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 2hau_1_A DATA FIRST_RESID 4 DATA SEQUENCE KTVRWcAVSE HEATKcQSFR DHXKSVIPSD GPSVAcVKKA SYLDcIRAIA DATA SEQUENCE ANEADAVTLD AGLVYDAYLA PNNLKPVVAE FYGSKEDPQT FYYAVAVVKK DATA SEQUENCE DSGFQXNQLR GKKScHTGLG RSAGWNIPIG LLYcDLPEPR KPLEKAVANF DATA SEQUENCE FSGScAPcAD GTDFPQLcQL cPGcGcSTLN QYFGYSGAFK cLKDGAGDVA DATA SEQUENCE FVKHSTIFEN LANKADRDQY ELLcLDNTRK PVDEYKDcHL AQVPSHTVVA DATA SEQUENCE RSXGGKEDLI WELLNQAQEH FGKDKSKEFQ LFSSPHGKDL LFKDSAHGFL DATA SEQUENCE KVPPRXDAKX YLGYEYVTAI RNLREGTcPE APTDEcKPVK WcALSHHERL DATA SEQUENCE KcDEWSVNSV GKIEcVSAET TEDcIAKIXN GEADAXSLDG GFVYIAGKcG DATA SEQUENCE LVPVLAENYD KSDNcEDTPE AGYFAVAVVK KSASDLTWDN LKGKKScHTA DATA SEQUENCE VGRTAGWNIP XGLLYNKINH cRFDEFFSEG cAPGSKKDSS LcKLcXGSGL DATA SEQUENCE NLcEPNNKEG YYGYTGAFRc LVEKGDVAFV KHQTVPQNTG GKNPDPWAKN DATA SEQUENCE LNEKDYELLc LDGTRKPVEE YANcHLARAP NHAVVTRKDK EAcVHKILRQ DATA SEQUENCE QQHLFGSDVT DcSGNFcLFR SETKDLLFRD DTVcLAKLHD RNTYEKYLGE DATA SEQUENCE EYVKAVGNLR KcSTSSLLEA cTFRRP 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.630 176.600 0.050 0.000 0.988 4 K CA 0.000 56.311 56.287 0.041 0.000 0.838 4 K CB 0.000 32.525 32.500 0.042 0.000 1.064 5 T N 0.259 114.844 114.554 0.052 0.000 2.767 5 T HA 0.520 4.870 4.350 0.000 0.000 0.288 5 T C -0.621 174.133 174.700 0.091 0.000 0.963 5 T CA -0.443 61.697 62.100 0.066 0.000 1.019 5 T CB 0.492 69.392 68.868 0.053 0.000 0.923 5 T HN 0.155 nan 8.240 nan 0.000 0.468 6 V N 7.276 127.271 119.914 0.135 0.000 2.383 6 V HA 0.401 4.521 4.120 0.000 0.000 0.275 6 V C 0.606 176.830 176.094 0.216 0.000 1.036 6 V CA -0.714 61.695 62.300 0.182 0.000 0.889 6 V CB 0.824 32.811 31.823 0.273 0.000 0.985 6 V HN 0.828 nan 8.190 nan 0.000 0.459 7 R N 5.097 125.689 120.500 0.153 0.000 2.248 7 R HA 0.170 4.510 4.340 0.000 0.000 0.337 7 R C -0.103 176.300 176.300 0.170 0.000 1.106 7 R CA -0.210 55.980 56.100 0.151 0.000 0.959 7 R CB 0.651 30.996 30.300 0.075 0.000 1.075 7 R HN 0.724 nan 8.270 nan 0.000 0.480 8 W N 3.278 124.631 121.300 0.087 0.000 2.086 8 W HA 0.234 4.894 4.660 0.001 0.000 0.355 8 W C -0.475 176.066 176.519 0.036 0.000 1.313 8 W CA -0.550 56.836 57.345 0.068 0.000 1.358 8 W CB 1.424 30.937 29.460 0.089 0.000 1.166 8 W HN 0.358 nan 8.180 nan 0.000 0.630 9 c N 3.802 122.303 118.600 -0.165 0.000 2.407 9 c HA 0.690 5.260 4.570 0.000 0.000 0.328 9 c C 0.142 174.297 174.090 0.107 0.000 1.137 9 c CA -0.396 55.918 56.329 -0.024 0.000 1.390 9 c CB -0.660 41.766 42.510 -0.140 0.000 1.989 9 c HN 0.589 nan 8.230 nan 0.000 0.432 10 A N 3.642 126.554 122.820 0.153 0.000 2.295 10 A HA 0.678 4.998 4.320 0.000 0.000 0.318 10 A C 0.473 178.070 177.584 0.021 0.000 1.134 10 A CA -0.084 52.028 52.037 0.124 0.000 0.827 10 A CB 0.835 19.910 19.000 0.126 0.000 1.136 10 A HN 1.749 nan 8.150 nan 0.000 0.493 11 V N -0.490 119.398 119.914 -0.043 0.000 2.940 11 V HA 0.581 4.701 4.120 0.000 0.000 0.366 11 V C -0.095 175.921 176.094 -0.130 0.000 1.353 11 V CA 0.506 62.711 62.300 -0.158 0.000 1.232 11 V CB -1.532 30.025 31.823 -0.445 0.000 1.278 11 V HN 1.536 nan 8.190 nan 0.000 0.546 12 S N -2.159 113.507 115.700 -0.057 0.000 2.614 12 S HA 0.366 4.836 4.470 0.000 0.000 0.280 12 S C 0.179 174.766 174.600 -0.021 0.000 1.111 12 S CA -0.158 58.008 58.200 -0.056 0.000 0.847 12 S CB 1.283 64.454 63.200 -0.049 0.000 1.079 12 S HN 0.241 nan 8.310 nan 0.000 0.452 13 E N 0.500 120.659 120.200 -0.069 0.000 2.085 13 E HA -0.200 4.150 4.350 0.000 0.000 0.194 13 E C 1.265 177.922 176.600 0.096 0.000 0.994 13 E CA 1.657 58.043 56.400 -0.024 0.000 0.801 13 E CB -0.342 29.313 29.700 -0.076 0.000 0.743 13 E HN 0.662 nan 8.360 nan 0.000 0.453 14 H N 0.869 120.006 119.070 0.111 0.000 2.267 14 H HA -0.120 4.436 4.556 0.000 0.000 0.297 14 H C 2.016 177.457 175.328 0.188 0.000 1.080 14 H CA 1.444 57.629 56.048 0.228 0.000 1.278 14 H CB -0.451 29.433 29.762 0.204 0.000 1.365 14 H HN 0.258 nan 8.280 nan 0.000 0.489 15 E N 0.319 120.658 120.200 0.231 0.000 2.209 15 E HA -0.120 4.230 4.350 0.000 0.000 0.196 15 E C 2.143 178.824 176.600 0.134 0.000 0.993 15 E CA 0.725 57.207 56.400 0.137 0.000 0.819 15 E CB 0.062 29.821 29.700 0.099 0.000 0.745 15 E HN 0.438 nan 8.360 nan 0.000 0.477 16 A N -0.134 122.765 122.820 0.131 0.000 1.970 16 A HA -0.082 4.238 4.320 0.000 0.000 0.216 16 A C 2.262 179.918 177.584 0.120 0.000 1.170 16 A CA 1.425 53.528 52.037 0.109 0.000 0.645 16 A CB -0.433 18.610 19.000 0.073 0.000 0.816 16 A HN 0.221 nan 8.150 nan 0.000 0.447 17 T N -0.146 114.507 114.554 0.165 0.000 2.737 17 T HA -0.133 4.217 4.350 0.000 0.000 0.265 17 T C 1.970 176.768 174.700 0.164 0.000 1.038 17 T CA 1.620 63.810 62.100 0.149 0.000 1.144 17 T CB -0.198 68.763 68.868 0.155 0.000 0.866 17 T HN 0.583 nan 8.240 nan 0.000 0.434 18 K N 0.278 120.830 120.400 0.253 0.000 2.218 18 K HA -0.142 4.178 4.320 0.000 0.000 0.205 18 K C 2.511 179.180 176.600 0.114 0.000 1.046 18 K CA 1.225 57.636 56.287 0.207 0.000 0.933 18 K CB -0.461 32.137 32.500 0.163 0.000 0.728 18 K HN 0.397 nan 8.250 nan 0.000 0.454 19 c N 1.087 119.741 118.600 0.089 0.000 2.450 19 c HA 0.036 4.606 4.570 0.000 0.000 0.279 19 c C 2.296 176.442 174.090 0.093 0.000 1.335 19 c CA 0.577 56.955 56.329 0.082 0.000 1.749 19 c CB -0.586 41.990 42.510 0.111 0.000 1.963 19 c HN 0.523 nan 8.230 nan 0.000 0.501 20 Q N 0.271 120.097 119.800 0.043 0.000 2.297 20 Q HA -0.060 4.280 4.340 0.000 0.000 0.204 20 Q C 2.278 178.208 176.000 -0.116 0.000 0.962 20 Q CA 1.624 57.419 55.803 -0.014 0.000 0.879 20 Q CB -0.021 28.709 28.738 -0.013 0.000 0.947 20 Q HN 0.690 nan 8.270 nan 0.000 0.462 21 S N 0.381 115.984 115.700 -0.162 0.000 2.414 21 S HA -0.058 4.412 4.470 0.000 0.000 0.227 21 S C 1.406 175.663 174.600 -0.572 0.000 1.022 21 S CA 0.353 58.314 58.200 -0.399 0.000 0.958 21 S CB -0.162 62.832 63.200 -0.342 0.000 0.797 21 S HN 0.334 nan 8.310 nan 0.000 0.493 22 F N 2.968 122.576 119.950 -0.571 0.000 2.234 22 F HA 0.056 4.583 4.527 0.000 0.000 0.299 22 F C 2.347 177.986 175.800 -0.268 0.000 1.087 22 F CA 1.003 58.722 58.000 -0.468 0.000 1.340 22 F CB -0.176 38.730 39.000 -0.158 0.000 1.031 22 F HN 0.020 nan 8.300 nan 0.000 0.500 23 R N 0.100 120.513 120.500 -0.146 0.000 2.073 23 R HA -0.114 4.226 4.340 0.000 0.000 0.229 23 R C 1.807 177.977 176.300 -0.215 0.000 1.120 23 R CA 1.837 57.845 56.100 -0.154 0.000 0.967 23 R CB -0.473 29.800 30.300 -0.044 0.000 0.862 23 R HN 0.169 nan 8.270 nan 0.000 0.436 24 D N 0.159 120.396 120.400 -0.273 0.000 2.097 24 D HA -0.100 4.540 4.640 0.000 0.000 0.197 24 D C 0.652 176.754 176.300 -0.330 0.000 0.984 24 D CA 1.000 54.818 54.000 -0.303 0.000 0.826 24 D CB -0.426 40.142 40.800 -0.388 0.000 0.973 24 D HN 0.280 nan 8.370 nan 0.000 0.460 28 S N -0.129 115.571 115.700 0.001 0.000 2.431 28 S HA 0.024 4.494 4.470 0.000 0.000 0.210 28 S C 1.582 176.178 174.600 -0.007 0.000 1.013 28 S CA 0.744 58.953 58.200 0.015 0.000 0.920 28 S CB -0.428 62.809 63.200 0.060 0.000 0.882 28 S HN -0.118 nan 8.310 nan 0.000 0.567 29 V N 2.549 122.460 119.914 -0.004 0.000 3.630 29 V HA 0.315 4.435 4.120 0.000 0.000 0.273 29 V C 0.084 176.049 176.094 -0.216 0.000 1.248 29 V CA 0.310 62.475 62.300 -0.225 0.000 1.170 29 V CB -1.046 30.453 31.823 -0.540 0.000 0.899 29 V HN 0.452 nan 8.190 nan 0.000 0.457 30 I N 2.671 123.221 120.570 -0.033 0.000 2.404 30 I HA 0.438 4.608 4.170 0.000 0.000 0.293 30 I C -1.855 174.272 176.117 0.016 0.000 0.992 30 I CA -2.635 58.687 61.300 0.037 0.000 1.149 30 I CB 1.719 39.754 38.000 0.058 0.000 1.315 30 I HN 0.125 nan 8.210 nan 0.000 0.446 31 P HA 0.017 nan 4.420 nan 0.000 0.270 31 P C 0.823 178.128 177.300 0.009 0.000 1.216 31 P CA 0.005 63.113 63.100 0.014 0.000 0.788 31 P CB 0.717 32.429 31.700 0.020 0.000 0.883 32 S N -0.448 115.255 115.700 0.005 0.000 2.402 32 S HA -0.175 4.295 4.470 0.000 0.000 0.233 32 S C 0.492 175.096 174.600 0.007 0.000 1.030 32 S CA 1.680 59.882 58.200 0.003 0.000 1.003 32 S CB -0.555 62.647 63.200 0.002 0.000 0.813 32 S HN 0.587 nan 8.310 nan 0.000 0.477 33 D N 0.118 120.525 120.400 0.011 0.000 2.517 33 D HA 0.510 5.150 4.640 0.000 0.000 0.301 33 D C 0.095 176.406 176.300 0.018 0.000 1.202 33 D CA -0.040 53.969 54.000 0.014 0.000 0.910 33 D CB 0.721 41.530 40.800 0.014 0.000 1.021 33 D HN 0.308 nan 8.370 nan 0.000 0.499 34 G N 0.642 109.453 108.800 0.019 0.000 3.211 34 G HA2 0.581 4.541 3.960 0.000 0.000 0.262 34 G HA3 0.581 4.541 3.960 0.000 0.000 0.262 34 G C -2.629 172.285 174.900 0.023 0.000 1.352 34 G CA -1.319 43.795 45.100 0.023 0.000 1.004 34 G HN 0.005 nan 8.290 nan 0.000 0.559 35 P HA 0.300 nan 4.420 nan 0.000 0.282 35 P C -0.320 176.989 177.300 0.016 0.000 1.274 35 P CA 0.114 63.232 63.100 0.030 0.000 0.770 35 P CB 1.493 33.211 31.700 0.030 0.000 0.867 36 S N 1.724 117.439 115.700 0.027 0.000 2.738 36 S HA 0.537 5.007 4.470 0.000 0.000 0.284 36 S C -0.216 174.411 174.600 0.045 0.000 1.146 36 S CA -0.641 57.565 58.200 0.011 0.000 0.997 36 S CB 1.332 64.543 63.200 0.018 0.000 1.081 36 S HN 0.475 nan 8.310 nan 0.000 0.553 37 V N 1.198 121.137 119.914 0.042 0.000 2.614 37 V HA 0.664 4.785 4.120 0.000 0.000 0.281 37 V C -0.346 175.837 176.094 0.148 0.000 1.031 37 V CA -0.449 61.937 62.300 0.144 0.000 0.899 37 V CB 0.481 32.410 31.823 0.177 0.000 1.037 37 V HN 1.034 nan 8.190 nan 0.000 0.456 38 A N 5.462 128.376 122.820 0.158 0.000 2.287 38 A HA 0.776 5.096 4.320 0.000 0.000 0.273 38 A C -0.033 177.658 177.584 0.178 0.000 1.091 38 A CA -0.187 51.927 52.037 0.128 0.000 0.817 38 A CB 0.858 19.916 19.000 0.097 0.000 1.069 38 A HN 1.157 nan 8.150 nan 0.000 0.492 39 c N 0.617 119.298 118.600 0.135 0.000 2.364 39 c HA 0.567 5.137 4.570 0.000 0.000 0.324 39 c C -0.348 173.806 174.090 0.106 0.000 1.234 39 c CA -0.566 55.856 56.329 0.154 0.000 1.417 39 c CB 0.391 42.982 42.510 0.134 0.000 2.101 39 c HN 0.545 nan 8.230 nan 0.000 0.466 40 V N 4.371 124.350 119.914 0.109 0.000 2.304 40 V HA 0.334 4.454 4.120 0.000 0.000 0.278 40 V C 0.244 176.371 176.094 0.055 0.000 1.018 40 V CA -0.416 61.922 62.300 0.063 0.000 0.814 40 V CB 0.985 32.832 31.823 0.040 0.000 1.021 40 V HN 0.806 nan 8.190 nan 0.000 0.440 41 K N 4.966 125.393 120.400 0.044 0.000 2.174 41 K HA 0.508 4.828 4.320 0.000 0.000 0.275 41 K C -0.601 176.003 176.600 0.005 0.000 1.015 41 K CA -0.480 55.824 56.287 0.030 0.000 0.933 41 K CB 0.917 33.432 32.500 0.025 0.000 1.025 41 K HN 0.423 nan 8.250 nan 0.000 0.463 42 K N 1.125 121.518 120.400 -0.011 0.000 2.399 42 K HA 0.373 4.693 4.320 0.000 0.000 0.260 42 K C 0.328 176.899 176.600 -0.048 0.000 1.049 42 K CA -0.495 55.776 56.287 -0.026 0.000 0.890 42 K CB 1.423 33.907 32.500 -0.026 0.000 1.430 42 K HN 0.598 nan 8.250 nan 0.000 0.459 43 A N 0.247 123.037 122.820 -0.049 0.000 1.930 43 A HA 0.012 4.332 4.320 0.000 0.000 0.215 43 A C 0.763 178.288 177.584 -0.098 0.000 1.176 43 A CA 1.828 53.828 52.037 -0.061 0.000 0.632 43 A CB -0.130 18.845 19.000 -0.041 0.000 0.819 43 A HN 0.677 nan 8.150 nan 0.000 0.445 44 S N -4.220 111.417 115.700 -0.106 0.000 2.752 44 S HA 0.525 4.996 4.470 0.000 0.000 0.284 44 S C 0.340 174.852 174.600 -0.147 0.000 1.189 44 S CA -0.375 57.722 58.200 -0.171 0.000 0.835 44 S CB -0.063 63.096 63.200 -0.068 0.000 1.192 44 S HN 0.074 nan 8.310 nan 0.000 0.506 45 Y N 0.705 121.017 120.300 0.020 0.000 2.145 45 Y HA 0.046 4.596 4.550 -0.000 0.000 0.286 45 Y C 2.362 178.262 175.900 0.001 0.000 1.145 45 Y CA 1.172 59.280 58.100 0.014 0.000 1.148 45 Y CB -0.543 37.938 38.460 0.034 0.000 0.981 45 Y HN 0.408 nan 8.280 nan 0.000 0.507 46 L N -0.005 121.318 121.223 0.166 0.000 2.187 46 L HA -0.226 4.114 4.340 0.000 0.000 0.213 46 L C 1.631 178.527 176.870 0.042 0.000 1.100 46 L CA 1.748 56.640 54.840 0.087 0.000 0.765 46 L CB -1.182 40.918 42.059 0.068 0.000 0.904 46 L HN 0.267 nan 8.230 nan 0.000 0.437 47 D N -1.185 119.232 120.400 0.027 0.000 2.162 47 D HA -0.091 4.549 4.640 0.000 0.000 0.203 47 D C 2.331 178.631 176.300 -0.001 0.000 0.967 47 D CA 0.805 54.807 54.000 0.003 0.000 0.840 47 D CB -0.025 40.768 40.800 -0.011 0.000 0.972 47 D HN 0.262 nan 8.370 nan 0.000 0.482 48 c N 0.494 119.100 118.600 0.010 0.000 2.429 48 c HA -0.051 4.519 4.570 0.000 0.000 0.277 48 c C 2.781 176.858 174.090 -0.022 0.000 1.262 48 c CA 0.043 56.368 56.329 -0.007 0.000 1.733 48 c CB -0.872 41.648 42.510 0.017 0.000 2.010 48 c HN 0.318 nan 8.230 nan 0.000 0.483 49 I N 0.424 120.996 120.570 0.003 0.000 2.076 49 I HA -0.253 3.917 4.170 0.000 0.000 0.237 49 I C 2.769 178.868 176.117 -0.030 0.000 1.059 49 I CA 1.690 62.979 61.300 -0.018 0.000 1.317 49 I CB -0.605 37.396 38.000 0.001 0.000 1.037 49 I HN 0.300 nan 8.210 nan 0.000 0.398 50 R N 0.685 121.173 120.500 -0.019 0.000 2.117 50 R HA -0.185 4.156 4.340 0.000 0.000 0.243 50 R C 2.391 178.674 176.300 -0.029 0.000 1.143 50 R CA 1.519 57.604 56.100 -0.025 0.000 0.968 50 R CB -0.536 29.754 30.300 -0.018 0.000 0.863 50 R HN 0.439 nan 8.270 nan 0.000 0.444 51 A N 1.077 123.880 122.820 -0.028 0.000 1.933 51 A HA -0.130 4.190 4.320 0.000 0.000 0.218 51 A C 2.122 179.682 177.584 -0.040 0.000 1.175 51 A CA 1.180 53.199 52.037 -0.030 0.000 0.628 51 A CB -0.383 18.600 19.000 -0.028 0.000 0.814 51 A HN 0.189 nan 8.150 nan 0.000 0.444 52 I N -0.324 120.213 120.570 -0.055 0.000 2.315 52 I HA -0.231 3.939 4.170 0.000 0.000 0.248 52 I C 2.912 178.997 176.117 -0.053 0.000 1.117 52 I CA 0.866 62.126 61.300 -0.067 0.000 1.404 52 I CB -0.266 37.676 38.000 -0.096 0.000 1.071 52 I HN 0.346 nan 8.210 nan 0.000 0.419 53 A N 0.729 123.519 122.820 -0.049 0.000 1.940 53 A HA -0.134 4.186 4.320 0.000 0.000 0.219 53 A C 2.312 179.874 177.584 -0.037 0.000 1.176 53 A CA 1.843 53.853 52.037 -0.045 0.000 0.631 53 A CB -0.639 18.333 19.000 -0.046 0.000 0.814 53 A HN 0.431 nan 8.150 nan 0.000 0.446 54 A N -1.601 121.199 122.820 -0.032 0.000 2.278 54 A HA 0.296 4.616 4.320 0.000 0.000 0.212 54 A C 0.890 178.461 177.584 -0.022 0.000 1.213 54 A CA 0.761 52.782 52.037 -0.026 0.000 0.840 54 A CB -0.663 18.323 19.000 -0.022 0.000 0.866 54 A HN 0.705 nan 8.150 nan 0.000 0.489 55 N N -0.778 117.907 118.700 -0.026 0.000 2.741 55 N HA -0.186 4.554 4.740 0.000 0.000 0.250 55 N C 0.537 176.038 175.510 -0.015 0.000 1.115 55 N CA 1.477 54.514 53.050 -0.021 0.000 0.724 55 N CB -1.304 37.174 38.487 -0.015 0.000 1.090 55 N HN 0.727 nan 8.380 nan 0.000 0.558 56 E N -1.337 118.852 120.200 -0.018 0.000 2.340 56 E HA 0.280 4.630 4.350 0.000 0.000 0.194 56 E C 0.501 177.094 176.600 -0.012 0.000 0.996 56 E CA 0.864 57.257 56.400 -0.011 0.000 0.869 56 E CB 0.372 30.065 29.700 -0.012 0.000 0.835 56 E HN 0.461 nan 8.360 nan 0.000 0.493 57 A N 0.525 123.328 122.820 -0.027 0.000 2.423 57 A HA 0.354 4.674 4.320 0.000 0.000 0.304 57 A C -0.416 177.132 177.584 -0.060 0.000 1.104 57 A CA -0.680 51.332 52.037 -0.043 0.000 0.757 57 A CB 1.433 20.391 19.000 -0.069 0.000 1.313 57 A HN -0.099 nan 8.150 nan 0.000 0.423 58 D N -0.306 120.049 120.400 -0.075 0.000 2.422 58 D HA 0.420 5.060 4.640 0.000 0.000 0.218 58 D C 0.442 176.640 176.300 -0.170 0.000 1.047 58 D CA 1.420 55.373 54.000 -0.079 0.000 0.885 58 D CB 1.064 41.858 40.800 -0.011 0.000 1.035 58 D HN 0.799 nan 8.370 nan 0.000 0.502 59 A N 0.268 122.886 122.820 -0.337 0.000 2.601 59 A HA 0.595 4.915 4.320 0.000 0.000 0.291 59 A C -1.653 175.336 177.584 -0.992 0.000 1.075 59 A CA -0.503 51.184 52.037 -0.584 0.000 0.671 59 A CB 1.896 20.527 19.000 -0.615 0.000 1.277 59 A HN -0.055 nan 8.150 nan 0.000 0.417 60 V N -0.393 119.016 119.914 -0.842 0.000 3.258 60 V HA 0.819 4.939 4.120 0.000 0.000 0.299 60 V C -1.210 174.675 176.094 -0.349 0.000 1.376 60 V CA -0.113 61.781 62.300 -0.677 0.000 1.063 60 V CB 2.516 34.170 31.823 -0.282 0.000 1.103 60 V HN 1.303 nan 8.190 nan 0.000 0.451 61 T N 4.734 119.214 114.554 -0.122 0.000 2.792 61 T HA 0.793 5.143 4.350 0.000 0.000 0.280 61 T C -0.797 173.728 174.700 -0.293 0.000 0.990 61 T CA -0.254 61.742 62.100 -0.173 0.000 0.960 61 T CB 0.983 69.790 68.868 -0.101 0.000 0.939 61 T HN 0.587 nan 8.240 nan 0.000 0.439 62 L N 1.547 122.565 121.223 -0.342 0.000 2.376 62 L HA 0.638 4.979 4.340 0.000 0.000 0.258 62 L C -0.515 176.296 176.870 -0.098 0.000 1.013 62 L CA -1.418 53.264 54.840 -0.264 0.000 0.822 62 L CB 1.689 43.627 42.059 -0.202 0.000 1.388 62 L HN 0.393 nan 8.230 nan 0.000 0.413 63 D N 0.036 120.433 120.400 -0.006 0.000 2.411 63 D HA 0.336 4.976 4.640 0.000 0.000 0.251 63 D C 0.844 177.185 176.300 0.068 0.000 1.201 63 D CA 0.195 54.261 54.000 0.109 0.000 0.996 63 D CB 1.281 42.147 40.800 0.110 0.000 1.101 63 D HN 0.648 nan 8.370 nan 0.000 0.504 64 A N 0.748 123.608 122.820 0.067 0.000 1.859 64 A HA -0.150 4.170 4.320 0.000 0.000 0.217 64 A C 2.094 179.781 177.584 0.173 0.000 1.198 64 A CA 2.580 54.610 52.037 -0.011 0.000 0.629 64 A CB -1.414 17.444 19.000 -0.238 0.000 0.830 64 A HN 0.624 nan 8.150 nan 0.000 0.446 65 G N -0.364 108.591 108.800 0.257 0.000 2.599 65 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 65 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 65 G C 1.308 176.347 174.900 0.232 0.000 1.193 65 G CA 1.232 46.494 45.100 0.270 0.000 0.778 65 G HN 0.378 nan 8.290 nan 0.000 0.589 66 L N 0.614 121.914 121.223 0.129 0.000 2.465 66 L HA 0.083 4.423 4.340 0.000 0.000 0.224 66 L C 2.909 179.829 176.870 0.084 0.000 1.145 66 L CA 0.572 55.462 54.840 0.084 0.000 0.834 66 L CB -0.472 41.570 42.059 -0.030 0.000 0.944 66 L HN 0.137 nan 8.230 nan 0.000 0.451 67 V N -0.963 119.017 119.914 0.110 0.000 2.379 67 V HA -0.293 3.827 4.120 0.000 0.000 0.245 67 V C 2.258 178.458 176.094 0.176 0.000 1.044 67 V CA 1.275 63.635 62.300 0.098 0.000 1.036 67 V CB -0.438 31.439 31.823 0.089 0.000 0.664 67 V HN 0.390 nan 8.190 nan 0.000 0.453 68 Y N 1.135 121.516 120.300 0.135 0.000 2.242 68 Y HA -0.212 4.338 4.550 0.000 0.000 0.291 68 Y C 2.341 178.360 175.900 0.199 0.000 1.137 68 Y CA 1.850 60.065 58.100 0.192 0.000 1.181 68 Y CB -0.303 38.297 38.460 0.233 0.000 0.989 68 Y HN 0.345 nan 8.280 nan 0.000 0.527 69 D N 0.050 120.543 120.400 0.154 0.000 2.144 69 D HA -0.164 4.476 4.640 0.000 0.000 0.199 69 D C 2.117 178.402 176.300 -0.025 0.000 0.984 69 D CA 1.399 55.418 54.000 0.032 0.000 0.834 69 D CB -0.219 40.633 40.800 0.087 0.000 0.955 69 D HN 0.503 nan 8.370 nan 0.000 0.465 70 A N 0.147 122.975 122.820 0.013 0.000 2.066 70 A HA -0.154 4.166 4.320 0.000 0.000 0.218 70 A C 1.967 179.547 177.584 -0.007 0.000 1.157 70 A CA 0.596 52.628 52.037 -0.009 0.000 0.670 70 A CB -0.604 18.390 19.000 -0.010 0.000 0.804 70 A HN 0.350 nan 8.150 nan 0.000 0.453 71 Y N 0.662 120.878 120.300 -0.141 0.000 2.220 71 Y HA 0.170 4.721 4.550 0.000 0.000 0.291 71 Y C 0.591 176.381 175.900 -0.183 0.000 1.129 71 Y CA 0.116 58.125 58.100 -0.151 0.000 1.161 71 Y CB -0.396 37.971 38.460 -0.155 0.000 0.997 71 Y HN 0.136 nan 8.280 nan 0.000 0.522 72 L N 1.988 122.898 121.223 -0.522 0.000 2.543 72 L HA 0.086 4.426 4.340 0.000 0.000 0.285 72 L C 0.864 177.499 176.870 -0.391 0.000 1.236 72 L CA 0.109 54.596 54.840 -0.590 0.000 0.871 72 L CB -0.137 41.696 42.059 -0.377 0.000 1.121 72 L HN 0.319 nan 8.230 nan 0.000 0.501 73 A N 5.656 128.260 122.820 -0.360 0.000 2.406 73 A HA 0.325 4.645 4.320 0.000 0.000 0.243 73 A C -0.996 176.494 177.584 -0.157 0.000 1.082 73 A CA -0.895 51.008 52.037 -0.224 0.000 0.786 73 A CB -0.180 18.709 19.000 -0.185 0.000 1.029 73 A HN 0.752 nan 8.150 nan 0.000 0.495 74 P HA -0.046 nan 4.420 nan 0.000 0.236 74 P C 0.506 177.748 177.300 -0.096 0.000 1.177 74 P CA 0.713 63.755 63.100 -0.097 0.000 0.773 74 P CB -0.074 31.585 31.700 -0.069 0.000 0.878 75 N N 1.184 119.823 118.700 -0.102 0.000 2.043 75 N HA -0.188 4.552 4.740 0.000 0.000 0.193 75 N C 0.757 176.211 175.510 -0.093 0.000 1.037 75 N CA 0.799 53.796 53.050 -0.088 0.000 0.851 75 N CB -0.798 37.639 38.487 -0.084 0.000 1.027 75 N HN 0.207 nan 8.380 nan 0.000 0.422 76 N N 0.450 119.069 118.700 -0.135 0.000 2.650 76 N HA -0.193 4.547 4.740 0.000 0.000 0.272 76 N C -1.292 174.188 175.510 -0.050 0.000 1.058 76 N CA -0.202 52.778 53.050 -0.117 0.000 0.765 76 N CB -0.745 37.675 38.487 -0.112 0.000 0.902 76 N HN 0.196 nan 8.380 nan 0.000 0.551 77 L N 1.065 122.274 121.223 -0.023 0.000 2.313 77 L HA 0.606 4.946 4.340 0.000 0.000 0.268 77 L C 0.111 176.983 176.870 0.003 0.000 1.010 77 L CA -0.920 53.904 54.840 -0.025 0.000 0.814 77 L CB 1.782 43.814 42.059 -0.046 0.000 1.304 77 L HN 0.300 nan 8.230 nan 0.000 0.441 78 K N 0.071 120.446 120.400 -0.040 0.000 2.444 78 K HA 0.634 4.954 4.320 0.000 0.000 0.252 78 K C -2.939 173.577 176.600 -0.140 0.000 0.993 78 K CA -1.914 54.332 56.287 -0.068 0.000 0.847 78 K CB 1.918 34.374 32.500 -0.072 0.000 1.340 78 K HN 0.142 nan 8.250 nan 0.000 0.446 79 P HA -0.003 nan 4.420 nan 0.000 0.282 79 P C 0.411 177.501 177.300 -0.350 0.000 1.274 79 P CA -0.503 62.385 63.100 -0.352 0.000 0.770 79 P CB 1.269 32.557 31.700 -0.686 0.000 0.867 80 V N 1.788 121.552 119.914 -0.250 0.000 3.612 80 V HA 0.276 4.396 4.120 0.000 0.000 0.268 80 V C 0.311 176.299 176.094 -0.177 0.000 1.365 80 V CA 0.169 62.346 62.300 -0.205 0.000 1.044 80 V CB 0.479 32.238 31.823 -0.107 0.000 0.820 80 V HN 0.207 nan 8.190 nan 0.000 0.444 81 V N 0.753 120.593 119.914 -0.123 0.000 2.752 81 V HA 0.887 5.007 4.120 0.000 0.000 0.302 81 V C -0.124 176.009 176.094 0.065 0.000 1.133 81 V CA -0.104 62.195 62.300 -0.002 0.000 0.919 81 V CB 1.173 33.059 31.823 0.105 0.000 1.026 81 V HN 0.569 nan 8.190 nan 0.000 0.429 82 A N 3.621 126.556 122.820 0.191 0.000 2.313 82 A HA 0.969 5.289 4.320 0.000 0.000 0.323 82 A C -0.512 177.308 177.584 0.393 0.000 1.133 82 A CA -0.684 51.521 52.037 0.280 0.000 0.847 82 A CB 1.264 20.493 19.000 0.381 0.000 1.308 82 A HN 0.841 nan 8.150 nan 0.000 0.475 83 E N -0.108 120.259 120.200 0.277 0.000 2.212 83 E HA 0.554 4.904 4.350 0.000 0.000 0.268 83 E C -1.295 175.147 176.600 -0.262 0.000 0.902 83 E CA -0.365 56.076 56.400 0.069 0.000 0.779 83 E CB 1.914 31.590 29.700 -0.040 0.000 1.172 83 E HN 0.554 nan 8.360 nan 0.000 0.409 84 F N -0.984 118.648 119.950 -0.530 0.000 2.541 84 F HA 0.565 5.092 4.527 0.000 0.000 0.331 84 F C -0.513 174.695 175.800 -0.985 0.000 1.057 84 F CA -1.106 56.544 58.000 -0.583 0.000 0.975 84 F CB 0.776 39.639 39.000 -0.230 0.000 1.246 84 F HN 0.343 nan 8.300 nan 0.000 0.484 85 Y N 0.902 121.141 120.300 -0.102 0.000 2.634 85 Y HA 0.658 5.208 4.550 0.000 0.000 0.292 85 Y C 0.493 176.066 175.900 -0.546 0.000 0.996 85 Y CA -0.561 57.282 58.100 -0.429 0.000 1.165 85 Y CB 0.776 39.073 38.460 -0.271 0.000 1.194 85 Y HN 1.028 nan 8.280 nan 0.000 0.585 86 G N -0.198 108.506 108.800 -0.160 0.000 2.894 86 G HA2 0.448 4.408 3.960 0.000 0.000 0.164 86 G HA3 0.448 4.408 3.960 0.000 0.000 0.164 86 G C -0.858 174.196 174.900 0.255 0.000 1.180 86 G CA -0.422 44.661 45.100 -0.028 0.000 0.997 86 G HN 0.093 nan 8.290 nan 0.000 0.572 87 S N -0.629 115.175 115.700 0.174 0.000 2.722 87 S HA 0.478 4.948 4.470 0.000 0.000 0.292 87 S C 0.623 175.217 174.600 -0.009 0.000 1.135 87 S CA -0.540 57.751 58.200 0.151 0.000 1.003 87 S CB 2.258 65.508 63.200 0.083 0.000 1.067 87 S HN 0.511 nan 8.310 nan 0.000 0.546 88 K N 0.689 121.054 120.400 -0.060 0.000 2.574 88 K HA -0.053 4.267 4.320 0.000 0.000 0.193 88 K C 1.489 178.006 176.600 -0.137 0.000 1.035 88 K CA 0.971 57.140 56.287 -0.197 0.000 0.982 88 K CB -0.077 32.359 32.500 -0.105 0.000 0.795 88 K HN 0.796 nan 8.250 nan 0.000 0.491 89 E N -0.857 119.297 120.200 -0.076 0.000 2.256 89 E HA -0.044 4.306 4.350 0.000 0.000 0.198 89 E C 0.189 176.759 176.600 -0.051 0.000 0.908 89 E CA 0.177 56.546 56.400 -0.051 0.000 0.915 89 E CB 0.089 29.778 29.700 -0.019 0.000 0.890 89 E HN -0.029 nan 8.360 nan 0.000 0.484 90 D N 2.483 122.865 120.400 -0.030 0.000 2.514 90 D HA 0.145 4.785 4.640 0.000 0.000 0.267 90 D C -1.545 174.759 176.300 0.007 0.000 1.165 90 D CA -2.725 51.272 54.000 -0.006 0.000 0.958 90 D CB 1.222 42.033 40.800 0.018 0.000 0.992 90 D HN -0.109 nan 8.370 nan 0.000 0.506 91 P HA -0.192 nan 4.420 nan 0.000 0.215 91 P C -0.080 177.294 177.300 0.124 0.000 1.157 91 P CA 0.921 63.999 63.100 -0.037 0.000 0.868 91 P CB 0.178 31.761 31.700 -0.196 0.000 0.788 92 Q N -1.448 118.419 119.800 0.111 0.000 2.463 92 Q HA -0.126 4.214 4.340 0.000 0.000 0.299 92 Q C 0.515 176.652 176.000 0.228 0.000 1.353 92 Q CA 0.596 56.508 55.803 0.181 0.000 0.828 92 Q CB -2.364 26.488 28.738 0.189 0.000 1.157 92 Q HN 0.255 nan 8.270 nan 0.000 0.436 93 T N -0.933 113.699 114.554 0.130 0.000 2.995 93 T HA 0.011 4.361 4.350 0.000 0.000 0.269 93 T C 0.280 174.790 174.700 -0.317 0.000 1.091 93 T CA 1.117 63.179 62.100 -0.063 0.000 1.128 93 T CB 0.034 68.751 68.868 -0.251 0.000 0.891 93 T HN 0.257 nan 8.240 nan 0.000 0.492 94 F N -0.282 119.631 119.950 -0.061 0.000 2.661 94 F HA 0.616 5.143 4.527 0.000 0.000 0.347 94 F C -0.457 175.190 175.800 -0.254 0.000 1.086 94 F CA -2.017 55.827 58.000 -0.260 0.000 1.016 94 F CB 1.120 39.788 39.000 -0.552 0.000 1.368 94 F HN 0.034 nan 8.300 nan 0.000 0.505 95 Y N -1.500 118.629 120.300 -0.284 0.000 2.581 95 Y HA 0.750 5.300 4.550 0.000 0.000 0.345 95 Y C -2.284 173.276 175.900 -0.566 0.000 1.036 95 Y CA -2.331 55.584 58.100 -0.308 0.000 1.042 95 Y CB 0.909 39.378 38.460 0.014 0.000 1.289 95 Y HN 0.471 nan 8.280 nan 0.000 0.471 96 Y N 1.460 121.754 120.300 -0.010 0.000 2.341 96 Y HA 0.716 5.266 4.550 0.000 0.000 0.338 96 Y C 0.027 176.048 175.900 0.203 0.000 0.965 96 Y CA -1.125 56.935 58.100 -0.065 0.000 1.108 96 Y CB 2.132 40.482 38.460 -0.183 0.000 1.180 96 Y HN 0.947 nan 8.280 nan 0.000 0.458 97 A N 4.165 127.148 122.820 0.271 0.000 2.376 97 A HA 0.557 4.877 4.320 0.000 0.000 0.298 97 A C 0.014 177.786 177.584 0.312 0.000 1.271 97 A CA -0.403 51.831 52.037 0.328 0.000 0.926 97 A CB -0.848 18.311 19.000 0.266 0.000 1.141 97 A HN 0.642 nan 8.150 nan 0.000 0.539 98 V N -0.442 119.647 119.914 0.291 0.000 3.267 98 V HA 0.943 5.063 4.120 0.000 0.000 0.317 98 V C 0.310 176.549 176.094 0.242 0.000 1.131 98 V CA -0.504 61.948 62.300 0.252 0.000 1.031 98 V CB 1.650 33.593 31.823 0.200 0.000 1.159 98 V HN 1.378 nan 8.190 nan 0.000 0.454 99 A N 1.058 123.993 122.820 0.193 0.000 2.943 99 A HA 0.686 5.006 4.320 0.000 0.000 0.327 99 A C -0.447 177.163 177.584 0.044 0.000 1.141 99 A CA -0.443 51.675 52.037 0.137 0.000 0.773 99 A CB 0.237 19.388 19.000 0.251 0.000 1.143 99 A HN 1.018 nan 8.150 nan 0.000 0.463 100 V N 1.933 121.846 119.914 -0.001 0.000 2.788 100 V HA 0.322 4.442 4.120 0.000 0.000 0.307 100 V C 0.839 176.969 176.094 0.060 0.000 1.069 100 V CA 0.691 62.998 62.300 0.012 0.000 1.173 100 V CB 0.549 32.331 31.823 -0.067 0.000 0.925 100 V HN 1.062 nan 8.190 nan 0.000 0.492 101 V N 1.532 121.513 119.914 0.112 0.000 3.103 101 V HA 0.720 4.840 4.120 0.000 0.000 0.311 101 V C -0.751 175.437 176.094 0.156 0.000 1.322 101 V CA -1.344 61.027 62.300 0.119 0.000 1.063 101 V CB 2.306 34.117 31.823 -0.020 0.000 1.090 101 V HN 0.575 nan 8.190 nan 0.000 0.462 102 K N 1.224 121.674 120.400 0.083 0.000 2.172 102 K HA 0.454 4.775 4.320 0.000 0.000 0.276 102 K C -0.441 176.123 176.600 -0.061 0.000 1.013 102 K CA -0.697 55.595 56.287 0.008 0.000 0.913 102 K CB 1.512 34.020 32.500 0.014 0.000 1.055 102 K HN 0.806 nan 8.250 nan 0.000 0.461 103 K N 2.050 122.395 120.400 -0.092 0.000 2.466 103 K HA -0.139 4.181 4.320 0.000 0.000 0.278 103 K C -0.720 175.834 176.600 -0.078 0.000 1.048 103 K CA 1.008 57.244 56.287 -0.086 0.000 1.088 103 K CB -0.364 32.080 32.500 -0.094 0.000 0.884 103 K HN 0.649 nan 8.250 nan 0.000 0.478 104 D N 2.394 122.744 120.400 -0.083 0.000 2.945 104 D HA -0.215 4.425 4.640 0.000 0.000 0.225 104 D C 0.332 176.594 176.300 -0.063 0.000 1.158 104 D CA 1.204 55.161 54.000 -0.070 0.000 0.805 104 D CB -1.039 39.733 40.800 -0.046 0.000 1.098 104 D HN 0.594 nan 8.370 nan 0.000 0.426 105 S N -0.878 114.760 115.700 -0.104 0.000 2.381 105 S HA -0.085 4.385 4.470 0.000 0.000 0.230 105 S C 2.046 176.682 174.600 0.060 0.000 1.052 105 S CA 1.740 59.922 58.200 -0.030 0.000 1.068 105 S CB -0.209 62.888 63.200 -0.172 0.000 0.918 105 S HN 0.946 nan 8.310 nan 0.000 0.448 106 G N 0.323 109.098 108.800 -0.042 0.000 2.159 106 G HA2 -0.127 3.833 3.960 0.000 0.000 0.170 106 G HA3 -0.127 3.833 3.960 0.000 0.000 0.170 106 G C -0.114 174.878 174.900 0.153 0.000 1.007 106 G CA -0.097 45.039 45.100 0.061 0.000 0.672 106 G HN 0.687 nan 8.290 nan 0.000 0.507 107 F N -1.090 118.866 119.950 0.009 0.000 2.643 107 F HA 0.943 5.470 4.527 0.000 0.000 0.314 107 F C -0.444 175.373 175.800 0.028 0.000 1.096 107 F CA -1.549 56.460 58.000 0.015 0.000 0.953 107 F CB 1.014 40.023 39.000 0.014 0.000 1.345 107 F HN 0.046 nan 8.300 nan 0.000 0.468 111 Q N 0.800 120.689 119.800 0.149 0.000 3.316 111 Q HA 0.343 4.683 4.340 0.000 0.000 0.295 111 Q C -0.441 175.599 176.000 0.067 0.000 0.805 111 Q CA -0.475 55.388 55.803 0.101 0.000 0.914 111 Q CB 0.420 29.215 28.738 0.094 0.000 1.514 111 Q HN 0.238 nan 8.270 nan 0.000 0.387 112 L N -0.170 121.075 121.223 0.036 0.000 2.354 112 L HA 0.201 4.541 4.340 0.000 0.000 0.212 112 L C 1.063 177.577 176.870 -0.593 0.000 1.091 112 L CA -0.366 54.385 54.840 -0.149 0.000 0.828 112 L CB 0.223 42.358 42.059 0.127 0.000 0.973 112 L HN 0.381 nan 8.230 nan 0.000 0.461 113 R N 2.011 122.067 120.500 -0.741 0.000 2.489 113 R HA -0.048 4.292 4.340 0.000 0.000 0.287 113 R C 0.656 176.588 176.300 -0.614 0.000 0.902 113 R CA 0.680 56.199 56.100 -0.967 0.000 1.136 113 R CB -0.683 29.372 30.300 -0.408 0.000 0.872 113 R HN 0.376 nan 8.270 nan 0.000 0.421 114 G N 2.467 110.900 108.800 -0.612 0.000 2.326 114 G HA2 -0.280 3.680 3.960 0.000 0.000 0.286 114 G HA3 -0.280 3.680 3.960 0.000 0.000 0.286 114 G C -0.528 174.212 174.900 -0.266 0.000 1.096 114 G CA 0.491 45.399 45.100 -0.320 0.000 1.003 114 G HN 0.688 nan 8.290 nan 0.000 0.503 115 K N -0.842 119.414 120.400 -0.241 0.000 2.439 115 K HA 0.756 5.076 4.320 0.000 0.000 0.260 115 K C -0.212 176.446 176.600 0.097 0.000 1.032 115 K CA -0.842 55.365 56.287 -0.133 0.000 0.882 115 K CB 1.280 33.626 32.500 -0.256 0.000 1.420 115 K HN 0.112 nan 8.250 nan 0.000 0.455 116 K N 0.743 121.156 120.400 0.022 0.000 2.339 116 K HA 0.447 4.767 4.320 0.000 0.000 0.264 116 K C -1.122 175.440 176.600 -0.063 0.000 0.986 116 K CA -0.466 55.838 56.287 0.028 0.000 0.866 116 K CB 1.362 33.857 32.500 -0.008 0.000 1.103 116 K HN 0.695 nan 8.250 nan 0.000 0.441 117 S N 0.772 116.369 115.700 -0.172 0.000 2.621 117 S HA 0.536 5.006 4.470 0.000 0.000 0.302 117 S C -0.472 173.945 174.600 -0.305 0.000 1.093 117 S CA -0.909 57.032 58.200 -0.433 0.000 1.017 117 S CB 1.245 63.832 63.200 -1.022 0.000 1.077 117 S HN 0.547 nan 8.310 nan 0.000 0.517 118 c N 2.474 120.835 118.600 -0.398 0.000 2.335 118 c HA 0.576 5.146 4.570 0.000 0.000 0.318 118 c C -0.467 173.536 174.090 -0.145 0.000 1.150 118 c CA -0.701 55.518 56.329 -0.184 0.000 1.466 118 c CB -1.529 40.870 42.510 -0.186 0.000 2.024 118 c HN 0.918 nan 8.230 nan 0.000 0.429 119 H N 0.100 119.233 119.070 0.105 0.000 2.472 119 H HA 0.352 4.908 4.556 0.000 0.000 0.335 119 H C 1.507 176.865 175.328 0.051 0.000 1.136 119 H CA -0.252 55.910 56.048 0.190 0.000 1.264 119 H CB 0.816 30.779 29.762 0.334 0.000 1.486 119 H HN 0.606 nan 8.280 nan 0.000 0.517 120 T N -0.593 114.017 114.554 0.093 0.000 3.155 120 T HA 0.238 4.589 4.350 0.000 0.000 0.264 120 T C 0.823 175.361 174.700 -0.271 0.000 1.160 120 T CA 0.330 62.316 62.100 -0.191 0.000 1.075 120 T CB -0.603 67.989 68.868 -0.460 0.000 0.921 120 T HN 0.977 nan 8.240 nan 0.000 0.533 121 G N 0.573 109.339 108.800 -0.057 0.000 2.634 121 G HA2 0.202 4.163 3.960 0.000 0.000 0.568 121 G HA3 0.202 4.163 3.960 0.000 0.000 0.568 121 G C -0.899 173.918 174.900 -0.140 0.000 1.495 121 G CA -0.765 44.280 45.100 -0.091 0.000 0.903 121 G HN 0.595 nan 8.290 nan 0.000 0.646 122 L N 2.209 123.229 121.223 -0.338 0.000 2.514 122 L HA 0.447 4.787 4.340 0.000 0.000 0.280 122 L C 1.611 178.174 176.870 -0.512 0.000 1.223 122 L CA 2.000 56.349 54.840 -0.818 0.000 0.864 122 L CB 0.721 42.161 42.059 -1.030 0.000 1.118 122 L HN 2.551 nan 8.230 nan 0.000 0.494 123 G N 3.155 111.628 108.800 -0.545 0.000 2.225 123 G HA2 -0.284 3.676 3.960 0.000 0.000 0.254 123 G HA3 -0.284 3.676 3.960 0.000 0.000 0.254 123 G C 0.503 175.411 174.900 0.014 0.000 0.988 123 G CA 0.324 45.336 45.100 -0.147 0.000 0.625 123 G HN 0.667 nan 8.290 nan 0.000 0.527 124 R N 0.883 121.394 120.500 0.018 0.000 2.615 124 R HA 0.590 4.931 4.340 0.000 0.000 0.270 124 R C 1.631 178.022 176.300 0.151 0.000 1.081 124 R CA 0.202 56.330 56.100 0.047 0.000 1.154 124 R CB 0.645 30.913 30.300 -0.054 0.000 1.063 124 R HN 0.235 nan 8.270 nan 0.000 0.519 125 S N 1.352 117.149 115.700 0.161 0.000 2.355 125 S HA -0.180 4.290 4.470 0.000 0.000 0.210 125 S C 2.018 176.758 174.600 0.234 0.000 1.035 125 S CA 1.095 59.426 58.200 0.218 0.000 1.011 125 S CB -0.509 62.879 63.200 0.313 0.000 1.000 125 S HN 0.760 nan 8.310 nan 0.000 0.423 126 A N 1.332 124.345 122.820 0.320 0.000 1.986 126 A HA 0.012 4.332 4.320 0.000 0.000 0.220 126 A C 2.182 179.934 177.584 0.280 0.000 1.171 126 A CA 1.833 54.084 52.037 0.356 0.000 0.640 126 A CB -1.309 17.997 19.000 0.510 0.000 0.811 126 A HN 0.577 nan 8.150 nan 0.000 0.451 127 G N -3.750 105.181 108.800 0.218 0.000 2.777 127 G HA2 0.115 4.075 3.960 0.000 0.000 0.211 127 G HA3 0.115 4.075 3.960 0.000 0.000 0.211 127 G C 1.000 176.152 174.900 0.421 0.000 1.149 127 G CA 0.889 46.146 45.100 0.262 0.000 0.785 127 G HN 0.668 nan 8.290 nan 0.000 0.536 128 W N -0.658 120.681 121.300 0.066 0.000 5.194 128 W HA 0.039 4.699 4.660 -0.000 0.000 0.160 128 W C 0.923 177.406 176.519 -0.060 0.000 1.096 128 W CA 0.167 57.520 57.345 0.013 0.000 1.802 128 W CB -0.480 28.962 29.460 -0.030 0.000 0.525 128 W HN 0.026 nan 8.180 nan 0.000 1.087 129 N N 2.015 120.844 118.700 0.214 0.000 2.104 129 N HA -0.156 4.584 4.740 0.000 0.000 0.190 129 N C 1.684 177.102 175.510 -0.154 0.000 1.024 129 N CA 2.601 55.676 53.050 0.043 0.000 0.853 129 N CB -0.588 37.950 38.487 0.085 0.000 1.008 129 N HN 0.295 nan 8.380 nan 0.000 0.424 130 I N 0.852 121.351 120.570 -0.119 0.000 2.277 130 I HA -0.102 4.068 4.170 0.000 0.000 0.243 130 I C -0.748 175.238 176.117 -0.220 0.000 1.094 130 I CA 0.786 61.989 61.300 -0.161 0.000 1.393 130 I CB -1.201 36.778 38.000 -0.036 0.000 1.078 130 I HN 0.038 nan 8.210 nan 0.000 0.417 131 P HA -0.121 nan 4.420 nan 0.000 0.215 131 P C 1.789 178.783 177.300 -0.510 0.000 1.157 131 P CA 1.335 64.109 63.100 -0.543 0.000 0.863 131 P CB 0.033 31.015 31.700 -1.197 0.000 0.787 132 I N -0.830 119.386 120.570 -0.590 0.000 2.546 132 I HA -0.059 4.111 4.170 0.000 0.000 0.255 132 I C 2.350 178.261 176.117 -0.342 0.000 1.163 132 I CA 1.619 62.577 61.300 -0.570 0.000 1.457 132 I CB -2.179 35.246 38.000 -0.959 0.000 1.092 132 I HN 0.007 nan 8.210 nan 0.000 0.434 133 G N 1.289 109.906 108.800 -0.304 0.000 2.418 133 G HA2 -0.170 3.790 3.960 0.000 0.000 0.217 133 G HA3 -0.170 3.790 3.960 0.000 0.000 0.217 133 G C 1.841 176.638 174.900 -0.172 0.000 1.158 133 G CA 0.385 45.347 45.100 -0.230 0.000 0.771 133 G HN 0.307 nan 8.290 nan 0.000 0.545 134 L N -0.304 120.809 121.223 -0.182 0.000 2.044 134 L HA 0.086 4.426 4.340 0.000 0.000 0.205 134 L C 2.593 179.396 176.870 -0.112 0.000 1.075 134 L CA 0.580 55.346 54.840 -0.124 0.000 0.747 134 L CB -0.328 41.669 42.059 -0.103 0.000 0.903 134 L HN 0.143 nan 8.230 nan 0.000 0.435 135 L N -1.703 119.406 121.223 -0.190 0.000 2.610 135 L HA -0.135 4.205 4.340 0.000 0.000 0.232 135 L C 2.168 178.840 176.870 -0.330 0.000 1.149 135 L CA 0.088 54.753 54.840 -0.291 0.000 0.872 135 L CB -0.666 41.105 42.059 -0.481 0.000 0.992 135 L HN 0.150 nan 8.230 nan 0.000 0.447 136 Y N 0.885 120.993 120.300 -0.320 0.000 1.967 136 Y HA -0.455 4.095 4.550 -0.000 0.000 0.260 136 Y C 2.554 178.315 175.900 -0.231 0.000 1.181 136 Y CA 2.138 60.074 58.100 -0.273 0.000 1.097 136 Y CB -0.623 37.717 38.460 -0.200 0.000 0.934 136 Y HN 0.185 nan 8.280 nan 0.000 0.492 137 c N 0.589 119.124 118.600 -0.109 0.000 2.449 137 c HA -0.101 4.469 4.570 0.000 0.000 0.283 137 c C 1.587 175.552 174.090 -0.208 0.000 1.453 137 c CA 0.849 57.072 56.329 -0.177 0.000 1.779 137 c CB -1.275 41.230 42.510 -0.008 0.000 1.779 137 c HN 0.520 nan 8.230 nan 0.000 0.546 138 D N 0.693 120.946 120.400 -0.245 0.000 2.324 138 D HA 0.188 4.828 4.640 0.000 0.000 0.235 138 D C 0.362 176.499 176.300 -0.273 0.000 1.095 138 D CA 0.431 54.313 54.000 -0.197 0.000 0.871 138 D CB -0.022 40.682 40.800 -0.160 0.000 0.906 138 D HN 0.468 nan 8.370 nan 0.000 0.522 139 L N 1.119 122.116 121.223 -0.376 0.000 2.352 139 L HA 0.444 4.784 4.340 0.000 0.000 0.269 139 L C -2.067 174.692 176.870 -0.185 0.000 1.034 139 L CA -2.051 52.599 54.840 -0.316 0.000 0.806 139 L CB 1.159 42.944 42.059 -0.456 0.000 1.244 139 L HN -0.211 nan 8.230 nan 0.000 0.447 140 P HA 0.161 nan 4.420 nan 0.000 0.279 140 P C -1.203 176.046 177.300 -0.086 0.000 1.239 140 P CA -0.483 62.579 63.100 -0.063 0.000 0.789 140 P CB 0.811 32.503 31.700 -0.014 0.000 0.933 141 E N 3.264 123.423 120.200 -0.069 0.000 2.343 141 E HA 0.278 4.628 4.350 0.000 0.000 0.269 141 E C -1.491 175.091 176.600 -0.031 0.000 1.047 141 E CA -1.536 54.827 56.400 -0.061 0.000 0.874 141 E CB -0.185 29.487 29.700 -0.047 0.000 1.033 141 E HN 0.477 nan 8.360 nan 0.000 0.409 142 P HA 0.153 nan 4.420 nan 0.000 0.274 142 P C -0.358 176.906 177.300 -0.059 0.000 1.231 142 P CA -0.338 62.745 63.100 -0.029 0.000 0.790 142 P CB 1.032 32.730 31.700 -0.002 0.000 0.951 143 R N -0.029 120.424 120.500 -0.078 0.000 2.310 143 R HA 0.140 4.480 4.340 0.000 0.000 0.202 143 R C 0.853 177.137 176.300 -0.028 0.000 0.933 143 R CA 0.436 56.456 56.100 -0.133 0.000 1.054 143 R CB 0.011 30.149 30.300 -0.270 0.000 0.985 143 R HN 0.418 nan 8.270 nan 0.000 0.489 144 K N 1.041 121.442 120.400 0.002 0.000 2.443 144 K HA 0.312 4.632 4.320 0.000 0.000 0.252 144 K C -2.495 174.115 176.600 0.016 0.000 0.933 144 K CA -2.287 54.014 56.287 0.023 0.000 0.792 144 K CB 1.504 34.033 32.500 0.048 0.000 1.185 144 K HN -0.197 nan 8.250 nan 0.000 0.425 145 P HA -0.049 nan 4.420 nan 0.000 0.270 145 P C 0.404 177.663 177.300 -0.069 0.000 1.223 145 P CA -0.438 62.648 63.100 -0.023 0.000 0.785 145 P CB 0.788 32.466 31.700 -0.037 0.000 0.923 146 L N 2.272 123.477 121.223 -0.030 0.000 2.005 146 L HA -0.138 4.202 4.340 0.000 0.000 0.207 146 L C 2.414 179.265 176.870 -0.032 0.000 1.072 146 L CA 1.832 56.683 54.840 0.018 0.000 0.744 146 L CB -1.271 40.868 42.059 0.133 0.000 0.895 146 L HN 0.407 nan 8.230 nan 0.000 0.433 147 E N -0.346 119.777 120.200 -0.128 0.000 2.086 147 E HA -0.322 4.028 4.350 0.000 0.000 0.200 147 E C 2.168 178.520 176.600 -0.415 0.000 1.012 147 E CA 1.669 57.924 56.400 -0.242 0.000 0.812 147 E CB -0.309 29.081 29.700 -0.516 0.000 0.743 147 E HN 0.446 nan 8.360 nan 0.000 0.453 148 K N 0.726 120.692 120.400 -0.724 0.000 2.002 148 K HA -0.170 4.150 4.320 0.000 0.000 0.209 148 K C 2.258 178.802 176.600 -0.094 0.000 1.048 148 K CA 1.247 57.295 56.287 -0.397 0.000 0.930 148 K CB -0.172 32.202 32.500 -0.211 0.000 0.714 148 K HN 0.096 nan 8.250 nan 0.000 0.438 149 A N 0.799 123.565 122.820 -0.089 0.000 1.883 149 A HA -0.134 4.186 4.320 0.000 0.000 0.217 149 A C 2.238 179.823 177.584 0.001 0.000 1.186 149 A CA 1.832 53.839 52.037 -0.051 0.000 0.624 149 A CB -0.714 18.219 19.000 -0.112 0.000 0.822 149 A HN 0.201 nan 8.150 nan 0.000 0.444 150 V N -0.178 119.749 119.914 0.023 0.000 2.720 150 V HA -0.213 3.907 4.120 0.000 0.000 0.256 150 V C 2.918 179.198 176.094 0.309 0.000 1.082 150 V CA 1.597 63.980 62.300 0.139 0.000 1.101 150 V CB -1.239 30.662 31.823 0.130 0.000 0.693 150 V HN 0.637 nan 8.190 nan 0.000 0.479 151 A N 0.921 123.867 122.820 0.211 0.000 1.858 151 A HA -0.258 4.062 4.320 0.000 0.000 0.216 151 A C 2.059 179.766 177.584 0.205 0.000 1.190 151 A CA 2.200 54.375 52.037 0.230 0.000 0.617 151 A CB -0.813 18.298 19.000 0.185 0.000 0.827 151 A HN 0.671 nan 8.150 nan 0.000 0.443 152 N N -1.607 117.181 118.700 0.146 0.000 2.223 152 N HA -0.151 4.589 4.740 0.000 0.000 0.185 152 N C 1.559 177.124 175.510 0.093 0.000 1.016 152 N CA 1.389 54.500 53.050 0.102 0.000 0.863 152 N CB -0.236 38.294 38.487 0.071 0.000 0.983 152 N HN 0.554 nan 8.380 nan 0.000 0.429 153 F N 1.547 121.461 119.950 -0.061 0.000 2.037 153 F HA 0.055 4.582 4.527 0.000 0.000 0.291 153 F C 0.278 175.954 175.800 -0.206 0.000 1.137 153 F CA 0.836 58.719 58.000 -0.196 0.000 1.178 153 F CB -0.366 38.438 39.000 -0.327 0.000 0.995 153 F HN -0.227 nan 8.300 nan 0.000 0.472 154 F N 2.029 122.050 119.950 0.119 0.000 2.462 154 F HA 0.152 4.679 4.527 0.000 0.000 0.360 154 F C 1.057 176.862 175.800 0.007 0.000 1.134 154 F CA -0.590 57.419 58.000 0.015 0.000 1.148 154 F CB -0.162 38.974 39.000 0.228 0.000 1.147 154 F HN -0.002 nan 8.300 nan 0.000 0.550 155 S N 3.206 118.951 115.700 0.075 0.000 3.944 155 S HA 0.456 4.926 4.470 0.000 0.000 0.215 155 S C 0.550 175.213 174.600 0.105 0.000 1.220 155 S CA -0.020 58.214 58.200 0.057 0.000 0.950 155 S CB -1.021 62.172 63.200 -0.012 0.000 1.615 155 S HN 1.308 nan 8.310 nan 0.000 0.466 156 G N 0.973 109.869 108.800 0.160 0.000 2.690 156 G HA2 0.324 4.284 3.960 0.000 0.000 0.686 156 G HA3 0.324 4.284 3.960 0.000 0.000 0.686 156 G C -0.392 174.606 174.900 0.164 0.000 1.277 156 G CA -0.374 44.813 45.100 0.146 0.000 0.799 156 G HN 2.248 nan 8.290 nan 0.000 0.613 157 S N -1.966 113.818 115.700 0.140 0.000 2.653 157 S HA 0.585 5.055 4.470 0.000 0.000 0.264 157 S C -0.818 173.868 174.600 0.144 0.000 1.070 157 S CA -0.029 58.239 58.200 0.114 0.000 0.885 157 S CB 1.159 64.431 63.200 0.119 0.000 1.157 157 S HN 2.567 nan 8.310 nan 0.000 0.479 158 c N 1.714 120.417 118.600 0.171 0.000 2.356 158 c HA 0.861 5.431 4.570 0.000 0.000 0.324 158 c C 0.068 174.305 174.090 0.244 0.000 1.167 158 c CA 0.545 56.989 56.329 0.191 0.000 1.420 158 c CB -0.518 42.100 42.510 0.180 0.000 2.036 158 c HN 1.436 nan 8.230 nan 0.000 0.435 159 A N 8.119 131.035 122.820 0.161 0.000 2.664 159 A HA 0.680 5.000 4.320 0.000 0.000 0.338 159 A C -2.668 174.922 177.584 0.010 0.000 1.280 159 A CA -1.173 50.896 52.037 0.053 0.000 0.809 159 A CB 0.175 19.124 19.000 -0.085 0.000 1.114 159 A HN 0.710 nan 8.150 nan 0.000 0.479 160 P HA 0.137 nan 4.420 nan 0.000 0.269 160 P C 0.615 177.936 177.300 0.034 0.000 1.205 160 P CA 0.307 63.490 63.100 0.139 0.000 0.780 160 P CB 0.234 32.138 31.700 0.340 0.000 0.858 161 c N -0.812 117.817 118.600 0.049 0.000 4.570 161 c HA -0.172 4.398 4.570 0.000 0.000 0.280 161 c C 1.132 175.182 174.090 -0.066 0.000 1.622 161 c CA 0.554 56.877 56.329 -0.011 0.000 1.837 161 c CB -2.810 39.697 42.510 -0.007 0.000 1.869 161 c HN 0.816 nan 8.230 nan 0.000 0.686 162 A N 0.584 123.355 122.820 -0.081 0.000 2.327 162 A HA 0.520 4.840 4.320 0.000 0.000 0.283 162 A C 0.055 177.653 177.584 0.023 0.000 1.127 162 A CA 0.524 52.513 52.037 -0.080 0.000 0.810 162 A CB 0.277 19.197 19.000 -0.133 0.000 1.066 162 A HN 0.537 nan 8.150 nan 0.000 0.492 163 D N 2.207 122.656 120.400 0.082 0.000 2.348 163 D HA 0.327 4.967 4.640 0.000 0.000 0.259 163 D C 1.303 177.677 176.300 0.124 0.000 1.296 163 D CA 0.780 54.836 54.000 0.093 0.000 0.931 163 D CB 0.447 41.311 40.800 0.108 0.000 1.067 163 D HN 0.438 nan 8.370 nan 0.000 0.503 164 G N 2.519 111.357 108.800 0.064 0.000 2.511 164 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 164 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 164 G C 1.441 176.329 174.900 -0.021 0.000 1.133 164 G CA 0.481 45.619 45.100 0.063 0.000 0.792 164 G HN 0.533 nan 8.290 nan 0.000 0.539 165 T N 0.917 115.434 114.554 -0.062 0.000 2.778 165 T HA -0.098 4.252 4.350 0.000 0.000 0.269 165 T C 1.650 176.218 174.700 -0.221 0.000 1.050 165 T CA 1.816 63.851 62.100 -0.107 0.000 1.137 165 T CB -0.158 68.656 68.868 -0.089 0.000 0.860 165 T HN 0.345 nan 8.240 nan 0.000 0.468 166 D N -0.680 119.459 120.400 -0.435 0.000 2.380 166 D HA 0.179 4.819 4.640 0.000 0.000 0.212 166 D C -0.359 175.325 176.300 -1.026 0.000 1.021 166 D CA 0.305 53.800 54.000 -0.842 0.000 0.884 166 D CB 0.365 40.407 40.800 -1.263 0.000 1.001 166 D HN 0.387 nan 8.370 nan 0.000 0.506 167 F N 0.220 120.190 119.950 0.034 0.000 2.810 167 F HA 0.318 4.845 4.527 -0.000 0.000 0.373 167 F C -1.928 173.904 175.800 0.052 0.000 1.174 167 F CA -2.046 55.984 58.000 0.050 0.000 1.141 167 F CB 1.505 40.544 39.000 0.064 0.000 1.420 167 F HN -0.231 nan 8.300 nan 0.000 0.518 168 P HA -0.190 nan 4.420 nan 0.000 0.218 168 P C 1.240 178.621 177.300 0.135 0.000 1.149 168 P CA 1.294 64.457 63.100 0.105 0.000 0.817 168 P CB 0.494 32.232 31.700 0.062 0.000 0.785 169 Q N -0.508 119.390 119.800 0.163 0.000 2.268 169 Q HA -0.109 4.231 4.340 0.000 0.000 0.210 169 Q C 1.961 178.069 176.000 0.179 0.000 0.988 169 Q CA 0.975 56.876 55.803 0.163 0.000 0.883 169 Q CB -0.576 28.268 28.738 0.178 0.000 0.911 169 Q HN 0.328 nan 8.270 nan 0.000 0.430 170 L N -1.303 120.036 121.223 0.193 0.000 2.492 170 L HA -0.039 4.301 4.340 0.000 0.000 0.223 170 L C 1.442 178.399 176.870 0.145 0.000 1.132 170 L CA 0.641 55.590 54.840 0.181 0.000 0.850 170 L CB -0.456 41.707 42.059 0.174 0.000 0.966 170 L HN 0.214 nan 8.230 nan 0.000 0.454 171 c N -1.820 116.857 118.600 0.129 0.000 3.243 171 c HA 0.132 4.702 4.570 0.000 0.000 0.286 171 c C 2.358 176.513 174.090 0.109 0.000 1.373 171 c CA -0.639 55.758 56.329 0.112 0.000 1.749 171 c CB 0.018 42.580 42.510 0.086 0.000 2.313 171 c HN 0.493 nan 8.230 nan 0.000 0.644 172 Q N 1.178 121.046 119.800 0.112 0.000 2.062 172 Q HA -0.231 4.109 4.340 0.000 0.000 0.209 172 Q C 1.660 177.725 176.000 0.109 0.000 0.996 172 Q CA 1.788 57.651 55.803 0.100 0.000 0.859 172 Q CB -0.044 28.753 28.738 0.099 0.000 0.920 172 Q HN 0.539 nan 8.270 nan 0.000 0.415 173 L N -0.379 120.922 121.223 0.130 0.000 2.291 173 L HA -0.050 4.290 4.340 0.000 0.000 0.214 173 L C 1.071 178.089 176.870 0.248 0.000 1.120 173 L CA 0.666 55.607 54.840 0.168 0.000 0.799 173 L CB 0.025 42.163 42.059 0.131 0.000 0.925 173 L HN 0.501 nan 8.230 nan 0.000 0.446 174 c N -3.560 115.161 118.600 0.200 0.000 3.287 174 c HA 0.534 5.104 4.570 0.000 0.000 0.260 174 c C -2.655 171.495 174.090 0.101 0.000 1.133 174 c CA -2.522 53.912 56.329 0.175 0.000 1.402 174 c CB -0.086 42.579 42.510 0.258 0.000 1.832 174 c HN -0.011 nan 8.230 nan 0.000 0.509 175 P HA 0.304 nan 4.420 nan 0.000 0.265 175 P C 1.317 178.635 177.300 0.030 0.000 1.187 175 P CA 2.750 65.877 63.100 0.046 0.000 0.766 175 P CB 0.431 32.149 31.700 0.030 0.000 0.820 176 G N 2.152 110.968 108.800 0.027 0.000 2.320 176 G HA2 -0.357 3.603 3.960 0.000 0.000 0.242 176 G HA3 -0.357 3.603 3.960 0.000 0.000 0.242 176 G C 0.603 175.515 174.900 0.020 0.000 1.033 176 G CA -0.107 45.001 45.100 0.013 0.000 0.620 176 G HN 0.694 nan 8.290 nan 0.000 0.517 177 c N 1.007 119.634 118.600 0.044 0.000 4.235 177 c HA -0.020 4.550 4.570 0.000 0.000 0.301 177 c C 1.861 175.975 174.090 0.041 0.000 1.409 177 c CA 0.376 56.742 56.329 0.061 0.000 2.024 177 c CB -2.028 40.511 42.510 0.050 0.000 1.286 177 c HN 2.183 nan 8.230 nan 0.000 0.746 178 G N 0.001 108.810 108.800 0.015 0.000 2.109 178 G HA2 0.118 4.078 3.960 0.000 0.000 0.249 178 G HA3 0.118 4.078 3.960 0.000 0.000 0.249 178 G C 0.835 175.682 174.900 -0.088 0.000 1.126 178 G CA 0.483 45.552 45.100 -0.052 0.000 0.923 178 G HN 1.095 nan 8.290 nan 0.000 0.439 179 c N 3.430 121.933 118.600 -0.163 0.000 2.524 179 c HA 0.515 5.085 4.570 0.000 0.000 0.301 179 c C 1.449 175.038 174.090 -0.835 0.000 1.296 179 c CA 0.163 56.362 56.329 -0.217 0.000 1.683 179 c CB -2.418 40.048 42.510 -0.072 0.000 1.764 179 c HN 0.874 nan 8.230 nan 0.000 0.597 180 S N -1.604 113.510 115.700 -0.978 0.000 2.806 180 S HA 0.375 4.846 4.470 0.000 0.000 0.306 180 S C 0.885 174.936 174.600 -0.915 0.000 1.167 180 S CA 0.462 58.010 58.200 -1.088 0.000 0.847 180 S CB 0.883 63.812 63.200 -0.451 0.000 1.216 180 S HN 0.407 nan 8.310 nan 0.000 0.532 181 T N -0.637 113.653 114.554 -0.439 0.000 2.977 181 T HA -0.089 4.261 4.350 0.000 0.000 0.271 181 T C 1.624 176.276 174.700 -0.079 0.000 1.105 181 T CA 1.184 63.229 62.100 -0.092 0.000 1.116 181 T CB -0.704 68.164 68.868 0.001 0.000 0.878 181 T HN 0.518 nan 8.240 nan 0.000 0.509 182 L N 1.726 122.865 121.223 -0.140 0.000 2.351 182 L HA 0.103 4.443 4.340 0.000 0.000 0.220 182 L C 0.426 177.249 176.870 -0.078 0.000 1.127 182 L CA 1.121 55.903 54.840 -0.098 0.000 0.786 182 L CB -0.862 41.130 42.059 -0.112 0.000 0.914 182 L HN 0.342 nan 8.230 nan 0.000 0.443 183 N N -0.508 118.150 118.700 -0.070 0.000 2.443 183 N HA 0.151 4.891 4.740 0.000 0.000 0.269 183 N C 0.272 175.823 175.510 0.068 0.000 0.985 183 N CA -0.464 52.578 53.050 -0.014 0.000 0.921 183 N CB 1.216 39.720 38.487 0.029 0.000 1.195 183 N HN 0.327 nan 8.380 nan 0.000 0.492 184 Q N 2.060 121.849 119.800 -0.019 0.000 2.431 184 Q HA 0.047 4.387 4.340 0.000 0.000 0.210 184 Q C -0.453 175.711 176.000 0.272 0.000 0.958 184 Q CA 0.992 56.828 55.803 0.054 0.000 0.957 184 Q CB -0.044 28.665 28.738 -0.048 0.000 1.007 184 Q HN 0.498 nan 8.270 nan 0.000 0.511 185 Y N -0.030 120.343 120.300 0.121 0.000 2.716 185 Y HA 0.333 4.884 4.550 0.000 0.000 0.260 185 Y C -0.862 175.127 175.900 0.148 0.000 1.141 185 Y CA -2.263 55.901 58.100 0.107 0.000 1.168 185 Y CB 0.075 38.584 38.460 0.082 0.000 1.189 185 Y HN 0.217 nan 8.280 nan 0.000 0.549 186 F N 0.390 120.439 119.950 0.165 0.000 2.480 186 F HA 0.752 5.279 4.527 0.000 0.000 0.329 186 F C 0.558 176.391 175.800 0.056 0.000 1.091 186 F CA 0.155 58.206 58.000 0.084 0.000 0.972 186 F CB 1.256 40.283 39.000 0.045 0.000 1.150 186 F HN 0.223 nan 8.300 nan 0.000 0.467 187 G N 4.043 112.255 108.800 -0.979 0.000 2.698 187 G HA2 -0.319 3.641 3.960 0.000 0.000 0.225 187 G HA3 -0.319 3.641 3.960 0.000 0.000 0.225 187 G C -0.477 174.222 174.900 -0.335 0.000 1.345 187 G CA -0.025 44.597 45.100 -0.797 0.000 0.871 187 G HN 0.776 nan 8.290 nan 0.000 0.540 188 Y N 0.710 120.910 120.300 -0.168 0.000 2.092 188 Y HA -0.038 4.513 4.550 0.000 0.000 0.282 188 Y C 3.478 179.374 175.900 -0.007 0.000 1.126 188 Y CA 2.444 60.488 58.100 -0.093 0.000 1.111 188 Y CB -0.949 37.439 38.460 -0.120 0.000 0.987 188 Y HN 0.531 nan 8.280 nan 0.000 0.489 189 S N -0.129 115.689 115.700 0.196 0.000 2.359 189 S HA -0.244 4.226 4.470 0.000 0.000 0.222 189 S C 2.380 177.094 174.600 0.190 0.000 1.038 189 S CA 1.444 59.759 58.200 0.191 0.000 1.051 189 S CB -1.267 62.021 63.200 0.147 0.000 0.944 189 S HN 0.650 nan 8.310 nan 0.000 0.433 190 G N 1.518 110.414 108.800 0.160 0.000 2.480 190 G HA2 -0.122 3.838 3.960 0.000 0.000 0.216 190 G HA3 -0.122 3.838 3.960 0.000 0.000 0.216 190 G C 1.621 176.620 174.900 0.165 0.000 1.200 190 G CA 1.103 46.328 45.100 0.209 0.000 0.782 190 G HN 0.620 nan 8.290 nan 0.000 0.554 191 A N 0.066 122.941 122.820 0.093 0.000 1.986 191 A HA -0.030 4.290 4.320 0.000 0.000 0.220 191 A C 2.226 179.841 177.584 0.053 0.000 1.171 191 A CA 1.639 53.698 52.037 0.037 0.000 0.640 191 A CB -0.547 18.470 19.000 0.028 0.000 0.811 191 A HN 0.492 nan 8.150 nan 0.000 0.451 192 F N -0.147 119.760 119.950 -0.072 0.000 2.206 192 F HA -0.063 4.464 4.527 0.000 0.000 0.298 192 F C 2.218 177.945 175.800 -0.122 0.000 1.090 192 F CA 1.479 59.409 58.000 -0.116 0.000 1.323 192 F CB 0.032 38.967 39.000 -0.109 0.000 1.028 192 F HN 0.160 nan 8.300 nan 0.000 0.492 193 K N -0.183 120.162 120.400 -0.092 0.000 2.283 193 K HA -0.206 4.114 4.320 0.000 0.000 0.202 193 K C 2.109 178.561 176.600 -0.246 0.000 1.048 193 K CA 1.066 57.263 56.287 -0.151 0.000 0.948 193 K CB -0.399 32.160 32.500 0.098 0.000 0.742 193 K HN 0.453 nan 8.250 nan 0.000 0.458 194 c N 0.543 118.857 118.600 -0.477 0.000 2.456 194 c HA 0.047 4.617 4.570 0.000 0.000 0.279 194 c C 2.119 175.932 174.090 -0.462 0.000 1.427 194 c CA 0.124 55.862 56.329 -0.983 0.000 1.778 194 c CB -0.703 41.281 42.510 -0.876 0.000 1.842 194 c HN 0.550 nan 8.230 nan 0.000 0.531 195 L N 1.166 122.231 121.223 -0.264 0.000 2.269 195 L HA 0.235 4.575 4.340 0.000 0.000 0.200 195 L C 2.498 179.319 176.870 -0.082 0.000 1.069 195 L CA 1.941 56.711 54.840 -0.117 0.000 0.804 195 L CB -1.044 41.018 42.059 0.004 0.000 0.987 195 L HN 0.278 nan 8.230 nan 0.000 0.468 196 K N -0.236 120.037 120.400 -0.212 0.000 2.059 196 K HA -0.246 4.074 4.320 0.000 0.000 0.212 196 K C 1.319 177.887 176.600 -0.053 0.000 1.050 196 K CA 2.218 58.424 56.287 -0.135 0.000 0.927 196 K CB -0.262 32.023 32.500 -0.358 0.000 0.714 196 K HN 0.331 nan 8.250 nan 0.000 0.447 197 D N -0.744 119.618 120.400 -0.064 0.000 2.392 197 D HA -0.010 4.630 4.640 0.000 0.000 0.228 197 D C 1.043 177.346 176.300 0.005 0.000 1.003 197 D CA 1.195 55.200 54.000 0.008 0.000 0.917 197 D CB 0.066 40.933 40.800 0.110 0.000 0.890 197 D HN 0.615 nan 8.370 nan 0.000 0.532 198 G N 0.174 108.961 108.800 -0.021 0.000 2.184 198 G HA2 -0.372 3.588 3.960 0.000 0.000 0.264 198 G HA3 -0.372 3.588 3.960 0.000 0.000 0.264 198 G C 1.306 176.198 174.900 -0.014 0.000 0.975 198 G CA 0.808 45.903 45.100 -0.008 0.000 0.642 198 G HN 0.531 nan 8.290 nan 0.000 0.536 199 A N -0.098 122.697 122.820 -0.042 0.000 1.845 199 A HA 0.483 4.803 4.320 0.000 0.000 0.215 199 A C 1.869 179.420 177.584 -0.054 0.000 1.195 199 A CA 2.366 54.382 52.037 -0.034 0.000 0.616 199 A CB -0.510 18.442 19.000 -0.080 0.000 0.832 199 A HN 1.910 nan 8.150 nan 0.000 0.443 200 G N -2.165 106.570 108.800 -0.108 0.000 2.471 200 G HA2 0.452 4.412 3.960 0.000 0.000 0.332 200 G HA3 0.452 4.412 3.960 0.000 0.000 0.332 200 G C -0.508 174.358 174.900 -0.057 0.000 1.176 200 G CA 0.065 45.109 45.100 -0.093 0.000 0.949 200 G HN 0.088 nan 8.290 nan 0.000 0.488 201 D N -1.057 119.310 120.400 -0.056 0.000 2.162 201 D HA 0.022 4.662 4.640 0.000 0.000 0.205 201 D C 0.973 177.327 176.300 0.090 0.000 0.964 201 D CA 0.721 54.732 54.000 0.017 0.000 0.847 201 D CB 0.293 41.023 40.800 -0.116 0.000 0.988 201 D HN 0.220 nan 8.370 nan 0.000 0.480 202 V N -0.498 119.371 119.914 -0.076 0.000 2.823 202 V HA 0.730 4.850 4.120 0.000 0.000 0.312 202 V C -1.655 174.176 176.094 -0.439 0.000 1.072 202 V CA -0.987 61.196 62.300 -0.195 0.000 0.937 202 V CB 1.963 33.614 31.823 -0.287 0.000 1.013 202 V HN 0.077 nan 8.190 nan 0.000 0.430 203 A N 5.855 128.453 122.820 -0.369 0.000 2.709 203 A HA 0.653 4.973 4.320 0.000 0.000 0.332 203 A C -0.743 176.702 177.584 -0.232 0.000 1.241 203 A CA -0.442 51.421 52.037 -0.290 0.000 0.782 203 A CB -0.181 18.798 19.000 -0.035 0.000 1.109 203 A HN 0.744 nan 8.150 nan 0.000 0.472 204 F N 1.990 121.899 119.950 -0.069 0.000 2.519 204 F HA 0.288 4.815 4.527 0.000 0.000 0.381 204 F C 1.056 176.898 175.800 0.070 0.000 1.076 204 F CA 0.733 58.737 58.000 0.006 0.000 1.095 204 F CB -0.239 38.748 39.000 -0.021 0.000 1.046 204 F HN 0.461 nan 8.300 nan 0.000 0.559 205 V N 0.048 120.111 119.914 0.248 0.000 3.247 205 V HA 0.592 4.712 4.120 0.000 0.000 0.310 205 V C -0.492 175.754 176.094 0.254 0.000 1.409 205 V CA -1.346 61.127 62.300 0.288 0.000 1.013 205 V CB 1.571 33.486 31.823 0.153 0.000 1.118 205 V HN 0.405 nan 8.190 nan 0.000 0.480 206 K N -0.282 120.156 120.400 0.063 0.000 2.132 206 K HA 0.396 4.716 4.320 0.000 0.000 0.241 206 K C 1.518 178.045 176.600 -0.121 0.000 1.000 206 K CA 0.009 56.260 56.287 -0.060 0.000 0.911 206 K CB 0.816 32.965 32.500 -0.583 0.000 1.093 206 K HN 1.010 nan 8.250 nan 0.000 0.460 207 H N -0.047 118.933 119.070 -0.150 0.000 2.389 207 H HA -0.090 4.467 4.556 0.000 0.000 0.299 207 H C 1.316 176.480 175.328 -0.273 0.000 1.081 207 H CA 1.983 57.842 56.048 -0.314 0.000 1.345 207 H CB -0.382 28.923 29.762 -0.761 0.000 1.393 207 H HN 0.527 nan 8.280 nan 0.000 0.520 208 S N 0.481 115.523 115.700 -1.097 0.000 2.481 208 S HA -0.094 4.376 4.470 0.000 0.000 0.231 208 S C 1.892 176.273 174.600 -0.365 0.000 0.996 208 S CA 0.896 58.687 58.200 -0.682 0.000 0.942 208 S CB -0.722 61.998 63.200 -0.799 0.000 0.768 208 S HN 0.441 nan 8.310 nan 0.000 0.520 209 T N 3.109 117.388 114.554 -0.459 0.000 2.597 209 T HA -0.116 4.234 4.350 0.000 0.000 0.267 209 T C 1.568 175.977 174.700 -0.485 0.000 1.053 209 T CA 1.795 63.635 62.100 -0.433 0.000 1.165 209 T CB -0.589 68.015 68.868 -0.440 0.000 0.863 209 T HN 0.477 nan 8.240 nan 0.000 0.427 210 I N -0.136 120.036 120.570 -0.662 0.000 2.361 210 I HA -0.127 4.043 4.170 0.000 0.000 0.251 210 I C 1.458 177.353 176.117 -0.371 0.000 1.133 210 I CA 1.378 62.215 61.300 -0.772 0.000 1.413 210 I CB -0.089 37.449 38.000 -0.771 0.000 1.073 210 I HN 0.185 nan 8.210 nan 0.000 0.424 211 F N 0.664 120.507 119.950 -0.179 0.000 2.748 211 F HA -0.024 4.503 4.527 0.000 0.000 0.299 211 F C 2.176 177.940 175.800 -0.060 0.000 1.154 211 F CA 0.664 58.618 58.000 -0.076 0.000 1.446 211 F CB -0.068 38.892 39.000 -0.066 0.000 1.112 211 F HN 0.090 nan 8.300 nan 0.000 0.584 212 E N -0.651 119.583 120.200 0.056 0.000 2.307 212 E HA 0.033 4.383 4.350 0.000 0.000 0.195 212 E C 1.081 177.720 176.600 0.066 0.000 0.975 212 E CA 0.235 56.655 56.400 0.035 0.000 0.878 212 E CB 0.007 29.687 29.700 -0.034 0.000 0.845 212 E HN 0.412 nan 8.360 nan 0.000 0.488 213 N N 0.203 118.969 118.700 0.111 0.000 2.235 213 N HA 0.124 4.864 4.740 0.000 0.000 0.209 213 N C -1.096 174.511 175.510 0.161 0.000 1.122 213 N CA 0.004 53.166 53.050 0.186 0.000 0.845 213 N CB 0.784 39.521 38.487 0.417 0.000 1.004 213 N HN -0.077 nan 8.380 nan 0.000 0.499 214 L N 0.006 121.299 121.223 0.116 0.000 2.676 214 L HA 0.307 4.647 4.340 0.000 0.000 0.262 214 L C 0.300 177.211 176.870 0.067 0.000 0.965 214 L CA -0.151 54.740 54.840 0.085 0.000 0.920 214 L CB 1.109 43.225 42.059 0.096 0.000 1.260 214 L HN -0.146 nan 8.230 nan 0.000 0.422 215 A N 3.336 126.199 122.820 0.071 0.000 1.835 215 A HA 0.057 4.377 4.320 0.000 0.000 0.213 215 A C 0.784 178.415 177.584 0.079 0.000 1.210 215 A CA 0.755 52.840 52.037 0.079 0.000 0.605 215 A CB -0.443 18.596 19.000 0.064 0.000 0.860 215 A HN 0.713 nan 8.150 nan 0.000 0.447 216 N N 0.310 119.048 118.700 0.063 0.000 2.407 216 N HA 0.065 4.805 4.740 0.000 0.000 0.250 216 N C 0.901 176.447 175.510 0.059 0.000 1.236 216 N CA 0.060 53.145 53.050 0.058 0.000 0.879 216 N CB 0.617 39.133 38.487 0.048 0.000 1.088 216 N HN 0.284 nan 8.380 nan 0.000 0.450 217 K N 2.096 122.534 120.400 0.062 0.000 2.062 217 K HA 0.010 4.330 4.320 0.000 0.000 0.205 217 K C 1.416 178.043 176.600 0.045 0.000 1.051 217 K CA 0.828 57.151 56.287 0.060 0.000 0.941 217 K CB -0.295 32.250 32.500 0.074 0.000 0.719 217 K HN 0.628 nan 8.250 nan 0.000 0.440 218 A N 1.714 124.558 122.820 0.039 0.000 2.131 218 A HA -0.179 4.141 4.320 0.000 0.000 0.220 218 A C 1.432 179.033 177.584 0.028 0.000 1.158 218 A CA 1.925 53.978 52.037 0.027 0.000 0.665 218 A CB -0.357 18.655 19.000 0.020 0.000 0.795 218 A HN 0.370 nan 8.150 nan 0.000 0.460 219 D N -0.151 120.279 120.400 0.051 0.000 2.103 219 D HA -0.089 4.551 4.640 0.000 0.000 0.199 219 D C 2.127 178.520 176.300 0.155 0.000 0.978 219 D CA 1.235 55.286 54.000 0.085 0.000 0.829 219 D CB -0.417 40.447 40.800 0.106 0.000 0.981 219 D HN 0.486 nan 8.370 nan 0.000 0.464 220 R N 0.832 121.420 120.500 0.146 0.000 2.105 220 R HA -0.100 4.240 4.340 0.000 0.000 0.239 220 R C 1.611 178.001 176.300 0.149 0.000 1.135 220 R CA 1.174 57.398 56.100 0.206 0.000 0.967 220 R CB -0.270 30.016 30.300 -0.024 0.000 0.861 220 R HN 0.101 nan 8.270 nan 0.000 0.442 221 D N 0.586 121.015 120.400 0.048 0.000 2.220 221 D HA -0.216 4.424 4.640 0.000 0.000 0.198 221 D C 1.740 178.007 176.300 -0.055 0.000 1.001 221 D CA 1.317 55.318 54.000 0.003 0.000 0.875 221 D CB -0.146 40.648 40.800 -0.010 0.000 0.921 221 D HN 0.112 nan 8.370 nan 0.000 0.454 222 Q N -1.164 118.543 119.800 -0.155 0.000 2.436 222 Q HA 0.009 4.349 4.340 0.000 0.000 0.209 222 Q C -0.511 175.245 176.000 -0.407 0.000 0.965 222 Q CA 0.454 56.067 55.803 -0.318 0.000 0.910 222 Q CB 0.062 28.527 28.738 -0.456 0.000 0.980 222 Q HN 0.333 nan 8.270 nan 0.000 0.491 223 Y N -0.038 120.262 120.300 0.001 0.000 2.496 223 Y HA 0.471 5.021 4.550 0.000 0.000 0.331 223 Y C 0.140 176.034 175.900 -0.011 0.000 1.140 223 Y CA -1.088 57.020 58.100 0.013 0.000 1.166 223 Y CB 1.324 39.821 38.460 0.060 0.000 1.249 223 Y HN -0.003 nan 8.280 nan 0.000 0.479 224 E N 0.053 120.345 120.200 0.154 0.000 2.416 224 E HA 0.514 4.864 4.350 0.000 0.000 0.280 224 E C -2.187 174.445 176.600 0.054 0.000 1.055 224 E CA -1.042 55.400 56.400 0.070 0.000 0.825 224 E CB 1.212 30.921 29.700 0.014 0.000 1.312 224 E HN 0.274 nan 8.360 nan 0.000 0.452 225 L N 0.939 122.190 121.223 0.048 0.000 2.399 225 L HA 0.460 4.801 4.340 0.000 0.000 0.265 225 L C -0.276 176.610 176.870 0.027 0.000 1.089 225 L CA -0.612 54.262 54.840 0.056 0.000 0.802 225 L CB 1.001 43.116 42.059 0.094 0.000 1.180 225 L HN 0.611 nan 8.230 nan 0.000 0.454 226 L N 1.683 122.935 121.223 0.048 0.000 2.287 226 L HA 0.407 4.747 4.340 0.000 0.000 0.287 226 L C -0.765 176.143 176.870 0.062 0.000 1.022 226 L CA -0.364 54.498 54.840 0.038 0.000 0.814 226 L CB 1.131 43.240 42.059 0.083 0.000 1.217 226 L HN 0.668 nan 8.230 nan 0.000 0.420 227 c N 3.377 121.997 118.600 0.034 0.000 2.382 227 c HA 0.245 4.815 4.570 0.000 0.000 0.363 227 c C 1.843 175.957 174.090 0.041 0.000 1.213 227 c CA -0.869 55.475 56.329 0.025 0.000 2.363 227 c CB 1.066 43.575 42.510 -0.001 0.000 2.397 227 c HN 0.817 nan 8.230 nan 0.000 0.573 228 L N 1.514 122.756 121.223 0.032 0.000 2.265 228 L HA -0.114 4.226 4.340 0.000 0.000 0.215 228 L C 1.942 178.848 176.870 0.060 0.000 1.117 228 L CA 1.433 56.307 54.840 0.056 0.000 0.782 228 L CB -0.317 41.779 42.059 0.061 0.000 0.914 228 L HN 0.824 nan 8.230 nan 0.000 0.441 229 D N -1.192 119.233 120.400 0.041 0.000 2.561 229 D HA -0.072 4.568 4.640 0.000 0.000 0.232 229 D C -0.452 175.865 176.300 0.029 0.000 1.198 229 D CA -0.248 53.773 54.000 0.035 0.000 0.826 229 D CB -0.369 40.445 40.800 0.023 0.000 0.992 229 D HN 0.188 nan 8.370 nan 0.000 0.490 230 N N 0.295 119.019 118.700 0.039 0.000 2.681 230 N HA -0.142 4.598 4.740 0.000 0.000 0.259 230 N C -0.872 174.647 175.510 0.014 0.000 1.066 230 N CA 1.048 54.119 53.050 0.036 0.000 0.717 230 N CB -1.763 36.747 38.487 0.038 0.000 0.885 230 N HN 0.386 nan 8.380 nan 0.000 0.547 231 T N -0.103 114.454 114.554 0.005 0.000 2.821 231 T HA 0.617 4.967 4.350 0.000 0.000 0.306 231 T C -0.005 174.681 174.700 -0.024 0.000 1.313 231 T CA -0.808 61.285 62.100 -0.012 0.000 1.012 231 T CB 2.259 71.123 68.868 -0.008 0.000 1.298 231 T HN 0.185 nan 8.240 nan 0.000 0.502 232 R N 0.379 120.857 120.500 -0.036 0.000 2.854 232 R HA 0.851 5.191 4.340 0.000 0.000 0.271 232 R C -0.955 175.332 176.300 -0.022 0.000 0.996 232 R CA -0.958 55.118 56.100 -0.040 0.000 0.961 232 R CB 1.845 32.099 30.300 -0.077 0.000 1.182 232 R HN 0.460 nan 8.270 nan 0.000 0.479 233 K N 0.765 121.160 120.400 -0.008 0.000 2.579 233 K HA 0.351 4.671 4.320 0.000 0.000 0.284 233 K C -2.886 173.725 176.600 0.018 0.000 0.990 233 K CA -2.021 54.266 56.287 0.000 0.000 0.880 233 K CB 2.201 34.700 32.500 -0.001 0.000 1.488 233 K HN 0.277 nan 8.250 nan 0.000 0.425 234 P HA -0.108 nan 4.420 nan 0.000 0.264 234 P C 0.861 178.206 177.300 0.074 0.000 1.183 234 P CA -0.129 62.995 63.100 0.039 0.000 0.763 234 P CB 0.436 32.155 31.700 0.032 0.000 0.807 235 V N -0.239 119.726 119.914 0.085 0.000 3.140 235 V HA -0.199 3.921 4.120 0.000 0.000 0.269 235 V C 0.867 177.136 176.094 0.292 0.000 1.149 235 V CA 1.768 64.144 62.300 0.127 0.000 1.162 235 V CB -1.191 30.632 31.823 -0.000 0.000 0.756 235 V HN 0.335 nan 8.190 nan 0.000 0.523 236 D N 0.471 121.017 120.400 0.243 0.000 2.333 236 D HA 0.046 4.686 4.640 0.000 0.000 0.208 236 D C 1.263 177.558 176.300 -0.007 0.000 0.984 236 D CA 0.713 54.907 54.000 0.323 0.000 0.873 236 D CB 0.049 40.986 40.800 0.229 0.000 0.935 236 D HN 0.631 nan 8.370 nan 0.000 0.521 237 E N 0.138 120.321 120.200 -0.029 0.000 2.462 237 E HA 0.051 4.401 4.350 0.000 0.000 0.255 237 E C 0.205 176.724 176.600 -0.135 0.000 1.311 237 E CA -0.290 56.010 56.400 -0.166 0.000 1.629 237 E CB 0.047 29.700 29.700 -0.079 0.000 1.510 237 E HN 0.497 nan 8.360 nan 0.000 0.438 238 Y N -0.422 119.869 120.300 -0.015 0.000 2.242 238 Y HA -0.018 4.532 4.550 0.000 0.000 0.291 238 Y C 1.564 177.356 175.900 -0.181 0.000 1.137 238 Y CA 0.525 58.599 58.100 -0.044 0.000 1.181 238 Y CB -0.284 38.183 38.460 0.011 0.000 0.989 238 Y HN -0.090 nan 8.280 nan 0.000 0.527 239 K N 0.220 120.349 120.400 -0.450 0.000 2.281 239 K HA -0.141 4.179 4.320 0.000 0.000 0.203 239 K C 0.684 177.250 176.600 -0.058 0.000 1.046 239 K CA 1.419 57.434 56.287 -0.454 0.000 0.938 239 K CB -0.155 32.049 32.500 -0.492 0.000 0.737 239 K HN 0.449 nan 8.250 nan 0.000 0.458 240 D N -0.695 119.657 120.400 -0.080 0.000 2.369 240 D HA 0.024 4.664 4.640 0.000 0.000 0.211 240 D C -0.382 175.878 176.300 -0.066 0.000 1.077 240 D CA 0.321 54.289 54.000 -0.053 0.000 0.842 240 D CB 0.519 41.281 40.800 -0.063 0.000 0.947 240 D HN 0.058 nan 8.370 nan 0.000 0.509 241 c N 2.550 121.128 118.600 -0.037 0.000 3.226 241 c HA 0.249 4.819 4.570 0.000 0.000 0.365 241 c C -1.336 172.788 174.090 0.058 0.000 1.027 241 c CA -0.582 55.716 56.329 -0.052 0.000 1.319 241 c CB -0.539 41.971 42.510 -0.000 0.000 1.718 241 c HN 0.379 nan 8.230 nan 0.000 0.554 242 H N 3.389 122.512 119.070 0.089 0.000 2.894 242 H HA 0.465 5.021 4.556 0.000 0.000 0.367 242 H C -0.350 175.045 175.328 0.112 0.000 1.144 242 H CA -0.808 55.326 56.048 0.143 0.000 1.180 242 H CB 0.938 30.841 29.762 0.235 0.000 1.758 242 H HN 0.310 nan 8.280 nan 0.000 0.541 243 L N 1.406 122.776 121.223 0.245 0.000 2.275 243 L HA 0.193 4.533 4.340 0.000 0.000 0.215 243 L C 1.040 177.990 176.870 0.133 0.000 1.119 243 L CA 1.888 56.817 54.840 0.148 0.000 0.790 243 L CB -0.377 41.779 42.059 0.161 0.000 0.919 243 L HN 0.875 nan 8.230 nan 0.000 0.443 244 A N -1.224 121.761 122.820 0.274 0.000 2.590 244 A HA 0.536 4.856 4.320 0.000 0.000 0.294 244 A C -1.297 176.303 177.584 0.026 0.000 1.046 244 A CA -0.607 51.537 52.037 0.178 0.000 0.684 244 A CB 0.726 19.777 19.000 0.086 0.000 1.279 244 A HN -0.024 nan 8.150 nan 0.000 0.415 245 Q N 0.814 120.513 119.800 -0.169 0.000 2.341 245 Q HA 0.622 4.962 4.340 0.000 0.000 0.268 245 Q C -1.371 174.341 176.000 -0.479 0.000 1.013 245 Q CA -0.640 54.839 55.803 -0.540 0.000 0.798 245 Q CB 1.787 30.177 28.738 -0.579 0.000 1.253 245 Q HN 1.716 nan 8.270 nan 0.000 0.457 246 V N 3.856 123.391 119.914 -0.632 0.000 2.604 246 V HA 0.751 4.871 4.120 0.000 0.000 0.305 246 V C -2.736 173.089 176.094 -0.448 0.000 1.043 246 V CA -2.427 59.486 62.300 -0.645 0.000 0.888 246 V CB 2.053 33.433 31.823 -0.740 0.000 0.995 246 V HN 0.769 nan 8.190 nan 0.000 0.429 247 P HA 0.156 nan 4.420 nan 0.000 0.276 247 P C 0.613 177.822 177.300 -0.151 0.000 1.243 247 P CA 0.214 63.072 63.100 -0.402 0.000 0.768 247 P CB 1.842 33.350 31.700 -0.320 0.000 0.856 248 S N 2.479 118.150 115.700 -0.048 0.000 2.399 248 S HA -0.157 4.313 4.470 0.000 0.000 0.231 248 S C 0.397 175.189 174.600 0.320 0.000 1.022 248 S CA 1.359 59.679 58.200 0.199 0.000 0.983 248 S CB -0.518 62.853 63.200 0.284 0.000 0.803 248 S HN 0.741 nan 8.310 nan 0.000 0.480 249 H N -1.080 118.085 119.070 0.159 0.000 3.141 249 H HA 0.373 4.929 4.556 0.000 0.000 0.309 249 H C -1.547 173.895 175.328 0.190 0.000 1.083 249 H CA -0.383 55.777 56.048 0.186 0.000 1.466 249 H CB 0.831 30.760 29.762 0.278 0.000 2.095 249 H HN 0.025 nan 8.280 nan 0.000 0.467 250 T N 4.290 118.804 114.554 -0.067 0.000 2.916 250 T HA 0.402 4.752 4.350 0.000 0.000 0.298 250 T C -0.716 173.931 174.700 -0.087 0.000 1.031 250 T CA -0.647 61.443 62.100 -0.018 0.000 0.993 250 T CB 1.717 70.606 68.868 0.035 0.000 1.045 250 T HN 0.305 nan 8.240 nan 0.000 0.454 251 V N 3.954 123.857 119.914 -0.019 0.000 2.498 251 V HA 0.566 4.686 4.120 0.000 0.000 0.279 251 V C 0.478 176.504 176.094 -0.114 0.000 1.048 251 V CA -0.441 61.839 62.300 -0.033 0.000 0.967 251 V CB 1.057 32.941 31.823 0.100 0.000 0.988 251 V HN 0.776 nan 8.190 nan 0.000 0.473 252 V N 2.120 121.937 119.914 -0.162 0.000 3.103 252 V HA 1.113 5.233 4.120 0.000 0.000 0.318 252 V C -0.162 175.834 176.094 -0.162 0.000 1.114 252 V CA -0.476 61.733 62.300 -0.152 0.000 1.020 252 V CB 1.753 33.500 31.823 -0.127 0.000 1.085 252 V HN 1.271 nan 8.190 nan 0.000 0.446 253 A N 1.219 123.965 122.820 -0.124 0.000 2.586 253 A HA 0.741 5.061 4.320 0.000 0.000 0.290 253 A C -0.482 177.054 177.584 -0.080 0.000 1.086 253 A CA -1.170 50.801 52.037 -0.110 0.000 0.665 253 A CB 1.099 20.046 19.000 -0.088 0.000 1.279 253 A HN 0.920 nan 8.150 nan 0.000 0.423 254 R N 0.943 121.403 120.500 -0.067 0.000 2.583 254 R HA 0.285 4.625 4.340 0.000 0.000 0.274 254 R C 0.433 176.706 176.300 -0.045 0.000 0.998 254 R CA 0.332 56.401 56.100 -0.052 0.000 1.081 254 R CB 0.267 30.542 30.300 -0.042 0.000 0.940 254 R HN 0.705 nan 8.270 nan 0.000 0.413 258 G N 0.522 109.312 108.800 -0.016 0.000 3.042 258 G HA2 0.303 4.263 3.960 0.000 0.000 0.212 258 G HA3 0.303 4.263 3.960 0.000 0.000 0.212 258 G C 0.853 175.748 174.900 -0.007 0.000 1.166 258 G CA 0.255 45.341 45.100 -0.023 0.000 0.767 258 G HN 0.514 nan 8.290 nan 0.000 0.546 259 K N 0.504 120.908 120.400 0.008 0.000 3.162 259 K HA -0.180 4.140 4.320 0.000 0.000 0.268 259 K C 1.634 178.262 176.600 0.046 0.000 1.062 259 K CA 0.702 57.007 56.287 0.031 0.000 0.769 259 K CB -0.927 31.596 32.500 0.039 0.000 1.274 259 K HN 0.656 nan 8.250 nan 0.000 0.478 260 E N 0.500 120.717 120.200 0.029 0.000 2.077 260 E HA -0.242 4.108 4.350 0.000 0.000 0.193 260 E C 0.895 177.556 176.600 0.102 0.000 0.989 260 E CA 1.761 58.184 56.400 0.039 0.000 0.800 260 E CB -0.051 29.642 29.700 -0.012 0.000 0.746 260 E HN 0.371 nan 8.360 nan 0.000 0.452 261 D N 1.147 121.604 120.400 0.095 0.000 2.117 261 D HA -0.125 4.516 4.640 0.000 0.000 0.197 261 D C 2.071 178.487 176.300 0.194 0.000 0.987 261 D CA 0.891 54.984 54.000 0.155 0.000 0.829 261 D CB -0.380 40.486 40.800 0.109 0.000 0.961 261 D HN 0.188 nan 8.370 nan 0.000 0.460 262 L N 0.514 121.817 121.223 0.134 0.000 2.201 262 L HA -0.026 4.314 4.340 0.000 0.000 0.212 262 L C 1.881 178.840 176.870 0.149 0.000 1.105 262 L CA 1.186 56.099 54.840 0.122 0.000 0.775 262 L CB -0.281 41.833 42.059 0.092 0.000 0.913 262 L HN 0.018 nan 8.230 nan 0.000 0.440 263 I N -1.887 118.790 120.570 0.178 0.000 2.439 263 I HA -0.270 3.900 4.170 0.000 0.000 0.251 263 I C 2.289 178.560 176.117 0.257 0.000 1.139 263 I CA 1.172 62.605 61.300 0.221 0.000 1.438 263 I CB -0.442 37.670 38.000 0.187 0.000 1.085 263 I HN 0.555 nan 8.210 nan 0.000 0.427 264 W N 2.256 123.596 121.300 0.066 0.000 2.409 264 W HA -0.191 4.469 4.660 0.000 0.000 0.299 264 W C 2.140 178.709 176.519 0.084 0.000 1.203 264 W CA 1.246 58.627 57.345 0.059 0.000 1.298 264 W CB -0.002 29.483 29.460 0.041 0.000 1.127 264 W HN 0.155 nan 8.180 nan 0.000 0.528 265 E N 0.934 121.122 120.200 -0.020 0.000 2.265 265 E HA -0.256 4.094 4.350 0.000 0.000 0.196 265 E C 2.309 178.835 176.600 -0.124 0.000 0.996 265 E CA 1.352 57.675 56.400 -0.129 0.000 0.832 265 E CB -0.311 29.397 29.700 0.013 0.000 0.756 265 E HN 0.438 nan 8.360 nan 0.000 0.491 266 L N -0.342 120.868 121.223 -0.023 0.000 2.121 266 L HA -0.025 4.315 4.340 0.000 0.000 0.200 266 L C 2.174 179.070 176.870 0.044 0.000 1.077 266 L CA 0.702 55.567 54.840 0.041 0.000 0.766 266 L CB -0.253 41.905 42.059 0.164 0.000 0.931 266 L HN 0.119 nan 8.230 nan 0.000 0.452 267 L N 0.751 122.004 121.223 0.051 0.000 2.043 267 L HA -0.270 4.070 4.340 0.000 0.000 0.212 267 L C 2.445 179.322 176.870 0.011 0.000 1.075 267 L CA 1.844 56.716 54.840 0.052 0.000 0.752 267 L CB -0.859 41.029 42.059 -0.284 0.000 0.891 267 L HN 0.489 nan 8.230 nan 0.000 0.432 268 N N 0.238 118.651 118.700 -0.479 0.000 2.028 268 N HA -0.252 4.488 4.740 0.000 0.000 0.194 268 N C 1.799 177.121 175.510 -0.314 0.000 1.050 268 N CA 1.438 54.102 53.050 -0.643 0.000 0.848 268 N CB -0.170 37.488 38.487 -1.381 0.000 1.038 268 N HN 0.183 nan 8.380 nan 0.000 0.423 269 Q N -1.246 118.369 119.800 -0.308 0.000 2.576 269 Q HA -0.002 4.338 4.340 0.000 0.000 0.218 269 Q C 0.847 176.701 176.000 -0.244 0.000 0.983 269 Q CA 0.875 56.506 55.803 -0.286 0.000 0.920 269 Q CB -0.045 28.581 28.738 -0.186 0.000 0.973 269 Q HN 0.539 nan 8.270 nan 0.000 0.528 270 A N -0.196 122.585 122.820 -0.065 0.000 2.055 270 A HA -0.076 4.244 4.320 0.000 0.000 0.205 270 A C 1.710 179.334 177.584 0.066 0.000 1.235 270 A CA 0.270 52.388 52.037 0.136 0.000 0.822 270 A CB 0.007 19.209 19.000 0.337 0.000 0.903 270 A HN 0.484 nan 8.150 nan 0.000 0.473 271 Q N -0.611 119.175 119.800 -0.023 0.000 2.435 271 Q HA -0.004 4.336 4.340 0.000 0.000 0.207 271 Q C 1.206 177.122 176.000 -0.140 0.000 0.956 271 Q CA 1.503 57.223 55.803 -0.139 0.000 0.917 271 Q CB -0.041 28.649 28.738 -0.080 0.000 0.997 271 Q HN 0.409 nan 8.270 nan 0.000 0.497 272 E N -0.290 119.793 120.200 -0.195 0.000 2.415 272 E HA -0.022 4.328 4.350 0.000 0.000 0.197 272 E C 1.121 177.549 176.600 -0.287 0.000 1.007 272 E CA 0.619 56.874 56.400 -0.240 0.000 0.890 272 E CB 0.311 29.834 29.700 -0.295 0.000 0.891 272 E HN 0.467 nan 8.360 nan 0.000 0.496 273 H N -1.531 117.350 119.070 -0.315 0.000 2.379 273 H HA 0.174 4.730 4.556 0.000 0.000 0.308 273 H C 0.415 175.210 175.328 -0.889 0.000 1.047 273 H CA 0.839 56.479 56.048 -0.681 0.000 1.371 273 H CB -0.007 29.165 29.762 -0.984 0.000 1.449 273 H HN 0.120 nan 8.280 nan 0.000 0.564 274 F N 0.638 120.600 119.950 0.020 0.000 2.791 274 F HA 0.414 4.941 4.527 0.000 0.000 0.308 274 F C 1.411 177.012 175.800 -0.331 0.000 1.138 274 F CA -0.402 57.523 58.000 -0.125 0.000 1.294 274 F CB 0.198 39.184 39.000 -0.023 0.000 0.975 274 F HN 0.008 nan 8.300 nan 0.000 0.512 275 G N 0.139 108.814 108.800 -0.209 0.000 2.588 275 G HA2 0.160 4.120 3.960 0.000 0.000 0.278 275 G HA3 0.160 4.120 3.960 0.000 0.000 0.278 275 G C -0.408 174.362 174.900 -0.215 0.000 1.307 275 G CA -0.759 44.151 45.100 -0.316 0.000 1.016 275 G HN 0.147 nan 8.290 nan 0.000 0.503 276 K N 0.452 120.797 120.400 -0.093 0.000 2.401 276 K HA -0.053 4.267 4.320 0.000 0.000 0.267 276 K C 0.233 176.769 176.600 -0.108 0.000 1.140 276 K CA 1.201 57.439 56.287 -0.081 0.000 1.199 276 K CB -0.377 32.036 32.500 -0.146 0.000 0.822 276 K HN 0.507 nan 8.250 nan 0.000 0.488 277 D N 1.286 121.622 120.400 -0.106 0.000 3.006 277 D HA -0.261 4.379 4.640 0.000 0.000 0.208 277 D C 0.752 177.005 176.300 -0.079 0.000 1.116 277 D CA 1.729 55.678 54.000 -0.084 0.000 0.998 277 D CB -0.833 39.923 40.800 -0.073 0.000 1.124 277 D HN 0.678 nan 8.370 nan 0.000 0.413 278 K N 0.613 120.955 120.400 -0.097 0.000 1.970 278 K HA -0.057 4.263 4.320 0.000 0.000 0.225 278 K C 1.033 177.579 176.600 -0.090 0.000 1.045 278 K CA 1.826 58.053 56.287 -0.100 0.000 1.002 278 K CB -0.146 32.273 32.500 -0.136 0.000 0.743 278 K HN 0.190 nan 8.250 nan 0.000 0.445 279 S N -1.103 114.545 115.700 -0.086 0.000 2.713 279 S HA 0.260 4.730 4.470 0.000 0.000 0.283 279 S C 0.231 174.826 174.600 -0.008 0.000 1.161 279 S CA -0.572 57.605 58.200 -0.038 0.000 0.999 279 S CB 1.074 64.284 63.200 0.016 0.000 1.039 279 S HN 0.312 nan 8.310 nan 0.000 0.548 280 K N 0.564 120.973 120.400 0.016 0.000 2.380 280 K HA 0.188 4.508 4.320 0.000 0.000 0.198 280 K C 1.194 177.824 176.600 0.050 0.000 1.070 280 K CA 0.082 56.380 56.287 0.019 0.000 1.040 280 K CB 0.157 32.665 32.500 0.014 0.000 0.903 280 K HN 0.548 nan 8.250 nan 0.000 0.549 281 E N 0.271 120.517 120.200 0.077 0.000 2.216 281 E HA 0.001 4.351 4.350 0.000 0.000 0.192 281 E C -0.697 175.931 176.600 0.047 0.000 0.988 281 E CA 0.694 57.147 56.400 0.088 0.000 0.834 281 E CB 0.300 30.067 29.700 0.112 0.000 0.772 281 E HN 0.056 nan 8.360 nan 0.000 0.479 282 F N 0.202 120.049 119.950 -0.173 0.000 2.651 282 F HA 0.342 4.869 4.527 0.000 0.000 0.329 282 F C -1.830 173.931 175.800 -0.065 0.000 1.186 282 F CA -0.909 56.938 58.000 -0.254 0.000 1.046 282 F CB 1.289 39.752 39.000 -0.895 0.000 1.296 282 F HN -0.328 nan 8.300 nan 0.000 0.497 283 Q N 6.379 125.792 119.800 -0.645 0.000 2.509 283 Q HA 0.318 4.658 4.340 0.000 0.000 0.230 283 Q C 0.988 176.378 176.000 -1.017 0.000 1.089 283 Q CA -0.383 55.041 55.803 -0.632 0.000 0.901 283 Q CB 1.205 29.773 28.738 -0.284 0.000 1.208 283 Q HN 0.835 nan 8.270 nan 0.000 0.529 284 L N 1.589 122.064 121.223 -1.247 0.000 2.064 284 L HA -0.182 4.159 4.340 0.000 0.000 0.216 284 L C 0.430 176.897 176.870 -0.671 0.000 1.077 284 L CA 2.011 56.206 54.840 -1.074 0.000 0.766 284 L CB -0.049 41.366 42.059 -1.073 0.000 0.890 284 L HN 0.602 nan 8.230 nan 0.000 0.435 285 F N -0.836 118.937 119.950 -0.295 0.000 2.798 285 F HA 0.409 4.936 4.527 0.000 0.000 0.291 285 F C 0.771 176.498 175.800 -0.121 0.000 1.174 285 F CA -0.298 57.605 58.000 -0.162 0.000 1.392 285 F CB -0.599 38.275 39.000 -0.209 0.000 0.966 285 F HN -0.021 nan 8.300 nan 0.000 0.509 286 S N -0.437 115.235 115.700 -0.047 0.000 2.538 286 S HA 0.636 5.106 4.470 0.000 0.000 0.288 286 S C -0.405 174.171 174.600 -0.040 0.000 1.108 286 S CA -0.382 57.796 58.200 -0.037 0.000 0.971 286 S CB 1.168 64.324 63.200 -0.072 0.000 1.041 286 S HN -0.046 nan 8.310 nan 0.000 0.483 287 S N 5.608 121.283 115.700 -0.042 0.000 2.516 287 S HA 0.327 4.797 4.470 0.000 0.000 0.268 287 S C -2.045 172.485 174.600 -0.117 0.000 1.251 287 S CA -0.977 57.150 58.200 -0.122 0.000 1.153 287 S CB 1.329 64.451 63.200 -0.129 0.000 1.009 287 S HN 0.551 nan 8.310 nan 0.000 0.479 288 P HA -0.134 nan 4.420 nan 0.000 0.216 288 P C 0.141 177.501 177.300 0.100 0.000 1.150 288 P CA 1.253 64.407 63.100 0.091 0.000 0.843 288 P CB -0.023 31.823 31.700 0.243 0.000 0.787 289 H N -1.357 117.670 119.070 -0.072 0.000 2.697 289 H HA 0.647 5.203 4.556 0.000 0.000 0.270 289 H C 0.675 175.860 175.328 -0.238 0.000 1.188 289 H CA -0.617 55.313 56.048 -0.196 0.000 1.322 289 H CB -0.133 29.451 29.762 -0.296 0.000 1.405 289 H HN 0.171 nan 8.280 nan 0.000 0.502 290 G N 1.844 110.562 108.800 -0.138 0.000 2.655 290 G HA2 -0.104 3.856 3.960 0.000 0.000 0.680 290 G HA3 -0.104 3.856 3.960 0.000 0.000 0.680 290 G C -1.439 173.426 174.900 -0.059 0.000 1.302 290 G CA -1.061 43.987 45.100 -0.087 0.000 0.872 290 G HN 0.565 nan 8.290 nan 0.000 0.540 291 K N 0.885 121.281 120.400 -0.007 0.000 2.259 291 K HA 0.635 4.955 4.320 0.000 0.000 0.249 291 K C -0.357 176.260 176.600 0.029 0.000 0.942 291 K CA -0.063 56.227 56.287 0.005 0.000 0.816 291 K CB 1.211 33.720 32.500 0.015 0.000 1.155 291 K HN 0.714 nan 8.250 nan 0.000 0.428 292 D N 1.798 122.218 120.400 0.033 0.000 3.133 292 D HA -0.197 4.443 4.640 0.000 0.000 0.239 292 D C -1.091 175.263 176.300 0.090 0.000 1.136 292 D CA 0.633 54.668 54.000 0.058 0.000 0.898 292 D CB -0.821 39.999 40.800 0.034 0.000 0.959 292 D HN 0.101 nan 8.370 nan 0.000 0.415 293 L N 1.681 122.952 121.223 0.081 0.000 2.333 293 L HA 0.345 4.685 4.340 0.000 0.000 0.280 293 L C 1.221 178.114 176.870 0.038 0.000 1.004 293 L CA -0.558 54.322 54.840 0.067 0.000 0.820 293 L CB 1.609 43.672 42.059 0.006 0.000 1.247 293 L HN 0.231 nan 8.230 nan 0.000 0.416 294 L N 2.478 123.690 121.223 -0.018 0.000 4.596 294 L HA -0.326 4.014 4.340 0.000 0.000 0.380 294 L C -0.453 175.975 176.870 -0.736 0.000 0.745 294 L CA 1.890 56.509 54.840 -0.368 0.000 2.543 294 L CB -1.388 40.308 42.059 -0.605 0.000 0.940 294 L HN 0.473 nan 8.230 nan 0.000 0.663 295 F N -1.370 118.778 119.950 0.330 0.000 2.645 295 F HA 0.502 5.029 4.527 0.000 0.000 0.310 295 F C 0.578 176.546 175.800 0.280 0.000 1.102 295 F CA -1.277 57.001 58.000 0.463 0.000 0.952 295 F CB 1.209 40.522 39.000 0.522 0.000 1.326 295 F HN -0.325 nan 8.300 nan 0.000 0.456 296 K N 1.109 121.697 120.400 0.313 0.000 2.326 296 K HA 0.063 4.383 4.320 0.000 0.000 0.275 296 K C 0.190 176.863 176.600 0.122 0.000 1.018 296 K CA -0.139 56.171 56.287 0.038 0.000 0.962 296 K CB 0.661 33.079 32.500 -0.137 0.000 0.953 296 K HN 0.553 nan 8.250 nan 0.000 0.475 297 D N 0.639 121.085 120.400 0.076 0.000 2.133 297 D HA -0.152 4.488 4.640 0.000 0.000 0.195 297 D C 1.393 177.729 176.300 0.059 0.000 0.997 297 D CA 1.644 55.691 54.000 0.077 0.000 0.840 297 D CB -0.037 40.785 40.800 0.037 0.000 0.947 297 D HN 0.545 nan 8.370 nan 0.000 0.452 298 S N -0.425 115.307 115.700 0.053 0.000 2.650 298 S HA 0.323 4.793 4.470 0.000 0.000 0.219 298 S C 0.838 175.576 174.600 0.229 0.000 0.960 298 S CA -0.199 58.064 58.200 0.104 0.000 0.925 298 S CB -0.114 63.101 63.200 0.024 0.000 0.775 298 S HN 0.257 nan 8.310 nan 0.000 0.525 299 A N 1.115 123.913 122.820 -0.037 0.000 2.440 299 A HA 0.445 4.765 4.320 0.000 0.000 0.251 299 A C 0.631 177.686 177.584 -0.882 0.000 1.089 299 A CA -0.220 51.466 52.037 -0.584 0.000 0.779 299 A CB 0.053 18.425 19.000 -1.046 0.000 1.022 299 A HN 0.478 nan 8.150 nan 0.000 0.492 300 H N 0.648 119.018 119.070 -1.168 0.000 2.582 300 H HA 0.394 4.950 4.556 0.000 0.000 0.269 300 H C 1.150 175.854 175.328 -1.040 0.000 0.962 300 H CA 0.798 56.287 56.048 -0.930 0.000 1.230 300 H CB 0.753 30.072 29.762 -0.739 0.000 1.445 300 H HN 1.014 nan 8.280 nan 0.000 0.528 301 G N -1.532 106.410 108.800 -1.430 0.000 2.325 301 G HA2 0.306 4.266 3.960 0.000 0.000 0.295 301 G HA3 0.306 4.266 3.960 0.000 0.000 0.295 301 G C -1.653 172.922 174.900 -0.542 0.000 1.274 301 G CA -0.862 43.786 45.100 -0.754 0.000 0.857 301 G HN -0.031 nan 8.290 nan 0.000 0.499 302 F N -0.747 119.400 119.950 0.328 0.000 2.594 302 F HA 0.912 5.440 4.527 0.000 0.000 0.335 302 F C 0.334 176.543 175.800 0.680 0.000 1.058 302 F CA -1.315 56.954 58.000 0.447 0.000 0.981 302 F CB 2.061 41.312 39.000 0.418 0.000 1.289 302 F HN 0.323 nan 8.300 nan 0.000 0.490 303 L N 1.525 123.223 121.223 0.791 0.000 2.562 303 L HA 0.295 4.635 4.340 0.000 0.000 0.266 303 L C -0.760 176.167 176.870 0.096 0.000 0.949 303 L CA -0.901 54.217 54.840 0.463 0.000 0.879 303 L CB 2.349 44.648 42.059 0.400 0.000 1.278 303 L HN 0.529 nan 8.230 nan 0.000 0.404 304 K N 1.933 121.946 120.400 -0.644 0.000 2.355 304 K HA 0.388 4.708 4.320 0.000 0.000 0.270 304 K C -0.893 175.416 176.600 -0.485 0.000 1.003 304 K CA -0.191 55.566 56.287 -0.884 0.000 0.957 304 K CB 1.066 32.658 32.500 -1.512 0.000 0.939 304 K HN 0.306 nan 8.250 nan 0.000 0.482 305 V N 6.388 125.980 119.914 -0.536 0.000 2.481 305 V HA 0.297 4.417 4.120 0.000 0.000 0.286 305 V C -2.127 173.660 176.094 -0.512 0.000 1.042 305 V CA -2.118 59.740 62.300 -0.736 0.000 0.928 305 V CB 1.216 32.612 31.823 -0.712 0.000 0.986 305 V HN 0.875 nan 8.190 nan 0.000 0.462 306 P HA 0.072 nan 4.420 nan 0.000 0.264 306 P C -1.694 175.473 177.300 -0.221 0.000 1.183 306 P CA -0.783 62.169 63.100 -0.247 0.000 0.763 306 P CB 0.167 31.774 31.700 -0.154 0.000 0.807 307 P HA -0.133 nan 4.420 nan 0.000 0.220 307 P C 0.651 177.893 177.300 -0.097 0.000 1.148 307 P CA 1.136 64.161 63.100 -0.126 0.000 0.803 307 P CB 0.320 31.967 31.700 -0.088 0.000 0.782 311 A N 0.082 122.844 122.820 -0.098 0.000 1.917 311 A HA -0.118 4.202 4.320 0.000 0.000 0.219 311 A C 1.189 178.686 177.584 -0.144 0.000 1.182 311 A CA 1.210 53.182 52.037 -0.108 0.000 0.633 311 A CB -0.748 18.163 19.000 -0.149 0.000 0.819 311 A HN 0.468 nan 8.150 nan 0.000 0.448 315 L N 0.799 122.035 121.223 0.023 0.000 2.109 315 L HA 0.331 4.672 4.340 0.000 0.000 0.207 315 L C 1.036 177.841 176.870 -0.109 0.000 1.086 315 L CA 1.325 56.077 54.840 -0.148 0.000 0.760 315 L CB -0.684 41.354 42.059 -0.035 0.000 0.910 315 L HN 0.469 nan 8.230 nan 0.000 0.437 316 G N -1.547 107.243 108.800 -0.017 0.000 2.650 316 G HA2 -0.286 3.674 3.960 0.000 0.000 0.686 316 G HA3 -0.286 3.674 3.960 0.000 0.000 0.686 316 G C -0.079 174.851 174.900 0.051 0.000 1.205 316 G CA -0.118 44.984 45.100 0.003 0.000 0.781 316 G HN 0.262 nan 8.290 nan 0.000 0.648 317 Y N 0.016 120.330 120.300 0.023 0.000 2.145 317 Y HA -0.000 4.550 4.550 -0.000 0.000 0.286 317 Y C 2.319 178.231 175.900 0.020 0.000 1.145 317 Y CA 2.297 60.407 58.100 0.016 0.000 1.148 317 Y CB -0.537 37.924 38.460 0.001 0.000 0.981 317 Y HN 0.674 nan 8.280 nan 0.000 0.507 318 E N 0.351 119.997 120.200 -0.924 0.000 2.033 318 E HA -0.244 4.106 4.350 0.000 0.000 0.199 318 E C 1.985 178.439 176.600 -0.243 0.000 1.011 318 E CA 1.965 57.983 56.400 -0.636 0.000 0.815 318 E CB -0.965 28.393 29.700 -0.570 0.000 0.755 318 E HN 0.621 nan 8.360 nan 0.000 0.451 319 Y N 1.256 121.400 120.300 -0.260 0.000 2.014 319 Y HA -0.340 4.210 4.550 0.000 0.000 0.272 319 Y C 2.259 178.034 175.900 -0.207 0.000 1.164 319 Y CA 1.859 59.840 58.100 -0.198 0.000 1.114 319 Y CB -0.627 37.729 38.460 -0.173 0.000 0.961 319 Y HN -0.110 nan 8.280 nan 0.000 0.489 320 V N 0.111 120.008 119.914 -0.028 0.000 2.282 320 V HA -0.416 3.704 4.120 0.000 0.000 0.249 320 V C 2.487 178.454 176.094 -0.212 0.000 1.057 320 V CA 2.773 64.991 62.300 -0.137 0.000 1.032 320 V CB -1.673 30.172 31.823 0.036 0.000 0.645 320 V HN 0.739 nan 8.190 nan 0.000 0.447 321 T N -0.809 113.674 114.554 -0.118 0.000 2.788 321 T HA -0.168 4.182 4.350 0.000 0.000 0.268 321 T C 1.930 176.516 174.700 -0.190 0.000 1.044 321 T CA 1.566 63.608 62.100 -0.098 0.000 1.139 321 T CB -0.554 68.311 68.868 -0.004 0.000 0.867 321 T HN 0.516 nan 8.240 nan 0.000 0.454 322 A N 1.465 124.128 122.820 -0.262 0.000 1.877 322 A HA 0.142 4.462 4.320 0.000 0.000 0.216 322 A C 2.405 179.761 177.584 -0.381 0.000 1.186 322 A CA 1.391 53.244 52.037 -0.306 0.000 0.620 322 A CB -0.919 17.881 19.000 -0.334 0.000 0.822 322 A HN 0.584 nan 8.150 nan 0.000 0.443 323 I N -1.160 119.096 120.570 -0.523 0.000 2.394 323 I HA -0.217 3.953 4.170 0.000 0.000 0.251 323 I C 2.594 178.465 176.117 -0.410 0.000 1.136 323 I CA 1.079 62.065 61.300 -0.522 0.000 1.425 323 I CB -0.156 37.397 38.000 -0.746 0.000 1.079 323 I HN 0.285 nan 8.210 nan 0.000 0.425 324 R N 0.544 120.817 120.500 -0.378 0.000 2.073 324 R HA -0.156 4.184 4.340 0.000 0.000 0.234 324 R C 2.056 178.209 176.300 -0.246 0.000 1.134 324 R CA 1.704 57.677 56.100 -0.212 0.000 0.952 324 R CB -0.449 29.787 30.300 -0.106 0.000 0.850 324 R HN 0.436 nan 8.270 nan 0.000 0.433 325 N N 0.882 119.392 118.700 -0.317 0.000 2.069 325 N HA -0.176 4.564 4.740 0.000 0.000 0.191 325 N C 1.718 176.778 175.510 -0.749 0.000 1.031 325 N CA 1.070 53.807 53.050 -0.521 0.000 0.852 325 N CB -0.419 37.792 38.487 -0.460 0.000 1.018 325 N HN 0.027 nan 8.380 nan 0.000 0.423 326 L N 1.390 122.301 121.223 -0.521 0.000 1.990 326 L HA -0.159 4.181 4.340 0.000 0.000 0.213 326 L C 2.225 178.936 176.870 -0.265 0.000 1.072 326 L CA 1.745 56.357 54.840 -0.380 0.000 0.755 326 L CB -0.391 41.533 42.059 -0.226 0.000 0.889 326 L HN 0.195 nan 8.230 nan 0.000 0.432 327 R N -1.410 118.975 120.500 -0.193 0.000 2.100 327 R HA -0.011 4.329 4.340 0.000 0.000 0.220 327 R C 2.019 178.270 176.300 -0.081 0.000 1.091 327 R CA 1.036 57.083 56.100 -0.088 0.000 0.986 327 R CB -0.126 30.170 30.300 -0.006 0.000 0.888 327 R HN 0.471 nan 8.270 nan 0.000 0.444 328 E N 0.023 120.153 120.200 -0.116 0.000 2.099 328 E HA 0.097 4.447 4.350 0.000 0.000 0.191 328 E C 0.371 176.908 176.600 -0.105 0.000 0.962 328 E CA 0.348 56.703 56.400 -0.076 0.000 0.826 328 E CB 0.289 29.962 29.700 -0.046 0.000 0.788 328 E HN 0.335 nan 8.360 nan 0.000 0.461 329 G N 2.504 111.159 108.800 -0.242 0.000 2.547 329 G HA2 -0.206 3.754 3.960 0.000 0.000 0.226 329 G HA3 -0.206 3.754 3.960 0.000 0.000 0.226 329 G C -0.156 174.759 174.900 0.024 0.000 0.871 329 G CA 0.554 45.529 45.100 -0.207 0.000 1.142 329 G HN 0.277 nan 8.290 nan 0.000 0.362 330 T N -1.639 112.946 114.554 0.051 0.000 3.237 330 T HA 0.601 4.951 4.350 0.000 0.000 0.319 330 T C -0.190 174.561 174.700 0.086 0.000 1.037 330 T CA -0.351 61.789 62.100 0.066 0.000 1.048 330 T CB 1.228 70.111 68.868 0.024 0.000 1.081 330 T HN 1.114 nan 8.240 nan 0.000 0.455 331 c N 4.165 122.816 118.600 0.086 0.000 2.634 331 c HA 0.851 5.421 4.570 0.000 0.000 0.313 331 c C -1.809 172.301 174.090 0.032 0.000 1.198 331 c CA -1.282 55.084 56.329 0.063 0.000 1.605 331 c CB 1.272 43.817 42.510 0.058 0.000 2.196 331 c HN 0.938 nan 8.230 nan 0.000 0.486 332 P HA 0.183 nan 4.420 nan 0.000 0.271 332 P C 0.240 177.545 177.300 0.008 0.000 1.218 332 P CA 0.287 63.394 63.100 0.013 0.000 0.780 332 P CB 1.078 32.784 31.700 0.010 0.000 0.901 333 E N 2.594 122.798 120.200 0.006 0.000 2.015 333 E HA -0.040 4.310 4.350 0.000 0.000 0.191 333 E C 0.603 177.203 176.600 0.000 0.000 0.991 333 E CA 1.243 57.645 56.400 0.003 0.000 0.802 333 E CB -0.582 29.120 29.700 0.003 0.000 0.759 333 E HN 0.605 nan 8.360 nan 0.000 0.447 334 A N 1.096 123.917 122.820 0.001 0.000 2.444 334 A HA 0.419 4.739 4.320 0.000 0.000 0.332 334 A C -1.920 175.665 177.584 0.002 0.000 1.430 334 A CA -1.262 50.775 52.037 0.001 0.000 0.975 334 A CB 0.158 19.159 19.000 0.001 0.000 1.147 334 A HN 0.180 nan 8.150 nan 0.000 0.524 335 P HA 0.023 nan 4.420 nan 0.000 0.202 335 P C 0.933 178.235 177.300 0.004 0.000 1.027 335 P CA 1.945 65.047 63.100 0.003 0.000 0.791 335 P CB 0.110 31.810 31.700 0.001 0.000 0.612 336 T N -3.027 111.530 114.554 0.005 0.000 10.665 336 T HA -0.223 4.127 4.350 0.000 0.000 0.384 336 T C -0.084 174.621 174.700 0.008 0.000 1.689 336 T CA 1.360 63.463 62.100 0.006 0.000 2.678 336 T CB -2.248 66.623 68.868 0.005 0.000 2.663 336 T HN 0.546 nan 8.240 nan 0.000 0.987 337 D N 0.195 120.600 120.400 0.009 0.000 2.737 337 D HA -0.132 4.508 4.640 0.000 0.000 0.243 337 D C 0.325 176.631 176.300 0.010 0.000 1.109 337 D CA 1.040 55.046 54.000 0.010 0.000 0.702 337 D CB -1.174 39.634 40.800 0.012 0.000 1.068 337 D HN 0.629 nan 8.370 nan 0.000 0.432 338 E N -0.736 119.469 120.200 0.009 0.000 2.463 338 E HA 0.167 4.517 4.350 0.000 0.000 0.191 338 E C -0.156 176.450 176.600 0.010 0.000 1.083 338 E CA 0.206 56.611 56.400 0.009 0.000 0.872 338 E CB 0.000 29.704 29.700 0.007 0.000 0.966 338 E HN 0.529 nan 8.360 nan 0.000 0.491 339 c N 1.296 119.903 118.600 0.010 0.000 2.157 339 c HA -0.144 4.426 4.570 0.000 0.000 0.262 339 c C 0.088 174.181 174.090 0.004 0.000 0.824 339 c CA -0.373 55.963 56.329 0.011 0.000 2.971 339 c CB -1.465 41.057 42.510 0.019 0.000 1.707 339 c HN 0.378 nan 8.230 nan 0.000 0.332 340 K N 3.150 123.550 120.400 0.001 0.000 2.440 340 K HA 0.275 4.595 4.320 0.000 0.000 0.270 340 K C -1.831 174.762 176.600 -0.012 0.000 0.980 340 K CA -0.408 55.875 56.287 -0.006 0.000 0.953 340 K CB 0.277 32.774 32.500 -0.006 0.000 0.925 340 K HN 0.349 nan 8.250 nan 0.000 0.497 341 P HA -0.075 nan 4.420 nan 0.000 0.265 341 P C -0.884 176.395 177.300 -0.035 0.000 1.187 341 P CA -0.109 62.966 63.100 -0.043 0.000 0.766 341 P CB 0.426 32.092 31.700 -0.058 0.000 0.820 342 V N 4.658 124.548 119.914 -0.039 0.000 2.455 342 V HA 0.069 4.189 4.120 0.000 0.000 0.273 342 V C 0.769 176.864 176.094 0.002 0.000 1.045 342 V CA 0.035 62.336 62.300 0.001 0.000 0.976 342 V CB 0.064 31.916 31.823 0.047 0.000 0.993 342 V HN 0.421 nan 8.190 nan 0.000 0.475 343 K N 5.834 126.245 120.400 0.018 0.000 2.267 343 K HA 0.215 4.535 4.320 0.000 0.000 0.282 343 K C -0.395 176.256 176.600 0.086 0.000 1.078 343 K CA -0.275 56.027 56.287 0.025 0.000 0.903 343 K CB 1.155 33.650 32.500 -0.009 0.000 1.111 343 K HN 0.698 nan 8.250 nan 0.000 0.475 344 W N 3.342 124.583 121.300 -0.099 0.000 2.332 344 W HA 0.291 4.951 4.660 -0.000 0.000 0.351 344 W C -0.639 175.852 176.519 -0.046 0.000 1.195 344 W CA -0.785 56.526 57.345 -0.058 0.000 1.334 344 W CB 1.595 31.036 29.460 -0.031 0.000 1.206 344 W HN 0.427 nan 8.180 nan 0.000 0.637 345 c N 3.956 122.409 118.600 -0.246 0.000 2.319 345 c HA 0.735 5.305 4.570 0.000 0.000 0.323 345 c C 0.112 174.208 174.090 0.009 0.000 1.277 345 c CA -0.340 55.922 56.329 -0.112 0.000 1.517 345 c CB -0.480 41.896 42.510 -0.223 0.000 2.206 345 c HN 0.570 nan 8.230 nan 0.000 0.486 346 A N 5.801 128.672 122.820 0.085 0.000 2.290 346 A HA 0.641 4.961 4.320 0.000 0.000 0.310 346 A C 0.252 177.855 177.584 0.032 0.000 1.202 346 A CA -0.505 51.592 52.037 0.101 0.000 0.837 346 A CB 0.300 19.367 19.000 0.112 0.000 1.139 346 A HN 1.199 nan 8.150 nan 0.000 0.509 347 L N 1.282 122.518 121.223 0.022 0.000 3.110 347 L HA 0.552 4.892 4.340 0.000 0.000 0.266 347 L C 0.115 176.997 176.870 0.020 0.000 1.257 347 L CA 0.045 54.882 54.840 -0.006 0.000 1.038 347 L CB -0.550 41.479 42.059 -0.050 0.000 1.395 347 L HN 0.598 nan 8.230 nan 0.000 0.566 348 S N -2.277 113.449 115.700 0.044 0.000 2.595 348 S HA 0.268 4.738 4.470 0.000 0.000 0.270 348 S C 0.325 174.966 174.600 0.069 0.000 1.145 348 S CA -0.401 57.831 58.200 0.054 0.000 0.825 348 S CB 1.194 64.439 63.200 0.075 0.000 1.107 348 S HN 0.324 nan 8.310 nan 0.000 0.461 349 H N 1.526 120.527 119.070 -0.115 0.000 2.270 349 H HA 0.012 4.568 4.556 -0.000 0.000 0.299 349 H C 1.767 177.002 175.328 -0.154 0.000 1.077 349 H CA 2.921 58.861 56.048 -0.180 0.000 1.294 349 H CB -0.369 29.201 29.762 -0.321 0.000 1.371 349 H HN 0.729 nan 8.280 nan 0.000 0.491 350 H N 0.041 119.165 119.070 0.089 0.000 2.456 350 H HA -0.073 4.483 4.556 0.000 0.000 0.296 350 H C 2.147 177.482 175.328 0.011 0.000 1.079 350 H CA 1.333 57.382 56.048 0.001 0.000 1.322 350 H CB -0.032 29.755 29.762 0.041 0.000 1.388 350 H HN 0.590 nan 8.280 nan 0.000 0.538 351 E N 0.311 120.589 120.200 0.130 0.000 2.112 351 E HA -0.120 4.230 4.350 0.000 0.000 0.190 351 E C 2.363 179.016 176.600 0.088 0.000 0.979 351 E CA 0.182 56.653 56.400 0.117 0.000 0.814 351 E CB 0.279 30.049 29.700 0.117 0.000 0.762 351 E HN 0.043 nan 8.360 nan 0.000 0.460 352 R N 0.931 121.458 120.500 0.044 0.000 2.073 352 R HA -0.110 4.230 4.340 0.000 0.000 0.234 352 R C 2.102 178.397 176.300 -0.009 0.000 1.134 352 R CA 1.323 57.438 56.100 0.024 0.000 0.952 352 R CB -0.764 29.542 30.300 0.010 0.000 0.850 352 R HN 0.170 nan 8.270 nan 0.000 0.433 353 L N 0.508 121.688 121.223 -0.073 0.000 1.956 353 L HA -0.246 4.094 4.340 0.000 0.000 0.216 353 L C 2.596 179.472 176.870 0.010 0.000 1.073 353 L CA 2.231 57.031 54.840 -0.068 0.000 0.762 353 L CB -0.688 41.309 42.059 -0.102 0.000 0.889 353 L HN 0.278 nan 8.230 nan 0.000 0.433 354 K N -0.511 119.926 120.400 0.060 0.000 2.113 354 K HA -0.276 4.044 4.320 0.000 0.000 0.208 354 K C 2.313 178.992 176.600 0.132 0.000 1.047 354 K CA 1.987 58.344 56.287 0.117 0.000 0.928 354 K CB -0.313 32.262 32.500 0.125 0.000 0.716 354 K HN 0.444 nan 8.250 nan 0.000 0.446 355 c N 1.145 119.816 118.600 0.118 0.000 2.466 355 c HA -0.070 4.500 4.570 0.000 0.000 0.278 355 c C 2.042 176.158 174.090 0.042 0.000 1.288 355 c CA 1.003 57.423 56.329 0.152 0.000 1.722 355 c CB -0.832 41.772 42.510 0.157 0.000 2.017 355 c HN 0.539 nan 8.230 nan 0.000 0.488 356 D N 0.412 120.809 120.400 -0.006 0.000 2.097 356 D HA -0.156 4.484 4.640 0.000 0.000 0.195 356 D C 2.148 178.373 176.300 -0.126 0.000 0.989 356 D CA 1.499 55.462 54.000 -0.062 0.000 0.827 356 D CB -0.617 40.152 40.800 -0.052 0.000 0.966 356 D HN 0.697 nan 8.370 nan 0.000 0.456 357 E N -0.626 119.498 120.200 -0.128 0.000 2.085 357 E HA -0.201 4.149 4.350 0.000 0.000 0.194 357 E C 1.906 178.150 176.600 -0.594 0.000 0.994 357 E CA 0.842 57.092 56.400 -0.250 0.000 0.801 357 E CB -0.109 29.525 29.700 -0.111 0.000 0.743 357 E HN 0.289 nan 8.360 nan 0.000 0.453 358 W N 1.137 121.899 121.300 -0.897 0.000 2.363 358 W HA -0.127 4.533 4.660 0.000 0.000 0.296 358 W C 2.489 178.612 176.519 -0.659 0.000 1.212 358 W CA 1.480 58.126 57.345 -1.165 0.000 1.260 358 W CB -0.918 28.177 29.460 -0.608 0.000 1.131 358 W HN 0.009 nan 8.180 nan 0.000 0.530 359 S N -0.148 115.351 115.700 -0.335 0.000 2.354 359 S HA -0.213 4.258 4.470 0.000 0.000 0.219 359 S C 2.004 176.451 174.600 -0.256 0.000 1.035 359 S CA 2.545 60.549 58.200 -0.326 0.000 1.037 359 S CB -0.880 62.194 63.200 -0.211 0.000 0.956 359 S HN 0.013 nan 8.310 nan 0.000 0.428 360 V N 2.144 121.930 119.914 -0.212 0.000 2.324 360 V HA -0.202 3.918 4.120 0.000 0.000 0.250 360 V C 1.725 177.734 176.094 -0.141 0.000 1.060 360 V CA 2.270 64.479 62.300 -0.152 0.000 1.042 360 V CB -1.194 30.551 31.823 -0.130 0.000 0.650 360 V HN 0.491 nan 8.190 nan 0.000 0.450 361 N N 0.237 118.792 118.700 -0.242 0.000 2.501 361 N HA -0.044 4.696 4.740 0.000 0.000 0.195 361 N C 1.466 176.994 175.510 0.030 0.000 1.213 361 N CA 0.774 53.716 53.050 -0.181 0.000 0.864 361 N CB 0.025 38.146 38.487 -0.611 0.000 0.999 361 N HN 0.653 nan 8.380 nan 0.000 0.454 362 S N -1.609 114.061 115.700 -0.049 0.000 2.540 362 S HA 0.094 4.564 4.470 0.000 0.000 0.222 362 S C 0.641 175.245 174.600 0.007 0.000 1.008 362 S CA -0.269 57.943 58.200 0.020 0.000 0.939 362 S CB 0.256 63.323 63.200 -0.222 0.000 0.865 362 S HN -0.060 nan 8.310 nan 0.000 0.499 363 V N 1.074 120.982 119.914 -0.011 0.000 4.868 363 V HA -0.153 3.967 4.120 0.000 0.000 0.274 363 V C 1.531 177.603 176.094 -0.036 0.000 0.450 363 V CA 0.725 63.020 62.300 -0.009 0.000 0.773 363 V CB -2.722 29.113 31.823 0.020 0.000 0.704 363 V HN 1.334 nan 8.190 nan 0.000 1.326 364 G N -1.091 107.666 108.800 -0.072 0.000 2.199 364 G HA2 -0.331 3.629 3.960 0.000 0.000 0.254 364 G HA3 -0.331 3.629 3.960 0.000 0.000 0.254 364 G C 0.736 175.579 174.900 -0.095 0.000 0.982 364 G CA 0.630 45.682 45.100 -0.080 0.000 0.632 364 G HN 0.587 nan 8.290 nan 0.000 0.529 365 K N -0.604 119.736 120.400 -0.100 0.000 2.097 365 K HA 0.075 4.395 4.320 0.000 0.000 0.206 365 K C 0.970 177.461 176.600 -0.182 0.000 1.049 365 K CA 0.954 57.178 56.287 -0.106 0.000 0.933 365 K CB 0.097 32.553 32.500 -0.074 0.000 0.717 365 K HN 0.374 nan 8.250 nan 0.000 0.442 366 I N 1.520 121.903 120.570 -0.311 0.000 2.441 366 I HA 0.215 4.385 4.170 0.000 0.000 0.295 366 I C -0.134 175.788 176.117 -0.324 0.000 0.994 366 I CA -0.342 60.684 61.300 -0.456 0.000 1.144 366 I CB 1.747 39.115 38.000 -1.053 0.000 1.314 366 I HN 0.068 nan 8.210 nan 0.000 0.445 367 E N 3.641 123.712 120.200 -0.216 0.000 2.359 367 E HA 0.563 4.913 4.350 0.000 0.000 0.266 367 E C -1.439 175.126 176.600 -0.059 0.000 0.920 367 E CA -0.568 55.757 56.400 -0.124 0.000 0.788 367 E CB 2.610 32.264 29.700 -0.076 0.000 1.279 367 E HN 0.500 nan 8.360 nan 0.000 0.438 368 c N 1.109 119.693 118.600 -0.027 0.000 2.493 368 c HA 0.747 5.317 4.570 0.000 0.000 0.326 368 c C -0.444 173.662 174.090 0.026 0.000 1.200 368 c CA -0.639 55.710 56.329 0.032 0.000 1.739 368 c CB 0.951 43.479 42.510 0.029 0.000 2.300 368 c HN 0.390 nan 8.230 nan 0.000 0.500 369 V N 2.003 121.942 119.914 0.041 0.000 2.760 369 V HA 0.538 4.658 4.120 0.000 0.000 0.309 369 V C -0.444 175.660 176.094 0.017 0.000 1.077 369 V CA -0.223 62.086 62.300 0.014 0.000 0.910 369 V CB 2.370 34.189 31.823 -0.007 0.000 1.008 369 V HN 0.957 nan 8.190 nan 0.000 0.424 370 S N 3.108 118.814 115.700 0.010 0.000 2.456 370 S HA 0.846 5.316 4.470 0.000 0.000 0.316 370 S C -0.055 174.542 174.600 -0.006 0.000 1.089 370 S CA -0.351 57.855 58.200 0.011 0.000 1.101 370 S CB 1.525 64.739 63.200 0.023 0.000 0.995 370 S HN 1.080 nan 8.310 nan 0.000 0.468 371 A N 2.027 124.837 122.820 -0.018 0.000 2.384 371 A HA 0.641 4.961 4.320 0.000 0.000 0.312 371 A C 0.796 178.363 177.584 -0.027 0.000 1.113 371 A CA -0.689 51.330 52.037 -0.030 0.000 0.779 371 A CB 0.961 19.929 19.000 -0.054 0.000 1.307 371 A HN 0.798 nan 8.150 nan 0.000 0.436 372 E N -0.040 120.144 120.200 -0.026 0.000 2.028 372 E HA -0.062 4.288 4.350 0.000 0.000 0.191 372 E C 0.791 177.374 176.600 -0.029 0.000 0.988 372 E CA 1.770 58.157 56.400 -0.021 0.000 0.799 372 E CB 0.075 29.766 29.700 -0.016 0.000 0.755 372 E HN 0.832 nan 8.360 nan 0.000 0.447 373 T N -4.110 110.416 114.554 -0.045 0.000 2.916 373 T HA 0.250 4.600 4.350 0.000 0.000 0.292 373 T C 0.851 175.469 174.700 -0.137 0.000 1.064 373 T CA -0.365 61.697 62.100 -0.063 0.000 1.011 373 T CB 1.470 70.322 68.868 -0.028 0.000 1.152 373 T HN -0.176 nan 8.240 nan 0.000 0.510 374 T N 0.764 115.183 114.554 -0.226 0.000 2.778 374 T HA -0.108 4.242 4.350 0.000 0.000 0.269 374 T C 1.650 176.104 174.700 -0.411 0.000 1.050 374 T CA 1.810 63.631 62.100 -0.465 0.000 1.137 374 T CB -0.327 67.906 68.868 -1.059 0.000 0.860 374 T HN 0.698 nan 8.240 nan 0.000 0.468 375 E N 0.505 120.574 120.200 -0.219 0.000 2.107 375 E HA -0.108 4.242 4.350 0.000 0.000 0.191 375 E C 1.984 178.534 176.600 -0.082 0.000 0.982 375 E CA 0.838 57.187 56.400 -0.085 0.000 0.809 375 E CB -0.084 29.643 29.700 0.045 0.000 0.756 375 E HN 0.427 nan 8.360 nan 0.000 0.459 376 D N 0.663 121.016 120.400 -0.078 0.000 2.097 376 D HA -0.139 4.501 4.640 0.000 0.000 0.195 376 D C 2.065 178.311 176.300 -0.090 0.000 0.989 376 D CA 0.756 54.717 54.000 -0.065 0.000 0.827 376 D CB -0.524 40.246 40.800 -0.049 0.000 0.966 376 D HN 0.150 nan 8.370 nan 0.000 0.456 377 c N 0.701 119.225 118.600 -0.127 0.000 2.376 377 c HA -0.173 4.397 4.570 0.000 0.000 0.275 377 c C 2.875 176.873 174.090 -0.154 0.000 1.200 377 c CA 0.302 56.541 56.329 -0.150 0.000 1.756 377 c CB -1.090 41.300 42.510 -0.200 0.000 2.050 377 c HN 0.364 nan 8.230 nan 0.000 0.460 378 I N 1.247 121.716 120.570 -0.169 0.000 2.145 378 I HA -0.315 3.855 4.170 0.000 0.000 0.244 378 I C 2.735 178.793 176.117 -0.099 0.000 1.075 378 I CA 1.899 63.115 61.300 -0.140 0.000 1.332 378 I CB -0.692 37.237 38.000 -0.118 0.000 1.033 378 I HN 0.359 nan 8.210 nan 0.000 0.410 379 A N 0.527 123.302 122.820 -0.075 0.000 1.908 379 A HA -0.260 4.061 4.320 0.000 0.000 0.218 379 A C 2.343 179.896 177.584 -0.053 0.000 1.181 379 A CA 1.840 53.847 52.037 -0.050 0.000 0.627 379 A CB -0.533 18.448 19.000 -0.033 0.000 0.818 379 A HN 0.337 nan 8.150 nan 0.000 0.445 380 K N -0.712 119.650 120.400 -0.065 0.000 2.147 380 K HA -0.020 4.300 4.320 0.000 0.000 0.205 380 K C 0.607 177.159 176.600 -0.081 0.000 1.049 380 K CA 0.639 56.889 56.287 -0.062 0.000 0.936 380 K CB -0.298 32.161 32.500 -0.068 0.000 0.722 380 K HN 0.541 nan 8.250 nan 0.000 0.446 384 G N 0.446 109.232 108.800 -0.024 0.000 2.296 384 G HA2 -0.183 3.777 3.960 0.000 0.000 0.188 384 G HA3 -0.183 3.777 3.960 0.000 0.000 0.188 384 G C 0.547 175.433 174.900 -0.024 0.000 1.000 384 G CA 0.372 45.455 45.100 -0.029 0.000 0.672 384 G HN 0.268 nan 8.290 nan 0.000 0.483 385 E N 0.370 120.559 120.200 -0.017 0.000 2.268 385 E HA 0.347 4.697 4.350 0.000 0.000 0.195 385 E C 1.194 177.774 176.600 -0.034 0.000 0.995 385 E CA 0.945 57.336 56.400 -0.015 0.000 0.836 385 E CB 0.170 29.867 29.700 -0.006 0.000 0.763 385 E HN 0.816 nan 8.360 nan 0.000 0.491 386 A N 0.237 123.022 122.820 -0.059 0.000 2.556 386 A HA 0.344 4.664 4.320 0.000 0.000 0.294 386 A C -0.627 176.897 177.584 -0.100 0.000 1.091 386 A CA -0.799 51.190 52.037 -0.081 0.000 0.704 386 A CB 1.546 20.479 19.000 -0.112 0.000 1.300 386 A HN -0.137 nan 8.150 nan 0.000 0.406 387 D N -0.079 120.259 120.400 -0.103 0.000 2.615 387 D HA 0.424 5.064 4.640 0.000 0.000 0.259 387 D C 0.824 177.029 176.300 -0.157 0.000 0.999 387 D CA 1.562 55.501 54.000 -0.102 0.000 0.938 387 D CB 0.634 41.408 40.800 -0.043 0.000 1.121 387 D HN 0.786 nan 8.370 nan 0.000 0.487 391 L N 3.095 124.334 121.223 0.026 0.000 2.415 391 L HA 0.572 4.912 4.340 0.000 0.000 0.256 391 L C -0.863 175.941 176.870 -0.109 0.000 1.010 391 L CA -1.115 53.713 54.840 -0.020 0.000 0.826 391 L CB 2.084 44.162 42.059 0.032 0.000 1.405 391 L HN 0.782 nan 8.230 nan 0.000 0.410 392 D N 0.345 120.583 120.400 -0.271 0.000 2.383 392 D HA 0.165 4.805 4.640 0.000 0.000 0.248 392 D C 1.214 177.516 176.300 0.003 0.000 1.170 392 D CA -0.091 53.644 54.000 -0.442 0.000 0.977 392 D CB 0.880 41.401 40.800 -0.465 0.000 1.120 392 D HN 0.579 nan 8.370 nan 0.000 0.481 393 G N -0.291 108.543 108.800 0.056 0.000 2.547 393 G HA2 -0.275 3.685 3.960 0.000 0.000 0.221 393 G HA3 -0.275 3.685 3.960 0.000 0.000 0.221 393 G C 1.424 176.493 174.900 0.281 0.000 1.140 393 G CA 1.212 46.367 45.100 0.093 0.000 0.760 393 G HN 0.658 nan 8.290 nan 0.000 0.583 394 G N 0.099 109.023 108.800 0.206 0.000 2.446 394 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 394 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 394 G C 1.541 176.452 174.900 0.018 0.000 1.168 394 G CA 0.817 45.957 45.100 0.067 0.000 0.771 394 G HN 0.364 nan 8.290 nan 0.000 0.551 395 F N 0.106 120.121 119.950 0.108 0.000 2.615 395 F HA 0.161 4.688 4.527 0.000 0.000 0.297 395 F C 2.586 178.415 175.800 0.048 0.000 1.124 395 F CA -0.140 57.895 58.000 0.058 0.000 1.451 395 F CB 0.022 39.017 39.000 -0.008 0.000 1.103 395 F HN -0.038 nan 8.300 nan 0.000 0.569 396 V N -0.743 119.321 119.914 0.250 0.000 2.427 396 V HA -0.316 3.804 4.120 0.000 0.000 0.248 396 V C 2.150 178.351 176.094 0.179 0.000 1.051 396 V CA 1.794 64.203 62.300 0.181 0.000 1.048 396 V CB -0.789 31.160 31.823 0.211 0.000 0.666 396 V HN 0.402 nan 8.190 nan 0.000 0.456 397 Y N 0.880 121.274 120.300 0.157 0.000 2.070 397 Y HA -0.251 4.299 4.550 0.000 0.000 0.280 397 Y C 2.268 178.105 175.900 -0.106 0.000 1.148 397 Y CA 1.944 60.108 58.100 0.107 0.000 1.125 397 Y CB -0.350 38.205 38.460 0.158 0.000 0.975 397 Y HN 0.187 nan 8.280 nan 0.000 0.492 398 I N 0.413 120.924 120.570 -0.098 0.000 2.264 398 I HA -0.338 3.832 4.170 0.000 0.000 0.248 398 I C 2.618 178.603 176.117 -0.220 0.000 1.111 398 I CA 1.269 62.453 61.300 -0.194 0.000 1.382 398 I CB -0.819 37.230 38.000 0.080 0.000 1.060 398 I HN 0.398 nan 8.210 nan 0.000 0.418 399 A N 0.935 123.683 122.820 -0.120 0.000 1.969 399 A HA -0.051 4.269 4.320 0.000 0.000 0.218 399 A C 2.425 179.872 177.584 -0.228 0.000 1.169 399 A CA 1.620 53.579 52.037 -0.130 0.000 0.635 399 A CB -1.176 17.779 19.000 -0.074 0.000 0.810 399 A HN 0.451 nan 8.150 nan 0.000 0.445 400 G N 0.119 108.693 108.800 -0.376 0.000 2.433 400 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 400 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 400 G C 1.526 176.011 174.900 -0.692 0.000 1.186 400 G CA 0.908 45.669 45.100 -0.565 0.000 0.779 400 G HN 0.423 nan 8.290 nan 0.000 0.543 401 K N 0.044 119.901 120.400 -0.905 0.000 2.281 401 K HA -0.052 4.268 4.320 0.000 0.000 0.203 401 K C 2.167 178.597 176.600 -0.284 0.000 1.046 401 K CA 0.670 56.614 56.287 -0.572 0.000 0.938 401 K CB -0.593 31.565 32.500 -0.571 0.000 0.737 401 K HN 0.356 nan 8.250 nan 0.000 0.458 402 c N -0.070 118.383 118.600 -0.246 0.000 2.626 402 c HA 0.193 4.763 4.570 0.000 0.000 0.266 402 c C 1.599 175.637 174.090 -0.086 0.000 1.317 402 c CA 0.400 56.651 56.329 -0.129 0.000 1.716 402 c CB -0.832 41.614 42.510 -0.106 0.000 1.819 402 c HN 0.728 nan 8.230 nan 0.000 0.578 403 G N 0.343 109.082 108.800 -0.102 0.000 2.179 403 G HA2 -0.181 3.779 3.960 0.000 0.000 0.220 403 G HA3 -0.181 3.779 3.960 0.000 0.000 0.220 403 G C 0.075 174.946 174.900 -0.048 0.000 0.990 403 G CA -0.099 44.977 45.100 -0.040 0.000 0.646 403 G HN 0.467 nan 8.290 nan 0.000 0.517 404 L N 0.308 121.482 121.223 -0.082 0.000 2.479 404 L HA 0.790 5.130 4.340 0.000 0.000 0.249 404 L C 1.059 177.903 176.870 -0.044 0.000 1.178 404 L CA -0.781 54.011 54.840 -0.081 0.000 0.811 404 L CB 1.121 43.118 42.059 -0.103 0.000 1.187 404 L HN 0.368 nan 8.230 nan 0.000 0.480 405 V N -2.517 117.372 119.914 -0.042 0.000 3.078 405 V HA 0.642 4.762 4.120 0.000 0.000 0.311 405 V C -2.792 173.273 176.094 -0.049 0.000 1.138 405 V CA -2.065 60.228 62.300 -0.011 0.000 1.007 405 V CB 1.864 33.690 31.823 0.006 0.000 1.045 405 V HN 0.542 nan 8.190 nan 0.000 0.432 406 P HA 0.391 nan 4.420 nan 0.000 0.292 406 P C 0.315 177.543 177.300 -0.120 0.000 1.287 406 P CA -0.170 62.819 63.100 -0.185 0.000 0.800 406 P CB 2.010 33.447 31.700 -0.438 0.000 0.945 407 V N 1.708 121.568 119.914 -0.089 0.000 3.013 407 V HA 0.348 4.468 4.120 0.000 0.000 0.238 407 V C 0.385 176.442 176.094 -0.062 0.000 1.161 407 V CA 0.487 62.776 62.300 -0.018 0.000 1.170 407 V CB -0.398 31.446 31.823 0.036 0.000 0.917 407 V HN 0.186 nan 8.190 nan 0.000 0.478 408 L N 1.587 122.769 121.223 -0.069 0.000 2.410 408 L HA 0.898 5.238 4.340 0.000 0.000 0.270 408 L C -0.268 176.583 176.870 -0.032 0.000 0.983 408 L CA -0.398 54.406 54.840 -0.061 0.000 0.822 408 L CB 1.850 43.899 42.059 -0.017 0.000 1.285 408 L HN 0.247 nan 8.230 nan 0.000 0.409 409 A N 2.246 125.046 122.820 -0.033 0.000 2.305 409 A HA 0.553 4.873 4.320 0.000 0.000 0.322 409 A C -0.297 177.277 177.584 -0.016 0.000 1.187 409 A CA -0.513 51.531 52.037 0.012 0.000 0.825 409 A CB 0.464 19.537 19.000 0.120 0.000 1.164 409 A HN 0.730 nan 8.150 nan 0.000 0.498 410 E N 1.878 122.082 120.200 0.008 0.000 2.265 410 E HA 0.041 4.391 4.350 0.000 0.000 0.272 410 E C -0.469 175.859 176.600 -0.452 0.000 1.067 410 E CA 0.167 56.520 56.400 -0.079 0.000 0.900 410 E CB 0.391 30.186 29.700 0.158 0.000 1.017 410 E HN 0.659 nan 8.360 nan 0.000 0.431 411 N N 2.014 120.492 118.700 -0.371 0.000 2.498 411 N HA 0.162 4.902 4.740 0.000 0.000 0.287 411 N C -0.046 175.275 175.510 -0.315 0.000 1.097 411 N CA -0.267 52.527 53.050 -0.425 0.000 0.973 411 N CB 0.814 39.162 38.487 -0.232 0.000 1.153 411 N HN 0.509 nan 8.380 nan 0.000 0.472 412 Y N -0.672 119.562 120.300 -0.110 0.000 2.483 412 Y HA 0.151 4.701 4.550 0.000 0.000 0.258 412 Y C 0.135 175.977 175.900 -0.097 0.000 1.083 412 Y CA -0.685 57.345 58.100 -0.117 0.000 1.283 412 Y CB 0.678 39.087 38.460 -0.085 0.000 1.178 412 Y HN 0.398 nan 8.280 nan 0.000 0.515 413 D N 1.933 122.355 120.400 0.036 0.000 2.348 413 D HA 0.206 4.846 4.640 0.000 0.000 0.249 413 D C -0.380 175.907 176.300 -0.022 0.000 1.110 413 D CA -0.212 53.794 54.000 0.010 0.000 0.967 413 D CB 1.454 42.256 40.800 0.004 0.000 1.139 413 D HN 0.077 nan 8.370 nan 0.000 0.466 414 K N -1.173 119.216 120.400 -0.019 0.000 2.208 414 K HA 0.717 5.037 4.320 0.000 0.000 0.247 414 K C -0.559 176.029 176.600 -0.019 0.000 0.953 414 K CA -0.710 55.561 56.287 -0.027 0.000 0.837 414 K CB 1.756 34.240 32.500 -0.025 0.000 1.131 414 K HN 0.421 nan 8.250 nan 0.000 0.431 415 S N -0.596 115.092 115.700 -0.020 0.000 2.656 415 S HA 0.267 4.737 4.470 0.000 0.000 0.265 415 S C -0.949 173.644 174.600 -0.012 0.000 1.132 415 S CA -0.909 57.283 58.200 -0.013 0.000 0.819 415 S CB 0.533 63.726 63.200 -0.011 0.000 1.119 415 S HN 0.607 nan 8.310 nan 0.000 0.476 416 D N 1.899 122.294 120.400 -0.007 0.000 2.325 416 D HA 0.156 4.796 4.640 0.000 0.000 0.234 416 D C -0.169 176.130 176.300 -0.001 0.000 1.122 416 D CA 0.322 54.319 54.000 -0.006 0.000 0.850 416 D CB -0.563 40.234 40.800 -0.004 0.000 0.921 416 D HN 0.609 nan 8.370 nan 0.000 0.513 417 N N 0.143 118.842 118.700 -0.001 0.000 3.286 417 N HA -0.076 4.664 4.740 0.000 0.000 0.169 417 N C 0.333 175.841 175.510 -0.003 0.000 1.375 417 N CA -0.441 52.614 53.050 0.007 0.000 1.093 417 N CB -0.919 37.578 38.487 0.016 0.000 1.659 417 N HN -0.063 nan 8.380 nan 0.000 0.629 418 c N 0.979 119.572 118.600 -0.012 0.000 2.457 418 c HA 0.076 4.646 4.570 0.000 0.000 0.278 418 c C 1.999 176.065 174.090 -0.040 0.000 1.309 418 c CA 1.212 57.519 56.329 -0.036 0.000 1.735 418 c CB -0.512 41.968 42.510 -0.051 0.000 1.992 418 c HN 0.647 nan 8.230 nan 0.000 0.493 419 E N 0.749 120.944 120.200 -0.007 0.000 2.153 419 E HA -0.157 4.193 4.350 0.000 0.000 0.194 419 E C 1.413 178.004 176.600 -0.015 0.000 0.988 419 E CA 1.412 57.812 56.400 0.001 0.000 0.811 419 E CB -0.139 29.600 29.700 0.066 0.000 0.746 419 E HN 0.720 nan 8.360 nan 0.000 0.466 420 D N 0.720 121.125 120.400 0.008 0.000 2.096 420 D HA -0.089 4.551 4.640 0.000 0.000 0.214 420 D C 1.038 177.272 176.300 -0.109 0.000 0.974 420 D CA 0.874 54.889 54.000 0.025 0.000 0.890 420 D CB -0.988 39.866 40.800 0.089 0.000 1.016 420 D HN -0.017 nan 8.370 nan 0.000 0.447 421 T N 3.990 118.517 114.554 -0.045 0.000 2.738 421 T HA 0.077 4.427 4.350 0.000 0.000 0.277 421 T C -2.397 172.233 174.700 -0.116 0.000 0.981 421 T CA -1.266 60.795 62.100 -0.065 0.000 1.211 421 T CB 0.286 69.141 68.868 -0.022 0.000 0.932 421 T HN -0.068 nan 8.240 nan 0.000 0.522 422 P HA 0.299 nan 4.420 nan 0.000 0.276 422 P C -0.805 176.426 177.300 -0.115 0.000 1.244 422 P CA -0.439 62.575 63.100 -0.143 0.000 0.801 422 P CB 0.842 32.453 31.700 -0.149 0.000 1.006 423 E N 0.437 120.557 120.200 -0.134 0.000 2.145 423 E HA 0.429 4.779 4.350 0.000 0.000 0.270 423 E C 0.188 176.668 176.600 -0.200 0.000 0.906 423 E CA -0.811 55.496 56.400 -0.154 0.000 0.761 423 E CB 1.556 31.147 29.700 -0.180 0.000 1.116 423 E HN 0.405 nan 8.360 nan 0.000 0.408 424 A N 3.408 126.089 122.820 -0.231 0.000 2.278 424 A HA 0.427 4.747 4.320 0.000 0.000 0.212 424 A C 0.978 178.304 177.584 -0.430 0.000 1.213 424 A CA 0.599 52.433 52.037 -0.337 0.000 0.840 424 A CB -0.409 18.397 19.000 -0.323 0.000 0.866 424 A HN 0.844 nan 8.150 nan 0.000 0.489 425 G N -1.094 107.500 108.800 -0.343 0.000 2.796 425 G HA2 -0.101 3.859 3.960 0.000 0.000 0.571 425 G HA3 -0.101 3.859 3.960 0.000 0.000 0.571 425 G C -0.092 174.549 174.900 -0.432 0.000 1.370 425 G CA -0.283 44.614 45.100 -0.338 0.000 0.856 425 G HN 1.462 nan 8.290 nan 0.000 0.538 426 Y N -1.375 118.782 120.300 -0.239 0.000 2.286 426 Y HA 0.795 5.345 4.550 0.000 0.000 0.347 426 Y C 0.301 175.974 175.900 -0.378 0.000 1.351 426 Y CA -1.421 56.607 58.100 -0.120 0.000 1.640 426 Y CB 0.431 38.971 38.460 0.133 0.000 1.560 426 Y HN 0.529 nan 8.280 nan 0.000 0.574 427 F N -0.097 120.043 119.950 0.317 0.000 2.495 427 F HA 0.665 5.192 4.527 0.000 0.000 0.327 427 F C -0.103 175.858 175.800 0.269 0.000 1.103 427 F CA -1.625 56.389 58.000 0.024 0.000 0.949 427 F CB 1.788 40.672 39.000 -0.193 0.000 1.142 427 F HN 0.703 nan 8.300 nan 0.000 0.457 428 A N 3.357 126.380 122.820 0.339 0.000 2.650 428 A HA 0.557 4.877 4.320 0.000 0.000 0.320 428 A C -0.411 177.370 177.584 0.328 0.000 1.466 428 A CA -0.457 51.802 52.037 0.369 0.000 1.099 428 A CB -0.155 19.015 19.000 0.283 0.000 1.136 428 A HN 0.661 nan 8.150 nan 0.000 0.532 429 V N 2.125 122.230 119.914 0.318 0.000 2.973 429 V HA 0.750 4.870 4.120 0.000 0.000 0.314 429 V C 0.479 176.741 176.094 0.280 0.000 1.066 429 V CA -0.061 62.397 62.300 0.263 0.000 1.021 429 V CB 1.812 33.763 31.823 0.214 0.000 1.076 429 V HN 1.040 nan 8.190 nan 0.000 0.462 430 A N 4.967 127.923 122.820 0.226 0.000 2.277 430 A HA 0.698 5.018 4.320 0.000 0.000 0.318 430 A C -0.805 176.819 177.584 0.067 0.000 1.339 430 A CA -0.437 51.720 52.037 0.199 0.000 0.875 430 A CB 0.615 19.827 19.000 0.353 0.000 1.158 430 A HN 0.785 nan 8.150 nan 0.000 0.514 431 V N 3.115 123.035 119.914 0.010 0.000 2.481 431 V HA 0.658 4.779 4.120 0.000 0.000 0.286 431 V C 0.195 176.314 176.094 0.042 0.000 1.042 431 V CA -0.433 61.901 62.300 0.057 0.000 0.928 431 V CB 1.116 32.985 31.823 0.076 0.000 0.986 431 V HN 0.996 nan 8.190 nan 0.000 0.462 432 V N 1.438 121.422 119.914 0.118 0.000 2.971 432 V HA 0.602 4.722 4.120 0.000 0.000 0.309 432 V C -0.452 175.738 176.094 0.161 0.000 1.130 432 V CA -1.471 60.893 62.300 0.107 0.000 0.964 432 V CB 1.908 33.772 31.823 0.068 0.000 1.029 432 V HN 0.914 nan 8.190 nan 0.000 0.427 433 K N 1.666 122.137 120.400 0.118 0.000 2.436 433 K HA 0.163 4.483 4.320 0.000 0.000 0.282 433 K C 0.376 176.965 176.600 -0.018 0.000 1.044 433 K CA -0.040 56.249 56.287 0.003 0.000 1.028 433 K CB 0.702 33.172 32.500 -0.050 0.000 0.919 433 K HN 0.811 nan 8.250 nan 0.000 0.474 434 K N 2.544 122.915 120.400 -0.047 0.000 2.611 434 K HA -0.043 4.277 4.320 0.000 0.000 0.193 434 K C 0.334 176.911 176.600 -0.039 0.000 1.026 434 K CA 0.196 56.471 56.287 -0.021 0.000 1.063 434 K CB 0.086 32.578 32.500 -0.014 0.000 0.839 434 K HN 0.668 nan 8.250 nan 0.000 0.505 435 S N 0.260 115.924 115.700 -0.060 0.000 2.428 435 S HA -0.026 4.444 4.470 0.000 0.000 0.230 435 S C 0.702 175.287 174.600 -0.025 0.000 1.014 435 S CA 0.761 58.929 58.200 -0.052 0.000 0.957 435 S CB 0.297 63.457 63.200 -0.067 0.000 0.784 435 S HN 0.402 nan 8.310 nan 0.000 0.499 436 A N 2.216 125.029 122.820 -0.012 0.000 2.664 436 A HA 0.513 4.833 4.320 0.000 0.000 0.338 436 A C 0.306 177.898 177.584 0.013 0.000 1.280 436 A CA -0.718 51.320 52.037 0.002 0.000 0.809 436 A CB 0.277 19.280 19.000 0.007 0.000 1.114 436 A HN 0.221 nan 8.150 nan 0.000 0.479 437 S N 1.760 117.467 115.700 0.012 0.000 3.919 437 S HA 0.370 4.840 4.470 0.000 0.000 0.245 437 S C 0.032 174.647 174.600 0.024 0.000 1.344 437 S CA 0.234 58.446 58.200 0.020 0.000 0.896 437 S CB -0.192 63.017 63.200 0.014 0.000 1.557 437 S HN 0.714 nan 8.310 nan 0.000 0.468 438 D N 0.946 121.366 120.400 0.032 0.000 2.424 438 D HA 0.012 4.652 4.640 0.000 0.000 0.428 438 D C -0.091 176.238 176.300 0.048 0.000 1.148 438 D CA -0.320 53.700 54.000 0.034 0.000 0.986 438 D CB -0.817 39.997 40.800 0.023 0.000 1.461 438 D HN 0.515 nan 8.370 nan 0.000 0.447 439 L N 1.406 122.665 121.223 0.060 0.000 2.349 439 L HA 0.590 4.930 4.340 0.000 0.000 0.275 439 L C 0.138 177.080 176.870 0.119 0.000 1.115 439 L CA 0.376 55.268 54.840 0.087 0.000 0.820 439 L CB 1.341 43.454 42.059 0.091 0.000 1.135 439 L HN -0.115 nan 8.230 nan 0.000 0.445 440 T N -0.802 113.843 114.554 0.151 0.000 2.812 440 T HA 0.089 4.439 4.350 0.000 0.000 0.294 440 T C 0.328 175.221 174.700 0.321 0.000 1.159 440 T CA -0.583 61.641 62.100 0.207 0.000 1.008 440 T CB 1.614 70.578 68.868 0.160 0.000 1.289 440 T HN 0.722 nan 8.240 nan 0.000 0.514 441 W N 0.997 122.363 121.300 0.110 0.000 2.387 441 W HA -0.162 4.498 4.660 0.000 0.000 0.272 441 W C 0.562 177.166 176.519 0.142 0.000 1.224 441 W CA 1.125 58.555 57.345 0.142 0.000 1.210 441 W CB 0.211 29.739 29.460 0.113 0.000 1.125 441 W HN 0.703 nan 8.180 nan 0.000 0.572 442 D N -0.151 120.346 120.400 0.161 0.000 2.197 442 D HA -0.143 4.497 4.640 0.000 0.000 0.212 442 D C 1.210 177.513 176.300 0.006 0.000 0.963 442 D CA 1.259 55.277 54.000 0.031 0.000 0.864 442 D CB -0.877 39.956 40.800 0.054 0.000 1.009 442 D HN 0.352 nan 8.370 nan 0.000 0.479 443 N N 0.563 119.286 118.700 0.038 0.000 2.375 443 N HA 0.014 4.754 4.740 0.000 0.000 0.220 443 N C 0.960 176.480 175.510 0.016 0.000 1.170 443 N CA 0.062 53.114 53.050 0.003 0.000 0.833 443 N CB -0.023 38.475 38.487 0.019 0.000 1.069 443 N HN -0.037 nan 8.380 nan 0.000 0.479 444 L N -0.492 120.763 121.223 0.054 0.000 2.599 444 L HA 0.175 4.515 4.340 0.000 0.000 0.230 444 L C 0.811 177.691 176.870 0.016 0.000 1.141 444 L CA 0.461 55.392 54.840 0.152 0.000 0.877 444 L CB -0.237 41.988 42.059 0.277 0.000 1.009 444 L HN 0.174 nan 8.230 nan 0.000 0.447 445 K N 0.046 120.249 120.400 -0.328 0.000 2.218 445 K HA 0.301 4.621 4.320 0.000 0.000 0.276 445 K C 0.958 177.245 176.600 -0.522 0.000 1.022 445 K CA 0.626 56.318 56.287 -0.993 0.000 0.946 445 K CB 0.722 32.571 32.500 -1.085 0.000 1.000 445 K HN 0.202 nan 8.250 nan 0.000 0.468 446 G N 2.989 111.476 108.800 -0.521 0.000 2.162 446 G HA2 -0.218 3.742 3.960 0.000 0.000 0.260 446 G HA3 -0.218 3.742 3.960 0.000 0.000 0.260 446 G C 0.131 175.014 174.900 -0.029 0.000 0.976 446 G CA 0.486 45.462 45.100 -0.206 0.000 0.655 446 G HN 0.559 nan 8.290 nan 0.000 0.533 447 K N -0.215 120.231 120.400 0.077 0.000 2.526 447 K HA 0.576 4.896 4.320 0.000 0.000 0.256 447 K C 0.443 177.195 176.600 0.254 0.000 1.035 447 K CA -0.618 55.764 56.287 0.159 0.000 1.011 447 K CB 0.612 33.217 32.500 0.174 0.000 1.343 447 K HN 0.193 nan 8.250 nan 0.000 0.510 448 K N 1.109 121.591 120.400 0.136 0.000 2.213 448 K HA 0.236 4.556 4.320 0.000 0.000 0.270 448 K C -0.077 176.466 176.600 -0.094 0.000 1.002 448 K CA -0.294 56.021 56.287 0.048 0.000 0.868 448 K CB 1.324 33.823 32.500 -0.003 0.000 1.093 448 K HN 0.669 nan 8.250 nan 0.000 0.454 449 S N 0.698 116.217 115.700 -0.301 0.000 2.766 449 S HA 0.643 5.113 4.470 0.000 0.000 0.307 449 S C -0.553 173.702 174.600 -0.576 0.000 1.121 449 S CA -0.801 57.016 58.200 -0.639 0.000 0.980 449 S CB 1.294 63.622 63.200 -1.454 0.000 1.159 449 S HN 0.605 nan 8.310 nan 0.000 0.546 450 c N 1.572 119.724 118.600 -0.747 0.000 2.607 450 c HA 0.646 5.216 4.570 0.000 0.000 0.350 450 c C -1.306 172.437 174.090 -0.579 0.000 1.101 450 c CA -0.575 55.416 56.329 -0.562 0.000 1.282 450 c CB 0.538 42.800 42.510 -0.413 0.000 1.825 450 c HN 0.907 nan 8.230 nan 0.000 0.460 451 H N 1.361 120.456 119.070 0.041 0.000 2.589 451 H HA 0.268 4.824 4.556 0.000 0.000 0.351 451 H C 1.069 176.406 175.328 0.015 0.000 1.074 451 H CA 0.050 56.177 56.048 0.132 0.000 1.203 451 H CB 1.943 31.896 29.762 0.319 0.000 1.558 451 H HN 0.756 nan 8.280 nan 0.000 0.522 452 T N 0.421 114.995 114.554 0.033 0.000 2.778 452 T HA 0.065 4.415 4.350 0.000 0.000 0.269 452 T C 0.752 175.369 174.700 -0.139 0.000 1.050 452 T CA 0.915 62.900 62.100 -0.191 0.000 1.137 452 T CB 0.091 68.670 68.868 -0.482 0.000 0.860 452 T HN 0.821 nan 8.240 nan 0.000 0.468 453 A N 0.047 122.857 122.820 -0.017 0.000 2.436 453 A HA 0.463 4.784 4.320 0.000 0.000 0.295 453 A C -0.330 177.155 177.584 -0.165 0.000 0.971 453 A CA -0.641 51.377 52.037 -0.033 0.000 0.803 453 A CB -0.049 18.956 19.000 0.008 0.000 1.045 453 A HN 1.372 nan 8.150 nan 0.000 0.363 454 V N 1.412 121.068 119.914 -0.430 0.000 2.644 454 V HA 0.513 4.633 4.120 0.000 0.000 0.305 454 V C 1.358 177.013 176.094 -0.732 0.000 1.053 454 V CA 1.315 62.937 62.300 -1.129 0.000 1.186 454 V CB 0.574 31.607 31.823 -1.316 0.000 0.895 454 V HN 2.917 nan 8.190 nan 0.000 0.490 455 G N 3.106 111.437 108.800 -0.782 0.000 2.176 455 G HA2 -0.171 3.789 3.960 0.000 0.000 0.232 455 G HA3 -0.171 3.789 3.960 0.000 0.000 0.232 455 G C 0.318 175.191 174.900 -0.045 0.000 0.986 455 G CA 0.091 45.031 45.100 -0.267 0.000 0.643 455 G HN 0.885 nan 8.290 nan 0.000 0.522 456 R N 0.192 120.699 120.500 0.012 0.000 2.543 456 R HA 0.630 4.970 4.340 0.000 0.000 0.268 456 R C 1.503 177.895 176.300 0.153 0.000 1.067 456 R CA 0.295 56.444 56.100 0.082 0.000 1.142 456 R CB 0.269 30.584 30.300 0.026 0.000 1.110 456 R HN 0.149 nan 8.270 nan 0.000 0.549 457 T N 1.000 115.666 114.554 0.187 0.000 2.706 457 T HA -0.079 4.271 4.350 0.000 0.000 0.255 457 T C 1.719 176.549 174.700 0.217 0.000 1.048 457 T CA 1.663 63.889 62.100 0.210 0.000 1.153 457 T CB -0.135 68.904 68.868 0.284 0.000 0.865 457 T HN 0.675 nan 8.240 nan 0.000 0.414 458 A N 1.029 124.044 122.820 0.324 0.000 1.929 458 A HA 0.247 4.567 4.320 0.000 0.000 0.216 458 A C 2.355 180.090 177.584 0.252 0.000 1.176 458 A CA 1.559 53.809 52.037 0.354 0.000 0.628 458 A CB -0.921 18.446 19.000 0.611 0.000 0.816 458 A HN 0.519 nan 8.150 nan 0.000 0.444 459 G N -3.482 105.423 108.800 0.174 0.000 3.042 459 G HA2 0.212 4.173 3.960 0.000 0.000 0.212 459 G HA3 0.212 4.173 3.960 0.000 0.000 0.212 459 G C 0.827 175.931 174.900 0.340 0.000 1.166 459 G CA 0.609 45.856 45.100 0.245 0.000 0.767 459 G HN 0.594 nan 8.290 nan 0.000 0.546 460 W N -0.342 120.918 121.300 -0.067 0.000 5.121 460 W HA 0.038 4.698 4.660 0.000 0.000 0.165 460 W C 1.332 177.688 176.519 -0.272 0.000 3.238 460 W CA 0.195 57.400 57.345 -0.234 0.000 1.826 460 W CB -0.693 28.624 29.460 -0.238 0.000 1.395 460 W HN 0.189 nan 8.180 nan 0.000 0.911 461 N N 1.516 120.242 118.700 0.044 0.000 2.023 461 N HA -0.270 4.470 4.740 0.000 0.000 0.200 461 N C 1.785 177.129 175.510 -0.278 0.000 1.048 461 N CA 2.794 55.763 53.050 -0.136 0.000 0.872 461 N CB -0.603 37.850 38.487 -0.056 0.000 1.070 461 N HN 0.031 nan 8.380 nan 0.000 0.441 462 I N 1.537 121.998 120.570 -0.181 0.000 2.091 462 I HA -0.159 4.011 4.170 0.000 0.000 0.239 462 I C -1.371 174.627 176.117 -0.199 0.000 1.061 462 I CA 0.711 61.910 61.300 -0.169 0.000 1.317 462 I CB -1.758 36.225 38.000 -0.029 0.000 1.031 462 I HN 0.209 nan 8.210 nan 0.000 0.401 466 L N 0.497 121.693 121.223 -0.046 0.000 2.478 466 L HA 0.308 4.648 4.340 0.000 0.000 0.223 466 L C 1.934 178.868 176.870 0.107 0.000 1.140 466 L CA 0.458 55.361 54.840 0.106 0.000 0.842 466 L CB 0.164 42.376 42.059 0.254 0.000 0.953 466 L HN 0.168 nan 8.230 nan 0.000 0.452 467 L N -2.112 119.059 121.223 -0.087 0.000 2.693 467 L HA 0.038 4.378 4.340 0.000 0.000 0.235 467 L C 1.645 178.335 176.870 -0.300 0.000 1.127 467 L CA 0.461 55.090 54.840 -0.352 0.000 0.914 467 L CB -0.403 41.250 42.059 -0.677 0.000 1.193 467 L HN 0.108 nan 8.230 nan 0.000 0.502 468 Y N 1.338 121.514 120.300 -0.207 0.000 2.193 468 Y HA -0.366 4.184 4.550 0.000 0.000 0.285 468 Y C 2.108 177.923 175.900 -0.142 0.000 1.166 468 Y CA 2.208 60.239 58.100 -0.116 0.000 1.181 468 Y CB -0.160 38.289 38.460 -0.017 0.000 0.976 468 Y HN 0.601 nan 8.280 nan 0.000 0.520 469 N N 0.019 118.653 118.700 -0.110 0.000 2.061 469 N HA -0.234 4.507 4.740 0.000 0.000 0.193 469 N C 1.448 176.808 175.510 -0.250 0.000 1.030 469 N CA 2.066 55.021 53.050 -0.158 0.000 0.856 469 N CB -0.587 37.871 38.487 -0.048 0.000 1.023 469 N HN 0.177 nan 8.380 nan 0.000 0.424 470 K N 0.597 120.864 120.400 -0.220 0.000 2.025 470 K HA 0.054 4.374 4.320 0.000 0.000 0.207 470 K C 2.205 178.690 176.600 -0.191 0.000 1.049 470 K CA 0.905 57.112 56.287 -0.134 0.000 0.933 470 K CB -0.550 31.983 32.500 0.056 0.000 0.714 470 K HN 0.390 nan 8.250 nan 0.000 0.438 471 I N 1.428 121.817 120.570 -0.302 0.000 2.286 471 I HA -0.317 3.853 4.170 0.000 0.000 0.248 471 I C 1.802 177.524 176.117 -0.658 0.000 1.115 471 I CA 0.872 61.969 61.300 -0.337 0.000 1.392 471 I CB -0.408 37.355 38.000 -0.395 0.000 1.065 471 I HN 0.338 nan 8.210 nan 0.000 0.418 472 N N 0.985 119.209 118.700 -0.793 0.000 3.662 472 N HA -0.310 4.430 4.740 0.000 0.000 0.214 472 N C 0.406 175.540 175.510 -0.626 0.000 0.173 472 N CA 2.569 55.164 53.050 -0.760 0.000 3.089 472 N CB -1.105 37.060 38.487 -0.536 0.000 1.212 472 N HN 0.610 nan 8.380 nan 0.000 0.333 473 H N 0.115 118.959 119.070 -0.376 0.000 2.660 473 H HA 0.389 4.945 4.556 0.000 0.000 0.374 473 H C 1.307 176.395 175.328 -0.400 0.000 1.291 473 H CA 0.185 56.072 56.048 -0.267 0.000 1.437 473 H CB -0.353 29.300 29.762 -0.181 0.000 1.509 473 H HN 0.352 nan 8.280 nan 0.000 0.614 474 c N 0.573 119.093 118.600 -0.134 0.000 2.509 474 c HA 0.154 4.724 4.570 0.000 0.000 0.301 474 c C 0.772 174.556 174.090 -0.510 0.000 1.317 474 c CA -0.148 55.944 56.329 -0.395 0.000 1.667 474 c CB -1.917 40.582 42.510 -0.017 0.000 1.717 474 c HN 0.547 nan 8.230 nan 0.000 0.595 475 R N 0.544 120.739 120.500 -0.509 0.000 3.657 475 R HA 0.174 4.514 4.340 0.000 0.000 0.220 475 R C 0.172 176.338 176.300 -0.224 0.000 1.548 475 R CA -0.265 55.614 56.100 -0.368 0.000 1.465 475 R CB -0.277 29.664 30.300 -0.598 0.000 1.330 475 R HN 0.391 nan 8.270 nan 0.000 0.707 476 F N 1.227 121.234 119.950 0.095 0.000 2.408 476 F HA -0.192 4.335 4.527 0.000 0.000 0.300 476 F C 2.150 178.078 175.800 0.215 0.000 1.090 476 F CA 1.175 59.231 58.000 0.094 0.000 1.427 476 F CB -0.062 38.981 39.000 0.073 0.000 1.070 476 F HN 0.411 nan 8.300 nan 0.000 0.549 477 D N 0.135 120.769 120.400 0.390 0.000 2.240 477 D HA -0.134 4.506 4.640 0.000 0.000 0.206 477 D C 1.122 177.600 176.300 0.296 0.000 0.963 477 D CA 0.762 55.001 54.000 0.398 0.000 0.863 477 D CB -0.924 40.063 40.800 0.312 0.000 0.973 477 D HN 0.326 nan 8.370 nan 0.000 0.501 478 E N -0.885 119.412 120.200 0.161 0.000 2.405 478 E HA 0.021 4.371 4.350 0.000 0.000 0.194 478 E C 0.368 177.034 176.600 0.109 0.000 1.149 478 E CA -0.178 56.274 56.400 0.086 0.000 0.933 478 E CB -0.324 29.355 29.700 -0.035 0.000 1.028 478 E HN 0.337 nan 8.360 nan 0.000 0.487 479 F N -0.401 119.529 119.950 -0.033 0.000 2.553 479 F HA 0.204 4.732 4.527 0.000 0.000 0.282 479 F C 0.070 175.687 175.800 -0.306 0.000 1.089 479 F CA -0.151 57.712 58.000 -0.228 0.000 1.411 479 F CB 0.670 39.430 39.000 -0.400 0.000 1.125 479 F HN -0.206 nan 8.300 nan 0.000 0.610 480 F N 1.150 121.261 119.950 0.268 0.000 2.420 480 F HA 0.254 4.781 4.527 0.000 0.000 0.342 480 F C 1.721 177.576 175.800 0.093 0.000 1.113 480 F CA -0.387 57.718 58.000 0.175 0.000 1.059 480 F CB 1.329 40.501 39.000 0.287 0.000 1.128 480 F HN -0.054 nan 8.300 nan 0.000 0.475 481 S N 0.280 116.105 115.700 0.207 0.000 2.400 481 S HA -0.049 4.421 4.470 0.000 0.000 0.232 481 S C 0.379 175.066 174.600 0.145 0.000 1.025 481 S CA 1.078 59.351 58.200 0.121 0.000 0.993 481 S CB -0.058 63.184 63.200 0.070 0.000 0.808 481 S HN 0.793 nan 8.310 nan 0.000 0.478 482 E N -1.738 118.571 120.200 0.182 0.000 2.281 482 E HA 0.540 4.890 4.350 0.000 0.000 0.255 482 E C -0.804 175.859 176.600 0.105 0.000 1.229 482 E CA -0.367 56.115 56.400 0.137 0.000 0.908 482 E CB 1.227 30.977 29.700 0.083 0.000 1.670 482 E HN 0.460 nan 8.360 nan 0.000 0.480 483 G N -0.469 108.361 108.800 0.050 0.000 2.347 483 G HA2 0.108 4.068 3.960 0.000 0.000 0.477 483 G HA3 0.108 4.068 3.960 0.000 0.000 0.477 483 G C -1.663 173.247 174.900 0.016 0.000 1.349 483 G CA -0.402 44.674 45.100 -0.040 0.000 1.000 483 G HN 0.639 nan 8.290 nan 0.000 0.605 484 c N 0.781 119.358 118.600 -0.039 0.000 2.319 484 c HA 0.931 5.501 4.570 0.000 0.000 0.323 484 c C 0.614 174.765 174.090 0.101 0.000 1.277 484 c CA 0.662 57.037 56.329 0.076 0.000 1.517 484 c CB -0.071 42.565 42.510 0.209 0.000 2.206 484 c HN 2.192 nan 8.230 nan 0.000 0.486 485 A N 8.612 131.549 122.820 0.196 0.000 2.943 485 A HA 0.578 4.898 4.320 0.000 0.000 0.327 485 A C -2.613 175.033 177.584 0.103 0.000 1.141 485 A CA -0.968 51.221 52.037 0.253 0.000 0.773 485 A CB 0.348 19.638 19.000 0.484 0.000 1.143 485 A HN 0.796 nan 8.150 nan 0.000 0.463 486 P HA 0.152 nan 4.420 nan 0.000 0.261 486 P C 0.943 178.238 177.300 -0.007 0.000 1.173 486 P CA 2.052 65.194 63.100 0.071 0.000 0.760 486 P CB 0.795 32.587 31.700 0.153 0.000 0.783 487 G N 1.448 110.229 108.800 -0.031 0.000 2.260 487 G HA2 -0.162 3.798 3.960 0.000 0.000 0.179 487 G HA3 -0.162 3.798 3.960 0.000 0.000 0.179 487 G C 0.450 175.289 174.900 -0.101 0.000 1.002 487 G CA -0.033 45.017 45.100 -0.083 0.000 0.677 487 G HN 0.555 nan 8.290 nan 0.000 0.486 488 S N 0.117 115.776 115.700 -0.069 0.000 2.549 488 S HA 0.391 4.861 4.470 0.000 0.000 0.260 488 S C 1.267 175.862 174.600 -0.008 0.000 1.217 488 S CA -0.150 58.027 58.200 -0.038 0.000 1.001 488 S CB 0.367 63.580 63.200 0.022 0.000 1.059 488 S HN 0.196 nan 8.310 nan 0.000 0.537 489 K N 1.040 121.450 120.400 0.017 0.000 2.611 489 K HA 0.062 4.382 4.320 0.000 0.000 0.193 489 K C -0.001 176.610 176.600 0.018 0.000 1.026 489 K CA 0.279 56.577 56.287 0.018 0.000 1.063 489 K CB -0.465 32.053 32.500 0.030 0.000 0.839 489 K HN 0.491 nan 8.250 nan 0.000 0.505 490 K N 0.131 120.542 120.400 0.018 0.000 3.472 490 K HA -0.194 4.126 4.320 0.000 0.000 0.315 490 K C -0.026 176.589 176.600 0.026 0.000 1.320 490 K CA 1.652 57.949 56.287 0.017 0.000 0.962 490 K CB -0.914 31.590 32.500 0.007 0.000 1.251 490 K HN 0.401 nan 8.250 nan 0.000 0.443 491 D N -1.467 118.954 120.400 0.036 0.000 2.530 491 D HA 0.017 4.657 4.640 0.000 0.000 0.290 491 D C 0.324 176.656 176.300 0.054 0.000 1.398 491 D CA 0.333 54.356 54.000 0.039 0.000 0.848 491 D CB -0.308 40.510 40.800 0.030 0.000 1.279 491 D HN 0.134 nan 8.370 nan 0.000 0.483 492 S N -0.496 115.246 115.700 0.070 0.000 2.634 492 S HA 0.187 4.657 4.470 0.000 0.000 0.254 492 S C 1.449 176.114 174.600 0.107 0.000 1.299 492 S CA 0.217 58.473 58.200 0.094 0.000 0.974 492 S CB 1.190 64.463 63.200 0.122 0.000 1.001 492 S HN 0.049 nan 8.310 nan 0.000 0.584 493 S N -0.688 115.093 115.700 0.136 0.000 2.453 493 S HA 0.080 4.550 4.470 0.000 0.000 0.231 493 S C 1.453 176.152 174.600 0.165 0.000 1.005 493 S CA 0.601 58.887 58.200 0.143 0.000 0.949 493 S CB -0.896 62.405 63.200 0.168 0.000 0.774 493 S HN 0.596 nan 8.310 nan 0.000 0.510 494 L N -0.465 120.877 121.223 0.198 0.000 2.463 494 L HA 0.220 4.560 4.340 0.000 0.000 0.219 494 L C 2.342 179.306 176.870 0.158 0.000 1.088 494 L CA 0.133 55.101 54.840 0.213 0.000 0.849 494 L CB -0.293 41.968 42.059 0.336 0.000 1.012 494 L HN 0.375 nan 8.230 nan 0.000 0.468 495 c N 0.617 119.293 118.600 0.126 0.000 2.551 495 c HA -0.034 4.536 4.570 0.000 0.000 0.277 495 c C 2.563 176.699 174.090 0.076 0.000 1.349 495 c CA 0.254 56.638 56.329 0.091 0.000 1.750 495 c CB -0.302 42.248 42.510 0.066 0.000 2.058 495 c HN 0.483 nan 8.230 nan 0.000 0.518 496 K N 0.411 120.857 120.400 0.077 0.000 2.555 496 K HA 0.002 4.323 4.320 0.000 0.000 0.193 496 K C 1.158 177.797 176.600 0.065 0.000 1.032 496 K CA 0.987 57.311 56.287 0.060 0.000 1.004 496 K CB -0.182 32.352 32.500 0.057 0.000 0.804 496 K HN 0.490 nan 8.250 nan 0.000 0.496 497 L N 0.785 122.061 121.223 0.089 0.000 2.959 497 L HA 0.294 4.634 4.340 0.000 0.000 0.259 497 L C -0.625 176.349 176.870 0.174 0.000 1.185 497 L CA -0.546 54.361 54.840 0.112 0.000 0.998 497 L CB 0.591 42.710 42.059 0.099 0.000 1.337 497 L HN 0.271 nan 8.230 nan 0.000 0.555 501 S N -0.492 115.180 115.700 -0.046 0.000 2.775 501 S HA 0.286 4.756 4.470 0.000 0.000 0.250 501 S C 2.071 176.654 174.600 -0.028 0.000 1.391 501 S CA 0.606 58.786 58.200 -0.034 0.000 0.972 501 S CB 0.141 63.323 63.200 -0.030 0.000 0.963 501 S HN 1.488 nan 8.310 nan 0.000 0.570 502 G N -0.681 108.106 108.800 -0.022 0.000 2.448 502 G HA2 -0.005 3.955 3.960 0.000 0.000 0.218 502 G HA3 -0.005 3.955 3.960 0.000 0.000 0.218 502 G C 1.062 175.952 174.900 -0.017 0.000 1.135 502 G CA 0.424 45.514 45.100 -0.017 0.000 0.784 502 G HN 0.436 nan 8.290 nan 0.000 0.543 503 L N -0.069 121.141 121.223 -0.020 0.000 2.269 503 L HA 0.155 4.495 4.340 0.000 0.000 0.200 503 L C 1.495 178.348 176.870 -0.028 0.000 1.069 503 L CA 0.270 55.097 54.840 -0.021 0.000 0.804 503 L CB -0.209 41.837 42.059 -0.021 0.000 0.987 503 L HN 0.048 nan 8.230 nan 0.000 0.468 504 N N 1.594 120.274 118.700 -0.035 0.000 2.471 504 N HA 0.035 4.775 4.740 0.000 0.000 0.205 504 N C 0.225 175.709 175.510 -0.043 0.000 1.251 504 N CA 0.074 53.097 53.050 -0.046 0.000 0.843 504 N CB 0.113 38.568 38.487 -0.054 0.000 1.044 504 N HN 0.104 nan 8.380 nan 0.000 0.461 505 L N 1.181 122.384 121.223 -0.032 0.000 2.500 505 L HA 0.057 4.397 4.340 0.000 0.000 0.272 505 L C 0.558 177.418 176.870 -0.016 0.000 1.149 505 L CA -0.168 54.657 54.840 -0.026 0.000 0.897 505 L CB -0.316 41.732 42.059 -0.017 0.000 1.178 505 L HN 0.348 nan 8.230 nan 0.000 0.473 506 c N 4.895 123.489 118.600 -0.011 0.000 3.004 506 c HA -0.143 4.427 4.570 0.000 0.000 0.267 506 c C 0.092 174.183 174.090 0.003 0.000 1.211 506 c CA 0.314 56.651 56.329 0.013 0.000 2.485 506 c CB -2.130 40.397 42.510 0.027 0.000 1.539 506 c HN 0.883 nan 8.230 nan 0.000 0.462 507 E N 4.552 124.746 120.200 -0.009 0.000 2.266 507 E HA 0.421 4.772 4.350 0.000 0.000 0.268 507 E C -2.185 174.395 176.600 -0.034 0.000 0.879 507 E CA -1.608 54.772 56.400 -0.033 0.000 0.762 507 E CB 1.938 31.600 29.700 -0.065 0.000 1.199 507 E HN 0.382 nan 8.360 nan 0.000 0.422 508 P HA 0.016 nan 4.420 nan 0.000 0.231 508 P C -0.981 176.152 177.300 -0.278 0.000 1.756 508 P CA 0.361 63.489 63.100 0.047 0.000 0.990 508 P CB -0.652 31.085 31.700 0.062 0.000 1.973 509 N N -0.901 117.321 118.700 -0.796 0.000 3.020 509 N HA 0.143 4.883 4.740 0.000 0.000 0.248 509 N C 0.417 175.222 175.510 -1.174 0.000 1.480 509 N CA -0.943 51.448 53.050 -1.099 0.000 0.874 509 N CB 0.023 38.253 38.487 -0.428 0.000 1.433 509 N HN -0.352 nan 8.380 nan 0.000 0.530 510 N N 0.181 118.464 118.700 -0.694 0.000 2.289 510 N HA -0.098 4.642 4.740 0.000 0.000 0.184 510 N C 0.776 176.204 175.510 -0.137 0.000 1.016 510 N CA 1.057 53.963 53.050 -0.240 0.000 0.872 510 N CB -0.135 38.317 38.487 -0.059 0.000 0.973 510 N HN 0.498 nan 8.380 nan 0.000 0.433 511 K N 0.602 120.901 120.400 -0.167 0.000 2.585 511 K HA -0.088 4.232 4.320 0.000 0.000 0.194 511 K C 0.168 176.715 176.600 -0.089 0.000 1.037 511 K CA 0.312 56.539 56.287 -0.101 0.000 0.964 511 K CB 0.043 32.485 32.500 -0.097 0.000 0.787 511 K HN 0.159 nan 8.250 nan 0.000 0.488 512 E N -1.988 118.154 120.200 -0.098 0.000 2.222 512 E HA 0.296 4.646 4.350 0.000 0.000 0.267 512 E C 0.853 177.444 176.600 -0.015 0.000 0.963 512 E CA -0.315 56.055 56.400 -0.051 0.000 0.837 512 E CB 1.428 31.121 29.700 -0.011 0.000 1.183 512 E HN -0.014 nan 8.360 nan 0.000 0.403 513 G N 1.511 110.250 108.800 -0.101 0.000 2.417 513 G HA2 -0.139 3.821 3.960 0.000 0.000 0.212 513 G HA3 -0.139 3.821 3.960 0.000 0.000 0.212 513 G C 0.053 174.904 174.900 -0.081 0.000 1.187 513 G CA 0.221 45.213 45.100 -0.179 0.000 0.804 513 G HN 0.504 nan 8.290 nan 0.000 0.534 514 Y N 0.414 120.684 120.300 -0.051 0.000 2.955 514 Y HA 0.423 4.973 4.550 0.000 0.000 0.386 514 Y C -0.467 175.444 175.900 0.019 0.000 1.069 514 Y CA -2.008 56.047 58.100 -0.075 0.000 1.764 514 Y CB -1.157 37.245 38.460 -0.096 0.000 1.646 514 Y HN 0.234 nan 8.280 nan 0.000 0.486 515 Y N 0.012 120.357 120.300 0.074 0.000 2.387 515 Y HA 0.688 5.238 4.550 0.000 0.000 0.336 515 Y C 0.636 176.559 175.900 0.039 0.000 1.067 515 Y CA -0.139 57.985 58.100 0.040 0.000 1.114 515 Y CB 1.144 39.617 38.460 0.021 0.000 1.208 515 Y HN 0.468 nan 8.280 nan 0.000 0.458 516 G N 3.485 111.752 108.800 -0.888 0.000 2.698 516 G HA2 -0.328 3.632 3.960 0.000 0.000 0.225 516 G HA3 -0.328 3.632 3.960 0.000 0.000 0.225 516 G C -0.352 174.348 174.900 -0.334 0.000 1.345 516 G CA 0.149 44.861 45.100 -0.647 0.000 0.871 516 G HN 0.754 nan 8.290 nan 0.000 0.540 517 Y N 0.837 121.051 120.300 -0.143 0.000 2.516 517 Y HA 0.048 4.598 4.550 0.000 0.000 0.291 517 Y C 3.158 179.058 175.900 -0.000 0.000 1.131 517 Y CA 2.157 60.206 58.100 -0.083 0.000 1.281 517 Y CB -0.008 38.370 38.460 -0.136 0.000 1.013 517 Y HN 0.764 nan 8.280 nan 0.000 0.554 518 T N -4.343 110.323 114.554 0.186 0.000 2.983 518 T HA 0.070 4.420 4.350 0.000 0.000 0.250 518 T C 2.334 177.187 174.700 0.254 0.000 1.037 518 T CA 0.731 63.011 62.100 0.300 0.000 1.142 518 T CB -0.905 68.162 68.868 0.332 0.000 0.876 518 T HN 0.277 nan 8.240 nan 0.000 0.455 519 G N 1.506 110.382 108.800 0.128 0.000 2.442 519 G HA2 0.016 3.976 3.960 0.000 0.000 0.219 519 G HA3 0.016 3.976 3.960 0.000 0.000 0.219 519 G C 1.861 176.751 174.900 -0.017 0.000 1.141 519 G CA 0.874 46.011 45.100 0.062 0.000 0.763 519 G HN 0.717 nan 8.290 nan 0.000 0.554 520 A N 0.265 123.060 122.820 -0.042 0.000 1.930 520 A HA 0.110 4.430 4.320 0.000 0.000 0.217 520 A C 2.138 179.653 177.584 -0.114 0.000 1.175 520 A CA 1.478 53.438 52.037 -0.129 0.000 0.627 520 A CB -0.496 18.448 19.000 -0.094 0.000 0.815 520 A HN 0.386 nan 8.150 nan 0.000 0.443 521 F N 0.888 120.746 119.950 -0.154 0.000 2.234 521 F HA -0.096 4.431 4.527 0.000 0.000 0.299 521 F C 2.226 177.931 175.800 -0.158 0.000 1.087 521 F CA 1.541 59.464 58.000 -0.128 0.000 1.340 521 F CB -0.351 38.641 39.000 -0.014 0.000 1.031 521 F HN 0.271 nan 8.300 nan 0.000 0.500 522 R N -0.265 120.013 120.500 -0.371 0.000 2.066 522 R HA -0.207 4.133 4.340 0.000 0.000 0.232 522 R C 2.617 178.564 176.300 -0.588 0.000 1.131 522 R CA 1.781 57.415 56.100 -0.776 0.000 0.955 522 R CB -1.370 28.116 30.300 -1.356 0.000 0.851 522 R HN 0.490 nan 8.270 nan 0.000 0.432 523 c N 0.768 118.849 118.600 -0.865 0.000 2.403 523 c HA -0.090 4.480 4.570 0.000 0.000 0.282 523 c C 2.444 176.158 174.090 -0.628 0.000 1.297 523 c CA 0.840 56.347 56.329 -1.369 0.000 1.785 523 c CB -1.121 40.556 42.510 -1.388 0.000 1.963 523 c HN 0.678 nan 8.230 nan 0.000 0.507 524 L N 0.936 121.908 121.223 -0.418 0.000 2.127 524 L HA 0.132 4.473 4.340 0.000 0.000 0.203 524 L C 2.362 179.141 176.870 -0.152 0.000 1.080 524 L CA 1.789 56.492 54.840 -0.229 0.000 0.768 524 L CB -0.522 41.472 42.059 -0.107 0.000 0.924 524 L HN 0.223 nan 8.230 nan 0.000 0.444 525 V N -0.243 119.537 119.914 -0.224 0.000 3.330 525 V HA -0.122 3.998 4.120 0.000 0.000 0.273 525 V C 1.238 177.300 176.094 -0.052 0.000 1.179 525 V CA 1.173 63.418 62.300 -0.091 0.000 1.174 525 V CB -1.221 30.546 31.823 -0.094 0.000 0.794 525 V HN 0.522 nan 8.190 nan 0.000 0.527 526 E N -0.695 119.444 120.200 -0.101 0.000 4.106 526 E HA 0.337 4.687 4.350 0.000 0.000 0.167 526 E C -0.135 176.426 176.600 -0.066 0.000 1.009 526 E CA -0.991 55.380 56.400 -0.049 0.000 1.003 526 E CB 0.453 30.155 29.700 0.003 0.000 1.840 526 E HN 0.110 nan 8.360 nan 0.000 0.386 527 K N 1.098 121.472 120.400 -0.043 0.000 2.360 527 K HA 0.221 4.541 4.320 0.000 0.000 0.225 527 K C -0.603 175.934 176.600 -0.106 0.000 1.246 527 K CA -0.035 56.227 56.287 -0.041 0.000 1.198 527 K CB -0.409 32.099 32.500 0.012 0.000 1.348 527 K HN 0.399 nan 8.250 nan 0.000 0.232 528 G N 1.029 109.758 108.800 -0.118 0.000 2.659 528 G HA2 0.062 4.022 3.960 0.000 0.000 0.291 528 G HA3 0.062 4.022 3.960 0.000 0.000 0.291 528 G C -0.588 174.250 174.900 -0.103 0.000 1.379 528 G CA -0.647 44.361 45.100 -0.153 0.000 1.254 528 G HN 0.095 nan 8.290 nan 0.000 0.590 529 D N 0.495 120.848 120.400 -0.078 0.000 2.110 529 D HA 0.005 4.645 4.640 0.000 0.000 0.202 529 D C 1.224 177.490 176.300 -0.057 0.000 0.975 529 D CA 1.037 55.016 54.000 -0.035 0.000 0.839 529 D CB 0.484 41.293 40.800 0.014 0.000 0.996 529 D HN 0.351 nan 8.370 nan 0.000 0.464 530 V N -0.396 119.438 119.914 -0.133 0.000 2.628 530 V HA 0.716 4.836 4.120 0.000 0.000 0.306 530 V C -1.551 174.280 176.094 -0.439 0.000 1.045 530 V CA -0.727 61.423 62.300 -0.249 0.000 0.905 530 V CB 1.696 33.379 31.823 -0.234 0.000 0.997 530 V HN 0.163 nan 8.190 nan 0.000 0.436 531 A N 5.720 128.263 122.820 -0.460 0.000 2.359 531 A HA 0.823 5.143 4.320 0.000 0.000 0.303 531 A C -1.384 175.941 177.584 -0.432 0.000 1.066 531 A CA -0.382 51.414 52.037 -0.403 0.000 0.730 531 A CB 1.014 19.916 19.000 -0.163 0.000 1.211 531 A HN 0.703 nan 8.150 nan 0.000 0.439 532 F N 2.857 122.813 119.950 0.010 0.000 2.334 532 F HA 0.512 5.039 4.527 0.000 0.000 0.367 532 F C 0.665 176.516 175.800 0.084 0.000 1.115 532 F CA -0.217 57.846 58.000 0.105 0.000 1.116 532 F CB 1.350 40.468 39.000 0.197 0.000 1.230 532 F HN 0.529 nan 8.300 nan 0.000 0.484 533 V N 0.131 120.198 119.914 0.256 0.000 3.149 533 V HA 0.658 4.778 4.120 0.000 0.000 0.310 533 V C -0.875 175.388 176.094 0.283 0.000 1.353 533 V CA -1.482 60.956 62.300 0.230 0.000 1.040 533 V CB 1.895 33.802 31.823 0.140 0.000 1.136 533 V HN 0.466 nan 8.190 nan 0.000 0.477 534 K N -0.823 119.714 120.400 0.229 0.000 2.208 534 K HA 0.497 4.817 4.320 0.000 0.000 0.247 534 K C 0.949 177.475 176.600 -0.123 0.000 0.953 534 K CA 0.092 56.436 56.287 0.095 0.000 0.837 534 K CB 1.592 33.974 32.500 -0.198 0.000 1.131 534 K HN 0.947 nan 8.250 nan 0.000 0.431 535 H N 0.627 119.640 119.070 -0.095 0.000 2.437 535 H HA -0.246 4.310 4.556 0.000 0.000 0.296 535 H C 0.757 175.910 175.328 -0.293 0.000 1.121 535 H CA 2.121 57.954 56.048 -0.359 0.000 1.255 535 H CB -0.218 28.889 29.762 -1.092 0.000 1.366 535 H HN 0.737 nan 8.280 nan 0.000 0.512 536 Q N 0.955 120.162 119.800 -0.989 0.000 2.244 536 Q HA 0.141 4.482 4.340 0.000 0.000 0.239 536 Q C 0.459 176.217 176.000 -0.403 0.000 0.890 536 Q CA 0.491 55.919 55.803 -0.625 0.000 0.964 536 Q CB 0.280 28.579 28.738 -0.732 0.000 1.076 536 Q HN 0.684 nan 8.270 nan 0.000 0.447 537 T N -4.728 109.625 114.554 -0.334 0.000 3.026 537 T HA 0.102 4.452 4.350 0.000 0.000 0.245 537 T C 1.718 176.154 174.700 -0.440 0.000 1.004 537 T CA 0.414 62.326 62.100 -0.313 0.000 1.069 537 T CB -0.294 68.438 68.868 -0.226 0.000 1.005 537 T HN 0.090 nan 8.240 nan 0.000 0.472 538 V N 2.730 122.395 119.914 -0.415 0.000 2.229 538 V HA 0.022 4.143 4.120 0.000 0.000 0.243 538 V C -0.843 175.074 176.094 -0.295 0.000 1.042 538 V CA 1.405 63.408 62.300 -0.495 0.000 1.000 538 V CB -1.564 30.102 31.823 -0.262 0.000 0.637 538 V HN 0.334 nan 8.190 nan 0.000 0.446 539 P HA -0.059 nan 4.420 nan 0.000 0.251 539 P C 1.059 178.309 177.300 -0.084 0.000 1.251 539 P CA 0.998 64.057 63.100 -0.068 0.000 0.763 539 P CB -0.027 31.670 31.700 -0.004 0.000 1.067 540 Q N -0.942 118.772 119.800 -0.144 0.000 2.322 540 Q HA 0.129 4.470 4.340 0.000 0.000 0.250 540 Q C 0.686 176.623 176.000 -0.105 0.000 0.853 540 Q CA 0.332 56.062 55.803 -0.121 0.000 0.951 540 Q CB 0.202 28.850 28.738 -0.149 0.000 1.114 540 Q HN 0.008 nan 8.270 nan 0.000 0.523 541 N N 0.778 119.388 118.700 -0.149 0.000 2.234 541 N HA 0.083 4.823 4.740 0.000 0.000 0.227 541 N C -0.849 174.694 175.510 0.056 0.000 1.151 541 N CA 0.252 53.277 53.050 -0.042 0.000 0.865 541 N CB 1.226 39.729 38.487 0.026 0.000 1.066 541 N HN 0.317 nan 8.380 nan 0.000 0.515 542 T N -5.806 108.751 114.554 0.005 0.000 2.676 542 T HA 0.596 4.946 4.350 0.000 0.000 0.269 542 T C 0.960 175.676 174.700 0.028 0.000 0.952 542 T CA -0.239 61.904 62.100 0.072 0.000 1.040 542 T CB 1.109 70.039 68.868 0.104 0.000 1.352 542 T HN -0.042 nan 8.240 nan 0.000 0.554 543 G N -0.440 108.387 108.800 0.045 0.000 2.203 543 G HA2 0.158 4.118 3.960 0.000 0.000 0.263 543 G HA3 0.158 4.118 3.960 0.000 0.000 0.263 543 G C 1.305 176.207 174.900 0.003 0.000 1.012 543 G CA 0.900 46.014 45.100 0.023 0.000 0.749 543 G HN 2.423 nan 8.290 nan 0.000 0.512 544 G N -1.095 107.701 108.800 -0.005 0.000 2.168 544 G HA2 -0.315 3.645 3.960 0.000 0.000 0.263 544 G HA3 -0.315 3.645 3.960 0.000 0.000 0.263 544 G C 0.958 175.831 174.900 -0.046 0.000 0.977 544 G CA 1.244 46.325 45.100 -0.031 0.000 0.659 544 G HN 1.007 nan 8.290 nan 0.000 0.533 545 K N -0.004 120.371 120.400 -0.040 0.000 2.515 545 K HA 0.052 4.372 4.320 0.000 0.000 0.196 545 K C 0.820 177.379 176.600 -0.067 0.000 1.038 545 K CA 0.762 57.022 56.287 -0.045 0.000 0.967 545 K CB -0.020 32.457 32.500 -0.038 0.000 0.780 545 K HN 0.482 nan 8.250 nan 0.000 0.483 546 N N -0.144 118.493 118.700 -0.105 0.000 2.569 546 N HA 0.159 4.899 4.740 0.000 0.000 0.254 546 N C -2.429 172.967 175.510 -0.191 0.000 1.004 546 N CA -2.084 50.867 53.050 -0.165 0.000 0.904 546 N CB 1.396 39.720 38.487 -0.271 0.000 1.165 546 N HN -0.183 nan 8.380 nan 0.000 0.513 547 P HA 0.005 nan 4.420 nan 0.000 0.252 547 P C -0.597 176.621 177.300 -0.136 0.000 1.265 547 P CA 0.383 63.416 63.100 -0.111 0.000 0.775 547 P CB 0.247 31.907 31.700 -0.066 0.000 1.128 548 D N 0.903 121.164 120.400 -0.231 0.000 2.377 548 D HA 0.086 4.726 4.640 0.000 0.000 0.245 548 D C -1.340 174.801 176.300 -0.265 0.000 1.196 548 D CA -1.556 52.296 54.000 -0.245 0.000 0.962 548 D CB 0.725 41.306 40.800 -0.365 0.000 1.127 548 D HN -0.056 nan 8.370 nan 0.000 0.471 549 P HA -0.159 nan 4.420 nan 0.000 0.210 549 P C 1.758 179.044 177.300 -0.024 0.000 1.185 549 P CA 1.461 64.554 63.100 -0.012 0.000 0.924 549 P CB -0.192 31.578 31.700 0.116 0.000 0.786 550 W N 0.411 121.725 121.300 0.023 0.000 2.332 550 W HA -0.041 4.620 4.660 0.000 0.000 0.321 550 W C 1.464 177.994 176.519 0.018 0.000 1.219 550 W CA 1.288 58.643 57.345 0.017 0.000 1.277 550 W CB -2.151 27.320 29.460 0.018 0.000 1.161 550 W HN -0.112 nan 8.180 nan 0.000 0.476 551 A N 3.269 125.597 122.820 -0.821 0.000 2.416 551 A HA 0.004 4.324 4.320 0.000 0.000 0.252 551 A C 2.031 179.397 177.584 -0.364 0.000 1.353 551 A CA 0.753 52.410 52.037 -0.634 0.000 0.996 551 A CB -0.806 17.461 19.000 -1.222 0.000 0.961 551 A HN 0.327 nan 8.150 nan 0.000 0.523 552 K N 1.452 121.711 120.400 -0.236 0.000 2.097 552 K HA -0.239 4.081 4.320 0.000 0.000 0.214 552 K C -0.072 176.474 176.600 -0.090 0.000 1.052 552 K CA 2.416 58.620 56.287 -0.138 0.000 0.932 552 K CB -0.595 31.866 32.500 -0.063 0.000 0.716 552 K HN 0.720 nan 8.250 nan 0.000 0.455 553 N N -1.016 117.656 118.700 -0.046 0.000 2.537 553 N HA 0.120 4.861 4.740 0.000 0.000 0.239 553 N C -0.588 174.953 175.510 0.052 0.000 1.402 553 N CA -0.351 52.697 53.050 -0.004 0.000 1.311 553 N CB -0.376 38.111 38.487 -0.001 0.000 1.386 553 N HN -0.087 nan 8.380 nan 0.000 0.561 554 L N 0.635 121.913 121.223 0.092 0.000 2.517 554 L HA 0.080 4.420 4.340 0.000 0.000 0.294 554 L C 0.130 177.132 176.870 0.220 0.000 1.264 554 L CA 0.937 55.894 54.840 0.196 0.000 0.839 554 L CB -0.152 42.094 42.059 0.312 0.000 1.098 554 L HN 0.398 nan 8.230 nan 0.000 0.525 555 N N 0.550 119.408 118.700 0.263 0.000 2.408 555 N HA 0.110 4.850 4.740 0.000 0.000 0.280 555 N C 0.807 176.515 175.510 0.330 0.000 1.002 555 N CA -0.420 52.760 53.050 0.218 0.000 0.907 555 N CB 1.399 39.962 38.487 0.126 0.000 1.161 555 N HN 0.505 nan 8.380 nan 0.000 0.488 556 E N 2.048 122.393 120.200 0.241 0.000 2.118 556 E HA -0.298 4.053 4.350 0.000 0.000 0.195 556 E C 1.110 177.853 176.600 0.239 0.000 0.992 556 E CA 1.332 57.873 56.400 0.234 0.000 0.804 556 E CB 0.238 30.002 29.700 0.107 0.000 0.741 556 E HN 0.299 nan 8.360 nan 0.000 0.458 557 K N 0.904 121.397 120.400 0.155 0.000 2.280 557 K HA -0.130 4.190 4.320 0.000 0.000 0.202 557 K C 1.083 177.731 176.600 0.081 0.000 1.047 557 K CA 1.512 57.860 56.287 0.102 0.000 0.942 557 K CB 0.016 32.554 32.500 0.063 0.000 0.739 557 K HN 0.116 nan 8.250 nan 0.000 0.457 558 D N -0.965 119.481 120.400 0.077 0.000 2.349 558 D HA -0.006 4.634 4.640 0.000 0.000 0.224 558 D C -0.489 175.665 176.300 -0.243 0.000 1.029 558 D CA 0.499 54.442 54.000 -0.095 0.000 0.879 558 D CB 0.128 40.818 40.800 -0.183 0.000 0.906 558 D HN 0.161 nan 8.370 nan 0.000 0.528 559 Y N 0.261 120.618 120.300 0.094 0.000 2.468 559 Y HA 0.424 4.974 4.550 0.000 0.000 0.342 559 Y C 0.359 176.305 175.900 0.077 0.000 1.021 559 Y CA -0.970 57.194 58.100 0.106 0.000 1.079 559 Y CB 1.922 40.489 38.460 0.178 0.000 1.226 559 Y HN -0.333 nan 8.280 nan 0.000 0.460 560 E N 2.228 122.557 120.200 0.215 0.000 2.317 560 E HA 0.541 4.891 4.350 0.000 0.000 0.270 560 E C -1.689 174.989 176.600 0.130 0.000 0.885 560 E CA -0.727 55.755 56.400 0.138 0.000 0.760 560 E CB 1.553 31.304 29.700 0.085 0.000 1.227 560 E HN 0.610 nan 8.360 nan 0.000 0.434 561 L N 3.820 125.105 121.223 0.103 0.000 2.350 561 L HA 0.383 4.723 4.340 0.000 0.000 0.275 561 L C 0.040 176.950 176.870 0.068 0.000 1.099 561 L CA -0.598 54.296 54.840 0.091 0.000 0.808 561 L CB 0.787 42.903 42.059 0.094 0.000 1.149 561 L HN 0.502 nan 8.230 nan 0.000 0.442 562 L N 2.410 123.672 121.223 0.064 0.000 2.307 562 L HA 0.441 4.781 4.340 0.000 0.000 0.282 562 L C -0.619 176.231 176.870 -0.034 0.000 1.051 562 L CA -0.349 54.522 54.840 0.051 0.000 0.804 562 L CB 1.291 43.420 42.059 0.116 0.000 1.197 562 L HN 0.719 nan 8.230 nan 0.000 0.431 563 c N 3.994 122.560 118.600 -0.057 0.000 2.399 563 c HA 0.313 4.883 4.570 0.000 0.000 0.348 563 c C 1.720 175.665 174.090 -0.241 0.000 1.183 563 c CA -0.835 55.409 56.329 -0.142 0.000 2.023 563 c CB 1.294 43.746 42.510 -0.098 0.000 2.361 563 c HN 0.929 nan 8.230 nan 0.000 0.521 564 L N 1.720 122.734 121.223 -0.349 0.000 2.017 564 L HA -0.162 4.178 4.340 0.000 0.000 0.208 564 L C 2.530 179.313 176.870 -0.146 0.000 1.073 564 L CA 1.898 56.467 54.840 -0.451 0.000 0.745 564 L CB -0.455 41.406 42.059 -0.330 0.000 0.894 564 L HN 0.843 nan 8.230 nan 0.000 0.432 565 D N -1.050 119.304 120.400 -0.076 0.000 2.265 565 D HA -0.163 4.477 4.640 0.000 0.000 0.208 565 D C 1.530 177.863 176.300 0.055 0.000 0.977 565 D CA 1.447 55.449 54.000 0.003 0.000 0.871 565 D CB 0.112 40.903 40.800 -0.015 0.000 0.925 565 D HN 0.474 nan 8.370 nan 0.000 0.485 566 G N 0.012 108.847 108.800 0.058 0.000 2.905 566 G HA2 -0.237 3.723 3.960 0.000 0.000 0.196 566 G HA3 -0.237 3.723 3.960 0.000 0.000 0.196 566 G C 0.739 175.686 174.900 0.079 0.000 1.044 566 G CA 0.414 45.580 45.100 0.111 0.000 0.778 566 G HN 0.704 nan 8.290 nan 0.000 0.474 567 T N -0.305 114.272 114.554 0.039 0.000 2.732 567 T HA 0.617 4.967 4.350 0.000 0.000 0.365 567 T C 0.485 175.204 174.700 0.031 0.000 1.077 567 T CA 0.568 62.686 62.100 0.029 0.000 1.044 567 T CB 0.808 69.682 68.868 0.009 0.000 1.220 567 T HN 0.605 nan 8.240 nan 0.000 0.517 568 R N -0.527 119.987 120.500 0.023 0.000 2.808 568 R HA 0.726 5.066 4.340 0.000 0.000 0.272 568 R C -1.036 175.273 176.300 0.014 0.000 0.995 568 R CA -1.023 55.093 56.100 0.027 0.000 0.917 568 R CB 2.253 32.576 30.300 0.040 0.000 1.217 568 R HN 0.644 nan 8.270 nan 0.000 0.471 569 K N 0.905 121.316 120.400 0.018 0.000 2.575 569 K HA 0.368 4.688 4.320 0.000 0.000 0.279 569 K C -2.831 173.785 176.600 0.027 0.000 0.969 569 K CA -1.717 54.576 56.287 0.009 0.000 0.868 569 K CB 2.891 35.383 32.500 -0.013 0.000 1.457 569 K HN 0.323 nan 8.250 nan 0.000 0.426 570 P HA 0.042 nan 4.420 nan 0.000 0.274 570 P C 0.569 177.899 177.300 0.050 0.000 1.256 570 P CA -0.319 62.804 63.100 0.038 0.000 0.795 570 P CB 0.680 32.392 31.700 0.020 0.000 1.038 571 V N -0.315 119.648 119.914 0.081 0.000 3.305 571 V HA -0.141 3.979 4.120 0.000 0.000 0.269 571 V C 2.533 178.687 176.094 0.099 0.000 1.157 571 V CA 1.582 63.960 62.300 0.129 0.000 1.157 571 V CB -1.606 30.292 31.823 0.125 0.000 0.772 571 V HN 0.565 nan 8.190 nan 0.000 0.498 572 E N 2.504 122.706 120.200 0.004 0.000 2.031 572 E HA -0.208 4.142 4.350 0.000 0.000 0.193 572 E C 1.398 177.843 176.600 -0.258 0.000 0.994 572 E CA 1.580 57.932 56.400 -0.079 0.000 0.800 572 E CB -0.027 29.638 29.700 -0.059 0.000 0.752 572 E HN 0.863 nan 8.360 nan 0.000 0.447 573 E N -0.272 119.783 120.200 -0.240 0.000 3.012 573 E HA 0.085 4.435 4.350 0.000 0.000 0.228 573 E C 0.245 176.651 176.600 -0.323 0.000 1.184 573 E CA -0.353 55.835 56.400 -0.353 0.000 1.407 573 E CB -0.412 29.166 29.700 -0.204 0.000 1.438 573 E HN 0.366 nan 8.360 nan 0.000 0.435 574 Y N -0.466 119.752 120.300 -0.136 0.000 2.315 574 Y HA -0.052 4.498 4.550 0.000 0.000 0.288 574 Y C 2.196 177.955 175.900 -0.235 0.000 1.154 574 Y CA 0.663 58.673 58.100 -0.150 0.000 1.229 574 Y CB -0.899 37.483 38.460 -0.130 0.000 0.980 574 Y HN 0.303 nan 8.280 nan 0.000 0.540 575 A N 0.946 123.581 122.820 -0.309 0.000 2.042 575 A HA -0.291 4.029 4.320 0.000 0.000 0.222 575 A C 1.245 178.823 177.584 -0.010 0.000 1.167 575 A CA 2.084 53.986 52.037 -0.223 0.000 0.649 575 A CB -0.948 17.880 19.000 -0.286 0.000 0.809 575 A HN 0.615 nan 8.150 nan 0.000 0.457 576 N N -2.665 115.969 118.700 -0.109 0.000 2.467 576 N HA 0.319 5.059 4.740 0.000 0.000 0.278 576 N C -0.654 174.751 175.510 -0.176 0.000 1.306 576 N CA 0.186 53.146 53.050 -0.149 0.000 0.905 576 N CB 0.880 39.303 38.487 -0.108 0.000 1.236 576 N HN 0.298 nan 8.380 nan 0.000 0.509 577 c N 1.019 119.508 118.600 -0.185 0.000 3.034 577 c HA 0.167 4.737 4.570 0.000 0.000 0.292 577 c C -1.141 172.922 174.090 -0.044 0.000 1.956 577 c CA -0.395 55.857 56.329 -0.130 0.000 1.141 577 c CB -1.837 40.645 42.510 -0.047 0.000 2.091 577 c HN 0.661 nan 8.230 nan 0.000 0.631 578 H N -1.096 117.981 119.070 0.013 0.000 2.679 578 H HA 0.685 5.241 4.556 0.000 0.000 0.367 578 H C 0.640 175.970 175.328 0.004 0.000 1.162 578 H CA -1.089 54.999 56.048 0.067 0.000 1.181 578 H CB 0.580 30.462 29.762 0.201 0.000 1.693 578 H HN 0.090 nan 8.280 nan 0.000 0.538 579 L N 0.594 121.920 121.223 0.173 0.000 2.027 579 L HA 0.234 4.574 4.340 0.000 0.000 0.206 579 L C 0.918 177.893 176.870 0.175 0.000 1.074 579 L CA 1.516 56.371 54.840 0.025 0.000 0.745 579 L CB -0.321 41.745 42.059 0.012 0.000 0.898 579 L HN 0.875 nan 8.230 nan 0.000 0.433 580 A N -0.959 122.032 122.820 0.284 0.000 2.566 580 A HA 0.577 4.897 4.320 0.000 0.000 0.290 580 A C -1.154 176.450 177.584 0.034 0.000 1.071 580 A CA -0.633 51.533 52.037 0.214 0.000 0.658 580 A CB 1.096 20.177 19.000 0.134 0.000 1.285 580 A HN 0.058 nan 8.150 nan 0.000 0.427 581 R N 0.711 121.144 120.500 -0.112 0.000 2.265 581 R HA 0.620 4.960 4.340 0.000 0.000 0.328 581 R C -0.172 175.878 176.300 -0.416 0.000 0.969 581 R CA -0.004 55.844 56.100 -0.420 0.000 0.832 581 R CB 1.182 31.143 30.300 -0.564 0.000 1.139 581 R HN 1.167 nan 8.270 nan 0.000 0.457 582 A N 7.408 129.875 122.820 -0.588 0.000 2.395 582 A HA 0.342 4.663 4.320 0.000 0.000 0.286 582 A C -2.152 175.057 177.584 -0.626 0.000 1.193 582 A CA -1.333 50.341 52.037 -0.605 0.000 0.852 582 A CB 0.062 18.562 19.000 -0.834 0.000 1.118 582 A HN 0.593 nan 8.150 nan 0.000 0.524 583 P HA 0.213 nan 4.420 nan 0.000 0.278 583 P C -0.726 176.503 177.300 -0.118 0.000 1.266 583 P CA -0.575 62.272 63.100 -0.421 0.000 0.807 583 P CB 0.881 32.232 31.700 -0.582 0.000 1.094 584 N N -0.810 117.873 118.700 -0.028 0.000 2.447 584 N HA 0.193 4.934 4.740 0.000 0.000 0.271 584 N C 0.453 176.171 175.510 0.347 0.000 1.226 584 N CA -0.442 52.698 53.050 0.149 0.000 0.980 584 N CB -0.278 38.050 38.487 -0.264 0.000 1.206 584 N HN 0.476 nan 8.380 nan 0.000 0.558 585 H N -0.564 118.651 119.070 0.241 0.000 2.836 585 H HA 0.408 4.965 4.556 0.000 0.000 0.368 585 H C -0.305 175.127 175.328 0.174 0.000 1.164 585 H CA -0.285 55.901 56.048 0.231 0.000 1.425 585 H CB 0.651 30.584 29.762 0.286 0.000 1.414 585 H HN 0.556 nan 8.280 nan 0.000 0.614 586 A N 1.958 124.910 122.820 0.220 0.000 2.520 586 A HA 0.386 4.706 4.320 0.000 0.000 0.298 586 A C -0.819 176.801 177.584 0.061 0.000 1.051 586 A CA -0.693 51.384 52.037 0.067 0.000 0.690 586 A CB 1.228 20.079 19.000 -0.249 0.000 1.281 586 A HN 0.423 nan 8.150 nan 0.000 0.402 587 V N 2.234 122.212 119.914 0.107 0.000 2.555 587 V HA 0.430 4.550 4.120 0.000 0.000 0.286 587 V C 0.639 176.708 176.094 -0.041 0.000 1.044 587 V CA 0.127 62.483 62.300 0.094 0.000 1.026 587 V CB 0.904 32.907 31.823 0.301 0.000 0.981 587 V HN 1.157 nan 8.190 nan 0.000 0.480 588 V N 2.598 122.441 119.914 -0.118 0.000 3.019 588 V HA 1.075 5.195 4.120 0.000 0.000 0.317 588 V C -0.211 175.799 176.094 -0.141 0.000 1.094 588 V CA -0.135 62.093 62.300 -0.121 0.000 1.000 588 V CB 2.226 33.977 31.823 -0.120 0.000 1.060 588 V HN 1.012 nan 8.190 nan 0.000 0.443 589 T N -0.274 114.215 114.554 -0.109 0.000 2.718 589 T HA 0.531 4.881 4.350 0.000 0.000 0.306 589 T C -0.532 174.101 174.700 -0.112 0.000 1.485 589 T CA -0.948 61.084 62.100 -0.113 0.000 0.997 589 T CB 1.430 70.257 68.868 -0.069 0.000 1.504 589 T HN 1.012 nan 8.240 nan 0.000 0.497 590 R N 0.487 120.900 120.500 -0.144 0.000 2.694 590 R HA 0.291 4.632 4.340 0.000 0.000 0.268 590 R C 1.549 177.764 176.300 -0.143 0.000 1.061 590 R CA -0.511 55.472 56.100 -0.195 0.000 1.133 590 R CB 0.559 30.670 30.300 -0.315 0.000 1.020 590 R HN 0.747 nan 8.270 nan 0.000 0.475 591 K N 2.157 122.479 120.400 -0.131 0.000 2.052 591 K HA -0.200 4.120 4.320 0.000 0.000 0.215 591 K C 0.080 176.650 176.600 -0.050 0.000 1.053 591 K CA 2.318 58.569 56.287 -0.061 0.000 0.934 591 K CB -0.500 31.986 32.500 -0.023 0.000 0.717 591 K HN 0.750 nan 8.250 nan 0.000 0.450 592 D N -0.432 119.923 120.400 -0.076 0.000 2.356 592 D HA -0.008 4.632 4.640 0.000 0.000 0.258 592 D C 0.178 176.449 176.300 -0.049 0.000 1.279 592 D CA 0.026 54.001 54.000 -0.043 0.000 1.016 592 D CB 0.242 41.020 40.800 -0.036 0.000 1.107 592 D HN 0.207 nan 8.370 nan 0.000 0.544 593 K N -1.182 119.202 120.400 -0.027 0.000 3.577 593 K HA -0.358 3.962 4.320 0.000 0.000 0.300 593 K C 1.495 178.102 176.600 0.012 0.000 1.235 593 K CA 1.788 58.066 56.287 -0.015 0.000 1.028 593 K CB -1.158 31.315 32.500 -0.045 0.000 1.306 593 K HN 0.736 nan 8.250 nan 0.000 0.432 594 E N 1.054 121.261 120.200 0.012 0.000 2.038 594 E HA -0.181 4.169 4.350 0.000 0.000 0.195 594 E C 2.023 178.678 176.600 0.092 0.000 1.000 594 E CA 1.503 57.932 56.400 0.049 0.000 0.803 594 E CB -0.111 29.612 29.700 0.039 0.000 0.750 594 E HN 0.442 nan 8.360 nan 0.000 0.448 595 A N 0.613 123.466 122.820 0.054 0.000 1.883 595 A HA -0.212 4.108 4.320 0.000 0.000 0.217 595 A C 2.543 180.175 177.584 0.080 0.000 1.186 595 A CA 1.552 53.615 52.037 0.044 0.000 0.624 595 A CB -1.062 17.942 19.000 0.007 0.000 0.822 595 A HN 0.571 nan 8.150 nan 0.000 0.444 596 c N -1.374 117.264 118.600 0.064 0.000 2.432 596 c HA -0.058 4.512 4.570 0.000 0.000 0.277 596 c C 2.779 176.928 174.090 0.098 0.000 1.249 596 c CA 1.087 57.456 56.329 0.066 0.000 1.725 596 c CB -1.234 41.300 42.510 0.040 0.000 2.028 596 c HN 0.465 nan 8.230 nan 0.000 0.477 597 V N 0.182 120.162 119.914 0.111 0.000 2.307 597 V HA -0.230 3.890 4.120 0.000 0.000 0.245 597 V C 2.612 178.811 176.094 0.176 0.000 1.045 597 V CA 2.260 64.645 62.300 0.143 0.000 1.024 597 V CB -0.971 30.930 31.823 0.129 0.000 0.651 597 V HN 0.613 nan 8.190 nan 0.000 0.449 598 H N 0.934 120.051 119.070 0.079 0.000 2.319 598 H HA -0.212 4.344 4.556 0.000 0.000 0.297 598 H C 2.373 177.742 175.328 0.068 0.000 1.097 598 H CA 2.541 58.634 56.048 0.076 0.000 1.285 598 H CB 0.042 29.839 29.762 0.058 0.000 1.368 598 H HN 0.463 nan 8.280 nan 0.000 0.495 599 K N 0.239 120.802 120.400 0.272 0.000 1.980 599 K HA -0.066 4.254 4.320 0.000 0.000 0.208 599 K C 2.581 179.252 176.600 0.118 0.000 1.043 599 K CA 1.366 57.760 56.287 0.179 0.000 0.938 599 K CB -0.211 32.355 32.500 0.110 0.000 0.724 599 K HN 0.215 nan 8.250 nan 0.000 0.438 600 I N 1.303 121.932 120.570 0.099 0.000 2.194 600 I HA -0.287 3.883 4.170 0.000 0.000 0.246 600 I C 2.131 178.304 176.117 0.093 0.000 1.093 600 I CA 0.913 62.259 61.300 0.076 0.000 1.355 600 I CB -0.183 37.851 38.000 0.057 0.000 1.046 600 I HN 0.234 nan 8.210 nan 0.000 0.413 601 L N 0.430 121.730 121.223 0.127 0.000 2.549 601 L HA -0.114 4.226 4.340 0.000 0.000 0.229 601 L C 2.313 179.211 176.870 0.046 0.000 1.158 601 L CA 1.287 56.222 54.840 0.157 0.000 0.842 601 L CB -0.730 41.461 42.059 0.219 0.000 0.952 601 L HN 0.127 nan 8.230 nan 0.000 0.452 602 R N -1.098 119.395 120.500 -0.012 0.000 2.052 602 R HA -0.074 4.266 4.340 0.000 0.000 0.224 602 R C 2.154 178.235 176.300 -0.364 0.000 1.149 602 R CA 0.999 56.998 56.100 -0.169 0.000 0.962 602 R CB -0.105 30.168 30.300 -0.045 0.000 0.856 602 R HN 0.351 nan 8.270 nan 0.000 0.433 603 Q N 0.154 119.871 119.800 -0.137 0.000 2.045 603 Q HA -0.233 4.107 4.340 0.000 0.000 0.206 603 Q C 2.174 178.137 176.000 -0.062 0.000 0.991 603 Q CA 1.652 57.420 55.803 -0.059 0.000 0.851 603 Q CB -0.168 28.588 28.738 0.030 0.000 0.911 603 Q HN 0.372 nan 8.270 nan 0.000 0.418 604 Q N 0.610 120.430 119.800 0.033 0.000 2.135 604 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 604 Q C 2.000 178.051 176.000 0.085 0.000 0.981 604 Q CA 1.710 57.629 55.803 0.193 0.000 0.856 604 Q CB -0.246 28.742 28.738 0.416 0.000 0.902 604 Q HN 0.545 nan 8.270 nan 0.000 0.425 605 Q N -0.440 119.323 119.800 -0.063 0.000 2.230 605 Q HA -0.155 4.185 4.340 0.000 0.000 0.202 605 Q C 1.457 177.423 176.000 -0.057 0.000 0.963 605 Q CA 0.941 56.683 55.803 -0.101 0.000 0.866 605 Q CB 0.130 28.804 28.738 -0.108 0.000 0.931 605 Q HN 0.409 nan 8.270 nan 0.000 0.452 606 H N -0.134 118.920 119.070 -0.027 0.000 2.436 606 H HA 0.015 4.572 4.556 0.000 0.000 0.294 606 H C 1.838 177.071 175.328 -0.158 0.000 1.048 606 H CA 1.024 57.034 56.048 -0.063 0.000 1.353 606 H CB 0.118 29.851 29.762 -0.048 0.000 1.414 606 H HN 0.274 nan 8.280 nan 0.000 0.536 607 L N -0.972 120.132 121.223 -0.199 0.000 2.209 607 L HA -0.023 4.318 4.340 0.000 0.000 0.207 607 L C 0.686 177.070 176.870 -0.809 0.000 1.094 607 L CA 0.918 55.388 54.840 -0.617 0.000 0.790 607 L CB 0.030 41.458 42.059 -1.052 0.000 0.932 607 L HN 0.081 nan 8.230 nan 0.000 0.447 608 F N -1.300 118.664 119.950 0.023 0.000 2.817 608 F HA 0.389 4.916 4.527 0.000 0.000 0.319 608 F C 1.298 176.961 175.800 -0.228 0.000 1.136 608 F CA -0.714 57.237 58.000 -0.081 0.000 1.177 608 F CB -0.747 38.254 39.000 0.002 0.000 1.088 608 F HN -0.150 nan 8.300 nan 0.000 0.520 609 G N -0.417 108.380 108.800 -0.006 0.000 2.514 609 G HA2 0.091 4.051 3.960 0.000 0.000 0.245 609 G HA3 0.091 4.051 3.960 0.000 0.000 0.245 609 G C 0.611 175.611 174.900 0.167 0.000 1.488 609 G CA -0.190 44.976 45.100 0.109 0.000 1.063 609 G HN 0.096 nan 8.290 nan 0.000 0.557 610 S N -0.043 115.776 115.700 0.199 0.000 3.033 610 S HA 0.122 4.592 4.470 0.000 0.000 0.258 610 S C 0.469 175.093 174.600 0.039 0.000 1.207 610 S CA -0.197 58.054 58.200 0.085 0.000 1.248 610 S CB -1.156 62.045 63.200 0.001 0.000 0.932 610 S HN 0.489 nan 8.310 nan 0.000 0.472 611 D N 0.194 120.617 120.400 0.038 0.000 2.325 611 D HA 0.154 4.794 4.640 0.000 0.000 0.262 611 D C 0.247 176.549 176.300 0.004 0.000 1.263 611 D CA -0.297 53.712 54.000 0.015 0.000 1.020 611 D CB 0.512 41.315 40.800 0.006 0.000 1.117 611 D HN 0.084 nan 8.370 nan 0.000 0.545 612 V N -0.075 119.838 119.914 -0.001 0.000 2.953 612 V HA -0.044 4.076 4.120 0.000 0.000 0.304 612 V C 0.887 176.979 176.094 -0.003 0.000 1.138 612 V CA 0.537 62.835 62.300 -0.003 0.000 1.266 612 V CB 0.516 32.337 31.823 -0.004 0.000 0.923 612 V HN 0.539 nan 8.190 nan 0.000 0.505 613 T N 3.150 117.700 114.554 -0.006 0.000 4.729 613 T HA 0.040 4.390 4.350 0.000 0.000 0.219 613 T C 0.166 174.863 174.700 -0.006 0.000 0.849 613 T CA 0.156 62.250 62.100 -0.010 0.000 0.968 613 T CB -0.823 68.038 68.868 -0.012 0.000 1.436 613 T HN 0.682 nan 8.240 nan 0.000 1.056 614 D N 0.709 121.108 120.400 -0.001 0.000 2.615 614 D HA 0.208 4.848 4.640 0.000 0.000 0.236 614 D C 0.689 176.995 176.300 0.010 0.000 1.233 614 D CA -0.372 53.633 54.000 0.009 0.000 0.829 614 D CB -0.276 40.536 40.800 0.020 0.000 1.024 614 D HN 0.443 nan 8.370 nan 0.000 0.490 615 c N -0.541 118.052 118.600 -0.011 0.000 2.757 615 c HA 0.369 4.939 4.570 0.000 0.000 0.303 615 c C 1.917 176.000 174.090 -0.012 0.000 1.745 615 c CA -0.313 55.999 56.329 -0.029 0.000 2.052 615 c CB 0.693 43.163 42.510 -0.067 0.000 1.970 615 c HN 0.537 nan 8.230 nan 0.000 0.586 616 S N -0.038 115.651 115.700 -0.018 0.000 1.552 616 S HA -0.221 4.249 4.470 0.000 0.000 0.237 616 S C 1.231 175.840 174.600 0.014 0.000 0.756 616 S CA 1.607 59.804 58.200 -0.004 0.000 1.349 616 S CB -1.868 61.329 63.200 -0.005 0.000 1.675 616 S HN 1.248 nan 8.310 nan 0.000 0.517 617 G N 2.040 110.853 108.800 0.021 0.000 3.189 617 G HA2 0.513 4.474 3.960 0.000 0.000 0.225 617 G HA3 0.513 4.474 3.960 0.000 0.000 0.225 617 G C -0.060 174.874 174.900 0.057 0.000 1.159 617 G CA 0.388 45.508 45.100 0.034 0.000 0.763 617 G HN 0.604 nan 8.290 nan 0.000 0.549 618 N N -1.428 117.312 118.700 0.066 0.000 2.708 618 N HA 0.376 5.116 4.740 0.000 0.000 0.257 618 N C -1.825 173.755 175.510 0.117 0.000 1.373 618 N CA -0.895 52.227 53.050 0.120 0.000 0.843 618 N CB 1.902 40.471 38.487 0.136 0.000 1.503 618 N HN -0.054 nan 8.380 nan 0.000 0.504 619 F N 1.957 121.907 119.950 -0.001 0.000 2.456 619 F HA 0.456 4.983 4.527 0.000 0.000 0.358 619 F C -0.587 175.161 175.800 -0.086 0.000 1.095 619 F CA -0.440 57.477 58.000 -0.139 0.000 1.216 619 F CB 0.407 39.159 39.000 -0.413 0.000 1.125 619 F HN 0.293 nan 8.300 nan 0.000 0.549 620 c N 8.528 126.413 118.600 -1.192 0.000 2.291 620 c HA 0.216 4.786 4.570 0.000 0.000 0.322 620 c C 1.410 174.662 174.090 -1.396 0.000 1.205 620 c CA -1.112 54.651 56.329 -0.943 0.000 1.495 620 c CB 0.394 42.649 42.510 -0.425 0.000 2.127 620 c HN 0.985 nan 8.230 nan 0.000 0.452 621 L N 2.426 122.877 121.223 -1.288 0.000 2.265 621 L HA 0.038 4.379 4.340 0.000 0.000 0.215 621 L C 0.635 176.877 176.870 -1.048 0.000 1.117 621 L CA 2.099 56.200 54.840 -1.231 0.000 0.782 621 L CB -0.290 41.017 42.059 -1.252 0.000 0.914 621 L HN 0.723 nan 8.230 nan 0.000 0.441 622 F N -0.369 119.330 119.950 -0.419 0.000 2.855 622 F HA 0.333 4.861 4.527 0.000 0.000 0.317 622 F C 0.428 176.112 175.800 -0.193 0.000 1.169 622 F CA -0.646 57.194 58.000 -0.267 0.000 1.299 622 F CB 0.382 39.231 39.000 -0.250 0.000 0.962 622 F HN -0.109 nan 8.300 nan 0.000 0.506 623 R N 0.006 120.434 120.500 -0.121 0.000 2.628 623 R HA 0.616 4.957 4.340 0.000 0.000 0.288 623 R C -0.998 175.245 176.300 -0.096 0.000 0.980 623 R CA -0.407 55.635 56.100 -0.097 0.000 0.891 623 R CB 1.903 32.115 30.300 -0.147 0.000 1.188 623 R HN -0.054 nan 8.270 nan 0.000 0.450 624 S N 1.508 117.182 115.700 -0.042 0.000 2.513 624 S HA 0.165 4.635 4.470 0.000 0.000 0.299 624 S C 0.401 174.980 174.600 -0.035 0.000 1.087 624 S CA -0.771 57.416 58.200 -0.022 0.000 1.012 624 S CB 1.849 65.058 63.200 0.015 0.000 1.044 624 S HN 0.682 nan 8.310 nan 0.000 0.485 625 E N 2.186 122.364 120.200 -0.036 0.000 2.021 625 E HA -0.193 4.157 4.350 0.000 0.000 0.200 625 E C 2.009 178.555 176.600 -0.091 0.000 1.015 625 E CA 2.741 59.103 56.400 -0.062 0.000 0.824 625 E CB -0.283 29.372 29.700 -0.076 0.000 0.762 625 E HN 0.829 nan 8.360 nan 0.000 0.454 626 T N -2.815 111.665 114.554 -0.123 0.000 3.065 626 T HA 0.167 4.517 4.350 0.000 0.000 0.234 626 T C 0.751 175.421 174.700 -0.050 0.000 1.017 626 T CA 0.292 62.319 62.100 -0.122 0.000 1.292 626 T CB 0.058 68.804 68.868 -0.203 0.000 1.005 626 T HN 0.066 nan 8.240 nan 0.000 0.423 627 K N 0.393 120.783 120.400 -0.018 0.000 2.556 627 K HA 0.229 4.549 4.320 0.000 0.000 0.274 627 K C -1.491 175.133 176.600 0.040 0.000 0.966 627 K CA -0.647 55.646 56.287 0.010 0.000 0.865 627 K CB 1.621 34.132 32.500 0.019 0.000 1.444 627 K HN 0.302 nan 8.250 nan 0.000 0.433 628 D N 4.140 124.566 120.400 0.043 0.000 7.704 628 D HA -0.223 4.417 4.640 0.000 0.000 0.173 628 D C 0.930 177.297 176.300 0.111 0.000 1.279 628 D CA 0.794 54.840 54.000 0.076 0.000 0.871 628 D CB -0.543 40.295 40.800 0.064 0.000 1.624 628 D HN 0.394 nan 8.370 nan 0.000 0.916 629 L N 0.254 121.541 121.223 0.108 0.000 1.922 629 L HA -0.093 4.247 4.340 0.000 0.000 0.224 629 L C 2.605 179.545 176.870 0.117 0.000 1.109 629 L CA -0.036 54.872 54.840 0.114 0.000 1.405 629 L CB -0.472 41.648 42.059 0.101 0.000 1.179 629 L HN 0.198 nan 8.230 nan 0.000 0.700 630 L N -1.534 119.737 121.223 0.080 0.000 2.265 630 L HA -0.077 4.263 4.340 0.000 0.000 0.215 630 L C -0.258 176.463 176.870 -0.249 0.000 1.117 630 L CA 0.906 55.720 54.840 -0.043 0.000 0.782 630 L CB -0.259 41.693 42.059 -0.178 0.000 0.914 630 L HN 0.123 nan 8.230 nan 0.000 0.441 631 F N -1.882 118.172 119.950 0.173 0.000 2.613 631 F HA 0.432 4.959 4.527 0.000 0.000 0.310 631 F C 0.279 176.172 175.800 0.155 0.000 1.085 631 F CA -1.264 56.872 58.000 0.227 0.000 0.945 631 F CB 0.973 40.152 39.000 0.299 0.000 1.298 631 F HN -0.326 nan 8.300 nan 0.000 0.455 632 R N 1.176 121.860 120.500 0.308 0.000 2.570 632 R HA 0.021 4.362 4.340 0.000 0.000 0.277 632 R C -0.007 176.335 176.300 0.070 0.000 1.039 632 R CA 0.074 56.211 56.100 0.061 0.000 1.065 632 R CB 0.453 30.646 30.300 -0.179 0.000 0.964 632 R HN 0.625 nan 8.270 nan 0.000 0.428 633 D N 1.310 121.717 120.400 0.011 0.000 2.378 633 D HA -0.101 4.539 4.640 0.000 0.000 0.222 633 D C 0.582 176.845 176.300 -0.063 0.000 0.980 633 D CA 1.126 55.130 54.000 0.007 0.000 0.907 633 D CB 0.098 40.892 40.800 -0.009 0.000 0.899 633 D HN 0.522 nan 8.370 nan 0.000 0.527 634 D N -0.482 119.827 120.400 -0.153 0.000 2.427 634 D HA -0.017 4.623 4.640 0.000 0.000 0.224 634 D C -0.205 175.997 176.300 -0.163 0.000 1.157 634 D CA -0.146 53.734 54.000 -0.201 0.000 0.828 634 D CB -0.539 40.078 40.800 -0.304 0.000 0.974 634 D HN -0.220 nan 8.370 nan 0.000 0.498 635 T N 0.787 115.234 114.554 -0.177 0.000 2.739 635 T HA 0.158 4.508 4.350 0.000 0.000 0.298 635 T C 1.659 175.943 174.700 -0.693 0.000 0.929 635 T CA -0.447 61.474 62.100 -0.299 0.000 1.014 635 T CB 1.793 70.375 68.868 -0.475 0.000 0.914 635 T HN -0.128 nan 8.240 nan 0.000 0.509 636 V N 2.512 122.201 119.914 -0.375 0.000 2.358 636 V HA -0.032 4.088 4.120 0.000 0.000 0.246 636 V C 1.349 177.174 176.094 -0.448 0.000 1.047 636 V CA 0.976 63.075 62.300 -0.335 0.000 1.035 636 V CB -0.460 31.270 31.823 -0.155 0.000 0.658 636 V HN 1.105 nan 8.190 nan 0.000 0.452 637 c N -2.071 116.245 118.600 -0.473 0.000 3.292 637 c HA 0.549 5.119 4.570 0.000 0.000 0.338 637 c C -0.957 172.984 174.090 -0.249 0.000 1.323 637 c CA -1.375 54.763 56.329 -0.318 0.000 1.232 637 c CB 0.625 43.061 42.510 -0.123 0.000 1.517 637 c HN 0.168 nan 8.230 nan 0.000 0.470 638 L N 2.916 124.084 121.223 -0.092 0.000 2.315 638 L HA 0.570 4.910 4.340 0.000 0.000 0.278 638 L C 1.098 177.931 176.870 -0.062 0.000 1.088 638 L CA 0.042 54.857 54.840 -0.041 0.000 0.899 638 L CB 0.511 42.597 42.059 0.046 0.000 1.277 638 L HN 0.976 nan 8.230 nan 0.000 0.431 639 A N 4.670 127.437 122.820 -0.088 0.000 2.445 639 A HA 0.251 4.571 4.320 0.000 0.000 0.242 639 A C 0.316 177.839 177.584 -0.103 0.000 1.075 639 A CA -0.365 51.614 52.037 -0.096 0.000 0.777 639 A CB 0.236 19.164 19.000 -0.120 0.000 1.013 639 A HN 0.674 nan 8.150 nan 0.000 0.493 640 K N 2.956 123.293 120.400 -0.104 0.000 2.276 640 K HA 0.292 4.612 4.320 0.000 0.000 0.283 640 K C -0.294 176.260 176.600 -0.077 0.000 1.044 640 K CA -0.398 55.849 56.287 -0.067 0.000 0.944 640 K CB 0.795 33.363 32.500 0.115 0.000 1.012 640 K HN 0.600 nan 8.250 nan 0.000 0.472 641 L N 2.693 123.924 121.223 0.012 0.000 2.675 641 L HA -0.067 4.273 4.340 0.000 0.000 0.238 641 L C 0.931 177.885 176.870 0.141 0.000 1.155 641 L CA 0.393 55.262 54.840 0.049 0.000 0.881 641 L CB -1.513 40.588 42.059 0.070 0.000 1.008 641 L HN 0.922 nan 8.230 nan 0.000 0.443 642 H N 0.078 119.215 119.070 0.112 0.000 1.452 642 H HA -0.331 4.225 4.556 0.000 0.000 0.090 642 H C 0.600 175.971 175.328 0.072 0.000 0.726 642 H CA 1.194 57.296 56.048 0.090 0.000 1.901 642 H CB -0.968 28.830 29.762 0.060 0.000 2.257 642 H HN 0.651 nan 8.280 nan 0.000 0.961 643 D N 2.971 123.499 120.400 0.214 0.000 2.515 643 D HA -0.033 4.607 4.640 0.000 0.000 0.232 643 D C 0.601 176.963 176.300 0.103 0.000 1.157 643 D CA 0.176 54.244 54.000 0.112 0.000 0.871 643 D CB 0.381 41.233 40.800 0.087 0.000 1.200 643 D HN 0.446 nan 8.370 nan 0.000 0.466 644 R N 2.407 122.949 120.500 0.070 0.000 4.432 644 R HA -0.032 4.308 4.340 0.000 0.000 0.165 644 R C -0.646 175.690 176.300 0.060 0.000 1.929 644 R CA -0.323 55.814 56.100 0.062 0.000 1.469 644 R CB -1.365 28.958 30.300 0.039 0.000 1.368 644 R HN 0.374 nan 8.270 nan 0.000 0.811 645 N N 1.929 120.677 118.700 0.079 0.000 2.293 645 N HA -0.047 4.693 4.740 0.000 0.000 0.253 645 N C -0.161 175.391 175.510 0.071 0.000 1.248 645 N CA 1.087 54.190 53.050 0.089 0.000 0.845 645 N CB 0.785 39.358 38.487 0.142 0.000 1.073 645 N HN 0.544 nan 8.380 nan 0.000 0.464 646 T N -0.802 113.796 114.554 0.074 0.000 2.932 646 T HA 0.215 4.565 4.350 0.000 0.000 0.289 646 T C 1.371 176.142 174.700 0.119 0.000 1.039 646 T CA -0.832 61.318 62.100 0.083 0.000 1.024 646 T CB 0.743 69.632 68.868 0.036 0.000 1.090 646 T HN 0.556 nan 8.240 nan 0.000 0.496 647 Y N 0.744 121.086 120.300 0.070 0.000 2.173 647 Y HA -0.243 4.307 4.550 0.000 0.000 0.282 647 Y C 1.779 177.785 175.900 0.177 0.000 1.192 647 Y CA 1.841 60.018 58.100 0.128 0.000 1.176 647 Y CB -0.940 37.562 38.460 0.071 0.000 0.969 647 Y HN 0.746 nan 8.280 nan 0.000 0.519 648 E N 0.775 120.578 120.200 -0.662 0.000 2.033 648 E HA -0.119 4.231 4.350 0.000 0.000 0.189 648 E C 2.049 178.563 176.600 -0.143 0.000 0.979 648 E CA 1.053 57.162 56.400 -0.484 0.000 0.802 648 E CB -0.117 29.236 29.700 -0.578 0.000 0.763 648 E HN 0.314 nan 8.360 nan 0.000 0.449 649 K N 0.647 120.995 120.400 -0.087 0.000 2.211 649 K HA -0.191 4.129 4.320 0.000 0.000 0.204 649 K C 1.953 178.565 176.600 0.020 0.000 1.047 649 K CA 1.194 57.470 56.287 -0.018 0.000 0.935 649 K CB -0.529 31.976 32.500 0.009 0.000 0.728 649 K HN 0.315 nan 8.250 nan 0.000 0.452 650 Y N 0.855 121.126 120.300 -0.048 0.000 2.475 650 Y HA 0.054 4.604 4.550 0.000 0.000 0.289 650 Y C 1.711 177.564 175.900 -0.078 0.000 1.121 650 Y CA 0.708 58.780 58.100 -0.046 0.000 1.257 650 Y CB 0.197 38.648 38.460 -0.015 0.000 1.026 650 Y HN -0.116 nan 8.280 nan 0.000 0.555 651 L N -0.600 120.540 121.223 -0.138 0.000 2.408 651 L HA 0.378 4.718 4.340 0.000 0.000 0.215 651 L C 0.947 177.748 176.870 -0.116 0.000 1.081 651 L CA 0.378 55.093 54.840 -0.209 0.000 0.840 651 L CB -0.331 41.799 42.059 0.119 0.000 1.002 651 L HN 0.271 nan 8.230 nan 0.000 0.468 652 G N 0.486 109.256 108.800 -0.050 0.000 2.663 652 G HA2 -0.171 3.790 3.960 0.000 0.000 0.686 652 G HA3 -0.171 3.790 3.960 0.000 0.000 0.686 652 G C 0.035 174.961 174.900 0.044 0.000 1.246 652 G CA -0.343 44.749 45.100 -0.013 0.000 0.795 652 G HN 0.179 nan 8.290 nan 0.000 0.627 653 E N 0.250 120.470 120.200 0.034 0.000 2.072 653 E HA -0.122 4.229 4.350 0.000 0.000 0.191 653 E C 2.289 178.919 176.600 0.051 0.000 0.985 653 E CA 1.457 57.878 56.400 0.036 0.000 0.801 653 E CB -0.001 29.713 29.700 0.023 0.000 0.750 653 E HN 0.710 nan 8.360 nan 0.000 0.452 654 E N 0.841 121.080 120.200 0.065 0.000 2.023 654 E HA -0.251 4.099 4.350 0.000 0.000 0.196 654 E C 2.099 178.721 176.600 0.038 0.000 1.003 654 E CA 1.155 57.592 56.400 0.060 0.000 0.809 654 E CB -0.826 28.930 29.700 0.094 0.000 0.755 654 E HN 0.340 nan 8.360 nan 0.000 0.449 655 Y N 3.013 123.293 120.300 -0.033 0.000 2.053 655 Y HA -0.291 4.259 4.550 0.000 0.000 0.277 655 Y C 2.692 178.548 175.900 -0.073 0.000 1.159 655 Y CA 2.422 60.486 58.100 -0.060 0.000 1.125 655 Y CB -0.457 37.958 38.460 -0.076 0.000 0.969 655 Y HN -0.015 nan 8.280 nan 0.000 0.492 656 V N -0.463 119.511 119.914 0.099 0.000 2.380 656 V HA -0.314 3.807 4.120 0.000 0.000 0.251 656 V C 2.264 178.286 176.094 -0.120 0.000 1.063 656 V CA 2.458 64.788 62.300 0.050 0.000 1.055 656 V CB -1.031 30.918 31.823 0.209 0.000 0.657 656 V HN 0.470 nan 8.190 nan 0.000 0.455 657 K N 1.009 121.362 120.400 -0.079 0.000 2.025 657 K HA -0.084 4.236 4.320 0.000 0.000 0.207 657 K C 2.300 178.788 176.600 -0.185 0.000 1.049 657 K CA 1.597 57.832 56.287 -0.086 0.000 0.933 657 K CB -0.567 31.919 32.500 -0.023 0.000 0.714 657 K HN 0.554 nan 8.250 nan 0.000 0.438 658 A N 1.331 124.008 122.820 -0.238 0.000 1.849 658 A HA -0.187 4.133 4.320 0.000 0.000 0.217 658 A C 2.332 179.666 177.584 -0.416 0.000 1.202 658 A CA 2.510 54.364 52.037 -0.304 0.000 0.629 658 A CB -1.295 17.496 19.000 -0.349 0.000 0.834 658 A HN 0.328 nan 8.150 nan 0.000 0.447 659 V N -1.392 118.162 119.914 -0.599 0.000 2.287 659 V HA -0.123 3.997 4.120 0.000 0.000 0.248 659 V C 2.445 178.183 176.094 -0.593 0.000 1.053 659 V CA 2.356 64.272 62.300 -0.641 0.000 1.027 659 V CB -1.996 29.337 31.823 -0.818 0.000 0.646 659 V HN 0.520 nan 8.190 nan 0.000 0.447 660 G N 0.597 109.012 108.800 -0.642 0.000 2.476 660 G HA2 -0.307 3.653 3.960 0.000 0.000 0.218 660 G HA3 -0.307 3.653 3.960 0.000 0.000 0.218 660 G C 1.487 176.214 174.900 -0.289 0.000 1.164 660 G CA 1.190 46.056 45.100 -0.391 0.000 0.768 660 G HN 0.576 nan 8.290 nan 0.000 0.560 661 N N 0.265 118.771 118.700 -0.324 0.000 2.084 661 N HA -0.084 4.656 4.740 0.000 0.000 0.190 661 N C 2.082 177.244 175.510 -0.581 0.000 1.030 661 N CA 0.950 53.704 53.050 -0.493 0.000 0.849 661 N CB -0.520 37.720 38.487 -0.411 0.000 1.012 661 N HN 0.212 nan 8.380 nan 0.000 0.423 662 L N 2.056 123.044 121.223 -0.392 0.000 2.187 662 L HA -0.071 4.269 4.340 0.000 0.000 0.213 662 L C 1.817 178.572 176.870 -0.191 0.000 1.100 662 L CA 1.437 56.112 54.840 -0.276 0.000 0.765 662 L CB -0.396 41.490 42.059 -0.289 0.000 0.904 662 L HN 0.003 nan 8.230 nan 0.000 0.437 663 R N -0.120 120.254 120.500 -0.209 0.000 2.339 663 R HA -0.057 4.283 4.340 0.000 0.000 0.199 663 R C 1.789 178.046 176.300 -0.071 0.000 1.018 663 R CA 0.461 56.494 56.100 -0.110 0.000 1.036 663 R CB -0.286 29.973 30.300 -0.069 0.000 0.899 663 R HN 0.505 nan 8.270 nan 0.000 0.473 664 K N -1.098 119.224 120.400 -0.131 0.000 2.296 664 K HA 0.012 4.332 4.320 0.000 0.000 0.200 664 K C 1.750 178.368 176.600 0.029 0.000 1.048 664 K CA 0.721 56.967 56.287 -0.070 0.000 0.966 664 K CB 0.240 32.643 32.500 -0.161 0.000 0.754 664 K HN 0.090 nan 8.250 nan 0.000 0.466 665 c N -0.201 118.442 118.600 0.071 0.000 2.535 665 c HA 0.151 4.721 4.570 0.000 0.000 0.310 665 c C 0.932 175.096 174.090 0.123 0.000 1.344 665 c CA -0.233 56.197 56.329 0.169 0.000 1.831 665 c CB 0.243 42.987 42.510 0.390 0.000 2.284 665 c HN 0.121 nan 8.230 nan 0.000 0.523 666 S N 1.649 117.395 115.700 0.077 0.000 2.567 666 S HA 0.270 4.740 4.470 0.000 0.000 0.262 666 S C 0.026 174.638 174.600 0.020 0.000 1.237 666 S CA 0.014 58.240 58.200 0.045 0.000 1.093 666 S CB 0.410 63.622 63.200 0.019 0.000 1.095 666 S HN 0.496 nan 8.310 nan 0.000 0.489 667 T N 3.194 117.766 114.554 0.031 0.000 2.813 667 T HA 0.396 4.746 4.350 0.000 0.000 0.297 667 T C 0.444 175.160 174.700 0.026 0.000 1.036 667 T CA -0.306 61.810 62.100 0.027 0.000 1.044 667 T CB 0.656 69.543 68.868 0.031 0.000 0.993 667 T HN 0.599 nan 8.240 nan 0.000 0.535 668 S N 0.085 115.803 115.700 0.030 0.000 2.572 668 S HA 0.363 4.834 4.470 0.000 0.000 0.274 668 S C 0.939 175.561 174.600 0.036 0.000 1.150 668 S CA -0.836 57.388 58.200 0.040 0.000 0.944 668 S CB 1.782 65.014 63.200 0.053 0.000 1.071 668 S HN 0.441 nan 8.310 nan 0.000 0.479 669 S N 2.820 118.538 115.700 0.030 0.000 2.365 669 S HA -0.132 4.338 4.470 0.000 0.000 0.225 669 S C 1.764 176.374 174.600 0.015 0.000 1.039 669 S CA 1.303 59.511 58.200 0.014 0.000 1.033 669 S CB -0.672 62.531 63.200 0.006 0.000 0.887 669 S HN 0.701 nan 8.310 nan 0.000 0.447 670 L N 1.595 122.835 121.223 0.029 0.000 1.989 670 L HA -0.090 4.250 4.340 0.000 0.000 0.211 670 L C 2.443 179.325 176.870 0.020 0.000 1.071 670 L CA 1.587 56.441 54.840 0.024 0.000 0.749 670 L CB -0.631 41.451 42.059 0.038 0.000 0.890 670 L HN 0.361 nan 8.230 nan 0.000 0.431 671 L N 0.754 121.994 121.223 0.029 0.000 2.043 671 L HA -0.258 4.082 4.340 0.000 0.000 0.212 671 L C 2.550 179.434 176.870 0.024 0.000 1.075 671 L CA 2.581 57.429 54.840 0.014 0.000 0.752 671 L CB -0.782 41.302 42.059 0.041 0.000 0.891 671 L HN 0.536 nan 8.230 nan 0.000 0.432 672 E N -0.221 120.002 120.200 0.038 0.000 2.107 672 E HA -0.137 4.213 4.350 0.000 0.000 0.191 672 E C 2.088 178.741 176.600 0.089 0.000 0.982 672 E CA 1.012 57.447 56.400 0.059 0.000 0.809 672 E CB -0.366 29.363 29.700 0.047 0.000 0.756 672 E HN 0.490 nan 8.360 nan 0.000 0.459 673 A N 1.502 124.354 122.820 0.053 0.000 1.877 673 A HA -0.163 4.158 4.320 0.000 0.000 0.216 673 A C 2.456 180.110 177.584 0.116 0.000 1.186 673 A CA 1.466 53.542 52.037 0.066 0.000 0.620 673 A CB -1.006 18.005 19.000 0.017 0.000 0.822 673 A HN 0.511 nan 8.150 nan 0.000 0.443 674 c N -1.209 117.423 118.600 0.053 0.000 2.440 674 c HA -0.046 4.525 4.570 0.000 0.000 0.278 674 c C 2.982 177.088 174.090 0.026 0.000 1.295 674 c CA 1.360 57.701 56.329 0.020 0.000 1.738 674 c CB -1.556 40.929 42.510 -0.041 0.000 1.987 674 c HN 0.635 nan 8.230 nan 0.000 0.492 675 T N 0.852 115.433 114.554 0.045 0.000 2.746 675 T HA -0.168 4.182 4.350 0.000 0.000 0.267 675 T C 1.479 176.235 174.700 0.093 0.000 1.039 675 T CA 1.418 63.544 62.100 0.043 0.000 1.142 675 T CB -0.453 68.447 68.868 0.052 0.000 0.866 675 T HN 0.549 nan 8.240 nan 0.000 0.444 676 F N 2.059 122.022 119.950 0.021 0.000 2.236 676 F HA -0.112 4.416 4.527 0.000 0.000 0.302 676 F C 2.230 178.082 175.800 0.086 0.000 1.073 676 F CA 1.256 59.304 58.000 0.079 0.000 1.336 676 F CB -0.039 39.038 39.000 0.128 0.000 1.040 676 F HN -0.010 nan 8.300 nan 0.000 0.507 677 R N -0.667 119.923 120.500 0.149 0.000 2.210 677 R HA 0.135 4.475 4.340 0.000 0.000 0.203 677 R C 0.381 176.506 176.300 -0.293 0.000 1.010 677 R CA 0.272 56.223 56.100 -0.248 0.000 1.008 677 R CB 0.215 30.355 30.300 -0.268 0.000 0.923 677 R HN 0.066 nan 8.270 nan 0.000 0.469 678 R N 1.304 121.733 120.500 -0.119 0.000 2.912 678 R HA 0.196 4.536 4.340 0.000 0.000 0.278 678 R C -2.846 173.428 176.300 -0.043 0.000 1.533 678 R CA -1.327 54.727 56.100 -0.076 0.000 1.061 678 R CB 1.366 31.634 30.300 -0.054 0.000 1.313 678 R HN -0.089 nan 8.270 nan 0.000 0.443 679 P HA 0.000 nan 4.420 nan 0.000 0.216 679 P CA 0.000 63.087 63.100 -0.022 0.000 0.800 679 P CB 0.000 31.677 31.700 -0.038 0.000 0.726