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 1qgd_1_B DATA FIRST_RESID 2 DATA SEQUENCE SSRKELANAI RALSMDAVQK AKSGHPGAPM GMADIAEVLW RDFLKHNPQN DATA SEQUENCE PSWADRDRFV LSNGHGSMLI YSLLHLTGYD LPMEELKNFR QLHSKTPGHP DATA SEQUENCE EVGKTAGVET TTGPLGQGIA NAVGMAIAEK TLAAQFNRPG HDIVDHYTYA DATA SEQUENCE FMGDGCMMEG ISHEVCSLAG TLKLGKLIAF YDDNGISIDG HVEGWFTDDT DATA SEQUENCE AMRFEAYGWH VIRDIDGHDA ASIKRAVEEA RAVTDKPSLL MCKTIIGFGS DATA SEQUENCE PNKAGTHDSH GAPLGDAEIA LTREQLGWKY APFEIPSEIY AQWDAKEAGQ DATA SEQUENCE AKESAWNEKF AAYAKAYPQE AAEFTRRMKG EMPSDFDAKA KEFIAKLQAN DATA SEQUENCE PAKIASRKAS QNAIEAFGPL LPEFLGGSAD LAPSNLTLWS GSKAINEDAA DATA SEQUENCE GNYIHYGVRE FGMTAIANGI SLHGGFLPYT STFLMFVEYA RNAVRMAALM DATA SEQUENCE KQRQVMVYTH DSIGLGEDGP THQPVEQVAS LRVTPNMSTW RPCDQVESAV DATA SEQUENCE AWKYGVERQD GPTALILSRQ NLAQQERTEE QLANIARGGY VLKDCAGQPE DATA SEQUENCE LIFIATGSEV ELAVAAYEKL TAEGVKARVV SMPSTDAFDK QDAAYRESVL DATA SEQUENCE PKAVTARVAV EAGIADYWYK YVGLNGAIVG MTTFGESAPA ELLFEEFGFT DATA SEQUENCE VDNVVAKAKE LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.607 174.600 0.011 0.000 1.055 2 S CA 0.000 58.215 58.200 0.024 0.000 1.107 2 S CB 0.000 63.229 63.200 0.049 0.000 0.593 3 S N 0.833 116.551 115.700 0.030 0.000 2.624 3 S HA 0.401 4.872 4.470 0.002 0.000 0.263 3 S C 1.030 175.636 174.600 0.009 0.000 1.287 3 S CA -0.744 57.467 58.200 0.019 0.000 0.990 3 S CB 0.492 63.714 63.200 0.036 0.000 0.950 3 S HN 0.721 nan 8.310 nan 0.000 0.561 4 R N 0.740 121.234 120.500 -0.011 0.000 2.096 4 R HA -0.085 4.256 4.340 0.002 0.000 0.235 4 R C 1.922 178.230 176.300 0.013 0.000 1.127 4 R CA 1.523 57.603 56.100 -0.033 0.000 0.968 4 R CB -0.441 29.839 30.300 -0.034 0.000 0.861 4 R HN 0.609 nan 8.270 nan 0.000 0.440 5 K N 0.808 121.232 120.400 0.041 0.000 2.057 5 K HA -0.181 4.140 4.320 0.002 0.000 0.207 5 K C 1.921 178.595 176.600 0.123 0.000 1.049 5 K CA 1.478 57.807 56.287 0.069 0.000 0.931 5 K CB -0.148 32.401 32.500 0.082 0.000 0.714 5 K HN 0.254 nan 8.250 nan 0.000 0.440 6 E N 0.946 121.235 120.200 0.149 0.000 2.077 6 E HA -0.159 4.192 4.350 0.002 0.000 0.193 6 E C 1.724 178.502 176.600 0.296 0.000 0.989 6 E CA 0.990 57.543 56.400 0.255 0.000 0.800 6 E CB -0.091 29.738 29.700 0.215 0.000 0.746 6 E HN 0.205 nan 8.360 nan 0.000 0.452 7 L N 0.387 121.721 121.223 0.186 0.000 2.083 7 L HA -0.135 4.206 4.340 0.002 0.000 0.209 7 L C 2.676 179.780 176.870 0.389 0.000 1.083 7 L CA 1.101 56.091 54.840 0.250 0.000 0.752 7 L CB -0.508 41.473 42.059 -0.130 0.000 0.899 7 L HN 0.237 nan 8.230 nan 0.000 0.433 8 A N -0.043 122.902 122.820 0.208 0.000 2.015 8 A HA -0.150 4.171 4.320 0.002 0.000 0.219 8 A C 1.975 179.588 177.584 0.049 0.000 1.163 8 A CA 1.373 53.514 52.037 0.172 0.000 0.646 8 A CB -0.463 18.579 19.000 0.070 0.000 0.806 8 A HN 0.404 nan 8.150 nan 0.000 0.448 9 N N 0.611 119.331 118.700 0.033 0.000 2.381 9 N HA -0.053 4.688 4.740 0.002 0.000 0.182 9 N C 1.694 176.860 175.510 -0.573 0.000 1.025 9 N CA 1.173 54.135 53.050 -0.146 0.000 0.888 9 N CB -0.409 38.102 38.487 0.039 0.000 0.965 9 N HN 0.491 nan 8.380 nan 0.000 0.438 10 A N 0.786 123.352 122.820 -0.424 0.000 1.969 10 A HA -0.040 4.281 4.320 0.002 0.000 0.218 10 A C 2.243 179.536 177.584 -0.486 0.000 1.169 10 A CA 0.730 52.399 52.037 -0.612 0.000 0.635 10 A CB -0.486 18.455 19.000 -0.098 0.000 0.810 10 A HN 0.208 nan 8.150 nan 0.000 0.445 11 I N -0.781 119.590 120.570 -0.332 0.000 2.252 11 I HA -0.261 3.910 4.170 0.002 0.000 0.245 11 I C 2.737 178.671 176.117 -0.305 0.000 1.102 11 I CA 1.224 62.331 61.300 -0.321 0.000 1.385 11 I CB -0.293 37.562 38.000 -0.241 0.000 1.064 11 I HN 0.286 nan 8.210 nan 0.000 0.414 12 R N 0.760 121.082 120.500 -0.297 0.000 2.081 12 R HA -0.120 4.221 4.340 0.002 0.000 0.235 12 R C 2.471 178.558 176.300 -0.355 0.000 1.131 12 R CA 1.506 57.449 56.100 -0.261 0.000 0.960 12 R CB -0.549 29.642 30.300 -0.181 0.000 0.856 12 R HN 0.355 nan 8.270 nan 0.000 0.436 13 A N 1.419 123.889 122.820 -0.583 0.000 1.877 13 A HA -0.118 4.203 4.320 0.002 0.000 0.216 13 A C 2.224 179.557 177.584 -0.418 0.000 1.186 13 A CA 1.161 52.830 52.037 -0.613 0.000 0.620 13 A CB -0.556 17.730 19.000 -1.190 0.000 0.822 13 A HN 0.162 nan 8.150 nan 0.000 0.443 14 L N -0.498 120.497 121.223 -0.381 0.000 2.093 14 L HA -0.148 4.193 4.340 0.002 0.000 0.208 14 L C 2.860 179.579 176.870 -0.252 0.000 1.085 14 L CA 1.370 56.041 54.840 -0.283 0.000 0.755 14 L CB -0.426 41.506 42.059 -0.211 0.000 0.904 14 L HN 0.325 nan 8.230 nan 0.000 0.435 15 S N 0.390 115.936 115.700 -0.256 0.000 2.355 15 S HA -0.194 4.277 4.470 0.002 0.000 0.222 15 S C 1.974 176.459 174.600 -0.192 0.000 1.031 15 S CA 1.898 59.959 58.200 -0.233 0.000 0.993 15 S CB -0.258 62.819 63.200 -0.205 0.000 0.859 15 S HN 0.504 nan 8.310 nan 0.000 0.453 16 M N 1.108 120.600 119.600 -0.179 0.000 2.229 16 M HA -0.051 4.430 4.480 0.002 0.000 0.264 16 M C 0.847 177.069 176.300 -0.130 0.000 1.063 16 M CA 1.651 56.873 55.300 -0.129 0.000 1.114 16 M CB -0.618 31.913 32.600 -0.116 0.000 1.387 16 M HN -0.049 nan 8.290 nan 0.000 0.420 17 D N 1.416 121.685 120.400 -0.217 0.000 2.183 17 D HA 0.061 4.703 4.640 0.002 0.000 0.203 17 D C 2.294 178.544 176.300 -0.082 0.000 0.969 17 D CA 1.666 55.502 54.000 -0.275 0.000 0.842 17 D CB -0.102 40.297 40.800 -0.669 0.000 0.957 17 D HN 0.552 nan 8.370 nan 0.000 0.484 18 A N 0.548 123.359 122.820 -0.015 0.000 1.929 18 A HA -0.070 4.251 4.320 0.002 0.000 0.216 18 A C 2.442 180.145 177.584 0.197 0.000 1.176 18 A CA 0.742 52.901 52.037 0.203 0.000 0.628 18 A CB -0.532 18.486 19.000 0.032 0.000 0.816 18 A HN 0.117 nan 8.150 nan 0.000 0.444 19 V N -0.198 119.766 119.914 0.083 0.000 2.343 19 V HA -0.267 3.854 4.120 0.002 0.000 0.247 19 V C 2.732 178.911 176.094 0.141 0.000 1.051 19 V CA 2.321 64.734 62.300 0.189 0.000 1.036 19 V CB -0.669 31.207 31.823 0.089 0.000 0.654 19 V HN 0.662 nan 8.190 nan 0.000 0.451 20 Q N 0.670 120.519 119.800 0.080 0.000 2.050 20 Q HA -0.222 4.119 4.340 0.002 0.000 0.202 20 Q C 2.222 178.282 176.000 0.100 0.000 0.980 20 Q CA 2.126 57.967 55.803 0.063 0.000 0.840 20 Q CB -0.400 28.353 28.738 0.025 0.000 0.898 20 Q HN 0.616 nan 8.270 nan 0.000 0.424 21 K N -1.024 119.473 120.400 0.160 0.000 2.097 21 K HA -0.066 4.255 4.320 0.002 0.000 0.206 21 K C 1.676 178.351 176.600 0.126 0.000 1.049 21 K CA 1.246 57.635 56.287 0.170 0.000 0.933 21 K CB -0.243 32.420 32.500 0.272 0.000 0.717 21 K HN 0.239 nan 8.250 nan 0.000 0.442 22 A N 0.753 123.668 122.820 0.157 0.000 2.119 22 A HA 0.007 4.328 4.320 0.002 0.000 0.216 22 A C 0.370 177.982 177.584 0.046 0.000 1.152 22 A CA 0.839 52.934 52.037 0.097 0.000 0.708 22 A CB -0.167 18.915 19.000 0.137 0.000 0.805 22 A HN 0.424 nan 8.150 nan 0.000 0.460 23 K N -0.723 119.713 120.400 0.059 0.000 3.071 23 K HA -0.153 4.169 4.320 0.002 0.000 0.265 23 K C -0.171 176.432 176.600 0.005 0.000 1.060 23 K CA 0.827 57.130 56.287 0.028 0.000 0.767 23 K CB -1.854 30.654 32.500 0.013 0.000 1.241 23 K HN 0.490 nan 8.250 nan 0.000 0.486 24 S N -1.474 114.236 115.700 0.017 0.000 2.543 24 S HA 0.720 5.191 4.470 0.002 0.000 0.274 24 S C -0.606 174.003 174.600 0.015 0.000 1.149 24 S CA 0.306 58.487 58.200 -0.032 0.000 0.866 24 S CB 2.114 65.267 63.200 -0.079 0.000 1.111 24 S HN 0.954 nan 8.310 nan 0.000 0.457 25 G N 2.573 111.325 108.800 -0.079 0.000 2.371 25 G HA2 0.205 4.166 3.960 0.002 0.000 0.663 25 G HA3 0.205 4.166 3.960 0.002 0.000 0.663 25 G C -2.038 172.746 174.900 -0.195 0.000 1.311 25 G CA -0.819 44.313 45.100 0.053 0.000 0.985 25 G HN 1.006 nan 8.290 nan 0.000 0.566 26 H N 1.026 120.143 119.070 0.078 0.000 2.792 26 H HA 0.514 5.071 4.556 0.002 0.000 0.298 26 H C -1.626 173.686 175.328 -0.026 0.000 1.042 26 H CA -1.339 54.691 56.048 -0.030 0.000 1.300 26 H CB 2.012 31.745 29.762 -0.049 0.000 1.431 26 H HN 0.342 nan 8.280 nan 0.000 0.496 27 P HA -0.012 nan 4.420 nan 0.000 0.226 27 P C 1.678 178.991 177.300 0.022 0.000 1.161 27 P CA 0.751 63.855 63.100 0.006 0.000 0.804 27 P CB 0.424 32.115 31.700 -0.015 0.000 0.829 28 G N 1.399 110.231 108.800 0.053 0.000 2.545 28 G HA2 -0.303 3.658 3.960 0.002 0.000 0.217 28 G HA3 -0.303 3.658 3.960 0.002 0.000 0.217 28 G C 1.808 176.766 174.900 0.096 0.000 1.218 28 G CA 1.511 46.662 45.100 0.086 0.000 0.787 28 G HN 0.341 nan 8.290 nan 0.000 0.571 29 A N 1.417 124.303 122.820 0.111 0.000 1.902 29 A HA 0.092 4.413 4.320 0.002 0.000 0.217 29 A C 0.810 178.405 177.584 0.018 0.000 1.181 29 A CA 2.025 54.108 52.037 0.075 0.000 0.623 29 A CB -1.125 17.907 19.000 0.054 0.000 0.818 29 A HN 0.397 nan 8.150 nan 0.000 0.443 30 P HA -0.121 nan 4.420 nan 0.000 0.217 30 P C 1.603 178.882 177.300 -0.035 0.000 1.150 30 P CA 1.301 64.370 63.100 -0.052 0.000 0.832 30 P CB -0.150 31.491 31.700 -0.099 0.000 0.787 31 M N -1.744 117.854 119.600 -0.004 0.000 2.254 31 M HA 0.009 4.490 4.480 0.002 0.000 0.265 31 M C 2.169 178.525 176.300 0.094 0.000 1.066 31 M CA 1.880 57.199 55.300 0.032 0.000 1.123 31 M CB -1.022 31.608 32.600 0.051 0.000 1.388 31 M HN -0.030 nan 8.290 nan 0.000 0.425 32 G N -0.224 108.639 108.800 0.106 0.000 2.464 32 G HA2 -0.057 3.904 3.960 0.002 0.000 0.217 32 G HA3 -0.057 3.904 3.960 0.002 0.000 0.217 32 G C 1.408 176.340 174.900 0.053 0.000 1.138 32 G CA 0.214 45.413 45.100 0.164 0.000 0.793 32 G HN 0.359 nan 8.290 nan 0.000 0.539 33 M N 0.710 120.296 119.600 -0.023 0.000 2.383 33 M HA 0.312 4.793 4.480 0.002 0.000 0.247 33 M C 2.489 178.747 176.300 -0.070 0.000 1.117 33 M CA 0.046 55.281 55.300 -0.109 0.000 0.995 33 M CB 0.762 33.289 32.600 -0.123 0.000 1.480 33 M HN 0.252 nan 8.290 nan 0.000 0.485 34 A N 1.118 123.911 122.820 -0.045 0.000 1.972 34 A HA -0.171 4.150 4.320 0.002 0.000 0.219 34 A C 1.687 179.261 177.584 -0.016 0.000 1.169 34 A CA 1.691 53.706 52.037 -0.035 0.000 0.635 34 A CB -0.389 18.581 19.000 -0.051 0.000 0.810 34 A HN 0.416 nan 8.150 nan 0.000 0.446 35 D N 0.015 120.382 120.400 -0.056 0.000 2.144 35 D HA -0.093 4.548 4.640 0.002 0.000 0.200 35 D C 1.878 178.158 176.300 -0.034 0.000 0.978 35 D CA 1.192 55.164 54.000 -0.047 0.000 0.833 35 D CB -0.287 40.466 40.800 -0.079 0.000 0.961 35 D HN 0.537 nan 8.370 nan 0.000 0.470 36 I N 1.616 122.134 120.570 -0.087 0.000 2.226 36 I HA -0.230 3.941 4.170 0.002 0.000 0.245 36 I C 2.604 178.728 176.117 0.012 0.000 1.100 36 I CA 1.006 62.249 61.300 -0.095 0.000 1.374 36 I CB -0.189 37.637 38.000 -0.289 0.000 1.057 36 I HN -0.088 nan 8.210 nan 0.000 0.413 37 A N -0.042 122.834 122.820 0.093 0.000 1.969 37 A HA -0.209 4.112 4.320 0.002 0.000 0.218 37 A C 2.349 180.040 177.584 0.178 0.000 1.169 37 A CA 1.423 53.563 52.037 0.172 0.000 0.635 37 A CB -0.468 18.558 19.000 0.043 0.000 0.810 37 A HN 0.414 nan 8.150 nan 0.000 0.445 38 E N 0.389 120.686 120.200 0.163 0.000 2.077 38 E HA -0.123 4.228 4.350 0.002 0.000 0.193 38 E C 2.010 178.639 176.600 0.050 0.000 0.989 38 E CA 1.592 58.078 56.400 0.144 0.000 0.800 38 E CB -0.203 29.540 29.700 0.072 0.000 0.746 38 E HN 0.320 nan 8.360 nan 0.000 0.452 39 V N 1.544 121.505 119.914 0.079 0.000 2.307 39 V HA -0.241 3.880 4.120 0.002 0.000 0.245 39 V C 2.655 178.879 176.094 0.216 0.000 1.045 39 V CA 1.570 63.941 62.300 0.118 0.000 1.024 39 V CB -0.610 31.309 31.823 0.161 0.000 0.651 39 V HN 0.246 nan 8.190 nan 0.000 0.449 40 L N -0.697 120.646 121.223 0.199 0.000 1.989 40 L HA -0.151 4.190 4.340 0.002 0.000 0.211 40 L C 2.076 179.016 176.870 0.117 0.000 1.071 40 L CA 2.230 57.157 54.840 0.146 0.000 0.749 40 L CB -0.797 41.230 42.059 -0.053 0.000 0.890 40 L HN 0.391 nan 8.230 nan 0.000 0.431 41 W N 0.182 121.431 121.300 -0.086 0.000 2.381 41 W HA -0.047 4.614 4.660 0.002 0.000 0.301 41 W C 2.834 179.369 176.519 0.027 0.000 1.205 41 W CA 1.413 58.721 57.345 -0.060 0.000 1.285 41 W CB -0.314 29.147 29.460 0.001 0.000 1.133 41 W HN 0.068 nan 8.180 nan 0.000 0.521 42 R N -0.670 119.925 120.500 0.159 0.000 2.127 42 R HA -0.054 4.287 4.340 0.002 0.000 0.217 42 R C 1.072 177.333 176.300 -0.065 0.000 1.074 42 R CA 1.380 57.478 56.100 -0.004 0.000 0.991 42 R CB -0.265 29.891 30.300 -0.239 0.000 0.895 42 R HN 0.063 nan 8.270 nan 0.000 0.450 43 D N -1.274 119.052 120.400 -0.124 0.000 2.388 43 D HA 0.061 4.702 4.640 0.002 0.000 0.208 43 D C 0.838 176.804 176.300 -0.557 0.000 1.035 43 D CA 0.765 54.527 54.000 -0.396 0.000 0.875 43 D CB 0.380 40.807 40.800 -0.623 0.000 0.984 43 D HN 0.068 nan 8.370 nan 0.000 0.508 44 F N -0.243 119.684 119.950 -0.038 0.000 2.640 44 F HA 0.266 4.794 4.527 0.002 0.000 0.285 44 F C 0.550 176.326 175.800 -0.040 0.000 1.031 44 F CA -0.575 57.397 58.000 -0.047 0.000 1.240 44 F CB 0.111 39.049 39.000 -0.103 0.000 1.011 44 F HN -0.206 nan 8.300 nan 0.000 0.656 45 L N 2.474 123.713 121.223 0.027 0.000 2.513 45 L HA 0.044 4.386 4.340 0.002 0.000 0.272 45 L C 0.431 177.379 176.870 0.130 0.000 1.187 45 L CA 0.316 55.110 54.840 -0.076 0.000 0.895 45 L CB 0.155 41.836 42.059 -0.629 0.000 1.147 45 L HN 0.013 nan 8.230 nan 0.000 0.483 46 K N 5.137 125.651 120.400 0.189 0.000 2.268 46 K HA 0.380 4.701 4.320 0.002 0.000 0.276 46 K C -1.094 175.696 176.600 0.316 0.000 1.080 46 K CA -0.351 56.093 56.287 0.262 0.000 0.910 46 K CB 0.133 32.760 32.500 0.211 0.000 1.163 46 K HN 0.947 nan 8.250 nan 0.000 0.465 47 H N -0.032 119.164 119.070 0.209 0.000 2.981 47 H HA 0.416 4.973 4.556 0.002 0.000 0.327 47 H C -1.573 173.917 175.328 0.269 0.000 1.342 47 H CA -1.328 54.872 56.048 0.254 0.000 1.123 47 H CB 1.149 30.963 29.762 0.087 0.000 1.851 47 H HN 0.286 nan 8.280 nan 0.000 0.531 48 N N 1.067 119.834 118.700 0.111 0.000 2.540 48 N HA 0.290 5.031 4.740 0.002 0.000 0.275 48 N C -2.336 173.001 175.510 -0.288 0.000 1.053 48 N CA -2.716 50.225 53.050 -0.182 0.000 0.876 48 N CB 1.987 40.366 38.487 -0.180 0.000 1.284 48 N HN 0.379 nan 8.380 nan 0.000 0.518 49 P HA -0.101 nan 4.420 nan 0.000 0.219 49 P C 0.543 177.492 177.300 -0.585 0.000 1.146 49 P CA 1.294 63.737 63.100 -1.096 0.000 0.808 49 P CB 0.382 31.603 31.700 -0.798 0.000 0.779 50 Q N -1.928 117.682 119.800 -0.317 0.000 2.403 50 Q HA 0.036 4.377 4.340 0.002 0.000 0.203 50 Q C 0.254 176.186 176.000 -0.113 0.000 0.932 50 Q CA 0.321 56.017 55.803 -0.179 0.000 0.945 50 Q CB -0.133 28.517 28.738 -0.146 0.000 1.045 50 Q HN 0.134 nan 8.270 nan 0.000 0.511 51 N N 0.125 118.768 118.700 -0.095 0.000 2.710 51 N HA 0.139 4.880 4.740 0.002 0.000 0.244 51 N C -2.483 173.077 175.510 0.082 0.000 1.321 51 N CA -1.710 51.333 53.050 -0.011 0.000 0.758 51 N CB 1.205 39.672 38.487 -0.032 0.000 1.284 51 N HN -0.214 nan 8.380 nan 0.000 0.530 52 P HA 0.058 nan 4.420 nan 0.000 0.234 52 P C 0.412 177.783 177.300 0.118 0.000 1.167 52 P CA 0.719 63.947 63.100 0.213 0.000 0.763 52 P CB 0.410 32.286 31.700 0.293 0.000 0.835 53 S N -2.079 113.667 115.700 0.075 0.000 2.556 53 S HA 0.055 4.526 4.470 0.002 0.000 0.216 53 S C 0.124 174.733 174.600 0.016 0.000 0.970 53 S CA -0.682 57.526 58.200 0.015 0.000 0.912 53 S CB -0.538 62.664 63.200 0.003 0.000 0.790 53 S HN 0.259 nan 8.310 nan 0.000 0.504 54 W N 2.933 124.132 121.300 -0.169 0.000 2.385 54 W HA 0.217 4.878 4.660 0.002 0.000 0.336 54 W C 1.050 177.328 176.519 -0.401 0.000 1.351 54 W CA -0.652 56.526 57.345 -0.279 0.000 1.295 54 W CB 0.028 29.334 29.460 -0.258 0.000 1.239 54 W HN 0.155 nan 8.180 nan 0.000 0.565 55 A N 3.914 126.470 122.820 -0.440 0.000 1.972 55 A HA -0.212 4.109 4.320 0.002 0.000 0.219 55 A C 1.545 178.588 177.584 -0.902 0.000 1.169 55 A CA 1.954 53.649 52.037 -0.571 0.000 0.635 55 A CB -0.450 18.376 19.000 -0.290 0.000 0.810 55 A HN 0.643 nan 8.150 nan 0.000 0.446 56 D N -0.605 118.831 120.400 -1.607 0.000 2.358 56 D HA 0.063 4.704 4.640 0.002 0.000 0.224 56 D C 0.770 176.075 176.300 -1.658 0.000 1.123 56 D CA -0.335 52.833 54.000 -1.386 0.000 0.833 56 D CB -0.139 39.911 40.800 -1.250 0.000 0.946 56 D HN 0.580 nan 8.370 nan 0.000 0.505 57 R N 0.079 119.559 120.500 -1.701 0.000 2.734 57 R HA 0.139 4.480 4.340 0.002 0.000 0.266 57 R C -0.339 175.568 176.300 -0.656 0.000 1.044 57 R CA -0.340 55.105 56.100 -1.092 0.000 1.128 57 R CB 0.429 30.423 30.300 -0.511 0.000 1.010 57 R HN -0.126 nan 8.270 nan 0.000 0.461 58 D N 1.268 121.514 120.400 -0.255 0.000 2.382 58 D HA 0.085 4.726 4.640 0.002 0.000 0.240 58 D C -0.287 175.990 176.300 -0.038 0.000 1.146 58 D CA 0.189 54.184 54.000 -0.007 0.000 0.897 58 D CB 0.610 41.528 40.800 0.196 0.000 1.197 58 D HN 0.283 nan 8.370 nan 0.000 0.432 59 R N 0.737 121.271 120.500 0.056 0.000 2.338 59 R HA 0.399 4.740 4.340 0.002 0.000 0.317 59 R C -0.856 175.549 176.300 0.174 0.000 0.968 59 R CA -0.683 55.457 56.100 0.067 0.000 0.849 59 R CB 0.527 30.869 30.300 0.071 0.000 1.128 59 R HN 0.290 nan 8.270 nan 0.000 0.448 60 F N 3.194 123.151 119.950 0.011 0.000 2.443 60 F HA 0.655 5.183 4.527 0.002 0.000 0.335 60 F C -0.950 174.872 175.800 0.036 0.000 1.104 60 F CA -0.957 57.066 58.000 0.039 0.000 1.013 60 F CB 1.290 40.268 39.000 -0.037 0.000 1.136 60 F HN 0.186 nan 8.300 nan 0.000 0.470 61 V N 7.192 126.597 119.914 -0.850 0.000 2.531 61 V HA 0.314 4.435 4.120 0.002 0.000 0.301 61 V C -0.996 174.591 176.094 -0.846 0.000 1.034 61 V CA -0.817 61.130 62.300 -0.589 0.000 0.865 61 V CB 1.656 33.343 31.823 -0.226 0.000 0.995 61 V HN 0.689 nan 8.190 nan 0.000 0.424 62 L N 4.166 125.069 121.223 -0.533 0.000 2.328 62 L HA 0.395 4.736 4.340 0.002 0.000 0.280 62 L C 1.354 178.162 176.870 -0.103 0.000 1.111 62 L CA 0.872 55.543 54.840 -0.281 0.000 0.909 62 L CB 1.160 43.155 42.059 -0.107 0.000 1.277 62 L HN 0.715 nan 8.230 nan 0.000 0.433 63 S N 2.577 118.255 115.700 -0.036 0.000 2.428 63 S HA -0.029 4.442 4.470 0.002 0.000 0.230 63 S C 0.912 175.539 174.600 0.045 0.000 1.014 63 S CA 0.795 59.005 58.200 0.016 0.000 0.957 63 S CB -0.279 62.952 63.200 0.053 0.000 0.784 63 S HN 0.867 nan 8.310 nan 0.000 0.499 64 N N 1.406 120.129 118.700 0.038 0.000 3.188 64 N HA 0.235 4.977 4.740 0.002 0.000 0.279 64 N C 0.744 176.122 175.510 -0.221 0.000 1.213 64 N CA 0.143 53.180 53.050 -0.022 0.000 1.138 64 N CB -0.110 38.358 38.487 -0.032 0.000 1.417 64 N HN 0.214 nan 8.380 nan 0.000 0.526 65 G N 0.763 109.545 108.800 -0.030 0.000 2.509 65 G HA2 -0.290 3.671 3.960 0.002 0.000 0.218 65 G HA3 -0.290 3.671 3.960 0.002 0.000 0.218 65 G C 1.218 176.148 174.900 0.050 0.000 1.124 65 G CA 0.548 45.665 45.100 0.029 0.000 0.776 65 G HN 0.754 nan 8.290 nan 0.000 0.547 66 H N 0.202 119.304 119.070 0.054 0.000 2.457 66 H HA -0.025 4.532 4.556 0.002 0.000 0.297 66 H C 2.063 177.216 175.328 -0.291 0.000 1.092 66 H CA 0.887 56.746 56.048 -0.315 0.000 1.309 66 H CB -0.830 28.555 29.762 -0.627 0.000 1.382 66 H HN 0.195 nan 8.280 nan 0.000 0.535 67 G N 1.535 110.034 108.800 -0.502 0.000 3.397 67 G HA2 0.046 4.007 3.960 0.002 0.000 0.248 67 G HA3 0.046 4.007 3.960 0.002 0.000 0.248 67 G C 1.269 176.037 174.900 -0.221 0.000 1.284 67 G CA 0.278 45.221 45.100 -0.262 0.000 1.570 67 G HN 0.578 nan 8.290 nan 0.000 0.587 68 S N 0.244 115.816 115.700 -0.213 0.000 2.400 68 S HA -0.151 4.320 4.470 0.002 0.000 0.232 68 S C 2.213 176.484 174.600 -0.548 0.000 1.025 68 S CA 0.603 58.578 58.200 -0.374 0.000 0.993 68 S CB -0.185 62.889 63.200 -0.210 0.000 0.808 68 S HN 0.241 nan 8.310 nan 0.000 0.478 69 M N 0.841 120.227 119.600 -0.356 0.000 2.358 69 M HA 0.134 4.615 4.480 0.002 0.000 0.264 69 M C 1.994 178.105 176.300 -0.315 0.000 1.064 69 M CA 0.680 55.756 55.300 -0.372 0.000 1.093 69 M CB -1.331 31.007 32.600 -0.436 0.000 1.401 69 M HN 0.445 nan 8.290 nan 0.000 0.440 70 L N 0.336 121.385 121.223 -0.289 0.000 2.017 70 L HA -0.128 4.213 4.340 0.002 0.000 0.208 70 L C 2.190 178.837 176.870 -0.372 0.000 1.073 70 L CA 1.651 56.327 54.840 -0.274 0.000 0.745 70 L CB -0.630 41.331 42.059 -0.162 0.000 0.894 70 L HN 0.219 nan 8.230 nan 0.000 0.432 71 I N -1.846 118.492 120.570 -0.387 0.000 2.353 71 I HA -0.295 3.877 4.170 0.002 0.000 0.248 71 I C 2.047 177.959 176.117 -0.342 0.000 1.119 71 I CA 0.962 62.018 61.300 -0.407 0.000 1.417 71 I CB -0.096 37.754 38.000 -0.250 0.000 1.078 71 I HN 0.279 nan 8.210 nan 0.000 0.421 72 Y N 0.696 120.875 120.300 -0.202 0.000 2.224 72 Y HA -0.199 4.352 4.550 0.002 0.000 0.289 72 Y C 2.931 178.707 175.900 -0.206 0.000 1.146 72 Y CA 1.094 59.092 58.100 -0.170 0.000 1.182 72 Y CB -1.363 37.013 38.460 -0.140 0.000 0.983 72 Y HN 0.154 nan 8.280 nan 0.000 0.524 73 S N 0.122 115.734 115.700 -0.147 0.000 2.356 73 S HA -0.155 4.316 4.470 0.002 0.000 0.223 73 S C 2.188 176.555 174.600 -0.388 0.000 1.032 73 S CA 1.244 59.301 58.200 -0.239 0.000 1.005 73 S CB -0.654 62.344 63.200 -0.338 0.000 0.867 73 S HN 0.344 nan 8.310 nan 0.000 0.449 74 L N 1.060 121.936 121.223 -0.579 0.000 2.017 74 L HA -0.127 4.214 4.340 0.002 0.000 0.208 74 L C 2.272 178.842 176.870 -0.500 0.000 1.073 74 L CA 1.122 55.451 54.840 -0.851 0.000 0.745 74 L CB -0.647 40.475 42.059 -1.561 0.000 0.894 74 L HN 0.288 nan 8.230 nan 0.000 0.432 75 L N -1.127 119.895 121.223 -0.334 0.000 2.046 75 L HA -0.265 4.076 4.340 0.002 0.000 0.208 75 L C 2.691 179.653 176.870 0.154 0.000 1.077 75 L CA 1.377 56.168 54.840 -0.082 0.000 0.747 75 L CB -0.772 41.201 42.059 -0.143 0.000 0.896 75 L HN 0.326 nan 8.230 nan 0.000 0.432 76 H N 0.366 119.435 119.070 -0.002 0.000 2.293 76 H HA -0.140 4.417 4.556 0.002 0.000 0.300 76 H C 2.182 177.564 175.328 0.089 0.000 1.082 76 H CA 1.731 57.812 56.048 0.055 0.000 1.308 76 H CB -0.106 29.666 29.762 0.017 0.000 1.375 76 H HN 0.115 nan 8.280 nan 0.000 0.495 77 L N -0.083 121.049 121.223 -0.153 0.000 2.083 77 L HA -0.142 4.199 4.340 0.002 0.000 0.209 77 L C 2.514 179.413 176.870 0.049 0.000 1.083 77 L CA 1.803 56.520 54.840 -0.204 0.000 0.752 77 L CB -0.607 40.968 42.059 -0.807 0.000 0.899 77 L HN 0.543 nan 8.230 nan 0.000 0.433 78 T N -3.678 110.967 114.554 0.152 0.000 3.118 78 T HA 0.182 4.533 4.350 0.002 0.000 0.260 78 T C 1.339 176.186 174.700 0.244 0.000 1.139 78 T CA 0.538 62.862 62.100 0.373 0.000 1.085 78 T CB 0.358 69.628 68.868 0.669 0.000 0.934 78 T HN 0.503 nan 8.240 nan 0.000 0.518 79 G N -0.127 108.763 108.800 0.150 0.000 2.143 79 G HA2 -0.170 3.791 3.960 0.002 0.000 0.175 79 G HA3 -0.170 3.791 3.960 0.002 0.000 0.175 79 G C -0.155 174.757 174.900 0.021 0.000 1.004 79 G CA -0.413 44.700 45.100 0.023 0.000 0.671 79 G HN 0.533 nan 8.290 nan 0.000 0.512 80 Y N 0.503 120.846 120.300 0.072 0.000 2.279 80 Y HA 0.399 4.950 4.550 0.002 0.000 0.350 80 Y C 1.134 177.068 175.900 0.056 0.000 1.288 80 Y CA 0.283 58.435 58.100 0.088 0.000 1.547 80 Y CB 0.428 38.970 38.460 0.138 0.000 1.381 80 Y HN 0.078 nan 8.280 nan 0.000 0.630 81 D N 1.771 122.302 120.400 0.218 0.000 2.600 81 D HA 0.156 4.797 4.640 0.002 0.000 0.226 81 D C -1.511 174.876 176.300 0.144 0.000 1.119 81 D CA 0.203 54.282 54.000 0.132 0.000 1.051 81 D CB -0.916 39.942 40.800 0.095 0.000 1.106 81 D HN 0.308 nan 8.370 nan 0.000 0.491 82 L N 3.998 125.323 121.223 0.170 0.000 2.529 82 L HA 0.445 4.786 4.340 0.002 0.000 0.258 82 L C -2.615 174.390 176.870 0.224 0.000 1.032 82 L CA -1.715 53.215 54.840 0.149 0.000 0.899 82 L CB 1.671 43.820 42.059 0.150 0.000 1.174 82 L HN -0.025 nan 8.230 nan 0.000 0.458 83 P HA 0.144 nan 4.420 nan 0.000 0.272 83 P C 0.781 178.074 177.300 -0.012 0.000 1.240 83 P CA -0.470 62.708 63.100 0.130 0.000 0.791 83 P CB 0.717 32.448 31.700 0.052 0.000 0.978 84 M N 1.252 120.824 119.600 -0.047 0.000 2.202 84 M HA -0.198 4.283 4.480 0.002 0.000 0.262 84 M C 1.719 177.893 176.300 -0.209 0.000 1.063 84 M CA 1.908 57.064 55.300 -0.240 0.000 1.097 84 M CB -1.105 31.448 32.600 -0.077 0.000 1.382 84 M HN 0.322 nan 8.290 nan 0.000 0.413 85 E N 0.183 120.302 120.200 -0.135 0.000 2.118 85 E HA -0.189 4.162 4.350 0.002 0.000 0.195 85 E C 1.784 178.291 176.600 -0.154 0.000 0.992 85 E CA 1.503 57.814 56.400 -0.149 0.000 0.804 85 E CB -0.171 29.478 29.700 -0.086 0.000 0.741 85 E HN 0.543 nan 8.360 nan 0.000 0.458 86 E N -0.060 120.065 120.200 -0.125 0.000 2.106 86 E HA -0.115 4.237 4.350 0.002 0.000 0.192 86 E C 2.232 178.743 176.600 -0.149 0.000 0.984 86 E CA 0.604 56.931 56.400 -0.122 0.000 0.806 86 E CB -0.189 29.447 29.700 -0.107 0.000 0.750 86 E HN 0.385 nan 8.360 nan 0.000 0.458 87 L N 0.585 121.697 121.223 -0.186 0.000 2.141 87 L HA -0.140 4.201 4.340 0.002 0.000 0.209 87 L C 2.254 179.031 176.870 -0.155 0.000 1.094 87 L CA 1.119 55.870 54.840 -0.148 0.000 0.763 87 L CB -0.376 41.603 42.059 -0.133 0.000 0.908 87 L HN 0.045 nan 8.230 nan 0.000 0.437 88 K N -0.087 120.085 120.400 -0.381 0.000 2.439 88 K HA -0.052 4.269 4.320 0.002 0.000 0.197 88 K C 0.747 177.231 176.600 -0.194 0.000 1.041 88 K CA 0.503 56.470 56.287 -0.533 0.000 0.970 88 K CB 0.011 32.114 32.500 -0.661 0.000 0.773 88 K HN 0.245 nan 8.250 nan 0.000 0.479 89 N N 0.645 119.282 118.700 -0.105 0.000 2.380 89 N HA 0.018 4.759 4.740 0.002 0.000 0.255 89 N C -0.698 174.830 175.510 0.030 0.000 1.158 89 N CA -0.238 52.786 53.050 -0.043 0.000 0.878 89 N CB 0.087 38.537 38.487 -0.062 0.000 1.138 89 N HN 0.029 nan 8.380 nan 0.000 0.509 90 F N 2.207 122.105 119.950 -0.088 0.000 2.623 90 F HA -0.053 4.475 4.527 0.002 0.000 0.383 90 F C 1.306 177.093 175.800 -0.021 0.000 1.077 90 F CA 0.441 58.413 58.000 -0.048 0.000 1.268 90 F CB 0.267 39.277 39.000 0.018 0.000 1.053 90 F HN 0.220 nan 8.300 nan 0.000 0.571 91 R N 1.176 121.408 120.500 -0.447 0.000 3.951 91 R HA -0.205 4.136 4.340 0.002 0.000 0.352 91 R C -0.501 175.673 176.300 -0.210 0.000 1.178 91 R CA 0.856 56.691 56.100 -0.442 0.000 0.949 91 R CB -1.370 28.547 30.300 -0.637 0.000 1.452 91 R HN 0.625 nan 8.270 nan 0.000 0.540 92 Q N 0.439 120.159 119.800 -0.133 0.000 2.215 92 Q HA 0.308 4.649 4.340 0.002 0.000 0.256 92 Q C -0.015 175.918 176.000 -0.112 0.000 0.972 92 Q CA -1.187 54.553 55.803 -0.104 0.000 0.889 92 Q CB 0.884 29.579 28.738 -0.071 0.000 1.281 92 Q HN 0.107 nan 8.270 nan 0.000 0.456 93 L N 2.499 123.632 121.223 -0.150 0.000 2.628 93 L HA -0.094 4.247 4.340 0.002 0.000 0.274 93 L C 0.120 176.856 176.870 -0.224 0.000 1.209 93 L CA 1.258 55.929 54.840 -0.281 0.000 0.930 93 L CB -0.805 41.042 42.059 -0.353 0.000 1.183 93 L HN 0.718 nan 8.230 nan 0.000 0.492 94 H N 0.879 119.936 119.070 -0.022 0.000 2.958 94 H HA -0.196 4.361 4.556 0.002 0.000 0.274 94 H C 0.770 176.081 175.328 -0.027 0.000 1.184 94 H CA 0.515 56.552 56.048 -0.018 0.000 1.143 94 H CB -1.549 28.205 29.762 -0.014 0.000 1.297 94 H HN 0.815 nan 8.280 nan 0.000 0.356 95 S N 0.264 115.988 115.700 0.040 0.000 2.634 95 S HA 0.242 4.713 4.470 0.002 0.000 0.261 95 S C 1.095 175.686 174.600 -0.015 0.000 1.271 95 S CA -0.672 57.526 58.200 -0.002 0.000 0.985 95 S CB 1.622 64.797 63.200 -0.041 0.000 0.968 95 S HN 0.385 nan 8.310 nan 0.000 0.568 96 K N 0.498 120.864 120.400 -0.057 0.000 2.437 96 K HA 0.110 4.431 4.320 0.002 0.000 0.198 96 K C 0.013 176.486 176.600 -0.212 0.000 1.024 96 K CA 0.246 56.487 56.287 -0.076 0.000 1.148 96 K CB -0.022 32.441 32.500 -0.062 0.000 0.860 96 K HN 0.825 nan 8.250 nan 0.000 0.515 97 T N 0.005 114.411 114.554 -0.248 0.000 3.401 97 T HA 0.250 4.601 4.350 0.002 0.000 0.341 97 T C -2.609 172.065 174.700 -0.043 0.000 1.674 97 T CA -2.110 59.693 62.100 -0.497 0.000 1.600 97 T CB 0.820 69.396 68.868 -0.488 0.000 0.974 97 T HN -0.132 nan 8.240 nan 0.000 0.672 98 P HA 0.186 nan 4.420 nan 0.000 0.272 98 P C 1.393 178.785 177.300 0.154 0.000 1.240 98 P CA -0.079 63.072 63.100 0.084 0.000 0.791 98 P CB 0.562 32.332 31.700 0.115 0.000 0.978 99 G N 0.237 109.019 108.800 -0.030 0.000 2.450 99 G HA2 -0.157 3.804 3.960 0.002 0.000 0.220 99 G HA3 -0.157 3.804 3.960 0.002 0.000 0.220 99 G C 0.111 174.933 174.900 -0.129 0.000 1.130 99 G CA 1.026 46.045 45.100 -0.134 0.000 0.760 99 G HN 0.621 nan 8.290 nan 0.000 0.557 100 H N -0.648 118.513 119.070 0.152 0.000 2.690 100 H HA 0.459 5.016 4.556 0.002 0.000 0.368 100 H C -2.507 172.910 175.328 0.148 0.000 1.150 100 H CA -1.834 54.286 56.048 0.120 0.000 1.174 100 H CB 2.202 32.011 29.762 0.078 0.000 1.684 100 H HN -0.077 nan 8.280 nan 0.000 0.538 101 P HA 0.091 nan 4.420 nan 0.000 0.271 101 P C -0.902 176.502 177.300 0.172 0.000 1.216 101 P CA -0.142 63.068 63.100 0.184 0.000 0.771 101 P CB 0.760 32.483 31.700 0.038 0.000 0.864 102 E N 1.170 121.478 120.200 0.180 0.000 2.191 102 E HA 0.317 4.668 4.350 0.002 0.000 0.263 102 E C -0.628 176.038 176.600 0.110 0.000 0.881 102 E CA -1.145 55.333 56.400 0.131 0.000 0.757 102 E CB 2.200 31.973 29.700 0.123 0.000 1.147 102 E HN 0.153 nan 8.360 nan 0.000 0.414 103 V N 2.991 122.957 119.914 0.087 0.000 2.843 103 V HA 0.301 4.422 4.120 0.002 0.000 0.305 103 V C 1.208 177.343 176.094 0.068 0.000 1.065 103 V CA 1.925 64.270 62.300 0.074 0.000 1.116 103 V CB 0.597 32.455 31.823 0.059 0.000 0.968 103 V HN 1.016 nan 8.190 nan 0.000 0.487 104 G N 4.371 113.210 108.800 0.064 0.000 2.284 104 G HA2 -0.295 3.666 3.960 0.002 0.000 0.247 104 G HA3 -0.295 3.666 3.960 0.002 0.000 0.247 104 G C 1.150 176.085 174.900 0.058 0.000 1.012 104 G CA 0.685 45.818 45.100 0.055 0.000 0.618 104 G HN 0.753 nan 8.290 nan 0.000 0.521 105 K N 0.097 120.538 120.400 0.069 0.000 2.168 105 K HA 0.147 4.468 4.320 0.002 0.000 0.201 105 K C 0.229 176.870 176.600 0.068 0.000 1.049 105 K CA 1.381 57.707 56.287 0.066 0.000 0.974 105 K CB 0.202 32.747 32.500 0.076 0.000 0.792 105 K HN 0.380 nan 8.250 nan 0.000 0.463 106 T N 1.052 115.659 114.554 0.088 0.000 2.807 106 T HA 0.435 4.786 4.350 0.002 0.000 0.279 106 T C -0.875 173.888 174.700 0.104 0.000 0.993 106 T CA -0.606 61.550 62.100 0.093 0.000 0.970 106 T CB 1.678 70.627 68.868 0.136 0.000 0.950 106 T HN 0.205 nan 8.240 nan 0.000 0.441 107 A N 1.849 124.739 122.820 0.116 0.000 2.520 107 A HA 0.531 4.853 4.320 0.002 0.000 0.245 107 A C 1.567 179.232 177.584 0.134 0.000 1.072 107 A CA 0.579 52.712 52.037 0.160 0.000 0.761 107 A CB -0.791 18.347 19.000 0.230 0.000 1.004 107 A HN 1.654 nan 8.150 nan 0.000 0.499 108 G N 0.977 109.859 108.800 0.137 0.000 2.213 108 G HA2 -0.180 3.781 3.960 0.002 0.000 0.236 108 G HA3 -0.180 3.781 3.960 0.002 0.000 0.236 108 G C 0.247 175.161 174.900 0.023 0.000 0.991 108 G CA 0.064 45.158 45.100 -0.009 0.000 0.629 108 G HN 1.419 nan 8.290 nan 0.000 0.517 109 V N 2.092 122.046 119.914 0.065 0.000 2.455 109 V HA 0.332 4.453 4.120 0.002 0.000 0.273 109 V C 1.280 177.420 176.094 0.076 0.000 1.045 109 V CA 0.099 62.451 62.300 0.086 0.000 0.976 109 V CB 1.557 33.447 31.823 0.112 0.000 0.993 109 V HN 0.335 nan 8.190 nan 0.000 0.475 110 E N 2.119 122.362 120.200 0.071 0.000 2.318 110 E HA 0.091 4.442 4.350 0.002 0.000 0.193 110 E C 0.786 177.409 176.600 0.038 0.000 0.998 110 E CA 0.431 56.859 56.400 0.047 0.000 0.859 110 E CB 0.821 30.544 29.700 0.040 0.000 0.812 110 E HN 0.710 nan 8.360 nan 0.000 0.492 111 T N -0.683 113.894 114.554 0.039 0.000 2.769 111 T HA 0.233 4.584 4.350 0.002 0.000 0.306 111 T C -1.311 173.418 174.700 0.047 0.000 1.400 111 T CA -0.538 61.585 62.100 0.038 0.000 1.007 111 T CB 1.749 70.631 68.868 0.024 0.000 1.392 111 T HN -0.240 nan 8.240 nan 0.000 0.500 112 T N 3.023 117.608 114.554 0.052 0.000 2.744 112 T HA 0.615 4.966 4.350 0.002 0.000 0.291 112 T C 0.290 175.022 174.700 0.052 0.000 0.957 112 T CA -0.409 61.730 62.100 0.064 0.000 1.002 112 T CB 0.721 69.630 68.868 0.067 0.000 0.919 112 T HN 0.848 nan 8.240 nan 0.000 0.468 113 T N -0.122 114.468 114.554 0.060 0.000 2.807 113 T HA 0.877 5.228 4.350 0.002 0.000 0.277 113 T C 0.936 175.661 174.700 0.041 0.000 1.006 113 T CA -0.026 62.101 62.100 0.045 0.000 1.006 113 T CB 1.913 70.802 68.868 0.035 0.000 1.274 113 T HN 0.720 nan 8.240 nan 0.000 0.569 114 G N 0.244 109.045 108.800 0.002 0.000 3.638 114 G HA2 0.023 3.984 3.960 0.002 0.000 0.196 114 G HA3 0.023 3.984 3.960 0.002 0.000 0.196 114 G C -2.607 172.214 174.900 -0.131 0.000 1.315 114 G CA -0.466 44.494 45.100 -0.235 0.000 0.944 114 G HN 0.852 nan 8.290 nan 0.000 0.434 115 P HA 0.559 nan 4.420 nan 0.000 0.279 115 P C 0.363 177.686 177.300 0.038 0.000 1.318 115 P CA -0.309 62.794 63.100 0.005 0.000 0.819 115 P CB 0.637 32.362 31.700 0.042 0.000 0.927 116 L N 2.242 123.494 121.223 0.048 0.000 2.506 116 L HA 0.158 4.499 4.340 0.002 0.000 0.281 116 L C 1.832 178.720 176.870 0.030 0.000 1.228 116 L CA 1.111 55.985 54.840 0.057 0.000 0.850 116 L CB -0.474 41.622 42.059 0.062 0.000 1.110 116 L HN 0.771 nan 8.230 nan 0.000 0.496 117 G N 0.980 109.785 108.800 0.009 0.000 2.299 117 G HA2 -0.311 3.650 3.960 0.002 0.000 0.237 117 G HA3 -0.311 3.650 3.960 0.002 0.000 0.237 117 G C 0.918 175.760 174.900 -0.097 0.000 1.027 117 G CA 0.450 45.521 45.100 -0.048 0.000 0.619 117 G HN 0.651 nan 8.290 nan 0.000 0.513 118 Q N 0.371 120.125 119.800 -0.078 0.000 2.230 118 Q HA 0.155 4.496 4.340 0.002 0.000 0.202 118 Q C 2.776 178.749 176.000 -0.045 0.000 0.963 118 Q CA 1.143 56.888 55.803 -0.097 0.000 0.866 118 Q CB -0.208 28.513 28.738 -0.028 0.000 0.931 118 Q HN 0.608 nan 8.270 nan 0.000 0.452 119 G N 1.259 110.050 108.800 -0.014 0.000 2.402 119 G HA2 -0.247 3.715 3.960 0.002 0.000 0.216 119 G HA3 -0.247 3.715 3.960 0.002 0.000 0.216 119 G C 1.386 176.285 174.900 -0.001 0.000 1.162 119 G CA 0.480 45.575 45.100 -0.009 0.000 0.777 119 G HN 0.313 nan 8.290 nan 0.000 0.539 120 I N 1.584 122.164 120.570 0.016 0.000 2.394 120 I HA 0.062 4.233 4.170 0.002 0.000 0.251 120 I C 2.838 178.973 176.117 0.030 0.000 1.136 120 I CA 1.132 62.464 61.300 0.053 0.000 1.425 120 I CB -0.268 37.787 38.000 0.092 0.000 1.079 120 I HN 0.164 nan 8.210 nan 0.000 0.425 121 A N 0.416 123.220 122.820 -0.026 0.000 1.902 121 A HA -0.250 4.071 4.320 0.002 0.000 0.217 121 A C 2.129 179.700 177.584 -0.021 0.000 1.181 121 A CA 2.242 54.249 52.037 -0.050 0.000 0.623 121 A CB -1.225 17.693 19.000 -0.137 0.000 0.818 121 A HN 0.640 nan 8.150 nan 0.000 0.443 122 N N 0.192 118.883 118.700 -0.014 0.000 2.120 122 N HA -0.067 4.674 4.740 0.002 0.000 0.188 122 N C 1.920 177.441 175.510 0.017 0.000 1.024 122 N CA 1.029 54.083 53.050 0.006 0.000 0.852 122 N CB -0.264 38.229 38.487 0.011 0.000 1.003 122 N HN 0.498 nan 8.380 nan 0.000 0.424 123 A N 0.860 123.692 122.820 0.019 0.000 1.933 123 A HA -0.076 4.245 4.320 0.002 0.000 0.218 123 A C 2.381 179.979 177.584 0.023 0.000 1.175 123 A CA 1.016 53.071 52.037 0.030 0.000 0.628 123 A CB -0.669 18.358 19.000 0.045 0.000 0.814 123 A HN 0.100 nan 8.150 nan 0.000 0.444 124 V N -0.072 119.857 119.914 0.025 0.000 2.343 124 V HA -0.196 3.925 4.120 0.002 0.000 0.247 124 V C 2.806 178.880 176.094 -0.034 0.000 1.051 124 V CA 1.965 64.265 62.300 0.000 0.000 1.036 124 V CB -1.418 30.416 31.823 0.017 0.000 0.654 124 V HN 0.608 nan 8.190 nan 0.000 0.451 125 G N -0.734 108.056 108.800 -0.018 0.000 2.418 125 G HA2 -0.268 3.693 3.960 0.002 0.000 0.217 125 G HA3 -0.268 3.693 3.960 0.002 0.000 0.217 125 G C 1.624 176.494 174.900 -0.050 0.000 1.158 125 G CA 1.088 46.168 45.100 -0.033 0.000 0.771 125 G HN 0.438 nan 8.290 nan 0.000 0.545 126 M N 0.774 120.376 119.600 0.004 0.000 2.117 126 M HA 0.023 4.504 4.480 0.002 0.000 0.262 126 M C 3.020 179.279 176.300 -0.068 0.000 1.065 126 M CA 1.389 56.720 55.300 0.051 0.000 1.114 126 M CB -0.176 32.515 32.600 0.153 0.000 1.361 126 M HN 0.305 nan 8.290 nan 0.000 0.408 127 A N 0.421 123.195 122.820 -0.078 0.000 1.930 127 A HA -0.101 4.220 4.320 0.002 0.000 0.217 127 A C 2.071 179.537 177.584 -0.196 0.000 1.175 127 A CA 1.316 53.267 52.037 -0.143 0.000 0.627 127 A CB -0.832 18.086 19.000 -0.136 0.000 0.815 127 A HN 0.450 nan 8.150 nan 0.000 0.443 128 I N -0.304 120.152 120.570 -0.191 0.000 2.286 128 I HA -0.269 3.902 4.170 0.002 0.000 0.248 128 I C 2.938 178.879 176.117 -0.292 0.000 1.115 128 I CA 0.948 62.111 61.300 -0.230 0.000 1.392 128 I CB -0.248 37.616 38.000 -0.226 0.000 1.065 128 I HN 0.367 nan 8.210 nan 0.000 0.418 129 A N 0.159 122.775 122.820 -0.340 0.000 1.902 129 A HA -0.242 4.079 4.320 0.002 0.000 0.217 129 A C 2.362 179.775 177.584 -0.285 0.000 1.181 129 A CA 1.673 53.484 52.037 -0.376 0.000 0.623 129 A CB -0.549 18.207 19.000 -0.406 0.000 0.818 129 A HN 0.409 nan 8.150 nan 0.000 0.443 130 E N 0.351 120.276 120.200 -0.458 0.000 2.051 130 E HA -0.244 4.107 4.350 0.002 0.000 0.192 130 E C 2.070 178.563 176.600 -0.178 0.000 0.991 130 E CA 1.711 57.918 56.400 -0.321 0.000 0.799 130 E CB -0.260 29.190 29.700 -0.416 0.000 0.748 130 E HN 0.652 nan 8.360 nan 0.000 0.449 131 K N -0.341 119.947 120.400 -0.187 0.000 2.026 131 K HA -0.112 4.209 4.320 0.002 0.000 0.208 131 K C 2.080 178.652 176.600 -0.045 0.000 1.048 131 K CA 1.888 58.096 56.287 -0.132 0.000 0.929 131 K CB -0.100 32.306 32.500 -0.157 0.000 0.713 131 K HN 0.058 nan 8.250 nan 0.000 0.439 132 T N 1.562 116.099 114.554 -0.028 0.000 2.857 132 T HA -0.107 4.244 4.350 0.002 0.000 0.266 132 T C 1.669 176.538 174.700 0.282 0.000 1.048 132 T CA 0.903 63.045 62.100 0.071 0.000 1.139 132 T CB -0.098 68.736 68.868 -0.056 0.000 0.874 132 T HN 0.109 nan 8.240 nan 0.000 0.455 133 L N 1.210 122.668 121.223 0.392 0.000 2.093 133 L HA 0.174 4.515 4.340 0.002 0.000 0.208 133 L C 2.613 179.717 176.870 0.391 0.000 1.085 133 L CA 1.358 56.477 54.840 0.466 0.000 0.755 133 L CB -0.877 41.412 42.059 0.383 0.000 0.904 133 L HN 0.220 nan 8.230 nan 0.000 0.435 134 A N -0.650 122.296 122.820 0.210 0.000 1.902 134 A HA -0.154 4.167 4.320 0.002 0.000 0.217 134 A C 2.444 180.104 177.584 0.127 0.000 1.181 134 A CA 1.783 53.907 52.037 0.145 0.000 0.623 134 A CB -1.090 17.928 19.000 0.029 0.000 0.818 134 A HN 0.492 nan 8.150 nan 0.000 0.443 135 A N -0.796 122.077 122.820 0.089 0.000 1.933 135 A HA -0.202 4.119 4.320 0.002 0.000 0.218 135 A C 2.115 179.722 177.584 0.038 0.000 1.175 135 A CA 1.669 53.734 52.037 0.047 0.000 0.628 135 A CB -0.512 18.502 19.000 0.023 0.000 0.814 135 A HN 0.671 nan 8.150 nan 0.000 0.444 136 Q N -2.289 117.554 119.800 0.071 0.000 2.187 136 Q HA 0.005 4.346 4.340 0.002 0.000 0.199 136 Q C 1.256 177.086 176.000 -0.284 0.000 0.957 136 Q CA 1.295 57.035 55.803 -0.104 0.000 0.857 136 Q CB -0.058 28.608 28.738 -0.120 0.000 0.929 136 Q HN 0.758 nan 8.270 nan 0.000 0.453 137 F N -0.293 119.712 119.950 0.092 0.000 2.680 137 F HA 0.158 4.686 4.527 0.002 0.000 0.290 137 F C 0.520 176.354 175.800 0.056 0.000 1.114 137 F CA -0.574 57.483 58.000 0.095 0.000 1.333 137 F CB 0.386 39.457 39.000 0.118 0.000 1.091 137 F HN -0.121 nan 8.300 nan 0.000 0.606 138 N N 2.164 120.978 118.700 0.189 0.000 2.479 138 N HA 0.168 4.909 4.740 0.002 0.000 0.257 138 N C -0.217 175.335 175.510 0.070 0.000 1.232 138 N CA 0.274 53.405 53.050 0.134 0.000 0.920 138 N CB 0.445 38.991 38.487 0.099 0.000 1.105 138 N HN 0.029 nan 8.380 nan 0.000 0.444 139 R N 1.099 121.656 120.500 0.095 0.000 2.795 139 R HA 0.478 4.819 4.340 0.002 0.000 0.275 139 R C -2.787 173.611 176.300 0.164 0.000 0.981 139 R CA -1.817 54.299 56.100 0.026 0.000 0.917 139 R CB 0.765 30.915 30.300 -0.250 0.000 1.202 139 R HN 0.397 nan 8.270 nan 0.000 0.469 140 P HA -0.048 nan 4.420 nan 0.000 0.262 140 P C 0.673 178.062 177.300 0.148 0.000 1.199 140 P CA 1.080 64.252 63.100 0.121 0.000 0.763 140 P CB 0.296 32.051 31.700 0.091 0.000 0.790 141 G N 2.866 111.712 108.800 0.076 0.000 2.205 141 G HA2 -0.222 3.739 3.960 0.002 0.000 0.261 141 G HA3 -0.222 3.739 3.960 0.002 0.000 0.261 141 G C 0.357 175.173 174.900 -0.139 0.000 0.980 141 G CA -0.144 44.937 45.100 -0.032 0.000 0.632 141 G HN 0.758 nan 8.290 nan 0.000 0.533 142 H N 0.765 119.904 119.070 0.115 0.000 2.386 142 H HA 0.270 4.827 4.556 0.002 0.000 0.232 142 H C -0.924 174.474 175.328 0.117 0.000 1.416 142 H CA -0.560 55.585 56.048 0.161 0.000 1.285 142 H CB 0.526 30.468 29.762 0.300 0.000 1.625 142 H HN 0.160 nan 8.280 nan 0.000 0.521 143 D N 2.300 122.791 120.400 0.152 0.000 2.558 143 D HA 0.057 4.698 4.640 0.002 0.000 0.221 143 D C 1.823 178.197 176.300 0.123 0.000 1.143 143 D CA -0.157 53.915 54.000 0.120 0.000 1.010 143 D CB 0.093 40.955 40.800 0.103 0.000 1.068 143 D HN 0.598 nan 8.370 nan 0.000 0.511 144 I N -1.760 118.837 120.570 0.045 0.000 3.111 144 I HA 0.015 4.186 4.170 0.002 0.000 0.272 144 I C 0.184 176.497 176.117 0.327 0.000 1.268 144 I CA 0.293 61.635 61.300 0.069 0.000 1.467 144 I CB 0.178 37.949 38.000 -0.382 0.000 1.087 144 I HN -0.173 nan 8.210 nan 0.000 0.467 145 V N 2.605 122.633 119.914 0.190 0.000 2.378 145 V HA 0.490 4.611 4.120 0.002 0.000 0.288 145 V C -1.137 175.016 176.094 0.099 0.000 1.016 145 V CA -0.289 62.137 62.300 0.209 0.000 0.840 145 V CB 1.209 33.150 31.823 0.196 0.000 0.994 145 V HN 0.283 nan 8.190 nan 0.000 0.431 146 D N 4.048 124.498 120.400 0.083 0.000 2.362 146 D HA 0.251 4.892 4.640 0.002 0.000 0.228 146 D C -0.930 175.372 176.300 0.003 0.000 1.326 146 D CA -0.251 53.738 54.000 -0.017 0.000 0.927 146 D CB 0.568 41.418 40.800 0.083 0.000 1.501 146 D HN 0.827 nan 8.370 nan 0.000 0.519 147 H N 0.447 119.462 119.070 -0.093 0.000 3.016 147 H HA 0.413 4.971 4.556 0.002 0.000 0.362 147 H C -1.270 173.948 175.328 -0.183 0.000 1.233 147 H CA -0.692 55.311 56.048 -0.075 0.000 1.124 147 H CB 0.575 30.261 29.762 -0.127 0.000 1.850 147 H HN 0.059 nan 8.280 nan 0.000 0.549 148 Y N 0.313 120.603 120.300 -0.017 0.000 2.432 148 Y HA 0.384 4.935 4.550 0.002 0.000 0.322 148 Y C 0.567 176.327 175.900 -0.233 0.000 1.246 148 Y CA -0.124 57.833 58.100 -0.237 0.000 1.268 148 Y CB 1.969 40.114 38.460 -0.524 0.000 1.276 148 Y HN 0.586 nan 8.280 nan 0.000 0.499 149 T N 2.079 116.520 114.554 -0.188 0.000 2.847 149 T HA 0.408 4.759 4.350 0.002 0.000 0.291 149 T C -1.537 173.079 174.700 -0.141 0.000 0.998 149 T CA -0.654 61.391 62.100 -0.092 0.000 0.967 149 T CB -0.139 68.713 68.868 -0.025 0.000 0.954 149 T HN 0.239 nan 8.240 nan 0.000 0.441 150 Y N 1.427 121.853 120.300 0.209 0.000 2.409 150 Y HA 0.714 5.265 4.550 0.002 0.000 0.339 150 Y C 0.286 176.277 175.900 0.152 0.000 1.033 150 Y CA -1.047 57.228 58.100 0.293 0.000 1.094 150 Y CB 1.663 40.379 38.460 0.427 0.000 1.210 150 Y HN 0.772 nan 8.280 nan 0.000 0.456 151 A N 2.931 126.012 122.820 0.436 0.000 2.449 151 A HA 0.809 5.130 4.320 0.002 0.000 0.302 151 A C -1.915 175.983 177.584 0.524 0.000 1.048 151 A CA -0.586 51.575 52.037 0.207 0.000 0.708 151 A CB 0.908 20.012 19.000 0.173 0.000 1.274 151 A HN 0.463 nan 8.150 nan 0.000 0.410 152 F N 1.969 121.944 119.950 0.042 0.000 2.443 152 F HA 0.742 5.270 4.527 0.002 0.000 0.335 152 F C 0.511 176.370 175.800 0.098 0.000 1.104 152 F CA -1.111 56.971 58.000 0.137 0.000 1.013 152 F CB 1.723 40.780 39.000 0.095 0.000 1.136 152 F HN 0.716 nan 8.300 nan 0.000 0.470 153 M N 1.456 121.243 119.600 0.311 0.000 2.569 153 M HA 0.908 5.389 4.480 0.002 0.000 0.279 153 M C -0.754 175.716 176.300 0.283 0.000 1.253 153 M CA -0.713 54.727 55.300 0.234 0.000 0.867 153 M CB 2.251 34.962 32.600 0.184 0.000 1.727 153 M HN 0.539 nan 8.290 nan 0.000 0.467 154 G N -0.077 108.885 108.800 0.270 0.000 3.175 154 G HA2 0.427 4.388 3.960 0.002 0.000 0.255 154 G HA3 0.427 4.388 3.960 0.002 0.000 0.255 154 G C -0.415 174.715 174.900 0.384 0.000 1.352 154 G CA -0.409 44.889 45.100 0.329 0.000 1.037 154 G HN 0.805 nan 8.290 nan 0.000 0.556 155 D N -0.162 120.460 120.400 0.371 0.000 2.144 155 D HA -0.084 4.557 4.640 0.002 0.000 0.200 155 D C 2.487 178.784 176.300 -0.006 0.000 0.978 155 D CA 1.483 55.650 54.000 0.278 0.000 0.833 155 D CB -0.342 40.620 40.800 0.271 0.000 0.961 155 D HN 0.420 nan 8.370 nan 0.000 0.470 156 G N 0.702 109.537 108.800 0.059 0.000 2.440 156 G HA2 -0.288 3.673 3.960 0.002 0.000 0.218 156 G HA3 -0.288 3.673 3.960 0.002 0.000 0.218 156 G C 1.952 176.844 174.900 -0.013 0.000 1.154 156 G CA 0.919 46.019 45.100 -0.000 0.000 0.767 156 G HN 0.305 nan 8.290 nan 0.000 0.552 157 C N 0.482 119.808 119.300 0.043 0.000 2.429 157 C HA 0.030 4.491 4.460 0.002 0.000 0.277 157 C C 2.979 177.960 174.990 -0.016 0.000 1.262 157 C CA 0.860 59.894 59.018 0.026 0.000 1.733 157 C CB -0.587 27.195 27.740 0.070 0.000 2.010 157 C HN 0.386 nan 8.230 nan 0.000 0.483 158 M N -0.266 119.300 119.600 -0.056 0.000 2.229 158 M HA -0.080 4.401 4.480 0.002 0.000 0.264 158 M C 2.061 178.284 176.300 -0.127 0.000 1.063 158 M CA 1.566 56.825 55.300 -0.068 0.000 1.114 158 M CB -0.968 31.577 32.600 -0.092 0.000 1.387 158 M HN 0.445 nan 8.290 nan 0.000 0.420 159 M N -0.480 118.936 119.600 -0.306 0.000 2.200 159 M HA -0.080 4.401 4.480 0.002 0.000 0.265 159 M C 0.510 176.757 176.300 -0.089 0.000 1.066 159 M CA 0.739 55.868 55.300 -0.284 0.000 1.127 159 M CB -0.167 32.225 32.600 -0.347 0.000 1.379 159 M HN 0.038 nan 8.290 nan 0.000 0.420 160 E N 0.593 120.761 120.200 -0.054 0.000 2.414 160 E HA -0.024 4.327 4.350 0.002 0.000 0.263 160 E C 1.091 177.705 176.600 0.023 0.000 1.000 160 E CA 0.251 56.649 56.400 -0.002 0.000 0.914 160 E CB 0.753 30.457 29.700 0.006 0.000 0.948 160 E HN 0.342 nan 8.360 nan 0.000 0.444 161 G N 3.576 112.407 108.800 0.052 0.000 2.450 161 G HA2 -0.257 3.704 3.960 0.002 0.000 0.220 161 G HA3 -0.257 3.704 3.960 0.002 0.000 0.220 161 G C 1.426 176.371 174.900 0.075 0.000 1.130 161 G CA 0.266 45.416 45.100 0.083 0.000 0.760 161 G HN 0.624 nan 8.290 nan 0.000 0.557 162 I N 1.591 122.158 120.570 -0.005 0.000 2.454 162 I HA -0.193 3.979 4.170 0.002 0.000 0.254 162 I C 2.982 179.027 176.117 -0.120 0.000 1.156 162 I CA 1.565 62.774 61.300 -0.152 0.000 1.433 162 I CB -0.028 37.656 38.000 -0.526 0.000 1.082 162 I HN 0.329 nan 8.210 nan 0.000 0.432 163 S N -0.384 115.285 115.700 -0.052 0.000 2.382 163 S HA -0.334 4.137 4.470 0.002 0.000 0.228 163 S C 2.054 176.616 174.600 -0.064 0.000 1.027 163 S CA 1.564 59.749 58.200 -0.024 0.000 0.991 163 S CB -0.769 62.457 63.200 0.043 0.000 0.823 163 S HN 0.728 nan 8.310 nan 0.000 0.469 164 H N 1.690 120.699 119.070 -0.102 0.000 2.357 164 H HA 0.049 4.607 4.556 0.002 0.000 0.301 164 H C 1.994 177.165 175.328 -0.261 0.000 1.082 164 H CA 2.091 58.042 56.048 -0.161 0.000 1.342 164 H CB -0.433 29.317 29.762 -0.020 0.000 1.389 164 H HN 0.586 nan 8.280 nan 0.000 0.511 165 E N -0.171 119.856 120.200 -0.288 0.000 2.023 165 E HA -0.172 4.179 4.350 0.002 0.000 0.196 165 E C 2.458 178.870 176.600 -0.314 0.000 1.003 165 E CA 1.993 58.200 56.400 -0.322 0.000 0.809 165 E CB -0.131 29.495 29.700 -0.123 0.000 0.755 165 E HN 0.530 nan 8.360 nan 0.000 0.449 166 V N -0.966 118.816 119.914 -0.219 0.000 2.548 166 V HA -0.140 3.981 4.120 0.002 0.000 0.249 166 V C 2.197 178.216 176.094 -0.126 0.000 1.055 166 V CA 1.270 63.490 62.300 -0.133 0.000 1.065 166 V CB -0.649 31.130 31.823 -0.073 0.000 0.681 166 V HN 0.291 nan 8.190 nan 0.000 0.462 167 C N 0.562 119.717 119.300 -0.242 0.000 2.464 167 C HA 0.014 4.475 4.460 0.002 0.000 0.278 167 C C 3.262 177.995 174.990 -0.428 0.000 1.375 167 C CA 1.266 60.192 59.018 -0.154 0.000 1.761 167 C CB -0.716 26.747 27.740 -0.462 0.000 1.944 167 C HN 0.758 nan 8.230 nan 0.000 0.509 168 S N 0.913 116.019 115.700 -0.991 0.000 2.348 168 S HA -0.155 4.316 4.470 0.002 0.000 0.221 168 S C 1.814 176.240 174.600 -0.290 0.000 1.033 168 S CA 1.486 59.177 58.200 -0.848 0.000 1.010 168 S CB -0.365 62.312 63.200 -0.872 0.000 0.891 168 S HN 0.460 nan 8.310 nan 0.000 0.442 169 L N 1.871 122.955 121.223 -0.231 0.000 2.141 169 L HA 0.201 4.542 4.340 0.002 0.000 0.209 169 L C 2.522 179.347 176.870 -0.076 0.000 1.094 169 L CA 1.870 56.636 54.840 -0.122 0.000 0.763 169 L CB -1.249 40.752 42.059 -0.098 0.000 0.908 169 L HN 0.376 nan 8.230 nan 0.000 0.437 170 A N -0.672 122.132 122.820 -0.027 0.000 1.933 170 A HA -0.075 4.246 4.320 0.002 0.000 0.218 170 A C 2.329 179.862 177.584 -0.085 0.000 1.175 170 A CA 1.491 53.506 52.037 -0.038 0.000 0.628 170 A CB -1.435 17.602 19.000 0.061 0.000 0.814 170 A HN 0.508 nan 8.150 nan 0.000 0.444 171 G N -1.224 107.608 108.800 0.054 0.000 2.402 171 G HA2 -0.116 3.845 3.960 0.002 0.000 0.216 171 G HA3 -0.116 3.845 3.960 0.002 0.000 0.216 171 G C 1.558 176.458 174.900 0.001 0.000 1.162 171 G CA 1.559 46.693 45.100 0.057 0.000 0.777 171 G HN 0.420 nan 8.290 nan 0.000 0.539 172 T N 1.286 115.833 114.554 -0.011 0.000 2.746 172 T HA -0.024 4.327 4.350 0.002 0.000 0.267 172 T C 2.078 176.741 174.700 -0.062 0.000 1.039 172 T CA 0.707 62.787 62.100 -0.033 0.000 1.142 172 T CB -0.162 68.678 68.868 -0.047 0.000 0.866 172 T HN 0.127 nan 8.240 nan 0.000 0.444 173 L N 0.404 121.574 121.223 -0.088 0.000 2.627 173 L HA 0.227 4.569 4.340 0.002 0.000 0.232 173 L C 0.362 177.159 176.870 -0.122 0.000 1.150 173 L CA 0.066 54.841 54.840 -0.108 0.000 0.917 173 L CB -0.318 41.662 42.059 -0.132 0.000 1.104 173 L HN 0.224 nan 8.230 nan 0.000 0.445 174 K N 0.909 121.234 120.400 -0.126 0.000 3.148 174 K HA -0.178 4.143 4.320 0.002 0.000 0.267 174 K C -0.263 176.231 176.600 -0.177 0.000 0.996 174 K CA 0.352 56.556 56.287 -0.139 0.000 0.737 174 K CB -1.690 30.750 32.500 -0.100 0.000 1.308 174 K HN 0.344 nan 8.250 nan 0.000 0.470 175 L N 0.727 121.811 121.223 -0.231 0.000 2.395 175 L HA 0.072 4.414 4.340 0.002 0.000 0.268 175 L C 1.888 178.599 176.870 -0.264 0.000 1.223 175 L CA 0.087 54.782 54.840 -0.241 0.000 1.093 175 L CB 0.262 42.172 42.059 -0.248 0.000 1.349 175 L HN 0.460 nan 8.230 nan 0.000 0.427 176 G N 1.473 110.145 108.800 -0.214 0.000 2.470 176 G HA2 -0.179 3.782 3.960 0.002 0.000 0.220 176 G HA3 -0.179 3.782 3.960 0.002 0.000 0.220 176 G C 1.393 176.191 174.900 -0.170 0.000 1.121 176 G CA 0.239 45.233 45.100 -0.176 0.000 0.766 176 G HN 0.501 nan 8.290 nan 0.000 0.553 177 K N -0.602 119.641 120.400 -0.263 0.000 2.417 177 K HA 0.218 4.539 4.320 0.002 0.000 0.196 177 K C -0.135 176.346 176.600 -0.199 0.000 1.023 177 K CA -0.485 55.581 56.287 -0.367 0.000 1.122 177 K CB 0.357 32.435 32.500 -0.703 0.000 0.850 177 K HN 0.239 nan 8.250 nan 0.000 0.521 178 L N 1.718 122.832 121.223 -0.181 0.000 2.260 178 L HA 0.346 4.687 4.340 0.002 0.000 0.289 178 L C -0.811 176.016 176.870 -0.071 0.000 1.057 178 L CA -0.090 54.671 54.840 -0.133 0.000 0.811 178 L CB 0.448 42.397 42.059 -0.184 0.000 1.184 178 L HN -0.012 nan 8.230 nan 0.000 0.429 179 I N 5.700 126.298 120.570 0.046 0.000 2.439 179 I HA 0.598 4.769 4.170 0.002 0.000 0.285 179 I C -0.353 175.917 176.117 0.256 0.000 1.021 179 I CA -0.548 60.827 61.300 0.124 0.000 1.091 179 I CB 1.720 39.830 38.000 0.183 0.000 1.242 179 I HN 0.780 nan 8.210 nan 0.000 0.439 180 A N 6.567 129.524 122.820 0.228 0.000 2.330 180 A HA 0.847 5.168 4.320 0.002 0.000 0.327 180 A C -1.234 176.448 177.584 0.164 0.000 1.155 180 A CA -0.307 51.931 52.037 0.336 0.000 0.803 180 A CB 0.695 19.924 19.000 0.382 0.000 1.208 180 A HN 0.498 nan 8.150 nan 0.000 0.477 181 F N 1.626 121.728 119.950 0.254 0.000 2.426 181 F HA 0.409 4.937 4.527 0.002 0.000 0.348 181 F C -0.363 175.483 175.800 0.077 0.000 1.124 181 F CA -0.484 57.577 58.000 0.102 0.000 1.008 181 F CB 1.402 40.379 39.000 -0.038 0.000 1.139 181 F HN 0.579 nan 8.300 nan 0.000 0.452 182 Y N 3.229 123.547 120.300 0.031 0.000 2.335 182 Y HA 0.317 4.868 4.550 0.002 0.000 0.339 182 Y C -0.235 175.644 175.900 -0.036 0.000 0.987 182 Y CA -1.930 56.157 58.100 -0.022 0.000 1.140 182 Y CB 0.805 39.203 38.460 -0.102 0.000 1.173 182 Y HN 0.545 nan 8.280 nan 0.000 0.486 183 D N 4.725 125.033 120.400 -0.152 0.000 2.508 183 D HA 0.029 4.670 4.640 0.002 0.000 0.224 183 D C -0.902 175.070 176.300 -0.547 0.000 1.171 183 D CA 0.085 53.915 54.000 -0.284 0.000 1.006 183 D CB -0.285 40.456 40.800 -0.098 0.000 1.073 183 D HN 0.506 nan 8.370 nan 0.000 0.513 184 D N 2.476 122.437 120.400 -0.732 0.000 2.517 184 D HA 0.009 4.650 4.640 0.002 0.000 0.220 184 D C 0.435 176.571 176.300 -0.274 0.000 1.158 184 D CA -0.326 53.235 54.000 -0.732 0.000 0.992 184 D CB -0.278 40.111 40.800 -0.685 0.000 1.058 184 D HN 0.339 nan 8.370 nan 0.000 0.516 185 N N 1.558 120.171 118.700 -0.144 0.000 2.203 185 N HA 0.129 4.870 4.740 0.002 0.000 0.207 185 N C 1.402 176.929 175.510 0.028 0.000 1.130 185 N CA 0.175 53.211 53.050 -0.023 0.000 0.861 185 N CB 0.337 38.838 38.487 0.024 0.000 1.005 185 N HN 0.258 nan 8.380 nan 0.000 0.507 186 G N -0.032 108.789 108.800 0.035 0.000 2.175 186 G HA2 -0.235 3.726 3.960 0.002 0.000 0.265 186 G HA3 -0.235 3.726 3.960 0.002 0.000 0.265 186 G C -0.378 174.552 174.900 0.050 0.000 0.979 186 G CA 0.675 45.813 45.100 0.063 0.000 0.663 186 G HN 0.349 nan 8.290 nan 0.000 0.533 187 I N 0.794 121.397 120.570 0.055 0.000 2.608 187 I HA 0.680 4.851 4.170 0.002 0.000 0.295 187 I C 0.577 176.761 176.117 0.113 0.000 1.049 187 I CA -0.374 60.942 61.300 0.027 0.000 1.063 187 I CB 1.818 39.833 38.000 0.025 0.000 1.248 187 I HN 0.398 nan 8.210 nan 0.000 0.424 188 S N 5.093 120.884 115.700 0.152 0.000 2.900 188 S HA 0.615 5.086 4.470 0.002 0.000 0.320 188 S C 1.017 175.607 174.600 -0.016 0.000 1.130 188 S CA -0.705 57.561 58.200 0.111 0.000 0.863 188 S CB 1.358 64.707 63.200 0.248 0.000 1.295 188 S HN 0.431 nan 8.310 nan 0.000 0.596 189 I N 1.093 121.551 120.570 -0.186 0.000 2.252 189 I HA -0.120 4.051 4.170 0.002 0.000 0.245 189 I C 1.389 177.422 176.117 -0.140 0.000 1.102 189 I CA 1.433 62.598 61.300 -0.224 0.000 1.385 189 I CB -0.420 37.415 38.000 -0.276 0.000 1.064 189 I HN 0.598 nan 8.210 nan 0.000 0.414 190 D N 0.632 120.914 120.400 -0.195 0.000 2.350 190 D HA 0.087 4.728 4.640 0.002 0.000 0.216 190 D C 0.939 177.172 176.300 -0.110 0.000 0.968 190 D CA 1.083 54.911 54.000 -0.287 0.000 0.894 190 D CB 0.181 40.509 40.800 -0.787 0.000 0.909 190 D HN 0.526 nan 8.370 nan 0.000 0.520 191 G N -1.193 107.637 108.800 0.051 0.000 2.247 191 G HA2 -0.130 3.831 3.960 0.002 0.000 0.229 191 G HA3 -0.130 3.831 3.960 0.002 0.000 0.229 191 G C -1.062 173.886 174.900 0.079 0.000 1.345 191 G CA -0.937 44.126 45.100 -0.061 0.000 1.100 191 G HN 0.092 nan 8.290 nan 0.000 0.473 192 H N 1.536 120.634 119.070 0.046 0.000 2.975 192 H HA 0.190 4.747 4.556 0.002 0.000 0.303 192 H C 2.079 177.082 175.328 -0.542 0.000 1.023 192 H CA 0.939 56.911 56.048 -0.125 0.000 1.473 192 H CB 1.481 31.174 29.762 -0.115 0.000 1.498 192 H HN 0.816 nan 8.280 nan 0.000 0.549 193 V N 2.032 121.723 119.914 -0.371 0.000 2.913 193 V HA -0.173 3.948 4.120 0.002 0.000 0.260 193 V C 1.760 177.330 176.094 -0.873 0.000 1.098 193 V CA 1.455 63.285 62.300 -0.784 0.000 1.121 193 V CB -0.360 31.395 31.823 -0.113 0.000 0.714 193 V HN 0.715 nan 8.190 nan 0.000 0.487 194 E N 2.009 121.909 120.200 -0.500 0.000 2.409 194 E HA -0.080 4.272 4.350 0.002 0.000 0.198 194 E C 2.024 178.404 176.600 -0.366 0.000 1.024 194 E CA 1.306 57.498 56.400 -0.346 0.000 0.861 194 E CB -0.659 28.919 29.700 -0.204 0.000 0.788 194 E HN 0.640 nan 8.360 nan 0.000 0.521 195 G N 0.745 109.201 108.800 -0.573 0.000 2.650 195 G HA2 -0.078 3.883 3.960 0.002 0.000 0.214 195 G HA3 -0.078 3.883 3.960 0.002 0.000 0.214 195 G C 0.831 175.796 174.900 0.109 0.000 1.136 195 G CA 0.486 45.480 45.100 -0.176 0.000 0.789 195 G HN 0.546 nan 8.290 nan 0.000 0.536 196 W N -3.426 117.929 121.300 0.093 0.000 2.079 196 W HA 0.633 5.293 4.660 0.001 0.000 0.285 196 W C -0.592 176.054 176.519 0.211 0.000 0.891 196 W CA -1.280 56.129 57.345 0.106 0.000 1.308 196 W CB 0.270 29.771 29.460 0.068 0.000 1.047 196 W HN -0.095 nan 8.180 nan 0.000 0.522 197 F N 3.652 123.523 119.950 -0.132 0.000 2.941 197 F HA 0.501 5.029 4.527 0.001 0.000 0.359 197 F C 0.068 175.824 175.800 -0.074 0.000 1.231 197 F CA -1.438 56.542 58.000 -0.034 0.000 1.089 197 F CB 0.975 39.979 39.000 0.007 0.000 1.407 197 F HN 0.034 nan 8.300 nan 0.000 0.538 198 T N -0.096 114.325 114.554 -0.222 0.000 3.231 198 T HA 0.250 4.601 4.350 0.002 0.000 0.292 198 T C -0.178 174.334 174.700 -0.313 0.000 1.001 198 T CA -0.398 61.529 62.100 -0.288 0.000 0.920 198 T CB -0.340 68.447 68.868 -0.134 0.000 1.140 198 T HN 0.249 nan 8.240 nan 0.000 0.525 199 D N 2.854 123.002 120.400 -0.420 0.000 2.419 199 D HA 0.122 4.763 4.640 0.002 0.000 0.236 199 D C 0.054 176.208 176.300 -0.244 0.000 1.165 199 D CA 0.210 54.063 54.000 -0.245 0.000 0.882 199 D CB 0.477 41.186 40.800 -0.153 0.000 1.201 199 D HN 0.209 nan 8.370 nan 0.000 0.443 200 D N 0.964 121.281 120.400 -0.140 0.000 2.483 200 D HA 0.033 4.674 4.640 0.002 0.000 0.220 200 D C 0.548 176.799 176.300 -0.082 0.000 1.173 200 D CA -0.095 53.840 54.000 -0.109 0.000 0.964 200 D CB 0.188 40.941 40.800 -0.079 0.000 1.046 200 D HN 0.122 nan 8.370 nan 0.000 0.517 201 T N 1.858 116.364 114.554 -0.079 0.000 2.759 201 T HA -0.166 4.185 4.350 0.002 0.000 0.269 201 T C 1.854 176.561 174.700 0.011 0.000 1.042 201 T CA 1.527 63.618 62.100 -0.015 0.000 1.140 201 T CB 0.058 68.888 68.868 -0.063 0.000 0.864 201 T HN 0.530 nan 8.240 nan 0.000 0.455 202 A N 1.464 124.268 122.820 -0.026 0.000 1.883 202 A HA -0.080 4.241 4.320 0.002 0.000 0.217 202 A C 2.313 179.898 177.584 0.002 0.000 1.186 202 A CA 1.887 53.913 52.037 -0.017 0.000 0.624 202 A CB -0.734 18.250 19.000 -0.026 0.000 0.822 202 A HN 0.525 nan 8.150 nan 0.000 0.444 203 M N -0.826 118.757 119.600 -0.028 0.000 2.159 203 M HA -0.159 4.322 4.480 0.002 0.000 0.263 203 M C 2.324 178.562 176.300 -0.104 0.000 1.063 203 M CA 2.002 57.273 55.300 -0.049 0.000 1.110 203 M CB -0.202 32.366 32.600 -0.054 0.000 1.374 203 M HN 0.521 nan 8.290 nan 0.000 0.411 204 R N -0.333 120.088 120.500 -0.132 0.000 2.081 204 R HA -0.172 4.169 4.340 0.002 0.000 0.235 204 R C 1.738 177.663 176.300 -0.625 0.000 1.131 204 R CA 1.922 57.823 56.100 -0.332 0.000 0.960 204 R CB -0.459 29.709 30.300 -0.221 0.000 0.856 204 R HN 0.367 nan 8.270 nan 0.000 0.436 205 F N 1.320 120.990 119.950 -0.465 0.000 2.259 205 F HA -0.006 4.522 4.527 0.002 0.000 0.298 205 F C 2.190 177.895 175.800 -0.159 0.000 1.088 205 F CA 1.198 58.941 58.000 -0.428 0.000 1.358 205 F CB -0.047 38.733 39.000 -0.365 0.000 1.040 205 F HN 0.121 nan 8.300 nan 0.000 0.505 206 E N -0.126 120.098 120.200 0.041 0.000 2.150 206 E HA -0.173 4.178 4.350 0.002 0.000 0.193 206 E C 2.356 178.969 176.600 0.021 0.000 0.985 206 E CA 0.867 57.312 56.400 0.075 0.000 0.814 206 E CB -0.265 29.465 29.700 0.050 0.000 0.752 206 E HN 0.360 nan 8.360 nan 0.000 0.466 207 A N 0.551 123.301 122.820 -0.116 0.000 2.015 207 A HA -0.154 4.167 4.320 0.002 0.000 0.219 207 A C 1.291 178.864 177.584 -0.018 0.000 1.163 207 A CA 0.995 52.964 52.037 -0.113 0.000 0.646 207 A CB -0.424 18.441 19.000 -0.225 0.000 0.806 207 A HN 0.236 nan 8.150 nan 0.000 0.448 208 Y N -0.735 119.555 120.300 -0.017 0.000 2.490 208 Y HA 0.339 4.890 4.550 0.002 0.000 0.281 208 Y C 1.847 177.875 175.900 0.212 0.000 1.174 208 Y CA -0.327 57.793 58.100 0.034 0.000 1.295 208 Y CB -0.681 37.715 38.460 -0.106 0.000 1.062 208 Y HN 0.428 nan 8.280 nan 0.000 0.522 209 G N -1.637 107.361 108.800 0.330 0.000 2.137 209 G HA2 -0.268 3.693 3.960 0.002 0.000 0.237 209 G HA3 -0.268 3.693 3.960 0.002 0.000 0.237 209 G C -0.220 174.896 174.900 0.360 0.000 1.002 209 G CA -0.309 44.952 45.100 0.268 0.000 0.702 209 G HN 0.197 nan 8.290 nan 0.000 0.515 210 W N 0.402 121.800 121.300 0.164 0.000 2.215 210 W HA 0.595 5.256 4.660 0.002 0.000 0.342 210 W C 0.984 177.614 176.519 0.185 0.000 1.237 210 W CA -0.740 56.724 57.345 0.197 0.000 1.283 210 W CB 0.383 30.030 29.460 0.311 0.000 1.131 210 W HN 0.243 nan 8.180 nan 0.000 0.606 211 H N 1.447 120.679 119.070 0.270 0.000 2.620 211 H HA 0.456 5.013 4.556 0.002 0.000 0.313 211 H C -1.218 174.235 175.328 0.209 0.000 1.075 211 H CA -0.148 56.002 56.048 0.169 0.000 1.397 211 H CB 0.866 30.674 29.762 0.077 0.000 1.446 211 H HN 0.149 nan 8.280 nan 0.000 0.493 212 V N 7.827 127.623 119.914 -0.197 0.000 2.531 212 V HA 0.252 4.373 4.120 0.002 0.000 0.301 212 V C 0.120 176.032 176.094 -0.303 0.000 1.034 212 V CA -0.740 61.437 62.300 -0.204 0.000 0.865 212 V CB 1.741 33.549 31.823 -0.025 0.000 0.995 212 V HN 0.681 nan 8.190 nan 0.000 0.424 213 I N 5.110 125.504 120.570 -0.294 0.000 2.330 213 I HA 0.497 4.668 4.170 0.002 0.000 0.289 213 I C 0.381 176.436 176.117 -0.102 0.000 1.001 213 I CA -0.467 60.725 61.300 -0.180 0.000 1.193 213 I CB 1.252 39.154 38.000 -0.164 0.000 1.345 213 I HN 0.518 nan 8.210 nan 0.000 0.461 214 R N 4.440 124.901 120.500 -0.064 0.000 2.528 214 R HA 0.252 4.593 4.340 0.002 0.000 0.271 214 R C -0.312 175.966 176.300 -0.036 0.000 1.056 214 R CA -0.641 55.433 56.100 -0.044 0.000 1.117 214 R CB 0.475 30.757 30.300 -0.030 0.000 1.085 214 R HN 0.543 nan 8.270 nan 0.000 0.530 215 D N 0.768 121.147 120.400 -0.035 0.000 2.708 215 D HA -0.188 4.453 4.640 0.002 0.000 0.236 215 D C -0.583 175.697 176.300 -0.033 0.000 1.146 215 D CA 1.000 54.980 54.000 -0.033 0.000 0.662 215 D CB -1.104 39.684 40.800 -0.021 0.000 1.059 215 D HN 0.390 nan 8.370 nan 0.000 0.428 216 I N 0.685 121.229 120.570 -0.044 0.000 2.441 216 I HA 0.012 4.183 4.170 0.002 0.000 0.287 216 I C 1.065 177.148 176.117 -0.056 0.000 1.049 216 I CA -0.290 60.986 61.300 -0.040 0.000 1.381 216 I CB 0.732 38.708 38.000 -0.040 0.000 1.409 216 I HN -0.146 nan 8.210 nan 0.000 0.523 217 D N 5.605 125.980 120.400 -0.041 0.000 2.344 217 D HA 0.069 4.710 4.640 0.002 0.000 0.253 217 D C 1.102 177.334 176.300 -0.112 0.000 1.255 217 D CA -0.115 53.855 54.000 -0.049 0.000 0.894 217 D CB 1.370 42.169 40.800 -0.002 0.000 1.067 217 D HN 0.704 nan 8.370 nan 0.000 0.492 218 G N 2.976 111.633 108.800 -0.239 0.000 2.848 218 G HA2 -0.144 3.817 3.960 0.002 0.000 0.208 218 G HA3 -0.144 3.817 3.960 0.002 0.000 0.208 218 G C 0.822 175.372 174.900 -0.583 0.000 1.152 218 G CA 0.164 45.031 45.100 -0.388 0.000 0.789 218 G HN 0.610 nan 8.290 nan 0.000 0.531 219 H N -0.538 118.460 119.070 -0.120 0.000 2.581 219 H HA 0.167 4.724 4.556 0.002 0.000 0.275 219 H C -0.722 174.540 175.328 -0.109 0.000 1.126 219 H CA -0.421 55.503 56.048 -0.205 0.000 1.097 219 H CB 1.072 30.669 29.762 -0.275 0.000 1.626 219 H HN 0.314 nan 8.280 nan 0.000 0.565 220 D N 0.347 120.746 120.400 -0.001 0.000 2.454 220 D HA 0.383 5.024 4.640 0.002 0.000 0.247 220 D C 1.166 177.472 176.300 0.011 0.000 1.129 220 D CA -0.345 53.666 54.000 0.019 0.000 0.877 220 D CB 1.137 41.953 40.800 0.026 0.000 1.082 220 D HN 0.108 nan 8.370 nan 0.000 0.537 221 A N 3.670 126.499 122.820 0.015 0.000 1.948 221 A HA -0.090 4.231 4.320 0.002 0.000 0.220 221 A C 2.139 179.749 177.584 0.043 0.000 1.177 221 A CA 2.002 54.054 52.037 0.025 0.000 0.636 221 A CB -0.693 18.316 19.000 0.015 0.000 0.815 221 A HN 0.645 nan 8.150 nan 0.000 0.449 222 A N -0.812 122.030 122.820 0.037 0.000 1.902 222 A HA -0.098 4.223 4.320 0.002 0.000 0.217 222 A C 2.494 180.110 177.584 0.052 0.000 1.181 222 A CA 2.202 54.266 52.037 0.045 0.000 0.623 222 A CB -0.941 18.080 19.000 0.035 0.000 0.818 222 A HN 0.667 nan 8.150 nan 0.000 0.443 223 S N -0.338 115.386 115.700 0.040 0.000 2.368 223 S HA -0.117 4.354 4.470 0.002 0.000 0.225 223 S C 1.918 176.545 174.600 0.046 0.000 1.030 223 S CA 1.407 59.629 58.200 0.035 0.000 0.999 223 S CB -0.548 62.664 63.200 0.019 0.000 0.844 223 S HN 0.484 nan 8.310 nan 0.000 0.459 224 I N 1.250 121.852 120.570 0.054 0.000 2.179 224 I HA -0.160 4.011 4.170 0.002 0.000 0.242 224 I C 2.659 178.852 176.117 0.127 0.000 1.088 224 I CA 1.522 62.874 61.300 0.087 0.000 1.357 224 I CB -0.358 37.696 38.000 0.091 0.000 1.051 224 I HN 0.343 nan 8.210 nan 0.000 0.409 225 K N 1.271 121.763 120.400 0.153 0.000 2.026 225 K HA -0.185 4.137 4.320 0.002 0.000 0.208 225 K C 2.322 179.034 176.600 0.187 0.000 1.048 225 K CA 1.487 57.920 56.287 0.244 0.000 0.929 225 K CB -0.023 32.609 32.500 0.220 0.000 0.713 225 K HN 0.165 nan 8.250 nan 0.000 0.439 226 R N -0.167 120.404 120.500 0.118 0.000 2.120 226 R HA -0.070 4.271 4.340 0.002 0.000 0.234 226 R C 2.350 178.687 176.300 0.062 0.000 1.123 226 R CA 1.127 57.282 56.100 0.091 0.000 0.975 226 R CB -0.276 30.064 30.300 0.066 0.000 0.866 226 R HN 0.257 nan 8.270 nan 0.000 0.446 227 A N 0.620 123.466 122.820 0.042 0.000 1.898 227 A HA -0.101 4.220 4.320 0.002 0.000 0.216 227 A C 2.311 179.876 177.584 -0.032 0.000 1.181 227 A CA 1.286 53.329 52.037 0.009 0.000 0.620 227 A CB -0.436 18.557 19.000 -0.011 0.000 0.819 227 A HN 0.108 nan 8.150 nan 0.000 0.442 228 V N 0.176 120.039 119.914 -0.084 0.000 2.343 228 V HA -0.278 3.843 4.120 0.002 0.000 0.247 228 V C 2.370 178.311 176.094 -0.255 0.000 1.051 228 V CA 2.276 64.413 62.300 -0.272 0.000 1.036 228 V CB -0.951 30.508 31.823 -0.606 0.000 0.654 228 V HN 0.635 nan 8.190 nan 0.000 0.451 229 E N 0.030 120.175 120.200 -0.092 0.000 2.085 229 E HA -0.294 4.057 4.350 0.002 0.000 0.194 229 E C 2.271 178.884 176.600 0.023 0.000 0.994 229 E CA 1.556 57.974 56.400 0.029 0.000 0.801 229 E CB -0.156 29.624 29.700 0.134 0.000 0.743 229 E HN 0.762 nan 8.360 nan 0.000 0.453 230 E N 0.788 121.011 120.200 0.038 0.000 2.077 230 E HA -0.197 4.154 4.350 0.002 0.000 0.193 230 E C 2.018 178.648 176.600 0.050 0.000 0.989 230 E CA 1.051 57.484 56.400 0.054 0.000 0.800 230 E CB -0.074 29.689 29.700 0.104 0.000 0.746 230 E HN 0.216 nan 8.360 nan 0.000 0.452 231 A N 1.167 124.044 122.820 0.095 0.000 1.930 231 A HA -0.129 4.193 4.320 0.002 0.000 0.217 231 A C 2.167 179.776 177.584 0.042 0.000 1.175 231 A CA 1.375 53.491 52.037 0.132 0.000 0.627 231 A CB -0.406 18.643 19.000 0.082 0.000 0.815 231 A HN 0.202 nan 8.150 nan 0.000 0.443 232 R N -0.536 119.966 120.500 0.003 0.000 2.189 232 R HA 0.048 4.389 4.340 0.002 0.000 0.218 232 R C 2.066 178.413 176.300 0.079 0.000 1.074 232 R CA 0.898 57.024 56.100 0.043 0.000 0.991 232 R CB -0.287 29.968 30.300 -0.074 0.000 0.883 232 R HN 0.483 nan 8.270 nan 0.000 0.457 233 A N 0.648 123.483 122.820 0.024 0.000 2.169 233 A HA 0.074 4.395 4.320 0.002 0.000 0.212 233 A C 0.738 178.296 177.584 -0.043 0.000 1.153 233 A CA 0.184 52.226 52.037 0.009 0.000 0.756 233 A CB 0.472 19.472 19.000 -0.001 0.000 0.813 233 A HN 0.014 nan 8.150 nan 0.000 0.471 234 V N 1.958 121.812 119.914 -0.100 0.000 2.353 234 V HA 0.141 4.262 4.120 0.002 0.000 0.264 234 V C 1.493 177.535 176.094 -0.087 0.000 1.049 234 V CA 0.718 62.919 62.300 -0.165 0.000 0.896 234 V CB 0.411 32.002 31.823 -0.387 0.000 1.025 234 V HN 0.611 nan 8.190 nan 0.000 0.475 235 T N -0.918 113.596 114.554 -0.066 0.000 3.060 235 T HA 0.005 4.356 4.350 0.002 0.000 0.249 235 T C 0.844 175.494 174.700 -0.084 0.000 1.079 235 T CA 0.517 62.581 62.100 -0.060 0.000 1.013 235 T CB -0.059 68.783 68.868 -0.042 0.000 0.975 235 T HN 0.684 nan 8.240 nan 0.000 0.518 236 D N 0.236 120.586 120.400 -0.084 0.000 2.431 236 D HA 0.207 4.849 4.640 0.002 0.000 0.213 236 D C 0.156 176.398 176.300 -0.097 0.000 1.130 236 D CA -0.322 53.627 54.000 -0.084 0.000 0.834 236 D CB 0.230 40.993 40.800 -0.061 0.000 0.985 236 D HN 0.339 nan 8.370 nan 0.000 0.504 237 K N 0.875 121.209 120.400 -0.111 0.000 2.498 237 K HA 0.421 4.742 4.320 0.002 0.000 0.254 237 K C -2.934 173.534 176.600 -0.218 0.000 0.933 237 K CA -1.952 54.252 56.287 -0.137 0.000 0.806 237 K CB 2.920 35.405 32.500 -0.024 0.000 1.301 237 K HN -0.163 nan 8.250 nan 0.000 0.432 238 P HA 0.064 nan 4.420 nan 0.000 0.269 238 P C -0.833 176.249 177.300 -0.364 0.000 1.215 238 P CA -0.283 62.407 63.100 -0.684 0.000 0.780 238 P CB 0.772 31.554 31.700 -1.531 0.000 0.898 239 S N 0.973 116.614 115.700 -0.098 0.000 2.503 239 S HA 0.555 5.026 4.470 0.002 0.000 0.301 239 S C -0.623 174.178 174.600 0.336 0.000 1.087 239 S CA -0.505 57.820 58.200 0.208 0.000 1.042 239 S CB 0.900 64.235 63.200 0.225 0.000 1.043 239 S HN 0.376 nan 8.310 nan 0.000 0.489 240 L N 3.507 124.907 121.223 0.294 0.000 2.319 240 L HA 0.609 4.950 4.340 0.002 0.000 0.281 240 L C -1.774 175.028 176.870 -0.113 0.000 1.005 240 L CA -0.556 54.333 54.840 0.081 0.000 0.828 240 L CB 0.899 42.847 42.059 -0.185 0.000 1.227 240 L HN 0.478 nan 8.230 nan 0.000 0.415 241 L N 6.163 127.287 121.223 -0.165 0.000 2.259 241 L HA 0.465 4.806 4.340 0.002 0.000 0.288 241 L C -0.095 176.731 176.870 -0.074 0.000 1.051 241 L CA 0.241 54.969 54.840 -0.187 0.000 0.824 241 L CB 1.109 42.936 42.059 -0.387 0.000 1.206 241 L HN 0.622 nan 8.230 nan 0.000 0.429 242 M N 3.406 122.977 119.600 -0.049 0.000 2.094 242 M HA 0.248 4.729 4.480 0.002 0.000 0.348 242 M C -0.864 175.396 176.300 -0.066 0.000 1.267 242 M CA -0.030 55.274 55.300 0.008 0.000 1.125 242 M CB 0.431 33.048 32.600 0.029 0.000 1.527 242 M HN 0.494 nan 8.290 nan 0.000 0.447 243 C N 3.527 122.759 119.300 -0.114 0.000 2.273 243 C HA 0.345 4.807 4.460 0.002 0.000 0.328 243 C C 0.543 175.407 174.990 -0.209 0.000 1.275 243 C CA -1.085 57.848 59.018 -0.142 0.000 1.704 243 C CB 0.146 27.807 27.740 -0.133 0.000 2.326 243 C HN 0.701 nan 8.230 nan 0.000 0.517 244 K N 2.781 123.081 120.400 -0.167 0.000 2.310 244 K HA 0.408 4.729 4.320 0.002 0.000 0.290 244 K C 0.636 177.133 176.600 -0.172 0.000 1.077 244 K CA 0.280 56.481 56.287 -0.143 0.000 0.922 244 K CB 0.586 33.041 32.500 -0.075 0.000 1.057 244 K HN 0.898 nan 8.250 nan 0.000 0.479 245 T N -0.392 114.076 114.554 -0.142 0.000 2.907 245 T HA 0.606 4.958 4.350 0.002 0.000 0.290 245 T C -0.093 174.722 174.700 0.191 0.000 1.066 245 T CA -0.948 61.096 62.100 -0.094 0.000 1.012 245 T CB 0.957 69.725 68.868 -0.168 0.000 1.184 245 T HN 0.280 nan 8.240 nan 0.000 0.522 246 I N 1.511 122.386 120.570 0.509 0.000 2.355 246 I HA 0.393 4.564 4.170 0.002 0.000 0.288 246 I C 0.113 176.384 176.117 0.256 0.000 0.999 246 I CA -1.069 60.423 61.300 0.320 0.000 1.163 246 I CB 1.479 39.670 38.000 0.319 0.000 1.316 246 I HN 0.660 nan 8.210 nan 0.000 0.454 247 I N 6.202 126.869 120.570 0.163 0.000 2.710 247 I HA 0.144 4.315 4.170 0.002 0.000 0.286 247 I C 1.328 177.520 176.117 0.124 0.000 1.181 247 I CA 1.031 62.417 61.300 0.143 0.000 1.430 247 I CB 0.614 38.694 38.000 0.133 0.000 1.367 247 I HN 0.927 nan 8.210 nan 0.000 0.577 248 G N 5.804 114.674 108.800 0.117 0.000 2.176 248 G HA2 -0.345 3.616 3.960 0.002 0.000 0.252 248 G HA3 -0.345 3.616 3.960 0.002 0.000 0.252 248 G C 0.210 175.156 174.900 0.076 0.000 1.024 248 G CA 0.100 45.245 45.100 0.075 0.000 0.755 248 G HN 0.700 nan 8.290 nan 0.000 0.507 249 F N 0.848 120.777 119.950 -0.036 0.000 2.604 249 F HA 0.334 4.862 4.527 0.002 0.000 0.393 249 F C 1.565 177.302 175.800 -0.105 0.000 1.043 249 F CA 1.940 59.873 58.000 -0.112 0.000 1.227 249 F CB 0.347 39.216 39.000 -0.219 0.000 1.016 249 F HN 1.122 nan 8.300 nan 0.000 0.556 250 G N 2.997 111.410 108.800 -0.645 0.000 2.259 250 G HA2 -0.240 3.721 3.960 0.002 0.000 0.217 250 G HA3 -0.240 3.721 3.960 0.002 0.000 0.217 250 G C 0.331 175.099 174.900 -0.220 0.000 1.001 250 G CA 0.036 44.903 45.100 -0.388 0.000 0.627 250 G HN 1.090 nan 8.290 nan 0.000 0.501 251 S N 2.244 117.848 115.700 -0.160 0.000 2.448 251 S HA 0.570 5.041 4.470 0.002 0.000 0.279 251 S C -0.283 174.251 174.600 -0.111 0.000 1.195 251 S CA -0.506 57.632 58.200 -0.104 0.000 1.051 251 S CB 1.532 64.693 63.200 -0.065 0.000 0.948 251 S HN 0.098 nan 8.310 nan 0.000 0.493 252 P HA -0.046 nan 4.420 nan 0.000 0.217 252 P C 0.732 177.995 177.300 -0.063 0.000 1.150 252 P CA 1.194 64.243 63.100 -0.084 0.000 0.832 252 P CB 0.112 31.772 31.700 -0.065 0.000 0.787 253 N N -1.193 117.477 118.700 -0.050 0.000 2.388 253 N HA 0.051 4.792 4.740 0.002 0.000 0.176 253 N C 1.202 176.691 175.510 -0.035 0.000 1.062 253 N CA 0.594 53.621 53.050 -0.037 0.000 0.895 253 N CB 0.311 38.779 38.487 -0.031 0.000 1.018 253 N HN 0.267 nan 8.380 nan 0.000 0.456 254 K N 0.314 120.689 120.400 -0.040 0.000 2.402 254 K HA 0.301 4.622 4.320 0.002 0.000 0.203 254 K C 0.242 176.828 176.600 -0.024 0.000 1.077 254 K CA -0.206 56.059 56.287 -0.036 0.000 1.051 254 K CB 1.364 33.841 32.500 -0.038 0.000 0.907 254 K HN -0.045 nan 8.250 nan 0.000 0.554 255 A N 0.948 123.747 122.820 -0.036 0.000 2.498 255 A HA 0.394 4.715 4.320 0.002 0.000 0.239 255 A C 1.203 178.792 177.584 0.009 0.000 1.068 255 A CA 1.051 53.075 52.037 -0.022 0.000 0.766 255 A CB -0.419 18.531 19.000 -0.083 0.000 1.003 255 A HN 0.528 nan 8.150 nan 0.000 0.497 256 G N 1.173 110.000 108.800 0.044 0.000 2.148 256 G HA2 -0.119 3.842 3.960 0.002 0.000 0.254 256 G HA3 -0.119 3.842 3.960 0.002 0.000 0.254 256 G C 0.457 175.394 174.900 0.062 0.000 0.981 256 G CA 1.310 46.450 45.100 0.067 0.000 0.670 256 G HN 2.326 nan 8.290 nan 0.000 0.528 257 T N -3.413 111.162 114.554 0.035 0.000 2.930 257 T HA 0.630 4.981 4.350 0.002 0.000 0.290 257 T C 1.224 175.932 174.700 0.014 0.000 1.052 257 T CA 0.210 62.320 62.100 0.016 0.000 1.017 257 T CB 1.406 70.249 68.868 -0.041 0.000 1.137 257 T HN 0.675 nan 8.240 nan 0.000 0.511 258 H N -0.047 119.020 119.070 -0.006 0.000 2.555 258 H HA 0.090 4.647 4.556 0.002 0.000 0.269 258 H C 0.407 175.785 175.328 0.082 0.000 0.988 258 H CA 0.978 57.049 56.048 0.038 0.000 1.178 258 H CB -0.521 29.247 29.762 0.010 0.000 1.373 258 H HN 0.702 nan 8.280 nan 0.000 0.588 259 D N 1.166 121.327 120.400 -0.398 0.000 2.264 259 D HA -0.129 4.512 4.640 0.002 0.000 0.208 259 D C 1.966 178.234 176.300 -0.053 0.000 0.966 259 D CA 1.608 55.474 54.000 -0.222 0.000 0.864 259 D CB 0.135 40.808 40.800 -0.211 0.000 0.933 259 D HN 0.523 nan 8.370 nan 0.000 0.499 260 S N -1.103 114.595 115.700 -0.004 0.000 2.593 260 S HA -0.031 4.440 4.470 0.002 0.000 0.217 260 S C 1.596 176.248 174.600 0.087 0.000 0.966 260 S CA -0.067 58.151 58.200 0.029 0.000 0.914 260 S CB -0.188 63.031 63.200 0.031 0.000 0.776 260 S HN 0.366 nan 8.310 nan 0.000 0.523 261 H N 2.394 121.502 119.070 0.064 0.000 2.270 261 H HA 0.147 4.704 4.556 0.002 0.000 0.299 261 H C 1.601 177.027 175.328 0.163 0.000 1.077 261 H CA 2.078 58.207 56.048 0.135 0.000 1.294 261 H CB -0.605 29.239 29.762 0.136 0.000 1.371 261 H HN 0.452 nan 8.280 nan 0.000 0.491 262 G N -1.361 107.382 108.800 -0.095 0.000 4.238 262 G HA2 0.599 4.560 3.960 0.002 0.000 0.292 262 G HA3 0.599 4.560 3.960 0.002 0.000 0.292 262 G C -0.818 173.925 174.900 -0.261 0.000 1.036 262 G CA 0.272 45.166 45.100 -0.342 0.000 0.812 262 G HN 0.661 nan 8.290 nan 0.000 0.489 263 A N 0.228 122.968 122.820 -0.135 0.000 2.556 263 A HA 0.907 5.229 4.320 0.002 0.000 0.294 263 A C -3.072 174.476 177.584 -0.060 0.000 1.091 263 A CA -1.435 50.546 52.037 -0.095 0.000 0.704 263 A CB 1.445 20.417 19.000 -0.048 0.000 1.300 263 A HN 0.004 nan 8.150 nan 0.000 0.406 264 P HA 0.133 nan 4.420 nan 0.000 0.265 264 P C 0.777 178.065 177.300 -0.020 0.000 1.187 264 P CA 0.016 63.106 63.100 -0.016 0.000 0.766 264 P CB 0.384 32.084 31.700 -0.000 0.000 0.820 265 L N 1.411 122.622 121.223 -0.021 0.000 2.141 265 L HA 0.048 4.389 4.340 0.002 0.000 0.209 265 L C 1.181 178.038 176.870 -0.021 0.000 1.094 265 L CA 1.327 56.153 54.840 -0.024 0.000 0.763 265 L CB -0.966 41.075 42.059 -0.029 0.000 0.908 265 L HN 0.749 nan 8.230 nan 0.000 0.437 266 G N -0.432 108.359 108.800 -0.015 0.000 2.770 266 G HA2 -0.162 3.799 3.960 0.002 0.000 0.686 266 G HA3 -0.162 3.799 3.960 0.002 0.000 0.686 266 G C -0.251 174.642 174.900 -0.011 0.000 1.180 266 G CA -0.356 44.737 45.100 -0.011 0.000 0.767 266 G HN 0.009 nan 8.290 nan 0.000 0.646 267 D N 0.735 121.132 120.400 -0.005 0.000 2.123 267 D HA -0.102 4.539 4.640 0.002 0.000 0.196 267 D C 2.738 179.033 176.300 -0.008 0.000 0.992 267 D CA 2.090 56.087 54.000 -0.004 0.000 0.833 267 D CB -0.245 40.556 40.800 0.002 0.000 0.954 267 D HN 0.874 nan 8.370 nan 0.000 0.455 268 A N 0.829 123.644 122.820 -0.008 0.000 1.902 268 A HA -0.200 4.122 4.320 0.002 0.000 0.217 268 A C 2.145 179.720 177.584 -0.014 0.000 1.181 268 A CA 1.810 53.841 52.037 -0.010 0.000 0.623 268 A CB -0.448 18.546 19.000 -0.009 0.000 0.818 268 A HN 0.136 nan 8.150 nan 0.000 0.443 269 E N 0.141 120.330 120.200 -0.018 0.000 2.150 269 E HA -0.076 4.275 4.350 0.002 0.000 0.193 269 E C 1.655 178.239 176.600 -0.026 0.000 0.985 269 E CA 1.016 57.401 56.400 -0.024 0.000 0.814 269 E CB -0.375 29.309 29.700 -0.026 0.000 0.752 269 E HN 0.633 nan 8.360 nan 0.000 0.466 270 I N 0.277 120.833 120.570 -0.024 0.000 2.226 270 I HA -0.275 3.897 4.170 0.002 0.000 0.245 270 I C 2.297 178.406 176.117 -0.013 0.000 1.100 270 I CA 1.024 62.309 61.300 -0.026 0.000 1.374 270 I CB -0.341 37.641 38.000 -0.030 0.000 1.057 270 I HN 0.209 nan 8.210 nan 0.000 0.413 271 A N 0.900 123.715 122.820 -0.009 0.000 1.902 271 A HA -0.171 4.150 4.320 0.002 0.000 0.217 271 A C 2.275 179.855 177.584 -0.006 0.000 1.181 271 A CA 1.427 53.463 52.037 -0.003 0.000 0.623 271 A CB -0.831 18.166 19.000 -0.005 0.000 0.818 271 A HN 0.388 nan 8.150 nan 0.000 0.443 272 L N -0.824 120.390 121.223 -0.014 0.000 2.093 272 L HA -0.150 4.191 4.340 0.002 0.000 0.208 272 L C 2.761 179.617 176.870 -0.024 0.000 1.085 272 L CA 1.708 56.536 54.840 -0.020 0.000 0.755 272 L CB -1.005 41.038 42.059 -0.027 0.000 0.904 272 L HN 0.344 nan 8.230 nan 0.000 0.435 273 T N -0.776 113.762 114.554 -0.026 0.000 2.746 273 T HA -0.174 4.177 4.350 0.002 0.000 0.267 273 T C 2.058 176.759 174.700 0.002 0.000 1.039 273 T CA 1.114 63.194 62.100 -0.032 0.000 1.142 273 T CB -0.169 68.675 68.868 -0.041 0.000 0.866 273 T HN 0.247 nan 8.240 nan 0.000 0.444 274 R N 0.785 121.303 120.500 0.030 0.000 2.091 274 R HA -0.099 4.242 4.340 0.002 0.000 0.238 274 R C 2.552 178.897 176.300 0.076 0.000 1.136 274 R CA 1.504 57.663 56.100 0.097 0.000 0.959 274 R CB -0.157 30.206 30.300 0.106 0.000 0.856 274 R HN 0.541 nan 8.270 nan 0.000 0.437 275 E N -0.002 120.214 120.200 0.026 0.000 2.106 275 E HA -0.244 4.107 4.350 0.002 0.000 0.192 275 E C 2.044 178.647 176.600 0.004 0.000 0.984 275 E CA 1.024 57.429 56.400 0.007 0.000 0.806 275 E CB 0.052 29.746 29.700 -0.009 0.000 0.750 275 E HN 0.319 nan 8.360 nan 0.000 0.458 276 Q N 0.752 120.546 119.800 -0.010 0.000 2.119 276 Q HA -0.118 4.223 4.340 0.002 0.000 0.201 276 Q C 2.017 178.014 176.000 -0.005 0.000 0.972 276 Q CA 1.009 56.794 55.803 -0.031 0.000 0.847 276 Q CB 0.065 28.758 28.738 -0.074 0.000 0.903 276 Q HN 0.250 nan 8.270 nan 0.000 0.433 277 L N -0.755 120.488 121.223 0.034 0.000 2.395 277 L HA 0.121 4.462 4.340 0.002 0.000 0.218 277 L C 1.251 178.203 176.870 0.135 0.000 1.130 277 L CA 0.520 55.419 54.840 0.098 0.000 0.826 277 L CB -0.194 41.949 42.059 0.140 0.000 0.941 277 L HN 0.582 nan 8.230 nan 0.000 0.451 278 G N -0.941 107.921 108.800 0.103 0.000 2.160 278 G HA2 -0.287 3.674 3.960 0.002 0.000 0.244 278 G HA3 -0.287 3.674 3.960 0.002 0.000 0.244 278 G C -0.116 174.861 174.900 0.129 0.000 1.022 278 G CA -0.273 44.875 45.100 0.079 0.000 0.741 278 G HN 0.415 nan 8.290 nan 0.000 0.508 279 W N 1.106 122.391 121.300 -0.025 0.000 2.308 279 W HA 0.560 5.221 4.660 0.002 0.000 0.311 279 W C 0.190 176.644 176.519 -0.108 0.000 1.088 279 W CA -0.923 56.414 57.345 -0.013 0.000 1.309 279 W CB 0.756 30.233 29.460 0.029 0.000 1.229 279 W HN -0.053 nan 8.180 nan 0.000 0.427 280 K N 4.896 124.863 120.400 -0.721 0.000 2.404 280 K HA 0.002 4.323 4.320 0.002 0.000 0.194 280 K C -0.380 175.713 176.600 -0.845 0.000 1.023 280 K CA 0.222 56.069 56.287 -0.732 0.000 1.094 280 K CB -0.081 31.949 32.500 -0.784 0.000 0.841 280 K HN 0.323 nan 8.250 nan 0.000 0.523 281 Y N 0.739 120.680 120.300 -0.599 0.000 2.301 281 Y HA 0.367 4.918 4.550 0.002 0.000 0.325 281 Y C 0.997 176.893 175.900 -0.006 0.000 1.203 281 Y CA -1.142 56.781 58.100 -0.296 0.000 1.255 281 Y CB 0.526 38.761 38.460 -0.375 0.000 1.232 281 Y HN -0.084 nan 8.280 nan 0.000 0.501 282 A N 3.887 126.802 122.820 0.158 0.000 2.366 282 A HA 0.369 4.690 4.320 0.002 0.000 0.250 282 A C -2.444 175.217 177.584 0.128 0.000 1.099 282 A CA -1.469 50.640 52.037 0.119 0.000 0.794 282 A CB -0.593 18.467 19.000 0.099 0.000 1.056 282 A HN 0.546 nan 8.150 nan 0.000 0.499 283 P HA 0.205 nan 4.420 nan 0.000 0.262 283 P C -0.443 176.803 177.300 -0.090 0.000 1.182 283 P CA 0.597 63.586 63.100 -0.185 0.000 0.761 283 P CB -0.216 31.375 31.700 -0.182 0.000 0.795 284 F N -0.136 119.865 119.950 0.085 0.000 3.034 284 F HA -0.221 4.308 4.527 0.002 0.000 0.286 284 F C 0.496 176.351 175.800 0.091 0.000 0.804 284 F CA 0.799 58.830 58.000 0.053 0.000 1.161 284 F CB -2.307 36.703 39.000 0.017 0.000 1.317 284 F HN 0.389 nan 8.300 nan 0.000 0.453 285 E N 1.174 121.502 120.200 0.212 0.000 2.129 285 E HA 0.541 4.892 4.350 0.002 0.000 0.268 285 E C -0.304 176.360 176.600 0.107 0.000 0.900 285 E CA -0.654 55.853 56.400 0.178 0.000 0.755 285 E CB 1.604 31.410 29.700 0.177 0.000 1.117 285 E HN -0.005 nan 8.360 nan 0.000 0.410 286 I N 5.249 125.842 120.570 0.037 0.000 2.418 286 I HA 0.288 4.460 4.170 0.002 0.000 0.287 286 I C -2.155 173.819 176.117 -0.238 0.000 1.008 286 I CA -2.763 58.431 61.300 -0.176 0.000 1.104 286 I CB 1.169 38.919 38.000 -0.416 0.000 1.264 286 I HN 0.263 nan 8.210 nan 0.000 0.438 287 P HA 0.180 nan 4.420 nan 0.000 0.272 287 P C 0.906 178.175 177.300 -0.052 0.000 1.223 287 P CA -0.102 62.829 63.100 -0.281 0.000 0.784 287 P CB 1.006 32.414 31.700 -0.486 0.000 0.923 288 S N 0.500 116.242 115.700 0.070 0.000 2.372 288 S HA -0.237 4.234 4.470 0.002 0.000 0.227 288 S C 1.677 176.351 174.600 0.124 0.000 1.044 288 S CA 1.706 59.999 58.200 0.155 0.000 1.050 288 S CB -0.550 62.703 63.200 0.089 0.000 0.901 288 S HN 0.678 nan 8.310 nan 0.000 0.447 289 E N -0.063 120.167 120.200 0.050 0.000 2.160 289 E HA -0.145 4.206 4.350 0.002 0.000 0.195 289 E C 1.800 178.435 176.600 0.059 0.000 0.991 289 E CA 1.037 57.464 56.400 0.045 0.000 0.810 289 E CB -0.019 29.692 29.700 0.018 0.000 0.742 289 E HN 0.412 nan 8.360 nan 0.000 0.466 290 I N 0.237 120.827 120.570 0.034 0.000 2.277 290 I HA -0.208 3.963 4.170 0.002 0.000 0.243 290 I C 1.991 178.213 176.117 0.175 0.000 1.094 290 I CA 1.050 62.403 61.300 0.088 0.000 1.393 290 I CB -1.295 36.729 38.000 0.040 0.000 1.078 290 I HN 0.182 nan 8.210 nan 0.000 0.417 291 Y N 1.583 121.973 120.300 0.149 0.000 2.165 291 Y HA -0.210 4.341 4.550 0.002 0.000 0.286 291 Y C 2.737 178.718 175.900 0.134 0.000 1.155 291 Y CA 1.518 59.703 58.100 0.141 0.000 1.164 291 Y CB -1.037 37.457 38.460 0.057 0.000 0.978 291 Y HN 0.150 nan 8.280 nan 0.000 0.513 292 A N -0.335 122.632 122.820 0.245 0.000 1.978 292 A HA -0.257 4.064 4.320 0.002 0.000 0.220 292 A C 2.068 179.721 177.584 0.114 0.000 1.170 292 A CA 1.926 54.050 52.037 0.145 0.000 0.636 292 A CB -0.593 18.461 19.000 0.090 0.000 0.810 292 A HN 0.585 nan 8.150 nan 0.000 0.448 293 Q N -2.673 117.187 119.800 0.100 0.000 2.269 293 Q HA -0.085 4.256 4.340 0.002 0.000 0.201 293 Q C 1.721 177.720 176.000 -0.002 0.000 0.946 293 Q CA 0.843 56.649 55.803 0.006 0.000 0.877 293 Q CB -0.069 28.629 28.738 -0.067 0.000 0.963 293 Q HN 0.892 nan 8.270 nan 0.000 0.472 294 W N 1.298 122.641 121.300 0.072 0.000 2.576 294 W HA 0.013 4.674 4.660 0.002 0.000 0.275 294 W C 0.418 177.006 176.519 0.115 0.000 1.241 294 W CA -0.356 57.043 57.345 0.089 0.000 1.328 294 W CB 0.399 29.905 29.460 0.076 0.000 1.092 294 W HN 0.024 nan 8.180 nan 0.000 0.586 295 D N -0.236 120.371 120.400 0.345 0.000 2.488 295 D HA 0.175 4.816 4.640 0.002 0.000 0.238 295 D C 0.639 177.035 176.300 0.161 0.000 1.138 295 D CA 0.676 54.810 54.000 0.224 0.000 0.873 295 D CB 1.164 42.043 40.800 0.132 0.000 1.183 295 D HN 0.036 nan 8.370 nan 0.000 0.458 296 A N 3.472 126.364 122.820 0.119 0.000 2.589 296 A HA 0.129 4.450 4.320 0.002 0.000 0.283 296 A C 1.454 178.983 177.584 -0.091 0.000 1.187 296 A CA -0.375 51.678 52.037 0.027 0.000 0.957 296 A CB 0.148 19.162 19.000 0.023 0.000 1.175 296 A HN 0.580 nan 8.150 nan 0.000 0.532 297 K N 0.353 120.710 120.400 -0.072 0.000 2.057 297 K HA -0.117 4.204 4.320 0.002 0.000 0.206 297 K C 1.459 177.997 176.600 -0.103 0.000 1.050 297 K CA 1.622 57.840 56.287 -0.114 0.000 0.935 297 K CB 0.035 32.480 32.500 -0.092 0.000 0.715 297 K HN 0.604 nan 8.250 nan 0.000 0.439 298 E N 0.613 120.773 120.200 -0.067 0.000 2.047 298 E HA -0.141 4.210 4.350 0.002 0.000 0.191 298 E C 2.104 178.662 176.600 -0.069 0.000 0.987 298 E CA 0.978 57.342 56.400 -0.061 0.000 0.799 298 E CB -0.084 29.594 29.700 -0.037 0.000 0.752 298 E HN 0.297 nan 8.360 nan 0.000 0.449 299 A N 1.225 124.009 122.820 -0.060 0.000 1.933 299 A HA -0.091 4.230 4.320 0.002 0.000 0.218 299 A C 2.395 179.924 177.584 -0.091 0.000 1.175 299 A CA 1.658 53.663 52.037 -0.055 0.000 0.628 299 A CB -1.067 17.916 19.000 -0.027 0.000 0.814 299 A HN 0.356 nan 8.150 nan 0.000 0.444 300 G N -0.728 107.982 108.800 -0.149 0.000 2.418 300 G HA2 -0.286 3.675 3.960 0.002 0.000 0.217 300 G HA3 -0.286 3.675 3.960 0.002 0.000 0.217 300 G C 1.640 176.389 174.900 -0.251 0.000 1.158 300 G CA 1.120 46.090 45.100 -0.216 0.000 0.771 300 G HN 0.648 nan 8.290 nan 0.000 0.545 301 Q N 0.168 119.847 119.800 -0.202 0.000 2.119 301 Q HA 0.071 4.412 4.340 0.002 0.000 0.201 301 Q C 2.746 178.638 176.000 -0.182 0.000 0.972 301 Q CA 1.419 57.101 55.803 -0.202 0.000 0.847 301 Q CB -0.309 28.343 28.738 -0.143 0.000 0.903 301 Q HN 0.379 nan 8.270 nan 0.000 0.433 302 A N 1.282 124.026 122.820 -0.126 0.000 1.877 302 A HA -0.209 4.112 4.320 0.002 0.000 0.216 302 A C 1.975 179.506 177.584 -0.088 0.000 1.186 302 A CA 1.744 53.730 52.037 -0.084 0.000 0.620 302 A CB -0.372 18.601 19.000 -0.046 0.000 0.822 302 A HN 0.374 nan 8.150 nan 0.000 0.443 303 K N -0.653 119.684 120.400 -0.104 0.000 2.025 303 K HA -0.156 4.165 4.320 0.002 0.000 0.207 303 K C 2.156 178.606 176.600 -0.250 0.000 1.049 303 K CA 1.494 57.750 56.287 -0.051 0.000 0.933 303 K CB -0.150 32.403 32.500 0.089 0.000 0.714 303 K HN 0.685 nan 8.250 nan 0.000 0.438 304 E N 0.716 120.490 120.200 -0.709 0.000 2.106 304 E HA -0.135 4.216 4.350 0.002 0.000 0.192 304 E C 1.882 178.277 176.600 -0.341 0.000 0.984 304 E CA 0.908 56.657 56.400 -1.083 0.000 0.806 304 E CB 0.148 29.073 29.700 -1.292 0.000 0.750 304 E HN 0.095 nan 8.360 nan 0.000 0.458 305 S N 0.168 115.738 115.700 -0.216 0.000 2.370 305 S HA -0.207 4.264 4.470 0.002 0.000 0.226 305 S C 1.970 176.574 174.600 0.006 0.000 1.033 305 S CA 1.130 59.282 58.200 -0.079 0.000 1.011 305 S CB -0.270 62.888 63.200 -0.070 0.000 0.852 305 S HN 0.494 nan 8.310 nan 0.000 0.457 306 A N -0.198 122.640 122.820 0.030 0.000 1.933 306 A HA -0.152 4.169 4.320 0.002 0.000 0.218 306 A C 1.842 179.529 177.584 0.171 0.000 1.175 306 A CA 1.475 53.565 52.037 0.088 0.000 0.628 306 A CB -0.966 18.095 19.000 0.102 0.000 0.814 306 A HN 0.747 nan 8.150 nan 0.000 0.444 307 W N 1.293 122.635 121.300 0.071 0.000 2.388 307 W HA -0.120 4.542 4.660 0.002 0.000 0.294 307 W C 1.725 178.342 176.519 0.164 0.000 1.212 307 W CA 1.622 59.080 57.345 0.189 0.000 1.271 307 W CB -0.082 29.630 29.460 0.419 0.000 1.126 307 W HN 0.337 nan 8.180 nan 0.000 0.535 308 N N 0.595 119.442 118.700 0.245 0.000 2.166 308 N HA -0.174 4.567 4.740 0.002 0.000 0.186 308 N C 1.483 176.998 175.510 0.008 0.000 1.019 308 N CA 1.864 54.971 53.050 0.095 0.000 0.856 308 N CB -0.612 37.945 38.487 0.117 0.000 0.993 308 N HN 0.431 nan 8.380 nan 0.000 0.426 309 E N 0.716 120.925 120.200 0.015 0.000 2.072 309 E HA -0.177 4.174 4.350 0.002 0.000 0.191 309 E C 1.842 178.421 176.600 -0.035 0.000 0.985 309 E CA 0.869 57.268 56.400 -0.001 0.000 0.801 309 E CB -0.011 29.694 29.700 0.008 0.000 0.750 309 E HN 0.366 nan 8.360 nan 0.000 0.452 310 K N 0.594 120.949 120.400 -0.075 0.000 2.097 310 K HA -0.170 4.151 4.320 0.002 0.000 0.205 310 K C 1.937 178.439 176.600 -0.164 0.000 1.050 310 K CA 1.009 57.231 56.287 -0.108 0.000 0.938 310 K CB -0.208 32.221 32.500 -0.117 0.000 0.718 310 K HN 0.028 nan 8.250 nan 0.000 0.442 311 F N 1.137 120.770 119.950 -0.529 0.000 2.186 311 F HA -0.009 4.519 4.527 0.002 0.000 0.299 311 F C 1.973 177.678 175.800 -0.158 0.000 1.090 311 F CA 1.227 58.912 58.000 -0.525 0.000 1.307 311 F CB -0.329 38.117 39.000 -0.924 0.000 1.019 311 F HN 0.126 nan 8.300 nan 0.000 0.489 312 A N 0.208 123.001 122.820 -0.045 0.000 1.933 312 A HA -0.032 4.289 4.320 0.002 0.000 0.218 312 A C 2.384 179.927 177.584 -0.069 0.000 1.175 312 A CA 1.546 53.559 52.037 -0.040 0.000 0.628 312 A CB -1.431 17.580 19.000 0.019 0.000 0.814 312 A HN 0.445 nan 8.150 nan 0.000 0.444 313 A N -1.566 121.239 122.820 -0.025 0.000 1.930 313 A HA -0.081 4.240 4.320 0.002 0.000 0.217 313 A C 2.114 179.743 177.584 0.075 0.000 1.175 313 A CA 1.545 53.603 52.037 0.035 0.000 0.627 313 A CB -0.752 18.291 19.000 0.072 0.000 0.815 313 A HN 0.719 nan 8.150 nan 0.000 0.443 314 Y N 0.578 120.834 120.300 -0.074 0.000 2.181 314 Y HA -0.061 4.490 4.550 0.002 0.000 0.288 314 Y C 2.540 178.291 175.900 -0.249 0.000 1.146 314 Y CA 1.335 59.360 58.100 -0.125 0.000 1.164 314 Y CB -0.349 37.949 38.460 -0.270 0.000 0.982 314 Y HN 0.291 nan 8.280 nan 0.000 0.515 315 A N 0.069 122.744 122.820 -0.242 0.000 2.067 315 A HA -0.138 4.183 4.320 0.002 0.000 0.219 315 A C 2.235 179.704 177.584 -0.192 0.000 1.158 315 A CA 1.540 53.432 52.037 -0.241 0.000 0.661 315 A CB -0.637 18.210 19.000 -0.255 0.000 0.801 315 A HN 0.520 nan 8.150 nan 0.000 0.452 316 K N -0.414 119.877 120.400 -0.181 0.000 2.116 316 K HA 0.058 4.379 4.320 0.002 0.000 0.203 316 K C 1.962 178.400 176.600 -0.269 0.000 1.052 316 K CA 1.000 57.187 56.287 -0.168 0.000 0.952 316 K CB -0.196 32.236 32.500 -0.113 0.000 0.729 316 K HN 0.357 nan 8.250 nan 0.000 0.446 317 A N -0.176 122.383 122.820 -0.435 0.000 1.984 317 A HA 0.014 4.336 4.320 0.002 0.000 0.214 317 A C 0.123 177.123 177.584 -0.973 0.000 1.173 317 A CA 0.588 52.168 52.037 -0.762 0.000 0.673 317 A CB 0.052 18.395 19.000 -1.096 0.000 0.830 317 A HN 0.326 nan 8.150 nan 0.000 0.453 318 Y N -0.583 119.435 120.300 -0.470 0.000 2.495 318 Y HA 0.291 4.842 4.550 0.002 0.000 0.362 318 Y C -1.946 173.777 175.900 -0.295 0.000 0.956 318 Y CA -2.649 55.179 58.100 -0.453 0.000 1.127 318 Y CB 0.575 38.510 38.460 -0.876 0.000 1.173 318 Y HN 0.205 nan 8.280 nan 0.000 0.639 319 P HA -0.187 nan 4.420 nan 0.000 0.216 319 P C 1.182 178.512 177.300 0.049 0.000 1.150 319 P CA 1.551 64.633 63.100 -0.030 0.000 0.837 319 P CB 0.597 32.273 31.700 -0.039 0.000 0.786 320 Q N 0.298 120.131 119.800 0.055 0.000 2.079 320 Q HA -0.132 4.209 4.340 0.002 0.000 0.200 320 Q C 2.133 178.238 176.000 0.176 0.000 0.974 320 Q CA 1.487 57.347 55.803 0.095 0.000 0.840 320 Q CB -0.894 27.884 28.738 0.068 0.000 0.898 320 Q HN 0.369 nan 8.270 nan 0.000 0.430 321 E N 1.172 121.493 120.200 0.202 0.000 2.077 321 E HA -0.107 4.244 4.350 0.002 0.000 0.193 321 E C 1.921 178.855 176.600 0.556 0.000 0.989 321 E CA 1.338 57.970 56.400 0.387 0.000 0.800 321 E CB -0.362 29.521 29.700 0.305 0.000 0.746 321 E HN 0.377 nan 8.360 nan 0.000 0.452 322 A N 1.035 124.114 122.820 0.433 0.000 1.908 322 A HA -0.145 4.176 4.320 0.002 0.000 0.218 322 A C 2.368 180.217 177.584 0.441 0.000 1.181 322 A CA 1.957 54.239 52.037 0.408 0.000 0.627 322 A CB -0.879 18.169 19.000 0.080 0.000 0.818 322 A HN 0.296 nan 8.150 nan 0.000 0.445 323 A N -0.786 122.214 122.820 0.301 0.000 1.930 323 A HA -0.104 4.217 4.320 0.002 0.000 0.217 323 A C 1.974 179.703 177.584 0.241 0.000 1.175 323 A CA 1.543 53.725 52.037 0.243 0.000 0.627 323 A CB -0.352 18.744 19.000 0.159 0.000 0.815 323 A HN 0.467 nan 8.150 nan 0.000 0.443 324 E N -0.965 119.409 120.200 0.290 0.000 2.072 324 E HA -0.146 4.205 4.350 0.002 0.000 0.191 324 E C 1.739 178.490 176.600 0.251 0.000 0.985 324 E CA 0.940 57.510 56.400 0.282 0.000 0.801 324 E CB -0.431 29.487 29.700 0.363 0.000 0.750 324 E HN 0.683 nan 8.360 nan 0.000 0.452 325 F N 1.999 122.007 119.950 0.098 0.000 2.069 325 F HA -0.234 4.294 4.527 0.002 0.000 0.298 325 F C 2.409 178.142 175.800 -0.111 0.000 1.113 325 F CA 1.887 59.711 58.000 -0.293 0.000 1.214 325 F CB -0.423 38.388 39.000 -0.315 0.000 0.978 325 F HN -0.073 nan 8.300 nan 0.000 0.474 326 T N 0.694 115.372 114.554 0.207 0.000 2.788 326 T HA -0.196 4.155 4.350 0.002 0.000 0.268 326 T C 2.117 176.785 174.700 -0.054 0.000 1.044 326 T CA 1.469 63.599 62.100 0.050 0.000 1.139 326 T CB -0.341 68.649 68.868 0.204 0.000 0.867 326 T HN 0.263 nan 8.240 nan 0.000 0.454 327 R N 0.868 121.366 120.500 -0.003 0.000 2.073 327 R HA -0.032 4.309 4.340 0.002 0.000 0.234 327 R C 2.502 178.742 176.300 -0.100 0.000 1.134 327 R CA 1.313 57.394 56.100 -0.032 0.000 0.952 327 R CB -0.062 30.242 30.300 0.008 0.000 0.850 327 R HN 0.309 nan 8.270 nan 0.000 0.433 328 R N -0.475 119.939 120.500 -0.144 0.000 2.092 328 R HA -0.030 4.311 4.340 0.002 0.000 0.231 328 R C 2.321 178.450 176.300 -0.286 0.000 1.119 328 R CA 1.289 57.265 56.100 -0.207 0.000 0.970 328 R CB -0.140 30.025 30.300 -0.225 0.000 0.864 328 R HN 0.218 nan 8.270 nan 0.000 0.440 329 M N 0.655 120.005 119.600 -0.417 0.000 2.229 329 M HA -0.113 4.368 4.480 0.002 0.000 0.264 329 M C 1.648 177.807 176.300 -0.235 0.000 1.063 329 M CA 1.628 56.680 55.300 -0.413 0.000 1.114 329 M CB -0.390 31.864 32.600 -0.576 0.000 1.387 329 M HN -0.006 nan 8.290 nan 0.000 0.420 330 K N -0.676 119.618 120.400 -0.177 0.000 2.366 330 K HA 0.109 4.430 4.320 0.002 0.000 0.198 330 K C 1.023 177.571 176.600 -0.088 0.000 1.044 330 K CA 0.695 56.917 56.287 -0.108 0.000 0.973 330 K CB -0.051 32.404 32.500 -0.075 0.000 0.767 330 K HN 0.525 nan 8.250 nan 0.000 0.475 331 G N 2.034 110.774 108.800 -0.100 0.000 2.147 331 G HA2 -0.274 3.687 3.960 0.002 0.000 0.244 331 G HA3 -0.274 3.687 3.960 0.002 0.000 0.244 331 G C -0.572 174.282 174.900 -0.076 0.000 1.005 331 G CA -0.012 45.041 45.100 -0.079 0.000 0.713 331 G HN 0.352 nan 8.290 nan 0.000 0.515 332 E N -0.067 120.088 120.200 -0.075 0.000 2.366 332 E HA 0.482 4.833 4.350 0.002 0.000 0.266 332 E C 0.872 177.420 176.600 -0.087 0.000 1.051 332 E CA -0.505 55.855 56.400 -0.066 0.000 0.884 332 E CB 0.508 30.181 29.700 -0.044 0.000 1.006 332 E HN 0.154 nan 8.360 nan 0.000 0.417 333 M N 2.243 121.787 119.600 -0.092 0.000 2.255 333 M HA 0.287 4.768 4.480 0.002 0.000 0.336 333 M C -2.160 174.096 176.300 -0.074 0.000 1.135 333 M CA -2.858 52.360 55.300 -0.136 0.000 1.145 333 M CB -0.467 32.053 32.600 -0.132 0.000 1.473 333 M HN 0.197 nan 8.290 nan 0.000 0.462 334 P HA 0.096 nan 4.420 nan 0.000 0.269 334 P C 0.525 177.844 177.300 0.033 0.000 1.209 334 P CA -0.038 63.056 63.100 -0.010 0.000 0.776 334 P CB 0.299 31.996 31.700 -0.004 0.000 0.876 335 S N 0.849 116.565 115.700 0.026 0.000 2.447 335 S HA -0.149 4.322 4.470 0.002 0.000 0.233 335 S C 1.106 175.724 174.600 0.030 0.000 1.006 335 S CA 1.188 59.404 58.200 0.027 0.000 0.957 335 S CB -0.755 62.456 63.200 0.018 0.000 0.773 335 S HN 0.564 nan 8.310 nan 0.000 0.507 336 D N -0.151 120.268 120.400 0.032 0.000 2.339 336 D HA 0.035 4.676 4.640 0.002 0.000 0.217 336 D C 1.302 177.599 176.300 -0.005 0.000 1.050 336 D CA -0.321 53.684 54.000 0.008 0.000 0.856 336 D CB -0.697 40.104 40.800 0.002 0.000 0.922 336 D HN 0.444 nan 8.370 nan 0.000 0.518 337 F N 2.326 122.213 119.950 -0.106 0.000 2.075 337 F HA -0.168 4.360 4.527 0.002 0.000 0.297 337 F C 1.789 177.491 175.800 -0.163 0.000 1.113 337 F CA 1.905 59.805 58.000 -0.167 0.000 1.218 337 F CB -0.284 38.588 39.000 -0.213 0.000 0.984 337 F HN -0.073 nan 8.300 nan 0.000 0.472 338 D N 0.074 120.352 120.400 -0.204 0.000 2.123 338 D HA -0.212 4.429 4.640 0.002 0.000 0.196 338 D C 2.186 178.318 176.300 -0.280 0.000 0.992 338 D CA 1.573 55.413 54.000 -0.267 0.000 0.833 338 D CB -0.324 40.443 40.800 -0.054 0.000 0.954 338 D HN 0.340 nan 8.370 nan 0.000 0.455 339 A N 0.161 122.870 122.820 -0.186 0.000 1.877 339 A HA -0.164 4.157 4.320 0.002 0.000 0.216 339 A C 2.171 179.664 177.584 -0.153 0.000 1.186 339 A CA 1.668 53.627 52.037 -0.129 0.000 0.620 339 A CB -0.493 18.461 19.000 -0.077 0.000 0.822 339 A HN 0.202 nan 8.150 nan 0.000 0.443 340 K N -0.393 119.878 120.400 -0.215 0.000 2.155 340 K HA 0.095 4.416 4.320 0.002 0.000 0.203 340 K C 2.171 178.650 176.600 -0.200 0.000 1.052 340 K CA 0.940 57.122 56.287 -0.176 0.000 0.948 340 K CB -0.230 32.173 32.500 -0.161 0.000 0.728 340 K HN 0.432 nan 8.250 nan 0.000 0.448 341 A N 1.579 124.102 122.820 -0.495 0.000 1.929 341 A HA -0.145 4.176 4.320 0.002 0.000 0.216 341 A C 1.729 179.288 177.584 -0.041 0.000 1.176 341 A CA 1.280 53.113 52.037 -0.340 0.000 0.628 341 A CB -0.165 18.259 19.000 -0.960 0.000 0.816 341 A HN 0.145 nan 8.150 nan 0.000 0.444 342 K N -0.409 119.922 120.400 -0.114 0.000 2.097 342 K HA -0.152 4.169 4.320 0.002 0.000 0.205 342 K C 2.034 178.632 176.600 -0.002 0.000 1.050 342 K CA 1.334 57.598 56.287 -0.039 0.000 0.938 342 K CB -0.112 32.355 32.500 -0.057 0.000 0.718 342 K HN 0.696 nan 8.250 nan 0.000 0.442 343 E N 0.578 120.781 120.200 0.005 0.000 2.077 343 E HA -0.208 4.143 4.350 0.002 0.000 0.193 343 E C 1.853 178.500 176.600 0.077 0.000 0.989 343 E CA 0.908 57.325 56.400 0.028 0.000 0.800 343 E CB -0.087 29.628 29.700 0.025 0.000 0.746 343 E HN 0.233 nan 8.360 nan 0.000 0.452 344 F N 1.264 121.203 119.950 -0.019 0.000 2.102 344 F HA -0.140 4.388 4.527 0.002 0.000 0.298 344 F C 1.921 177.722 175.800 0.002 0.000 1.105 344 F CA 1.396 59.397 58.000 0.002 0.000 1.239 344 F CB -0.231 38.795 39.000 0.043 0.000 0.991 344 F HN -0.004 nan 8.300 nan 0.000 0.474 345 I N 0.303 120.817 120.570 -0.094 0.000 2.286 345 I HA -0.296 3.875 4.170 0.002 0.000 0.248 345 I C 2.657 178.665 176.117 -0.181 0.000 1.115 345 I CA 1.232 62.413 61.300 -0.199 0.000 1.392 345 I CB -0.844 37.137 38.000 -0.031 0.000 1.065 345 I HN 0.258 nan 8.210 nan 0.000 0.418 346 A N 0.378 123.136 122.820 -0.103 0.000 1.930 346 A HA -0.232 4.089 4.320 0.002 0.000 0.217 346 A C 2.408 179.934 177.584 -0.097 0.000 1.175 346 A CA 1.555 53.544 52.037 -0.079 0.000 0.627 346 A CB -0.456 18.518 19.000 -0.044 0.000 0.815 346 A HN 0.323 nan 8.150 nan 0.000 0.443 347 K N -0.048 120.281 120.400 -0.119 0.000 2.057 347 K HA -0.055 4.266 4.320 0.002 0.000 0.206 347 K C 1.839 178.345 176.600 -0.156 0.000 1.050 347 K CA 1.289 57.510 56.287 -0.110 0.000 0.935 347 K CB -0.301 32.153 32.500 -0.076 0.000 0.715 347 K HN 0.512 nan 8.250 nan 0.000 0.439 348 L N 0.779 121.837 121.223 -0.276 0.000 2.093 348 L HA -0.174 4.167 4.340 0.002 0.000 0.208 348 L C 2.726 179.509 176.870 -0.146 0.000 1.085 348 L CA 1.083 55.772 54.840 -0.252 0.000 0.755 348 L CB -0.430 41.408 42.059 -0.367 0.000 0.904 348 L HN 0.259 nan 8.230 nan 0.000 0.435 349 Q N 0.576 120.300 119.800 -0.126 0.000 2.119 349 Q HA -0.131 4.210 4.340 0.002 0.000 0.201 349 Q C 2.106 178.072 176.000 -0.057 0.000 0.972 349 Q CA 1.867 57.624 55.803 -0.076 0.000 0.847 349 Q CB -0.163 28.538 28.738 -0.062 0.000 0.903 349 Q HN 0.426 nan 8.270 nan 0.000 0.433 350 A N -0.238 122.547 122.820 -0.059 0.000 2.119 350 A HA 0.024 4.345 4.320 0.002 0.000 0.216 350 A C 0.466 178.027 177.584 -0.038 0.000 1.152 350 A CA 0.576 52.588 52.037 -0.041 0.000 0.708 350 A CB 0.027 19.006 19.000 -0.036 0.000 0.805 350 A HN 0.325 nan 8.150 nan 0.000 0.460 351 N N 1.124 119.795 118.700 -0.048 0.000 2.841 351 N HA 0.254 4.995 4.740 0.002 0.000 0.257 351 N C -3.197 172.289 175.510 -0.040 0.000 1.396 351 N CA -1.007 52.020 53.050 -0.038 0.000 0.823 351 N CB 1.150 39.614 38.487 -0.039 0.000 1.162 351 N HN 0.129 nan 8.380 nan 0.000 0.503 352 P HA 0.153 nan 4.420 nan 0.000 0.268 352 P C -0.927 176.359 177.300 -0.023 0.000 1.205 352 P CA -0.105 62.978 63.100 -0.029 0.000 0.771 352 P CB 0.902 32.589 31.700 -0.022 0.000 0.858 353 A N 2.395 125.202 122.820 -0.023 0.000 2.455 353 A HA 0.465 4.786 4.320 0.002 0.000 0.300 353 A C -0.570 177.007 177.584 -0.012 0.000 1.040 353 A CA -0.782 51.246 52.037 -0.015 0.000 0.697 353 A CB 1.198 20.190 19.000 -0.013 0.000 1.265 353 A HN 0.443 nan 8.150 nan 0.000 0.407 354 K N 3.383 123.777 120.400 -0.010 0.000 2.206 354 K HA 0.530 4.851 4.320 0.002 0.000 0.268 354 K C -0.615 175.982 176.600 -0.005 0.000 1.111 354 K CA -0.091 56.190 56.287 -0.011 0.000 0.955 354 K CB -0.346 32.146 32.500 -0.013 0.000 1.406 354 K HN 0.698 nan 8.250 nan 0.000 0.427 355 I N -0.669 119.900 120.570 -0.002 0.000 3.042 355 I HA 0.635 4.806 4.170 0.002 0.000 0.310 355 I C -0.383 175.739 176.117 0.008 0.000 1.117 355 I CA -1.490 59.813 61.300 0.006 0.000 1.003 355 I CB 1.827 39.834 38.000 0.013 0.000 1.228 355 I HN 0.286 nan 8.210 nan 0.000 0.443 356 A N 1.838 124.666 122.820 0.012 0.000 2.425 356 A HA 0.352 4.673 4.320 0.002 0.000 0.242 356 A C 1.214 178.817 177.584 0.030 0.000 1.077 356 A CA 0.222 52.266 52.037 0.011 0.000 0.781 356 A CB 0.209 19.211 19.000 0.004 0.000 1.020 356 A HN 0.992 nan 8.150 nan 0.000 0.494 357 S N 0.978 116.700 115.700 0.037 0.000 2.481 357 S HA -0.172 4.299 4.470 0.002 0.000 0.231 357 S C 1.632 176.287 174.600 0.091 0.000 0.996 357 S CA 0.883 59.122 58.200 0.066 0.000 0.942 357 S CB -0.407 62.837 63.200 0.073 0.000 0.768 357 S HN 0.874 nan 8.310 nan 0.000 0.520 358 R N 1.376 121.927 120.500 0.085 0.000 2.115 358 R HA 0.103 4.444 4.340 0.002 0.000 0.230 358 R C 2.069 178.434 176.300 0.108 0.000 1.111 358 R CA 1.331 57.504 56.100 0.121 0.000 0.976 358 R CB -0.357 30.027 30.300 0.140 0.000 0.870 358 R HN 0.324 nan 8.270 nan 0.000 0.445 359 K N 1.370 121.817 120.400 0.077 0.000 2.116 359 K HA 0.125 4.446 4.320 0.002 0.000 0.203 359 K C 2.044 178.677 176.600 0.054 0.000 1.052 359 K CA 1.370 57.695 56.287 0.063 0.000 0.952 359 K CB -0.318 32.211 32.500 0.048 0.000 0.729 359 K HN 0.249 nan 8.250 nan 0.000 0.446 360 A N 0.023 122.880 122.820 0.061 0.000 1.972 360 A HA -0.161 4.160 4.320 0.002 0.000 0.219 360 A C 2.296 179.921 177.584 0.068 0.000 1.169 360 A CA 2.176 54.250 52.037 0.062 0.000 0.635 360 A CB -1.043 17.996 19.000 0.065 0.000 0.810 360 A HN 0.448 nan 8.150 nan 0.000 0.446 361 S N -0.923 114.847 115.700 0.117 0.000 2.355 361 S HA -0.251 4.220 4.470 0.002 0.000 0.222 361 S C 2.217 176.785 174.600 -0.053 0.000 1.031 361 S CA 1.684 59.991 58.200 0.178 0.000 0.993 361 S CB -0.387 63.012 63.200 0.331 0.000 0.859 361 S HN 0.685 nan 8.310 nan 0.000 0.453 362 Q N 0.448 120.243 119.800 -0.008 0.000 2.135 362 Q HA -0.150 4.191 4.340 0.002 0.000 0.204 362 Q C 1.707 177.619 176.000 -0.145 0.000 0.981 362 Q CA 1.739 57.499 55.803 -0.071 0.000 0.856 362 Q CB -0.223 28.526 28.738 0.018 0.000 0.902 362 Q HN 0.537 nan 8.270 nan 0.000 0.425 363 N N 0.278 118.926 118.700 -0.088 0.000 2.166 363 N HA -0.134 4.607 4.740 0.002 0.000 0.186 363 N C 1.482 176.833 175.510 -0.264 0.000 1.019 363 N CA 1.314 54.318 53.050 -0.076 0.000 0.856 363 N CB -0.386 38.144 38.487 0.071 0.000 0.993 363 N HN 0.343 nan 8.380 nan 0.000 0.426 364 A N 0.951 123.529 122.820 -0.404 0.000 1.930 364 A HA 0.004 4.325 4.320 0.002 0.000 0.217 364 A C 2.301 179.118 177.584 -1.279 0.000 1.175 364 A CA 0.659 52.138 52.037 -0.930 0.000 0.627 364 A CB -0.531 17.984 19.000 -0.809 0.000 0.815 364 A HN 0.189 nan 8.150 nan 0.000 0.443 365 I N -0.579 119.344 120.570 -1.077 0.000 2.226 365 I HA -0.253 3.918 4.170 0.002 0.000 0.245 365 I C 2.526 178.191 176.117 -0.752 0.000 1.100 365 I CA 1.823 62.532 61.300 -0.985 0.000 1.374 365 I CB -0.260 37.237 38.000 -0.837 0.000 1.057 365 I HN 0.418 nan 8.210 nan 0.000 0.413 366 E N 1.392 121.300 120.200 -0.487 0.000 2.077 366 E HA -0.217 4.134 4.350 0.002 0.000 0.193 366 E C 2.097 178.465 176.600 -0.386 0.000 0.989 366 E CA 1.731 57.972 56.400 -0.265 0.000 0.800 366 E CB -0.127 29.535 29.700 -0.064 0.000 0.746 366 E HN 0.436 nan 8.360 nan 0.000 0.452 367 A N -0.409 122.058 122.820 -0.589 0.000 1.929 367 A HA -0.055 4.266 4.320 0.002 0.000 0.216 367 A C 1.762 179.166 177.584 -0.301 0.000 1.176 367 A CA 1.133 52.796 52.037 -0.624 0.000 0.628 367 A CB -0.550 17.569 19.000 -1.468 0.000 0.816 367 A HN 0.343 nan 8.150 nan 0.000 0.444 368 F N 0.204 119.859 119.950 -0.492 0.000 2.569 368 F HA 0.156 4.685 4.527 0.002 0.000 0.295 368 F C 2.480 178.028 175.800 -0.419 0.000 1.115 368 F CA -0.184 57.629 58.000 -0.311 0.000 1.450 368 F CB -1.457 37.432 39.000 -0.184 0.000 1.107 368 F HN 0.247 nan 8.300 nan 0.000 0.563 369 G N 1.940 110.447 108.800 -0.488 0.000 2.491 369 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 369 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 369 G C -0.565 174.080 174.900 -0.425 0.000 1.180 369 G CA 0.802 45.335 45.100 -0.945 0.000 0.774 369 G HN 0.234 nan 8.290 nan 0.000 0.562 370 P HA 0.036 nan 4.420 nan 0.000 0.223 370 P C 1.720 179.023 177.300 0.005 0.000 1.151 370 P CA 0.674 63.808 63.100 0.057 0.000 0.787 370 P CB -0.056 31.694 31.700 0.084 0.000 0.788 371 L N -2.102 119.090 121.223 -0.052 0.000 2.446 371 L HA 0.109 4.450 4.340 0.002 0.000 0.219 371 L C 0.984 177.781 176.870 -0.122 0.000 1.116 371 L CA 0.398 55.219 54.840 -0.032 0.000 0.844 371 L CB -0.210 41.886 42.059 0.061 0.000 0.970 371 L HN -0.097 nan 8.230 nan 0.000 0.457 372 L N 1.751 122.821 121.223 -0.255 0.000 2.445 372 L HA 0.261 4.602 4.340 0.002 0.000 0.252 372 L C -1.503 175.232 176.870 -0.225 0.000 1.105 372 L CA -1.195 53.409 54.840 -0.394 0.000 0.943 372 L CB 1.185 42.710 42.059 -0.890 0.000 1.277 372 L HN -0.171 nan 8.230 nan 0.000 0.465 373 P HA -0.195 nan 4.420 nan 0.000 0.225 373 P C 0.958 178.346 177.300 0.146 0.000 1.148 373 P CA 1.067 64.223 63.100 0.093 0.000 0.779 373 P CB 0.221 31.971 31.700 0.082 0.000 0.780 374 E N -1.003 119.239 120.200 0.071 0.000 2.478 374 E HA -0.094 4.257 4.350 0.002 0.000 0.198 374 E C 0.274 177.089 176.600 0.359 0.000 1.046 374 E CA -0.048 56.431 56.400 0.131 0.000 0.870 374 E CB -0.677 29.019 29.700 -0.006 0.000 0.818 374 E HN 0.114 nan 8.360 nan 0.000 0.527 375 F N 1.616 121.710 119.950 0.240 0.000 2.607 375 F HA 0.088 4.616 4.527 0.002 0.000 0.374 375 F C 0.551 176.511 175.800 0.266 0.000 1.104 375 F CA -0.439 57.730 58.000 0.281 0.000 1.296 375 F CB 0.452 39.646 39.000 0.323 0.000 1.085 375 F HN -0.006 nan 8.300 nan 0.000 0.584 376 L N 4.405 125.818 121.223 0.316 0.000 2.492 376 L HA 0.607 4.948 4.340 0.002 0.000 0.258 376 L C -0.240 176.441 176.870 -0.315 0.000 1.028 376 L CA -0.036 54.796 54.840 -0.013 0.000 0.900 376 L CB 0.792 42.736 42.059 -0.192 0.000 1.191 376 L HN 0.540 nan 8.230 nan 0.000 0.459 377 G N 1.166 109.593 108.800 -0.621 0.000 2.552 377 G HA2 0.859 4.820 3.960 0.002 0.000 0.324 377 G HA3 0.859 4.820 3.960 0.002 0.000 0.324 377 G C -0.600 173.677 174.900 -1.039 0.000 1.217 377 G CA -0.298 43.951 45.100 -1.417 0.000 0.989 377 G HN 0.932 nan 8.290 nan 0.000 0.490 378 G N -1.836 106.489 108.800 -0.791 0.000 2.441 378 G HA2 0.583 4.544 3.960 0.002 0.000 0.294 378 G HA3 0.583 4.544 3.960 0.002 0.000 0.294 378 G C -1.445 173.399 174.900 -0.095 0.000 1.393 378 G CA 0.438 45.076 45.100 -0.770 0.000 0.796 378 G HN 1.354 nan 8.290 nan 0.000 0.494 379 S N -1.550 114.182 115.700 0.054 0.000 2.541 379 S HA 0.688 5.159 4.470 0.002 0.000 0.271 379 S C -0.136 174.551 174.600 0.146 0.000 1.133 379 S CA 0.402 58.686 58.200 0.140 0.000 0.876 379 S CB 1.538 64.859 63.200 0.203 0.000 1.105 379 S HN 2.057 nan 8.310 nan 0.000 0.470 380 A N 3.120 125.976 122.820 0.060 0.000 2.990 380 A HA 0.473 4.794 4.320 0.002 0.000 0.282 380 A C 0.517 178.097 177.584 -0.006 0.000 1.688 380 A CA 0.430 52.486 52.037 0.031 0.000 1.391 380 A CB -1.478 17.495 19.000 -0.045 0.000 1.112 380 A HN 1.216 nan 8.150 nan 0.000 0.588 381 D N -0.205 120.231 120.400 0.060 0.000 2.945 381 D HA -0.168 4.473 4.640 0.002 0.000 0.225 381 D C -0.045 176.251 176.300 -0.007 0.000 1.158 381 D CA 1.422 55.447 54.000 0.042 0.000 0.805 381 D CB -1.432 39.363 40.800 -0.008 0.000 1.098 381 D HN 0.508 nan 8.370 nan 0.000 0.426 382 L N -1.217 120.006 121.223 -0.000 0.000 3.347 382 L HA 0.534 4.875 4.340 0.002 0.000 0.306 382 L C 2.026 178.941 176.870 0.075 0.000 1.301 382 L CA 0.183 54.996 54.840 -0.045 0.000 0.985 382 L CB 0.080 41.989 42.059 -0.250 0.000 1.400 382 L HN 0.157 nan 8.230 nan 0.000 0.601 383 A N 1.444 124.349 122.820 0.141 0.000 1.917 383 A HA -0.100 4.221 4.320 0.002 0.000 0.219 383 A C -0.337 177.329 177.584 0.137 0.000 1.182 383 A CA 1.821 53.962 52.037 0.173 0.000 0.633 383 A CB -1.349 17.759 19.000 0.181 0.000 0.819 383 A HN 0.323 nan 8.150 nan 0.000 0.448 384 P HA 0.046 nan 4.420 nan 0.000 0.229 384 P C 1.073 178.466 177.300 0.154 0.000 1.160 384 P CA 1.376 64.544 63.100 0.114 0.000 0.777 384 P CB 0.252 32.008 31.700 0.094 0.000 0.814 385 S N -0.735 115.078 115.700 0.188 0.000 2.545 385 S HA 0.088 4.559 4.470 0.002 0.000 0.232 385 S C 1.602 176.421 174.600 0.364 0.000 1.070 385 S CA 0.238 58.620 58.200 0.303 0.000 0.923 385 S CB -0.521 62.897 63.200 0.364 0.000 0.806 385 S HN 0.245 nan 8.310 nan 0.000 0.506 386 N N 1.360 120.222 118.700 0.271 0.000 2.416 386 N HA 0.237 4.979 4.740 0.002 0.000 0.177 386 N C -0.457 175.194 175.510 0.235 0.000 1.036 386 N CA 0.213 53.432 53.050 0.282 0.000 0.901 386 N CB -0.063 38.561 38.487 0.229 0.000 0.976 386 N HN 0.127 nan 8.380 nan 0.000 0.444 387 L N 0.797 122.139 121.223 0.198 0.000 3.550 387 L HA -0.191 4.150 4.340 0.002 0.000 0.523 387 L C 0.454 177.421 176.870 0.162 0.000 1.312 387 L CA 0.092 55.026 54.840 0.156 0.000 0.864 387 L CB -2.261 39.880 42.059 0.136 0.000 1.592 387 L HN 0.375 nan 8.230 nan 0.000 0.859 388 T N -4.123 110.560 114.554 0.215 0.000 3.040 388 T HA 0.374 4.725 4.350 0.002 0.000 0.250 388 T C 0.666 175.569 174.700 0.338 0.000 1.058 388 T CA -0.221 62.078 62.100 0.332 0.000 0.988 388 T CB 0.371 69.554 68.868 0.524 0.000 0.993 388 T HN 0.295 nan 8.240 nan 0.000 0.519 389 L N 2.994 124.282 121.223 0.108 0.000 2.350 389 L HA 0.515 4.856 4.340 0.002 0.000 0.275 389 L C 0.213 177.157 176.870 0.123 0.000 1.099 389 L CA -1.157 53.649 54.840 -0.057 0.000 0.808 389 L CB 0.678 42.603 42.059 -0.222 0.000 1.149 389 L HN 0.458 nan 8.230 nan 0.000 0.442 390 W N 0.646 121.898 121.300 -0.079 0.000 3.021 390 W HA 0.384 5.045 4.660 0.002 0.000 0.337 390 W C 0.797 177.285 176.519 -0.050 0.000 1.171 390 W CA -0.520 56.790 57.345 -0.058 0.000 1.060 390 W CB 0.686 30.116 29.460 -0.049 0.000 1.472 390 W HN 0.603 nan 8.180 nan 0.000 0.594 391 S N -0.151 115.533 115.700 -0.026 0.000 2.423 391 S HA -0.040 4.431 4.470 0.002 0.000 0.231 391 S C 1.607 175.840 174.600 -0.613 0.000 1.014 391 S CA 1.434 59.496 58.200 -0.230 0.000 0.965 391 S CB -0.912 62.267 63.200 -0.035 0.000 0.785 391 S HN 0.797 nan 8.310 nan 0.000 0.495 392 G N 0.691 108.609 108.800 -1.469 0.000 3.141 392 G HA2 0.289 4.250 3.960 0.002 0.000 0.218 392 G HA3 0.289 4.250 3.960 0.002 0.000 0.218 392 G C 0.123 174.237 174.900 -1.309 0.000 1.170 392 G CA -0.377 43.780 45.100 -1.573 0.000 0.769 392 G HN 0.461 nan 8.290 nan 0.000 0.546 393 S N 0.457 115.413 115.700 -1.240 0.000 2.549 393 S HA 0.339 4.810 4.470 0.002 0.000 0.283 393 S C -0.007 174.397 174.600 -0.326 0.000 1.320 393 S CA 0.316 58.176 58.200 -0.567 0.000 1.058 393 S CB 1.016 63.923 63.200 -0.488 0.000 0.882 393 S HN 0.320 nan 8.310 nan 0.000 0.498 394 K N 1.850 122.165 120.400 -0.143 0.000 2.507 394 K HA 0.548 4.869 4.320 0.002 0.000 0.252 394 K C -0.623 175.979 176.600 0.002 0.000 0.943 394 K CA -0.388 55.849 56.287 -0.082 0.000 0.808 394 K CB 1.885 34.348 32.500 -0.062 0.000 1.142 394 K HN 0.626 nan 8.250 nan 0.000 0.426 395 A N 2.973 125.808 122.820 0.025 0.000 2.401 395 A HA 0.236 4.557 4.320 0.002 0.000 0.259 395 A C 1.064 178.667 177.584 0.031 0.000 1.103 395 A CA -0.457 51.637 52.037 0.094 0.000 0.789 395 A CB -0.347 18.786 19.000 0.221 0.000 1.035 395 A HN 1.021 nan 8.150 nan 0.000 0.491 396 I N 0.607 121.165 120.570 -0.020 0.000 3.291 396 I HA -0.068 4.103 4.170 0.002 0.000 0.279 396 I C 1.320 177.404 176.117 -0.055 0.000 1.294 396 I CA 1.112 62.376 61.300 -0.059 0.000 1.428 396 I CB -0.345 37.584 38.000 -0.118 0.000 1.070 396 I HN 0.704 nan 8.210 nan 0.000 0.478 397 N N 1.492 120.177 118.700 -0.025 0.000 2.463 397 N HA -0.120 4.621 4.740 0.002 0.000 0.181 397 N C 1.144 176.640 175.510 -0.023 0.000 1.078 397 N CA 0.695 53.726 53.050 -0.031 0.000 0.902 397 N CB -0.097 38.376 38.487 -0.024 0.000 0.970 397 N HN 0.640 nan 8.380 nan 0.000 0.451 398 E N -0.281 119.913 120.200 -0.010 0.000 2.206 398 E HA 0.024 4.375 4.350 0.002 0.000 0.195 398 E C -0.499 176.087 176.600 -0.024 0.000 0.935 398 E CA 0.242 56.632 56.400 -0.017 0.000 0.875 398 E CB 0.363 30.057 29.700 -0.010 0.000 0.841 398 E HN 0.159 nan 8.360 nan 0.000 0.477 399 D N -0.408 119.979 120.400 -0.023 0.000 2.542 399 D HA 0.277 4.918 4.640 0.002 0.000 0.252 399 D C 0.201 176.485 176.300 -0.028 0.000 1.222 399 D CA -0.372 53.613 54.000 -0.026 0.000 0.895 399 D CB 1.605 42.390 40.800 -0.025 0.000 1.207 399 D HN 0.011 nan 8.370 nan 0.000 0.558 400 A N 3.258 126.059 122.820 -0.032 0.000 2.076 400 A HA 0.051 4.372 4.320 0.002 0.000 0.220 400 A C 1.685 179.260 177.584 -0.016 0.000 1.160 400 A CA 1.626 53.642 52.037 -0.036 0.000 0.653 400 A CB -0.208 18.769 19.000 -0.039 0.000 0.801 400 A HN 0.597 nan 8.150 nan 0.000 0.455 401 A N -0.441 122.376 122.820 -0.005 0.000 2.370 401 A HA 0.520 4.841 4.320 0.002 0.000 0.238 401 A C 1.229 178.835 177.584 0.036 0.000 1.289 401 A CA 0.502 52.551 52.037 0.020 0.000 0.885 401 A CB -0.863 18.135 19.000 -0.002 0.000 0.961 401 A HN 0.613 nan 8.150 nan 0.000 0.499 402 G N 0.378 109.190 108.800 0.020 0.000 2.489 402 G HA2 0.340 4.302 3.960 0.002 0.000 0.271 402 G HA3 0.340 4.302 3.960 0.002 0.000 0.271 402 G C 0.223 175.165 174.900 0.071 0.000 1.427 402 G CA 0.232 45.351 45.100 0.032 0.000 1.057 402 G HN 0.594 nan 8.290 nan 0.000 0.532 403 N N -2.816 115.937 118.700 0.089 0.000 2.381 403 N HA 0.144 4.885 4.740 0.002 0.000 0.257 403 N C -1.070 174.513 175.510 0.122 0.000 1.409 403 N CA -0.541 52.598 53.050 0.148 0.000 0.836 403 N CB -0.026 38.642 38.487 0.303 0.000 1.384 403 N HN 0.477 nan 8.380 nan 0.000 0.490 404 Y N 0.369 120.598 120.300 -0.117 0.000 2.513 404 Y HA 0.650 5.201 4.550 0.002 0.000 0.340 404 Y C -1.719 174.004 175.900 -0.294 0.000 1.055 404 Y CA -1.082 56.893 58.100 -0.209 0.000 1.020 404 Y CB 1.619 39.972 38.460 -0.179 0.000 1.301 404 Y HN 0.003 nan 8.280 nan 0.000 0.453 405 I N 5.353 125.338 120.570 -0.976 0.000 2.436 405 I HA 0.268 4.440 4.170 0.002 0.000 0.289 405 I C -0.839 174.801 176.117 -0.795 0.000 1.010 405 I CA -0.884 59.932 61.300 -0.806 0.000 1.098 405 I CB 1.483 38.795 38.000 -1.146 0.000 1.266 405 I HN 0.575 nan 8.210 nan 0.000 0.434 406 H N 6.730 125.640 119.070 -0.267 0.000 3.004 406 H HA 0.094 4.651 4.556 0.002 0.000 0.267 406 H C -0.151 175.071 175.328 -0.176 0.000 1.165 406 H CA 0.283 56.279 56.048 -0.086 0.000 1.450 406 H CB 0.546 30.314 29.762 0.011 0.000 1.488 406 H HN 0.569 nan 8.280 nan 0.000 0.478 407 Y N 1.916 122.194 120.300 -0.036 0.000 2.561 407 Y HA 0.019 4.570 4.550 0.002 0.000 0.291 407 Y C 1.900 177.775 175.900 -0.041 0.000 1.141 407 Y CA 0.860 58.921 58.100 -0.065 0.000 1.303 407 Y CB 0.327 38.728 38.460 -0.097 0.000 1.015 407 Y HN 0.969 nan 8.280 nan 0.000 0.547 408 G N -0.159 108.715 108.800 0.124 0.000 2.750 408 G HA2 -0.249 3.712 3.960 0.002 0.000 0.228 408 G HA3 -0.249 3.712 3.960 0.002 0.000 0.228 408 G C -0.589 174.327 174.900 0.026 0.000 1.367 408 G CA -0.467 44.664 45.100 0.052 0.000 0.871 408 G HN 0.014 nan 8.290 nan 0.000 0.560 409 V N 1.444 121.347 119.914 -0.018 0.000 2.071 409 V HA 0.452 4.573 4.120 0.002 0.000 0.254 409 V C 0.968 177.033 176.094 -0.048 0.000 1.456 409 V CA 0.698 62.957 62.300 -0.068 0.000 1.383 409 V CB -0.583 31.183 31.823 -0.095 0.000 1.433 409 V HN 0.557 nan 8.190 nan 0.000 0.499 410 R N 1.822 122.307 120.500 -0.024 0.000 2.687 410 R HA 0.271 4.613 4.340 0.002 0.000 0.264 410 R C 0.273 176.578 176.300 0.009 0.000 1.715 410 R CA -0.312 55.794 56.100 0.009 0.000 1.633 410 R CB 1.013 31.314 30.300 0.002 0.000 1.353 410 R HN 0.435 nan 8.270 nan 0.000 0.653 411 E N 0.586 120.807 120.200 0.034 0.000 2.047 411 E HA -0.160 4.191 4.350 0.002 0.000 0.191 411 E C 1.174 177.864 176.600 0.149 0.000 0.987 411 E CA 1.196 57.628 56.400 0.053 0.000 0.799 411 E CB -0.005 29.737 29.700 0.070 0.000 0.752 411 E HN 0.300 nan 8.360 nan 0.000 0.449 412 F N 0.961 120.932 119.950 0.035 0.000 2.146 412 F HA 0.027 4.555 4.527 0.002 0.000 0.298 412 F C 2.131 177.920 175.800 -0.018 0.000 1.096 412 F CA 1.564 59.580 58.000 0.027 0.000 1.275 412 F CB -0.932 38.096 39.000 0.047 0.000 1.008 412 F HN 0.044 nan 8.300 nan 0.000 0.480 413 G N 0.437 109.247 108.800 0.017 0.000 2.418 413 G HA2 -0.306 3.655 3.960 0.002 0.000 0.217 413 G HA3 -0.306 3.655 3.960 0.002 0.000 0.217 413 G C 1.806 176.643 174.900 -0.106 0.000 1.158 413 G CA 0.831 45.862 45.100 -0.116 0.000 0.771 413 G HN 0.440 nan 8.290 nan 0.000 0.545 414 M N 0.725 120.221 119.600 -0.173 0.000 2.073 414 M HA -0.128 4.353 4.480 0.002 0.000 0.258 414 M C 2.517 178.589 176.300 -0.379 0.000 1.070 414 M CA 2.320 57.286 55.300 -0.556 0.000 1.103 414 M CB -0.448 31.699 32.600 -0.755 0.000 1.321 414 M HN 0.200 nan 8.290 nan 0.000 0.405 415 T N 0.740 115.208 114.554 -0.143 0.000 2.821 415 T HA 0.007 4.358 4.350 0.002 0.000 0.267 415 T C 1.795 176.498 174.700 0.004 0.000 1.046 415 T CA 1.434 63.516 62.100 -0.031 0.000 1.139 415 T CB -0.463 68.466 68.868 0.101 0.000 0.871 415 T HN 0.603 nan 8.240 nan 0.000 0.454 416 A N 0.762 123.588 122.820 0.009 0.000 1.970 416 A HA 0.150 4.471 4.320 0.002 0.000 0.216 416 A C 2.242 179.812 177.584 -0.024 0.000 1.170 416 A CA 0.641 52.672 52.037 -0.010 0.000 0.645 416 A CB -0.643 18.298 19.000 -0.099 0.000 0.816 416 A HN 0.486 nan 8.150 nan 0.000 0.447 417 I N -0.171 120.378 120.570 -0.036 0.000 2.226 417 I HA -0.288 3.883 4.170 0.002 0.000 0.245 417 I C 2.930 179.057 176.117 0.017 0.000 1.100 417 I CA 1.119 62.423 61.300 0.006 0.000 1.374 417 I CB -0.220 37.828 38.000 0.080 0.000 1.057 417 I HN 0.357 nan 8.210 nan 0.000 0.413 418 A N 0.700 123.517 122.820 -0.004 0.000 1.972 418 A HA -0.200 4.121 4.320 0.002 0.000 0.219 418 A C 1.986 179.588 177.584 0.030 0.000 1.169 418 A CA 1.710 53.753 52.037 0.010 0.000 0.635 418 A CB -0.607 18.376 19.000 -0.029 0.000 0.810 418 A HN 0.413 nan 8.150 nan 0.000 0.446 419 N N 0.368 119.086 118.700 0.030 0.000 2.166 419 N HA -0.107 4.634 4.740 0.002 0.000 0.186 419 N C 1.800 177.341 175.510 0.052 0.000 1.019 419 N CA 1.455 54.533 53.050 0.046 0.000 0.856 419 N CB -0.760 37.755 38.487 0.047 0.000 0.993 419 N HN 0.477 nan 8.380 nan 0.000 0.426 420 G N 1.016 109.841 108.800 0.042 0.000 2.408 420 G HA2 -0.126 3.835 3.960 0.002 0.000 0.217 420 G HA3 -0.126 3.835 3.960 0.002 0.000 0.217 420 G C 1.666 176.615 174.900 0.082 0.000 1.150 420 G CA 0.231 45.364 45.100 0.054 0.000 0.776 420 G HN 0.249 nan 8.290 nan 0.000 0.542 421 I N 1.676 122.280 120.570 0.057 0.000 2.163 421 I HA -0.234 3.937 4.170 0.002 0.000 0.243 421 I C 3.231 179.447 176.117 0.164 0.000 1.085 421 I CA 1.672 63.013 61.300 0.068 0.000 1.347 421 I CB -0.258 37.732 38.000 -0.016 0.000 1.044 421 I HN 0.373 nan 8.210 nan 0.000 0.408 422 S N 1.248 117.024 115.700 0.125 0.000 2.382 422 S HA -0.138 4.333 4.470 0.002 0.000 0.228 422 S C 2.033 176.700 174.600 0.113 0.000 1.027 422 S CA 0.954 59.231 58.200 0.128 0.000 0.991 422 S CB -0.817 62.442 63.200 0.097 0.000 0.823 422 S HN 0.407 nan 8.310 nan 0.000 0.469 423 L N 0.831 122.113 121.223 0.099 0.000 2.141 423 L HA -0.093 4.248 4.340 0.002 0.000 0.209 423 L C 3.028 179.940 176.870 0.070 0.000 1.094 423 L CA 1.614 56.497 54.840 0.071 0.000 0.763 423 L CB -0.751 41.345 42.059 0.062 0.000 0.908 423 L HN 0.523 nan 8.230 nan 0.000 0.437 424 H N 0.585 119.682 119.070 0.044 0.000 2.353 424 H HA -0.033 4.524 4.556 0.002 0.000 0.300 424 H C 0.829 176.164 175.328 0.012 0.000 1.090 424 H CA 1.263 57.337 56.048 0.043 0.000 1.327 424 H CB 0.225 30.050 29.762 0.106 0.000 1.383 424 H HN 0.306 nan 8.280 nan 0.000 0.508 425 G N -2.351 106.548 108.800 0.164 0.000 2.712 425 G HA2 0.169 4.130 3.960 0.002 0.000 0.686 425 G HA3 0.169 4.130 3.960 0.002 0.000 0.686 425 G C 0.633 175.573 174.900 0.067 0.000 1.181 425 G CA 0.222 45.338 45.100 0.027 0.000 0.762 425 G HN 0.998 nan 8.290 nan 0.000 0.641 426 G N -1.041 107.664 108.800 -0.158 0.000 2.238 426 G HA2 0.126 4.087 3.960 0.002 0.000 0.217 426 G HA3 0.126 4.087 3.960 0.002 0.000 0.217 426 G C 0.243 174.715 174.900 -0.713 0.000 0.996 426 G CA 0.705 45.518 45.100 -0.479 0.000 0.632 426 G HN 1.702 nan 8.290 nan 0.000 0.503 427 F N -0.698 119.284 119.950 0.054 0.000 2.629 427 F HA 0.818 5.346 4.527 0.002 0.000 0.316 427 F C -0.492 175.359 175.800 0.085 0.000 1.081 427 F CA -1.279 56.769 58.000 0.080 0.000 0.954 427 F CB 1.897 40.945 39.000 0.080 0.000 1.337 427 F HN 0.071 nan 8.300 nan 0.000 0.474 428 L N 5.200 126.641 121.223 0.364 0.000 2.401 428 L HA 0.620 4.961 4.340 0.002 0.000 0.263 428 L C -2.921 174.177 176.870 0.380 0.000 1.004 428 L CA -2.870 52.154 54.840 0.306 0.000 0.881 428 L CB 0.745 42.965 42.059 0.269 0.000 1.219 428 L HN 0.174 nan 8.230 nan 0.000 0.441 429 P HA 0.392 nan 4.420 nan 0.000 0.286 429 P C -1.749 175.675 177.300 0.206 0.000 1.261 429 P CA -0.082 63.110 63.100 0.154 0.000 0.821 429 P CB 1.000 32.746 31.700 0.078 0.000 1.013 430 Y N -1.375 118.976 120.300 0.085 0.000 2.477 430 Y HA 0.805 5.356 4.550 0.002 0.000 0.347 430 Y C -0.325 175.570 175.900 -0.008 0.000 0.981 430 Y CA -1.034 57.088 58.100 0.037 0.000 1.033 430 Y CB 1.261 39.781 38.460 0.100 0.000 1.245 430 Y HN 0.468 nan 8.280 nan 0.000 0.455 431 T N -0.628 113.993 114.554 0.113 0.000 2.887 431 T HA 0.812 5.163 4.350 0.002 0.000 0.292 431 T C -0.831 173.885 174.700 0.025 0.000 1.087 431 T CA -0.864 61.228 62.100 -0.013 0.000 1.009 431 T CB 1.726 70.511 68.868 -0.137 0.000 1.203 431 T HN 0.941 nan 8.240 nan 0.000 0.518 432 S N -0.486 115.234 115.700 0.033 0.000 2.537 432 S HA 0.760 5.231 4.470 0.002 0.000 0.271 432 S C -1.192 173.481 174.600 0.122 0.000 1.148 432 S CA -0.230 58.020 58.200 0.084 0.000 0.868 432 S CB 1.749 65.050 63.200 0.168 0.000 1.115 432 S HN 1.318 nan 8.310 nan 0.000 0.461 433 T N 1.776 116.463 114.554 0.221 0.000 2.677 433 T HA 0.565 4.916 4.350 0.002 0.000 0.305 433 T C -1.688 173.204 174.700 0.319 0.000 1.569 433 T CA -0.508 61.689 62.100 0.162 0.000 0.984 433 T CB 0.003 68.959 68.868 0.147 0.000 1.629 433 T HN 0.373 nan 8.240 nan 0.000 0.494 434 F N 2.240 122.277 119.950 0.146 0.000 2.506 434 F HA 0.286 4.814 4.527 0.002 0.000 0.351 434 F C 1.563 177.315 175.800 -0.079 0.000 1.136 434 F CA -1.018 56.990 58.000 0.012 0.000 1.298 434 F CB 0.137 39.048 39.000 -0.149 0.000 1.145 434 F HN 0.489 nan 8.300 nan 0.000 0.593 435 L N 2.905 124.192 121.223 0.105 0.000 2.079 435 L HA -0.230 4.111 4.340 0.002 0.000 0.210 435 L C 2.184 178.865 176.870 -0.315 0.000 1.081 435 L CA 1.603 56.359 54.840 -0.139 0.000 0.752 435 L CB -0.835 41.196 42.059 -0.048 0.000 0.896 435 L HN 0.722 nan 8.230 nan 0.000 0.433 436 M N -0.730 118.618 119.600 -0.421 0.000 2.144 436 M HA -0.207 4.274 4.480 0.002 0.000 0.260 436 M C 1.358 177.360 176.300 -0.496 0.000 1.067 436 M CA 1.781 56.741 55.300 -0.568 0.000 1.095 436 M CB -0.592 31.465 32.600 -0.905 0.000 1.365 436 M HN 0.237 nan 8.290 nan 0.000 0.406 437 F N -1.183 118.699 119.950 -0.115 0.000 2.769 437 F HA 0.172 4.700 4.527 0.001 0.000 0.304 437 F C 1.988 177.712 175.800 -0.126 0.000 1.158 437 F CA -0.072 57.836 58.000 -0.153 0.000 1.398 437 F CB -1.715 37.096 39.000 -0.315 0.000 1.094 437 F HN 0.006 nan 8.300 nan 0.000 0.553 438 V N 0.112 119.914 119.914 -0.187 0.000 2.759 438 V HA -0.204 3.917 4.120 0.002 0.000 0.256 438 V C 1.984 178.030 176.094 -0.081 0.000 1.080 438 V CA 1.942 64.081 62.300 -0.267 0.000 1.101 438 V CB -0.141 31.320 31.823 -0.605 0.000 0.698 438 V HN 0.352 nan 8.190 nan 0.000 0.477 439 E N -0.932 119.267 120.200 -0.003 0.000 2.153 439 E HA -0.218 4.133 4.350 0.002 0.000 0.194 439 E C 2.016 178.661 176.600 0.076 0.000 0.988 439 E CA 1.517 57.937 56.400 0.033 0.000 0.811 439 E CB -0.198 29.546 29.700 0.073 0.000 0.746 439 E HN 0.741 nan 8.360 nan 0.000 0.466 440 Y N 0.272 120.550 120.300 -0.037 0.000 2.293 440 Y HA -0.059 4.492 4.550 0.002 0.000 0.291 440 Y C 2.067 177.827 175.900 -0.234 0.000 1.137 440 Y CA 0.989 59.040 58.100 -0.082 0.000 1.202 440 Y CB -0.048 38.415 38.460 0.005 0.000 0.990 440 Y HN -0.017 nan 8.280 nan 0.000 0.537 441 A N -1.065 121.752 122.820 -0.006 0.000 2.423 441 A HA 0.205 4.526 4.320 0.002 0.000 0.246 441 A C 1.896 179.360 177.584 -0.201 0.000 1.278 441 A CA -0.114 51.863 52.037 -0.100 0.000 0.903 441 A CB -0.327 18.743 19.000 0.118 0.000 0.997 441 A HN 0.161 nan 8.150 nan 0.000 0.510 442 R N 1.361 121.716 120.500 -0.243 0.000 2.096 442 R HA -0.159 4.182 4.340 0.002 0.000 0.240 442 R C 1.819 178.048 176.300 -0.118 0.000 1.139 442 R CA 2.269 58.279 56.100 -0.149 0.000 0.952 442 R CB -0.648 29.564 30.300 -0.148 0.000 0.854 442 R HN 0.670 nan 8.270 nan 0.000 0.436 443 N N -0.696 117.882 118.700 -0.203 0.000 2.331 443 N HA -0.087 4.654 4.740 0.002 0.000 0.180 443 N C 1.209 176.781 175.510 0.103 0.000 1.019 443 N CA 0.971 53.995 53.050 -0.042 0.000 0.881 443 N CB 0.069 38.542 38.487 -0.024 0.000 0.972 443 N HN 0.344 nan 8.380 nan 0.000 0.435 444 A N 0.392 123.335 122.820 0.205 0.000 1.968 444 A HA -0.007 4.314 4.320 0.002 0.000 0.217 444 A C 2.338 180.008 177.584 0.144 0.000 1.169 444 A CA 0.676 52.869 52.037 0.261 0.000 0.638 444 A CB -0.391 18.850 19.000 0.403 0.000 0.812 444 A HN 0.149 nan 8.150 nan 0.000 0.446 445 V N 0.004 119.984 119.914 0.110 0.000 2.307 445 V HA -0.234 3.887 4.120 0.002 0.000 0.245 445 V C 2.612 178.753 176.094 0.079 0.000 1.045 445 V CA 2.195 64.556 62.300 0.101 0.000 1.024 445 V CB -0.760 31.125 31.823 0.103 0.000 0.651 445 V HN 0.653 nan 8.190 nan 0.000 0.449 446 R N -0.510 120.025 120.500 0.058 0.000 2.091 446 R HA -0.185 4.156 4.340 0.002 0.000 0.238 446 R C 2.299 178.635 176.300 0.060 0.000 1.136 446 R CA 1.707 57.837 56.100 0.050 0.000 0.959 446 R CB -0.185 30.134 30.300 0.031 0.000 0.856 446 R HN 0.316 nan 8.270 nan 0.000 0.437 447 M N -0.123 119.521 119.600 0.072 0.000 2.213 447 M HA -0.072 4.409 4.480 0.002 0.000 0.263 447 M C 2.339 178.681 176.300 0.069 0.000 1.062 447 M CA 1.449 56.792 55.300 0.072 0.000 1.105 447 M CB -0.933 31.717 32.600 0.084 0.000 1.385 447 M HN 0.270 nan 8.290 nan 0.000 0.417 448 A N 0.222 123.086 122.820 0.074 0.000 1.898 448 A HA 0.034 4.355 4.320 0.002 0.000 0.216 448 A C 2.436 180.060 177.584 0.066 0.000 1.181 448 A CA 1.965 54.044 52.037 0.069 0.000 0.620 448 A CB -0.784 18.260 19.000 0.073 0.000 0.819 448 A HN 0.461 nan 8.150 nan 0.000 0.442 449 A N -0.653 122.207 122.820 0.067 0.000 1.898 449 A HA 0.032 4.353 4.320 0.002 0.000 0.216 449 A C 2.085 179.704 177.584 0.059 0.000 1.181 449 A CA 1.598 53.674 52.037 0.065 0.000 0.620 449 A CB -0.577 18.462 19.000 0.065 0.000 0.819 449 A HN 0.598 nan 8.150 nan 0.000 0.442 450 L N -0.516 120.741 121.223 0.056 0.000 2.083 450 L HA -0.040 4.301 4.340 0.002 0.000 0.209 450 L C 2.206 179.108 176.870 0.054 0.000 1.083 450 L CA 1.923 56.795 54.840 0.053 0.000 0.752 450 L CB -0.427 41.663 42.059 0.051 0.000 0.899 450 L HN 0.430 nan 8.230 nan 0.000 0.433 451 M N -0.941 118.692 119.600 0.055 0.000 2.561 451 M HA 0.031 4.512 4.480 0.002 0.000 0.238 451 M C 0.144 176.474 176.300 0.050 0.000 1.131 451 M CA 0.169 55.501 55.300 0.054 0.000 1.046 451 M CB 0.094 32.727 32.600 0.054 0.000 1.532 451 M HN 0.070 nan 8.290 nan 0.000 0.497 452 K N 1.448 121.879 120.400 0.051 0.000 3.150 452 K HA -0.144 4.177 4.320 0.002 0.000 0.267 452 K C -0.677 175.950 176.600 0.045 0.000 1.028 452 K CA 0.423 56.739 56.287 0.048 0.000 0.753 452 K CB -1.200 31.325 32.500 0.042 0.000 1.288 452 K HN 0.360 nan 8.250 nan 0.000 0.473 453 Q N 0.822 120.653 119.800 0.051 0.000 2.266 453 Q HA 0.283 4.624 4.340 0.002 0.000 0.261 453 Q C -0.051 175.981 176.000 0.053 0.000 0.985 453 Q CA -0.551 55.282 55.803 0.051 0.000 0.873 453 Q CB 1.754 30.526 28.738 0.056 0.000 1.306 453 Q HN 0.286 nan 8.270 nan 0.000 0.447 454 R N 1.745 122.276 120.500 0.052 0.000 2.298 454 R HA 0.233 4.574 4.340 0.002 0.000 0.310 454 R C -0.691 175.653 176.300 0.073 0.000 1.068 454 R CA 0.178 56.311 56.100 0.055 0.000 0.957 454 R CB 0.599 30.925 30.300 0.043 0.000 1.003 454 R HN 0.634 nan 8.270 nan 0.000 0.454 455 Q N 3.541 123.382 119.800 0.069 0.000 2.327 455 Q HA 0.256 4.597 4.340 0.002 0.000 0.265 455 Q C -1.898 174.124 176.000 0.037 0.000 0.993 455 Q CA -0.803 55.044 55.803 0.073 0.000 0.885 455 Q CB 2.299 31.070 28.738 0.055 0.000 1.379 455 Q HN 0.467 nan 8.270 nan 0.000 0.408 456 V N 4.858 124.796 119.914 0.039 0.000 2.370 456 V HA 0.440 4.561 4.120 0.002 0.000 0.279 456 V C -0.214 175.786 176.094 -0.156 0.000 1.029 456 V CA -0.242 61.986 62.300 -0.119 0.000 0.870 456 V CB 1.292 32.945 31.823 -0.283 0.000 0.984 456 V HN 0.813 nan 8.190 nan 0.000 0.451 457 M N 5.400 124.839 119.600 -0.268 0.000 2.066 457 M HA 0.431 4.912 4.480 0.002 0.000 0.340 457 M C -0.788 175.112 176.300 -0.667 0.000 1.053 457 M CA -0.436 54.589 55.300 -0.459 0.000 0.983 457 M CB 1.694 34.010 32.600 -0.474 0.000 1.520 457 M HN 0.329 nan 8.290 nan 0.000 0.428 458 V N 4.703 124.308 119.914 -0.516 0.000 2.320 458 V HA 0.238 4.359 4.120 0.002 0.000 0.265 458 V C -1.069 174.900 176.094 -0.209 0.000 1.048 458 V CA -0.454 61.667 62.300 -0.298 0.000 0.865 458 V CB -0.459 31.338 31.823 -0.045 0.000 1.043 458 V HN 0.531 nan 8.190 nan 0.000 0.474 459 Y N 3.085 123.433 120.300 0.080 0.000 2.334 459 Y HA 0.564 5.116 4.550 0.002 0.000 0.336 459 Y C 0.900 176.891 175.900 0.152 0.000 0.960 459 Y CA -1.017 57.151 58.100 0.114 0.000 1.164 459 Y CB 1.637 40.139 38.460 0.071 0.000 1.155 459 Y HN 0.700 nan 8.280 nan 0.000 0.478 460 T N -1.711 113.084 114.554 0.402 0.000 2.889 460 T HA 0.435 4.786 4.350 0.002 0.000 0.278 460 T C -0.662 174.278 174.700 0.400 0.000 0.995 460 T CA -0.729 61.605 62.100 0.389 0.000 0.966 460 T CB 0.652 69.819 68.868 0.498 0.000 1.237 460 T HN 0.685 nan 8.240 nan 0.000 0.591 461 H N 0.461 119.532 119.070 0.001 0.000 2.765 461 H HA -0.073 4.484 4.556 0.002 0.000 0.332 461 H C 0.467 175.722 175.328 -0.122 0.000 1.180 461 H CA 0.850 56.801 56.048 -0.161 0.000 1.142 461 H CB -1.674 27.765 29.762 -0.538 0.000 1.576 461 H HN 0.820 nan 8.280 nan 0.000 0.420 462 D N -0.990 119.416 120.400 0.010 0.000 2.340 462 D HA 0.056 4.697 4.640 0.002 0.000 0.220 462 D C 0.868 177.146 176.300 -0.037 0.000 1.039 462 D CA 0.802 54.804 54.000 0.003 0.000 0.866 462 D CB 0.397 41.216 40.800 0.033 0.000 0.913 462 D HN 0.505 nan 8.370 nan 0.000 0.523 463 S N -0.631 115.030 115.700 -0.064 0.000 2.755 463 S HA 0.267 4.738 4.470 0.002 0.000 0.286 463 S C 1.177 175.688 174.600 -0.149 0.000 1.207 463 S CA -0.375 57.766 58.200 -0.099 0.000 0.892 463 S CB -0.199 62.952 63.200 -0.081 0.000 1.240 463 S HN 0.016 nan 8.310 nan 0.000 0.525 464 I N -0.326 120.106 120.570 -0.230 0.000 2.700 464 I HA 0.204 4.375 4.170 0.002 0.000 0.261 464 I C 2.013 177.889 176.117 -0.401 0.000 1.219 464 I CA 1.361 62.480 61.300 -0.302 0.000 1.463 464 I CB -1.203 36.573 38.000 -0.372 0.000 1.092 464 I HN 0.723 nan 8.210 nan 0.000 0.452 465 G N 2.749 111.339 108.800 -0.350 0.000 2.564 465 G HA2 -0.144 3.817 3.960 0.002 0.000 0.216 465 G HA3 -0.144 3.817 3.960 0.002 0.000 0.216 465 G C 1.550 176.384 174.900 -0.110 0.000 1.124 465 G CA 0.901 45.908 45.100 -0.155 0.000 0.764 465 G HN 0.634 nan 8.290 nan 0.000 0.550 466 L N -1.534 119.606 121.223 -0.138 0.000 2.376 466 L HA 0.455 4.796 4.340 0.002 0.000 0.219 466 L C 1.587 178.402 176.870 -0.092 0.000 1.133 466 L CA 0.858 55.620 54.840 -0.129 0.000 0.816 466 L CB -0.769 41.224 42.059 -0.110 0.000 0.933 466 L HN 0.379 nan 8.230 nan 0.000 0.449 467 G N 0.320 109.056 108.800 -0.105 0.000 2.527 467 G HA2 -0.392 3.569 3.960 0.002 0.000 0.262 467 G HA3 -0.392 3.569 3.960 0.002 0.000 0.262 467 G C 0.633 175.500 174.900 -0.056 0.000 1.153 467 G CA 0.465 45.518 45.100 -0.078 0.000 0.954 467 G HN 0.371 nan 8.290 nan 0.000 0.552 468 E N 0.968 121.143 120.200 -0.041 0.000 2.209 468 E HA 0.024 4.375 4.350 0.002 0.000 0.196 468 E C 1.939 178.505 176.600 -0.058 0.000 0.993 468 E CA 1.273 57.651 56.400 -0.036 0.000 0.819 468 E CB -0.168 29.518 29.700 -0.023 0.000 0.745 468 E HN 0.462 nan 8.360 nan 0.000 0.477 469 D N -0.115 120.229 120.400 -0.094 0.000 2.221 469 D HA -0.046 4.595 4.640 0.002 0.000 0.204 469 D C 1.092 177.303 176.300 -0.148 0.000 0.982 469 D CA 1.404 55.287 54.000 -0.194 0.000 0.857 469 D CB -0.283 40.308 40.800 -0.348 0.000 0.934 469 D HN 0.259 nan 8.370 nan 0.000 0.475 470 G N -0.138 108.624 108.800 -0.063 0.000 2.698 470 G HA2 -0.195 3.766 3.960 0.002 0.000 0.225 470 G HA3 -0.195 3.766 3.960 0.002 0.000 0.225 470 G C -1.958 172.962 174.900 0.033 0.000 1.345 470 G CA -0.109 44.986 45.100 -0.008 0.000 0.871 470 G HN -0.000 nan 8.290 nan 0.000 0.540 471 P HA -0.072 nan 4.420 nan 0.000 0.226 471 P C 1.830 179.157 177.300 0.045 0.000 1.153 471 P CA 2.573 65.704 63.100 0.052 0.000 0.777 471 P CB -0.312 31.415 31.700 0.044 0.000 0.794 472 T N -4.493 110.117 114.554 0.094 0.000 2.951 472 T HA -0.097 4.254 4.350 0.002 0.000 0.268 472 T C 1.495 176.303 174.700 0.180 0.000 1.073 472 T CA 1.183 63.369 62.100 0.143 0.000 1.134 472 T CB -0.933 68.079 68.868 0.240 0.000 0.884 472 T HN 0.153 nan 8.240 nan 0.000 0.479 473 H N 0.657 119.716 119.070 -0.018 0.000 2.729 473 H HA 0.398 4.955 4.556 0.002 0.000 0.263 473 H C 0.542 175.776 175.328 -0.157 0.000 0.961 473 H CA -0.137 55.846 56.048 -0.108 0.000 1.217 473 H CB 0.154 29.887 29.762 -0.049 0.000 1.447 473 H HN 0.448 nan 8.280 nan 0.000 0.496 474 Q N 2.249 122.064 119.800 0.025 0.000 2.323 474 Q HA 0.184 4.525 4.340 0.002 0.000 0.257 474 Q C -2.425 173.544 176.000 -0.051 0.000 1.022 474 Q CA -2.018 53.761 55.803 -0.040 0.000 0.919 474 Q CB 0.923 29.635 28.738 -0.043 0.000 1.220 474 Q HN 0.159 nan 8.270 nan 0.000 0.427 475 P HA -0.089 nan 4.420 nan 0.000 0.266 475 P C -0.316 176.947 177.300 -0.062 0.000 1.195 475 P CA 0.164 63.218 63.100 -0.077 0.000 0.768 475 P CB 1.003 32.649 31.700 -0.090 0.000 0.838 476 V N 1.834 121.721 119.914 -0.044 0.000 3.279 476 V HA 0.029 4.150 4.120 0.002 0.000 0.213 476 V C 1.603 177.671 176.094 -0.043 0.000 1.335 476 V CA 0.667 62.932 62.300 -0.057 0.000 1.317 476 V CB -0.200 31.572 31.823 -0.085 0.000 1.209 476 V HN 0.566 nan 8.190 nan 0.000 0.525 477 E N -0.020 120.155 120.200 -0.042 0.000 2.498 477 E HA 0.024 4.375 4.350 0.002 0.000 0.203 477 E C 1.404 177.973 176.600 -0.051 0.000 1.013 477 E CA 0.168 56.544 56.400 -0.040 0.000 0.927 477 E CB 0.650 30.327 29.700 -0.039 0.000 1.012 477 E HN 0.475 nan 8.360 nan 0.000 0.482 478 Q N 0.755 120.518 119.800 -0.062 0.000 2.123 478 Q HA 0.020 4.362 4.340 0.002 0.000 0.199 478 Q C 2.250 178.193 176.000 -0.094 0.000 0.966 478 Q CA 1.317 57.071 55.803 -0.083 0.000 0.845 478 Q CB -0.178 28.493 28.738 -0.112 0.000 0.907 478 Q HN 0.137 nan 8.270 nan 0.000 0.439 479 V N 0.704 120.562 119.914 -0.093 0.000 2.295 479 V HA -0.285 3.836 4.120 0.002 0.000 0.246 479 V C 2.155 178.127 176.094 -0.205 0.000 1.049 479 V CA 1.810 64.040 62.300 -0.116 0.000 1.024 479 V CB -1.130 30.637 31.823 -0.094 0.000 0.648 479 V HN 0.425 nan 8.190 nan 0.000 0.447 480 A N -0.735 121.946 122.820 -0.232 0.000 1.940 480 A HA -0.254 4.067 4.320 0.002 0.000 0.219 480 A C 2.553 180.037 177.584 -0.168 0.000 1.176 480 A CA 2.277 54.120 52.037 -0.322 0.000 0.631 480 A CB -0.748 18.167 19.000 -0.141 0.000 0.814 480 A HN 0.491 nan 8.150 nan 0.000 0.446 481 S N -0.647 114.995 115.700 -0.098 0.000 2.383 481 S HA -0.064 4.408 4.470 0.002 0.000 0.227 481 S C 1.893 176.459 174.600 -0.055 0.000 1.026 481 S CA 1.311 59.476 58.200 -0.057 0.000 0.981 481 S CB -0.455 62.716 63.200 -0.049 0.000 0.818 481 S HN 0.505 nan 8.310 nan 0.000 0.472 482 L N 0.700 121.881 121.223 -0.069 0.000 2.093 482 L HA 0.003 4.344 4.340 0.002 0.000 0.208 482 L C 2.838 179.680 176.870 -0.047 0.000 1.085 482 L CA 1.127 55.945 54.840 -0.036 0.000 0.755 482 L CB -0.414 41.639 42.059 -0.011 0.000 0.904 482 L HN 0.237 nan 8.230 nan 0.000 0.435 483 R N -0.158 120.268 120.500 -0.124 0.000 2.152 483 R HA -0.097 4.244 4.340 0.002 0.000 0.232 483 R C 1.763 178.051 176.300 -0.019 0.000 1.117 483 R CA 1.450 57.471 56.100 -0.131 0.000 0.981 483 R CB -0.217 29.851 30.300 -0.386 0.000 0.870 483 R HN 0.388 nan 8.270 nan 0.000 0.451 484 V N -2.195 117.718 119.914 -0.002 0.000 3.514 484 V HA 0.167 4.288 4.120 0.002 0.000 0.301 484 V C 0.241 176.351 176.094 0.027 0.000 1.346 484 V CA -0.100 62.226 62.300 0.043 0.000 1.156 484 V CB 0.354 32.214 31.823 0.060 0.000 1.029 484 V HN -0.097 nan 8.190 nan 0.000 0.428 485 T N 3.980 118.546 114.554 0.020 0.000 2.780 485 T HA 0.429 4.780 4.350 0.002 0.000 0.294 485 T C -2.414 172.309 174.700 0.038 0.000 0.949 485 T CA -0.596 61.519 62.100 0.026 0.000 1.074 485 T CB 1.265 70.148 68.868 0.026 0.000 0.910 485 T HN 0.324 nan 8.240 nan 0.000 0.501 486 P HA 0.182 nan 4.420 nan 0.000 0.268 486 P C 0.543 177.876 177.300 0.054 0.000 1.205 486 P CA 0.046 63.173 63.100 0.045 0.000 0.771 486 P CB 0.263 31.987 31.700 0.039 0.000 0.858 487 N N -0.133 118.605 118.700 0.063 0.000 2.753 487 N HA -0.208 4.533 4.740 0.002 0.000 0.251 487 N C -0.437 175.125 175.510 0.087 0.000 1.097 487 N CA 0.839 53.934 53.050 0.074 0.000 0.786 487 N CB -1.299 37.227 38.487 0.066 0.000 1.137 487 N HN 0.377 nan 8.380 nan 0.000 0.566 488 M N 0.305 119.956 119.600 0.084 0.000 2.264 488 M HA 0.503 4.984 4.480 0.002 0.000 0.352 488 M C -0.233 176.138 176.300 0.120 0.000 1.173 488 M CA -0.505 54.853 55.300 0.096 0.000 1.075 488 M CB 1.650 34.294 32.600 0.074 0.000 1.621 488 M HN 0.084 nan 8.290 nan 0.000 0.457 489 S N 2.643 118.447 115.700 0.173 0.000 2.437 489 S HA 0.769 5.240 4.470 0.002 0.000 0.305 489 S C -1.056 173.668 174.600 0.206 0.000 1.109 489 S CA -0.448 57.886 58.200 0.224 0.000 1.099 489 S CB 0.551 64.031 63.200 0.465 0.000 1.004 489 S HN 0.803 nan 8.310 nan 0.000 0.475 490 T N 5.295 119.879 114.554 0.050 0.000 2.840 490 T HA 0.464 4.815 4.350 0.002 0.000 0.287 490 T C -1.478 173.159 174.700 -0.105 0.000 0.991 490 T CA -0.298 61.833 62.100 0.051 0.000 0.964 490 T CB 0.378 69.231 68.868 -0.026 0.000 0.954 490 T HN 0.632 nan 8.240 nan 0.000 0.438 491 W N 2.180 123.468 121.300 -0.020 0.000 2.587 491 W HA 0.621 5.282 4.660 0.002 0.000 0.324 491 W C 0.510 177.028 176.519 -0.002 0.000 1.040 491 W CA -1.045 56.286 57.345 -0.024 0.000 1.222 491 W CB 1.224 30.659 29.460 -0.041 0.000 1.381 491 W HN 0.395 nan 8.180 nan 0.000 0.483 492 R N 4.742 125.333 120.500 0.151 0.000 2.564 492 R HA 0.321 4.662 4.340 0.002 0.000 0.282 492 R C -2.575 173.801 176.300 0.128 0.000 1.573 492 R CA -1.661 54.509 56.100 0.117 0.000 1.588 492 R CB 0.646 30.982 30.300 0.061 0.000 1.154 492 R HN 0.083 nan 8.270 nan 0.000 0.606 493 P HA 0.014 nan 4.420 nan 0.000 0.271 493 P C 0.769 178.127 177.300 0.096 0.000 1.216 493 P CA -0.263 62.937 63.100 0.166 0.000 0.776 493 P CB 1.060 32.864 31.700 0.174 0.000 0.881 494 C N 0.517 119.867 119.300 0.083 0.000 2.696 494 C HA 0.231 4.692 4.460 0.002 0.000 0.264 494 C C 0.436 175.441 174.990 0.025 0.000 1.288 494 C CA 0.114 59.150 59.018 0.030 0.000 1.717 494 C CB -1.384 26.357 27.740 0.002 0.000 1.893 494 C HN 0.658 nan 8.230 nan 0.000 0.577 495 D N -0.811 119.617 120.400 0.047 0.000 2.792 495 D HA 0.090 4.731 4.640 0.002 0.000 0.335 495 D C 0.710 177.032 176.300 0.036 0.000 1.353 495 D CA -0.073 53.944 54.000 0.028 0.000 0.839 495 D CB 0.289 41.098 40.800 0.015 0.000 1.396 495 D HN 0.264 nan 8.370 nan 0.000 0.479 496 Q N -0.300 119.508 119.800 0.014 0.000 2.224 496 Q HA -0.023 4.318 4.340 0.002 0.000 0.203 496 Q C 1.216 177.210 176.000 -0.010 0.000 0.970 496 Q CA 1.589 57.396 55.803 0.007 0.000 0.865 496 Q CB -0.320 28.407 28.738 -0.019 0.000 0.922 496 Q HN 0.280 nan 8.270 nan 0.000 0.445 497 V N 1.667 121.570 119.914 -0.018 0.000 2.283 497 V HA -0.202 3.919 4.120 0.002 0.000 0.243 497 V C 2.119 178.229 176.094 0.027 0.000 1.039 497 V CA 2.045 64.326 62.300 -0.032 0.000 1.016 497 V CB -0.620 31.183 31.823 -0.033 0.000 0.650 497 V HN 0.383 nan 8.190 nan 0.000 0.449 498 E N 0.455 120.699 120.200 0.074 0.000 2.160 498 E HA -0.193 4.158 4.350 0.002 0.000 0.195 498 E C 2.388 179.066 176.600 0.130 0.000 0.991 498 E CA 1.566 58.046 56.400 0.134 0.000 0.810 498 E CB -0.208 29.610 29.700 0.196 0.000 0.742 498 E HN 0.521 nan 8.360 nan 0.000 0.466 499 S N 0.647 116.417 115.700 0.117 0.000 2.368 499 S HA -0.153 4.318 4.470 0.002 0.000 0.225 499 S C 2.111 176.824 174.600 0.190 0.000 1.030 499 S CA 1.003 59.291 58.200 0.148 0.000 0.999 499 S CB -0.111 63.174 63.200 0.142 0.000 0.844 499 S HN 0.397 nan 8.310 nan 0.000 0.459 500 A N 0.973 123.886 122.820 0.154 0.000 1.930 500 A HA 0.002 4.323 4.320 0.002 0.000 0.217 500 A C 2.304 180.036 177.584 0.247 0.000 1.175 500 A CA 1.186 53.356 52.037 0.223 0.000 0.627 500 A CB -0.774 18.317 19.000 0.151 0.000 0.815 500 A HN 0.335 nan 8.150 nan 0.000 0.443 501 V N -0.082 119.904 119.914 0.119 0.000 2.343 501 V HA -0.260 3.862 4.120 0.002 0.000 0.247 501 V C 3.046 179.054 176.094 -0.143 0.000 1.051 501 V CA 1.951 64.273 62.300 0.037 0.000 1.036 501 V CB -1.157 30.672 31.823 0.010 0.000 0.654 501 V HN 0.608 nan 8.190 nan 0.000 0.451 502 A N -1.490 121.174 122.820 -0.259 0.000 1.933 502 A HA -0.248 4.073 4.320 0.002 0.000 0.218 502 A C 1.968 179.367 177.584 -0.308 0.000 1.175 502 A CA 1.750 53.386 52.037 -0.668 0.000 0.628 502 A CB -0.828 17.980 19.000 -0.319 0.000 0.814 502 A HN 0.664 nan 8.150 nan 0.000 0.444 503 W N 0.194 121.458 121.300 -0.060 0.000 2.381 503 W HA -0.110 4.551 4.660 0.002 0.000 0.301 503 W C 2.448 179.122 176.519 0.259 0.000 1.205 503 W CA 1.799 59.208 57.345 0.108 0.000 1.285 503 W CB 0.120 29.653 29.460 0.121 0.000 1.133 503 W HN 0.300 nan 8.180 nan 0.000 0.521 504 K N -0.707 120.035 120.400 0.571 0.000 2.026 504 K HA -0.286 4.035 4.320 0.002 0.000 0.208 504 K C 2.004 178.731 176.600 0.212 0.000 1.048 504 K CA 1.721 58.257 56.287 0.416 0.000 0.929 504 K CB -0.799 31.877 32.500 0.293 0.000 0.713 504 K HN 0.174 nan 8.250 nan 0.000 0.439 505 Y N 0.732 120.986 120.300 -0.076 0.000 2.128 505 Y HA -0.187 4.364 4.550 0.002 0.000 0.284 505 Y C 2.132 177.982 175.900 -0.084 0.000 1.154 505 Y CA 2.150 60.161 58.100 -0.148 0.000 1.149 505 Y CB -0.662 37.517 38.460 -0.468 0.000 0.976 505 Y HN 0.189 nan 8.280 nan 0.000 0.505 506 G N -0.672 108.151 108.800 0.039 0.000 2.402 506 G HA2 -0.246 3.715 3.960 0.002 0.000 0.216 506 G HA3 -0.246 3.715 3.960 0.002 0.000 0.216 506 G C 1.648 176.566 174.900 0.030 0.000 1.162 506 G CA 1.602 46.706 45.100 0.006 0.000 0.777 506 G HN 0.508 nan 8.290 nan 0.000 0.539 507 V N -1.625 118.359 119.914 0.116 0.000 2.667 507 V HA 0.075 4.196 4.120 0.002 0.000 0.252 507 V C 1.961 178.009 176.094 -0.077 0.000 1.065 507 V CA 2.079 64.417 62.300 0.064 0.000 1.083 507 V CB -0.394 31.454 31.823 0.043 0.000 0.692 507 V HN 0.427 nan 8.190 nan 0.000 0.468 508 E N 0.406 120.555 120.200 -0.086 0.000 2.478 508 E HA 0.096 4.447 4.350 0.002 0.000 0.194 508 E C 1.137 177.645 176.600 -0.152 0.000 1.045 508 E CA -0.279 56.049 56.400 -0.121 0.000 0.868 508 E CB 0.151 29.798 29.700 -0.087 0.000 0.885 508 E HN 0.562 nan 8.360 nan 0.000 0.505 509 R N 1.895 122.296 120.500 -0.165 0.000 2.242 509 R HA 0.023 4.364 4.340 0.002 0.000 0.334 509 R C 0.886 177.145 176.300 -0.067 0.000 1.071 509 R CA 0.057 56.062 56.100 -0.158 0.000 0.922 509 R CB 0.344 30.556 30.300 -0.146 0.000 1.023 509 R HN 0.076 nan 8.270 nan 0.000 0.458 510 Q N 1.783 121.549 119.800 -0.057 0.000 2.354 510 Q HA -0.059 4.282 4.340 0.002 0.000 0.203 510 Q C -0.032 175.966 176.000 -0.004 0.000 0.933 510 Q CA 0.813 56.599 55.803 -0.028 0.000 0.901 510 Q CB 0.558 29.277 28.738 -0.031 0.000 1.007 510 Q HN 0.714 nan 8.270 nan 0.000 0.495 511 D N -0.671 119.731 120.400 0.003 0.000 2.501 511 D HA 0.313 4.954 4.640 0.002 0.000 0.226 511 D C 0.437 176.761 176.300 0.039 0.000 1.198 511 D CA -0.111 53.902 54.000 0.022 0.000 0.830 511 D CB 0.505 41.318 40.800 0.021 0.000 1.014 511 D HN 0.101 nan 8.370 nan 0.000 0.496 512 G N 0.202 109.029 108.800 0.045 0.000 2.338 512 G HA2 0.381 4.342 3.960 0.002 0.000 0.295 512 G HA3 0.381 4.342 3.960 0.002 0.000 0.295 512 G C -3.436 171.508 174.900 0.073 0.000 1.461 512 G CA -1.063 44.076 45.100 0.064 0.000 0.817 512 G HN -0.069 nan 8.290 nan 0.000 0.556 513 P HA 0.531 nan 4.420 nan 0.000 0.278 513 P C -0.711 176.655 177.300 0.110 0.000 1.266 513 P CA -0.067 63.081 63.100 0.080 0.000 0.807 513 P CB 1.669 33.413 31.700 0.074 0.000 1.094 514 T N 0.084 114.686 114.554 0.081 0.000 2.937 514 T HA 0.574 4.925 4.350 0.002 0.000 0.297 514 T C -0.658 174.060 174.700 0.031 0.000 0.991 514 T CA -0.318 61.856 62.100 0.124 0.000 0.990 514 T CB 1.219 70.159 68.868 0.120 0.000 0.991 514 T HN 0.480 nan 8.240 nan 0.000 0.440 515 A N 3.931 126.808 122.820 0.096 0.000 2.292 515 A HA 0.812 5.133 4.320 0.002 0.000 0.319 515 A C -0.422 177.194 177.584 0.052 0.000 1.206 515 A CA -0.676 51.376 52.037 0.025 0.000 0.835 515 A CB 0.359 19.472 19.000 0.188 0.000 1.164 515 A HN 0.845 nan 8.150 nan 0.000 0.505 516 L N 3.591 124.765 121.223 -0.082 0.000 2.282 516 L HA 0.405 4.746 4.340 0.002 0.000 0.288 516 L C -0.699 176.215 176.870 0.074 0.000 1.033 516 L CA -0.654 54.174 54.840 -0.021 0.000 0.807 516 L CB 1.250 43.188 42.059 -0.202 0.000 1.209 516 L HN 0.485 nan 8.230 nan 0.000 0.423 517 I N 5.554 126.202 120.570 0.129 0.000 2.337 517 I HA 0.402 4.573 4.170 0.002 0.000 0.285 517 I C -0.054 176.133 176.117 0.116 0.000 1.041 517 I CA -0.160 61.226 61.300 0.143 0.000 1.199 517 I CB 0.866 38.935 38.000 0.114 0.000 1.370 517 I HN 0.469 nan 8.210 nan 0.000 0.470 518 L N 4.859 126.157 121.223 0.126 0.000 2.333 518 L HA 0.560 4.901 4.340 0.002 0.000 0.269 518 L C 0.600 177.515 176.870 0.075 0.000 1.010 518 L CA -0.673 54.230 54.840 0.106 0.000 0.818 518 L CB 2.194 44.331 42.059 0.130 0.000 1.306 518 L HN 0.589 nan 8.230 nan 0.000 0.430 519 S N 0.659 116.381 115.700 0.036 0.000 2.646 519 S HA 0.389 4.860 4.470 0.002 0.000 0.276 519 S C 0.612 175.156 174.600 -0.093 0.000 1.222 519 S CA -0.670 57.517 58.200 -0.023 0.000 1.014 519 S CB 2.059 65.252 63.200 -0.012 0.000 0.991 519 S HN 0.760 nan 8.310 nan 0.000 0.533 520 R N 0.627 120.994 120.500 -0.221 0.000 2.100 520 R HA 0.028 4.369 4.340 0.002 0.000 0.220 520 R C 0.829 177.039 176.300 -0.149 0.000 1.091 520 R CA 0.521 56.409 56.100 -0.353 0.000 0.986 520 R CB -0.129 29.810 30.300 -0.603 0.000 0.888 520 R HN 0.884 nan 8.270 nan 0.000 0.444 521 Q N 1.315 121.065 119.800 -0.083 0.000 2.260 521 Q HA 0.123 4.464 4.340 0.002 0.000 0.238 521 Q C -1.079 174.911 176.000 -0.017 0.000 0.948 521 Q CA -0.452 55.336 55.803 -0.026 0.000 0.895 521 Q CB 0.638 29.389 28.738 0.022 0.000 1.218 521 Q HN 0.008 nan 8.270 nan 0.000 0.470 522 N N 1.393 120.087 118.700 -0.010 0.000 2.518 522 N HA 0.279 5.021 4.740 0.002 0.000 0.266 522 N C -0.547 174.949 175.510 -0.023 0.000 1.196 522 N CA 0.061 53.105 53.050 -0.011 0.000 0.947 522 N CB 0.531 39.013 38.487 -0.008 0.000 1.098 522 N HN 0.472 nan 8.380 nan 0.000 0.450 523 L N 1.156 122.366 121.223 -0.022 0.000 2.362 523 L HA 0.546 4.887 4.340 0.002 0.000 0.275 523 L C 0.446 177.298 176.870 -0.030 0.000 0.998 523 L CA -1.163 53.657 54.840 -0.034 0.000 0.820 523 L CB 1.652 43.697 42.059 -0.024 0.000 1.270 523 L HN 0.426 nan 8.230 nan 0.000 0.415 524 A N 2.764 125.559 122.820 -0.041 0.000 2.445 524 A HA 0.241 4.562 4.320 0.002 0.000 0.242 524 A C -0.092 177.476 177.584 -0.027 0.000 1.075 524 A CA -0.036 51.981 52.037 -0.034 0.000 0.777 524 A CB 0.529 19.503 19.000 -0.042 0.000 1.013 524 A HN 0.792 nan 8.150 nan 0.000 0.493 525 Q N 0.824 120.612 119.800 -0.021 0.000 2.293 525 Q HA 0.281 4.622 4.340 0.002 0.000 0.251 525 Q C -0.557 175.434 176.000 -0.014 0.000 0.930 525 Q CA -0.435 55.359 55.803 -0.015 0.000 0.893 525 Q CB 0.573 29.301 28.738 -0.018 0.000 1.215 525 Q HN 0.727 nan 8.270 nan 0.000 0.425 526 Q N 2.106 121.903 119.800 -0.005 0.000 2.222 526 Q HA 0.261 4.602 4.340 0.002 0.000 0.252 526 Q C -0.916 175.088 176.000 0.006 0.000 0.926 526 Q CA -0.254 55.548 55.803 -0.003 0.000 0.899 526 Q CB 1.517 30.259 28.738 0.008 0.000 1.250 526 Q HN 0.665 nan 8.270 nan 0.000 0.441 527 E N 1.623 121.825 120.200 0.003 0.000 2.301 527 E HA 0.369 4.720 4.350 0.002 0.000 0.275 527 E C -0.463 176.150 176.600 0.021 0.000 1.030 527 E CA -0.162 56.242 56.400 0.006 0.000 0.852 527 E CB 1.053 30.755 29.700 0.004 0.000 1.060 527 E HN 0.199 nan 8.360 nan 0.000 0.401 528 R N 0.683 121.194 120.500 0.018 0.000 2.725 528 R HA 0.295 4.636 4.340 0.002 0.000 0.277 528 R C -0.268 176.040 176.300 0.013 0.000 0.987 528 R CA -0.691 55.425 56.100 0.028 0.000 0.901 528 R CB 1.829 32.142 30.300 0.022 0.000 1.207 528 R HN 0.626 nan 8.270 nan 0.000 0.463 529 T N -1.446 113.120 114.554 0.020 0.000 2.770 529 T HA 0.114 4.465 4.350 0.002 0.000 0.281 529 T C 0.989 175.689 174.700 -0.000 0.000 0.981 529 T CA -0.527 61.581 62.100 0.012 0.000 0.955 529 T CB 0.705 69.586 68.868 0.022 0.000 1.060 529 T HN 0.454 nan 8.240 nan 0.000 0.531 530 E N 0.194 120.393 120.200 -0.002 0.000 2.110 530 E HA -0.036 4.315 4.350 0.002 0.000 0.193 530 E C 2.130 178.724 176.600 -0.011 0.000 0.988 530 E CA 1.155 57.549 56.400 -0.010 0.000 0.804 530 E CB -0.365 29.332 29.700 -0.005 0.000 0.745 530 E HN 0.753 nan 8.360 nan 0.000 0.458 531 E N 0.146 120.349 120.200 0.005 0.000 2.072 531 E HA -0.136 4.215 4.350 0.002 0.000 0.191 531 E C 1.995 178.596 176.600 0.001 0.000 0.985 531 E CA 1.031 57.440 56.400 0.015 0.000 0.801 531 E CB -0.071 29.653 29.700 0.040 0.000 0.750 531 E HN 0.316 nan 8.360 nan 0.000 0.452 532 Q N -0.231 119.570 119.800 0.002 0.000 2.167 532 Q HA -0.096 4.245 4.340 0.002 0.000 0.202 532 Q C 2.110 177.993 176.000 -0.194 0.000 0.970 532 Q CA 0.747 56.525 55.803 -0.041 0.000 0.855 532 Q CB -0.090 28.682 28.738 0.057 0.000 0.911 532 Q HN 0.196 nan 8.270 nan 0.000 0.438 533 L N 0.578 121.732 121.223 -0.115 0.000 2.083 533 L HA -0.101 4.241 4.340 0.002 0.000 0.209 533 L C 2.119 178.911 176.870 -0.130 0.000 1.083 533 L CA 1.824 56.586 54.840 -0.130 0.000 0.752 533 L CB -0.537 41.481 42.059 -0.069 0.000 0.899 533 L HN 0.120 nan 8.230 nan 0.000 0.433 534 A N -0.765 122.001 122.820 -0.089 0.000 2.015 534 A HA -0.148 4.173 4.320 0.002 0.000 0.219 534 A C 1.913 179.447 177.584 -0.083 0.000 1.163 534 A CA 1.540 53.540 52.037 -0.063 0.000 0.646 534 A CB -0.636 18.344 19.000 -0.033 0.000 0.806 534 A HN 0.571 nan 8.150 nan 0.000 0.448 535 N N -0.040 118.578 118.700 -0.136 0.000 2.515 535 N HA 0.062 4.803 4.740 0.002 0.000 0.185 535 N C 1.352 176.744 175.510 -0.197 0.000 1.109 535 N CA 0.474 53.459 53.050 -0.109 0.000 0.903 535 N CB -0.295 38.211 38.487 0.031 0.000 0.969 535 N HN 0.578 nan 8.380 nan 0.000 0.450 536 I N 0.656 121.002 120.570 -0.372 0.000 2.264 536 I HA -0.231 3.941 4.170 0.002 0.000 0.248 536 I C 2.009 178.228 176.117 0.171 0.000 1.111 536 I CA 0.929 62.089 61.300 -0.233 0.000 1.382 536 I CB -0.248 37.667 38.000 -0.143 0.000 1.060 536 I HN 0.053 nan 8.210 nan 0.000 0.418 537 A N 0.569 123.476 122.820 0.145 0.000 2.216 537 A HA -0.084 4.237 4.320 0.002 0.000 0.214 537 A C 2.144 179.896 177.584 0.281 0.000 1.160 537 A CA 0.787 52.992 52.037 0.281 0.000 0.725 537 A CB -0.523 18.599 19.000 0.204 0.000 0.784 537 A HN 0.358 nan 8.150 nan 0.000 0.472 538 R N -1.294 119.306 120.500 0.166 0.000 2.313 538 R HA 0.163 4.504 4.340 0.002 0.000 0.199 538 R C 1.607 178.046 176.300 0.231 0.000 0.958 538 R CA 0.556 56.725 56.100 0.115 0.000 1.047 538 R CB -0.101 30.149 30.300 -0.084 0.000 0.955 538 R HN 0.632 nan 8.270 nan 0.000 0.481 539 G N 0.170 109.092 108.800 0.202 0.000 2.417 539 G HA2 -0.268 3.693 3.960 0.002 0.000 0.233 539 G HA3 -0.268 3.693 3.960 0.002 0.000 0.233 539 G C 0.313 175.280 174.900 0.110 0.000 1.103 539 G CA -0.086 45.008 45.100 -0.011 0.000 0.647 539 G HN 0.621 nan 8.290 nan 0.000 0.512 540 G N -0.701 108.310 108.800 0.350 0.000 2.719 540 G HA2 0.877 4.838 3.960 0.002 0.000 0.298 540 G HA3 0.877 4.838 3.960 0.002 0.000 0.298 540 G C -1.017 174.124 174.900 0.401 0.000 1.411 540 G CA 0.146 45.291 45.100 0.076 0.000 0.991 540 G HN 1.705 nan 8.290 nan 0.000 0.509 541 Y N -0.996 119.345 120.300 0.070 0.000 2.624 541 Y HA 0.658 5.209 4.550 0.002 0.000 0.334 541 Y C -0.992 174.921 175.900 0.021 0.000 1.155 541 Y CA -1.660 56.527 58.100 0.145 0.000 1.046 541 Y CB 0.966 39.545 38.460 0.197 0.000 1.316 541 Y HN 0.457 nan 8.280 nan 0.000 0.457 542 V N 3.861 123.837 119.914 0.103 0.000 2.470 542 V HA 0.053 4.174 4.120 0.002 0.000 0.276 542 V C 0.527 176.632 176.094 0.018 0.000 1.040 542 V CA 0.080 62.365 62.300 -0.026 0.000 1.008 542 V CB 0.694 32.530 31.823 0.022 0.000 0.990 542 V HN 0.901 nan 8.190 nan 0.000 0.477 543 L N 4.942 126.068 121.223 -0.163 0.000 2.286 543 L HA 0.391 4.732 4.340 0.002 0.000 0.203 543 L C 0.785 177.573 176.870 -0.136 0.000 1.068 543 L CA 1.510 56.285 54.840 -0.109 0.000 0.811 543 L CB 0.076 41.981 42.059 -0.257 0.000 0.989 543 L HN 0.424 nan 8.230 nan 0.000 0.467 544 K N 0.526 120.770 120.400 -0.260 0.000 2.378 544 K HA 0.456 4.777 4.320 0.002 0.000 0.252 544 K C -1.452 174.993 176.600 -0.259 0.000 0.931 544 K CA -0.530 55.517 56.287 -0.400 0.000 0.794 544 K CB 2.192 34.071 32.500 -1.035 0.000 1.181 544 K HN -0.084 nan 8.250 nan 0.000 0.425 545 D N 0.319 120.682 120.400 -0.062 0.000 2.559 545 D HA 0.489 5.130 4.640 0.002 0.000 0.250 545 D C -0.764 175.651 176.300 0.192 0.000 1.135 545 D CA -0.341 53.701 54.000 0.071 0.000 0.955 545 D CB 1.468 42.293 40.800 0.041 0.000 1.442 545 D HN 0.631 nan 8.370 nan 0.000 0.471 546 C N -0.045 119.350 119.300 0.158 0.000 2.486 546 C HA 0.991 5.452 4.460 0.002 0.000 0.348 546 C C 0.486 175.520 174.990 0.072 0.000 1.203 546 C CA -1.018 58.075 59.018 0.125 0.000 1.911 546 C CB 0.303 28.101 27.740 0.096 0.000 2.340 546 C HN 0.620 nan 8.230 nan 0.000 0.511 547 A N 1.361 124.212 122.820 0.052 0.000 2.409 547 A HA 0.685 5.006 4.320 0.002 0.000 0.262 547 A C 0.923 178.524 177.584 0.028 0.000 1.113 547 A CA 0.949 53.008 52.037 0.036 0.000 0.790 547 A CB -0.874 18.143 19.000 0.027 0.000 1.046 547 A HN 3.016 nan 8.150 nan 0.000 0.496 548 G N 0.631 109.446 108.800 0.024 0.000 2.660 548 G HA2 -0.064 3.897 3.960 0.002 0.000 0.247 548 G HA3 -0.064 3.897 3.960 0.002 0.000 0.247 548 G C -0.217 174.694 174.900 0.018 0.000 1.328 548 G CA 0.010 45.121 45.100 0.018 0.000 0.884 548 G HN 1.142 nan 8.290 nan 0.000 0.531 549 Q N 0.683 120.490 119.800 0.012 0.000 2.259 549 Q HA 0.519 4.860 4.340 0.002 0.000 0.249 549 Q C -1.862 174.142 176.000 0.007 0.000 0.914 549 Q CA -1.611 54.197 55.803 0.009 0.000 0.904 549 Q CB 1.197 29.938 28.738 0.005 0.000 1.213 549 Q HN 0.475 nan 8.270 nan 0.000 0.428 550 P HA 0.046 nan 4.420 nan 0.000 0.275 550 P C -0.850 176.441 177.300 -0.016 0.000 1.228 550 P CA 0.230 63.332 63.100 0.003 0.000 0.786 550 P CB 0.764 32.466 31.700 0.003 0.000 0.927 551 E N 0.641 120.826 120.200 -0.025 0.000 2.340 551 E HA 0.141 4.492 4.350 0.002 0.000 0.194 551 E C 0.228 176.785 176.600 -0.071 0.000 0.996 551 E CA 0.216 56.592 56.400 -0.040 0.000 0.869 551 E CB 0.228 29.905 29.700 -0.038 0.000 0.835 551 E HN 0.226 nan 8.360 nan 0.000 0.493 552 L N 0.825 121.992 121.223 -0.093 0.000 2.526 552 L HA 0.437 4.778 4.340 0.002 0.000 0.263 552 L C -1.846 174.891 176.870 -0.222 0.000 0.943 552 L CA -0.439 54.291 54.840 -0.182 0.000 0.859 552 L CB 1.891 43.805 42.059 -0.241 0.000 1.313 552 L HN -0.146 nan 8.230 nan 0.000 0.406 553 I N 4.236 124.644 120.570 -0.270 0.000 2.465 553 I HA 0.413 4.584 4.170 0.002 0.000 0.291 553 I C -1.124 174.796 176.117 -0.328 0.000 1.014 553 I CA -0.432 60.739 61.300 -0.215 0.000 1.093 553 I CB 1.731 39.661 38.000 -0.117 0.000 1.267 553 I HN 0.418 nan 8.210 nan 0.000 0.431 554 F N 6.078 125.978 119.950 -0.082 0.000 2.420 554 F HA 0.538 5.066 4.527 0.002 0.000 0.342 554 F C 0.155 175.840 175.800 -0.192 0.000 1.113 554 F CA -0.475 57.450 58.000 -0.125 0.000 1.059 554 F CB 1.257 40.195 39.000 -0.102 0.000 1.128 554 F HN 0.144 nan 8.300 nan 0.000 0.475 555 I N 3.324 123.848 120.570 -0.075 0.000 2.389 555 I HA 0.707 4.878 4.170 0.002 0.000 0.288 555 I C -0.327 175.583 176.117 -0.346 0.000 0.999 555 I CA -0.430 60.725 61.300 -0.242 0.000 1.129 555 I CB 1.358 39.182 38.000 -0.294 0.000 1.288 555 I HN 0.691 nan 8.210 nan 0.000 0.444 556 A N 4.070 126.704 122.820 -0.311 0.000 2.569 556 A HA 0.972 5.293 4.320 0.002 0.000 0.290 556 A C -0.494 176.944 177.584 -0.243 0.000 1.136 556 A CA -0.536 51.316 52.037 -0.309 0.000 0.710 556 A CB 2.075 20.943 19.000 -0.219 0.000 1.303 556 A HN 0.639 nan 8.150 nan 0.000 0.413 557 T N -2.503 111.948 114.554 -0.172 0.000 2.864 557 T HA 0.720 5.071 4.350 0.002 0.000 0.299 557 T C 0.869 175.534 174.700 -0.059 0.000 1.166 557 T CA 0.531 62.585 62.100 -0.078 0.000 1.007 557 T CB 0.949 69.829 68.868 0.020 0.000 1.219 557 T HN 2.642 nan 8.240 nan 0.000 0.506 558 G N 2.108 110.896 108.800 -0.021 0.000 2.684 558 G HA2 -0.379 3.582 3.960 0.002 0.000 0.332 558 G HA3 -0.379 3.582 3.960 0.002 0.000 0.332 558 G C 1.349 176.217 174.900 -0.053 0.000 1.306 558 G CA 2.098 47.191 45.100 -0.013 0.000 1.002 558 G HN 2.128 nan 8.290 nan 0.000 0.545 559 S N -0.149 115.510 115.700 -0.068 0.000 2.469 559 S HA 0.020 4.491 4.470 0.002 0.000 0.238 559 S C 1.710 176.200 174.600 -0.183 0.000 0.998 559 S CA 2.078 60.205 58.200 -0.121 0.000 0.957 559 S CB 0.034 63.160 63.200 -0.124 0.000 0.764 559 S HN 0.615 nan 8.310 nan 0.000 0.514 560 E N 0.814 120.914 120.200 -0.166 0.000 2.489 560 E HA 0.216 4.567 4.350 0.002 0.000 0.193 560 E C 1.683 178.188 176.600 -0.158 0.000 1.057 560 E CA 0.025 56.325 56.400 -0.167 0.000 0.866 560 E CB -0.186 29.444 29.700 -0.115 0.000 0.916 560 E HN 0.365 nan 8.360 nan 0.000 0.500 561 V N 0.917 120.742 119.914 -0.148 0.000 2.407 561 V HA -0.289 3.832 4.120 0.002 0.000 0.248 561 V C 1.916 177.913 176.094 -0.160 0.000 1.055 561 V CA 1.861 64.068 62.300 -0.156 0.000 1.049 561 V CB -0.306 31.439 31.823 -0.129 0.000 0.662 561 V HN 0.314 nan 8.190 nan 0.000 0.455 562 E N -0.217 119.895 120.200 -0.146 0.000 2.085 562 E HA -0.231 4.120 4.350 0.002 0.000 0.194 562 E C 2.282 178.789 176.600 -0.154 0.000 0.994 562 E CA 1.349 57.667 56.400 -0.137 0.000 0.801 562 E CB -0.191 29.428 29.700 -0.134 0.000 0.743 562 E HN 0.474 nan 8.360 nan 0.000 0.453 563 L N 0.250 121.370 121.223 -0.171 0.000 2.046 563 L HA -0.203 4.138 4.340 0.002 0.000 0.208 563 L C 2.453 179.176 176.870 -0.245 0.000 1.077 563 L CA 1.151 55.888 54.840 -0.172 0.000 0.747 563 L CB -0.330 41.649 42.059 -0.133 0.000 0.896 563 L HN 0.178 nan 8.230 nan 0.000 0.432 564 A N -1.043 121.602 122.820 -0.291 0.000 1.968 564 A HA -0.113 4.208 4.320 0.002 0.000 0.217 564 A C 2.200 179.522 177.584 -0.435 0.000 1.169 564 A CA 1.247 52.981 52.037 -0.505 0.000 0.638 564 A CB -0.548 18.216 19.000 -0.393 0.000 0.812 564 A HN 0.248 nan 8.150 nan 0.000 0.446 565 V N -0.148 119.618 119.914 -0.248 0.000 2.358 565 V HA -0.229 3.892 4.120 0.002 0.000 0.246 565 V C 3.030 179.093 176.094 -0.051 0.000 1.047 565 V CA 1.856 64.072 62.300 -0.139 0.000 1.035 565 V CB -1.097 30.651 31.823 -0.126 0.000 0.658 565 V HN 0.594 nan 8.190 nan 0.000 0.452 566 A N -0.093 122.661 122.820 -0.109 0.000 1.930 566 A HA -0.062 4.259 4.320 0.002 0.000 0.217 566 A C 2.389 179.913 177.584 -0.100 0.000 1.175 566 A CA 1.914 53.904 52.037 -0.079 0.000 0.627 566 A CB -0.637 18.310 19.000 -0.087 0.000 0.815 566 A HN 0.555 nan 8.150 nan 0.000 0.443 567 A N -1.369 121.324 122.820 -0.212 0.000 1.930 567 A HA -0.054 4.267 4.320 0.002 0.000 0.217 567 A C 2.099 179.608 177.584 -0.124 0.000 1.175 567 A CA 1.504 53.400 52.037 -0.236 0.000 0.627 567 A CB -0.788 17.922 19.000 -0.483 0.000 0.815 567 A HN 0.792 nan 8.150 nan 0.000 0.443 568 Y N 0.868 121.001 120.300 -0.280 0.000 2.181 568 Y HA -0.211 4.340 4.550 0.002 0.000 0.288 568 Y C 2.123 178.016 175.900 -0.012 0.000 1.146 568 Y CA 2.266 60.347 58.100 -0.031 0.000 1.164 568 Y CB -0.294 38.145 38.460 -0.035 0.000 0.982 568 Y HN 0.452 nan 8.280 nan 0.000 0.515 569 E N 0.221 120.420 120.200 -0.002 0.000 2.077 569 E HA -0.237 4.114 4.350 0.002 0.000 0.193 569 E C 2.168 178.691 176.600 -0.127 0.000 0.989 569 E CA 1.405 57.746 56.400 -0.098 0.000 0.800 569 E CB -0.139 29.574 29.700 0.021 0.000 0.746 569 E HN 0.429 nan 8.360 nan 0.000 0.452 570 K N 0.769 121.121 120.400 -0.081 0.000 2.026 570 K HA -0.131 4.190 4.320 0.002 0.000 0.208 570 K C 2.047 178.606 176.600 -0.067 0.000 1.048 570 K CA 1.013 57.263 56.287 -0.061 0.000 0.929 570 K CB -0.004 32.471 32.500 -0.040 0.000 0.713 570 K HN 0.050 nan 8.250 nan 0.000 0.439 571 L N 0.465 121.652 121.223 -0.059 0.000 2.156 571 L HA -0.128 4.213 4.340 0.002 0.000 0.208 571 L C 2.582 179.382 176.870 -0.116 0.000 1.095 571 L CA 1.528 56.340 54.840 -0.048 0.000 0.770 571 L CB -0.801 41.281 42.059 0.038 0.000 0.914 571 L HN 0.449 nan 8.230 nan 0.000 0.439 572 T N -2.400 112.009 114.554 -0.242 0.000 2.821 572 T HA -0.130 4.221 4.350 0.002 0.000 0.267 572 T C 1.983 176.589 174.700 -0.158 0.000 1.046 572 T CA 0.926 62.863 62.100 -0.273 0.000 1.139 572 T CB -0.383 68.186 68.868 -0.499 0.000 0.871 572 T HN 0.286 nan 8.240 nan 0.000 0.454 573 A N 2.103 124.843 122.820 -0.133 0.000 1.978 573 A HA -0.088 4.233 4.320 0.002 0.000 0.220 573 A C 2.125 179.673 177.584 -0.060 0.000 1.170 573 A CA 1.454 53.442 52.037 -0.081 0.000 0.636 573 A CB -0.631 18.330 19.000 -0.064 0.000 0.810 573 A HN 0.715 nan 8.150 nan 0.000 0.448 574 E N -1.401 118.764 120.200 -0.058 0.000 2.494 574 E HA 0.262 4.613 4.350 0.002 0.000 0.193 574 E C 1.076 177.652 176.600 -0.041 0.000 1.074 574 E CA 0.241 56.616 56.400 -0.042 0.000 0.867 574 E CB -0.174 29.506 29.700 -0.034 0.000 0.924 574 E HN 0.753 nan 8.360 nan 0.000 0.502 575 G N 0.935 109.704 108.800 -0.051 0.000 2.176 575 G HA2 -0.273 3.688 3.960 0.002 0.000 0.253 575 G HA3 -0.273 3.688 3.960 0.002 0.000 0.253 575 G C 0.411 175.285 174.900 -0.044 0.000 0.979 575 G CA 0.099 45.173 45.100 -0.043 0.000 0.641 575 G HN 0.173 nan 8.290 nan 0.000 0.530 576 V N 1.110 120.993 119.914 -0.051 0.000 2.614 576 V HA 0.279 4.400 4.120 0.002 0.000 0.291 576 V C 0.958 177.024 176.094 -0.047 0.000 1.049 576 V CA -0.010 62.263 62.300 -0.044 0.000 1.038 576 V CB 1.462 33.262 31.823 -0.038 0.000 0.980 576 V HN 0.271 nan 8.190 nan 0.000 0.481 577 K N 4.008 124.392 120.400 -0.027 0.000 2.219 577 K HA 0.582 4.903 4.320 0.002 0.000 0.280 577 K C -0.090 176.520 176.600 0.016 0.000 1.104 577 K CA 0.047 56.331 56.287 -0.005 0.000 0.925 577 K CB 0.832 33.332 32.500 0.000 0.000 1.261 577 K HN 0.827 nan 8.250 nan 0.000 0.445 578 A N 3.450 126.307 122.820 0.061 0.000 2.350 578 A HA 0.690 5.011 4.320 0.002 0.000 0.318 578 A C -0.751 177.028 177.584 0.324 0.000 1.132 578 A CA -0.821 51.308 52.037 0.153 0.000 0.811 578 A CB 1.362 20.494 19.000 0.219 0.000 1.313 578 A HN 0.742 nan 8.150 nan 0.000 0.454 579 R N 0.444 121.091 120.500 0.246 0.000 2.725 579 R HA 0.676 5.017 4.340 0.002 0.000 0.277 579 R C -2.202 174.162 176.300 0.107 0.000 0.987 579 R CA -0.414 55.771 56.100 0.142 0.000 0.901 579 R CB 2.058 32.381 30.300 0.038 0.000 1.207 579 R HN 0.507 nan 8.270 nan 0.000 0.463 580 V N 3.795 123.657 119.914 -0.087 0.000 2.448 580 V HA 0.427 4.548 4.120 0.002 0.000 0.295 580 V C -0.558 175.424 176.094 -0.186 0.000 1.025 580 V CA -0.747 61.492 62.300 -0.100 0.000 0.859 580 V CB 1.835 33.513 31.823 -0.242 0.000 0.988 580 V HN 0.515 nan 8.190 nan 0.000 0.431 581 V N 3.708 123.505 119.914 -0.194 0.000 2.417 581 V HA 0.441 4.562 4.120 0.002 0.000 0.291 581 V C 0.289 176.156 176.094 -0.378 0.000 1.024 581 V CA -0.257 61.862 62.300 -0.302 0.000 0.861 581 V CB 1.976 33.632 31.823 -0.278 0.000 0.985 581 V HN 0.876 nan 8.190 nan 0.000 0.436 582 S N 5.567 120.926 115.700 -0.568 0.000 2.499 582 S HA 0.591 5.062 4.470 0.002 0.000 0.279 582 S C -0.262 174.082 174.600 -0.427 0.000 1.219 582 S CA -0.523 57.375 58.200 -0.503 0.000 1.062 582 S CB 0.467 63.287 63.200 -0.633 0.000 0.978 582 S HN 0.758 nan 8.310 nan 0.000 0.489 583 M N 8.120 127.562 119.600 -0.264 0.000 2.488 583 M HA 0.348 4.829 4.480 0.002 0.000 0.204 583 M C -1.932 174.296 176.300 -0.121 0.000 0.969 583 M CA -2.198 52.972 55.300 -0.217 0.000 0.720 583 M CB 1.307 33.751 32.600 -0.260 0.000 1.427 583 M HN 0.486 nan 8.290 nan 0.000 0.427 584 P HA -0.050 nan 4.420 nan 0.000 0.218 584 P C 0.193 177.287 177.300 -0.342 0.000 1.149 584 P CA 0.916 63.990 63.100 -0.043 0.000 0.817 584 P CB 0.276 32.097 31.700 0.201 0.000 0.785 585 S N -1.070 114.267 115.700 -0.604 0.000 2.733 585 S HA 0.334 4.805 4.470 0.002 0.000 0.294 585 S C 1.010 175.367 174.600 -0.405 0.000 1.149 585 S CA -0.284 57.407 58.200 -0.850 0.000 1.034 585 S CB 0.708 62.699 63.200 -2.015 0.000 1.015 585 S HN 0.102 nan 8.310 nan 0.000 0.486 586 T N 1.031 115.452 114.554 -0.221 0.000 2.904 586 T HA -0.123 4.228 4.350 0.002 0.000 0.267 586 T C 1.409 176.159 174.700 0.084 0.000 1.059 586 T CA 1.492 63.593 62.100 0.002 0.000 1.137 586 T CB -0.552 68.381 68.868 0.108 0.000 0.879 586 T HN 0.782 nan 8.240 nan 0.000 0.467 587 D N 2.263 122.643 120.400 -0.033 0.000 2.144 587 D HA -0.043 4.598 4.640 0.002 0.000 0.200 587 D C 2.275 178.595 176.300 0.034 0.000 0.978 587 D CA 1.172 55.188 54.000 0.027 0.000 0.833 587 D CB -0.412 40.402 40.800 0.024 0.000 0.961 587 D HN 0.589 nan 8.370 nan 0.000 0.470 588 A N 0.593 123.365 122.820 -0.079 0.000 1.929 588 A HA -0.054 4.267 4.320 0.002 0.000 0.216 588 A C 2.024 179.657 177.584 0.081 0.000 1.176 588 A CA 0.781 52.814 52.037 -0.007 0.000 0.628 588 A CB -1.075 17.813 19.000 -0.186 0.000 0.816 588 A HN 0.249 nan 8.150 nan 0.000 0.444 589 F N 1.479 121.406 119.950 -0.039 0.000 2.102 589 F HA -0.180 4.348 4.527 0.002 0.000 0.298 589 F C 1.605 177.480 175.800 0.125 0.000 1.105 589 F CA 2.085 60.127 58.000 0.071 0.000 1.239 589 F CB -0.234 38.783 39.000 0.029 0.000 0.991 589 F HN 0.233 nan 8.300 nan 0.000 0.474 590 D N 0.263 120.738 120.400 0.126 0.000 2.218 590 D HA -0.150 4.491 4.640 0.002 0.000 0.204 590 D C 1.960 178.244 176.300 -0.026 0.000 0.976 590 D CA 1.146 55.175 54.000 0.047 0.000 0.853 590 D CB -0.289 40.599 40.800 0.148 0.000 0.939 590 D HN 0.385 nan 8.370 nan 0.000 0.481 591 K N 0.147 120.549 120.400 0.003 0.000 2.459 591 K HA 0.012 4.333 4.320 0.002 0.000 0.193 591 K C 0.728 177.316 176.600 -0.019 0.000 1.030 591 K CA 0.087 56.383 56.287 0.014 0.000 1.026 591 K CB 0.308 32.849 32.500 0.067 0.000 0.809 591 K HN 0.139 nan 8.250 nan 0.000 0.504 592 Q N 1.807 121.560 119.800 -0.077 0.000 2.443 592 Q HA -0.015 4.326 4.340 0.002 0.000 0.232 592 Q C -0.006 175.971 176.000 -0.038 0.000 1.026 592 Q CA 0.258 56.022 55.803 -0.065 0.000 0.924 592 Q CB 0.303 29.008 28.738 -0.055 0.000 1.256 592 Q HN 0.327 nan 8.270 nan 0.000 0.519 593 D N -0.876 119.528 120.400 0.008 0.000 2.378 593 D HA 0.024 4.665 4.640 0.002 0.000 0.238 593 D C 0.498 176.816 176.300 0.030 0.000 1.180 593 D CA 0.334 54.349 54.000 0.025 0.000 0.895 593 D CB 0.684 41.508 40.800 0.041 0.000 1.192 593 D HN 0.497 nan 8.370 nan 0.000 0.438 594 A N 1.576 124.406 122.820 0.018 0.000 1.933 594 A HA -0.039 4.282 4.320 0.002 0.000 0.218 594 A C 2.254 179.854 177.584 0.027 0.000 1.175 594 A CA 2.309 54.353 52.037 0.011 0.000 0.628 594 A CB -0.945 18.062 19.000 0.012 0.000 0.814 594 A HN 0.737 nan 8.150 nan 0.000 0.444 595 A N -1.617 121.232 122.820 0.048 0.000 1.930 595 A HA -0.069 4.252 4.320 0.002 0.000 0.217 595 A C 2.117 179.745 177.584 0.073 0.000 1.175 595 A CA 1.579 53.648 52.037 0.054 0.000 0.627 595 A CB -0.784 18.253 19.000 0.061 0.000 0.815 595 A HN 0.705 nan 8.150 nan 0.000 0.443 596 Y N 0.829 121.131 120.300 0.004 0.000 2.128 596 Y HA -0.234 4.317 4.550 0.002 0.000 0.284 596 Y C 2.499 178.421 175.900 0.037 0.000 1.154 596 Y CA 2.185 60.298 58.100 0.021 0.000 1.149 596 Y CB -0.273 38.189 38.460 0.004 0.000 0.976 596 Y HN 0.263 nan 8.280 nan 0.000 0.505 597 R N -0.292 120.156 120.500 -0.087 0.000 2.096 597 R HA -0.183 4.158 4.340 0.002 0.000 0.235 597 R C 2.118 178.425 176.300 0.011 0.000 1.127 597 R CA 1.518 57.542 56.100 -0.126 0.000 0.968 597 R CB -0.353 29.806 30.300 -0.234 0.000 0.861 597 R HN 0.344 nan 8.270 nan 0.000 0.440 598 E N 1.065 121.260 120.200 -0.008 0.000 2.204 598 E HA -0.127 4.224 4.350 0.002 0.000 0.194 598 E C 1.748 178.337 176.600 -0.018 0.000 0.989 598 E CA 1.564 57.971 56.400 0.011 0.000 0.824 598 E CB 0.025 29.733 29.700 0.014 0.000 0.756 598 E HN 0.263 nan 8.360 nan 0.000 0.477 599 S N -1.195 114.461 115.700 -0.073 0.000 2.489 599 S HA -0.015 4.456 4.470 0.002 0.000 0.228 599 S C 1.812 176.345 174.600 -0.111 0.000 0.995 599 S CA 0.783 58.934 58.200 -0.082 0.000 0.934 599 S CB 0.056 63.207 63.200 -0.082 0.000 0.771 599 S HN 0.131 nan 8.310 nan 0.000 0.522 600 V N 0.868 120.695 119.914 -0.146 0.000 2.492 600 V HA 0.338 4.459 4.120 0.002 0.000 0.241 600 V C 0.946 177.022 176.094 -0.029 0.000 1.041 600 V CA 0.809 63.052 62.300 -0.095 0.000 1.057 600 V CB -0.324 31.460 31.823 -0.065 0.000 0.711 600 V HN 0.462 nan 8.190 nan 0.000 0.468 601 L N 3.158 124.406 121.223 0.043 0.000 2.502 601 L HA 0.370 4.712 4.340 0.002 0.000 0.247 601 L C -2.536 174.367 176.870 0.056 0.000 1.180 601 L CA -1.509 53.363 54.840 0.054 0.000 0.956 601 L CB 1.206 43.339 42.059 0.124 0.000 1.282 601 L HN 0.180 nan 8.230 nan 0.000 0.470 602 P HA -0.032 nan 4.420 nan 0.000 0.267 602 P C 0.392 177.707 177.300 0.025 0.000 1.205 602 P CA -0.044 63.068 63.100 0.020 0.000 0.765 602 P CB 1.194 32.898 31.700 0.006 0.000 0.828 603 K N 3.425 123.842 120.400 0.028 0.000 2.209 603 K HA -0.162 4.159 4.320 0.002 0.000 0.204 603 K C 1.671 178.280 176.600 0.016 0.000 1.048 603 K CA 1.487 57.790 56.287 0.027 0.000 0.940 603 K CB -0.388 32.127 32.500 0.025 0.000 0.729 603 K HN 0.440 nan 8.250 nan 0.000 0.451 604 A N 0.817 123.644 122.820 0.010 0.000 2.066 604 A HA 0.044 4.365 4.320 0.002 0.000 0.218 604 A C 0.725 178.308 177.584 -0.001 0.000 1.157 604 A CA 0.528 52.567 52.037 0.004 0.000 0.670 604 A CB 0.079 19.080 19.000 0.002 0.000 0.804 604 A HN 0.103 nan 8.150 nan 0.000 0.453 605 V N 1.737 121.649 119.914 -0.003 0.000 2.353 605 V HA 0.189 4.311 4.120 0.002 0.000 0.264 605 V C 1.346 177.432 176.094 -0.014 0.000 1.049 605 V CA 0.641 62.932 62.300 -0.014 0.000 0.896 605 V CB 0.464 32.274 31.823 -0.022 0.000 1.025 605 V HN 0.596 nan 8.190 nan 0.000 0.475 606 T N 1.020 115.564 114.554 -0.017 0.000 3.040 606 T HA 0.250 4.601 4.350 0.002 0.000 0.250 606 T C 0.889 175.571 174.700 -0.030 0.000 1.058 606 T CA 0.485 62.577 62.100 -0.012 0.000 0.988 606 T CB 0.351 69.217 68.868 -0.004 0.000 0.993 606 T HN 0.648 nan 8.240 nan 0.000 0.519 607 A N 2.221 125.010 122.820 -0.052 0.000 2.666 607 A HA 0.592 4.913 4.320 0.002 0.000 0.301 607 A C 0.157 177.666 177.584 -0.124 0.000 1.470 607 A CA -0.624 51.363 52.037 -0.082 0.000 1.159 607 A CB -0.397 18.546 19.000 -0.095 0.000 1.116 607 A HN 0.530 nan 8.150 nan 0.000 0.548 608 R N 1.009 121.445 120.500 -0.107 0.000 2.621 608 R HA 0.607 4.948 4.340 0.002 0.000 0.292 608 R C -1.462 174.757 176.300 -0.136 0.000 0.969 608 R CA -0.648 55.375 56.100 -0.128 0.000 0.887 608 R CB 2.567 32.835 30.300 -0.054 0.000 1.180 608 R HN 0.313 nan 8.270 nan 0.000 0.450 609 V N 2.098 121.896 119.914 -0.193 0.000 2.444 609 V HA 0.595 4.716 4.120 0.002 0.000 0.294 609 V C -0.296 175.737 176.094 -0.101 0.000 1.022 609 V CA -0.820 61.402 62.300 -0.130 0.000 0.850 609 V CB 1.623 33.374 31.823 -0.120 0.000 0.992 609 V HN 0.930 nan 8.190 nan 0.000 0.426 610 A N 4.718 127.436 122.820 -0.170 0.000 2.312 610 A HA 0.880 5.201 4.320 0.002 0.000 0.326 610 A C -0.684 176.687 177.584 -0.354 0.000 1.172 610 A CA -0.522 51.277 52.037 -0.396 0.000 0.821 610 A CB 1.409 20.062 19.000 -0.579 0.000 1.166 610 A HN 0.741 nan 8.150 nan 0.000 0.493 611 V N 2.346 122.022 119.914 -0.397 0.000 2.447 611 V HA 0.627 4.748 4.120 0.002 0.000 0.292 611 V C -0.388 175.589 176.094 -0.196 0.000 1.021 611 V CA -0.298 61.896 62.300 -0.177 0.000 0.850 611 V CB 1.002 32.778 31.823 -0.078 0.000 1.005 611 V HN 1.027 nan 8.190 nan 0.000 0.426 612 E N 3.733 123.921 120.200 -0.020 0.000 2.388 612 E HA 0.619 4.970 4.350 0.002 0.000 0.289 612 E C -0.749 175.934 176.600 0.138 0.000 0.944 612 E CA -0.691 55.715 56.400 0.010 0.000 0.792 612 E CB 1.992 31.712 29.700 0.033 0.000 1.239 612 E HN 0.757 nan 8.360 nan 0.000 0.412 613 A N 3.319 126.076 122.820 -0.105 0.000 3.063 613 A HA 0.591 4.912 4.320 0.002 0.000 0.263 613 A C 0.208 177.764 177.584 -0.046 0.000 1.736 613 A CA 0.710 52.585 52.037 -0.270 0.000 1.408 613 A CB -0.526 18.179 19.000 -0.492 0.000 1.108 613 A HN 0.548 nan 8.150 nan 0.000 0.621 614 G N -0.321 108.534 108.800 0.091 0.000 2.649 614 G HA2 0.475 4.436 3.960 0.002 0.000 0.290 614 G HA3 0.475 4.436 3.960 0.002 0.000 0.290 614 G C -0.826 174.161 174.900 0.144 0.000 1.426 614 G CA -0.805 44.349 45.100 0.090 0.000 0.794 614 G HN 0.391 nan 8.290 nan 0.000 0.483 615 I N 1.336 121.962 120.570 0.093 0.000 2.752 615 I HA 0.326 4.497 4.170 0.002 0.000 0.289 615 I C 1.718 177.952 176.117 0.196 0.000 1.197 615 I CA 0.752 62.107 61.300 0.092 0.000 1.432 615 I CB 1.221 39.244 38.000 0.038 0.000 1.359 615 I HN 0.718 nan 8.210 nan 0.000 0.571 616 A N 4.987 127.909 122.820 0.169 0.000 1.930 616 A HA -0.132 4.189 4.320 0.002 0.000 0.217 616 A C 1.774 179.475 177.584 0.195 0.000 1.175 616 A CA 1.560 53.719 52.037 0.203 0.000 0.627 616 A CB -0.585 18.478 19.000 0.104 0.000 0.815 616 A HN 0.821 nan 8.150 nan 0.000 0.443 617 D N -1.643 118.872 120.400 0.192 0.000 2.221 617 D HA -0.162 4.479 4.640 0.002 0.000 0.204 617 D C 1.472 177.892 176.300 0.199 0.000 0.982 617 D CA 1.158 55.316 54.000 0.264 0.000 0.857 617 D CB -0.399 40.522 40.800 0.202 0.000 0.934 617 D HN 0.634 nan 8.370 nan 0.000 0.475 618 Y N -0.342 119.958 120.300 -0.000 0.000 2.165 618 Y HA -0.220 4.331 4.550 0.002 0.000 0.286 618 Y C 1.572 177.320 175.900 -0.253 0.000 1.155 618 Y CA 1.462 59.448 58.100 -0.190 0.000 1.164 618 Y CB -0.536 37.690 38.460 -0.391 0.000 0.978 618 Y HN 0.001 nan 8.280 nan 0.000 0.513 619 W N -1.364 119.903 121.300 -0.054 0.000 2.825 619 W HA -0.096 4.565 4.660 0.002 0.000 0.243 619 W C 1.418 177.812 176.519 -0.210 0.000 1.293 619 W CA 0.477 57.762 57.345 -0.100 0.000 1.403 619 W CB -0.603 28.838 29.460 -0.032 0.000 1.134 619 W HN 0.108 nan 8.180 nan 0.000 0.666 620 Y N 0.650 120.951 120.300 0.001 0.000 2.403 620 Y HA -0.223 4.328 4.550 0.002 0.000 0.291 620 Y C 2.394 178.201 175.900 -0.154 0.000 1.143 620 Y CA 1.450 59.526 58.100 -0.041 0.000 1.257 620 Y CB -0.697 37.724 38.460 -0.066 0.000 0.984 620 Y HN -0.026 nan 8.280 nan 0.000 0.550 621 K N -0.506 119.754 120.400 -0.232 0.000 2.152 621 K HA -0.220 4.101 4.320 0.002 0.000 0.206 621 K C 0.785 177.079 176.600 -0.511 0.000 1.048 621 K CA 1.839 57.840 56.287 -0.476 0.000 0.933 621 K CB -0.223 31.748 32.500 -0.882 0.000 0.721 621 K HN 0.357 nan 8.250 nan 0.000 0.447 622 Y N -1.326 118.983 120.300 0.015 0.000 2.444 622 Y HA 0.055 4.606 4.550 0.002 0.000 0.252 622 Y C 1.583 177.537 175.900 0.089 0.000 1.091 622 Y CA 0.049 58.208 58.100 0.097 0.000 1.276 622 Y CB 0.981 39.568 38.460 0.212 0.000 1.170 622 Y HN -0.001 nan 8.280 nan 0.000 0.517 623 V N -3.662 116.366 119.914 0.189 0.000 3.635 623 V HA 0.701 4.822 4.120 0.002 0.000 0.266 623 V C 1.070 177.220 176.094 0.092 0.000 1.316 623 V CA 0.372 62.737 62.300 0.109 0.000 1.060 623 V CB -0.176 31.677 31.823 0.049 0.000 0.820 623 V HN 0.352 nan 8.190 nan 0.000 0.447 624 G N 1.107 109.982 108.800 0.124 0.000 2.698 624 G HA2 -0.252 3.709 3.960 0.002 0.000 0.233 624 G HA3 -0.252 3.709 3.960 0.002 0.000 0.233 624 G C 0.084 175.107 174.900 0.205 0.000 1.352 624 G CA 0.086 45.263 45.100 0.128 0.000 0.879 624 G HN 0.543 nan 8.290 nan 0.000 0.567 625 L N 0.508 121.804 121.223 0.122 0.000 2.558 625 L HA 0.180 4.521 4.340 0.002 0.000 0.225 625 L C 1.805 178.731 176.870 0.093 0.000 1.128 625 L CA 0.519 55.429 54.840 0.117 0.000 0.868 625 L CB -0.185 41.891 42.059 0.028 0.000 1.006 625 L HN 0.470 nan 8.230 nan 0.000 0.454 626 N N 0.153 118.892 118.700 0.065 0.000 2.214 626 N HA 0.145 4.886 4.740 0.002 0.000 0.214 626 N C 0.648 176.172 175.510 0.024 0.000 1.132 626 N CA 0.182 53.254 53.050 0.036 0.000 0.856 626 N CB 1.194 39.691 38.487 0.017 0.000 1.020 626 N HN 0.225 nan 8.380 nan 0.000 0.509 627 G N -0.110 108.713 108.800 0.038 0.000 2.828 627 G HA2 0.765 4.726 3.960 0.002 0.000 0.244 627 G HA3 0.765 4.726 3.960 0.002 0.000 0.244 627 G C -1.081 173.812 174.900 -0.011 0.000 1.365 627 G CA -0.350 44.749 45.100 -0.002 0.000 1.041 627 G HN 0.172 nan 8.290 nan 0.000 0.560 628 A N -1.239 121.553 122.820 -0.046 0.000 2.498 628 A HA 0.774 5.095 4.320 0.002 0.000 0.298 628 A C -1.305 176.229 177.584 -0.084 0.000 1.075 628 A CA -0.548 51.459 52.037 -0.050 0.000 0.714 628 A CB 1.372 20.347 19.000 -0.043 0.000 1.299 628 A HN 0.580 nan 8.150 nan 0.000 0.407 629 I N 1.223 121.738 120.570 -0.092 0.000 2.478 629 I HA 0.335 4.506 4.170 0.002 0.000 0.287 629 I C -0.918 175.149 176.117 -0.083 0.000 1.042 629 I CA -0.793 60.442 61.300 -0.108 0.000 1.067 629 I CB 2.260 40.180 38.000 -0.133 0.000 1.233 629 I HN 0.278 nan 8.210 nan 0.000 0.431 630 V N 5.908 125.766 119.914 -0.094 0.000 2.284 630 V HA 0.665 4.787 4.120 0.002 0.000 0.260 630 V C 0.596 176.660 176.094 -0.050 0.000 1.084 630 V CA -0.038 62.180 62.300 -0.136 0.000 0.894 630 V CB 0.278 32.004 31.823 -0.161 0.000 1.119 630 V HN 0.955 nan 8.190 nan 0.000 0.484 631 G N 4.083 112.879 108.800 -0.006 0.000 2.975 631 G HA2 0.678 4.639 3.960 0.002 0.000 0.291 631 G HA3 0.678 4.639 3.960 0.002 0.000 0.291 631 G C -1.048 173.975 174.900 0.205 0.000 1.334 631 G CA -0.891 44.340 45.100 0.219 0.000 0.843 631 G HN 0.220 nan 8.290 nan 0.000 0.548 632 M N 1.241 120.966 119.600 0.209 0.000 2.367 632 M HA 0.360 4.841 4.480 0.002 0.000 0.339 632 M C 0.818 177.127 176.300 0.016 0.000 1.177 632 M CA -0.325 55.018 55.300 0.072 0.000 1.068 632 M CB 1.195 33.774 32.600 -0.036 0.000 1.602 632 M HN 0.709 nan 8.290 nan 0.000 0.457 633 T N -2.895 111.650 114.554 -0.015 0.000 3.058 633 T HA 0.223 4.574 4.350 0.002 0.000 0.278 633 T C 0.470 175.116 174.700 -0.089 0.000 0.974 633 T CA -0.026 62.060 62.100 -0.024 0.000 0.893 633 T CB -0.053 68.826 68.868 0.019 0.000 1.138 633 T HN 0.744 nan 8.240 nan 0.000 0.529 634 T N -0.897 113.579 114.554 -0.131 0.000 2.778 634 T HA 0.744 5.095 4.350 0.002 0.000 0.293 634 T C -0.792 173.760 174.700 -0.247 0.000 1.144 634 T CA -0.882 61.118 62.100 -0.166 0.000 1.010 634 T CB 0.894 69.789 68.868 0.045 0.000 1.325 634 T HN -0.032 nan 8.240 nan 0.000 0.515 635 F N 0.647 120.585 119.950 -0.019 0.000 2.435 635 F HA 0.586 5.114 4.527 0.002 0.000 0.316 635 F C 1.692 177.446 175.800 -0.077 0.000 1.220 635 F CA 0.559 58.533 58.000 -0.043 0.000 1.241 635 F CB 0.148 39.153 39.000 0.008 0.000 1.234 635 F HN 0.984 nan 8.300 nan 0.000 0.569 636 G N -0.414 108.465 108.800 0.132 0.000 2.504 636 G HA2 0.505 4.466 3.960 0.002 0.000 0.257 636 G HA3 0.505 4.466 3.960 0.002 0.000 0.257 636 G C -0.925 174.109 174.900 0.225 0.000 1.451 636 G CA -0.358 44.777 45.100 0.058 0.000 1.059 636 G HN 0.441 nan 8.290 nan 0.000 0.550 637 E N -1.348 118.985 120.200 0.222 0.000 2.392 637 E HA 0.320 4.671 4.350 0.002 0.000 0.279 637 E C -1.232 175.421 176.600 0.088 0.000 0.964 637 E CA -0.680 55.821 56.400 0.169 0.000 0.777 637 E CB 1.856 31.666 29.700 0.182 0.000 1.249 637 E HN 0.311 nan 8.360 nan 0.000 0.449 638 S N 0.626 116.355 115.700 0.048 0.000 2.422 638 S HA 0.669 5.140 4.470 0.002 0.000 0.283 638 S C -0.667 173.938 174.600 0.009 0.000 1.163 638 S CA 0.211 58.420 58.200 0.015 0.000 1.054 638 S CB -0.280 62.923 63.200 0.004 0.000 0.967 638 S HN 0.579 nan 8.310 nan 0.000 0.499 639 A N 5.997 128.816 122.820 -0.002 0.000 2.544 639 A HA 0.702 5.023 4.320 0.002 0.000 0.291 639 A C -3.282 174.292 177.584 -0.017 0.000 1.055 639 A CA -1.287 50.745 52.037 -0.008 0.000 0.651 639 A CB 0.372 19.367 19.000 -0.007 0.000 1.296 639 A HN 0.549 nan 8.150 nan 0.000 0.431 640 P HA 0.326 nan 4.420 nan 0.000 0.268 640 P C 0.969 178.257 177.300 -0.021 0.000 1.205 640 P CA 0.816 63.910 63.100 -0.010 0.000 0.771 640 P CB 0.901 32.604 31.700 0.004 0.000 0.858 641 A N 4.027 126.830 122.820 -0.028 0.000 1.908 641 A HA -0.263 4.058 4.320 0.002 0.000 0.218 641 A C 1.860 179.447 177.584 0.006 0.000 1.181 641 A CA 2.116 54.105 52.037 -0.080 0.000 0.627 641 A CB -1.219 17.773 19.000 -0.015 0.000 0.818 641 A HN 0.714 nan 8.150 nan 0.000 0.445 642 E N 0.325 120.591 120.200 0.110 0.000 2.118 642 E HA -0.170 4.181 4.350 0.002 0.000 0.195 642 E C 1.809 178.491 176.600 0.137 0.000 0.992 642 E CA 1.365 57.875 56.400 0.184 0.000 0.804 642 E CB -0.587 29.184 29.700 0.118 0.000 0.741 642 E HN 0.608 nan 8.360 nan 0.000 0.458 643 L N 0.598 121.857 121.223 0.060 0.000 2.141 643 L HA -0.109 4.232 4.340 0.002 0.000 0.209 643 L C 2.561 179.441 176.870 0.017 0.000 1.094 643 L CA 0.801 55.660 54.840 0.032 0.000 0.763 643 L CB -0.476 41.584 42.059 0.001 0.000 0.908 643 L HN 0.184 nan 8.230 nan 0.000 0.437 644 L N -1.365 119.853 121.223 -0.008 0.000 2.056 644 L HA -0.168 4.174 4.340 0.002 0.000 0.207 644 L C 2.552 179.498 176.870 0.128 0.000 1.078 644 L CA 1.097 55.945 54.840 0.014 0.000 0.749 644 L CB -0.493 41.539 42.059 -0.045 0.000 0.901 644 L HN 0.094 nan 8.230 nan 0.000 0.433 645 F N 0.715 120.781 119.950 0.194 0.000 2.171 645 F HA -0.193 4.335 4.527 0.002 0.000 0.300 645 F C 2.512 178.461 175.800 0.248 0.000 1.090 645 F CA 1.267 59.429 58.000 0.269 0.000 1.293 645 F CB -0.518 38.572 39.000 0.150 0.000 1.013 645 F HN 0.116 nan 8.300 nan 0.000 0.486 646 E N -0.227 120.140 120.200 0.278 0.000 2.047 646 E HA -0.250 4.101 4.350 0.002 0.000 0.191 646 E C 2.025 178.661 176.600 0.060 0.000 0.987 646 E CA 1.342 57.829 56.400 0.145 0.000 0.799 646 E CB -0.292 29.453 29.700 0.075 0.000 0.752 646 E HN 0.341 nan 8.360 nan 0.000 0.449 647 E N 0.391 120.569 120.200 -0.037 0.000 2.118 647 E HA -0.175 4.177 4.350 0.002 0.000 0.195 647 E C 1.022 177.445 176.600 -0.296 0.000 0.992 647 E CA 1.075 57.328 56.400 -0.245 0.000 0.804 647 E CB -0.066 29.347 29.700 -0.479 0.000 0.741 647 E HN 0.161 nan 8.360 nan 0.000 0.458 648 F N -0.851 119.169 119.950 0.117 0.000 2.660 648 F HA 0.353 4.880 4.527 0.002 0.000 0.302 648 F C 1.467 177.220 175.800 -0.079 0.000 1.103 648 F CA 0.497 58.560 58.000 0.106 0.000 1.340 648 F CB 0.829 39.994 39.000 0.276 0.000 1.048 648 F HN 0.180 nan 8.300 nan 0.000 0.551 649 G N -0.267 108.557 108.800 0.040 0.000 2.132 649 G HA2 -0.306 3.655 3.960 0.002 0.000 0.234 649 G HA3 -0.306 3.655 3.960 0.002 0.000 0.234 649 G C 0.106 174.824 174.900 -0.302 0.000 0.989 649 G CA -0.523 44.485 45.100 -0.153 0.000 0.676 649 G HN 0.228 nan 8.290 nan 0.000 0.522 650 F N 2.740 122.788 119.950 0.164 0.000 2.606 650 F HA 0.495 5.023 4.527 0.002 0.000 0.347 650 F C 1.191 177.017 175.800 0.043 0.000 1.207 650 F CA 0.462 58.531 58.000 0.115 0.000 1.306 650 F CB 0.449 39.586 39.000 0.228 0.000 1.657 650 F HN 0.255 nan 8.300 nan 0.000 0.606 651 T N -3.729 110.867 114.554 0.070 0.000 2.906 651 T HA 0.408 4.759 4.350 0.002 0.000 0.295 651 T C 0.829 175.519 174.700 -0.016 0.000 1.075 651 T CA -0.774 61.346 62.100 0.033 0.000 1.005 651 T CB 1.692 70.575 68.868 0.025 0.000 1.136 651 T HN -0.096 nan 8.240 nan 0.000 0.498 652 V N 1.082 120.977 119.914 -0.031 0.000 2.407 652 V HA -0.140 3.981 4.120 0.002 0.000 0.248 652 V C 2.295 178.366 176.094 -0.038 0.000 1.055 652 V CA 1.992 64.260 62.300 -0.053 0.000 1.049 652 V CB -0.766 31.024 31.823 -0.055 0.000 0.662 652 V HN 0.870 nan 8.190 nan 0.000 0.455 653 D N 0.176 120.561 120.400 -0.024 0.000 2.117 653 D HA -0.158 4.483 4.640 0.002 0.000 0.197 653 D C 2.085 178.375 176.300 -0.018 0.000 0.987 653 D CA 1.589 55.578 54.000 -0.018 0.000 0.829 653 D CB -0.404 40.387 40.800 -0.014 0.000 0.961 653 D HN 0.483 nan 8.370 nan 0.000 0.460 654 N N 0.247 118.932 118.700 -0.027 0.000 2.216 654 N HA -0.111 4.630 4.740 0.002 0.000 0.183 654 N C 1.681 177.174 175.510 -0.028 0.000 1.017 654 N CA 0.600 53.628 53.050 -0.036 0.000 0.861 654 N CB 0.002 38.450 38.487 -0.064 0.000 0.986 654 N HN -0.083 nan 8.380 nan 0.000 0.428 655 V N -0.226 119.670 119.914 -0.029 0.000 2.295 655 V HA -0.172 3.949 4.120 0.002 0.000 0.246 655 V C 2.285 178.430 176.094 0.083 0.000 1.049 655 V CA 1.320 63.624 62.300 0.007 0.000 1.024 655 V CB -0.510 31.280 31.823 -0.055 0.000 0.648 655 V HN 0.171 nan 8.190 nan 0.000 0.447 656 V N 0.303 120.246 119.914 0.049 0.000 2.295 656 V HA -0.280 3.841 4.120 0.002 0.000 0.246 656 V C 2.714 178.845 176.094 0.062 0.000 1.049 656 V CA 2.100 64.451 62.300 0.084 0.000 1.024 656 V CB -1.129 30.713 31.823 0.032 0.000 0.648 656 V HN 0.566 nan 8.190 nan 0.000 0.447 657 A N -0.532 122.304 122.820 0.026 0.000 1.883 657 A HA -0.226 4.095 4.320 0.002 0.000 0.217 657 A C 2.248 179.838 177.584 0.010 0.000 1.186 657 A CA 1.870 53.914 52.037 0.011 0.000 0.624 657 A CB -0.492 18.506 19.000 -0.003 0.000 0.822 657 A HN 0.384 nan 8.150 nan 0.000 0.444 658 K N 0.071 120.479 120.400 0.013 0.000 2.057 658 K HA -0.013 4.309 4.320 0.002 0.000 0.207 658 K C 2.201 178.803 176.600 0.003 0.000 1.049 658 K CA 1.449 57.739 56.287 0.004 0.000 0.931 658 K CB -1.030 31.472 32.500 0.003 0.000 0.714 658 K HN 0.451 nan 8.250 nan 0.000 0.440 659 A N 1.152 123.993 122.820 0.036 0.000 1.902 659 A HA -0.186 4.135 4.320 0.002 0.000 0.217 659 A C 2.053 179.617 177.584 -0.033 0.000 1.181 659 A CA 1.776 53.801 52.037 -0.020 0.000 0.623 659 A CB -0.377 18.653 19.000 0.051 0.000 0.818 659 A HN 0.295 nan 8.150 nan 0.000 0.443 660 K N -0.303 120.097 120.400 -0.000 0.000 2.211 660 K HA -0.160 4.161 4.320 0.002 0.000 0.204 660 K C 1.751 178.341 176.600 -0.017 0.000 1.047 660 K CA 1.521 57.802 56.287 -0.009 0.000 0.935 660 K CB -0.154 32.346 32.500 0.000 0.000 0.728 660 K HN 0.627 nan 8.250 nan 0.000 0.452 661 E N 0.471 120.661 120.200 -0.016 0.000 2.338 661 E HA -0.126 4.225 4.350 0.002 0.000 0.197 661 E C 1.464 178.050 176.600 -0.023 0.000 1.007 661 E CA 0.638 57.028 56.400 -0.016 0.000 0.849 661 E CB 0.072 29.765 29.700 -0.012 0.000 0.774 661 E HN 0.287 nan 8.360 nan 0.000 0.506 662 L N 0.393 121.595 121.223 -0.035 0.000 2.529 662 L HA 0.131 4.473 4.340 0.002 0.000 0.223 662 L C 0.943 177.789 176.870 -0.041 0.000 1.113 662 L CA -0.055 54.760 54.840 -0.041 0.000 0.861 662 L CB 0.020 42.040 42.059 -0.065 0.000 1.012 662 L HN 0.046 nan 8.230 nan 0.000 0.461 663 L N 0.000 121.200 121.223 -0.038 0.000 2.949 663 L HA 0.000 4.341 4.340 0.002 0.000 0.249 663 L CA 0.000 54.819 54.840 -0.035 0.000 0.813 663 L CB 0.000 42.038 42.059 -0.036 0.000 0.961 663 L HN 0.000 nan 8.230 nan 0.000 0.502