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 2j7k_1_A DATA FIRST_RESID 5 DATA SEQUENCE VEYDLKRLRN IGIAAHIDAG KTTTTERILY YTGRIHXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX ITAAVTTCFW KDHRINIIDA PGHVDFTIEV ERSMRVLDGA DATA SEQUENCE IVVFDSSQGV EPQSETVWRQ AEKYKVPRIA FANKMDKTGA DLWLVIRTMQ DATA SEQUENCE ERLGARPVVM QLPIGREDTF SGIIDVLRMK AYTYGNDLGT DIREIPIPEE DATA SEQUENCE YLDQAREYHE KLVEVAADFD ENIMLKYLEG EEPTEEELVA AIRKGTIDLK DATA SEQUENCE ITPVFLGSAL KNKGVQLLLD AVVDYLPSPL DIPPIKGTTP EGEVVEIHPD DATA SEQUENCE PNGPLAALAF KIMADPYVGR LTFIRVYSGT LTSGSYVYNT TKGRKERVAR DATA SEQUENCE LLRMHANHRE EVEELKAGDL GAVVGLKETI TGDTLVGEDA PRVILESIEV DATA SEQUENCE PEPVIDVAIE PKTKADQEKL SQALARLAEE DPTFRVSTHP ETGQTIISGM DATA SEQUENCE GELHLEIIVD RLKREFKVDA NVGKPQVAYR ETITKPVDVE GKFIRQTGGR DATA SEQUENCE GQYGHVKIKV EPLPRGSGFE FVNAIVGGVI PKEYIPAVQK GIEEAMQSGP DATA SEQUENCE LIGFPVVDIK VTLYDGSYHE VDSSEMAFKI AGSMAIKEAV QKGDPVILEP DATA SEQUENCE IMRVEVTTPE EYMGDVIGDL NARRGQILGM EPRGNAQVIR AFVPLAEMFG DATA SEQUENCE YATDLRSKTQ GRGSFVMFFD HYQEVPKQVQ EKLI 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.165 176.094 0.118 0.000 1.182 5 V CA 0.000 62.352 62.300 0.086 0.000 1.235 5 V CB 0.000 31.862 31.823 0.065 0.000 1.184 6 E N 2.970 123.249 120.200 0.132 0.000 2.320 6 E HA 0.155 4.510 4.350 0.008 0.000 0.234 6 E C -0.312 176.383 176.600 0.159 0.000 1.290 6 E CA -0.322 56.148 56.400 0.116 0.000 1.545 6 E CB 0.365 30.115 29.700 0.083 0.000 1.379 6 E HN 0.726 nan 8.360 nan 0.000 0.437 7 Y N 1.742 122.068 120.300 0.043 0.000 2.365 7 Y HA 0.232 4.787 4.550 0.008 0.000 0.340 7 Y C -0.593 175.318 175.900 0.018 0.000 1.016 7 Y CA -0.868 57.254 58.100 0.037 0.000 1.196 7 Y CB 0.628 39.106 38.460 0.031 0.000 1.167 7 Y HN -0.109 nan 8.280 nan 0.000 0.509 8 D N 5.828 125.970 120.400 -0.431 0.000 2.391 8 D HA 0.123 4.768 4.640 0.008 0.000 0.245 8 D C 0.290 176.199 176.300 -0.651 0.000 1.069 8 D CA -0.442 53.245 54.000 -0.521 0.000 0.831 8 D CB 1.832 42.477 40.800 -0.258 0.000 1.204 8 D HN 0.858 nan 8.370 nan 0.000 0.503 9 L N 3.855 124.664 121.223 -0.689 0.000 2.056 9 L HA -0.083 4.262 4.340 0.008 0.000 0.207 9 L C 2.101 178.855 176.870 -0.194 0.000 1.078 9 L CA 1.050 55.649 54.840 -0.401 0.000 0.749 9 L CB 0.040 41.975 42.059 -0.208 0.000 0.901 9 L HN 0.378 nan 8.230 nan 0.000 0.433 10 K N -0.127 120.171 120.400 -0.170 0.000 2.097 10 K HA -0.105 4.219 4.320 0.008 0.000 0.206 10 K C 1.002 177.534 176.600 -0.113 0.000 1.049 10 K CA 0.930 57.156 56.287 -0.102 0.000 0.933 10 K CB -0.056 32.393 32.500 -0.084 0.000 0.717 10 K HN 0.362 nan 8.250 nan 0.000 0.442 11 R N 1.196 121.568 120.500 -0.212 0.000 3.351 11 R HA 0.167 4.511 4.340 0.008 0.000 0.296 11 R C -0.441 175.744 176.300 -0.191 0.000 1.427 11 R CA -0.163 55.710 56.100 -0.378 0.000 1.257 11 R CB -0.180 29.739 30.300 -0.635 0.000 1.378 11 R HN -0.028 nan 8.270 nan 0.000 0.610 12 L N 0.278 121.463 121.223 -0.063 0.000 2.365 12 L HA 0.484 4.829 4.340 0.008 0.000 0.273 12 L C -0.984 175.902 176.870 0.027 0.000 1.000 12 L CA -0.899 53.934 54.840 -0.011 0.000 0.819 12 L CB 1.870 43.917 42.059 -0.020 0.000 1.284 12 L HN -0.010 nan 8.230 nan 0.000 0.418 13 R N 3.050 123.564 120.500 0.024 0.000 2.575 13 R HA 0.475 4.819 4.340 0.008 0.000 0.292 13 R C -1.373 174.914 176.300 -0.021 0.000 1.246 13 R CA -0.331 55.779 56.100 0.017 0.000 0.973 13 R CB 0.558 30.882 30.300 0.040 0.000 1.187 13 R HN 0.584 nan 8.270 nan 0.000 0.478 14 N N 5.136 123.818 118.700 -0.029 0.000 2.469 14 N HA 0.250 4.994 4.740 0.008 0.000 0.239 14 N C -0.298 175.179 175.510 -0.054 0.000 1.053 14 N CA -0.194 52.826 53.050 -0.051 0.000 0.937 14 N CB 0.832 39.281 38.487 -0.063 0.000 1.163 14 N HN 0.557 nan 8.380 nan 0.000 0.509 15 I N -1.823 118.710 120.570 -0.061 0.000 2.750 15 I HA 0.891 5.066 4.170 0.008 0.000 0.308 15 I C 0.275 176.352 176.117 -0.066 0.000 1.016 15 I CA -1.078 60.186 61.300 -0.061 0.000 1.098 15 I CB 2.208 40.167 38.000 -0.068 0.000 1.279 15 I HN 0.235 nan 8.210 nan 0.000 0.454 16 G N 4.766 113.532 108.800 -0.058 0.000 2.687 16 G HA2 0.658 4.623 3.960 0.008 0.000 0.301 16 G HA3 0.658 4.623 3.960 0.008 0.000 0.301 16 G C -1.394 173.480 174.900 -0.044 0.000 1.416 16 G CA -0.574 44.493 45.100 -0.056 0.000 1.005 16 G HN 0.515 nan 8.290 nan 0.000 0.509 17 I N 2.246 122.789 120.570 -0.046 0.000 2.301 17 I HA 0.508 4.683 4.170 0.008 0.000 0.292 17 I C 0.720 176.820 176.117 -0.028 0.000 1.046 17 I CA 0.025 61.303 61.300 -0.036 0.000 1.282 17 I CB 1.545 39.517 38.000 -0.046 0.000 1.409 17 I HN 0.564 nan 8.210 nan 0.000 0.484 18 A N 5.482 128.290 122.820 -0.020 0.000 2.337 18 A HA 0.991 5.315 4.320 0.008 0.000 0.329 18 A C -0.508 177.044 177.584 -0.053 0.000 1.146 18 A CA -0.313 51.709 52.037 -0.025 0.000 0.800 18 A CB 1.237 20.231 19.000 -0.009 0.000 1.220 18 A HN 0.833 nan 8.150 nan 0.000 0.472 19 A N 1.123 123.907 122.820 -0.060 0.000 2.605 19 A HA 0.592 4.917 4.320 0.008 0.000 0.294 19 A C -0.789 176.770 177.584 -0.042 0.000 1.062 19 A CA -0.588 51.396 52.037 -0.087 0.000 0.682 19 A CB 0.453 19.417 19.000 -0.059 0.000 1.278 19 A HN 1.068 nan 8.150 nan 0.000 0.410 20 H N 1.258 120.252 119.070 -0.127 0.000 2.679 20 H HA 0.329 4.890 4.556 0.008 0.000 0.369 20 H C 0.322 175.614 175.328 -0.060 0.000 1.178 20 H CA 0.468 56.468 56.048 -0.079 0.000 1.419 20 H CB 0.705 30.430 29.762 -0.062 0.000 1.458 20 H HN 0.759 nan 8.280 nan 0.000 0.605 21 I N 2.930 123.125 120.570 -0.625 0.000 2.906 21 I HA -0.287 3.887 4.170 0.008 0.000 0.302 21 I C 0.135 176.180 176.117 -0.121 0.000 1.220 21 I CA 1.041 62.133 61.300 -0.346 0.000 1.441 21 I CB 0.074 37.845 38.000 -0.382 0.000 1.336 21 I HN 0.905 nan 8.210 nan 0.000 0.565 22 D N 3.360 123.724 120.400 -0.059 0.000 3.006 22 D HA -0.218 4.427 4.640 0.008 0.000 0.205 22 D C 1.020 177.328 176.300 0.013 0.000 1.075 22 D CA 1.149 55.144 54.000 -0.009 0.000 1.000 22 D CB -0.896 39.909 40.800 0.008 0.000 1.097 22 D HN 0.712 nan 8.370 nan 0.000 0.426 23 A N -0.013 122.816 122.820 0.015 0.000 1.898 23 A HA 0.421 4.745 4.320 0.008 0.000 0.216 23 A C 2.033 179.633 177.584 0.026 0.000 1.181 23 A CA 2.255 54.306 52.037 0.023 0.000 0.620 23 A CB -0.063 18.943 19.000 0.009 0.000 0.819 23 A HN 1.163 nan 8.150 nan 0.000 0.442 24 G N -1.269 107.546 108.800 0.026 0.000 2.240 24 G HA2 -0.126 3.839 3.960 0.008 0.000 0.181 24 G HA3 -0.126 3.839 3.960 0.008 0.000 0.181 24 G C 0.728 175.655 174.900 0.045 0.000 1.028 24 G CA 0.806 45.933 45.100 0.045 0.000 0.760 24 G HN 0.531 nan 8.290 nan 0.000 0.508 25 K N 0.300 120.711 120.400 0.019 0.000 2.020 25 K HA -0.148 4.177 4.320 0.008 0.000 0.212 25 K C 2.323 178.919 176.600 -0.008 0.000 1.050 25 K CA 2.494 58.782 56.287 0.002 0.000 0.929 25 K CB -0.326 32.164 32.500 -0.018 0.000 0.714 25 K HN 0.266 nan 8.250 nan 0.000 0.443 26 T N 0.091 114.639 114.554 -0.010 0.000 2.770 26 T HA -0.084 4.271 4.350 0.008 0.000 0.263 26 T C 1.892 176.589 174.700 -0.005 0.000 1.039 26 T CA 1.667 63.758 62.100 -0.014 0.000 1.142 26 T CB -0.476 68.382 68.868 -0.018 0.000 0.868 26 T HN 0.340 nan 8.240 nan 0.000 0.435 27 T N 2.191 116.748 114.554 0.006 0.000 2.652 27 T HA -0.147 4.207 4.350 0.008 0.000 0.267 27 T C 2.293 177.006 174.700 0.022 0.000 1.039 27 T CA 1.905 64.014 62.100 0.015 0.000 1.153 27 T CB -0.803 68.080 68.868 0.025 0.000 0.863 27 T HN 0.433 nan 8.240 nan 0.000 0.428 28 T N 1.761 116.332 114.554 0.028 0.000 2.684 28 T HA -0.139 4.216 4.350 0.008 0.000 0.267 28 T C 2.249 176.926 174.700 -0.038 0.000 1.036 28 T CA 1.782 63.880 62.100 -0.002 0.000 1.148 28 T CB -0.864 67.995 68.868 -0.015 0.000 0.863 28 T HN 0.427 nan 8.240 nan 0.000 0.436 29 T N 1.941 116.473 114.554 -0.035 0.000 2.635 29 T HA -0.162 4.193 4.350 0.008 0.000 0.267 29 T C 1.902 176.594 174.700 -0.012 0.000 1.040 29 T CA 1.309 63.385 62.100 -0.040 0.000 1.156 29 T CB -0.352 68.493 68.868 -0.039 0.000 0.863 29 T HN 0.374 nan 8.240 nan 0.000 0.430 30 E N 1.126 121.328 120.200 0.003 0.000 2.070 30 E HA -0.218 4.136 4.350 0.008 0.000 0.197 30 E C 2.434 179.073 176.600 0.064 0.000 1.004 30 E CA 1.212 57.625 56.400 0.022 0.000 0.805 30 E CB -0.033 29.671 29.700 0.007 0.000 0.744 30 E HN 0.313 nan 8.360 nan 0.000 0.451 31 R N 0.129 120.675 120.500 0.076 0.000 2.075 31 R HA -0.040 4.304 4.340 0.008 0.000 0.232 31 R C 2.644 179.099 176.300 0.259 0.000 1.126 31 R CA 0.695 56.905 56.100 0.184 0.000 0.963 31 R CB -0.869 29.552 30.300 0.202 0.000 0.858 31 R HN 0.334 nan 8.270 nan 0.000 0.435 32 I N 0.979 121.597 120.570 0.080 0.000 2.151 32 I HA -0.302 3.873 4.170 0.008 0.000 0.243 32 I C 2.030 178.163 176.117 0.027 0.000 1.080 32 I CA 1.137 62.423 61.300 -0.024 0.000 1.339 32 I CB -0.276 37.643 38.000 -0.136 0.000 1.039 32 I HN 0.036 nan 8.210 nan 0.000 0.409 33 L N -0.293 120.958 121.223 0.046 0.000 2.083 33 L HA -0.249 4.095 4.340 0.008 0.000 0.209 33 L C 2.457 179.387 176.870 0.100 0.000 1.083 33 L CA 1.887 56.764 54.840 0.061 0.000 0.752 33 L CB -1.779 40.312 42.059 0.053 0.000 0.899 33 L HN 0.325 nan 8.230 nan 0.000 0.433 34 Y N -0.383 119.923 120.300 0.010 0.000 2.145 34 Y HA -0.299 4.255 4.550 0.008 0.000 0.286 34 Y C 2.614 178.489 175.900 -0.041 0.000 1.145 34 Y CA 1.622 59.691 58.100 -0.052 0.000 1.148 34 Y CB -0.695 37.672 38.460 -0.156 0.000 0.981 34 Y HN 0.135 nan 8.280 nan 0.000 0.507 35 Y N 0.302 120.481 120.300 -0.202 0.000 2.352 35 Y HA -0.174 4.381 4.550 0.008 0.000 0.292 35 Y C 2.752 178.663 175.900 0.018 0.000 1.136 35 Y CA 1.842 59.815 58.100 -0.212 0.000 1.227 35 Y CB -0.537 37.851 38.460 -0.120 0.000 0.991 35 Y HN 0.326 nan 8.280 nan 0.000 0.545 36 T N -4.178 110.485 114.554 0.181 0.000 3.014 36 T HA 0.027 4.382 4.350 0.008 0.000 0.263 36 T C 1.896 176.706 174.700 0.183 0.000 1.078 36 T CA 0.816 63.096 62.100 0.301 0.000 1.135 36 T CB -0.522 68.480 68.868 0.224 0.000 0.895 36 T HN 0.298 nan 8.240 nan 0.000 0.480 37 G N 1.074 109.908 108.800 0.057 0.000 3.379 37 G HA2 0.209 4.173 3.960 0.008 0.000 0.253 37 G HA3 0.209 4.173 3.960 0.008 0.000 0.253 37 G C 0.681 175.541 174.900 -0.066 0.000 1.262 37 G CA -0.718 44.400 45.100 0.032 0.000 0.959 37 G HN 0.428 nan 8.290 nan 0.000 0.524 38 R N 0.671 121.120 120.500 -0.086 0.000 3.335 38 R HA 0.324 4.668 4.340 0.008 0.000 0.337 38 R C -0.728 175.521 176.300 -0.084 0.000 1.283 38 R CA -0.230 55.795 56.100 -0.125 0.000 1.246 38 R CB 0.455 30.646 30.300 -0.183 0.000 1.464 38 R HN 0.132 nan 8.270 nan 0.000 0.607 39 I N 2.105 122.591 120.570 -0.140 0.000 2.499 39 I HA 0.190 4.364 4.170 0.008 0.000 0.288 39 I C 0.558 176.414 176.117 -0.434 0.000 1.048 39 I CA -0.727 60.476 61.300 -0.161 0.000 1.062 39 I CB 1.000 38.956 38.000 -0.074 0.000 1.238 39 I HN 0.524 nan 8.210 nan 0.000 0.426 66 T N 2.163 116.692 114.554 -0.043 0.000 13.579 66 T HA -0.382 3.973 4.350 0.008 0.000 0.417 66 T C 0.532 175.185 174.700 -0.078 0.000 1.443 66 T CA 2.965 65.026 62.100 -0.065 0.000 2.337 66 T CB -1.441 67.379 68.868 -0.080 0.000 2.774 66 T HN 2.398 nan 8.240 nan 0.000 0.496 67 A N -0.468 122.285 122.820 -0.111 0.000 2.434 67 A HA 0.392 4.717 4.320 0.008 0.000 0.686 67 A C 1.607 178.995 177.584 -0.326 0.000 0.139 67 A CA 0.992 52.932 52.037 -0.161 0.000 0.029 67 A CB -1.807 17.191 19.000 -0.003 0.000 3.971 67 A HN 2.339 nan 8.150 nan 0.000 0.548 68 A N 2.155 124.523 122.820 -0.753 0.000 1.884 68 A HA 0.195 4.519 4.320 0.008 0.000 0.219 68 A C 1.246 178.616 177.584 -0.356 0.000 1.197 68 A CA 2.486 54.077 52.037 -0.744 0.000 0.637 68 A CB -0.579 17.579 19.000 -1.404 0.000 0.827 68 A HN 2.164 nan 8.150 nan 0.000 0.450 69 V N -0.692 119.053 119.914 -0.282 0.000 2.604 69 V HA 0.570 4.694 4.120 0.008 0.000 0.305 69 V C -0.524 175.582 176.094 0.021 0.000 1.043 69 V CA -0.518 61.790 62.300 0.014 0.000 0.888 69 V CB 1.713 33.658 31.823 0.203 0.000 0.995 69 V HN 0.292 nan 8.190 nan 0.000 0.429 70 T N 1.788 116.320 114.554 -0.037 0.000 2.876 70 T HA 0.571 4.925 4.350 0.008 0.000 0.289 70 T C -0.369 174.245 174.700 -0.144 0.000 1.014 70 T CA -0.506 61.546 62.100 -0.080 0.000 0.986 70 T CB 1.926 70.750 68.868 -0.072 0.000 1.021 70 T HN 0.728 nan 8.240 nan 0.000 0.458 71 T N 1.234 115.630 114.554 -0.262 0.000 2.885 71 T HA 0.748 5.102 4.350 0.008 0.000 0.285 71 T C -0.501 173.957 174.700 -0.403 0.000 1.019 71 T CA -0.426 61.456 62.100 -0.362 0.000 1.010 71 T CB 0.152 68.761 68.868 -0.431 0.000 1.022 71 T HN 1.069 nan 8.240 nan 0.000 0.466 72 C N 2.044 121.124 119.300 -0.367 0.000 3.284 72 C HA 0.846 5.311 4.460 0.008 0.000 0.348 72 C C -1.801 172.986 174.990 -0.340 0.000 1.448 72 C CA -1.352 57.540 59.018 -0.209 0.000 1.223 72 C CB 0.113 27.840 27.740 -0.021 0.000 1.588 72 C HN 0.754 nan 8.230 nan 0.000 0.451 73 F N 0.652 120.692 119.950 0.149 0.000 2.532 73 F HA 0.791 5.322 4.527 0.008 0.000 0.321 73 F C -0.340 175.643 175.800 0.305 0.000 1.089 73 F CA -0.316 57.795 58.000 0.185 0.000 0.926 73 F CB 1.749 40.837 39.000 0.146 0.000 1.168 73 F HN 0.858 nan 8.300 nan 0.000 0.459 74 W N 4.675 126.108 121.300 0.221 0.000 3.326 74 W HA 0.217 4.881 4.660 0.008 0.000 0.333 74 W C -0.949 175.639 176.519 0.115 0.000 1.108 74 W CA -1.109 56.301 57.345 0.110 0.000 1.245 74 W CB 1.521 30.988 29.460 0.012 0.000 1.331 74 W HN 0.512 nan 8.180 nan 0.000 0.464 75 K N 5.269 125.484 120.400 -0.308 0.000 3.278 75 K HA -0.252 4.072 4.320 0.008 0.000 0.270 75 K C -0.082 176.616 176.600 0.164 0.000 0.955 75 K CA 1.821 57.996 56.287 -0.186 0.000 0.723 75 K CB -1.688 30.653 32.500 -0.265 0.000 1.382 75 K HN 0.716 nan 8.250 nan 0.000 0.461 76 D N -2.103 118.394 120.400 0.162 0.000 3.059 76 D HA -0.174 4.471 4.640 0.008 0.000 0.220 76 D C -0.224 176.220 176.300 0.240 0.000 1.169 76 D CA 1.462 55.571 54.000 0.180 0.000 0.902 76 D CB -1.236 39.609 40.800 0.075 0.000 1.116 76 D HN 0.648 nan 8.370 nan 0.000 0.417 77 H N -0.276 118.901 119.070 0.178 0.000 2.492 77 H HA 0.487 5.048 4.556 0.008 0.000 0.345 77 H C 0.469 175.890 175.328 0.155 0.000 1.136 77 H CA -0.626 55.509 56.048 0.146 0.000 1.202 77 H CB 1.199 31.018 29.762 0.095 0.000 1.524 77 H HN -0.050 nan 8.280 nan 0.000 0.506 78 R N 3.293 123.866 120.500 0.122 0.000 2.234 78 R HA 0.356 4.701 4.340 0.008 0.000 0.324 78 R C -0.949 175.300 176.300 -0.085 0.000 1.054 78 R CA -0.371 55.651 56.100 -0.130 0.000 0.912 78 R CB 0.118 30.322 30.300 -0.159 0.000 1.030 78 R HN 0.613 nan 8.270 nan 0.000 0.455 79 I N 4.625 125.108 120.570 -0.145 0.000 2.355 79 I HA 0.218 4.392 4.170 0.008 0.000 0.288 79 I C -0.358 175.674 176.117 -0.142 0.000 0.999 79 I CA -0.704 60.537 61.300 -0.098 0.000 1.163 79 I CB 1.595 39.555 38.000 -0.067 0.000 1.316 79 I HN 0.496 nan 8.210 nan 0.000 0.454 80 N N 8.096 126.732 118.700 -0.107 0.000 2.485 80 N HA 0.407 5.151 4.740 0.008 0.000 0.243 80 N C -0.486 174.976 175.510 -0.080 0.000 0.987 80 N CA -0.342 52.649 53.050 -0.099 0.000 0.940 80 N CB 2.008 40.453 38.487 -0.071 0.000 1.122 80 N HN 0.494 nan 8.380 nan 0.000 0.509 81 I N 3.715 124.235 120.570 -0.084 0.000 2.278 81 I HA 0.170 4.345 4.170 0.008 0.000 0.296 81 I C 0.267 176.348 176.117 -0.060 0.000 1.121 81 I CA -0.530 60.724 61.300 -0.076 0.000 1.267 81 I CB 0.031 37.982 38.000 -0.082 0.000 1.447 81 I HN 0.231 nan 8.210 nan 0.000 0.509 82 I N 5.519 126.055 120.570 -0.057 0.000 2.494 82 I HA -0.038 4.137 4.170 0.008 0.000 0.289 82 I C 0.599 176.687 176.117 -0.048 0.000 1.106 82 I CA 0.294 61.567 61.300 -0.044 0.000 1.369 82 I CB -0.047 37.899 38.000 -0.091 0.000 1.410 82 I HN 0.436 nan 8.210 nan 0.000 0.523 83 D N 6.381 126.753 120.400 -0.046 0.000 2.363 83 D HA 0.293 4.937 4.640 0.008 0.000 0.263 83 D C 0.151 176.424 176.300 -0.045 0.000 1.258 83 D CA 0.067 54.031 54.000 -0.061 0.000 0.907 83 D CB 0.647 41.390 40.800 -0.096 0.000 1.107 83 D HN 0.643 nan 8.370 nan 0.000 0.495 84 A N 5.586 128.380 122.820 -0.043 0.000 2.565 84 A HA 0.144 4.468 4.320 0.008 0.000 0.237 84 A C -0.920 176.647 177.584 -0.028 0.000 1.053 84 A CA -0.895 51.123 52.037 -0.031 0.000 0.755 84 A CB 0.015 18.997 19.000 -0.029 0.000 0.980 84 A HN 0.579 nan 8.150 nan 0.000 0.506 85 P HA -0.231 nan 4.420 nan 0.000 0.219 85 P C 1.164 178.440 177.300 -0.040 0.000 1.159 85 P CA 2.273 65.361 63.100 -0.019 0.000 0.944 85 P CB -0.124 31.589 31.700 0.021 0.000 0.792 86 G N -3.296 105.495 108.800 -0.016 0.000 2.945 86 G HA2 0.337 4.302 3.960 0.008 0.000 0.156 86 G HA3 0.337 4.302 3.960 0.008 0.000 0.156 86 G C -0.642 174.320 174.900 0.103 0.000 1.375 86 G CA 0.036 45.149 45.100 0.022 0.000 1.039 86 G HN 0.536 nan 8.290 nan 0.000 0.586 87 H N -0.787 118.261 119.070 -0.037 0.000 3.665 87 H HA -0.168 4.393 4.556 0.008 0.000 0.316 87 H C 0.934 176.270 175.328 0.012 0.000 0.870 87 H CA 0.380 56.413 56.048 -0.026 0.000 0.947 87 H CB -0.965 28.779 29.762 -0.031 0.000 1.453 87 H HN 0.852 nan 8.280 nan 0.000 0.339 88 V N 0.895 120.798 119.914 -0.019 0.000 3.444 88 V HA -0.008 4.116 4.120 0.008 0.000 0.271 88 V C 1.493 177.634 176.094 0.078 0.000 1.188 88 V CA 1.739 64.064 62.300 0.041 0.000 1.168 88 V CB 0.053 31.874 31.823 -0.004 0.000 0.810 88 V HN 0.468 nan 8.190 nan 0.000 0.500 89 D N -0.157 120.338 120.400 0.160 0.000 2.340 89 D HA 0.160 4.804 4.640 0.008 0.000 0.220 89 D C 0.274 176.648 176.300 0.123 0.000 1.039 89 D CA 0.271 54.335 54.000 0.106 0.000 0.866 89 D CB -0.089 40.797 40.800 0.143 0.000 0.913 89 D HN 0.586 nan 8.370 nan 0.000 0.523 90 F N 1.413 121.396 119.950 0.056 0.000 2.467 90 F HA 0.157 4.689 4.527 0.007 0.000 0.349 90 F C 0.481 176.278 175.800 -0.005 0.000 1.182 90 F CA -0.453 57.551 58.000 0.007 0.000 1.279 90 F CB 0.220 39.226 39.000 0.009 0.000 1.626 90 F HN -0.286 nan 8.300 nan 0.000 0.596 91 T N 4.476 118.906 114.554 -0.206 0.000 3.792 91 T HA 0.138 4.492 4.350 0.008 0.000 0.233 91 T C 1.067 175.708 174.700 -0.099 0.000 0.860 91 T CA 0.379 62.413 62.100 -0.111 0.000 0.915 91 T CB -0.497 68.284 68.868 -0.146 0.000 1.216 91 T HN 0.453 nan 8.240 nan 0.000 0.664 92 I N -0.480 120.043 120.570 -0.079 0.000 4.228 92 I HA 0.204 4.378 4.170 0.008 0.000 0.298 92 I C 2.032 178.271 176.117 0.203 0.000 1.206 92 I CA 0.213 61.542 61.300 0.048 0.000 1.322 92 I CB 0.147 38.100 38.000 -0.079 0.000 1.411 92 I HN 0.126 nan 8.210 nan 0.000 0.454 93 E N 0.696 121.127 120.200 0.385 0.000 2.427 93 E HA -0.018 4.337 4.350 0.008 0.000 0.196 93 E C 1.933 178.616 176.600 0.139 0.000 1.028 93 E CA 0.591 57.159 56.400 0.280 0.000 0.864 93 E CB 0.372 30.237 29.700 0.275 0.000 0.813 93 E HN 0.263 nan 8.360 nan 0.000 0.514 94 V N 1.242 121.223 119.914 0.113 0.000 2.374 94 V HA -0.169 3.955 4.120 0.008 0.000 0.241 94 V C 1.961 177.974 176.094 -0.134 0.000 1.034 94 V CA 1.340 63.652 62.300 0.019 0.000 1.037 94 V CB -0.354 31.508 31.823 0.066 0.000 0.682 94 V HN 0.188 nan 8.190 nan 0.000 0.463 95 E N 0.431 120.545 120.200 -0.143 0.000 2.130 95 E HA -0.306 4.048 4.350 0.008 0.000 0.196 95 E C 2.331 178.743 176.600 -0.313 0.000 0.998 95 E CA 1.481 57.644 56.400 -0.396 0.000 0.806 95 E CB -0.242 29.421 29.700 -0.063 0.000 0.738 95 E HN 0.426 nan 8.360 nan 0.000 0.459 96 R N 0.870 121.302 120.500 -0.113 0.000 2.075 96 R HA -0.097 4.247 4.340 0.008 0.000 0.232 96 R C 2.558 178.775 176.300 -0.138 0.000 1.126 96 R CA 1.623 57.687 56.100 -0.060 0.000 0.963 96 R CB -0.024 30.315 30.300 0.065 0.000 0.858 96 R HN 0.192 nan 8.270 nan 0.000 0.435 97 S N -0.516 115.100 115.700 -0.140 0.000 2.489 97 S HA -0.025 4.450 4.470 0.008 0.000 0.228 97 S C 1.944 176.403 174.600 -0.235 0.000 0.995 97 S CA 0.381 58.458 58.200 -0.206 0.000 0.934 97 S CB 0.096 63.236 63.200 -0.100 0.000 0.771 97 S HN 0.182 nan 8.310 nan 0.000 0.522 98 M N 1.495 120.932 119.600 -0.271 0.000 2.254 98 M HA 0.126 4.611 4.480 0.008 0.000 0.265 98 M C 2.231 178.398 176.300 -0.221 0.000 1.066 98 M CA 1.041 56.172 55.300 -0.283 0.000 1.123 98 M CB -0.838 31.437 32.600 -0.541 0.000 1.388 98 M HN 0.401 nan 8.290 nan 0.000 0.425 99 R N -0.735 119.630 120.500 -0.225 0.000 2.148 99 R HA -0.017 4.327 4.340 0.008 0.000 0.223 99 R C 2.206 178.477 176.300 -0.048 0.000 1.088 99 R CA 0.696 56.736 56.100 -0.100 0.000 0.985 99 R CB -0.154 30.100 30.300 -0.077 0.000 0.880 99 R HN 0.176 nan 8.270 nan 0.000 0.451 100 V N 1.953 121.746 119.914 -0.201 0.000 2.346 100 V HA -0.084 4.040 4.120 0.008 0.000 0.244 100 V C 1.127 177.070 176.094 -0.252 0.000 1.037 100 V CA 0.892 62.990 62.300 -0.335 0.000 1.029 100 V CB -0.332 30.996 31.823 -0.825 0.000 0.663 100 V HN 0.199 nan 8.190 nan 0.000 0.454 101 L N -1.389 119.708 121.223 -0.209 0.000 2.475 101 L HA 0.423 4.767 4.340 0.008 0.000 0.253 101 L C 0.605 177.428 176.870 -0.080 0.000 1.198 101 L CA 0.540 55.299 54.840 -0.135 0.000 0.814 101 L CB -0.033 41.957 42.059 -0.115 0.000 1.134 101 L HN -0.047 nan 8.230 nan 0.000 0.478 102 D N -0.178 120.189 120.400 -0.055 0.000 2.626 102 D HA 0.266 4.910 4.640 0.008 0.000 0.274 102 D C 0.540 176.832 176.300 -0.013 0.000 1.045 102 D CA 0.891 54.877 54.000 -0.024 0.000 0.925 102 D CB 0.534 41.324 40.800 -0.016 0.000 1.260 102 D HN 0.781 nan 8.370 nan 0.000 0.490 103 G N -0.309 108.482 108.800 -0.016 0.000 2.533 103 G HA2 0.675 4.640 3.960 0.008 0.000 0.304 103 G HA3 0.675 4.640 3.960 0.008 0.000 0.304 103 G C -1.370 173.525 174.900 -0.009 0.000 1.263 103 G CA -0.422 44.677 45.100 -0.002 0.000 0.964 103 G HN 0.201 nan 8.290 nan 0.000 0.479 104 A N 0.354 123.180 122.820 0.009 0.000 2.435 104 A HA 0.775 5.100 4.320 0.008 0.000 0.304 104 A C -0.818 176.792 177.584 0.043 0.000 1.064 104 A CA -0.622 51.421 52.037 0.011 0.000 0.727 104 A CB 1.240 20.244 19.000 0.008 0.000 1.284 104 A HN 0.633 nan 8.150 nan 0.000 0.415 105 I N 2.011 122.597 120.570 0.027 0.000 2.321 105 I HA 0.326 4.500 4.170 0.008 0.000 0.291 105 I C -0.617 175.548 176.117 0.080 0.000 0.998 105 I CA -0.623 60.713 61.300 0.060 0.000 1.227 105 I CB 1.685 39.677 38.000 -0.014 0.000 1.368 105 I HN 0.299 nan 8.210 nan 0.000 0.466 106 V N 7.653 127.656 119.914 0.149 0.000 2.350 106 V HA 0.270 4.395 4.120 0.008 0.000 0.276 106 V C 0.150 176.262 176.094 0.031 0.000 1.028 106 V CA -0.649 61.690 62.300 0.065 0.000 0.860 106 V CB 1.422 33.334 31.823 0.148 0.000 0.990 106 V HN 0.374 nan 8.190 nan 0.000 0.453 107 V N 6.016 125.881 119.914 -0.081 0.000 2.439 107 V HA 0.500 4.625 4.120 0.008 0.000 0.282 107 V C -0.411 175.548 176.094 -0.225 0.000 1.039 107 V CA -0.342 61.974 62.300 0.027 0.000 0.913 107 V CB 1.160 33.055 31.823 0.120 0.000 0.983 107 V HN 0.640 nan 8.190 nan 0.000 0.460 108 F N 1.920 121.877 119.950 0.012 0.000 2.495 108 F HA 0.409 4.941 4.527 0.008 0.000 0.327 108 F C 0.308 176.056 175.800 -0.087 0.000 1.103 108 F CA -0.786 57.191 58.000 -0.039 0.000 0.949 108 F CB 1.545 40.495 39.000 -0.082 0.000 1.142 108 F HN 0.409 nan 8.300 nan 0.000 0.457 109 D N 1.312 121.778 120.400 0.110 0.000 2.352 109 D HA 0.079 4.723 4.640 0.008 0.000 0.245 109 D C 0.757 177.058 176.300 0.002 0.000 1.224 109 D CA 0.024 54.042 54.000 0.029 0.000 0.879 109 D CB 0.904 41.728 40.800 0.039 0.000 1.057 109 D HN 0.492 nan 8.370 nan 0.000 0.491 110 S N 1.352 117.010 115.700 -0.070 0.000 2.650 110 S HA -0.008 4.466 4.470 0.008 0.000 0.219 110 S C 1.423 175.963 174.600 -0.099 0.000 0.960 110 S CA -0.191 57.941 58.200 -0.114 0.000 0.925 110 S CB 0.123 63.200 63.200 -0.205 0.000 0.775 110 S HN 0.274 nan 8.310 nan 0.000 0.525 111 S N 2.698 118.357 115.700 -0.067 0.000 2.303 111 S HA -0.040 4.435 4.470 0.008 0.000 0.207 111 S C 2.065 176.644 174.600 -0.035 0.000 1.025 111 S CA 0.480 58.649 58.200 -0.052 0.000 0.953 111 S CB -0.419 62.758 63.200 -0.038 0.000 0.932 111 S HN 0.495 nan 8.310 nan 0.000 0.472 112 Q N 1.168 120.955 119.800 -0.021 0.000 2.224 112 Q HA 0.192 4.537 4.340 0.008 0.000 0.203 112 Q C 1.461 177.447 176.000 -0.024 0.000 0.970 112 Q CA 1.194 56.987 55.803 -0.016 0.000 0.865 112 Q CB -0.587 28.149 28.738 -0.004 0.000 0.922 112 Q HN 0.642 nan 8.270 nan 0.000 0.445 113 G N -0.465 108.318 108.800 -0.029 0.000 2.390 113 G HA2 -0.166 3.799 3.960 0.008 0.000 0.202 113 G HA3 -0.166 3.799 3.960 0.008 0.000 0.202 113 G C -1.207 173.679 174.900 -0.024 0.000 1.210 113 G CA -0.334 44.742 45.100 -0.039 0.000 1.271 113 G HN 0.079 nan 8.290 nan 0.000 0.543 114 V N 2.229 122.124 119.914 -0.032 0.000 2.340 114 V HA 0.531 4.656 4.120 0.008 0.000 0.277 114 V C -0.242 175.819 176.094 -0.055 0.000 1.017 114 V CA -0.453 61.844 62.300 -0.004 0.000 0.820 114 V CB 0.890 32.715 31.823 0.003 0.000 1.028 114 V HN 0.680 nan 8.190 nan 0.000 0.436 115 E N 6.179 126.305 120.200 -0.125 0.000 2.371 115 E HA 0.295 4.649 4.350 0.008 0.000 0.257 115 E C -1.528 174.948 176.600 -0.207 0.000 1.134 115 E CA -1.372 54.922 56.400 -0.177 0.000 0.919 115 E CB 0.260 29.814 29.700 -0.243 0.000 1.025 115 E HN 0.280 nan 8.360 nan 0.000 0.438 116 P HA -0.390 nan 4.420 nan 0.000 0.222 116 P C 1.149 178.412 177.300 -0.062 0.000 0.821 116 P CA 1.607 64.669 63.100 -0.063 0.000 1.062 116 P CB 0.065 31.749 31.700 -0.026 0.000 0.720 117 Q N -0.546 119.225 119.800 -0.048 0.000 2.368 117 Q HA -0.134 4.211 4.340 0.008 0.000 0.210 117 Q C 1.913 177.986 176.000 0.122 0.000 0.982 117 Q CA 1.430 57.301 55.803 0.114 0.000 0.884 117 Q CB -0.353 28.581 28.738 0.325 0.000 0.933 117 Q HN 0.224 nan 8.270 nan 0.000 0.460 118 S N 0.645 116.271 115.700 -0.124 0.000 2.419 118 S HA -0.199 4.276 4.470 0.008 0.000 0.235 118 S C 1.555 176.218 174.600 0.106 0.000 1.019 118 S CA 1.392 59.581 58.200 -0.019 0.000 0.982 118 S CB -0.145 63.015 63.200 -0.067 0.000 0.789 118 S HN 0.496 nan 8.310 nan 0.000 0.490 119 E N 1.034 121.297 120.200 0.105 0.000 2.072 119 E HA -0.132 4.223 4.350 0.008 0.000 0.191 119 E C 1.812 178.544 176.600 0.220 0.000 0.985 119 E CA 1.468 57.973 56.400 0.175 0.000 0.801 119 E CB -0.168 29.605 29.700 0.122 0.000 0.750 119 E HN 0.456 nan 8.360 nan 0.000 0.452 120 T N 1.030 115.676 114.554 0.154 0.000 2.665 120 T HA -0.201 4.154 4.350 0.008 0.000 0.268 120 T C 2.013 176.790 174.700 0.129 0.000 1.035 120 T CA 1.858 64.036 62.100 0.130 0.000 1.151 120 T CB -0.561 68.367 68.868 0.101 0.000 0.862 120 T HN 0.327 nan 8.240 nan 0.000 0.438 121 V N -0.540 119.454 119.914 0.133 0.000 2.594 121 V HA -0.064 4.060 4.120 0.008 0.000 0.253 121 V C 2.008 178.190 176.094 0.147 0.000 1.069 121 V CA 1.236 63.599 62.300 0.106 0.000 1.082 121 V CB -1.006 30.853 31.823 0.060 0.000 0.680 121 V HN 0.720 nan 8.190 nan 0.000 0.469 122 W N 1.169 122.489 121.300 0.033 0.000 2.453 122 W HA -0.009 4.656 4.660 0.008 0.000 0.289 122 W C 2.462 179.012 176.519 0.051 0.000 1.215 122 W CA 1.016 58.397 57.345 0.059 0.000 1.297 122 W CB -0.057 29.465 29.460 0.103 0.000 1.113 122 W HN 0.192 nan 8.180 nan 0.000 0.551 123 R N 0.861 121.398 120.500 0.061 0.000 2.148 123 R HA -0.130 4.215 4.340 0.008 0.000 0.227 123 R C 2.074 178.290 176.300 -0.139 0.000 1.103 123 R CA 1.340 57.409 56.100 -0.052 0.000 0.983 123 R CB -0.855 29.481 30.300 0.060 0.000 0.874 123 R HN 0.482 nan 8.270 nan 0.000 0.451 124 Q N -0.034 119.729 119.800 -0.062 0.000 2.046 124 Q HA -0.023 4.322 4.340 0.008 0.000 0.200 124 Q C 2.201 178.185 176.000 -0.026 0.000 0.975 124 Q CA 1.600 57.404 55.803 0.001 0.000 0.836 124 Q CB -0.233 28.575 28.738 0.117 0.000 0.896 124 Q HN 0.324 nan 8.270 nan 0.000 0.428 125 A N 1.465 124.213 122.820 -0.119 0.000 1.917 125 A HA -0.278 4.046 4.320 0.008 0.000 0.219 125 A C 1.883 179.300 177.584 -0.277 0.000 1.182 125 A CA 1.728 53.656 52.037 -0.183 0.000 0.633 125 A CB -0.523 18.293 19.000 -0.306 0.000 0.819 125 A HN 0.349 nan 8.150 nan 0.000 0.448 126 E N -0.644 119.293 120.200 -0.439 0.000 2.077 126 E HA -0.229 4.126 4.350 0.008 0.000 0.193 126 E C 2.128 178.564 176.600 -0.274 0.000 0.989 126 E CA 1.403 57.580 56.400 -0.371 0.000 0.800 126 E CB -0.179 29.297 29.700 -0.373 0.000 0.746 126 E HN 0.691 nan 8.360 nan 0.000 0.452 127 K N 0.328 120.520 120.400 -0.347 0.000 2.063 127 K HA -0.173 4.152 4.320 0.008 0.000 0.208 127 K C 1.022 177.276 176.600 -0.577 0.000 1.048 127 K CA 1.401 57.365 56.287 -0.538 0.000 0.928 127 K CB -0.030 31.969 32.500 -0.836 0.000 0.713 127 K HN 0.128 nan 8.250 nan 0.000 0.442 128 Y N 0.936 121.187 120.300 -0.082 0.000 2.571 128 Y HA 0.256 4.810 4.550 0.008 0.000 0.275 128 Y C -0.325 175.533 175.900 -0.070 0.000 1.179 128 Y CA -0.416 57.645 58.100 -0.065 0.000 1.242 128 Y CB 0.471 38.898 38.460 -0.055 0.000 1.126 128 Y HN -0.074 nan 8.280 nan 0.000 0.524 129 K N 0.295 120.684 120.400 -0.018 0.000 3.148 129 K HA -0.170 4.154 4.320 0.008 0.000 0.267 129 K C -0.334 176.258 176.600 -0.014 0.000 0.996 129 K CA 0.685 56.953 56.287 -0.031 0.000 0.737 129 K CB -1.631 30.859 32.500 -0.016 0.000 1.308 129 K HN 0.266 nan 8.250 nan 0.000 0.470 130 V N 0.067 119.965 119.914 -0.026 0.000 2.370 130 V HA 0.438 4.563 4.120 0.008 0.000 0.283 130 V C -2.256 173.817 176.094 -0.036 0.000 1.023 130 V CA -2.083 60.207 62.300 -0.017 0.000 0.857 130 V CB 1.455 33.278 31.823 -0.000 0.000 0.985 130 V HN 0.011 nan 8.190 nan 0.000 0.443 131 P HA 0.335 nan 4.420 nan 0.000 0.269 131 P C -1.064 176.254 177.300 0.031 0.000 1.209 131 P CA -0.025 63.081 63.100 0.009 0.000 0.776 131 P CB 0.316 32.029 31.700 0.022 0.000 0.876 132 R N 2.341 122.883 120.500 0.070 0.000 2.739 132 R HA 0.794 5.139 4.340 0.008 0.000 0.271 132 R C -1.129 175.283 176.300 0.188 0.000 1.010 132 R CA -1.043 55.130 56.100 0.121 0.000 0.897 132 R CB 1.312 31.691 30.300 0.130 0.000 1.236 132 R HN 0.453 nan 8.270 nan 0.000 0.466 133 I N -1.756 118.947 120.570 0.223 0.000 2.730 133 I HA 0.813 4.988 4.170 0.008 0.000 0.298 133 I C -0.633 175.689 176.117 0.342 0.000 1.089 133 I CA -1.267 60.208 61.300 0.292 0.000 1.041 133 I CB 2.422 40.645 38.000 0.372 0.000 1.235 133 I HN 0.814 nan 8.210 nan 0.000 0.423 134 A N 4.202 127.239 122.820 0.362 0.000 2.303 134 A HA 0.782 5.107 4.320 0.008 0.000 0.317 134 A C -1.295 176.582 177.584 0.487 0.000 1.149 134 A CA -0.327 51.965 52.037 0.426 0.000 0.822 134 A CB 0.911 20.102 19.000 0.317 0.000 1.131 134 A HN 0.697 nan 8.150 nan 0.000 0.493 135 F N 2.097 122.222 119.950 0.291 0.000 2.577 135 F HA 0.569 5.100 4.527 0.008 0.000 0.344 135 F C 0.192 176.094 175.800 0.170 0.000 1.145 135 F CA -0.946 57.173 58.000 0.199 0.000 0.996 135 F CB 1.243 40.316 39.000 0.121 0.000 1.248 135 F HN 0.659 nan 8.300 nan 0.000 0.447 136 A N 6.359 128.942 122.820 -0.395 0.000 2.671 136 A HA 0.206 4.531 4.320 0.008 0.000 0.306 136 A C 0.170 177.285 177.584 -0.781 0.000 1.473 136 A CA -0.320 51.453 52.037 -0.440 0.000 1.155 136 A CB -0.567 18.209 19.000 -0.372 0.000 1.123 136 A HN 0.864 nan 8.150 nan 0.000 0.545 137 N N 1.549 119.848 118.700 -0.668 0.000 2.445 137 N HA 0.186 4.931 4.740 0.008 0.000 0.264 137 N C -0.385 174.947 175.510 -0.297 0.000 1.227 137 N CA -0.263 52.468 53.050 -0.532 0.000 0.963 137 N CB 0.239 38.606 38.487 -0.200 0.000 1.188 137 N HN 0.560 nan 8.380 nan 0.000 0.491 138 K N 1.228 121.499 120.400 -0.214 0.000 3.218 138 K HA -0.111 4.214 4.320 0.008 0.000 0.276 138 K C 0.496 176.954 176.600 -0.237 0.000 1.173 138 K CA 0.153 56.346 56.287 -0.157 0.000 0.812 138 K CB -1.023 31.416 32.500 -0.103 0.000 1.275 138 K HN 0.657 nan 8.250 nan 0.000 0.504 139 M N 0.505 119.873 119.600 -0.387 0.000 2.630 139 M HA -0.097 4.387 4.480 0.008 0.000 0.254 139 M C 1.731 177.735 176.300 -0.494 0.000 1.092 139 M CA 1.566 56.480 55.300 -0.644 0.000 1.087 139 M CB -0.500 31.326 32.600 -1.290 0.000 1.453 139 M HN 0.385 nan 8.290 nan 0.000 0.509 140 D N -0.410 119.881 120.400 -0.181 0.000 2.327 140 D HA -0.054 4.591 4.640 0.008 0.000 0.205 140 D C 0.794 177.090 176.300 -0.008 0.000 0.989 140 D CA 0.159 54.173 54.000 0.024 0.000 0.873 140 D CB 0.237 41.107 40.800 0.116 0.000 0.955 140 D HN 0.228 nan 8.370 nan 0.000 0.515 141 K N 2.060 122.430 120.400 -0.049 0.000 2.270 141 K HA 0.101 4.425 4.320 0.008 0.000 0.276 141 K C -0.008 176.571 176.600 -0.037 0.000 1.023 141 K CA -0.304 55.962 56.287 -0.033 0.000 0.955 141 K CB 0.881 33.357 32.500 -0.040 0.000 0.975 141 K HN 0.013 nan 8.250 nan 0.000 0.471 142 T N 0.897 115.441 114.554 -0.016 0.000 2.871 142 T HA 0.250 4.605 4.350 0.008 0.000 0.296 142 T C 0.986 175.672 174.700 -0.023 0.000 0.998 142 T CA 0.284 62.376 62.100 -0.013 0.000 1.162 142 T CB 0.531 69.398 68.868 -0.001 0.000 0.947 142 T HN 0.876 nan 8.240 nan 0.000 0.536 143 G N 1.823 110.608 108.800 -0.026 0.000 2.168 143 G HA2 0.063 4.028 3.960 0.008 0.000 0.197 143 G HA3 0.063 4.028 3.960 0.008 0.000 0.197 143 G C 0.266 175.132 174.900 -0.055 0.000 0.997 143 G CA -0.262 44.819 45.100 -0.031 0.000 0.658 143 G HN 1.584 nan 8.290 nan 0.000 0.513 144 A N 0.727 123.499 122.820 -0.080 0.000 2.475 144 A HA 0.532 4.857 4.320 0.008 0.000 0.293 144 A C -0.027 177.476 177.584 -0.136 0.000 1.252 144 A CA 0.657 52.612 52.037 -0.135 0.000 0.920 144 A CB 0.147 19.031 19.000 -0.193 0.000 1.125 144 A HN 0.345 nan 8.150 nan 0.000 0.528 145 D N 3.098 123.420 120.400 -0.130 0.000 2.441 145 D HA 0.172 4.816 4.640 0.008 0.000 0.231 145 D C 0.997 177.159 176.300 -0.230 0.000 1.073 145 D CA -0.566 53.362 54.000 -0.120 0.000 0.850 145 D CB 0.814 41.596 40.800 -0.030 0.000 1.062 145 D HN 0.293 nan 8.370 nan 0.000 0.524 146 L N 4.016 124.994 121.223 -0.409 0.000 2.046 146 L HA -0.091 4.253 4.340 0.008 0.000 0.208 146 L C 1.075 177.605 176.870 -0.566 0.000 1.077 146 L CA 1.657 56.120 54.840 -0.628 0.000 0.747 146 L CB -0.425 41.045 42.059 -0.981 0.000 0.896 146 L HN 0.563 nan 8.230 nan 0.000 0.432 147 W N -0.500 120.719 121.300 -0.136 0.000 2.436 147 W HA -0.171 4.494 4.660 0.008 0.000 0.284 147 W C 2.316 178.760 176.519 -0.125 0.000 1.225 147 W CA -0.074 57.199 57.345 -0.120 0.000 1.271 147 W CB -0.527 28.887 29.460 -0.076 0.000 1.114 147 W HN 0.113 nan 8.180 nan 0.000 0.559 148 L N 0.471 121.726 121.223 0.054 0.000 2.079 148 L HA -0.176 4.169 4.340 0.008 0.000 0.210 148 L C 2.062 178.867 176.870 -0.109 0.000 1.081 148 L CA 1.696 56.525 54.840 -0.020 0.000 0.752 148 L CB -1.006 41.033 42.059 -0.033 0.000 0.896 148 L HN -0.109 nan 8.230 nan 0.000 0.433 149 V N -0.345 119.454 119.914 -0.191 0.000 2.270 149 V HA -0.284 3.841 4.120 0.008 0.000 0.245 149 V C 2.504 178.391 176.094 -0.344 0.000 1.043 149 V CA 1.762 63.861 62.300 -0.335 0.000 1.014 149 V CB -0.590 30.979 31.823 -0.423 0.000 0.645 149 V HN 0.333 nan 8.190 nan 0.000 0.447 150 I N 0.049 120.473 120.570 -0.243 0.000 2.163 150 I HA -0.248 3.927 4.170 0.008 0.000 0.243 150 I C 2.654 178.698 176.117 -0.121 0.000 1.085 150 I CA 1.845 63.044 61.300 -0.169 0.000 1.347 150 I CB -1.295 36.702 38.000 -0.006 0.000 1.044 150 I HN 0.325 nan 8.210 nan 0.000 0.408 151 R N 0.398 120.863 120.500 -0.059 0.000 2.092 151 R HA -0.118 4.227 4.340 0.008 0.000 0.231 151 R C 2.304 178.543 176.300 -0.101 0.000 1.119 151 R CA 2.002 58.072 56.100 -0.050 0.000 0.970 151 R CB -0.424 29.869 30.300 -0.010 0.000 0.864 151 R HN 0.555 nan 8.270 nan 0.000 0.440 152 T N -1.352 113.117 114.554 -0.142 0.000 2.995 152 T HA -0.040 4.315 4.350 0.008 0.000 0.269 152 T C 1.846 176.407 174.700 -0.231 0.000 1.091 152 T CA 0.793 62.796 62.100 -0.160 0.000 1.128 152 T CB -0.021 68.754 68.868 -0.154 0.000 0.891 152 T HN 0.104 nan 8.240 nan 0.000 0.492 153 M N 0.728 120.140 119.600 -0.312 0.000 2.200 153 M HA -0.001 4.484 4.480 0.008 0.000 0.265 153 M C 2.672 178.799 176.300 -0.288 0.000 1.066 153 M CA 1.373 56.429 55.300 -0.407 0.000 1.127 153 M CB -0.321 31.995 32.600 -0.474 0.000 1.379 153 M HN 0.281 nan 8.290 nan 0.000 0.420 154 Q N -0.244 119.447 119.800 -0.182 0.000 2.046 154 Q HA -0.140 4.205 4.340 0.008 0.000 0.200 154 Q C 1.978 177.925 176.000 -0.089 0.000 0.975 154 Q CA 1.030 56.768 55.803 -0.108 0.000 0.836 154 Q CB 0.051 28.749 28.738 -0.067 0.000 0.896 154 Q HN 0.428 nan 8.270 nan 0.000 0.428 155 E N 0.567 120.711 120.200 -0.093 0.000 2.022 155 E HA -0.045 4.310 4.350 0.008 0.000 0.190 155 E C 2.097 178.657 176.600 -0.067 0.000 0.973 155 E CA 0.832 57.191 56.400 -0.068 0.000 0.816 155 E CB 0.047 29.711 29.700 -0.060 0.000 0.781 155 E HN 0.218 nan 8.360 nan 0.000 0.456 156 R N 0.440 120.890 120.500 -0.084 0.000 2.055 156 R HA 0.075 4.419 4.340 0.008 0.000 0.226 156 R C 2.640 178.901 176.300 -0.065 0.000 1.135 156 R CA 0.820 56.884 56.100 -0.061 0.000 0.959 156 R CB -0.341 29.928 30.300 -0.053 0.000 0.854 156 R HN 0.104 nan 8.270 nan 0.000 0.431 157 L N -0.399 120.716 121.223 -0.180 0.000 2.109 157 L HA 0.098 4.442 4.340 0.008 0.000 0.207 157 L C 1.106 177.942 176.870 -0.057 0.000 1.086 157 L CA 0.868 55.532 54.840 -0.292 0.000 0.760 157 L CB -0.620 40.841 42.059 -0.997 0.000 0.910 157 L HN 0.561 nan 8.230 nan 0.000 0.437 158 G N 0.110 108.861 108.800 -0.081 0.000 2.298 158 G HA2 -0.239 3.726 3.960 0.008 0.000 0.287 158 G HA3 -0.239 3.726 3.960 0.008 0.000 0.287 158 G C 0.678 175.626 174.900 0.081 0.000 1.075 158 G CA 0.322 45.434 45.100 0.020 0.000 0.960 158 G HN 0.487 nan 8.290 nan 0.000 0.502 159 A N -0.038 122.747 122.820 -0.057 0.000 2.238 159 A HA 0.576 4.900 4.320 0.008 0.000 0.210 159 A C 1.635 179.260 177.584 0.069 0.000 1.179 159 A CA 1.334 53.381 52.037 0.017 0.000 0.827 159 A CB 0.002 18.717 19.000 -0.474 0.000 0.856 159 A HN 1.511 nan 8.150 nan 0.000 0.488 160 R N -0.197 120.316 120.500 0.021 0.000 2.884 160 R HA -0.131 4.214 4.340 0.008 0.000 0.251 160 R C -2.509 173.800 176.300 0.014 0.000 0.870 160 R CA 0.490 56.606 56.100 0.026 0.000 0.647 160 R CB -1.047 29.293 30.300 0.066 0.000 1.415 160 R HN 0.317 nan 8.270 nan 0.000 0.513 161 P HA 0.076 nan 4.420 nan 0.000 0.275 161 P C -0.581 176.698 177.300 -0.034 0.000 1.228 161 P CA -0.182 62.884 63.100 -0.056 0.000 0.786 161 P CB 1.552 33.184 31.700 -0.112 0.000 0.927 162 V N 4.313 124.187 119.914 -0.067 0.000 2.444 162 V HA 0.201 4.326 4.120 0.008 0.000 0.294 162 V C -0.434 175.580 176.094 -0.133 0.000 1.022 162 V CA -0.931 61.331 62.300 -0.063 0.000 0.850 162 V CB 1.719 33.504 31.823 -0.063 0.000 0.992 162 V HN 0.204 nan 8.190 nan 0.000 0.426 163 V N 9.325 129.206 119.914 -0.054 0.000 2.479 163 V HA 0.137 4.262 4.120 0.008 0.000 0.281 163 V C 1.086 177.098 176.094 -0.137 0.000 1.031 163 V CA 0.206 62.437 62.300 -0.115 0.000 1.038 163 V CB 1.195 33.000 31.823 -0.029 0.000 0.981 163 V HN 0.917 nan 8.190 nan 0.000 0.478 164 M N 3.661 123.090 119.600 -0.285 0.000 2.491 164 M HA 0.234 4.719 4.480 0.008 0.000 0.259 164 M C 0.477 176.732 176.300 -0.076 0.000 1.163 164 M CA 0.666 55.818 55.300 -0.247 0.000 1.109 164 M CB 0.047 32.266 32.600 -0.635 0.000 1.353 164 M HN 0.829 nan 8.290 nan 0.000 0.500 165 Q N 0.206 119.942 119.800 -0.107 0.000 2.482 165 Q HA 0.686 5.031 4.340 0.008 0.000 0.286 165 Q C -1.728 174.221 176.000 -0.086 0.000 1.007 165 Q CA -0.964 54.836 55.803 -0.006 0.000 0.801 165 Q CB 2.372 31.174 28.738 0.107 0.000 1.455 165 Q HN -0.033 nan 8.270 nan 0.000 0.398 166 L N 1.240 122.448 121.223 -0.026 0.000 2.381 166 L HA 0.660 5.004 4.340 0.008 0.000 0.268 166 L C -2.562 174.295 176.870 -0.021 0.000 0.997 166 L CA -2.024 52.781 54.840 -0.059 0.000 0.818 166 L CB 1.612 43.688 42.059 0.028 0.000 1.310 166 L HN 0.573 nan 8.230 nan 0.000 0.416 167 P HA 0.412 nan 4.420 nan 0.000 0.277 167 P C -0.832 176.429 177.300 -0.065 0.000 1.240 167 P CA -0.202 62.960 63.100 0.104 0.000 0.798 167 P CB 0.805 32.519 31.700 0.024 0.000 0.979 168 I N 1.471 122.028 120.570 -0.021 0.000 2.382 168 I HA 0.596 4.771 4.170 0.008 0.000 0.286 168 I C 0.607 176.775 176.117 0.084 0.000 1.002 168 I CA -0.076 61.044 61.300 -0.299 0.000 1.135 168 I CB 0.833 38.635 38.000 -0.330 0.000 1.288 168 I HN 0.603 nan 8.210 nan 0.000 0.448 169 G N 4.348 113.298 108.800 0.250 0.000 2.699 169 G HA2 -0.173 3.792 3.960 0.008 0.000 0.686 169 G HA3 -0.173 3.792 3.960 0.008 0.000 0.686 169 G C -0.378 174.692 174.900 0.284 0.000 1.301 169 G CA -0.431 44.834 45.100 0.275 0.000 0.816 169 G HN 0.659 nan 8.290 nan 0.000 0.595 170 R N -0.026 120.601 120.500 0.211 0.000 1.909 170 R HA 0.445 4.789 4.340 0.008 0.000 0.173 170 R C 2.316 178.680 176.300 0.107 0.000 1.536 170 R CA 1.905 58.092 56.100 0.145 0.000 1.352 170 R CB -0.348 30.018 30.300 0.110 0.000 0.888 170 R HN 0.725 nan 8.270 nan 0.000 0.503 171 E N -0.442 119.811 120.200 0.087 0.000 2.118 171 E HA -0.009 4.345 4.350 0.008 0.000 0.203 171 E C 1.251 177.912 176.600 0.102 0.000 0.958 171 E CA 0.730 57.162 56.400 0.052 0.000 0.957 171 E CB -0.014 29.701 29.700 0.026 0.000 1.205 171 E HN 0.540 nan 8.360 nan 0.000 0.494 172 D N 0.351 120.802 120.400 0.086 0.000 2.317 172 D HA -0.104 4.540 4.640 0.008 0.000 0.211 172 D C 1.514 177.877 176.300 0.105 0.000 0.966 172 D CA 1.135 55.187 54.000 0.087 0.000 0.876 172 D CB -0.524 40.311 40.800 0.058 0.000 0.927 172 D HN 0.224 nan 8.370 nan 0.000 0.519 173 T N -2.914 111.713 114.554 0.121 0.000 3.144 173 T HA 0.115 4.470 4.350 0.008 0.000 0.249 173 T C 0.358 175.153 174.700 0.158 0.000 1.089 173 T CA -0.816 61.354 62.100 0.117 0.000 0.989 173 T CB -0.980 67.953 68.868 0.108 0.000 0.992 173 T HN 0.043 nan 8.240 nan 0.000 0.540 174 F N 4.177 124.147 119.950 0.033 0.000 2.538 174 F HA 0.368 4.899 4.527 0.008 0.000 0.382 174 F C 0.885 176.708 175.800 0.040 0.000 1.069 174 F CA -0.792 57.222 58.000 0.024 0.000 1.138 174 F CB 0.335 39.330 39.000 -0.007 0.000 1.068 174 F HN 0.236 nan 8.300 nan 0.000 0.556 175 S N 2.768 118.230 115.700 -0.397 0.000 2.817 175 S HA 0.560 5.034 4.470 0.008 0.000 0.262 175 S C 0.256 174.730 174.600 -0.209 0.000 1.051 175 S CA -0.002 58.040 58.200 -0.264 0.000 1.185 175 S CB 0.040 63.204 63.200 -0.060 0.000 1.152 175 S HN 0.954 nan 8.310 nan 0.000 0.653 176 G N 0.647 109.244 108.800 -0.339 0.000 2.646 176 G HA2 0.682 4.646 3.960 0.008 0.000 0.291 176 G HA3 0.682 4.646 3.960 0.008 0.000 0.291 176 G C -2.056 172.831 174.900 -0.021 0.000 1.445 176 G CA -0.751 44.293 45.100 -0.092 0.000 0.814 176 G HN 0.259 nan 8.290 nan 0.000 0.495 177 I N 0.404 121.061 120.570 0.145 0.000 2.571 177 I HA 0.380 4.555 4.170 0.008 0.000 0.289 177 I C -0.699 175.551 176.117 0.221 0.000 1.115 177 I CA -0.608 60.822 61.300 0.218 0.000 1.045 177 I CB 2.473 40.666 38.000 0.322 0.000 1.238 177 I HN 0.269 nan 8.210 nan 0.000 0.424 178 I N 4.385 125.036 120.570 0.134 0.000 2.331 178 I HA 0.205 4.379 4.170 0.008 0.000 0.292 178 I C -0.345 175.883 176.117 0.186 0.000 0.998 178 I CA -0.293 61.083 61.300 0.127 0.000 1.267 178 I CB 1.207 39.242 38.000 0.059 0.000 1.386 178 I HN 0.505 nan 8.210 nan 0.000 0.476 179 D N 5.825 126.370 120.400 0.242 0.000 2.380 179 D HA 0.138 4.783 4.640 0.008 0.000 0.230 179 D C 0.936 177.355 176.300 0.198 0.000 1.154 179 D CA -0.512 53.639 54.000 0.252 0.000 0.859 179 D CB 1.478 42.484 40.800 0.342 0.000 1.045 179 D HN 0.365 nan 8.370 nan 0.000 0.495 180 V N 3.012 123.039 119.914 0.188 0.000 2.667 180 V HA -0.078 4.046 4.120 0.008 0.000 0.252 180 V C 1.903 178.195 176.094 0.330 0.000 1.065 180 V CA 1.084 63.518 62.300 0.224 0.000 1.083 180 V CB -0.780 31.182 31.823 0.231 0.000 0.692 180 V HN 0.534 nan 8.190 nan 0.000 0.468 181 L N 1.023 122.419 121.223 0.288 0.000 2.072 181 L HA 0.082 4.426 4.340 0.008 0.000 0.205 181 L C 2.540 179.600 176.870 0.316 0.000 1.079 181 L CA 1.840 56.872 54.840 0.320 0.000 0.752 181 L CB -0.589 41.619 42.059 0.248 0.000 0.906 181 L HN 0.193 nan 8.230 nan 0.000 0.436 182 R N -1.009 119.626 120.500 0.224 0.000 2.312 182 R HA 0.248 4.592 4.340 0.008 0.000 0.205 182 R C -0.067 176.278 176.300 0.075 0.000 0.904 182 R CA 0.074 56.267 56.100 0.154 0.000 1.052 182 R CB 0.176 30.567 30.300 0.152 0.000 1.014 182 R HN 0.218 nan 8.270 nan 0.000 0.503 183 M N 2.063 121.702 119.600 0.065 0.000 2.632 183 M HA -0.202 4.283 4.480 0.008 0.000 0.184 183 M C -1.004 175.288 176.300 -0.012 0.000 0.976 183 M CA 1.403 56.697 55.300 -0.009 0.000 0.612 183 M CB -1.885 30.636 32.600 -0.132 0.000 1.181 183 M HN 0.266 nan 8.290 nan 0.000 0.840 184 K N -0.619 119.781 120.400 0.000 0.000 2.533 184 K HA 0.970 5.295 4.320 0.008 0.000 0.272 184 K C -0.821 175.696 176.600 -0.139 0.000 0.985 184 K CA -0.758 55.470 56.287 -0.098 0.000 0.876 184 K CB 2.394 34.805 32.500 -0.149 0.000 1.452 184 K HN 0.252 nan 8.250 nan 0.000 0.439 185 A N 0.814 123.452 122.820 -0.304 0.000 2.527 185 A HA 0.756 5.081 4.320 0.008 0.000 0.293 185 A C -1.963 175.296 177.584 -0.542 0.000 1.117 185 A CA -0.830 51.056 52.037 -0.251 0.000 0.723 185 A CB 1.106 20.047 19.000 -0.098 0.000 1.313 185 A HN 0.635 nan 8.150 nan 0.000 0.411 186 Y N -0.109 120.144 120.300 -0.078 0.000 2.329 186 Y HA 0.519 5.074 4.550 0.008 0.000 0.328 186 Y C 0.593 176.328 175.900 -0.276 0.000 0.992 186 Y CA -0.371 57.609 58.100 -0.200 0.000 1.151 186 Y CB 2.356 40.670 38.460 -0.243 0.000 1.150 186 Y HN 0.639 nan 8.280 nan 0.000 0.450 187 T N 3.003 117.458 114.554 -0.166 0.000 2.882 187 T HA 0.446 4.800 4.350 0.008 0.000 0.287 187 T C -1.194 173.343 174.700 -0.272 0.000 0.992 187 T CA -0.251 61.764 62.100 -0.141 0.000 1.076 187 T CB 0.269 69.095 68.868 -0.070 0.000 0.961 187 T HN 0.440 nan 8.240 nan 0.000 0.490 188 Y N 2.820 123.098 120.300 -0.036 0.000 2.334 188 Y HA 0.444 4.998 4.550 0.008 0.000 0.336 188 Y C 1.320 177.210 175.900 -0.017 0.000 0.960 188 Y CA -0.686 57.401 58.100 -0.021 0.000 1.164 188 Y CB 1.659 40.084 38.460 -0.058 0.000 1.155 188 Y HN 0.839 nan 8.280 nan 0.000 0.478 189 G N 3.392 112.265 108.800 0.123 0.000 2.433 189 G HA2 -0.187 3.778 3.960 0.008 0.000 0.216 189 G HA3 -0.187 3.778 3.960 0.008 0.000 0.216 189 G C 0.629 175.579 174.900 0.083 0.000 1.186 189 G CA 0.660 45.808 45.100 0.080 0.000 0.779 189 G HN 0.648 nan 8.290 nan 0.000 0.543 190 N N -0.563 118.199 118.700 0.103 0.000 2.992 190 N HA 0.243 4.988 4.740 0.008 0.000 0.338 190 N C -1.007 174.546 175.510 0.072 0.000 1.376 190 N CA -0.454 52.642 53.050 0.075 0.000 0.778 190 N CB 0.898 39.423 38.487 0.065 0.000 1.232 190 N HN -0.065 nan 8.380 nan 0.000 0.581 191 D N -0.357 120.070 120.400 0.045 0.000 2.720 191 D HA 0.302 4.947 4.640 0.008 0.000 0.285 191 D C 0.422 176.733 176.300 0.019 0.000 1.359 191 D CA 0.061 54.075 54.000 0.023 0.000 0.818 191 D CB 0.495 41.303 40.800 0.015 0.000 1.108 191 D HN 0.334 nan 8.370 nan 0.000 0.474 192 L N -0.602 120.644 121.223 0.038 0.000 2.966 192 L HA 0.294 4.639 4.340 0.008 0.000 0.262 192 L C 1.127 178.024 176.870 0.045 0.000 1.165 192 L CA -0.048 54.797 54.840 0.009 0.000 0.978 192 L CB 0.716 42.775 42.059 0.000 0.000 1.337 192 L HN 0.104 nan 8.230 nan 0.000 0.563 193 G N 0.953 109.840 108.800 0.145 0.000 2.298 193 G HA2 -0.294 3.671 3.960 0.008 0.000 0.287 193 G HA3 -0.294 3.671 3.960 0.008 0.000 0.287 193 G C 0.488 175.557 174.900 0.281 0.000 1.075 193 G CA 0.764 46.044 45.100 0.301 0.000 0.960 193 G HN 0.257 nan 8.290 nan 0.000 0.502 194 T N -1.364 113.318 114.554 0.213 0.000 3.262 194 T HA 0.324 4.678 4.350 0.008 0.000 0.300 194 T C -0.332 174.455 174.700 0.146 0.000 0.959 194 T CA 0.639 62.841 62.100 0.170 0.000 0.936 194 T CB 0.169 69.105 68.868 0.115 0.000 1.169 194 T HN 0.415 nan 8.240 nan 0.000 0.532 195 D N 1.459 121.961 120.400 0.171 0.000 2.375 195 D HA 0.274 4.919 4.640 0.008 0.000 0.241 195 D C -1.471 174.892 176.300 0.106 0.000 1.361 195 D CA -0.294 53.778 54.000 0.119 0.000 0.995 195 D CB 1.154 42.011 40.800 0.093 0.000 1.312 195 D HN 0.397 nan 8.370 nan 0.000 0.576 196 I N 3.314 123.916 120.570 0.053 0.000 2.447 196 I HA 0.455 4.629 4.170 0.008 0.000 0.287 196 I C -1.215 174.874 176.117 -0.046 0.000 1.023 196 I CA -0.589 60.666 61.300 -0.076 0.000 1.083 196 I CB 0.873 38.857 38.000 -0.028 0.000 1.245 196 I HN 0.171 nan 8.210 nan 0.000 0.434 197 R N 5.681 126.121 120.500 -0.099 0.000 2.561 197 R HA 0.343 4.687 4.340 0.008 0.000 0.297 197 R C -0.946 175.304 176.300 -0.083 0.000 0.969 197 R CA -0.794 55.272 56.100 -0.056 0.000 0.879 197 R CB 2.173 32.440 30.300 -0.055 0.000 1.178 197 R HN 0.550 nan 8.270 nan 0.000 0.445 198 E N 4.771 124.917 120.200 -0.090 0.000 2.129 198 E HA 0.150 4.504 4.350 0.008 0.000 0.283 198 E C -0.427 176.052 176.600 -0.201 0.000 1.080 198 E CA -0.338 55.914 56.400 -0.246 0.000 0.867 198 E CB 0.471 30.054 29.700 -0.196 0.000 1.056 198 E HN 0.465 nan 8.360 nan 0.000 0.404 199 I N 2.025 122.455 120.570 -0.233 0.000 2.648 199 I HA 0.636 4.810 4.170 0.008 0.000 0.304 199 I C -2.376 173.657 176.117 -0.139 0.000 1.009 199 I CA -2.938 58.276 61.300 -0.143 0.000 1.114 199 I CB 1.702 39.644 38.000 -0.098 0.000 1.293 199 I HN 0.292 nan 8.210 nan 0.000 0.449 200 P HA 0.233 nan 4.420 nan 0.000 0.272 200 P C -0.377 176.903 177.300 -0.035 0.000 1.223 200 P CA 0.008 63.073 63.100 -0.058 0.000 0.784 200 P CB 0.786 32.466 31.700 -0.033 0.000 0.923 201 I N 3.600 124.161 120.570 -0.016 0.000 2.587 201 I HA 0.032 4.207 4.170 0.008 0.000 0.284 201 I C -1.613 174.545 176.117 0.068 0.000 1.134 201 I CA -1.468 59.847 61.300 0.025 0.000 1.410 201 I CB -0.714 37.313 38.000 0.045 0.000 1.392 201 I HN 0.205 nan 8.210 nan 0.000 0.545 202 P HA -0.062 nan 4.420 nan 0.000 0.265 202 P C 0.442 177.836 177.300 0.158 0.000 1.187 202 P CA -0.054 63.139 63.100 0.156 0.000 0.766 202 P CB 0.507 32.374 31.700 0.279 0.000 0.820 203 E N 2.222 122.478 120.200 0.092 0.000 2.118 203 E HA -0.274 4.080 4.350 0.008 0.000 0.195 203 E C 1.482 178.102 176.600 0.034 0.000 0.992 203 E CA 1.569 58.003 56.400 0.057 0.000 0.804 203 E CB -0.794 28.924 29.700 0.030 0.000 0.741 203 E HN 0.584 nan 8.360 nan 0.000 0.458 204 E N -1.130 119.070 120.200 0.001 0.000 2.515 204 E HA -0.154 4.201 4.350 0.008 0.000 0.201 204 E C 0.226 176.625 176.600 -0.335 0.000 1.071 204 E CA 0.686 56.983 56.400 -0.172 0.000 0.880 204 E CB 0.076 29.629 29.700 -0.245 0.000 0.828 204 E HN 0.514 nan 8.360 nan 0.000 0.540 205 Y N -1.888 118.448 120.300 0.060 0.000 2.540 205 Y HA 0.070 4.625 4.550 0.008 0.000 0.257 205 Y C 1.246 177.195 175.900 0.082 0.000 1.090 205 Y CA -0.333 57.816 58.100 0.080 0.000 1.242 205 Y CB 0.348 38.860 38.460 0.087 0.000 1.325 205 Y HN 0.030 nan 8.280 nan 0.000 0.544 206 L N 0.562 121.894 121.223 0.182 0.000 2.131 206 L HA -0.140 4.205 4.340 0.008 0.000 0.210 206 L C 1.383 178.321 176.870 0.113 0.000 1.092 206 L CA 2.020 56.937 54.840 0.128 0.000 0.759 206 L CB -0.359 41.749 42.059 0.081 0.000 0.903 206 L HN 0.042 nan 8.230 nan 0.000 0.435 207 D N -1.004 119.454 120.400 0.098 0.000 2.103 207 D HA -0.197 4.447 4.640 0.008 0.000 0.199 207 D C 2.071 178.444 176.300 0.123 0.000 0.978 207 D CA 1.196 55.246 54.000 0.083 0.000 0.829 207 D CB -0.076 40.752 40.800 0.047 0.000 0.981 207 D HN 0.492 nan 8.370 nan 0.000 0.464 208 Q N 0.214 120.115 119.800 0.169 0.000 2.096 208 Q HA -0.155 4.189 4.340 0.008 0.000 0.204 208 Q C 1.973 178.194 176.000 0.369 0.000 0.982 208 Q CA 1.590 57.555 55.803 0.271 0.000 0.850 208 Q CB -0.036 28.885 28.738 0.305 0.000 0.901 208 Q HN 0.207 nan 8.270 nan 0.000 0.422 209 A N 0.882 123.877 122.820 0.291 0.000 1.877 209 A HA -0.204 4.120 4.320 0.008 0.000 0.216 209 A C 2.087 179.826 177.584 0.259 0.000 1.186 209 A CA 1.513 53.713 52.037 0.272 0.000 0.620 209 A CB -0.594 18.522 19.000 0.193 0.000 0.822 209 A HN 0.363 nan 8.150 nan 0.000 0.443 210 R N -0.489 120.122 120.500 0.185 0.000 2.096 210 R HA -0.164 4.181 4.340 0.008 0.000 0.235 210 R C 2.270 178.668 176.300 0.164 0.000 1.127 210 R CA 1.612 57.807 56.100 0.158 0.000 0.968 210 R CB -0.236 30.122 30.300 0.096 0.000 0.861 210 R HN 0.777 nan 8.270 nan 0.000 0.440 211 E N -0.576 119.694 120.200 0.117 0.000 2.038 211 E HA -0.239 4.115 4.350 0.008 0.000 0.195 211 E C 1.503 178.066 176.600 -0.062 0.000 1.000 211 E CA 1.540 57.931 56.400 -0.016 0.000 0.803 211 E CB -0.134 29.495 29.700 -0.117 0.000 0.750 211 E HN 0.427 nan 8.360 nan 0.000 0.448 212 Y N -0.903 119.471 120.300 0.123 0.000 2.373 212 Y HA -0.113 4.441 4.550 0.008 0.000 0.293 212 Y C 2.298 178.273 175.900 0.123 0.000 1.129 212 Y CA 1.488 59.661 58.100 0.121 0.000 1.226 212 Y CB -0.334 38.217 38.460 0.153 0.000 1.000 212 Y HN 0.330 nan 8.280 nan 0.000 0.549 213 H N 0.245 119.431 119.070 0.194 0.000 2.326 213 H HA -0.155 4.406 4.556 0.008 0.000 0.301 213 H C 2.206 177.600 175.328 0.111 0.000 1.081 213 H CA 1.999 58.131 56.048 0.141 0.000 1.334 213 H CB 0.044 29.883 29.762 0.127 0.000 1.385 213 H HN 0.279 nan 8.280 nan 0.000 0.504 214 E N 0.776 121.044 120.200 0.113 0.000 2.085 214 E HA -0.215 4.140 4.350 0.008 0.000 0.194 214 E C 2.248 178.863 176.600 0.024 0.000 0.994 214 E CA 1.722 58.173 56.400 0.085 0.000 0.801 214 E CB -0.204 29.572 29.700 0.127 0.000 0.743 214 E HN 0.473 nan 8.360 nan 0.000 0.453 215 K N -0.249 120.148 120.400 -0.005 0.000 2.063 215 K HA -0.123 4.202 4.320 0.008 0.000 0.208 215 K C 2.263 178.832 176.600 -0.051 0.000 1.048 215 K CA 1.376 57.642 56.287 -0.034 0.000 0.928 215 K CB -0.313 32.152 32.500 -0.058 0.000 0.713 215 K HN 0.299 nan 8.250 nan 0.000 0.442 216 L N 0.321 121.517 121.223 -0.045 0.000 2.046 216 L HA -0.170 4.174 4.340 0.008 0.000 0.208 216 L C 1.866 178.655 176.870 -0.136 0.000 1.077 216 L CA 1.087 55.886 54.840 -0.068 0.000 0.747 216 L CB -0.084 41.946 42.059 -0.049 0.000 0.896 216 L HN -0.015 nan 8.230 nan 0.000 0.432 217 V N -0.178 119.606 119.914 -0.216 0.000 2.343 217 V HA -0.312 3.812 4.120 0.008 0.000 0.247 217 V C 2.471 178.298 176.094 -0.445 0.000 1.051 217 V CA 2.139 64.288 62.300 -0.252 0.000 1.036 217 V CB -0.778 30.947 31.823 -0.163 0.000 0.654 217 V HN 0.561 nan 8.190 nan 0.000 0.451 218 E N 0.206 120.066 120.200 -0.567 0.000 2.097 218 E HA -0.215 4.140 4.350 0.008 0.000 0.196 218 E C 2.141 178.532 176.600 -0.350 0.000 1.000 218 E CA 1.829 57.815 56.400 -0.691 0.000 0.804 218 E CB -0.033 29.464 29.700 -0.339 0.000 0.740 218 E HN 0.485 nan 8.360 nan 0.000 0.454 219 V N 0.900 120.706 119.914 -0.181 0.000 2.427 219 V HA -0.217 3.907 4.120 0.008 0.000 0.248 219 V C 2.397 178.512 176.094 0.035 0.000 1.051 219 V CA 1.667 63.938 62.300 -0.049 0.000 1.048 219 V CB -0.697 31.140 31.823 0.023 0.000 0.666 219 V HN 0.394 nan 8.190 nan 0.000 0.456 220 A N 0.152 122.975 122.820 0.006 0.000 1.969 220 A HA -0.006 4.318 4.320 0.008 0.000 0.218 220 A C 2.402 180.007 177.584 0.035 0.000 1.169 220 A CA 1.651 53.750 52.037 0.103 0.000 0.635 220 A CB -0.635 18.392 19.000 0.044 0.000 0.810 220 A HN 0.558 nan 8.150 nan 0.000 0.445 221 A N 0.272 123.012 122.820 -0.134 0.000 2.024 221 A HA -0.181 4.143 4.320 0.008 0.000 0.220 221 A C 1.536 179.017 177.584 -0.172 0.000 1.164 221 A CA 1.734 53.680 52.037 -0.153 0.000 0.643 221 A CB -0.481 18.355 19.000 -0.274 0.000 0.806 221 A HN 0.467 nan 8.150 nan 0.000 0.451 222 D N -1.314 118.896 120.400 -0.316 0.000 2.350 222 D HA -0.038 4.607 4.640 0.008 0.000 0.216 222 D C 0.560 176.418 176.300 -0.737 0.000 0.968 222 D CA 0.942 54.586 54.000 -0.593 0.000 0.894 222 D CB -0.158 40.103 40.800 -0.898 0.000 0.909 222 D HN 0.593 nan 8.370 nan 0.000 0.520 223 F N -0.376 119.566 119.950 -0.012 0.000 2.746 223 F HA 0.239 4.771 4.527 0.008 0.000 0.320 223 F C 0.291 176.099 175.800 0.012 0.000 1.097 223 F CA -0.591 57.412 58.000 0.005 0.000 1.195 223 F CB 0.912 39.919 39.000 0.013 0.000 1.056 223 F HN -0.322 nan 8.300 nan 0.000 0.562 224 D N 0.079 120.551 120.400 0.118 0.000 2.855 224 D HA 0.165 4.810 4.640 0.008 0.000 0.241 224 D C 0.871 177.198 176.300 0.045 0.000 1.277 224 D CA -0.044 54.008 54.000 0.086 0.000 0.918 224 D CB 1.487 42.343 40.800 0.094 0.000 1.462 224 D HN -0.129 nan 8.370 nan 0.000 0.559 225 E N 2.215 122.439 120.200 0.040 0.000 2.118 225 E HA -0.153 4.202 4.350 0.008 0.000 0.195 225 E C 0.949 177.573 176.600 0.040 0.000 0.992 225 E CA 1.016 57.435 56.400 0.031 0.000 0.804 225 E CB 0.171 29.888 29.700 0.029 0.000 0.741 225 E HN 0.589 nan 8.360 nan 0.000 0.458 226 N N 0.292 119.020 118.700 0.046 0.000 2.120 226 N HA -0.117 4.627 4.740 0.008 0.000 0.188 226 N C 2.065 177.610 175.510 0.059 0.000 1.024 226 N CA 0.898 53.978 53.050 0.050 0.000 0.852 226 N CB -0.074 38.443 38.487 0.050 0.000 1.003 226 N HN 0.112 nan 8.380 nan 0.000 0.424 227 I N 0.219 120.825 120.570 0.060 0.000 2.252 227 I HA -0.232 3.942 4.170 0.008 0.000 0.245 227 I C 2.367 178.534 176.117 0.083 0.000 1.102 227 I CA 0.707 62.047 61.300 0.066 0.000 1.385 227 I CB -0.114 37.914 38.000 0.048 0.000 1.064 227 I HN 0.199 nan 8.210 nan 0.000 0.414 228 M N 1.172 120.808 119.600 0.060 0.000 2.082 228 M HA -0.246 4.239 4.480 0.008 0.000 0.258 228 M C 2.083 178.453 176.300 0.117 0.000 1.071 228 M CA 2.070 57.420 55.300 0.083 0.000 1.103 228 M CB -0.649 31.974 32.600 0.039 0.000 1.307 228 M HN 0.095 nan 8.290 nan 0.000 0.409 229 L N -0.804 120.465 121.223 0.077 0.000 2.353 229 L HA -0.192 4.152 4.340 0.008 0.000 0.220 229 L C 2.184 179.093 176.870 0.065 0.000 1.133 229 L CA 1.026 55.902 54.840 0.061 0.000 0.798 229 L CB -0.526 41.559 42.059 0.043 0.000 0.922 229 L HN 0.349 nan 8.230 nan 0.000 0.445 230 K N -1.390 119.064 120.400 0.089 0.000 2.128 230 K HA -0.109 4.215 4.320 0.008 0.000 0.202 230 K C 2.010 178.678 176.600 0.113 0.000 1.050 230 K CA 0.701 57.041 56.287 0.088 0.000 0.966 230 K CB -0.087 32.468 32.500 0.092 0.000 0.759 230 K HN 0.097 nan 8.250 nan 0.000 0.454 231 Y N 1.621 121.929 120.300 0.014 0.000 2.274 231 Y HA -0.181 4.374 4.550 0.008 0.000 0.290 231 Y C 1.647 177.549 175.900 0.004 0.000 1.145 231 Y CA 0.981 59.086 58.100 0.008 0.000 1.203 231 Y CB 0.022 38.481 38.460 -0.000 0.000 0.984 231 Y HN -0.107 nan 8.280 nan 0.000 0.533 232 L N 0.416 121.642 121.223 0.004 0.000 2.027 232 L HA -0.149 4.195 4.340 0.008 0.000 0.206 232 L C 2.365 179.184 176.870 -0.084 0.000 1.074 232 L CA 1.901 56.696 54.840 -0.075 0.000 0.745 232 L CB -1.045 41.016 42.059 0.003 0.000 0.898 232 L HN 0.215 nan 8.230 nan 0.000 0.433 233 E N -1.290 118.891 120.200 -0.031 0.000 2.418 233 E HA -0.001 4.353 4.350 0.008 0.000 0.197 233 E C 1.444 178.024 176.600 -0.033 0.000 1.026 233 E CA 0.641 57.027 56.400 -0.022 0.000 0.862 233 E CB -0.007 29.696 29.700 0.005 0.000 0.799 233 E HN 0.530 nan 8.360 nan 0.000 0.518 234 G N 0.834 109.601 108.800 -0.054 0.000 2.213 234 G HA2 -0.270 3.694 3.960 0.008 0.000 0.236 234 G HA3 -0.270 3.694 3.960 0.008 0.000 0.236 234 G C -0.063 174.839 174.900 0.003 0.000 0.991 234 G CA 0.093 45.163 45.100 -0.050 0.000 0.629 234 G HN 0.313 nan 8.290 nan 0.000 0.517 235 E N 1.166 121.382 120.200 0.026 0.000 2.316 235 E HA 0.399 4.754 4.350 0.008 0.000 0.275 235 E C 0.225 176.875 176.600 0.084 0.000 1.029 235 E CA -0.294 56.136 56.400 0.050 0.000 0.871 235 E CB 0.935 30.662 29.700 0.045 0.000 1.022 235 E HN 0.390 nan 8.360 nan 0.000 0.418 236 E N 4.778 125.036 120.200 0.097 0.000 2.324 236 E HA 0.111 4.466 4.350 0.008 0.000 0.271 236 E C -2.310 174.362 176.600 0.119 0.000 1.028 236 E CA -1.492 54.990 56.400 0.136 0.000 0.890 236 E CB 0.457 30.251 29.700 0.157 0.000 1.004 236 E HN 0.095 nan 8.360 nan 0.000 0.431 237 P HA 0.190 nan 4.420 nan 0.000 0.274 237 P C -0.794 176.569 177.300 0.105 0.000 1.256 237 P CA -0.566 62.596 63.100 0.103 0.000 0.795 237 P CB 0.574 32.331 31.700 0.096 0.000 1.038 238 T N -0.860 113.747 114.554 0.088 0.000 2.828 238 T HA 0.103 4.457 4.350 0.008 0.000 0.290 238 T C 1.206 175.964 174.700 0.096 0.000 1.019 238 T CA -0.513 61.637 62.100 0.085 0.000 1.031 238 T CB 0.555 69.463 68.868 0.067 0.000 1.001 238 T HN 0.359 nan 8.240 nan 0.000 0.531 239 E N 0.811 121.068 120.200 0.095 0.000 2.031 239 E HA -0.191 4.164 4.350 0.008 0.000 0.193 239 E C 2.073 178.726 176.600 0.088 0.000 0.994 239 E CA 1.355 57.817 56.400 0.103 0.000 0.800 239 E CB -0.120 29.637 29.700 0.095 0.000 0.752 239 E HN 0.665 nan 8.360 nan 0.000 0.447 240 E N 1.131 121.372 120.200 0.068 0.000 2.130 240 E HA -0.226 4.128 4.350 0.008 0.000 0.196 240 E C 1.879 178.517 176.600 0.064 0.000 0.998 240 E CA 1.369 57.803 56.400 0.056 0.000 0.806 240 E CB -0.115 29.612 29.700 0.045 0.000 0.738 240 E HN 0.323 nan 8.360 nan 0.000 0.459 241 E N 0.200 120.443 120.200 0.071 0.000 2.028 241 E HA -0.143 4.211 4.350 0.008 0.000 0.191 241 E C 2.175 178.828 176.600 0.088 0.000 0.988 241 E CA 0.977 57.422 56.400 0.075 0.000 0.799 241 E CB -0.159 29.585 29.700 0.073 0.000 0.755 241 E HN 0.217 nan 8.360 nan 0.000 0.447 242 L N 0.550 121.832 121.223 0.099 0.000 1.994 242 L HA -0.180 4.164 4.340 0.008 0.000 0.208 242 L C 2.571 179.532 176.870 0.152 0.000 1.071 242 L CA 0.727 55.634 54.840 0.113 0.000 0.745 242 L CB -0.611 41.515 42.059 0.112 0.000 0.892 242 L HN 0.031 nan 8.230 nan 0.000 0.431 243 V N 0.445 120.456 119.914 0.161 0.000 2.278 243 V HA -0.378 3.746 4.120 0.008 0.000 0.251 243 V C 2.796 178.974 176.094 0.139 0.000 1.062 243 V CA 2.077 64.485 62.300 0.179 0.000 1.038 243 V CB -0.988 30.870 31.823 0.059 0.000 0.646 243 V HN 0.527 nan 8.190 nan 0.000 0.447 244 A N -0.507 122.368 122.820 0.092 0.000 1.902 244 A HA -0.075 4.250 4.320 0.008 0.000 0.217 244 A C 2.366 179.999 177.584 0.081 0.000 1.181 244 A CA 2.151 54.231 52.037 0.072 0.000 0.623 244 A CB -0.653 18.383 19.000 0.060 0.000 0.818 244 A HN 0.595 nan 8.150 nan 0.000 0.443 245 A N -0.341 122.538 122.820 0.099 0.000 1.898 245 A HA 0.086 4.410 4.320 0.008 0.000 0.214 245 A C 1.950 179.559 177.584 0.041 0.000 1.183 245 A CA 1.260 53.357 52.037 0.099 0.000 0.622 245 A CB -0.380 18.710 19.000 0.149 0.000 0.824 245 A HN 0.366 nan 8.150 nan 0.000 0.444 246 I N 0.056 120.685 120.570 0.098 0.000 2.454 246 I HA -0.181 3.994 4.170 0.008 0.000 0.254 246 I C 2.494 178.662 176.117 0.086 0.000 1.156 246 I CA 1.593 62.929 61.300 0.060 0.000 1.433 246 I CB -1.001 37.060 38.000 0.101 0.000 1.082 246 I HN 0.483 nan 8.210 nan 0.000 0.432 247 R N 1.466 122.095 120.500 0.215 0.000 2.090 247 R HA -0.168 4.176 4.340 0.008 0.000 0.228 247 R C 2.293 178.605 176.300 0.019 0.000 1.110 247 R CA 1.279 57.498 56.100 0.198 0.000 0.973 247 R CB -0.085 30.303 30.300 0.148 0.000 0.869 247 R HN 0.185 nan 8.270 nan 0.000 0.440 248 K N -0.318 120.052 120.400 -0.049 0.000 2.057 248 K HA -0.081 4.243 4.320 0.008 0.000 0.207 248 K C 1.884 178.299 176.600 -0.309 0.000 1.049 248 K CA 1.629 57.845 56.287 -0.118 0.000 0.931 248 K CB -0.345 32.115 32.500 -0.067 0.000 0.714 248 K HN 0.355 nan 8.250 nan 0.000 0.440 249 G N -0.437 107.997 108.800 -0.610 0.000 2.443 249 G HA2 -0.172 3.792 3.960 0.008 0.000 0.219 249 G HA3 -0.172 3.792 3.960 0.008 0.000 0.219 249 G C 1.281 175.951 174.900 -0.384 0.000 1.131 249 G CA 1.151 45.659 45.100 -0.987 0.000 0.775 249 G HN 0.320 nan 8.290 nan 0.000 0.547 250 T N 1.047 115.487 114.554 -0.190 0.000 2.852 250 T HA 0.076 4.431 4.350 0.008 0.000 0.256 250 T C 2.369 177.052 174.700 -0.027 0.000 1.038 250 T CA 0.454 62.522 62.100 -0.053 0.000 1.141 250 T CB -0.062 68.827 68.868 0.036 0.000 0.869 250 T HN 0.227 nan 8.240 nan 0.000 0.439 251 I N 1.497 122.049 120.570 -0.030 0.000 2.493 251 I HA -0.104 4.070 4.170 0.008 0.000 0.254 251 I C 1.284 177.389 176.117 -0.020 0.000 1.160 251 I CA 1.003 62.297 61.300 -0.011 0.000 1.445 251 I CB -0.241 37.759 38.000 -0.000 0.000 1.086 251 I HN 0.107 nan 8.210 nan 0.000 0.433 252 D N 1.116 121.487 120.400 -0.048 0.000 2.319 252 D HA 0.099 4.744 4.640 0.008 0.000 0.230 252 D C 0.877 177.174 176.300 -0.005 0.000 1.094 252 D CA 0.157 54.142 54.000 -0.023 0.000 0.856 252 D CB 0.429 41.216 40.800 -0.022 0.000 0.915 252 D HN 0.040 nan 8.370 nan 0.000 0.517 253 L N -0.182 121.034 121.223 -0.010 0.000 4.040 253 L HA -0.274 4.071 4.340 0.008 0.000 0.410 253 L C 1.310 178.210 176.870 0.050 0.000 1.187 253 L CA 0.861 55.707 54.840 0.011 0.000 0.956 253 L CB -1.835 40.223 42.059 -0.003 0.000 2.022 253 L HN 0.200 nan 8.230 nan 0.000 0.897 254 K N 0.041 120.468 120.400 0.045 0.000 2.287 254 K HA 0.377 4.702 4.320 0.008 0.000 0.199 254 K C 0.987 177.670 176.600 0.137 0.000 1.061 254 K CA 0.872 57.232 56.287 0.123 0.000 0.976 254 K CB 1.022 33.661 32.500 0.231 0.000 0.898 254 K HN 0.654 nan 8.250 nan 0.000 0.492 255 I N -1.460 119.149 120.570 0.065 0.000 3.002 255 I HA 0.443 4.618 4.170 0.008 0.000 0.310 255 I C -1.121 175.037 176.117 0.068 0.000 1.087 255 I CA -0.843 60.501 61.300 0.073 0.000 1.017 255 I CB 2.535 40.566 38.000 0.050 0.000 1.226 255 I HN -0.267 nan 8.210 nan 0.000 0.443 256 T N 2.684 117.280 114.554 0.069 0.000 2.930 256 T HA 0.430 4.785 4.350 0.008 0.000 0.313 256 T C -2.720 171.969 174.700 -0.017 0.000 1.019 256 T CA -1.116 61.037 62.100 0.089 0.000 1.004 256 T CB 1.117 70.104 68.868 0.199 0.000 0.987 256 T HN 0.416 nan 8.240 nan 0.000 0.456 257 P HA 0.244 nan 4.420 nan 0.000 0.268 257 P C -0.716 176.420 177.300 -0.273 0.000 1.204 257 P CA -0.367 62.568 63.100 -0.275 0.000 0.768 257 P CB 0.522 32.015 31.700 -0.345 0.000 0.842 258 V N 4.015 123.633 119.914 -0.493 0.000 2.495 258 V HA 0.525 4.649 4.120 0.008 0.000 0.298 258 V C -0.282 175.458 176.094 -0.591 0.000 1.031 258 V CA -0.379 61.709 62.300 -0.352 0.000 0.871 258 V CB 0.790 32.454 31.823 -0.264 0.000 0.988 258 V HN 0.340 nan 8.190 nan 0.000 0.432 259 F N 4.554 124.542 119.950 0.063 0.000 2.577 259 F HA 0.816 5.348 4.527 0.008 0.000 0.318 259 F C -0.104 175.747 175.800 0.086 0.000 1.065 259 F CA -0.933 57.144 58.000 0.129 0.000 0.929 259 F CB 2.026 41.172 39.000 0.243 0.000 1.237 259 F HN 0.403 nan 8.300 nan 0.000 0.468 260 L N 0.061 121.404 121.223 0.200 0.000 2.277 260 L HA 1.122 5.467 4.340 0.008 0.000 0.254 260 L C -0.394 176.488 176.870 0.019 0.000 1.044 260 L CA -0.686 54.064 54.840 -0.150 0.000 0.842 260 L CB 1.506 43.400 42.059 -0.275 0.000 1.422 260 L HN 0.831 nan 8.230 nan 0.000 0.422 261 G N 0.028 108.699 108.800 -0.215 0.000 2.356 261 G HA2 0.234 4.199 3.960 0.008 0.000 0.288 261 G HA3 0.234 4.199 3.960 0.008 0.000 0.288 261 G C -1.731 173.164 174.900 -0.008 0.000 1.302 261 G CA -0.004 45.147 45.100 0.086 0.000 0.887 261 G HN 0.913 nan 8.290 nan 0.000 0.521 262 S N -0.424 115.386 115.700 0.185 0.000 2.474 262 S HA 0.641 5.115 4.470 0.008 0.000 0.321 262 S C 1.254 175.924 174.600 0.118 0.000 1.080 262 S CA 0.780 59.044 58.200 0.106 0.000 1.106 262 S CB 1.041 64.327 63.200 0.143 0.000 0.984 262 S HN 1.955 nan 8.310 nan 0.000 0.464 263 A N 5.501 128.406 122.820 0.142 0.000 1.897 263 A HA 0.086 4.411 4.320 0.008 0.000 0.215 263 A C 1.949 179.579 177.584 0.077 0.000 1.181 263 A CA 0.841 52.960 52.037 0.137 0.000 0.620 263 A CB -0.725 18.373 19.000 0.163 0.000 0.821 263 A HN 0.829 nan 8.150 nan 0.000 0.443 264 L N -0.541 120.714 121.223 0.053 0.000 1.994 264 L HA -0.128 4.217 4.340 0.008 0.000 0.208 264 L C 1.299 178.181 176.870 0.020 0.000 1.071 264 L CA 1.397 56.252 54.840 0.026 0.000 0.745 264 L CB -0.183 41.886 42.059 0.018 0.000 0.892 264 L HN 0.232 nan 8.230 nan 0.000 0.431 265 K N 0.721 121.138 120.400 0.028 0.000 2.551 265 K HA 0.059 4.383 4.320 0.008 0.000 0.204 265 K C -0.204 176.388 176.600 -0.013 0.000 1.033 265 K CA -0.098 56.198 56.287 0.014 0.000 1.187 265 K CB -0.642 31.878 32.500 0.033 0.000 0.900 265 K HN 0.388 nan 8.250 nan 0.000 0.499 266 N N 2.359 121.068 118.700 0.016 0.000 2.678 266 N HA -0.205 4.539 4.740 0.008 0.000 0.268 266 N C -0.991 174.432 175.510 -0.146 0.000 1.010 266 N CA 1.045 54.123 53.050 0.048 0.000 0.784 266 N CB -0.530 38.033 38.487 0.127 0.000 0.905 266 N HN 0.328 nan 8.380 nan 0.000 0.552 267 K N 0.175 120.430 120.400 -0.242 0.000 2.545 267 K HA 0.371 4.696 4.320 0.008 0.000 0.252 267 K C 0.766 177.200 176.600 -0.277 0.000 0.948 267 K CA 0.066 55.948 56.287 -0.675 0.000 0.827 267 K CB 1.758 33.875 32.500 -0.639 0.000 1.128 267 K HN 0.335 nan 8.250 nan 0.000 0.429 268 G N 1.055 109.704 108.800 -0.253 0.000 2.141 268 G HA2 -0.250 3.715 3.960 0.008 0.000 0.242 268 G HA3 -0.250 3.715 3.960 0.008 0.000 0.242 268 G C 0.615 175.467 174.900 -0.079 0.000 0.982 268 G CA 0.305 45.419 45.100 0.024 0.000 0.662 268 G HN 0.400 nan 8.290 nan 0.000 0.527 269 V N 0.087 119.858 119.914 -0.239 0.000 2.591 269 V HA -0.121 4.004 4.120 0.008 0.000 0.249 269 V C 2.707 178.434 176.094 -0.612 0.000 1.053 269 V CA 2.540 64.589 62.300 -0.418 0.000 1.068 269 V CB -0.438 31.173 31.823 -0.354 0.000 0.689 269 V HN 0.551 nan 8.190 nan 0.000 0.462 270 Q N 0.014 119.415 119.800 -0.666 0.000 2.124 270 Q HA -0.132 4.212 4.340 0.008 0.000 0.202 270 Q C 2.273 178.057 176.000 -0.359 0.000 0.977 270 Q CA 1.502 56.958 55.803 -0.578 0.000 0.850 270 Q CB -0.251 28.320 28.738 -0.279 0.000 0.901 270 Q HN 0.541 nan 8.270 nan 0.000 0.429 271 L N -0.059 120.998 121.223 -0.277 0.000 2.141 271 L HA -0.169 4.175 4.340 0.008 0.000 0.209 271 L C 2.239 178.920 176.870 -0.315 0.000 1.094 271 L CA 0.316 55.032 54.840 -0.207 0.000 0.763 271 L CB -0.309 41.675 42.059 -0.125 0.000 0.908 271 L HN 0.236 nan 8.230 nan 0.000 0.437 272 L N -0.570 120.403 121.223 -0.416 0.000 2.046 272 L HA -0.213 4.131 4.340 0.008 0.000 0.208 272 L C 2.280 178.804 176.870 -0.576 0.000 1.077 272 L CA 1.679 56.160 54.840 -0.598 0.000 0.747 272 L CB -0.431 41.192 42.059 -0.727 0.000 0.896 272 L HN 0.091 nan 8.230 nan 0.000 0.432 273 L N -0.623 120.225 121.223 -0.624 0.000 2.046 273 L HA -0.218 4.127 4.340 0.008 0.000 0.208 273 L C 2.246 178.857 176.870 -0.432 0.000 1.077 273 L CA 1.639 56.030 54.840 -0.748 0.000 0.747 273 L CB -1.544 39.576 42.059 -1.565 0.000 0.896 273 L HN 0.315 nan 8.230 nan 0.000 0.432 274 D N -0.460 119.812 120.400 -0.214 0.000 2.117 274 D HA -0.120 4.525 4.640 0.008 0.000 0.197 274 D C 2.230 178.439 176.300 -0.151 0.000 0.987 274 D CA 1.354 55.346 54.000 -0.013 0.000 0.829 274 D CB 0.081 40.906 40.800 0.041 0.000 0.961 274 D HN 0.282 nan 8.370 nan 0.000 0.460 275 A N 0.134 122.786 122.820 -0.280 0.000 1.933 275 A HA -0.144 4.181 4.320 0.008 0.000 0.218 275 A C 2.424 179.917 177.584 -0.152 0.000 1.175 275 A CA 1.130 53.007 52.037 -0.267 0.000 0.628 275 A CB -0.718 17.660 19.000 -1.037 0.000 0.814 275 A HN 0.152 nan 8.150 nan 0.000 0.444 276 V N 0.189 119.970 119.914 -0.222 0.000 2.295 276 V HA -0.249 3.876 4.120 0.008 0.000 0.246 276 V C 2.736 178.762 176.094 -0.114 0.000 1.049 276 V CA 2.123 64.335 62.300 -0.145 0.000 1.024 276 V CB -0.785 30.928 31.823 -0.184 0.000 0.648 276 V HN 0.642 nan 8.190 nan 0.000 0.447 277 V N -1.940 117.880 119.914 -0.156 0.000 2.970 277 V HA -0.119 4.006 4.120 0.008 0.000 0.260 277 V C 1.865 177.813 176.094 -0.244 0.000 1.100 277 V CA 2.068 64.228 62.300 -0.234 0.000 1.122 277 V CB -0.545 30.995 31.823 -0.471 0.000 0.721 277 V HN 0.444 nan 8.190 nan 0.000 0.483 278 D N -0.001 120.216 120.400 -0.305 0.000 2.154 278 D HA 0.025 4.669 4.640 0.008 0.000 0.211 278 D C 1.910 177.925 176.300 -0.474 0.000 0.977 278 D CA 2.046 55.729 54.000 -0.527 0.000 0.869 278 D CB -0.220 40.005 40.800 -0.959 0.000 1.022 278 D HN 0.642 nan 8.370 nan 0.000 0.461 279 Y N -0.305 120.012 120.300 0.028 0.000 2.524 279 Y HA 0.254 4.809 4.550 0.008 0.000 0.270 279 Y C 0.598 176.515 175.900 0.028 0.000 1.094 279 Y CA -0.528 57.600 58.100 0.047 0.000 1.276 279 Y CB 0.040 38.563 38.460 0.105 0.000 1.130 279 Y HN -0.132 nan 8.280 nan 0.000 0.536 280 L N 4.034 125.335 121.223 0.131 0.000 2.426 280 L HA 0.224 4.569 4.340 0.008 0.000 0.271 280 L C -2.145 174.753 176.870 0.047 0.000 1.169 280 L CA -2.484 52.402 54.840 0.077 0.000 0.836 280 L CB -0.002 42.082 42.059 0.041 0.000 1.112 280 L HN -0.080 nan 8.230 nan 0.000 0.465 281 P HA 0.122 nan 4.420 nan 0.000 0.275 281 P C -0.725 176.590 177.300 0.026 0.000 1.228 281 P CA -0.419 62.699 63.100 0.030 0.000 0.786 281 P CB 1.015 32.730 31.700 0.024 0.000 0.927 282 S N 2.592 118.309 115.700 0.027 0.000 2.707 282 S HA 0.411 4.885 4.470 0.008 0.000 0.276 282 S C -1.786 172.825 174.600 0.018 0.000 1.179 282 S CA -1.370 56.843 58.200 0.021 0.000 0.992 282 S CB 0.439 63.650 63.200 0.018 0.000 1.030 282 S HN 0.199 nan 8.310 nan 0.000 0.554 283 P HA 0.062 nan 4.420 nan 0.000 0.230 283 P C 1.175 178.497 177.300 0.037 0.000 1.158 283 P CA 0.280 63.396 63.100 0.026 0.000 0.769 283 P CB 0.006 31.725 31.700 0.032 0.000 0.807 284 L N -0.443 120.799 121.223 0.031 0.000 2.313 284 L HA -0.029 4.316 4.340 0.008 0.000 0.214 284 L C 0.989 177.879 176.870 0.034 0.000 1.119 284 L CA 1.839 56.701 54.840 0.037 0.000 0.809 284 L CB -0.800 41.274 42.059 0.026 0.000 0.933 284 L HN -0.176 nan 8.230 nan 0.000 0.449 285 D N -0.756 119.660 120.400 0.027 0.000 2.348 285 D HA 0.123 4.768 4.640 0.008 0.000 0.211 285 D C 0.631 176.944 176.300 0.021 0.000 0.998 285 D CA 0.533 54.548 54.000 0.025 0.000 0.873 285 D CB 0.119 40.933 40.800 0.023 0.000 0.925 285 D HN 0.426 nan 8.370 nan 0.000 0.524 286 I N -1.978 118.605 120.570 0.021 0.000 2.793 286 I HA 0.480 4.655 4.170 0.008 0.000 0.313 286 I C -2.217 173.904 176.117 0.006 0.000 0.998 286 I CA -2.573 58.736 61.300 0.015 0.000 1.140 286 I CB 0.494 38.505 38.000 0.018 0.000 1.327 286 I HN -0.316 nan 8.210 nan 0.000 0.491 287 P HA 0.198 nan 4.420 nan 0.000 0.267 287 P C -2.487 174.790 177.300 -0.039 0.000 1.205 287 P CA -0.745 62.342 63.100 -0.022 0.000 0.765 287 P CB -0.365 31.325 31.700 -0.017 0.000 0.828 288 P HA 0.093 nan 4.420 nan 0.000 0.268 288 P C 0.210 177.444 177.300 -0.111 0.000 1.204 288 P CA -0.289 62.732 63.100 -0.130 0.000 0.768 288 P CB 0.482 31.985 31.700 -0.328 0.000 0.842 289 I N 2.873 123.381 120.570 -0.104 0.000 2.752 289 I HA -0.060 4.114 4.170 0.008 0.000 0.289 289 I C 0.462 176.472 176.117 -0.178 0.000 1.197 289 I CA 0.381 61.572 61.300 -0.182 0.000 1.432 289 I CB -0.048 37.691 38.000 -0.436 0.000 1.359 289 I HN 0.217 nan 8.210 nan 0.000 0.571 290 K N 5.866 126.181 120.400 -0.142 0.000 2.211 290 K HA 0.621 4.946 4.320 0.008 0.000 0.275 290 K C 0.038 176.571 176.600 -0.112 0.000 1.024 290 K CA -0.465 55.758 56.287 -0.106 0.000 0.887 290 K CB 1.292 33.751 32.500 -0.069 0.000 1.084 290 K HN 0.832 nan 8.250 nan 0.000 0.463 291 G N 0.877 109.623 108.800 -0.090 0.000 2.685 291 G HA2 0.506 4.471 3.960 0.008 0.000 0.298 291 G HA3 0.506 4.471 3.960 0.008 0.000 0.298 291 G C -1.025 173.852 174.900 -0.038 0.000 1.277 291 G CA -0.498 44.559 45.100 -0.073 0.000 0.986 291 G HN 0.421 nan 8.290 nan 0.000 0.487 292 T N 0.361 114.900 114.554 -0.025 0.000 2.824 292 T HA 0.566 4.920 4.350 0.008 0.000 0.282 292 T C 0.742 175.444 174.700 0.003 0.000 0.993 292 T CA -0.372 61.722 62.100 -0.010 0.000 0.967 292 T CB 1.429 70.291 68.868 -0.011 0.000 0.960 292 T HN 0.884 nan 8.240 nan 0.000 0.441 293 T N 0.462 115.021 114.554 0.008 0.000 2.698 293 T HA 0.254 4.609 4.350 0.008 0.000 0.295 293 T C -1.763 172.950 174.700 0.020 0.000 1.007 293 T CA -1.361 60.749 62.100 0.017 0.000 0.980 293 T CB -0.009 68.868 68.868 0.015 0.000 1.036 293 T HN 0.237 nan 8.240 nan 0.000 0.526 294 P HA 0.163 nan 4.420 nan 0.000 0.241 294 P C 0.641 177.953 177.300 0.020 0.000 1.191 294 P CA 0.502 63.620 63.100 0.029 0.000 0.771 294 P CB 0.022 31.744 31.700 0.037 0.000 0.929 295 E N -1.353 118.856 120.200 0.015 0.000 2.476 295 E HA 0.260 4.615 4.350 0.008 0.000 0.199 295 E C 1.192 177.796 176.600 0.008 0.000 1.021 295 E CA 0.451 56.857 56.400 0.011 0.000 0.907 295 E CB -0.035 29.670 29.700 0.009 0.000 0.974 295 E HN 0.155 nan 8.360 nan 0.000 0.489 296 G N 2.300 111.104 108.800 0.007 0.000 2.176 296 G HA2 -0.291 3.674 3.960 0.008 0.000 0.232 296 G HA3 -0.291 3.674 3.960 0.008 0.000 0.232 296 G C 0.050 174.950 174.900 0.001 0.000 0.986 296 G CA 0.107 45.209 45.100 0.003 0.000 0.643 296 G HN 0.296 nan 8.290 nan 0.000 0.522 297 E N 0.421 120.622 120.200 0.003 0.000 2.383 297 E HA 0.429 4.784 4.350 0.008 0.000 0.264 297 E C -0.073 176.526 176.600 -0.000 0.000 1.050 297 E CA -0.403 55.998 56.400 0.003 0.000 0.896 297 E CB 0.934 30.638 29.700 0.006 0.000 0.982 297 E HN 0.107 nan 8.360 nan 0.000 0.424 298 V N 5.695 125.608 119.914 -0.002 0.000 2.350 298 V HA 0.181 4.306 4.120 0.008 0.000 0.276 298 V C -0.119 175.974 176.094 -0.003 0.000 1.028 298 V CA -0.525 61.771 62.300 -0.007 0.000 0.860 298 V CB 0.942 32.758 31.823 -0.012 0.000 0.990 298 V HN 0.498 nan 8.190 nan 0.000 0.453 299 V N 2.118 122.029 119.914 -0.005 0.000 2.581 299 V HA 0.611 4.736 4.120 0.008 0.000 0.303 299 V C -0.135 175.952 176.094 -0.010 0.000 1.041 299 V CA -0.867 61.436 62.300 0.006 0.000 0.907 299 V CB 1.799 33.632 31.823 0.017 0.000 0.994 299 V HN 0.816 nan 8.190 nan 0.000 0.442 300 E N 4.053 124.255 120.200 0.003 0.000 2.044 300 E HA 0.413 4.768 4.350 0.008 0.000 0.282 300 E C -0.697 175.884 176.600 -0.031 0.000 1.031 300 E CA -0.246 56.125 56.400 -0.048 0.000 0.824 300 E CB 1.389 31.048 29.700 -0.067 0.000 1.076 300 E HN 0.652 nan 8.360 nan 0.000 0.395 301 I N 3.673 124.207 120.570 -0.060 0.000 2.436 301 I HA 0.016 4.191 4.170 0.008 0.000 0.289 301 I C 0.233 176.332 176.117 -0.030 0.000 1.083 301 I CA -0.043 61.257 61.300 -0.001 0.000 1.372 301 I CB 0.062 38.050 38.000 -0.020 0.000 1.408 301 I HN 0.409 nan 8.210 nan 0.000 0.516 302 H N 7.672 126.768 119.070 0.043 0.000 2.548 302 H HA 0.222 4.783 4.556 0.008 0.000 0.331 302 H C -1.875 173.499 175.328 0.077 0.000 1.093 302 H CA -1.496 54.584 56.048 0.054 0.000 1.367 302 H CB 0.748 30.535 29.762 0.042 0.000 1.455 302 H HN 0.358 nan 8.280 nan 0.000 0.519 303 P HA -0.003 nan 4.420 nan 0.000 0.230 303 P C -0.756 176.635 177.300 0.152 0.000 1.791 303 P CA 0.106 63.298 63.100 0.153 0.000 1.020 303 P CB 0.016 31.791 31.700 0.125 0.000 1.977 304 D N 2.812 123.300 120.400 0.146 0.000 2.344 304 D HA 0.166 4.811 4.640 0.008 0.000 0.239 304 D C -1.488 174.875 176.300 0.104 0.000 1.064 304 D CA -2.257 51.814 54.000 0.118 0.000 0.829 304 D CB 2.474 43.331 40.800 0.095 0.000 1.129 304 D HN 0.043 nan 8.370 nan 0.000 0.506 305 P HA -0.070 nan 4.420 nan 0.000 0.221 305 P C 0.661 177.990 177.300 0.049 0.000 1.150 305 P CA 0.681 63.827 63.100 0.077 0.000 0.800 305 P CB 0.654 32.432 31.700 0.130 0.000 0.787 306 N N -0.038 118.697 118.700 0.058 0.000 2.416 306 N HA -0.003 4.741 4.740 0.008 0.000 0.177 306 N C 1.509 177.042 175.510 0.038 0.000 1.036 306 N CA 0.654 53.730 53.050 0.042 0.000 0.901 306 N CB -0.664 37.848 38.487 0.041 0.000 0.976 306 N HN 0.154 nan 8.380 nan 0.000 0.444 307 G N 2.194 111.022 108.800 0.048 0.000 2.583 307 G HA2 0.201 4.165 3.960 0.008 0.000 0.275 307 G HA3 0.201 4.165 3.960 0.008 0.000 0.275 307 G C -2.247 172.681 174.900 0.047 0.000 1.342 307 G CA -0.590 44.538 45.100 0.047 0.000 1.030 307 G HN 0.042 nan 8.290 nan 0.000 0.520 308 P HA 0.148 nan 4.420 nan 0.000 0.272 308 P C -0.464 176.873 177.300 0.063 0.000 1.223 308 P CA -0.471 62.659 63.100 0.051 0.000 0.784 308 P CB 1.055 32.785 31.700 0.049 0.000 0.923 309 L N 1.989 123.250 121.223 0.063 0.000 2.331 309 L HA 0.529 4.874 4.340 0.008 0.000 0.278 309 L C -0.442 176.482 176.870 0.091 0.000 1.106 309 L CA -0.049 54.834 54.840 0.072 0.000 0.824 309 L CB -0.075 42.021 42.059 0.062 0.000 1.142 309 L HN 0.525 nan 8.230 nan 0.000 0.443 310 A N 4.707 127.594 122.820 0.112 0.000 2.402 310 A HA 0.925 5.249 4.320 0.008 0.000 0.291 310 A C -1.060 176.644 177.584 0.201 0.000 1.051 310 A CA 0.043 52.162 52.037 0.135 0.000 0.716 310 A CB 1.258 20.328 19.000 0.117 0.000 1.223 310 A HN 1.212 nan 8.150 nan 0.000 0.425 311 A N 2.360 125.294 122.820 0.190 0.000 2.515 311 A HA 0.750 5.074 4.320 0.008 0.000 0.298 311 A C -1.327 176.395 177.584 0.231 0.000 1.059 311 A CA -0.438 51.730 52.037 0.218 0.000 0.698 311 A CB 1.340 20.410 19.000 0.116 0.000 1.289 311 A HN 1.244 nan 8.150 nan 0.000 0.404 312 L N 1.855 123.259 121.223 0.301 0.000 2.322 312 L HA 0.821 5.166 4.340 0.008 0.000 0.279 312 L C 0.073 177.111 176.870 0.280 0.000 1.036 312 L CA -0.311 54.701 54.840 0.288 0.000 0.807 312 L CB 1.483 43.779 42.059 0.396 0.000 1.226 312 L HN 0.962 nan 8.230 nan 0.000 0.433 313 A N 4.082 127.042 122.820 0.232 0.000 2.304 313 A HA 0.578 4.903 4.320 0.008 0.000 0.323 313 A C -0.404 177.346 177.584 0.277 0.000 1.195 313 A CA -0.494 51.666 52.037 0.205 0.000 0.826 313 A CB 0.580 19.637 19.000 0.094 0.000 1.184 313 A HN 0.791 nan 8.150 nan 0.000 0.496 314 F N -0.163 119.842 119.950 0.093 0.000 2.925 314 F HA 0.537 5.069 4.527 0.008 0.000 0.355 314 F C -0.108 175.725 175.800 0.055 0.000 1.073 314 F CA -0.448 57.593 58.000 0.069 0.000 1.127 314 F CB 0.660 39.690 39.000 0.050 0.000 1.123 314 F HN 0.260 nan 8.300 nan 0.000 0.551 315 K N 2.376 122.550 120.400 -0.378 0.000 2.565 315 K HA 0.414 4.739 4.320 0.008 0.000 0.251 315 K C -1.566 175.006 176.600 -0.047 0.000 0.956 315 K CA -0.287 55.856 56.287 -0.239 0.000 0.809 315 K CB 2.991 35.199 32.500 -0.486 0.000 1.267 315 K HN 0.042 nan 8.250 nan 0.000 0.438 316 I N 4.062 124.626 120.570 -0.010 0.000 2.359 316 I HA 0.391 4.565 4.170 0.008 0.000 0.284 316 I C 0.204 176.337 176.117 0.027 0.000 1.018 316 I CA -0.477 60.838 61.300 0.025 0.000 1.173 316 I CB 0.837 38.848 38.000 0.019 0.000 1.326 316 I HN 0.399 nan 8.210 nan 0.000 0.462 317 M N 4.097 123.737 119.600 0.067 0.000 2.537 317 M HA 0.609 5.094 4.480 0.008 0.000 0.324 317 M C 0.020 176.328 176.300 0.014 0.000 1.187 317 M CA -0.645 54.683 55.300 0.046 0.000 0.993 317 M CB 2.460 35.135 32.600 0.125 0.000 1.666 317 M HN 0.604 nan 8.290 nan 0.000 0.461 318 A N 2.008 124.821 122.820 -0.011 0.000 2.253 318 A HA 0.372 4.697 4.320 0.008 0.000 0.316 318 A C -0.694 176.857 177.584 -0.055 0.000 1.327 318 A CA -0.539 51.482 52.037 -0.028 0.000 0.917 318 A CB 0.174 19.157 19.000 -0.027 0.000 1.162 318 A HN 0.790 nan 8.150 nan 0.000 0.535 319 D N 3.712 124.071 120.400 -0.070 0.000 2.233 319 D HA 0.342 4.987 4.640 0.008 0.000 0.240 319 D C -1.591 174.617 176.300 -0.153 0.000 1.074 319 D CA -1.584 52.339 54.000 -0.128 0.000 0.838 319 D CB 1.870 42.587 40.800 -0.138 0.000 1.124 319 D HN 0.166 nan 8.370 nan 0.000 0.475 320 P HA -0.171 nan 4.420 nan 0.000 0.217 320 P C -0.196 177.075 177.300 -0.049 0.000 1.158 320 P CA 1.566 64.569 63.100 -0.161 0.000 0.887 320 P CB -0.090 31.461 31.700 -0.248 0.000 0.792 321 Y N -3.495 116.798 120.300 -0.010 0.000 2.501 321 Y HA 0.569 5.124 4.550 0.007 0.000 0.331 321 Y C 0.350 176.243 175.900 -0.011 0.000 0.950 321 Y CA -0.749 57.345 58.100 -0.009 0.000 1.120 321 Y CB -0.099 38.357 38.460 -0.006 0.000 1.154 321 Y HN -0.202 nan 8.280 nan 0.000 0.630 322 V N -3.372 116.562 119.914 0.032 0.000 3.195 322 V HA 0.815 4.940 4.120 0.008 0.000 0.256 322 V C 0.751 176.839 176.094 -0.009 0.000 1.735 322 V CA -0.045 62.267 62.300 0.019 0.000 1.017 322 V CB 0.331 32.148 31.823 -0.010 0.000 0.897 322 V HN 1.195 nan 8.190 nan 0.000 0.387 323 G N 1.672 110.458 108.800 -0.023 0.000 2.358 323 G HA2 -0.061 3.904 3.960 0.008 0.000 0.198 323 G HA3 -0.061 3.904 3.960 0.008 0.000 0.198 323 G C -0.375 174.503 174.900 -0.036 0.000 1.220 323 G CA -0.105 44.982 45.100 -0.023 0.000 1.187 323 G HN 0.708 nan 8.290 nan 0.000 0.544 324 R N 0.439 120.920 120.500 -0.032 0.000 2.347 324 R HA 0.567 4.911 4.340 0.008 0.000 0.304 324 R C -0.524 175.737 176.300 -0.066 0.000 1.072 324 R CA -0.331 55.748 56.100 -0.035 0.000 0.980 324 R CB -0.038 30.249 30.300 -0.022 0.000 0.986 324 R HN 0.449 nan 8.270 nan 0.000 0.448 325 L N 3.877 125.057 121.223 -0.073 0.000 2.313 325 L HA 0.318 4.663 4.340 0.008 0.000 0.283 325 L C -0.043 176.748 176.870 -0.132 0.000 1.013 325 L CA -0.585 54.160 54.840 -0.158 0.000 0.816 325 L CB 2.108 44.047 42.059 -0.199 0.000 1.236 325 L HN 0.708 nan 8.230 nan 0.000 0.419 326 T N 2.438 116.869 114.554 -0.205 0.000 2.833 326 T HA 0.491 4.846 4.350 0.008 0.000 0.297 326 T C -0.610 173.952 174.700 -0.230 0.000 1.015 326 T CA -0.355 61.667 62.100 -0.130 0.000 0.963 326 T CB 0.155 68.978 68.868 -0.074 0.000 0.955 326 T HN 0.161 nan 8.240 nan 0.000 0.449 327 F N 6.183 125.948 119.950 -0.308 0.000 2.427 327 F HA 0.502 5.033 4.527 0.007 0.000 0.352 327 F C 0.818 176.412 175.800 -0.343 0.000 1.100 327 F CA -0.956 56.793 58.000 -0.417 0.000 1.191 327 F CB 0.940 39.482 39.000 -0.763 0.000 1.128 327 F HN 0.508 nan 8.300 nan 0.000 0.533 328 I N 1.588 122.202 120.570 0.074 0.000 2.740 328 I HA 0.681 4.856 4.170 0.008 0.000 0.303 328 I C -1.084 175.221 176.117 0.314 0.000 1.044 328 I CA -1.298 60.128 61.300 0.210 0.000 1.064 328 I CB 1.808 39.856 38.000 0.080 0.000 1.249 328 I HN 0.543 nan 8.210 nan 0.000 0.433 329 R N 4.238 124.880 120.500 0.237 0.000 2.387 329 R HA 0.658 5.003 4.340 0.008 0.000 0.314 329 R C -1.817 174.375 176.300 -0.180 0.000 0.958 329 R CA -0.553 55.513 56.100 -0.056 0.000 0.846 329 R CB 1.201 31.336 30.300 -0.276 0.000 1.147 329 R HN 0.584 nan 8.270 nan 0.000 0.447 330 V N 6.704 126.498 119.914 -0.201 0.000 2.465 330 V HA 0.255 4.380 4.120 0.008 0.000 0.279 330 V C -0.030 175.913 176.094 -0.251 0.000 1.045 330 V CA -0.185 62.036 62.300 -0.131 0.000 0.938 330 V CB 1.041 32.824 31.823 -0.067 0.000 0.986 330 V HN 0.830 nan 8.190 nan 0.000 0.467 331 Y N 1.942 122.259 120.300 0.029 0.000 2.464 331 Y HA 0.186 4.740 4.550 0.008 0.000 0.288 331 Y C 1.404 177.327 175.900 0.038 0.000 1.133 331 Y CA 0.628 58.744 58.100 0.027 0.000 1.223 331 Y CB 0.524 38.994 38.460 0.017 0.000 1.187 331 Y HN 0.705 nan 8.280 nan 0.000 0.539 332 S N -0.685 115.131 115.700 0.193 0.000 2.564 332 S HA 0.734 5.209 4.470 0.008 0.000 0.274 332 S C 0.042 174.694 174.600 0.087 0.000 1.124 332 S CA -0.333 57.946 58.200 0.131 0.000 0.869 332 S CB 1.943 65.223 63.200 0.134 0.000 1.105 332 S HN 0.867 nan 8.310 nan 0.000 0.472 333 G N 1.134 109.973 108.800 0.065 0.000 2.593 333 G HA2 0.029 3.993 3.960 0.008 0.000 0.237 333 G HA3 0.029 3.993 3.960 0.008 0.000 0.237 333 G C -0.413 174.486 174.900 -0.002 0.000 1.312 333 G CA -0.177 44.945 45.100 0.037 0.000 0.896 333 G HN 1.490 nan 8.290 nan 0.000 0.574 334 T N 0.305 114.853 114.554 -0.010 0.000 2.881 334 T HA 0.522 4.876 4.350 0.008 0.000 0.290 334 T C -0.686 174.000 174.700 -0.024 0.000 1.000 334 T CA -0.225 61.848 62.100 -0.046 0.000 0.978 334 T CB 1.668 70.502 68.868 -0.056 0.000 0.997 334 T HN 1.193 nan 8.240 nan 0.000 0.443 335 L N 3.868 125.068 121.223 -0.037 0.000 2.255 335 L HA 0.607 4.951 4.340 0.008 0.000 0.289 335 L C 0.120 176.968 176.870 -0.038 0.000 1.046 335 L CA 0.164 54.990 54.840 -0.024 0.000 0.816 335 L CB 0.876 42.922 42.059 -0.021 0.000 1.197 335 L HN 0.606 nan 8.230 nan 0.000 0.427 336 T N 3.490 118.027 114.554 -0.028 0.000 2.767 336 T HA 0.325 4.679 4.350 0.008 0.000 0.284 336 T C -0.019 174.656 174.700 -0.041 0.000 0.973 336 T CA -0.221 61.860 62.100 -0.033 0.000 0.996 336 T CB 0.659 69.514 68.868 -0.021 0.000 0.927 336 T HN 0.784 nan 8.240 nan 0.000 0.456 337 S N 3.379 119.052 115.700 -0.045 0.000 2.560 337 S HA 0.420 4.895 4.470 0.008 0.000 0.284 337 S C 1.162 175.724 174.600 -0.063 0.000 1.327 337 S CA 0.793 58.960 58.200 -0.054 0.000 1.055 337 S CB -0.359 62.814 63.200 -0.045 0.000 0.868 337 S HN 1.628 nan 8.310 nan 0.000 0.506 338 G N 2.736 111.482 108.800 -0.089 0.000 2.353 338 G HA2 -0.118 3.847 3.960 0.008 0.000 0.294 338 G HA3 -0.118 3.847 3.960 0.008 0.000 0.294 338 G C 0.010 174.826 174.900 -0.140 0.000 1.077 338 G CA 0.519 45.550 45.100 -0.115 0.000 1.098 338 G HN 1.651 nan 8.290 nan 0.000 0.511 339 S N -0.919 114.664 115.700 -0.194 0.000 2.929 339 S HA 0.859 5.334 4.470 0.008 0.000 0.311 339 S C -0.842 173.548 174.600 -0.351 0.000 1.213 339 S CA -1.014 57.072 58.200 -0.191 0.000 0.908 339 S CB 1.622 64.799 63.200 -0.038 0.000 1.287 339 S HN 0.810 nan 8.310 nan 0.000 0.594 340 Y N 0.061 120.373 120.300 0.020 0.000 2.485 340 Y HA 0.720 5.274 4.550 0.007 0.000 0.345 340 Y C -0.007 175.920 175.900 0.046 0.000 0.998 340 Y CA -0.612 57.508 58.100 0.033 0.000 1.059 340 Y CB 2.228 40.711 38.460 0.039 0.000 1.234 340 Y HN 0.747 nan 8.280 nan 0.000 0.461 341 V N -0.653 119.398 119.914 0.228 0.000 2.962 341 V HA 0.546 4.671 4.120 0.008 0.000 0.313 341 V C -1.759 174.465 176.094 0.217 0.000 1.099 341 V CA -1.303 61.102 62.300 0.175 0.000 0.971 341 V CB 2.059 33.942 31.823 0.100 0.000 1.028 341 V HN 0.656 nan 8.190 nan 0.000 0.430 342 Y N 2.561 122.901 120.300 0.068 0.000 2.330 342 Y HA 0.567 5.122 4.550 0.008 0.000 0.336 342 Y C 0.225 176.153 175.900 0.047 0.000 1.036 342 Y CA -0.782 57.349 58.100 0.051 0.000 1.125 342 Y CB 1.611 40.093 38.460 0.037 0.000 1.194 342 Y HN 0.867 nan 8.280 nan 0.000 0.469 343 N N 3.895 122.242 118.700 -0.587 0.000 2.801 343 N HA 0.034 4.778 4.740 0.008 0.000 0.235 343 N C 0.805 175.985 175.510 -0.549 0.000 1.069 343 N CA 0.454 53.262 53.050 -0.403 0.000 0.946 343 N CB 0.711 39.054 38.487 -0.240 0.000 1.212 343 N HN 0.915 nan 8.380 nan 0.000 0.509 344 T N -0.667 113.694 114.554 -0.323 0.000 2.778 344 T HA -0.177 4.177 4.350 0.008 0.000 0.269 344 T C 1.501 176.144 174.700 -0.094 0.000 1.050 344 T CA 1.813 63.829 62.100 -0.141 0.000 1.137 344 T CB -0.331 68.561 68.868 0.040 0.000 0.860 344 T HN 0.329 nan 8.240 nan 0.000 0.468 345 T N 1.472 115.973 114.554 -0.088 0.000 2.732 345 T HA 0.042 4.397 4.350 0.008 0.000 0.261 345 T C 1.945 176.610 174.700 -0.058 0.000 1.040 345 T CA 0.801 62.873 62.100 -0.046 0.000 1.145 345 T CB -0.092 68.763 68.868 -0.022 0.000 0.866 345 T HN 0.279 nan 8.240 nan 0.000 0.427 346 K N 0.416 120.756 120.400 -0.099 0.000 2.356 346 K HA 0.204 4.529 4.320 0.008 0.000 0.195 346 K C 1.413 177.953 176.600 -0.101 0.000 1.037 346 K CA 0.489 56.727 56.287 -0.082 0.000 1.014 346 K CB 0.087 32.544 32.500 -0.071 0.000 0.815 346 K HN 0.503 nan 8.250 nan 0.000 0.507 347 G N 3.166 111.843 108.800 -0.204 0.000 2.246 347 G HA2 -0.303 3.662 3.960 0.008 0.000 0.273 347 G HA3 -0.303 3.662 3.960 0.008 0.000 0.273 347 G C -0.100 174.742 174.900 -0.097 0.000 1.055 347 G CA 0.923 45.926 45.100 -0.162 0.000 0.851 347 G HN 0.459 nan 8.290 nan 0.000 0.500 348 R N -1.829 118.523 120.500 -0.247 0.000 2.817 348 R HA 0.731 5.075 4.340 0.008 0.000 0.268 348 R C -0.432 175.864 176.300 -0.008 0.000 1.027 348 R CA -1.246 54.835 56.100 -0.031 0.000 0.928 348 R CB 1.219 31.514 30.300 -0.008 0.000 1.228 348 R HN -0.036 nan 8.270 nan 0.000 0.469 349 K N 1.322 121.789 120.400 0.112 0.000 2.295 349 K HA 0.177 4.502 4.320 0.008 0.000 0.270 349 K C -0.551 176.126 176.600 0.128 0.000 1.011 349 K CA -0.057 56.318 56.287 0.147 0.000 0.953 349 K CB 0.782 33.338 32.500 0.093 0.000 0.956 349 K HN 0.514 nan 8.250 nan 0.000 0.477 350 E N 1.804 122.113 120.200 0.181 0.000 2.292 350 E HA 0.164 4.519 4.350 0.008 0.000 0.272 350 E C -1.011 175.686 176.600 0.162 0.000 0.881 350 E CA -0.926 55.554 56.400 0.134 0.000 0.754 350 E CB 2.310 32.042 29.700 0.054 0.000 1.201 350 E HN 0.265 nan 8.360 nan 0.000 0.425 351 R N 2.122 122.662 120.500 0.066 0.000 2.204 351 R HA 0.224 4.569 4.340 0.008 0.000 0.341 351 R C -1.032 175.190 176.300 -0.131 0.000 1.035 351 R CA -0.395 55.624 56.100 -0.134 0.000 0.887 351 R CB 0.356 30.579 30.300 -0.128 0.000 1.114 351 R HN 0.246 nan 8.270 nan 0.000 0.473 352 V N 6.036 125.857 119.914 -0.155 0.000 2.415 352 V HA 0.390 4.515 4.120 0.008 0.000 0.267 352 V C 0.752 176.766 176.094 -0.133 0.000 1.042 352 V CA 0.699 62.931 62.300 -0.114 0.000 1.000 352 V CB 0.260 32.033 31.823 -0.083 0.000 1.015 352 V HN 0.991 nan 8.190 nan 0.000 0.478 353 A N 8.111 130.868 122.820 -0.105 0.000 1.865 353 A HA 0.344 4.668 4.320 0.008 0.000 0.216 353 A C 1.260 178.797 177.584 -0.078 0.000 1.315 353 A CA 0.547 52.529 52.037 -0.093 0.000 0.605 353 A CB 0.006 18.963 19.000 -0.072 0.000 0.984 353 A HN 0.755 nan 8.150 nan 0.000 0.470 354 R N -1.578 118.879 120.500 -0.071 0.000 2.854 354 R HA 0.742 5.086 4.340 0.008 0.000 0.271 354 R C -1.552 174.703 176.300 -0.074 0.000 0.996 354 R CA -0.529 55.534 56.100 -0.062 0.000 0.961 354 R CB 1.674 31.944 30.300 -0.049 0.000 1.182 354 R HN 0.355 nan 8.270 nan 0.000 0.479 355 L N 2.419 123.603 121.223 -0.064 0.000 2.362 355 L HA 0.637 4.981 4.340 0.008 0.000 0.271 355 L C -1.012 175.820 176.870 -0.063 0.000 1.002 355 L CA -0.795 54.000 54.840 -0.075 0.000 0.818 355 L CB 1.653 43.675 42.059 -0.061 0.000 1.298 355 L HN 0.330 nan 8.230 nan 0.000 0.420 356 L N 2.219 123.388 121.223 -0.090 0.000 2.409 356 L HA 0.617 4.962 4.340 0.008 0.000 0.262 356 L C -0.671 176.167 176.870 -0.054 0.000 0.992 356 L CA -0.718 54.084 54.840 -0.062 0.000 0.817 356 L CB 2.593 44.601 42.059 -0.086 0.000 1.350 356 L HN 0.523 nan 8.230 nan 0.000 0.411 357 R N 2.145 122.652 120.500 0.012 0.000 2.514 357 R HA 0.631 4.975 4.340 0.008 0.000 0.301 357 R C -1.029 175.292 176.300 0.033 0.000 0.962 357 R CA -0.885 55.221 56.100 0.011 0.000 0.882 357 R CB 1.923 32.250 30.300 0.044 0.000 1.143 357 R HN 0.426 nan 8.270 nan 0.000 0.452 358 M N 3.864 123.451 119.600 -0.023 0.000 2.113 358 M HA 0.292 4.777 4.480 0.008 0.000 0.352 358 M C 0.004 176.218 176.300 -0.144 0.000 1.170 358 M CA -0.030 55.264 55.300 -0.010 0.000 1.053 358 M CB 0.840 33.481 32.600 0.068 0.000 1.601 358 M HN 0.495 nan 8.290 nan 0.000 0.459 359 H N 0.713 119.670 119.070 -0.188 0.000 2.649 359 H HA 0.455 5.015 4.556 0.008 0.000 0.337 359 H C 0.900 176.173 175.328 -0.093 0.000 1.282 359 H CA -0.389 55.543 56.048 -0.193 0.000 1.333 359 H CB 1.375 30.861 29.762 -0.459 0.000 1.787 359 H HN 0.766 nan 8.280 nan 0.000 0.632 360 A N 0.926 123.815 122.820 0.114 0.000 1.873 360 A HA -0.210 4.115 4.320 0.008 0.000 0.218 360 A C 1.083 178.731 177.584 0.108 0.000 1.193 360 A CA 1.867 53.962 52.037 0.096 0.000 0.629 360 A CB -0.197 18.873 19.000 0.116 0.000 0.826 360 A HN 0.702 nan 8.150 nan 0.000 0.447 361 N N -0.722 118.082 118.700 0.173 0.000 2.451 361 N HA 0.146 4.891 4.740 0.008 0.000 0.271 361 N C -0.632 175.036 175.510 0.262 0.000 1.410 361 N CA 0.134 53.289 53.050 0.176 0.000 0.884 361 N CB 0.638 39.213 38.487 0.148 0.000 1.332 361 N HN 0.874 nan 8.380 nan 0.000 0.498 362 H N -1.642 117.488 119.070 0.100 0.000 2.935 362 H HA 0.393 4.953 4.556 0.008 0.000 0.297 362 H C -1.286 174.110 175.328 0.114 0.000 1.423 362 H CA -0.630 55.467 56.048 0.082 0.000 1.161 362 H CB 0.838 30.617 29.762 0.027 0.000 1.841 362 H HN -0.168 nan 8.280 nan 0.000 0.506 363 R N 0.649 121.192 120.500 0.072 0.000 2.460 363 R HA 0.381 4.725 4.340 0.008 0.000 0.303 363 R C -0.404 175.948 176.300 0.086 0.000 0.968 363 R CA -0.784 55.337 56.100 0.035 0.000 0.889 363 R CB 2.174 32.516 30.300 0.069 0.000 1.123 363 R HN 0.630 nan 8.270 nan 0.000 0.455 364 E N 2.215 122.463 120.200 0.082 0.000 2.158 364 E HA 0.095 4.450 4.350 0.008 0.000 0.271 364 E C -1.077 175.573 176.600 0.084 0.000 0.911 364 E CA -0.464 56.002 56.400 0.110 0.000 0.767 364 E CB 1.529 31.322 29.700 0.154 0.000 1.120 364 E HN 0.489 nan 8.360 nan 0.000 0.405 365 E N 3.190 123.429 120.200 0.065 0.000 2.259 365 E HA 0.276 4.631 4.350 0.008 0.000 0.281 365 E C -0.661 175.963 176.600 0.040 0.000 1.027 365 E CA -0.611 55.811 56.400 0.036 0.000 0.838 365 E CB 1.276 30.991 29.700 0.026 0.000 1.066 365 E HN 0.376 nan 8.360 nan 0.000 0.401 366 V N 0.956 120.883 119.914 0.022 0.000 3.001 366 V HA 0.385 4.510 4.120 0.008 0.000 0.314 366 V C 0.383 176.477 176.094 0.001 0.000 1.099 366 V CA -0.548 61.766 62.300 0.023 0.000 0.989 366 V CB 1.895 33.736 31.823 0.031 0.000 1.040 366 V HN 0.811 nan 8.190 nan 0.000 0.434 367 E N 1.099 121.301 120.200 0.002 0.000 2.250 367 E HA 0.147 4.501 4.350 0.008 0.000 0.192 367 E C 0.193 176.779 176.600 -0.023 0.000 0.986 367 E CA 0.964 57.358 56.400 -0.009 0.000 0.849 367 E CB 0.391 30.089 29.700 -0.002 0.000 0.797 367 E HN 0.923 nan 8.360 nan 0.000 0.482 368 E N -0.153 120.029 120.200 -0.030 0.000 2.380 368 E HA 0.319 4.673 4.350 0.008 0.000 0.281 368 E C -1.555 175.001 176.600 -0.074 0.000 0.999 368 E CA -0.756 55.612 56.400 -0.053 0.000 0.800 368 E CB 0.984 30.648 29.700 -0.060 0.000 1.228 368 E HN -0.166 nan 8.360 nan 0.000 0.436 369 L N 2.497 123.666 121.223 -0.089 0.000 2.298 369 L HA 0.470 4.814 4.340 0.008 0.000 0.284 369 L C -0.062 176.704 176.870 -0.174 0.000 1.013 369 L CA -0.441 54.330 54.840 -0.114 0.000 0.824 369 L CB 1.153 43.168 42.059 -0.074 0.000 1.221 369 L HN 0.582 nan 8.230 nan 0.000 0.418 370 K N 1.655 121.859 120.400 -0.327 0.000 2.399 370 K HA 0.722 5.046 4.320 0.008 0.000 0.247 370 K C -0.145 176.284 176.600 -0.285 0.000 1.036 370 K CA -0.911 55.109 56.287 -0.445 0.000 0.977 370 K CB 0.675 32.567 32.500 -1.013 0.000 1.272 370 K HN 0.611 nan 8.250 nan 0.000 0.501 371 A N 0.454 123.173 122.820 -0.169 0.000 2.476 371 A HA 0.397 4.721 4.320 0.008 0.000 0.275 371 A C 0.921 178.564 177.584 0.099 0.000 1.133 371 A CA 0.915 52.958 52.037 0.009 0.000 0.797 371 A CB -1.190 17.860 19.000 0.083 0.000 1.081 371 A HN 0.860 nan 8.150 nan 0.000 0.510 372 G N 1.887 110.698 108.800 0.018 0.000 2.253 372 G HA2 -0.162 3.803 3.960 0.008 0.000 0.209 372 G HA3 -0.162 3.803 3.960 0.008 0.000 0.209 372 G C 0.149 175.046 174.900 -0.005 0.000 0.997 372 G CA 0.237 45.349 45.100 0.020 0.000 0.640 372 G HN 0.743 nan 8.290 nan 0.000 0.496 373 D N -0.175 120.226 120.400 0.002 0.000 2.506 373 D HA 0.791 5.435 4.640 0.008 0.000 0.272 373 D C -0.127 176.149 176.300 -0.039 0.000 1.214 373 D CA 0.053 54.052 54.000 -0.002 0.000 1.067 373 D CB 1.413 42.226 40.800 0.022 0.000 1.117 373 D HN 0.144 nan 8.370 nan 0.000 0.578 374 L N -0.764 120.454 121.223 -0.007 0.000 2.506 374 L HA 0.689 5.033 4.340 0.008 0.000 0.257 374 L C 0.466 177.365 176.870 0.049 0.000 0.964 374 L CA -0.406 54.460 54.840 0.044 0.000 0.836 374 L CB 2.232 44.346 42.059 0.092 0.000 1.384 374 L HN 0.571 nan 8.230 nan 0.000 0.410 375 G N 0.142 108.981 108.800 0.065 0.000 2.588 375 G HA2 0.838 4.803 3.960 0.008 0.000 0.281 375 G HA3 0.838 4.803 3.960 0.008 0.000 0.281 375 G C -2.132 172.677 174.900 -0.152 0.000 1.223 375 G CA 0.091 45.187 45.100 -0.008 0.000 0.871 375 G HN 0.829 nan 8.290 nan 0.000 0.492 376 A N -0.867 121.733 122.820 -0.368 0.000 2.449 376 A HA 0.852 5.177 4.320 0.008 0.000 0.302 376 A C -0.279 177.081 177.584 -0.374 0.000 1.048 376 A CA -0.028 51.611 52.037 -0.664 0.000 0.708 376 A CB 1.553 19.705 19.000 -1.413 0.000 1.274 376 A HN 2.160 nan 8.150 nan 0.000 0.410 377 V N -0.013 119.719 119.914 -0.304 0.000 2.834 377 V HA 0.884 5.008 4.120 0.008 0.000 0.313 377 V C -0.287 175.701 176.094 -0.177 0.000 1.060 377 V CA -0.640 61.548 62.300 -0.188 0.000 0.989 377 V CB 1.390 33.139 31.823 -0.125 0.000 1.041 377 V HN 0.746 nan 8.190 nan 0.000 0.459 378 V N 3.776 123.614 119.914 -0.126 0.000 2.513 378 V HA 0.935 5.060 4.120 0.008 0.000 0.299 378 V C 0.984 177.032 176.094 -0.077 0.000 1.035 378 V CA 0.720 62.960 62.300 -0.100 0.000 0.889 378 V CB 0.242 32.017 31.823 -0.081 0.000 0.988 378 V HN 1.870 nan 8.190 nan 0.000 0.440 379 G N 3.248 112.011 108.800 -0.062 0.000 2.513 379 G HA2 0.072 4.037 3.960 0.008 0.000 0.227 379 G HA3 0.072 4.037 3.960 0.008 0.000 0.227 379 G C -0.319 174.555 174.900 -0.043 0.000 1.176 379 G CA -0.405 44.667 45.100 -0.047 0.000 0.967 379 G HN 1.635 nan 8.290 nan 0.000 0.587 380 L N -0.431 120.772 121.223 -0.033 0.000 3.634 380 L HA -0.135 4.210 4.340 0.008 0.000 0.647 380 L C 2.015 178.877 176.870 -0.014 0.000 1.199 380 L CA 1.470 56.296 54.840 -0.022 0.000 1.027 380 L CB -0.906 41.133 42.059 -0.033 0.000 1.511 380 L HN 0.768 nan 8.230 nan 0.000 0.855 381 K N 0.776 121.174 120.400 -0.004 0.000 2.057 381 K HA -0.074 4.250 4.320 0.008 0.000 0.207 381 K C 1.130 177.730 176.600 0.001 0.000 1.049 381 K CA 1.902 58.188 56.287 -0.000 0.000 0.931 381 K CB 0.175 32.679 32.500 0.007 0.000 0.714 381 K HN 0.612 nan 8.250 nan 0.000 0.440 382 E N 0.502 120.702 120.200 0.000 0.000 2.476 382 E HA 0.056 4.411 4.350 0.008 0.000 0.199 382 E C 0.116 176.712 176.600 -0.005 0.000 1.021 382 E CA 0.116 56.515 56.400 -0.002 0.000 0.907 382 E CB 0.386 30.084 29.700 -0.004 0.000 0.974 382 E HN 0.098 nan 8.360 nan 0.000 0.489 383 T N 3.247 117.798 114.554 -0.006 0.000 2.869 383 T HA 0.393 4.748 4.350 0.008 0.000 0.295 383 T C 0.740 175.444 174.700 0.008 0.000 0.987 383 T CA -0.199 61.899 62.100 -0.004 0.000 1.109 383 T CB 0.561 69.426 68.868 -0.005 0.000 0.932 383 T HN 0.094 nan 8.240 nan 0.000 0.518 384 I N -0.418 120.162 120.570 0.017 0.000 2.693 384 I HA 0.553 4.728 4.170 0.008 0.000 0.303 384 I C 0.581 176.727 176.117 0.049 0.000 1.025 384 I CA -1.184 60.136 61.300 0.033 0.000 1.086 384 I CB 1.626 39.649 38.000 0.038 0.000 1.268 384 I HN 0.425 nan 8.210 nan 0.000 0.440 385 T N 3.156 117.746 114.554 0.060 0.000 2.822 385 T HA 0.354 4.709 4.350 0.008 0.000 0.288 385 T C 1.026 175.790 174.700 0.106 0.000 0.991 385 T CA 1.188 63.339 62.100 0.084 0.000 1.176 385 T CB -0.541 68.378 68.868 0.085 0.000 0.951 385 T HN 1.438 nan 8.240 nan 0.000 0.526 386 G N 3.968 112.842 108.800 0.123 0.000 2.192 386 G HA2 -0.143 3.822 3.960 0.008 0.000 0.193 386 G HA3 -0.143 3.822 3.960 0.008 0.000 0.193 386 G C -0.248 174.704 174.900 0.086 0.000 0.999 386 G CA -0.079 45.089 45.100 0.114 0.000 0.659 386 G HN 0.737 nan 8.290 nan 0.000 0.503 387 D N 0.911 121.356 120.400 0.076 0.000 2.348 387 D HA 0.633 5.278 4.640 0.008 0.000 0.249 387 D C 0.488 176.824 176.300 0.061 0.000 1.110 387 D CA 0.438 54.467 54.000 0.049 0.000 0.967 387 D CB 1.104 41.918 40.800 0.024 0.000 1.139 387 D HN 0.058 nan 8.370 nan 0.000 0.466 388 T N 0.933 115.510 114.554 0.038 0.000 2.895 388 T HA 0.549 4.903 4.350 0.008 0.000 0.283 388 T C -0.649 174.073 174.700 0.037 0.000 1.014 388 T CA -0.619 61.513 62.100 0.053 0.000 1.037 388 T CB 0.898 69.792 68.868 0.042 0.000 1.006 388 T HN -0.011 nan 8.240 nan 0.000 0.468 389 L N 3.603 124.866 121.223 0.066 0.000 2.372 389 L HA 0.580 4.924 4.340 0.008 0.000 0.274 389 L C -0.128 176.798 176.870 0.093 0.000 0.988 389 L CA -0.740 54.137 54.840 0.062 0.000 0.833 389 L CB 1.384 43.478 42.059 0.058 0.000 1.236 389 L HN 0.592 nan 8.230 nan 0.000 0.410 390 V N -0.270 119.716 119.914 0.120 0.000 2.994 390 V HA 0.890 5.015 4.120 0.008 0.000 0.318 390 V C 0.730 176.910 176.094 0.143 0.000 1.085 390 V CA -0.625 61.757 62.300 0.137 0.000 0.998 390 V CB 1.616 33.533 31.823 0.156 0.000 1.063 390 V HN 0.758 nan 8.190 nan 0.000 0.447 391 G N -0.048 108.818 108.800 0.110 0.000 3.541 391 G HA2 0.384 4.349 3.960 0.008 0.000 0.253 391 G HA3 0.384 4.349 3.960 0.008 0.000 0.253 391 G C 0.439 175.389 174.900 0.084 0.000 1.017 391 G CA 0.662 45.818 45.100 0.093 0.000 1.832 391 G HN 1.288 nan 8.290 nan 0.000 0.649 392 E N -0.707 119.559 120.200 0.110 0.000 4.665 392 E HA -0.314 4.041 4.350 0.008 0.000 0.181 392 E C 0.753 177.343 176.600 -0.017 0.000 1.307 392 E CA 2.191 58.627 56.400 0.060 0.000 2.299 392 E CB -0.881 28.863 29.700 0.075 0.000 1.862 392 E HN 0.453 nan 8.360 nan 0.000 0.373 393 D N 0.083 120.484 120.400 0.001 0.000 2.349 393 D HA 0.290 4.935 4.640 0.008 0.000 0.214 393 D C 0.129 176.425 176.300 -0.006 0.000 1.063 393 D CA 0.804 54.795 54.000 -0.016 0.000 0.847 393 D CB 0.385 41.183 40.800 -0.003 0.000 0.933 393 D HN 0.355 nan 8.370 nan 0.000 0.513 394 A N 1.438 124.268 122.820 0.015 0.000 2.302 394 A HA 0.492 4.817 4.320 0.008 0.000 0.285 394 A C -2.204 175.398 177.584 0.029 0.000 1.105 394 A CA -1.211 50.846 52.037 0.032 0.000 0.816 394 A CB 0.025 19.059 19.000 0.058 0.000 1.067 394 A HN -0.124 nan 8.150 nan 0.000 0.489 395 P HA 0.023 nan 4.420 nan 0.000 0.261 395 P C -0.103 177.232 177.300 0.058 0.000 1.165 395 P CA 0.471 63.593 63.100 0.035 0.000 0.759 395 P CB 0.267 31.990 31.700 0.037 0.000 0.772 396 R N 2.300 122.836 120.500 0.059 0.000 3.298 396 R HA 0.088 4.433 4.340 0.008 0.000 0.249 396 R C 0.047 176.403 176.300 0.092 0.000 1.563 396 R CA -0.271 55.893 56.100 0.107 0.000 1.378 396 R CB -1.419 28.944 30.300 0.104 0.000 1.250 396 R HN 0.370 nan 8.270 nan 0.000 0.580 397 V N -0.852 119.103 119.914 0.068 0.000 2.999 397 V HA 0.213 4.337 4.120 0.008 0.000 0.307 397 V C 0.544 176.661 176.094 0.039 0.000 1.084 397 V CA -0.752 61.574 62.300 0.043 0.000 1.155 397 V CB 0.399 32.237 31.823 0.026 0.000 0.975 397 V HN 0.298 nan 8.190 nan 0.000 0.490 398 I N 1.065 121.646 120.570 0.018 0.000 2.474 398 I HA 0.534 4.709 4.170 0.008 0.000 0.294 398 I C 0.383 176.489 176.117 -0.018 0.000 1.005 398 I CA -0.711 60.594 61.300 0.008 0.000 1.113 398 I CB 1.691 39.698 38.000 0.011 0.000 1.289 398 I HN 0.447 nan 8.210 nan 0.000 0.436 399 L N 3.574 124.782 121.223 -0.025 0.000 2.168 399 L HA 0.324 4.669 4.340 0.008 0.000 0.203 399 L C 1.183 178.023 176.870 -0.051 0.000 1.078 399 L CA 1.390 56.189 54.840 -0.068 0.000 0.780 399 L CB -0.689 41.319 42.059 -0.085 0.000 0.939 399 L HN 0.705 nan 8.230 nan 0.000 0.451 400 E N -1.389 118.801 120.200 -0.016 0.000 2.302 400 E HA 0.255 4.610 4.350 0.008 0.000 0.255 400 E C -0.394 176.202 176.600 -0.007 0.000 1.099 400 E CA -0.511 55.884 56.400 -0.007 0.000 0.929 400 E CB 1.209 30.921 29.700 0.019 0.000 1.203 400 E HN -0.085 nan 8.360 nan 0.000 0.459 401 S N -0.192 115.504 115.700 -0.008 0.000 2.617 401 S HA 0.170 4.645 4.470 0.008 0.000 0.269 401 S C 1.243 175.849 174.600 0.009 0.000 1.292 401 S CA -0.399 57.797 58.200 -0.008 0.000 1.010 401 S CB 0.300 63.485 63.200 -0.025 0.000 0.944 401 S HN 0.435 nan 8.310 nan 0.000 0.536 402 I N 1.295 121.872 120.570 0.012 0.000 2.206 402 I HA 0.007 4.182 4.170 0.008 0.000 0.239 402 I C 1.329 177.465 176.117 0.032 0.000 1.078 402 I CA 0.298 61.611 61.300 0.021 0.000 1.367 402 I CB -0.559 37.453 38.000 0.021 0.000 1.078 402 I HN 0.648 nan 8.210 nan 0.000 0.413 403 E N 3.357 123.580 120.200 0.039 0.000 2.459 403 E HA -0.058 4.297 4.350 0.008 0.000 0.264 403 E C -0.656 175.984 176.600 0.066 0.000 1.055 403 E CA 0.188 56.622 56.400 0.058 0.000 0.957 403 E CB 0.880 30.624 29.700 0.074 0.000 0.952 403 E HN 0.008 nan 8.360 nan 0.000 0.448 404 V N 5.073 125.029 119.914 0.069 0.000 2.383 404 V HA 0.226 4.351 4.120 0.008 0.000 0.275 404 V C -1.881 174.259 176.094 0.077 0.000 1.036 404 V CA -1.563 60.775 62.300 0.063 0.000 0.889 404 V CB 0.902 32.749 31.823 0.041 0.000 0.985 404 V HN 0.700 nan 8.190 nan 0.000 0.459 405 P HA 0.173 nan 4.420 nan 0.000 0.269 405 P C -0.196 177.079 177.300 -0.042 0.000 1.209 405 P CA -0.184 62.964 63.100 0.079 0.000 0.776 405 P CB 0.539 32.287 31.700 0.080 0.000 0.876 406 E N 2.830 122.911 120.200 -0.199 0.000 2.319 406 E HA 0.238 4.592 4.350 0.008 0.000 0.268 406 E C -2.178 174.264 176.600 -0.264 0.000 1.050 406 E CA -1.836 54.369 56.400 -0.326 0.000 0.878 406 E CB -0.135 29.140 29.700 -0.708 0.000 1.066 406 E HN 0.292 nan 8.360 nan 0.000 0.406 407 P HA 0.026 nan 4.420 nan 0.000 0.276 407 P C 0.449 177.676 177.300 -0.121 0.000 1.264 407 P CA 0.071 63.108 63.100 -0.105 0.000 0.769 407 P CB 0.484 32.164 31.700 -0.034 0.000 0.840 408 V N 1.161 120.997 119.914 -0.131 0.000 3.548 408 V HA 0.351 4.476 4.120 0.008 0.000 0.279 408 V C 0.454 176.481 176.094 -0.112 0.000 1.446 408 V CA 0.388 62.593 62.300 -0.159 0.000 1.023 408 V CB 0.116 31.805 31.823 -0.224 0.000 0.820 408 V HN 0.242 nan 8.190 nan 0.000 0.438 409 I N 2.335 122.883 120.570 -0.036 0.000 2.447 409 I HA 0.595 4.769 4.170 0.008 0.000 0.287 409 I C -1.335 174.832 176.117 0.085 0.000 1.023 409 I CA -0.129 61.189 61.300 0.030 0.000 1.083 409 I CB 1.827 39.867 38.000 0.065 0.000 1.245 409 I HN 0.170 nan 8.210 nan 0.000 0.434 410 D N 5.740 126.210 120.400 0.116 0.000 2.193 410 D HA 0.549 5.193 4.640 0.008 0.000 0.249 410 D C -0.398 175.978 176.300 0.127 0.000 1.034 410 D CA -0.242 53.845 54.000 0.145 0.000 0.902 410 D CB 2.994 43.922 40.800 0.214 0.000 1.182 410 D HN 0.057 nan 8.370 nan 0.000 0.436 411 V N 1.095 121.072 119.914 0.105 0.000 2.612 411 V HA 0.516 4.640 4.120 0.008 0.000 0.301 411 V C -0.255 175.870 176.094 0.053 0.000 1.059 411 V CA -0.915 61.428 62.300 0.071 0.000 0.886 411 V CB 1.822 33.681 31.823 0.059 0.000 1.007 411 V HN 0.733 nan 8.190 nan 0.000 0.426 412 A N 5.559 128.395 122.820 0.028 0.000 2.354 412 A HA 0.849 5.174 4.320 0.008 0.000 0.269 412 A C -0.614 176.971 177.584 0.002 0.000 1.109 412 A CA -0.175 51.866 52.037 0.007 0.000 0.800 412 A CB 0.515 19.500 19.000 -0.025 0.000 1.045 412 A HN 0.904 nan 8.150 nan 0.000 0.489 413 I N 1.193 121.764 120.570 0.002 0.000 2.548 413 I HA 0.355 4.530 4.170 0.008 0.000 0.287 413 I C -0.923 175.190 176.117 -0.008 0.000 1.103 413 I CA -0.071 61.226 61.300 -0.005 0.000 1.049 413 I CB 1.582 39.578 38.000 -0.006 0.000 1.232 413 I HN 0.774 nan 8.210 nan 0.000 0.429 414 E N 8.568 128.761 120.200 -0.011 0.000 2.155 414 E HA 0.421 4.776 4.350 0.008 0.000 0.264 414 E C -2.504 174.089 176.600 -0.012 0.000 0.886 414 E CA -1.901 54.492 56.400 -0.011 0.000 0.752 414 E CB 1.766 31.458 29.700 -0.013 0.000 1.133 414 E HN 0.308 nan 8.360 nan 0.000 0.414 415 P HA 0.084 nan 4.420 nan 0.000 0.279 415 P C 0.464 177.759 177.300 -0.008 0.000 1.239 415 P CA -0.484 62.609 63.100 -0.012 0.000 0.789 415 P CB 1.141 32.833 31.700 -0.013 0.000 0.933 416 K N 1.350 121.747 120.400 -0.007 0.000 1.965 416 K HA -0.034 4.291 4.320 0.008 0.000 0.220 416 K C 0.522 177.120 176.600 -0.003 0.000 1.046 416 K CA 1.863 58.147 56.287 -0.005 0.000 0.974 416 K CB -0.898 31.600 32.500 -0.003 0.000 0.738 416 K HN 0.633 nan 8.250 nan 0.000 0.444 417 T N -0.874 113.678 114.554 -0.002 0.000 3.135 417 T HA 0.421 4.776 4.350 0.008 0.000 0.357 417 T C -0.063 174.637 174.700 0.000 0.000 1.112 417 T CA -0.695 61.404 62.100 -0.001 0.000 1.290 417 T CB 1.859 70.727 68.868 0.000 0.000 1.018 417 T HN 0.234 nan 8.240 nan 0.000 0.527 418 K N 0.898 121.297 120.400 -0.001 0.000 10.523 418 K HA -0.398 3.926 4.320 0.008 0.000 0.521 418 K C 2.129 178.730 176.600 0.002 0.000 0.393 418 K CA 2.111 58.398 56.287 -0.000 0.000 1.930 418 K CB -1.866 30.634 32.500 0.001 0.000 0.780 418 K HN 0.703 nan 8.250 nan 0.000 1.177 419 A N 1.104 123.927 122.820 0.004 0.000 1.940 419 A HA -0.242 4.082 4.320 0.008 0.000 0.219 419 A C 1.740 179.330 177.584 0.010 0.000 1.176 419 A CA 2.274 54.316 52.037 0.009 0.000 0.631 419 A CB -0.358 18.648 19.000 0.010 0.000 0.814 419 A HN 0.466 nan 8.150 nan 0.000 0.446 420 D N -1.258 119.146 120.400 0.006 0.000 2.194 420 D HA -0.102 4.542 4.640 0.008 0.000 0.204 420 D C 2.074 178.368 176.300 -0.009 0.000 0.964 420 D CA 0.828 54.830 54.000 0.004 0.000 0.846 420 D CB -0.140 40.661 40.800 0.002 0.000 0.962 420 D HN 0.408 nan 8.370 nan 0.000 0.490 421 Q N 1.242 121.037 119.800 -0.009 0.000 2.016 421 Q HA -0.146 4.199 4.340 0.008 0.000 0.200 421 Q C 1.856 177.844 176.000 -0.020 0.000 0.978 421 Q CA 1.203 56.997 55.803 -0.015 0.000 0.833 421 Q CB -0.146 28.586 28.738 -0.010 0.000 0.895 421 Q HN 0.359 nan 8.270 nan 0.000 0.427 422 E N 0.319 120.513 120.200 -0.010 0.000 2.204 422 E HA -0.150 4.204 4.350 0.008 0.000 0.194 422 E C 1.129 177.722 176.600 -0.013 0.000 0.989 422 E CA 1.010 57.405 56.400 -0.008 0.000 0.824 422 E CB 0.114 29.815 29.700 0.001 0.000 0.756 422 E HN 0.311 nan 8.360 nan 0.000 0.477 423 K N -0.231 120.162 120.400 -0.011 0.000 2.397 423 K HA 0.056 4.380 4.320 0.008 0.000 0.202 423 K C 1.466 178.006 176.600 -0.100 0.000 1.022 423 K CA -0.064 56.214 56.287 -0.016 0.000 1.141 423 K CB 0.493 33.024 32.500 0.052 0.000 0.857 423 K HN 0.023 nan 8.250 nan 0.000 0.514 424 L N 1.152 122.317 121.223 -0.097 0.000 2.262 424 L HA 0.073 4.418 4.340 0.008 0.000 0.197 424 L C 2.028 178.811 176.870 -0.144 0.000 1.073 424 L CA 1.478 56.235 54.840 -0.138 0.000 0.800 424 L CB -0.137 41.875 42.059 -0.078 0.000 0.987 424 L HN 0.289 nan 8.230 nan 0.000 0.470 425 S N -1.402 114.248 115.700 -0.084 0.000 2.469 425 S HA -0.166 4.308 4.470 0.008 0.000 0.238 425 S C 1.832 176.386 174.600 -0.077 0.000 0.998 425 S CA 0.822 58.986 58.200 -0.061 0.000 0.957 425 S CB -0.467 62.714 63.200 -0.032 0.000 0.764 425 S HN 0.539 nan 8.310 nan 0.000 0.514 426 Q N 0.915 120.650 119.800 -0.108 0.000 2.204 426 Q HA 0.267 4.612 4.340 0.008 0.000 0.198 426 Q C 2.494 178.330 176.000 -0.273 0.000 0.946 426 Q CA 1.226 56.962 55.803 -0.112 0.000 0.859 426 Q CB -0.531 28.180 28.738 -0.046 0.000 0.946 426 Q HN 0.681 nan 8.270 nan 0.000 0.474 427 A N 0.622 123.103 122.820 -0.566 0.000 2.019 427 A HA -0.126 4.199 4.320 0.008 0.000 0.219 427 A C 2.103 179.323 177.584 -0.606 0.000 1.164 427 A CA 1.007 52.268 52.037 -1.293 0.000 0.644 427 A CB -0.475 17.746 19.000 -1.298 0.000 0.805 427 A HN 0.311 nan 8.150 nan 0.000 0.449 428 L N -1.271 119.801 121.223 -0.253 0.000 2.127 428 L HA -0.006 4.339 4.340 0.008 0.000 0.203 428 L C 2.988 179.906 176.870 0.081 0.000 1.080 428 L CA 0.878 55.717 54.840 -0.001 0.000 0.768 428 L CB -0.509 41.590 42.059 0.066 0.000 0.924 428 L HN 0.341 nan 8.230 nan 0.000 0.444 429 A N 0.069 122.893 122.820 0.006 0.000 1.930 429 A HA -0.172 4.152 4.320 0.008 0.000 0.217 429 A C 2.235 179.852 177.584 0.055 0.000 1.175 429 A CA 1.237 53.287 52.037 0.022 0.000 0.627 429 A CB -0.403 18.598 19.000 0.003 0.000 0.815 429 A HN 0.230 nan 8.150 nan 0.000 0.443 430 R N -1.224 119.312 120.500 0.060 0.000 2.346 430 R HA 0.376 4.721 4.340 0.008 0.000 0.225 430 R C 0.918 177.350 176.300 0.221 0.000 0.987 430 R CA 0.324 56.522 56.100 0.163 0.000 1.106 430 R CB -0.350 30.137 30.300 0.312 0.000 1.090 430 R HN 0.528 nan 8.270 nan 0.000 0.502 431 L N -2.453 118.877 121.223 0.177 0.000 3.227 431 L HA 0.426 4.771 4.340 0.008 0.000 0.287 431 L C 0.358 177.402 176.870 0.290 0.000 1.161 431 L CA 0.107 55.076 54.840 0.214 0.000 1.048 431 L CB 0.462 42.622 42.059 0.169 0.000 1.541 431 L HN 0.059 nan 8.230 nan 0.000 0.590 432 A N 0.045 123.019 122.820 0.257 0.000 2.916 432 A HA 0.219 4.544 4.320 0.008 0.000 0.254 432 A C 0.865 178.483 177.584 0.056 0.000 1.544 432 A CA 0.277 52.387 52.037 0.122 0.000 1.224 432 A CB -0.438 18.480 19.000 -0.136 0.000 1.012 432 A HN 0.552 nan 8.150 nan 0.000 0.636 433 E N -0.681 119.581 120.200 0.102 0.000 2.940 433 E HA -0.056 4.299 4.350 0.008 0.000 0.203 433 E C 1.568 178.209 176.600 0.069 0.000 0.995 433 E CA 0.458 56.897 56.400 0.063 0.000 1.396 433 E CB -0.012 29.722 29.700 0.058 0.000 1.310 433 E HN 0.719 nan 8.360 nan 0.000 0.613 434 E N 1.215 121.464 120.200 0.083 0.000 2.208 434 E HA -0.116 4.239 4.350 0.008 0.000 0.193 434 E C -0.053 176.604 176.600 0.095 0.000 0.988 434 E CA 1.022 57.462 56.400 0.068 0.000 0.828 434 E CB 0.071 29.798 29.700 0.044 0.000 0.763 434 E HN 0.013 nan 8.360 nan 0.000 0.478 435 D N 1.105 121.597 120.400 0.154 0.000 2.363 435 D HA 0.161 4.806 4.640 0.008 0.000 0.258 435 D C -2.165 174.292 176.300 0.260 0.000 1.259 435 D CA -1.970 52.165 54.000 0.226 0.000 0.921 435 D CB 1.557 42.502 40.800 0.242 0.000 1.201 435 D HN -0.167 nan 8.370 nan 0.000 0.524 436 P HA 0.046 nan 4.420 nan 0.000 0.257 436 P C 0.781 178.079 177.300 -0.003 0.000 1.281 436 P CA 0.224 63.322 63.100 -0.003 0.000 0.826 436 P CB 0.129 31.826 31.700 -0.005 0.000 1.237 437 T N -2.997 111.646 114.554 0.148 0.000 3.148 437 T HA 0.090 4.444 4.350 0.008 0.000 0.253 437 T C 0.518 175.325 174.700 0.178 0.000 1.134 437 T CA -0.265 61.920 62.100 0.142 0.000 1.051 437 T CB -0.919 68.059 68.868 0.182 0.000 0.959 437 T HN 0.115 nan 8.240 nan 0.000 0.525 438 F N 1.184 121.221 119.950 0.145 0.000 2.425 438 F HA 0.841 5.373 4.527 0.008 0.000 0.331 438 F C -0.321 175.522 175.800 0.071 0.000 1.085 438 F CA -1.755 56.329 58.000 0.141 0.000 1.028 438 F CB 1.165 40.309 39.000 0.240 0.000 1.177 438 F HN -0.349 nan 8.300 nan 0.000 0.487 439 R N 2.676 123.208 120.500 0.054 0.000 2.711 439 R HA 0.719 5.063 4.340 0.008 0.000 0.284 439 R C -1.371 174.974 176.300 0.075 0.000 0.968 439 R CA -1.221 54.844 56.100 -0.058 0.000 0.924 439 R CB 1.895 32.183 30.300 -0.021 0.000 1.162 439 R HN 0.673 nan 8.270 nan 0.000 0.465 440 V N 1.203 121.123 119.914 0.010 0.000 2.555 440 V HA 0.661 4.786 4.120 0.008 0.000 0.302 440 V C 0.176 176.292 176.094 0.037 0.000 1.038 440 V CA -0.513 61.830 62.300 0.072 0.000 0.887 440 V CB 1.729 33.595 31.823 0.071 0.000 0.991 440 V HN 1.044 nan 8.190 nan 0.000 0.434 441 S N 2.390 118.122 115.700 0.054 0.000 2.776 441 S HA 0.743 5.218 4.470 0.008 0.000 0.292 441 S C -0.765 173.861 174.600 0.045 0.000 1.187 441 S CA -0.803 57.419 58.200 0.037 0.000 0.834 441 S CB 2.281 65.504 63.200 0.038 0.000 1.199 441 S HN 0.556 nan 8.310 nan 0.000 0.514 442 T N 1.490 116.063 114.554 0.032 0.000 2.841 442 T HA 0.421 4.776 4.350 0.008 0.000 0.285 442 T C -1.049 173.679 174.700 0.046 0.000 0.991 442 T CA -0.403 61.721 62.100 0.041 0.000 0.966 442 T CB 0.772 69.649 68.868 0.016 0.000 0.962 442 T HN 0.656 nan 8.240 nan 0.000 0.438 443 H N 4.754 123.812 119.070 -0.021 0.000 2.929 443 H HA 0.071 4.631 4.556 0.008 0.000 0.317 443 H C -1.520 173.777 175.328 -0.050 0.000 1.031 443 H CA -1.294 54.729 56.048 -0.042 0.000 1.466 443 H CB 1.272 31.007 29.762 -0.046 0.000 1.482 443 H HN 0.330 nan 8.280 nan 0.000 0.561 444 P HA -0.283 nan 4.420 nan 0.000 0.226 444 P C 0.770 178.012 177.300 -0.097 0.000 1.154 444 P CA 2.568 65.536 63.100 -0.221 0.000 0.918 444 P CB 0.243 31.745 31.700 -0.330 0.000 0.790 445 E N -3.248 116.934 120.200 -0.030 0.000 2.441 445 E HA 0.018 4.372 4.350 0.008 0.000 0.212 445 E C 1.594 178.222 176.600 0.047 0.000 0.840 445 E CA 0.528 56.934 56.400 0.010 0.000 1.143 445 E CB -0.946 28.754 29.700 -0.000 0.000 1.153 445 E HN 0.158 nan 8.360 nan 0.000 0.539 446 T N -1.688 112.934 114.554 0.113 0.000 3.023 446 T HA 0.164 4.519 4.350 0.008 0.000 0.266 446 T C 1.765 176.491 174.700 0.044 0.000 1.093 446 T CA 0.694 62.833 62.100 0.065 0.000 1.129 446 T CB -0.193 68.694 68.868 0.032 0.000 0.899 446 T HN 0.504 nan 8.240 nan 0.000 0.491 447 G N 1.284 110.118 108.800 0.057 0.000 2.203 447 G HA2 -0.283 3.681 3.960 0.008 0.000 0.263 447 G HA3 -0.283 3.681 3.960 0.008 0.000 0.263 447 G C 0.046 174.964 174.900 0.030 0.000 1.012 447 G CA 0.648 45.767 45.100 0.033 0.000 0.749 447 G HN 0.685 nan 8.290 nan 0.000 0.512 448 Q N -0.612 119.213 119.800 0.041 0.000 2.319 448 Q HA 0.548 4.893 4.340 0.008 0.000 0.173 448 Q C 0.239 176.258 176.000 0.032 0.000 1.112 448 Q CA 0.734 56.551 55.803 0.023 0.000 1.144 448 Q CB 0.336 29.076 28.738 0.003 0.000 1.765 448 Q HN 0.339 nan 8.270 nan 0.000 0.594 449 T N 1.180 115.751 114.554 0.027 0.000 2.847 449 T HA 0.474 4.829 4.350 0.008 0.000 0.291 449 T C -0.734 173.996 174.700 0.049 0.000 0.998 449 T CA -0.596 61.526 62.100 0.036 0.000 0.967 449 T CB 0.625 69.506 68.868 0.022 0.000 0.954 449 T HN 0.227 nan 8.240 nan 0.000 0.441 450 I N 4.151 124.764 120.570 0.072 0.000 2.362 450 I HA 0.473 4.648 4.170 0.008 0.000 0.289 450 I C -0.092 176.091 176.117 0.109 0.000 0.994 450 I CA -1.051 60.305 61.300 0.093 0.000 1.158 450 I CB 1.186 39.262 38.000 0.127 0.000 1.315 450 I HN 0.635 nan 8.210 nan 0.000 0.451 451 I N 4.947 125.587 120.570 0.116 0.000 2.377 451 I HA 0.380 4.555 4.170 0.008 0.000 0.293 451 I C 0.183 176.399 176.117 0.166 0.000 0.987 451 I CA -0.088 61.311 61.300 0.164 0.000 1.185 451 I CB 1.745 39.829 38.000 0.139 0.000 1.341 451 I HN 0.492 nan 8.210 nan 0.000 0.455 452 S N 2.888 118.708 115.700 0.201 0.000 2.542 452 S HA 0.887 5.362 4.470 0.008 0.000 0.293 452 S C 0.003 174.718 174.600 0.191 0.000 1.089 452 S CA -0.626 57.670 58.200 0.159 0.000 0.961 452 S CB 2.196 65.462 63.200 0.109 0.000 1.062 452 S HN 0.879 nan 8.310 nan 0.000 0.483 453 G N 0.393 109.265 108.800 0.120 0.000 2.976 453 G HA2 0.454 4.418 3.960 0.008 0.000 0.276 453 G HA3 0.454 4.418 3.960 0.008 0.000 0.276 453 G C -0.018 174.787 174.900 -0.158 0.000 1.207 453 G CA -0.656 44.455 45.100 0.019 0.000 0.803 453 G HN 0.575 nan 8.290 nan 0.000 0.572 454 M N 0.212 119.582 119.600 -0.383 0.000 2.492 454 M HA 0.334 4.819 4.480 0.008 0.000 0.255 454 M C 0.989 177.202 176.300 -0.145 0.000 1.139 454 M CA 0.992 56.125 55.300 -0.279 0.000 1.096 454 M CB 0.662 33.039 32.600 -0.370 0.000 1.360 454 M HN 0.709 nan 8.290 nan 0.000 0.480 455 G N -0.303 108.471 108.800 -0.043 0.000 2.341 455 G HA2 0.170 4.135 3.960 0.008 0.000 0.299 455 G HA3 0.170 4.135 3.960 0.008 0.000 0.299 455 G C -0.406 174.558 174.900 0.106 0.000 1.274 455 G CA -0.594 44.511 45.100 0.008 0.000 0.853 455 G HN 0.077 nan 8.290 nan 0.000 0.493 456 E N -0.869 119.404 120.200 0.122 0.000 2.017 456 E HA -0.074 4.281 4.350 0.008 0.000 0.193 456 E C 2.378 179.067 176.600 0.148 0.000 0.997 456 E CA 0.765 57.261 56.400 0.161 0.000 0.804 456 E CB -0.062 29.757 29.700 0.199 0.000 0.757 456 E HN 0.221 nan 8.360 nan 0.000 0.448 457 L N 0.838 122.150 121.223 0.148 0.000 2.083 457 L HA -0.196 4.149 4.340 0.008 0.000 0.209 457 L C 2.360 179.350 176.870 0.199 0.000 1.083 457 L CA 1.855 56.781 54.840 0.143 0.000 0.752 457 L CB -0.986 41.166 42.059 0.155 0.000 0.899 457 L HN 0.283 nan 8.230 nan 0.000 0.433 458 H N -1.070 118.126 119.070 0.211 0.000 2.390 458 H HA -0.189 4.371 4.556 0.007 0.000 0.298 458 H C 2.053 177.444 175.328 0.105 0.000 1.106 458 H CA 1.747 57.985 56.048 0.317 0.000 1.297 458 H CB 0.274 30.207 29.762 0.285 0.000 1.375 458 H HN 0.139 nan 8.280 nan 0.000 0.509 459 L N 0.519 121.837 121.223 0.159 0.000 2.253 459 L HA 0.028 4.373 4.340 0.008 0.000 0.205 459 L C 1.726 178.578 176.870 -0.030 0.000 1.078 459 L CA 1.344 56.214 54.840 0.050 0.000 0.805 459 L CB -0.621 41.510 42.059 0.118 0.000 0.963 459 L HN 0.444 nan 8.230 nan 0.000 0.459 460 E N -0.006 120.194 120.200 0.000 0.000 2.338 460 E HA -0.194 4.161 4.350 0.008 0.000 0.197 460 E C 1.816 178.368 176.600 -0.080 0.000 1.007 460 E CA 1.177 57.562 56.400 -0.025 0.000 0.849 460 E CB 0.100 29.804 29.700 0.007 0.000 0.774 460 E HN 0.612 nan 8.360 nan 0.000 0.506 461 I N -2.798 117.694 120.570 -0.130 0.000 3.265 461 I HA 0.019 4.193 4.170 0.008 0.000 0.282 461 I C 1.909 177.903 176.117 -0.204 0.000 1.207 461 I CA 0.553 61.742 61.300 -0.185 0.000 1.449 461 I CB -0.027 37.819 38.000 -0.257 0.000 1.121 461 I HN -0.090 nan 8.210 nan 0.000 0.442 462 I N 0.689 121.116 120.570 -0.239 0.000 2.252 462 I HA -0.185 3.989 4.170 0.008 0.000 0.245 462 I C 2.552 178.555 176.117 -0.191 0.000 1.102 462 I CA 1.054 62.188 61.300 -0.276 0.000 1.385 462 I CB -0.253 37.508 38.000 -0.398 0.000 1.064 462 I HN 0.115 nan 8.210 nan 0.000 0.414 463 V N 0.890 120.720 119.914 -0.140 0.000 2.255 463 V HA -0.359 3.766 4.120 0.008 0.000 0.247 463 V C 2.265 178.313 176.094 -0.076 0.000 1.051 463 V CA 2.448 64.692 62.300 -0.093 0.000 1.018 463 V CB -0.641 31.144 31.823 -0.062 0.000 0.641 463 V HN 0.471 nan 8.190 nan 0.000 0.445 464 D N -0.091 120.261 120.400 -0.080 0.000 2.144 464 D HA -0.183 4.461 4.640 0.008 0.000 0.199 464 D C 2.238 178.502 176.300 -0.061 0.000 0.984 464 D CA 1.042 55.002 54.000 -0.066 0.000 0.834 464 D CB -0.248 40.507 40.800 -0.075 0.000 0.955 464 D HN 0.213 nan 8.370 nan 0.000 0.465 465 R N -0.578 119.872 120.500 -0.084 0.000 2.343 465 R HA 0.015 4.360 4.340 0.008 0.000 0.202 465 R C 0.654 176.954 176.300 0.000 0.000 1.023 465 R CA 0.096 56.158 56.100 -0.062 0.000 1.084 465 R CB 0.051 30.289 30.300 -0.104 0.000 0.956 465 R HN 0.204 nan 8.270 nan 0.000 0.478 466 L N -0.955 120.267 121.223 -0.001 0.000 2.624 466 L HA 0.114 4.459 4.340 0.008 0.000 0.222 466 L C 1.635 178.540 176.870 0.058 0.000 1.046 466 L CA 1.005 55.873 54.840 0.046 0.000 0.872 466 L CB 0.143 42.184 42.059 -0.030 0.000 1.190 466 L HN -0.117 nan 8.230 nan 0.000 0.487 467 K N -0.576 119.833 120.400 0.015 0.000 2.167 467 K HA 0.031 4.355 4.320 0.008 0.000 0.203 467 K C 1.991 178.600 176.600 0.015 0.000 1.052 467 K CA 0.777 57.071 56.287 0.013 0.000 0.956 467 K CB 0.229 32.725 32.500 -0.005 0.000 0.735 467 K HN 0.188 nan 8.250 nan 0.000 0.451 468 R N 0.695 121.197 120.500 0.004 0.000 2.074 468 R HA 0.019 4.364 4.340 0.008 0.000 0.218 468 R C 2.184 178.478 176.300 -0.011 0.000 1.137 468 R CA 0.613 56.708 56.100 -0.008 0.000 0.998 468 R CB 0.217 30.503 30.300 -0.024 0.000 0.895 468 R HN 0.135 nan 8.270 nan 0.000 0.442 469 E N 0.003 120.199 120.200 -0.006 0.000 2.046 469 E HA -0.128 4.227 4.350 0.008 0.000 0.190 469 E C 1.511 178.075 176.600 -0.060 0.000 0.982 469 E CA 1.080 57.455 56.400 -0.041 0.000 0.800 469 E CB -0.063 29.615 29.700 -0.036 0.000 0.756 469 E HN 0.182 nan 8.360 nan 0.000 0.449 470 F N 0.647 120.573 119.950 -0.039 0.000 2.727 470 F HA 0.198 4.730 4.527 0.009 0.000 0.302 470 F C 0.320 176.106 175.800 -0.023 0.000 1.097 470 F CA 0.047 58.030 58.000 -0.028 0.000 1.330 470 F CB 0.234 39.217 39.000 -0.029 0.000 1.084 470 F HN -0.186 nan 8.300 nan 0.000 0.578 471 K N 0.618 121.100 120.400 0.136 0.000 3.148 471 K HA -0.150 4.175 4.320 0.008 0.000 0.267 471 K C -0.989 175.662 176.600 0.084 0.000 0.996 471 K CA 0.145 56.480 56.287 0.080 0.000 0.737 471 K CB -1.706 30.822 32.500 0.047 0.000 1.308 471 K HN -0.027 nan 8.250 nan 0.000 0.470 472 V N 1.555 121.516 119.914 0.078 0.000 2.347 472 V HA 0.180 4.305 4.120 0.008 0.000 0.280 472 V C 0.086 176.189 176.094 0.015 0.000 1.021 472 V CA -0.719 61.604 62.300 0.038 0.000 0.847 472 V CB 1.619 33.448 31.823 0.009 0.000 0.990 472 V HN 0.127 nan 8.190 nan 0.000 0.444 473 D N 4.471 124.877 120.400 0.010 0.000 2.317 473 D HA 0.774 5.419 4.640 0.008 0.000 0.234 473 D C 0.068 176.366 176.300 -0.004 0.000 1.112 473 D CA 0.324 54.325 54.000 0.002 0.000 0.840 473 D CB 1.967 42.769 40.800 0.003 0.000 1.078 473 D HN 0.806 nan 8.370 nan 0.000 0.486 474 A N 2.832 125.647 122.820 -0.008 0.000 2.581 474 A HA 0.552 4.877 4.320 0.008 0.000 0.290 474 A C -1.057 176.520 177.584 -0.013 0.000 1.119 474 A CA -0.888 51.142 52.037 -0.011 0.000 0.670 474 A CB 1.322 20.312 19.000 -0.015 0.000 1.280 474 A HN 0.332 nan 8.150 nan 0.000 0.425 475 N N -0.226 118.467 118.700 -0.013 0.000 2.430 475 N HA 0.587 5.332 4.740 0.008 0.000 0.292 475 N C -1.268 174.234 175.510 -0.015 0.000 1.051 475 N CA -0.138 52.904 53.050 -0.013 0.000 0.917 475 N CB 1.806 40.285 38.487 -0.013 0.000 1.164 475 N HN 0.378 nan 8.380 nan 0.000 0.484 476 V N 0.908 120.813 119.914 -0.015 0.000 2.487 476 V HA 0.582 4.707 4.120 0.008 0.000 0.298 476 V C 0.861 176.947 176.094 -0.014 0.000 1.028 476 V CA -0.870 61.422 62.300 -0.014 0.000 0.860 476 V CB 1.569 33.383 31.823 -0.015 0.000 0.991 476 V HN 0.718 nan 8.190 nan 0.000 0.427 477 G N 3.384 112.177 108.800 -0.012 0.000 2.537 477 G HA2 0.350 4.315 3.960 0.008 0.000 0.273 477 G HA3 0.350 4.315 3.960 0.008 0.000 0.273 477 G C -0.258 174.633 174.900 -0.015 0.000 1.189 477 G CA -0.655 44.436 45.100 -0.015 0.000 0.881 477 G HN 0.553 nan 8.290 nan 0.000 0.535 478 K N 1.492 121.876 120.400 -0.028 0.000 2.416 478 K HA 0.135 4.459 4.320 0.008 0.000 0.283 478 K C -2.115 174.463 176.600 -0.037 0.000 1.037 478 K CA -1.063 55.193 56.287 -0.051 0.000 0.995 478 K CB 0.752 33.201 32.500 -0.085 0.000 0.938 478 K HN 0.214 nan 8.250 nan 0.000 0.475 479 P HA -0.094 nan 4.420 nan 0.000 0.264 479 P C -0.377 176.969 177.300 0.077 0.000 1.173 479 P CA 0.576 63.707 63.100 0.052 0.000 0.761 479 P CB 0.492 32.252 31.700 0.100 0.000 0.794 480 Q N 1.170 121.086 119.800 0.193 0.000 2.309 480 Q HA 0.305 4.649 4.340 0.008 0.000 0.273 480 Q C -1.335 174.789 176.000 0.207 0.000 1.040 480 Q CA -0.898 55.055 55.803 0.251 0.000 0.834 480 Q CB 2.911 31.779 28.738 0.216 0.000 1.345 480 Q HN 0.293 nan 8.270 nan 0.000 0.414 481 V N 2.446 122.443 119.914 0.139 0.000 2.585 481 V HA 0.428 4.552 4.120 0.008 0.000 0.296 481 V C -0.243 175.594 176.094 -0.428 0.000 1.035 481 V CA 0.307 62.482 62.300 -0.208 0.000 1.084 481 V CB 0.730 32.285 31.823 -0.448 0.000 0.953 481 V HN 0.784 nan 8.190 nan 0.000 0.483 482 A N 7.270 129.873 122.820 -0.361 0.000 2.457 482 A HA 0.502 4.826 4.320 0.008 0.000 0.298 482 A C -0.502 176.781 177.584 -0.502 0.000 1.288 482 A CA -0.212 51.609 52.037 -0.359 0.000 0.956 482 A CB -0.475 18.486 19.000 -0.065 0.000 1.135 482 A HN 0.886 nan 8.150 nan 0.000 0.535 483 Y N 1.676 121.511 120.300 -0.776 0.000 2.340 483 Y HA 0.610 5.165 4.550 0.007 0.000 0.327 483 Y C 1.052 176.862 175.900 -0.150 0.000 1.321 483 Y CA -0.121 57.739 58.100 -0.399 0.000 1.433 483 Y CB 0.799 38.970 38.460 -0.481 0.000 1.373 483 Y HN 0.540 nan 8.280 nan 0.000 0.538 484 R N 0.467 121.069 120.500 0.170 0.000 2.808 484 R HA 0.466 4.811 4.340 0.008 0.000 0.272 484 R C -1.327 175.033 176.300 0.099 0.000 0.995 484 R CA -1.086 55.053 56.100 0.064 0.000 0.917 484 R CB 1.990 32.181 30.300 -0.182 0.000 1.217 484 R HN 0.753 nan 8.270 nan 0.000 0.471 485 E N -0.072 120.170 120.200 0.070 0.000 2.312 485 E HA 0.588 4.942 4.350 0.008 0.000 0.267 485 E C -0.932 175.691 176.600 0.038 0.000 0.894 485 E CA -0.675 55.763 56.400 0.064 0.000 0.773 485 E CB 2.821 32.567 29.700 0.077 0.000 1.241 485 E HN 0.404 nan 8.360 nan 0.000 0.432 486 T N 0.701 115.280 114.554 0.041 0.000 2.827 486 T HA 0.401 4.755 4.350 0.008 0.000 0.328 486 T C -1.395 173.328 174.700 0.039 0.000 1.598 486 T CA -0.705 61.418 62.100 0.039 0.000 1.043 486 T CB 0.727 69.617 68.868 0.035 0.000 1.447 486 T HN 0.500 nan 8.240 nan 0.000 0.491 487 I N 1.095 121.689 120.570 0.040 0.000 2.713 487 I HA 0.616 4.790 4.170 0.008 0.000 0.300 487 I C 1.326 177.462 176.117 0.031 0.000 1.009 487 I CA -0.494 60.827 61.300 0.035 0.000 1.305 487 I CB 1.532 39.554 38.000 0.038 0.000 1.430 487 I HN 0.761 nan 8.210 nan 0.000 0.546 488 T N -0.099 114.471 114.554 0.026 0.000 3.000 488 T HA 0.218 4.572 4.350 0.008 0.000 0.248 488 T C 0.454 175.164 174.700 0.018 0.000 1.034 488 T CA 0.019 62.132 62.100 0.022 0.000 1.060 488 T CB -0.105 68.775 68.868 0.020 0.000 0.983 488 T HN 0.822 nan 8.240 nan 0.000 0.482 489 K N 1.198 121.608 120.400 0.017 0.000 2.482 489 K HA 0.677 5.002 4.320 0.008 0.000 0.257 489 K C -3.390 173.219 176.600 0.014 0.000 0.969 489 K CA -2.411 53.884 56.287 0.013 0.000 0.842 489 K CB 1.851 34.357 32.500 0.011 0.000 1.359 489 K HN -0.182 nan 8.250 nan 0.000 0.441 490 P HA 0.090 nan 4.420 nan 0.000 0.280 490 P C -0.533 176.771 177.300 0.008 0.000 1.244 490 P CA -0.433 62.670 63.100 0.005 0.000 0.784 490 P CB 1.228 32.923 31.700 -0.008 0.000 0.913 491 V N -0.804 119.120 119.914 0.016 0.000 3.141 491 V HA 0.684 4.809 4.120 0.008 0.000 0.312 491 V C -0.830 175.284 176.094 0.032 0.000 1.157 491 V CA -0.871 61.443 62.300 0.023 0.000 1.041 491 V CB 2.453 34.295 31.823 0.033 0.000 1.071 491 V HN 0.439 nan 8.190 nan 0.000 0.441 492 D N 1.197 121.624 120.400 0.045 0.000 2.542 492 D HA 0.632 5.277 4.640 0.008 0.000 0.252 492 D C -0.783 175.582 176.300 0.109 0.000 1.222 492 D CA -0.048 53.998 54.000 0.077 0.000 0.895 492 D CB 1.739 42.565 40.800 0.044 0.000 1.207 492 D HN 1.014 nan 8.370 nan 0.000 0.558 493 V N 0.933 120.926 119.914 0.133 0.000 3.102 493 V HA 0.864 4.988 4.120 0.008 0.000 0.312 493 V C -0.874 175.291 176.094 0.118 0.000 1.135 493 V CA -0.986 61.381 62.300 0.111 0.000 1.022 493 V CB 1.948 33.822 31.823 0.085 0.000 1.056 493 V HN 0.550 nan 8.190 nan 0.000 0.436 494 E N 1.168 121.427 120.200 0.099 0.000 2.312 494 E HA 0.831 5.185 4.350 0.008 0.000 0.267 494 E C -0.460 176.195 176.600 0.092 0.000 0.894 494 E CA -0.890 55.569 56.400 0.099 0.000 0.773 494 E CB 2.372 32.156 29.700 0.140 0.000 1.241 494 E HN 1.253 nan 8.360 nan 0.000 0.432 495 G N 1.855 110.714 108.800 0.098 0.000 2.666 495 G HA2 0.496 4.461 3.960 0.008 0.000 0.303 495 G HA3 0.496 4.461 3.960 0.008 0.000 0.303 495 G C -1.171 173.777 174.900 0.079 0.000 1.412 495 G CA -0.791 44.353 45.100 0.073 0.000 0.979 495 G HN 0.336 nan 8.290 nan 0.000 0.507 496 K N 0.773 121.186 120.400 0.023 0.000 2.328 496 K HA 0.575 4.900 4.320 0.008 0.000 0.246 496 K C -1.877 174.702 176.600 -0.034 0.000 0.955 496 K CA -0.908 55.333 56.287 -0.077 0.000 0.817 496 K CB 2.863 35.243 32.500 -0.200 0.000 1.208 496 K HN 0.359 nan 8.250 nan 0.000 0.432 497 F N 3.537 123.296 119.950 -0.319 0.000 2.959 497 F HA 0.416 4.947 4.527 0.007 0.000 0.379 497 F C -1.496 174.113 175.800 -0.317 0.000 1.215 497 F CA -0.598 57.244 58.000 -0.263 0.000 1.190 497 F CB 0.481 39.355 39.000 -0.210 0.000 1.574 497 F HN 0.325 nan 8.300 nan 0.000 0.575 498 I N 6.087 126.281 120.570 -0.627 0.000 2.405 498 I HA 0.540 4.715 4.170 0.008 0.000 0.280 498 I C -0.350 175.445 176.117 -0.537 0.000 1.027 498 I CA -0.309 60.678 61.300 -0.521 0.000 1.161 498 I CB 1.098 38.880 38.000 -0.364 0.000 1.300 498 I HN 0.453 nan 8.210 nan 0.000 0.463 499 R N 3.609 123.761 120.500 -0.580 0.000 2.764 499 R HA 0.442 4.787 4.340 0.008 0.000 0.270 499 R C -1.087 175.061 176.300 -0.253 0.000 1.014 499 R CA -1.043 54.789 56.100 -0.448 0.000 0.904 499 R CB 2.126 32.048 30.300 -0.630 0.000 1.236 499 R HN 0.360 nan 8.270 nan 0.000 0.466 500 Q N 1.676 121.378 119.800 -0.162 0.000 2.569 500 Q HA 0.231 4.576 4.340 0.008 0.000 0.226 500 Q C -0.952 175.015 176.000 -0.055 0.000 1.136 500 Q CA 0.101 55.848 55.803 -0.093 0.000 0.947 500 Q CB 1.504 30.198 28.738 -0.074 0.000 1.218 500 Q HN 0.499 nan 8.270 nan 0.000 0.547 501 T N -0.255 114.283 114.554 -0.026 0.000 2.821 501 T HA 0.479 4.834 4.350 0.008 0.000 0.307 501 T C 0.618 175.334 174.700 0.026 0.000 1.034 501 T CA -0.292 61.819 62.100 0.018 0.000 0.953 501 T CB 1.211 70.128 68.868 0.083 0.000 0.968 501 T HN 0.699 nan 8.240 nan 0.000 0.462 502 G N 1.906 110.716 108.800 0.017 0.000 2.368 502 G HA2 0.142 4.106 3.960 0.008 0.000 0.290 502 G HA3 0.142 4.106 3.960 0.008 0.000 0.290 502 G C 1.074 175.983 174.900 0.014 0.000 1.098 502 G CA 0.189 45.300 45.100 0.018 0.000 1.073 502 G HN 1.695 nan 8.290 nan 0.000 0.511 503 G N -0.600 108.203 108.800 0.006 0.000 2.458 503 G HA2 -0.178 3.787 3.960 0.008 0.000 0.237 503 G HA3 -0.178 3.787 3.960 0.008 0.000 0.237 503 G C 0.685 175.586 174.900 0.001 0.000 1.113 503 G CA 1.370 46.472 45.100 0.004 0.000 0.655 503 G HN 1.992 nan 8.290 nan 0.000 0.513 504 R N 0.429 120.933 120.500 0.006 0.000 2.856 504 R HA 0.704 5.049 4.340 0.008 0.000 0.258 504 R C 0.363 176.656 176.300 -0.012 0.000 1.066 504 R CA -0.322 55.780 56.100 0.004 0.000 1.045 504 R CB 1.128 31.441 30.300 0.022 0.000 1.178 504 R HN 0.651 nan 8.270 nan 0.000 0.499 505 G N 0.599 109.382 108.800 -0.029 0.000 2.367 505 G HA2 0.359 4.323 3.960 0.008 0.000 0.314 505 G HA3 0.359 4.323 3.960 0.008 0.000 0.314 505 G C -0.877 174.002 174.900 -0.035 0.000 1.130 505 G CA -0.637 44.424 45.100 -0.065 0.000 0.864 505 G HN 0.383 nan 8.290 nan 0.000 0.486 506 Q N 0.407 120.178 119.800 -0.048 0.000 2.353 506 Q HA 0.360 4.705 4.340 0.008 0.000 0.268 506 Q C -1.919 174.079 176.000 -0.003 0.000 1.045 506 Q CA -0.773 55.039 55.803 0.016 0.000 0.811 506 Q CB 3.030 31.827 28.738 0.098 0.000 1.305 506 Q HN 0.637 nan 8.270 nan 0.000 0.447 507 Y N -0.207 120.032 120.300 -0.103 0.000 2.361 507 Y HA 0.583 5.137 4.550 0.006 0.000 0.328 507 Y C -0.775 174.919 175.900 -0.344 0.000 1.044 507 Y CA -0.447 57.561 58.100 -0.154 0.000 1.085 507 Y CB 1.974 40.393 38.460 -0.067 0.000 1.194 507 Y HN 0.702 nan 8.280 nan 0.000 0.438 508 G N 4.278 112.685 108.800 -0.655 0.000 2.719 508 G HA2 0.418 4.383 3.960 0.008 0.000 0.298 508 G HA3 0.418 4.383 3.960 0.008 0.000 0.298 508 G C -2.461 172.050 174.900 -0.647 0.000 1.433 508 G CA -0.659 43.759 45.100 -1.137 0.000 1.034 508 G HN 0.751 nan 8.290 nan 0.000 0.517 509 H N 1.212 119.958 119.070 -0.540 0.000 3.181 509 H HA 0.511 5.071 4.556 0.007 0.000 0.331 509 H C -1.319 174.060 175.328 0.085 0.000 0.988 509 H CA -0.700 55.256 56.048 -0.152 0.000 1.449 509 H CB 1.994 31.720 29.762 -0.060 0.000 1.749 509 H HN 0.629 nan 8.280 nan 0.000 0.501 510 V N 2.405 122.288 119.914 -0.053 0.000 2.735 510 V HA 0.603 4.728 4.120 0.008 0.000 0.310 510 V C -0.955 175.047 176.094 -0.154 0.000 1.061 510 V CA -0.946 61.310 62.300 -0.074 0.000 0.913 510 V CB 2.149 34.033 31.823 0.101 0.000 1.005 510 V HN 0.634 nan 8.190 nan 0.000 0.428 511 K N 5.261 125.514 120.400 -0.245 0.000 2.535 511 K HA 0.659 4.984 4.320 0.008 0.000 0.253 511 K C -0.977 175.537 176.600 -0.143 0.000 0.953 511 K CA -0.403 55.730 56.287 -0.257 0.000 0.863 511 K CB 2.181 34.349 32.500 -0.553 0.000 1.111 511 K HN 0.925 nan 8.250 nan 0.000 0.431 512 I N -0.995 119.663 120.570 0.147 0.000 2.693 512 I HA 0.515 4.690 4.170 0.008 0.000 0.303 512 I C -0.733 175.572 176.117 0.314 0.000 1.025 512 I CA -1.104 60.351 61.300 0.258 0.000 1.086 512 I CB 1.756 39.867 38.000 0.184 0.000 1.268 512 I HN 0.198 nan 8.210 nan 0.000 0.440 513 K N 3.853 124.378 120.400 0.209 0.000 2.339 513 K HA 0.660 4.984 4.320 0.008 0.000 0.264 513 K C -1.341 175.280 176.600 0.035 0.000 0.986 513 K CA -0.650 55.668 56.287 0.052 0.000 0.866 513 K CB 2.338 34.776 32.500 -0.104 0.000 1.103 513 K HN 0.457 nan 8.250 nan 0.000 0.441 514 V N 2.983 122.924 119.914 0.044 0.000 2.628 514 V HA 0.392 4.516 4.120 0.008 0.000 0.306 514 V C -0.252 175.858 176.094 0.026 0.000 1.045 514 V CA -0.779 61.551 62.300 0.049 0.000 0.905 514 V CB 1.630 33.502 31.823 0.082 0.000 0.997 514 V HN 0.875 nan 8.190 nan 0.000 0.436 515 E N 4.388 124.600 120.200 0.020 0.000 2.416 515 E HA 0.657 5.012 4.350 0.008 0.000 0.273 515 E C -3.148 173.465 176.600 0.022 0.000 0.935 515 E CA -2.506 53.901 56.400 0.012 0.000 0.784 515 E CB 2.626 32.321 29.700 -0.009 0.000 1.301 515 E HN 0.364 nan 8.360 nan 0.000 0.454 516 P HA 0.140 nan 4.420 nan 0.000 0.271 516 P C -1.116 176.195 177.300 0.018 0.000 1.218 516 P CA -0.449 62.666 63.100 0.025 0.000 0.780 516 P CB 0.427 32.139 31.700 0.020 0.000 0.901 517 L N 5.039 126.277 121.223 0.025 0.000 2.346 517 L HA 0.582 4.927 4.340 0.008 0.000 0.274 517 L C -2.309 174.573 176.870 0.021 0.000 1.007 517 L CA -2.628 52.222 54.840 0.018 0.000 0.818 517 L CB 1.016 43.090 42.059 0.025 0.000 1.284 517 L HN 0.272 nan 8.230 nan 0.000 0.424 518 P HA -0.049 nan 4.420 nan 0.000 0.268 518 P C -0.779 176.537 177.300 0.027 0.000 1.189 518 P CA -0.204 62.906 63.100 0.016 0.000 0.771 518 P CB 0.283 31.989 31.700 0.009 0.000 0.822 519 R N 1.695 122.214 120.500 0.031 0.000 2.522 519 R HA 0.318 4.663 4.340 0.008 0.000 0.284 519 R C 1.511 177.847 176.300 0.061 0.000 1.032 519 R CA 1.545 57.675 56.100 0.050 0.000 1.049 519 R CB -1.151 29.184 30.300 0.058 0.000 0.956 519 R HN 0.839 nan 8.270 nan 0.000 0.422 520 G N 2.046 110.887 108.800 0.069 0.000 2.179 520 G HA2 -0.306 3.659 3.960 0.008 0.000 0.260 520 G HA3 -0.306 3.659 3.960 0.008 0.000 0.260 520 G C 0.771 175.706 174.900 0.060 0.000 0.977 520 G CA 0.576 45.724 45.100 0.080 0.000 0.641 520 G HN 0.589 nan 8.290 nan 0.000 0.533 521 S N 0.254 115.982 115.700 0.047 0.000 2.496 521 S HA 0.403 4.878 4.470 0.008 0.000 0.224 521 S C 2.115 176.746 174.600 0.051 0.000 0.996 521 S CA 1.383 59.607 58.200 0.041 0.000 0.927 521 S CB -0.044 63.172 63.200 0.028 0.000 0.774 521 S HN 2.276 nan 8.310 nan 0.000 0.524 522 G N 1.735 110.572 108.800 0.063 0.000 2.509 522 G HA2 -0.270 3.694 3.960 0.008 0.000 0.256 522 G HA3 -0.270 3.694 3.960 0.008 0.000 0.256 522 G C -0.424 174.583 174.900 0.178 0.000 1.152 522 G CA -0.028 45.131 45.100 0.099 0.000 0.951 522 G HN 0.381 nan 8.290 nan 0.000 0.559 523 F N 2.629 122.591 119.950 0.020 0.000 2.425 523 F HA 0.773 5.305 4.527 0.007 0.000 0.331 523 F C 0.114 175.946 175.800 0.053 0.000 1.085 523 F CA -0.611 57.412 58.000 0.038 0.000 1.028 523 F CB 1.874 40.897 39.000 0.038 0.000 1.177 523 F HN 0.694 nan 8.300 nan 0.000 0.487 524 E N 5.330 125.062 120.200 -0.780 0.000 2.287 524 E HA 0.290 4.645 4.350 0.008 0.000 0.274 524 E C -2.180 173.924 176.600 -0.826 0.000 0.896 524 E CA -0.572 55.430 56.400 -0.664 0.000 0.788 524 E CB 1.425 30.964 29.700 -0.269 0.000 1.244 524 E HN 0.552 nan 8.360 nan 0.000 0.408 525 F N 4.622 124.108 119.950 -0.774 0.000 2.482 525 F HA 0.591 5.124 4.527 0.011 0.000 0.331 525 F C -1.403 174.290 175.800 -0.179 0.000 1.115 525 F CA -0.555 57.207 58.000 -0.397 0.000 0.955 525 F CB 1.236 40.107 39.000 -0.216 0.000 1.136 525 F HN 0.206 nan 8.300 nan 0.000 0.452 526 V N 5.153 124.560 119.914 -0.846 0.000 2.540 526 V HA 0.336 4.461 4.120 0.008 0.000 0.302 526 V C -0.782 174.872 176.094 -0.733 0.000 1.035 526 V CA -0.955 61.011 62.300 -0.556 0.000 0.873 526 V CB 1.740 33.372 31.823 -0.317 0.000 0.992 526 V HN 0.724 nan 8.190 nan 0.000 0.428 527 N N 3.183 121.702 118.700 -0.301 0.000 2.426 527 N HA 0.603 5.348 4.740 0.008 0.000 0.275 527 N C -0.103 175.365 175.510 -0.069 0.000 1.019 527 N CA -0.185 52.794 53.050 -0.117 0.000 0.941 527 N CB 1.873 40.408 38.487 0.080 0.000 1.123 527 N HN 0.831 nan 8.380 nan 0.000 0.486 528 A N 4.602 127.399 122.820 -0.037 0.000 2.795 528 A HA 0.298 4.622 4.320 0.008 0.000 0.282 528 A C -0.400 177.206 177.584 0.036 0.000 0.964 528 A CA -0.453 51.586 52.037 0.003 0.000 1.045 528 A CB -0.213 18.795 19.000 0.014 0.000 1.174 528 A HN 0.517 nan 8.150 nan 0.000 0.493 529 I N 1.403 121.989 120.570 0.026 0.000 2.396 529 I HA 0.112 4.287 4.170 0.008 0.000 0.289 529 I C 1.419 177.550 176.117 0.023 0.000 1.056 529 I CA 0.388 61.703 61.300 0.025 0.000 1.365 529 I CB 0.762 38.772 38.000 0.017 0.000 1.407 529 I HN 0.151 nan 8.210 nan 0.000 0.509 530 V N 6.637 126.569 119.914 0.031 0.000 2.298 530 V HA 0.030 4.155 4.120 0.008 0.000 0.226 530 V C 1.695 177.805 176.094 0.026 0.000 1.053 530 V CA 1.285 63.603 62.300 0.030 0.000 1.029 530 V CB -0.778 31.069 31.823 0.039 0.000 0.659 530 V HN 0.890 nan 8.190 nan 0.000 0.470 531 G N -0.603 108.218 108.800 0.036 0.000 3.782 531 G HA2 0.430 4.395 3.960 0.008 0.000 0.288 531 G HA3 0.430 4.395 3.960 0.008 0.000 0.288 531 G C 0.998 175.925 174.900 0.045 0.000 1.300 531 G CA 0.313 45.436 45.100 0.039 0.000 1.261 531 G HN 1.186 nan 8.290 nan 0.000 0.591 532 G N -0.487 108.326 108.800 0.022 0.000 2.305 532 G HA2 -0.310 3.654 3.960 0.008 0.000 0.287 532 G HA3 -0.310 3.654 3.960 0.008 0.000 0.287 532 G C 1.134 176.055 174.900 0.035 0.000 1.036 532 G CA 0.383 45.482 45.100 -0.002 0.000 0.887 532 G HN 0.588 nan 8.290 nan 0.000 0.505 533 V N -0.699 119.256 119.914 0.068 0.000 2.343 533 V HA 0.010 4.135 4.120 0.008 0.000 0.247 533 V C 1.647 177.837 176.094 0.159 0.000 1.051 533 V CA 1.937 64.325 62.300 0.146 0.000 1.036 533 V CB -0.163 31.716 31.823 0.093 0.000 0.654 533 V HN 0.549 nan 8.190 nan 0.000 0.451 534 I N 2.110 122.693 120.570 0.021 0.000 2.405 534 I HA 0.326 4.501 4.170 0.008 0.000 0.280 534 I C -2.395 173.604 176.117 -0.197 0.000 1.027 534 I CA -2.068 59.182 61.300 -0.083 0.000 1.161 534 I CB 1.648 39.613 38.000 -0.057 0.000 1.300 534 I HN 0.085 nan 8.210 nan 0.000 0.463 535 P HA -0.069 nan 4.420 nan 0.000 0.264 535 P C 0.658 177.809 177.300 -0.248 0.000 1.173 535 P CA 0.117 63.033 63.100 -0.307 0.000 0.761 535 P CB 0.804 32.266 31.700 -0.396 0.000 0.794 536 K N 2.217 122.497 120.400 -0.199 0.000 2.097 536 K HA -0.273 4.051 4.320 0.008 0.000 0.214 536 K C 1.684 178.152 176.600 -0.221 0.000 1.052 536 K CA 2.318 58.505 56.287 -0.167 0.000 0.932 536 K CB -0.172 32.249 32.500 -0.132 0.000 0.716 536 K HN 0.512 nan 8.250 nan 0.000 0.455 537 E N -0.185 119.806 120.200 -0.349 0.000 2.058 537 E HA -0.192 4.162 4.350 0.008 0.000 0.194 537 E C 1.701 178.060 176.600 -0.402 0.000 0.997 537 E CA 1.497 57.638 56.400 -0.433 0.000 0.801 537 E CB -0.397 28.906 29.700 -0.662 0.000 0.746 537 E HN 0.408 nan 8.360 nan 0.000 0.450 538 Y N 0.273 120.413 120.300 -0.267 0.000 2.578 538 Y HA 0.006 4.558 4.550 0.004 0.000 0.297 538 Y C 1.587 177.321 175.900 -0.276 0.000 1.176 538 Y CA -0.082 57.806 58.100 -0.352 0.000 1.315 538 Y CB -0.154 37.801 38.460 -0.842 0.000 1.031 538 Y HN 0.068 nan 8.280 nan 0.000 0.524 539 I N 0.989 121.503 120.570 -0.094 0.000 2.233 539 I HA -0.123 4.052 4.170 0.008 0.000 0.243 539 I C -0.252 175.833 176.117 -0.053 0.000 1.093 539 I CA 0.907 62.180 61.300 -0.045 0.000 1.380 539 I CB -2.431 35.559 38.000 -0.016 0.000 1.067 539 I HN 0.080 nan 8.210 nan 0.000 0.413 540 P HA -0.182 nan 4.420 nan 0.000 0.216 540 P C 1.651 178.920 177.300 -0.053 0.000 1.153 540 P CA 2.261 65.319 63.100 -0.070 0.000 0.858 540 P CB -0.029 31.639 31.700 -0.054 0.000 0.789 541 A N -0.246 122.575 122.820 0.002 0.000 1.940 541 A HA -0.154 4.171 4.320 0.008 0.000 0.219 541 A C 2.514 180.128 177.584 0.050 0.000 1.176 541 A CA 1.994 54.064 52.037 0.054 0.000 0.631 541 A CB -1.682 17.414 19.000 0.161 0.000 0.814 541 A HN 0.091 nan 8.150 nan 0.000 0.446 542 V N -0.117 119.830 119.914 0.054 0.000 2.358 542 V HA -0.302 3.823 4.120 0.008 0.000 0.246 542 V C 2.646 178.707 176.094 -0.055 0.000 1.047 542 V CA 2.227 64.565 62.300 0.064 0.000 1.035 542 V CB -0.816 31.079 31.823 0.120 0.000 0.658 542 V HN 0.659 nan 8.190 nan 0.000 0.452 543 Q N -0.201 119.487 119.800 -0.187 0.000 2.050 543 Q HA -0.255 4.090 4.340 0.008 0.000 0.202 543 Q C 2.380 178.282 176.000 -0.163 0.000 0.980 543 Q CA 1.717 57.337 55.803 -0.305 0.000 0.840 543 Q CB -0.270 28.219 28.738 -0.415 0.000 0.898 543 Q HN 0.552 nan 8.270 nan 0.000 0.424 544 K N 0.335 120.669 120.400 -0.110 0.000 2.063 544 K HA -0.160 4.165 4.320 0.008 0.000 0.208 544 K C 2.054 178.605 176.600 -0.082 0.000 1.048 544 K CA 1.456 57.692 56.287 -0.084 0.000 0.928 544 K CB -0.318 32.150 32.500 -0.054 0.000 0.713 544 K HN 0.281 nan 8.250 nan 0.000 0.442 545 G N 1.118 109.881 108.800 -0.062 0.000 2.408 545 G HA2 -0.191 3.774 3.960 0.008 0.000 0.217 545 G HA3 -0.191 3.774 3.960 0.008 0.000 0.217 545 G C 1.486 176.346 174.900 -0.067 0.000 1.150 545 G CA 0.706 45.770 45.100 -0.061 0.000 0.776 545 G HN 0.243 nan 8.290 nan 0.000 0.542 546 I N 0.463 120.995 120.570 -0.064 0.000 2.142 546 I HA -0.178 3.996 4.170 0.008 0.000 0.240 546 I C 2.658 178.689 176.117 -0.144 0.000 1.078 546 I CA 1.681 62.944 61.300 -0.062 0.000 1.343 546 I CB -0.270 37.729 38.000 -0.002 0.000 1.046 546 I HN 0.307 nan 8.210 nan 0.000 0.405 547 E N 1.273 121.350 120.200 -0.205 0.000 2.070 547 E HA -0.297 4.057 4.350 0.008 0.000 0.197 547 E C 2.019 178.514 176.600 -0.175 0.000 1.004 547 E CA 1.845 58.094 56.400 -0.253 0.000 0.805 547 E CB -0.055 29.513 29.700 -0.220 0.000 0.744 547 E HN 0.499 nan 8.360 nan 0.000 0.451 548 E N -0.242 119.880 120.200 -0.131 0.000 2.110 548 E HA -0.169 4.186 4.350 0.008 0.000 0.193 548 E C 1.972 178.508 176.600 -0.105 0.000 0.988 548 E CA 0.837 57.171 56.400 -0.110 0.000 0.804 548 E CB -0.093 29.550 29.700 -0.094 0.000 0.745 548 E HN 0.394 nan 8.360 nan 0.000 0.458 549 A N 0.790 123.552 122.820 -0.097 0.000 2.067 549 A HA -0.023 4.302 4.320 0.008 0.000 0.217 549 A C 1.978 179.514 177.584 -0.081 0.000 1.156 549 A CA 0.589 52.578 52.037 -0.080 0.000 0.683 549 A CB -0.206 18.759 19.000 -0.058 0.000 0.808 549 A HN 0.122 nan 8.150 nan 0.000 0.455 550 M N -0.438 119.098 119.600 -0.108 0.000 2.659 550 M HA -0.060 4.425 4.480 0.008 0.000 0.243 550 M C 1.661 177.898 176.300 -0.104 0.000 1.111 550 M CA 0.615 55.846 55.300 -0.114 0.000 1.070 550 M CB -0.094 32.389 32.600 -0.195 0.000 1.525 550 M HN 0.530 nan 8.290 nan 0.000 0.517 551 Q N -1.170 118.566 119.800 -0.107 0.000 2.302 551 Q HA 0.071 4.415 4.340 0.008 0.000 0.202 551 Q C 0.457 176.390 176.000 -0.111 0.000 0.936 551 Q CA 0.483 56.223 55.803 -0.106 0.000 0.886 551 Q CB 0.569 29.232 28.738 -0.124 0.000 0.986 551 Q HN 0.118 nan 8.270 nan 0.000 0.487 552 S N 0.584 116.220 115.700 -0.106 0.000 2.542 552 S HA 0.447 4.922 4.470 0.008 0.000 0.245 552 S C -0.276 174.288 174.600 -0.061 0.000 1.325 552 S CA -0.600 57.531 58.200 -0.115 0.000 1.176 552 S CB 0.625 63.737 63.200 -0.146 0.000 1.045 552 S HN 0.354 nan 8.310 nan 0.000 0.481 553 G N 3.402 112.188 108.800 -0.023 0.000 2.636 553 G HA2 0.382 4.347 3.960 0.008 0.000 0.246 553 G HA3 0.382 4.347 3.960 0.008 0.000 0.246 553 G C -2.323 172.580 174.900 0.005 0.000 1.216 553 G CA -1.173 43.931 45.100 0.007 0.000 0.854 553 G HN 0.471 nan 8.290 nan 0.000 0.572 554 P HA 0.242 nan 4.420 nan 0.000 0.243 554 P C 0.683 177.993 177.300 0.016 0.000 1.672 554 P CA 0.016 63.121 63.100 0.009 0.000 1.000 554 P CB 0.224 31.929 31.700 0.009 0.000 1.562 555 L N -0.538 120.701 121.223 0.027 0.000 2.638 555 L HA 0.344 4.689 4.340 0.008 0.000 0.195 555 L C 1.724 178.615 176.870 0.037 0.000 1.065 555 L CA 0.512 55.369 54.840 0.027 0.000 0.859 555 L CB 0.192 42.267 42.059 0.028 0.000 1.269 555 L HN -0.141 nan 8.230 nan 0.000 0.484 556 I N -5.192 115.422 120.570 0.072 0.000 4.620 556 I HA 0.503 4.678 4.170 0.008 0.000 0.347 556 I C 1.007 177.159 176.117 0.059 0.000 1.302 556 I CA 0.373 61.739 61.300 0.110 0.000 1.277 556 I CB 1.169 39.292 38.000 0.204 0.000 1.566 556 I HN 0.174 nan 8.210 nan 0.000 0.547 557 G N 1.711 110.517 108.800 0.011 0.000 2.141 557 G HA2 -0.250 3.715 3.960 0.008 0.000 0.242 557 G HA3 -0.250 3.715 3.960 0.008 0.000 0.242 557 G C -0.195 174.561 174.900 -0.240 0.000 0.982 557 G CA -0.158 44.868 45.100 -0.123 0.000 0.662 557 G HN 0.308 nan 8.290 nan 0.000 0.527 558 F N 0.955 120.928 119.950 0.039 0.000 2.377 558 F HA 0.554 5.086 4.527 0.008 0.000 0.328 558 F C -1.482 174.322 175.800 0.007 0.000 1.094 558 F CA -2.368 55.663 58.000 0.051 0.000 1.093 558 F CB 1.017 40.098 39.000 0.135 0.000 1.214 558 F HN -0.176 nan 8.300 nan 0.000 0.518 559 P HA -0.027 nan 4.420 nan 0.000 0.266 559 P C -0.893 176.434 177.300 0.045 0.000 1.186 559 P CA 0.091 63.227 63.100 0.059 0.000 0.767 559 P CB 0.309 32.036 31.700 0.044 0.000 0.820 560 V N 4.047 123.960 119.914 -0.000 0.000 2.481 560 V HA 0.431 4.556 4.120 0.008 0.000 0.286 560 V C 0.691 176.777 176.094 -0.013 0.000 1.042 560 V CA -0.215 62.086 62.300 0.001 0.000 0.928 560 V CB 1.259 33.081 31.823 -0.001 0.000 0.986 560 V HN 0.441 nan 8.190 nan 0.000 0.462 561 V N 0.302 120.215 119.914 -0.002 0.000 3.160 561 V HA 0.735 4.859 4.120 0.008 0.000 0.310 561 V C -0.714 175.404 176.094 0.039 0.000 1.181 561 V CA -1.151 61.150 62.300 0.002 0.000 1.047 561 V CB 1.904 33.688 31.823 -0.066 0.000 1.068 561 V HN 0.733 nan 8.190 nan 0.000 0.441 562 D N 0.735 121.171 120.400 0.061 0.000 2.828 562 D HA -0.149 4.496 4.640 0.008 0.000 0.241 562 D C -0.448 175.899 176.300 0.079 0.000 1.142 562 D CA 1.777 55.815 54.000 0.064 0.000 0.755 562 D CB -1.279 39.543 40.800 0.036 0.000 1.014 562 D HN 1.167 nan 8.370 nan 0.000 0.420 563 I N -3.869 116.777 120.570 0.127 0.000 2.802 563 I HA 0.515 4.690 4.170 0.008 0.000 0.298 563 I C -0.637 175.550 176.117 0.117 0.000 1.176 563 I CA -1.192 60.182 61.300 0.124 0.000 1.025 563 I CB 2.678 40.767 38.000 0.148 0.000 1.243 563 I HN -0.143 nan 8.210 nan 0.000 0.424 564 K N 4.337 124.767 120.400 0.050 0.000 2.339 564 K HA 0.659 4.984 4.320 0.008 0.000 0.264 564 K C -1.633 174.967 176.600 0.001 0.000 0.986 564 K CA -0.561 55.712 56.287 -0.024 0.000 0.866 564 K CB 1.857 34.323 32.500 -0.057 0.000 1.103 564 K HN 0.649 nan 8.250 nan 0.000 0.441 565 V N 3.468 123.382 119.914 0.000 0.000 2.427 565 V HA 0.364 4.489 4.120 0.008 0.000 0.286 565 V C -0.447 175.532 176.094 -0.192 0.000 1.034 565 V CA -0.484 61.850 62.300 0.057 0.000 0.893 565 V CB 1.775 33.819 31.823 0.369 0.000 0.982 565 V HN 0.845 nan 8.190 nan 0.000 0.452 566 T N 5.732 120.202 114.554 -0.141 0.000 2.906 566 T HA 0.413 4.767 4.350 0.008 0.000 0.302 566 T C -0.687 173.975 174.700 -0.063 0.000 1.002 566 T CA -0.291 61.675 62.100 -0.222 0.000 0.988 566 T CB 1.191 69.980 68.868 -0.132 0.000 0.972 566 T HN 0.417 nan 8.240 nan 0.000 0.447 567 L N 5.133 126.251 121.223 -0.175 0.000 2.261 567 L HA 0.429 4.773 4.340 0.008 0.000 0.289 567 L C 0.301 177.218 176.870 0.078 0.000 1.059 567 L CA -0.167 54.692 54.840 0.031 0.000 0.816 567 L CB 0.001 42.138 42.059 0.129 0.000 1.191 567 L HN 0.757 nan 8.230 nan 0.000 0.431 568 Y N 1.700 121.984 120.300 -0.027 0.000 2.467 568 Y HA 0.545 5.100 4.550 0.008 0.000 0.259 568 Y C 0.016 175.915 175.900 -0.001 0.000 1.084 568 Y CA -0.520 57.566 58.100 -0.023 0.000 1.275 568 Y CB 0.213 38.656 38.460 -0.028 0.000 1.208 568 Y HN 0.519 nan 8.280 nan 0.000 0.511 569 D N -0.774 119.253 120.400 -0.621 0.000 2.677 569 D HA 0.593 5.237 4.640 0.008 0.000 0.298 569 D C -0.315 175.763 176.300 -0.370 0.000 1.250 569 D CA 0.411 54.139 54.000 -0.454 0.000 0.888 569 D CB 1.828 42.288 40.800 -0.566 0.000 1.397 569 D HN 0.516 nan 8.370 nan 0.000 0.461 570 G N -0.552 108.081 108.800 -0.279 0.000 2.344 570 G HA2 0.566 4.530 3.960 0.008 0.000 0.282 570 G HA3 0.566 4.530 3.960 0.008 0.000 0.282 570 G C -1.494 173.391 174.900 -0.025 0.000 1.281 570 G CA 0.180 45.060 45.100 -0.367 0.000 0.877 570 G HN 1.280 nan 8.290 nan 0.000 0.494 571 S N -1.646 114.211 115.700 0.261 0.000 2.643 571 S HA 0.845 5.319 4.470 0.008 0.000 0.270 571 S C -1.388 173.661 174.600 0.748 0.000 1.166 571 S CA -0.292 58.219 58.200 0.518 0.000 0.815 571 S CB 1.873 65.397 63.200 0.540 0.000 1.139 571 S HN 2.339 nan 8.310 nan 0.000 0.472 572 Y N -1.219 119.300 120.300 0.365 0.000 2.544 572 Y HA 0.758 5.313 4.550 0.008 0.000 0.342 572 Y C -1.000 174.842 175.900 -0.096 0.000 1.062 572 Y CA -1.111 57.183 58.100 0.323 0.000 1.023 572 Y CB 0.503 39.194 38.460 0.386 0.000 1.308 572 Y HN 1.041 nan 8.280 nan 0.000 0.457 573 H N 3.175 122.005 119.070 -0.400 0.000 2.620 573 H HA 0.247 4.808 4.556 0.007 0.000 0.313 573 H C 0.952 176.208 175.328 -0.121 0.000 1.075 573 H CA 0.345 56.091 56.048 -0.502 0.000 1.397 573 H CB 1.437 30.845 29.762 -0.590 0.000 1.446 573 H HN 0.877 nan 8.280 nan 0.000 0.493 574 E N 2.892 122.847 120.200 -0.408 0.000 2.197 574 E HA -0.290 4.065 4.350 0.008 0.000 0.205 574 E C 1.218 177.907 176.600 0.149 0.000 1.029 574 E CA 1.743 58.084 56.400 -0.098 0.000 0.828 574 E CB -0.021 29.548 29.700 -0.218 0.000 0.737 574 E HN 0.390 nan 8.360 nan 0.000 0.464 575 V N 0.264 120.334 119.914 0.261 0.000 3.473 575 V HA -0.011 4.114 4.120 0.008 0.000 0.253 575 V C 0.601 176.850 176.094 0.258 0.000 1.340 575 V CA 0.536 62.993 62.300 0.262 0.000 1.103 575 V CB 0.630 32.569 31.823 0.194 0.000 0.881 575 V HN 0.045 nan 8.190 nan 0.000 0.451 576 D N 0.793 121.370 120.400 0.295 0.000 2.347 576 D HA 0.096 4.740 4.640 0.008 0.000 0.213 576 D C 1.022 177.420 176.300 0.164 0.000 0.985 576 D CA 0.382 54.437 54.000 0.091 0.000 0.879 576 D CB 0.169 40.847 40.800 -0.204 0.000 0.919 576 D HN 0.379 nan 8.370 nan 0.000 0.526 577 S N 0.186 116.033 115.700 0.245 0.000 2.576 577 S HA 0.362 4.836 4.470 0.008 0.000 0.276 577 S C 0.512 175.189 174.600 0.128 0.000 1.339 577 S CA -0.406 57.908 58.200 0.190 0.000 1.039 577 S CB 1.125 64.486 63.200 0.269 0.000 0.902 577 S HN 0.296 nan 8.310 nan 0.000 0.516 578 S N 1.330 117.051 115.700 0.035 0.000 2.615 578 S HA 0.395 4.870 4.470 0.008 0.000 0.269 578 S C 0.295 175.058 174.600 0.273 0.000 1.161 578 S CA -0.944 57.387 58.200 0.218 0.000 0.817 578 S CB 0.886 64.195 63.200 0.182 0.000 1.131 578 S HN 0.572 nan 8.310 nan 0.000 0.467 579 E N 0.244 120.672 120.200 0.380 0.000 2.077 579 E HA -0.153 4.202 4.350 0.008 0.000 0.193 579 E C 1.790 178.504 176.600 0.191 0.000 0.989 579 E CA 1.276 57.873 56.400 0.328 0.000 0.800 579 E CB -0.188 29.642 29.700 0.218 0.000 0.746 579 E HN 0.650 nan 8.360 nan 0.000 0.452 580 M N 0.852 120.525 119.600 0.122 0.000 2.117 580 M HA -0.187 4.298 4.480 0.008 0.000 0.262 580 M C 2.327 178.613 176.300 -0.024 0.000 1.065 580 M CA 1.688 57.008 55.300 0.033 0.000 1.114 580 M CB -0.213 32.405 32.600 0.031 0.000 1.361 580 M HN 0.097 nan 8.290 nan 0.000 0.408 581 A N 0.251 123.095 122.820 0.039 0.000 1.865 581 A HA -0.211 4.113 4.320 0.008 0.000 0.217 581 A C 1.758 179.264 177.584 -0.130 0.000 1.191 581 A CA 1.825 53.858 52.037 -0.006 0.000 0.623 581 A CB -1.370 17.617 19.000 -0.022 0.000 0.826 581 A HN 0.588 nan 8.150 nan 0.000 0.444 582 F N -0.106 119.821 119.950 -0.038 0.000 2.502 582 F HA -0.044 4.485 4.527 0.004 0.000 0.298 582 F C 2.303 178.087 175.800 -0.027 0.000 1.111 582 F CA 1.429 59.415 58.000 -0.024 0.000 1.445 582 F CB 0.081 39.074 39.000 -0.012 0.000 1.081 582 F HN 0.153 nan 8.300 nan 0.000 0.558 583 K N 1.133 121.592 120.400 0.098 0.000 1.984 583 K HA -0.137 4.187 4.320 0.008 0.000 0.209 583 K C 2.017 178.568 176.600 -0.080 0.000 1.046 583 K CA 1.600 57.891 56.287 0.006 0.000 0.934 583 K CB -0.514 31.974 32.500 -0.020 0.000 0.717 583 K HN 0.250 nan 8.250 nan 0.000 0.438 584 I N 1.200 121.649 120.570 -0.201 0.000 2.315 584 I HA -0.228 3.946 4.170 0.008 0.000 0.248 584 I C 2.508 178.505 176.117 -0.199 0.000 1.117 584 I CA 1.082 62.189 61.300 -0.322 0.000 1.404 584 I CB -0.308 37.224 38.000 -0.780 0.000 1.071 584 I HN 0.167 nan 8.210 nan 0.000 0.419 585 A N 0.949 123.687 122.820 -0.137 0.000 1.933 585 A HA -0.103 4.222 4.320 0.008 0.000 0.218 585 A C 2.445 180.034 177.584 0.008 0.000 1.175 585 A CA 1.857 53.862 52.037 -0.054 0.000 0.628 585 A CB -1.349 17.577 19.000 -0.123 0.000 0.814 585 A HN 0.452 nan 8.150 nan 0.000 0.444 586 G N -1.075 107.746 108.800 0.036 0.000 2.403 586 G HA2 -0.126 3.838 3.960 0.008 0.000 0.216 586 G HA3 -0.126 3.838 3.960 0.008 0.000 0.216 586 G C 1.899 176.814 174.900 0.026 0.000 1.154 586 G CA 1.405 46.543 45.100 0.063 0.000 0.784 586 G HN 0.569 nan 8.290 nan 0.000 0.538 587 S N 0.101 115.788 115.700 -0.021 0.000 2.356 587 S HA -0.080 4.394 4.470 0.008 0.000 0.223 587 S C 2.493 177.079 174.600 -0.023 0.000 1.032 587 S CA 1.505 59.681 58.200 -0.040 0.000 1.005 587 S CB -0.300 62.852 63.200 -0.081 0.000 0.867 587 S HN 0.351 nan 8.310 nan 0.000 0.449 588 M N 0.868 120.453 119.600 -0.024 0.000 2.213 588 M HA -0.026 4.459 4.480 0.008 0.000 0.263 588 M C 2.402 178.716 176.300 0.022 0.000 1.062 588 M CA 1.341 56.640 55.300 -0.002 0.000 1.105 588 M CB -0.447 32.157 32.600 0.007 0.000 1.385 588 M HN 0.516 nan 8.290 nan 0.000 0.417 589 A N 0.160 123.002 122.820 0.037 0.000 1.897 589 A HA -0.122 4.202 4.320 0.008 0.000 0.215 589 A C 2.052 179.673 177.584 0.062 0.000 1.181 589 A CA 1.304 53.377 52.037 0.059 0.000 0.620 589 A CB -0.589 18.459 19.000 0.080 0.000 0.821 589 A HN 0.430 nan 8.150 nan 0.000 0.443 590 I N -0.595 120.009 120.570 0.057 0.000 2.617 590 I HA -0.084 4.091 4.170 0.008 0.000 0.256 590 I C 2.042 178.180 176.117 0.035 0.000 1.167 590 I CA 1.346 62.681 61.300 0.058 0.000 1.469 590 I CB -0.160 37.874 38.000 0.058 0.000 1.098 590 I HN 0.199 nan 8.210 nan 0.000 0.436 591 K N 0.107 120.519 120.400 0.019 0.000 2.057 591 K HA -0.225 4.100 4.320 0.008 0.000 0.206 591 K C 2.033 178.646 176.600 0.021 0.000 1.050 591 K CA 1.616 57.910 56.287 0.011 0.000 0.935 591 K CB -0.176 32.323 32.500 -0.001 0.000 0.715 591 K HN 0.289 nan 8.250 nan 0.000 0.439 592 E N 1.334 121.551 120.200 0.028 0.000 2.085 592 E HA -0.193 4.162 4.350 0.008 0.000 0.194 592 E C 1.721 178.345 176.600 0.040 0.000 0.994 592 E CA 1.581 58.001 56.400 0.033 0.000 0.801 592 E CB -0.164 29.559 29.700 0.039 0.000 0.743 592 E HN 0.265 nan 8.360 nan 0.000 0.453 593 A N 0.327 123.176 122.820 0.049 0.000 1.851 593 A HA -0.162 4.162 4.320 0.008 0.000 0.216 593 A C 2.528 180.139 177.584 0.046 0.000 1.195 593 A CA 1.940 54.010 52.037 0.055 0.000 0.622 593 A CB -1.030 18.013 19.000 0.072 0.000 0.831 593 A HN 0.213 nan 8.150 nan 0.000 0.444 594 V N 0.361 120.300 119.914 0.042 0.000 2.720 594 V HA -0.286 3.839 4.120 0.008 0.000 0.256 594 V C 2.616 178.728 176.094 0.030 0.000 1.082 594 V CA 2.219 64.541 62.300 0.037 0.000 1.101 594 V CB -0.898 30.944 31.823 0.032 0.000 0.693 594 V HN 0.770 nan 8.190 nan 0.000 0.479 595 Q N -0.027 119.790 119.800 0.027 0.000 2.049 595 Q HA -0.158 4.187 4.340 0.008 0.000 0.198 595 Q C 2.204 178.219 176.000 0.024 0.000 0.971 595 Q CA 1.140 56.957 55.803 0.023 0.000 0.833 595 Q CB 0.065 28.815 28.738 0.021 0.000 0.896 595 Q HN 0.437 nan 8.270 nan 0.000 0.434 596 K N -0.347 120.070 120.400 0.028 0.000 2.296 596 K HA 0.028 4.353 4.320 0.008 0.000 0.200 596 K C 1.566 178.181 176.600 0.026 0.000 1.048 596 K CA 0.922 57.225 56.287 0.027 0.000 0.966 596 K CB -0.039 32.480 32.500 0.031 0.000 0.754 596 K HN 0.272 nan 8.250 nan 0.000 0.466 597 G N 2.123 110.940 108.800 0.029 0.000 3.332 597 G HA2 -0.066 3.899 3.960 0.008 0.000 0.242 597 G HA3 -0.066 3.899 3.960 0.008 0.000 0.242 597 G C -0.757 174.157 174.900 0.024 0.000 1.276 597 G CA -0.338 44.779 45.100 0.027 0.000 0.988 597 G HN 0.158 nan 8.290 nan 0.000 0.517 598 D N 0.487 120.900 120.400 0.021 0.000 3.038 598 D HA -0.118 4.526 4.640 0.008 0.000 0.229 598 D C -1.943 174.370 176.300 0.022 0.000 1.182 598 D CA 0.694 54.705 54.000 0.019 0.000 0.852 598 D CB -0.553 40.258 40.800 0.017 0.000 0.932 598 D HN 0.332 nan 8.370 nan 0.000 0.406 599 P HA 0.205 nan 4.420 nan 0.000 0.271 599 P C -0.121 177.194 177.300 0.025 0.000 1.233 599 P CA -0.359 62.757 63.100 0.026 0.000 0.789 599 P CB 1.181 32.896 31.700 0.026 0.000 0.951 600 V N 2.175 122.107 119.914 0.030 0.000 2.789 600 V HA 0.276 4.400 4.120 0.008 0.000 0.300 600 V C -0.332 175.786 176.094 0.040 0.000 1.184 600 V CA -0.829 61.489 62.300 0.031 0.000 0.930 600 V CB 1.638 33.480 31.823 0.033 0.000 1.041 600 V HN 0.310 nan 8.190 nan 0.000 0.430 601 I N 6.585 127.173 120.570 0.030 0.000 2.529 601 I HA 0.303 4.478 4.170 0.008 0.000 0.284 601 I C -0.370 175.806 176.117 0.097 0.000 1.082 601 I CA 0.065 61.389 61.300 0.039 0.000 1.406 601 I CB 0.802 38.770 38.000 -0.052 0.000 1.405 601 I HN 0.381 nan 8.210 nan 0.000 0.548 602 L N 6.545 127.870 121.223 0.170 0.000 2.322 602 L HA 0.442 4.787 4.340 0.008 0.000 0.281 602 L C -0.105 177.016 176.870 0.418 0.000 1.014 602 L CA -0.568 54.424 54.840 0.254 0.000 0.815 602 L CB 1.417 43.612 42.059 0.228 0.000 1.247 602 L HN 0.635 nan 8.230 nan 0.000 0.421 603 E N 3.085 123.481 120.200 0.327 0.000 2.207 603 E HA 0.579 4.933 4.350 0.008 0.000 0.270 603 E C -2.782 173.760 176.600 -0.097 0.000 0.927 603 E CA -2.544 53.965 56.400 0.182 0.000 0.799 603 E CB 1.752 31.568 29.700 0.193 0.000 1.172 603 E HN 0.184 nan 8.360 nan 0.000 0.404 604 P HA 0.116 nan 4.420 nan 0.000 0.276 604 P C -0.680 176.393 177.300 -0.379 0.000 1.235 604 P CA -0.204 62.541 63.100 -0.592 0.000 0.772 604 P CB 0.373 31.763 31.700 -0.516 0.000 0.871 605 I N 4.589 124.857 120.570 -0.504 0.000 2.321 605 I HA 0.283 4.458 4.170 0.008 0.000 0.291 605 I C 0.580 176.494 176.117 -0.338 0.000 0.998 605 I CA -0.586 60.426 61.300 -0.480 0.000 1.227 605 I CB 0.529 38.027 38.000 -0.836 0.000 1.368 605 I HN 0.241 nan 8.210 nan 0.000 0.466 606 M N 5.889 125.407 119.600 -0.138 0.000 2.283 606 M HA 0.399 4.883 4.480 0.008 0.000 0.314 606 M C 0.213 176.574 176.300 0.102 0.000 1.153 606 M CA -0.421 54.860 55.300 -0.032 0.000 1.084 606 M CB 0.735 33.305 32.600 -0.050 0.000 1.468 606 M HN 0.408 nan 8.290 nan 0.000 0.474 607 R N 0.820 121.386 120.500 0.109 0.000 2.360 607 R HA 0.643 4.987 4.340 0.008 0.000 0.318 607 R C -1.859 174.479 176.300 0.062 0.000 0.950 607 R CA -0.337 55.804 56.100 0.068 0.000 0.837 607 R CB 1.021 31.378 30.300 0.095 0.000 1.165 607 R HN 0.537 nan 8.270 nan 0.000 0.458 608 V N 4.537 124.445 119.914 -0.010 0.000 2.407 608 V HA 0.271 4.396 4.120 0.008 0.000 0.291 608 V C -0.605 175.510 176.094 0.035 0.000 1.018 608 V CA -0.841 61.482 62.300 0.037 0.000 0.842 608 V CB 1.763 33.579 31.823 -0.011 0.000 0.996 608 V HN 0.762 nan 8.190 nan 0.000 0.426 609 E N 3.822 124.078 120.200 0.093 0.000 2.109 609 E HA 0.518 4.873 4.350 0.008 0.000 0.278 609 E C -1.070 175.611 176.600 0.135 0.000 0.954 609 E CA -0.549 55.898 56.400 0.078 0.000 0.779 609 E CB 2.082 31.824 29.700 0.070 0.000 1.093 609 E HN 0.463 nan 8.360 nan 0.000 0.401 610 V N 3.338 123.329 119.914 0.127 0.000 2.334 610 V HA 0.189 4.314 4.120 0.008 0.000 0.281 610 V C 0.078 176.250 176.094 0.129 0.000 1.016 610 V CA -0.835 61.575 62.300 0.183 0.000 0.832 610 V CB 1.288 33.227 31.823 0.194 0.000 0.999 610 V HN 0.662 nan 8.190 nan 0.000 0.439 611 T N 3.793 118.426 114.554 0.132 0.000 2.761 611 T HA 0.441 4.796 4.350 0.008 0.000 0.296 611 T C 0.194 174.960 174.700 0.110 0.000 0.934 611 T CA 0.133 62.292 62.100 0.098 0.000 1.091 611 T CB 0.950 69.868 68.868 0.083 0.000 0.896 611 T HN 0.799 nan 8.240 nan 0.000 0.515 612 T N 4.049 118.660 114.554 0.094 0.000 2.933 612 T HA 0.484 4.839 4.350 0.008 0.000 0.305 612 T C -2.895 171.853 174.700 0.080 0.000 1.092 612 T CA -2.175 59.989 62.100 0.107 0.000 1.008 612 T CB 1.286 70.225 68.868 0.119 0.000 1.102 612 T HN 0.120 nan 8.240 nan 0.000 0.469 613 P HA 0.069 nan 4.420 nan 0.000 0.260 613 P C 0.955 178.207 177.300 -0.081 0.000 1.172 613 P CA 0.217 63.310 63.100 -0.012 0.000 0.760 613 P CB 0.460 32.132 31.700 -0.046 0.000 0.773 614 E N 4.020 124.172 120.200 -0.081 0.000 2.136 614 E HA -0.293 4.062 4.350 0.008 0.000 0.202 614 E C 1.494 178.025 176.600 -0.115 0.000 1.019 614 E CA 1.930 58.287 56.400 -0.072 0.000 0.819 614 E CB 0.069 29.733 29.700 -0.060 0.000 0.739 614 E HN 0.636 nan 8.360 nan 0.000 0.458 615 E N -0.578 119.473 120.200 -0.248 0.000 2.058 615 E HA -0.211 4.144 4.350 0.008 0.000 0.194 615 E C 1.125 177.611 176.600 -0.189 0.000 0.997 615 E CA 1.238 57.460 56.400 -0.296 0.000 0.801 615 E CB -0.847 28.557 29.700 -0.494 0.000 0.746 615 E HN 0.471 nan 8.360 nan 0.000 0.450 616 Y N 0.684 120.987 120.300 0.006 0.000 2.740 616 Y HA 0.220 4.774 4.550 0.008 0.000 0.356 616 Y C 1.971 177.876 175.900 0.008 0.000 1.101 616 Y CA -0.607 57.495 58.100 0.004 0.000 1.477 616 Y CB -0.184 38.276 38.460 -0.000 0.000 1.296 616 Y HN 0.013 nan 8.280 nan 0.000 0.507 617 M N -0.119 119.541 119.600 0.100 0.000 2.077 617 M HA -0.121 4.364 4.480 0.008 0.000 0.261 617 M C 2.526 178.867 176.300 0.068 0.000 1.070 617 M CA 1.814 57.156 55.300 0.070 0.000 1.125 617 M CB -0.619 32.002 32.600 0.035 0.000 1.339 617 M HN 0.663 nan 8.290 nan 0.000 0.409 618 G N 0.318 109.156 108.800 0.062 0.000 2.442 618 G HA2 -0.224 3.741 3.960 0.008 0.000 0.219 618 G HA3 -0.224 3.741 3.960 0.008 0.000 0.219 618 G C 1.005 175.936 174.900 0.052 0.000 1.141 618 G CA 1.118 46.248 45.100 0.050 0.000 0.763 618 G HN 0.473 nan 8.290 nan 0.000 0.554 619 D N -0.028 120.411 120.400 0.066 0.000 2.347 619 D HA 0.001 4.646 4.640 0.008 0.000 0.215 619 D C 2.347 178.668 176.300 0.036 0.000 0.976 619 D CA 0.410 54.437 54.000 0.044 0.000 0.884 619 D CB 0.516 41.338 40.800 0.036 0.000 0.915 619 D HN 0.321 nan 8.370 nan 0.000 0.526 620 V N 0.964 120.911 119.914 0.055 0.000 2.788 620 V HA -0.071 4.054 4.120 0.008 0.000 0.241 620 V C 2.438 178.570 176.094 0.064 0.000 1.083 620 V CA 0.170 62.505 62.300 0.060 0.000 1.103 620 V CB 0.274 32.143 31.823 0.076 0.000 0.800 620 V HN 0.083 nan 8.190 nan 0.000 0.476 621 I N 1.834 122.436 120.570 0.053 0.000 2.163 621 I HA -0.160 4.014 4.170 0.008 0.000 0.243 621 I C 2.186 178.324 176.117 0.036 0.000 1.085 621 I CA 2.170 63.494 61.300 0.040 0.000 1.347 621 I CB -1.495 36.525 38.000 0.033 0.000 1.044 621 I HN 0.451 nan 8.210 nan 0.000 0.408 622 G N 0.037 108.857 108.800 0.034 0.000 3.375 622 G HA2 -0.030 3.935 3.960 0.008 0.000 0.247 622 G HA3 -0.030 3.935 3.960 0.008 0.000 0.247 622 G C 0.610 175.528 174.900 0.030 0.000 1.343 622 G CA 0.520 45.638 45.100 0.028 0.000 1.368 622 G HN 0.468 nan 8.290 nan 0.000 0.549 623 D N -1.213 119.211 120.400 0.040 0.000 2.017 623 D HA 0.014 4.658 4.640 0.008 0.000 0.336 623 D C 2.127 178.462 176.300 0.058 0.000 1.104 623 D CA -0.357 53.674 54.000 0.052 0.000 0.965 623 D CB -0.313 40.525 40.800 0.063 0.000 1.864 623 D HN 0.103 nan 8.370 nan 0.000 0.538 624 L N 0.777 122.032 121.223 0.053 0.000 2.131 624 L HA -0.006 4.339 4.340 0.008 0.000 0.210 624 L C 1.571 178.444 176.870 0.004 0.000 1.092 624 L CA 1.197 56.045 54.840 0.012 0.000 0.759 624 L CB -0.421 41.640 42.059 0.003 0.000 0.903 624 L HN 0.102 nan 8.230 nan 0.000 0.435 625 N N -0.037 118.673 118.700 0.017 0.000 2.270 625 N HA -0.089 4.656 4.740 0.008 0.000 0.181 625 N C 1.773 177.292 175.510 0.016 0.000 1.016 625 N CA 1.056 54.116 53.050 0.016 0.000 0.870 625 N CB -0.177 38.322 38.487 0.019 0.000 0.979 625 N HN 0.262 nan 8.380 nan 0.000 0.431 626 A N 0.431 123.262 122.820 0.019 0.000 2.172 626 A HA 0.007 4.332 4.320 0.008 0.000 0.216 626 A C 1.397 178.991 177.584 0.017 0.000 1.154 626 A CA 0.847 52.896 52.037 0.020 0.000 0.701 626 A CB 0.040 19.055 19.000 0.025 0.000 0.789 626 A HN 0.102 nan 8.150 nan 0.000 0.465 627 R N -0.514 119.990 120.500 0.007 0.000 2.426 627 R HA 0.188 4.533 4.340 0.008 0.000 0.263 627 R C -0.192 176.099 176.300 -0.015 0.000 0.961 627 R CA -0.065 56.028 56.100 -0.011 0.000 1.086 627 R CB -0.315 29.956 30.300 -0.049 0.000 1.186 627 R HN 0.588 nan 8.270 nan 0.000 0.537 628 R N -0.671 119.829 120.500 -0.000 0.000 3.770 628 R HA -0.142 4.203 4.340 0.008 0.000 0.305 628 R C 0.496 176.800 176.300 0.006 0.000 1.184 628 R CA 0.783 56.886 56.100 0.005 0.000 0.823 628 R CB -2.109 28.194 30.300 0.005 0.000 1.285 628 R HN 0.353 nan 8.270 nan 0.000 0.499 629 G N 0.309 109.112 108.800 0.005 0.000 2.502 629 G HA2 0.412 4.377 3.960 0.008 0.000 0.305 629 G HA3 0.412 4.377 3.960 0.008 0.000 0.305 629 G C -0.774 174.150 174.900 0.041 0.000 1.190 629 G CA -0.373 44.737 45.100 0.018 0.000 0.933 629 G HN 0.113 nan 8.290 nan 0.000 0.503 630 Q N 0.065 119.910 119.800 0.074 0.000 2.275 630 Q HA 0.381 4.726 4.340 0.008 0.000 0.266 630 Q C -1.181 174.861 176.000 0.070 0.000 1.002 630 Q CA -0.758 55.096 55.803 0.084 0.000 0.761 630 Q CB 1.740 30.553 28.738 0.125 0.000 1.255 630 Q HN 0.358 nan 8.270 nan 0.000 0.446 631 I N 4.223 124.813 120.570 0.033 0.000 2.588 631 I HA -0.042 4.133 4.170 0.008 0.000 0.283 631 I C 0.780 176.891 176.117 -0.010 0.000 1.119 631 I CA 0.597 61.897 61.300 -0.000 0.000 1.419 631 I CB 0.941 38.943 38.000 0.003 0.000 1.394 631 I HN 0.779 nan 8.210 nan 0.000 0.562 632 L N 4.678 125.865 121.223 -0.060 0.000 2.425 632 L HA 0.495 4.840 4.340 0.008 0.000 0.215 632 L C 0.828 177.667 176.870 -0.052 0.000 1.065 632 L CA 0.165 54.961 54.840 -0.074 0.000 0.842 632 L CB -0.206 41.741 42.059 -0.186 0.000 1.033 632 L HN 0.809 nan 8.230 nan 0.000 0.474 633 G N 1.386 110.157 108.800 -0.048 0.000 2.318 633 G HA2 0.291 4.255 3.960 0.008 0.000 0.302 633 G HA3 0.291 4.255 3.960 0.008 0.000 0.302 633 G C -1.301 173.581 174.900 -0.029 0.000 1.633 633 G CA -0.772 44.310 45.100 -0.031 0.000 0.965 633 G HN -0.099 nan 8.290 nan 0.000 0.698 634 M N 0.717 120.308 119.600 -0.016 0.000 2.181 634 M HA 0.834 5.318 4.480 0.008 0.000 0.323 634 M C -0.845 175.449 176.300 -0.010 0.000 1.004 634 M CA -1.124 54.170 55.300 -0.010 0.000 0.941 634 M CB 1.065 33.665 32.600 -0.000 0.000 1.579 634 M HN 0.622 nan 8.290 nan 0.000 0.427 635 E N 4.597 124.790 120.200 -0.012 0.000 2.234 635 E HA 0.692 5.047 4.350 0.008 0.000 0.266 635 E C -2.683 173.911 176.600 -0.010 0.000 0.877 635 E CA -1.895 54.498 56.400 -0.012 0.000 0.758 635 E CB 2.421 32.109 29.700 -0.018 0.000 1.170 635 E HN 0.460 nan 8.360 nan 0.000 0.415 636 P HA 0.053 nan 4.420 nan 0.000 0.268 636 P C -1.169 176.127 177.300 -0.007 0.000 1.205 636 P CA 0.020 63.119 63.100 -0.002 0.000 0.771 636 P CB 0.473 32.173 31.700 0.000 0.000 0.858 637 R N 2.573 123.071 120.500 -0.004 0.000 2.473 637 R HA 0.480 4.825 4.340 0.008 0.000 0.303 637 R C 0.563 176.867 176.300 0.007 0.000 1.002 637 R CA 0.191 56.282 56.100 -0.014 0.000 0.884 637 R CB 0.917 31.196 30.300 -0.035 0.000 1.173 637 R HN 0.806 nan 8.270 nan 0.000 0.464 638 G N 4.050 112.858 108.800 0.015 0.000 2.536 638 G HA2 -0.404 3.561 3.960 0.008 0.000 0.280 638 G HA3 -0.404 3.561 3.960 0.008 0.000 0.280 638 G C 0.200 175.135 174.900 0.059 0.000 1.152 638 G CA 0.461 45.593 45.100 0.054 0.000 0.970 638 G HN 0.705 nan 8.290 nan 0.000 0.549 639 N N 1.991 120.741 118.700 0.082 0.000 2.235 639 N HA 0.588 5.332 4.740 0.008 0.000 0.209 639 N C 0.458 175.991 175.510 0.038 0.000 1.122 639 N CA 1.365 54.448 53.050 0.054 0.000 0.845 639 N CB 0.275 38.796 38.487 0.055 0.000 1.004 639 N HN 1.416 nan 8.380 nan 0.000 0.499 640 A N -0.198 122.648 122.820 0.044 0.000 2.414 640 A HA 0.736 5.061 4.320 0.008 0.000 0.278 640 A C -1.095 176.503 177.584 0.023 0.000 1.228 640 A CA -0.523 51.535 52.037 0.034 0.000 0.857 640 A CB 1.104 20.139 19.000 0.058 0.000 1.389 640 A HN 0.187 nan 8.150 nan 0.000 0.452 641 Q N -0.343 119.473 119.800 0.025 0.000 2.321 641 Q HA 0.569 4.914 4.340 0.008 0.000 0.270 641 Q C -1.675 174.342 176.000 0.029 0.000 1.032 641 Q CA -0.264 55.551 55.803 0.020 0.000 0.784 641 Q CB 1.960 30.708 28.738 0.017 0.000 1.264 641 Q HN 0.540 nan 8.270 nan 0.000 0.448 642 V N 5.204 125.129 119.914 0.018 0.000 2.394 642 V HA 0.529 4.653 4.120 0.008 0.000 0.282 642 V C -0.161 175.942 176.094 0.014 0.000 1.031 642 V CA -0.586 61.727 62.300 0.022 0.000 0.881 642 V CB 1.195 33.021 31.823 0.005 0.000 0.982 642 V HN 0.703 nan 8.190 nan 0.000 0.451 643 I N 4.974 125.560 120.570 0.026 0.000 2.354 643 I HA 0.528 4.702 4.170 0.008 0.000 0.292 643 I C 0.182 176.294 176.117 -0.009 0.000 0.989 643 I CA -0.528 60.778 61.300 0.011 0.000 1.188 643 I CB 1.498 39.513 38.000 0.026 0.000 1.342 643 I HN 0.497 nan 8.210 nan 0.000 0.457 644 R N 4.869 125.341 120.500 -0.047 0.000 2.312 644 R HA 0.837 5.181 4.340 0.008 0.000 0.311 644 R C -0.757 175.455 176.300 -0.147 0.000 1.004 644 R CA -0.407 55.631 56.100 -0.104 0.000 0.902 644 R CB 1.728 31.949 30.300 -0.132 0.000 1.073 644 R HN 0.773 nan 8.270 nan 0.000 0.457 645 A N 2.827 125.530 122.820 -0.195 0.000 2.574 645 A HA 0.557 4.882 4.320 0.008 0.000 0.297 645 A C -1.616 175.835 177.584 -0.221 0.000 1.062 645 A CA -0.719 51.211 52.037 -0.178 0.000 0.686 645 A CB 0.922 19.877 19.000 -0.075 0.000 1.285 645 A HN 0.515 nan 8.150 nan 0.000 0.403 646 F N 1.345 121.279 119.950 -0.026 0.000 2.404 646 F HA 0.543 5.075 4.527 0.008 0.000 0.358 646 F C 0.383 176.141 175.800 -0.070 0.000 1.120 646 F CA -0.402 57.574 58.000 -0.040 0.000 1.144 646 F CB 1.742 40.740 39.000 -0.003 0.000 1.133 646 F HN 0.393 nan 8.300 nan 0.000 0.495 647 V N 6.778 126.747 119.914 0.092 0.000 2.709 647 V HA 0.620 4.744 4.120 0.008 0.000 0.308 647 V C -2.547 173.501 176.094 -0.077 0.000 1.062 647 V CA -2.758 59.525 62.300 -0.028 0.000 0.901 647 V CB 2.518 34.270 31.823 -0.119 0.000 1.003 647 V HN 0.393 nan 8.190 nan 0.000 0.425 648 P HA 0.148 nan 4.420 nan 0.000 0.268 648 P C 0.505 177.700 177.300 -0.176 0.000 1.205 648 P CA -0.088 62.934 63.100 -0.130 0.000 0.771 648 P CB 0.807 32.458 31.700 -0.083 0.000 0.858 649 L N 4.058 125.147 121.223 -0.223 0.000 2.131 649 L HA -0.148 4.196 4.340 0.008 0.000 0.210 649 L C 2.107 178.735 176.870 -0.404 0.000 1.092 649 L CA 2.067 56.726 54.840 -0.301 0.000 0.759 649 L CB -1.410 40.459 42.059 -0.316 0.000 0.903 649 L HN 0.423 nan 8.230 nan 0.000 0.435 650 A N -1.160 121.484 122.820 -0.292 0.000 2.019 650 A HA -0.129 4.196 4.320 0.008 0.000 0.219 650 A C 1.624 179.127 177.584 -0.135 0.000 1.164 650 A CA 1.418 53.333 52.037 -0.203 0.000 0.644 650 A CB -0.411 18.601 19.000 0.020 0.000 0.805 650 A HN 0.532 nan 8.150 nan 0.000 0.449 651 E N -0.915 119.204 120.200 -0.135 0.000 2.405 651 E HA 0.206 4.561 4.350 0.008 0.000 0.214 651 E C 0.002 176.517 176.600 -0.143 0.000 1.101 651 E CA -0.057 56.294 56.400 -0.081 0.000 1.254 651 E CB 0.427 30.094 29.700 -0.055 0.000 1.240 651 E HN 0.461 nan 8.360 nan 0.000 0.439 652 M N -0.486 118.981 119.600 -0.221 0.000 2.289 652 M HA 0.186 4.671 4.480 0.008 0.000 0.335 652 M C -0.142 176.116 176.300 -0.071 0.000 0.961 652 M CA -0.296 54.871 55.300 -0.222 0.000 1.018 652 M CB 0.180 32.611 32.600 -0.281 0.000 1.678 652 M HN -0.029 nan 8.290 nan 0.000 0.589 653 F N 2.232 122.197 119.950 0.025 0.000 2.571 653 F HA 0.404 4.936 4.527 0.007 0.000 0.384 653 F C 1.641 177.483 175.800 0.071 0.000 1.058 653 F CA 0.623 58.653 58.000 0.051 0.000 1.200 653 F CB -0.383 38.641 39.000 0.040 0.000 1.077 653 F HN 0.538 nan 8.300 nan 0.000 0.558 654 G N 3.886 112.876 108.800 0.317 0.000 2.367 654 G HA2 -0.369 3.596 3.960 0.008 0.000 0.295 654 G HA3 -0.369 3.596 3.960 0.008 0.000 0.295 654 G C 0.291 175.290 174.900 0.165 0.000 1.019 654 G CA 0.296 45.517 45.100 0.202 0.000 1.224 654 G HN 0.778 nan 8.290 nan 0.000 0.510 655 Y N 0.394 120.682 120.300 -0.021 0.000 2.347 655 Y HA 0.319 4.873 4.550 0.008 0.000 0.294 655 Y C 2.669 178.462 175.900 -0.177 0.000 1.117 655 Y CA 1.714 59.689 58.100 -0.209 0.000 1.184 655 Y CB -0.294 37.851 38.460 -0.524 0.000 1.047 655 Y HN 0.602 nan 8.280 nan 0.000 0.546 656 A N -0.315 122.537 122.820 0.053 0.000 2.032 656 A HA -0.253 4.071 4.320 0.008 0.000 0.221 656 A C 2.207 179.792 177.584 0.001 0.000 1.165 656 A CA 2.583 54.708 52.037 0.146 0.000 0.645 656 A CB -1.358 17.831 19.000 0.315 0.000 0.807 656 A HN 0.608 nan 8.150 nan 0.000 0.453 657 T N -2.113 112.427 114.554 -0.023 0.000 2.706 657 T HA -0.100 4.255 4.350 0.008 0.000 0.255 657 T C 1.426 176.051 174.700 -0.124 0.000 1.048 657 T CA 1.343 63.417 62.100 -0.044 0.000 1.153 657 T CB -0.764 68.099 68.868 -0.009 0.000 0.865 657 T HN 0.325 nan 8.240 nan 0.000 0.414 658 D N 1.285 121.583 120.400 -0.170 0.000 2.172 658 D HA -0.063 4.582 4.640 0.008 0.000 0.196 658 D C 2.010 178.112 176.300 -0.330 0.000 0.999 658 D CA 0.734 54.602 54.000 -0.220 0.000 0.856 658 D CB -0.440 40.242 40.800 -0.197 0.000 0.934 658 D HN 0.258 nan 8.370 nan 0.000 0.453 659 L N 0.385 121.296 121.223 -0.520 0.000 2.027 659 L HA -0.133 4.212 4.340 0.008 0.000 0.206 659 L C 2.342 179.078 176.870 -0.223 0.000 1.074 659 L CA 1.325 55.880 54.840 -0.475 0.000 0.745 659 L CB -0.125 41.587 42.059 -0.578 0.000 0.898 659 L HN 0.081 nan 8.230 nan 0.000 0.433 660 R N -1.567 118.841 120.500 -0.153 0.000 2.276 660 R HA -0.061 4.284 4.340 0.008 0.000 0.203 660 R C 1.999 178.240 176.300 -0.099 0.000 1.017 660 R CA 1.126 57.175 56.100 -0.084 0.000 1.010 660 R CB -0.292 29.990 30.300 -0.030 0.000 0.900 660 R HN 0.128 nan 8.270 nan 0.000 0.469 661 S N 0.422 116.049 115.700 -0.121 0.000 2.470 661 S HA 0.081 4.556 4.470 0.008 0.000 0.225 661 S C 1.171 175.680 174.600 -0.152 0.000 1.006 661 S CA 0.416 58.547 58.200 -0.114 0.000 0.934 661 S CB 0.185 63.327 63.200 -0.096 0.000 0.778 661 S HN 0.465 nan 8.310 nan 0.000 0.517 662 K N 0.453 120.742 120.400 -0.184 0.000 2.374 662 K HA 0.158 4.483 4.320 0.008 0.000 0.202 662 K C 0.703 177.096 176.600 -0.346 0.000 1.040 662 K CA 0.624 56.776 56.287 -0.226 0.000 1.085 662 K CB 0.869 33.271 32.500 -0.164 0.000 0.873 662 K HN 0.457 nan 8.250 nan 0.000 0.539 663 T N -2.965 111.410 114.554 -0.298 0.000 3.170 663 T HA 0.073 4.428 4.350 0.008 0.000 0.288 663 T C 0.369 174.948 174.700 -0.202 0.000 0.992 663 T CA -0.323 61.599 62.100 -0.296 0.000 0.909 663 T CB 0.345 69.212 68.868 -0.002 0.000 1.133 663 T HN -0.019 nan 8.240 nan 0.000 0.530 664 Q N 0.477 120.145 119.800 -0.220 0.000 2.494 664 Q HA -0.165 4.179 4.340 0.008 0.000 0.266 664 Q C 1.274 177.253 176.000 -0.035 0.000 1.053 664 Q CA 1.656 57.396 55.803 -0.105 0.000 1.029 664 Q CB -1.771 26.932 28.738 -0.060 0.000 1.423 664 Q HN 1.437 nan 8.270 nan 0.000 0.516 665 G N -1.673 107.107 108.800 -0.035 0.000 2.217 665 G HA2 -0.372 3.593 3.960 0.008 0.000 0.246 665 G HA3 -0.372 3.593 3.960 0.008 0.000 0.246 665 G C 0.674 175.590 174.900 0.027 0.000 0.990 665 G CA 0.318 45.415 45.100 -0.004 0.000 0.627 665 G HN 0.422 nan 8.290 nan 0.000 0.522 666 R N 0.859 121.390 120.500 0.052 0.000 2.236 666 R HA 0.269 4.614 4.340 0.008 0.000 0.208 666 R C 1.819 178.178 176.300 0.100 0.000 1.036 666 R CA 0.552 56.703 56.100 0.086 0.000 1.001 666 R CB 0.040 30.416 30.300 0.128 0.000 0.896 666 R HN 0.435 nan 8.270 nan 0.000 0.464 667 G N 0.347 109.200 108.800 0.088 0.000 2.537 667 G HA2 0.349 4.314 3.960 0.008 0.000 0.273 667 G HA3 0.349 4.314 3.960 0.008 0.000 0.273 667 G C -0.525 174.448 174.900 0.123 0.000 1.189 667 G CA -0.228 44.933 45.100 0.100 0.000 0.881 667 G HN 0.215 nan 8.290 nan 0.000 0.535 668 S N -0.990 114.812 115.700 0.169 0.000 2.552 668 S HA 0.746 5.221 4.470 0.008 0.000 0.272 668 S C -1.052 173.738 174.600 0.316 0.000 1.150 668 S CA -0.921 57.417 58.200 0.230 0.000 0.849 668 S CB 1.644 64.925 63.200 0.135 0.000 1.113 668 S HN 1.662 nan 8.310 nan 0.000 0.458 669 F N -0.083 119.919 119.950 0.086 0.000 2.626 669 F HA 0.901 5.433 4.527 0.008 0.000 0.311 669 F C -1.129 174.700 175.800 0.048 0.000 1.088 669 F CA -1.158 56.901 58.000 0.098 0.000 0.949 669 F CB 1.054 40.172 39.000 0.197 0.000 1.322 669 F HN 0.807 nan 8.300 nan 0.000 0.461 670 V N 0.860 120.747 119.914 -0.045 0.000 3.001 670 V HA 0.809 4.934 4.120 0.008 0.000 0.314 670 V C -1.104 174.914 176.094 -0.126 0.000 1.099 670 V CA -1.017 61.150 62.300 -0.222 0.000 0.989 670 V CB 1.926 33.702 31.823 -0.079 0.000 1.040 670 V HN 1.156 nan 8.190 nan 0.000 0.434 671 M N 2.933 122.294 119.600 -0.399 0.000 2.324 671 M HA 0.757 5.241 4.480 0.008 0.000 0.288 671 M C -2.346 173.588 176.300 -0.609 0.000 1.097 671 M CA -0.151 54.979 55.300 -0.282 0.000 0.928 671 M CB 2.147 34.673 32.600 -0.122 0.000 1.648 671 M HN 0.772 nan 8.290 nan 0.000 0.460 672 F N 3.092 123.036 119.950 -0.009 0.000 2.578 672 F HA 0.475 5.007 4.527 0.007 0.000 0.311 672 F C -0.727 175.096 175.800 0.039 0.000 1.094 672 F CA -0.694 57.312 58.000 0.010 0.000 0.923 672 F CB 1.558 40.561 39.000 0.003 0.000 1.230 672 F HN 0.432 nan 8.300 nan 0.000 0.450 673 F N 3.270 123.290 119.950 0.118 0.000 2.495 673 F HA 0.167 4.699 4.527 0.009 0.000 0.365 673 F C 0.780 176.628 175.800 0.078 0.000 1.090 673 F CA 0.436 58.447 58.000 0.019 0.000 1.235 673 F CB 0.517 39.491 39.000 -0.043 0.000 1.119 673 F HN 0.620 nan 8.300 nan 0.000 0.562 674 D N 2.872 122.723 120.400 -0.916 0.000 2.995 674 D HA 0.011 4.656 4.640 0.008 0.000 0.289 674 D C -0.091 175.650 176.300 -0.932 0.000 1.116 674 D CA 0.726 54.365 54.000 -0.602 0.000 0.994 674 D CB 0.365 41.172 40.800 0.013 0.000 1.209 674 D HN 0.748 nan 8.370 nan 0.000 0.458 675 H N -2.623 115.757 119.070 -1.151 0.000 2.918 675 H HA 0.256 4.817 4.556 0.008 0.000 0.303 675 H C -1.671 173.507 175.328 -0.250 0.000 1.380 675 H CA -0.691 55.008 56.048 -0.583 0.000 1.134 675 H CB 0.184 29.774 29.762 -0.287 0.000 1.842 675 H HN -0.103 nan 8.280 nan 0.000 0.533 676 Y N 0.102 120.475 120.300 0.121 0.000 2.387 676 Y HA 0.401 4.956 4.550 0.008 0.000 0.330 676 Y C 0.204 176.161 175.900 0.095 0.000 1.133 676 Y CA -0.317 57.840 58.100 0.095 0.000 1.152 676 Y CB 2.182 40.736 38.460 0.158 0.000 1.215 676 Y HN 0.564 nan 8.280 nan 0.000 0.466 677 Q N 1.288 121.194 119.800 0.177 0.000 2.394 677 Q HA 0.372 4.716 4.340 0.008 0.000 0.273 677 Q C -1.685 174.392 176.000 0.129 0.000 1.089 677 Q CA -0.968 54.911 55.803 0.127 0.000 0.812 677 Q CB 1.542 30.288 28.738 0.014 0.000 1.353 677 Q HN 0.507 nan 8.270 nan 0.000 0.438 678 E N 1.290 121.549 120.200 0.098 0.000 2.166 678 E HA 0.219 4.574 4.350 0.008 0.000 0.279 678 E C -0.496 176.140 176.600 0.059 0.000 1.095 678 E CA -0.301 56.145 56.400 0.076 0.000 0.888 678 E CB 0.337 30.070 29.700 0.055 0.000 1.041 678 E HN 0.440 nan 8.360 nan 0.000 0.414 679 V N 1.834 121.785 119.914 0.063 0.000 2.763 679 V HA 0.215 4.340 4.120 0.008 0.000 0.306 679 V C -1.986 174.126 176.094 0.030 0.000 1.059 679 V CA -1.830 60.499 62.300 0.048 0.000 1.138 679 V CB -0.001 31.849 31.823 0.045 0.000 0.940 679 V HN 0.463 nan 8.190 nan 0.000 0.489 680 P HA 0.142 nan 4.420 nan 0.000 0.267 680 P C 0.298 177.607 177.300 0.014 0.000 1.201 680 P CA -0.165 62.946 63.100 0.018 0.000 0.775 680 P CB 0.423 32.134 31.700 0.017 0.000 0.854 681 K N 1.230 121.638 120.400 0.012 0.000 2.209 681 K HA -0.169 4.156 4.320 0.008 0.000 0.204 681 K C 1.919 178.524 176.600 0.007 0.000 1.048 681 K CA 1.440 57.732 56.287 0.009 0.000 0.940 681 K CB -0.295 32.211 32.500 0.009 0.000 0.729 681 K HN 0.445 nan 8.250 nan 0.000 0.451 682 Q N -0.270 119.535 119.800 0.009 0.000 2.119 682 Q HA -0.102 4.242 4.340 0.008 0.000 0.201 682 Q C 1.570 177.575 176.000 0.008 0.000 0.972 682 Q CA 1.343 57.151 55.803 0.009 0.000 0.847 682 Q CB 0.241 28.986 28.738 0.012 0.000 0.903 682 Q HN 0.126 nan 8.270 nan 0.000 0.433 683 V N 0.582 120.500 119.914 0.008 0.000 2.667 683 V HA -0.234 3.891 4.120 0.008 0.000 0.252 683 V C 2.201 178.285 176.094 -0.015 0.000 1.065 683 V CA 1.810 64.112 62.300 0.004 0.000 1.083 683 V CB -0.655 31.176 31.823 0.014 0.000 0.692 683 V HN 0.398 nan 8.190 nan 0.000 0.468 684 Q N 0.643 120.434 119.800 -0.016 0.000 2.030 684 Q HA -0.264 4.080 4.340 0.008 0.000 0.204 684 Q C 2.290 178.276 176.000 -0.023 0.000 0.986 684 Q CA 2.378 58.165 55.803 -0.028 0.000 0.843 684 Q CB -0.111 28.619 28.738 -0.013 0.000 0.904 684 Q HN 0.793 nan 8.270 nan 0.000 0.420 685 E N 0.338 120.533 120.200 -0.009 0.000 2.085 685 E HA -0.221 4.134 4.350 0.008 0.000 0.194 685 E C 1.863 178.461 176.600 -0.003 0.000 0.994 685 E CA 1.393 57.791 56.400 -0.004 0.000 0.801 685 E CB -0.112 29.589 29.700 0.002 0.000 0.743 685 E HN 0.284 nan 8.360 nan 0.000 0.453 686 K N 0.412 120.810 120.400 -0.003 0.000 2.280 686 K HA -0.060 4.264 4.320 0.008 0.000 0.202 686 K C 1.894 178.493 176.600 -0.003 0.000 1.047 686 K CA 0.793 57.083 56.287 0.004 0.000 0.942 686 K CB 0.058 32.565 32.500 0.011 0.000 0.739 686 K HN 0.148 nan 8.250 nan 0.000 0.457 687 L N 0.259 121.465 121.223 -0.028 0.000 2.357 687 L HA 0.154 4.499 4.340 0.008 0.000 0.211 687 L C 1.083 177.936 176.870 -0.029 0.000 1.075 687 L CA -0.109 54.699 54.840 -0.054 0.000 0.830 687 L CB 0.079 42.043 42.059 -0.159 0.000 0.996 687 L HN 0.032 nan 8.230 nan 0.000 0.467 688 I N 0.000 120.558 120.570 -0.020 0.000 2.984 688 I HA 0.000 4.175 4.170 0.008 0.000 0.288 688 I CA 0.000 61.297 61.300 -0.004 0.000 1.566 688 I CB 0.000 37.998 38.000 -0.004 0.000 1.214 688 I HN 0.000 nan 8.210 nan 0.000 0.494