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 1jvn_1_A DATA FIRST_RESID -3 DATA SEQUENCE GSHXMPVVHV IDVESGNLQS LTNAIEHLGY EVQLVKSPKD FNISGTSRLI DATA SEQUENCE LPGVGNYGHF VDNLFNRGFE KPIREYIESG KPIMGIXVGL QALFAGSVES DATA SEQUENCE PKSTGLNYID FKLSRFDDSE KPVPEIGWNS CIPSENLFFG LDPYKRYYFV DATA SEQUENCE HSFAAILNSE KKKNLENDGW KIAKAKYGSE EFIAAVNKNN IFATQFHPEK DATA SEQUENCE SGKAGLNVIE NFLKQQSPPI PNYSAEEKEL LMNDYSNYGL TRRIIACLDV DATA SEQUENCE RTNDQGDLVV TXKGDXXXXX XXXXXXXXXL GKPVQLAQKY YQQGADEVTF DATA SEQUENCE LNITXXXDCP LKDTPMLEVL KQAAKTVFVP LTVGGGIKDI VDVDGTKIPA DATA SEQUENCE LEVASLYFRS GADKVSIGTD AVYAAEKYYE LGNRGDGTSP IETISKAYGA DATA SEQUENCE QAVVISVDPK RVYVNSQADT KNKVFETEYP GPNGEKYCWY QCTIKGGRES DATA SEQUENCE RDLGVWELTR ACEALGAGEI LLNCIDKDGS NSGYDLELIE HVKDAVKIPV DATA SEQUENCE IASSGAGVPE HFEEAFLKTR ADACLGAGMF HRGEFTVNDV KEYLLEHGLK DATA SEQUENCE VRMDEE 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 -3 G HA2 0.000 nan 3.960 nan 0.000 0.244 -3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -3 G C 0.000 175.001 174.900 0.168 0.000 0.946 -3 G CA 0.000 45.208 45.100 0.181 0.000 0.502 -2 S N 0.042 115.885 115.700 0.238 0.000 2.551 -2 S HA 0.146 4.616 4.470 -0.000 0.000 0.236 -2 S C 0.436 175.120 174.600 0.139 0.000 0.915 -2 S CA 0.380 58.663 58.200 0.137 0.000 1.525 -2 S CB -0.578 62.680 63.200 0.097 0.000 1.256 -2 S HN 0.908 nan 8.310 nan 0.000 0.641 2 P HA 0.213 nan 4.420 nan 0.000 0.267 2 P C -0.645 176.723 177.300 0.113 0.000 1.209 2 P CA -0.131 62.952 63.100 -0.029 0.000 0.763 2 P CB 0.744 32.423 31.700 -0.034 0.000 0.816 3 V N 4.601 124.592 119.914 0.129 0.000 2.607 3 V HA 0.185 4.304 4.120 -0.000 0.000 0.289 3 V C 0.592 176.781 176.094 0.159 0.000 1.053 3 V CA -0.414 61.951 62.300 0.109 0.000 0.996 3 V CB 1.686 33.540 31.823 0.051 0.000 0.995 3 V HN 0.282 nan 8.190 nan 0.000 0.476 4 V N 4.265 124.228 119.914 0.081 0.000 2.409 4 V HA 0.368 4.488 4.120 -0.000 0.000 0.291 4 V C -0.593 175.478 176.094 -0.038 0.000 1.020 4 V CA -0.761 61.588 62.300 0.082 0.000 0.848 4 V CB 1.345 33.190 31.823 0.037 0.000 0.990 4 V HN 0.891 nan 8.190 nan 0.000 0.430 5 H N 2.674 121.746 119.070 0.004 0.000 2.620 5 H HA 0.566 5.121 4.556 -0.000 0.000 0.313 5 H C -0.331 174.914 175.328 -0.139 0.000 1.075 5 H CA -0.178 55.829 56.048 -0.068 0.000 1.397 5 H CB 1.471 31.177 29.762 -0.095 0.000 1.446 5 H HN 0.418 nan 8.280 nan 0.000 0.493 6 V N 5.783 125.649 119.914 -0.080 0.000 2.378 6 V HA 0.181 4.301 4.120 -0.000 0.000 0.288 6 V C 0.355 176.337 176.094 -0.186 0.000 1.016 6 V CA -0.689 61.537 62.300 -0.123 0.000 0.840 6 V CB 1.072 32.845 31.823 -0.084 0.000 0.994 6 V HN 0.707 nan 8.190 nan 0.000 0.431 7 I N 4.137 124.537 120.570 -0.284 0.000 2.598 7 I HA 0.137 4.307 4.170 -0.000 0.000 0.284 7 I C -0.058 175.899 176.117 -0.267 0.000 1.140 7 I CA 0.545 61.588 61.300 -0.428 0.000 1.420 7 I CB 0.549 38.177 38.000 -0.619 0.000 1.387 7 I HN 0.620 nan 8.210 nan 0.000 0.553 8 D N 6.361 126.631 120.400 -0.217 0.000 2.462 8 D HA 0.209 4.849 4.640 -0.000 0.000 0.245 8 D C 0.460 176.726 176.300 -0.057 0.000 1.122 8 D CA -0.582 53.364 54.000 -0.090 0.000 0.864 8 D CB 1.609 42.386 40.800 -0.039 0.000 1.098 8 D HN 0.281 nan 8.370 nan 0.000 0.541 9 V N 0.732 120.622 119.914 -0.040 0.000 3.646 9 V HA 0.211 4.331 4.120 -0.000 0.000 0.277 9 V C 0.342 176.438 176.094 0.003 0.000 1.274 9 V CA -0.062 62.217 62.300 -0.035 0.000 1.164 9 V CB -1.363 30.395 31.823 -0.108 0.000 0.926 9 V HN 0.708 nan 8.190 nan 0.000 0.442 10 E N 0.119 120.336 120.200 0.028 0.000 2.252 10 E HA -0.202 4.148 4.350 -0.000 0.000 0.218 10 E C 0.171 176.820 176.600 0.083 0.000 1.253 10 E CA 0.808 57.239 56.400 0.051 0.000 0.705 10 E CB -1.671 28.058 29.700 0.047 0.000 1.172 10 E HN 0.756 nan 8.360 nan 0.000 0.369 11 S N -0.378 115.386 115.700 0.106 0.000 2.603 11 S HA 0.660 5.130 4.470 -0.000 0.000 0.274 11 S C -0.061 174.681 174.600 0.237 0.000 1.168 11 S CA 0.461 58.779 58.200 0.195 0.000 0.963 11 S CB 1.703 64.962 63.200 0.097 0.000 1.078 11 S HN 1.092 nan 8.310 nan 0.000 0.477 12 G N 3.898 112.903 108.800 0.341 0.000 2.728 12 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.294 12 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.294 12 G C -0.694 174.269 174.900 0.105 0.000 1.342 12 G CA -0.395 44.829 45.100 0.208 0.000 0.866 12 G HN 1.003 nan 8.290 nan 0.000 0.534 13 N N -0.156 118.557 118.700 0.022 0.000 2.405 13 N HA 0.398 5.138 4.740 -0.000 0.000 0.260 13 N C 0.787 176.300 175.510 0.006 0.000 1.152 13 N CA -0.282 52.778 53.050 0.017 0.000 0.948 13 N CB 0.996 39.471 38.487 -0.020 0.000 1.111 13 N HN 0.710 nan 8.380 nan 0.000 0.485 14 L N 2.950 124.186 121.223 0.021 0.000 2.858 14 L HA 0.295 4.635 4.340 -0.000 0.000 0.251 14 L C 1.592 178.476 176.870 0.023 0.000 1.149 14 L CA 0.337 55.187 54.840 0.016 0.000 0.955 14 L CB -0.046 42.022 42.059 0.014 0.000 1.289 14 L HN 0.549 nan 8.230 nan 0.000 0.542 15 Q N -0.631 119.181 119.800 0.020 0.000 2.050 15 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 15 Q C 2.121 178.148 176.000 0.045 0.000 0.980 15 Q CA 1.839 57.653 55.803 0.018 0.000 0.840 15 Q CB -0.407 28.326 28.738 -0.008 0.000 0.898 15 Q HN 0.469 nan 8.270 nan 0.000 0.424 16 S N 1.503 117.232 115.700 0.049 0.000 2.359 16 S HA -0.153 4.317 4.470 -0.000 0.000 0.224 16 S C 1.963 176.692 174.600 0.215 0.000 1.035 16 S CA 1.178 59.458 58.200 0.133 0.000 1.018 16 S CB -0.399 62.862 63.200 0.102 0.000 0.876 16 S HN 0.240 nan 8.310 nan 0.000 0.448 17 L N 2.145 123.437 121.223 0.115 0.000 2.017 17 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 17 L C 2.606 179.524 176.870 0.079 0.000 1.073 17 L CA 2.475 57.363 54.840 0.079 0.000 0.745 17 L CB -1.582 40.491 42.059 0.023 0.000 0.894 17 L HN 0.521 nan 8.230 nan 0.000 0.432 18 T N -2.899 111.698 114.554 0.072 0.000 2.708 18 T HA -0.161 4.188 4.350 -0.000 0.000 0.266 18 T C 1.839 176.610 174.700 0.119 0.000 1.037 18 T CA 1.415 63.557 62.100 0.070 0.000 1.146 18 T CB -0.747 68.149 68.868 0.047 0.000 0.865 18 T HN 0.357 nan 8.240 nan 0.000 0.435 19 N N 2.200 121.000 118.700 0.166 0.000 2.223 19 N HA 0.064 4.803 4.740 -0.000 0.000 0.185 19 N C 2.237 177.964 175.510 0.361 0.000 1.016 19 N CA 1.393 54.591 53.050 0.247 0.000 0.863 19 N CB -0.693 37.923 38.487 0.214 0.000 0.983 19 N HN 0.647 nan 8.380 nan 0.000 0.429 20 A N 1.324 124.325 122.820 0.302 0.000 1.873 20 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 20 A C 2.329 179.949 177.584 0.060 0.000 1.186 20 A CA 0.822 52.848 52.037 -0.020 0.000 0.616 20 A CB -0.606 18.304 19.000 -0.150 0.000 0.823 20 A HN 0.180 nan 8.150 nan 0.000 0.442 21 I N -0.328 120.285 120.570 0.073 0.000 2.179 21 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 21 I C 2.494 178.707 176.117 0.160 0.000 1.088 21 I CA 1.655 62.992 61.300 0.062 0.000 1.357 21 I CB -0.496 37.520 38.000 0.027 0.000 1.051 21 I HN 0.431 nan 8.210 nan 0.000 0.409 22 E N -0.221 120.081 120.200 0.169 0.000 2.110 22 E HA -0.291 4.059 4.350 -0.000 0.000 0.193 22 E C 2.051 178.773 176.600 0.203 0.000 0.988 22 E CA 1.301 57.806 56.400 0.176 0.000 0.804 22 E CB -0.281 29.511 29.700 0.152 0.000 0.745 22 E HN 0.513 nan 8.360 nan 0.000 0.458 23 H N 0.711 119.861 119.070 0.133 0.000 2.456 23 H HA -0.033 4.523 4.556 -0.000 0.000 0.296 23 H C 1.591 176.984 175.328 0.109 0.000 1.079 23 H CA 1.068 57.194 56.048 0.130 0.000 1.322 23 H CB -0.019 29.832 29.762 0.149 0.000 1.388 23 H HN 0.059 nan 8.280 nan 0.000 0.538 24 L N -0.921 120.348 121.223 0.078 0.000 2.591 24 L HA 0.183 4.523 4.340 -0.000 0.000 0.228 24 L C 1.375 178.355 176.870 0.184 0.000 1.133 24 L CA 0.515 55.412 54.840 0.095 0.000 0.880 24 L CB 0.152 42.315 42.059 0.174 0.000 1.033 24 L HN 0.610 nan 8.230 nan 0.000 0.450 25 G N -1.113 107.753 108.800 0.110 0.000 2.130 25 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 25 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 25 G C -0.293 174.513 174.900 -0.156 0.000 0.999 25 G CA -0.451 44.626 45.100 -0.038 0.000 0.686 25 G HN 0.221 nan 8.290 nan 0.000 0.515 26 Y N -0.251 120.032 120.300 -0.028 0.000 2.549 26 Y HA 0.690 5.240 4.550 -0.000 0.000 0.339 26 Y C 0.474 176.353 175.900 -0.035 0.000 1.053 26 Y CA -1.220 56.858 58.100 -0.036 0.000 1.105 26 Y CB 1.347 39.804 38.460 -0.006 0.000 1.258 26 Y HN 0.186 nan 8.280 nan 0.000 0.478 27 E N 0.935 121.197 120.200 0.104 0.000 2.191 27 E HA 0.568 4.918 4.350 -0.000 0.000 0.278 27 E C -1.631 175.000 176.600 0.051 0.000 0.972 27 E CA -0.604 55.826 56.400 0.050 0.000 0.804 27 E CB 1.227 30.930 29.700 0.006 0.000 1.110 27 E HN 0.435 nan 8.360 nan 0.000 0.394 28 V N 3.865 123.797 119.914 0.030 0.000 2.481 28 V HA 0.204 4.324 4.120 -0.000 0.000 0.286 28 V C -0.338 175.720 176.094 -0.060 0.000 1.042 28 V CA -0.509 61.784 62.300 -0.012 0.000 0.928 28 V CB 1.423 33.252 31.823 0.009 0.000 0.986 28 V HN 0.657 nan 8.190 nan 0.000 0.462 29 Q N 4.444 124.153 119.800 -0.152 0.000 2.339 29 Q HA 0.502 4.842 4.340 -0.000 0.000 0.268 29 Q C -1.287 174.635 176.000 -0.130 0.000 1.027 29 Q CA -0.215 55.475 55.803 -0.187 0.000 0.759 29 Q CB 1.354 29.823 28.738 -0.447 0.000 1.244 29 Q HN 0.715 nan 8.270 nan 0.000 0.464 30 L N 3.611 124.804 121.223 -0.050 0.000 2.367 30 L HA 0.445 4.785 4.340 -0.000 0.000 0.275 30 L C -0.490 176.382 176.870 0.003 0.000 1.129 30 L CA -0.782 54.040 54.840 -0.030 0.000 0.839 30 L CB 1.052 43.106 42.059 -0.008 0.000 1.133 30 L HN 0.402 nan 8.230 nan 0.000 0.453 31 V N 4.327 124.224 119.914 -0.029 0.000 2.284 31 V HA 0.190 4.310 4.120 -0.000 0.000 0.274 31 V C 0.624 176.764 176.094 0.077 0.000 1.023 31 V CA -0.550 61.761 62.300 0.018 0.000 0.808 31 V CB 0.871 32.585 31.823 -0.182 0.000 1.035 31 V HN 0.753 nan 8.190 nan 0.000 0.445 32 K N 1.659 122.156 120.400 0.161 0.000 2.323 32 K HA 0.211 4.531 4.320 -0.000 0.000 0.197 32 K C 0.788 177.600 176.600 0.354 0.000 1.043 32 K CA 0.381 56.785 56.287 0.196 0.000 0.997 32 K CB 0.728 33.293 32.500 0.109 0.000 0.807 32 K HN 0.543 nan 8.250 nan 0.000 0.497 33 S N -0.033 115.860 115.700 0.322 0.000 2.546 33 S HA 0.298 4.767 4.470 -0.000 0.000 0.274 33 S C -2.581 172.035 174.600 0.028 0.000 1.121 33 S CA -1.586 56.651 58.200 0.062 0.000 0.887 33 S CB 1.660 64.871 63.200 0.019 0.000 1.094 33 S HN -0.255 nan 8.310 nan 0.000 0.474 34 P HA 0.017 nan 4.420 nan 0.000 0.228 34 P C 0.331 177.704 177.300 0.122 0.000 1.151 34 P CA 0.902 63.998 63.100 -0.008 0.000 0.770 34 P CB -0.016 31.523 31.700 -0.268 0.000 0.786 35 K N -0.826 119.609 120.400 0.058 0.000 2.366 35 K HA -0.025 4.295 4.320 -0.000 0.000 0.198 35 K C 0.924 177.605 176.600 0.135 0.000 1.044 35 K CA 0.764 57.087 56.287 0.060 0.000 0.973 35 K CB -0.288 32.226 32.500 0.024 0.000 0.767 35 K HN 0.122 nan 8.250 nan 0.000 0.475 36 D N 0.532 121.066 120.400 0.223 0.000 2.363 36 D HA -0.001 4.638 4.640 -0.000 0.000 0.226 36 D C 0.115 176.652 176.300 0.395 0.000 1.020 36 D CA 0.595 54.749 54.000 0.257 0.000 0.892 36 D CB -0.032 40.902 40.800 0.225 0.000 0.900 36 D HN 0.272 nan 8.370 nan 0.000 0.531 37 F N -0.211 119.798 119.950 0.098 0.000 2.678 37 F HA 0.437 4.964 4.527 -0.000 0.000 0.308 37 F C -1.585 174.221 175.800 0.010 0.000 1.118 37 F CA -1.579 56.454 58.000 0.054 0.000 0.959 37 F CB 1.160 40.169 39.000 0.016 0.000 1.305 37 F HN -0.248 nan 8.300 nan 0.000 0.443 38 N N 2.934 121.468 118.700 -0.277 0.000 2.272 38 N HA 0.387 5.126 4.740 -0.000 0.000 0.305 38 N C 0.247 175.558 175.510 -0.332 0.000 1.103 38 N CA -0.938 51.895 53.050 -0.362 0.000 0.791 38 N CB 1.522 39.924 38.487 -0.142 0.000 1.356 38 N HN 0.575 nan 8.380 nan 0.000 0.486 39 I N 0.605 121.008 120.570 -0.278 0.000 2.091 39 I HA -0.292 3.878 4.170 -0.000 0.000 0.239 39 I C 2.317 178.445 176.117 0.017 0.000 1.061 39 I CA 1.977 63.241 61.300 -0.060 0.000 1.317 39 I CB -1.810 36.163 38.000 -0.045 0.000 1.031 39 I HN 0.844 nan 8.210 nan 0.000 0.401 40 S N 0.869 116.556 115.700 -0.022 0.000 2.402 40 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 40 S C 1.936 176.553 174.600 0.028 0.000 1.030 40 S CA 1.283 59.484 58.200 0.001 0.000 1.003 40 S CB -1.184 62.009 63.200 -0.011 0.000 0.813 40 S HN 0.511 nan 8.310 nan 0.000 0.477 41 G N 0.275 109.088 108.800 0.021 0.000 3.189 41 G HA2 0.335 4.295 3.960 -0.000 0.000 0.225 41 G HA3 0.335 4.295 3.960 -0.000 0.000 0.225 41 G C -0.019 174.920 174.900 0.065 0.000 1.159 41 G CA -0.085 45.049 45.100 0.056 0.000 0.763 41 G HN 0.480 nan 8.290 nan 0.000 0.549 42 T N 0.449 115.029 114.554 0.043 0.000 2.770 42 T HA 0.398 4.748 4.350 -0.000 0.000 0.283 42 T C 1.159 176.021 174.700 0.271 0.000 0.988 42 T CA -0.090 62.025 62.100 0.025 0.000 0.957 42 T CB 1.689 70.526 68.868 -0.052 0.000 0.930 42 T HN 0.170 nan 8.240 nan 0.000 0.443 43 S N 2.668 118.527 115.700 0.266 0.000 2.524 43 S HA 0.266 4.736 4.470 -0.000 0.000 0.222 43 S C 0.626 175.392 174.600 0.276 0.000 1.040 43 S CA -0.485 57.864 58.200 0.248 0.000 0.915 43 S CB 0.469 63.769 63.200 0.167 0.000 0.831 43 S HN 0.396 nan 8.310 nan 0.000 0.492 44 R N 0.929 121.597 120.500 0.281 0.000 2.502 44 R HA 0.566 4.905 4.340 -0.000 0.000 0.298 44 R C -2.000 174.431 176.300 0.219 0.000 1.018 44 R CA -0.435 55.818 56.100 0.254 0.000 0.899 44 R CB 1.591 31.986 30.300 0.159 0.000 1.181 44 R HN 0.325 nan 8.270 nan 0.000 0.444 45 L N 4.141 125.464 121.223 0.167 0.000 2.346 45 L HA 0.648 4.988 4.340 -0.000 0.000 0.276 45 L C -0.916 175.937 176.870 -0.029 0.000 1.006 45 L CA -0.494 54.293 54.840 -0.089 0.000 0.817 45 L CB 1.526 43.224 42.059 -0.601 0.000 1.272 45 L HN 0.561 nan 8.230 nan 0.000 0.421 46 I N 5.586 126.089 120.570 -0.112 0.000 2.498 46 I HA 0.315 4.485 4.170 -0.000 0.000 0.290 46 I C -1.100 174.896 176.117 -0.202 0.000 1.032 46 I CA -0.764 60.427 61.300 -0.181 0.000 1.073 46 I CB 2.081 39.991 38.000 -0.150 0.000 1.251 46 I HN 0.434 nan 8.210 nan 0.000 0.426 47 L N 9.499 130.594 121.223 -0.213 0.000 2.504 47 L HA 0.519 4.859 4.340 -0.000 0.000 0.249 47 L C -2.386 174.375 176.870 -0.182 0.000 1.120 47 L CA -1.864 52.878 54.840 -0.164 0.000 0.997 47 L CB 0.232 42.232 42.059 -0.099 0.000 1.349 47 L HN 0.240 nan 8.230 nan 0.000 0.439 48 P HA 0.415 nan 4.420 nan 0.000 0.271 48 P C -0.337 176.732 177.300 -0.386 0.000 1.218 48 P CA -0.020 62.938 63.100 -0.236 0.000 0.780 48 P CB 1.353 32.969 31.700 -0.141 0.000 0.901 49 G N 0.243 108.698 108.800 -0.575 0.000 2.759 49 G HA2 0.568 4.528 3.960 -0.000 0.000 0.297 49 G HA3 0.568 4.528 3.960 -0.000 0.000 0.297 49 G C -1.245 173.341 174.900 -0.524 0.000 1.434 49 G CA -0.615 43.849 45.100 -1.061 0.000 0.980 49 G HN 0.507 nan 8.290 nan 0.000 0.531 50 V N -0.735 118.958 119.914 -0.369 0.000 3.049 50 V HA 1.012 5.132 4.120 -0.000 0.000 0.309 50 V C 0.655 176.724 176.094 -0.042 0.000 1.148 50 V CA 0.083 62.315 62.300 -0.114 0.000 0.990 50 V CB 1.203 33.010 31.823 -0.027 0.000 1.039 50 V HN 2.791 nan 8.190 nan 0.000 0.430 51 G N 1.762 110.575 108.800 0.023 0.000 2.698 51 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.225 51 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.225 51 G C -0.184 174.744 174.900 0.047 0.000 1.345 51 G CA -0.066 45.072 45.100 0.065 0.000 0.871 51 G HN 1.735 nan 8.290 nan 0.000 0.540 52 N N 0.003 118.728 118.700 0.042 0.000 2.219 52 N HA -0.066 4.673 4.740 -0.000 0.000 0.263 52 N C 1.343 176.893 175.510 0.067 0.000 1.269 52 N CA 1.062 54.129 53.050 0.029 0.000 0.831 52 N CB 0.191 38.670 38.487 -0.015 0.000 1.059 52 N HN 0.718 nan 8.380 nan 0.000 0.475 53 Y N 4.066 124.300 120.300 -0.111 0.000 2.070 53 Y HA -0.146 4.403 4.550 -0.000 0.000 0.280 53 Y C 2.165 178.030 175.900 -0.058 0.000 1.148 53 Y CA 2.541 60.581 58.100 -0.100 0.000 1.125 53 Y CB -0.685 37.649 38.460 -0.210 0.000 0.975 53 Y HN 0.683 nan 8.280 nan 0.000 0.492 54 G N -1.702 107.140 108.800 0.069 0.000 2.440 54 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.218 54 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.218 54 G C 1.425 176.284 174.900 -0.068 0.000 1.154 54 G CA 1.242 46.325 45.100 -0.028 0.000 0.767 54 G HN 0.593 nan 8.290 nan 0.000 0.552 55 H N -0.406 118.596 119.070 -0.112 0.000 2.387 55 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 55 H C 1.945 177.203 175.328 -0.117 0.000 1.099 55 H CA 1.753 57.729 56.048 -0.121 0.000 1.315 55 H CB -0.320 29.355 29.762 -0.144 0.000 1.380 55 H HN 0.325 nan 8.280 nan 0.000 0.513 56 F N -0.215 119.542 119.950 -0.322 0.000 2.123 56 F HA -0.023 4.504 4.527 -0.000 0.000 0.289 56 F C 2.305 177.858 175.800 -0.412 0.000 1.099 56 F CA 1.203 58.969 58.000 -0.390 0.000 1.234 56 F CB -0.772 38.024 39.000 -0.339 0.000 1.034 56 F HN 0.019 nan 8.300 nan 0.000 0.479 57 V N 0.938 120.459 119.914 -0.655 0.000 2.407 57 V HA -0.292 3.827 4.120 -0.000 0.000 0.248 57 V C 2.073 177.736 176.094 -0.718 0.000 1.055 57 V CA 2.194 63.956 62.300 -0.896 0.000 1.049 57 V CB -0.782 30.456 31.823 -0.975 0.000 0.662 57 V HN 0.322 nan 8.190 nan 0.000 0.455 58 D N 0.058 120.197 120.400 -0.435 0.000 2.097 58 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 58 D C 2.125 178.304 176.300 -0.201 0.000 0.989 58 D CA 1.324 55.179 54.000 -0.242 0.000 0.827 58 D CB -0.472 40.245 40.800 -0.138 0.000 0.966 58 D HN 0.368 nan 8.370 nan 0.000 0.456 59 N N 0.753 119.285 118.700 -0.281 0.000 2.058 59 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 59 N C 1.917 177.317 175.510 -0.184 0.000 1.037 59 N CA 0.597 53.507 53.050 -0.233 0.000 0.848 59 N CB -0.478 37.815 38.487 -0.322 0.000 1.021 59 N HN 0.116 nan 8.380 nan 0.000 0.422 60 L N -0.006 120.993 121.223 -0.372 0.000 2.012 60 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 60 L C 1.974 179.000 176.870 0.259 0.000 1.073 60 L CA 1.633 56.358 54.840 -0.192 0.000 0.748 60 L CB -0.804 40.890 42.059 -0.608 0.000 0.891 60 L HN 0.058 nan 8.230 nan 0.000 0.431 61 F N -0.301 119.577 119.950 -0.120 0.000 2.293 61 F HA -0.060 4.467 4.527 -0.000 0.000 0.297 61 F C 2.478 178.248 175.800 -0.049 0.000 1.089 61 F CA 0.573 58.541 58.000 -0.054 0.000 1.377 61 F CB -1.313 37.645 39.000 -0.070 0.000 1.051 61 F HN 0.231 nan 8.300 nan 0.000 0.511 62 N N 0.571 119.345 118.700 0.124 0.000 2.166 62 N HA -0.147 4.592 4.740 -0.000 0.000 0.186 62 N C 1.759 177.275 175.510 0.010 0.000 1.019 62 N CA 0.849 53.924 53.050 0.041 0.000 0.856 62 N CB -0.272 38.218 38.487 0.006 0.000 0.993 62 N HN 0.287 nan 8.380 nan 0.000 0.426 63 R N -0.025 120.493 120.500 0.030 0.000 2.323 63 R HA 0.056 4.395 4.340 -0.000 0.000 0.198 63 R C 0.790 176.957 176.300 -0.222 0.000 0.988 63 R CA 0.490 56.566 56.100 -0.039 0.000 1.041 63 R CB 0.021 30.387 30.300 0.110 0.000 0.926 63 R HN 0.207 nan 8.270 nan 0.000 0.476 64 G N 0.322 109.043 108.800 -0.132 0.000 2.171 64 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.238 64 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.238 64 G C 0.333 175.086 174.900 -0.245 0.000 1.039 64 G CA -0.219 44.766 45.100 -0.192 0.000 0.759 64 G HN 0.372 nan 8.290 nan 0.000 0.501 65 F N -0.013 119.936 119.950 -0.002 0.000 2.664 65 F HA 0.178 4.705 4.527 -0.000 0.000 0.296 65 F C 2.281 178.063 175.800 -0.030 0.000 1.125 65 F CA 1.072 59.090 58.000 0.030 0.000 1.444 65 F CB 0.176 39.201 39.000 0.042 0.000 1.114 65 F HN 0.443 nan 8.300 nan 0.000 0.576 66 E N 1.325 121.463 120.200 -0.105 0.000 2.021 66 E HA -0.278 4.072 4.350 -0.000 0.000 0.200 66 E C 2.038 178.583 176.600 -0.092 0.000 1.015 66 E CA 1.977 58.178 56.400 -0.331 0.000 0.824 66 E CB -0.003 29.186 29.700 -0.851 0.000 0.762 66 E HN 0.304 nan 8.360 nan 0.000 0.454 67 K N 0.109 120.454 120.400 -0.091 0.000 2.009 67 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 67 K C -0.630 176.001 176.600 0.052 0.000 1.049 67 K CA 1.896 58.165 56.287 -0.030 0.000 0.929 67 K CB -0.968 31.498 32.500 -0.056 0.000 0.714 67 K HN 0.348 nan 8.250 nan 0.000 0.440 68 P HA -0.152 nan 4.420 nan 0.000 0.219 68 P C 1.336 178.834 177.300 0.330 0.000 1.146 68 P CA 1.396 64.605 63.100 0.181 0.000 0.808 68 P CB -0.055 31.820 31.700 0.292 0.000 0.779 69 I N -0.429 120.333 120.570 0.319 0.000 2.286 69 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 69 I C 2.873 179.167 176.117 0.296 0.000 1.104 69 I CA 1.111 62.603 61.300 0.320 0.000 1.397 69 I CB -0.363 37.797 38.000 0.267 0.000 1.072 69 I HN -0.164 nan 8.210 nan 0.000 0.417 70 R N 0.627 121.264 120.500 0.228 0.000 2.075 70 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 70 R C 2.156 178.556 176.300 0.167 0.000 1.126 70 R CA 1.311 57.546 56.100 0.225 0.000 0.963 70 R CB -0.278 30.107 30.300 0.140 0.000 0.858 70 R HN 0.419 nan 8.270 nan 0.000 0.435 71 E N -0.219 120.058 120.200 0.130 0.000 2.077 71 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 71 E C 1.730 178.382 176.600 0.087 0.000 0.989 71 E CA 1.236 57.683 56.400 0.079 0.000 0.800 71 E CB -0.142 29.583 29.700 0.042 0.000 0.746 71 E HN 0.322 nan 8.360 nan 0.000 0.452 72 Y N 1.174 121.515 120.300 0.068 0.000 2.181 72 Y HA -0.183 4.367 4.550 -0.000 0.000 0.288 72 Y C 1.950 177.890 175.900 0.066 0.000 1.146 72 Y CA 1.327 59.474 58.100 0.080 0.000 1.164 72 Y CB -0.075 38.487 38.460 0.171 0.000 0.982 72 Y HN -0.038 nan 8.280 nan 0.000 0.515 73 I N 0.113 120.744 120.570 0.102 0.000 2.286 73 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 73 I C 1.990 178.066 176.117 -0.068 0.000 1.115 73 I CA 1.707 63.008 61.300 0.002 0.000 1.392 73 I CB -0.356 37.673 38.000 0.048 0.000 1.065 73 I HN 0.298 nan 8.210 nan 0.000 0.418 74 E N 0.344 120.533 120.200 -0.019 0.000 2.268 74 E HA -0.160 4.189 4.350 -0.000 0.000 0.195 74 E C 2.130 178.680 176.600 -0.082 0.000 0.995 74 E CA 1.280 57.663 56.400 -0.029 0.000 0.836 74 E CB -0.045 29.659 29.700 0.006 0.000 0.763 74 E HN 0.493 nan 8.360 nan 0.000 0.491 75 S N -0.416 115.197 115.700 -0.145 0.000 2.515 75 S HA 0.007 4.476 4.470 -0.000 0.000 0.231 75 S C 1.760 176.248 174.600 -0.186 0.000 0.987 75 S CA 0.650 58.745 58.200 -0.175 0.000 0.936 75 S CB -0.006 63.045 63.200 -0.248 0.000 0.766 75 S HN 0.374 nan 8.310 nan 0.000 0.528 76 G N 0.775 109.456 108.800 -0.197 0.000 2.159 76 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.256 76 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.256 76 G C -0.030 174.769 174.900 -0.170 0.000 0.977 76 G CA 0.358 45.366 45.100 -0.153 0.000 0.652 76 G HN 0.615 nan 8.290 nan 0.000 0.531 77 K N 0.770 120.983 120.400 -0.312 0.000 2.118 77 K HA 0.446 4.766 4.320 -0.000 0.000 0.264 77 K C -2.529 174.032 176.600 -0.066 0.000 1.000 77 K CA -1.946 54.197 56.287 -0.240 0.000 0.929 77 K CB 0.949 33.247 32.500 -0.337 0.000 1.021 77 K HN -0.035 nan 8.250 nan 0.000 0.463 78 P HA 0.058 nan 4.420 nan 0.000 0.267 78 P C -0.811 176.884 177.300 0.658 0.000 1.209 78 P CA 0.360 63.645 63.100 0.309 0.000 0.763 78 P CB 0.361 32.059 31.700 -0.003 0.000 0.816 79 I N 3.771 124.707 120.570 0.610 0.000 2.582 79 I HA 0.533 4.703 4.170 -0.000 0.000 0.292 79 I C -1.128 174.970 176.117 -0.032 0.000 1.066 79 I CA -1.363 60.164 61.300 0.377 0.000 1.053 79 I CB 1.602 39.784 38.000 0.303 0.000 1.241 79 I HN 0.246 nan 8.210 nan 0.000 0.421 80 M N 6.969 126.284 119.600 -0.475 0.000 2.197 80 M HA 0.581 5.061 4.480 -0.000 0.000 0.301 80 M C -0.947 175.040 176.300 -0.521 0.000 0.987 80 M CA -0.416 54.393 55.300 -0.817 0.000 0.921 80 M CB 1.630 33.252 32.600 -1.629 0.000 1.569 80 M HN 0.685 nan 8.290 nan 0.000 0.431 81 G N 5.307 113.822 108.800 -0.475 0.000 2.371 81 G HA2 0.727 4.687 3.960 -0.000 0.000 0.326 81 G HA3 0.727 4.687 3.960 -0.000 0.000 0.326 81 G C -0.958 173.643 174.900 -0.498 0.000 1.127 81 G CA -0.569 44.304 45.100 -0.377 0.000 0.885 81 G HN 0.773 nan 8.290 nan 0.000 0.477 85 G N 0.646 109.150 108.800 -0.493 0.000 2.422 85 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 85 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 85 G C 1.349 176.160 174.900 -0.148 0.000 1.140 85 G CA 1.383 46.310 45.100 -0.288 0.000 0.775 85 G HN 0.471 nan 8.290 nan 0.000 0.545 86 L N -0.411 120.698 121.223 -0.191 0.000 2.068 86 L HA 0.070 4.409 4.340 -0.000 0.000 0.204 86 L C 2.873 179.828 176.870 0.142 0.000 1.076 86 L CA 1.090 55.885 54.840 -0.076 0.000 0.753 86 L CB -0.269 41.683 42.059 -0.178 0.000 0.910 86 L HN 0.202 nan 8.230 nan 0.000 0.439 87 Q N 0.137 119.963 119.800 0.042 0.000 2.226 87 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 87 Q C 2.164 178.425 176.000 0.435 0.000 0.975 87 Q CA 1.281 57.162 55.803 0.130 0.000 0.866 87 Q CB -0.323 28.472 28.738 0.096 0.000 0.915 87 Q HN 0.709 nan 8.270 nan 0.000 0.440 88 A N 0.814 123.801 122.820 0.277 0.000 2.121 88 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 88 A C 1.911 179.666 177.584 0.285 0.000 1.154 88 A CA 0.708 52.879 52.037 0.224 0.000 0.679 88 A CB -0.362 18.731 19.000 0.156 0.000 0.795 88 A HN 0.280 nan 8.150 nan 0.000 0.458 89 L N -1.630 119.770 121.223 0.295 0.000 2.395 89 L HA 0.088 4.428 4.340 -0.000 0.000 0.218 89 L C 0.498 177.368 176.870 0.000 0.000 1.130 89 L CA -0.165 54.797 54.840 0.203 0.000 0.826 89 L CB -0.300 41.773 42.059 0.024 0.000 0.941 89 L HN 0.272 nan 8.230 nan 0.000 0.451 90 F N -0.681 119.252 119.950 -0.028 0.000 2.291 90 F HA 0.312 4.838 4.527 -0.000 0.000 0.305 90 F C 1.549 177.301 175.800 -0.080 0.000 1.171 90 F CA -0.118 57.782 58.000 -0.167 0.000 1.090 90 F CB 0.288 39.074 39.000 -0.357 0.000 1.436 90 F HN -0.278 nan 8.300 nan 0.000 0.509 91 A N -0.012 122.838 122.820 0.050 0.000 2.015 91 A HA 0.419 4.739 4.320 -0.000 0.000 0.219 91 A C 1.034 178.639 177.584 0.035 0.000 1.163 91 A CA 1.554 53.611 52.037 0.034 0.000 0.646 91 A CB -0.981 18.033 19.000 0.024 0.000 0.806 91 A HN 1.096 nan 8.150 nan 0.000 0.448 92 G N -2.608 106.169 108.800 -0.038 0.000 2.351 92 G HA2 0.431 4.391 3.960 -0.000 0.000 0.279 92 G HA3 0.431 4.391 3.960 -0.000 0.000 0.279 92 G C -0.921 173.605 174.900 -0.623 0.000 1.297 92 G CA 0.290 45.262 45.100 -0.212 0.000 0.886 92 G HN 0.968 nan 8.290 nan 0.000 0.493 93 S N -1.722 113.477 115.700 -0.836 0.000 2.546 93 S HA 0.482 4.952 4.470 -0.000 0.000 0.272 93 S C 0.851 175.160 174.600 -0.484 0.000 1.140 93 S CA 0.220 57.947 58.200 -0.788 0.000 0.920 93 S CB 1.781 64.215 63.200 -1.277 0.000 1.083 93 S HN 1.314 nan 8.310 nan 0.000 0.476 94 V N 4.284 124.013 119.914 -0.309 0.000 3.026 94 V HA -0.080 4.039 4.120 -0.000 0.000 0.265 94 V C 2.353 178.284 176.094 -0.271 0.000 1.121 94 V CA 2.216 64.416 62.300 -0.166 0.000 1.142 94 V CB -0.760 31.070 31.823 0.012 0.000 0.730 94 V HN 0.946 nan 8.190 nan 0.000 0.503 95 E N 0.356 120.136 120.200 -0.700 0.000 2.106 95 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 95 E C 0.625 177.002 176.600 -0.372 0.000 0.984 95 E CA 1.100 56.956 56.400 -0.907 0.000 0.806 95 E CB 0.176 28.943 29.700 -1.555 0.000 0.750 95 E HN 0.573 nan 8.360 nan 0.000 0.458 96 S N 1.368 116.900 115.700 -0.281 0.000 2.259 96 S HA 0.223 4.693 4.470 -0.000 0.000 0.181 96 S C -2.274 172.271 174.600 -0.091 0.000 1.589 96 S CA -1.077 57.060 58.200 -0.104 0.000 1.234 96 S CB 1.590 64.807 63.200 0.027 0.000 1.119 96 S HN 0.119 nan 8.310 nan 0.000 0.458 97 P HA -0.097 nan 4.420 nan 0.000 0.218 97 P C 0.853 178.133 177.300 -0.034 0.000 1.148 97 P CA 1.161 64.222 63.100 -0.066 0.000 0.822 97 P CB 0.148 31.822 31.700 -0.044 0.000 0.784 98 K N -1.323 119.067 120.400 -0.017 0.000 2.400 98 K HA 0.141 4.461 4.320 -0.000 0.000 0.194 98 K C 0.790 177.400 176.600 0.016 0.000 1.033 98 K CA 0.137 56.424 56.287 0.000 0.000 1.021 98 K CB 0.009 32.509 32.500 -0.000 0.000 0.808 98 K HN 0.048 nan 8.250 nan 0.000 0.505 99 S N 0.648 116.367 115.700 0.032 0.000 2.593 99 S HA 0.091 4.561 4.470 -0.000 0.000 0.269 99 S C 0.250 174.909 174.600 0.098 0.000 1.334 99 S CA -0.271 57.968 58.200 0.065 0.000 1.015 99 S CB 1.388 64.675 63.200 0.145 0.000 0.912 99 S HN 0.143 nan 8.310 nan 0.000 0.541 100 T N 0.140 114.745 114.554 0.085 0.000 2.938 100 T HA 0.752 5.101 4.350 -0.000 0.000 0.285 100 T C 0.072 174.861 174.700 0.148 0.000 1.028 100 T CA -0.284 61.889 62.100 0.121 0.000 1.005 100 T CB 1.140 70.096 68.868 0.148 0.000 1.157 100 T HN 0.710 nan 8.240 nan 0.000 0.550 101 G N 0.158 109.072 108.800 0.190 0.000 2.818 101 G HA2 0.535 4.495 3.960 -0.000 0.000 0.286 101 G HA3 0.535 4.495 3.960 -0.000 0.000 0.286 101 G C 0.431 175.479 174.900 0.247 0.000 1.364 101 G CA -0.787 44.449 45.100 0.226 0.000 0.938 101 G HN 0.750 nan 8.290 nan 0.000 0.490 102 L N -0.229 121.151 121.223 0.262 0.000 2.362 102 L HA 0.004 4.344 4.340 -0.000 0.000 0.219 102 L C 1.510 178.296 176.870 -0.138 0.000 1.134 102 L CA 0.876 55.801 54.840 0.142 0.000 0.807 102 L CB -0.315 41.924 42.059 0.301 0.000 0.927 102 L HN 0.716 nan 8.230 nan 0.000 0.447 103 N N -1.943 116.735 118.700 -0.036 0.000 2.747 103 N HA -0.284 4.456 4.740 -0.000 0.000 0.249 103 N C 0.507 175.928 175.510 -0.148 0.000 1.107 103 N CA 0.522 53.520 53.050 -0.087 0.000 0.707 103 N CB -1.448 36.998 38.487 -0.069 0.000 1.054 103 N HN 0.364 nan 8.380 nan 0.000 0.555 104 Y N -0.311 119.972 120.300 -0.029 0.000 2.314 104 Y HA 0.181 4.730 4.550 -0.000 0.000 0.293 104 Y C 1.105 176.968 175.900 -0.062 0.000 1.129 104 Y CA 0.880 59.011 58.100 0.052 0.000 1.201 104 Y CB 0.314 38.879 38.460 0.174 0.000 0.999 104 Y HN 0.248 nan 8.280 nan 0.000 0.541 105 I N 1.773 122.171 120.570 -0.287 0.000 2.355 105 I HA 0.102 4.272 4.170 -0.000 0.000 0.288 105 I C -0.808 175.146 176.117 -0.271 0.000 0.999 105 I CA -0.868 60.112 61.300 -0.533 0.000 1.163 105 I CB 1.163 38.353 38.000 -1.351 0.000 1.316 105 I HN 0.095 nan 8.210 nan 0.000 0.454 106 D N 7.617 127.999 120.400 -0.031 0.000 2.801 106 D HA 0.176 4.816 4.640 -0.000 0.000 0.232 106 D C -0.555 175.871 176.300 0.210 0.000 1.128 106 D CA -0.086 53.953 54.000 0.065 0.000 1.003 106 D CB -0.406 40.444 40.800 0.083 0.000 1.110 106 D HN 0.312 nan 8.370 nan 0.000 0.477 107 F N -2.102 117.891 119.950 0.070 0.000 2.703 107 F HA 0.539 5.066 4.527 -0.000 0.000 0.308 107 F C -1.265 174.605 175.800 0.117 0.000 1.126 107 F CA -1.347 56.703 58.000 0.084 0.000 0.959 107 F CB 1.181 40.225 39.000 0.073 0.000 1.297 107 F HN -0.297 nan 8.300 nan 0.000 0.441 108 K N 2.375 122.870 120.400 0.158 0.000 2.095 108 K HA 0.637 4.957 4.320 -0.000 0.000 0.252 108 K C -1.130 175.424 176.600 -0.076 0.000 0.977 108 K CA -0.957 55.293 56.287 -0.061 0.000 0.900 108 K CB 1.848 34.306 32.500 -0.070 0.000 1.060 108 K HN 0.590 nan 8.250 nan 0.000 0.449 109 L N 1.594 122.639 121.223 -0.297 0.000 2.426 109 L HA 0.092 4.432 4.340 -0.000 0.000 0.271 109 L C 0.460 177.274 176.870 -0.094 0.000 1.169 109 L CA 0.297 54.975 54.840 -0.270 0.000 0.836 109 L CB 0.747 42.554 42.059 -0.420 0.000 1.112 109 L HN 0.726 nan 8.230 nan 0.000 0.465 110 S N 2.106 117.784 115.700 -0.037 0.000 2.677 110 S HA 0.675 5.144 4.470 -0.000 0.000 0.304 110 S C -0.481 174.055 174.600 -0.107 0.000 1.108 110 S CA -1.126 57.083 58.200 0.015 0.000 0.944 110 S CB 1.671 64.858 63.200 -0.021 0.000 1.127 110 S HN 0.560 nan 8.310 nan 0.000 0.511 111 R N -0.037 120.353 120.500 -0.183 0.000 2.441 111 R HA 0.411 4.751 4.340 -0.000 0.000 0.284 111 R C -0.937 175.125 176.300 -0.398 0.000 1.070 111 R CA -0.574 55.164 56.100 -0.603 0.000 1.047 111 R CB 0.242 30.193 30.300 -0.581 0.000 1.016 111 R HN 0.674 nan 8.270 nan 0.000 0.477 112 F N 1.601 121.302 119.950 -0.415 0.000 2.553 112 F HA -0.068 4.459 4.527 -0.000 0.000 0.356 112 F C 1.086 176.733 175.800 -0.254 0.000 1.142 112 F CA 0.005 57.826 58.000 -0.298 0.000 1.322 112 F CB 0.464 39.288 39.000 -0.294 0.000 1.126 112 F HN 0.537 nan 8.300 nan 0.000 0.599 113 D N 2.778 123.196 120.400 0.030 0.000 2.342 113 D HA -0.028 4.611 4.640 -0.000 0.000 0.260 113 D C 0.410 176.631 176.300 -0.132 0.000 1.278 113 D CA -0.341 53.620 54.000 -0.065 0.000 0.910 113 D CB 0.386 41.148 40.800 -0.064 0.000 1.079 113 D HN 0.453 nan 8.370 nan 0.000 0.496 114 D N 1.015 121.337 120.400 -0.130 0.000 2.340 114 D HA -0.115 4.525 4.640 -0.000 0.000 0.220 114 D C 1.306 177.514 176.300 -0.154 0.000 1.039 114 D CA 0.327 54.229 54.000 -0.163 0.000 0.866 114 D CB -0.233 40.483 40.800 -0.139 0.000 0.913 114 D HN 0.232 nan 8.370 nan 0.000 0.523 115 S N 0.166 115.791 115.700 -0.125 0.000 2.461 115 S HA -0.139 4.330 4.470 -0.000 0.000 0.228 115 S C 1.594 176.130 174.600 -0.108 0.000 1.005 115 S CA 0.673 58.815 58.200 -0.097 0.000 0.942 115 S CB -0.458 62.700 63.200 -0.069 0.000 0.776 115 S HN 0.575 nan 8.310 nan 0.000 0.514 116 E N 1.236 121.342 120.200 -0.156 0.000 2.465 116 E HA 0.238 4.587 4.350 -0.000 0.000 0.209 116 E C 0.363 176.794 176.600 -0.283 0.000 0.951 116 E CA -0.373 55.935 56.400 -0.153 0.000 0.997 116 E CB 0.096 29.714 29.700 -0.136 0.000 1.025 116 E HN 0.673 nan 8.360 nan 0.000 0.500 117 K N 0.022 120.136 120.400 -0.477 0.000 2.579 117 K HA 0.456 4.776 4.320 -0.000 0.000 0.284 117 K C -3.311 172.936 176.600 -0.588 0.000 0.990 117 K CA -2.390 53.353 56.287 -0.907 0.000 0.880 117 K CB 1.398 32.992 32.500 -1.509 0.000 1.488 117 K HN -0.309 nan 8.250 nan 0.000 0.425 118 P HA 0.117 nan 4.420 nan 0.000 0.271 118 P C -0.970 176.239 177.300 -0.153 0.000 1.216 118 P CA -0.439 62.523 63.100 -0.231 0.000 0.771 118 P CB 0.783 32.412 31.700 -0.118 0.000 0.864 119 V N 5.724 125.563 119.914 -0.126 0.000 2.540 119 V HA 0.400 4.520 4.120 -0.000 0.000 0.302 119 V C -2.054 173.986 176.094 -0.090 0.000 1.035 119 V CA -2.055 60.186 62.300 -0.097 0.000 0.873 119 V CB 1.886 33.641 31.823 -0.114 0.000 0.992 119 V HN 0.537 nan 8.190 nan 0.000 0.428 120 P HA 0.157 nan 4.420 nan 0.000 0.274 120 P C -0.454 176.753 177.300 -0.155 0.000 1.237 120 P CA -0.362 62.680 63.100 -0.096 0.000 0.793 120 P CB 0.879 32.549 31.700 -0.050 0.000 0.977 121 E N 1.826 121.828 120.200 -0.330 0.000 2.351 121 E HA 0.194 4.543 4.350 -0.000 0.000 0.266 121 E C -0.819 175.604 176.600 -0.296 0.000 1.031 121 E CA -0.103 55.912 56.400 -0.642 0.000 0.911 121 E CB -0.133 28.755 29.700 -1.355 0.000 0.986 121 E HN 0.321 nan 8.360 nan 0.000 0.446 122 I N 5.009 125.444 120.570 -0.224 0.000 2.468 122 I HA 0.545 4.715 4.170 -0.000 0.000 0.284 122 I C 0.247 176.321 176.117 -0.073 0.000 1.038 122 I CA -0.448 60.778 61.300 -0.123 0.000 1.083 122 I CB 1.501 39.507 38.000 0.010 0.000 1.223 122 I HN 0.806 nan 8.210 nan 0.000 0.443 123 G N 4.803 113.487 108.800 -0.194 0.000 2.352 123 G HA2 0.117 4.076 3.960 -0.000 0.000 0.283 123 G HA3 0.117 4.076 3.960 -0.000 0.000 0.283 123 G C -2.473 172.342 174.900 -0.141 0.000 1.308 123 G CA -0.939 44.160 45.100 -0.002 0.000 0.892 123 G HN 0.343 nan 8.290 nan 0.000 0.504 124 W N 1.838 123.253 121.300 0.191 0.000 2.283 124 W HA 0.691 5.351 4.660 -0.000 0.000 0.317 124 W C 0.289 176.875 176.519 0.111 0.000 1.042 124 W CA -0.614 56.854 57.345 0.206 0.000 1.348 124 W CB 1.208 30.754 29.460 0.144 0.000 1.216 124 W HN 0.545 nan 8.180 nan 0.000 0.404 125 N N 1.131 120.009 118.700 0.298 0.000 2.592 125 N HA 0.552 5.291 4.740 -0.000 0.000 0.292 125 N C -0.667 174.959 175.510 0.195 0.000 1.260 125 N CA -0.354 52.742 53.050 0.076 0.000 0.910 125 N CB 1.872 40.163 38.487 -0.327 0.000 1.257 125 N HN 0.298 nan 8.380 nan 0.000 0.569 126 S N -1.049 114.696 115.700 0.075 0.000 2.632 126 S HA 0.570 5.039 4.470 -0.000 0.000 0.289 126 S C -0.665 173.992 174.600 0.095 0.000 1.115 126 S CA -0.745 57.513 58.200 0.097 0.000 0.889 126 S CB 0.550 63.716 63.200 -0.055 0.000 1.116 126 S HN 0.527 nan 8.310 nan 0.000 0.486 127 C N 1.960 121.331 119.300 0.119 0.000 2.435 127 C HA 0.462 4.922 4.460 -0.000 0.000 0.375 127 C C 0.763 175.749 174.990 -0.007 0.000 1.281 127 C CA -0.801 58.258 59.018 0.069 0.000 1.963 127 C CB -1.111 26.679 27.740 0.083 0.000 2.490 127 C HN 0.741 nan 8.230 nan 0.000 0.557 128 I N 5.259 125.830 120.570 0.002 0.000 2.648 128 I HA 0.122 4.292 4.170 -0.000 0.000 0.284 128 I C -1.826 174.280 176.117 -0.019 0.000 1.153 128 I CA -1.042 60.261 61.300 0.005 0.000 1.426 128 I CB 0.371 38.388 38.000 0.027 0.000 1.381 128 I HN 0.398 nan 8.210 nan 0.000 0.571 129 P HA 0.048 nan 4.420 nan 0.000 0.264 129 P C -0.736 176.580 177.300 0.027 0.000 1.193 129 P CA 0.087 63.176 63.100 -0.018 0.000 0.763 129 P CB 0.646 32.344 31.700 -0.003 0.000 0.810 130 S N 1.161 116.885 115.700 0.040 0.000 2.625 130 S HA 0.311 4.781 4.470 -0.000 0.000 0.271 130 S C 0.346 174.985 174.600 0.065 0.000 1.161 130 S CA -0.708 57.525 58.200 0.056 0.000 0.820 130 S CB 1.393 64.630 63.200 0.063 0.000 1.137 130 S HN 0.239 nan 8.310 nan 0.000 0.470 131 E N 0.719 120.962 120.200 0.072 0.000 2.502 131 E HA 0.147 4.497 4.350 -0.000 0.000 0.194 131 E C -0.162 176.488 176.600 0.083 0.000 1.062 131 E CA 0.235 56.678 56.400 0.071 0.000 0.867 131 E CB -0.190 29.549 29.700 0.065 0.000 0.888 131 E HN 0.549 nan 8.360 nan 0.000 0.510 132 N N 0.287 119.051 118.700 0.106 0.000 2.377 132 N HA 0.146 4.886 4.740 -0.000 0.000 0.259 132 N C 0.260 175.905 175.510 0.225 0.000 1.332 132 N CA -0.053 53.096 53.050 0.164 0.000 0.877 132 N CB 1.063 39.660 38.487 0.184 0.000 1.299 132 N HN 0.064 nan 8.380 nan 0.000 0.501 133 L N 0.685 121.955 121.223 0.078 0.000 2.473 133 L HA 0.270 4.609 4.340 -0.000 0.000 0.265 133 L C 0.034 176.887 176.870 -0.028 0.000 1.243 133 L CA 0.108 54.866 54.840 -0.137 0.000 0.822 133 L CB 0.109 42.092 42.059 -0.127 0.000 1.101 133 L HN 0.057 nan 8.230 nan 0.000 0.507 134 F N -2.726 117.285 119.950 0.101 0.000 2.685 134 F HA 0.486 5.013 4.527 -0.000 0.000 0.315 134 F C -0.284 175.531 175.800 0.025 0.000 1.126 134 F CA -1.660 56.323 58.000 -0.028 0.000 0.950 134 F CB 0.399 39.383 39.000 -0.027 0.000 1.360 134 F HN 0.272 nan 8.300 nan 0.000 0.469 135 F N 1.202 121.206 119.950 0.089 0.000 3.048 135 F HA -0.006 4.521 4.527 -0.000 0.000 0.269 135 F C 1.513 177.326 175.800 0.022 0.000 0.960 135 F CA 1.336 59.301 58.000 -0.058 0.000 0.909 135 F CB -1.467 37.283 39.000 -0.417 0.000 0.837 135 F HN 1.360 nan 8.300 nan 0.000 0.768 136 G N -0.498 108.376 108.800 0.124 0.000 2.189 136 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 136 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 136 G C 0.357 175.363 174.900 0.177 0.000 0.975 136 G CA 0.036 45.223 45.100 0.144 0.000 0.644 136 G HN 0.514 nan 8.290 nan 0.000 0.537 137 L N 1.169 122.474 121.223 0.137 0.000 2.667 137 L HA 0.164 4.504 4.340 -0.000 0.000 0.278 137 L C 0.226 177.199 176.870 0.172 0.000 1.217 137 L CA 0.295 55.218 54.840 0.137 0.000 0.935 137 L CB 0.338 42.370 42.059 -0.046 0.000 1.193 137 L HN 0.157 nan 8.230 nan 0.000 0.493 138 D N 6.078 126.654 120.400 0.292 0.000 2.381 138 D HA 0.263 4.902 4.640 -0.000 0.000 0.235 138 D C -1.805 174.566 176.300 0.119 0.000 1.068 138 D CA -2.076 52.064 54.000 0.235 0.000 0.832 138 D CB 2.147 43.117 40.800 0.283 0.000 1.101 138 D HN 0.141 nan 8.370 nan 0.000 0.515 139 P HA -0.064 nan 4.420 nan 0.000 0.225 139 P C 0.290 177.241 177.300 -0.582 0.000 1.148 139 P CA 0.970 63.866 63.100 -0.340 0.000 0.779 139 P CB -0.004 31.354 31.700 -0.570 0.000 0.780 140 Y N -1.286 118.941 120.300 -0.122 0.000 2.468 140 Y HA 0.226 4.776 4.550 -0.000 0.000 0.268 140 Y C 1.107 176.871 175.900 -0.226 0.000 1.177 140 Y CA -0.091 57.831 58.100 -0.296 0.000 1.265 140 Y CB 0.070 38.078 38.460 -0.752 0.000 1.103 140 Y HN -0.159 nan 8.280 nan 0.000 0.522 141 K N 0.201 120.545 120.400 -0.092 0.000 2.313 141 K HA 0.594 4.913 4.320 -0.000 0.000 0.235 141 K C -0.332 176.084 176.600 -0.307 0.000 1.035 141 K CA -1.124 55.054 56.287 -0.181 0.000 0.868 141 K CB 1.513 33.893 32.500 -0.199 0.000 1.232 141 K HN -0.187 nan 8.250 nan 0.000 0.459 142 R N 0.926 121.210 120.500 -0.361 0.000 2.740 142 R HA 0.420 4.760 4.340 -0.000 0.000 0.282 142 R C -1.166 174.972 176.300 -0.271 0.000 0.969 142 R CA -0.709 55.283 56.100 -0.180 0.000 0.918 142 R CB 1.131 31.497 30.300 0.110 0.000 1.175 142 R HN 0.581 nan 8.270 nan 0.000 0.464 143 Y N 0.156 120.614 120.300 0.263 0.000 2.499 143 Y HA 0.301 4.851 4.550 -0.000 0.000 0.347 143 Y C -0.325 175.548 175.900 -0.046 0.000 0.987 143 Y CA -1.120 56.959 58.100 -0.036 0.000 1.044 143 Y CB 1.686 39.560 38.460 -0.978 0.000 1.245 143 Y HN 0.443 nan 8.280 nan 0.000 0.461 144 Y N 3.115 123.147 120.300 -0.446 0.000 2.404 144 Y HA 0.450 5.000 4.550 -0.000 0.000 0.344 144 Y C -1.585 174.133 175.900 -0.303 0.000 0.995 144 Y CA -1.148 56.468 58.100 -0.805 0.000 1.201 144 Y CB -0.036 37.703 38.460 -1.202 0.000 1.151 144 Y HN 0.406 nan 8.280 nan 0.000 0.517 145 F N 5.090 124.596 119.950 -0.741 0.000 2.450 145 F HA 0.584 5.110 4.527 -0.000 0.000 0.332 145 F C -0.514 174.862 175.800 -0.708 0.000 1.093 145 F CA -1.079 56.628 58.000 -0.488 0.000 1.003 145 F CB 1.864 40.776 39.000 -0.146 0.000 1.151 145 F HN 0.205 nan 8.300 nan 0.000 0.474 146 V N 4.707 124.506 119.914 -0.191 0.000 2.675 146 V HA 0.484 4.604 4.120 -0.000 0.000 0.266 146 V C -1.516 174.685 176.094 0.177 0.000 0.974 146 V CA -0.016 62.234 62.300 -0.084 0.000 0.890 146 V CB 0.332 32.074 31.823 -0.136 0.000 1.055 146 V HN 1.020 nan 8.190 nan 0.000 0.477 147 H N 1.713 120.766 119.070 -0.029 0.000 3.024 147 H HA 0.572 5.128 4.556 -0.000 0.000 0.324 147 H C -0.386 174.959 175.328 0.027 0.000 1.347 147 H CA -0.289 55.773 56.048 0.023 0.000 1.182 147 H CB 1.647 31.422 29.762 0.023 0.000 1.889 147 H HN 0.005 nan 8.280 nan 0.000 0.528 148 S N 0.467 116.131 115.700 -0.060 0.000 2.514 148 S HA 0.212 4.682 4.470 -0.000 0.000 0.223 148 S C -0.389 173.764 174.600 -0.745 0.000 1.046 148 S CA -0.002 58.004 58.200 -0.324 0.000 0.914 148 S CB 0.221 63.212 63.200 -0.348 0.000 0.807 148 S HN 0.339 nan 8.310 nan 0.000 0.497 149 F N 1.277 121.055 119.950 -0.286 0.000 2.492 149 F HA 0.801 5.328 4.527 -0.000 0.000 0.327 149 F C 0.243 175.779 175.800 -0.440 0.000 1.079 149 F CA -0.899 56.865 58.000 -0.394 0.000 0.967 149 F CB 1.480 40.332 39.000 -0.247 0.000 1.169 149 F HN 0.004 nan 8.300 nan 0.000 0.472 150 A N 0.766 123.317 122.820 -0.448 0.000 2.599 150 A HA 0.799 5.119 4.320 -0.000 0.000 0.290 150 A C -1.574 175.857 177.584 -0.256 0.000 1.101 150 A CA -0.683 51.135 52.037 -0.366 0.000 0.674 150 A CB 0.767 19.323 19.000 -0.740 0.000 1.277 150 A HN 1.024 nan 8.150 nan 0.000 0.419 151 A N 1.340 124.080 122.820 -0.133 0.000 2.807 151 A HA 0.558 4.878 4.320 -0.000 0.000 0.307 151 A C -0.079 177.672 177.584 0.279 0.000 1.532 151 A CA -0.119 51.941 52.037 0.039 0.000 1.215 151 A CB -1.161 17.747 19.000 -0.153 0.000 1.127 151 A HN 0.603 nan 8.150 nan 0.000 0.543 152 I N 2.992 123.667 120.570 0.175 0.000 2.517 152 I HA 0.084 4.254 4.170 -0.000 0.000 0.285 152 I C 0.003 176.167 176.117 0.079 0.000 1.106 152 I CA 0.253 61.637 61.300 0.140 0.000 1.402 152 I CB 0.604 38.621 38.000 0.027 0.000 1.399 152 I HN 0.465 nan 8.210 nan 0.000 0.535 153 L N 7.016 128.296 121.223 0.095 0.000 2.375 153 L HA 0.470 4.810 4.340 -0.000 0.000 0.268 153 L C -0.126 176.731 176.870 -0.022 0.000 1.058 153 L CA -0.637 54.204 54.840 0.001 0.000 0.803 153 L CB 1.072 43.165 42.059 0.056 0.000 1.212 153 L HN 0.705 nan 8.230 nan 0.000 0.451 154 N N -1.519 117.142 118.700 -0.065 0.000 2.774 154 N HA 0.177 4.916 4.740 -0.000 0.000 0.264 154 N C 0.049 175.534 175.510 -0.040 0.000 1.415 154 N CA -0.621 52.401 53.050 -0.047 0.000 0.815 154 N CB 1.128 39.577 38.487 -0.062 0.000 1.514 154 N HN 0.368 nan 8.380 nan 0.000 0.523 155 S N -0.545 115.140 115.700 -0.025 0.000 2.372 155 S HA -0.279 4.191 4.470 -0.000 0.000 0.227 155 S C 1.286 175.876 174.600 -0.016 0.000 1.044 155 S CA 2.122 60.314 58.200 -0.012 0.000 1.050 155 S CB -0.502 62.694 63.200 -0.007 0.000 0.901 155 S HN 0.676 nan 8.310 nan 0.000 0.447 156 E N 0.189 120.371 120.200 -0.031 0.000 2.051 156 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 156 E C 2.172 178.745 176.600 -0.045 0.000 0.991 156 E CA 1.234 57.615 56.400 -0.031 0.000 0.799 156 E CB -0.112 29.564 29.700 -0.039 0.000 0.748 156 E HN 0.491 nan 8.360 nan 0.000 0.449 157 K N 0.440 120.780 120.400 -0.100 0.000 2.026 157 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 157 K C 2.260 178.832 176.600 -0.047 0.000 1.048 157 K CA 1.919 58.114 56.287 -0.153 0.000 0.929 157 K CB -0.128 32.144 32.500 -0.380 0.000 0.713 157 K HN 0.181 nan 8.250 nan 0.000 0.439 158 K N 0.853 121.245 120.400 -0.013 0.000 2.283 158 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 158 K C 1.740 178.381 176.600 0.068 0.000 1.048 158 K CA 1.103 57.420 56.287 0.050 0.000 0.948 158 K CB 0.024 32.559 32.500 0.058 0.000 0.742 158 K HN 0.015 nan 8.250 nan 0.000 0.458 159 K N 0.700 121.127 120.400 0.045 0.000 2.116 159 K HA 0.018 4.337 4.320 -0.000 0.000 0.203 159 K C 1.717 178.358 176.600 0.068 0.000 1.052 159 K CA 0.915 57.234 56.287 0.054 0.000 0.952 159 K CB 0.013 32.535 32.500 0.036 0.000 0.729 159 K HN 0.132 nan 8.250 nan 0.000 0.446 160 N N 1.255 119.991 118.700 0.060 0.000 2.142 160 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 160 N C 1.817 177.405 175.510 0.130 0.000 1.023 160 N CA 0.968 54.066 53.050 0.079 0.000 0.852 160 N CB -0.224 38.298 38.487 0.058 0.000 0.998 160 N HN 0.104 nan 8.380 nan 0.000 0.424 161 L N 0.747 122.053 121.223 0.139 0.000 2.046 161 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 161 L C 2.430 179.466 176.870 0.277 0.000 1.077 161 L CA 1.205 56.176 54.840 0.218 0.000 0.747 161 L CB -0.377 41.780 42.059 0.163 0.000 0.896 161 L HN 0.142 nan 8.230 nan 0.000 0.432 162 E N 0.748 121.061 120.200 0.188 0.000 2.051 162 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 162 E C 1.888 178.566 176.600 0.130 0.000 0.991 162 E CA 1.548 58.043 56.400 0.158 0.000 0.799 162 E CB -0.152 29.618 29.700 0.117 0.000 0.748 162 E HN 0.309 nan 8.360 nan 0.000 0.449 163 N N 0.808 119.576 118.700 0.114 0.000 2.289 163 N HA -0.120 4.619 4.740 -0.000 0.000 0.184 163 N C 0.822 176.392 175.510 0.099 0.000 1.016 163 N CA 1.277 54.381 53.050 0.089 0.000 0.872 163 N CB -0.292 38.240 38.487 0.075 0.000 0.973 163 N HN 0.248 nan 8.380 nan 0.000 0.433 164 D N -0.546 119.949 120.400 0.158 0.000 2.347 164 D HA 0.083 4.723 4.640 -0.000 0.000 0.215 164 D C 1.180 177.531 176.300 0.084 0.000 0.976 164 D CA 0.694 54.805 54.000 0.186 0.000 0.884 164 D CB -0.095 40.938 40.800 0.388 0.000 0.915 164 D HN 0.372 nan 8.370 nan 0.000 0.526 165 G N -0.317 108.526 108.800 0.072 0.000 2.141 165 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.231 165 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.231 165 G C -0.287 174.551 174.900 -0.104 0.000 0.984 165 G CA -0.351 44.725 45.100 -0.041 0.000 0.660 165 G HN 0.155 nan 8.290 nan 0.000 0.525 166 W N 1.633 122.949 121.300 0.026 0.000 2.316 166 W HA 0.611 5.271 4.660 -0.000 0.000 0.311 166 W C 0.787 177.335 176.519 0.048 0.000 1.217 166 W CA -0.536 56.821 57.345 0.021 0.000 1.199 166 W CB 0.815 30.298 29.460 0.038 0.000 1.202 166 W HN -0.067 nan 8.180 nan 0.000 0.528 167 K N 4.691 125.240 120.400 0.249 0.000 2.227 167 K HA 0.393 4.713 4.320 -0.000 0.000 0.280 167 K C -0.486 176.373 176.600 0.432 0.000 1.041 167 K CA -0.655 55.794 56.287 0.270 0.000 0.905 167 K CB 1.122 33.714 32.500 0.154 0.000 1.068 167 K HN 0.195 nan 8.250 nan 0.000 0.470 168 I N 2.056 122.909 120.570 0.472 0.000 2.474 168 I HA 0.286 4.455 4.170 -0.000 0.000 0.294 168 I C -0.032 176.342 176.117 0.428 0.000 1.005 168 I CA -0.900 60.679 61.300 0.465 0.000 1.113 168 I CB 1.607 39.787 38.000 0.300 0.000 1.289 168 I HN 0.606 nan 8.210 nan 0.000 0.436 169 A N 7.207 130.273 122.820 0.409 0.000 2.280 169 A HA 0.528 4.848 4.320 -0.000 0.000 0.320 169 A C 0.065 177.718 177.584 0.115 0.000 1.366 169 A CA -0.639 51.493 52.037 0.159 0.000 0.938 169 A CB 0.196 19.208 19.000 0.019 0.000 1.157 169 A HN 0.702 nan 8.150 nan 0.000 0.536 170 K N 1.200 121.631 120.400 0.052 0.000 2.087 170 K HA 0.763 5.083 4.320 -0.000 0.000 0.255 170 K C -0.117 176.403 176.600 -0.134 0.000 0.988 170 K CA -0.283 55.980 56.287 -0.041 0.000 0.915 170 K CB 1.737 34.230 32.500 -0.011 0.000 1.043 170 K HN 0.717 nan 8.250 nan 0.000 0.457 171 A N 1.326 123.915 122.820 -0.385 0.000 2.556 171 A HA 0.578 4.898 4.320 -0.000 0.000 0.294 171 A C -1.524 175.834 177.584 -0.376 0.000 1.091 171 A CA -0.755 51.014 52.037 -0.445 0.000 0.704 171 A CB 1.690 20.218 19.000 -0.787 0.000 1.300 171 A HN 0.662 nan 8.150 nan 0.000 0.406 172 K N 0.356 120.771 120.400 0.024 0.000 2.427 172 K HA 0.572 4.892 4.320 -0.000 0.000 0.252 172 K C -2.365 174.493 176.600 0.429 0.000 0.931 172 K CA -0.482 55.919 56.287 0.191 0.000 0.793 172 K CB 1.739 34.170 32.500 -0.116 0.000 1.211 172 K HN 0.700 nan 8.250 nan 0.000 0.426 173 Y N 3.774 124.208 120.300 0.223 0.000 2.327 173 Y HA 0.415 4.964 4.550 -0.000 0.000 0.325 173 Y C 0.236 176.095 175.900 -0.068 0.000 0.999 173 Y CA 0.294 58.393 58.100 -0.002 0.000 1.195 173 Y CB 1.130 39.332 38.460 -0.430 0.000 1.132 173 Y HN 0.958 nan 8.280 nan 0.000 0.455 174 G N 3.365 112.078 108.800 -0.146 0.000 2.536 174 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.280 174 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.280 174 G C 0.830 175.675 174.900 -0.092 0.000 1.152 174 G CA 0.712 45.710 45.100 -0.170 0.000 0.970 174 G HN 1.455 nan 8.290 nan 0.000 0.549 175 S N 0.368 116.007 115.700 -0.102 0.000 2.540 175 S HA 0.399 4.869 4.470 -0.000 0.000 0.218 175 S C 0.479 175.060 174.600 -0.032 0.000 0.977 175 S CA 0.936 59.093 58.200 -0.073 0.000 0.918 175 S CB 0.405 63.570 63.200 -0.059 0.000 0.806 175 S HN 0.688 nan 8.310 nan 0.000 0.496 176 E N 1.655 121.866 120.200 0.018 0.000 2.227 176 E HA 0.329 4.679 4.350 -0.000 0.000 0.282 176 E C -0.777 175.977 176.600 0.257 0.000 1.015 176 E CA -0.271 56.210 56.400 0.136 0.000 0.823 176 E CB 1.128 30.960 29.700 0.219 0.000 1.081 176 E HN 0.395 nan 8.360 nan 0.000 0.396 177 E N 3.015 123.338 120.200 0.206 0.000 2.216 177 E HA 0.385 4.735 4.350 -0.000 0.000 0.279 177 E C -1.156 175.640 176.600 0.327 0.000 0.997 177 E CA -0.470 56.046 56.400 0.193 0.000 0.817 177 E CB 0.698 30.438 29.700 0.067 0.000 1.096 177 E HN 0.345 nan 8.360 nan 0.000 0.393 178 F N 1.224 121.274 119.950 0.165 0.000 2.685 178 F HA 0.543 5.070 4.527 -0.000 0.000 0.315 178 F C -1.101 174.817 175.800 0.196 0.000 1.126 178 F CA -1.293 56.813 58.000 0.177 0.000 0.950 178 F CB 0.622 39.752 39.000 0.217 0.000 1.360 178 F HN 0.179 nan 8.300 nan 0.000 0.469 179 I N 2.507 123.240 120.570 0.271 0.000 2.421 179 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 179 I C 0.853 177.098 176.117 0.214 0.000 1.089 179 I CA -0.047 61.371 61.300 0.197 0.000 1.354 179 I CB 1.341 39.515 38.000 0.289 0.000 1.413 179 I HN 0.936 nan 8.210 nan 0.000 0.513 180 A N 5.698 128.584 122.820 0.110 0.000 1.984 180 A HA 0.567 4.886 4.320 -0.000 0.000 0.214 180 A C 0.972 178.688 177.584 0.220 0.000 1.173 180 A CA 0.963 53.193 52.037 0.321 0.000 0.673 180 A CB 0.161 19.363 19.000 0.337 0.000 0.830 180 A HN 0.764 nan 8.150 nan 0.000 0.453 181 A N -1.473 121.481 122.820 0.224 0.000 2.608 181 A HA 0.580 4.899 4.320 -0.000 0.000 0.292 181 A C -0.802 177.060 177.584 0.463 0.000 1.066 181 A CA 0.102 52.278 52.037 0.232 0.000 0.676 181 A CB 0.595 19.795 19.000 0.333 0.000 1.277 181 A HN 1.432 nan 8.150 nan 0.000 0.413 182 V N -0.933 119.205 119.914 0.373 0.000 3.040 182 V HA 0.912 5.032 4.120 -0.000 0.000 0.312 182 V C -0.626 175.551 176.094 0.139 0.000 1.115 182 V CA -0.684 61.818 62.300 0.337 0.000 0.998 182 V CB 2.007 33.950 31.823 0.199 0.000 1.042 182 V HN 1.115 nan 8.190 nan 0.000 0.433 183 N N 1.537 120.215 118.700 -0.037 0.000 2.537 183 N HA 0.434 5.173 4.740 -0.000 0.000 0.281 183 N C -1.856 173.545 175.510 -0.181 0.000 1.097 183 N CA -0.560 52.339 53.050 -0.252 0.000 0.964 183 N CB 2.078 39.901 38.487 -1.108 0.000 1.588 183 N HN 0.974 nan 8.380 nan 0.000 0.511 184 K N 3.938 124.149 120.400 -0.315 0.000 2.619 184 K HA 0.238 4.558 4.320 -0.000 0.000 0.251 184 K C -0.154 176.203 176.600 -0.405 0.000 0.987 184 K CA -0.339 55.586 56.287 -0.604 0.000 0.844 184 K CB 0.607 32.159 32.500 -1.580 0.000 1.237 184 K HN 0.781 nan 8.250 nan 0.000 0.447 185 N N 1.811 120.352 118.700 -0.265 0.000 1.518 185 N HA -0.334 4.405 4.740 -0.000 0.000 0.146 185 N C 0.445 175.911 175.510 -0.074 0.000 0.621 185 N CA 2.241 55.192 53.050 -0.164 0.000 1.108 185 N CB -1.156 37.220 38.487 -0.186 0.000 1.310 185 N HN 0.918 nan 8.380 nan 0.000 0.457 186 N N 2.087 120.749 118.700 -0.063 0.000 2.412 186 N HA 0.088 4.828 4.740 -0.000 0.000 0.184 186 N C 0.430 176.002 175.510 0.104 0.000 1.101 186 N CA 0.348 53.416 53.050 0.032 0.000 0.881 186 N CB 0.104 38.584 38.487 -0.012 0.000 0.969 186 N HN 0.590 nan 8.380 nan 0.000 0.459 187 I N 1.165 121.743 120.570 0.014 0.000 2.342 187 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 187 I C -0.894 175.323 176.117 0.166 0.000 1.010 187 I CA -0.715 60.613 61.300 0.046 0.000 1.308 187 I CB 0.600 38.562 38.000 -0.062 0.000 1.400 187 I HN -0.123 nan 8.210 nan 0.000 0.488 188 F N 6.640 126.559 119.950 -0.051 0.000 2.556 188 F HA 0.829 5.356 4.527 -0.000 0.000 0.314 188 F C -0.929 174.747 175.800 -0.207 0.000 1.106 188 F CA -0.859 57.069 58.000 -0.121 0.000 0.911 188 F CB 1.686 40.501 39.000 -0.308 0.000 1.190 188 F HN 0.471 nan 8.300 nan 0.000 0.448 189 A N 2.631 124.977 122.820 -0.790 0.000 2.589 189 A HA 0.704 5.024 4.320 -0.000 0.000 0.296 189 A C -1.161 175.921 177.584 -0.837 0.000 1.062 189 A CA -0.254 51.318 52.037 -0.775 0.000 0.686 189 A CB 1.330 20.132 19.000 -0.330 0.000 1.282 189 A HN 1.081 nan 8.150 nan 0.000 0.404 190 T N -0.967 113.038 114.554 -0.916 0.000 2.861 190 T HA 0.496 4.846 4.350 -0.000 0.000 0.287 190 T C 0.424 174.604 174.700 -0.868 0.000 1.003 190 T CA -0.415 61.057 62.100 -1.046 0.000 0.977 190 T CB 1.843 69.645 68.868 -1.776 0.000 0.996 190 T HN 0.592 nan 8.240 nan 0.000 0.448 191 Q N 1.495 120.909 119.800 -0.643 0.000 2.245 191 Q HA 0.183 4.523 4.340 -0.000 0.000 0.201 191 Q C 0.288 175.876 176.000 -0.686 0.000 0.955 191 Q CA 0.684 56.224 55.803 -0.438 0.000 0.870 191 Q CB -0.414 28.334 28.738 0.017 0.000 0.945 191 Q HN 0.798 nan 8.270 nan 0.000 0.461 192 F N -0.863 118.594 119.950 -0.822 0.000 2.368 192 F HA 0.463 4.990 4.527 -0.000 0.000 0.315 192 F C 0.048 175.454 175.800 -0.656 0.000 1.145 192 F CA -1.043 56.326 58.000 -1.053 0.000 1.095 192 F CB 0.323 38.416 39.000 -1.511 0.000 1.286 192 F HN -0.104 nan 8.300 nan 0.000 0.530 193 H N 2.676 121.685 119.070 -0.102 0.000 2.741 193 H HA 0.191 4.747 4.556 -0.000 0.000 0.282 193 H C -1.774 173.669 175.328 0.193 0.000 1.122 193 H CA -1.545 54.488 56.048 -0.025 0.000 1.293 193 H CB 1.272 31.054 29.762 0.032 0.000 1.415 193 H HN 0.434 nan 8.280 nan 0.000 0.472 194 P HA -0.169 nan 4.420 nan 0.000 0.218 194 P C 1.304 178.758 177.300 0.258 0.000 1.149 194 P CA 1.030 64.346 63.100 0.360 0.000 0.817 194 P CB 0.435 32.273 31.700 0.230 0.000 0.785 195 E N 0.488 120.799 120.200 0.186 0.000 2.409 195 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 195 E C 1.176 177.932 176.600 0.260 0.000 1.024 195 E CA 0.994 57.497 56.400 0.173 0.000 0.861 195 E CB -0.375 29.414 29.700 0.148 0.000 0.788 195 E HN 0.160 nan 8.360 nan 0.000 0.521 196 K N 0.449 120.996 120.400 0.246 0.000 2.374 196 K HA 0.239 4.559 4.320 -0.000 0.000 0.202 196 K C 0.500 177.262 176.600 0.271 0.000 1.040 196 K CA 0.058 56.453 56.287 0.179 0.000 1.085 196 K CB 0.979 33.520 32.500 0.068 0.000 0.873 196 K HN -0.040 nan 8.250 nan 0.000 0.539 197 S N 0.710 116.644 115.700 0.389 0.000 2.573 197 S HA 0.255 4.724 4.470 -0.000 0.000 0.244 197 S C 0.838 175.777 174.600 0.565 0.000 0.984 197 S CA 0.124 58.676 58.200 0.587 0.000 1.001 197 S CB 0.412 63.922 63.200 0.516 0.000 0.788 197 S HN 0.542 nan 8.310 nan 0.000 0.456 198 G N 2.855 111.968 108.800 0.521 0.000 2.574 198 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.282 198 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.282 198 G C 0.777 175.870 174.900 0.321 0.000 1.257 198 G CA 0.719 46.109 45.100 0.484 0.000 0.956 198 G HN 0.383 nan 8.290 nan 0.000 0.560 199 K N 0.427 120.978 120.400 0.252 0.000 2.063 199 K HA 0.173 4.493 4.320 -0.000 0.000 0.208 199 K C 3.034 179.737 176.600 0.172 0.000 1.048 199 K CA 2.898 59.294 56.287 0.182 0.000 0.928 199 K CB -1.011 31.568 32.500 0.132 0.000 0.713 199 K HN 1.242 nan 8.250 nan 0.000 0.442 200 A N -0.145 122.772 122.820 0.162 0.000 1.940 200 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 200 A C 2.386 180.178 177.584 0.347 0.000 1.176 200 A CA 2.029 54.169 52.037 0.173 0.000 0.631 200 A CB -1.250 17.731 19.000 -0.031 0.000 0.814 200 A HN 0.492 nan 8.150 nan 0.000 0.446 201 G N -0.524 108.487 108.800 0.351 0.000 2.394 201 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.215 201 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.215 201 G C 1.533 176.579 174.900 0.243 0.000 1.165 201 G CA 0.787 46.117 45.100 0.382 0.000 0.784 201 G HN 0.417 nan 8.290 nan 0.000 0.535 202 L N 0.637 121.949 121.223 0.149 0.000 2.042 202 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 202 L C 2.706 179.649 176.870 0.122 0.000 1.076 202 L CA 0.906 55.784 54.840 0.064 0.000 0.749 202 L CB -0.423 41.651 42.059 0.025 0.000 0.893 202 L HN 0.131 nan 8.230 nan 0.000 0.432 203 N N -0.300 118.500 118.700 0.168 0.000 2.104 203 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 203 N C 1.845 177.481 175.510 0.211 0.000 1.024 203 N CA 1.177 54.333 53.050 0.177 0.000 0.853 203 N CB -0.500 38.101 38.487 0.189 0.000 1.008 203 N HN 0.109 nan 8.380 nan 0.000 0.424 204 V N 1.447 121.522 119.914 0.269 0.000 2.358 204 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 204 V C 2.217 178.473 176.094 0.269 0.000 1.047 204 V CA 1.114 63.599 62.300 0.309 0.000 1.035 204 V CB -0.360 31.696 31.823 0.388 0.000 0.658 204 V HN 0.229 nan 8.190 nan 0.000 0.452 205 I N -0.035 120.657 120.570 0.204 0.000 2.179 205 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 205 I C 2.612 178.804 176.117 0.125 0.000 1.088 205 I CA 1.951 63.342 61.300 0.150 0.000 1.357 205 I CB -0.368 37.669 38.000 0.062 0.000 1.051 205 I HN 0.403 nan 8.210 nan 0.000 0.409 206 E N 1.220 121.480 120.200 0.099 0.000 2.077 206 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 206 E C 1.906 178.573 176.600 0.111 0.000 0.989 206 E CA 1.393 57.842 56.400 0.081 0.000 0.800 206 E CB 0.066 29.827 29.700 0.102 0.000 0.746 206 E HN 0.419 nan 8.360 nan 0.000 0.452 207 N N 0.058 118.859 118.700 0.168 0.000 2.166 207 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 207 N C 1.570 177.257 175.510 0.295 0.000 1.019 207 N CA 0.998 54.184 53.050 0.227 0.000 0.856 207 N CB -0.467 38.187 38.487 0.278 0.000 0.993 207 N HN 0.247 nan 8.380 nan 0.000 0.426 208 F N 1.727 121.683 119.950 0.009 0.000 2.113 208 F HA 0.024 4.550 4.527 -0.000 0.000 0.297 208 F C 2.032 177.805 175.800 -0.045 0.000 1.103 208 F CA 0.938 58.787 58.000 -0.253 0.000 1.248 208 F CB -0.461 38.341 39.000 -0.331 0.000 0.999 208 F HN -0.098 nan 8.300 nan 0.000 0.475 209 L N 0.234 121.299 121.223 -0.262 0.000 2.079 209 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 209 L C 1.963 178.738 176.870 -0.158 0.000 1.081 209 L CA 1.623 56.251 54.840 -0.353 0.000 0.752 209 L CB -0.662 41.104 42.059 -0.488 0.000 0.896 209 L HN 0.125 nan 8.230 nan 0.000 0.433 210 K N -0.575 119.808 120.400 -0.028 0.000 2.374 210 K HA 0.059 4.379 4.320 -0.000 0.000 0.196 210 K C -0.159 176.448 176.600 0.012 0.000 1.023 210 K CA -0.160 56.152 56.287 0.041 0.000 1.103 210 K CB 0.388 32.940 32.500 0.088 0.000 0.848 210 K HN 0.120 nan 8.250 nan 0.000 0.528 211 Q N 1.390 121.185 119.800 -0.009 0.000 2.447 211 Q HA -0.211 4.129 4.340 -0.000 0.000 0.348 211 Q C -0.946 175.072 176.000 0.030 0.000 1.421 211 Q CA 1.231 57.077 55.803 0.071 0.000 0.978 211 Q CB -1.722 27.009 28.738 -0.012 0.000 1.191 211 Q HN 0.626 nan 8.270 nan 0.000 0.371 212 Q N -2.131 117.698 119.800 0.047 0.000 2.359 212 Q HA 0.720 5.060 4.340 -0.000 0.000 0.274 212 Q C -0.786 175.138 176.000 -0.128 0.000 1.074 212 Q CA -0.872 54.903 55.803 -0.047 0.000 0.810 212 Q CB 1.798 30.542 28.738 0.009 0.000 1.342 212 Q HN 0.025 nan 8.270 nan 0.000 0.427 213 S N 2.916 118.505 115.700 -0.185 0.000 2.252 213 S HA 0.332 4.801 4.470 -0.000 0.000 0.180 213 S C -2.271 172.294 174.600 -0.060 0.000 1.534 213 S CA -0.936 57.155 58.200 -0.180 0.000 1.141 213 S CB 0.315 63.353 63.200 -0.270 0.000 1.122 213 S HN 0.487 nan 8.310 nan 0.000 0.475 214 P HA 0.186 nan 4.420 nan 0.000 0.265 214 P C -2.588 174.726 177.300 0.024 0.000 1.193 214 P CA -1.018 62.091 63.100 0.016 0.000 0.765 214 P CB -0.393 31.332 31.700 0.042 0.000 0.823 215 P HA 0.121 nan 4.420 nan 0.000 0.269 215 P C 0.368 177.689 177.300 0.035 0.000 1.209 215 P CA -0.160 62.954 63.100 0.023 0.000 0.776 215 P CB 0.496 32.200 31.700 0.007 0.000 0.876 216 I N 0.558 121.167 120.570 0.066 0.000 2.779 216 I HA 0.360 4.530 4.170 -0.000 0.000 0.285 216 I C -2.264 173.841 176.117 -0.020 0.000 1.134 216 I CA -2.358 59.000 61.300 0.095 0.000 1.398 216 I CB -0.552 37.586 38.000 0.230 0.000 1.404 216 I HN 0.132 nan 8.210 nan 0.000 0.587 217 P HA -0.025 nan 4.420 nan 0.000 0.267 217 P C -0.570 176.454 177.300 -0.460 0.000 1.200 217 P CA -0.113 62.724 63.100 -0.437 0.000 0.772 217 P CB 0.267 31.474 31.700 -0.822 0.000 0.855 218 N N 2.703 121.223 118.700 -0.299 0.000 2.744 218 N HA -0.015 4.725 4.740 -0.000 0.000 0.290 218 N C -0.732 174.656 175.510 -0.203 0.000 1.206 218 N CA 0.026 52.971 53.050 -0.176 0.000 1.119 218 N CB -0.494 37.931 38.487 -0.103 0.000 1.449 218 N HN 0.326 nan 8.380 nan 0.000 0.514 219 Y N 0.714 120.944 120.300 -0.117 0.000 2.497 219 Y HA -0.050 4.500 4.550 -0.000 0.000 0.334 219 Y C 1.599 177.405 175.900 -0.157 0.000 1.199 219 Y CA -0.297 57.696 58.100 -0.178 0.000 1.425 219 Y CB 0.614 38.854 38.460 -0.365 0.000 1.291 219 Y HN 0.322 nan 8.280 nan 0.000 0.562 220 S N 1.256 116.979 115.700 0.038 0.000 2.603 220 S HA 0.350 4.820 4.470 -0.000 0.000 0.268 220 S C 1.157 175.738 174.600 -0.032 0.000 1.317 220 S CA -0.486 57.710 58.200 -0.006 0.000 1.012 220 S CB 1.405 64.600 63.200 -0.007 0.000 0.926 220 S HN 0.860 nan 8.310 nan 0.000 0.539 221 A N 1.069 123.871 122.820 -0.030 0.000 2.024 221 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 221 A C 2.132 179.691 177.584 -0.043 0.000 1.164 221 A CA 1.287 53.303 52.037 -0.035 0.000 0.643 221 A CB -0.705 18.285 19.000 -0.017 0.000 0.806 221 A HN 0.869 nan 8.150 nan 0.000 0.451 222 E N 0.170 120.348 120.200 -0.037 0.000 2.046 222 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 222 E C 1.836 178.404 176.600 -0.053 0.000 0.982 222 E CA 1.291 57.669 56.400 -0.037 0.000 0.800 222 E CB -0.473 29.211 29.700 -0.027 0.000 0.756 222 E HN 0.789 nan 8.360 nan 0.000 0.449 223 E N 1.218 121.384 120.200 -0.057 0.000 2.077 223 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 223 E C 2.118 178.600 176.600 -0.196 0.000 0.989 223 E CA 0.998 57.349 56.400 -0.082 0.000 0.800 223 E CB 0.001 29.704 29.700 0.004 0.000 0.746 223 E HN 0.146 nan 8.360 nan 0.000 0.452 224 K N 0.562 120.799 120.400 -0.271 0.000 2.032 224 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 224 K C 2.211 178.771 176.600 -0.066 0.000 1.048 224 K CA 1.462 57.525 56.287 -0.374 0.000 0.927 224 K CB -0.080 32.222 32.500 -0.330 0.000 0.712 224 K HN -0.043 nan 8.250 nan 0.000 0.441 225 E N 1.332 121.504 120.200 -0.047 0.000 2.153 225 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 225 E C 1.764 178.349 176.600 -0.024 0.000 0.988 225 E CA 0.865 57.257 56.400 -0.013 0.000 0.811 225 E CB -0.111 29.578 29.700 -0.019 0.000 0.746 225 E HN 0.184 nan 8.360 nan 0.000 0.466 226 L N -0.365 120.831 121.223 -0.046 0.000 2.068 226 L HA 0.072 4.412 4.340 -0.000 0.000 0.204 226 L C 2.025 178.863 176.870 -0.053 0.000 1.076 226 L CA 1.484 56.293 54.840 -0.052 0.000 0.753 226 L CB -0.240 41.784 42.059 -0.058 0.000 0.910 226 L HN 0.225 nan 8.230 nan 0.000 0.439 227 L N -0.168 121.023 121.223 -0.053 0.000 2.418 227 L HA 0.027 4.367 4.340 -0.000 0.000 0.218 227 L C 1.468 178.353 176.870 0.025 0.000 1.125 227 L CA -0.010 54.811 54.840 -0.032 0.000 0.835 227 L CB -0.557 41.447 42.059 -0.091 0.000 0.953 227 L HN 0.394 nan 8.230 nan 0.000 0.454 228 M N -0.794 118.855 119.600 0.083 0.000 2.240 228 M HA 0.095 4.575 4.480 -0.000 0.000 0.317 228 M C 0.163 176.387 176.300 -0.127 0.000 1.087 228 M CA 0.334 55.635 55.300 0.001 0.000 1.176 228 M CB 0.175 32.820 32.600 0.076 0.000 1.439 228 M HN -0.094 nan 8.290 nan 0.000 0.452 229 N N 1.880 120.437 118.700 -0.238 0.000 2.422 229 N HA 0.042 4.782 4.740 -0.000 0.000 0.264 229 N C -0.500 174.752 175.510 -0.429 0.000 1.063 229 N CA -0.189 52.601 53.050 -0.433 0.000 0.959 229 N CB 0.790 38.850 38.487 -0.711 0.000 1.087 229 N HN 0.791 nan 8.380 nan 0.000 0.483 230 D N 2.870 123.088 120.400 -0.303 0.000 2.349 230 D HA -0.060 4.579 4.640 -0.000 0.000 0.214 230 D C -0.084 176.213 176.300 -0.004 0.000 1.063 230 D CA 0.020 53.957 54.000 -0.105 0.000 0.847 230 D CB -0.437 40.327 40.800 -0.060 0.000 0.933 230 D HN 0.588 nan 8.370 nan 0.000 0.513 231 Y N 0.309 120.596 120.300 -0.021 0.000 4.272 231 Y HA -0.281 4.269 4.550 -0.000 0.000 0.232 231 Y C 0.353 176.221 175.900 -0.053 0.000 1.149 231 Y CA 0.446 58.536 58.100 -0.016 0.000 1.961 231 Y CB -2.470 35.987 38.460 -0.005 0.000 1.611 231 Y HN 0.164 nan 8.280 nan 0.000 0.682 232 S N 0.032 115.711 115.700 -0.035 0.000 2.565 232 S HA 0.382 4.851 4.470 -0.000 0.000 0.276 232 S C 0.686 175.214 174.600 -0.120 0.000 1.326 232 S CA -0.118 58.033 58.200 -0.082 0.000 1.045 232 S CB 1.436 64.586 63.200 -0.084 0.000 0.918 232 S HN 0.576 nan 8.310 nan 0.000 0.505 233 N N 1.069 119.624 118.700 -0.243 0.000 2.740 233 N HA -0.272 4.468 4.740 -0.000 0.000 0.248 233 N C -0.435 174.986 175.510 -0.149 0.000 1.062 233 N CA 1.158 54.021 53.050 -0.312 0.000 0.704 233 N CB -2.382 36.041 38.487 -0.106 0.000 0.968 233 N HN 0.935 nan 8.380 nan 0.000 0.547 234 Y N -4.152 116.183 120.300 0.059 0.000 4.916 234 Y HA -0.300 4.250 4.550 -0.000 0.000 0.247 234 Y C 1.759 177.807 175.900 0.246 0.000 0.962 234 Y CA 1.321 59.459 58.100 0.064 0.000 1.933 234 Y CB -1.637 36.772 38.460 -0.086 0.000 1.451 234 Y HN 0.795 nan 8.280 nan 0.000 0.539 235 G N -0.599 108.366 108.800 0.274 0.000 2.184 235 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.206 235 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.206 235 G C -0.171 174.771 174.900 0.070 0.000 0.995 235 G CA -0.146 45.048 45.100 0.156 0.000 0.651 235 G HN 0.345 nan 8.290 nan 0.000 0.511 236 L N 2.033 123.336 121.223 0.134 0.000 2.334 236 L HA 0.632 4.972 4.340 -0.000 0.000 0.275 236 L C 1.457 178.361 176.870 0.057 0.000 1.036 236 L CA -0.430 54.478 54.840 0.114 0.000 0.807 236 L CB 1.551 43.709 42.059 0.164 0.000 1.231 236 L HN 0.344 nan 8.230 nan 0.000 0.438 237 T N -0.795 113.809 114.554 0.084 0.000 2.766 237 T HA 0.247 4.597 4.350 -0.000 0.000 0.295 237 T C 0.363 175.023 174.700 -0.067 0.000 1.024 237 T CA -0.876 61.217 62.100 -0.012 0.000 1.018 237 T CB 0.590 69.455 68.868 -0.004 0.000 1.002 237 T HN 0.330 nan 8.240 nan 0.000 0.532 238 R N 1.888 122.231 120.500 -0.262 0.000 2.309 238 R HA 0.216 4.555 4.340 -0.000 0.000 0.331 238 R C 0.376 176.570 176.300 -0.177 0.000 1.116 238 R CA -0.207 55.537 56.100 -0.593 0.000 0.970 238 R CB -0.313 29.242 30.300 -1.241 0.000 1.024 238 R HN 0.670 nan 8.270 nan 0.000 0.472 239 R N 3.784 124.350 120.500 0.109 0.000 2.351 239 R HA 0.122 4.461 4.340 -0.000 0.000 0.318 239 R C -0.192 176.334 176.300 0.375 0.000 1.055 239 R CA -0.074 56.190 56.100 0.273 0.000 0.968 239 R CB 0.383 30.893 30.300 0.350 0.000 0.974 239 R HN 0.365 nan 8.270 nan 0.000 0.439 240 I N 7.486 128.215 120.570 0.265 0.000 2.330 240 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 240 I C 0.164 176.400 176.117 0.199 0.000 1.001 240 I CA -0.653 60.825 61.300 0.298 0.000 1.193 240 I CB 1.040 39.123 38.000 0.137 0.000 1.345 240 I HN 0.592 nan 8.210 nan 0.000 0.461 241 I N 5.041 125.769 120.570 0.263 0.000 2.359 241 I HA 0.540 4.710 4.170 -0.000 0.000 0.294 241 I C 0.462 176.675 176.117 0.160 0.000 0.987 241 I CA -0.588 60.813 61.300 0.168 0.000 1.225 241 I CB 1.888 39.986 38.000 0.163 0.000 1.366 241 I HN 0.627 nan 8.210 nan 0.000 0.466 242 A N 5.682 128.487 122.820 -0.025 0.000 2.276 242 A HA 0.576 4.896 4.320 -0.000 0.000 0.316 242 A C -0.753 176.796 177.584 -0.058 0.000 1.229 242 A CA -0.408 51.515 52.037 -0.191 0.000 0.851 242 A CB 1.106 19.646 19.000 -0.766 0.000 1.165 242 A HN 0.847 nan 8.150 nan 0.000 0.513 243 C N 4.176 123.503 119.300 0.045 0.000 2.507 243 C HA 0.895 5.355 4.460 -0.000 0.000 0.319 243 C C -0.700 174.380 174.990 0.149 0.000 1.208 243 C CA -0.570 58.490 59.018 0.071 0.000 1.619 243 C CB 0.128 27.910 27.740 0.069 0.000 2.230 243 C HN 1.029 nan 8.230 nan 0.000 0.492 244 L N 3.184 124.439 121.223 0.054 0.000 2.424 244 L HA 0.753 5.093 4.340 -0.000 0.000 0.258 244 L C -1.030 175.844 176.870 0.007 0.000 0.995 244 L CA -0.436 54.410 54.840 0.010 0.000 0.821 244 L CB 1.750 43.772 42.059 -0.062 0.000 1.383 244 L HN 0.395 nan 8.230 nan 0.000 0.410 245 D N 1.376 121.770 120.400 -0.011 0.000 2.253 245 D HA 0.518 5.158 4.640 -0.000 0.000 0.249 245 D C -0.708 175.623 176.300 0.053 0.000 1.049 245 D CA -0.149 53.870 54.000 0.031 0.000 0.929 245 D CB 2.835 43.646 40.800 0.018 0.000 1.176 245 D HN 0.381 nan 8.370 nan 0.000 0.437 246 V N 2.923 122.887 119.914 0.084 0.000 2.340 246 V HA 0.309 4.429 4.120 -0.000 0.000 0.277 246 V C 0.116 176.243 176.094 0.054 0.000 1.017 246 V CA -0.646 61.705 62.300 0.085 0.000 0.820 246 V CB 0.844 32.741 31.823 0.123 0.000 1.028 246 V HN 0.341 nan 8.190 nan 0.000 0.436 247 R N 2.010 122.535 120.500 0.041 0.000 2.828 247 R HA 0.813 5.153 4.340 -0.000 0.000 0.264 247 R C -0.526 175.791 176.300 0.028 0.000 1.022 247 R CA -0.808 55.312 56.100 0.034 0.000 1.021 247 R CB 1.510 31.830 30.300 0.033 0.000 1.163 247 R HN 0.517 nan 8.270 nan 0.000 0.494 248 T N 1.639 116.207 114.554 0.024 0.000 2.771 248 T HA 0.211 4.561 4.350 -0.000 0.000 0.281 248 T C -0.118 174.593 174.700 0.020 0.000 0.982 248 T CA -1.031 61.081 62.100 0.020 0.000 0.978 248 T CB 0.826 69.704 68.868 0.017 0.000 0.930 248 T HN 0.634 nan 8.240 nan 0.000 0.447 249 N N 1.431 120.142 118.700 0.019 0.000 2.495 249 N HA 0.201 4.940 4.740 -0.000 0.000 0.294 249 N C 0.695 176.214 175.510 0.015 0.000 1.276 249 N CA -0.721 52.340 53.050 0.018 0.000 0.973 249 N CB 0.146 38.645 38.487 0.020 0.000 1.143 249 N HN 0.314 nan 8.380 nan 0.000 0.589 250 D N -0.910 119.499 120.400 0.014 0.000 2.123 250 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 250 D C 1.129 177.435 176.300 0.010 0.000 0.992 250 D CA 1.447 55.455 54.000 0.012 0.000 0.833 250 D CB -0.030 40.777 40.800 0.011 0.000 0.954 250 D HN 0.604 nan 8.370 nan 0.000 0.455 251 Q N -0.945 118.860 119.800 0.010 0.000 2.466 251 Q HA 0.191 4.531 4.340 -0.000 0.000 0.210 251 Q C 1.207 177.212 176.000 0.007 0.000 0.961 251 Q CA 0.561 56.369 55.803 0.008 0.000 0.953 251 Q CB 0.493 29.235 28.738 0.008 0.000 1.011 251 Q HN 0.351 nan 8.270 nan 0.000 0.516 252 G N 1.563 110.368 108.800 0.008 0.000 2.162 252 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 252 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 252 G C -0.332 174.572 174.900 0.006 0.000 0.976 252 G CA 0.259 45.363 45.100 0.007 0.000 0.655 252 G HN 0.329 nan 8.290 nan 0.000 0.533 253 D N -0.319 120.086 120.400 0.008 0.000 2.354 253 D HA 0.539 5.179 4.640 -0.000 0.000 0.247 253 D C 0.528 176.834 176.300 0.011 0.000 1.138 253 D CA -0.353 53.652 54.000 0.008 0.000 0.958 253 D CB 0.949 41.755 40.800 0.009 0.000 1.144 253 D HN 0.051 nan 8.370 nan 0.000 0.458 254 L N 1.159 122.388 121.223 0.010 0.000 2.265 254 L HA 0.314 4.654 4.340 -0.000 0.000 0.288 254 L C 0.192 177.075 176.870 0.022 0.000 1.058 254 L CA -0.399 54.450 54.840 0.015 0.000 0.809 254 L CB 1.075 43.140 42.059 0.009 0.000 1.179 254 L HN 0.203 nan 8.230 nan 0.000 0.429 255 V N 1.734 121.665 119.914 0.028 0.000 3.155 255 V HA 0.642 4.762 4.120 -0.000 0.000 0.313 255 V C 0.185 176.299 176.094 0.033 0.000 1.162 255 V CA -0.601 61.720 62.300 0.034 0.000 1.048 255 V CB 2.015 33.861 31.823 0.038 0.000 1.092 255 V HN 0.333 nan 8.190 nan 0.000 0.447 256 V N -0.441 119.492 119.914 0.033 0.000 3.212 256 V HA 0.191 4.310 4.120 -0.000 0.000 0.244 256 V C 1.191 177.307 176.094 0.037 0.000 1.151 256 V CA 1.589 63.881 62.300 -0.013 0.000 1.119 256 V CB 0.638 32.383 31.823 -0.130 0.000 0.838 256 V HN 1.074 nan 8.190 nan 0.000 0.470 260 G N 1.125 109.949 108.800 0.040 0.000 2.833 260 G HA2 0.105 4.065 3.960 -0.000 0.000 0.214 260 G HA3 0.105 4.065 3.960 -0.000 0.000 0.214 260 G C -0.011 174.906 174.900 0.029 0.000 1.075 260 G CA 0.329 45.447 45.100 0.030 0.000 0.799 260 G HN 0.395 nan 8.290 nan 0.000 0.541 277 G N 1.049 109.850 108.800 0.002 0.000 2.440 277 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 277 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 277 G C 1.311 176.217 174.900 0.009 0.000 1.154 277 G CA 1.234 46.336 45.100 0.004 0.000 0.767 277 G HN 0.443 nan 8.290 nan 0.000 0.552 278 K N 0.731 121.139 120.400 0.014 0.000 2.001 278 K HA -0.124 4.196 4.320 -0.000 0.000 0.214 278 K C 0.080 176.687 176.600 0.012 0.000 1.050 278 K CA 1.795 58.092 56.287 0.017 0.000 0.934 278 K CB -0.890 31.627 32.500 0.028 0.000 0.718 278 K HN 0.326 nan 8.250 nan 0.000 0.443 279 P HA -0.098 nan 4.420 nan 0.000 0.218 279 P C 1.600 178.967 177.300 0.113 0.000 1.149 279 P CA 1.149 64.293 63.100 0.073 0.000 0.817 279 P CB -0.007 31.766 31.700 0.122 0.000 0.785 280 V N 0.752 120.709 119.914 0.071 0.000 2.307 280 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 280 V C 2.779 178.888 176.094 0.024 0.000 1.045 280 V CA 1.853 64.189 62.300 0.061 0.000 1.024 280 V CB -1.424 30.407 31.823 0.012 0.000 0.651 280 V HN 0.126 nan 8.190 nan 0.000 0.449 281 Q N -0.724 119.076 119.800 -0.002 0.000 2.224 281 Q HA -0.149 4.190 4.340 -0.000 0.000 0.203 281 Q C 2.166 178.125 176.000 -0.068 0.000 0.970 281 Q CA 1.202 56.994 55.803 -0.019 0.000 0.865 281 Q CB -0.171 28.562 28.738 -0.008 0.000 0.922 281 Q HN 0.513 nan 8.270 nan 0.000 0.445 282 L N 0.214 121.361 121.223 -0.128 0.000 2.179 282 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 282 L C 2.072 178.625 176.870 -0.530 0.000 1.096 282 L CA 1.506 56.146 54.840 -0.332 0.000 0.779 282 L CB -0.518 41.326 42.059 -0.358 0.000 0.922 282 L HN 0.065 nan 8.230 nan 0.000 0.443 283 A N -1.006 121.657 122.820 -0.263 0.000 1.898 283 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 283 A C 2.178 179.763 177.584 0.002 0.000 1.181 283 A CA 1.663 53.620 52.037 -0.133 0.000 0.620 283 A CB -0.484 18.574 19.000 0.095 0.000 0.819 283 A HN 0.622 nan 8.150 nan 0.000 0.442 284 Q N -0.638 119.167 119.800 0.009 0.000 2.119 284 Q HA -0.165 4.174 4.340 -0.000 0.000 0.201 284 Q C 2.179 178.241 176.000 0.104 0.000 0.972 284 Q CA 1.611 57.462 55.803 0.080 0.000 0.847 284 Q CB -0.174 28.591 28.738 0.044 0.000 0.903 284 Q HN 0.721 nan 8.270 nan 0.000 0.433 285 K N 0.460 120.868 120.400 0.014 0.000 2.026 285 K HA -0.166 4.153 4.320 -0.000 0.000 0.208 285 K C 1.860 178.533 176.600 0.122 0.000 1.048 285 K CA 1.210 57.514 56.287 0.029 0.000 0.929 285 K CB -0.161 32.323 32.500 -0.028 0.000 0.713 285 K HN 0.286 nan 8.250 nan 0.000 0.439 286 Y N -0.799 119.498 120.300 -0.005 0.000 2.114 286 Y HA -0.344 4.205 4.550 -0.000 0.000 0.282 286 Y C 2.507 178.376 175.900 -0.051 0.000 1.165 286 Y CA 1.149 59.209 58.100 -0.067 0.000 1.148 286 Y CB -0.347 38.067 38.460 -0.077 0.000 0.972 286 Y HN 0.247 nan 8.280 nan 0.000 0.504 287 Y N 1.469 121.820 120.300 0.085 0.000 2.114 287 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 287 Y C 2.304 178.208 175.900 0.007 0.000 1.143 287 Y CA 1.774 59.888 58.100 0.023 0.000 1.135 287 Y CB -0.762 37.708 38.460 0.016 0.000 0.980 287 Y HN 0.146 nan 8.280 nan 0.000 0.499 288 Q N -0.252 119.455 119.800 -0.154 0.000 2.297 288 Q HA -0.213 4.127 4.340 -0.000 0.000 0.208 288 Q C 1.620 177.507 176.000 -0.189 0.000 0.981 288 Q CA 1.599 57.265 55.803 -0.229 0.000 0.876 288 Q CB -0.142 28.570 28.738 -0.043 0.000 0.921 288 Q HN 0.664 nan 8.270 nan 0.000 0.446 289 Q N -1.201 118.524 119.800 -0.126 0.000 2.246 289 Q HA 0.146 4.486 4.340 -0.000 0.000 0.202 289 Q C 0.492 176.379 176.000 -0.187 0.000 0.883 289 Q CA 0.358 56.089 55.803 -0.121 0.000 0.952 289 Q CB 1.065 29.769 28.738 -0.056 0.000 1.078 289 Q HN 0.498 nan 8.270 nan 0.000 0.493 290 G N 0.622 109.284 108.800 -0.231 0.000 2.159 290 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 290 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 290 G C 0.235 174.994 174.900 -0.234 0.000 0.986 290 G CA -0.167 44.788 45.100 -0.242 0.000 0.651 290 G HN 0.479 nan 8.290 nan 0.000 0.523 291 A N 0.403 123.106 122.820 -0.194 0.000 2.520 291 A HA 0.496 4.816 4.320 -0.000 0.000 0.245 291 A C 1.177 178.731 177.584 -0.049 0.000 1.072 291 A CA 0.884 52.827 52.037 -0.157 0.000 0.761 291 A CB 0.270 19.202 19.000 -0.113 0.000 1.004 291 A HN 0.217 nan 8.150 nan 0.000 0.499 292 D N 1.097 121.476 120.400 -0.035 0.000 2.323 292 D HA 0.060 4.700 4.640 -0.000 0.000 0.209 292 D C 0.323 176.774 176.300 0.252 0.000 0.973 292 D CA 1.173 55.215 54.000 0.070 0.000 0.874 292 D CB 0.456 41.315 40.800 0.097 0.000 0.930 292 D HN 0.774 nan 8.370 nan 0.000 0.521 293 E N -0.701 119.581 120.200 0.137 0.000 2.388 293 E HA 0.332 4.682 4.350 -0.000 0.000 0.280 293 E C -1.674 174.955 176.600 0.049 0.000 1.019 293 E CA -0.510 55.949 56.400 0.098 0.000 0.806 293 E CB 2.981 32.752 29.700 0.118 0.000 1.246 293 E HN -0.304 nan 8.360 nan 0.000 0.443 294 V N 2.029 121.958 119.914 0.025 0.000 2.443 294 V HA 0.399 4.519 4.120 -0.000 0.000 0.293 294 V C -0.535 175.484 176.094 -0.124 0.000 1.021 294 V CA -0.578 61.684 62.300 -0.063 0.000 0.848 294 V CB 1.843 33.609 31.823 -0.094 0.000 0.998 294 V HN 0.665 nan 8.190 nan 0.000 0.424 295 T N 5.722 120.193 114.554 -0.139 0.000 2.795 295 T HA 0.654 5.004 4.350 -0.000 0.000 0.282 295 T C -0.665 173.928 174.700 -0.178 0.000 0.980 295 T CA -0.044 62.021 62.100 -0.060 0.000 1.012 295 T CB 0.558 69.438 68.868 0.020 0.000 0.936 295 T HN 0.295 nan 8.240 nan 0.000 0.457 296 F N 2.659 122.640 119.950 0.052 0.000 2.411 296 F HA 0.459 4.986 4.527 -0.000 0.000 0.352 296 F C 0.163 175.971 175.800 0.014 0.000 1.123 296 F CA -1.095 56.927 58.000 0.038 0.000 1.044 296 F CB 0.961 39.980 39.000 0.031 0.000 1.135 296 F HN 0.233 nan 8.300 nan 0.000 0.461 297 L N 3.932 125.256 121.223 0.167 0.000 2.288 297 L HA 0.259 4.599 4.340 -0.000 0.000 0.283 297 L C 0.316 177.240 176.870 0.090 0.000 1.072 297 L CA -0.262 54.633 54.840 0.092 0.000 0.862 297 L CB 0.372 42.465 42.059 0.056 0.000 1.245 297 L HN 0.652 nan 8.230 nan 0.000 0.432 298 N N 5.541 124.283 118.700 0.069 0.000 2.400 298 N HA 0.131 4.871 4.740 -0.000 0.000 0.267 298 N C 0.210 175.740 175.510 0.033 0.000 1.208 298 N CA -0.231 52.850 53.050 0.053 0.000 0.951 298 N CB 0.501 39.004 38.487 0.028 0.000 1.227 298 N HN 0.628 nan 8.380 nan 0.000 0.488 299 I N 0.970 121.563 120.570 0.039 0.000 3.061 299 I HA 0.228 4.398 4.170 -0.000 0.000 0.341 299 I C 0.177 176.311 176.117 0.029 0.000 1.457 299 I CA -0.788 60.529 61.300 0.029 0.000 0.921 299 I CB 0.169 38.186 38.000 0.029 0.000 1.845 299 I HN 0.193 nan 8.210 nan 0.000 0.535 305 C N 2.457 121.757 119.300 -0.000 0.000 2.307 305 C HA 0.552 5.011 4.460 -0.000 0.000 0.340 305 C C -2.068 172.917 174.990 -0.008 0.000 1.275 305 C CA -1.404 57.610 59.018 -0.006 0.000 1.811 305 C CB 0.065 27.800 27.740 -0.008 0.000 2.372 305 C HN 0.014 nan 8.230 nan 0.000 0.531 306 P HA 0.072 nan 4.420 nan 0.000 0.269 306 P C 0.764 178.049 177.300 -0.026 0.000 1.209 306 P CA -0.232 62.859 63.100 -0.016 0.000 0.776 306 P CB 0.463 32.152 31.700 -0.017 0.000 0.876 307 L N 3.644 124.851 121.223 -0.026 0.000 1.971 307 L HA -0.248 4.091 4.340 -0.000 0.000 0.215 307 L C 1.976 178.799 176.870 -0.078 0.000 1.072 307 L CA 2.064 56.878 54.840 -0.044 0.000 0.758 307 L CB -1.071 40.967 42.059 -0.035 0.000 0.889 307 L HN 0.338 nan 8.230 nan 0.000 0.433 308 K N -0.723 119.637 120.400 -0.066 0.000 2.189 308 K HA -0.217 4.103 4.320 -0.000 0.000 0.207 308 K C 0.993 177.543 176.600 -0.084 0.000 1.046 308 K CA 1.703 57.945 56.287 -0.075 0.000 0.928 308 K CB -0.430 32.041 32.500 -0.048 0.000 0.720 308 K HN 0.465 nan 8.250 nan 0.000 0.458 309 D N 0.426 120.785 120.400 -0.068 0.000 2.368 309 D HA 0.013 4.653 4.640 -0.000 0.000 0.218 309 D C -0.337 175.921 176.300 -0.070 0.000 1.112 309 D CA 0.237 54.200 54.000 -0.063 0.000 0.834 309 D CB 0.342 41.118 40.800 -0.041 0.000 0.953 309 D HN 0.033 nan 8.370 nan 0.000 0.505 310 T N 3.662 118.159 114.554 -0.094 0.000 2.758 310 T HA 0.023 4.373 4.350 -0.000 0.000 0.281 310 T C -1.233 173.406 174.700 -0.102 0.000 0.963 310 T CA -0.829 61.218 62.100 -0.089 0.000 1.201 310 T CB 1.359 70.154 68.868 -0.122 0.000 0.906 310 T HN 0.094 nan 8.240 nan 0.000 0.528 311 P HA -0.117 nan 4.420 nan 0.000 0.223 311 P C 1.380 178.632 177.300 -0.080 0.000 1.144 311 P CA 0.584 63.645 63.100 -0.065 0.000 0.783 311 P CB 0.118 31.796 31.700 -0.037 0.000 0.771 312 M N -0.373 119.187 119.600 -0.067 0.000 2.296 312 M HA -0.024 4.456 4.480 -0.000 0.000 0.265 312 M C 1.900 178.113 176.300 -0.145 0.000 1.064 312 M CA 1.488 56.751 55.300 -0.061 0.000 1.109 312 M CB -1.254 31.393 32.600 0.079 0.000 1.396 312 M HN -0.196 nan 8.290 nan 0.000 0.430 313 L N -0.730 120.358 121.223 -0.225 0.000 2.217 313 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 313 L C 2.227 178.978 176.870 -0.197 0.000 1.107 313 L CA 0.924 55.589 54.840 -0.292 0.000 0.783 313 L CB -0.682 41.154 42.059 -0.371 0.000 0.919 313 L HN 0.256 nan 8.230 nan 0.000 0.442 314 E N 0.108 120.215 120.200 -0.156 0.000 2.158 314 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 314 E C 2.093 178.615 176.600 -0.130 0.000 0.982 314 E CA 0.731 57.059 56.400 -0.120 0.000 0.823 314 E CB 0.028 29.675 29.700 -0.088 0.000 0.766 314 E HN 0.163 nan 8.360 nan 0.000 0.468 315 V N 0.723 120.540 119.914 -0.161 0.000 2.343 315 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 315 V C 2.399 178.318 176.094 -0.291 0.000 1.051 315 V CA 1.541 63.721 62.300 -0.201 0.000 1.036 315 V CB -0.462 31.215 31.823 -0.244 0.000 0.654 315 V HN 0.290 nan 8.190 nan 0.000 0.451 316 L N -0.278 120.742 121.223 -0.339 0.000 2.027 316 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 316 L C 2.603 179.370 176.870 -0.172 0.000 1.074 316 L CA 1.909 56.563 54.840 -0.311 0.000 0.745 316 L CB -0.569 41.354 42.059 -0.228 0.000 0.898 316 L HN 0.290 nan 8.230 nan 0.000 0.433 317 K N -0.559 119.756 120.400 -0.141 0.000 2.057 317 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 317 K C 2.256 178.800 176.600 -0.093 0.000 1.049 317 K CA 1.219 57.446 56.287 -0.100 0.000 0.931 317 K CB 0.134 32.582 32.500 -0.088 0.000 0.714 317 K HN 0.221 nan 8.250 nan 0.000 0.440 318 Q N -0.117 119.626 119.800 -0.095 0.000 2.083 318 Q HA -0.048 4.292 4.340 -0.000 0.000 0.198 318 Q C 2.119 178.067 176.000 -0.086 0.000 0.969 318 Q CA 1.414 57.172 55.803 -0.076 0.000 0.838 318 Q CB -0.294 28.408 28.738 -0.060 0.000 0.900 318 Q HN 0.397 nan 8.270 nan 0.000 0.436 319 A N 1.295 124.064 122.820 -0.086 0.000 1.902 319 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 319 A C 2.277 179.768 177.584 -0.155 0.000 1.181 319 A CA 1.883 53.886 52.037 -0.058 0.000 0.623 319 A CB -0.716 18.321 19.000 0.061 0.000 0.818 319 A HN 0.348 nan 8.150 nan 0.000 0.443 320 A N -0.481 122.242 122.820 -0.163 0.000 2.178 320 A HA -0.122 4.197 4.320 -0.000 0.000 0.218 320 A C 1.969 179.359 177.584 -0.322 0.000 1.157 320 A CA 1.580 53.479 52.037 -0.231 0.000 0.689 320 A CB -0.413 18.506 19.000 -0.134 0.000 0.787 320 A HN 0.579 nan 8.150 nan 0.000 0.465 321 K N -0.942 119.310 120.400 -0.246 0.000 2.155 321 K HA -0.082 4.238 4.320 -0.000 0.000 0.203 321 K C 1.733 178.118 176.600 -0.358 0.000 1.052 321 K CA 1.685 57.850 56.287 -0.202 0.000 0.948 321 K CB -0.031 32.414 32.500 -0.091 0.000 0.728 321 K HN 0.727 nan 8.250 nan 0.000 0.448 322 T N -3.622 110.628 114.554 -0.508 0.000 2.969 322 T HA 0.139 4.489 4.350 -0.000 0.000 0.258 322 T C 0.438 174.564 174.700 -0.957 0.000 0.962 322 T CA -0.414 61.338 62.100 -0.580 0.000 0.903 322 T CB 0.318 69.074 68.868 -0.187 0.000 1.177 322 T HN -0.215 nan 8.240 nan 0.000 0.511 323 V N 3.213 122.560 119.914 -0.945 0.000 2.356 323 V HA 0.388 4.508 4.120 -0.000 0.000 0.258 323 V C -0.484 174.944 176.094 -1.109 0.000 1.065 323 V CA -0.466 61.178 62.300 -1.093 0.000 0.935 323 V CB -0.793 30.747 31.823 -0.471 0.000 1.061 323 V HN 0.467 nan 8.190 nan 0.000 0.484 324 F N 5.031 124.439 119.950 -0.904 0.000 2.894 324 F HA 0.419 4.945 4.527 -0.000 0.000 0.310 324 F C 0.449 176.192 175.800 -0.095 0.000 1.204 324 F CA -0.477 57.334 58.000 -0.315 0.000 1.290 324 F CB 0.468 39.400 39.000 -0.114 0.000 1.317 324 F HN 0.414 nan 8.300 nan 0.000 0.545 325 V N -2.874 117.007 119.914 -0.055 0.000 3.130 325 V HA 0.691 4.811 4.120 -0.000 0.000 0.310 325 V C -2.932 173.123 176.094 -0.066 0.000 1.158 325 V CA -3.374 58.965 62.300 0.066 0.000 1.029 325 V CB 1.971 33.924 31.823 0.217 0.000 1.057 325 V HN -0.165 nan 8.190 nan 0.000 0.436 326 P HA 0.343 nan 4.420 nan 0.000 0.265 326 P C -0.904 176.375 177.300 -0.035 0.000 1.193 326 P CA 0.325 63.303 63.100 -0.204 0.000 0.765 326 P CB 0.249 31.703 31.700 -0.410 0.000 0.823 327 L N 2.973 124.213 121.223 0.028 0.000 2.341 327 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 327 L C 0.311 177.282 176.870 0.169 0.000 1.005 327 L CA -0.334 54.596 54.840 0.150 0.000 0.818 327 L CB 1.908 44.094 42.059 0.212 0.000 1.259 327 L HN 0.244 nan 8.230 nan 0.000 0.418 328 T N 2.073 116.751 114.554 0.208 0.000 2.856 328 T HA 0.536 4.886 4.350 -0.000 0.000 0.283 328 T C -0.932 173.909 174.700 0.236 0.000 1.008 328 T CA -0.456 61.749 62.100 0.175 0.000 0.997 328 T CB 2.619 71.557 68.868 0.117 0.000 0.992 328 T HN 0.291 nan 8.240 nan 0.000 0.454 329 V N 1.948 121.936 119.914 0.124 0.000 2.588 329 V HA 0.905 5.025 4.120 -0.000 0.000 0.304 329 V C -0.338 175.719 176.094 -0.062 0.000 1.042 329 V CA -0.193 62.142 62.300 0.058 0.000 0.877 329 V CB 1.625 33.415 31.823 -0.056 0.000 0.996 329 V HN 1.043 nan 8.190 nan 0.000 0.425 330 G N 3.301 112.079 108.800 -0.037 0.000 2.617 330 G HA2 0.740 4.700 3.960 -0.000 0.000 0.306 330 G HA3 0.740 4.700 3.960 -0.000 0.000 0.306 330 G C -0.137 174.713 174.900 -0.083 0.000 1.360 330 G CA -0.329 44.729 45.100 -0.071 0.000 0.983 330 G HN 1.849 nan 8.290 nan 0.000 0.496 331 G N -0.647 108.085 108.800 -0.113 0.000 3.367 331 G HA2 0.486 4.446 3.960 -0.000 0.000 0.686 331 G HA3 0.486 4.446 3.960 -0.000 0.000 0.686 331 G C 0.865 175.690 174.900 -0.124 0.000 1.146 331 G CA 0.706 45.754 45.100 -0.086 0.000 0.913 331 G HN 2.556 nan 8.290 nan 0.000 0.554 332 G N 0.269 109.018 108.800 -0.084 0.000 2.159 332 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.256 332 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.256 332 G C 0.495 175.333 174.900 -0.103 0.000 0.977 332 G CA 0.488 45.552 45.100 -0.060 0.000 0.652 332 G HN 1.620 nan 8.290 nan 0.000 0.531 333 I N 1.989 122.451 120.570 -0.179 0.000 2.241 333 I HA 0.377 4.547 4.170 -0.000 0.000 0.294 333 I C 0.737 176.798 176.117 -0.092 0.000 1.145 333 I CA 0.307 61.489 61.300 -0.197 0.000 1.261 333 I CB -0.586 37.241 38.000 -0.290 0.000 1.475 333 I HN 0.557 nan 8.210 nan 0.000 0.533 334 K N 2.347 122.722 120.400 -0.041 0.000 2.556 334 K HA 0.450 4.770 4.320 -0.000 0.000 0.289 334 K C -1.377 175.232 176.600 0.014 0.000 1.040 334 K CA -0.990 55.295 56.287 -0.004 0.000 0.894 334 K CB 1.196 33.704 32.500 0.013 0.000 1.547 334 K HN -0.129 nan 8.250 nan 0.000 0.417 335 D N 1.706 122.122 120.400 0.027 0.000 2.401 335 D HA 0.272 4.911 4.640 -0.000 0.000 0.254 335 D C 0.002 176.319 176.300 0.029 0.000 1.192 335 D CA 0.220 54.237 54.000 0.029 0.000 0.885 335 D CB 0.241 41.061 40.800 0.032 0.000 1.147 335 D HN 0.502 nan 8.370 nan 0.000 0.478 336 I N -1.686 118.901 120.570 0.027 0.000 3.002 336 I HA 0.616 4.786 4.170 -0.000 0.000 0.310 336 I C -0.847 175.283 176.117 0.022 0.000 1.087 336 I CA -1.240 60.076 61.300 0.027 0.000 1.017 336 I CB 2.091 40.109 38.000 0.030 0.000 1.226 336 I HN -0.103 nan 8.210 nan 0.000 0.443 337 V N 2.738 122.664 119.914 0.020 0.000 2.378 337 V HA 0.306 4.426 4.120 -0.000 0.000 0.288 337 V C -0.203 175.900 176.094 0.014 0.000 1.016 337 V CA -0.336 61.974 62.300 0.016 0.000 0.840 337 V CB 1.026 32.858 31.823 0.015 0.000 0.994 337 V HN 0.748 nan 8.190 nan 0.000 0.431 338 D N 2.704 123.111 120.400 0.011 0.000 2.354 338 D HA 0.085 4.725 4.640 -0.000 0.000 0.238 338 D C 1.307 177.611 176.300 0.007 0.000 1.250 338 D CA 0.005 54.010 54.000 0.008 0.000 0.911 338 D CB 1.803 42.606 40.800 0.005 0.000 1.163 338 D HN 0.215 nan 8.370 nan 0.000 0.456 339 V N 1.131 121.048 119.914 0.004 0.000 2.453 339 V HA -0.271 3.848 4.120 -0.000 0.000 0.252 339 V C 1.359 177.455 176.094 0.004 0.000 1.068 339 V CA 2.337 64.639 62.300 0.003 0.000 1.070 339 V CB -0.782 31.041 31.823 0.001 0.000 0.664 339 V HN 0.610 nan 8.190 nan 0.000 0.461 340 D N -0.404 119.997 120.400 0.003 0.000 2.336 340 D HA 0.273 4.913 4.640 -0.000 0.000 0.228 340 D C 1.494 177.797 176.300 0.005 0.000 1.120 340 D CA 0.636 54.638 54.000 0.003 0.000 0.839 340 D CB -0.008 40.793 40.800 0.002 0.000 0.932 340 D HN 0.409 nan 8.370 nan 0.000 0.509 341 G N -0.323 108.480 108.800 0.006 0.000 2.184 341 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.264 341 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.264 341 G C 0.443 175.348 174.900 0.008 0.000 0.975 341 G CA 0.370 45.475 45.100 0.007 0.000 0.642 341 G HN 0.436 nan 8.290 nan 0.000 0.536 342 T N 2.060 116.618 114.554 0.008 0.000 2.829 342 T HA 0.327 4.677 4.350 -0.000 0.000 0.293 342 T C 0.660 175.367 174.700 0.012 0.000 0.970 342 T CA 0.362 62.467 62.100 0.009 0.000 1.168 342 T CB 0.692 69.565 68.868 0.008 0.000 0.911 342 T HN 0.303 nan 8.240 nan 0.000 0.535 343 K N 4.203 124.611 120.400 0.013 0.000 2.310 343 K HA 0.284 4.604 4.320 -0.000 0.000 0.290 343 K C -0.232 176.378 176.600 0.018 0.000 1.077 343 K CA -0.032 56.264 56.287 0.015 0.000 0.922 343 K CB 0.405 32.914 32.500 0.014 0.000 1.057 343 K HN 0.567 nan 8.250 nan 0.000 0.479 344 I N 6.174 126.756 120.570 0.020 0.000 2.359 344 I HA 0.218 4.387 4.170 -0.000 0.000 0.284 344 I C -2.268 173.865 176.117 0.026 0.000 1.018 344 I CA -2.636 58.678 61.300 0.023 0.000 1.173 344 I CB 1.270 39.282 38.000 0.021 0.000 1.326 344 I HN 0.235 nan 8.210 nan 0.000 0.462 345 P HA 0.062 nan 4.420 nan 0.000 0.270 345 P C 0.678 177.996 177.300 0.029 0.000 1.223 345 P CA -0.056 63.063 63.100 0.031 0.000 0.785 345 P CB 0.952 32.674 31.700 0.036 0.000 0.923 346 A N 2.027 124.862 122.820 0.025 0.000 1.917 346 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 346 A C 1.920 179.510 177.584 0.010 0.000 1.182 346 A CA 1.783 53.827 52.037 0.011 0.000 0.633 346 A CB -1.643 17.363 19.000 0.010 0.000 0.819 346 A HN 0.575 nan 8.150 nan 0.000 0.448 347 L N 0.065 121.313 121.223 0.043 0.000 2.012 347 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 347 L C 2.162 179.088 176.870 0.093 0.000 1.073 347 L CA 2.548 57.440 54.840 0.086 0.000 0.748 347 L CB -0.687 41.433 42.059 0.101 0.000 0.891 347 L HN 0.536 nan 8.230 nan 0.000 0.431 348 E N -1.195 119.047 120.200 0.071 0.000 2.106 348 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 348 E C 2.144 178.767 176.600 0.039 0.000 0.984 348 E CA 1.267 57.709 56.400 0.069 0.000 0.806 348 E CB -0.076 29.657 29.700 0.054 0.000 0.750 348 E HN 0.424 nan 8.360 nan 0.000 0.458 349 V N 1.342 121.273 119.914 0.028 0.000 2.358 349 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 349 V C 2.324 178.445 176.094 0.045 0.000 1.047 349 V CA 1.804 64.135 62.300 0.053 0.000 1.035 349 V CB -0.658 31.201 31.823 0.061 0.000 0.658 349 V HN 0.294 nan 8.190 nan 0.000 0.452 350 A N -0.249 122.500 122.820 -0.118 0.000 1.877 350 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 350 A C 2.489 179.703 177.584 -0.618 0.000 1.186 350 A CA 2.186 53.939 52.037 -0.474 0.000 0.620 350 A CB -0.767 17.938 19.000 -0.491 0.000 0.822 350 A HN 0.492 nan 8.150 nan 0.000 0.443 351 S N -0.521 115.075 115.700 -0.172 0.000 2.383 351 S HA -0.156 4.313 4.470 -0.000 0.000 0.229 351 S C 1.831 176.464 174.600 0.056 0.000 1.030 351 S CA 1.503 59.757 58.200 0.090 0.000 1.002 351 S CB -0.390 62.974 63.200 0.272 0.000 0.829 351 S HN 0.482 nan 8.310 nan 0.000 0.467 352 L N 0.363 121.577 121.223 -0.014 0.000 2.056 352 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 352 L C 1.806 178.597 176.870 -0.131 0.000 1.078 352 L CA 1.705 56.506 54.840 -0.065 0.000 0.749 352 L CB -0.835 41.153 42.059 -0.117 0.000 0.901 352 L HN 0.254 nan 8.230 nan 0.000 0.433 353 Y N -1.269 118.912 120.300 -0.198 0.000 2.242 353 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 353 Y C 2.269 178.115 175.900 -0.091 0.000 1.137 353 Y CA 2.021 60.000 58.100 -0.201 0.000 1.181 353 Y CB -0.454 37.819 38.460 -0.311 0.000 0.989 353 Y HN 0.134 nan 8.280 nan 0.000 0.527 354 F N -0.344 119.616 119.950 0.018 0.000 2.102 354 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 354 F C 2.338 178.119 175.800 -0.032 0.000 1.105 354 F CA 0.900 58.861 58.000 -0.064 0.000 1.239 354 F CB -0.298 38.574 39.000 -0.212 0.000 0.991 354 F HN -0.134 nan 8.300 nan 0.000 0.474 355 R N -0.219 120.389 120.500 0.180 0.000 2.237 355 R HA -0.080 4.260 4.340 -0.000 0.000 0.219 355 R C 1.927 178.246 176.300 0.031 0.000 1.080 355 R CA 1.137 57.294 56.100 0.095 0.000 0.995 355 R CB -0.302 30.046 30.300 0.080 0.000 0.875 355 R HN 0.108 nan 8.270 nan 0.000 0.462 356 S N -1.241 114.459 115.700 -0.000 0.000 2.528 356 S HA 0.121 4.591 4.470 -0.000 0.000 0.219 356 S C 1.200 175.778 174.600 -0.037 0.000 0.985 356 S CA 0.784 58.950 58.200 -0.056 0.000 0.914 356 S CB 1.087 64.199 63.200 -0.147 0.000 0.776 356 S HN 0.659 nan 8.310 nan 0.000 0.526 357 G N 0.502 109.310 108.800 0.014 0.000 2.425 357 G HA2 0.030 3.989 3.960 -0.000 0.000 0.177 357 G HA3 0.030 3.989 3.960 -0.000 0.000 0.177 357 G C 0.086 175.014 174.900 0.047 0.000 0.999 357 G CA -0.263 44.840 45.100 0.004 0.000 0.723 357 G HN 0.666 nan 8.290 nan 0.000 0.491 358 A N 0.343 123.238 122.820 0.124 0.000 2.371 358 A HA 0.631 4.950 4.320 -0.000 0.000 0.257 358 A C 0.794 178.519 177.584 0.236 0.000 1.089 358 A CA 0.624 52.777 52.037 0.194 0.000 0.794 358 A CB 0.479 19.618 19.000 0.231 0.000 1.029 358 A HN 0.118 nan 8.150 nan 0.000 0.488 359 D N 0.122 120.613 120.400 0.152 0.000 2.454 359 D HA 0.150 4.790 4.640 -0.000 0.000 0.219 359 D C -0.144 176.175 176.300 0.032 0.000 1.081 359 D CA 0.873 54.873 54.000 -0.001 0.000 0.867 359 D CB 0.545 41.317 40.800 -0.046 0.000 1.054 359 D HN 0.537 nan 8.370 nan 0.000 0.500 360 K N 0.785 121.321 120.400 0.226 0.000 2.523 360 K HA 0.422 4.741 4.320 -0.000 0.000 0.257 360 K C -0.946 175.799 176.600 0.242 0.000 0.932 360 K CA -0.742 55.698 56.287 0.255 0.000 0.812 360 K CB 3.572 36.154 32.500 0.136 0.000 1.326 360 K HN -0.207 nan 8.250 nan 0.000 0.433 361 V N -1.408 118.615 119.914 0.181 0.000 2.581 361 V HA 0.618 4.738 4.120 -0.000 0.000 0.303 361 V C -0.324 175.758 176.094 -0.019 0.000 1.041 361 V CA -0.671 61.609 62.300 -0.034 0.000 0.907 361 V CB 1.704 33.391 31.823 -0.228 0.000 0.994 361 V HN 0.687 nan 8.190 nan 0.000 0.442 362 S N 4.676 120.342 115.700 -0.058 0.000 2.442 362 S HA 0.707 5.177 4.470 -0.000 0.000 0.297 362 S C -0.538 174.023 174.600 -0.064 0.000 1.131 362 S CA -0.709 57.468 58.200 -0.038 0.000 1.092 362 S CB 0.461 63.648 63.200 -0.022 0.000 0.998 362 S HN 0.639 nan 8.310 nan 0.000 0.478 363 I N 5.172 125.714 120.570 -0.048 0.000 2.354 363 I HA 0.386 4.556 4.170 -0.000 0.000 0.292 363 I C 1.143 177.227 176.117 -0.054 0.000 0.989 363 I CA -0.278 60.990 61.300 -0.054 0.000 1.188 363 I CB 0.723 38.698 38.000 -0.040 0.000 1.342 363 I HN 0.846 nan 8.210 nan 0.000 0.457 364 G N 3.885 112.646 108.800 -0.066 0.000 2.529 364 G HA2 0.005 3.965 3.960 -0.000 0.000 0.220 364 G HA3 0.005 3.965 3.960 -0.000 0.000 0.220 364 G C 1.031 175.862 174.900 -0.115 0.000 1.976 364 G CA 0.407 45.464 45.100 -0.072 0.000 0.789 364 G HN 0.466 nan 8.290 nan 0.000 0.695 365 T N 1.596 116.059 114.554 -0.150 0.000 2.665 365 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 365 T C 1.903 176.320 174.700 -0.471 0.000 1.035 365 T CA 2.009 63.929 62.100 -0.300 0.000 1.151 365 T CB -0.451 68.270 68.868 -0.245 0.000 0.862 365 T HN 0.227 nan 8.240 nan 0.000 0.438 366 D N 1.049 121.309 120.400 -0.233 0.000 2.263 366 D HA 0.059 4.699 4.640 -0.000 0.000 0.208 366 D C 2.124 178.393 176.300 -0.052 0.000 0.971 366 D CA 0.815 54.767 54.000 -0.080 0.000 0.867 366 D CB -0.306 40.519 40.800 0.042 0.000 0.929 366 D HN 0.427 nan 8.370 nan 0.000 0.492 367 A N 0.081 122.847 122.820 -0.090 0.000 1.930 367 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 367 A C 2.315 179.883 177.584 -0.027 0.000 1.175 367 A CA 0.879 52.888 52.037 -0.046 0.000 0.627 367 A CB -0.534 18.435 19.000 -0.051 0.000 0.815 367 A HN 0.159 nan 8.150 nan 0.000 0.443 368 V N -1.270 118.588 119.914 -0.094 0.000 2.358 368 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 368 V C 2.307 178.461 176.094 0.100 0.000 1.047 368 V CA 1.711 63.993 62.300 -0.030 0.000 1.035 368 V CB -1.137 30.617 31.823 -0.115 0.000 0.658 368 V HN 0.714 nan 8.190 nan 0.000 0.452 369 Y N 0.353 120.692 120.300 0.064 0.000 2.181 369 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 369 Y C 2.628 178.569 175.900 0.068 0.000 1.146 369 Y CA 0.734 58.873 58.100 0.063 0.000 1.164 369 Y CB -0.377 38.110 38.460 0.046 0.000 0.982 369 Y HN 0.260 nan 8.280 nan 0.000 0.515 370 A N 0.378 123.323 122.820 0.208 0.000 1.902 370 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 370 A C 2.384 180.042 177.584 0.124 0.000 1.181 370 A CA 1.661 53.777 52.037 0.130 0.000 0.623 370 A CB -1.055 17.985 19.000 0.067 0.000 0.818 370 A HN 0.426 nan 8.150 nan 0.000 0.443 371 A N -0.196 122.695 122.820 0.118 0.000 1.898 371 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 371 A C 1.911 179.676 177.584 0.301 0.000 1.181 371 A CA 1.581 53.706 52.037 0.146 0.000 0.620 371 A CB -0.485 18.619 19.000 0.174 0.000 0.819 371 A HN 0.634 nan 8.150 nan 0.000 0.442 372 E N -0.406 119.966 120.200 0.288 0.000 2.047 372 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 372 E C 2.093 178.835 176.600 0.236 0.000 0.987 372 E CA 1.333 57.910 56.400 0.295 0.000 0.799 372 E CB -0.142 29.703 29.700 0.241 0.000 0.752 372 E HN 0.629 nan 8.360 nan 0.000 0.449 373 K N 0.346 120.855 120.400 0.182 0.000 2.097 373 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 373 K C 2.174 178.832 176.600 0.096 0.000 1.049 373 K CA 1.110 57.469 56.287 0.120 0.000 0.933 373 K CB -0.189 32.372 32.500 0.102 0.000 0.717 373 K HN 0.106 nan 8.250 nan 0.000 0.442 374 Y N 0.448 120.721 120.300 -0.046 0.000 2.114 374 Y HA -0.319 4.231 4.550 -0.000 0.000 0.282 374 Y C 1.631 177.402 175.900 -0.214 0.000 1.165 374 Y CA 2.015 60.006 58.100 -0.182 0.000 1.148 374 Y CB -0.471 37.784 38.460 -0.342 0.000 0.972 374 Y HN 0.124 nan 8.280 nan 0.000 0.504 375 Y N 0.118 120.447 120.300 0.048 0.000 2.314 375 Y HA -0.133 4.417 4.550 -0.000 0.000 0.293 375 Y C 2.445 178.308 175.900 -0.062 0.000 1.129 375 Y CA 1.339 59.415 58.100 -0.040 0.000 1.201 375 Y CB -0.249 38.265 38.460 0.089 0.000 0.999 375 Y HN 0.189 nan 8.280 nan 0.000 0.541 376 E N 0.363 120.626 120.200 0.106 0.000 2.051 376 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 376 E C 1.685 178.280 176.600 -0.008 0.000 0.991 376 E CA 1.097 57.529 56.400 0.054 0.000 0.799 376 E CB -0.263 29.471 29.700 0.057 0.000 0.748 376 E HN 0.451 nan 8.360 nan 0.000 0.449 377 L N -0.069 121.121 121.223 -0.055 0.000 2.622 377 L HA 0.057 4.397 4.340 -0.000 0.000 0.233 377 L C 0.957 177.749 176.870 -0.129 0.000 1.156 377 L CA 0.350 55.140 54.840 -0.084 0.000 0.866 377 L CB -0.242 41.765 42.059 -0.086 0.000 0.980 377 L HN 0.283 nan 8.230 nan 0.000 0.448 378 G N 0.613 109.326 108.800 -0.145 0.000 2.248 378 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.252 378 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.252 378 G C 0.108 174.846 174.900 -0.271 0.000 1.085 378 G CA -0.054 44.961 45.100 -0.141 0.000 0.845 378 G HN 0.487 nan 8.290 nan 0.000 0.494 379 N N -1.342 117.013 118.700 -0.575 0.000 2.756 379 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 379 N C 0.345 175.289 175.510 -0.943 0.000 1.062 379 N CA 1.804 54.171 53.050 -1.138 0.000 0.696 379 N CB -0.582 37.676 38.487 -0.382 0.000 0.946 379 N HN 0.954 nan 8.380 nan 0.000 0.548 380 R N -0.742 119.270 120.500 -0.814 0.000 2.774 380 R HA 0.802 5.142 4.340 -0.000 0.000 0.272 380 R C 0.372 176.656 176.300 -0.028 0.000 1.000 380 R CA -0.548 55.412 56.100 -0.232 0.000 0.906 380 R CB 1.686 31.905 30.300 -0.136 0.000 1.227 380 R HN 0.140 nan 8.270 nan 0.000 0.468 381 G N -0.149 108.713 108.800 0.104 0.000 2.432 381 G HA2 0.338 4.297 3.960 -0.000 0.000 0.331 381 G HA3 0.338 4.297 3.960 -0.000 0.000 0.331 381 G C -0.149 174.781 174.900 0.050 0.000 1.170 381 G CA -0.544 44.625 45.100 0.115 0.000 0.943 381 G HN 0.634 nan 8.290 nan 0.000 0.483 382 D N -1.001 119.424 120.400 0.042 0.000 2.363 382 D HA 0.208 4.848 4.640 -0.000 0.000 0.214 382 D C 1.566 177.882 176.300 0.026 0.000 1.093 382 D CA 0.296 54.311 54.000 0.025 0.000 0.837 382 D CB 0.055 40.867 40.800 0.020 0.000 0.948 382 D HN 1.056 nan 8.370 nan 0.000 0.507 383 G N 0.536 109.355 108.800 0.031 0.000 2.155 383 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 383 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 383 G C 1.048 175.964 174.900 0.027 0.000 0.983 383 G CA 1.101 46.217 45.100 0.026 0.000 0.676 383 G HN 0.633 nan 8.290 nan 0.000 0.528 384 T N -2.033 112.540 114.554 0.031 0.000 3.014 384 T HA 0.456 4.806 4.350 -0.000 0.000 0.250 384 T C 1.531 176.254 174.700 0.038 0.000 1.060 384 T CA 1.130 63.248 62.100 0.032 0.000 1.040 384 T CB 0.133 69.018 68.868 0.029 0.000 0.971 384 T HN 1.544 nan 8.240 nan 0.000 0.497 385 S N 2.360 118.086 115.700 0.042 0.000 2.572 385 S HA 0.259 4.729 4.470 -0.000 0.000 0.279 385 S C -1.767 172.857 174.600 0.039 0.000 1.341 385 S CA -0.983 57.245 58.200 0.047 0.000 1.043 385 S CB 1.053 64.281 63.200 0.046 0.000 0.887 385 S HN 0.009 nan 8.310 nan 0.000 0.516 386 P HA -0.042 nan 4.420 nan 0.000 0.219 386 P C 1.239 178.558 177.300 0.031 0.000 1.146 386 P CA 0.941 64.059 63.100 0.031 0.000 0.808 386 P CB -0.102 31.608 31.700 0.018 0.000 0.779 387 I N -0.413 120.171 120.570 0.022 0.000 2.179 387 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 387 I C 2.249 178.382 176.117 0.026 0.000 1.088 387 I CA 1.620 62.930 61.300 0.017 0.000 1.357 387 I CB -0.668 37.327 38.000 -0.009 0.000 1.051 387 I HN -0.003 nan 8.210 nan 0.000 0.409 388 E N 0.483 120.697 120.200 0.024 0.000 2.047 388 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 388 E C 2.255 178.875 176.600 0.033 0.000 0.987 388 E CA 2.074 58.489 56.400 0.025 0.000 0.799 388 E CB -0.208 29.507 29.700 0.025 0.000 0.752 388 E HN 0.597 nan 8.360 nan 0.000 0.449 389 T N -0.115 114.463 114.554 0.040 0.000 2.746 389 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 389 T C 2.020 176.768 174.700 0.080 0.000 1.039 389 T CA 0.970 63.097 62.100 0.045 0.000 1.142 389 T CB -0.423 68.473 68.868 0.047 0.000 0.866 389 T HN 0.054 nan 8.240 nan 0.000 0.444 390 I N 2.419 123.058 120.570 0.115 0.000 2.353 390 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 390 I C 3.074 179.336 176.117 0.242 0.000 1.119 390 I CA 1.384 62.816 61.300 0.222 0.000 1.417 390 I CB -0.445 37.657 38.000 0.171 0.000 1.078 390 I HN 0.459 nan 8.210 nan 0.000 0.421 391 S N 0.673 116.454 115.700 0.136 0.000 2.414 391 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 391 S C 1.948 176.586 174.600 0.063 0.000 1.022 391 S CA 0.572 58.837 58.200 0.109 0.000 0.958 391 S CB -0.248 62.993 63.200 0.068 0.000 0.797 391 S HN 0.348 nan 8.310 nan 0.000 0.493 392 K N 1.299 121.714 120.400 0.024 0.000 2.097 392 K HA 0.146 4.465 4.320 -0.000 0.000 0.205 392 K C 2.398 178.923 176.600 -0.125 0.000 1.050 392 K CA 1.178 57.447 56.287 -0.030 0.000 0.938 392 K CB -0.350 32.131 32.500 -0.031 0.000 0.718 392 K HN 0.521 nan 8.250 nan 0.000 0.442 393 A N -0.120 122.581 122.820 -0.198 0.000 1.887 393 A HA -0.036 4.284 4.320 -0.000 0.000 0.212 393 A C 1.337 178.551 177.584 -0.617 0.000 1.198 393 A CA 0.892 52.554 52.037 -0.625 0.000 0.628 393 A CB -0.273 18.306 19.000 -0.702 0.000 0.847 393 A HN 0.271 nan 8.150 nan 0.000 0.449 394 Y N -0.450 119.812 120.300 -0.064 0.000 2.467 394 Y HA 0.430 4.979 4.550 -0.000 0.000 0.250 394 Y C 1.328 177.224 175.900 -0.007 0.000 1.155 394 Y CA 0.112 58.200 58.100 -0.019 0.000 1.249 394 Y CB 0.175 38.607 38.460 -0.046 0.000 1.146 394 Y HN 0.518 nan 8.280 nan 0.000 0.524 395 G N 0.323 109.194 108.800 0.119 0.000 2.730 395 G HA2 -0.029 3.930 3.960 -0.000 0.000 0.686 395 G HA3 -0.029 3.930 3.960 -0.000 0.000 0.686 395 G C 0.736 175.705 174.900 0.115 0.000 1.343 395 G CA -0.472 44.697 45.100 0.115 0.000 0.826 395 G HN 0.423 nan 8.290 nan 0.000 0.582 396 A N 0.251 123.129 122.820 0.098 0.000 1.972 396 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 396 A C 2.439 180.061 177.584 0.062 0.000 1.169 396 A CA 2.378 54.454 52.037 0.066 0.000 0.635 396 A CB -0.404 18.619 19.000 0.039 0.000 0.810 396 A HN 1.495 nan 8.150 nan 0.000 0.446 397 Q N -0.432 119.409 119.800 0.069 0.000 2.364 397 Q HA -0.031 4.308 4.340 -0.000 0.000 0.209 397 Q C 1.579 177.617 176.000 0.063 0.000 0.977 397 Q CA 1.519 57.358 55.803 0.061 0.000 0.885 397 Q CB -0.587 28.192 28.738 0.068 0.000 0.941 397 Q HN 0.577 nan 8.270 nan 0.000 0.464 398 A N 0.579 123.441 122.820 0.070 0.000 2.275 398 A HA 0.342 4.662 4.320 -0.000 0.000 0.212 398 A C 0.507 178.188 177.584 0.162 0.000 1.201 398 A CA -0.120 51.960 52.037 0.072 0.000 0.843 398 A CB 0.589 19.594 19.000 0.009 0.000 0.873 398 A HN 0.125 nan 8.150 nan 0.000 0.492 399 V N 0.187 120.168 119.914 0.112 0.000 2.444 399 V HA 0.481 4.601 4.120 -0.000 0.000 0.294 399 V C -0.650 175.473 176.094 0.048 0.000 1.022 399 V CA -0.608 61.743 62.300 0.086 0.000 0.850 399 V CB 1.431 33.297 31.823 0.071 0.000 0.992 399 V HN 0.049 nan 8.190 nan 0.000 0.426 400 V N 6.306 126.242 119.914 0.037 0.000 2.680 400 V HA 0.607 4.727 4.120 -0.000 0.000 0.309 400 V C -0.792 175.300 176.094 -0.003 0.000 1.052 400 V CA -0.595 61.716 62.300 0.018 0.000 0.908 400 V CB 1.962 33.803 31.823 0.031 0.000 1.001 400 V HN 0.681 nan 8.190 nan 0.000 0.431 401 I N 4.911 125.471 120.570 -0.016 0.000 2.321 401 I HA 0.349 4.518 4.170 -0.000 0.000 0.291 401 I C 0.389 176.490 176.117 -0.027 0.000 0.998 401 I CA 0.092 61.376 61.300 -0.027 0.000 1.227 401 I CB 1.354 39.332 38.000 -0.038 0.000 1.368 401 I HN 0.615 nan 8.210 nan 0.000 0.466 402 S N 6.191 121.874 115.700 -0.027 0.000 2.411 402 S HA 0.496 4.966 4.470 -0.000 0.000 0.294 402 S C -0.389 174.196 174.600 -0.024 0.000 1.115 402 S CA -0.405 57.781 58.200 -0.024 0.000 1.071 402 S CB 0.244 63.431 63.200 -0.022 0.000 0.967 402 S HN 0.339 nan 8.310 nan 0.000 0.488 403 V N 5.108 125.011 119.914 -0.019 0.000 2.483 403 V HA 0.458 4.578 4.120 -0.000 0.000 0.295 403 V C -0.563 175.532 176.094 0.002 0.000 1.035 403 V CA -0.772 61.524 62.300 -0.007 0.000 0.896 403 V CB 1.967 33.787 31.823 -0.005 0.000 0.986 403 V HN 0.775 nan 8.190 nan 0.000 0.447 404 D N 5.008 125.417 120.400 0.015 0.000 2.517 404 D HA 0.332 4.972 4.640 -0.000 0.000 0.301 404 D C -2.716 173.614 176.300 0.051 0.000 1.202 404 D CA -1.206 52.808 54.000 0.023 0.000 0.910 404 D CB 1.528 42.335 40.800 0.011 0.000 1.021 404 D HN 0.314 nan 8.370 nan 0.000 0.499 405 P HA 0.236 nan 4.420 nan 0.000 0.274 405 P C -0.284 177.120 177.300 0.173 0.000 1.237 405 P CA -0.342 62.859 63.100 0.169 0.000 0.793 405 P CB 1.419 33.267 31.700 0.248 0.000 0.977 406 K N 1.244 121.700 120.400 0.093 0.000 2.507 406 K HA 0.307 4.627 4.320 -0.000 0.000 0.251 406 K C -0.382 175.953 176.600 -0.442 0.000 0.943 406 K CA -0.827 55.402 56.287 -0.097 0.000 0.794 406 K CB 2.145 34.564 32.500 -0.134 0.000 1.188 406 K HN 0.338 nan 8.250 nan 0.000 0.428 407 R N 2.401 122.467 120.500 -0.723 0.000 2.537 407 R HA 0.177 4.516 4.340 -0.000 0.000 0.280 407 R C -1.000 174.779 176.300 -0.869 0.000 1.058 407 R CA 0.033 55.385 56.100 -1.246 0.000 1.057 407 R CB 0.505 30.148 30.300 -1.095 0.000 0.973 407 R HN 0.238 nan 8.270 nan 0.000 0.438 408 V N 6.126 125.427 119.914 -1.023 0.000 2.482 408 V HA 0.249 4.369 4.120 -0.000 0.000 0.295 408 V C -1.011 174.727 176.094 -0.593 0.000 1.026 408 V CA -0.755 61.063 62.300 -0.804 0.000 0.856 408 V CB 1.269 32.346 31.823 -1.243 0.000 1.001 408 V HN 0.688 nan 8.190 nan 0.000 0.424 409 Y N 3.808 123.961 120.300 -0.246 0.000 2.304 409 Y HA 0.638 5.187 4.550 -0.000 0.000 0.327 409 Y C 0.441 176.341 175.900 0.001 0.000 1.209 409 Y CA -0.191 57.837 58.100 -0.119 0.000 1.299 409 Y CB 1.813 40.212 38.460 -0.100 0.000 1.249 409 Y HN 0.558 nan 8.280 nan 0.000 0.519 410 V N -0.729 119.325 119.914 0.232 0.000 3.087 410 V HA 0.373 4.493 4.120 -0.000 0.000 0.306 410 V C -0.066 176.127 176.094 0.165 0.000 1.187 410 V CA -1.140 61.267 62.300 0.177 0.000 0.999 410 V CB 2.113 34.039 31.823 0.172 0.000 1.049 410 V HN 0.830 nan 8.190 nan 0.000 0.431 411 N N 1.329 120.090 118.700 0.101 0.000 2.166 411 N HA -0.033 4.707 4.740 -0.000 0.000 0.186 411 N C 0.734 176.288 175.510 0.073 0.000 1.019 411 N CA 1.801 54.906 53.050 0.090 0.000 0.856 411 N CB 0.207 38.717 38.487 0.038 0.000 0.993 411 N HN 1.090 nan 8.380 nan 0.000 0.426 412 S N -1.721 113.949 115.700 -0.050 0.000 2.643 412 S HA 0.174 4.644 4.470 -0.000 0.000 0.270 412 S C 0.264 174.706 174.600 -0.264 0.000 1.166 412 S CA -0.735 57.292 58.200 -0.288 0.000 0.815 412 S CB 1.931 64.984 63.200 -0.244 0.000 1.139 412 S HN -0.084 nan 8.310 nan 0.000 0.472 413 Q N 0.684 120.261 119.800 -0.371 0.000 2.364 413 Q HA 0.172 4.512 4.340 -0.000 0.000 0.209 413 Q C 1.800 177.685 176.000 -0.191 0.000 0.977 413 Q CA 2.021 57.667 55.803 -0.262 0.000 0.885 413 Q CB -0.807 27.770 28.738 -0.267 0.000 0.941 413 Q HN 0.888 nan 8.270 nan 0.000 0.464 414 A N -0.131 122.589 122.820 -0.167 0.000 2.119 414 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 414 A C 1.390 178.914 177.584 -0.100 0.000 1.153 414 A CA 1.265 53.229 52.037 -0.121 0.000 0.692 414 A CB -0.149 18.791 19.000 -0.100 0.000 0.799 414 A HN 0.390 nan 8.150 nan 0.000 0.458 415 D N -0.934 119.410 120.400 -0.093 0.000 2.349 415 D HA 0.048 4.688 4.640 -0.000 0.000 0.215 415 D C 0.347 176.595 176.300 -0.086 0.000 1.016 415 D CA 0.931 54.896 54.000 -0.059 0.000 0.870 415 D CB 0.396 41.188 40.800 -0.012 0.000 0.917 415 D HN 0.359 nan 8.370 nan 0.000 0.524 416 T N -0.725 113.731 114.554 -0.163 0.000 2.889 416 T HA 0.184 4.534 4.350 -0.000 0.000 0.315 416 T C 0.515 175.031 174.700 -0.307 0.000 1.291 416 T CA -0.723 61.207 62.100 -0.284 0.000 1.028 416 T CB 1.938 70.496 68.868 -0.517 0.000 1.235 416 T HN -0.082 nan 8.240 nan 0.000 0.491 417 K N 1.928 122.125 120.400 -0.337 0.000 2.228 417 K HA 0.167 4.487 4.320 -0.000 0.000 0.202 417 K C 0.539 176.943 176.600 -0.328 0.000 1.051 417 K CA 0.287 56.409 56.287 -0.275 0.000 0.960 417 K CB -0.025 32.339 32.500 -0.227 0.000 0.743 417 K HN 0.311 nan 8.250 nan 0.000 0.458 418 N N 2.439 120.832 118.700 -0.512 0.000 2.525 418 N HA 0.015 4.755 4.740 -0.000 0.000 0.271 418 N C -0.689 174.616 175.510 -0.341 0.000 1.194 418 N CA -0.227 52.535 53.050 -0.479 0.000 0.964 418 N CB 1.206 39.188 38.487 -0.841 0.000 1.126 418 N HN 0.037 nan 8.380 nan 0.000 0.452 419 K N 1.267 121.536 120.400 -0.218 0.000 2.447 419 K HA 0.107 4.427 4.320 -0.000 0.000 0.281 419 K C -0.463 176.086 176.600 -0.084 0.000 1.031 419 K CA -0.229 55.885 56.287 -0.288 0.000 1.019 419 K CB -0.010 32.030 32.500 -0.767 0.000 0.918 419 K HN 0.394 nan 8.250 nan 0.000 0.476 420 V N 1.863 121.724 119.914 -0.087 0.000 3.103 420 V HA 0.865 4.985 4.120 -0.000 0.000 0.318 420 V C -0.673 175.477 176.094 0.093 0.000 1.114 420 V CA -0.955 61.355 62.300 0.016 0.000 1.020 420 V CB 1.228 33.057 31.823 0.009 0.000 1.085 420 V HN 0.708 nan 8.190 nan 0.000 0.446 421 F N -1.349 118.620 119.950 0.030 0.000 2.599 421 F HA 0.710 5.237 4.527 -0.000 0.000 0.311 421 F C -0.466 175.363 175.800 0.049 0.000 1.076 421 F CA -1.117 56.907 58.000 0.040 0.000 0.937 421 F CB 1.703 40.665 39.000 -0.064 0.000 1.282 421 F HN 0.757 nan 8.300 nan 0.000 0.460 422 E N 1.853 122.137 120.200 0.140 0.000 2.257 422 E HA 0.211 4.560 4.350 -0.000 0.000 0.278 422 E C -0.765 175.800 176.600 -0.060 0.000 1.049 422 E CA -0.117 56.081 56.400 -0.338 0.000 0.876 422 E CB 0.972 30.472 29.700 -0.332 0.000 1.035 422 E HN 0.818 nan 8.360 nan 0.000 0.419 423 T N 2.327 116.758 114.554 -0.205 0.000 2.929 423 T HA 0.090 4.440 4.350 -0.000 0.000 0.284 423 T C 0.863 175.470 174.700 -0.156 0.000 1.014 423 T CA -0.502 61.576 62.100 -0.036 0.000 1.051 423 T CB 1.557 70.412 68.868 -0.023 0.000 1.028 423 T HN 0.653 nan 8.240 nan 0.000 0.485 424 E N 1.849 121.857 120.200 -0.319 0.000 2.358 424 E HA -0.005 4.345 4.350 -0.000 0.000 0.195 424 E C -0.666 175.625 176.600 -0.516 0.000 1.010 424 E CA 0.487 56.578 56.400 -0.515 0.000 0.856 424 E CB 0.156 29.404 29.700 -0.754 0.000 0.795 424 E HN 0.760 nan 8.360 nan 0.000 0.504 425 Y N 2.075 122.419 120.300 0.074 0.000 2.721 425 Y HA 0.346 4.896 4.550 -0.000 0.000 0.328 425 Y C -2.116 173.849 175.900 0.108 0.000 1.003 425 Y CA -3.019 55.130 58.100 0.081 0.000 1.275 425 Y CB 0.603 39.129 38.460 0.110 0.000 1.097 425 Y HN 0.025 nan 8.280 nan 0.000 0.514 426 P HA 0.037 nan 4.420 nan 0.000 0.269 426 P C 0.632 177.745 177.300 -0.311 0.000 1.215 426 P CA 0.118 63.190 63.100 -0.046 0.000 0.780 426 P CB 1.230 32.888 31.700 -0.070 0.000 0.898 427 G N 1.621 109.981 108.800 -0.733 0.000 2.553 427 G HA2 0.260 4.220 3.960 -0.000 0.000 0.278 427 G HA3 0.260 4.220 3.960 -0.000 0.000 0.278 427 G C -1.668 172.909 174.900 -0.537 0.000 1.349 427 G CA -0.984 43.349 45.100 -1.278 0.000 1.037 427 G HN 0.263 nan 8.290 nan 0.000 0.508 428 P HA -0.050 nan 4.420 nan 0.000 0.216 428 P C 1.088 178.295 177.300 -0.155 0.000 1.153 428 P CA 0.899 63.869 63.100 -0.217 0.000 0.848 428 P CB 0.206 31.811 31.700 -0.159 0.000 0.787 429 N N -1.092 117.517 118.700 -0.152 0.000 2.322 429 N HA 0.130 4.869 4.740 -0.000 0.000 0.216 429 N C 1.038 176.494 175.510 -0.091 0.000 1.144 429 N CA 0.875 53.868 53.050 -0.095 0.000 0.830 429 N CB 0.054 38.504 38.487 -0.062 0.000 1.034 429 N HN 0.156 nan 8.380 nan 0.000 0.484 430 G N 1.092 109.812 108.800 -0.132 0.000 2.159 430 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.256 430 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.256 430 G C -0.279 174.570 174.900 -0.086 0.000 0.977 430 G CA -0.205 44.833 45.100 -0.103 0.000 0.652 430 G HN 0.370 nan 8.290 nan 0.000 0.531 431 E N 0.247 120.382 120.200 -0.109 0.000 2.480 431 E HA 0.370 4.719 4.350 -0.000 0.000 0.258 431 E C 1.226 177.847 176.600 0.036 0.000 0.984 431 E CA 0.468 56.871 56.400 0.005 0.000 0.930 431 E CB 0.557 30.298 29.700 0.069 0.000 0.936 431 E HN 0.485 nan 8.360 nan 0.000 0.466 432 K N 2.009 122.446 120.400 0.062 0.000 2.367 432 K HA 0.085 4.405 4.320 -0.000 0.000 0.194 432 K C -0.411 175.959 176.600 -0.383 0.000 1.027 432 K CA 0.259 56.467 56.287 -0.132 0.000 1.075 432 K CB 0.362 32.737 32.500 -0.209 0.000 0.845 432 K HN 0.422 nan 8.250 nan 0.000 0.529 433 Y N -0.173 120.132 120.300 0.008 0.000 2.562 433 Y HA 0.402 4.952 4.550 -0.000 0.000 0.343 433 Y C 0.145 175.940 175.900 -0.175 0.000 1.025 433 Y CA -1.446 56.586 58.100 -0.115 0.000 1.082 433 Y CB 1.633 40.041 38.460 -0.086 0.000 1.264 433 Y HN 0.055 nan 8.280 nan 0.000 0.478 434 C N -0.301 118.818 119.300 -0.302 0.000 3.285 434 C HA 0.799 5.259 4.460 -0.000 0.000 0.325 434 C C -1.722 173.043 174.990 -0.377 0.000 1.304 434 C CA -1.181 57.563 59.018 -0.456 0.000 1.319 434 C CB 1.142 28.330 27.740 -0.920 0.000 1.640 434 C HN 1.070 nan 8.230 nan 0.000 0.477 435 W N -0.452 120.616 121.300 -0.386 0.000 2.975 435 W HA 0.717 5.377 4.660 -0.000 0.000 0.342 435 W C -2.440 174.016 176.519 -0.105 0.000 1.168 435 W CA -1.532 55.740 57.345 -0.122 0.000 1.141 435 W CB 0.578 30.021 29.460 -0.029 0.000 1.445 435 W HN 0.758 nan 8.180 nan 0.000 0.560 436 Y N 1.922 122.303 120.300 0.134 0.000 2.334 436 Y HA 0.230 4.780 4.550 -0.000 0.000 0.336 436 Y C 0.631 176.517 175.900 -0.022 0.000 0.960 436 Y CA -0.637 57.430 58.100 -0.055 0.000 1.164 436 Y CB 1.690 40.226 38.460 0.127 0.000 1.155 436 Y HN 0.376 nan 8.280 nan 0.000 0.478 437 Q N 2.887 122.493 119.800 -0.322 0.000 2.286 437 Q HA 0.393 4.733 4.340 -0.000 0.000 0.257 437 Q C -1.036 174.993 176.000 0.048 0.000 0.941 437 Q CA -0.422 55.279 55.803 -0.171 0.000 0.912 437 Q CB 0.618 29.064 28.738 -0.487 0.000 1.192 437 Q HN 0.765 nan 8.270 nan 0.000 0.410 438 C N 3.392 122.786 119.300 0.158 0.000 2.388 438 C HA 0.579 5.039 4.460 -0.000 0.000 0.362 438 C C 0.586 175.624 174.990 0.079 0.000 1.266 438 C CA -0.649 58.440 59.018 0.118 0.000 2.028 438 C CB 0.332 28.157 27.740 0.140 0.000 2.440 438 C HN 0.877 nan 8.230 nan 0.000 0.547 439 T N 1.065 115.646 114.554 0.044 0.000 2.950 439 T HA 0.844 5.193 4.350 -0.000 0.000 0.288 439 T C -0.451 174.246 174.700 -0.004 0.000 1.035 439 T CA -0.540 61.574 62.100 0.024 0.000 1.028 439 T CB 1.200 70.076 68.868 0.014 0.000 1.109 439 T HN 0.755 nan 8.240 nan 0.000 0.514 440 I N -2.451 118.111 120.570 -0.013 0.000 3.457 440 I HA 0.653 4.822 4.170 -0.000 0.000 0.307 440 I C -0.842 175.261 176.117 -0.024 0.000 1.138 440 I CA -1.965 59.300 61.300 -0.057 0.000 0.974 440 I CB 1.476 39.406 38.000 -0.116 0.000 1.324 440 I HN 0.733 nan 8.210 nan 0.000 0.485 441 K N 1.847 122.228 120.400 -0.031 0.000 3.689 441 K HA -0.158 4.162 4.320 -0.000 0.000 0.276 441 K C 0.698 177.299 176.600 0.002 0.000 0.932 441 K CA 0.685 56.971 56.287 -0.002 0.000 0.758 441 K CB -1.964 30.552 32.500 0.026 0.000 1.500 441 K HN 1.364 nan 8.250 nan 0.000 0.448 442 G N -0.521 108.275 108.800 -0.006 0.000 2.225 442 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.267 442 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.267 442 G C 0.867 175.769 174.900 0.002 0.000 1.024 442 G CA 0.868 45.968 45.100 -0.000 0.000 0.784 442 G HN 1.614 nan 8.290 nan 0.000 0.507 443 G N -1.472 107.328 108.800 0.000 0.000 2.143 443 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.248 443 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.248 443 G C 1.017 175.921 174.900 0.007 0.000 0.991 443 G CA 1.245 46.347 45.100 0.003 0.000 0.689 443 G HN 0.954 nan 8.290 nan 0.000 0.522 444 R N -0.113 120.394 120.500 0.011 0.000 2.200 444 R HA 0.219 4.559 4.340 -0.000 0.000 0.208 444 R C 0.995 177.308 176.300 0.022 0.000 1.033 444 R CA 0.932 57.041 56.100 0.015 0.000 1.000 444 R CB 0.356 30.668 30.300 0.019 0.000 0.906 444 R HN 0.537 nan 8.270 nan 0.000 0.462 445 E N 0.708 120.924 120.200 0.027 0.000 2.234 445 E HA 0.252 4.601 4.350 -0.000 0.000 0.266 445 E C -1.152 175.474 176.600 0.043 0.000 0.877 445 E CA -0.380 56.044 56.400 0.040 0.000 0.758 445 E CB 1.712 31.446 29.700 0.057 0.000 1.170 445 E HN -0.049 nan 8.360 nan 0.000 0.415 446 S N 3.015 118.743 115.700 0.048 0.000 2.646 446 S HA 0.563 5.033 4.470 -0.000 0.000 0.276 446 S C -0.243 174.412 174.600 0.091 0.000 1.222 446 S CA -0.776 57.459 58.200 0.058 0.000 1.014 446 S CB 1.049 64.276 63.200 0.044 0.000 0.991 446 S HN 0.404 nan 8.310 nan 0.000 0.533 447 R N 0.824 121.397 120.500 0.121 0.000 2.771 447 R HA 0.293 4.633 4.340 -0.000 0.000 0.274 447 R C -1.510 174.913 176.300 0.205 0.000 0.987 447 R CA -0.764 55.426 56.100 0.150 0.000 0.908 447 R CB 1.463 31.852 30.300 0.148 0.000 1.213 447 R HN 0.550 nan 8.270 nan 0.000 0.468 448 D N 2.099 122.610 120.400 0.185 0.000 2.619 448 D HA 0.241 4.880 4.640 -0.000 0.000 0.224 448 D C -1.049 175.341 176.300 0.149 0.000 1.133 448 D CA -0.074 54.042 54.000 0.193 0.000 1.017 448 D CB -0.254 40.605 40.800 0.100 0.000 1.077 448 D HN 0.139 nan 8.370 nan 0.000 0.503 449 L N 1.523 122.901 121.223 0.258 0.000 2.505 449 L HA 0.650 4.990 4.340 -0.000 0.000 0.266 449 L C -0.008 177.096 176.870 0.391 0.000 0.954 449 L CA -0.567 54.409 54.840 0.227 0.000 0.852 449 L CB 1.914 44.098 42.059 0.207 0.000 1.282 449 L HN 0.158 nan 8.230 nan 0.000 0.403 450 G N 2.172 111.198 108.800 0.377 0.000 2.537 450 G HA2 0.385 4.345 3.960 -0.000 0.000 0.273 450 G HA3 0.385 4.345 3.960 -0.000 0.000 0.273 450 G C 0.598 175.756 174.900 0.430 0.000 1.189 450 G CA 0.039 45.483 45.100 0.574 0.000 0.881 450 G HN 0.637 nan 8.290 nan 0.000 0.535 451 V N 1.367 121.553 119.914 0.455 0.000 2.515 451 V HA -0.062 4.058 4.120 -0.000 0.000 0.250 451 V C 1.941 178.187 176.094 0.253 0.000 1.058 451 V CA 1.682 64.163 62.300 0.302 0.000 1.064 451 V CB -0.538 31.444 31.823 0.266 0.000 0.675 451 V HN 0.812 nan 8.190 nan 0.000 0.461 452 W N 1.061 122.450 121.300 0.147 0.000 2.354 452 W HA -0.205 4.455 4.660 -0.000 0.000 0.315 452 W C 2.050 178.609 176.519 0.067 0.000 1.206 452 W CA 2.232 59.579 57.345 0.003 0.000 1.290 452 W CB -0.345 29.158 29.460 0.071 0.000 1.152 452 W HN 0.354 nan 8.180 nan 0.000 0.489 453 E N 0.691 121.138 120.200 0.411 0.000 2.072 453 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 453 E C 1.967 178.768 176.600 0.335 0.000 0.985 453 E CA 1.565 58.153 56.400 0.313 0.000 0.801 453 E CB -1.102 28.642 29.700 0.074 0.000 0.750 453 E HN 0.212 nan 8.360 nan 0.000 0.452 454 L N 0.852 122.218 121.223 0.239 0.000 2.017 454 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 454 L C 2.250 179.143 176.870 0.039 0.000 1.073 454 L CA 2.534 57.472 54.840 0.163 0.000 0.745 454 L CB -1.224 40.916 42.059 0.135 0.000 0.894 454 L HN 0.348 nan 8.230 nan 0.000 0.432 455 T N -3.078 111.465 114.554 -0.017 0.000 2.821 455 T HA -0.184 4.165 4.350 -0.000 0.000 0.267 455 T C 2.065 176.663 174.700 -0.170 0.000 1.046 455 T CA 1.287 63.324 62.100 -0.106 0.000 1.139 455 T CB -0.503 68.279 68.868 -0.143 0.000 0.871 455 T HN 0.360 nan 8.240 nan 0.000 0.454 456 R N 1.180 121.561 120.500 -0.198 0.000 2.081 456 R HA 0.179 4.519 4.340 -0.000 0.000 0.235 456 R C 2.986 179.124 176.300 -0.270 0.000 1.131 456 R CA 1.268 57.230 56.100 -0.229 0.000 0.960 456 R CB -0.636 29.526 30.300 -0.230 0.000 0.856 456 R HN 0.540 nan 8.270 nan 0.000 0.436 457 A N 0.430 123.075 122.820 -0.292 0.000 1.873 457 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 457 A C 2.338 179.548 177.584 -0.624 0.000 1.186 457 A CA 1.346 52.902 52.037 -0.802 0.000 0.616 457 A CB -0.821 17.818 19.000 -0.600 0.000 0.823 457 A HN 0.452 nan 8.150 nan 0.000 0.442 458 C N -0.623 118.492 119.300 -0.309 0.000 2.422 458 C HA -0.078 4.382 4.460 -0.000 0.000 0.279 458 C C 2.644 177.517 174.990 -0.194 0.000 1.305 458 C CA 1.210 60.104 59.018 -0.206 0.000 1.757 458 C CB -1.164 26.505 27.740 -0.118 0.000 1.962 458 C HN 0.784 nan 8.230 nan 0.000 0.499 459 E N 1.050 121.125 120.200 -0.209 0.000 2.072 459 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 459 E C 2.215 178.710 176.600 -0.174 0.000 0.985 459 E CA 1.212 57.511 56.400 -0.168 0.000 0.801 459 E CB -0.167 29.431 29.700 -0.171 0.000 0.750 459 E HN 0.578 nan 8.360 nan 0.000 0.452 460 A N 0.951 123.614 122.820 -0.260 0.000 1.969 460 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 460 A C 2.079 179.561 177.584 -0.171 0.000 1.169 460 A CA 0.754 52.658 52.037 -0.222 0.000 0.635 460 A CB -0.409 18.391 19.000 -0.334 0.000 0.810 460 A HN 0.316 nan 8.150 nan 0.000 0.445 461 L N -1.519 119.567 121.223 -0.229 0.000 2.554 461 L HA 0.161 4.501 4.340 -0.000 0.000 0.226 461 L C 1.610 178.445 176.870 -0.059 0.000 1.137 461 L CA 0.641 55.408 54.840 -0.122 0.000 0.863 461 L CB -0.049 41.926 42.059 -0.139 0.000 0.985 461 L HN 0.596 nan 8.230 nan 0.000 0.451 462 G N -0.598 108.164 108.800 -0.063 0.000 2.175 462 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.182 462 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.182 462 G C 0.325 175.215 174.900 -0.016 0.000 1.003 462 G CA -0.213 44.873 45.100 -0.023 0.000 0.666 462 G HN 0.402 nan 8.290 nan 0.000 0.506 463 A N 0.189 122.984 122.820 -0.042 0.000 2.462 463 A HA 0.656 4.976 4.320 -0.000 0.000 0.243 463 A C 1.538 179.106 177.584 -0.026 0.000 1.076 463 A CA 1.288 53.307 52.037 -0.029 0.000 0.773 463 A CB 0.756 19.725 19.000 -0.052 0.000 1.010 463 A HN 1.496 nan 8.150 nan 0.000 0.493 464 G N 0.163 108.960 108.800 -0.005 0.000 3.044 464 G HA2 0.396 4.356 3.960 -0.000 0.000 0.223 464 G HA3 0.396 4.356 3.960 -0.000 0.000 0.223 464 G C 0.278 175.172 174.900 -0.011 0.000 1.123 464 G CA 0.571 45.668 45.100 -0.006 0.000 0.765 464 G HN 0.795 nan 8.290 nan 0.000 0.546 465 E N -0.206 119.988 120.200 -0.010 0.000 2.375 465 E HA 0.413 4.763 4.350 -0.000 0.000 0.280 465 E C -1.704 174.883 176.600 -0.021 0.000 0.972 465 E CA -0.775 55.619 56.400 -0.009 0.000 0.782 465 E CB 1.806 31.518 29.700 0.021 0.000 1.229 465 E HN -0.160 nan 8.360 nan 0.000 0.439 466 I N 3.902 124.453 120.570 -0.033 0.000 2.362 466 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 466 I C -0.482 175.611 176.117 -0.041 0.000 0.994 466 I CA -0.779 60.494 61.300 -0.045 0.000 1.158 466 I CB 1.099 39.058 38.000 -0.069 0.000 1.315 466 I HN 0.487 nan 8.210 nan 0.000 0.451 467 L N 8.335 129.538 121.223 -0.033 0.000 2.302 467 L HA 0.344 4.684 4.340 -0.000 0.000 0.285 467 L C -0.583 176.258 176.870 -0.048 0.000 1.090 467 L CA -0.333 54.487 54.840 -0.033 0.000 0.866 467 L CB 0.539 42.590 42.059 -0.013 0.000 1.244 467 L HN 0.448 nan 8.230 nan 0.000 0.435 468 L N 5.858 127.035 121.223 -0.078 0.000 2.356 468 L HA 0.410 4.750 4.340 -0.000 0.000 0.282 468 L C -0.245 176.577 176.870 -0.081 0.000 1.132 468 L CA 0.215 55.003 54.840 -0.087 0.000 0.923 468 L CB -0.410 41.574 42.059 -0.125 0.000 1.278 468 L HN 0.564 nan 8.230 nan 0.000 0.436 469 N N 3.620 122.296 118.700 -0.041 0.000 2.529 469 N HA 0.235 4.975 4.740 -0.000 0.000 0.278 469 N C -0.897 174.608 175.510 -0.007 0.000 1.146 469 N CA -0.270 52.770 53.050 -0.018 0.000 0.980 469 N CB 1.214 39.698 38.487 -0.004 0.000 1.124 469 N HN 0.508 nan 8.380 nan 0.000 0.458 470 C N 2.808 122.113 119.300 0.009 0.000 2.439 470 C HA 0.347 4.807 4.460 -0.000 0.000 0.298 470 C C 2.278 177.283 174.990 0.024 0.000 1.094 470 C CA -0.893 58.141 59.018 0.026 0.000 1.609 470 C CB -1.742 26.016 27.740 0.030 0.000 1.723 470 C HN 0.738 nan 8.230 nan 0.000 0.423 471 I N 1.107 121.694 120.570 0.028 0.000 2.093 471 I HA -0.288 3.881 4.170 -0.000 0.000 0.239 471 I C 1.904 178.023 176.117 0.002 0.000 1.026 471 I CA 1.747 63.055 61.300 0.014 0.000 1.295 471 I CB -0.287 37.722 38.000 0.016 0.000 1.007 471 I HN 0.528 nan 8.210 nan 0.000 0.401 472 D N 0.775 121.181 120.400 0.009 0.000 2.389 472 D HA -0.123 4.517 4.640 -0.000 0.000 0.221 472 D C 1.817 178.103 176.300 -0.024 0.000 0.974 472 D CA 0.951 54.946 54.000 -0.008 0.000 0.923 472 D CB -0.133 40.663 40.800 -0.006 0.000 0.892 472 D HN 0.383 nan 8.370 nan 0.000 0.518 473 K N 0.286 120.670 120.400 -0.026 0.000 2.360 473 K HA 0.035 4.354 4.320 -0.000 0.000 0.196 473 K C 0.372 176.926 176.600 -0.076 0.000 1.049 473 K CA -0.227 56.021 56.287 -0.065 0.000 1.049 473 K CB 0.393 32.847 32.500 -0.077 0.000 0.881 473 K HN 0.092 nan 8.250 nan 0.000 0.542 474 D N 1.178 121.551 120.400 -0.045 0.000 2.487 474 D HA -0.001 4.639 4.640 -0.000 0.000 0.243 474 D C 0.914 177.189 176.300 -0.043 0.000 1.154 474 D CA 1.475 55.452 54.000 -0.039 0.000 0.876 474 D CB 0.539 41.329 40.800 -0.017 0.000 1.161 474 D HN 0.467 nan 8.370 nan 0.000 0.478 475 G N 2.803 111.573 108.800 -0.049 0.000 2.184 475 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.264 475 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.264 475 G C 1.109 175.979 174.900 -0.050 0.000 0.975 475 G CA 1.061 46.137 45.100 -0.039 0.000 0.642 475 G HN 0.645 nan 8.290 nan 0.000 0.536 476 S N 0.195 115.848 115.700 -0.077 0.000 2.446 476 S HA 0.041 4.510 4.470 -0.000 0.000 0.225 476 S C 1.286 175.830 174.600 -0.093 0.000 1.016 476 S CA 1.016 59.166 58.200 -0.083 0.000 0.943 476 S CB -0.228 62.911 63.200 -0.103 0.000 0.786 476 S HN 0.924 nan 8.310 nan 0.000 0.508 477 N N 1.500 120.124 118.700 -0.125 0.000 2.721 477 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 477 N C 0.384 175.844 175.510 -0.084 0.000 1.072 477 N CA 1.078 54.071 53.050 -0.096 0.000 0.710 477 N CB -1.703 36.778 38.487 -0.011 0.000 0.993 477 N HN 0.834 nan 8.380 nan 0.000 0.547 478 S N -1.757 113.770 115.700 -0.289 0.000 2.629 478 S HA 0.494 4.964 4.470 -0.000 0.000 0.236 478 S C 0.841 175.024 174.600 -0.695 0.000 1.010 478 S CA 0.599 58.622 58.200 -0.294 0.000 0.981 478 S CB 1.484 64.585 63.200 -0.166 0.000 0.919 478 S HN 1.029 nan 8.310 nan 0.000 0.514 479 G N 0.507 108.558 108.800 -1.248 0.000 2.541 479 G HA2 0.023 3.983 3.960 -0.000 0.000 0.686 479 G HA3 0.023 3.983 3.960 -0.000 0.000 0.686 479 G C -1.024 173.458 174.900 -0.696 0.000 1.286 479 G CA -0.951 43.409 45.100 -1.233 0.000 0.894 479 G HN 0.250 nan 8.290 nan 0.000 0.575 480 Y N 0.095 120.176 120.300 -0.365 0.000 2.298 480 Y HA 0.486 5.035 4.550 -0.000 0.000 0.329 480 Y C 1.021 176.817 175.900 -0.173 0.000 1.293 480 Y CA -0.165 57.779 58.100 -0.259 0.000 1.388 480 Y CB 0.757 39.058 38.460 -0.266 0.000 1.309 480 Y HN 0.502 nan 8.280 nan 0.000 0.544 481 D N 1.824 122.261 120.400 0.062 0.000 2.402 481 D HA 0.084 4.723 4.640 -0.000 0.000 0.235 481 D C 0.760 177.073 176.300 0.021 0.000 1.226 481 D CA 0.290 54.313 54.000 0.038 0.000 0.918 481 D CB 0.254 41.084 40.800 0.050 0.000 1.043 481 D HN 0.585 nan 8.370 nan 0.000 0.506 482 L N 2.678 123.929 121.223 0.045 0.000 2.042 482 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 482 L C 2.116 178.987 176.870 0.002 0.000 1.076 482 L CA 1.079 55.935 54.840 0.027 0.000 0.749 482 L CB -0.278 41.818 42.059 0.061 0.000 0.893 482 L HN 0.418 nan 8.230 nan 0.000 0.432 483 E N 0.028 120.265 120.200 0.062 0.000 2.150 483 E HA -0.228 4.121 4.350 -0.000 0.000 0.193 483 E C 2.117 178.613 176.600 -0.173 0.000 0.985 483 E CA 0.849 57.243 56.400 -0.010 0.000 0.814 483 E CB -0.095 29.732 29.700 0.210 0.000 0.752 483 E HN 0.264 nan 8.360 nan 0.000 0.466 484 L N 1.184 122.319 121.223 -0.147 0.000 2.056 484 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 484 L C 1.993 178.725 176.870 -0.230 0.000 1.078 484 L CA 1.451 56.071 54.840 -0.367 0.000 0.749 484 L CB -0.271 41.476 42.059 -0.519 0.000 0.901 484 L HN 0.073 nan 8.230 nan 0.000 0.433 485 I N -0.483 119.983 120.570 -0.173 0.000 2.179 485 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 485 I C 2.406 178.447 176.117 -0.127 0.000 1.088 485 I CA 1.176 62.383 61.300 -0.156 0.000 1.357 485 I CB -0.454 37.451 38.000 -0.158 0.000 1.051 485 I HN 0.283 nan 8.210 nan 0.000 0.409 486 E N -0.137 119.991 120.200 -0.120 0.000 2.153 486 E HA -0.266 4.083 4.350 -0.000 0.000 0.194 486 E C 2.000 178.545 176.600 -0.092 0.000 0.988 486 E CA 1.267 57.607 56.400 -0.100 0.000 0.811 486 E CB -0.449 29.190 29.700 -0.102 0.000 0.746 486 E HN 0.553 nan 8.360 nan 0.000 0.466 487 H N 0.665 119.561 119.070 -0.290 0.000 2.326 487 H HA -0.040 4.516 4.556 -0.000 0.000 0.301 487 H C 1.978 177.305 175.328 -0.003 0.000 1.081 487 H CA 1.606 57.517 56.048 -0.229 0.000 1.334 487 H CB -0.148 29.362 29.762 -0.420 0.000 1.385 487 H HN -0.086 nan 8.280 nan 0.000 0.504 488 V N 0.888 120.709 119.914 -0.155 0.000 2.515 488 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 488 V C 2.363 178.340 176.094 -0.196 0.000 1.058 488 V CA 1.610 63.781 62.300 -0.214 0.000 1.064 488 V CB -0.339 31.389 31.823 -0.158 0.000 0.675 488 V HN 0.315 nan 8.190 nan 0.000 0.461 489 K N -0.018 120.303 120.400 -0.131 0.000 2.211 489 K HA -0.126 4.193 4.320 -0.000 0.000 0.203 489 K C 1.759 178.300 176.600 -0.099 0.000 1.050 489 K CA 1.101 57.327 56.287 -0.101 0.000 0.945 489 K CB -0.422 32.044 32.500 -0.058 0.000 0.732 489 K HN 0.450 nan 8.250 nan 0.000 0.451 490 D N 0.397 120.756 120.400 -0.069 0.000 2.183 490 D HA -0.038 4.602 4.640 -0.000 0.000 0.203 490 D C 1.709 177.895 176.300 -0.190 0.000 0.969 490 D CA 0.883 54.888 54.000 0.008 0.000 0.842 490 D CB 0.149 41.086 40.800 0.228 0.000 0.957 490 D HN 0.106 nan 8.370 nan 0.000 0.484 491 A N 0.689 123.220 122.820 -0.482 0.000 1.854 491 A HA 0.034 4.354 4.320 -0.000 0.000 0.214 491 A C 1.365 178.565 177.584 -0.640 0.000 1.192 491 A CA 1.368 52.767 52.037 -1.064 0.000 0.611 491 A CB -0.411 17.966 19.000 -1.037 0.000 0.832 491 A HN 0.150 nan 8.150 nan 0.000 0.442 492 V N -4.650 115.029 119.914 -0.391 0.000 3.166 492 V HA 0.565 4.685 4.120 -0.000 0.000 0.317 492 V C 0.290 176.273 176.094 -0.185 0.000 1.136 492 V CA -0.724 61.415 62.300 -0.269 0.000 1.035 492 V CB 1.598 33.283 31.823 -0.229 0.000 1.110 492 V HN 0.266 nan 8.190 nan 0.000 0.450 493 K N 0.641 120.948 120.400 -0.154 0.000 2.355 493 K HA 0.400 4.720 4.320 -0.000 0.000 0.198 493 K C 0.493 177.021 176.600 -0.120 0.000 1.039 493 K CA 0.153 56.361 56.287 -0.131 0.000 1.075 493 K CB 0.489 32.913 32.500 -0.126 0.000 0.870 493 K HN 0.815 nan 8.250 nan 0.000 0.540 494 I N 0.020 120.522 120.570 -0.112 0.000 2.764 494 I HA 0.301 4.471 4.170 -0.000 0.000 0.294 494 I C -2.589 173.487 176.117 -0.068 0.000 1.045 494 I CA -2.784 58.463 61.300 -0.088 0.000 1.340 494 I CB 0.142 38.094 38.000 -0.081 0.000 1.436 494 I HN -0.301 nan 8.210 nan 0.000 0.567 495 P HA 0.098 nan 4.420 nan 0.000 0.265 495 P C -0.818 176.472 177.300 -0.017 0.000 1.193 495 P CA -0.002 63.094 63.100 -0.006 0.000 0.765 495 P CB 0.712 32.425 31.700 0.021 0.000 0.823 496 V N 5.585 125.489 119.914 -0.017 0.000 2.409 496 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 496 V C 0.365 176.428 176.094 -0.051 0.000 1.020 496 V CA -0.504 61.767 62.300 -0.049 0.000 0.848 496 V CB 1.346 33.122 31.823 -0.079 0.000 0.990 496 V HN 0.383 nan 8.190 nan 0.000 0.430 497 I N 4.071 124.602 120.570 -0.065 0.000 2.331 497 I HA 0.563 4.733 4.170 -0.000 0.000 0.292 497 I C 0.712 176.707 176.117 -0.205 0.000 0.998 497 I CA -0.330 60.918 61.300 -0.087 0.000 1.267 497 I CB 1.564 39.545 38.000 -0.031 0.000 1.386 497 I HN 0.683 nan 8.210 nan 0.000 0.476 498 A N 5.247 127.840 122.820 -0.379 0.000 2.354 498 A HA 0.564 4.884 4.320 -0.000 0.000 0.281 498 A C -0.018 177.153 177.584 -0.689 0.000 1.174 498 A CA -0.057 51.554 52.037 -0.710 0.000 0.828 498 A CB 0.619 18.886 19.000 -1.223 0.000 1.099 498 A HN 0.655 nan 8.150 nan 0.000 0.516 499 S N 1.805 117.292 115.700 -0.354 0.000 2.599 499 S HA 0.758 5.228 4.470 -0.000 0.000 0.287 499 S C -0.539 174.142 174.600 0.135 0.000 1.105 499 S CA 0.281 58.464 58.200 -0.029 0.000 0.899 499 S CB 0.870 64.053 63.200 -0.029 0.000 1.100 499 S HN 1.929 nan 8.310 nan 0.000 0.482 500 S N 0.829 116.610 115.700 0.136 0.000 2.969 500 S HA 0.183 4.653 4.470 -0.000 0.000 0.856 500 S C 0.754 175.324 174.600 -0.050 0.000 0.942 500 S CA 0.592 58.812 58.200 0.033 0.000 1.387 500 S CB -1.502 61.708 63.200 0.016 0.000 0.992 500 S HN 2.366 nan 8.310 nan 0.000 0.268 501 G N 0.757 109.428 108.800 -0.216 0.000 2.278 501 G HA2 0.200 4.160 3.960 -0.000 0.000 0.210 501 G HA3 0.200 4.160 3.960 -0.000 0.000 0.210 501 G C 0.284 174.793 174.900 -0.653 0.000 1.000 501 G CA 0.345 45.208 45.100 -0.396 0.000 0.635 501 G HN 2.259 nan 8.290 nan 0.000 0.495 502 A N 0.853 123.194 122.820 -0.799 0.000 2.524 502 A HA 0.628 4.948 4.320 -0.000 0.000 0.250 502 A C 1.451 178.900 177.584 -0.225 0.000 1.078 502 A CA 1.584 53.194 52.037 -0.712 0.000 0.761 502 A CB 0.569 19.061 19.000 -0.847 0.000 1.012 502 A HN 1.665 nan 8.150 nan 0.000 0.500 503 G N 1.247 110.133 108.800 0.143 0.000 2.659 503 G HA2 0.413 4.373 3.960 -0.000 0.000 0.197 503 G HA3 0.413 4.373 3.960 -0.000 0.000 0.197 503 G C 0.343 175.158 174.900 -0.142 0.000 1.099 503 G CA 0.812 45.938 45.100 0.043 0.000 0.759 503 G HN 1.645 nan 8.290 nan 0.000 0.715 504 V N -3.272 116.408 119.914 -0.389 0.000 3.102 504 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 504 V C -2.259 173.399 176.094 -0.726 0.000 1.135 504 V CA -2.154 59.613 62.300 -0.888 0.000 1.022 504 V CB 1.869 33.209 31.823 -0.805 0.000 1.056 504 V HN -0.064 nan 8.190 nan 0.000 0.436 505 P HA -0.070 nan 4.420 nan 0.000 0.218 505 P C 1.208 178.219 177.300 -0.483 0.000 1.148 505 P CA 1.459 64.174 63.100 -0.642 0.000 0.822 505 P CB 0.227 31.414 31.700 -0.855 0.000 0.784 506 E N -1.556 118.202 120.200 -0.737 0.000 2.209 506 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 506 E C 1.788 178.316 176.600 -0.120 0.000 0.993 506 E CA 1.123 57.276 56.400 -0.411 0.000 0.819 506 E CB -0.894 28.564 29.700 -0.402 0.000 0.745 506 E HN 0.545 nan 8.360 nan 0.000 0.477 507 H N -1.616 117.374 119.070 -0.133 0.000 2.423 507 H HA -0.065 4.491 4.556 -0.000 0.000 0.297 507 H C 1.298 176.536 175.328 -0.151 0.000 1.075 507 H CA 0.795 56.714 56.048 -0.215 0.000 1.342 507 H CB 0.010 29.502 29.762 -0.450 0.000 1.395 507 H HN 0.143 nan 8.280 nan 0.000 0.530 508 F N 0.807 120.757 119.950 -0.001 0.000 2.163 508 F HA -0.096 4.430 4.527 -0.000 0.000 0.297 508 F C 2.576 178.418 175.800 0.069 0.000 1.094 508 F CA 0.968 58.978 58.000 0.017 0.000 1.290 508 F CB -0.234 38.845 39.000 0.132 0.000 1.017 508 F HN 0.166 nan 8.300 nan 0.000 0.483 509 E N 0.610 121.020 120.200 0.350 0.000 2.051 509 E HA -0.283 4.067 4.350 -0.000 0.000 0.192 509 E C 2.204 178.924 176.600 0.200 0.000 0.991 509 E CA 1.472 58.056 56.400 0.308 0.000 0.799 509 E CB -0.180 29.665 29.700 0.241 0.000 0.748 509 E HN 0.538 nan 8.360 nan 0.000 0.449 510 E N -0.140 120.136 120.200 0.127 0.000 2.085 510 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 510 E C 1.905 178.538 176.600 0.055 0.000 0.994 510 E CA 1.103 57.556 56.400 0.087 0.000 0.801 510 E CB -0.120 29.625 29.700 0.076 0.000 0.743 510 E HN 0.296 nan 8.360 nan 0.000 0.453 511 A N 0.204 123.021 122.820 -0.006 0.000 1.898 511 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 511 A C 1.813 179.327 177.584 -0.116 0.000 1.181 511 A CA 1.092 53.048 52.037 -0.135 0.000 0.620 511 A CB -0.693 18.105 19.000 -0.338 0.000 0.819 511 A HN 0.328 nan 8.150 nan 0.000 0.442 512 F N -0.335 119.660 119.950 0.074 0.000 2.325 512 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 512 F C 1.873 177.695 175.800 0.037 0.000 1.090 512 F CA 0.695 58.729 58.000 0.057 0.000 1.392 512 F CB -0.240 38.814 39.000 0.089 0.000 1.053 512 F HN 0.089 nan 8.300 nan 0.000 0.521 513 L N -1.203 120.145 121.223 0.209 0.000 2.470 513 L HA 0.065 4.405 4.340 -0.000 0.000 0.219 513 L C 1.799 178.719 176.870 0.082 0.000 1.071 513 L CA 0.546 55.463 54.840 0.129 0.000 0.850 513 L CB -0.148 41.983 42.059 0.121 0.000 1.040 513 L HN -0.072 nan 8.230 nan 0.000 0.475 514 K N -0.503 119.939 120.400 0.070 0.000 2.361 514 K HA 0.093 4.412 4.320 -0.000 0.000 0.194 514 K C 0.700 177.317 176.600 0.028 0.000 1.032 514 K CA 0.372 56.687 56.287 0.047 0.000 1.048 514 K CB 0.664 33.193 32.500 0.049 0.000 0.842 514 K HN 0.303 nan 8.250 nan 0.000 0.526 515 T N -2.485 112.083 114.554 0.022 0.000 2.864 515 T HA 0.358 4.708 4.350 -0.000 0.000 0.289 515 T C 0.180 174.890 174.700 0.017 0.000 1.082 515 T CA -0.960 61.139 62.100 -0.002 0.000 1.009 515 T CB 1.949 70.790 68.868 -0.045 0.000 1.234 515 T HN -0.100 nan 8.240 nan 0.000 0.526 516 R N 0.324 120.828 120.500 0.006 0.000 2.480 516 R HA 0.491 4.831 4.340 -0.000 0.000 0.277 516 R C 0.791 177.119 176.300 0.045 0.000 1.008 516 R CA -0.282 55.840 56.100 0.036 0.000 1.090 516 R CB -0.121 30.198 30.300 0.033 0.000 1.234 516 R HN 0.792 nan 8.270 nan 0.000 0.549 517 A N 1.130 123.954 122.820 0.006 0.000 2.567 517 A HA -0.067 4.252 4.320 -0.000 0.000 0.240 517 A C 0.412 178.068 177.584 0.120 0.000 1.053 517 A CA 0.236 52.257 52.037 -0.028 0.000 0.755 517 A CB 0.205 19.086 19.000 -0.197 0.000 0.978 517 A HN 0.285 nan 8.150 nan 0.000 0.507 518 D N 0.731 121.199 120.400 0.113 0.000 2.350 518 D HA 0.366 5.006 4.640 -0.000 0.000 0.213 518 D C 0.498 176.958 176.300 0.267 0.000 1.031 518 D CA 1.470 55.588 54.000 0.197 0.000 0.861 518 D CB 0.346 41.231 40.800 0.141 0.000 0.926 518 D HN 0.781 nan 8.370 nan 0.000 0.520 519 A N -0.384 122.581 122.820 0.242 0.000 2.567 519 A HA 0.491 4.811 4.320 -0.000 0.000 0.291 519 A C -1.676 175.945 177.584 0.061 0.000 1.048 519 A CA -0.622 51.597 52.037 0.303 0.000 0.661 519 A CB 1.111 20.244 19.000 0.221 0.000 1.288 519 A HN 0.151 nan 8.150 nan 0.000 0.424 520 C N 0.802 120.190 119.300 0.146 0.000 2.482 520 C HA 0.746 5.205 4.460 -0.000 0.000 0.317 520 C C -0.253 174.853 174.990 0.194 0.000 1.197 520 C CA -0.441 58.529 59.018 -0.081 0.000 1.432 520 C CB 0.677 28.268 27.740 -0.247 0.000 2.062 520 C HN 0.908 nan 8.230 nan 0.000 0.471 521 L N 3.247 124.522 121.223 0.086 0.000 2.325 521 L HA 0.916 5.256 4.340 -0.000 0.000 0.278 521 L C 0.132 177.143 176.870 0.236 0.000 1.023 521 L CA 0.228 55.190 54.840 0.203 0.000 0.811 521 L CB 1.480 43.598 42.059 0.099 0.000 1.249 521 L HN 0.826 nan 8.230 nan 0.000 0.431 522 G N 1.973 110.982 108.800 0.349 0.000 2.524 522 G HA2 0.699 4.659 3.960 -0.000 0.000 0.310 522 G HA3 0.699 4.659 3.960 -0.000 0.000 0.310 522 G C -0.680 174.277 174.900 0.095 0.000 1.279 522 G CA 0.125 45.274 45.100 0.082 0.000 0.974 522 G HN 0.954 nan 8.290 nan 0.000 0.484 523 A N 1.049 123.851 122.820 -0.031 0.000 1.795 523 A HA 0.666 4.986 4.320 -0.000 0.000 0.182 523 A C 2.222 179.874 177.584 0.112 0.000 2.073 523 A CA 1.330 53.416 52.037 0.082 0.000 1.402 523 A CB -0.722 18.316 19.000 0.065 0.000 0.977 523 A HN 1.421 nan 8.150 nan 0.000 0.648 524 G N 1.195 110.041 108.800 0.077 0.000 2.469 524 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.219 524 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.219 524 G C 1.681 176.638 174.900 0.096 0.000 1.150 524 G CA 1.979 47.153 45.100 0.123 0.000 0.763 524 G HN 0.755 nan 8.290 nan 0.000 0.561 525 M N -1.431 118.145 119.600 -0.041 0.000 2.202 525 M HA 0.118 4.598 4.480 -0.000 0.000 0.262 525 M C 2.111 178.462 176.300 0.085 0.000 1.063 525 M CA 1.547 56.826 55.300 -0.036 0.000 1.097 525 M CB -0.572 31.922 32.600 -0.176 0.000 1.382 525 M HN 0.058 nan 8.290 nan 0.000 0.413 526 F N 0.012 120.054 119.950 0.153 0.000 2.335 526 F HA 0.037 4.563 4.527 -0.000 0.000 0.296 526 F C 2.594 178.586 175.800 0.321 0.000 1.091 526 F CA 1.099 59.181 58.000 0.136 0.000 1.399 526 F CB -1.388 37.524 39.000 -0.147 0.000 1.067 526 F HN 0.300 nan 8.300 nan 0.000 0.520 527 H N 0.677 119.984 119.070 0.394 0.000 2.389 527 H HA 0.042 4.598 4.556 -0.000 0.000 0.299 527 H C 2.028 177.465 175.328 0.183 0.000 1.081 527 H CA 1.593 57.829 56.048 0.313 0.000 1.345 527 H CB 0.015 29.920 29.762 0.238 0.000 1.393 527 H HN 0.051 nan 8.280 nan 0.000 0.520 528 R N -0.863 119.676 120.500 0.065 0.000 2.276 528 R HA 0.077 4.416 4.340 -0.000 0.000 0.203 528 R C 1.174 177.471 176.300 -0.004 0.000 1.017 528 R CA 0.631 56.700 56.100 -0.050 0.000 1.010 528 R CB 0.298 30.590 30.300 -0.013 0.000 0.900 528 R HN 0.539 nan 8.270 nan 0.000 0.469 529 G N 1.198 110.048 108.800 0.084 0.000 2.159 529 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.256 529 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.256 529 G C 0.589 175.483 174.900 -0.010 0.000 0.977 529 G CA 0.591 45.729 45.100 0.063 0.000 0.652 529 G HN 0.443 nan 8.290 nan 0.000 0.531 530 E N -1.145 119.041 120.200 -0.023 0.000 2.077 530 E HA 0.109 4.458 4.350 -0.000 0.000 0.193 530 E C 0.448 176.725 176.600 -0.538 0.000 0.989 530 E CA 1.024 57.291 56.400 -0.221 0.000 0.800 530 E CB 0.056 29.732 29.700 -0.041 0.000 0.746 530 E HN 0.585 nan 8.360 nan 0.000 0.452 531 F N -0.632 119.360 119.950 0.070 0.000 2.613 531 F HA 0.249 4.776 4.527 -0.000 0.000 0.310 531 F C 0.226 176.164 175.800 0.230 0.000 1.085 531 F CA -1.118 56.941 58.000 0.100 0.000 0.945 531 F CB 1.965 40.999 39.000 0.055 0.000 1.298 531 F HN -0.258 nan 8.300 nan 0.000 0.455 532 T N -2.067 112.683 114.554 0.327 0.000 2.948 532 T HA 0.461 4.810 4.350 -0.000 0.000 0.285 532 T C 0.689 175.385 174.700 -0.007 0.000 1.019 532 T CA -0.701 61.481 62.100 0.137 0.000 1.013 532 T CB 1.484 70.373 68.868 0.035 0.000 1.117 532 T HN 0.301 nan 8.240 nan 0.000 0.533 533 V N 1.533 121.188 119.914 -0.432 0.000 2.407 533 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 533 V C 2.600 178.559 176.094 -0.225 0.000 1.055 533 V CA 1.723 63.699 62.300 -0.539 0.000 1.049 533 V CB -1.047 30.383 31.823 -0.655 0.000 0.662 533 V HN 0.785 nan 8.190 nan 0.000 0.455 534 N N 0.249 118.857 118.700 -0.155 0.000 2.289 534 N HA -0.142 4.597 4.740 -0.000 0.000 0.184 534 N C 1.522 177.018 175.510 -0.024 0.000 1.016 534 N CA 1.271 54.266 53.050 -0.091 0.000 0.872 534 N CB -0.352 38.088 38.487 -0.079 0.000 0.973 534 N HN 0.492 nan 8.380 nan 0.000 0.433 535 D N 0.001 120.420 120.400 0.032 0.000 2.117 535 D HA -0.061 4.579 4.640 -0.000 0.000 0.198 535 D C 1.996 178.338 176.300 0.071 0.000 0.982 535 D CA 0.588 54.657 54.000 0.115 0.000 0.828 535 D CB -0.103 40.862 40.800 0.275 0.000 0.967 535 D HN 0.023 nan 8.370 nan 0.000 0.464 536 V N 1.270 121.164 119.914 -0.034 0.000 2.358 536 V HA -0.214 3.905 4.120 -0.000 0.000 0.246 536 V C 2.381 178.450 176.094 -0.040 0.000 1.047 536 V CA 1.484 63.676 62.300 -0.179 0.000 1.035 536 V CB -0.303 31.216 31.823 -0.507 0.000 0.658 536 V HN 0.146 nan 8.190 nan 0.000 0.452 537 K N -0.390 119.977 120.400 -0.055 0.000 2.026 537 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 537 K C 2.234 178.842 176.600 0.012 0.000 1.048 537 K CA 1.381 57.648 56.287 -0.033 0.000 0.929 537 K CB -0.217 32.230 32.500 -0.087 0.000 0.713 537 K HN 0.393 nan 8.250 nan 0.000 0.439 538 E N 0.249 120.467 120.200 0.031 0.000 2.085 538 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 538 E C 1.887 178.546 176.600 0.098 0.000 0.994 538 E CA 1.245 57.674 56.400 0.049 0.000 0.801 538 E CB -0.373 29.363 29.700 0.059 0.000 0.743 538 E HN 0.381 nan 8.360 nan 0.000 0.453 539 Y N 1.308 121.626 120.300 0.030 0.000 2.145 539 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 539 Y C 2.281 178.266 175.900 0.142 0.000 1.145 539 Y CA 1.421 59.569 58.100 0.080 0.000 1.148 539 Y CB -0.290 38.165 38.460 -0.009 0.000 0.981 539 Y HN -0.068 nan 8.280 nan 0.000 0.507 540 L N -0.973 120.352 121.223 0.169 0.000 2.083 540 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 540 L C 2.331 179.224 176.870 0.038 0.000 1.083 540 L CA 0.670 55.574 54.840 0.106 0.000 0.752 540 L CB -0.703 41.431 42.059 0.126 0.000 0.899 540 L HN 0.281 nan 8.230 nan 0.000 0.433 541 L N 0.392 121.621 121.223 0.011 0.000 2.012 541 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 541 L C 2.550 179.395 176.870 -0.042 0.000 1.073 541 L CA 1.848 56.672 54.840 -0.026 0.000 0.748 541 L CB -0.745 41.296 42.059 -0.031 0.000 0.891 541 L HN 0.304 nan 8.230 nan 0.000 0.431 542 E N -1.551 118.619 120.200 -0.049 0.000 2.204 542 E HA -0.252 4.097 4.350 -0.000 0.000 0.195 542 E C 1.050 177.496 176.600 -0.257 0.000 0.990 542 E CA 1.109 57.428 56.400 -0.135 0.000 0.821 542 E CB -0.001 29.614 29.700 -0.142 0.000 0.750 542 E HN 0.635 nan 8.360 nan 0.000 0.477 543 H N -1.630 117.313 119.070 -0.212 0.000 2.538 543 H HA 0.269 4.824 4.556 -0.000 0.000 0.286 543 H C 0.873 176.143 175.328 -0.096 0.000 1.035 543 H CA 0.627 56.571 56.048 -0.173 0.000 1.169 543 H CB 0.930 30.559 29.762 -0.221 0.000 1.417 543 H HN 0.335 nan 8.280 nan 0.000 0.567 544 G N 0.114 108.897 108.800 -0.029 0.000 2.176 544 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.253 544 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.253 544 G C 0.145 175.027 174.900 -0.030 0.000 0.979 544 G CA 0.014 45.095 45.100 -0.032 0.000 0.641 544 G HN 0.300 nan 8.290 nan 0.000 0.530 545 L N 0.628 121.838 121.223 -0.022 0.000 2.375 545 L HA 0.470 4.810 4.340 -0.000 0.000 0.271 545 L C 0.448 177.264 176.870 -0.091 0.000 1.107 545 L CA -0.770 54.034 54.840 -0.061 0.000 0.806 545 L CB 0.802 42.823 42.059 -0.062 0.000 1.146 545 L HN -0.107 nan 8.230 nan 0.000 0.447 546 K N 3.052 123.378 120.400 -0.123 0.000 2.227 546 K HA 0.503 4.823 4.320 -0.000 0.000 0.280 546 K C -0.637 175.876 176.600 -0.146 0.000 1.041 546 K CA -0.327 55.886 56.287 -0.124 0.000 0.905 546 K CB 1.787 34.211 32.500 -0.127 0.000 1.068 546 K HN 0.451 nan 8.250 nan 0.000 0.470 547 V N -0.259 119.574 119.914 -0.135 0.000 3.007 547 V HA 0.525 4.645 4.120 -0.000 0.000 0.311 547 V C -0.150 175.837 176.094 -0.179 0.000 1.120 547 V CA -1.467 60.739 62.300 -0.156 0.000 0.980 547 V CB 2.056 33.796 31.823 -0.138 0.000 1.033 547 V HN 0.787 nan 8.190 nan 0.000 0.429 548 R N 3.489 123.830 120.500 -0.266 0.000 2.401 548 R HA 0.476 4.816 4.340 -0.000 0.000 0.299 548 R C -0.911 175.215 176.300 -0.290 0.000 1.064 548 R CA -0.184 55.703 56.100 -0.356 0.000 1.000 548 R CB 0.589 30.442 30.300 -0.746 0.000 0.973 548 R HN 0.777 nan 8.270 nan 0.000 0.438 549 M N 4.541 124.008 119.600 -0.221 0.000 1.980 549 M HA 0.237 4.717 4.480 -0.000 0.000 0.282 549 M C -1.540 174.673 176.300 -0.145 0.000 0.878 549 M CA -0.840 54.360 55.300 -0.166 0.000 0.900 549 M CB 0.872 33.404 32.600 -0.112 0.000 1.577 549 M HN 0.614 nan 8.290 nan 0.000 0.396 550 D N 1.542 121.842 120.400 -0.168 0.000 2.934 550 D HA 0.563 5.203 4.640 -0.000 0.000 0.230 550 D C -1.467 174.761 176.300 -0.121 0.000 1.204 550 D CA -0.009 53.918 54.000 -0.120 0.000 0.873 550 D CB 2.312 43.033 40.800 -0.130 0.000 1.645 550 D HN 0.539 nan 8.370 nan 0.000 0.502 551 E N 1.721 121.880 120.200 -0.069 0.000 2.390 551 E HA 0.326 4.676 4.350 -0.000 0.000 0.277 551 E C -0.896 175.701 176.600 -0.004 0.000 0.939 551 E CA -0.616 55.739 56.400 -0.075 0.000 0.769 551 E CB 1.738 31.396 29.700 -0.070 0.000 1.251 551 E HN 0.460 nan 8.360 nan 0.000 0.450 552 E N 0.000 120.208 120.200 0.013 0.000 2.725 552 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 552 E CA 0.000 56.455 56.400 0.091 0.000 0.976 552 E CB 0.000 29.806 29.700 0.177 0.000 0.812 552 E HN 0.000 nan 8.360 nan 0.000 0.440