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 2pm8_1_B DATA FIRST_RESID 4 DATA SEQUENCE IIIATKNGKV RGMQLTVFGG TVTAFLGIPY AQPPLGRLRF KKPQSLTKWS DATA SEQUENCE DIWNATKYAN ScCQNIDQSF PGFHGSEMWN PNTDLSEDcL YLNVWIPAPK DATA SEQUENCE PKNATVLIWI YGGGFQTGTS SLHVYDGKFL ARVERVIVVS MNYRVGALGF DATA SEQUENCE LALPGNPEAP GNMGLFDQQL ALQWVQKNIA AFGGNPKSVT LFGESAGAAS DATA SEQUENCE VSLHLLSPGS HSLFTRAILQ SGSFNAPWAV TSLYEARNRT LNLAKLTGcS DATA SEQUENCE RENETEIIKc LRNKDPQEIL LNEAFVVPYG TPLSVNFGPT VDGDFLTDMP DATA SEQUENCE DILLELGQFK KTQILVGVNK DEGTAFLVYG APGFSKDNNS IITRKEFQEG DATA SEQUENCE LKIFFPGVSE FGKESILFHY TDWVDDQRPE NYREALGDVV GDYNFIcPAL DATA SEQUENCE EFTKKFSEWG NNAFFYYFEH RSSKLPWPEW MGVMHGYEIE FVFGLPLERR DATA SEQUENCE DXYTKAEEIL SRSIVKRWAN FAKYGNPQET QNQSTSWPVF KSTEQKYLTL DATA SEQUENCE NTESTRIMTK LRAQQcRFWT SFFPKVLEMT G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.148 176.117 0.052 0.000 1.063 4 I CA 0.000 61.303 61.300 0.005 0.000 1.566 4 I CB 0.000 37.960 38.000 -0.067 0.000 1.214 5 I N 5.405 126.028 120.570 0.089 0.000 2.465 5 I HA 0.619 4.789 4.170 0.000 0.000 0.291 5 I C -0.239 175.937 176.117 0.099 0.000 1.014 5 I CA -0.656 60.721 61.300 0.129 0.000 1.093 5 I CB 2.456 40.513 38.000 0.094 0.000 1.267 5 I HN 0.179 nan 8.210 nan 0.000 0.431 6 I N 3.812 124.446 120.570 0.108 0.000 2.785 6 I HA 0.637 4.808 4.170 0.000 0.000 0.302 6 I C -0.002 176.108 176.117 -0.012 0.000 1.069 6 I CA -0.987 60.262 61.300 -0.085 0.000 1.045 6 I CB 1.868 39.566 38.000 -0.503 0.000 1.236 6 I HN 0.556 nan 8.210 nan 0.000 0.429 7 A N 2.999 125.782 122.820 -0.061 0.000 2.260 7 A HA 0.623 4.944 4.320 0.000 0.000 0.314 7 A C 0.385 177.934 177.584 -0.059 0.000 1.257 7 A CA -0.391 51.627 52.037 -0.031 0.000 0.871 7 A CB 0.307 19.280 19.000 -0.044 0.000 1.166 7 A HN 0.848 nan 8.150 nan 0.000 0.522 8 T N 0.010 114.557 114.554 -0.013 0.000 2.847 8 T HA 0.310 4.660 4.350 0.000 0.000 0.279 8 T C 0.713 175.324 174.700 -0.149 0.000 0.984 8 T CA -0.380 61.690 62.100 -0.050 0.000 0.988 8 T CB 0.676 69.603 68.868 0.099 0.000 1.040 8 T HN 0.536 nan 8.240 nan 0.000 0.528 9 K N 0.343 120.635 120.400 -0.180 0.000 2.555 9 K HA 0.070 4.390 4.320 0.000 0.000 0.193 9 K C 0.635 177.107 176.600 -0.213 0.000 1.032 9 K CA 0.612 56.794 56.287 -0.175 0.000 1.004 9 K CB -0.186 32.220 32.500 -0.157 0.000 0.804 9 K HN 0.560 nan 8.250 nan 0.000 0.496 10 N N -0.283 118.231 118.700 -0.310 0.000 2.235 10 N HA 0.137 4.878 4.740 0.000 0.000 0.231 10 N C -0.551 174.273 175.510 -1.144 0.000 1.177 10 N CA -0.054 52.667 53.050 -0.549 0.000 0.874 10 N CB 1.874 40.094 38.487 -0.444 0.000 1.097 10 N HN 0.173 nan 8.380 nan 0.000 0.518 11 G N 0.392 108.740 108.800 -0.754 0.000 2.381 11 G HA2 -0.122 3.838 3.960 0.000 0.000 0.672 11 G HA3 -0.122 3.838 3.960 0.000 0.000 0.672 11 G C -1.351 173.412 174.900 -0.229 0.000 1.324 11 G CA -1.119 43.538 45.100 -0.737 0.000 0.975 11 G HN 0.046 nan 8.290 nan 0.000 0.593 12 K N -0.499 119.941 120.400 0.068 0.000 2.326 12 K HA 0.507 4.827 4.320 0.000 0.000 0.275 12 K C 0.579 177.528 176.600 0.581 0.000 1.018 12 K CA 0.040 56.496 56.287 0.281 0.000 0.962 12 K CB 1.339 33.972 32.500 0.222 0.000 0.953 12 K HN 1.153 nan 8.250 nan 0.000 0.475 13 V N -0.326 119.883 119.914 0.492 0.000 2.962 13 V HA 0.553 4.673 4.120 0.000 0.000 0.313 13 V C -0.765 175.597 176.094 0.447 0.000 1.099 13 V CA -1.248 61.399 62.300 0.579 0.000 0.971 13 V CB 1.838 34.060 31.823 0.666 0.000 1.028 13 V HN 0.795 nan 8.190 nan 0.000 0.430 14 R N 1.666 122.368 120.500 0.337 0.000 2.295 14 R HA 0.708 5.048 4.340 0.000 0.000 0.324 14 R C 0.304 176.526 176.300 -0.129 0.000 0.968 14 R CA 0.132 56.303 56.100 0.119 0.000 0.837 14 R CB 1.384 31.717 30.300 0.054 0.000 1.133 14 R HN 1.198 nan 8.270 nan 0.000 0.450 15 G N 2.928 111.415 108.800 -0.521 0.000 2.531 15 G HA2 0.575 4.536 3.960 0.000 0.000 0.281 15 G HA3 0.575 4.536 3.960 0.000 0.000 0.281 15 G C -0.688 173.892 174.900 -0.535 0.000 1.382 15 G CA -0.795 43.586 45.100 -1.199 0.000 1.045 15 G HN 0.632 nan 8.290 nan 0.000 0.533 16 M N -1.559 117.767 119.600 -0.457 0.000 2.333 16 M HA 0.419 4.899 4.480 0.000 0.000 0.286 16 M C -1.282 174.932 176.300 -0.143 0.000 1.113 16 M CA -0.686 54.478 55.300 -0.228 0.000 0.959 16 M CB 1.749 34.234 32.600 -0.192 0.000 1.776 16 M HN 0.352 nan 8.290 nan 0.000 0.492 17 Q N 3.188 122.940 119.800 -0.079 0.000 2.327 17 Q HA 0.749 5.089 4.340 0.000 0.000 0.254 17 Q C -1.119 174.864 176.000 -0.028 0.000 0.952 17 Q CA -0.210 55.577 55.803 -0.028 0.000 0.884 17 Q CB 1.285 30.018 28.738 -0.008 0.000 1.224 17 Q HN 0.670 nan 8.270 nan 0.000 0.422 18 L N 0.965 122.184 121.223 -0.007 0.000 2.341 18 L HA 0.550 4.891 4.340 0.000 0.000 0.267 18 L C -0.378 176.482 176.870 -0.017 0.000 1.009 18 L CA -1.122 53.705 54.840 -0.021 0.000 0.819 18 L CB 2.029 44.074 42.059 -0.023 0.000 1.323 18 L HN 0.568 nan 8.230 nan 0.000 0.425 19 T N 0.964 115.499 114.554 -0.033 0.000 2.762 19 T HA 0.497 4.848 4.350 0.000 0.000 0.303 19 T C -0.138 174.520 174.700 -0.070 0.000 0.977 19 T CA -0.495 61.589 62.100 -0.026 0.000 0.961 19 T CB 0.895 69.754 68.868 -0.015 0.000 0.944 19 T HN 0.237 nan 8.240 nan 0.000 0.481 20 V N 4.137 124.010 119.914 -0.069 0.000 2.487 20 V HA 0.401 4.522 4.120 0.000 0.000 0.298 20 V C -0.056 176.015 176.094 -0.040 0.000 1.028 20 V CA -1.255 60.935 62.300 -0.183 0.000 0.860 20 V CB 0.524 32.220 31.823 -0.211 0.000 0.991 20 V HN 1.001 nan 8.190 nan 0.000 0.427 21 F N 3.411 123.426 119.950 0.109 0.000 2.446 21 F HA -0.214 4.313 4.527 0.001 0.000 0.184 21 F C 1.668 177.505 175.800 0.061 0.000 1.033 21 F CA 0.873 58.926 58.000 0.088 0.000 0.845 21 F CB -1.020 38.038 39.000 0.096 0.000 0.779 21 F HN 1.011 nan 8.300 nan 0.000 0.829 22 G N 0.629 109.537 108.800 0.180 0.000 2.361 22 G HA2 0.022 3.982 3.960 0.000 0.000 0.294 22 G HA3 0.022 3.982 3.960 0.000 0.000 0.294 22 G C 0.566 175.529 174.900 0.104 0.000 1.004 22 G CA 0.448 45.620 45.100 0.119 0.000 0.870 22 G HN 1.497 nan 8.290 nan 0.000 0.510 23 G N -2.427 106.434 108.800 0.102 0.000 2.827 23 G HA2 0.818 4.778 3.960 0.000 0.000 0.296 23 G HA3 0.818 4.778 3.960 0.000 0.000 0.296 23 G C -0.831 174.109 174.900 0.067 0.000 1.362 23 G CA 0.326 45.480 45.100 0.091 0.000 0.809 23 G HN 0.714 nan 8.290 nan 0.000 0.522 24 T N -0.286 114.311 114.554 0.072 0.000 2.841 24 T HA 0.653 5.003 4.350 0.000 0.000 0.283 24 T C -0.905 173.847 174.700 0.087 0.000 1.000 24 T CA -0.368 61.770 62.100 0.064 0.000 0.977 24 T CB 1.905 70.810 68.868 0.061 0.000 0.979 24 T HN 0.465 nan 8.240 nan 0.000 0.446 25 V N 2.473 122.439 119.914 0.088 0.000 2.709 25 V HA 0.513 4.633 4.120 0.000 0.000 0.308 25 V C -0.063 176.120 176.094 0.148 0.000 1.062 25 V CA -0.894 61.489 62.300 0.139 0.000 0.901 25 V CB 2.437 34.349 31.823 0.148 0.000 1.003 25 V HN 1.029 nan 8.190 nan 0.000 0.425 26 T N 3.641 118.317 114.554 0.203 0.000 2.806 26 T HA 0.705 5.056 4.350 0.000 0.000 0.290 26 T C -0.012 174.838 174.700 0.251 0.000 0.966 26 T CA -0.249 61.970 62.100 0.198 0.000 1.060 26 T CB 1.436 70.482 68.868 0.296 0.000 0.927 26 T HN 0.959 nan 8.240 nan 0.000 0.485 27 A N 2.893 125.743 122.820 0.051 0.000 2.318 27 A HA 0.753 5.074 4.320 0.000 0.000 0.317 27 A C -1.037 176.432 177.584 -0.191 0.000 1.159 27 A CA -0.726 51.268 52.037 -0.071 0.000 0.799 27 A CB 0.421 19.328 19.000 -0.154 0.000 1.194 27 A HN 0.715 nan 8.150 nan 0.000 0.479 28 F N 3.435 123.263 119.950 -0.203 0.000 2.359 28 F HA 0.374 4.901 4.527 0.000 0.000 0.370 28 F C 0.011 175.663 175.800 -0.247 0.000 1.077 28 F CA -0.654 57.287 58.000 -0.099 0.000 1.136 28 F CB 0.940 40.002 39.000 0.103 0.000 1.387 28 F HN 0.369 nan 8.300 nan 0.000 0.468 29 L N 2.133 123.265 121.223 -0.151 0.000 2.350 29 L HA 0.533 4.873 4.340 0.000 0.000 0.275 29 L C 1.103 177.964 176.870 -0.016 0.000 1.099 29 L CA -0.700 54.010 54.840 -0.217 0.000 0.808 29 L CB 0.886 42.687 42.059 -0.430 0.000 1.149 29 L HN 0.841 nan 8.230 nan 0.000 0.442 30 G N 3.607 112.431 108.800 0.039 0.000 2.333 30 G HA2 -0.259 3.701 3.960 0.000 0.000 0.296 30 G HA3 -0.259 3.701 3.960 0.000 0.000 0.296 30 G C -0.159 174.858 174.900 0.196 0.000 1.059 30 G CA -0.258 44.908 45.100 0.110 0.000 1.050 30 G HN 0.510 nan 8.290 nan 0.000 0.508 31 I N 1.765 122.395 120.570 0.099 0.000 2.395 31 I HA 0.239 4.409 4.170 0.000 0.000 0.289 31 I C -1.459 174.627 176.117 -0.052 0.000 1.023 31 I CA -2.307 58.943 61.300 -0.084 0.000 1.350 31 I CB 1.284 39.205 38.000 -0.132 0.000 1.409 31 I HN 0.019 nan 8.210 nan 0.000 0.507 32 P HA 0.007 nan 4.420 nan 0.000 0.276 32 P C -0.701 176.442 177.300 -0.262 0.000 1.243 32 P CA 0.203 63.020 63.100 -0.472 0.000 0.768 32 P CB 0.280 31.575 31.700 -0.675 0.000 0.856 33 Y N 1.986 122.077 120.300 -0.348 0.000 2.500 33 Y HA 0.732 5.282 4.550 0.000 0.000 0.246 33 Y C -0.038 175.826 175.900 -0.059 0.000 1.146 33 Y CA -0.763 57.223 58.100 -0.190 0.000 1.230 33 Y CB 0.301 38.569 38.460 -0.321 0.000 1.214 33 Y HN 0.451 nan 8.280 nan 0.000 0.526 34 A N 0.602 123.123 122.820 -0.498 0.000 2.604 34 A HA 0.380 4.700 4.320 0.000 0.000 0.295 34 A C -1.387 176.006 177.584 -0.317 0.000 1.067 34 A CA -0.954 50.874 52.037 -0.348 0.000 0.683 34 A CB 1.016 19.760 19.000 -0.427 0.000 1.281 34 A HN 0.252 nan 8.150 nan 0.000 0.407 35 Q N 1.114 120.817 119.800 -0.162 0.000 2.263 35 Q HA 0.223 4.563 4.340 0.000 0.000 0.289 35 Q C -2.153 173.753 176.000 -0.157 0.000 1.061 35 Q CA -1.200 54.533 55.803 -0.117 0.000 0.927 35 Q CB 0.172 28.878 28.738 -0.052 0.000 1.154 35 Q HN 0.375 nan 8.270 nan 0.000 0.378 36 P HA -0.025 nan 4.420 nan 0.000 0.258 36 P C -2.431 174.813 177.300 -0.092 0.000 1.187 36 P CA -0.697 62.329 63.100 -0.122 0.000 0.767 36 P CB 0.170 31.844 31.700 -0.044 0.000 0.770 37 P HA 0.132 nan 4.420 nan 0.000 0.231 37 P C -0.722 176.520 177.300 -0.097 0.000 1.811 37 P CA 0.367 63.406 63.100 -0.101 0.000 1.051 37 P CB 0.119 31.748 31.700 -0.118 0.000 1.951 38 L N 0.283 121.464 121.223 -0.070 0.000 2.322 38 L HA 0.611 4.951 4.340 0.000 0.000 0.269 38 L C 1.732 178.573 176.870 -0.048 0.000 1.012 38 L CA -0.504 54.300 54.840 -0.061 0.000 0.815 38 L CB 1.138 43.174 42.059 -0.037 0.000 1.295 38 L HN 0.333 nan 8.230 nan 0.000 0.438 39 G N 1.535 110.308 108.800 -0.045 0.000 2.879 39 G HA2 -0.402 3.558 3.960 0.000 0.000 0.353 39 G HA3 -0.402 3.558 3.960 0.000 0.000 0.353 39 G C 1.176 176.066 174.900 -0.016 0.000 1.182 39 G CA 1.018 46.104 45.100 -0.025 0.000 0.957 39 G HN 0.798 nan 8.290 nan 0.000 0.587 40 R N 0.752 121.248 120.500 -0.008 0.000 2.148 40 R HA 0.243 4.584 4.340 0.000 0.000 0.223 40 R C 2.697 178.997 176.300 0.000 0.000 1.088 40 R CA 1.395 57.497 56.100 0.004 0.000 0.985 40 R CB -0.398 29.905 30.300 0.005 0.000 0.880 40 R HN 0.514 nan 8.270 nan 0.000 0.451 41 L N 1.157 122.367 121.223 -0.022 0.000 2.492 41 L HA 0.092 4.432 4.340 0.000 0.000 0.223 41 L C 1.525 178.362 176.870 -0.055 0.000 1.132 41 L CA -0.028 54.792 54.840 -0.033 0.000 0.850 41 L CB -0.181 41.851 42.059 -0.044 0.000 0.966 41 L HN 0.127 nan 8.230 nan 0.000 0.454 42 R N -0.020 120.427 120.500 -0.089 0.000 2.756 42 R HA -0.115 4.226 4.340 0.000 0.000 0.264 42 R C 0.420 176.658 176.300 -0.105 0.000 1.026 42 R CA 0.220 56.188 56.100 -0.221 0.000 1.121 42 R CB 0.289 30.378 30.300 -0.352 0.000 0.999 42 R HN 0.054 nan 8.270 nan 0.000 0.449 43 F N -0.901 119.019 119.950 -0.051 0.000 2.658 43 F HA -0.380 4.147 4.527 0.000 0.000 0.528 43 F C 0.680 176.452 175.800 -0.047 0.000 0.527 43 F CA 1.758 59.727 58.000 -0.052 0.000 0.927 43 F CB -1.368 37.607 39.000 -0.041 0.000 1.675 43 F HN 0.606 nan 8.300 nan 0.000 0.263 44 K N 0.911 121.366 120.400 0.091 0.000 2.136 44 K HA 0.316 4.637 4.320 0.000 0.000 0.237 44 K C 0.603 177.191 176.600 -0.019 0.000 1.048 44 K CA -0.472 55.833 56.287 0.029 0.000 0.880 44 K CB 0.371 32.874 32.500 0.005 0.000 1.105 44 K HN 0.018 nan 8.250 nan 0.000 0.507 45 K N 1.605 121.963 120.400 -0.069 0.000 2.138 45 K HA 0.154 4.474 4.320 0.000 0.000 0.251 45 K C -2.253 174.298 176.600 -0.082 0.000 1.015 45 K CA -1.521 54.692 56.287 -0.124 0.000 0.917 45 K CB 0.280 32.594 32.500 -0.310 0.000 1.021 45 K HN 0.392 nan 8.250 nan 0.000 0.485 46 P HA 0.038 nan 4.420 nan 0.000 0.275 46 P C -1.120 176.161 177.300 -0.032 0.000 1.227 46 P CA -0.127 62.955 63.100 -0.030 0.000 0.781 46 P CB 0.949 32.672 31.700 0.038 0.000 0.906 47 Q N 0.810 120.585 119.800 -0.043 0.000 2.241 47 Q HA 0.393 4.734 4.340 0.000 0.000 0.262 47 Q C 0.475 176.469 176.000 -0.009 0.000 1.014 47 Q CA -0.643 55.145 55.803 -0.024 0.000 0.885 47 Q CB 1.447 30.168 28.738 -0.028 0.000 1.311 47 Q HN 0.571 nan 8.270 nan 0.000 0.461 48 S N 0.425 116.136 115.700 0.019 0.000 2.645 48 S HA 0.512 4.982 4.470 0.000 0.000 0.266 48 S C 0.286 174.913 174.600 0.045 0.000 1.258 48 S CA -0.772 57.455 58.200 0.046 0.000 0.990 48 S CB 0.480 63.717 63.200 0.061 0.000 0.967 48 S HN 0.389 nan 8.310 nan 0.000 0.556 49 L N 1.417 122.688 121.223 0.080 0.000 2.439 49 L HA 0.442 4.783 4.340 0.000 0.000 0.259 49 L C 0.731 177.665 176.870 0.107 0.000 1.129 49 L CA -0.281 54.630 54.840 0.119 0.000 0.803 49 L CB 0.031 42.229 42.059 0.232 0.000 1.161 49 L HN 0.807 nan 8.230 nan 0.000 0.462 50 T N 0.913 115.548 114.554 0.134 0.000 2.909 50 T HA 0.312 4.662 4.350 0.000 0.000 0.286 50 T C 0.477 175.268 174.700 0.153 0.000 1.002 50 T CA -0.983 61.184 62.100 0.112 0.000 1.074 50 T CB 1.308 70.241 68.868 0.108 0.000 0.984 50 T HN 0.443 nan 8.240 nan 0.000 0.495 51 K N 0.807 121.221 120.400 0.023 0.000 2.285 51 K HA 0.064 4.385 4.320 0.000 0.000 0.255 51 K C -0.674 175.995 176.600 0.115 0.000 1.000 51 K CA -0.355 55.854 56.287 -0.130 0.000 0.887 51 K CB 0.180 32.563 32.500 -0.195 0.000 0.997 51 K HN 0.888 nan 8.250 nan 0.000 0.510 52 W N -1.503 119.857 121.300 0.100 0.000 2.839 52 W HA 0.468 5.128 4.660 0.000 0.000 0.334 52 W C 0.138 176.718 176.519 0.102 0.000 1.064 52 W CA -0.893 56.522 57.345 0.117 0.000 1.236 52 W CB 0.744 30.312 29.460 0.180 0.000 1.405 52 W HN 0.465 nan 8.180 nan 0.000 0.478 53 S N 0.775 116.624 115.700 0.248 0.000 2.442 53 S HA -0.183 4.287 4.470 0.000 0.000 0.236 53 S C 0.531 175.263 174.600 0.220 0.000 1.007 53 S CA 1.007 59.303 58.200 0.159 0.000 0.965 53 S CB -0.402 62.871 63.200 0.121 0.000 0.773 53 S HN 0.600 nan 8.310 nan 0.000 0.504 54 D N 0.411 121.026 120.400 0.359 0.000 2.393 54 D HA 0.308 4.948 4.640 0.000 0.000 0.246 54 D C -0.040 176.530 176.300 0.450 0.000 1.275 54 D CA -0.167 54.038 54.000 0.341 0.000 0.979 54 D CB 0.405 41.375 40.800 0.282 0.000 1.101 54 D HN 0.051 nan 8.370 nan 0.000 0.505 55 I N 0.881 121.639 120.570 0.312 0.000 2.392 55 I HA 0.160 4.331 4.170 0.000 0.000 0.295 55 I C -0.278 176.016 176.117 0.295 0.000 0.985 55 I CA -0.831 60.671 61.300 0.337 0.000 1.221 55 I CB 1.509 39.624 38.000 0.193 0.000 1.366 55 I HN 0.236 nan 8.210 nan 0.000 0.467 56 W N 6.551 127.962 121.300 0.185 0.000 2.361 56 W HA 0.308 4.968 4.660 0.000 0.000 0.309 56 W C -0.654 175.876 176.519 0.019 0.000 1.122 56 W CA -0.689 56.634 57.345 -0.036 0.000 1.208 56 W CB 1.044 30.392 29.460 -0.187 0.000 1.246 56 W HN 0.436 nan 8.180 nan 0.000 0.490 57 N N 4.431 122.911 118.700 -0.367 0.000 2.400 57 N HA 0.193 4.933 4.740 0.000 0.000 0.267 57 N C -0.019 175.443 175.510 -0.080 0.000 1.208 57 N CA 0.282 53.196 53.050 -0.227 0.000 0.951 57 N CB 1.102 39.400 38.487 -0.314 0.000 1.227 57 N HN 0.390 nan 8.380 nan 0.000 0.488 58 A N 1.900 124.849 122.820 0.214 0.000 3.249 58 A HA 0.293 4.613 4.320 0.000 0.000 0.297 58 A C 0.735 178.336 177.584 0.028 0.000 1.302 58 A CA -0.517 51.700 52.037 0.301 0.000 1.074 58 A CB -0.426 18.850 19.000 0.459 0.000 1.132 58 A HN 0.519 nan 8.150 nan 0.000 0.575 59 T N -3.596 110.924 114.554 -0.056 0.000 3.262 59 T HA 0.394 4.745 4.350 0.000 0.000 0.300 59 T C 0.051 174.653 174.700 -0.164 0.000 0.959 59 T CA -0.131 61.885 62.100 -0.140 0.000 0.936 59 T CB -0.014 68.772 68.868 -0.135 0.000 1.169 59 T HN 0.326 nan 8.240 nan 0.000 0.532 60 K N 0.392 120.701 120.400 -0.152 0.000 2.482 60 K HA 0.604 4.925 4.320 0.000 0.000 0.257 60 K C -1.413 175.098 176.600 -0.148 0.000 0.969 60 K CA -0.905 55.290 56.287 -0.153 0.000 0.842 60 K CB 1.911 34.350 32.500 -0.102 0.000 1.359 60 K HN -0.001 nan 8.250 nan 0.000 0.441 61 Y N 0.822 121.097 120.300 -0.043 0.000 2.511 61 Y HA 0.203 4.753 4.550 0.000 0.000 0.347 61 Y C 0.822 176.675 175.900 -0.077 0.000 1.257 61 Y CA 0.326 58.407 58.100 -0.032 0.000 1.469 61 Y CB 0.593 39.052 38.460 -0.001 0.000 1.353 61 Y HN 0.651 nan 8.280 nan 0.000 0.617 62 A N 1.580 124.457 122.820 0.096 0.000 2.580 62 A HA 0.449 4.769 4.320 0.000 0.000 0.275 62 A C -0.346 177.228 177.584 -0.017 0.000 1.321 62 A CA -1.000 50.973 52.037 -0.107 0.000 0.924 62 A CB 0.201 18.922 19.000 -0.466 0.000 1.512 62 A HN 0.745 nan 8.150 nan 0.000 0.492 63 N N 1.085 119.765 118.700 -0.034 0.000 2.497 63 N HA 0.226 4.967 4.740 0.000 0.000 0.268 63 N C -0.368 175.180 175.510 0.064 0.000 1.171 63 N CA 0.254 53.320 53.050 0.026 0.000 0.948 63 N CB 0.624 39.138 38.487 0.045 0.000 1.069 63 N HN 0.476 nan 8.380 nan 0.000 0.460 64 S N 1.002 116.713 115.700 0.018 0.000 2.584 64 S HA 0.235 4.705 4.470 0.000 0.000 0.273 64 S C 0.504 175.110 174.600 0.009 0.000 1.311 64 S CA -0.816 57.383 58.200 -0.001 0.000 1.034 64 S CB 0.602 63.763 63.200 -0.065 0.000 0.939 64 S HN 0.487 nan 8.310 nan 0.000 0.513 65 c N 1.737 120.343 118.600 0.011 0.000 2.689 65 c HA 0.149 4.720 4.570 0.000 0.000 0.409 65 c C 1.350 175.438 174.090 -0.004 0.000 1.293 65 c CA -1.036 55.299 56.329 0.009 0.000 2.136 65 c CB -0.847 41.669 42.510 0.011 0.000 2.719 65 c HN 0.843 nan 8.230 nan 0.000 0.644 66 C N 3.833 123.128 119.300 -0.008 0.000 2.590 66 C HA 0.332 4.792 4.460 0.000 0.000 0.411 66 C C 0.481 175.476 174.990 0.009 0.000 1.420 66 C CA 0.492 59.506 59.018 -0.006 0.000 1.643 66 C CB -1.856 25.872 27.740 -0.020 0.000 2.528 66 C HN 0.956 nan 8.230 nan 0.000 0.606 67 Q N 3.582 123.392 119.800 0.016 0.000 2.522 67 Q HA 0.362 4.702 4.340 0.000 0.000 0.285 67 Q C -1.358 174.664 176.000 0.036 0.000 0.982 67 Q CA -0.859 54.964 55.803 0.034 0.000 0.805 67 Q CB 0.900 29.655 28.738 0.029 0.000 1.457 67 Q HN 0.632 nan 8.270 nan 0.000 0.394 68 N N 0.671 119.400 118.700 0.048 0.000 2.444 68 N HA 0.362 5.103 4.740 0.000 0.000 0.255 68 N C -0.528 175.011 175.510 0.048 0.000 1.255 68 N CA 0.220 53.298 53.050 0.047 0.000 0.933 68 N CB 0.380 38.895 38.487 0.047 0.000 1.143 68 N HN 0.455 nan 8.380 nan 0.000 0.453 69 I N -0.683 119.920 120.570 0.054 0.000 2.509 69 I HA 0.204 4.374 4.170 0.000 0.000 0.293 69 I C 0.037 176.210 176.117 0.093 0.000 1.020 69 I CA -1.014 60.326 61.300 0.067 0.000 1.088 69 I CB 1.236 39.270 38.000 0.058 0.000 1.267 69 I HN 0.226 nan 8.210 nan 0.000 0.430 70 D N 3.680 124.159 120.400 0.131 0.000 2.338 70 D HA 0.158 4.799 4.640 0.000 0.000 0.255 70 D C 0.162 176.578 176.300 0.194 0.000 1.237 70 D CA 0.428 54.545 54.000 0.195 0.000 0.883 70 D CB 0.915 41.886 40.800 0.285 0.000 1.087 70 D HN 0.594 nan 8.370 nan 0.000 0.485 71 Q N 1.513 121.402 119.800 0.149 0.000 2.171 71 Q HA 0.172 4.512 4.340 0.000 0.000 0.218 71 Q C 1.406 177.421 176.000 0.024 0.000 0.822 71 Q CA -0.154 55.707 55.803 0.096 0.000 0.987 71 Q CB 0.619 29.393 28.738 0.060 0.000 1.144 71 Q HN 0.334 nan 8.270 nan 0.000 0.494 72 S N -0.154 115.550 115.700 0.007 0.000 2.442 72 S HA -0.023 4.447 4.470 0.000 0.000 0.236 72 S C -0.123 174.017 174.600 -0.767 0.000 1.007 72 S CA 0.968 58.955 58.200 -0.356 0.000 0.965 72 S CB 0.133 63.114 63.200 -0.364 0.000 0.773 72 S HN 0.308 nan 8.310 nan 0.000 0.504 73 F N 1.193 121.220 119.950 0.127 0.000 2.627 73 F HA 0.337 4.865 4.527 0.001 0.000 0.344 73 F C -2.706 173.186 175.800 0.154 0.000 1.505 73 F CA -2.410 55.659 58.000 0.116 0.000 1.111 73 F CB 0.952 40.039 39.000 0.144 0.000 1.585 73 F HN -0.102 nan 8.300 nan 0.000 0.582 74 P HA 0.267 nan 4.420 nan 0.000 0.280 74 P C 0.815 178.204 177.300 0.148 0.000 1.244 74 P CA 0.389 63.579 63.100 0.150 0.000 0.784 74 P CB 1.567 33.316 31.700 0.082 0.000 0.913 75 G N 1.883 110.758 108.800 0.124 0.000 2.176 75 G HA2 -0.263 3.698 3.960 0.000 0.000 0.252 75 G HA3 -0.263 3.698 3.960 0.000 0.000 0.252 75 G C -0.523 174.475 174.900 0.164 0.000 1.024 75 G CA -0.196 44.963 45.100 0.098 0.000 0.755 75 G HN 0.564 nan 8.290 nan 0.000 0.507 76 F N 0.601 120.559 119.950 0.013 0.000 2.445 76 F HA 0.650 5.178 4.527 0.000 0.000 0.348 76 F C 1.086 176.844 175.800 -0.069 0.000 1.125 76 F CA -1.443 56.519 58.000 -0.062 0.000 0.983 76 F CB 1.103 40.037 39.000 -0.109 0.000 1.198 76 F HN 0.106 nan 8.300 nan 0.000 0.436 77 H N 4.120 122.735 119.070 -0.758 0.000 2.394 77 H HA -0.105 4.451 4.556 0.000 0.000 0.297 77 H C 2.055 176.887 175.328 -0.827 0.000 1.113 77 H CA 2.061 57.702 56.048 -0.678 0.000 1.277 77 H CB -0.322 29.101 29.762 -0.565 0.000 1.370 77 H HN 0.782 nan 8.280 nan 0.000 0.506 78 G N -1.250 106.495 108.800 -1.759 0.000 2.462 78 G HA2 -0.244 3.717 3.960 0.000 0.000 0.220 78 G HA3 -0.244 3.717 3.960 0.000 0.000 0.220 78 G C 1.780 176.632 174.900 -0.079 0.000 1.121 78 G CA 1.396 45.699 45.100 -1.328 0.000 0.758 78 G HN 0.613 nan 8.290 nan 0.000 0.559 79 S N -0.780 114.947 115.700 0.044 0.000 2.505 79 S HA 0.199 4.669 4.470 0.000 0.000 0.216 79 S C 1.667 176.455 174.600 0.314 0.000 1.018 79 S CA 0.529 59.065 58.200 0.561 0.000 0.911 79 S CB 0.223 63.858 63.200 0.723 0.000 0.818 79 S HN 0.455 nan 8.310 nan 0.000 0.497 80 E N 2.680 122.928 120.200 0.079 0.000 2.051 80 E HA -0.164 4.186 4.350 0.000 0.000 0.192 80 E C 2.153 178.705 176.600 -0.079 0.000 0.991 80 E CA 1.748 58.166 56.400 0.030 0.000 0.799 80 E CB -0.547 29.157 29.700 0.008 0.000 0.748 80 E HN 0.791 nan 8.360 nan 0.000 0.449 81 M N -1.105 118.332 119.600 -0.272 0.000 2.419 81 M HA -0.165 4.315 4.480 0.000 0.000 0.260 81 M C 1.150 177.044 176.300 -0.676 0.000 1.073 81 M CA 1.598 56.577 55.300 -0.534 0.000 1.056 81 M CB -0.570 31.522 32.600 -0.847 0.000 1.394 81 M HN 0.112 nan 8.290 nan 0.000 0.444 82 W N 1.100 122.359 121.300 -0.069 0.000 2.762 82 W HA 0.257 4.917 4.660 0.000 0.000 0.265 82 W C 0.515 176.998 176.519 -0.060 0.000 1.263 82 W CA -0.768 56.537 57.345 -0.068 0.000 1.411 82 W CB -0.040 29.424 29.460 0.006 0.000 1.065 82 W HN 0.174 nan 8.180 nan 0.000 0.609 83 N N 1.318 120.104 118.700 0.144 0.000 2.467 83 N HA 0.117 4.858 4.740 0.000 0.000 0.262 83 N C -2.456 173.047 175.510 -0.011 0.000 1.234 83 N CA -1.460 51.636 53.050 0.077 0.000 0.952 83 N CB 0.363 38.897 38.487 0.078 0.000 1.158 83 N HN -0.390 nan 8.380 nan 0.000 0.463 84 P HA 0.104 nan 4.420 nan 0.000 0.274 84 P C -0.657 176.596 177.300 -0.079 0.000 1.237 84 P CA -0.198 62.855 63.100 -0.079 0.000 0.793 84 P CB 0.488 32.146 31.700 -0.071 0.000 0.977 85 N N -1.507 117.126 118.700 -0.111 0.000 2.241 85 N HA 0.092 4.833 4.740 0.000 0.000 0.238 85 N C -0.681 174.784 175.510 -0.075 0.000 1.244 85 N CA -0.275 52.715 53.050 -0.100 0.000 0.880 85 N CB -0.188 38.218 38.487 -0.135 0.000 1.179 85 N HN 0.412 nan 8.380 nan 0.000 0.513 86 T N -3.295 111.220 114.554 -0.065 0.000 2.883 86 T HA 0.393 4.744 4.350 0.000 0.000 0.301 86 T C -1.230 173.454 174.700 -0.027 0.000 1.158 86 T CA -0.780 61.300 62.100 -0.032 0.000 1.007 86 T CB 1.473 70.333 68.868 -0.013 0.000 1.186 86 T HN -0.158 nan 8.240 nan 0.000 0.499 87 D N 1.625 122.014 120.400 -0.019 0.000 2.583 87 D HA 0.160 4.800 4.640 0.000 0.000 0.232 87 D C 0.443 176.737 176.300 -0.011 0.000 1.128 87 D CA 0.288 54.279 54.000 -0.016 0.000 0.859 87 D CB 0.181 40.971 40.800 -0.017 0.000 1.169 87 D HN 0.458 nan 8.370 nan 0.000 0.481 88 L N 1.382 122.600 121.223 -0.009 0.000 2.466 88 L HA 0.399 4.739 4.340 0.000 0.000 0.257 88 L C 0.788 177.659 176.870 0.002 0.000 1.189 88 L CA 0.048 54.885 54.840 -0.004 0.000 0.813 88 L CB 0.879 42.935 42.059 -0.004 0.000 1.118 88 L HN 0.516 nan 8.230 nan 0.000 0.471 89 S N -0.242 115.461 115.700 0.006 0.000 2.751 89 S HA 0.039 4.510 4.470 0.000 0.000 0.289 89 S C -0.059 174.545 174.600 0.007 0.000 0.965 89 S CA -0.679 57.527 58.200 0.009 0.000 0.855 89 S CB 0.732 63.946 63.200 0.023 0.000 1.068 89 S HN 0.746 nan 8.310 nan 0.000 0.462 90 E N 0.855 121.047 120.200 -0.012 0.000 2.418 90 E HA -0.052 4.298 4.350 0.000 0.000 0.197 90 E C -0.215 176.377 176.600 -0.013 0.000 1.026 90 E CA 0.638 57.017 56.400 -0.034 0.000 0.862 90 E CB 0.063 29.722 29.700 -0.068 0.000 0.799 90 E HN 0.505 nan 8.360 nan 0.000 0.518 91 D N 0.044 120.465 120.400 0.034 0.000 2.524 91 D HA 0.024 4.664 4.640 0.000 0.000 0.222 91 D C 0.231 176.669 176.300 0.230 0.000 1.142 91 D CA -0.363 53.691 54.000 0.089 0.000 0.973 91 D CB -0.060 40.807 40.800 0.112 0.000 1.025 91 D HN 0.135 nan 8.370 nan 0.000 0.519 92 c N 1.571 120.263 118.600 0.154 0.000 4.100 92 c HA 0.342 4.913 4.570 0.000 0.000 0.393 92 c C 1.013 175.227 174.090 0.207 0.000 1.619 92 c CA -0.535 55.952 56.329 0.263 0.000 1.976 92 c CB -1.122 41.467 42.510 0.131 0.000 2.992 92 c HN 0.400 nan 8.230 nan 0.000 0.694 93 L N 2.421 123.529 121.223 -0.193 0.000 2.546 93 L HA 0.203 4.544 4.340 0.000 0.000 0.272 93 L C -0.862 175.535 176.870 -0.788 0.000 1.327 93 L CA 0.889 55.438 54.840 -0.485 0.000 1.199 93 L CB -1.254 40.343 42.059 -0.770 0.000 1.401 93 L HN 0.424 nan 8.230 nan 0.000 0.440 94 Y N 1.721 122.077 120.300 0.094 0.000 2.545 94 Y HA 0.642 5.192 4.550 0.000 0.000 0.348 94 Y C -0.113 175.940 175.900 0.254 0.000 1.002 94 Y CA -1.313 56.869 58.100 0.137 0.000 1.039 94 Y CB 2.048 40.548 38.460 0.068 0.000 1.271 94 Y HN 0.176 nan 8.280 nan 0.000 0.467 95 L N 0.180 121.540 121.223 0.229 0.000 2.370 95 L HA 0.733 5.074 4.340 0.000 0.000 0.266 95 L C -1.109 175.725 176.870 -0.059 0.000 1.002 95 L CA -1.103 53.745 54.840 0.015 0.000 0.818 95 L CB 1.572 43.460 42.059 -0.284 0.000 1.325 95 L HN 0.451 nan 8.230 nan 0.000 0.418 96 N N 1.253 119.927 118.700 -0.044 0.000 2.489 96 N HA 0.694 5.435 4.740 0.000 0.000 0.284 96 N C -1.211 174.116 175.510 -0.304 0.000 1.158 96 N CA -0.531 52.364 53.050 -0.258 0.000 0.965 96 N CB 2.611 40.834 38.487 -0.440 0.000 1.195 96 N HN 0.515 nan 8.380 nan 0.000 0.506 97 V N 1.459 121.117 119.914 -0.426 0.000 2.577 97 V HA 0.249 4.369 4.120 0.000 0.000 0.294 97 V C -1.036 174.994 176.094 -0.108 0.000 1.052 97 V CA -0.795 61.391 62.300 -0.189 0.000 0.891 97 V CB 1.543 33.174 31.823 -0.321 0.000 1.017 97 V HN 0.587 nan 8.190 nan 0.000 0.436 98 W N 6.376 127.778 121.300 0.170 0.000 2.335 98 W HA 0.675 5.335 4.660 0.001 0.000 0.307 98 W C -0.118 176.511 176.519 0.184 0.000 1.117 98 W CA -0.509 56.951 57.345 0.192 0.000 1.228 98 W CB 1.893 31.441 29.460 0.148 0.000 1.240 98 W HN 0.614 nan 8.180 nan 0.000 0.468 99 I N 3.361 124.181 120.570 0.417 0.000 2.562 99 I HA 0.631 4.801 4.170 0.000 0.000 0.301 99 I C -2.536 173.749 176.117 0.281 0.000 1.003 99 I CA -2.955 58.542 61.300 0.329 0.000 1.127 99 I CB 2.171 40.378 38.000 0.344 0.000 1.304 99 I HN -0.020 nan 8.210 nan 0.000 0.446 100 P HA 0.367 nan 4.420 nan 0.000 0.281 100 P C -1.307 176.087 177.300 0.158 0.000 1.249 100 P CA -0.479 62.726 63.100 0.175 0.000 0.810 100 P CB 1.225 33.011 31.700 0.144 0.000 1.008 101 A N 3.119 126.020 122.820 0.135 0.000 2.304 101 A HA 0.715 5.036 4.320 0.000 0.000 0.323 101 A C -2.251 175.389 177.584 0.094 0.000 1.195 101 A CA -1.321 50.784 52.037 0.114 0.000 0.826 101 A CB -0.485 18.578 19.000 0.104 0.000 1.184 101 A HN 0.402 nan 8.150 nan 0.000 0.496 102 P HA 0.340 nan 4.420 nan 0.000 0.278 102 P C -0.505 176.853 177.300 0.097 0.000 1.266 102 P CA -0.873 62.278 63.100 0.085 0.000 0.807 102 P CB 0.434 32.174 31.700 0.066 0.000 1.094 103 K N 1.848 122.309 120.400 0.101 0.000 2.477 103 K HA -0.012 4.309 4.320 0.000 0.000 0.275 103 K C -1.833 174.820 176.600 0.089 0.000 1.054 103 K CA -0.577 55.773 56.287 0.106 0.000 1.135 103 K CB -0.586 31.965 32.500 0.085 0.000 0.854 103 K HN 0.344 nan 8.250 nan 0.000 0.484 104 P HA 0.009 nan 4.420 nan 0.000 0.275 104 P C -0.273 177.073 177.300 0.077 0.000 1.228 104 P CA -0.104 63.046 63.100 0.083 0.000 0.786 104 P CB 1.515 33.269 31.700 0.089 0.000 0.927 105 K N 2.333 122.769 120.400 0.059 0.000 6.390 105 K HA -0.159 4.162 4.320 0.000 0.000 0.469 105 K C -0.309 176.320 176.600 0.048 0.000 0.387 105 K CA 1.275 57.593 56.287 0.052 0.000 1.964 105 K CB -1.794 30.740 32.500 0.057 0.000 0.571 105 K HN 0.596 nan 8.250 nan 0.000 0.723 106 N N 0.560 119.293 118.700 0.056 0.000 3.934 106 N HA 0.087 4.827 4.740 0.000 0.000 0.116 106 N C -0.941 174.599 175.510 0.049 0.000 0.814 106 N CA 1.139 54.218 53.050 0.048 0.000 3.291 106 N CB -0.845 37.665 38.487 0.038 0.000 1.229 106 N HN 0.728 nan 8.380 nan 0.000 0.815 107 A N -0.101 122.755 122.820 0.060 0.000 2.287 107 A HA 0.673 4.993 4.320 0.000 0.000 0.273 107 A C 0.601 178.207 177.584 0.037 0.000 1.091 107 A CA 0.151 52.220 52.037 0.053 0.000 0.817 107 A CB 0.377 19.421 19.000 0.073 0.000 1.069 107 A HN 0.271 nan 8.150 nan 0.000 0.492 108 T N 0.628 115.189 114.554 0.011 0.000 2.907 108 T HA 0.435 4.786 4.350 0.000 0.000 0.298 108 T C -0.225 174.484 174.700 0.015 0.000 1.017 108 T CA 0.090 62.184 62.100 -0.011 0.000 1.118 108 T CB 0.377 69.198 68.868 -0.079 0.000 0.948 108 T HN 0.421 nan 8.240 nan 0.000 0.531 109 V N 5.197 125.127 119.914 0.027 0.000 2.384 109 V HA 0.403 4.524 4.120 0.000 0.000 0.287 109 V C -0.651 175.484 176.094 0.068 0.000 1.020 109 V CA -0.914 61.425 62.300 0.065 0.000 0.850 109 V CB 1.391 33.262 31.823 0.081 0.000 0.987 109 V HN 0.559 nan 8.190 nan 0.000 0.436 110 L N 6.233 127.507 121.223 0.085 0.000 2.272 110 L HA 0.550 4.890 4.340 0.000 0.000 0.289 110 L C -0.175 176.920 176.870 0.375 0.000 1.032 110 L CA -0.015 54.876 54.840 0.085 0.000 0.810 110 L CB 1.247 43.190 42.059 -0.194 0.000 1.205 110 L HN 0.469 nan 8.230 nan 0.000 0.422 111 I N 3.257 124.096 120.570 0.448 0.000 2.328 111 I HA 0.182 4.353 4.170 0.000 0.000 0.287 111 I C -0.583 175.850 176.117 0.528 0.000 1.012 111 I CA -0.481 61.078 61.300 0.432 0.000 1.195 111 I CB 0.977 39.084 38.000 0.179 0.000 1.350 111 I HN 0.633 nan 8.210 nan 0.000 0.464 112 W N 8.786 130.220 121.300 0.223 0.000 2.316 112 W HA 0.512 5.172 4.660 0.000 0.000 0.311 112 W C -1.426 174.980 176.519 -0.190 0.000 1.217 112 W CA -0.515 56.649 57.345 -0.301 0.000 1.199 112 W CB 1.055 30.322 29.460 -0.322 0.000 1.202 112 W HN 0.335 nan 8.180 nan 0.000 0.528 113 I N 9.131 128.977 120.570 -1.207 0.000 2.420 113 I HA 0.068 4.239 4.170 0.000 0.000 0.282 113 I C -0.390 174.896 176.117 -1.384 0.000 1.019 113 I CA -1.173 59.525 61.300 -1.004 0.000 1.130 113 I CB 0.691 38.308 38.000 -0.638 0.000 1.262 113 I HN 0.281 nan 8.210 nan 0.000 0.454 114 Y N 4.337 124.163 120.300 -0.790 0.000 2.597 114 Y HA 0.536 5.086 4.550 0.000 0.000 0.336 114 Y C 0.916 176.680 175.900 -0.228 0.000 1.216 114 Y CA -0.662 57.160 58.100 -0.464 0.000 1.463 114 Y CB -0.172 38.271 38.460 -0.029 0.000 1.303 114 Y HN 0.588 nan 8.280 nan 0.000 0.576 115 G N 0.607 109.412 108.800 0.009 0.000 2.514 115 G HA2 0.435 4.395 3.960 0.000 0.000 0.245 115 G HA3 0.435 4.395 3.960 0.000 0.000 0.245 115 G C 0.543 175.491 174.900 0.081 0.000 1.488 115 G CA -0.746 44.324 45.100 -0.051 0.000 1.063 115 G HN 1.839 nan 8.290 nan 0.000 0.557 116 G N -2.774 105.992 108.800 -0.056 0.000 2.189 116 G HA2 0.369 4.329 3.960 0.000 0.000 0.113 116 G HA3 0.369 4.329 3.960 0.000 0.000 0.113 116 G C 1.103 175.951 174.900 -0.085 0.000 1.038 116 G CA 0.614 45.692 45.100 -0.037 0.000 0.704 116 G HN 2.268 nan 8.290 nan 0.000 0.490 117 G N -0.277 108.390 108.800 -0.221 0.000 2.402 117 G HA2 -0.091 3.869 3.960 0.000 0.000 0.300 117 G HA3 -0.091 3.869 3.960 0.000 0.000 0.300 117 G C 0.938 175.858 174.900 0.034 0.000 0.987 117 G CA 0.815 45.793 45.100 -0.203 0.000 0.881 117 G HN 1.884 nan 8.290 nan 0.000 0.512 118 F N -3.130 116.885 119.950 0.108 0.000 3.048 118 F HA -0.282 4.245 4.527 0.001 0.000 0.287 118 F C 1.714 177.648 175.800 0.223 0.000 0.796 118 F CA 1.836 59.936 58.000 0.166 0.000 1.111 118 F CB -1.514 37.383 39.000 -0.171 0.000 1.320 118 F HN 0.457 nan 8.300 nan 0.000 0.430 119 Q N -0.983 118.981 119.800 0.273 0.000 2.322 119 Q HA 0.259 4.599 4.340 0.000 0.000 0.250 119 Q C 1.182 177.271 176.000 0.150 0.000 0.853 119 Q CA 1.306 57.241 55.803 0.221 0.000 0.951 119 Q CB 1.026 29.855 28.738 0.152 0.000 1.114 119 Q HN 0.565 nan 8.270 nan 0.000 0.523 120 T N -2.791 111.832 114.554 0.116 0.000 2.838 120 T HA 0.782 5.132 4.350 0.000 0.000 0.292 120 T C 0.089 174.811 174.700 0.037 0.000 1.113 120 T CA -0.311 61.825 62.100 0.059 0.000 1.008 120 T CB 2.533 71.423 68.868 0.036 0.000 1.259 120 T HN 0.340 nan 8.240 nan 0.000 0.520 121 G N -0.584 108.164 108.800 -0.086 0.000 2.515 121 G HA2 0.408 4.368 3.960 0.000 0.000 0.686 121 G HA3 0.408 4.368 3.960 0.000 0.000 0.686 121 G C -0.536 173.814 174.900 -0.917 0.000 1.274 121 G CA -0.119 44.796 45.100 -0.309 0.000 0.874 121 G HN 1.686 nan 8.290 nan 0.000 0.631 122 T N -1.540 112.341 114.554 -1.123 0.000 2.957 122 T HA 0.636 4.986 4.350 0.000 0.000 0.336 122 T C 1.339 175.820 174.700 -0.365 0.000 1.462 122 T CA 0.951 62.512 62.100 -0.898 0.000 1.073 122 T CB 1.071 69.728 68.868 -0.351 0.000 1.319 122 T HN 2.130 nan 8.240 nan 0.000 0.485 123 S N 1.555 117.287 115.700 0.053 0.000 2.603 123 S HA 0.014 4.484 4.470 0.000 0.000 0.229 123 S C 1.609 176.363 174.600 0.256 0.000 0.972 123 S CA 0.922 59.386 58.200 0.440 0.000 0.935 123 S CB -0.368 63.148 63.200 0.526 0.000 0.769 123 S HN 0.864 nan 8.310 nan 0.000 0.536 124 S N 0.449 116.091 115.700 -0.097 0.000 2.539 124 S HA 0.372 4.842 4.470 0.000 0.000 0.221 124 S C 0.512 174.782 174.600 -0.550 0.000 0.987 124 S CA -0.701 57.102 58.200 -0.661 0.000 0.929 124 S CB -0.531 62.011 63.200 -1.097 0.000 0.832 124 S HN 0.460 nan 8.310 nan 0.000 0.492 125 L N 1.936 122.951 121.223 -0.347 0.000 2.516 125 L HA 0.046 4.386 4.340 0.000 0.000 0.288 125 L C 2.060 178.674 176.870 -0.425 0.000 1.246 125 L CA 0.206 54.772 54.840 -0.456 0.000 0.844 125 L CB 0.097 41.689 42.059 -0.777 0.000 1.106 125 L HN 0.352 nan 8.230 nan 0.000 0.509 126 H N 1.663 120.480 119.070 -0.422 0.000 2.423 126 H HA -0.103 4.453 4.556 0.000 0.000 0.297 126 H C 1.644 176.742 175.328 -0.382 0.000 1.075 126 H CA 1.711 57.581 56.048 -0.297 0.000 1.342 126 H CB 0.121 29.770 29.762 -0.187 0.000 1.395 126 H HN 0.470 nan 8.280 nan 0.000 0.530 127 V N -1.265 118.237 119.914 -0.685 0.000 2.720 127 V HA -0.191 3.929 4.120 0.000 0.000 0.256 127 V C 1.149 176.659 176.094 -0.974 0.000 1.082 127 V CA 1.369 63.214 62.300 -0.758 0.000 1.101 127 V CB -1.156 30.237 31.823 -0.717 0.000 0.693 127 V HN 0.312 nan 8.190 nan 0.000 0.479 128 Y N 0.259 119.966 120.300 -0.988 0.000 2.493 128 Y HA 0.421 4.971 4.550 0.000 0.000 0.275 128 Y C 0.930 176.064 175.900 -1.277 0.000 1.183 128 Y CA -1.690 55.383 58.100 -1.711 0.000 1.258 128 Y CB -0.864 36.975 38.460 -1.035 0.000 1.108 128 Y HN 0.255 nan 8.280 nan 0.000 0.521 129 D N 1.147 121.128 120.400 -0.698 0.000 2.349 129 D HA 0.051 4.692 4.640 0.000 0.000 0.266 129 D C 1.263 177.187 176.300 -0.627 0.000 1.293 129 D CA 0.344 54.073 54.000 -0.451 0.000 0.926 129 D CB 0.945 41.587 40.800 -0.264 0.000 1.090 129 D HN 0.438 nan 8.370 nan 0.000 0.502 130 G N 3.746 111.797 108.800 -1.249 0.000 3.262 130 G HA2 -0.114 3.846 3.960 0.000 0.000 0.228 130 G HA3 -0.114 3.846 3.960 0.000 0.000 0.228 130 G C 1.351 175.629 174.900 -1.037 0.000 1.197 130 G CA 0.056 44.571 45.100 -0.975 0.000 0.819 130 G HN 0.581 nan 8.290 nan 0.000 0.531 131 K N -0.298 119.451 120.400 -1.085 0.000 2.057 131 K HA -0.007 4.314 4.320 0.000 0.000 0.206 131 K C 1.711 178.123 176.600 -0.314 0.000 1.050 131 K CA 0.743 56.689 56.287 -0.568 0.000 0.935 131 K CB -0.500 31.727 32.500 -0.455 0.000 0.715 131 K HN 0.286 nan 8.250 nan 0.000 0.439 132 F N 1.968 121.850 119.950 -0.114 0.000 2.095 132 F HA -0.139 4.389 4.527 0.001 0.000 0.298 132 F C 2.387 178.218 175.800 0.052 0.000 1.104 132 F CA 0.906 58.918 58.000 0.019 0.000 1.232 132 F CB -0.420 38.599 39.000 0.031 0.000 0.987 132 F HN -0.116 nan 8.300 nan 0.000 0.475 133 L N -0.163 121.161 121.223 0.169 0.000 2.012 133 L HA -0.255 4.086 4.340 0.000 0.000 0.210 133 L C 2.745 179.666 176.870 0.085 0.000 1.073 133 L CA 1.310 56.199 54.840 0.082 0.000 0.748 133 L CB -0.825 41.238 42.059 0.006 0.000 0.891 133 L HN 0.177 nan 8.230 nan 0.000 0.431 134 A N -0.263 122.608 122.820 0.085 0.000 1.930 134 A HA -0.228 4.093 4.320 0.000 0.000 0.217 134 A C 2.250 179.913 177.584 0.130 0.000 1.175 134 A CA 1.610 53.721 52.037 0.122 0.000 0.627 134 A CB -0.438 18.672 19.000 0.182 0.000 0.815 134 A HN 0.331 nan 8.150 nan 0.000 0.443 135 R N 0.138 120.722 120.500 0.140 0.000 2.088 135 R HA -0.113 4.227 4.340 0.000 0.000 0.232 135 R C 1.638 178.037 176.300 0.165 0.000 1.136 135 R CA 2.616 58.818 56.100 0.170 0.000 0.926 135 R CB -1.119 29.321 30.300 0.233 0.000 0.837 135 R HN 0.221 nan 8.270 nan 0.000 0.429 136 V N 0.678 120.697 119.914 0.175 0.000 3.041 136 V HA 0.000 4.121 4.120 0.000 0.000 0.260 136 V C 1.338 177.480 176.094 0.080 0.000 1.105 136 V CA 1.602 63.975 62.300 0.122 0.000 1.125 136 V CB -0.299 31.587 31.823 0.106 0.000 0.730 136 V HN 0.345 nan 8.190 nan 0.000 0.479 137 E N -0.692 119.556 120.200 0.079 0.000 2.572 137 E HA 0.247 4.598 4.350 0.000 0.000 0.220 137 E C 0.404 177.038 176.600 0.057 0.000 0.945 137 E CA -0.245 56.189 56.400 0.056 0.000 1.070 137 E CB 0.502 30.223 29.700 0.035 0.000 1.090 137 E HN 0.390 nan 8.360 nan 0.000 0.506 138 R N 0.527 121.073 120.500 0.077 0.000 3.423 138 R HA -0.130 4.210 4.340 0.000 0.000 0.271 138 R C 0.192 176.534 176.300 0.070 0.000 1.093 138 R CA 0.740 56.889 56.100 0.082 0.000 0.730 138 R CB -2.454 27.892 30.300 0.076 0.000 1.190 138 R HN 0.089 nan 8.270 nan 0.000 0.437 139 V N -2.293 117.663 119.914 0.070 0.000 2.966 139 V HA 0.695 4.815 4.120 0.000 0.000 0.317 139 V C 0.898 177.060 176.094 0.114 0.000 1.070 139 V CA -1.030 61.306 62.300 0.061 0.000 1.008 139 V CB 2.402 34.237 31.823 0.021 0.000 1.070 139 V HN 0.142 nan 8.190 nan 0.000 0.457 140 I N 1.852 122.495 120.570 0.122 0.000 2.385 140 I HA 0.484 4.654 4.170 0.000 0.000 0.294 140 I C -0.582 175.665 176.117 0.218 0.000 0.988 140 I CA -0.712 60.695 61.300 0.178 0.000 1.265 140 I CB 1.807 39.892 38.000 0.143 0.000 1.388 140 I HN 0.407 nan 8.210 nan 0.000 0.480 141 V N 7.003 127.122 119.914 0.342 0.000 2.409 141 V HA 0.399 4.520 4.120 0.000 0.000 0.291 141 V C -0.081 176.370 176.094 0.597 0.000 1.020 141 V CA -0.625 61.950 62.300 0.458 0.000 0.848 141 V CB 1.866 33.942 31.823 0.422 0.000 0.990 141 V HN 0.397 nan 8.190 nan 0.000 0.430 142 V N 4.227 124.435 119.914 0.489 0.000 2.555 142 V HA 0.798 4.919 4.120 0.000 0.000 0.302 142 V C -0.060 176.324 176.094 0.483 0.000 1.038 142 V CA -0.324 62.214 62.300 0.397 0.000 0.887 142 V CB 2.228 34.170 31.823 0.199 0.000 0.991 142 V HN 1.023 nan 8.190 nan 0.000 0.434 143 S N 5.226 121.203 115.700 0.462 0.000 2.540 143 S HA 0.886 5.357 4.470 0.000 0.000 0.275 143 S C -0.900 173.873 174.600 0.287 0.000 1.123 143 S CA -0.848 57.614 58.200 0.435 0.000 0.907 143 S CB 2.295 65.886 63.200 0.653 0.000 1.081 143 S HN 0.856 nan 8.310 nan 0.000 0.476 144 M N 1.004 120.738 119.600 0.225 0.000 2.619 144 M HA 0.661 5.141 4.480 0.000 0.000 0.297 144 M C -1.931 174.584 176.300 0.358 0.000 1.229 144 M CA -0.598 54.808 55.300 0.176 0.000 0.860 144 M CB 1.253 33.779 32.600 -0.123 0.000 1.741 144 M HN 0.528 nan 8.290 nan 0.000 0.462 145 N N 2.356 121.311 118.700 0.425 0.000 2.518 145 N HA 0.640 5.380 4.740 0.000 0.000 0.283 145 N C -1.444 174.325 175.510 0.432 0.000 1.119 145 N CA 0.118 53.438 53.050 0.450 0.000 0.983 145 N CB 0.620 39.314 38.487 0.345 0.000 1.139 145 N HN 0.725 nan 8.380 nan 0.000 0.465 146 Y N -2.001 118.471 120.300 0.288 0.000 2.504 146 Y HA 0.556 5.106 4.550 0.000 0.000 0.344 146 Y C -0.071 175.930 175.900 0.168 0.000 1.023 146 Y CA -1.322 56.882 58.100 0.172 0.000 1.020 146 Y CB 0.916 39.411 38.460 0.058 0.000 1.282 146 Y HN 0.216 nan 8.280 nan 0.000 0.454 147 R N 1.672 122.260 120.500 0.146 0.000 2.734 147 R HA 0.514 4.855 4.340 0.000 0.000 0.266 147 R C -0.559 175.801 176.300 0.101 0.000 1.044 147 R CA 0.090 56.210 56.100 0.033 0.000 1.128 147 R CB 0.796 31.061 30.300 -0.060 0.000 1.010 147 R HN 0.748 nan 8.270 nan 0.000 0.461 148 V N -1.536 118.463 119.914 0.141 0.000 3.147 148 V HA 0.879 4.999 4.120 0.000 0.000 0.306 148 V C 0.154 176.449 176.094 0.335 0.000 1.209 148 V CA -0.217 62.323 62.300 0.399 0.000 1.023 148 V CB 1.449 33.471 31.823 0.331 0.000 1.059 148 V HN 1.045 nan 8.190 nan 0.000 0.435 149 G N 1.343 110.447 108.800 0.507 0.000 2.796 149 G HA2 0.199 4.159 3.960 0.000 0.000 0.226 149 G HA3 0.199 4.159 3.960 0.000 0.000 0.226 149 G C 0.949 175.992 174.900 0.238 0.000 1.381 149 G CA 0.566 45.883 45.100 0.362 0.000 0.867 149 G HN 2.428 nan 8.290 nan 0.000 0.552 150 A N -0.828 121.926 122.820 -0.109 0.000 1.985 150 A HA -0.157 4.163 4.320 0.000 0.000 0.223 150 A C 2.691 180.255 177.584 -0.032 0.000 1.189 150 A CA 2.694 54.388 52.037 -0.573 0.000 0.658 150 A CB -0.419 18.116 19.000 -0.775 0.000 0.820 150 A HN 1.318 nan 8.150 nan 0.000 0.464 151 L N -1.687 119.520 121.223 -0.027 0.000 2.141 151 L HA -0.094 4.246 4.340 0.000 0.000 0.209 151 L C 2.446 179.241 176.870 -0.125 0.000 1.094 151 L CA 1.137 55.889 54.840 -0.146 0.000 0.763 151 L CB -0.221 41.736 42.059 -0.171 0.000 0.908 151 L HN 0.529 nan 8.230 nan 0.000 0.437 152 G N -2.563 106.179 108.800 -0.096 0.000 3.044 152 G HA2 0.022 3.982 3.960 0.000 0.000 0.223 152 G HA3 0.022 3.982 3.960 0.000 0.000 0.223 152 G C 0.560 175.054 174.900 -0.676 0.000 1.123 152 G CA -0.111 44.770 45.100 -0.364 0.000 0.765 152 G HN 0.268 nan 8.290 nan 0.000 0.546 153 F N -0.278 119.756 119.950 0.140 0.000 2.859 153 F HA 0.452 4.979 4.527 0.000 0.000 0.324 153 F C 0.231 176.176 175.800 0.242 0.000 1.158 153 F CA -0.936 57.160 58.000 0.161 0.000 1.147 153 F CB 0.515 39.610 39.000 0.159 0.000 1.137 153 F HN -0.104 nan 8.300 nan 0.000 0.516 154 L N 1.944 123.321 121.223 0.257 0.000 2.416 154 L HA 0.621 4.962 4.340 0.000 0.000 0.272 154 L C 0.051 177.014 176.870 0.155 0.000 1.161 154 L CA 0.153 55.093 54.840 0.167 0.000 0.845 154 L CB 0.709 42.695 42.059 -0.122 0.000 1.119 154 L HN 0.149 nan 8.230 nan 0.000 0.464 155 A N 6.021 128.943 122.820 0.169 0.000 2.476 155 A HA 0.526 4.846 4.320 0.000 0.000 0.280 155 A C -1.555 176.064 177.584 0.058 0.000 1.081 155 A CA -0.573 51.525 52.037 0.103 0.000 0.753 155 A CB 0.791 19.868 19.000 0.127 0.000 1.248 155 A HN 0.439 nan 8.150 nan 0.000 0.424 156 L N 3.773 125.004 121.223 0.013 0.000 2.268 156 L HA 0.357 4.698 4.340 0.000 0.000 0.289 156 L C -2.316 174.561 176.870 0.011 0.000 1.064 156 L CA -1.972 52.871 54.840 0.004 0.000 0.824 156 L CB 0.521 42.568 42.059 -0.020 0.000 1.202 156 L HN 0.367 nan 8.230 nan 0.000 0.433 157 P HA 0.114 nan 4.420 nan 0.000 0.255 157 P C 0.979 178.280 177.300 0.003 0.000 1.173 157 P CA 0.917 64.018 63.100 0.003 0.000 0.780 157 P CB 0.561 32.248 31.700 -0.021 0.000 0.758 158 G N 3.453 112.262 108.800 0.015 0.000 2.383 158 G HA2 -0.301 3.659 3.960 0.000 0.000 0.229 158 G HA3 -0.301 3.659 3.960 0.000 0.000 0.229 158 G C 0.586 175.496 174.900 0.016 0.000 1.089 158 G CA -0.005 45.105 45.100 0.015 0.000 0.640 158 G HN 0.651 nan 8.290 nan 0.000 0.510 159 N N 3.050 121.756 118.700 0.011 0.000 2.418 159 N HA 0.305 5.045 4.740 0.000 0.000 0.277 159 N C -0.352 175.165 175.510 0.011 0.000 1.317 159 N CA -0.473 52.581 53.050 0.006 0.000 0.922 159 N CB 0.938 39.424 38.487 -0.003 0.000 1.194 159 N HN 0.220 nan 8.380 nan 0.000 0.485 160 P HA -0.194 nan 4.420 nan 0.000 0.222 160 P C 0.284 177.589 177.300 0.007 0.000 1.142 160 P CA 1.242 64.345 63.100 0.005 0.000 0.788 160 P CB 0.180 31.880 31.700 -0.001 0.000 0.767 161 E N -0.496 119.711 120.200 0.012 0.000 2.472 161 E HA 0.194 4.544 4.350 0.000 0.000 0.196 161 E C 0.587 177.214 176.600 0.044 0.000 1.033 161 E CA 0.105 56.521 56.400 0.027 0.000 0.886 161 E CB 0.236 29.951 29.700 0.024 0.000 0.944 161 E HN 0.102 nan 8.360 nan 0.000 0.492 162 A N 2.513 125.345 122.820 0.021 0.000 3.370 162 A HA 0.346 4.666 4.320 0.000 0.000 0.295 162 A C -2.130 175.478 177.584 0.040 0.000 1.030 162 A CA -0.940 51.105 52.037 0.014 0.000 0.883 162 A CB 0.886 19.835 19.000 -0.087 0.000 1.191 162 A HN -0.034 nan 8.150 nan 0.000 0.507 163 P HA 0.194 nan 4.420 nan 0.000 0.227 163 P C 0.878 178.245 177.300 0.111 0.000 1.161 163 P CA 1.675 64.822 63.100 0.078 0.000 0.788 163 P CB 0.319 32.063 31.700 0.074 0.000 0.822 164 G N 0.587 109.461 108.800 0.124 0.000 2.619 164 G HA2 -0.152 3.809 3.960 0.000 0.000 0.686 164 G HA3 -0.152 3.809 3.960 0.000 0.000 0.686 164 G C -0.532 174.456 174.900 0.146 0.000 1.256 164 G CA -0.440 44.748 45.100 0.146 0.000 0.826 164 G HN 0.162 nan 8.290 nan 0.000 0.619 165 N N -1.134 117.650 118.700 0.140 0.000 2.707 165 N HA -0.215 4.526 4.740 0.000 0.000 0.253 165 N C 1.430 176.875 175.510 -0.108 0.000 0.998 165 N CA 1.801 54.846 53.050 -0.008 0.000 0.751 165 N CB -0.698 37.678 38.487 -0.186 0.000 0.920 165 N HN 0.635 nan 8.380 nan 0.000 0.539 166 M N -0.655 118.816 119.600 -0.214 0.000 2.236 166 M HA 0.068 4.549 4.480 0.000 0.000 0.266 166 M C 2.412 178.610 176.300 -0.170 0.000 1.070 166 M CA 1.721 56.962 55.300 -0.098 0.000 1.137 166 M CB -0.263 32.277 32.600 -0.100 0.000 1.378 166 M HN 0.339 nan 8.290 nan 0.000 0.426 167 G N 0.213 108.715 108.800 -0.497 0.000 2.440 167 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 167 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 167 G C 1.597 176.424 174.900 -0.123 0.000 1.154 167 G CA 0.801 45.791 45.100 -0.184 0.000 0.767 167 G HN 0.382 nan 8.290 nan 0.000 0.552 168 L N -1.097 119.945 121.223 -0.302 0.000 2.093 168 L HA 0.108 4.448 4.340 0.000 0.000 0.208 168 L C 2.648 179.250 176.870 -0.448 0.000 1.085 168 L CA 0.599 55.089 54.840 -0.584 0.000 0.755 168 L CB -0.281 41.014 42.059 -1.274 0.000 0.904 168 L HN 0.191 nan 8.230 nan 0.000 0.435 169 F N 0.280 120.080 119.950 -0.250 0.000 2.259 169 F HA -0.207 4.321 4.527 0.001 0.000 0.298 169 F C 2.273 178.127 175.800 0.091 0.000 1.088 169 F CA 0.750 58.754 58.000 0.007 0.000 1.358 169 F CB -0.043 38.967 39.000 0.017 0.000 1.040 169 F HN 0.150 nan 8.300 nan 0.000 0.505 170 D N 0.237 120.791 120.400 0.257 0.000 2.103 170 D HA -0.234 4.407 4.640 0.000 0.000 0.190 170 D C 2.108 178.574 176.300 0.276 0.000 0.997 170 D CA 1.480 55.672 54.000 0.320 0.000 0.833 170 D CB -0.793 40.201 40.800 0.323 0.000 0.961 170 D HN 0.345 nan 8.370 nan 0.000 0.447 171 Q N 0.284 120.160 119.800 0.128 0.000 2.096 171 Q HA -0.258 4.083 4.340 0.000 0.000 0.208 171 Q C 2.280 178.309 176.000 0.048 0.000 0.993 171 Q CA 1.626 57.438 55.803 0.015 0.000 0.862 171 Q CB -0.233 28.500 28.738 -0.007 0.000 0.915 171 Q HN 0.377 nan 8.270 nan 0.000 0.416 172 Q N 0.226 120.158 119.800 0.220 0.000 2.096 172 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 172 Q C 1.955 178.070 176.000 0.192 0.000 0.982 172 Q CA 1.177 57.132 55.803 0.254 0.000 0.850 172 Q CB -0.051 28.944 28.738 0.428 0.000 0.901 172 Q HN 0.282 nan 8.270 nan 0.000 0.422 173 L N -0.093 121.273 121.223 0.238 0.000 2.156 173 L HA 0.000 4.341 4.340 0.000 0.000 0.208 173 L C 2.057 179.027 176.870 0.166 0.000 1.095 173 L CA 1.723 56.718 54.840 0.257 0.000 0.770 173 L CB -0.623 41.651 42.059 0.359 0.000 0.914 173 L HN 0.254 nan 8.230 nan 0.000 0.439 174 A N -0.972 121.762 122.820 -0.143 0.000 2.015 174 A HA -0.118 4.202 4.320 0.000 0.000 0.219 174 A C 2.192 179.747 177.584 -0.049 0.000 1.163 174 A CA 1.450 53.226 52.037 -0.435 0.000 0.646 174 A CB -0.571 17.912 19.000 -0.862 0.000 0.806 174 A HN 0.440 nan 8.150 nan 0.000 0.448 175 L N -0.927 120.288 121.223 -0.013 0.000 2.023 175 L HA -0.219 4.121 4.340 0.000 0.000 0.205 175 L C 2.842 179.777 176.870 0.108 0.000 1.073 175 L CA 1.584 56.444 54.840 0.033 0.000 0.745 175 L CB -0.890 41.150 42.059 -0.031 0.000 0.900 175 L HN 0.508 nan 8.230 nan 0.000 0.435 176 Q N -1.049 118.829 119.800 0.131 0.000 2.170 176 Q HA -0.265 4.076 4.340 0.000 0.000 0.203 176 Q C 1.948 178.028 176.000 0.135 0.000 0.976 176 Q CA 1.870 57.749 55.803 0.125 0.000 0.858 176 Q CB -0.325 28.496 28.738 0.139 0.000 0.907 176 Q HN 0.517 nan 8.270 nan 0.000 0.433 177 W N 1.209 122.518 121.300 0.014 0.000 2.311 177 W HA -0.282 4.378 4.660 0.000 0.000 0.326 177 W C 2.054 178.567 176.519 -0.011 0.000 1.239 177 W CA 1.789 59.141 57.345 0.012 0.000 1.258 177 W CB -0.503 28.958 29.460 0.003 0.000 1.165 177 W HN -0.157 nan 8.180 nan 0.000 0.466 178 V N 1.176 121.311 119.914 0.368 0.000 2.250 178 V HA -0.446 3.674 4.120 0.000 0.000 0.250 178 V C 2.626 178.700 176.094 -0.033 0.000 1.060 178 V CA 2.430 64.838 62.300 0.179 0.000 1.030 178 V CB -1.263 30.676 31.823 0.194 0.000 0.643 178 V HN 0.299 nan 8.190 nan 0.000 0.445 179 Q N 0.088 119.890 119.800 0.003 0.000 2.062 179 Q HA -0.264 4.077 4.340 0.000 0.000 0.209 179 Q C 2.189 178.135 176.000 -0.090 0.000 0.996 179 Q CA 1.921 57.709 55.803 -0.024 0.000 0.859 179 Q CB -0.475 28.270 28.738 0.011 0.000 0.920 179 Q HN 0.619 nan 8.270 nan 0.000 0.415 180 K N -0.110 120.204 120.400 -0.144 0.000 2.525 180 K HA 0.032 4.353 4.320 0.000 0.000 0.192 180 K C 1.245 177.651 176.600 -0.324 0.000 1.029 180 K CA 0.339 56.509 56.287 -0.194 0.000 1.029 180 K CB 0.322 32.718 32.500 -0.174 0.000 0.814 180 K HN 0.152 nan 8.250 nan 0.000 0.503 181 N N -0.338 118.085 118.700 -0.463 0.000 2.663 181 N HA 0.016 4.757 4.740 0.000 0.000 0.250 181 N C 1.357 176.704 175.510 -0.273 0.000 1.043 181 N CA 0.098 52.793 53.050 -0.591 0.000 0.929 181 N CB -0.017 37.563 38.487 -1.511 0.000 1.665 181 N HN -0.072 nan 8.380 nan 0.000 0.484 182 I N 2.875 123.294 120.570 -0.252 0.000 2.381 182 I HA -0.242 3.929 4.170 0.000 0.000 0.255 182 I C 2.115 178.301 176.117 0.115 0.000 1.140 182 I CA 0.776 62.048 61.300 -0.047 0.000 1.404 182 I CB -0.350 37.630 38.000 -0.033 0.000 1.075 182 I HN 0.160 nan 8.210 nan 0.000 0.433 183 A N 0.284 123.127 122.820 0.038 0.000 1.892 183 A HA -0.230 4.091 4.320 0.000 0.000 0.218 183 A C 2.451 180.073 177.584 0.063 0.000 1.188 183 A CA 2.019 54.080 52.037 0.040 0.000 0.631 183 A CB -1.275 17.721 19.000 -0.008 0.000 0.822 183 A HN 0.504 nan 8.150 nan 0.000 0.447 184 A N -2.075 120.775 122.820 0.050 0.000 2.225 184 A HA 0.150 4.470 4.320 0.000 0.000 0.215 184 A C 1.507 179.006 177.584 -0.141 0.000 1.164 184 A CA 1.095 53.097 52.037 -0.058 0.000 0.710 184 A CB -0.667 18.245 19.000 -0.148 0.000 0.780 184 A HN 0.484 nan 8.150 nan 0.000 0.473 185 F N -1.126 118.785 119.950 -0.064 0.000 2.749 185 F HA 0.362 4.889 4.527 0.000 0.000 0.300 185 F C 1.686 177.489 175.800 0.006 0.000 1.103 185 F CA 0.325 58.299 58.000 -0.043 0.000 1.342 185 F CB 0.114 39.068 39.000 -0.078 0.000 1.098 185 F HN 0.299 nan 8.300 nan 0.000 0.586 186 G N 0.869 109.768 108.800 0.165 0.000 2.248 186 G HA2 -0.064 3.896 3.960 0.000 0.000 0.252 186 G HA3 -0.064 3.896 3.960 0.000 0.000 0.252 186 G C 0.337 175.306 174.900 0.116 0.000 1.085 186 G CA -0.220 44.949 45.100 0.114 0.000 0.845 186 G HN 0.716 nan 8.290 nan 0.000 0.494 187 G N -0.587 108.282 108.800 0.115 0.000 2.389 187 G HA2 0.549 4.509 3.960 0.000 0.000 0.328 187 G HA3 0.549 4.509 3.960 0.000 0.000 0.328 187 G C -0.153 174.778 174.900 0.052 0.000 1.133 187 G CA -0.352 44.797 45.100 0.081 0.000 0.891 187 G HN 0.450 nan 8.290 nan 0.000 0.485 188 N N 2.684 121.409 118.700 0.041 0.000 2.437 188 N HA 0.204 4.944 4.740 0.000 0.000 0.243 188 N C -1.374 174.149 175.510 0.022 0.000 1.041 188 N CA -1.975 51.091 53.050 0.026 0.000 0.940 188 N CB 2.030 40.530 38.487 0.021 0.000 1.133 188 N HN 0.134 nan 8.380 nan 0.000 0.506 189 P HA -0.136 nan 4.420 nan 0.000 0.221 189 P C 0.556 177.863 177.300 0.011 0.000 1.145 189 P CA 1.210 64.318 63.100 0.013 0.000 0.795 189 P CB 0.332 32.031 31.700 -0.002 0.000 0.775 190 K N -0.448 119.954 120.400 0.003 0.000 2.418 190 K HA 0.066 4.386 4.320 0.000 0.000 0.195 190 K C 0.899 177.492 176.600 -0.011 0.000 1.035 190 K CA 0.343 56.626 56.287 -0.008 0.000 1.003 190 K CB 0.137 32.631 32.500 -0.009 0.000 0.793 190 K HN -0.020 nan 8.250 nan 0.000 0.494 191 S N 1.107 116.807 115.700 -0.001 0.000 2.269 191 S HA 0.292 4.762 4.470 0.000 0.000 0.194 191 S C -0.903 173.702 174.600 0.009 0.000 1.547 191 S CA -0.739 57.454 58.200 -0.011 0.000 1.186 191 S CB 0.372 63.558 63.200 -0.023 0.000 1.069 191 S HN -0.131 nan 8.310 nan 0.000 0.473 192 V N 3.607 123.544 119.914 0.039 0.000 2.495 192 V HA 0.622 4.743 4.120 0.000 0.000 0.298 192 V C -0.023 176.153 176.094 0.137 0.000 1.031 192 V CA -0.539 61.814 62.300 0.088 0.000 0.871 192 V CB 2.052 33.948 31.823 0.120 0.000 0.988 192 V HN 0.745 nan 8.190 nan 0.000 0.432 193 T N 5.770 120.400 114.554 0.125 0.000 2.848 193 T HA 0.634 4.984 4.350 0.000 0.000 0.285 193 T C -0.482 174.329 174.700 0.185 0.000 0.995 193 T CA -0.426 61.772 62.100 0.164 0.000 0.970 193 T CB 1.227 70.148 68.868 0.088 0.000 0.976 193 T HN 0.356 nan 8.240 nan 0.000 0.441 194 L N 4.291 125.626 121.223 0.187 0.000 2.325 194 L HA 0.773 5.113 4.340 0.000 0.000 0.279 194 L C -0.604 176.463 176.870 0.329 0.000 1.054 194 L CA -0.960 53.973 54.840 0.154 0.000 0.804 194 L CB 0.702 42.653 42.059 -0.180 0.000 1.200 194 L HN 0.641 nan 8.230 nan 0.000 0.436 195 F N -0.011 119.957 119.950 0.030 0.000 2.645 195 F HA 0.974 5.501 4.527 0.000 0.000 0.310 195 F C -0.328 175.363 175.800 -0.183 0.000 1.102 195 F CA -1.707 56.336 58.000 0.072 0.000 0.952 195 F CB 1.529 40.706 39.000 0.296 0.000 1.326 195 F HN 0.535 nan 8.300 nan 0.000 0.456 196 G N 0.576 109.179 108.800 -0.328 0.000 2.466 196 G HA2 0.451 4.411 3.960 0.000 0.000 0.291 196 G HA3 0.451 4.411 3.960 0.000 0.000 0.291 196 G C -2.431 172.234 174.900 -0.391 0.000 1.460 196 G CA -0.755 43.713 45.100 -1.053 0.000 0.791 196 G HN 0.933 nan 8.290 nan 0.000 0.505 197 E N -0.198 119.782 120.200 -0.367 0.000 2.390 197 E HA 0.639 4.989 4.350 0.000 0.000 0.249 197 E C 1.459 177.994 176.600 -0.109 0.000 0.981 197 E CA 0.342 56.699 56.400 -0.072 0.000 0.860 197 E CB 1.988 31.748 29.700 0.100 0.000 1.278 197 E HN 1.058 nan 8.360 nan 0.000 0.416 198 S N 0.682 116.348 115.700 -0.058 0.000 4.136 198 S HA -0.410 4.060 4.470 0.000 0.000 0.538 198 S C 1.598 176.255 174.600 0.094 0.000 0.962 198 S CA 3.373 61.608 58.200 0.058 0.000 3.423 198 S CB -1.570 61.639 63.200 0.015 0.000 2.319 198 S HN 0.811 nan 8.310 nan 0.000 0.464 199 A N 0.919 123.638 122.820 -0.168 0.000 2.014 199 A HA 0.346 4.666 4.320 0.000 0.000 0.218 199 A C 2.509 179.859 177.584 -0.389 0.000 1.163 199 A CA 1.684 53.471 52.037 -0.417 0.000 0.652 199 A CB -1.443 16.805 19.000 -1.254 0.000 0.808 199 A HN 1.419 nan 8.150 nan 0.000 0.449 200 G N -0.683 107.911 108.800 -0.342 0.000 2.484 200 G HA2 0.128 4.088 3.960 0.000 0.000 0.218 200 G HA3 0.128 4.088 3.960 0.000 0.000 0.218 200 G C 1.541 176.249 174.900 -0.320 0.000 1.130 200 G CA 1.135 45.986 45.100 -0.416 0.000 0.784 200 G HN 0.666 nan 8.290 nan 0.000 0.543 201 A N 1.373 124.074 122.820 -0.199 0.000 1.854 201 A HA 0.372 4.692 4.320 0.000 0.000 0.214 201 A C 2.841 180.354 177.584 -0.118 0.000 1.192 201 A CA 1.973 53.930 52.037 -0.134 0.000 0.611 201 A CB -0.972 17.992 19.000 -0.060 0.000 0.832 201 A HN 0.707 nan 8.150 nan 0.000 0.442 202 A N -0.250 122.554 122.820 -0.026 0.000 1.884 202 A HA -0.201 4.120 4.320 0.000 0.000 0.219 202 A C 2.459 180.079 177.584 0.060 0.000 1.197 202 A CA 2.507 54.557 52.037 0.022 0.000 0.637 202 A CB -1.225 17.898 19.000 0.205 0.000 0.827 202 A HN 0.465 nan 8.150 nan 0.000 0.450 203 S N -0.706 115.024 115.700 0.049 0.000 2.369 203 S HA -0.199 4.271 4.470 0.000 0.000 0.225 203 S C 1.934 176.502 174.600 -0.053 0.000 1.043 203 S CA 1.666 59.845 58.200 -0.035 0.000 1.074 203 S CB -0.738 62.365 63.200 -0.163 0.000 0.962 203 S HN 0.379 nan 8.310 nan 0.000 0.433 204 V N 2.263 122.150 119.914 -0.045 0.000 2.252 204 V HA -0.228 3.893 4.120 0.000 0.000 0.249 204 V C 2.700 178.813 176.094 0.031 0.000 1.056 204 V CA 2.152 64.439 62.300 -0.021 0.000 1.022 204 V CB -1.210 30.555 31.823 -0.097 0.000 0.641 204 V HN 0.752 nan 8.190 nan 0.000 0.445 205 S N -0.432 115.257 115.700 -0.019 0.000 2.442 205 S HA -0.124 4.346 4.470 0.000 0.000 0.236 205 S C 1.863 176.652 174.600 0.315 0.000 1.007 205 S CA 1.545 59.780 58.200 0.059 0.000 0.965 205 S CB -0.558 62.458 63.200 -0.308 0.000 0.773 205 S HN 0.547 nan 8.310 nan 0.000 0.504 206 L N 0.178 121.512 121.223 0.186 0.000 2.270 206 L HA 0.075 4.415 4.340 0.000 0.000 0.210 206 L C 2.752 179.671 176.870 0.081 0.000 1.104 206 L CA 0.865 55.770 54.840 0.110 0.000 0.804 206 L CB -0.513 41.593 42.059 0.078 0.000 0.937 206 L HN 0.361 nan 8.230 nan 0.000 0.450 207 H N 0.010 119.162 119.070 0.137 0.000 2.457 207 H HA -0.033 4.524 4.556 0.000 0.000 0.294 207 H C 2.252 177.756 175.328 0.294 0.000 1.064 207 H CA 1.087 57.187 56.048 0.086 0.000 1.330 207 H CB 0.127 29.787 29.762 -0.171 0.000 1.395 207 H HN 0.312 nan 8.280 nan 0.000 0.541 208 L N 0.103 121.616 121.223 0.483 0.000 2.275 208 L HA -0.128 4.213 4.340 0.000 0.000 0.215 208 L C 2.073 179.185 176.870 0.403 0.000 1.119 208 L CA 0.693 55.868 54.840 0.558 0.000 0.790 208 L CB -0.103 42.294 42.059 0.563 0.000 0.919 208 L HN 0.173 nan 8.230 nan 0.000 0.443 209 L N -2.121 119.242 121.223 0.233 0.000 2.408 209 L HA 0.096 4.436 4.340 0.000 0.000 0.215 209 L C 1.403 178.239 176.870 -0.056 0.000 1.081 209 L CA -0.102 54.791 54.840 0.087 0.000 0.840 209 L CB -0.051 41.975 42.059 -0.054 0.000 1.002 209 L HN 0.025 nan 8.230 nan 0.000 0.468 210 S N 1.722 117.313 115.700 -0.182 0.000 2.465 210 S HA 0.118 4.588 4.470 0.000 0.000 0.280 210 S C -1.190 173.305 174.600 -0.175 0.000 1.232 210 S CA -1.383 56.552 58.200 -0.442 0.000 1.066 210 S CB 0.679 63.152 63.200 -1.211 0.000 0.929 210 S HN -0.020 nan 8.310 nan 0.000 0.494 211 P HA -0.084 nan 4.420 nan 0.000 0.215 211 P C 1.662 178.967 177.300 0.008 0.000 1.157 211 P CA 1.665 64.736 63.100 -0.047 0.000 0.874 211 P CB -0.477 31.179 31.700 -0.072 0.000 0.790 212 G N -0.274 108.497 108.800 -0.048 0.000 2.507 212 G HA2 -0.265 3.695 3.960 0.000 0.000 0.221 212 G HA3 -0.265 3.695 3.960 0.000 0.000 0.221 212 G C 1.711 176.666 174.900 0.092 0.000 1.119 212 G CA 1.122 46.245 45.100 0.038 0.000 0.751 212 G HN 0.283 nan 8.290 nan 0.000 0.574 213 S N -0.784 114.966 115.700 0.083 0.000 2.478 213 S HA 0.058 4.528 4.470 0.000 0.000 0.222 213 S C 1.793 176.552 174.600 0.266 0.000 1.008 213 S CA 0.555 58.887 58.200 0.220 0.000 0.928 213 S CB -0.192 63.214 63.200 0.343 0.000 0.781 213 S HN 0.687 nan 8.310 nan 0.000 0.518 214 H N 2.927 122.060 119.070 0.105 0.000 2.368 214 H HA -0.128 4.428 4.556 0.000 0.000 0.292 214 H C 0.837 176.135 175.328 -0.050 0.000 1.117 214 H CA 1.773 57.837 56.048 0.026 0.000 1.231 214 H CB -0.077 29.677 29.762 -0.014 0.000 1.359 214 H HN 0.359 nan 8.280 nan 0.000 0.490 215 S N -0.677 115.003 115.700 -0.034 0.000 2.217 215 S HA 0.394 4.865 4.470 0.000 0.000 0.168 215 S C 0.073 174.681 174.600 0.014 0.000 1.526 215 S CA -0.651 57.489 58.200 -0.099 0.000 1.150 215 S CB 0.202 63.400 63.200 -0.004 0.000 1.158 215 S HN 0.415 nan 8.310 nan 0.000 0.473 216 L N 0.858 122.126 121.223 0.075 0.000 3.689 216 L HA 0.463 4.804 4.340 0.000 0.000 0.344 216 L C -0.578 176.460 176.870 0.280 0.000 1.221 216 L CA -0.357 54.579 54.840 0.159 0.000 1.171 216 L CB 0.444 42.601 42.059 0.163 0.000 1.540 216 L HN 0.645 nan 8.230 nan 0.000 0.631 217 F N -3.563 116.353 119.950 -0.057 0.000 2.745 217 F HA 0.658 5.185 4.527 0.000 0.000 0.316 217 F C 0.369 176.141 175.800 -0.046 0.000 1.155 217 F CA -0.768 57.209 58.000 -0.039 0.000 0.937 217 F CB 0.771 39.757 39.000 -0.023 0.000 1.361 217 F HN -0.285 nan 8.300 nan 0.000 0.472 218 T N -0.782 113.757 114.554 -0.026 0.000 3.085 218 T HA 0.411 4.762 4.350 0.000 0.000 0.241 218 T C 0.426 175.080 174.700 -0.076 0.000 0.988 218 T CA 0.282 62.304 62.100 -0.129 0.000 1.117 218 T CB 0.189 69.023 68.868 -0.057 0.000 0.978 218 T HN 0.489 nan 8.240 nan 0.000 0.454 219 R N -0.156 120.434 120.500 0.150 0.000 2.817 219 R HA 0.795 5.135 4.340 0.000 0.000 0.268 219 R C -1.867 174.705 176.300 0.454 0.000 1.027 219 R CA -0.846 55.386 56.100 0.219 0.000 0.928 219 R CB 2.149 32.436 30.300 -0.021 0.000 1.228 219 R HN 0.246 nan 8.270 nan 0.000 0.469 220 A N 1.660 124.760 122.820 0.468 0.000 2.465 220 A HA 0.539 4.859 4.320 0.000 0.000 0.292 220 A C -1.040 176.645 177.584 0.169 0.000 1.041 220 A CA -0.614 51.621 52.037 0.330 0.000 0.718 220 A CB 0.898 20.094 19.000 0.327 0.000 1.266 220 A HN 0.562 nan 8.150 nan 0.000 0.403 221 I N 1.870 122.497 120.570 0.095 0.000 2.392 221 I HA 0.452 4.622 4.170 0.000 0.000 0.295 221 I C -0.949 175.189 176.117 0.035 0.000 0.985 221 I CA -0.676 60.598 61.300 -0.042 0.000 1.221 221 I CB 1.656 39.627 38.000 -0.048 0.000 1.366 221 I HN 0.473 nan 8.210 nan 0.000 0.467 222 L N 6.310 127.517 121.223 -0.028 0.000 2.401 222 L HA 0.323 4.663 4.340 0.000 0.000 0.263 222 L C -0.570 176.287 176.870 -0.022 0.000 1.004 222 L CA -0.046 54.756 54.840 -0.063 0.000 0.881 222 L CB 1.342 43.287 42.059 -0.190 0.000 1.219 222 L HN 0.513 nan 8.230 nan 0.000 0.441 223 Q N 2.284 122.132 119.800 0.081 0.000 2.465 223 Q HA 0.430 4.770 4.340 0.000 0.000 0.237 223 Q C -0.003 176.027 176.000 0.051 0.000 1.051 223 Q CA -0.417 55.483 55.803 0.161 0.000 0.874 223 Q CB 0.914 29.847 28.738 0.325 0.000 1.207 223 Q HN 0.603 nan 8.270 nan 0.000 0.508 224 S N 0.708 116.412 115.700 0.006 0.000 3.858 224 S HA -0.108 4.362 4.470 0.000 0.000 0.356 224 S C 0.042 174.772 174.600 0.216 0.000 1.013 224 S CA 0.348 58.581 58.200 0.054 0.000 1.083 224 S CB -1.360 61.797 63.200 -0.072 0.000 0.883 224 S HN 1.017 nan 8.310 nan 0.000 0.475 225 G N -0.444 108.464 108.800 0.180 0.000 2.411 225 G HA2 0.698 4.658 3.960 0.000 0.000 0.295 225 G HA3 0.698 4.658 3.960 0.000 0.000 0.295 225 G C -1.000 173.835 174.900 -0.109 0.000 1.542 225 G CA 0.273 45.525 45.100 0.254 0.000 0.814 225 G HN 1.553 nan 8.290 nan 0.000 0.557 226 S N -1.007 114.523 115.700 -0.283 0.000 2.586 226 S HA 0.489 4.959 4.470 0.000 0.000 0.277 226 S C 0.672 174.926 174.600 -0.577 0.000 1.131 226 S CA -0.089 57.752 58.200 -0.599 0.000 0.848 226 S CB 0.587 63.250 63.200 -0.895 0.000 1.091 226 S HN 1.962 nan 8.310 nan 0.000 0.453 227 F N 1.786 121.525 119.950 -0.350 0.000 2.192 227 F HA -0.097 4.430 4.527 0.001 0.000 0.301 227 F C 1.907 177.534 175.800 -0.288 0.000 1.079 227 F CA 1.533 59.375 58.000 -0.263 0.000 1.303 227 F CB -0.719 38.201 39.000 -0.133 0.000 1.024 227 F HN 0.691 nan 8.300 nan 0.000 0.494 228 N N 1.871 120.324 118.700 -0.411 0.000 2.515 228 N HA 0.049 4.789 4.740 0.000 0.000 0.185 228 N C 0.596 175.895 175.510 -0.351 0.000 1.109 228 N CA 0.632 53.557 53.050 -0.209 0.000 0.903 228 N CB -0.592 37.777 38.487 -0.198 0.000 0.969 228 N HN 0.411 nan 8.380 nan 0.000 0.450 229 A N 1.990 124.458 122.820 -0.587 0.000 2.498 229 A HA 0.242 4.563 4.320 0.000 0.000 0.239 229 A C -1.067 175.978 177.584 -0.899 0.000 1.068 229 A CA -0.928 50.608 52.037 -0.834 0.000 0.766 229 A CB 0.175 18.452 19.000 -1.205 0.000 1.003 229 A HN 0.066 nan 8.150 nan 0.000 0.497 230 P HA -0.201 nan 4.420 nan 0.000 0.216 230 P C 1.412 178.512 177.300 -0.333 0.000 1.157 230 P CA 2.118 64.942 63.100 -0.460 0.000 0.880 230 P CB -0.183 31.210 31.700 -0.512 0.000 0.791 231 W N -0.950 120.204 121.300 -0.244 0.000 2.595 231 W HA 0.274 4.934 4.660 0.000 0.000 0.257 231 W C 1.590 178.071 176.519 -0.063 0.000 1.267 231 W CA 0.672 57.925 57.345 -0.154 0.000 1.300 231 W CB -1.670 27.672 29.460 -0.195 0.000 1.120 231 W HN -0.095 nan 8.180 nan 0.000 0.618 232 A N 1.219 123.783 122.820 -0.427 0.000 1.930 232 A HA 0.200 4.520 4.320 0.000 0.000 0.215 232 A C 0.993 178.502 177.584 -0.125 0.000 1.176 232 A CA 1.028 52.932 52.037 -0.222 0.000 0.632 232 A CB -0.583 18.061 19.000 -0.592 0.000 0.819 232 A HN 0.011 nan 8.150 nan 0.000 0.445 233 V N 0.419 120.248 119.914 -0.142 0.000 2.680 233 V HA 0.453 4.574 4.120 0.000 0.000 0.309 233 V C -0.434 175.606 176.094 -0.090 0.000 1.052 233 V CA -0.598 61.627 62.300 -0.126 0.000 0.908 233 V CB 1.905 33.676 31.823 -0.087 0.000 1.001 233 V HN 0.304 nan 8.190 nan 0.000 0.431 234 T N 2.003 116.498 114.554 -0.098 0.000 2.859 234 T HA 0.487 4.837 4.350 0.000 0.000 0.281 234 T C 0.244 174.922 174.700 -0.037 0.000 1.005 234 T CA -0.434 61.629 62.100 -0.061 0.000 1.025 234 T CB 1.590 70.408 68.868 -0.082 0.000 0.977 234 T HN 0.880 nan 8.240 nan 0.000 0.458 235 S N 1.901 117.604 115.700 0.006 0.000 2.617 235 S HA 0.286 4.756 4.470 0.000 0.000 0.259 235 S C 1.193 175.774 174.600 -0.033 0.000 1.301 235 S CA -0.673 57.537 58.200 0.016 0.000 0.984 235 S CB 0.127 63.419 63.200 0.154 0.000 0.954 235 S HN 0.612 nan 8.310 nan 0.000 0.572 236 L N 0.353 121.489 121.223 -0.145 0.000 2.162 236 L HA 0.052 4.393 4.340 0.000 0.000 0.205 236 L C 2.174 178.971 176.870 -0.121 0.000 1.086 236 L CA 0.748 55.488 54.840 -0.168 0.000 0.778 236 L CB -0.619 41.294 42.059 -0.244 0.000 0.928 236 L HN 0.778 nan 8.230 nan 0.000 0.446 237 Y N -0.024 120.273 120.300 -0.005 0.000 2.036 237 Y HA -0.306 4.244 4.550 0.000 0.000 0.273 237 Y C 2.597 178.490 175.900 -0.012 0.000 1.135 237 Y CA 1.410 59.507 58.100 -0.005 0.000 1.106 237 Y CB -0.945 37.513 38.460 -0.003 0.000 0.976 237 Y HN 0.075 nan 8.280 nan 0.000 0.483 238 E N 0.278 120.609 120.200 0.218 0.000 2.169 238 E HA -0.314 4.036 4.350 0.000 0.000 0.202 238 E C 2.199 178.807 176.600 0.013 0.000 1.016 238 E CA 1.396 57.850 56.400 0.090 0.000 0.817 238 E CB -0.294 29.454 29.700 0.080 0.000 0.736 238 E HN 0.511 nan 8.360 nan 0.000 0.462 239 A N 0.312 123.134 122.820 0.004 0.000 2.072 239 A HA -0.028 4.292 4.320 0.000 0.000 0.216 239 A C 2.008 179.599 177.584 0.012 0.000 1.156 239 A CA 0.726 52.748 52.037 -0.026 0.000 0.701 239 A CB -0.154 18.840 19.000 -0.010 0.000 0.816 239 A HN 0.113 nan 8.150 nan 0.000 0.458 240 R N -0.138 120.377 120.500 0.025 0.000 2.093 240 R HA -0.099 4.241 4.340 0.000 0.000 0.224 240 R C 1.977 178.298 176.300 0.035 0.000 1.101 240 R CA 1.368 57.488 56.100 0.034 0.000 0.979 240 R CB -0.292 30.024 30.300 0.028 0.000 0.877 240 R HN 0.548 nan 8.270 nan 0.000 0.441 241 N N 0.567 119.286 118.700 0.033 0.000 2.104 241 N HA -0.179 4.561 4.740 0.000 0.000 0.190 241 N C 1.613 177.132 175.510 0.015 0.000 1.024 241 N CA 1.659 54.723 53.050 0.024 0.000 0.853 241 N CB 0.088 38.588 38.487 0.022 0.000 1.008 241 N HN 0.182 nan 8.380 nan 0.000 0.424 242 R N -1.171 119.320 120.500 -0.016 0.000 2.090 242 R HA 0.037 4.377 4.340 0.000 0.000 0.228 242 R C 1.993 178.358 176.300 0.108 0.000 1.110 242 R CA 1.530 57.603 56.100 -0.046 0.000 0.973 242 R CB -0.399 29.724 30.300 -0.295 0.000 0.869 242 R HN 0.209 nan 8.270 nan 0.000 0.440 243 T N 1.513 116.158 114.554 0.152 0.000 2.777 243 T HA -0.042 4.308 4.350 0.000 0.000 0.266 243 T C 1.821 176.585 174.700 0.107 0.000 1.040 243 T CA 0.854 63.077 62.100 0.204 0.000 1.141 243 T CB -0.078 68.869 68.868 0.131 0.000 0.868 243 T HN 0.090 nan 8.240 nan 0.000 0.444 244 L N 1.238 122.500 121.223 0.066 0.000 1.955 244 L HA -0.186 4.154 4.340 0.000 0.000 0.213 244 L C 2.566 179.469 176.870 0.054 0.000 1.072 244 L CA 1.362 56.228 54.840 0.044 0.000 0.755 244 L CB -0.742 41.336 42.059 0.031 0.000 0.888 244 L HN 0.226 nan 8.230 nan 0.000 0.432 245 N N 0.132 118.866 118.700 0.058 0.000 2.133 245 N HA -0.251 4.489 4.740 0.000 0.000 0.193 245 N C 1.650 177.216 175.510 0.095 0.000 1.012 245 N CA 1.343 54.431 53.050 0.063 0.000 0.871 245 N CB -0.546 37.975 38.487 0.056 0.000 1.011 245 N HN 0.196 nan 8.380 nan 0.000 0.435 246 L N 0.550 121.855 121.223 0.137 0.000 2.056 246 L HA 0.001 4.341 4.340 0.000 0.000 0.207 246 L C 2.093 179.019 176.870 0.093 0.000 1.078 246 L CA 1.549 56.484 54.840 0.158 0.000 0.749 246 L CB -0.772 41.425 42.059 0.230 0.000 0.901 246 L HN 0.150 nan 8.230 nan 0.000 0.433 247 A N -0.660 122.197 122.820 0.061 0.000 1.877 247 A HA -0.224 4.096 4.320 0.000 0.000 0.216 247 A C 2.270 179.872 177.584 0.030 0.000 1.186 247 A CA 1.902 53.958 52.037 0.032 0.000 0.620 247 A CB -0.538 18.470 19.000 0.013 0.000 0.822 247 A HN 0.381 nan 8.150 nan 0.000 0.443 248 K N -0.144 120.273 120.400 0.030 0.000 2.001 248 K HA -0.075 4.245 4.320 0.000 0.000 0.214 248 K C 1.708 178.321 176.600 0.022 0.000 1.050 248 K CA 1.570 57.870 56.287 0.021 0.000 0.934 248 K CB -0.685 31.825 32.500 0.017 0.000 0.718 248 K HN 0.427 nan 8.250 nan 0.000 0.443 249 L N 0.078 121.322 121.223 0.034 0.000 2.349 249 L HA -0.160 4.180 4.340 0.000 0.000 0.220 249 L C 1.600 178.489 176.870 0.032 0.000 1.130 249 L CA 1.183 56.041 54.840 0.029 0.000 0.791 249 L CB -0.202 41.894 42.059 0.062 0.000 0.918 249 L HN 0.256 nan 8.230 nan 0.000 0.444 250 T N -1.920 112.658 114.554 0.040 0.000 3.266 250 T HA 0.340 4.690 4.350 0.000 0.000 0.278 250 T C 1.207 175.923 174.700 0.026 0.000 1.010 250 T CA 0.450 62.573 62.100 0.038 0.000 0.909 250 T CB 0.076 68.976 68.868 0.053 0.000 1.122 250 T HN 0.525 nan 8.240 nan 0.000 0.536 251 G N 0.675 109.485 108.800 0.018 0.000 2.562 251 G HA2 -0.380 3.580 3.960 0.000 0.000 0.241 251 G HA3 -0.380 3.580 3.960 0.000 0.000 0.241 251 G C 1.505 176.413 174.900 0.013 0.000 1.120 251 G CA 0.436 45.544 45.100 0.013 0.000 0.673 251 G HN 0.624 nan 8.290 nan 0.000 0.519 252 c N 3.140 121.750 118.600 0.017 0.000 2.343 252 c HA 0.119 4.689 4.570 0.000 0.000 0.324 252 c C 1.947 176.042 174.090 0.008 0.000 1.423 252 c CA 0.917 57.254 56.329 0.013 0.000 1.797 252 c CB -2.023 40.495 42.510 0.013 0.000 1.719 252 c HN 0.712 nan 8.230 nan 0.000 0.582 253 S N 1.141 116.847 115.700 0.009 0.000 2.629 253 S HA 0.261 4.731 4.470 0.000 0.000 0.302 253 S C 0.198 174.802 174.600 0.005 0.000 1.244 253 S CA 0.238 58.442 58.200 0.007 0.000 1.098 253 S CB 0.782 63.986 63.200 0.008 0.000 0.858 253 S HN 0.499 nan 8.310 nan 0.000 0.502 254 R N 1.857 122.359 120.500 0.003 0.000 3.151 254 R HA 0.570 4.910 4.340 0.000 0.000 0.231 254 R C 0.787 177.089 176.300 0.003 0.000 1.511 254 R CA -0.715 55.387 56.100 0.003 0.000 1.047 254 R CB 0.237 30.538 30.300 0.001 0.000 1.565 254 R HN 0.575 nan 8.270 nan 0.000 0.513 255 E N -0.419 119.782 120.200 0.003 0.000 2.110 255 E HA 0.245 4.596 4.350 0.000 0.000 0.194 255 E C -0.329 176.272 176.600 0.002 0.000 0.944 255 E CA 0.199 56.600 56.400 0.003 0.000 0.899 255 E CB -0.053 29.649 29.700 0.003 0.000 0.907 255 E HN 0.330 nan 8.360 nan 0.000 0.473 256 N N 2.449 121.150 118.700 0.001 0.000 2.452 256 N HA -0.046 4.694 4.740 0.000 0.000 0.266 256 N C 0.611 176.119 175.510 -0.002 0.000 1.175 256 N CA 0.040 53.090 53.050 0.000 0.000 0.945 256 N CB 0.738 39.226 38.487 0.001 0.000 1.063 256 N HN 0.285 nan 8.380 nan 0.000 0.472 257 E N 2.259 122.457 120.200 -0.004 0.000 2.338 257 E HA -0.144 4.206 4.350 0.000 0.000 0.197 257 E C 0.491 177.083 176.600 -0.015 0.000 1.007 257 E CA 1.066 57.460 56.400 -0.009 0.000 0.849 257 E CB 0.203 29.898 29.700 -0.008 0.000 0.774 257 E HN 0.491 nan 8.360 nan 0.000 0.506 258 T N 0.902 115.450 114.554 -0.009 0.000 2.942 258 T HA -0.042 4.308 4.350 0.000 0.000 0.265 258 T C 1.351 176.048 174.700 -0.005 0.000 1.062 258 T CA 0.838 62.934 62.100 -0.008 0.000 1.139 258 T CB -0.043 68.824 68.868 -0.001 0.000 0.883 258 T HN 0.270 nan 8.240 nan 0.000 0.468 259 E N 0.706 120.904 120.200 -0.003 0.000 2.333 259 E HA -0.047 4.303 4.350 0.000 0.000 0.198 259 E C 1.841 178.439 176.600 -0.003 0.000 1.007 259 E CA 0.661 57.061 56.400 0.001 0.000 0.845 259 E CB -0.239 29.463 29.700 0.002 0.000 0.766 259 E HN 0.554 nan 8.360 nan 0.000 0.507 260 I N 0.572 121.133 120.570 -0.014 0.000 2.439 260 I HA -0.200 3.970 4.170 0.000 0.000 0.251 260 I C 1.964 178.055 176.117 -0.044 0.000 1.139 260 I CA 0.453 61.736 61.300 -0.027 0.000 1.438 260 I CB -0.089 37.888 38.000 -0.038 0.000 1.085 260 I HN 0.109 nan 8.210 nan 0.000 0.427 261 I N 1.027 121.571 120.570 -0.043 0.000 2.333 261 I HA -0.144 4.026 4.170 0.000 0.000 0.246 261 I C 2.344 178.483 176.117 0.036 0.000 1.106 261 I CA 1.322 62.599 61.300 -0.038 0.000 1.411 261 I CB -1.187 36.792 38.000 -0.034 0.000 1.082 261 I HN 0.171 nan 8.210 nan 0.000 0.420 262 K N 0.016 120.434 120.400 0.029 0.000 2.160 262 K HA -0.230 4.091 4.320 0.000 0.000 0.206 262 K C 2.341 178.968 176.600 0.045 0.000 1.047 262 K CA 1.546 57.856 56.287 0.039 0.000 0.930 262 K CB -0.304 32.211 32.500 0.024 0.000 0.720 262 K HN 0.355 nan 8.250 nan 0.000 0.450 263 c N 0.470 119.090 118.600 0.033 0.000 2.466 263 c HA 0.023 4.594 4.570 0.000 0.000 0.278 263 c C 2.289 176.414 174.090 0.059 0.000 1.288 263 c CA 0.461 56.811 56.329 0.034 0.000 1.722 263 c CB -0.638 41.883 42.510 0.017 0.000 2.017 263 c HN 0.395 nan 8.230 nan 0.000 0.488 264 L N -0.233 121.036 121.223 0.077 0.000 2.249 264 L HA 0.108 4.448 4.340 0.000 0.000 0.207 264 L C 2.809 179.862 176.870 0.304 0.000 1.090 264 L CA 0.605 55.544 54.840 0.166 0.000 0.802 264 L CB -0.669 41.433 42.059 0.071 0.000 0.947 264 L HN 0.199 nan 8.230 nan 0.000 0.453 265 R N 0.125 120.786 120.500 0.268 0.000 2.261 265 R HA -0.174 4.166 4.340 0.000 0.000 0.236 265 R C 1.532 177.885 176.300 0.089 0.000 1.141 265 R CA 1.121 57.332 56.100 0.186 0.000 1.001 265 R CB -0.155 30.225 30.300 0.134 0.000 0.866 265 R HN 0.390 nan 8.270 nan 0.000 0.468 266 N N -0.042 118.709 118.700 0.085 0.000 2.322 266 N HA -0.027 4.713 4.740 0.000 0.000 0.186 266 N C -0.190 175.348 175.510 0.047 0.000 1.037 266 N CA 0.676 53.757 53.050 0.051 0.000 0.869 266 N CB 0.109 38.622 38.487 0.043 0.000 1.036 266 N HN -0.175 nan 8.380 nan 0.000 0.439 267 K N 2.624 123.062 120.400 0.063 0.000 2.550 267 K HA -0.073 4.247 4.320 0.000 0.000 0.280 267 K C -0.476 176.148 176.600 0.040 0.000 0.987 267 K CA 0.391 56.710 56.287 0.054 0.000 1.048 267 K CB -0.240 32.302 32.500 0.070 0.000 0.879 267 K HN 0.283 nan 8.250 nan 0.000 0.491 268 D N 3.964 124.382 120.400 0.030 0.000 2.703 268 D HA -0.124 4.516 4.640 0.000 0.000 0.225 268 D C -1.346 174.965 176.300 0.019 0.000 1.119 268 D CA -0.408 53.605 54.000 0.021 0.000 0.845 268 D CB 0.455 41.269 40.800 0.023 0.000 1.182 268 D HN 0.202 nan 8.370 nan 0.000 0.493 269 P HA -0.196 nan 4.420 nan 0.000 0.216 269 P C 1.317 178.627 177.300 0.017 0.000 1.157 269 P CA 1.287 64.383 63.100 -0.007 0.000 0.880 269 P CB 0.241 31.930 31.700 -0.019 0.000 0.791 270 Q N -0.684 119.129 119.800 0.023 0.000 2.291 270 Q HA -0.190 4.151 4.340 0.000 0.000 0.206 270 Q C 2.108 178.138 176.000 0.051 0.000 0.976 270 Q CA 1.155 56.979 55.803 0.035 0.000 0.875 270 Q CB -0.393 28.363 28.738 0.030 0.000 0.927 270 Q HN 0.499 nan 8.270 nan 0.000 0.450 271 E N 0.439 120.669 120.200 0.051 0.000 2.107 271 E HA -0.095 4.256 4.350 0.000 0.000 0.191 271 E C 1.910 178.560 176.600 0.084 0.000 0.982 271 E CA 0.379 56.818 56.400 0.065 0.000 0.809 271 E CB 0.077 29.810 29.700 0.055 0.000 0.756 271 E HN 0.282 nan 8.360 nan 0.000 0.459 272 I N 0.664 121.280 120.570 0.077 0.000 2.252 272 I HA -0.260 3.910 4.170 0.000 0.000 0.245 272 I C 2.229 178.400 176.117 0.090 0.000 1.102 272 I CA 0.815 62.167 61.300 0.087 0.000 1.385 272 I CB -0.129 37.920 38.000 0.083 0.000 1.064 272 I HN 0.168 nan 8.210 nan 0.000 0.414 273 L N 0.053 121.320 121.223 0.073 0.000 2.131 273 L HA -0.220 4.120 4.340 0.000 0.000 0.210 273 L C 2.475 179.405 176.870 0.100 0.000 1.092 273 L CA 1.008 55.893 54.840 0.075 0.000 0.759 273 L CB -0.396 41.696 42.059 0.056 0.000 0.903 273 L HN 0.345 nan 8.230 nan 0.000 0.435 274 L N -0.168 121.129 121.223 0.123 0.000 2.093 274 L HA -0.192 4.149 4.340 0.000 0.000 0.208 274 L C 1.727 178.772 176.870 0.292 0.000 1.085 274 L CA 1.781 56.727 54.840 0.177 0.000 0.755 274 L CB -0.224 41.932 42.059 0.162 0.000 0.904 274 L HN 0.392 nan 8.230 nan 0.000 0.435 275 N N -0.555 118.317 118.700 0.286 0.000 2.415 275 N HA -0.090 4.650 4.740 0.000 0.000 0.176 275 N C 1.462 177.180 175.510 0.348 0.000 1.042 275 N CA 0.241 53.552 53.050 0.435 0.000 0.902 275 N CB 0.143 38.798 38.487 0.281 0.000 0.986 275 N HN 0.234 nan 8.380 nan 0.000 0.447 276 E N 0.971 121.311 120.200 0.233 0.000 2.108 276 E HA -0.287 4.064 4.350 0.000 0.000 0.203 276 E C 1.746 178.423 176.600 0.128 0.000 1.022 276 E CA 1.456 58.017 56.400 0.268 0.000 0.823 276 E CB -0.209 29.629 29.700 0.229 0.000 0.744 276 E HN 0.447 nan 8.360 nan 0.000 0.456 277 A N -0.078 122.673 122.820 -0.116 0.000 2.139 277 A HA -0.160 4.160 4.320 0.000 0.000 0.221 277 A C 1.577 178.919 177.584 -0.403 0.000 1.159 277 A CA 1.186 52.998 52.037 -0.375 0.000 0.662 277 A CB -0.545 18.047 19.000 -0.681 0.000 0.796 277 A HN 0.251 nan 8.150 nan 0.000 0.463 278 F N -1.288 118.709 119.950 0.078 0.000 2.704 278 F HA 0.082 4.610 4.527 0.001 0.000 0.304 278 F C 1.976 177.795 175.800 0.031 0.000 1.094 278 F CA 0.448 58.476 58.000 0.047 0.000 1.275 278 F CB 0.345 39.373 39.000 0.045 0.000 1.073 278 F HN 0.104 nan 8.300 nan 0.000 0.586 279 V N -2.235 117.784 119.914 0.176 0.000 2.809 279 V HA -0.006 4.114 4.120 0.000 0.000 0.256 279 V C 0.788 176.884 176.094 0.003 0.000 1.080 279 V CA 0.333 62.691 62.300 0.097 0.000 1.102 279 V CB -1.071 30.812 31.823 0.099 0.000 0.705 279 V HN -0.041 nan 8.190 nan 0.000 0.475 280 V N 2.560 122.464 119.914 -0.016 0.000 2.607 280 V HA 0.277 4.397 4.120 0.000 0.000 0.289 280 V C -0.396 175.679 176.094 -0.032 0.000 1.053 280 V CA -0.809 61.471 62.300 -0.034 0.000 0.996 280 V CB 1.179 32.983 31.823 -0.030 0.000 0.995 280 V HN 0.292 nan 8.190 nan 0.000 0.476 281 P HA -0.088 nan 4.420 nan 0.000 0.216 281 P C 0.374 177.467 177.300 -0.345 0.000 1.153 281 P CA 1.571 64.523 63.100 -0.246 0.000 0.848 281 P CB 0.337 31.839 31.700 -0.330 0.000 0.787 282 Y N -0.727 119.584 120.300 0.019 0.000 2.954 282 Y HA 0.466 5.016 4.550 0.000 0.000 0.144 282 Y C 1.433 177.322 175.900 -0.017 0.000 0.882 282 Y CA 0.372 58.477 58.100 0.009 0.000 1.796 282 Y CB -0.352 38.115 38.460 0.011 0.000 1.228 282 Y HN 0.023 nan 8.280 nan 0.000 0.369 283 G N 0.244 109.148 108.800 0.174 0.000 2.756 283 G HA2 0.107 4.068 3.960 0.000 0.000 0.678 283 G HA3 0.107 4.068 3.960 0.000 0.000 0.678 283 G C -0.533 174.347 174.900 -0.034 0.000 1.349 283 G CA -0.413 44.711 45.100 0.040 0.000 0.847 283 G HN 0.748 nan 8.290 nan 0.000 0.548 284 T N -2.778 111.714 114.554 -0.104 0.000 2.742 284 T HA 0.788 5.138 4.350 0.000 0.000 0.282 284 T C -2.126 172.440 174.700 -0.223 0.000 1.025 284 T CA -0.618 61.341 62.100 -0.235 0.000 1.020 284 T CB 2.096 70.792 68.868 -0.286 0.000 1.317 284 T HN 0.386 nan 8.240 nan 0.000 0.538 285 P HA 0.186 nan 4.420 nan 0.000 0.231 285 P C 0.607 177.867 177.300 -0.067 0.000 1.158 285 P CA 0.545 63.564 63.100 -0.135 0.000 0.763 285 P CB -0.098 31.567 31.700 -0.057 0.000 0.805 286 L N -1.733 119.399 121.223 -0.152 0.000 2.910 286 L HA 0.180 4.521 4.340 0.000 0.000 0.252 286 L C 0.496 177.295 176.870 -0.117 0.000 1.195 286 L CA 0.083 54.797 54.840 -0.210 0.000 1.003 286 L CB -0.023 41.826 42.059 -0.350 0.000 1.328 286 L HN -0.292 nan 8.230 nan 0.000 0.540 287 S N 0.401 116.051 115.700 -0.083 0.000 2.506 287 S HA 0.114 4.584 4.470 0.000 0.000 0.291 287 S C 0.266 174.863 174.600 -0.005 0.000 1.230 287 S CA -0.099 58.077 58.200 -0.039 0.000 1.107 287 S CB 0.269 63.440 63.200 -0.048 0.000 0.942 287 S HN -0.012 nan 8.310 nan 0.000 0.502 288 V N 6.268 126.206 119.914 0.040 0.000 2.240 288 V HA 0.184 4.304 4.120 0.000 0.000 0.265 288 V C 0.910 177.020 176.094 0.026 0.000 1.073 288 V CA -0.588 61.766 62.300 0.090 0.000 0.857 288 V CB 0.600 32.552 31.823 0.215 0.000 1.114 288 V HN 0.687 nan 8.190 nan 0.000 0.469 289 N N 2.540 121.248 118.700 0.014 0.000 2.270 289 N HA 0.043 4.784 4.740 0.000 0.000 0.181 289 N C -0.070 175.249 175.510 -0.318 0.000 1.016 289 N CA 1.234 54.217 53.050 -0.112 0.000 0.870 289 N CB 0.066 38.536 38.487 -0.030 0.000 0.979 289 N HN 0.549 nan 8.380 nan 0.000 0.431 290 F N -0.376 119.612 119.950 0.063 0.000 2.646 290 F HA 0.552 5.079 4.527 0.000 0.000 0.364 290 F C 0.675 176.450 175.800 -0.042 0.000 1.137 290 F CA -0.773 57.280 58.000 0.089 0.000 1.085 290 F CB 1.489 40.606 39.000 0.196 0.000 1.331 290 F HN -0.176 nan 8.300 nan 0.000 0.472 291 G N 2.123 110.839 108.800 -0.139 0.000 3.105 291 G HA2 0.648 4.608 3.960 0.000 0.000 0.277 291 G HA3 0.648 4.608 3.960 0.000 0.000 0.277 291 G C -3.148 171.322 174.900 -0.717 0.000 1.375 291 G CA -2.169 42.446 45.100 -0.808 0.000 0.962 291 G HN 0.062 nan 8.290 nan 0.000 0.541 292 P HA 0.178 nan 4.420 nan 0.000 0.264 292 P C 0.053 177.219 177.300 -0.222 0.000 1.183 292 P CA 0.478 63.295 63.100 -0.473 0.000 0.763 292 P CB 0.712 32.075 31.700 -0.561 0.000 0.807 293 T N -1.232 113.269 114.554 -0.089 0.000 2.864 293 T HA 0.455 4.806 4.350 0.000 0.000 0.289 293 T C -0.457 174.224 174.700 -0.032 0.000 1.082 293 T CA -0.887 61.181 62.100 -0.054 0.000 1.009 293 T CB 0.632 69.493 68.868 -0.013 0.000 1.234 293 T HN -0.045 nan 8.240 nan 0.000 0.526 294 V N 3.131 123.023 119.914 -0.036 0.000 2.370 294 V HA 0.200 4.320 4.120 0.000 0.000 0.257 294 V C 1.001 177.096 176.094 0.002 0.000 1.064 294 V CA -0.113 62.172 62.300 -0.025 0.000 0.975 294 V CB -0.007 31.786 31.823 -0.050 0.000 1.067 294 V HN 1.053 nan 8.190 nan 0.000 0.485 295 D N 3.213 123.641 120.400 0.046 0.000 2.367 295 D HA 0.117 4.757 4.640 0.000 0.000 0.207 295 D C 1.435 177.781 176.300 0.077 0.000 1.034 295 D CA 0.904 54.950 54.000 0.076 0.000 0.861 295 D CB 0.913 41.798 40.800 0.141 0.000 0.943 295 D HN 0.747 nan 8.370 nan 0.000 0.515 296 G N 1.297 110.133 108.800 0.060 0.000 2.225 296 G HA2 -0.333 3.627 3.960 0.000 0.000 0.254 296 G HA3 -0.333 3.627 3.960 0.000 0.000 0.254 296 G C 0.787 175.737 174.900 0.083 0.000 0.988 296 G CA 0.667 45.796 45.100 0.049 0.000 0.625 296 G HN 0.491 nan 8.290 nan 0.000 0.527 297 D N -1.125 119.372 120.400 0.161 0.000 2.725 297 D HA 0.239 4.879 4.640 0.000 0.000 0.269 297 D C 1.828 178.295 176.300 0.278 0.000 1.018 297 D CA 0.926 55.077 54.000 0.252 0.000 0.956 297 D CB -0.142 40.869 40.800 0.352 0.000 1.141 297 D HN 0.310 nan 8.370 nan 0.000 0.478 298 F N 0.894 120.871 119.950 0.046 0.000 2.220 298 F HA 0.339 4.866 4.527 0.000 0.000 0.290 298 F C 0.494 176.192 175.800 -0.169 0.000 1.080 298 F CA 0.432 58.266 58.000 -0.276 0.000 1.318 298 F CB 0.313 38.859 39.000 -0.758 0.000 1.063 298 F HN -0.166 nan 8.300 nan 0.000 0.498 299 L N 1.808 123.092 121.223 0.103 0.000 2.265 299 L HA 0.193 4.533 4.340 0.000 0.000 0.289 299 L C 1.282 178.137 176.870 -0.026 0.000 1.033 299 L CA 0.034 54.862 54.840 -0.019 0.000 0.814 299 L CB 1.528 43.597 42.059 0.017 0.000 1.203 299 L HN 0.264 nan 8.230 nan 0.000 0.423 300 T N -1.275 113.239 114.554 -0.067 0.000 2.978 300 T HA 0.042 4.393 4.350 0.000 0.000 0.262 300 T C 0.495 175.168 174.700 -0.046 0.000 1.063 300 T CA 0.308 62.382 62.100 -0.044 0.000 1.140 300 T CB 0.451 69.286 68.868 -0.055 0.000 0.886 300 T HN 0.437 nan 8.240 nan 0.000 0.470 301 D N -0.725 119.636 120.400 -0.065 0.000 2.592 301 D HA 0.384 5.024 4.640 0.000 0.000 0.263 301 D C -0.767 175.486 176.300 -0.078 0.000 1.132 301 D CA -0.973 52.991 54.000 -0.061 0.000 0.996 301 D CB 1.922 42.686 40.800 -0.059 0.000 1.442 301 D HN 0.062 nan 8.370 nan 0.000 0.486 302 M N 2.374 121.935 119.600 -0.065 0.000 2.284 302 M HA 0.035 4.515 4.480 0.000 0.000 0.351 302 M C -1.294 174.943 176.300 -0.104 0.000 1.443 302 M CA -0.865 54.392 55.300 -0.072 0.000 1.031 302 M CB 0.852 33.431 32.600 -0.034 0.000 1.893 302 M HN 0.217 nan 8.290 nan 0.000 0.456 303 P HA -0.178 nan 4.420 nan 0.000 0.216 303 P C 0.408 177.617 177.300 -0.151 0.000 1.150 303 P CA 1.569 64.420 63.100 -0.415 0.000 0.837 303 P CB 0.109 31.326 31.700 -0.805 0.000 0.786 304 D N -0.306 120.124 120.400 0.051 0.000 2.117 304 D HA -0.104 4.536 4.640 0.000 0.000 0.197 304 D C 2.086 178.467 176.300 0.135 0.000 0.987 304 D CA 0.878 54.994 54.000 0.192 0.000 0.829 304 D CB -0.711 40.184 40.800 0.158 0.000 0.961 304 D HN 0.183 nan 8.370 nan 0.000 0.460 305 I N 0.273 120.880 120.570 0.062 0.000 2.076 305 I HA -0.290 3.880 4.170 0.000 0.000 0.237 305 I C 2.253 178.390 176.117 0.033 0.000 1.059 305 I CA 0.925 62.251 61.300 0.042 0.000 1.317 305 I CB -0.481 37.523 38.000 0.008 0.000 1.037 305 I HN 0.014 nan 8.210 nan 0.000 0.398 306 L N -0.035 121.185 121.223 -0.005 0.000 2.103 306 L HA -0.269 4.071 4.340 0.000 0.000 0.215 306 L C 2.551 179.464 176.870 0.072 0.000 1.080 306 L CA 1.236 56.065 54.840 -0.019 0.000 0.764 306 L CB -0.708 41.325 42.059 -0.044 0.000 0.890 306 L HN 0.329 nan 8.230 nan 0.000 0.435 307 L N -0.473 120.877 121.223 0.213 0.000 2.131 307 L HA -0.101 4.239 4.340 0.000 0.000 0.206 307 L C 2.451 179.493 176.870 0.286 0.000 1.087 307 L CA 1.415 56.483 54.840 0.379 0.000 0.767 307 L CB -0.342 42.007 42.059 0.482 0.000 0.917 307 L HN 0.095 nan 8.230 nan 0.000 0.441 308 E N -0.196 120.134 120.200 0.216 0.000 2.110 308 E HA -0.139 4.211 4.350 0.000 0.000 0.193 308 E C 1.671 178.442 176.600 0.286 0.000 0.988 308 E CA 1.471 58.015 56.400 0.239 0.000 0.804 308 E CB -0.142 29.657 29.700 0.165 0.000 0.745 308 E HN 0.527 nan 8.360 nan 0.000 0.458 309 L N -1.473 119.793 121.223 0.072 0.000 2.769 309 L HA 0.337 4.678 4.340 0.000 0.000 0.240 309 L C 1.047 177.500 176.870 -0.695 0.000 1.163 309 L CA 0.178 54.998 54.840 -0.033 0.000 0.962 309 L CB 0.157 42.188 42.059 -0.047 0.000 1.258 309 L HN 0.304 nan 8.230 nan 0.000 0.513 310 G N 0.490 108.579 108.800 -1.185 0.000 2.198 310 G HA2 -0.257 3.704 3.960 0.000 0.000 0.260 310 G HA3 -0.257 3.704 3.960 0.000 0.000 0.260 310 G C 0.261 174.201 174.900 -1.600 0.000 1.025 310 G CA -0.063 43.591 45.100 -2.409 0.000 0.769 310 G HN 0.352 nan 8.290 nan 0.000 0.507 311 Q N -0.338 118.945 119.800 -0.861 0.000 2.844 311 Q HA 0.539 4.879 4.340 0.000 0.000 0.235 311 Q C 0.010 175.828 176.000 -0.303 0.000 1.336 311 Q CA 0.113 55.599 55.803 -0.528 0.000 1.026 311 Q CB -0.599 27.971 28.738 -0.280 0.000 1.513 311 Q HN 0.860 nan 8.270 nan 0.000 0.577 312 F N -2.325 117.502 119.950 -0.205 0.000 2.665 312 F HA 0.415 4.942 4.527 0.000 0.000 0.308 312 F C -0.180 175.621 175.800 0.002 0.000 1.112 312 F CA -1.749 56.230 58.000 -0.036 0.000 0.972 312 F CB 0.928 39.973 39.000 0.076 0.000 1.295 312 F HN -0.062 nan 8.300 nan 0.000 0.440 313 K N 2.854 123.491 120.400 0.394 0.000 2.441 313 K HA -0.032 4.288 4.320 0.000 0.000 0.273 313 K C -0.508 176.279 176.600 0.313 0.000 1.090 313 K CA 0.138 56.616 56.287 0.318 0.000 1.158 313 K CB 0.402 32.991 32.500 0.148 0.000 0.847 313 K HN 0.571 nan 8.250 nan 0.000 0.483 314 K N 3.736 124.230 120.400 0.156 0.000 2.292 314 K HA 0.100 4.420 4.320 0.000 0.000 0.290 314 K C 0.011 176.698 176.600 0.144 0.000 1.083 314 K CA -0.063 56.297 56.287 0.122 0.000 0.918 314 K CB 1.247 33.757 32.500 0.016 0.000 1.089 314 K HN 0.659 nan 8.250 nan 0.000 0.473 315 T N 1.275 115.994 114.554 0.275 0.000 2.711 315 T HA 0.212 4.562 4.350 0.000 0.000 0.302 315 T C -1.345 173.572 174.700 0.363 0.000 1.373 315 T CA -0.720 61.518 62.100 0.229 0.000 1.000 315 T CB 0.997 69.933 68.868 0.113 0.000 1.483 315 T HN 0.402 nan 8.240 nan 0.000 0.499 316 Q N 1.354 121.303 119.800 0.248 0.000 2.373 316 Q HA 0.653 4.993 4.340 0.000 0.000 0.255 316 Q C -0.009 176.244 176.000 0.422 0.000 0.980 316 Q CA -0.087 55.906 55.803 0.316 0.000 0.882 316 Q CB 0.448 29.323 28.738 0.228 0.000 1.249 316 Q HN 0.631 nan 8.270 nan 0.000 0.438 317 I N -1.856 118.931 120.570 0.362 0.000 2.865 317 I HA 0.591 4.761 4.170 0.000 0.000 0.302 317 I C -1.404 174.702 176.117 -0.019 0.000 1.140 317 I CA -1.407 60.000 61.300 0.178 0.000 1.021 317 I CB 1.730 39.603 38.000 -0.211 0.000 1.233 317 I HN 0.490 nan 8.210 nan 0.000 0.427 318 L N 5.344 126.330 121.223 -0.396 0.000 2.316 318 L HA 0.674 5.014 4.340 0.000 0.000 0.280 318 L C -1.034 175.680 176.870 -0.261 0.000 1.006 318 L CA -0.589 53.942 54.840 -0.515 0.000 0.836 318 L CB 1.466 42.818 42.059 -1.179 0.000 1.221 318 L HN 0.540 nan 8.230 nan 0.000 0.418 319 V N 3.400 123.214 119.914 -0.166 0.000 2.881 319 V HA 0.983 5.103 4.120 0.000 0.000 0.316 319 V C 0.371 175.920 176.094 -0.908 0.000 1.070 319 V CA -0.361 61.767 62.300 -0.286 0.000 0.976 319 V CB 1.683 33.496 31.823 -0.018 0.000 1.038 319 V HN 0.884 nan 8.190 nan 0.000 0.446 320 G N 0.587 108.597 108.800 -1.316 0.000 2.387 320 G HA2 0.631 4.591 3.960 0.000 0.000 0.294 320 G HA3 0.631 4.591 3.960 0.000 0.000 0.294 320 G C -1.477 172.747 174.900 -1.127 0.000 1.509 320 G CA 0.157 43.925 45.100 -2.221 0.000 0.806 320 G HN 1.354 nan 8.290 nan 0.000 0.546 321 V N -1.988 117.576 119.914 -0.583 0.000 3.158 321 V HA 0.878 4.999 4.120 0.000 0.000 0.311 321 V C -0.912 175.292 176.094 0.184 0.000 1.181 321 V CA -1.525 60.764 62.300 -0.018 0.000 1.054 321 V CB 2.063 33.983 31.823 0.162 0.000 1.085 321 V HN 0.664 nan 8.190 nan 0.000 0.446 322 N N 0.889 119.688 118.700 0.166 0.000 2.466 322 N HA 0.412 5.152 4.740 0.000 0.000 0.294 322 N C 0.577 176.121 175.510 0.058 0.000 1.129 322 N CA -0.593 52.540 53.050 0.137 0.000 0.931 322 N CB 1.776 40.353 38.487 0.151 0.000 1.193 322 N HN 0.918 nan 8.380 nan 0.000 0.500 323 K N 0.194 120.503 120.400 -0.152 0.000 2.127 323 K HA -0.151 4.169 4.320 0.000 0.000 0.208 323 K C -0.531 176.150 176.600 0.134 0.000 1.047 323 K CA 1.515 57.749 56.287 -0.088 0.000 0.927 323 K CB 0.173 32.582 32.500 -0.151 0.000 0.716 323 K HN 0.509 nan 8.250 nan 0.000 0.450 324 D N 0.168 120.633 120.400 0.108 0.000 2.720 324 D HA 0.023 4.664 4.640 0.000 0.000 0.285 324 D C 0.517 176.894 176.300 0.129 0.000 1.359 324 D CA -0.078 53.999 54.000 0.129 0.000 0.818 324 D CB 0.758 41.612 40.800 0.089 0.000 1.108 324 D HN 0.176 nan 8.370 nan 0.000 0.474 325 E N 0.991 121.282 120.200 0.153 0.000 2.119 325 E HA -0.258 4.092 4.350 0.000 0.000 0.221 325 E C 2.076 178.800 176.600 0.208 0.000 1.062 325 E CA 1.728 58.212 56.400 0.140 0.000 0.894 325 E CB -0.604 29.184 29.700 0.148 0.000 0.785 325 E HN 0.385 nan 8.360 nan 0.000 0.472 326 G N 1.235 110.187 108.800 0.252 0.000 2.547 326 G HA2 -0.393 3.567 3.960 0.000 0.000 0.221 326 G HA3 -0.393 3.567 3.960 0.000 0.000 0.221 326 G C 1.755 176.790 174.900 0.224 0.000 1.140 326 G CA 2.842 48.080 45.100 0.230 0.000 0.760 326 G HN 0.487 nan 8.290 nan 0.000 0.583 327 T N -0.179 114.451 114.554 0.127 0.000 2.699 327 T HA -0.024 4.327 4.350 0.000 0.000 0.268 327 T C 2.558 177.229 174.700 -0.049 0.000 1.036 327 T CA 2.052 64.199 62.100 0.079 0.000 1.147 327 T CB -0.626 68.269 68.868 0.045 0.000 0.862 327 T HN 0.574 nan 8.240 nan 0.000 0.446 328 A N 0.954 123.648 122.820 -0.210 0.000 2.032 328 A HA 0.052 4.372 4.320 0.000 0.000 0.221 328 A C 1.871 179.239 177.584 -0.360 0.000 1.165 328 A CA 1.415 53.145 52.037 -0.511 0.000 0.645 328 A CB -1.070 17.481 19.000 -0.749 0.000 0.807 328 A HN 0.630 nan 8.150 nan 0.000 0.453 329 F N -0.983 118.958 119.950 -0.015 0.000 2.776 329 F HA 0.231 4.759 4.527 0.000 0.000 0.300 329 F C 1.566 177.529 175.800 0.272 0.000 1.116 329 F CA 0.170 58.249 58.000 0.132 0.000 1.375 329 F CB -0.055 39.019 39.000 0.123 0.000 1.109 329 F HN 0.057 nan 8.300 nan 0.000 0.585 330 L N -0.258 121.104 121.223 0.231 0.000 2.418 330 L HA -0.027 4.313 4.340 0.000 0.000 0.218 330 L C 2.139 179.046 176.870 0.061 0.000 1.125 330 L CA 0.342 55.145 54.840 -0.062 0.000 0.835 330 L CB -0.544 41.041 42.059 -0.789 0.000 0.953 330 L HN 0.117 nan 8.230 nan 0.000 0.454 331 V N -4.853 115.199 119.914 0.230 0.000 3.129 331 V HA -0.121 3.999 4.120 0.000 0.000 0.259 331 V C 1.228 177.424 176.094 0.171 0.000 1.116 331 V CA 0.745 63.200 62.300 0.259 0.000 1.127 331 V CB -1.066 30.855 31.823 0.163 0.000 0.742 331 V HN 0.298 nan 8.190 nan 0.000 0.474 332 Y N 1.806 122.234 120.300 0.213 0.000 2.645 332 Y HA 0.685 5.235 4.550 0.000 0.000 0.307 332 Y C 1.627 177.568 175.900 0.068 0.000 1.151 332 Y CA 0.298 58.491 58.100 0.156 0.000 1.291 332 Y CB 0.559 39.093 38.460 0.124 0.000 1.135 332 Y HN 0.364 nan 8.280 nan 0.000 0.523 333 G N -1.052 107.855 108.800 0.178 0.000 3.724 333 G HA2 0.068 4.029 3.960 0.000 0.000 0.212 333 G HA3 0.068 4.029 3.960 0.000 0.000 0.212 333 G C 0.041 175.000 174.900 0.098 0.000 0.928 333 G CA -0.203 44.943 45.100 0.076 0.000 0.879 333 G HN 0.307 nan 8.290 nan 0.000 0.424 334 A N 2.147 125.071 122.820 0.172 0.000 2.396 334 A HA 0.663 4.983 4.320 0.000 0.000 0.279 334 A C -2.209 175.623 177.584 0.413 0.000 1.165 334 A CA -0.863 51.342 52.037 0.280 0.000 0.824 334 A CB -0.174 18.999 19.000 0.288 0.000 1.100 334 A HN 0.122 nan 8.150 nan 0.000 0.516 335 P HA 0.215 nan 4.420 nan 0.000 0.262 335 P C 1.089 178.509 177.300 0.199 0.000 1.182 335 P CA 1.927 65.150 63.100 0.206 0.000 0.761 335 P CB 0.644 32.422 31.700 0.130 0.000 0.795 336 G N 1.481 110.329 108.800 0.080 0.000 2.176 336 G HA2 -0.229 3.732 3.960 0.000 0.000 0.232 336 G HA3 -0.229 3.732 3.960 0.000 0.000 0.232 336 G C -0.194 174.535 174.900 -0.286 0.000 0.986 336 G CA -0.636 44.387 45.100 -0.128 0.000 0.643 336 G HN 0.396 nan 8.290 nan 0.000 0.522 337 F N 1.556 121.540 119.950 0.057 0.000 2.415 337 F HA 0.748 5.275 4.527 0.000 0.000 0.348 337 F C 0.587 176.485 175.800 0.163 0.000 1.119 337 F CA -0.131 57.926 58.000 0.095 0.000 1.069 337 F CB 2.226 41.335 39.000 0.182 0.000 1.124 337 F HN 0.112 nan 8.300 nan 0.000 0.472 338 S N 1.939 117.848 115.700 0.349 0.000 2.541 338 S HA 0.319 4.789 4.470 0.000 0.000 0.271 338 S C 0.255 175.118 174.600 0.438 0.000 1.133 338 S CA -0.926 57.475 58.200 0.336 0.000 0.876 338 S CB 1.315 64.631 63.200 0.194 0.000 1.105 338 S HN 0.731 nan 8.310 nan 0.000 0.470 339 K N 1.345 121.907 120.400 0.270 0.000 2.525 339 K HA 0.215 4.536 4.320 0.000 0.000 0.192 339 K C -0.015 176.627 176.600 0.069 0.000 1.029 339 K CA 0.890 57.254 56.287 0.128 0.000 1.029 339 K CB 0.050 32.407 32.500 -0.239 0.000 0.814 339 K HN 0.347 nan 8.250 nan 0.000 0.503 340 D N 0.769 121.233 120.400 0.107 0.000 2.363 340 D HA 0.045 4.685 4.640 0.000 0.000 0.214 340 D C -0.534 175.826 176.300 0.099 0.000 1.093 340 D CA 0.112 54.149 54.000 0.062 0.000 0.837 340 D CB 0.182 41.003 40.800 0.035 0.000 0.948 340 D HN 0.491 nan 8.370 nan 0.000 0.507 341 N N -0.759 118.040 118.700 0.165 0.000 3.039 341 N HA -0.014 4.726 4.740 0.000 0.000 0.257 341 N C 0.679 176.262 175.510 0.121 0.000 1.497 341 N CA -0.601 52.515 53.050 0.111 0.000 0.861 341 N CB 0.255 38.763 38.487 0.035 0.000 1.479 341 N HN -0.308 nan 8.380 nan 0.000 0.547 342 N N -0.222 118.485 118.700 0.013 0.000 2.133 342 N HA -0.263 4.478 4.740 0.000 0.000 0.193 342 N C -0.076 175.202 175.510 -0.386 0.000 1.012 342 N CA 2.134 55.129 53.050 -0.092 0.000 0.871 342 N CB -0.967 37.470 38.487 -0.084 0.000 1.011 342 N HN 0.662 nan 8.380 nan 0.000 0.435 343 S N -1.147 114.310 115.700 -0.405 0.000 3.445 343 S HA -0.123 4.347 4.470 0.000 0.000 0.319 343 S C -0.116 174.093 174.600 -0.652 0.000 1.209 343 S CA 0.409 58.209 58.200 -0.667 0.000 0.934 343 S CB -1.241 61.269 63.200 -1.149 0.000 0.999 343 S HN 0.432 nan 8.310 nan 0.000 0.582 344 I N 3.013 123.345 120.570 -0.398 0.000 2.577 344 I HA 0.106 4.276 4.170 0.000 0.000 0.299 344 I C 0.887 176.864 176.117 -0.235 0.000 1.157 344 I CA 0.428 61.563 61.300 -0.276 0.000 1.418 344 I CB -1.382 36.515 38.000 -0.172 0.000 1.467 344 I HN 0.355 nan 8.210 nan 0.000 0.624 345 I N 3.289 123.710 120.570 -0.248 0.000 2.934 345 I HA 0.591 4.761 4.170 0.000 0.000 0.315 345 I C 0.730 176.796 176.117 -0.085 0.000 0.997 345 I CA -0.606 60.580 61.300 -0.190 0.000 1.184 345 I CB 1.340 39.189 38.000 -0.252 0.000 1.400 345 I HN 0.468 nan 8.210 nan 0.000 0.549 346 T N -0.535 113.948 114.554 -0.119 0.000 2.902 346 T HA 0.361 4.712 4.350 0.000 0.000 0.283 346 T C 0.880 175.346 174.700 -0.389 0.000 1.009 346 T CA -0.679 61.306 62.100 -0.192 0.000 1.051 346 T CB 1.845 70.636 68.868 -0.127 0.000 0.999 346 T HN 0.888 nan 8.240 nan 0.000 0.474 347 R N 1.548 121.550 120.500 -0.830 0.000 2.227 347 R HA -0.274 4.066 4.340 0.000 0.000 0.259 347 R C 1.883 178.015 176.300 -0.281 0.000 1.139 347 R CA 2.384 57.874 56.100 -1.017 0.000 0.969 347 R CB -0.430 29.522 30.300 -0.580 0.000 0.903 347 R HN 0.764 nan 8.270 nan 0.000 0.452 348 K N -0.285 120.028 120.400 -0.145 0.000 2.155 348 K HA -0.119 4.202 4.320 0.000 0.000 0.203 348 K C 1.924 178.539 176.600 0.025 0.000 1.052 348 K CA 1.611 57.883 56.287 -0.025 0.000 0.948 348 K CB -0.003 32.484 32.500 -0.022 0.000 0.728 348 K HN 0.449 nan 8.250 nan 0.000 0.448 349 E N 0.063 120.272 120.200 0.015 0.000 2.358 349 E HA -0.100 4.250 4.350 0.000 0.000 0.195 349 E C 1.487 178.187 176.600 0.167 0.000 1.010 349 E CA 0.270 56.714 56.400 0.073 0.000 0.856 349 E CB -0.044 29.677 29.700 0.035 0.000 0.795 349 E HN 0.194 nan 8.360 nan 0.000 0.504 350 F N 1.857 121.818 119.950 0.019 0.000 2.084 350 F HA -0.189 4.339 4.527 0.001 0.000 0.296 350 F C 2.083 177.977 175.800 0.157 0.000 1.111 350 F CA 1.630 59.713 58.000 0.138 0.000 1.224 350 F CB 0.068 39.166 39.000 0.163 0.000 0.991 350 F HN -0.109 nan 8.300 nan 0.000 0.471 351 Q N 0.152 120.072 119.800 0.200 0.000 2.079 351 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 351 Q C 2.124 178.158 176.000 0.057 0.000 0.974 351 Q CA 1.844 57.714 55.803 0.110 0.000 0.840 351 Q CB -0.337 28.486 28.738 0.142 0.000 0.898 351 Q HN 0.512 nan 8.270 nan 0.000 0.430 352 E N 0.056 120.298 120.200 0.069 0.000 2.086 352 E HA -0.224 4.126 4.350 0.000 0.000 0.200 352 E C 2.063 178.711 176.600 0.079 0.000 1.012 352 E CA 1.124 57.564 56.400 0.067 0.000 0.812 352 E CB -0.319 29.425 29.700 0.073 0.000 0.743 352 E HN 0.531 nan 8.360 nan 0.000 0.453 353 G N 0.921 109.778 108.800 0.095 0.000 2.422 353 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 353 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 353 G C 1.566 176.563 174.900 0.163 0.000 1.146 353 G CA 0.382 45.572 45.100 0.150 0.000 0.769 353 G HN 0.082 nan 8.290 nan 0.000 0.547 354 L N -0.148 121.093 121.223 0.031 0.000 2.027 354 L HA -0.049 4.291 4.340 0.000 0.000 0.206 354 L C 2.932 179.938 176.870 0.226 0.000 1.074 354 L CA 1.366 56.295 54.840 0.148 0.000 0.745 354 L CB -0.407 41.666 42.059 0.024 0.000 0.898 354 L HN 0.176 nan 8.230 nan 0.000 0.433 355 K N -0.091 120.378 120.400 0.114 0.000 2.173 355 K HA -0.215 4.105 4.320 0.000 0.000 0.207 355 K C 1.945 178.555 176.600 0.016 0.000 1.046 355 K CA 1.261 57.585 56.287 0.061 0.000 0.929 355 K CB -0.100 32.412 32.500 0.020 0.000 0.720 355 K HN 0.206 nan 8.250 nan 0.000 0.453 356 I N -0.377 120.201 120.570 0.015 0.000 2.193 356 I HA -0.178 3.992 4.170 0.000 0.000 0.240 356 I C 1.901 177.862 176.117 -0.260 0.000 1.084 356 I CA 1.614 62.832 61.300 -0.137 0.000 1.365 356 I CB -0.765 37.120 38.000 -0.192 0.000 1.064 356 I HN 0.053 nan 8.210 nan 0.000 0.410 357 F N -0.613 119.248 119.950 -0.149 0.000 2.743 357 F HA 0.029 4.556 4.527 0.001 0.000 0.297 357 F C 0.775 176.158 175.800 -0.695 0.000 1.131 357 F CA 0.473 58.223 58.000 -0.417 0.000 1.426 357 F CB -0.066 38.607 39.000 -0.545 0.000 1.116 357 F HN -0.133 nan 8.300 nan 0.000 0.583 358 F N -0.539 119.470 119.950 0.098 0.000 2.564 358 F HA 0.334 4.861 4.527 0.000 0.000 0.329 358 F C -1.927 173.886 175.800 0.021 0.000 1.458 358 F CA -2.001 56.045 58.000 0.076 0.000 1.117 358 F CB 0.195 39.253 39.000 0.097 0.000 1.383 358 F HN -0.195 nan 8.300 nan 0.000 0.571 359 P HA -0.126 nan 4.420 nan 0.000 0.215 359 P C 1.506 178.747 177.300 -0.098 0.000 1.157 359 P CA 1.304 64.337 63.100 -0.111 0.000 0.868 359 P CB 0.290 31.877 31.700 -0.189 0.000 0.788 360 G N -0.793 108.027 108.800 0.033 0.000 3.814 360 G HA2 0.308 4.268 3.960 0.000 0.000 0.293 360 G HA3 0.308 4.268 3.960 0.000 0.000 0.293 360 G C -0.427 174.532 174.900 0.100 0.000 1.243 360 G CA -0.012 45.129 45.100 0.067 0.000 1.053 360 G HN 0.096 nan 8.290 nan 0.000 0.562 361 V N 1.581 121.568 119.914 0.121 0.000 2.417 361 V HA 0.370 4.490 4.120 0.000 0.000 0.291 361 V C 0.834 176.979 176.094 0.084 0.000 1.024 361 V CA -0.964 61.417 62.300 0.135 0.000 0.861 361 V CB 1.370 33.345 31.823 0.252 0.000 0.985 361 V HN 0.536 nan 8.190 nan 0.000 0.436 362 S N 2.828 118.560 115.700 0.052 0.000 2.550 362 S HA -0.061 4.410 4.470 0.000 0.000 0.285 362 S C 1.221 175.856 174.600 0.059 0.000 1.326 362 S CA 0.596 58.825 58.200 0.049 0.000 1.037 362 S CB 0.567 63.795 63.200 0.047 0.000 0.838 362 S HN 0.869 nan 8.310 nan 0.000 0.519 363 E N 1.744 121.959 120.200 0.024 0.000 2.119 363 E HA -0.252 4.098 4.350 0.000 0.000 0.221 363 E C 1.276 177.862 176.600 -0.023 0.000 1.062 363 E CA 2.472 58.847 56.400 -0.042 0.000 0.894 363 E CB -0.593 29.029 29.700 -0.129 0.000 0.785 363 E HN 0.790 nan 8.360 nan 0.000 0.472 364 F N 0.065 120.036 119.950 0.035 0.000 2.259 364 F HA 0.104 4.632 4.527 0.000 0.000 0.298 364 F C 2.265 178.110 175.800 0.076 0.000 1.088 364 F CA 1.232 59.261 58.000 0.049 0.000 1.358 364 F CB -0.923 38.090 39.000 0.022 0.000 1.040 364 F HN 0.222 nan 8.300 nan 0.000 0.505 365 G N 0.273 109.208 108.800 0.226 0.000 2.529 365 G HA2 -0.304 3.657 3.960 0.000 0.000 0.219 365 G HA3 -0.304 3.657 3.960 0.000 0.000 0.219 365 G C 1.798 176.859 174.900 0.269 0.000 1.177 365 G CA 1.088 46.293 45.100 0.174 0.000 0.773 365 G HN 0.287 nan 8.290 nan 0.000 0.573 366 K N 0.551 121.061 120.400 0.183 0.000 2.057 366 K HA -0.088 4.232 4.320 0.000 0.000 0.207 366 K C 2.406 179.119 176.600 0.188 0.000 1.049 366 K CA 1.414 57.784 56.287 0.137 0.000 0.931 366 K CB -0.252 32.309 32.500 0.102 0.000 0.714 366 K HN 0.425 nan 8.250 nan 0.000 0.440 367 E N 0.863 121.185 120.200 0.204 0.000 2.160 367 E HA -0.177 4.174 4.350 0.000 0.000 0.195 367 E C 2.141 178.914 176.600 0.289 0.000 0.991 367 E CA 1.661 58.201 56.400 0.232 0.000 0.810 367 E CB -0.087 29.742 29.700 0.215 0.000 0.742 367 E HN 0.372 nan 8.360 nan 0.000 0.466 368 S N 0.747 116.652 115.700 0.341 0.000 2.395 368 S HA -0.067 4.404 4.470 0.000 0.000 0.225 368 S C 2.076 176.848 174.600 0.288 0.000 1.027 368 S CA 0.475 58.907 58.200 0.386 0.000 0.965 368 S CB -0.360 63.188 63.200 0.579 0.000 0.812 368 S HN 0.150 nan 8.310 nan 0.000 0.482 369 I N 1.523 122.259 120.570 0.277 0.000 2.286 369 I HA -0.130 4.040 4.170 0.000 0.000 0.248 369 I C 2.504 178.706 176.117 0.143 0.000 1.115 369 I CA 0.986 62.300 61.300 0.024 0.000 1.392 369 I CB -0.380 37.608 38.000 -0.021 0.000 1.065 369 I HN 0.251 nan 8.210 nan 0.000 0.418 370 L N -0.102 121.266 121.223 0.242 0.000 1.994 370 L HA -0.254 4.086 4.340 0.000 0.000 0.208 370 L C 2.548 179.473 176.870 0.091 0.000 1.071 370 L CA 1.611 56.631 54.840 0.300 0.000 0.745 370 L CB -0.334 41.911 42.059 0.312 0.000 0.892 370 L HN 0.166 nan 8.230 nan 0.000 0.431 371 F N -0.280 119.646 119.950 -0.039 0.000 2.134 371 F HA -0.296 4.231 4.527 0.001 0.000 0.299 371 F C 2.469 178.084 175.800 -0.308 0.000 1.097 371 F CA 2.163 60.069 58.000 -0.156 0.000 1.264 371 F CB -0.320 38.616 39.000 -0.106 0.000 1.001 371 F HN 0.201 nan 8.300 nan 0.000 0.479 372 H N -1.836 117.082 119.070 -0.254 0.000 2.357 372 H HA -0.167 4.389 4.556 0.000 0.000 0.301 372 H C 1.644 176.552 175.328 -0.699 0.000 1.082 372 H CA 2.379 58.085 56.048 -0.569 0.000 1.342 372 H CB -0.304 28.781 29.762 -1.128 0.000 1.389 372 H HN 0.356 nan 8.280 nan 0.000 0.511 373 Y N -0.558 119.542 120.300 -0.335 0.000 2.523 373 Y HA 0.039 4.590 4.550 0.000 0.000 0.279 373 Y C 1.584 176.998 175.900 -0.811 0.000 1.139 373 Y CA 0.913 58.813 58.100 -0.334 0.000 1.296 373 Y CB 0.532 38.982 38.460 -0.016 0.000 1.045 373 Y HN 0.280 nan 8.280 nan 0.000 0.538 374 T N -2.892 111.108 114.554 -0.923 0.000 3.258 374 T HA 0.057 4.407 4.350 0.000 0.000 0.263 374 T C -0.027 173.565 174.700 -1.847 0.000 0.983 374 T CA -0.481 60.633 62.100 -1.643 0.000 0.907 374 T CB -0.666 67.611 68.868 -0.984 0.000 1.096 374 T HN 0.173 nan 8.240 nan 0.000 0.556 375 D N 0.858 120.327 120.400 -1.552 0.000 3.032 375 D HA 0.029 4.669 4.640 0.000 0.000 0.241 375 D C -0.601 175.334 176.300 -0.607 0.000 1.196 375 D CA -0.935 52.469 54.000 -0.994 0.000 0.927 375 D CB -0.916 39.422 40.800 -0.771 0.000 1.129 375 D HN 0.656 nan 8.370 nan 0.000 0.458 376 W N 0.868 121.994 121.300 -0.290 0.000 2.529 376 W HA 0.181 4.842 4.660 0.001 0.000 0.319 376 W C 1.353 177.773 176.519 -0.165 0.000 1.362 376 W CA -1.307 55.908 57.345 -0.216 0.000 1.348 376 W CB 0.575 29.901 29.460 -0.224 0.000 1.403 376 W HN -0.145 nan 8.180 nan 0.000 0.519 377 V N 0.901 120.883 119.914 0.112 0.000 2.231 377 V HA -0.269 3.851 4.120 0.000 0.000 0.248 377 V C 0.739 176.859 176.094 0.043 0.000 1.054 377 V CA 1.471 63.793 62.300 0.037 0.000 1.015 377 V CB -0.593 31.246 31.823 0.026 0.000 0.638 377 V HN 0.471 nan 8.190 nan 0.000 0.444 378 D N -0.177 120.253 120.400 0.050 0.000 2.278 378 D HA 0.286 4.926 4.640 0.000 0.000 0.245 378 D C -0.696 175.610 176.300 0.010 0.000 1.052 378 D CA -0.475 53.536 54.000 0.018 0.000 0.834 378 D CB 1.623 42.418 40.800 -0.009 0.000 1.194 378 D HN 0.239 nan 8.370 nan 0.000 0.481 379 D N 2.384 122.790 120.400 0.010 0.000 2.504 379 D HA -0.011 4.629 4.640 0.000 0.000 0.243 379 D C 1.203 177.459 176.300 -0.074 0.000 1.203 379 D CA 0.135 54.133 54.000 -0.003 0.000 0.847 379 D CB 0.518 41.341 40.800 0.039 0.000 0.973 379 D HN 0.204 nan 8.370 nan 0.000 0.490 380 Q N 0.315 120.046 119.800 -0.114 0.000 1.909 380 Q HA 0.097 4.437 4.340 0.000 0.000 0.209 380 Q C 0.501 176.411 176.000 -0.149 0.000 0.974 380 Q CA 0.495 56.233 55.803 -0.108 0.000 0.851 380 Q CB -0.606 28.079 28.738 -0.088 0.000 0.904 380 Q HN 0.242 nan 8.270 nan 0.000 0.445 381 R N 2.593 122.973 120.500 -0.199 0.000 2.870 381 R HA -0.132 4.208 4.340 0.000 0.000 0.283 381 R C -1.702 174.481 176.300 -0.195 0.000 0.805 381 R CA -0.139 55.835 56.100 -0.210 0.000 1.110 381 R CB -0.536 29.585 30.300 -0.297 0.000 0.900 381 R HN 0.242 nan 8.270 nan 0.000 0.406 382 P HA -0.172 nan 4.420 nan 0.000 0.226 382 P C 0.566 177.800 177.300 -0.110 0.000 1.153 382 P CA 0.992 64.033 63.100 -0.098 0.000 0.777 382 P CB 0.129 31.785 31.700 -0.075 0.000 0.794 383 E N -1.039 119.078 120.200 -0.137 0.000 2.494 383 E HA -0.053 4.297 4.350 0.000 0.000 0.193 383 E C 0.972 177.473 176.600 -0.166 0.000 1.074 383 E CA 0.046 56.369 56.400 -0.129 0.000 0.867 383 E CB -0.642 29.003 29.700 -0.093 0.000 0.924 383 E HN 0.056 nan 8.360 nan 0.000 0.502 384 N N 1.623 120.149 118.700 -0.289 0.000 2.002 384 N HA -0.224 4.517 4.740 0.000 0.000 0.199 384 N C 1.378 176.732 175.510 -0.261 0.000 1.060 384 N CA 1.698 54.399 53.050 -0.583 0.000 0.867 384 N CB -0.807 37.136 38.487 -0.905 0.000 1.069 384 N HN 0.309 nan 8.380 nan 0.000 0.430 385 Y N 1.205 121.469 120.300 -0.060 0.000 2.403 385 Y HA -0.034 4.516 4.550 0.000 0.000 0.291 385 Y C 2.589 178.634 175.900 0.242 0.000 1.143 385 Y CA 0.892 59.047 58.100 0.092 0.000 1.257 385 Y CB -0.165 38.337 38.460 0.069 0.000 0.984 385 Y HN 0.126 nan 8.280 nan 0.000 0.550 386 R N 0.849 121.499 120.500 0.250 0.000 2.082 386 R HA -0.219 4.121 4.340 0.000 0.000 0.234 386 R C 1.897 178.392 176.300 0.325 0.000 1.136 386 R CA 2.231 58.467 56.100 0.226 0.000 0.935 386 R CB -0.254 30.019 30.300 -0.045 0.000 0.842 386 R HN 0.387 nan 8.270 nan 0.000 0.430 387 E N -0.162 120.170 120.200 0.221 0.000 2.110 387 E HA -0.179 4.171 4.350 0.000 0.000 0.193 387 E C 1.962 178.754 176.600 0.320 0.000 0.988 387 E CA 0.970 57.519 56.400 0.249 0.000 0.804 387 E CB -0.128 29.670 29.700 0.162 0.000 0.745 387 E HN 0.480 nan 8.360 nan 0.000 0.458 388 A N 1.396 124.445 122.820 0.383 0.000 1.884 388 A HA -0.235 4.085 4.320 0.000 0.000 0.219 388 A C 2.176 180.029 177.584 0.448 0.000 1.197 388 A CA 1.475 53.797 52.037 0.474 0.000 0.637 388 A CB -0.705 18.526 19.000 0.385 0.000 0.827 388 A HN 0.236 nan 8.150 nan 0.000 0.450 389 L N -0.072 121.501 121.223 0.583 0.000 2.056 389 L HA 0.012 4.353 4.340 0.000 0.000 0.207 389 L C 2.486 179.400 176.870 0.073 0.000 1.078 389 L CA 2.158 57.196 54.840 0.329 0.000 0.749 389 L CB -1.300 40.964 42.059 0.342 0.000 0.901 389 L HN 0.363 nan 8.230 nan 0.000 0.433 390 G N -0.704 108.201 108.800 0.174 0.000 2.586 390 G HA2 -0.347 3.613 3.960 0.000 0.000 0.218 390 G HA3 -0.347 3.613 3.960 0.000 0.000 0.218 390 G C 1.327 176.276 174.900 0.083 0.000 1.216 390 G CA 1.062 46.244 45.100 0.136 0.000 0.786 390 G HN 0.440 nan 8.290 nan 0.000 0.583 391 D N 0.110 120.592 120.400 0.138 0.000 2.123 391 D HA -0.101 4.540 4.640 0.000 0.000 0.196 391 D C 2.801 179.073 176.300 -0.047 0.000 0.992 391 D CA 1.043 55.131 54.000 0.146 0.000 0.833 391 D CB -0.535 40.457 40.800 0.320 0.000 0.954 391 D HN 0.192 nan 8.370 nan 0.000 0.455 392 V N 1.163 120.879 119.914 -0.330 0.000 2.250 392 V HA -0.257 3.864 4.120 0.000 0.000 0.250 392 V C 2.729 178.707 176.094 -0.192 0.000 1.060 392 V CA 1.371 63.446 62.300 -0.375 0.000 1.030 392 V CB -0.580 31.098 31.823 -0.241 0.000 0.643 392 V HN 0.067 nan 8.190 nan 0.000 0.445 393 V N 0.492 120.254 119.914 -0.253 0.000 2.427 393 V HA -0.113 4.007 4.120 0.000 0.000 0.248 393 V C 2.504 178.494 176.094 -0.173 0.000 1.051 393 V CA 1.992 64.084 62.300 -0.346 0.000 1.048 393 V CB -1.212 30.245 31.823 -0.610 0.000 0.666 393 V HN 0.616 nan 8.190 nan 0.000 0.456 394 G N -0.161 108.634 108.800 -0.009 0.000 2.404 394 G HA2 -0.180 3.780 3.960 0.000 0.000 0.214 394 G HA3 -0.180 3.780 3.960 0.000 0.000 0.214 394 G C 1.189 176.156 174.900 0.113 0.000 1.189 394 G CA 0.844 46.045 45.100 0.168 0.000 0.789 394 G HN 0.496 nan 8.290 nan 0.000 0.533 395 D N -0.281 120.169 120.400 0.082 0.000 2.097 395 D HA -0.139 4.502 4.640 0.000 0.000 0.195 395 D C 1.972 178.121 176.300 -0.252 0.000 0.989 395 D CA 0.956 55.002 54.000 0.077 0.000 0.827 395 D CB -0.461 40.557 40.800 0.364 0.000 0.966 395 D HN 0.366 nan 8.370 nan 0.000 0.456 396 Y N 1.433 121.262 120.300 -0.784 0.000 2.200 396 Y HA -0.128 4.422 4.550 0.000 0.000 0.290 396 Y C 1.472 177.017 175.900 -0.591 0.000 1.137 396 Y CA 1.575 59.020 58.100 -1.093 0.000 1.163 396 Y CB -0.264 37.298 38.460 -1.496 0.000 0.988 396 Y HN -0.102 nan 8.280 nan 0.000 0.518 397 N N -1.762 116.539 118.700 -0.666 0.000 2.405 397 N HA 0.079 4.819 4.740 0.000 0.000 0.175 397 N C 0.523 175.495 175.510 -0.898 0.000 1.051 397 N CA 1.036 53.554 53.050 -0.888 0.000 0.899 397 N CB 0.098 37.953 38.487 -1.053 0.000 1.000 397 N HN 0.336 nan 8.380 nan 0.000 0.451 398 F N -0.799 119.124 119.950 -0.045 0.000 2.268 398 F HA 0.389 4.916 4.527 0.000 0.000 0.262 398 F C 1.656 177.486 175.800 0.049 0.000 0.910 398 F CA -0.406 57.632 58.000 0.064 0.000 1.142 398 F CB 0.061 39.138 39.000 0.129 0.000 1.229 398 F HN -0.156 nan 8.300 nan 0.000 0.781 399 I N 0.190 120.911 120.570 0.251 0.000 2.133 399 I HA -0.277 3.893 4.170 0.000 0.000 0.238 399 I C 2.166 178.367 176.117 0.140 0.000 1.074 399 I CA 1.362 62.801 61.300 0.232 0.000 1.342 399 I CB -0.738 37.412 38.000 0.250 0.000 1.053 399 I HN 0.316 nan 8.210 nan 0.000 0.404 400 c N 1.167 119.816 118.600 0.083 0.000 2.429 400 c HA -0.051 4.520 4.570 0.000 0.000 0.277 400 c C 0.310 174.409 174.090 0.016 0.000 1.262 400 c CA 0.808 57.182 56.329 0.075 0.000 1.733 400 c CB -2.019 40.577 42.510 0.144 0.000 2.010 400 c HN 0.398 nan 8.230 nan 0.000 0.483 401 P HA -0.025 nan 4.420 nan 0.000 0.217 401 P C 1.541 178.813 177.300 -0.046 0.000 1.151 401 P CA 2.233 65.270 63.100 -0.105 0.000 0.828 401 P CB -0.187 31.360 31.700 -0.254 0.000 0.788 402 A N -0.251 122.580 122.820 0.019 0.000 1.877 402 A HA -0.170 4.150 4.320 0.000 0.000 0.216 402 A C 2.252 179.887 177.584 0.085 0.000 1.186 402 A CA 1.526 53.624 52.037 0.102 0.000 0.620 402 A CB -1.683 17.454 19.000 0.229 0.000 0.822 402 A HN 0.101 nan 8.150 nan 0.000 0.443 403 L N -1.119 120.082 121.223 -0.037 0.000 1.994 403 L HA -0.208 4.133 4.340 0.000 0.000 0.208 403 L C 2.691 179.485 176.870 -0.126 0.000 1.071 403 L CA 1.765 56.443 54.840 -0.271 0.000 0.745 403 L CB -0.535 41.385 42.059 -0.231 0.000 0.892 403 L HN 0.376 nan 8.230 nan 0.000 0.431 404 E N 0.051 120.240 120.200 -0.019 0.000 2.086 404 E HA -0.301 4.049 4.350 0.000 0.000 0.200 404 E C 1.917 178.520 176.600 0.005 0.000 1.012 404 E CA 1.606 58.016 56.400 0.016 0.000 0.812 404 E CB -0.392 29.330 29.700 0.037 0.000 0.743 404 E HN 0.355 nan 8.360 nan 0.000 0.453 405 F N 0.657 120.520 119.950 -0.146 0.000 2.091 405 F HA -0.261 4.267 4.527 0.000 0.000 0.299 405 F C 2.189 177.921 175.800 -0.114 0.000 1.103 405 F CA 2.254 60.141 58.000 -0.188 0.000 1.228 405 F CB -0.747 38.072 39.000 -0.300 0.000 0.984 405 F HN 0.022 nan 8.300 nan 0.000 0.477 406 T N 0.677 115.136 114.554 -0.159 0.000 2.777 406 T HA -0.171 4.179 4.350 0.000 0.000 0.266 406 T C 1.870 176.513 174.700 -0.095 0.000 1.040 406 T CA 1.636 63.579 62.100 -0.262 0.000 1.141 406 T CB -0.280 68.277 68.868 -0.519 0.000 0.868 406 T HN 0.270 nan 8.240 nan 0.000 0.444 407 K N 1.250 121.656 120.400 0.010 0.000 1.991 407 K HA -0.089 4.231 4.320 0.000 0.000 0.212 407 K C 2.419 179.087 176.600 0.114 0.000 1.049 407 K CA 1.075 57.464 56.287 0.169 0.000 0.932 407 K CB -0.130 32.462 32.500 0.152 0.000 0.717 407 K HN 0.186 nan 8.250 nan 0.000 0.441 408 K N 0.250 120.681 120.400 0.052 0.000 2.211 408 K HA -0.162 4.159 4.320 0.000 0.000 0.204 408 K C 2.044 178.775 176.600 0.219 0.000 1.047 408 K CA 1.232 57.594 56.287 0.125 0.000 0.935 408 K CB -0.254 32.292 32.500 0.077 0.000 0.728 408 K HN 0.193 nan 8.250 nan 0.000 0.452 409 F N 1.745 121.584 119.950 -0.184 0.000 2.188 409 F HA -0.174 4.354 4.527 0.000 0.000 0.289 409 F C 2.720 178.592 175.800 0.120 0.000 1.082 409 F CA 1.352 59.199 58.000 -0.254 0.000 1.282 409 F CB -0.309 38.198 39.000 -0.822 0.000 1.060 409 F HN 0.040 nan 8.300 nan 0.000 0.493 410 S N 0.039 115.945 115.700 0.344 0.000 2.383 410 S HA -0.290 4.180 4.470 0.000 0.000 0.229 410 S C 1.810 176.505 174.600 0.159 0.000 1.030 410 S CA 1.695 60.059 58.200 0.273 0.000 1.002 410 S CB -0.947 62.425 63.200 0.285 0.000 0.829 410 S HN 0.617 nan 8.310 nan 0.000 0.467 411 E N 0.109 120.389 120.200 0.135 0.000 2.208 411 E HA -0.194 4.157 4.350 0.000 0.000 0.202 411 E C 0.845 177.324 176.600 -0.200 0.000 1.014 411 E CA 1.742 58.114 56.400 -0.047 0.000 0.819 411 E CB -0.270 29.372 29.700 -0.096 0.000 0.735 411 E HN 0.862 nan 8.360 nan 0.000 0.469 412 W N -0.124 121.167 121.300 -0.015 0.000 3.388 412 W HA 0.300 4.960 4.660 0.000 0.000 0.324 412 W C 0.964 177.442 176.519 -0.069 0.000 1.250 412 W CA 0.490 57.793 57.345 -0.069 0.000 1.809 412 W CB 0.221 29.595 29.460 -0.143 0.000 1.083 412 W HN 0.040 nan 8.180 nan 0.000 0.685 413 G N 1.689 110.545 108.800 0.094 0.000 2.248 413 G HA2 -0.297 3.663 3.960 0.000 0.000 0.263 413 G HA3 -0.297 3.663 3.960 0.000 0.000 0.263 413 G C -0.426 174.521 174.900 0.079 0.000 1.082 413 G CA -0.361 44.774 45.100 0.059 0.000 0.863 413 G HN 0.328 nan 8.290 nan 0.000 0.495 414 N N 0.222 118.989 118.700 0.113 0.000 2.370 414 N HA 0.531 5.271 4.740 0.000 0.000 0.303 414 N C -0.163 175.439 175.510 0.154 0.000 1.103 414 N CA -1.076 52.066 53.050 0.154 0.000 0.848 414 N CB 0.573 39.208 38.487 0.248 0.000 1.235 414 N HN 0.123 nan 8.380 nan 0.000 0.496 415 N N 0.544 119.295 118.700 0.085 0.000 2.412 415 N HA 0.294 5.035 4.740 0.000 0.000 0.254 415 N C -0.858 174.582 175.510 -0.116 0.000 1.232 415 N CA 0.172 53.171 53.050 -0.085 0.000 0.880 415 N CB 0.345 38.774 38.487 -0.098 0.000 1.076 415 N HN 0.673 nan 8.380 nan 0.000 0.458 416 A N 2.220 124.840 122.820 -0.334 0.000 2.398 416 A HA 0.701 5.022 4.320 0.000 0.000 0.301 416 A C -1.319 175.976 177.584 -0.481 0.000 1.041 416 A CA -0.665 51.227 52.037 -0.242 0.000 0.711 416 A CB 0.687 19.706 19.000 0.031 0.000 1.240 416 A HN 0.495 nan 8.150 nan 0.000 0.420 417 F N 1.482 121.397 119.950 -0.057 0.000 2.449 417 F HA 0.589 5.116 4.527 0.000 0.000 0.342 417 F C -0.474 175.389 175.800 0.105 0.000 1.127 417 F CA -0.392 57.486 58.000 -0.202 0.000 0.975 417 F CB 1.772 40.220 39.000 -0.919 0.000 1.146 417 F HN 0.571 nan 8.300 nan 0.000 0.444 418 F N 4.933 125.182 119.950 0.497 0.000 2.495 418 F HA 0.579 5.106 4.527 0.000 0.000 0.327 418 F C -0.895 175.368 175.800 0.773 0.000 1.103 418 F CA -1.157 57.080 58.000 0.395 0.000 0.949 418 F CB 1.069 40.115 39.000 0.077 0.000 1.142 418 F HN 0.467 nan 8.300 nan 0.000 0.457 419 Y N 3.700 124.063 120.300 0.105 0.000 2.562 419 Y HA 0.641 5.191 4.550 0.000 0.000 0.343 419 Y C -2.156 173.831 175.900 0.146 0.000 1.025 419 Y CA -1.587 56.652 58.100 0.232 0.000 1.082 419 Y CB 1.310 39.901 38.460 0.218 0.000 1.264 419 Y HN 0.562 nan 8.280 nan 0.000 0.478 420 Y N 4.158 124.737 120.300 0.464 0.000 2.488 420 Y HA 0.369 4.919 4.550 0.000 0.000 0.330 420 Y C -1.770 174.358 175.900 0.381 0.000 1.013 420 Y CA -2.437 55.874 58.100 0.352 0.000 1.304 420 Y CB 0.558 39.205 38.460 0.312 0.000 1.098 420 Y HN 0.745 nan 8.280 nan 0.000 0.498 421 F N 6.694 126.709 119.950 0.108 0.000 2.471 421 F HA 0.269 4.796 4.527 0.001 0.000 0.365 421 F C 0.374 175.982 175.800 -0.319 0.000 1.095 421 F CA 0.108 58.039 58.000 -0.115 0.000 1.174 421 F CB 0.539 39.483 39.000 -0.092 0.000 1.105 421 F HN 0.639 nan 8.300 nan 0.000 0.535 422 E N 4.194 123.953 120.200 -0.735 0.000 3.858 422 E HA 0.145 4.495 4.350 0.000 0.000 0.208 422 E C -1.313 174.977 176.600 -0.518 0.000 1.041 422 E CA -0.620 55.443 56.400 -0.561 0.000 1.368 422 E CB 0.046 29.522 29.700 -0.374 0.000 1.176 422 E HN 0.722 nan 8.360 nan 0.000 0.448 423 H N 0.678 119.176 119.070 -0.953 0.000 2.744 423 H HA 0.335 4.892 4.556 0.000 0.000 0.339 423 H C -0.976 174.134 175.328 -0.363 0.000 1.004 423 H CA -0.832 54.830 56.048 -0.643 0.000 1.257 423 H CB 1.307 30.628 29.762 -0.736 0.000 1.552 423 H HN 0.188 nan 8.280 nan 0.000 0.522 424 R N 4.569 124.595 120.500 -0.790 0.000 2.288 424 R HA 0.189 4.529 4.340 0.000 0.000 0.330 424 R C -0.465 175.468 176.300 -0.612 0.000 1.069 424 R CA -0.174 55.624 56.100 -0.503 0.000 0.941 424 R CB 0.317 30.444 30.300 -0.289 0.000 0.998 424 R HN 0.599 nan 8.270 nan 0.000 0.452 425 S N 2.614 118.300 115.700 -0.024 0.000 2.563 425 S HA -0.065 4.405 4.470 0.000 0.000 0.294 425 S C 1.365 176.058 174.600 0.155 0.000 1.279 425 S CA 0.204 58.625 58.200 0.368 0.000 1.069 425 S CB 0.555 64.130 63.200 0.624 0.000 0.828 425 S HN 0.829 nan 8.310 nan 0.000 0.497 426 S N 4.932 120.757 115.700 0.208 0.000 2.419 426 S HA -0.090 4.380 4.470 0.000 0.000 0.233 426 S C 1.433 176.050 174.600 0.029 0.000 1.016 426 S CA 0.791 59.048 58.200 0.095 0.000 0.974 426 S CB -0.251 63.021 63.200 0.120 0.000 0.786 426 S HN 0.819 nan 8.310 nan 0.000 0.492 427 K N 0.618 121.031 120.400 0.022 0.000 2.366 427 K HA 0.201 4.521 4.320 0.000 0.000 0.198 427 K C 0.270 176.831 176.600 -0.065 0.000 1.044 427 K CA -0.094 56.146 56.287 -0.078 0.000 0.973 427 K CB -0.297 32.075 32.500 -0.215 0.000 0.767 427 K HN 0.335 nan 8.250 nan 0.000 0.475 428 L N 3.004 124.204 121.223 -0.039 0.000 2.776 428 L HA -0.081 4.259 4.340 0.000 0.000 0.283 428 L C -1.453 175.341 176.870 -0.127 0.000 1.194 428 L CA 0.146 54.919 54.840 -0.112 0.000 0.947 428 L CB 0.068 42.057 42.059 -0.117 0.000 1.255 428 L HN -0.001 nan 8.230 nan 0.000 0.481 429 P HA -0.124 nan 4.420 nan 0.000 0.219 429 P C -0.015 177.232 177.300 -0.089 0.000 1.150 429 P CA 0.751 63.675 63.100 -0.294 0.000 0.814 429 P CB 0.154 31.371 31.700 -0.805 0.000 0.787 430 W N 1.814 123.111 121.300 -0.006 0.000 2.112 430 W HA 0.184 4.844 4.660 0.000 0.000 0.349 430 W C -1.525 174.886 176.519 -0.180 0.000 1.289 430 W CA -1.863 55.449 57.345 -0.055 0.000 1.256 430 W CB -1.114 28.216 29.460 -0.217 0.000 1.148 430 W HN -0.081 nan 8.180 nan 0.000 0.590 431 P HA -0.039 nan 4.420 nan 0.000 0.272 431 P C 0.314 177.502 177.300 -0.187 0.000 1.240 431 P CA 0.091 63.125 63.100 -0.111 0.000 0.791 431 P CB 0.984 32.614 31.700 -0.117 0.000 0.978 432 E N 1.297 121.470 120.200 -0.045 0.000 2.118 432 E HA -0.164 4.186 4.350 0.000 0.000 0.195 432 E C 1.718 178.329 176.600 0.018 0.000 0.992 432 E CA 1.597 57.994 56.400 -0.005 0.000 0.804 432 E CB -0.701 29.032 29.700 0.055 0.000 0.741 432 E HN 0.629 nan 8.360 nan 0.000 0.458 433 W N -0.442 120.890 121.300 0.054 0.000 2.465 433 W HA -0.104 4.557 4.660 0.000 0.000 0.268 433 W C 1.245 177.809 176.519 0.075 0.000 1.242 433 W CA 0.469 57.852 57.345 0.064 0.000 1.248 433 W CB -0.722 28.782 29.460 0.074 0.000 1.118 433 W HN 0.061 nan 8.180 nan 0.000 0.587 434 M N 1.349 120.598 119.600 -0.585 0.000 2.476 434 M HA 0.109 4.589 4.480 0.000 0.000 0.262 434 M C 1.689 177.875 176.300 -0.190 0.000 1.079 434 M CA 1.646 56.591 55.300 -0.591 0.000 1.104 434 M CB -0.787 31.299 32.600 -0.857 0.000 1.409 434 M HN 0.164 nan 8.290 nan 0.000 0.467 435 G N 0.482 109.215 108.800 -0.111 0.000 2.552 435 G HA2 -0.277 3.683 3.960 0.000 0.000 0.265 435 G HA3 -0.277 3.683 3.960 0.000 0.000 0.265 435 G C -0.207 174.655 174.900 -0.063 0.000 1.234 435 G CA -0.298 44.776 45.100 -0.043 0.000 0.944 435 G HN 0.215 nan 8.290 nan 0.000 0.568 436 V N 1.575 121.474 119.914 -0.025 0.000 2.229 436 V HA 0.394 4.515 4.120 0.000 0.000 0.245 436 V C 1.151 177.286 176.094 0.069 0.000 1.243 436 V CA 0.457 62.764 62.300 0.012 0.000 1.176 436 V CB -0.007 31.801 31.823 -0.025 0.000 1.323 436 V HN 0.510 nan 8.190 nan 0.000 0.499 437 M N 2.115 121.751 119.600 0.061 0.000 2.241 437 M HA 0.281 4.761 4.480 0.000 0.000 0.335 437 M C 0.619 177.010 176.300 0.153 0.000 1.122 437 M CA -0.522 54.814 55.300 0.061 0.000 1.164 437 M CB 0.352 32.927 32.600 -0.042 0.000 1.459 437 M HN 0.637 nan 8.290 nan 0.000 0.461 438 H N 0.978 120.005 119.070 -0.072 0.000 3.214 438 H HA 0.051 4.608 4.556 0.000 0.000 0.291 438 H C 1.006 176.211 175.328 -0.205 0.000 0.926 438 H CA 2.202 58.123 56.048 -0.212 0.000 1.409 438 H CB 0.054 29.582 29.762 -0.389 0.000 1.406 438 H HN 0.769 nan 8.280 nan 0.000 0.561 439 G N 3.419 111.866 108.800 -0.589 0.000 2.232 439 G HA2 -0.304 3.656 3.960 0.000 0.000 0.226 439 G HA3 -0.304 3.656 3.960 0.000 0.000 0.226 439 G C 0.578 175.294 174.900 -0.306 0.000 0.996 439 G CA 0.285 45.051 45.100 -0.556 0.000 0.626 439 G HN 0.632 nan 8.290 nan 0.000 0.509 440 Y N 1.646 121.952 120.300 0.010 0.000 2.532 440 Y HA 0.281 4.832 4.550 0.000 0.000 0.283 440 Y C 2.226 178.120 175.900 -0.010 0.000 1.181 440 Y CA 0.793 58.966 58.100 0.121 0.000 1.256 440 Y CB 0.525 39.099 38.460 0.191 0.000 1.112 440 Y HN 0.447 nan 8.280 nan 0.000 0.521 441 E N 0.275 120.301 120.200 -0.289 0.000 2.400 441 E HA -0.044 4.306 4.350 0.000 0.000 0.195 441 E C 1.517 177.927 176.600 -0.316 0.000 1.012 441 E CA 0.634 56.508 56.400 -0.877 0.000 0.875 441 E CB -0.373 28.449 29.700 -1.464 0.000 0.859 441 E HN 0.554 nan 8.360 nan 0.000 0.498 442 I N 1.813 122.325 120.570 -0.097 0.000 2.163 442 I HA -0.291 3.879 4.170 0.000 0.000 0.243 442 I C 2.350 178.482 176.117 0.024 0.000 1.085 442 I CA 1.689 63.002 61.300 0.021 0.000 1.347 442 I CB -0.462 37.621 38.000 0.139 0.000 1.044 442 I HN 0.060 nan 8.210 nan 0.000 0.408 443 E N 0.712 120.913 120.200 0.002 0.000 2.149 443 E HA -0.289 4.061 4.350 0.000 0.000 0.215 443 E C 2.105 178.529 176.600 -0.294 0.000 1.055 443 E CA 2.133 58.446 56.400 -0.145 0.000 0.870 443 E CB -0.436 29.192 29.700 -0.120 0.000 0.764 443 E HN 0.460 nan 8.360 nan 0.000 0.463 444 F N -0.013 119.783 119.950 -0.257 0.000 2.234 444 F HA -0.085 4.443 4.527 0.000 0.000 0.296 444 F C 2.354 177.919 175.800 -0.393 0.000 1.089 444 F CA 0.502 58.311 58.000 -0.318 0.000 1.343 444 F CB -0.484 38.371 39.000 -0.243 0.000 1.040 444 F HN -0.136 nan 8.300 nan 0.000 0.498 445 V N -1.013 118.730 119.914 -0.284 0.000 2.427 445 V HA -0.261 3.859 4.120 0.000 0.000 0.248 445 V C 1.881 177.716 176.094 -0.431 0.000 1.051 445 V CA 1.573 63.531 62.300 -0.570 0.000 1.048 445 V CB -0.717 30.709 31.823 -0.663 0.000 0.666 445 V HN 0.212 nan 8.190 nan 0.000 0.456 446 F N 0.493 120.291 119.950 -0.253 0.000 2.811 446 F HA 0.350 4.877 4.527 0.000 0.000 0.301 446 F C 1.853 177.562 175.800 -0.151 0.000 1.151 446 F CA 0.877 58.766 58.000 -0.185 0.000 1.412 446 F CB 0.008 38.862 39.000 -0.243 0.000 1.113 446 F HN 0.297 nan 8.300 nan 0.000 0.579 447 G N -0.017 108.708 108.800 -0.125 0.000 2.136 447 G HA2 -0.292 3.668 3.960 0.000 0.000 0.242 447 G HA3 -0.292 3.668 3.960 0.000 0.000 0.242 447 G C 0.897 175.530 174.900 -0.444 0.000 0.989 447 G CA 0.279 45.255 45.100 -0.206 0.000 0.682 447 G HN 0.289 nan 8.290 nan 0.000 0.522 448 L N 0.443 121.359 121.223 -0.511 0.000 2.131 448 L HA 0.084 4.424 4.340 0.000 0.000 0.210 448 L C 0.185 176.697 176.870 -0.597 0.000 1.092 448 L CA 2.462 56.925 54.840 -0.627 0.000 0.759 448 L CB -0.848 40.984 42.059 -0.378 0.000 0.903 448 L HN 0.194 nan 8.230 nan 0.000 0.435 449 P HA -0.086 nan 4.420 nan 0.000 0.239 449 P C 1.685 178.747 177.300 -0.397 0.000 1.184 449 P CA 0.969 63.501 63.100 -0.947 0.000 0.760 449 P CB 0.021 30.996 31.700 -1.207 0.000 0.884 450 L N -0.993 120.024 121.223 -0.344 0.000 2.179 450 L HA -0.024 4.316 4.340 0.000 0.000 0.208 450 L C 1.206 178.041 176.870 -0.058 0.000 1.096 450 L CA 0.409 55.110 54.840 -0.231 0.000 0.779 450 L CB -0.799 41.115 42.059 -0.242 0.000 0.922 450 L HN -0.056 nan 8.230 nan 0.000 0.443 451 E N 1.767 121.992 120.200 0.040 0.000 2.562 451 E HA -0.143 4.208 4.350 0.000 0.000 0.241 451 E C 1.098 177.782 176.600 0.139 0.000 1.136 451 E CA 0.074 56.594 56.400 0.199 0.000 0.952 451 E CB 0.334 30.047 29.700 0.021 0.000 0.975 451 E HN 0.258 nan 8.360 nan 0.000 0.494 452 R N 2.991 123.591 120.500 0.167 0.000 2.377 452 R HA -0.032 4.309 4.340 0.000 0.000 0.207 452 R C 0.052 176.394 176.300 0.070 0.000 1.075 452 R CA 0.768 56.917 56.100 0.081 0.000 1.035 452 R CB -0.036 30.302 30.300 0.062 0.000 0.857 452 R HN 0.151 nan 8.270 nan 0.000 0.475 453 R N 1.187 121.735 120.500 0.080 0.000 2.335 453 R HA 0.315 4.656 4.340 0.000 0.000 0.302 453 R C -1.206 175.101 176.300 0.012 0.000 1.147 453 R CA -0.319 55.805 56.100 0.040 0.000 1.111 453 R CB 0.868 31.192 30.300 0.040 0.000 1.122 453 R HN 0.152 nan 8.270 nan 0.000 0.557 457 T N -1.427 113.235 114.554 0.179 0.000 2.734 457 T HA 0.094 4.444 4.350 0.000 0.000 0.314 457 T C 1.033 175.773 174.700 0.068 0.000 1.057 457 T CA -0.010 62.151 62.100 0.101 0.000 1.047 457 T CB 1.181 70.110 68.868 0.102 0.000 0.991 457 T HN 0.839 nan 8.240 nan 0.000 0.540 458 K N 0.510 120.929 120.400 0.032 0.000 2.155 458 K HA 0.107 4.427 4.320 0.000 0.000 0.203 458 K C 2.510 179.101 176.600 -0.015 0.000 1.052 458 K CA 1.001 57.290 56.287 0.002 0.000 0.948 458 K CB -0.789 31.708 32.500 -0.005 0.000 0.728 458 K HN 0.730 nan 8.250 nan 0.000 0.448 459 A N 1.352 124.166 122.820 -0.009 0.000 1.908 459 A HA -0.212 4.108 4.320 0.000 0.000 0.218 459 A C 1.786 179.331 177.584 -0.064 0.000 1.181 459 A CA 1.758 53.772 52.037 -0.040 0.000 0.627 459 A CB -0.471 18.506 19.000 -0.037 0.000 0.818 459 A HN 0.437 nan 8.150 nan 0.000 0.445 460 E N -0.731 119.456 120.200 -0.022 0.000 2.153 460 E HA -0.199 4.152 4.350 0.000 0.000 0.194 460 E C 1.982 178.540 176.600 -0.070 0.000 0.988 460 E CA 1.040 57.451 56.400 0.019 0.000 0.811 460 E CB -0.128 29.655 29.700 0.140 0.000 0.746 460 E HN 0.776 nan 8.360 nan 0.000 0.466 461 E N 0.617 120.761 120.200 -0.093 0.000 2.208 461 E HA -0.159 4.192 4.350 0.000 0.000 0.193 461 E C 1.938 178.473 176.600 -0.108 0.000 0.988 461 E CA 0.445 56.765 56.400 -0.133 0.000 0.828 461 E CB 0.130 29.765 29.700 -0.108 0.000 0.763 461 E HN 0.174 nan 8.360 nan 0.000 0.478 462 I N 0.681 121.203 120.570 -0.080 0.000 2.193 462 I HA -0.248 3.922 4.170 0.000 0.000 0.240 462 I C 2.382 178.456 176.117 -0.071 0.000 1.084 462 I CA 0.552 61.808 61.300 -0.072 0.000 1.365 462 I CB -0.313 37.649 38.000 -0.062 0.000 1.064 462 I HN 0.187 nan 8.210 nan 0.000 0.410 463 L N -0.205 120.973 121.223 -0.076 0.000 2.012 463 L HA -0.232 4.109 4.340 0.000 0.000 0.210 463 L C 2.628 179.480 176.870 -0.029 0.000 1.073 463 L CA 2.154 56.946 54.840 -0.079 0.000 0.748 463 L CB -0.974 40.993 42.059 -0.153 0.000 0.891 463 L HN 0.282 nan 8.230 nan 0.000 0.431 464 S N -0.824 114.889 115.700 0.022 0.000 2.359 464 S HA -0.295 4.176 4.470 0.000 0.000 0.224 464 S C 2.267 176.805 174.600 -0.103 0.000 1.035 464 S CA 1.577 59.755 58.200 -0.037 0.000 1.018 464 S CB -0.411 62.676 63.200 -0.189 0.000 0.876 464 S HN 0.561 nan 8.310 nan 0.000 0.448 465 R N 1.150 121.591 120.500 -0.099 0.000 2.083 465 R HA -0.036 4.304 4.340 0.000 0.000 0.237 465 R C 2.411 178.686 176.300 -0.042 0.000 1.137 465 R CA 2.403 58.454 56.100 -0.081 0.000 0.951 465 R CB -0.996 29.254 30.300 -0.082 0.000 0.851 465 R HN 0.460 nan 8.270 nan 0.000 0.434 466 S N 0.455 116.136 115.700 -0.032 0.000 2.351 466 S HA -0.157 4.313 4.470 0.000 0.000 0.220 466 S C 2.021 176.643 174.600 0.037 0.000 1.035 466 S CA 1.639 59.843 58.200 0.006 0.000 1.031 466 S CB -0.478 62.718 63.200 -0.006 0.000 0.928 466 S HN 0.307 nan 8.310 nan 0.000 0.433 467 I N 1.362 121.914 120.570 -0.029 0.000 2.151 467 I HA -0.190 3.980 4.170 0.000 0.000 0.243 467 I C 2.309 178.402 176.117 -0.041 0.000 1.080 467 I CA 1.107 62.351 61.300 -0.093 0.000 1.339 467 I CB -0.646 37.128 38.000 -0.378 0.000 1.039 467 I HN 0.152 nan 8.210 nan 0.000 0.409 468 V N 1.020 120.874 119.914 -0.100 0.000 2.332 468 V HA -0.321 3.800 4.120 0.000 0.000 0.248 468 V C 2.541 178.679 176.094 0.074 0.000 1.055 468 V CA 2.154 64.426 62.300 -0.046 0.000 1.038 468 V CB -0.624 31.152 31.823 -0.077 0.000 0.651 468 V HN 0.376 nan 8.190 nan 0.000 0.450 469 K N 0.361 120.810 120.400 0.082 0.000 2.025 469 K HA -0.113 4.208 4.320 0.000 0.000 0.207 469 K C 2.241 178.946 176.600 0.174 0.000 1.049 469 K CA 1.450 57.802 56.287 0.108 0.000 0.933 469 K CB -0.350 32.200 32.500 0.084 0.000 0.714 469 K HN 0.320 nan 8.250 nan 0.000 0.438 470 R N -0.818 119.833 120.500 0.251 0.000 2.083 470 R HA -0.160 4.180 4.340 0.000 0.000 0.237 470 R C 2.360 178.853 176.300 0.322 0.000 1.137 470 R CA 1.887 58.187 56.100 0.333 0.000 0.951 470 R CB -0.540 30.059 30.300 0.499 0.000 0.851 470 R HN 0.407 nan 8.270 nan 0.000 0.434 471 W N 0.361 121.680 121.300 0.031 0.000 2.354 471 W HA -0.176 4.484 4.660 0.000 0.000 0.315 471 W C 2.443 178.940 176.519 -0.037 0.000 1.206 471 W CA 1.048 58.380 57.345 -0.022 0.000 1.290 471 W CB -0.313 29.084 29.460 -0.106 0.000 1.152 471 W HN 0.240 nan 8.180 nan 0.000 0.489 472 A N 0.528 123.442 122.820 0.157 0.000 1.933 472 A HA -0.233 4.088 4.320 0.000 0.000 0.218 472 A C 1.787 179.328 177.584 -0.073 0.000 1.175 472 A CA 1.845 53.888 52.037 0.009 0.000 0.628 472 A CB -1.038 17.965 19.000 0.005 0.000 0.814 472 A HN 0.272 nan 8.150 nan 0.000 0.444 473 N N -0.881 117.823 118.700 0.006 0.000 2.058 473 N HA -0.159 4.581 4.740 0.000 0.000 0.191 473 N C 1.522 176.996 175.510 -0.060 0.000 1.037 473 N CA 1.647 54.690 53.050 -0.011 0.000 0.848 473 N CB -0.651 37.929 38.487 0.156 0.000 1.021 473 N HN 0.525 nan 8.380 nan 0.000 0.422 474 F N 1.884 121.746 119.950 -0.147 0.000 2.043 474 F HA -0.252 4.275 4.527 0.000 0.000 0.297 474 F C 2.284 177.983 175.800 -0.169 0.000 1.121 474 F CA 1.990 59.873 58.000 -0.195 0.000 1.199 474 F CB -0.631 38.181 39.000 -0.314 0.000 0.968 474 F HN 0.063 nan 8.300 nan 0.000 0.478 475 A N 0.113 122.886 122.820 -0.078 0.000 1.892 475 A HA -0.270 4.051 4.320 0.000 0.000 0.218 475 A C 2.240 179.655 177.584 -0.280 0.000 1.188 475 A CA 2.301 54.238 52.037 -0.167 0.000 0.631 475 A CB -0.820 18.125 19.000 -0.092 0.000 0.822 475 A HN 0.538 nan 8.150 nan 0.000 0.447 476 K N -1.996 118.163 120.400 -0.403 0.000 2.025 476 K HA -0.074 4.247 4.320 0.000 0.000 0.207 476 K C 0.991 177.310 176.600 -0.469 0.000 1.049 476 K CA 1.758 57.675 56.287 -0.617 0.000 0.933 476 K CB -0.202 31.544 32.500 -1.256 0.000 0.714 476 K HN 0.732 nan 8.250 nan 0.000 0.438 477 Y N -0.974 119.250 120.300 -0.128 0.000 2.641 477 Y HA 0.251 4.802 4.550 0.000 0.000 0.248 477 Y C 0.926 176.719 175.900 -0.178 0.000 1.170 477 Y CA -0.339 57.692 58.100 -0.116 0.000 1.201 477 Y CB 1.321 39.744 38.460 -0.062 0.000 1.232 477 Y HN 0.158 nan 8.280 nan 0.000 0.537 478 G N 2.022 110.662 108.800 -0.268 0.000 2.258 478 G HA2 -0.354 3.607 3.960 0.000 0.000 0.274 478 G HA3 -0.354 3.607 3.960 0.000 0.000 0.274 478 G C -0.354 174.436 174.900 -0.183 0.000 1.021 478 G CA 0.713 45.541 45.100 -0.453 0.000 0.798 478 G HN 0.414 nan 8.290 nan 0.000 0.507 479 N N -0.546 118.091 118.700 -0.105 0.000 2.599 479 N HA 0.419 5.159 4.740 0.000 0.000 0.283 479 N C -2.975 172.473 175.510 -0.102 0.000 1.160 479 N CA -1.774 51.224 53.050 -0.085 0.000 0.869 479 N CB 2.130 40.632 38.487 0.025 0.000 1.448 479 N HN -0.059 nan 8.380 nan 0.000 0.535 480 P HA 0.229 nan 4.420 nan 0.000 0.208 480 P C -0.674 176.658 177.300 0.053 0.000 1.837 480 P CA -0.240 62.781 63.100 -0.132 0.000 0.953 480 P CB 0.191 31.641 31.700 -0.418 0.000 1.870 481 Q N 0.676 120.518 119.800 0.069 0.000 2.221 481 Q HA 0.297 4.637 4.340 0.000 0.000 0.242 481 Q C 0.181 176.272 176.000 0.153 0.000 0.940 481 Q CA -0.101 55.788 55.803 0.144 0.000 0.896 481 Q CB 1.386 30.188 28.738 0.106 0.000 1.226 481 Q HN 0.175 nan 8.270 nan 0.000 0.463 482 E N 1.630 121.915 120.200 0.141 0.000 2.256 482 E HA 0.122 4.472 4.350 0.000 0.000 0.243 482 E C 0.113 176.763 176.600 0.082 0.000 0.925 482 E CA -0.230 56.236 56.400 0.109 0.000 0.748 482 E CB 0.538 30.297 29.700 0.097 0.000 1.206 482 E HN 0.690 nan 8.360 nan 0.000 0.428 483 T N 0.398 114.997 114.554 0.076 0.000 3.055 483 T HA 0.023 4.373 4.350 0.000 0.000 0.265 483 T C 1.230 175.956 174.700 0.044 0.000 1.111 483 T CA 0.684 62.819 62.100 0.058 0.000 1.118 483 T CB 0.431 69.329 68.868 0.050 0.000 0.909 483 T HN 0.243 nan 8.240 nan 0.000 0.501 484 Q N 0.990 120.815 119.800 0.042 0.000 1.957 484 Q HA 0.192 4.532 4.340 0.000 0.000 0.251 484 Q C 0.371 176.385 176.000 0.024 0.000 0.973 484 Q CA -0.301 55.520 55.803 0.030 0.000 0.862 484 Q CB -0.030 28.724 28.738 0.028 0.000 0.962 484 Q HN 0.363 nan 8.270 nan 0.000 0.473 485 N N 3.483 122.194 118.700 0.019 0.000 2.206 485 N HA -0.127 4.613 4.740 0.000 0.000 0.283 485 N C -0.775 174.745 175.510 0.016 0.000 1.385 485 N CA 0.577 53.634 53.050 0.012 0.000 1.002 485 N CB 0.073 38.563 38.487 0.005 0.000 1.423 485 N HN 0.280 nan 8.380 nan 0.000 0.488 486 Q N 1.112 120.921 119.800 0.015 0.000 2.740 486 Q HA -0.102 4.238 4.340 0.000 0.000 0.296 486 Q C 0.852 176.865 176.000 0.021 0.000 1.314 486 Q CA 0.200 56.015 55.803 0.020 0.000 1.037 486 Q CB -0.232 28.516 28.738 0.016 0.000 1.370 486 Q HN 0.517 nan 8.270 nan 0.000 0.489 487 S N 1.016 116.735 115.700 0.031 0.000 2.626 487 S HA 0.256 4.726 4.470 0.000 0.000 0.257 487 S C 0.371 174.994 174.600 0.038 0.000 1.288 487 S CA -0.524 57.696 58.200 0.034 0.000 0.980 487 S CB 1.086 64.318 63.200 0.054 0.000 0.975 487 S HN 0.502 nan 8.310 nan 0.000 0.577 488 T N -0.141 114.435 114.554 0.036 0.000 2.753 488 T HA 0.510 4.860 4.350 0.000 0.000 0.297 488 T C 0.324 175.077 174.700 0.088 0.000 0.981 488 T CA -0.350 61.779 62.100 0.049 0.000 0.956 488 T CB 0.306 69.190 68.868 0.028 0.000 0.936 488 T HN 1.005 nan 8.240 nan 0.000 0.463 489 S N 3.897 119.667 115.700 0.116 0.000 2.563 489 S HA 0.091 4.561 4.470 0.000 0.000 0.284 489 S C -0.297 174.471 174.600 0.280 0.000 1.331 489 S CA -0.781 57.526 58.200 0.178 0.000 1.047 489 S CB 0.037 63.327 63.200 0.150 0.000 0.859 489 S HN 0.826 nan 8.310 nan 0.000 0.514 490 W N 5.757 127.122 121.300 0.108 0.000 2.291 490 W HA 0.501 5.161 4.660 0.001 0.000 0.312 490 W C -2.647 174.046 176.519 0.290 0.000 1.061 490 W CA -2.897 54.549 57.345 0.167 0.000 1.296 490 W CB 0.717 30.241 29.460 0.106 0.000 1.223 490 W HN 0.588 nan 8.180 nan 0.000 0.421 491 P HA 0.170 nan 4.420 nan 0.000 0.284 491 P C -0.527 177.042 177.300 0.448 0.000 1.258 491 P CA -0.268 63.104 63.100 0.454 0.000 0.824 491 P CB 1.795 33.682 31.700 0.310 0.000 1.038 492 V N 2.729 122.788 119.914 0.241 0.000 2.694 492 V HA -0.110 4.010 4.120 0.000 0.000 0.306 492 V C 0.766 176.897 176.094 0.063 0.000 1.054 492 V CA 0.332 62.577 62.300 -0.093 0.000 1.161 492 V CB -0.902 30.847 31.823 -0.123 0.000 0.916 492 V HN 0.446 nan 8.190 nan 0.000 0.490 493 F N 6.215 126.113 119.950 -0.087 0.000 2.541 493 F HA 0.290 4.817 4.527 0.000 0.000 0.347 493 F C 0.789 176.585 175.800 -0.007 0.000 1.242 493 F CA -0.269 57.751 58.000 0.033 0.000 1.123 493 F CB -0.244 38.808 39.000 0.087 0.000 1.354 493 F HN 0.434 nan 8.300 nan 0.000 0.621 494 K N 2.880 123.188 120.400 -0.154 0.000 2.185 494 K HA 0.091 4.411 4.320 0.000 0.000 0.271 494 K C 1.373 177.840 176.600 -0.222 0.000 1.013 494 K CA -0.201 56.017 56.287 -0.114 0.000 0.943 494 K CB 1.568 34.016 32.500 -0.087 0.000 0.998 494 K HN 0.536 nan 8.250 nan 0.000 0.468 495 S N 1.383 117.040 115.700 -0.072 0.000 2.387 495 S HA -0.177 4.294 4.470 0.000 0.000 0.230 495 S C 1.285 175.818 174.600 -0.112 0.000 1.035 495 S CA 2.297 60.470 58.200 -0.044 0.000 1.014 495 S CB -0.108 63.089 63.200 -0.006 0.000 0.836 495 S HN 0.767 nan 8.310 nan 0.000 0.466 496 T N 1.824 116.307 114.554 -0.118 0.000 2.613 496 T HA -0.029 4.321 4.350 0.000 0.000 0.248 496 T C 1.602 176.213 174.700 -0.148 0.000 1.107 496 T CA 1.320 63.358 62.100 -0.104 0.000 1.238 496 T CB -0.871 67.952 68.868 -0.074 0.000 0.899 496 T HN 0.561 nan 8.240 nan 0.000 0.400 497 E N 1.601 121.708 120.200 -0.156 0.000 2.130 497 E HA -0.151 4.199 4.350 0.000 0.000 0.196 497 E C 0.597 177.070 176.600 -0.212 0.000 0.998 497 E CA 0.822 57.136 56.400 -0.144 0.000 0.806 497 E CB -0.462 29.177 29.700 -0.102 0.000 0.738 497 E HN 0.512 nan 8.360 nan 0.000 0.459 498 Q N -0.066 119.454 119.800 -0.467 0.000 2.470 498 Q HA -0.178 4.163 4.340 0.000 0.000 0.290 498 Q C -1.031 174.823 176.000 -0.243 0.000 1.353 498 Q CA 0.398 55.757 55.803 -0.740 0.000 0.787 498 Q CB -1.257 27.285 28.738 -0.327 0.000 1.158 498 Q HN 0.246 nan 8.270 nan 0.000 0.426 499 K N 0.659 120.969 120.400 -0.151 0.000 2.355 499 K HA 0.373 4.693 4.320 0.000 0.000 0.270 499 K C -0.131 176.792 176.600 0.538 0.000 1.003 499 K CA 0.232 56.609 56.287 0.150 0.000 0.957 499 K CB 0.399 32.984 32.500 0.142 0.000 0.939 499 K HN 0.287 nan 8.250 nan 0.000 0.482 500 Y N -0.906 119.655 120.300 0.435 0.000 2.625 500 Y HA 0.591 5.141 4.550 0.001 0.000 0.338 500 Y C -1.750 174.398 175.900 0.412 0.000 1.123 500 Y CA -1.644 56.821 58.100 0.608 0.000 1.046 500 Y CB 0.820 39.688 38.460 0.679 0.000 1.299 500 Y HN 0.325 nan 8.280 nan 0.000 0.464 501 L N 2.882 124.381 121.223 0.460 0.000 2.307 501 L HA 0.645 4.985 4.340 0.000 0.000 0.284 501 L C -0.069 176.888 176.870 0.144 0.000 1.023 501 L CA -0.214 54.599 54.840 -0.044 0.000 0.810 501 L CB 1.767 43.294 42.059 -0.887 0.000 1.231 501 L HN 0.934 nan 8.230 nan 0.000 0.423 502 T N 3.470 118.086 114.554 0.103 0.000 2.817 502 T HA 0.533 4.884 4.350 0.000 0.000 0.293 502 T C -0.202 174.502 174.700 0.008 0.000 0.964 502 T CA -0.567 61.657 62.100 0.207 0.000 1.085 502 T CB 0.425 69.444 68.868 0.250 0.000 0.921 502 T HN 0.506 nan 8.240 nan 0.000 0.502 503 L N 4.695 125.906 121.223 -0.020 0.000 2.298 503 L HA 0.570 4.910 4.340 0.000 0.000 0.284 503 L C -0.374 176.309 176.870 -0.312 0.000 1.013 503 L CA -0.754 53.989 54.840 -0.160 0.000 0.824 503 L CB 0.744 42.733 42.059 -0.116 0.000 1.221 503 L HN 0.905 nan 8.230 nan 0.000 0.418 504 N N -0.545 117.994 118.700 -0.268 0.000 3.020 504 N HA 0.197 4.937 4.740 0.000 0.000 0.248 504 N C 0.223 175.579 175.510 -0.256 0.000 1.480 504 N CA -0.536 52.343 53.050 -0.286 0.000 0.874 504 N CB 0.628 39.016 38.487 -0.164 0.000 1.433 504 N HN 0.265 nan 8.380 nan 0.000 0.530 505 T N -3.049 111.349 114.554 -0.260 0.000 3.055 505 T HA 0.135 4.485 4.350 0.000 0.000 0.265 505 T C 0.211 174.849 174.700 -0.103 0.000 1.111 505 T CA 1.182 63.151 62.100 -0.218 0.000 1.118 505 T CB -0.141 68.592 68.868 -0.225 0.000 0.909 505 T HN 0.614 nan 8.240 nan 0.000 0.501 506 E N 1.145 121.300 120.200 -0.074 0.000 3.980 506 E HA 0.362 4.712 4.350 0.000 0.000 0.275 506 E C 0.162 176.742 176.600 -0.033 0.000 0.939 506 E CA -0.490 55.888 56.400 -0.038 0.000 1.170 506 E CB -0.143 29.549 29.700 -0.013 0.000 2.606 506 E HN 0.065 nan 8.360 nan 0.000 0.510 507 S N 1.336 117.027 115.700 -0.017 0.000 2.671 507 S HA -0.011 4.459 4.470 0.000 0.000 0.331 507 S C -0.009 174.583 174.600 -0.013 0.000 1.182 507 S CA 0.034 58.230 58.200 -0.007 0.000 1.276 507 S CB -0.864 62.342 63.200 0.010 0.000 1.360 507 S HN 0.341 nan 8.310 nan 0.000 0.563 508 T N 6.971 121.510 114.554 -0.025 0.000 4.098 508 T HA 0.220 4.570 4.350 0.000 0.000 0.291 508 T C 0.434 175.117 174.700 -0.029 0.000 1.440 508 T CA -0.624 61.454 62.100 -0.036 0.000 1.164 508 T CB -0.446 68.390 68.868 -0.054 0.000 1.313 508 T HN 0.508 nan 8.240 nan 0.000 0.951 509 R N 2.347 122.836 120.500 -0.018 0.000 2.560 509 R HA 0.435 4.775 4.340 0.000 0.000 0.270 509 R C 0.237 176.499 176.300 -0.063 0.000 1.074 509 R CA -0.522 55.561 56.100 -0.028 0.000 1.140 509 R CB 0.934 31.223 30.300 -0.019 0.000 1.073 509 R HN 0.537 nan 8.270 nan 0.000 0.527 510 I N 2.988 123.520 120.570 -0.063 0.000 2.365 510 I HA 0.266 4.436 4.170 0.000 0.000 0.291 510 I C 0.576 176.578 176.117 -0.191 0.000 1.004 510 I CA 0.075 61.316 61.300 -0.098 0.000 1.311 510 I CB 0.921 38.919 38.000 -0.003 0.000 1.401 510 I HN 0.259 nan 8.210 nan 0.000 0.491 511 M N 4.213 123.546 119.600 -0.446 0.000 2.719 511 M HA 0.543 5.023 4.480 0.000 0.000 0.291 511 M C -0.856 175.159 176.300 -0.474 0.000 1.264 511 M CA -0.698 54.288 55.300 -0.524 0.000 0.811 511 M CB 2.781 34.975 32.600 -0.676 0.000 1.756 511 M HN 0.524 nan 8.290 nan 0.000 0.464 512 T N -1.812 112.678 114.554 -0.106 0.000 2.912 512 T HA 0.496 4.846 4.350 0.000 0.000 0.299 512 T C -0.935 173.924 174.700 0.264 0.000 1.052 512 T CA -1.096 61.076 62.100 0.119 0.000 0.996 512 T CB 1.726 70.616 68.868 0.037 0.000 1.070 512 T HN 0.697 nan 8.240 nan 0.000 0.465 513 K N 0.871 121.425 120.400 0.258 0.000 4.007 513 K HA -0.174 4.146 4.320 0.000 0.000 0.279 513 K C -0.227 176.482 176.600 0.182 0.000 0.919 513 K CA -0.227 56.166 56.287 0.177 0.000 0.800 513 K CB -1.358 31.201 32.500 0.099 0.000 1.572 513 K HN 0.627 nan 8.250 nan 0.000 0.443 514 L N 1.829 123.132 121.223 0.133 0.000 2.490 514 L HA 0.023 4.363 4.340 0.000 0.000 0.274 514 L C 0.744 177.598 176.870 -0.028 0.000 1.201 514 L CA 0.535 55.312 54.840 -0.105 0.000 0.869 514 L CB 0.318 42.028 42.059 -0.582 0.000 1.123 514 L HN 0.414 nan 8.230 nan 0.000 0.484 515 R N 2.895 123.398 120.500 0.004 0.000 3.405 515 R HA -0.261 4.079 4.340 0.000 0.000 0.258 515 R C 1.089 177.456 176.300 0.111 0.000 1.030 515 R CA 0.840 56.990 56.100 0.084 0.000 0.691 515 R CB -2.494 27.881 30.300 0.125 0.000 1.093 515 R HN 0.890 nan 8.270 nan 0.000 0.448 516 A N 0.313 123.188 122.820 0.093 0.000 1.908 516 A HA -0.249 4.072 4.320 0.000 0.000 0.218 516 A C 2.096 179.745 177.584 0.108 0.000 1.181 516 A CA 1.730 53.823 52.037 0.094 0.000 0.627 516 A CB -0.097 18.951 19.000 0.079 0.000 0.818 516 A HN 0.482 nan 8.150 nan 0.000 0.445 517 Q N -0.808 119.057 119.800 0.109 0.000 2.049 517 Q HA -0.126 4.214 4.340 0.000 0.000 0.198 517 Q C 2.252 178.352 176.000 0.168 0.000 0.971 517 Q CA 1.748 57.630 55.803 0.132 0.000 0.833 517 Q CB -0.303 28.492 28.738 0.096 0.000 0.896 517 Q HN 0.686 nan 8.270 nan 0.000 0.434 518 Q N -0.499 119.398 119.800 0.162 0.000 2.096 518 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 518 Q C 2.030 178.183 176.000 0.255 0.000 0.982 518 Q CA 1.607 57.478 55.803 0.113 0.000 0.850 518 Q CB -0.470 28.440 28.738 0.286 0.000 0.901 518 Q HN 0.394 nan 8.270 nan 0.000 0.422 519 c N -0.411 118.354 118.600 0.274 0.000 2.485 519 c HA 0.081 4.652 4.570 0.000 0.000 0.277 519 c C 2.314 176.543 174.090 0.231 0.000 1.376 519 c CA -0.175 56.340 56.329 0.310 0.000 1.759 519 c CB -0.588 42.056 42.510 0.223 0.000 1.970 519 c HN 0.473 nan 8.230 nan 0.000 0.509 520 R N 0.481 121.081 120.500 0.167 0.000 2.096 520 R HA -0.191 4.149 4.340 0.000 0.000 0.240 520 R C 2.078 178.460 176.300 0.136 0.000 1.139 520 R CA 1.927 58.111 56.100 0.141 0.000 0.952 520 R CB -0.750 29.623 30.300 0.123 0.000 0.854 520 R HN 0.582 nan 8.270 nan 0.000 0.436 521 F N 0.159 120.047 119.950 -0.105 0.000 2.091 521 F HA -0.255 4.272 4.527 0.001 0.000 0.299 521 F C 1.685 177.418 175.800 -0.111 0.000 1.103 521 F CA 1.612 59.443 58.000 -0.281 0.000 1.228 521 F CB -0.360 38.060 39.000 -0.968 0.000 0.984 521 F HN 0.032 nan 8.300 nan 0.000 0.477 522 W N -0.205 121.147 121.300 0.087 0.000 2.518 522 W HA -0.042 4.618 4.660 0.000 0.000 0.273 522 W C 2.518 179.099 176.519 0.103 0.000 1.247 522 W CA 1.137 58.527 57.345 0.076 0.000 1.288 522 W CB -0.730 28.869 29.460 0.232 0.000 1.107 522 W HN -0.155 nan 8.180 nan 0.000 0.586 523 T N -0.663 114.061 114.554 0.283 0.000 2.809 523 T HA -0.142 4.208 4.350 0.000 0.000 0.260 523 T C 1.912 176.693 174.700 0.135 0.000 1.039 523 T CA 2.025 64.243 62.100 0.196 0.000 1.141 523 T CB -0.339 68.625 68.868 0.160 0.000 0.869 523 T HN 0.174 nan 8.240 nan 0.000 0.437 524 S N -0.226 115.537 115.700 0.104 0.000 2.807 524 S HA 0.221 4.691 4.470 0.000 0.000 0.247 524 S C 1.674 176.285 174.600 0.018 0.000 1.078 524 S CA -0.348 57.890 58.200 0.063 0.000 0.867 524 S CB -0.797 62.444 63.200 0.069 0.000 0.797 524 S HN 0.299 nan 8.310 nan 0.000 0.515 525 F N 2.034 121.913 119.950 -0.117 0.000 2.075 525 F HA 0.092 4.619 4.527 0.001 0.000 0.297 525 F C 1.978 177.617 175.800 -0.268 0.000 1.113 525 F CA 1.512 59.404 58.000 -0.180 0.000 1.218 525 F CB -0.451 38.452 39.000 -0.162 0.000 0.984 525 F HN 0.255 nan 8.300 nan 0.000 0.472 526 F N 1.633 121.337 119.950 -0.410 0.000 2.146 526 F HA 0.017 4.544 4.527 0.001 0.000 0.298 526 F C -0.953 174.718 175.800 -0.215 0.000 1.096 526 F CA 0.841 58.563 58.000 -0.463 0.000 1.275 526 F CB -1.794 36.778 39.000 -0.714 0.000 1.008 526 F HN -0.080 nan 8.300 nan 0.000 0.480 527 P HA -0.148 nan 4.420 nan 0.000 0.225 527 P C 0.848 178.020 177.300 -0.214 0.000 1.148 527 P CA 1.703 64.739 63.100 -0.106 0.000 0.779 527 P CB -0.115 31.603 31.700 0.031 0.000 0.780 528 K N -1.173 119.053 120.400 -0.290 0.000 2.426 528 K HA 0.078 4.399 4.320 0.000 0.000 0.193 528 K C 1.284 177.645 176.600 -0.398 0.000 1.028 528 K CA 0.348 56.441 56.287 -0.323 0.000 1.047 528 K CB 0.116 32.399 32.500 -0.362 0.000 0.821 528 K HN 0.036 nan 8.250 nan 0.000 0.513 529 V N 0.751 120.375 119.914 -0.484 0.000 3.125 529 V HA -0.032 4.088 4.120 0.000 0.000 0.249 529 V C 1.730 177.601 176.094 -0.373 0.000 1.113 529 V CA 0.670 62.712 62.300 -0.432 0.000 1.106 529 V CB -0.103 31.465 31.823 -0.425 0.000 0.768 529 V HN 0.228 nan 8.190 nan 0.000 0.468 530 L N -0.045 120.908 121.223 -0.450 0.000 2.201 530 L HA -0.102 4.238 4.340 0.000 0.000 0.212 530 L C 2.354 179.117 176.870 -0.178 0.000 1.105 530 L CA 1.445 56.098 54.840 -0.311 0.000 0.775 530 L CB -0.500 41.383 42.059 -0.292 0.000 0.913 530 L HN 0.374 nan 8.230 nan 0.000 0.440 531 E N -0.162 119.932 120.200 -0.176 0.000 2.274 531 E HA -0.142 4.208 4.350 0.000 0.000 0.194 531 E C 2.175 178.710 176.600 -0.108 0.000 0.996 531 E CA 0.908 57.235 56.400 -0.122 0.000 0.840 531 E CB 0.043 29.672 29.700 -0.118 0.000 0.772 531 E HN 0.529 nan 8.360 nan 0.000 0.491 532 M N -0.484 119.039 119.600 -0.127 0.000 2.276 532 M HA -0.045 4.436 4.480 0.000 0.000 0.262 532 M C 2.270 178.533 176.300 -0.062 0.000 1.098 532 M CA 0.902 56.147 55.300 -0.092 0.000 1.167 532 M CB -0.360 32.178 32.600 -0.103 0.000 1.337 532 M HN -0.049 nan 8.290 nan 0.000 0.446 533 T N 0.804 115.315 114.554 -0.071 0.000 2.582 533 T HA -0.215 4.136 4.350 0.000 0.000 0.246 533 T C 0.837 175.524 174.700 -0.021 0.000 1.236 533 T CA 1.835 63.911 62.100 -0.040 0.000 1.125 533 T CB -0.709 68.122 68.868 -0.061 0.000 0.837 533 T HN 0.661 nan 8.240 nan 0.000 0.458 534 G N 0.000 108.781 108.800 -0.032 0.000 5.446 534 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 534 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 534 G CA 0.000 45.086 45.100 -0.023 0.000 0.502 534 G HN 0.000 nan 8.290 nan 0.000 0.925