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 1upm_1_L DATA FIRST_RESID 9 DATA SEQUENCE ASVEFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.597 177.584 0.021 0.000 1.274 9 A CA 0.000 52.045 52.037 0.014 0.000 0.836 9 A CB 0.000 19.007 19.000 0.011 0.000 0.831 10 S N -0.466 115.251 115.700 0.028 0.000 3.459 10 S HA 0.036 4.506 4.470 -0.000 0.000 0.622 10 S C -0.114 174.510 174.600 0.040 0.000 0.790 10 S CA 0.192 58.416 58.200 0.040 0.000 1.329 10 S CB -1.729 61.497 63.200 0.044 0.000 1.315 10 S HN 2.290 nan 8.310 nan 0.000 0.683 11 V N 2.279 122.221 119.914 0.048 0.000 2.713 11 V HA 0.828 4.948 4.120 -0.000 0.000 0.307 11 V C 0.840 176.978 176.094 0.073 0.000 1.052 11 V CA 0.464 62.793 62.300 0.047 0.000 0.967 11 V CB 1.300 33.145 31.823 0.037 0.000 1.019 11 V HN 1.762 nan 8.190 nan 0.000 0.459 12 E N 4.248 124.486 120.200 0.064 0.000 2.508 12 E HA 0.076 4.426 4.350 -0.000 0.000 0.266 12 E C -0.369 176.319 176.600 0.148 0.000 1.010 12 E CA 0.074 56.527 56.400 0.089 0.000 0.955 12 E CB 0.048 nan 29.700 nan 0.000 0.946 12 E HN 0.954 nan 8.360 nan 0.000 0.454 13 F N 1.938 121.910 119.950 0.037 0.000 2.506 13 F HA 0.437 4.964 4.527 -0.000 0.000 0.371 13 F C 0.256 176.074 175.800 0.030 0.000 1.078 13 F CA -0.614 57.419 58.000 0.056 0.000 1.195 13 F CB 1.158 40.216 39.000 0.097 0.000 1.099 13 F HN 0.313 nan 8.300 nan 0.000 0.548 14 K N 6.166 126.324 120.400 -0.404 0.000 2.449 14 K HA 0.621 4.941 4.320 -0.000 0.000 0.257 14 K C -0.922 175.227 176.600 -0.752 0.000 0.989 14 K CA -0.498 55.464 56.287 -0.542 0.000 0.916 14 K CB 0.787 33.158 32.500 -0.215 0.000 1.136 14 K HN 0.708 nan 8.250 nan 0.000 0.439 15 A N 2.819 125.040 122.820 -0.999 0.000 2.511 15 A HA 0.579 4.899 4.320 -0.000 0.000 0.242 15 A C 0.531 177.970 177.584 -0.242 0.000 1.069 15 A CA 0.963 52.668 52.037 -0.553 0.000 0.763 15 A CB -0.435 18.358 19.000 -0.345 0.000 1.001 15 A HN 1.060 nan 8.150 nan 0.000 0.498 16 G N -0.618 108.096 108.800 -0.143 0.000 2.359 16 G HA2 0.477 4.437 3.960 -0.000 0.000 0.314 16 G HA3 0.477 4.437 3.960 -0.000 0.000 0.314 16 G C -0.633 174.209 174.900 -0.096 0.000 1.364 16 G CA -0.151 44.892 45.100 -0.095 0.000 0.978 16 G HN 2.161 nan 8.290 nan 0.000 0.615 17 V N -0.162 119.722 119.914 -0.051 0.000 2.644 17 V HA 0.958 5.078 4.120 -0.000 0.000 0.295 17 V C 0.108 176.168 176.094 -0.056 0.000 1.053 17 V CA 0.512 62.779 62.300 -0.054 0.000 0.987 17 V CB 1.278 33.129 31.823 0.046 0.000 1.006 17 V HN 1.401 nan 8.190 nan 0.000 0.472 18 K N 2.515 122.862 120.400 -0.089 0.000 2.499 18 K HA 0.550 4.870 4.320 -0.000 0.000 0.277 18 K C -1.469 175.056 176.600 -0.125 0.000 1.025 18 K CA -0.966 55.275 56.287 -0.076 0.000 0.900 18 K CB 1.567 34.036 32.500 -0.050 0.000 1.494 18 K HN 0.502 nan 8.250 nan 0.000 0.442 19 D N 0.772 121.126 120.400 -0.077 0.000 2.382 19 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 19 D C 0.642 176.926 176.300 -0.028 0.000 1.120 19 D CA 0.036 53.994 54.000 -0.071 0.000 0.890 19 D CB 0.291 41.089 40.800 -0.003 0.000 1.201 19 D HN 0.433 nan 8.370 nan 0.000 0.433 20 Y N 1.181 121.522 120.300 0.068 0.000 2.256 20 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 20 Y C 2.292 178.318 175.900 0.209 0.000 1.155 20 Y CA 1.235 59.423 58.100 0.147 0.000 1.203 20 Y CB -0.309 38.170 38.460 0.032 0.000 0.980 20 Y HN 0.464 nan 8.280 nan 0.000 0.530 21 K N 0.303 120.860 120.400 0.261 0.000 2.283 21 K HA -0.097 4.223 4.320 -0.000 0.000 0.202 21 K C 1.618 178.334 176.600 0.194 0.000 1.048 21 K CA 1.343 57.765 56.287 0.225 0.000 0.948 21 K CB -0.646 31.926 32.500 0.121 0.000 0.742 21 K HN 0.324 nan 8.250 nan 0.000 0.458 22 L N 1.292 122.596 121.223 0.135 0.000 2.127 22 L HA -0.127 4.212 4.340 -0.000 0.000 0.211 22 L C 1.712 178.604 176.870 0.037 0.000 1.089 22 L CA 1.472 56.359 54.840 0.077 0.000 0.757 22 L CB -0.458 41.629 42.059 0.046 0.000 0.899 22 L HN 0.345 nan 8.230 nan 0.000 0.434 23 T N -3.178 111.395 114.554 0.032 0.000 2.999 23 T HA 0.048 4.398 4.350 -0.000 0.000 0.247 23 T C 0.946 175.440 174.700 -0.344 0.000 1.012 23 T CA 0.299 62.267 62.100 -0.219 0.000 1.048 23 T CB 0.135 68.761 68.868 -0.404 0.000 1.020 23 T HN 0.140 nan 8.240 nan 0.000 0.478 24 Y N -0.161 120.201 120.300 0.103 0.000 2.481 24 Y HA 0.429 4.979 4.550 -0.000 0.000 0.247 24 Y C -0.081 175.894 175.900 0.124 0.000 1.151 24 Y CA -1.254 56.895 58.100 0.083 0.000 1.238 24 Y CB 0.449 38.962 38.460 0.088 0.000 1.179 24 Y HN 0.172 nan 8.280 nan 0.000 0.524 25 Y N 0.482 120.843 120.300 0.102 0.000 2.331 25 Y HA 0.549 5.099 4.550 -0.000 0.000 0.338 25 Y C -0.165 175.766 175.900 0.050 0.000 0.976 25 Y CA -1.040 57.099 58.100 0.064 0.000 1.137 25 Y CB 1.532 40.018 38.460 0.044 0.000 1.172 25 Y HN -0.149 nan 8.280 nan 0.000 0.478 26 T N 9.367 123.668 114.554 -0.423 0.000 3.905 26 T HA 0.180 4.530 4.350 -0.000 0.000 0.227 26 T C -2.139 172.439 174.700 -0.204 0.000 1.055 26 T CA -0.737 61.217 62.100 -0.244 0.000 1.607 26 T CB 0.394 69.205 68.868 -0.096 0.000 0.781 26 T HN 0.525 nan 8.240 nan 0.000 0.639 27 P HA -0.025 nan 4.420 nan 0.000 0.225 27 P C 0.911 178.214 177.300 0.006 0.000 1.148 27 P CA 0.927 63.902 63.100 -0.208 0.000 0.779 27 P CB 0.427 31.945 31.700 -0.304 0.000 0.780 28 E N -1.493 118.705 120.200 -0.002 0.000 2.479 28 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 28 E C 0.361 177.002 176.600 0.068 0.000 1.049 28 E CA -0.462 55.958 56.400 0.032 0.000 0.870 28 E CB -0.540 29.163 29.700 0.005 0.000 0.944 28 E HN 0.368 nan 8.360 nan 0.000 0.492 29 Y N 2.715 123.004 120.300 -0.018 0.000 2.620 29 Y HA -0.030 4.520 4.550 -0.000 0.000 0.330 29 Y C 0.171 176.026 175.900 -0.075 0.000 1.186 29 Y CA 0.084 58.160 58.100 -0.040 0.000 1.467 29 Y CB 0.381 38.825 38.460 -0.027 0.000 1.262 29 Y HN -0.172 nan 8.280 nan 0.000 0.550 30 E N 3.740 123.563 120.200 -0.629 0.000 2.227 30 E HA 0.174 4.524 4.350 -0.000 0.000 0.282 30 E C -0.268 175.708 176.600 -1.041 0.000 1.015 30 E CA -0.596 55.433 56.400 -0.619 0.000 0.823 30 E CB 0.749 30.222 29.700 -0.379 0.000 1.081 30 E HN 0.710 nan 8.360 nan 0.000 0.396 31 T N 0.922 115.073 114.554 -0.673 0.000 2.919 31 T HA 0.250 4.600 4.350 -0.000 0.000 0.302 31 T C 0.369 174.875 174.700 -0.325 0.000 1.031 31 T CA -0.608 61.195 62.100 -0.494 0.000 1.127 31 T CB 0.341 68.990 68.868 -0.365 0.000 0.952 31 T HN 0.242 nan 8.240 nan 0.000 0.540 32 L N 2.351 123.468 121.223 -0.177 0.000 2.418 32 L HA 0.292 4.632 4.340 -0.000 0.000 0.265 32 L C 1.075 177.909 176.870 -0.061 0.000 1.143 32 L CA -0.862 53.921 54.840 -0.096 0.000 0.809 32 L CB 0.449 42.496 42.059 -0.020 0.000 1.124 32 L HN 0.665 nan 8.230 nan 0.000 0.456 33 D N -0.285 120.084 120.400 -0.051 0.000 2.371 33 D HA -0.086 4.554 4.640 -0.000 0.000 0.221 33 D C 1.724 178.014 176.300 -0.017 0.000 0.986 33 D CA 0.998 54.976 54.000 -0.036 0.000 0.899 33 D CB 0.115 40.898 40.800 -0.029 0.000 0.902 33 D HN 0.709 nan 8.370 nan 0.000 0.530 34 T N -2.671 111.883 114.554 0.001 0.000 3.086 34 T HA 0.044 4.394 4.350 -0.000 0.000 0.250 34 T C 0.515 175.236 174.700 0.035 0.000 1.074 34 T CA -0.486 61.629 62.100 0.025 0.000 0.988 34 T CB 0.391 69.285 68.868 0.043 0.000 0.988 34 T HN -0.223 nan 8.240 nan 0.000 0.530 35 D N 1.654 122.072 120.400 0.031 0.000 2.341 35 D HA 0.368 5.008 4.640 -0.000 0.000 0.245 35 D C -0.153 176.152 176.300 0.007 0.000 1.106 35 D CA -0.569 53.472 54.000 0.068 0.000 0.905 35 D CB 0.792 41.645 40.800 0.087 0.000 1.202 35 D HN 0.148 nan 8.370 nan 0.000 0.426 36 I N 1.715 122.317 120.570 0.054 0.000 2.395 36 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 36 I C 0.079 176.255 176.117 0.097 0.000 1.023 36 I CA -0.154 61.113 61.300 -0.054 0.000 1.350 36 I CB 0.469 38.300 38.000 -0.282 0.000 1.409 36 I HN 0.054 nan 8.210 nan 0.000 0.507 37 L N 6.186 127.341 121.223 -0.113 0.000 2.307 37 L HA 0.791 5.131 4.340 -0.000 0.000 0.284 37 L C 0.078 176.894 176.870 -0.090 0.000 1.023 37 L CA -0.742 54.042 54.840 -0.093 0.000 0.810 37 L CB 1.334 43.137 42.059 -0.427 0.000 1.231 37 L HN 0.674 nan 8.230 nan 0.000 0.423 38 A N 2.633 125.612 122.820 0.264 0.000 2.318 38 A HA 0.811 5.131 4.320 -0.000 0.000 0.324 38 A C -0.143 177.575 177.584 0.224 0.000 1.170 38 A CA -0.520 51.616 52.037 0.165 0.000 0.810 38 A CB 1.370 20.430 19.000 0.100 0.000 1.198 38 A HN 0.766 nan 8.150 nan 0.000 0.484 39 A N 2.421 125.289 122.820 0.080 0.000 2.294 39 A HA 0.661 4.981 4.320 -0.000 0.000 0.316 39 A C -0.964 176.351 177.584 -0.450 0.000 1.359 39 A CA -0.206 51.632 52.037 -0.333 0.000 0.956 39 A CB -0.513 18.134 19.000 -0.588 0.000 1.155 39 A HN 0.604 nan 8.150 nan 0.000 0.544 40 F N 1.460 121.264 119.950 -0.243 0.000 2.427 40 F HA 0.417 4.944 4.527 -0.000 0.000 0.346 40 F C 1.004 176.691 175.800 -0.188 0.000 1.120 40 F CA -0.434 57.454 58.000 -0.188 0.000 1.033 40 F CB 1.597 40.507 39.000 -0.149 0.000 1.126 40 F HN 0.594 nan 8.300 nan 0.000 0.462 41 R N 3.640 124.158 120.500 0.030 0.000 2.309 41 R HA 0.368 4.708 4.340 -0.000 0.000 0.331 41 R C -1.107 175.212 176.300 0.031 0.000 1.116 41 R CA -0.174 55.941 56.100 0.025 0.000 0.970 41 R CB 0.301 30.612 30.300 0.017 0.000 1.024 41 R HN 0.575 nan 8.270 nan 0.000 0.472 42 V N 3.475 123.411 119.914 0.038 0.000 2.427 42 V HA 0.413 4.533 4.120 -0.000 0.000 0.286 42 V C -0.710 175.418 176.094 0.056 0.000 1.034 42 V CA -0.255 62.051 62.300 0.010 0.000 0.893 42 V CB 2.000 33.792 31.823 -0.052 0.000 0.982 42 V HN 0.718 nan 8.190 nan 0.000 0.452 43 S N 8.728 124.446 115.700 0.030 0.000 2.516 43 S HA 0.507 4.977 4.470 -0.000 0.000 0.268 43 S C -2.702 171.918 174.600 0.033 0.000 1.251 43 S CA -0.903 57.320 58.200 0.039 0.000 1.153 43 S CB 1.139 64.359 63.200 0.033 0.000 1.009 43 S HN 0.810 nan 8.310 nan 0.000 0.479 44 P HA 0.154 nan 4.420 nan 0.000 0.274 44 P C -0.120 177.188 177.300 0.012 0.000 1.237 44 P CA -0.541 62.566 63.100 0.013 0.000 0.793 44 P CB 0.485 32.195 31.700 0.018 0.000 0.977 45 Q N 1.520 121.316 119.800 -0.007 0.000 2.454 45 Q HA 0.169 4.509 4.340 -0.000 0.000 0.247 45 Q C -2.004 173.995 176.000 -0.001 0.000 1.028 45 Q CA -1.374 54.427 55.803 -0.003 0.000 0.910 45 Q CB -0.859 27.873 28.738 -0.010 0.000 1.276 45 Q HN 0.326 nan 8.270 nan 0.000 0.489 46 P HA -0.010 nan 4.420 nan 0.000 0.262 46 P C 0.473 177.770 177.300 -0.005 0.000 1.182 46 P CA 1.068 64.169 63.100 0.002 0.000 0.761 46 P CB 0.229 31.930 31.700 0.001 0.000 0.795 47 G N 1.426 110.223 108.800 -0.005 0.000 2.175 47 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 47 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 47 G C -0.077 174.808 174.900 -0.026 0.000 0.982 47 G CA -0.178 44.914 45.100 -0.013 0.000 0.641 47 G HN 0.526 nan 8.290 nan 0.000 0.527 48 V N 3.283 123.178 119.914 -0.032 0.000 2.328 48 V HA 0.484 4.604 4.120 -0.000 0.000 0.278 48 V C -1.461 174.589 176.094 -0.073 0.000 1.021 48 V CA -1.544 60.721 62.300 -0.058 0.000 0.838 48 V CB 1.434 33.214 31.823 -0.072 0.000 0.999 48 V HN 0.218 nan 8.190 nan 0.000 0.447 49 P HA 0.208 nan 4.420 nan 0.000 0.271 49 P C -2.056 175.100 177.300 -0.241 0.000 1.218 49 P CA -1.616 61.397 63.100 -0.145 0.000 0.780 49 P CB 0.423 32.042 31.700 -0.135 0.000 0.901 50 P HA -0.188 nan 4.420 nan 0.000 0.216 50 P C 1.048 178.046 177.300 -0.503 0.000 1.150 50 P CA 1.580 64.324 63.100 -0.594 0.000 0.837 50 P CB 0.127 31.064 31.700 -1.273 0.000 0.786 51 E N 0.122 120.004 120.200 -0.531 0.000 2.085 51 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 51 E C 2.107 178.462 176.600 -0.410 0.000 0.994 51 E CA 1.334 57.316 56.400 -0.698 0.000 0.801 51 E CB -0.789 28.438 29.700 -0.788 0.000 0.743 51 E HN 0.294 nan 8.360 nan 0.000 0.453 52 E N 0.153 120.198 120.200 -0.258 0.000 2.152 52 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 52 E C 1.778 178.278 176.600 -0.167 0.000 0.983 52 E CA 1.059 57.379 56.400 -0.132 0.000 0.818 52 E CB -0.202 29.449 29.700 -0.081 0.000 0.758 52 E HN 0.228 nan 8.360 nan 0.000 0.467 53 A N 0.127 122.815 122.820 -0.221 0.000 1.873 53 A HA 0.026 4.345 4.320 -0.000 0.000 0.215 53 A C 2.435 179.863 177.584 -0.259 0.000 1.186 53 A CA 1.567 53.458 52.037 -0.243 0.000 0.616 53 A CB -1.266 17.614 19.000 -0.200 0.000 0.823 53 A HN 0.394 nan 8.150 nan 0.000 0.442 54 G N -0.361 108.297 108.800 -0.237 0.000 2.421 54 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.216 54 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.216 54 G C 1.766 176.583 174.900 -0.138 0.000 1.171 54 G CA 1.547 46.536 45.100 -0.185 0.000 0.775 54 G HN 0.804 nan 8.290 nan 0.000 0.543 55 A N 1.104 123.869 122.820 -0.092 0.000 1.933 55 A HA 0.240 4.560 4.320 -0.000 0.000 0.218 55 A C 2.806 180.256 177.584 -0.225 0.000 1.175 55 A CA 2.324 54.366 52.037 0.009 0.000 0.628 55 A CB -0.747 18.341 19.000 0.146 0.000 0.814 55 A HN 0.795 nan 8.150 nan 0.000 0.444 56 A N -0.582 121.986 122.820 -0.421 0.000 1.873 56 A HA 0.021 4.341 4.320 -0.000 0.000 0.215 56 A C 2.238 179.525 177.584 -0.494 0.000 1.186 56 A CA 1.742 53.246 52.037 -0.888 0.000 0.616 56 A CB -0.955 17.505 19.000 -0.900 0.000 0.823 56 A HN 0.382 nan 8.150 nan 0.000 0.442 57 V N -0.016 119.699 119.914 -0.331 0.000 2.295 57 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 57 V C 3.081 179.039 176.094 -0.227 0.000 1.049 57 V CA 2.053 64.176 62.300 -0.296 0.000 1.024 57 V CB -1.336 30.165 31.823 -0.537 0.000 0.648 57 V HN 0.619 nan 8.190 nan 0.000 0.447 58 A N -0.030 122.676 122.820 -0.190 0.000 1.883 58 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 58 A C 2.430 179.916 177.584 -0.163 0.000 1.186 58 A CA 2.325 54.304 52.037 -0.097 0.000 0.624 58 A CB -0.873 18.117 19.000 -0.015 0.000 0.822 58 A HN 0.590 nan 8.150 nan 0.000 0.444 59 A N -0.396 122.131 122.820 -0.488 0.000 1.877 59 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 59 A C 1.975 179.331 177.584 -0.379 0.000 1.186 59 A CA 2.124 53.584 52.037 -0.961 0.000 0.620 59 A CB -0.414 17.795 19.000 -1.319 0.000 0.822 59 A HN 0.549 nan 8.150 nan 0.000 0.443 60 E N 0.349 120.400 120.200 -0.249 0.000 2.442 60 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 60 E C 1.466 178.036 176.600 -0.049 0.000 1.030 60 E CA 1.024 57.361 56.400 -0.105 0.000 0.869 60 E CB -0.195 29.466 29.700 -0.065 0.000 0.857 60 E HN 0.577 nan 8.360 nan 0.000 0.505 61 S N -1.348 114.363 115.700 0.018 0.000 2.597 61 S HA 0.194 4.664 4.470 -0.000 0.000 0.224 61 S C 1.061 175.781 174.600 0.201 0.000 0.955 61 S CA 0.234 58.514 58.200 0.133 0.000 0.933 61 S CB 0.112 63.474 63.200 0.270 0.000 0.788 61 S HN 0.237 nan 8.310 nan 0.000 0.488 62 S N 1.166 116.943 115.700 0.129 0.000 5.058 62 S HA 0.145 4.615 4.470 -0.000 0.000 0.145 62 S C 1.280 175.926 174.600 0.075 0.000 1.005 62 S CA 0.547 58.835 58.200 0.146 0.000 1.316 62 S CB -0.265 63.087 63.200 0.253 0.000 2.001 62 S HN 0.513 nan 8.310 nan 0.000 0.729 63 T N -0.703 113.917 114.554 0.110 0.000 2.975 63 T HA 0.500 4.850 4.350 -0.000 0.000 0.261 63 T C 0.795 175.556 174.700 0.102 0.000 0.984 63 T CA 0.403 62.569 62.100 0.110 0.000 0.911 63 T CB 0.216 69.200 68.868 0.194 0.000 1.127 63 T HN 0.785 nan 8.240 nan 0.000 0.514 64 G N 0.373 109.200 108.800 0.046 0.000 2.410 64 G HA2 0.555 4.515 3.960 -0.000 0.000 0.330 64 G HA3 0.555 4.515 3.960 -0.000 0.000 0.330 64 G C -0.728 174.230 174.900 0.098 0.000 1.142 64 G CA -0.280 44.869 45.100 0.081 0.000 0.902 64 G HN 0.229 nan 8.290 nan 0.000 0.491 65 T N -0.566 114.065 114.554 0.128 0.000 2.678 65 T HA 0.428 4.778 4.350 -0.000 0.000 0.260 65 T C 0.845 175.690 174.700 0.242 0.000 0.932 65 T CA -0.461 61.754 62.100 0.192 0.000 1.043 65 T CB 0.692 69.629 68.868 0.114 0.000 1.413 65 T HN 0.669 nan 8.240 nan 0.000 0.568 66 W N 0.524 121.919 121.300 0.159 0.000 2.770 66 W HA 0.309 4.969 4.660 -0.000 0.000 0.256 66 W C 0.401 176.906 176.519 -0.023 0.000 1.291 66 W CA 0.273 57.671 57.345 0.089 0.000 1.396 66 W CB -1.066 28.469 29.460 0.126 0.000 1.114 66 W HN 0.517 nan 8.180 nan 0.000 0.637 67 T N 0.908 114.989 114.554 -0.788 0.000 2.887 67 T HA 0.393 4.743 4.350 -0.000 0.000 0.292 67 T C -0.472 174.006 174.700 -0.370 0.000 1.087 67 T CA -0.256 61.421 62.100 -0.704 0.000 1.009 67 T CB 1.967 70.050 68.868 -1.308 0.000 1.203 67 T HN -0.226 nan 8.240 nan 0.000 0.518 68 T N 2.250 116.696 114.554 -0.180 0.000 2.832 68 T HA 0.511 4.861 4.350 -0.000 0.000 0.296 68 T C -0.040 174.741 174.700 0.134 0.000 0.968 68 T CA -0.451 61.654 62.100 0.008 0.000 1.107 68 T CB 0.428 69.339 68.868 0.071 0.000 0.916 68 T HN 0.661 nan 8.240 nan 0.000 0.517 69 V N 3.271 123.223 119.914 0.064 0.000 2.513 69 V HA 0.462 4.582 4.120 -0.000 0.000 0.299 69 V C 1.206 177.162 176.094 -0.231 0.000 1.035 69 V CA -1.141 61.113 62.300 -0.077 0.000 0.889 69 V CB 1.224 32.921 31.823 -0.211 0.000 0.988 69 V HN 1.059 nan 8.190 nan 0.000 0.440 70 W N 3.126 123.975 121.300 -0.751 0.000 2.392 70 W HA -0.126 4.534 4.660 -0.000 0.000 0.279 70 W C 1.393 177.675 176.519 -0.396 0.000 1.225 70 W CA 1.573 58.313 57.345 -1.009 0.000 1.233 70 W CB -1.618 26.945 29.460 -1.496 0.000 1.122 70 W HN 0.764 nan 8.180 nan 0.000 0.561 71 T N -1.434 112.477 114.554 -1.071 0.000 3.051 71 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 71 T C 1.106 175.576 174.700 -0.383 0.000 1.127 71 T CA 1.399 62.934 62.100 -0.942 0.000 1.107 71 T CB -0.544 67.708 68.868 -1.028 0.000 0.898 71 T HN -0.080 nan 8.240 nan 0.000 0.517 72 D N 2.169 122.428 120.400 -0.235 0.000 2.158 72 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 72 D C 2.269 178.549 176.300 -0.032 0.000 0.995 72 D CA 1.432 55.379 54.000 -0.088 0.000 0.846 72 D CB -0.826 39.961 40.800 -0.022 0.000 0.941 72 D HN 0.619 nan 8.370 nan 0.000 0.456 73 G N -0.060 108.738 108.800 -0.004 0.000 2.744 73 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.211 73 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.211 73 G C 1.605 176.530 174.900 0.043 0.000 1.143 73 G CA -0.058 45.069 45.100 0.045 0.000 0.788 73 G HN 0.263 nan 8.290 nan 0.000 0.534 74 L N 0.718 121.946 121.223 0.008 0.000 2.240 74 L HA 0.109 4.449 4.340 -0.000 0.000 0.211 74 L C 1.672 178.551 176.870 0.015 0.000 1.106 74 L CA 0.716 55.563 54.840 0.013 0.000 0.793 74 L CB -0.473 41.571 42.059 -0.025 0.000 0.927 74 L HN 0.175 nan 8.230 nan 0.000 0.446 75 T N -2.747 111.817 114.554 0.016 0.000 2.819 75 T HA 0.210 4.560 4.350 -0.000 0.000 0.271 75 T C -0.141 174.611 174.700 0.086 0.000 0.986 75 T CA -0.634 61.508 62.100 0.070 0.000 0.989 75 T CB 1.038 69.967 68.868 0.103 0.000 1.396 75 T HN -0.147 nan 8.240 nan 0.000 0.597 76 N N 0.921 119.707 118.700 0.143 0.000 2.816 76 N HA 0.196 4.936 4.740 -0.000 0.000 0.236 76 N C 0.454 176.018 175.510 0.090 0.000 1.076 76 N CA -0.555 52.535 53.050 0.067 0.000 0.902 76 N CB 0.533 39.017 38.487 -0.005 0.000 1.149 76 N HN 0.513 nan 8.380 nan 0.000 0.506 77 L N 2.513 123.780 121.223 0.073 0.000 2.079 77 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 77 L C 1.183 178.060 176.870 0.011 0.000 1.081 77 L CA 1.879 56.763 54.840 0.073 0.000 0.752 77 L CB -0.128 41.944 42.059 0.022 0.000 0.896 77 L HN 0.418 nan 8.230 nan 0.000 0.433 78 D N -0.779 119.594 120.400 -0.044 0.000 2.219 78 D HA -0.167 4.473 4.640 -0.000 0.000 0.205 78 D C 2.198 178.435 176.300 -0.106 0.000 0.970 78 D CA 1.162 55.113 54.000 -0.082 0.000 0.851 78 D CB -0.140 40.617 40.800 -0.072 0.000 0.943 78 D HN 0.544 nan 8.370 nan 0.000 0.488 79 R N -0.465 119.932 120.500 -0.172 0.000 2.193 79 R HA -0.065 4.275 4.340 -0.000 0.000 0.213 79 R C 1.121 177.206 176.300 -0.358 0.000 1.055 79 R CA 0.841 56.763 56.100 -0.296 0.000 0.995 79 R CB -0.322 29.726 30.300 -0.420 0.000 0.893 79 R HN 0.195 nan 8.270 nan 0.000 0.459 80 Y N 2.143 122.436 120.300 -0.012 0.000 2.507 80 Y HA 0.166 4.716 4.550 -0.000 0.000 0.263 80 Y C 0.382 176.289 175.900 0.012 0.000 1.093 80 Y CA -0.379 57.719 58.100 -0.003 0.000 1.285 80 Y CB 0.207 38.662 38.460 -0.008 0.000 1.115 80 Y HN 0.005 nan 8.280 nan 0.000 0.533 81 K N 1.405 121.882 120.400 0.128 0.000 2.489 81 K HA 0.230 4.550 4.320 -0.000 0.000 0.278 81 K C 0.603 177.259 176.600 0.093 0.000 1.000 81 K CA 0.258 56.631 56.287 0.143 0.000 1.012 81 K CB 0.514 33.020 32.500 0.010 0.000 0.903 81 K HN 0.156 nan 8.250 nan 0.000 0.485 82 G N 2.521 111.413 108.800 0.153 0.000 2.569 82 G HA2 0.226 4.186 3.960 -0.000 0.000 0.249 82 G HA3 0.226 4.186 3.960 -0.000 0.000 0.249 82 G C -0.623 174.278 174.900 0.001 0.000 1.216 82 G CA -0.934 44.147 45.100 -0.032 0.000 0.845 82 G HN 0.843 nan 8.290 nan 0.000 0.568 83 R N -0.125 120.298 120.500 -0.128 0.000 2.515 83 R HA 0.354 4.694 4.340 -0.000 0.000 0.278 83 R C -1.499 174.844 176.300 0.072 0.000 1.107 83 R CA -0.768 55.313 56.100 -0.031 0.000 0.945 83 R CB 0.458 30.634 30.300 -0.206 0.000 1.219 83 R HN 0.509 nan 8.270 nan 0.000 0.434 84 C N 5.388 124.770 119.300 0.138 0.000 2.555 84 C HA 0.307 4.767 4.460 -0.000 0.000 0.385 84 C C 0.707 175.832 174.990 0.225 0.000 1.296 84 C CA -0.299 58.828 59.018 0.183 0.000 1.757 84 C CB -1.489 26.377 27.740 0.211 0.000 2.445 84 C HN 0.932 nan 8.230 nan 0.000 0.571 85 Y N 2.892 123.323 120.300 0.219 0.000 2.453 85 Y HA 0.490 5.040 4.550 -0.000 0.000 0.247 85 Y C 0.589 176.667 175.900 0.297 0.000 1.124 85 Y CA -0.280 57.936 58.100 0.192 0.000 1.243 85 Y CB -0.395 38.225 38.460 0.267 0.000 1.213 85 Y HN 0.782 nan 8.280 nan 0.000 0.523 86 H N 0.429 119.392 119.070 -0.179 0.000 3.086 86 H HA 0.530 5.086 4.556 -0.000 0.000 0.353 86 H C -2.005 173.417 175.328 0.157 0.000 1.134 86 H CA -0.844 55.202 56.048 -0.003 0.000 1.248 86 H CB 2.059 31.739 29.762 -0.136 0.000 1.878 86 H HN 0.136 nan 8.280 nan 0.000 0.527 87 I N 3.950 124.288 120.570 -0.386 0.000 2.466 87 I HA 0.196 4.366 4.170 -0.000 0.000 0.289 87 I C -0.474 175.452 176.117 -0.317 0.000 1.026 87 I CA -0.450 60.717 61.300 -0.222 0.000 1.078 87 I CB 2.145 40.050 38.000 -0.159 0.000 1.249 87 I HN 0.492 nan 8.210 nan 0.000 0.429 88 E N 9.114 129.297 120.200 -0.029 0.000 2.224 88 E HA 0.490 4.840 4.350 -0.000 0.000 0.265 88 E C -2.723 173.990 176.600 0.188 0.000 0.878 88 E CA -2.082 54.375 56.400 0.095 0.000 0.759 88 E CB 2.421 32.268 29.700 0.245 0.000 1.164 88 E HN 0.171 nan 8.360 nan 0.000 0.414 89 P HA 0.043 nan 4.420 nan 0.000 0.275 89 P C -0.338 176.963 177.300 0.002 0.000 1.227 89 P CA -0.371 62.791 63.100 0.102 0.000 0.781 89 P CB 1.076 32.829 31.700 0.088 0.000 0.906 90 V N 2.985 122.838 119.914 -0.100 0.000 2.432 90 V HA 0.272 4.392 4.120 -0.000 0.000 0.271 90 V C 1.026 177.084 176.094 -0.060 0.000 1.046 90 V CA -0.603 61.663 62.300 -0.057 0.000 0.945 90 V CB 0.342 32.126 31.823 -0.065 0.000 0.992 90 V HN 0.688 nan 8.190 nan 0.000 0.471 91 A N 4.369 127.175 122.820 -0.024 0.000 2.524 91 A HA 0.502 4.822 4.320 -0.000 0.000 0.250 91 A C 1.470 179.041 177.584 -0.023 0.000 1.078 91 A CA 0.637 52.662 52.037 -0.020 0.000 0.761 91 A CB -0.508 18.489 19.000 -0.006 0.000 1.012 91 A HN 2.143 nan 8.150 nan 0.000 0.500 92 G N 1.446 110.230 108.800 -0.027 0.000 2.141 92 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.242 92 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.242 92 G C -0.178 174.702 174.900 -0.034 0.000 0.982 92 G CA 0.322 45.409 45.100 -0.022 0.000 0.662 92 G HN 0.789 nan 8.290 nan 0.000 0.527 93 E N 1.032 121.197 120.200 -0.059 0.000 2.224 93 E HA 0.339 4.689 4.350 -0.000 0.000 0.265 93 E C -0.081 176.452 176.600 -0.113 0.000 0.878 93 E CA -0.686 55.666 56.400 -0.079 0.000 0.759 93 E CB 1.471 31.114 29.700 -0.095 0.000 1.164 93 E HN 0.527 nan 8.360 nan 0.000 0.414 94 E N 2.789 122.936 120.200 -0.087 0.000 2.299 94 E HA 0.036 4.386 4.350 -0.000 0.000 0.272 94 E C 0.083 176.606 176.600 -0.127 0.000 1.043 94 E CA -0.399 55.948 56.400 -0.088 0.000 0.895 94 E CB 0.284 29.956 29.700 -0.046 0.000 1.011 94 E HN 0.417 nan 8.360 nan 0.000 0.432 95 N N 1.694 120.287 118.700 -0.180 0.000 2.738 95 N HA -0.249 4.491 4.740 -0.000 0.000 0.249 95 N C -1.280 174.075 175.510 -0.258 0.000 1.047 95 N CA 1.216 54.166 53.050 -0.167 0.000 0.707 95 N CB -0.831 37.647 38.487 -0.015 0.000 0.937 95 N HN 0.768 nan 8.380 nan 0.000 0.545 96 Q N 0.699 120.179 119.800 -0.533 0.000 2.285 96 Q HA 0.464 4.804 4.340 -0.000 0.000 0.269 96 Q C -1.547 174.096 176.000 -0.596 0.000 1.030 96 Q CA -0.674 54.898 55.803 -0.384 0.000 0.788 96 Q CB 0.992 29.629 28.738 -0.169 0.000 1.266 96 Q HN 0.267 nan 8.270 nan 0.000 0.438 97 Y N 2.339 122.627 120.300 -0.020 0.000 2.499 97 Y HA 0.464 5.014 4.550 -0.000 0.000 0.347 97 Y C -0.140 175.745 175.900 -0.024 0.000 0.987 97 Y CA -1.254 56.832 58.100 -0.023 0.000 1.044 97 Y CB 1.424 39.856 38.460 -0.048 0.000 1.245 97 Y HN 0.465 nan 8.280 nan 0.000 0.461 98 I N 2.701 123.352 120.570 0.136 0.000 2.308 98 I HA 0.134 4.304 4.170 -0.000 0.000 0.293 98 I C -0.399 175.715 176.117 -0.004 0.000 1.078 98 I CA -0.588 60.726 61.300 0.024 0.000 1.292 98 I CB -0.419 37.594 38.000 0.023 0.000 1.423 98 I HN 0.583 nan 8.210 nan 0.000 0.493 99 C N 7.364 126.639 119.300 -0.043 0.000 2.295 99 C HA 0.445 4.905 4.460 -0.000 0.000 0.331 99 C C 0.048 175.003 174.990 -0.057 0.000 1.280 99 C CA -0.711 58.301 59.018 -0.010 0.000 1.746 99 C CB -0.229 27.512 27.740 0.000 0.000 2.328 99 C HN 0.500 nan 8.230 nan 0.000 0.521 100 Y N 1.980 122.276 120.300 -0.007 0.000 2.341 100 Y HA 0.542 5.092 4.550 -0.000 0.000 0.340 100 Y C 0.340 176.156 175.900 -0.140 0.000 0.997 100 Y CA -0.263 57.789 58.100 -0.079 0.000 1.149 100 Y CB 0.811 39.056 38.460 -0.358 0.000 1.171 100 Y HN 0.413 nan 8.280 nan 0.000 0.494 101 V N 2.975 123.078 119.914 0.315 0.000 2.656 101 V HA 0.814 4.934 4.120 -0.000 0.000 0.307 101 V C -0.411 175.856 176.094 0.287 0.000 1.051 101 V CA -1.099 61.350 62.300 0.248 0.000 0.893 101 V CB 1.750 33.663 31.823 0.150 0.000 0.999 101 V HN 0.832 nan 8.190 nan 0.000 0.426 102 A N 4.041 126.954 122.820 0.156 0.000 2.318 102 A HA 0.868 5.188 4.320 -0.000 0.000 0.324 102 A C -1.518 175.960 177.584 -0.177 0.000 1.170 102 A CA -0.379 51.710 52.037 0.087 0.000 0.810 102 A CB 0.656 19.717 19.000 0.101 0.000 1.198 102 A HN 0.751 nan 8.150 nan 0.000 0.484 103 Y N 2.374 122.791 120.300 0.195 0.000 2.326 103 Y HA 0.416 4.966 4.550 -0.000 0.000 0.331 103 Y C -2.391 173.645 175.900 0.226 0.000 0.962 103 Y CA -2.467 55.768 58.100 0.224 0.000 1.167 103 Y CB 1.703 40.407 38.460 0.408 0.000 1.148 103 Y HN 0.500 nan 8.280 nan 0.000 0.463 104 P HA -0.086 nan 4.420 nan 0.000 0.265 104 P C 0.877 178.333 177.300 0.260 0.000 1.187 104 P CA -0.047 63.174 63.100 0.201 0.000 0.766 104 P CB 0.894 32.667 31.700 0.121 0.000 0.820 105 L N 3.304 124.652 121.223 0.207 0.000 2.089 105 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 105 L C 1.307 178.309 176.870 0.219 0.000 1.079 105 L CA 2.115 57.083 54.840 0.212 0.000 0.758 105 L CB -1.107 41.035 42.059 0.139 0.000 0.891 105 L HN 0.297 nan 8.230 nan 0.000 0.433 106 D N -1.029 119.470 120.400 0.165 0.000 2.350 106 D HA -0.090 4.550 4.640 -0.000 0.000 0.216 106 D C 2.189 178.523 176.300 0.057 0.000 0.968 106 D CA 0.738 54.828 54.000 0.151 0.000 0.894 106 D CB -0.069 40.873 40.800 0.237 0.000 0.909 106 D HN 0.398 nan 8.370 nan 0.000 0.520 107 L N -0.784 120.385 121.223 -0.090 0.000 2.291 107 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 107 L C 0.287 176.801 176.870 -0.594 0.000 1.120 107 L CA 0.357 54.952 54.840 -0.410 0.000 0.799 107 L CB -0.161 41.505 42.059 -0.654 0.000 0.925 107 L HN -0.102 nan 8.230 nan 0.000 0.446 108 F N -0.093 119.834 119.950 -0.039 0.000 2.422 108 F HA 0.281 4.808 4.527 -0.000 0.000 0.333 108 F C 0.714 176.560 175.800 0.077 0.000 1.095 108 F CA -1.083 56.886 58.000 -0.051 0.000 1.038 108 F CB 0.808 39.602 39.000 -0.343 0.000 1.156 108 F HN -0.171 nan 8.300 nan 0.000 0.483 109 E N 1.830 122.198 120.200 0.279 0.000 2.259 109 E HA 0.131 4.481 4.350 -0.000 0.000 0.281 109 E C -0.780 175.968 176.600 0.245 0.000 1.037 109 E CA -0.627 55.891 56.400 0.196 0.000 0.854 109 E CB 0.529 30.289 29.700 0.100 0.000 1.051 109 E HN 0.491 nan 8.360 nan 0.000 0.409 110 E N 2.472 122.750 120.200 0.129 0.000 2.502 110 E HA 0.127 4.477 4.350 -0.000 0.000 0.261 110 E C 0.967 177.343 176.600 -0.374 0.000 0.974 110 E CA 1.329 57.682 56.400 -0.078 0.000 0.936 110 E CB 0.448 30.103 29.700 -0.075 0.000 0.926 110 E HN 0.808 nan 8.360 nan 0.000 0.459 111 G N 2.563 110.764 108.800 -0.999 0.000 2.166 111 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.260 111 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.260 111 G C 0.377 174.831 174.900 -0.743 0.000 0.986 111 G CA 0.600 44.895 45.100 -1.342 0.000 0.683 111 G HN 0.530 nan 8.290 nan 0.000 0.527 112 S N -0.380 115.123 115.700 -0.328 0.000 2.505 112 S HA 0.523 4.993 4.470 -0.000 0.000 0.280 112 S C 1.599 176.273 174.600 0.124 0.000 1.197 112 S CA 0.084 58.277 58.200 -0.012 0.000 1.138 112 S CB 1.069 64.284 63.200 0.024 0.000 1.010 112 S HN 0.510 nan 8.310 nan 0.000 0.480 113 V N 4.703 124.661 119.914 0.073 0.000 2.332 113 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 113 V C 2.617 178.439 176.094 -0.453 0.000 1.055 113 V CA 2.557 64.648 62.300 -0.349 0.000 1.038 113 V CB -1.179 30.134 31.823 -0.851 0.000 0.651 113 V HN 0.827 nan 8.190 nan 0.000 0.450 114 T N 0.243 114.657 114.554 -0.234 0.000 2.649 114 T HA -0.323 4.027 4.350 -0.000 0.000 0.268 114 T C 1.902 176.617 174.700 0.025 0.000 1.036 114 T CA 2.167 64.237 62.100 -0.051 0.000 1.157 114 T CB -0.565 68.334 68.868 0.051 0.000 0.861 114 T HN 0.607 nan 8.240 nan 0.000 0.445 115 N N 0.347 119.083 118.700 0.061 0.000 2.244 115 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 115 N C 2.056 177.681 175.510 0.192 0.000 1.016 115 N CA 1.036 54.157 53.050 0.118 0.000 0.866 115 N CB -0.203 38.364 38.487 0.133 0.000 0.980 115 N HN 0.456 nan 8.380 nan 0.000 0.430 116 M N -0.233 119.483 119.600 0.194 0.000 2.077 116 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 116 M C 1.444 177.902 176.300 0.264 0.000 1.070 116 M CA 1.356 56.792 55.300 0.228 0.000 1.125 116 M CB -0.174 32.442 32.600 0.027 0.000 1.339 116 M HN -0.041 nan 8.290 nan 0.000 0.409 117 F N 0.930 120.868 119.950 -0.020 0.000 2.095 117 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 117 F C 2.611 178.422 175.800 0.017 0.000 1.104 117 F CA 1.781 59.767 58.000 -0.024 0.000 1.232 117 F CB -1.941 37.023 39.000 -0.059 0.000 0.987 117 F HN 0.226 nan 8.300 nan 0.000 0.475 118 T N -0.672 114.011 114.554 0.215 0.000 2.665 118 T HA -0.199 4.150 4.350 -0.000 0.000 0.268 118 T C 2.398 177.155 174.700 0.095 0.000 1.035 118 T CA 1.826 64.001 62.100 0.126 0.000 1.151 118 T CB -0.509 68.413 68.868 0.089 0.000 0.862 118 T HN 0.160 nan 8.240 nan 0.000 0.438 119 S N 0.681 116.435 115.700 0.090 0.000 2.343 119 S HA 0.053 4.523 4.470 -0.000 0.000 0.219 119 S C 2.019 176.660 174.600 0.068 0.000 1.033 119 S CA 0.955 59.176 58.200 0.036 0.000 1.014 119 S CB -0.348 62.818 63.200 -0.057 0.000 0.915 119 S HN 0.408 nan 8.310 nan 0.000 0.435 120 I N 0.384 121.002 120.570 0.079 0.000 2.676 120 I HA 0.007 4.177 4.170 -0.000 0.000 0.259 120 I C 1.039 177.354 176.117 0.330 0.000 1.194 120 I CA 0.769 62.148 61.300 0.133 0.000 1.473 120 I CB 0.201 38.213 38.000 0.020 0.000 1.096 120 I HN 0.119 nan 8.210 nan 0.000 0.443 121 V N -0.126 119.925 119.914 0.229 0.000 3.329 121 V HA 0.249 4.368 4.120 -0.000 0.000 0.317 121 V C 1.615 177.776 176.094 0.112 0.000 1.495 121 V CA 0.441 62.883 62.300 0.235 0.000 1.105 121 V CB 0.752 32.533 31.823 -0.069 0.000 0.985 121 V HN 0.377 nan 8.190 nan 0.000 0.475 122 G N 0.978 109.849 108.800 0.118 0.000 2.454 122 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.214 122 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.214 122 G C 1.121 176.044 174.900 0.038 0.000 1.217 122 G CA 1.074 46.209 45.100 0.058 0.000 0.799 122 G HN 0.518 nan 8.290 nan 0.000 0.538 123 N N -0.329 118.383 118.700 0.020 0.000 2.317 123 N HA 0.006 4.746 4.740 -0.000 0.000 0.199 123 N C 2.252 177.689 175.510 -0.122 0.000 1.145 123 N CA 0.876 53.888 53.050 -0.064 0.000 0.882 123 N CB 0.434 38.837 38.487 -0.140 0.000 1.113 123 N HN 0.280 nan 8.380 nan 0.000 0.486 124 V N -1.166 118.707 119.914 -0.069 0.000 2.594 124 V HA -0.043 4.077 4.120 -0.000 0.000 0.253 124 V C 1.582 177.645 176.094 -0.052 0.000 1.069 124 V CA 1.221 63.419 62.300 -0.170 0.000 1.082 124 V CB -1.213 30.513 31.823 -0.161 0.000 0.680 124 V HN -0.077 nan 8.190 nan 0.000 0.469 125 F N 2.487 122.408 119.950 -0.048 0.000 2.641 125 F HA 0.288 4.815 4.527 -0.000 0.000 0.298 125 F C 2.210 178.064 175.800 0.090 0.000 1.146 125 F CA 1.027 59.047 58.000 0.033 0.000 1.464 125 F CB -0.724 38.291 39.000 0.026 0.000 1.101 125 F HN 0.362 nan 8.300 nan 0.000 0.585 126 G N -1.846 107.047 108.800 0.156 0.000 3.192 126 G HA2 0.045 4.005 3.960 -0.000 0.000 0.239 126 G HA3 0.045 4.005 3.960 -0.000 0.000 0.239 126 G C 0.149 175.102 174.900 0.088 0.000 1.084 126 G CA -0.213 44.947 45.100 0.101 0.000 0.784 126 G HN -0.024 nan 8.290 nan 0.000 0.540 127 F N 1.854 121.812 119.950 0.015 0.000 2.623 127 F HA 0.121 4.648 4.527 -0.000 0.000 0.383 127 F C 1.786 177.581 175.800 -0.009 0.000 1.077 127 F CA 0.010 58.001 58.000 -0.015 0.000 1.268 127 F CB 0.924 39.886 39.000 -0.062 0.000 1.053 127 F HN -0.009 nan 8.300 nan 0.000 0.571 128 K N 3.043 123.599 120.400 0.260 0.000 2.063 128 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 128 K C 1.989 178.627 176.600 0.063 0.000 1.048 128 K CA 1.427 57.784 56.287 0.117 0.000 0.928 128 K CB -0.180 32.369 32.500 0.081 0.000 0.713 128 K HN 0.708 nan 8.250 nan 0.000 0.442 129 A N 0.922 123.751 122.820 0.015 0.000 2.225 129 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 129 A C 0.734 178.283 177.584 -0.059 0.000 1.164 129 A CA 0.834 52.828 52.037 -0.072 0.000 0.710 129 A CB -0.349 18.523 19.000 -0.213 0.000 0.780 129 A HN 0.120 nan 8.150 nan 0.000 0.473 130 L N -2.098 119.126 121.223 0.002 0.000 2.333 130 L HA 0.457 4.797 4.340 -0.000 0.000 0.269 130 L C 1.204 178.098 176.870 0.040 0.000 1.010 130 L CA -0.760 54.084 54.840 0.008 0.000 0.818 130 L CB 1.676 43.741 42.059 0.011 0.000 1.306 130 L HN 0.094 nan 8.230 nan 0.000 0.430 131 R N 1.081 121.603 120.500 0.037 0.000 2.189 131 R HA 0.425 4.765 4.340 -0.000 0.000 0.203 131 R C -0.055 176.294 176.300 0.082 0.000 1.012 131 R CA 0.448 56.575 56.100 0.044 0.000 1.015 131 R CB 0.605 30.923 30.300 0.029 0.000 0.938 131 R HN 0.717 nan 8.270 nan 0.000 0.472 132 A N 0.535 123.424 122.820 0.115 0.000 2.599 132 A HA 0.572 4.892 4.320 -0.000 0.000 0.294 132 A C -2.142 175.520 177.584 0.131 0.000 1.055 132 A CA -0.639 51.547 52.037 0.248 0.000 0.683 132 A CB 1.542 20.666 19.000 0.207 0.000 1.278 132 A HN 0.029 nan 8.150 nan 0.000 0.412 133 L N 0.750 122.024 121.223 0.084 0.000 2.482 133 L HA 0.798 5.138 4.340 -0.000 0.000 0.263 133 L C -0.643 176.102 176.870 -0.208 0.000 0.957 133 L CA -0.114 54.581 54.840 -0.241 0.000 0.836 133 L CB 1.953 43.621 42.059 -0.650 0.000 1.324 133 L HN 0.829 nan 8.230 nan 0.000 0.406 134 R N 4.183 124.669 120.500 -0.022 0.000 2.514 134 R HA 0.535 4.875 4.340 -0.000 0.000 0.296 134 R C -1.801 174.574 176.300 0.124 0.000 1.012 134 R CA -0.883 55.286 56.100 0.116 0.000 0.897 134 R CB 1.667 32.016 30.300 0.082 0.000 1.184 134 R HN 0.670 nan 8.270 nan 0.000 0.440 135 L N 4.537 125.871 121.223 0.185 0.000 2.315 135 L HA 0.215 4.555 4.340 -0.000 0.000 0.283 135 L C 0.765 177.556 176.870 -0.131 0.000 1.089 135 L CA 0.599 55.383 54.840 -0.093 0.000 0.833 135 L CB 1.049 43.041 42.059 -0.111 0.000 1.170 135 L HN 0.698 nan 8.230 nan 0.000 0.442 136 E N 2.259 122.291 120.200 -0.281 0.000 2.166 136 E HA 0.100 4.450 4.350 -0.000 0.000 0.192 136 E C -0.227 176.186 176.600 -0.312 0.000 0.967 136 E CA 0.464 56.660 56.400 -0.339 0.000 0.840 136 E CB 0.430 29.667 29.700 -0.771 0.000 0.795 136 E HN 0.713 nan 8.360 nan 0.000 0.470 137 D N -1.201 119.030 120.400 -0.282 0.000 2.653 137 D HA 0.400 5.040 4.640 -0.000 0.000 0.258 137 D C -1.566 174.815 176.300 0.134 0.000 1.252 137 D CA -0.473 53.505 54.000 -0.037 0.000 0.777 137 D CB 1.274 42.077 40.800 0.005 0.000 1.339 137 D HN -0.145 nan 8.370 nan 0.000 0.422 138 L N 1.144 122.474 121.223 0.179 0.000 2.455 138 L HA 0.492 4.832 4.340 -0.000 0.000 0.264 138 L C -0.440 176.354 176.870 -0.126 0.000 0.968 138 L CA -0.903 53.944 54.840 0.012 0.000 0.827 138 L CB 2.275 44.305 42.059 -0.048 0.000 1.317 138 L HN 0.204 nan 8.230 nan 0.000 0.407 139 R N 3.917 124.090 120.500 -0.544 0.000 2.204 139 R HA 0.465 4.805 4.340 -0.000 0.000 0.341 139 R C -1.044 175.054 176.300 -0.337 0.000 1.035 139 R CA -0.437 55.359 56.100 -0.507 0.000 0.887 139 R CB 0.233 30.051 30.300 -0.803 0.000 1.114 139 R HN 0.549 nan 8.270 nan 0.000 0.473 140 I N 7.974 128.364 120.570 -0.300 0.000 2.301 140 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 140 I C -1.688 174.292 176.117 -0.227 0.000 1.046 140 I CA -2.009 59.135 61.300 -0.260 0.000 1.282 140 I CB 1.490 39.323 38.000 -0.277 0.000 1.409 140 I HN 0.313 nan 8.210 nan 0.000 0.484 141 P HA -0.035 nan 4.420 nan 0.000 0.269 141 P C 1.054 178.331 177.300 -0.038 0.000 1.209 141 P CA -0.153 62.898 63.100 -0.081 0.000 0.776 141 P CB 0.991 32.669 31.700 -0.036 0.000 0.876 142 V N 0.239 120.132 119.914 -0.036 0.000 2.515 142 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 142 V C 2.242 178.364 176.094 0.046 0.000 1.058 142 V CA 1.901 64.196 62.300 -0.008 0.000 1.064 142 V CB -2.154 29.668 31.823 -0.001 0.000 0.675 142 V HN 0.521 nan 8.190 nan 0.000 0.461 143 A N -0.742 122.116 122.820 0.064 0.000 1.972 143 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 143 A C 2.143 179.828 177.584 0.168 0.000 1.169 143 A CA 1.940 54.034 52.037 0.096 0.000 0.635 143 A CB -0.813 18.239 19.000 0.087 0.000 0.810 143 A HN 0.705 nan 8.150 nan 0.000 0.446 144 Y N 0.141 120.465 120.300 0.040 0.000 2.337 144 Y HA -0.041 4.509 4.550 -0.000 0.000 0.293 144 Y C 2.322 178.345 175.900 0.206 0.000 1.123 144 Y CA 1.164 59.324 58.100 0.100 0.000 1.201 144 Y CB -0.118 38.369 38.460 0.045 0.000 1.011 144 Y HN 0.063 nan 8.280 nan 0.000 0.545 145 V N 0.555 120.549 119.914 0.133 0.000 2.392 145 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 145 V C 2.234 178.433 176.094 0.174 0.000 1.059 145 V CA 1.997 64.356 62.300 0.098 0.000 1.051 145 V CB -0.524 31.322 31.823 0.037 0.000 0.658 145 V HN 0.240 nan 8.190 nan 0.000 0.455 146 K N 0.582 121.049 120.400 0.111 0.000 2.442 146 K HA -0.071 4.249 4.320 -0.000 0.000 0.198 146 K C 2.048 178.668 176.600 0.034 0.000 1.042 146 K CA 1.468 57.801 56.287 0.077 0.000 0.958 146 K CB -0.693 31.839 32.500 0.053 0.000 0.766 146 K HN 0.742 nan 8.250 nan 0.000 0.474 147 T N -1.881 112.661 114.554 -0.020 0.000 3.194 147 T HA 0.107 4.457 4.350 -0.000 0.000 0.251 147 T C 0.426 174.902 174.700 -0.373 0.000 1.132 147 T CA -0.107 61.866 62.100 -0.212 0.000 1.028 147 T CB -0.337 68.317 68.868 -0.355 0.000 0.976 147 T HN -0.144 nan 8.240 nan 0.000 0.535 148 F N 0.400 120.271 119.950 -0.132 0.000 2.579 148 F HA 0.485 5.012 4.527 -0.000 0.000 0.324 148 F C 1.417 177.194 175.800 -0.039 0.000 1.058 148 F CA -1.267 56.681 58.000 -0.086 0.000 0.944 148 F CB 2.136 41.075 39.000 -0.101 0.000 1.245 148 F HN -0.158 nan 8.300 nan 0.000 0.477 149 Q N 1.693 121.602 119.800 0.182 0.000 2.163 149 Q HA 0.264 4.603 4.340 -0.000 0.000 0.198 149 Q C 0.963 177.012 176.000 0.082 0.000 0.954 149 Q CA 1.084 56.933 55.803 0.076 0.000 0.851 149 Q CB 0.057 28.815 28.738 0.034 0.000 0.928 149 Q HN 0.998 nan 8.270 nan 0.000 0.459 150 G N 0.716 109.588 108.800 0.119 0.000 2.693 150 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.226 150 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.226 150 G C -2.546 172.345 174.900 -0.014 0.000 1.354 150 G CA -0.408 44.707 45.100 0.026 0.000 0.873 150 G HN 0.315 nan 8.290 nan 0.000 0.562 151 P HA 0.189 nan 4.420 nan 0.000 0.266 151 P C -1.726 175.510 177.300 -0.106 0.000 1.193 151 P CA -0.505 62.549 63.100 -0.077 0.000 0.770 151 P CB 0.232 31.884 31.700 -0.080 0.000 0.836 152 P HA -0.162 nan 4.420 nan 0.000 0.216 152 P C 1.004 177.889 177.300 -0.693 0.000 1.153 152 P CA 1.918 64.797 63.100 -0.368 0.000 0.848 152 P CB 0.015 31.538 31.700 -0.294 0.000 0.787 153 H N -3.018 116.039 119.070 -0.021 0.000 2.247 153 H HA 0.360 4.915 4.556 -0.000 0.000 0.267 153 H C 1.183 176.507 175.328 -0.006 0.000 0.952 153 H CA 1.162 57.203 56.048 -0.011 0.000 1.250 153 H CB -0.139 29.618 29.762 -0.008 0.000 1.441 153 H HN 0.075 nan 8.280 nan 0.000 0.553 154 G N 0.921 109.781 108.800 0.100 0.000 2.746 154 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.685 154 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.685 154 G C 0.807 175.754 174.900 0.077 0.000 1.350 154 G CA -0.050 45.078 45.100 0.048 0.000 0.837 154 G HN 0.231 nan 8.290 nan 0.000 0.564 155 I N 0.212 120.813 120.570 0.053 0.000 2.163 155 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 155 I C 2.932 179.097 176.117 0.079 0.000 1.085 155 I CA 2.399 63.737 61.300 0.064 0.000 1.347 155 I CB -0.263 37.764 38.000 0.044 0.000 1.044 155 I HN 0.768 nan 8.210 nan 0.000 0.408 156 Q N 1.025 120.872 119.800 0.078 0.000 2.030 156 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 156 Q C 2.376 178.438 176.000 0.105 0.000 0.986 156 Q CA 2.383 58.244 55.803 0.096 0.000 0.843 156 Q CB -0.042 28.744 28.738 0.081 0.000 0.904 156 Q HN 0.377 nan 8.270 nan 0.000 0.420 157 V N 1.263 121.236 119.914 0.097 0.000 2.343 157 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 157 V C 2.344 178.479 176.094 0.068 0.000 1.051 157 V CA 2.254 64.613 62.300 0.098 0.000 1.036 157 V CB -0.832 31.074 31.823 0.138 0.000 0.654 157 V HN 0.510 nan 8.190 nan 0.000 0.451 158 E N 0.427 120.672 120.200 0.075 0.000 2.070 158 E HA -0.275 4.075 4.350 -0.000 0.000 0.197 158 E C 2.437 179.051 176.600 0.024 0.000 1.004 158 E CA 1.703 58.135 56.400 0.053 0.000 0.805 158 E CB -0.129 29.638 29.700 0.112 0.000 0.744 158 E HN 0.515 nan 8.360 nan 0.000 0.451 159 R N 0.261 120.769 120.500 0.013 0.000 2.096 159 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 159 R C 1.987 178.181 176.300 -0.178 0.000 1.127 159 R CA 1.471 57.498 56.100 -0.121 0.000 0.968 159 R CB -0.155 30.107 30.300 -0.065 0.000 0.861 159 R HN 0.311 nan 8.270 nan 0.000 0.440 160 D N 0.498 120.919 120.400 0.034 0.000 2.117 160 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 160 D C 1.787 178.105 176.300 0.030 0.000 0.982 160 D CA 0.970 55.033 54.000 0.105 0.000 0.828 160 D CB -0.018 40.867 40.800 0.143 0.000 0.967 160 D HN 0.032 nan 8.370 nan 0.000 0.464 161 K N 0.580 120.980 120.400 0.001 0.000 2.063 161 K HA -0.057 4.263 4.320 -0.000 0.000 0.208 161 K C 2.174 178.760 176.600 -0.024 0.000 1.048 161 K CA 0.617 56.893 56.287 -0.018 0.000 0.928 161 K CB -0.391 32.075 32.500 -0.057 0.000 0.713 161 K HN 0.281 nan 8.250 nan 0.000 0.442 162 L N 0.180 121.372 121.223 -0.052 0.000 2.567 162 L HA 0.111 4.451 4.340 -0.000 0.000 0.225 162 L C 0.509 177.303 176.870 -0.126 0.000 1.119 162 L CA -0.091 54.712 54.840 -0.063 0.000 0.871 162 L CB -0.452 41.582 42.059 -0.041 0.000 1.036 162 L HN 0.360 nan 8.230 nan 0.000 0.459 163 N N 1.493 120.080 118.700 -0.188 0.000 2.754 163 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 163 N C -0.374 174.890 175.510 -0.410 0.000 1.093 163 N CA 0.510 53.425 53.050 -0.224 0.000 0.699 163 N CB -0.332 38.136 38.487 -0.033 0.000 1.016 163 N HN 0.385 nan 8.380 nan 0.000 0.552 164 K N 1.346 121.338 120.400 -0.680 0.000 2.394 164 K HA 0.382 4.702 4.320 -0.000 0.000 0.260 164 K C -1.453 174.769 176.600 -0.630 0.000 0.967 164 K CA -0.310 55.691 56.287 -0.477 0.000 0.855 164 K CB 0.978 33.317 32.500 -0.268 0.000 1.101 164 K HN 0.094 nan 8.250 nan 0.000 0.433 165 Y N -0.396 119.909 120.300 0.008 0.000 2.504 165 Y HA 0.410 4.960 4.550 -0.000 0.000 0.344 165 Y C 0.891 176.798 175.900 0.012 0.000 1.023 165 Y CA -0.947 57.161 58.100 0.014 0.000 1.020 165 Y CB 2.545 41.013 38.460 0.014 0.000 1.282 165 Y HN 0.767 nan 8.280 nan 0.000 0.454 166 G N 1.986 110.893 108.800 0.178 0.000 2.132 166 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.234 166 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.234 166 G C -0.322 174.623 174.900 0.074 0.000 0.989 166 G CA 0.085 45.252 45.100 0.111 0.000 0.676 166 G HN 0.928 nan 8.290 nan 0.000 0.522 167 R N -1.820 118.718 120.500 0.063 0.000 2.687 167 R HA 0.552 4.892 4.340 -0.000 0.000 0.265 167 R C -3.421 172.902 176.300 0.038 0.000 1.048 167 R CA -1.675 54.454 56.100 0.048 0.000 0.884 167 R CB 0.401 30.722 30.300 0.035 0.000 1.258 167 R HN 0.005 nan 8.270 nan 0.000 0.469 168 P HA -0.004 nan 4.420 nan 0.000 0.266 168 P C -0.385 176.923 177.300 0.013 0.000 1.193 168 P CA -0.021 63.098 63.100 0.032 0.000 0.770 168 P CB 0.429 32.159 31.700 0.050 0.000 0.836 169 L N 2.137 123.361 121.223 0.003 0.000 2.439 169 L HA 0.363 4.703 4.340 -0.000 0.000 0.261 169 L C 0.412 177.297 176.870 0.026 0.000 1.153 169 L CA -0.552 54.279 54.840 -0.016 0.000 0.808 169 L CB 0.065 42.133 42.059 0.014 0.000 1.126 169 L HN 0.201 nan 8.230 nan 0.000 0.460 170 L N 1.019 122.243 121.223 0.002 0.000 2.333 170 L HA 0.689 5.028 4.340 -0.000 0.000 0.280 170 L C 0.253 177.182 176.870 0.099 0.000 1.004 170 L CA -0.231 54.652 54.840 0.072 0.000 0.820 170 L CB 1.754 43.837 42.059 0.041 0.000 1.247 170 L HN 0.734 nan 8.230 nan 0.000 0.416 171 G N 0.829 109.721 108.800 0.153 0.000 3.105 171 G HA2 0.642 4.602 3.960 -0.000 0.000 0.277 171 G HA3 0.642 4.602 3.960 -0.000 0.000 0.277 171 G C -1.810 173.127 174.900 0.062 0.000 1.375 171 G CA -0.531 44.643 45.100 0.123 0.000 0.962 171 G HN 0.662 nan 8.290 nan 0.000 0.541 172 C N 0.109 119.389 119.300 -0.034 0.000 3.158 172 C HA 0.554 5.014 4.460 -0.000 0.000 0.428 172 C C -0.337 174.611 174.990 -0.070 0.000 0.985 172 C CA -0.525 58.485 59.018 -0.013 0.000 1.240 172 C CB 0.088 27.840 27.740 0.019 0.000 1.615 172 C HN 0.874 nan 8.230 nan 0.000 0.570 173 T N 7.095 121.629 114.554 -0.034 0.000 2.832 173 T HA 0.412 4.762 4.350 -0.000 0.000 0.296 173 T C 0.571 175.257 174.700 -0.023 0.000 0.968 173 T CA -0.306 61.780 62.100 -0.024 0.000 1.107 173 T CB 0.489 69.375 68.868 0.030 0.000 0.916 173 T HN 0.583 nan 8.240 nan 0.000 0.517 174 I N 3.689 124.224 120.570 -0.058 0.000 2.588 174 I HA 0.204 4.374 4.170 -0.000 0.000 0.283 174 I C 0.803 176.888 176.117 -0.055 0.000 1.119 174 I CA -0.019 61.188 61.300 -0.155 0.000 1.419 174 I CB 0.116 37.780 38.000 -0.561 0.000 1.394 174 I HN 0.471 nan 8.210 nan 0.000 0.562 175 K N 5.870 126.246 120.400 -0.040 0.000 2.316 175 K HA 0.548 4.868 4.320 -0.000 0.000 0.234 175 K C -2.416 174.194 176.600 0.017 0.000 1.054 175 K CA -1.689 54.608 56.287 0.016 0.000 0.879 175 K CB 0.132 32.654 32.500 0.036 0.000 1.252 175 K HN 0.277 nan 8.250 nan 0.000 0.471 176 P HA -0.209 nan 4.420 nan 0.000 0.233 176 P C 0.036 177.364 177.300 0.047 0.000 1.031 176 P CA 0.770 63.882 63.100 0.021 0.000 0.772 176 P CB -0.024 31.673 31.700 -0.004 0.000 0.604 177 K N 1.571 121.995 120.400 0.039 0.000 2.052 177 K HA -0.134 4.186 4.320 -0.000 0.000 0.215 177 K C 1.143 177.789 176.600 0.077 0.000 1.053 177 K CA 1.281 57.608 56.287 0.067 0.000 0.934 177 K CB -0.113 32.411 32.500 0.040 0.000 0.717 177 K HN 0.419 nan 8.250 nan 0.000 0.450 178 L N -2.038 119.154 121.223 -0.053 0.000 2.333 178 L HA 0.402 4.742 4.340 -0.000 0.000 0.263 178 L C 0.804 177.328 176.870 -0.577 0.000 1.014 178 L CA -0.314 54.351 54.840 -0.292 0.000 0.820 178 L CB 2.179 44.075 42.059 -0.271 0.000 1.352 178 L HN 0.512 nan 8.230 nan 0.000 0.421 179 G N 1.240 109.219 108.800 -1.367 0.000 2.195 179 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.224 179 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.224 179 G C -0.111 174.652 174.900 -0.228 0.000 0.990 179 G CA -0.442 44.157 45.100 -0.835 0.000 0.639 179 G HN 0.330 nan 8.290 nan 0.000 0.514 180 L N 2.115 123.350 121.223 0.019 0.000 2.418 180 L HA 0.552 4.892 4.340 -0.000 0.000 0.265 180 L C 1.501 178.565 176.870 0.323 0.000 1.143 180 L CA 0.000 54.963 54.840 0.205 0.000 0.809 180 L CB 1.316 43.556 42.059 0.301 0.000 1.124 180 L HN 0.453 nan 8.230 nan 0.000 0.456 181 S N 1.279 117.109 115.700 0.218 0.000 2.632 181 S HA 0.329 4.799 4.470 -0.000 0.000 0.267 181 S C 1.077 175.767 174.600 0.151 0.000 1.276 181 S CA -0.210 58.094 58.200 0.173 0.000 0.998 181 S CB 1.573 64.822 63.200 0.082 0.000 0.953 181 S HN 0.713 nan 8.310 nan 0.000 0.547 182 A N 1.649 124.532 122.820 0.106 0.000 1.903 182 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 182 A C 2.169 179.729 177.584 -0.039 0.000 1.191 182 A CA 2.082 54.198 52.037 0.132 0.000 0.638 182 A CB -1.002 18.155 19.000 0.263 0.000 0.823 182 A HN 0.928 nan 8.150 nan 0.000 0.451 183 K N -0.643 119.521 120.400 -0.394 0.000 2.155 183 K HA -0.106 4.214 4.320 -0.000 0.000 0.203 183 K C 1.774 178.221 176.600 -0.255 0.000 1.052 183 K CA 1.444 57.296 56.287 -0.725 0.000 0.948 183 K CB -0.249 31.777 32.500 -0.791 0.000 0.728 183 K HN 0.673 nan 8.250 nan 0.000 0.448 184 N N -0.709 117.942 118.700 -0.081 0.000 2.216 184 N HA -0.147 4.593 4.740 -0.000 0.000 0.183 184 N C 1.500 177.051 175.510 0.068 0.000 1.017 184 N CA 0.639 53.692 53.050 0.005 0.000 0.861 184 N CB -0.086 38.423 38.487 0.036 0.000 0.986 184 N HN 0.123 nan 8.380 nan 0.000 0.428 185 Y N 1.230 121.532 120.300 0.004 0.000 2.069 185 Y HA -0.222 4.328 4.550 -0.000 0.000 0.278 185 Y C 2.487 178.392 175.900 0.008 0.000 1.175 185 Y CA 1.901 60.023 58.100 0.036 0.000 1.134 185 Y CB -0.729 37.779 38.460 0.080 0.000 0.965 185 Y HN 0.058 nan 8.280 nan 0.000 0.498 186 G N -1.161 107.719 108.800 0.134 0.000 2.430 186 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 186 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 186 G C 1.723 176.668 174.900 0.075 0.000 1.146 186 G CA 0.592 45.750 45.100 0.096 0.000 0.793 186 G HN 0.339 nan 8.290 nan 0.000 0.537 187 R N 0.644 121.168 120.500 0.040 0.000 2.091 187 R HA -0.002 4.338 4.340 -0.000 0.000 0.238 187 R C 2.694 179.038 176.300 0.073 0.000 1.136 187 R CA 1.664 57.808 56.100 0.072 0.000 0.959 187 R CB -0.412 29.905 30.300 0.028 0.000 0.856 187 R HN 0.242 nan 8.270 nan 0.000 0.437 188 A N 0.895 123.717 122.820 0.003 0.000 1.898 188 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 188 A C 2.312 179.870 177.584 -0.044 0.000 1.181 188 A CA 1.491 53.502 52.037 -0.042 0.000 0.620 188 A CB -0.907 18.022 19.000 -0.118 0.000 0.819 188 A HN 0.359 nan 8.150 nan 0.000 0.442 189 V N -1.072 118.818 119.914 -0.040 0.000 2.332 189 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 189 V C 2.207 178.330 176.094 0.049 0.000 1.055 189 V CA 2.660 64.959 62.300 -0.003 0.000 1.038 189 V CB -0.959 30.852 31.823 -0.020 0.000 0.651 189 V HN 0.646 nan 8.190 nan 0.000 0.450 190 Y N 1.886 122.177 120.300 -0.015 0.000 2.114 190 Y HA -0.123 4.427 4.550 -0.000 0.000 0.284 190 Y C 2.506 178.406 175.900 -0.000 0.000 1.143 190 Y CA 2.327 60.428 58.100 0.001 0.000 1.135 190 Y CB -0.522 37.946 38.460 0.014 0.000 0.980 190 Y HN 0.362 nan 8.280 nan 0.000 0.499 191 E N -0.389 119.614 120.200 -0.327 0.000 2.153 191 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 191 E C 2.462 178.912 176.600 -0.250 0.000 0.988 191 E CA 1.365 57.527 56.400 -0.398 0.000 0.811 191 E CB -0.862 28.733 29.700 -0.175 0.000 0.746 191 E HN 0.556 nan 8.360 nan 0.000 0.466 192 C N 0.721 119.934 119.300 -0.144 0.000 2.453 192 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 192 C C 2.859 177.789 174.990 -0.100 0.000 1.262 192 C CA 0.342 59.303 59.018 -0.095 0.000 1.718 192 C CB -1.121 26.590 27.740 -0.049 0.000 2.031 192 C HN 0.351 nan 8.230 nan 0.000 0.480 193 L N 1.219 122.390 121.223 -0.087 0.000 2.141 193 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 193 L C 2.861 179.678 176.870 -0.087 0.000 1.094 193 L CA 1.573 56.378 54.840 -0.058 0.000 0.763 193 L CB -0.688 41.372 42.059 0.001 0.000 0.908 193 L HN 0.480 nan 8.230 nan 0.000 0.437 194 R N 0.374 120.769 120.500 -0.176 0.000 2.235 194 R HA -0.028 4.311 4.340 -0.000 0.000 0.213 194 R C 1.816 178.044 176.300 -0.119 0.000 1.059 194 R CA 1.156 57.158 56.100 -0.164 0.000 0.997 194 R CB -0.481 29.614 30.300 -0.341 0.000 0.884 194 R HN 0.224 nan 8.270 nan 0.000 0.462 195 G N -0.545 108.181 108.800 -0.125 0.000 3.042 195 G HA2 0.270 4.230 3.960 -0.000 0.000 0.212 195 G HA3 0.270 4.230 3.960 -0.000 0.000 0.212 195 G C 0.830 175.687 174.900 -0.071 0.000 1.166 195 G CA 0.231 45.274 45.100 -0.095 0.000 0.767 195 G HN 0.558 nan 8.290 nan 0.000 0.546 196 G N -0.629 108.131 108.800 -0.066 0.000 2.273 196 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.162 196 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.162 196 G C 0.261 175.121 174.900 -0.066 0.000 1.006 196 G CA -0.402 44.665 45.100 -0.056 0.000 0.704 196 G HN 0.317 nan 8.290 nan 0.000 0.487 197 L N 1.425 122.608 121.223 -0.067 0.000 2.439 197 L HA 0.316 4.655 4.340 -0.000 0.000 0.269 197 L C 1.140 177.941 176.870 -0.114 0.000 1.179 197 L CA -0.501 54.299 54.840 -0.067 0.000 0.828 197 L CB 0.525 42.564 42.059 -0.034 0.000 1.106 197 L HN 0.042 nan 8.230 nan 0.000 0.467 198 D N 1.528 121.803 120.400 -0.208 0.000 2.194 198 D HA 0.019 4.659 4.640 -0.000 0.000 0.204 198 D C -0.121 175.924 176.300 -0.425 0.000 0.964 198 D CA 1.483 55.232 54.000 -0.419 0.000 0.846 198 D CB 0.264 40.616 40.800 -0.746 0.000 0.962 198 D HN 0.153 nan 8.370 nan 0.000 0.490 199 F N -0.085 119.848 119.950 -0.029 0.000 2.613 199 F HA 0.324 4.851 4.527 -0.000 0.000 0.310 199 F C 0.556 176.231 175.800 -0.208 0.000 1.085 199 F CA -1.138 56.796 58.000 -0.110 0.000 0.945 199 F CB 1.766 40.693 39.000 -0.121 0.000 1.298 199 F HN -0.329 nan 8.300 nan 0.000 0.455 203 D N 1.201 121.726 120.400 0.208 0.000 2.423 203 D HA -0.044 4.596 4.640 -0.000 0.000 0.238 203 D C 1.479 177.767 176.300 -0.019 0.000 1.142 203 D CA 0.119 54.174 54.000 0.091 0.000 0.884 203 D CB 1.140 42.020 40.800 0.133 0.000 1.199 203 D HN 0.433 nan 8.370 nan 0.000 0.438 204 E N 2.907 122.978 120.200 -0.214 0.000 2.160 204 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 204 E C 0.784 177.279 176.600 -0.176 0.000 0.991 204 E CA 1.342 57.498 56.400 -0.407 0.000 0.810 204 E CB -0.294 28.797 29.700 -1.015 0.000 0.742 204 E HN 0.516 nan 8.360 nan 0.000 0.466 205 N N 1.480 120.134 118.700 -0.077 0.000 2.299 205 N HA -0.055 4.685 4.740 -0.000 0.000 0.187 205 N C 0.801 176.351 175.510 0.066 0.000 1.099 205 N CA 0.537 53.583 53.050 -0.007 0.000 0.867 205 N CB -0.086 38.408 38.487 0.012 0.000 0.974 205 N HN 0.117 nan 8.380 nan 0.000 0.477 206 V N 0.403 120.375 119.914 0.098 0.000 2.390 206 V HA 0.208 4.328 4.120 -0.000 0.000 0.260 206 V C 0.043 176.184 176.094 0.077 0.000 1.043 206 V CA -0.152 62.224 62.300 0.127 0.000 1.047 206 V CB -0.975 30.934 31.823 0.144 0.000 1.066 206 V HN 0.196 nan 8.190 nan 0.000 0.481 207 N N 4.068 122.797 118.700 0.048 0.000 2.528 207 N HA 0.276 5.016 4.740 -0.000 0.000 0.208 207 N C -0.237 175.297 175.510 0.041 0.000 1.218 207 N CA -0.145 52.926 53.050 0.035 0.000 1.112 207 N CB 0.551 39.038 38.487 -0.001 0.000 1.423 207 N HN 0.614 nan 8.380 nan 0.000 0.497 208 S N -0.001 115.699 115.700 0.001 0.000 2.614 208 S HA 0.478 4.948 4.470 -0.000 0.000 0.288 208 S C -1.635 172.891 174.600 -0.124 0.000 1.137 208 S CA -0.435 57.762 58.200 -0.005 0.000 0.992 208 S CB 1.285 64.593 63.200 0.180 0.000 1.026 208 S HN 0.254 nan 8.310 nan 0.000 0.486 209 Q N 3.090 122.704 119.800 -0.310 0.000 2.615 209 Q HA 0.472 4.812 4.340 -0.000 0.000 0.298 209 Q C -2.137 173.630 176.000 -0.388 0.000 1.023 209 Q CA -1.644 53.931 55.803 -0.380 0.000 0.768 209 Q CB 1.397 29.768 28.738 -0.611 0.000 1.500 209 Q HN 0.260 nan 8.270 nan 0.000 0.441 210 P HA -0.150 nan 4.420 nan 0.000 0.218 210 P C 0.529 177.791 177.300 -0.064 0.000 1.148 210 P CA 1.326 64.375 63.100 -0.084 0.000 0.822 210 P CB 0.063 31.779 31.700 0.026 0.000 0.784 211 F N -2.645 117.315 119.950 0.017 0.000 2.558 211 F HA 0.309 4.836 4.527 -0.000 0.000 0.298 211 F C 0.937 176.748 175.800 0.019 0.000 1.119 211 F CA -0.010 58.002 58.000 0.020 0.000 1.451 211 F CB -0.475 38.542 39.000 0.028 0.000 1.091 211 F HN -0.204 nan 8.300 nan 0.000 0.563 212 M N 1.302 120.639 119.600 -0.438 0.000 2.387 212 M HA 0.324 4.804 4.480 -0.000 0.000 0.215 212 M C -1.561 174.568 176.300 -0.285 0.000 0.973 212 M CA -0.482 54.675 55.300 -0.239 0.000 0.924 212 M CB 1.039 33.586 32.600 -0.090 0.000 2.471 212 M HN -0.174 nan 8.290 nan 0.000 0.445 213 R N 3.685 124.085 120.500 -0.167 0.000 2.459 213 R HA 0.308 4.648 4.340 -0.000 0.000 0.281 213 R C 1.040 177.261 176.300 -0.132 0.000 1.050 213 R CA -0.188 55.815 56.100 -0.162 0.000 1.055 213 R CB 0.724 30.905 30.300 -0.198 0.000 1.045 213 R HN 0.971 nan 8.270 nan 0.000 0.495 214 W N 4.067 125.252 121.300 -0.191 0.000 2.355 214 W HA -0.162 4.498 4.660 0.000 0.000 0.309 214 W C 1.242 177.577 176.519 -0.308 0.000 1.206 214 W CA 0.703 57.910 57.345 -0.230 0.000 1.284 214 W CB -0.512 28.745 29.460 -0.339 0.000 1.145 214 W HN 0.583 nan 8.180 nan 0.000 0.502 215 R N 1.106 120.835 120.500 -1.284 0.000 2.073 215 R HA -0.163 4.177 4.340 -0.000 0.000 0.234 215 R C 1.945 178.012 176.300 -0.388 0.000 1.134 215 R CA 2.264 57.639 56.100 -1.209 0.000 0.952 215 R CB -0.503 28.801 30.300 -1.662 0.000 0.850 215 R HN -0.013 nan 8.270 nan 0.000 0.433 216 D N -0.113 120.115 120.400 -0.288 0.000 2.133 216 D HA -0.235 4.405 4.640 -0.000 0.000 0.195 216 D C 1.889 178.297 176.300 0.180 0.000 0.997 216 D CA 1.261 55.232 54.000 -0.048 0.000 0.840 216 D CB -0.237 40.582 40.800 0.030 0.000 0.947 216 D HN 0.301 nan 8.370 nan 0.000 0.452 217 R N -0.294 120.333 120.500 0.211 0.000 2.066 217 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 217 R C 2.323 178.886 176.300 0.438 0.000 1.131 217 R CA 0.890 57.181 56.100 0.318 0.000 0.955 217 R CB -0.339 30.092 30.300 0.218 0.000 0.851 217 R HN 0.007 nan 8.270 nan 0.000 0.432 218 F N 1.387 121.469 119.950 0.220 0.000 2.115 218 F HA -0.261 4.266 4.527 -0.000 0.000 0.300 218 F C 2.283 178.173 175.800 0.151 0.000 1.092 218 F CA 1.241 59.386 58.000 0.242 0.000 1.245 218 F CB -1.009 38.253 39.000 0.437 0.000 0.995 218 F HN 0.123 nan 8.300 nan 0.000 0.481 219 L N -1.470 119.968 121.223 0.358 0.000 2.027 219 L HA -0.232 4.108 4.340 -0.000 0.000 0.206 219 L C 2.372 179.257 176.870 0.026 0.000 1.074 219 L CA 1.464 56.382 54.840 0.130 0.000 0.745 219 L CB -0.502 41.555 42.059 -0.003 0.000 0.898 219 L HN -0.041 nan 8.230 nan 0.000 0.433 220 F N -0.577 119.445 119.950 0.121 0.000 2.234 220 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 220 F C 2.583 178.407 175.800 0.040 0.000 1.087 220 F CA 1.096 59.142 58.000 0.078 0.000 1.340 220 F CB -1.025 38.024 39.000 0.081 0.000 1.031 220 F HN 0.211 nan 8.300 nan 0.000 0.500 221 C N -0.456 118.955 119.300 0.184 0.000 2.450 221 C HA -0.014 4.446 4.460 -0.000 0.000 0.279 221 C C 3.088 178.041 174.990 -0.062 0.000 1.335 221 C CA 0.771 59.776 59.018 -0.022 0.000 1.749 221 C CB -1.523 26.064 27.740 -0.255 0.000 1.963 221 C HN 0.494 nan 8.230 nan 0.000 0.501 222 A N 0.556 123.355 122.820 -0.035 0.000 1.877 222 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 222 A C 2.166 179.741 177.584 -0.015 0.000 1.186 222 A CA 1.961 53.927 52.037 -0.119 0.000 0.620 222 A CB -0.707 18.280 19.000 -0.023 0.000 0.822 222 A HN 0.700 nan 8.150 nan 0.000 0.443 223 E N -0.118 120.144 120.200 0.103 0.000 2.058 223 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 223 E C 2.162 178.824 176.600 0.103 0.000 0.997 223 E CA 1.184 57.672 56.400 0.145 0.000 0.801 223 E CB -0.266 29.517 29.700 0.139 0.000 0.746 223 E HN 0.529 nan 8.360 nan 0.000 0.450 224 A N 1.252 124.123 122.820 0.084 0.000 1.877 224 A HA -0.172 4.147 4.320 -0.000 0.000 0.216 224 A C 2.228 179.875 177.584 0.105 0.000 1.186 224 A CA 1.684 53.779 52.037 0.096 0.000 0.620 224 A CB -0.778 18.296 19.000 0.123 0.000 0.822 224 A HN 0.412 nan 8.150 nan 0.000 0.443 225 L N -2.901 118.319 121.223 -0.004 0.000 2.046 225 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 225 L C 2.234 179.100 176.870 -0.007 0.000 1.077 225 L CA 1.906 56.721 54.840 -0.043 0.000 0.747 225 L CB -1.340 40.635 42.059 -0.142 0.000 0.896 225 L HN 0.268 nan 8.230 nan 0.000 0.432 226 Y N 0.696 121.037 120.300 0.067 0.000 2.274 226 Y HA -0.126 4.424 4.550 -0.000 0.000 0.290 226 Y C 2.779 178.709 175.900 0.050 0.000 1.145 226 Y CA 1.481 59.610 58.100 0.048 0.000 1.203 226 Y CB -0.688 37.788 38.460 0.027 0.000 0.984 226 Y HN 0.333 nan 8.280 nan 0.000 0.533 227 K N 0.055 120.562 120.400 0.180 0.000 2.097 227 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 227 K C 2.219 178.942 176.600 0.207 0.000 1.050 227 K CA 1.038 57.385 56.287 0.100 0.000 0.938 227 K CB -0.159 32.273 32.500 -0.113 0.000 0.718 227 K HN 0.236 nan 8.250 nan 0.000 0.442 228 A N 0.936 123.930 122.820 0.290 0.000 1.897 228 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 228 A C 2.045 179.718 177.584 0.148 0.000 1.181 228 A CA 1.291 53.487 52.037 0.265 0.000 0.620 228 A CB -0.528 18.585 19.000 0.188 0.000 0.821 228 A HN 0.502 nan 8.150 nan 0.000 0.443 229 Q N -0.408 119.475 119.800 0.137 0.000 2.096 229 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 229 Q C 2.099 178.159 176.000 0.101 0.000 0.982 229 Q CA 1.800 57.670 55.803 0.112 0.000 0.850 229 Q CB -0.310 28.515 28.738 0.145 0.000 0.901 229 Q HN 0.619 nan 8.270 nan 0.000 0.422 230 A N 0.337 123.225 122.820 0.114 0.000 1.930 230 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 230 A C 1.844 179.473 177.584 0.075 0.000 1.176 230 A CA 1.310 53.396 52.037 0.082 0.000 0.632 230 A CB -0.498 18.545 19.000 0.071 0.000 0.819 230 A HN 0.584 nan 8.150 nan 0.000 0.445 231 E N -0.155 120.105 120.200 0.100 0.000 2.072 231 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 231 E C 2.032 178.670 176.600 0.065 0.000 0.985 231 E CA 1.861 58.317 56.400 0.094 0.000 0.801 231 E CB -0.059 29.731 29.700 0.149 0.000 0.750 231 E HN 0.725 nan 8.360 nan 0.000 0.452 232 T N -3.904 110.686 114.554 0.059 0.000 3.031 232 T HA 0.218 4.568 4.350 -0.000 0.000 0.254 232 T C 1.550 176.267 174.700 0.028 0.000 1.060 232 T CA 0.688 62.809 62.100 0.035 0.000 1.135 232 T CB 0.409 69.289 68.868 0.020 0.000 0.896 232 T HN 0.328 nan 8.240 nan 0.000 0.472 233 G N 1.191 110.012 108.800 0.035 0.000 2.132 233 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.234 233 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.234 233 G C -0.321 174.591 174.900 0.020 0.000 0.989 233 G CA 0.111 45.228 45.100 0.028 0.000 0.676 233 G HN 0.686 nan 8.290 nan 0.000 0.522 234 E N -0.635 119.574 120.200 0.015 0.000 2.256 234 E HA 0.593 4.943 4.350 -0.000 0.000 0.267 234 E C 0.293 176.893 176.600 -0.001 0.000 0.892 234 E CA -1.125 55.272 56.400 -0.005 0.000 0.775 234 E CB 1.857 31.541 29.700 -0.027 0.000 1.207 234 E HN 0.273 nan 8.360 nan 0.000 0.420 235 I N 2.743 123.306 120.570 -0.012 0.000 2.648 235 I HA 0.014 4.184 4.170 -0.000 0.000 0.284 235 I C 0.291 176.396 176.117 -0.020 0.000 1.153 235 I CA 0.386 61.689 61.300 0.005 0.000 1.426 235 I CB 0.158 38.160 38.000 0.004 0.000 1.381 235 I HN 0.155 nan 8.210 nan 0.000 0.571 236 K N 4.331 124.743 120.400 0.020 0.000 2.328 236 K HA 0.729 5.049 4.320 -0.000 0.000 0.246 236 K C -0.308 176.353 176.600 0.100 0.000 0.955 236 K CA -0.669 55.630 56.287 0.018 0.000 0.817 236 K CB 2.207 34.724 32.500 0.028 0.000 1.208 236 K HN 0.783 nan 8.250 nan 0.000 0.432 237 G N 0.401 109.344 108.800 0.237 0.000 2.619 237 G HA2 0.394 4.354 3.960 -0.000 0.000 0.296 237 G HA3 0.394 4.354 3.960 -0.000 0.000 0.296 237 G C -1.701 173.382 174.900 0.305 0.000 1.334 237 G CA -0.254 45.046 45.100 0.333 0.000 0.934 237 G HN 0.559 nan 8.290 nan 0.000 0.476 238 H N 0.898 120.016 119.070 0.079 0.000 2.823 238 H HA 0.309 4.865 4.556 -0.000 0.000 0.332 238 H C -1.039 174.295 175.328 0.011 0.000 0.980 238 H CA -0.577 55.462 56.048 -0.016 0.000 1.286 238 H CB 1.222 30.965 29.762 -0.031 0.000 1.541 238 H HN 0.354 nan 8.280 nan 0.000 0.521 239 Y N 5.721 125.674 120.300 -0.579 0.000 2.674 239 Y HA 0.100 4.650 4.550 -0.000 0.000 0.354 239 Y C 0.624 176.328 175.900 -0.327 0.000 1.089 239 Y CA -0.612 57.236 58.100 -0.420 0.000 1.444 239 Y CB -0.563 37.632 38.460 -0.442 0.000 1.187 239 Y HN 0.351 nan 8.280 nan 0.000 0.523 240 L N 3.921 125.097 121.223 -0.078 0.000 2.319 240 L HA 0.205 4.545 4.340 -0.000 0.000 0.280 240 L C 0.594 177.413 176.870 -0.086 0.000 1.099 240 L CA -0.038 54.661 54.840 -0.236 0.000 0.828 240 L CB 0.444 41.992 42.059 -0.852 0.000 1.150 240 L HN 0.613 nan 8.230 nan 0.000 0.442 241 N N 1.663 120.417 118.700 0.090 0.000 2.458 241 N HA 0.286 5.026 4.740 -0.000 0.000 0.270 241 N C 0.471 176.110 175.510 0.216 0.000 1.102 241 N CA -0.078 53.063 53.050 0.152 0.000 0.967 241 N CB 1.269 39.839 38.487 0.138 0.000 1.078 241 N HN 0.771 nan 8.380 nan 0.000 0.471 242 A N 2.494 125.398 122.820 0.140 0.000 2.348 242 A HA 0.114 4.434 4.320 -0.000 0.000 0.224 242 A C 0.595 178.197 177.584 0.030 0.000 1.227 242 A CA -0.071 51.996 52.037 0.051 0.000 0.885 242 A CB 0.035 19.033 19.000 -0.002 0.000 0.933 242 A HN 0.608 nan 8.150 nan 0.000 0.506 243 T N 1.694 116.322 114.554 0.123 0.000 2.934 243 T HA 0.459 4.809 4.350 -0.000 0.000 0.306 243 T C 0.230 174.929 174.700 -0.001 0.000 1.042 243 T CA 0.986 63.158 62.100 0.120 0.000 1.145 243 T CB 0.761 69.641 68.868 0.021 0.000 0.982 243 T HN 0.891 nan 8.240 nan 0.000 0.544 244 A N 2.028 124.842 122.820 -0.009 0.000 2.536 244 A HA 0.761 5.081 4.320 -0.000 0.000 0.293 244 A C 1.210 178.771 177.584 -0.039 0.000 1.119 244 A CA -0.254 51.746 52.037 -0.061 0.000 0.654 244 A CB 0.285 19.205 19.000 -0.133 0.000 1.291 244 A HN 0.768 nan 8.150 nan 0.000 0.439 245 G N -0.744 108.027 108.800 -0.047 0.000 2.448 245 G HA2 0.355 4.315 3.960 -0.000 0.000 0.218 245 G HA3 0.355 4.315 3.960 -0.000 0.000 0.218 245 G C 0.689 175.571 174.900 -0.030 0.000 1.135 245 G CA 1.891 46.971 45.100 -0.033 0.000 0.784 245 G HN 1.721 nan 8.290 nan 0.000 0.543 246 T N -4.144 110.384 114.554 -0.042 0.000 2.896 246 T HA 0.310 4.660 4.350 -0.000 0.000 0.297 246 T C 0.914 175.581 174.700 -0.055 0.000 1.108 246 T CA -0.267 61.809 62.100 -0.040 0.000 1.004 246 T CB 1.409 70.253 68.868 -0.039 0.000 1.159 246 T HN -0.068 nan 8.240 nan 0.000 0.499 247 C N 0.730 120.000 119.300 -0.050 0.000 2.413 247 C HA -0.041 4.419 4.460 -0.000 0.000 0.276 247 C C 2.633 177.568 174.990 -0.092 0.000 1.248 247 C CA 0.983 59.959 59.018 -0.070 0.000 1.742 247 C CB -1.364 26.344 27.740 -0.054 0.000 2.017 247 C HN 1.035 nan 8.230 nan 0.000 0.481 248 E N 1.325 121.481 120.200 -0.073 0.000 2.058 248 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 248 E C 1.648 178.185 176.600 -0.105 0.000 0.997 248 E CA 1.645 58.000 56.400 -0.075 0.000 0.801 248 E CB -0.333 29.338 29.700 -0.048 0.000 0.746 248 E HN 0.554 nan 8.360 nan 0.000 0.450 249 D N -0.294 120.038 120.400 -0.112 0.000 2.117 249 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 249 D C 1.826 177.969 176.300 -0.261 0.000 0.987 249 D CA 0.845 54.745 54.000 -0.167 0.000 0.829 249 D CB -0.199 40.516 40.800 -0.142 0.000 0.961 249 D HN 0.152 nan 8.370 nan 0.000 0.460 250 M N -0.362 119.112 119.600 -0.210 0.000 2.086 250 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 250 M C 1.700 177.841 176.300 -0.265 0.000 1.067 250 M CA 1.242 56.407 55.300 -0.226 0.000 1.116 250 M CB 0.028 32.527 32.600 -0.169 0.000 1.348 250 M HN -0.083 nan 8.290 nan 0.000 0.407 251 M N 0.547 120.001 119.600 -0.243 0.000 2.108 251 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 251 M C 1.910 178.052 176.300 -0.265 0.000 1.066 251 M CA 1.808 56.931 55.300 -0.295 0.000 1.107 251 M CB -1.342 31.117 32.600 -0.234 0.000 1.356 251 M HN 0.293 nan 8.290 nan 0.000 0.406 252 K N -0.252 120.025 120.400 -0.204 0.000 2.103 252 K HA -0.152 4.167 4.320 -0.000 0.000 0.207 252 K C 2.112 178.598 176.600 -0.190 0.000 1.048 252 K CA 1.243 57.452 56.287 -0.131 0.000 0.930 252 K CB -0.122 32.335 32.500 -0.071 0.000 0.716 252 K HN 0.408 nan 8.250 nan 0.000 0.444 253 R N 0.115 120.336 120.500 -0.465 0.000 2.093 253 R HA 0.023 4.363 4.340 -0.000 0.000 0.224 253 R C 2.422 178.769 176.300 0.078 0.000 1.101 253 R CA 0.966 56.774 56.100 -0.486 0.000 0.979 253 R CB -0.310 29.529 30.300 -0.769 0.000 0.877 253 R HN 0.129 nan 8.270 nan 0.000 0.441 254 A N 1.292 124.078 122.820 -0.058 0.000 1.902 254 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 254 A C 2.409 180.043 177.584 0.083 0.000 1.181 254 A CA 1.392 53.421 52.037 -0.013 0.000 0.623 254 A CB -0.629 18.209 19.000 -0.269 0.000 0.818 254 A HN 0.093 nan 8.150 nan 0.000 0.443 255 V N -1.244 118.662 119.914 -0.014 0.000 2.324 255 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 255 V C 2.296 178.582 176.094 0.321 0.000 1.060 255 V CA 2.315 64.716 62.300 0.169 0.000 1.042 255 V CB -0.920 30.966 31.823 0.106 0.000 0.650 255 V HN 0.630 nan 8.190 nan 0.000 0.450 256 F N 1.188 121.280 119.950 0.237 0.000 2.206 256 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 256 F C 2.236 178.245 175.800 0.349 0.000 1.090 256 F CA 0.822 59.010 58.000 0.313 0.000 1.323 256 F CB -0.655 38.601 39.000 0.427 0.000 1.028 256 F HN 0.069 nan 8.300 nan 0.000 0.492 257 A N 0.886 123.898 122.820 0.319 0.000 1.877 257 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 257 A C 2.472 180.094 177.584 0.062 0.000 1.186 257 A CA 1.509 53.616 52.037 0.117 0.000 0.620 257 A CB -0.807 18.269 19.000 0.126 0.000 0.822 257 A HN 0.294 nan 8.150 nan 0.000 0.443 258 R N -0.021 120.567 120.500 0.147 0.000 2.112 258 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 258 R C 2.141 178.492 176.300 0.085 0.000 1.137 258 R CA 2.189 58.372 56.100 0.139 0.000 0.944 258 R CB -0.784 29.654 30.300 0.230 0.000 0.857 258 R HN 0.783 nan 8.270 nan 0.000 0.435 259 E N 0.186 120.440 120.200 0.089 0.000 2.130 259 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 259 E C 1.991 178.574 176.600 -0.029 0.000 0.998 259 E CA 1.357 57.791 56.400 0.055 0.000 0.806 259 E CB -0.106 29.677 29.700 0.139 0.000 0.738 259 E HN 0.354 nan 8.360 nan 0.000 0.459 260 L N -0.720 120.421 121.223 -0.137 0.000 2.478 260 L HA 0.083 4.423 4.340 -0.000 0.000 0.223 260 L C 1.521 178.433 176.870 0.070 0.000 1.140 260 L CA 0.477 55.264 54.840 -0.088 0.000 0.842 260 L CB -0.004 41.935 42.059 -0.200 0.000 0.953 260 L HN 0.383 nan 8.230 nan 0.000 0.452 261 G N 0.723 109.560 108.800 0.063 0.000 2.160 261 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.251 261 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.251 261 G C 0.325 175.309 174.900 0.140 0.000 1.008 261 G CA 0.276 45.437 45.100 0.102 0.000 0.724 261 G HN 0.273 nan 8.290 nan 0.000 0.514 262 V N -2.539 117.424 119.914 0.081 0.000 2.904 262 V HA 0.786 4.906 4.120 -0.000 0.000 0.305 262 V C -0.163 175.948 176.094 0.029 0.000 1.067 262 V CA -0.986 61.334 62.300 0.032 0.000 1.044 262 V CB 1.394 33.184 31.823 -0.055 0.000 1.050 262 V HN 0.035 nan 8.190 nan 0.000 0.475 263 P HA 0.314 nan 4.420 nan 0.000 0.239 263 P C 0.057 177.345 177.300 -0.021 0.000 1.188 263 P CA 0.671 63.782 63.100 0.019 0.000 0.794 263 P CB 0.631 32.368 31.700 0.060 0.000 0.937 264 I N -1.065 119.490 120.570 -0.025 0.000 2.722 264 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 264 I C -1.445 174.620 176.117 -0.086 0.000 1.267 264 I CA -1.043 60.198 61.300 -0.099 0.000 1.036 264 I CB 2.519 40.407 38.000 -0.187 0.000 1.281 264 I HN -0.387 nan 8.210 nan 0.000 0.423 265 V N 7.008 126.859 119.914 -0.105 0.000 3.158 265 V HA 0.650 4.770 4.120 -0.000 0.000 0.315 265 V C -0.343 175.705 176.094 -0.078 0.000 1.148 265 V CA -0.679 61.581 62.300 -0.066 0.000 1.042 265 V CB 2.318 34.133 31.823 -0.013 0.000 1.101 265 V HN 0.808 nan 8.190 nan 0.000 0.448 266 M N 1.352 120.958 119.600 0.010 0.000 2.593 266 M HA 0.738 5.218 4.480 -0.000 0.000 0.290 266 M C -1.473 174.925 176.300 0.164 0.000 1.244 266 M CA -0.642 54.709 55.300 0.085 0.000 0.857 266 M CB 2.288 34.990 32.600 0.170 0.000 1.738 266 M HN 0.723 nan 8.290 nan 0.000 0.461 267 H N -0.237 118.861 119.070 0.046 0.000 2.894 267 H HA 0.470 5.026 4.556 -0.000 0.000 0.367 267 H C -1.919 173.459 175.328 0.083 0.000 1.144 267 H CA -0.487 55.584 56.048 0.038 0.000 1.180 267 H CB 1.856 31.624 29.762 0.009 0.000 1.758 267 H HN 0.759 nan 8.280 nan 0.000 0.541 268 D N 4.684 124.854 120.400 -0.384 0.000 2.468 268 D HA 0.008 4.648 4.640 -0.000 0.000 0.218 268 D C 0.667 176.641 176.300 -0.544 0.000 1.155 268 D CA -0.139 53.678 54.000 -0.305 0.000 0.924 268 D CB -0.139 40.527 40.800 -0.223 0.000 1.029 268 D HN 0.616 nan 8.370 nan 0.000 0.515 269 Y N 0.824 120.856 120.300 -0.447 0.000 2.373 269 Y HA 0.035 4.585 4.550 -0.000 0.000 0.293 269 Y C 1.325 176.965 175.900 -0.434 0.000 1.129 269 Y CA 0.654 58.509 58.100 -0.410 0.000 1.226 269 Y CB -0.361 37.951 38.460 -0.246 0.000 1.000 269 Y HN 0.209 nan 8.280 nan 0.000 0.549 270 L N 0.426 121.167 121.223 -0.805 0.000 2.202 270 L HA -0.039 4.300 4.340 -0.000 0.000 0.205 270 L C 2.633 179.284 176.870 -0.364 0.000 1.083 270 L CA 1.416 55.834 54.840 -0.703 0.000 0.790 270 L CB -0.735 40.929 42.059 -0.659 0.000 0.942 270 L HN 0.404 nan 8.230 nan 0.000 0.452 271 T N -3.164 111.219 114.554 -0.285 0.000 2.857 271 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 271 T C 1.928 176.532 174.700 -0.160 0.000 1.048 271 T CA 0.890 62.880 62.100 -0.183 0.000 1.139 271 T CB -0.687 68.096 68.868 -0.142 0.000 0.874 271 T HN 0.320 nan 8.240 nan 0.000 0.455 272 G N 1.558 110.226 108.800 -0.220 0.000 2.404 272 G HA2 0.396 4.355 3.960 -0.000 0.000 0.215 272 G HA3 0.396 4.355 3.960 -0.000 0.000 0.215 272 G C 0.903 175.785 174.900 -0.030 0.000 1.174 272 G CA 0.334 45.382 45.100 -0.086 0.000 0.780 272 G HN 1.285 nan 8.290 nan 0.000 0.537 273 G N -2.143 106.593 108.800 -0.106 0.000 2.570 273 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.686 273 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.686 273 G C 0.092 174.985 174.900 -0.011 0.000 1.257 273 G CA -0.105 44.940 45.100 -0.091 0.000 0.846 273 G HN 0.109 nan 8.290 nan 0.000 0.627 274 F N 0.497 120.494 119.950 0.079 0.000 2.187 274 F HA 0.073 4.600 4.527 -0.000 0.000 0.295 274 F C 3.132 178.954 175.800 0.038 0.000 1.091 274 F CA 2.175 60.222 58.000 0.079 0.000 1.308 274 F CB -0.561 38.458 39.000 0.032 0.000 1.030 274 F HN 0.560 nan 8.300 nan 0.000 0.487 275 T N 0.056 114.731 114.554 0.202 0.000 2.635 275 T HA -0.268 4.082 4.350 -0.000 0.000 0.267 275 T C 2.298 177.024 174.700 0.043 0.000 1.040 275 T CA 1.638 63.795 62.100 0.095 0.000 1.156 275 T CB -0.778 68.132 68.868 0.071 0.000 0.863 275 T HN 0.275 nan 8.240 nan 0.000 0.430 276 A N 1.976 124.824 122.820 0.048 0.000 1.933 276 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 276 A C 2.268 179.818 177.584 -0.055 0.000 1.175 276 A CA 1.748 53.784 52.037 -0.002 0.000 0.628 276 A CB -0.746 18.274 19.000 0.034 0.000 0.814 276 A HN 0.567 nan 8.150 nan 0.000 0.444 277 N N -0.586 118.147 118.700 0.055 0.000 2.216 277 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 277 N C 1.530 177.011 175.510 -0.048 0.000 1.017 277 N CA 1.841 54.903 53.050 0.020 0.000 0.861 277 N CB -0.165 38.466 38.487 0.240 0.000 0.986 277 N HN 0.414 nan 8.380 nan 0.000 0.428 278 T N 0.042 114.574 114.554 -0.037 0.000 2.708 278 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 278 T C 1.805 176.261 174.700 -0.407 0.000 1.037 278 T CA 1.739 63.716 62.100 -0.205 0.000 1.146 278 T CB -0.694 68.081 68.868 -0.155 0.000 0.865 278 T HN 0.294 nan 8.240 nan 0.000 0.435 279 T N 2.348 116.759 114.554 -0.238 0.000 2.653 279 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 279 T C 1.856 176.497 174.700 -0.099 0.000 1.035 279 T CA 1.257 63.262 62.100 -0.158 0.000 1.154 279 T CB -0.482 68.330 68.868 -0.093 0.000 0.862 279 T HN 0.150 nan 8.240 nan 0.000 0.441 280 L N 0.630 121.770 121.223 -0.139 0.000 2.156 280 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 280 L C 2.570 179.445 176.870 0.007 0.000 1.095 280 L CA 1.578 56.360 54.840 -0.097 0.000 0.770 280 L CB -0.876 41.020 42.059 -0.272 0.000 0.914 280 L HN 0.158 nan 8.230 nan 0.000 0.439 281 S N -1.175 114.501 115.700 -0.040 0.000 2.356 281 S HA -0.240 4.230 4.470 -0.000 0.000 0.223 281 S C 2.074 176.761 174.600 0.144 0.000 1.032 281 S CA 1.431 59.644 58.200 0.022 0.000 1.005 281 S CB -0.408 62.790 63.200 -0.003 0.000 0.867 281 S HN 0.678 nan 8.310 nan 0.000 0.449 282 H N -0.739 118.339 119.070 0.014 0.000 2.387 282 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 282 H C 1.770 177.113 175.328 0.026 0.000 1.090 282 H CA 1.600 57.652 56.048 0.007 0.000 1.332 282 H CB -1.050 28.719 29.762 0.012 0.000 1.386 282 H HN 0.640 nan 8.280 nan 0.000 0.516 283 Y N 0.498 120.847 120.300 0.083 0.000 2.181 283 Y HA -0.228 4.322 4.550 -0.000 0.000 0.288 283 Y C 2.457 178.377 175.900 0.033 0.000 1.146 283 Y CA 1.331 59.455 58.100 0.039 0.000 1.164 283 Y CB -0.479 37.987 38.460 0.011 0.000 0.982 283 Y HN 0.147 nan 8.280 nan 0.000 0.515 284 C N 0.036 119.417 119.300 0.134 0.000 2.440 284 C HA -0.093 4.367 4.460 -0.000 0.000 0.278 284 C C 2.712 177.697 174.990 -0.008 0.000 1.295 284 C CA 1.221 60.285 59.018 0.075 0.000 1.738 284 C CB -1.154 26.652 27.740 0.110 0.000 1.987 284 C HN 0.557 nan 8.230 nan 0.000 0.492 285 R N 2.085 122.538 120.500 -0.078 0.000 2.080 285 R HA -0.118 4.222 4.340 -0.000 0.000 0.236 285 R C 1.482 177.712 176.300 -0.118 0.000 1.137 285 R CA 2.097 58.096 56.100 -0.168 0.000 0.943 285 R CB -1.002 29.207 30.300 -0.152 0.000 0.846 285 R HN 0.426 nan 8.270 nan 0.000 0.431 286 D N -0.225 120.090 120.400 -0.141 0.000 2.309 286 D HA -0.100 4.540 4.640 -0.000 0.000 0.212 286 D C 0.412 176.589 176.300 -0.205 0.000 0.968 286 D CA 0.963 54.863 54.000 -0.167 0.000 0.882 286 D CB -0.044 40.645 40.800 -0.185 0.000 0.918 286 D HN 0.359 nan 8.370 nan 0.000 0.503 287 N N -0.983 117.574 118.700 -0.237 0.000 2.194 287 N HA 0.123 4.863 4.740 -0.000 0.000 0.231 287 N C 0.808 176.287 175.510 -0.051 0.000 1.247 287 N CA 0.372 53.294 53.050 -0.213 0.000 0.884 287 N CB 1.760 39.970 38.487 -0.463 0.000 1.146 287 N HN 0.069 nan 8.380 nan 0.000 0.516 288 G N 1.596 110.428 108.800 0.053 0.000 2.225 288 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 288 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 288 G C -0.089 174.842 174.900 0.052 0.000 1.024 288 G CA 0.217 45.392 45.100 0.125 0.000 0.784 288 G HN 0.268 nan 8.290 nan 0.000 0.507 289 L N 0.180 121.489 121.223 0.145 0.000 2.289 289 L HA 0.494 4.834 4.340 -0.000 0.000 0.285 289 L C 1.188 178.113 176.870 0.091 0.000 1.049 289 L CA -1.025 53.857 54.840 0.070 0.000 0.804 289 L CB 1.160 43.277 42.059 0.098 0.000 1.195 289 L HN 0.059 nan 8.230 nan 0.000 0.428 290 L N 4.149 125.324 121.223 -0.079 0.000 2.456 290 L HA 0.097 4.437 4.340 -0.000 0.000 0.272 290 L C -0.275 176.518 176.870 -0.128 0.000 1.189 290 L CA -0.075 54.713 54.840 -0.087 0.000 0.846 290 L CB 0.535 42.468 42.059 -0.209 0.000 1.111 290 L HN 0.395 nan 8.230 nan 0.000 0.475 291 L N 3.678 124.817 121.223 -0.140 0.000 2.324 291 L HA 0.319 4.659 4.340 -0.000 0.000 0.274 291 L C -0.402 176.297 176.870 -0.285 0.000 1.012 291 L CA -0.264 54.481 54.840 -0.159 0.000 0.859 291 L CB 0.843 42.867 42.059 -0.060 0.000 1.224 291 L HN 0.448 nan 8.230 nan 0.000 0.429 292 H N 5.275 124.040 119.070 -0.508 0.000 2.690 292 H HA 0.491 5.047 4.556 -0.000 0.000 0.314 292 H C -0.742 174.479 175.328 -0.179 0.000 1.069 292 H CA -0.314 55.411 56.048 -0.538 0.000 1.436 292 H CB 0.618 29.799 29.762 -0.969 0.000 1.462 292 H HN 0.491 nan 8.280 nan 0.000 0.511 293 I N 5.954 126.219 120.570 -0.507 0.000 2.354 293 I HA 0.113 4.283 4.170 -0.000 0.000 0.292 293 I C 0.109 176.095 176.117 -0.218 0.000 0.989 293 I CA -0.436 60.709 61.300 -0.258 0.000 1.188 293 I CB 0.948 38.779 38.000 -0.280 0.000 1.342 293 I HN 0.737 nan 8.210 nan 0.000 0.457 294 H N 7.612 126.632 119.070 -0.083 0.000 2.458 294 H HA 0.336 4.892 4.556 -0.000 0.000 0.330 294 H C 0.291 175.594 175.328 -0.042 0.000 1.111 294 H CA -0.449 55.512 56.048 -0.145 0.000 1.245 294 H CB 1.465 31.171 29.762 -0.095 0.000 1.456 294 H HN 0.604 nan 8.280 nan 0.000 0.488 295 R N 3.164 123.445 120.500 -0.364 0.000 2.586 295 R HA 0.416 4.756 4.340 -0.000 0.000 0.306 295 R C 0.125 176.413 176.300 -0.020 0.000 1.079 295 R CA -0.444 55.627 56.100 -0.049 0.000 1.083 295 R CB -0.009 30.229 30.300 -0.104 0.000 1.306 295 R HN 0.382 nan 8.270 nan 0.000 0.567 296 A N 1.584 124.485 122.820 0.135 0.000 2.598 296 A HA 0.006 4.326 4.320 -0.000 0.000 0.239 296 A C 1.006 178.593 177.584 0.005 0.000 1.032 296 A CA 1.025 53.150 52.037 0.146 0.000 0.760 296 A CB -0.163 18.936 19.000 0.165 0.000 0.946 296 A HN 0.847 nan 8.150 nan 0.000 0.512 297 M N 0.117 119.707 119.600 -0.017 0.000 2.995 297 M HA -0.316 4.164 4.480 -0.000 0.000 0.207 297 M C 1.123 177.368 176.300 -0.091 0.000 0.593 297 M CA 1.968 57.222 55.300 -0.078 0.000 0.791 297 M CB -1.998 30.541 32.600 -0.102 0.000 2.827 297 M HN 1.274 nan 8.290 nan 0.000 0.293 298 H N -0.872 118.123 119.070 -0.126 0.000 2.352 298 H HA 0.171 4.727 4.556 -0.000 0.000 0.299 298 H C 1.740 177.015 175.328 -0.088 0.000 1.097 298 H CA 2.001 57.994 56.048 -0.091 0.000 1.311 298 H CB -0.570 29.161 29.762 -0.051 0.000 1.377 298 H HN 0.499 nan 8.280 nan 0.000 0.504 299 A N 1.198 123.501 122.820 -0.863 0.000 2.121 299 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 299 A C 2.506 179.923 177.584 -0.279 0.000 1.154 299 A CA 1.083 52.747 52.037 -0.622 0.000 0.679 299 A CB -0.745 17.861 19.000 -0.656 0.000 0.795 299 A HN 0.365 nan 8.150 nan 0.000 0.458 300 V N -0.279 119.511 119.914 -0.208 0.000 2.392 300 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 300 V C 2.244 178.287 176.094 -0.086 0.000 1.059 300 V CA 2.237 64.465 62.300 -0.122 0.000 1.051 300 V CB -0.512 31.251 31.823 -0.100 0.000 0.658 300 V HN 0.619 nan 8.190 nan 0.000 0.455 301 I N 0.465 120.981 120.570 -0.090 0.000 2.927 301 I HA -0.023 4.147 4.170 -0.000 0.000 0.268 301 I C 1.684 177.775 176.117 -0.043 0.000 1.153 301 I CA 1.090 62.352 61.300 -0.064 0.000 1.459 301 I CB -0.055 37.902 38.000 -0.072 0.000 1.149 301 I HN 0.456 nan 8.210 nan 0.000 0.443 302 D N -0.479 119.886 120.400 -0.059 0.000 2.431 302 D HA -0.027 4.613 4.640 -0.000 0.000 0.213 302 D C 1.823 178.086 176.300 -0.062 0.000 1.130 302 D CA -0.018 53.955 54.000 -0.046 0.000 0.834 302 D CB 0.055 40.855 40.800 0.001 0.000 0.985 302 D HN -0.066 nan 8.370 nan 0.000 0.504 303 R N 0.300 120.760 120.500 -0.066 0.000 2.062 303 R HA 0.060 4.400 4.340 -0.000 0.000 0.226 303 R C 0.458 176.762 176.300 0.006 0.000 1.125 303 R CA 1.196 57.264 56.100 -0.052 0.000 0.966 303 R CB -0.169 30.085 30.300 -0.076 0.000 0.861 303 R HN 0.047 nan 8.270 nan 0.000 0.433 304 Q N 0.556 120.374 119.800 0.030 0.000 2.259 304 Q HA 0.070 4.410 4.340 -0.000 0.000 0.249 304 Q C 0.133 176.189 176.000 0.094 0.000 0.914 304 Q CA 0.014 55.854 55.803 0.061 0.000 0.904 304 Q CB 1.560 30.339 28.738 0.069 0.000 1.213 304 Q HN 0.156 nan 8.270 nan 0.000 0.428 305 K N 2.155 122.613 120.400 0.097 0.000 2.217 305 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 305 K C 1.191 177.856 176.600 0.108 0.000 1.051 305 K CA 1.196 57.550 56.287 0.112 0.000 0.952 305 K CB 0.351 32.910 32.500 0.098 0.000 0.736 305 K HN 0.564 nan 8.250 nan 0.000 0.453 306 N N -0.782 117.985 118.700 0.112 0.000 2.416 306 N HA -0.115 4.624 4.740 -0.000 0.000 0.177 306 N C -0.198 175.424 175.510 0.187 0.000 1.036 306 N CA 0.759 53.883 53.050 0.123 0.000 0.901 306 N CB 0.023 38.576 38.487 0.110 0.000 0.976 306 N HN 0.217 nan 8.380 nan 0.000 0.444 307 H N -1.462 117.666 119.070 0.097 0.000 3.029 307 H HA 0.545 5.101 4.556 -0.000 0.000 0.358 307 H C 0.181 175.597 175.328 0.145 0.000 1.129 307 H CA 0.380 56.514 56.048 0.143 0.000 1.230 307 H CB 1.494 31.326 29.762 0.117 0.000 1.827 307 H HN 0.324 nan 8.280 nan 0.000 0.530 308 G N 2.465 111.219 108.800 -0.075 0.000 2.395 308 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.201 308 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.201 308 G C -1.344 173.559 174.900 0.005 0.000 1.206 308 G CA -0.293 44.792 45.100 -0.026 0.000 1.210 308 G HN 0.658 nan 8.290 nan 0.000 0.557 309 M N 0.770 120.350 119.600 -0.033 0.000 2.324 309 M HA 0.379 4.859 4.480 -0.000 0.000 0.288 309 M C -0.342 175.972 176.300 0.023 0.000 1.097 309 M CA -0.774 54.504 55.300 -0.037 0.000 0.928 309 M CB 2.394 34.892 32.600 -0.170 0.000 1.648 309 M HN 0.758 nan 8.290 nan 0.000 0.460 310 H N 1.897 120.964 119.070 -0.006 0.000 2.771 310 H HA 0.067 4.623 4.556 -0.000 0.000 0.364 310 H C 0.192 175.566 175.328 0.076 0.000 1.133 310 H CA 0.784 56.866 56.048 0.057 0.000 1.423 310 H CB 0.868 30.661 29.762 0.050 0.000 1.425 310 H HN 0.790 nan 8.280 nan 0.000 0.606 311 F N 4.720 124.373 119.950 -0.494 0.000 2.202 311 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 311 F C 2.590 178.324 175.800 -0.109 0.000 1.082 311 F CA 1.744 59.579 58.000 -0.276 0.000 1.313 311 F CB -0.133 38.589 39.000 -0.462 0.000 1.024 311 F HN 0.669 nan 8.300 nan 0.000 0.495 312 R N -0.334 120.225 120.500 0.097 0.000 2.120 312 R HA -0.114 4.225 4.340 -0.000 0.000 0.234 312 R C 1.814 178.069 176.300 -0.074 0.000 1.123 312 R CA 1.923 58.010 56.100 -0.022 0.000 0.975 312 R CB -1.462 28.989 30.300 0.251 0.000 0.866 312 R HN 0.289 nan 8.270 nan 0.000 0.446 313 V N 1.950 121.864 119.914 0.000 0.000 2.358 313 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 313 V C 2.463 178.601 176.094 0.073 0.000 1.047 313 V CA 1.503 63.823 62.300 0.033 0.000 1.035 313 V CB -0.395 31.434 31.823 0.009 0.000 0.658 313 V HN 0.279 nan 8.190 nan 0.000 0.452 314 L N 0.056 121.268 121.223 -0.017 0.000 2.141 314 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 314 L C 2.675 179.514 176.870 -0.051 0.000 1.094 314 L CA 1.323 56.237 54.840 0.124 0.000 0.763 314 L CB -0.751 41.385 42.059 0.127 0.000 0.908 314 L HN 0.352 nan 8.230 nan 0.000 0.437 315 A N 0.184 122.676 122.820 -0.547 0.000 1.897 315 A HA -0.163 4.156 4.320 -0.000 0.000 0.215 315 A C 2.343 179.813 177.584 -0.189 0.000 1.181 315 A CA 1.288 53.005 52.037 -0.533 0.000 0.620 315 A CB -0.232 18.274 19.000 -0.823 0.000 0.821 315 A HN 0.259 nan 8.150 nan 0.000 0.443 316 K N -0.223 120.144 120.400 -0.055 0.000 2.057 316 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 316 K C 2.298 178.923 176.600 0.041 0.000 1.049 316 K CA 1.102 57.460 56.287 0.119 0.000 0.931 316 K CB -0.308 32.313 32.500 0.201 0.000 0.714 316 K HN 0.431 nan 8.250 nan 0.000 0.440 317 A N 1.794 124.626 122.820 0.020 0.000 1.902 317 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 317 A C 2.044 179.631 177.584 0.004 0.000 1.181 317 A CA 1.051 53.028 52.037 -0.100 0.000 0.623 317 A CB -0.567 18.363 19.000 -0.116 0.000 0.818 317 A HN 0.247 nan 8.150 nan 0.000 0.443 318 L N -0.385 120.878 121.223 0.068 0.000 2.046 318 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 318 L C 2.500 179.275 176.870 -0.159 0.000 1.077 318 L CA 2.317 57.087 54.840 -0.116 0.000 0.747 318 L CB -0.825 40.929 42.059 -0.508 0.000 0.896 318 L HN 0.524 nan 8.230 nan 0.000 0.432 319 R N -0.447 119.940 120.500 -0.189 0.000 2.105 319 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 319 R C 2.393 178.584 176.300 -0.181 0.000 1.135 319 R CA 1.480 57.429 56.100 -0.252 0.000 0.967 319 R CB -0.104 29.910 30.300 -0.476 0.000 0.861 319 R HN 0.405 nan 8.270 nan 0.000 0.442 320 L N -0.817 120.299 121.223 -0.178 0.000 2.007 320 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 320 L C 2.635 179.479 176.870 -0.043 0.000 1.073 320 L CA 1.484 56.146 54.840 -0.298 0.000 0.744 320 L CB -0.684 40.841 42.059 -0.890 0.000 0.898 320 L HN 0.240 nan 8.230 nan 0.000 0.435 321 S N -0.822 114.879 115.700 0.002 0.000 2.353 321 S HA -0.005 4.465 4.470 -0.000 0.000 0.222 321 S C 0.834 175.483 174.600 0.080 0.000 1.035 321 S CA 1.203 59.482 58.200 0.132 0.000 1.025 321 S CB -0.309 63.028 63.200 0.229 0.000 0.902 321 S HN 0.628 nan 8.310 nan 0.000 0.440 322 G N -1.792 107.010 108.800 0.004 0.000 2.634 322 G HA2 0.441 4.401 3.960 -0.000 0.000 0.568 322 G HA3 0.441 4.401 3.960 -0.000 0.000 0.568 322 G C -0.380 174.474 174.900 -0.078 0.000 1.495 322 G CA -0.404 44.679 45.100 -0.028 0.000 0.903 322 G HN 1.087 nan 8.290 nan 0.000 0.646 323 G N 0.191 108.927 108.800 -0.106 0.000 2.655 323 G HA2 0.595 4.555 3.960 -0.000 0.000 0.296 323 G HA3 0.595 4.555 3.960 -0.000 0.000 0.296 323 G C -0.186 174.653 174.900 -0.102 0.000 1.485 323 G CA 0.173 45.198 45.100 -0.124 0.000 0.869 323 G HN 0.389 nan 8.290 nan 0.000 0.540 324 D N -0.424 119.924 120.400 -0.087 0.000 2.301 324 D HA 0.079 4.719 4.640 -0.000 0.000 0.206 324 D C 0.324 176.677 176.300 0.088 0.000 0.979 324 D CA 1.011 55.003 54.000 -0.015 0.000 0.874 324 D CB 0.379 41.175 40.800 -0.008 0.000 0.968 324 D HN 0.548 nan 8.370 nan 0.000 0.510 325 H N -0.619 118.338 119.070 -0.189 0.000 2.690 325 H HA 0.622 5.178 4.556 -0.000 0.000 0.368 325 H C -0.728 174.412 175.328 -0.312 0.000 1.150 325 H CA -0.797 55.110 56.048 -0.235 0.000 1.174 325 H CB 3.072 32.675 29.762 -0.265 0.000 1.684 325 H HN -0.128 nan 8.280 nan 0.000 0.538 326 I N 1.604 122.094 120.570 -0.133 0.000 2.692 326 I HA 0.148 4.318 4.170 -0.000 0.000 0.293 326 I C -0.563 175.512 176.117 -0.070 0.000 1.200 326 I CA -0.607 60.611 61.300 -0.137 0.000 1.036 326 I CB 1.955 39.889 38.000 -0.110 0.000 1.258 326 I HN 0.682 nan 8.210 nan 0.000 0.421 327 H N 4.987 123.935 119.070 -0.203 0.000 2.964 327 H HA 0.084 4.640 4.556 -0.000 0.000 0.328 327 H C 0.548 175.790 175.328 -0.143 0.000 1.030 327 H CA 0.711 56.644 56.048 -0.192 0.000 1.445 327 H CB 1.051 30.634 29.762 -0.297 0.000 1.449 327 H HN 0.673 nan 8.280 nan 0.000 0.581 328 S N 1.797 117.495 115.700 -0.002 0.000 2.604 328 S HA 0.305 4.775 4.470 -0.000 0.000 0.235 328 S C 0.962 175.684 174.600 0.204 0.000 1.043 328 S CA 0.118 58.447 58.200 0.214 0.000 0.997 328 S CB 1.198 64.592 63.200 0.324 0.000 0.956 328 S HN 1.068 nan 8.310 nan 0.000 0.535 329 G N 1.079 109.891 108.800 0.021 0.000 2.663 329 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.686 329 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.686 329 G C 0.236 175.181 174.900 0.075 0.000 1.288 329 G CA 0.103 45.224 45.100 0.037 0.000 0.836 329 G HN 0.921 nan 8.290 nan 0.000 0.584 330 T N -2.808 111.771 114.554 0.041 0.000 2.971 330 T HA 0.457 4.807 4.350 -0.000 0.000 0.252 330 T C 1.868 176.640 174.700 0.120 0.000 1.022 330 T CA 1.389 63.531 62.100 0.069 0.000 0.980 330 T CB 0.392 69.193 68.868 -0.111 0.000 1.044 330 T HN 2.297 nan 8.240 nan 0.000 0.501 331 V N 0.846 120.801 119.914 0.068 0.000 0.550 331 V HA -0.348 3.772 4.120 -0.000 0.000 0.092 331 V C 2.131 178.230 176.094 0.009 0.000 2.065 331 V CA 1.971 64.290 62.300 0.031 0.000 3.496 331 V CB -2.041 29.782 31.823 -0.000 0.000 0.788 331 V HN 0.673 nan 8.190 nan 0.000 0.820 332 V N -0.565 119.329 119.914 -0.033 0.000 3.541 332 V HA 0.591 4.711 4.120 -0.000 0.000 0.267 332 V C 1.300 177.318 176.094 -0.127 0.000 1.213 332 V CA 1.701 63.965 62.300 -0.059 0.000 1.149 332 V CB -0.361 31.398 31.823 -0.106 0.000 0.822 332 V HN 1.005 nan 8.190 nan 0.000 0.462 333 G N 1.289 109.967 108.800 -0.205 0.000 2.773 333 G HA2 0.281 4.241 3.960 -0.000 0.000 0.186 333 G HA3 0.281 4.241 3.960 -0.000 0.000 0.186 333 G C 0.752 175.382 174.900 -0.450 0.000 1.411 333 G CA 0.073 44.976 45.100 -0.329 0.000 1.054 333 G HN 0.454 nan 8.290 nan 0.000 0.579 334 K N -0.975 118.973 120.400 -0.753 0.000 2.400 334 K HA 0.235 4.555 4.320 -0.000 0.000 0.194 334 K C 0.212 176.634 176.600 -0.296 0.000 1.033 334 K CA 0.242 56.047 56.287 -0.804 0.000 1.021 334 K CB -0.151 31.826 32.500 -0.870 0.000 0.808 334 K HN 0.228 nan 8.250 nan 0.000 0.505 335 L N 1.534 122.635 121.223 -0.203 0.000 2.319 335 L HA 0.349 4.689 4.340 -0.000 0.000 0.267 335 L C -0.142 176.696 176.870 -0.052 0.000 1.011 335 L CA -1.135 53.637 54.840 -0.113 0.000 0.818 335 L CB 1.888 43.889 42.059 -0.096 0.000 1.316 335 L HN 0.090 nan 8.230 nan 0.000 0.432 336 E N 0.554 120.736 120.200 -0.029 0.000 2.384 336 E HA 0.451 4.801 4.350 -0.000 0.000 0.266 336 E C -0.454 176.173 176.600 0.045 0.000 1.012 336 E CA -0.068 56.342 56.400 0.016 0.000 0.901 336 E CB 0.882 30.590 29.700 0.013 0.000 0.967 336 E HN 0.738 nan 8.360 nan 0.000 0.435 337 G N 4.035 112.877 108.800 0.070 0.000 2.378 337 G HA2 0.049 4.009 3.960 -0.000 0.000 0.306 337 G HA3 0.049 4.009 3.960 -0.000 0.000 0.306 337 G C -1.196 173.754 174.900 0.082 0.000 1.413 337 G CA -0.732 44.431 45.100 0.106 0.000 1.123 337 G HN 0.403 nan 8.290 nan 0.000 0.587 338 E N 1.759 122.015 120.200 0.093 0.000 2.360 338 E HA 0.127 4.477 4.350 -0.000 0.000 0.269 338 E C 1.416 178.018 176.600 0.004 0.000 1.022 338 E CA -0.526 55.908 56.400 0.057 0.000 0.887 338 E CB 1.998 31.744 29.700 0.077 0.000 0.990 338 E HN 0.669 nan 8.360 nan 0.000 0.426 339 R N 2.534 123.018 120.500 -0.026 0.000 2.112 339 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 339 R C 0.820 177.054 176.300 -0.110 0.000 1.137 339 R CA 2.086 58.136 56.100 -0.084 0.000 0.944 339 R CB 0.138 30.397 30.300 -0.070 0.000 0.857 339 R HN 0.444 nan 8.270 nan 0.000 0.435 340 D N 0.001 120.361 120.400 -0.066 0.000 2.123 340 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 340 D C 1.981 178.235 176.300 -0.075 0.000 0.976 340 D CA 1.033 54.992 54.000 -0.068 0.000 0.831 340 D CB -0.150 40.629 40.800 -0.035 0.000 0.974 340 D HN 0.326 nan 8.370 nan 0.000 0.469 341 I N 0.862 121.414 120.570 -0.030 0.000 2.286 341 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 341 I C 2.212 178.206 176.117 -0.204 0.000 1.115 341 I CA 1.032 62.345 61.300 0.021 0.000 1.392 341 I CB -0.164 37.952 38.000 0.192 0.000 1.065 341 I HN -0.022 nan 8.210 nan 0.000 0.418 342 T N 1.049 115.378 114.554 -0.375 0.000 2.777 342 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 342 T C 1.930 176.200 174.700 -0.716 0.000 1.040 342 T CA 1.106 62.684 62.100 -0.870 0.000 1.141 342 T CB -0.244 68.384 68.868 -0.401 0.000 0.868 342 T HN 0.230 nan 8.240 nan 0.000 0.444 343 L N 0.725 121.718 121.223 -0.383 0.000 2.083 343 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 343 L C 2.957 179.722 176.870 -0.175 0.000 1.083 343 L CA 1.252 55.937 54.840 -0.259 0.000 0.752 343 L CB -0.991 40.956 42.059 -0.187 0.000 0.899 343 L HN 0.351 nan 8.230 nan 0.000 0.433 344 G N 1.076 109.785 108.800 -0.151 0.000 2.459 344 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 344 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 344 G C 1.296 176.236 174.900 0.065 0.000 1.183 344 G CA 1.123 46.206 45.100 -0.028 0.000 0.776 344 G HN 0.489 nan 8.290 nan 0.000 0.552 345 F N 0.514 120.540 119.950 0.126 0.000 2.615 345 F HA 0.295 4.822 4.527 -0.000 0.000 0.297 345 F C 2.148 178.022 175.800 0.124 0.000 1.124 345 F CA -0.130 57.954 58.000 0.141 0.000 1.451 345 F CB -0.816 38.302 39.000 0.197 0.000 1.103 345 F HN -0.011 nan 8.300 nan 0.000 0.569 346 V N 1.385 121.373 119.914 0.124 0.000 2.343 346 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 346 V C 2.074 178.235 176.094 0.111 0.000 1.051 346 V CA 2.326 64.719 62.300 0.155 0.000 1.036 346 V CB -0.682 31.189 31.823 0.080 0.000 0.654 346 V HN 0.238 nan 8.190 nan 0.000 0.451 347 D N 0.045 120.491 120.400 0.076 0.000 2.144 347 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 347 D C 2.106 178.478 176.300 0.119 0.000 0.978 347 D CA 1.014 55.062 54.000 0.080 0.000 0.833 347 D CB -0.246 40.592 40.800 0.063 0.000 0.961 347 D HN 0.330 nan 8.370 nan 0.000 0.470 348 L N 0.061 121.387 121.223 0.172 0.000 2.191 348 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 348 L C 2.263 179.183 176.870 0.083 0.000 1.103 348 L CA 0.553 55.541 54.840 0.246 0.000 0.769 348 L CB -0.161 42.073 42.059 0.292 0.000 0.908 348 L HN 0.061 nan 8.230 nan 0.000 0.438 349 L N -1.214 120.020 121.223 0.019 0.000 2.202 349 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 349 L C 2.556 179.318 176.870 -0.180 0.000 1.083 349 L CA 0.717 55.485 54.840 -0.120 0.000 0.790 349 L CB -0.134 41.924 42.059 -0.001 0.000 0.942 349 L HN 0.129 nan 8.230 nan 0.000 0.452 350 R N -1.022 119.434 120.500 -0.073 0.000 2.237 350 R HA 0.106 4.446 4.340 -0.000 0.000 0.195 350 R C -0.205 176.067 176.300 -0.047 0.000 0.956 350 R CA 0.136 56.203 56.100 -0.054 0.000 1.029 350 R CB 0.305 30.612 30.300 0.011 0.000 0.972 350 R HN 0.214 nan 8.270 nan 0.000 0.493 351 D N -0.285 120.108 120.400 -0.011 0.000 2.384 351 D HA 0.043 4.683 4.640 -0.000 0.000 0.250 351 D C 0.031 176.419 176.300 0.147 0.000 1.029 351 D CA -0.370 53.677 54.000 0.078 0.000 0.990 351 D CB 1.390 42.267 40.800 0.128 0.000 1.175 351 D HN -0.193 nan 8.370 nan 0.000 0.532 352 D N -1.353 119.180 120.400 0.222 0.000 2.333 352 D HA -0.043 4.597 4.640 -0.000 0.000 0.208 352 D C -0.776 175.805 176.300 0.469 0.000 0.984 352 D CA 0.440 54.636 54.000 0.327 0.000 0.873 352 D CB 0.281 41.214 40.800 0.222 0.000 0.935 352 D HN 0.265 nan 8.370 nan 0.000 0.521 353 Y N -0.670 119.771 120.300 0.236 0.000 2.436 353 Y HA 0.393 4.943 4.550 -0.000 0.000 0.327 353 Y C -1.672 174.317 175.900 0.148 0.000 1.138 353 Y CA -0.757 57.441 58.100 0.163 0.000 1.042 353 Y CB 1.658 40.176 38.460 0.098 0.000 1.302 353 Y HN -0.303 nan 8.280 nan 0.000 0.439 354 T N 5.584 119.885 114.554 -0.422 0.000 2.949 354 T HA 0.225 4.575 4.350 -0.000 0.000 0.300 354 T C -0.981 173.449 174.700 -0.451 0.000 0.988 354 T CA -0.723 61.205 62.100 -0.285 0.000 0.993 354 T CB 1.354 70.209 68.868 -0.023 0.000 0.984 354 T HN 0.654 nan 8.240 nan 0.000 0.442 355 E N 2.324 122.310 120.200 -0.358 0.000 2.373 355 E HA 0.142 4.492 4.350 -0.000 0.000 0.267 355 E C 0.282 176.827 176.600 -0.092 0.000 1.032 355 E CA -0.547 55.722 56.400 -0.219 0.000 0.889 355 E CB 0.655 30.323 29.700 -0.053 0.000 0.984 355 E HN 0.423 nan 8.360 nan 0.000 0.425 356 K N 2.854 123.224 120.400 -0.050 0.000 2.510 356 K HA -0.204 4.116 4.320 -0.000 0.000 0.272 356 K C -0.928 175.647 176.600 -0.042 0.000 1.025 356 K CA 0.959 57.231 56.287 -0.025 0.000 1.134 356 K CB 0.202 32.693 32.500 -0.015 0.000 0.827 356 K HN 0.374 nan 8.250 nan 0.000 0.485 357 D N 4.164 124.529 120.400 -0.057 0.000 2.445 357 D HA 0.144 4.784 4.640 -0.000 0.000 0.236 357 D C 0.278 176.517 176.300 -0.101 0.000 1.315 357 D CA -0.492 53.470 54.000 -0.063 0.000 0.924 357 D CB 0.487 41.265 40.800 -0.036 0.000 1.447 357 D HN 0.479 nan 8.370 nan 0.000 0.532 358 R N 0.622 121.029 120.500 -0.155 0.000 2.193 358 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 358 R C 1.816 178.024 176.300 -0.153 0.000 1.110 358 R CA 1.212 57.169 56.100 -0.239 0.000 0.988 358 R CB -0.557 29.582 30.300 -0.268 0.000 0.871 358 R HN 0.497 nan 8.270 nan 0.000 0.458 359 S N 0.139 115.783 115.700 -0.093 0.000 2.481 359 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 359 S C 1.530 176.104 174.600 -0.044 0.000 0.996 359 S CA 0.537 58.701 58.200 -0.059 0.000 0.942 359 S CB 0.014 63.189 63.200 -0.043 0.000 0.768 359 S HN 0.273 nan 8.310 nan 0.000 0.520 360 R N 0.283 120.757 120.500 -0.044 0.000 2.468 360 R HA 0.336 4.676 4.340 -0.000 0.000 0.280 360 R C 1.196 177.493 176.300 -0.004 0.000 0.963 360 R CA 0.321 56.407 56.100 -0.024 0.000 1.083 360 R CB 0.339 30.624 30.300 -0.026 0.000 1.200 360 R HN 0.524 nan 8.270 nan 0.000 0.541 361 G N 1.693 110.475 108.800 -0.030 0.000 2.143 361 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.249 361 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.249 361 G C 0.129 175.093 174.900 0.107 0.000 0.981 361 G CA -0.243 44.869 45.100 0.020 0.000 0.665 361 G HN 0.268 nan 8.290 nan 0.000 0.528 362 I N 0.957 121.547 120.570 0.033 0.000 2.291 362 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 362 I C 1.275 177.405 176.117 0.021 0.000 1.064 362 I CA -0.883 60.470 61.300 0.089 0.000 1.269 362 I CB 0.418 38.449 38.000 0.052 0.000 1.418 362 I HN 0.054 nan 8.210 nan 0.000 0.485 363 Y N 5.348 125.573 120.300 -0.125 0.000 2.519 363 Y HA 0.161 4.711 4.550 -0.000 0.000 0.287 363 Y C 0.169 175.807 175.900 -0.436 0.000 1.128 363 Y CA 0.443 58.355 58.100 -0.314 0.000 1.282 363 Y CB -0.044 38.108 38.460 -0.513 0.000 1.027 363 Y HN 0.315 nan 8.280 nan 0.000 0.551 364 F N -1.883 118.178 119.950 0.185 0.000 2.591 364 F HA 0.332 4.859 4.527 -0.000 0.000 0.309 364 F C 0.104 175.907 175.800 0.006 0.000 1.098 364 F CA -1.714 56.349 58.000 0.104 0.000 0.937 364 F CB 1.041 40.104 39.000 0.105 0.000 1.250 364 F HN -0.501 nan 8.300 nan 0.000 0.447 365 T N 2.172 116.824 114.554 0.164 0.000 2.853 365 T HA 0.246 4.596 4.350 -0.000 0.000 0.298 365 T C -0.424 174.240 174.700 -0.060 0.000 0.978 365 T CA 0.162 62.250 62.100 -0.020 0.000 1.152 365 T CB 0.475 69.326 68.868 -0.028 0.000 0.914 365 T HN 0.462 nan 8.240 nan 0.000 0.539 366 Q N 2.416 122.110 119.800 -0.176 0.000 2.321 366 Q HA 0.514 4.854 4.340 -0.000 0.000 0.270 366 Q C -1.090 174.725 176.000 -0.308 0.000 1.032 366 Q CA -0.356 55.297 55.803 -0.251 0.000 0.784 366 Q CB 1.480 30.081 28.738 -0.228 0.000 1.264 366 Q HN 0.574 nan 8.270 nan 0.000 0.448 367 S N 3.061 118.582 115.700 -0.298 0.000 2.549 367 S HA 0.460 4.930 4.470 -0.000 0.000 0.297 367 S C -0.686 173.685 174.600 -0.383 0.000 1.115 367 S CA -0.491 57.623 58.200 -0.144 0.000 1.059 367 S CB 0.572 63.800 63.200 0.047 0.000 1.046 367 S HN 0.830 nan 8.310 nan 0.000 0.506 368 W N 0.837 122.183 121.300 0.076 0.000 2.870 368 W HA 0.211 4.871 4.660 -0.000 0.000 0.358 368 W C 0.515 177.056 176.519 0.036 0.000 1.043 368 W CA -0.474 56.893 57.345 0.038 0.000 1.692 368 W CB -0.045 29.432 29.460 0.029 0.000 1.100 368 W HN 0.590 nan 8.180 nan 0.000 0.557 369 V N -0.005 120.030 119.914 0.202 0.000 5.482 369 V HA -0.390 3.730 4.120 -0.000 0.000 0.262 369 V C 0.744 176.922 176.094 0.140 0.000 0.664 369 V CA 0.788 63.170 62.300 0.137 0.000 0.609 369 V CB -2.463 29.414 31.823 0.089 0.000 0.306 369 V HN 0.465 nan 8.190 nan 0.000 0.731 370 S N -1.836 113.959 115.700 0.158 0.000 3.127 370 S HA -0.220 4.250 4.470 -0.000 0.000 0.281 370 S C 0.746 175.406 174.600 0.099 0.000 1.293 370 S CA 1.342 59.611 58.200 0.115 0.000 1.156 370 S CB -1.702 61.543 63.200 0.076 0.000 1.389 370 S HN 1.672 nan 8.310 nan 0.000 0.672 371 T N 3.602 118.239 114.554 0.139 0.000 2.819 371 T HA 0.174 4.524 4.350 -0.000 0.000 0.282 371 T C -1.746 172.944 174.700 -0.017 0.000 1.013 371 T CA -0.100 62.045 62.100 0.076 0.000 1.159 371 T CB 0.018 68.973 68.868 0.145 0.000 1.007 371 T HN 0.158 nan 8.240 nan 0.000 0.514 372 P HA 0.227 nan 4.420 nan 0.000 0.269 372 P C 0.379 177.601 177.300 -0.130 0.000 1.217 372 P CA -0.193 62.874 63.100 -0.055 0.000 0.783 372 P CB 0.395 32.072 31.700 -0.039 0.000 0.898 373 G N 0.431 109.170 108.800 -0.102 0.000 2.420 373 G HA2 0.461 4.421 3.960 -0.000 0.000 0.284 373 G HA3 0.461 4.421 3.960 -0.000 0.000 0.284 373 G C -0.765 174.071 174.900 -0.106 0.000 1.177 373 G CA -0.433 44.582 45.100 -0.142 0.000 0.841 373 G HN 0.333 nan 8.290 nan 0.000 0.527 374 V N 2.327 122.160 119.914 -0.136 0.000 2.509 374 V HA 0.216 4.336 4.120 -0.000 0.000 0.284 374 V C 0.163 176.228 176.094 -0.049 0.000 1.047 374 V CA -0.896 61.351 62.300 -0.089 0.000 0.952 374 V CB 1.414 33.157 31.823 -0.133 0.000 0.988 374 V HN 0.550 nan 8.190 nan 0.000 0.469 375 L N 8.750 129.956 121.223 -0.029 0.000 2.361 375 L HA 0.391 4.731 4.340 -0.000 0.000 0.278 375 L C -2.002 174.800 176.870 -0.115 0.000 1.113 375 L CA -1.517 53.280 54.840 -0.072 0.000 0.849 375 L CB 0.702 42.690 42.059 -0.119 0.000 1.155 375 L HN 0.459 nan 8.230 nan 0.000 0.452 376 P HA 0.149 nan 4.420 nan 0.000 0.280 376 P C -1.123 176.020 177.300 -0.261 0.000 1.244 376 P CA -0.235 62.812 63.100 -0.087 0.000 0.784 376 P CB 1.287 33.019 31.700 0.053 0.000 0.913 377 V N 2.996 122.727 119.914 -0.305 0.000 2.384 377 V HA 0.541 4.661 4.120 -0.000 0.000 0.287 377 V C 0.427 176.214 176.094 -0.512 0.000 1.020 377 V CA -0.819 61.221 62.300 -0.434 0.000 0.850 377 V CB 1.354 32.893 31.823 -0.474 0.000 0.987 377 V HN 0.674 nan 8.190 nan 0.000 0.436 378 A N 3.903 126.371 122.820 -0.585 0.000 2.249 378 A HA 0.831 5.151 4.320 -0.000 0.000 0.314 378 A C 0.035 177.363 177.584 -0.427 0.000 1.290 378 A CA -0.237 51.468 52.037 -0.553 0.000 0.893 378 A CB 0.974 19.524 19.000 -0.750 0.000 1.165 378 A HN 0.998 nan 8.150 nan 0.000 0.530 379 S N 1.916 117.430 115.700 -0.310 0.000 2.533 379 S HA 0.750 5.220 4.470 -0.000 0.000 0.271 379 S C -0.512 173.982 174.600 -0.175 0.000 1.143 379 S CA 0.437 58.482 58.200 -0.257 0.000 0.891 379 S CB 1.268 64.376 63.200 -0.153 0.000 1.105 379 S HN 2.634 nan 8.310 nan 0.000 0.468 380 G N 1.407 110.087 108.800 -0.201 0.000 2.949 380 G HA2 0.456 4.416 3.960 -0.000 0.000 0.658 380 G HA3 0.456 4.416 3.960 -0.000 0.000 0.658 380 G C 0.876 175.612 174.900 -0.274 0.000 1.194 380 G CA 0.351 45.346 45.100 -0.176 0.000 1.204 380 G HN 2.306 nan 8.290 nan 0.000 0.524 381 G N 0.283 108.938 108.800 -0.243 0.000 2.182 381 G HA2 0.016 3.976 3.960 -0.000 0.000 0.248 381 G HA3 0.016 3.976 3.960 -0.000 0.000 0.248 381 G C 0.552 175.405 174.900 -0.079 0.000 1.042 381 G CA 0.860 45.798 45.100 -0.269 0.000 0.775 381 G HN 2.249 nan 8.290 nan 0.000 0.501 382 I N -2.354 118.166 120.570 -0.083 0.000 2.822 382 I HA 1.003 5.173 4.170 -0.000 0.000 0.312 382 I C 0.156 176.487 176.117 0.356 0.000 1.011 382 I CA -1.400 59.929 61.300 0.049 0.000 1.105 382 I CB 1.892 39.750 38.000 -0.236 0.000 1.291 382 I HN 0.363 nan 8.210 nan 0.000 0.474 383 H N 0.522 119.957 119.070 0.609 0.000 2.933 383 H HA 0.413 4.969 4.556 -0.000 0.000 0.310 383 H C 0.510 175.907 175.328 0.115 0.000 1.351 383 H CA -0.419 55.727 56.048 0.163 0.000 1.137 383 H CB 0.596 30.159 29.762 -0.332 0.000 1.853 383 H HN 0.374 nan 8.280 nan 0.000 0.539 384 V N -2.659 117.305 119.914 0.084 0.000 2.324 384 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 384 V C 1.376 177.434 176.094 -0.059 0.000 1.060 384 V CA 1.940 64.174 62.300 -0.110 0.000 1.042 384 V CB -1.261 30.415 31.823 -0.246 0.000 0.650 384 V HN 0.797 nan 8.190 nan 0.000 0.450 385 W N -0.113 121.271 121.300 0.140 0.000 2.465 385 W HA 0.007 4.667 4.660 -0.000 0.000 0.268 385 W C 2.584 179.044 176.519 -0.099 0.000 1.242 385 W CA 1.115 58.466 57.345 0.010 0.000 1.248 385 W CB -0.581 28.910 29.460 0.051 0.000 1.118 385 W HN 0.367 nan 8.180 nan 0.000 0.587 386 H N -0.615 118.530 119.070 0.124 0.000 2.559 386 H HA -0.036 4.519 4.556 -0.000 0.000 0.273 386 H C 1.849 177.253 175.328 0.126 0.000 1.000 386 H CA 1.053 57.149 56.048 0.079 0.000 1.195 386 H CB -0.382 29.373 29.762 -0.011 0.000 1.368 386 H HN 0.214 nan 8.280 nan 0.000 0.592 387 M N 1.349 121.076 119.600 0.212 0.000 2.086 387 M HA -0.029 4.451 4.480 -0.000 0.000 0.261 387 M C -0.899 175.491 176.300 0.151 0.000 1.067 387 M CA 1.279 56.684 55.300 0.175 0.000 1.116 387 M CB -0.864 31.774 32.600 0.064 0.000 1.348 387 M HN 0.033 nan 8.290 nan 0.000 0.407 388 P HA -0.149 nan 4.420 nan 0.000 0.215 388 P C 1.121 178.490 177.300 0.116 0.000 1.157 388 P CA 2.400 65.569 63.100 0.113 0.000 0.874 388 P CB -0.360 31.408 31.700 0.114 0.000 0.790 389 A N -0.924 121.977 122.820 0.136 0.000 1.898 389 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 389 A C 2.092 179.744 177.584 0.114 0.000 1.181 389 A CA 1.350 53.455 52.037 0.113 0.000 0.620 389 A CB -1.599 17.477 19.000 0.126 0.000 0.819 389 A HN 0.044 nan 8.150 nan 0.000 0.442 390 L N 0.132 121.458 121.223 0.171 0.000 2.012 390 L HA -0.157 4.182 4.340 -0.000 0.000 0.210 390 L C 2.709 179.728 176.870 0.247 0.000 1.073 390 L CA 2.530 57.518 54.840 0.246 0.000 0.748 390 L CB -1.779 40.417 42.059 0.228 0.000 0.891 390 L HN 0.409 nan 8.230 nan 0.000 0.431 391 T N -1.153 113.504 114.554 0.172 0.000 2.746 391 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 391 T C 1.821 176.581 174.700 0.101 0.000 1.039 391 T CA 1.146 63.329 62.100 0.138 0.000 1.142 391 T CB -0.062 68.869 68.868 0.105 0.000 0.866 391 T HN 0.307 nan 8.240 nan 0.000 0.444 392 E N 0.972 121.215 120.200 0.072 0.000 2.077 392 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 392 E C 2.195 178.778 176.600 -0.029 0.000 0.989 392 E CA 0.981 57.397 56.400 0.026 0.000 0.800 392 E CB -0.231 29.483 29.700 0.023 0.000 0.746 392 E HN 0.506 nan 8.360 nan 0.000 0.452 393 I N -0.375 120.146 120.570 -0.083 0.000 2.163 393 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 393 I C 2.067 177.943 176.117 -0.403 0.000 1.081 393 I CA 1.136 62.249 61.300 -0.312 0.000 1.353 393 I CB -0.230 37.452 38.000 -0.529 0.000 1.054 393 I HN 0.028 nan 8.210 nan 0.000 0.407 394 F N 0.269 120.213 119.950 -0.009 0.000 2.446 394 F HA 0.322 4.849 4.527 -0.000 0.000 0.292 394 F C 1.639 177.439 175.800 0.001 0.000 1.096 394 F CA 0.646 58.639 58.000 -0.011 0.000 1.438 394 F CB -0.702 38.287 39.000 -0.018 0.000 1.107 394 F HN 0.154 nan 8.300 nan 0.000 0.546 395 G N 0.695 109.590 108.800 0.159 0.000 2.698 395 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.233 395 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.233 395 G C 0.235 175.203 174.900 0.112 0.000 1.352 395 G CA 0.062 45.227 45.100 0.107 0.000 0.879 395 G HN 0.138 nan 8.290 nan 0.000 0.567 396 D N 0.496 120.946 120.400 0.084 0.000 2.117 396 D HA 0.008 4.648 4.640 -0.000 0.000 0.197 396 D C 1.097 177.436 176.300 0.066 0.000 0.987 396 D CA 1.503 55.547 54.000 0.073 0.000 0.829 396 D CB -0.189 40.654 40.800 0.070 0.000 0.961 396 D HN 0.402 nan 8.370 nan 0.000 0.460 397 D N 0.668 121.110 120.400 0.069 0.000 2.608 397 D HA 0.147 4.787 4.640 -0.000 0.000 0.224 397 D C -0.027 176.296 176.300 0.038 0.000 1.123 397 D CA 0.080 54.111 54.000 0.052 0.000 1.030 397 D CB -0.152 40.680 40.800 0.054 0.000 1.093 397 D HN 0.028 nan 8.370 nan 0.000 0.497 398 S N -1.522 114.179 115.700 0.002 0.000 2.625 398 S HA 0.646 5.116 4.470 -0.000 0.000 0.271 398 S C -0.828 173.701 174.600 -0.118 0.000 1.161 398 S CA -0.931 57.217 58.200 -0.088 0.000 0.820 398 S CB 1.754 64.887 63.200 -0.112 0.000 1.137 398 S HN -0.088 nan 8.310 nan 0.000 0.470 399 V N 1.650 121.441 119.914 -0.204 0.000 2.448 399 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 399 V C -0.749 175.229 176.094 -0.194 0.000 1.025 399 V CA -0.649 61.572 62.300 -0.132 0.000 0.859 399 V CB 1.008 32.768 31.823 -0.105 0.000 0.988 399 V HN 0.792 nan 8.190 nan 0.000 0.431 400 L N 5.115 126.273 121.223 -0.108 0.000 2.265 400 L HA 0.580 4.920 4.340 -0.000 0.000 0.289 400 L C -0.114 176.649 176.870 -0.178 0.000 1.033 400 L CA -0.296 54.435 54.840 -0.182 0.000 0.814 400 L CB 1.096 43.154 42.059 -0.002 0.000 1.203 400 L HN 0.620 nan 8.230 nan 0.000 0.423 401 Q N 3.616 123.171 119.800 -0.408 0.000 2.322 401 Q HA 0.523 4.862 4.340 -0.000 0.000 0.265 401 Q C -1.446 174.241 176.000 -0.522 0.000 0.985 401 Q CA -0.428 55.209 55.803 -0.276 0.000 0.849 401 Q CB 2.419 31.060 28.738 -0.161 0.000 1.274 401 Q HN 0.441 nan 8.270 nan 0.000 0.449 402 F N 1.070 120.993 119.950 -0.045 0.000 2.443 402 F HA 0.340 4.867 4.527 -0.000 0.000 0.369 402 F C 0.933 176.710 175.800 -0.038 0.000 1.090 402 F CA -0.725 57.244 58.000 -0.051 0.000 1.129 402 F CB 1.144 40.110 39.000 -0.056 0.000 1.367 402 F HN 0.740 nan 8.300 nan 0.000 0.465 403 G N 1.539 110.380 108.800 0.068 0.000 2.670 403 G HA2 0.026 3.986 3.960 -0.000 0.000 0.215 403 G HA3 0.026 3.986 3.960 -0.000 0.000 0.215 403 G C 1.801 176.748 174.900 0.078 0.000 1.359 403 G CA 0.611 45.744 45.100 0.055 0.000 0.897 403 G HN 0.727 nan 8.290 nan 0.000 0.552 404 G N 0.796 109.637 108.800 0.068 0.000 2.545 404 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.222 404 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.222 404 G C 1.737 176.689 174.900 0.088 0.000 1.126 404 G CA 1.530 46.689 45.100 0.098 0.000 0.754 404 G HN 0.791 nan 8.290 nan 0.000 0.583 405 G N -0.855 107.940 108.800 -0.009 0.000 2.586 405 G HA2 0.075 4.035 3.960 -0.000 0.000 0.215 405 G HA3 0.075 4.035 3.960 -0.000 0.000 0.215 405 G C 1.535 176.489 174.900 0.091 0.000 1.128 405 G CA 1.707 46.722 45.100 -0.142 0.000 0.774 405 G HN 0.456 nan 8.290 nan 0.000 0.543 406 T N 0.145 114.798 114.554 0.166 0.000 3.085 406 T HA 0.182 4.532 4.350 -0.000 0.000 0.241 406 T C 1.962 176.776 174.700 0.190 0.000 0.988 406 T CA -0.185 62.009 62.100 0.157 0.000 1.117 406 T CB 0.039 68.960 68.868 0.087 0.000 0.978 406 T HN 0.048 nan 8.240 nan 0.000 0.454 407 L N 1.304 122.622 121.223 0.159 0.000 2.591 407 L HA 0.285 4.625 4.340 -0.000 0.000 0.228 407 L C 2.219 179.204 176.870 0.192 0.000 1.133 407 L CA 0.709 55.631 54.840 0.136 0.000 0.880 407 L CB -0.793 41.312 42.059 0.078 0.000 1.033 407 L HN 0.339 nan 8.230 nan 0.000 0.450 408 G N -2.128 106.855 108.800 0.305 0.000 3.088 408 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.217 408 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.217 408 G C 0.615 175.712 174.900 0.328 0.000 1.159 408 G CA -0.257 45.063 45.100 0.367 0.000 0.760 408 G HN 0.272 nan 8.290 nan 0.000 0.550 409 H N 1.990 121.197 119.070 0.228 0.000 2.848 409 H HA 0.088 4.644 4.556 -0.000 0.000 0.341 409 H C -1.045 174.244 175.328 -0.065 0.000 1.060 409 H CA -1.194 54.852 56.048 -0.003 0.000 1.444 409 H CB 2.005 31.786 29.762 0.032 0.000 1.446 409 H HN 0.012 nan 8.280 nan 0.000 0.583 410 P HA -0.141 nan 4.420 nan 0.000 0.219 410 P C 0.683 178.194 177.300 0.351 0.000 1.146 410 P CA 1.125 64.191 63.100 -0.057 0.000 0.808 410 P CB 0.087 31.634 31.700 -0.254 0.000 0.779 411 W N 0.343 121.857 121.300 0.357 0.000 3.239 411 W HA 0.514 5.174 4.660 -0.000 0.000 0.348 411 W C 1.060 177.631 176.519 0.087 0.000 1.183 411 W CA 0.356 57.813 57.345 0.186 0.000 1.819 411 W CB -0.720 28.841 29.460 0.167 0.000 1.091 411 W HN 0.051 nan 8.180 nan 0.000 0.629 412 G N 1.017 109.987 108.800 0.283 0.000 2.655 412 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.680 412 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.680 412 G C 0.616 175.539 174.900 0.037 0.000 1.302 412 G CA -0.227 44.951 45.100 0.129 0.000 0.872 412 G HN -0.022 nan 8.290 nan 0.000 0.540 413 N N -0.031 118.671 118.700 0.004 0.000 2.188 413 N HA 0.026 4.766 4.740 -0.000 0.000 0.184 413 N C 2.689 178.141 175.510 -0.096 0.000 1.018 413 N CA 2.410 55.438 53.050 -0.036 0.000 0.858 413 N CB -0.581 37.881 38.487 -0.043 0.000 0.989 413 N HN 1.062 nan 8.380 nan 0.000 0.426 414 A N 1.437 124.193 122.820 -0.106 0.000 1.855 414 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 414 A C -0.184 177.313 177.584 -0.145 0.000 1.191 414 A CA 1.282 53.242 52.037 -0.129 0.000 0.613 414 A CB -1.483 17.443 19.000 -0.124 0.000 0.829 414 A HN 0.209 nan 8.150 nan 0.000 0.442 415 P HA -0.061 nan 4.420 nan 0.000 0.217 415 P C 1.751 178.657 177.300 -0.656 0.000 1.150 415 P CA 1.592 64.509 63.100 -0.305 0.000 0.832 415 P CB -0.348 31.275 31.700 -0.129 0.000 0.787 416 G N 0.457 108.857 108.800 -0.666 0.000 2.476 416 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 416 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 416 G C 1.663 176.462 174.900 -0.169 0.000 1.164 416 G CA 1.195 46.099 45.100 -0.327 0.000 0.768 416 G HN 0.333 nan 8.290 nan 0.000 0.560 417 A N -0.087 122.643 122.820 -0.150 0.000 1.898 417 A HA 0.116 4.436 4.320 -0.000 0.000 0.216 417 A C 2.629 180.137 177.584 -0.125 0.000 1.181 417 A CA 1.821 53.789 52.037 -0.115 0.000 0.620 417 A CB -0.667 18.276 19.000 -0.096 0.000 0.819 417 A HN 0.287 nan 8.150 nan 0.000 0.442 418 V N 0.116 119.952 119.914 -0.130 0.000 2.282 418 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 418 V C 3.072 179.092 176.094 -0.124 0.000 1.057 418 V CA 2.137 64.376 62.300 -0.100 0.000 1.032 418 V CB -1.376 30.402 31.823 -0.075 0.000 0.645 418 V HN 0.628 nan 8.190 nan 0.000 0.447 419 A N 0.341 123.066 122.820 -0.159 0.000 1.883 419 A HA -0.310 4.010 4.320 -0.000 0.000 0.217 419 A C 2.039 179.501 177.584 -0.203 0.000 1.186 419 A CA 2.537 54.474 52.037 -0.167 0.000 0.624 419 A CB -0.922 18.025 19.000 -0.089 0.000 0.822 419 A HN 0.704 nan 8.150 nan 0.000 0.444 420 N N -1.221 117.336 118.700 -0.237 0.000 2.120 420 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 420 N C 1.975 177.354 175.510 -0.219 0.000 1.024 420 N CA 1.435 54.271 53.050 -0.356 0.000 0.852 420 N CB -0.150 38.033 38.487 -0.507 0.000 1.003 420 N HN 0.449 nan 8.380 nan 0.000 0.424 421 R N 1.109 121.527 120.500 -0.138 0.000 2.066 421 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 421 R C 1.773 178.049 176.300 -0.041 0.000 1.131 421 R CA 1.025 57.082 56.100 -0.072 0.000 0.955 421 R CB -0.755 29.516 30.300 -0.049 0.000 0.851 421 R HN 0.014 nan 8.270 nan 0.000 0.432 422 V N 0.925 120.811 119.914 -0.046 0.000 2.343 422 V HA -0.230 3.889 4.120 -0.000 0.000 0.247 422 V C 2.353 178.419 176.094 -0.046 0.000 1.051 422 V CA 1.998 64.294 62.300 -0.007 0.000 1.036 422 V CB -0.955 30.811 31.823 -0.094 0.000 0.654 422 V HN 0.558 nan 8.190 nan 0.000 0.451 423 A N -0.311 122.433 122.820 -0.128 0.000 1.877 423 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 423 A C 2.170 179.722 177.584 -0.054 0.000 1.186 423 A CA 2.194 54.152 52.037 -0.132 0.000 0.620 423 A CB -0.604 18.275 19.000 -0.201 0.000 0.822 423 A HN 0.461 nan 8.150 nan 0.000 0.443 424 L N 0.037 121.234 121.223 -0.044 0.000 2.017 424 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 424 L C 2.241 179.129 176.870 0.031 0.000 1.073 424 L CA 2.414 57.258 54.840 0.008 0.000 0.745 424 L CB -0.600 41.468 42.059 0.015 0.000 0.894 424 L HN 0.512 nan 8.230 nan 0.000 0.432 425 E N -0.442 119.780 120.200 0.037 0.000 2.110 425 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 425 E C 2.164 178.812 176.600 0.079 0.000 0.988 425 E CA 1.017 57.452 56.400 0.059 0.000 0.804 425 E CB -0.297 29.446 29.700 0.071 0.000 0.745 425 E HN 0.664 nan 8.360 nan 0.000 0.458 426 A N 1.029 123.907 122.820 0.098 0.000 1.883 426 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 426 A C 2.477 180.105 177.584 0.073 0.000 1.186 426 A CA 1.480 53.583 52.037 0.111 0.000 0.624 426 A CB -0.958 18.102 19.000 0.100 0.000 0.822 426 A HN 0.369 nan 8.150 nan 0.000 0.444 427 C N -1.471 117.861 119.300 0.054 0.000 2.429 427 C HA -0.034 4.426 4.460 -0.000 0.000 0.277 427 C C 2.738 177.762 174.990 0.057 0.000 1.262 427 C CA 0.932 59.983 59.018 0.055 0.000 1.733 427 C CB -1.281 26.493 27.740 0.057 0.000 2.010 427 C HN 0.458 nan 8.230 nan 0.000 0.483 428 V N 0.515 120.463 119.914 0.055 0.000 2.307 428 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 428 V C 2.547 178.670 176.094 0.047 0.000 1.045 428 V CA 2.172 64.502 62.300 0.052 0.000 1.024 428 V CB -0.863 30.990 31.823 0.050 0.000 0.651 428 V HN 0.619 nan 8.190 nan 0.000 0.449 429 Q N -0.109 119.721 119.800 0.050 0.000 2.061 429 Q HA -0.253 4.086 4.340 -0.000 0.000 0.204 429 Q C 2.251 178.277 176.000 0.043 0.000 0.984 429 Q CA 2.293 58.122 55.803 0.043 0.000 0.846 429 Q CB -0.301 28.464 28.738 0.046 0.000 0.902 429 Q HN 0.631 nan 8.270 nan 0.000 0.421 430 A N 1.221 124.072 122.820 0.051 0.000 1.902 430 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 430 A C 2.131 179.740 177.584 0.042 0.000 1.181 430 A CA 1.532 53.598 52.037 0.048 0.000 0.623 430 A CB -0.750 18.283 19.000 0.055 0.000 0.818 430 A HN 0.461 nan 8.150 nan 0.000 0.443 431 R N 0.178 120.703 120.500 0.043 0.000 2.083 431 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 431 R C 1.881 178.201 176.300 0.034 0.000 1.137 431 R CA 2.069 58.193 56.100 0.039 0.000 0.951 431 R CB -0.580 29.746 30.300 0.043 0.000 0.851 431 R HN 0.736 nan 8.270 nan 0.000 0.434 432 N N -0.014 118.706 118.700 0.033 0.000 2.223 432 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 432 N C 1.033 176.557 175.510 0.024 0.000 1.016 432 N CA 1.063 54.130 53.050 0.028 0.000 0.863 432 N CB 0.008 38.511 38.487 0.028 0.000 0.983 432 N HN 0.436 nan 8.380 nan 0.000 0.429 433 E N -0.270 119.945 120.200 0.025 0.000 2.502 433 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 433 E C 0.976 177.589 176.600 0.022 0.000 1.062 433 E CA 0.128 56.541 56.400 0.022 0.000 0.867 433 E CB 0.273 29.987 29.700 0.023 0.000 0.888 433 E HN 0.477 nan 8.360 nan 0.000 0.510 434 G N 1.862 110.676 108.800 0.024 0.000 2.179 434 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 434 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 434 G C 0.234 175.149 174.900 0.025 0.000 0.990 434 G CA -0.302 44.812 45.100 0.022 0.000 0.646 434 G HN 0.152 nan 8.290 nan 0.000 0.517 435 R N 0.770 121.287 120.500 0.029 0.000 2.694 435 R HA 0.384 4.723 4.340 -0.000 0.000 0.268 435 R C -0.465 175.854 176.300 0.033 0.000 1.061 435 R CA -0.071 56.048 56.100 0.032 0.000 1.133 435 R CB 0.533 30.856 30.300 0.038 0.000 1.020 435 R HN 0.195 nan 8.270 nan 0.000 0.475 436 D N 2.833 123.253 120.400 0.032 0.000 2.347 436 D HA 0.053 4.693 4.640 -0.000 0.000 0.235 436 D C 0.905 177.228 176.300 0.039 0.000 1.149 436 D CA -0.136 53.883 54.000 0.032 0.000 0.850 436 D CB 1.009 41.825 40.800 0.027 0.000 1.061 436 D HN 0.423 nan 8.370 nan 0.000 0.487 437 L N 3.410 124.657 121.223 0.041 0.000 2.056 437 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 437 L C 2.496 179.399 176.870 0.054 0.000 1.078 437 L CA 1.148 56.019 54.840 0.052 0.000 0.749 437 L CB -0.324 41.767 42.059 0.054 0.000 0.901 437 L HN 0.468 nan 8.230 nan 0.000 0.433 438 A N 0.323 123.169 122.820 0.043 0.000 1.908 438 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 438 A C 2.387 179.996 177.584 0.042 0.000 1.181 438 A CA 1.686 53.747 52.037 0.040 0.000 0.627 438 A CB -0.386 18.630 19.000 0.026 0.000 0.818 438 A HN 0.365 nan 8.150 nan 0.000 0.445 439 R N -0.923 119.600 120.500 0.038 0.000 2.156 439 R HA 0.069 4.409 4.340 -0.000 0.000 0.207 439 R C 1.038 177.364 176.300 0.044 0.000 1.040 439 R CA 1.100 57.221 56.100 0.036 0.000 1.013 439 R CB 0.024 30.340 30.300 0.028 0.000 0.931 439 R HN 0.594 nan 8.270 nan 0.000 0.465 440 E N -0.129 120.101 120.200 0.051 0.000 2.501 440 E HA 0.108 4.458 4.350 -0.000 0.000 0.201 440 E C 1.424 178.070 176.600 0.076 0.000 1.016 440 E CA -0.052 56.383 56.400 0.058 0.000 0.920 440 E CB 0.901 30.632 29.700 0.051 0.000 1.023 440 E HN 0.342 nan 8.360 nan 0.000 0.474 441 G N 2.317 111.168 108.800 0.086 0.000 2.529 441 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.219 441 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.219 441 G C 1.325 176.317 174.900 0.155 0.000 1.177 441 G CA 1.225 46.392 45.100 0.112 0.000 0.773 441 G HN 0.240 nan 8.290 nan 0.000 0.573 442 N N -0.323 118.488 118.700 0.186 0.000 2.244 442 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 442 N C 2.176 177.828 175.510 0.236 0.000 1.016 442 N CA 1.361 54.590 53.050 0.299 0.000 0.866 442 N CB -0.100 38.511 38.487 0.208 0.000 0.980 442 N HN 0.253 nan 8.380 nan 0.000 0.430 443 T N 0.832 115.470 114.554 0.139 0.000 2.904 443 T HA 0.040 4.390 4.350 -0.000 0.000 0.267 443 T C 1.912 176.662 174.700 0.084 0.000 1.059 443 T CA 0.592 62.754 62.100 0.103 0.000 1.137 443 T CB -0.057 68.856 68.868 0.076 0.000 0.879 443 T HN 0.168 nan 8.240 nan 0.000 0.467 444 I N 0.852 121.470 120.570 0.079 0.000 2.202 444 I HA -0.133 4.037 4.170 -0.000 0.000 0.242 444 I C 2.162 178.290 176.117 0.019 0.000 1.091 444 I CA 0.891 62.227 61.300 0.060 0.000 1.368 444 I CB -0.305 37.732 38.000 0.061 0.000 1.058 444 I HN 0.162 nan 8.210 nan 0.000 0.410 445 I N 0.581 121.148 120.570 -0.006 0.000 2.179 445 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 445 I C 2.680 178.693 176.117 -0.174 0.000 1.088 445 I CA 1.535 62.743 61.300 -0.154 0.000 1.357 445 I CB -1.294 36.522 38.000 -0.305 0.000 1.051 445 I HN 0.234 nan 8.210 nan 0.000 0.409 446 R N 1.378 121.861 120.500 -0.027 0.000 2.083 446 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 446 R C 2.164 178.445 176.300 -0.032 0.000 1.137 446 R CA 1.632 57.738 56.100 0.010 0.000 0.951 446 R CB -0.330 30.041 30.300 0.118 0.000 0.851 446 R HN 0.407 nan 8.270 nan 0.000 0.434 447 E N -0.659 119.543 120.200 0.004 0.000 2.085 447 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 447 E C 1.867 178.454 176.600 -0.023 0.000 0.994 447 E CA 1.332 57.755 56.400 0.038 0.000 0.801 447 E CB -0.196 29.563 29.700 0.098 0.000 0.743 447 E HN 0.504 nan 8.360 nan 0.000 0.453 448 A N 1.044 123.780 122.820 -0.141 0.000 2.015 448 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 448 A C 2.376 179.453 177.584 -0.844 0.000 1.163 448 A CA 1.780 53.505 52.037 -0.520 0.000 0.646 448 A CB -0.926 17.851 19.000 -0.372 0.000 0.806 448 A HN 0.402 nan 8.150 nan 0.000 0.448 449 T N -2.335 111.938 114.554 -0.468 0.000 3.007 449 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 449 T C 1.551 176.078 174.700 -0.289 0.000 1.107 449 T CA 1.315 63.187 62.100 -0.380 0.000 1.118 449 T CB -0.204 68.519 68.868 -0.242 0.000 0.889 449 T HN 0.331 nan 8.240 nan 0.000 0.506 450 K N 0.745 121.010 120.400 -0.225 0.000 2.296 450 K HA 0.056 4.375 4.320 -0.000 0.000 0.200 450 K C 1.908 178.529 176.600 0.035 0.000 1.048 450 K CA 0.953 57.211 56.287 -0.048 0.000 0.966 450 K CB -0.209 32.326 32.500 0.058 0.000 0.754 450 K HN 0.855 nan 8.250 nan 0.000 0.466 451 W N -0.670 120.629 121.300 -0.001 0.000 2.871 451 W HA 0.359 5.019 4.660 -0.000 0.000 0.340 451 W C 0.018 176.541 176.519 0.007 0.000 1.058 451 W CA -0.456 56.892 57.345 0.005 0.000 1.633 451 W CB 0.049 29.510 29.460 0.002 0.000 1.067 451 W HN -0.186 nan 8.180 nan 0.000 0.554 452 S N 3.162 118.557 115.700 -0.507 0.000 2.528 452 S HA 0.374 4.844 4.470 -0.000 0.000 0.303 452 S C -1.432 173.035 174.600 -0.222 0.000 1.123 452 S CA -1.329 56.641 58.200 -0.382 0.000 1.138 452 S CB 1.144 63.878 63.200 -0.775 0.000 0.984 452 S HN -0.287 nan 8.310 nan 0.000 0.474 453 P HA -0.101 nan 4.420 nan 0.000 0.216 453 P C 0.892 178.137 177.300 -0.091 0.000 1.150 453 P CA 1.114 64.247 63.100 0.056 0.000 0.843 453 P CB 0.233 32.094 31.700 0.269 0.000 0.787 454 E N -0.661 119.492 120.200 -0.078 0.000 2.051 454 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 454 E C 1.880 178.332 176.600 -0.247 0.000 0.991 454 E CA 0.763 57.031 56.400 -0.221 0.000 0.799 454 E CB -1.313 28.334 29.700 -0.088 0.000 0.748 454 E HN 0.130 nan 8.360 nan 0.000 0.449 455 L N 0.491 121.558 121.223 -0.260 0.000 2.056 455 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 455 L C 2.049 178.722 176.870 -0.328 0.000 1.078 455 L CA 1.933 56.594 54.840 -0.298 0.000 0.749 455 L CB -0.874 40.958 42.059 -0.378 0.000 0.901 455 L HN 0.114 nan 8.230 nan 0.000 0.433 456 A N -0.307 122.327 122.820 -0.311 0.000 1.917 456 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 456 A C 2.443 179.845 177.584 -0.303 0.000 1.182 456 A CA 2.109 53.990 52.037 -0.259 0.000 0.633 456 A CB -1.214 17.680 19.000 -0.177 0.000 0.819 456 A HN 0.589 nan 8.150 nan 0.000 0.448 457 A N -0.541 122.001 122.820 -0.464 0.000 1.968 457 A HA 0.261 4.581 4.320 -0.000 0.000 0.217 457 A C 2.462 179.635 177.584 -0.685 0.000 1.169 457 A CA 1.795 53.447 52.037 -0.641 0.000 0.638 457 A CB -0.856 17.430 19.000 -1.189 0.000 0.812 457 A HN 1.024 nan 8.150 nan 0.000 0.446 458 A N -0.920 121.550 122.820 -0.584 0.000 1.898 458 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 458 A C 2.290 179.726 177.584 -0.248 0.000 1.181 458 A CA 1.600 53.374 52.037 -0.439 0.000 0.620 458 A CB -1.267 17.707 19.000 -0.043 0.000 0.819 458 A HN 0.566 nan 8.150 nan 0.000 0.442 459 C N -0.447 118.713 119.300 -0.233 0.000 2.413 459 C HA -0.119 4.341 4.460 -0.000 0.000 0.276 459 C C 2.680 177.767 174.990 0.162 0.000 1.236 459 C CA 1.265 60.232 59.018 -0.086 0.000 1.735 459 C CB -1.324 26.264 27.740 -0.254 0.000 2.031 459 C HN 0.687 nan 8.230 nan 0.000 0.474 460 E N 0.143 120.310 120.200 -0.054 0.000 2.058 460 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 460 E C 2.121 178.620 176.600 -0.168 0.000 0.997 460 E CA 1.477 57.828 56.400 -0.081 0.000 0.801 460 E CB -0.230 29.381 29.700 -0.148 0.000 0.746 460 E HN 0.495 nan 8.360 nan 0.000 0.450 461 V N 0.197 119.881 119.914 -0.383 0.000 2.358 461 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 461 V C 1.393 177.191 176.094 -0.493 0.000 1.047 461 V CA 1.273 63.212 62.300 -0.602 0.000 1.035 461 V CB -0.276 30.868 31.823 -1.131 0.000 0.658 461 V HN 0.440 nan 8.190 nan 0.000 0.452 462 W N 0.712 121.948 121.300 -0.107 0.000 3.123 462 W HA 0.243 4.903 4.660 -0.000 0.000 0.383 462 W C 1.942 178.382 176.519 -0.131 0.000 1.102 462 W CA -0.279 56.929 57.345 -0.228 0.000 1.865 462 W CB -0.247 28.872 29.460 -0.569 0.000 1.111 462 W HN 0.430 nan 8.180 nan 0.000 0.621 463 K N 0.468 120.961 120.400 0.156 0.000 2.218 463 K HA -0.194 4.126 4.320 -0.000 0.000 0.205 463 K C 0.775 177.230 176.600 -0.242 0.000 1.046 463 K CA 1.430 57.639 56.287 -0.130 0.000 0.933 463 K CB -0.102 32.328 32.500 -0.116 0.000 0.728 463 K HN -0.052 nan 8.250 nan 0.000 0.454 464 E N 0.650 120.779 120.200 -0.119 0.000 2.474 464 E HA 0.121 4.471 4.350 -0.000 0.000 0.195 464 E C 0.198 176.746 176.600 -0.087 0.000 1.039 464 E CA 0.023 56.350 56.400 -0.122 0.000 0.881 464 E CB 0.318 29.961 29.700 -0.095 0.000 0.970 464 E HN 0.287 nan 8.360 nan 0.000 0.486 465 I N 1.774 122.326 120.570 -0.030 0.000 2.342 465 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 465 I C 0.334 176.471 176.117 0.033 0.000 1.010 465 I CA -0.143 61.147 61.300 -0.017 0.000 1.308 465 I CB 0.486 38.519 38.000 0.056 0.000 1.400 465 I HN -0.271 nan 8.210 nan 0.000 0.488 466 K N 5.477 125.755 120.400 -0.202 0.000 2.508 466 K HA 0.572 4.892 4.320 -0.000 0.000 0.260 466 K C -1.587 174.764 176.600 -0.415 0.000 0.949 466 K CA -0.577 55.640 56.287 -0.118 0.000 0.834 466 K CB 2.640 35.112 32.500 -0.048 0.000 1.365 466 K HN 0.176 nan 8.250 nan 0.000 0.437 467 F N 1.612 121.658 119.950 0.160 0.000 2.434 467 F HA 0.316 4.842 4.527 -0.000 0.000 0.367 467 F C -0.387 175.481 175.800 0.114 0.000 1.093 467 F CA -0.536 57.568 58.000 0.173 0.000 1.085 467 F CB 1.497 40.625 39.000 0.214 0.000 1.322 467 F HN 0.285 nan 8.300 nan 0.000 0.452 468 E N 3.660 123.868 120.200 0.013 0.000 2.235 468 E HA 0.564 4.913 4.350 -0.000 0.000 0.252 468 E C -1.302 175.118 176.600 -0.301 0.000 0.886 468 E CA -0.434 55.932 56.400 -0.057 0.000 0.767 468 E CB 1.701 31.349 29.700 -0.088 0.000 1.205 468 E HN 0.332 nan 8.360 nan 0.000 0.421 469 F N 1.381 121.376 119.950 0.076 0.000 2.643 469 F HA 0.453 4.980 4.527 -0.000 0.000 0.314 469 F C -1.969 173.860 175.800 0.049 0.000 1.096 469 F CA -2.076 55.960 58.000 0.060 0.000 0.953 469 F CB 0.921 39.962 39.000 0.068 0.000 1.345 469 F HN 0.256 nan 8.300 nan 0.000 0.468 470 P HA 0.400 nan 4.420 nan 0.000 0.271 470 P C -1.039 176.343 177.300 0.137 0.000 1.220 470 P CA -0.335 62.855 63.100 0.149 0.000 0.768 470 P CB 0.622 32.393 31.700 0.119 0.000 0.848 471 A N 3.356 126.239 122.820 0.105 0.000 2.354 471 A HA 0.341 4.661 4.320 -0.000 0.000 0.269 471 A C 1.165 178.793 177.584 0.074 0.000 1.109 471 A CA -0.416 51.675 52.037 0.090 0.000 0.800 471 A CB 0.226 19.279 19.000 0.087 0.000 1.045 471 A HN 0.485 nan 8.150 nan 0.000 0.489 472 M N 0.472 120.110 119.600 0.063 0.000 2.476 472 M HA 0.072 4.551 4.480 -0.000 0.000 0.262 472 M C 0.033 176.377 176.300 0.073 0.000 1.111 472 M CA 0.833 56.167 55.300 0.056 0.000 1.127 472 M CB -1.019 31.602 32.600 0.035 0.000 1.376 472 M HN 0.779 nan 8.290 nan 0.000 0.465 473 D N 2.014 122.469 120.400 0.092 0.000 2.462 473 D HA 0.257 4.897 4.640 -0.000 0.000 0.249 473 D C -0.630 175.758 176.300 0.147 0.000 1.117 473 D CA -0.034 54.045 54.000 0.132 0.000 0.900 473 D CB 0.888 41.777 40.800 0.148 0.000 1.039 473 D HN 0.132 nan 8.370 nan 0.000 0.516 474 T N -0.745 113.883 114.554 0.124 0.000 2.932 474 T HA 0.576 4.926 4.350 -0.000 0.000 0.289 474 T C 0.613 175.374 174.700 0.103 0.000 1.039 474 T CA -0.827 61.336 62.100 0.104 0.000 1.024 474 T CB 1.188 70.100 68.868 0.073 0.000 1.090 474 T HN 0.022 nan 8.240 nan 0.000 0.496 475 V N 0.000 119.961 119.914 0.078 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.335 62.300 0.059 0.000 1.235 475 V CB 0.000 31.837 31.823 0.023 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556