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_R 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 -0.422 115.295 115.700 0.028 0.000 3.697 10 S HA 0.037 4.507 4.470 0.000 0.000 0.569 10 S C -0.092 174.532 174.600 0.040 0.000 0.803 10 S CA 0.201 58.426 58.200 0.041 0.000 1.299 10 S CB -1.706 61.521 63.200 0.045 0.000 1.561 10 S HN 2.289 nan 8.310 nan 0.000 0.611 11 V N 2.292 122.235 119.914 0.049 0.000 2.713 11 V HA 0.829 4.949 4.120 0.000 0.000 0.307 11 V C 0.841 176.979 176.094 0.074 0.000 1.052 11 V CA 0.442 62.770 62.300 0.048 0.000 0.967 11 V CB 1.326 33.172 31.823 0.037 0.000 1.019 11 V HN 1.743 nan 8.190 nan 0.000 0.459 12 E N 4.140 124.379 120.200 0.064 0.000 2.467 12 E HA 0.097 4.447 4.350 0.000 0.000 0.264 12 E C -0.378 176.310 176.600 0.146 0.000 1.020 12 E CA 0.012 56.464 56.400 0.087 0.000 0.945 12 E CB 0.063 nan 29.700 nan 0.000 0.942 12 E HN 0.924 nan 8.360 nan 0.000 0.449 13 F N 1.931 121.905 119.950 0.039 0.000 2.504 13 F HA 0.440 4.967 4.527 0.000 0.000 0.369 13 F C 0.247 176.066 175.800 0.031 0.000 1.082 13 F CA -0.571 57.463 58.000 0.057 0.000 1.216 13 F CB 1.186 40.246 39.000 0.100 0.000 1.108 13 F HN 0.318 nan 8.300 nan 0.000 0.554 14 K N 6.072 126.219 120.400 -0.422 0.000 2.507 14 K HA 0.629 4.949 4.320 0.000 0.000 0.253 14 K C -0.995 175.173 176.600 -0.719 0.000 0.969 14 K CA -0.479 55.480 56.287 -0.548 0.000 0.908 14 K CB 0.817 33.189 32.500 -0.214 0.000 1.127 14 K HN 0.706 nan 8.250 nan 0.000 0.437 15 A N 2.682 124.916 122.820 -0.975 0.000 2.477 15 A HA 0.631 4.951 4.320 0.000 0.000 0.246 15 A C 0.506 177.951 177.584 -0.232 0.000 1.078 15 A CA 0.888 52.605 52.037 -0.534 0.000 0.770 15 A CB -0.297 18.499 19.000 -0.340 0.000 1.011 15 A HN 1.071 nan 8.150 nan 0.000 0.494 16 G N -0.780 107.939 108.800 -0.134 0.000 2.351 16 G HA2 0.483 4.443 3.960 0.000 0.000 0.353 16 G HA3 0.483 4.443 3.960 0.000 0.000 0.353 16 G C -0.624 174.217 174.900 -0.098 0.000 1.358 16 G CA -0.119 44.924 45.100 -0.094 0.000 0.995 16 G HN 2.194 nan 8.290 nan 0.000 0.611 17 V N -0.463 119.417 119.914 -0.057 0.000 2.716 17 V HA 0.995 5.115 4.120 0.000 0.000 0.304 17 V C 0.020 176.077 176.094 -0.061 0.000 1.053 17 V CA 0.411 62.672 62.300 -0.064 0.000 0.984 17 V CB 1.414 33.253 31.823 0.027 0.000 1.021 17 V HN 1.474 nan 8.190 nan 0.000 0.467 18 K N 2.017 122.360 120.400 -0.095 0.000 2.522 18 K HA 0.531 4.851 4.320 0.000 0.000 0.275 18 K C -1.484 175.037 176.600 -0.132 0.000 1.006 18 K CA -0.936 55.303 56.287 -0.080 0.000 0.890 18 K CB 1.533 34.002 32.500 -0.052 0.000 1.475 18 K HN 0.519 nan 8.250 nan 0.000 0.441 19 D N 0.817 121.167 120.400 -0.083 0.000 2.399 19 D HA 0.046 4.686 4.640 0.000 0.000 0.241 19 D C 0.653 176.928 176.300 -0.041 0.000 1.133 19 D CA 0.137 54.088 54.000 -0.081 0.000 0.890 19 D CB 0.228 41.023 40.800 -0.008 0.000 1.201 19 D HN 0.433 nan 8.370 nan 0.000 0.432 20 Y N 0.937 121.276 120.300 0.065 0.000 2.274 20 Y HA -0.182 4.368 4.550 0.000 0.000 0.290 20 Y C 2.284 178.308 175.900 0.206 0.000 1.145 20 Y CA 1.156 59.340 58.100 0.140 0.000 1.203 20 Y CB -0.277 38.199 38.460 0.027 0.000 0.984 20 Y HN 0.457 nan 8.280 nan 0.000 0.533 21 K N 0.336 120.893 120.400 0.261 0.000 2.362 21 K HA -0.095 4.225 4.320 0.000 0.000 0.200 21 K C 1.592 178.310 176.600 0.197 0.000 1.046 21 K CA 1.293 57.718 56.287 0.230 0.000 0.952 21 K CB -0.638 31.942 32.500 0.133 0.000 0.753 21 K HN 0.324 nan 8.250 nan 0.000 0.466 22 L N 1.284 122.590 121.223 0.138 0.000 2.127 22 L HA -0.127 4.213 4.340 0.000 0.000 0.211 22 L C 1.740 178.636 176.870 0.044 0.000 1.089 22 L CA 1.503 56.391 54.840 0.081 0.000 0.757 22 L CB -0.476 41.612 42.059 0.049 0.000 0.899 22 L HN 0.330 nan 8.230 nan 0.000 0.434 23 T N -3.130 111.454 114.554 0.049 0.000 3.000 23 T HA 0.050 4.400 4.350 0.000 0.000 0.248 23 T C 0.897 175.404 174.700 -0.322 0.000 1.034 23 T CA 0.333 62.313 62.100 -0.199 0.000 1.060 23 T CB 0.168 68.808 68.868 -0.380 0.000 0.983 23 T HN 0.162 nan 8.240 nan 0.000 0.482 24 Y N -0.345 120.019 120.300 0.107 0.000 2.500 24 Y HA 0.428 4.978 4.550 0.000 0.000 0.246 24 Y C -0.144 175.834 175.900 0.131 0.000 1.146 24 Y CA -1.249 56.903 58.100 0.087 0.000 1.230 24 Y CB 0.564 39.077 38.460 0.088 0.000 1.214 24 Y HN 0.151 nan 8.280 nan 0.000 0.526 25 Y N 0.627 120.990 120.300 0.105 0.000 2.331 25 Y HA 0.564 5.114 4.550 0.000 0.000 0.338 25 Y C -0.257 175.674 175.900 0.053 0.000 0.976 25 Y CA -1.096 57.044 58.100 0.067 0.000 1.137 25 Y CB 1.516 40.004 38.460 0.047 0.000 1.172 25 Y HN -0.149 nan 8.280 nan 0.000 0.478 26 T N 9.479 123.802 114.554 -0.385 0.000 3.686 26 T HA 0.183 4.533 4.350 0.000 0.000 0.248 26 T C -2.190 172.397 174.700 -0.189 0.000 1.090 26 T CA -0.750 61.210 62.100 -0.233 0.000 1.659 26 T CB 0.512 69.327 68.868 -0.088 0.000 0.780 26 T HN 0.506 nan 8.240 nan 0.000 0.632 27 P HA 0.009 nan 4.420 nan 0.000 0.226 27 P C 0.933 178.240 177.300 0.011 0.000 1.153 27 P CA 0.820 63.807 63.100 -0.188 0.000 0.777 27 P CB 0.448 31.974 31.700 -0.290 0.000 0.794 28 E N -1.345 118.852 120.200 -0.005 0.000 2.489 28 E HA -0.033 4.317 4.350 0.000 0.000 0.193 28 E C 0.373 177.012 176.600 0.065 0.000 1.057 28 E CA -0.390 56.027 56.400 0.028 0.000 0.866 28 E CB -0.536 29.164 29.700 0.001 0.000 0.916 28 E HN 0.376 nan 8.360 nan 0.000 0.500 29 Y N 2.494 122.782 120.300 -0.021 0.000 2.511 29 Y HA 0.016 4.566 4.550 0.000 0.000 0.332 29 Y C 0.137 175.984 175.900 -0.090 0.000 1.177 29 Y CA -0.017 58.055 58.100 -0.047 0.000 1.422 29 Y CB 0.475 38.916 38.460 -0.032 0.000 1.271 29 Y HN -0.189 nan 8.280 nan 0.000 0.550 30 E N 3.453 123.249 120.200 -0.673 0.000 2.197 30 E HA 0.201 4.551 4.350 0.000 0.000 0.281 30 E C -0.400 175.581 176.600 -1.032 0.000 0.995 30 E CA -0.707 55.314 56.400 -0.631 0.000 0.808 30 E CB 0.877 30.346 29.700 -0.386 0.000 1.093 30 E HN 0.714 nan 8.360 nan 0.000 0.394 31 T N 0.785 114.949 114.554 -0.650 0.000 2.919 31 T HA 0.294 4.644 4.350 0.000 0.000 0.302 31 T C 0.352 174.863 174.700 -0.314 0.000 1.031 31 T CA -0.654 61.160 62.100 -0.476 0.000 1.127 31 T CB 0.360 69.023 68.868 -0.340 0.000 0.952 31 T HN 0.241 nan 8.240 nan 0.000 0.540 32 L N 2.289 123.412 121.223 -0.167 0.000 2.418 32 L HA 0.300 4.640 4.340 0.000 0.000 0.265 32 L C 1.061 177.899 176.870 -0.053 0.000 1.143 32 L CA -0.872 53.914 54.840 -0.090 0.000 0.809 32 L CB 0.444 42.494 42.059 -0.015 0.000 1.124 32 L HN 0.668 nan 8.230 nan 0.000 0.456 33 D N -0.317 120.056 120.400 -0.045 0.000 2.371 33 D HA -0.086 4.554 4.640 0.000 0.000 0.221 33 D C 1.751 178.044 176.300 -0.012 0.000 0.986 33 D CA 1.020 55.001 54.000 -0.030 0.000 0.899 33 D CB 0.123 40.908 40.800 -0.025 0.000 0.902 33 D HN 0.715 nan 8.370 nan 0.000 0.530 34 T N -2.619 111.939 114.554 0.007 0.000 3.107 34 T HA 0.033 4.383 4.350 0.000 0.000 0.249 34 T C 0.526 175.251 174.700 0.043 0.000 1.096 34 T CA -0.464 61.655 62.100 0.031 0.000 1.012 34 T CB 0.341 69.237 68.868 0.047 0.000 0.977 34 T HN -0.225 nan 8.240 nan 0.000 0.527 35 D N 1.711 122.137 120.400 0.043 0.000 2.382 35 D HA 0.341 4.981 4.640 0.000 0.000 0.245 35 D C -0.147 176.169 176.300 0.028 0.000 1.120 35 D CA -0.510 53.541 54.000 0.084 0.000 0.890 35 D CB 0.757 41.620 40.800 0.104 0.000 1.201 35 D HN 0.153 nan 8.370 nan 0.000 0.433 36 I N 1.969 122.588 120.570 0.082 0.000 2.395 36 I HA 0.136 4.306 4.170 0.000 0.000 0.289 36 I C 0.145 176.333 176.117 0.118 0.000 1.023 36 I CA -0.160 61.119 61.300 -0.035 0.000 1.350 36 I CB 0.466 38.306 38.000 -0.268 0.000 1.409 36 I HN 0.065 nan 8.210 nan 0.000 0.507 37 L N 6.031 127.203 121.223 -0.085 0.000 2.307 37 L HA 0.805 5.146 4.340 0.000 0.000 0.284 37 L C 0.003 176.825 176.870 -0.079 0.000 1.023 37 L CA -0.777 54.025 54.840 -0.063 0.000 0.810 37 L CB 1.480 43.308 42.059 -0.385 0.000 1.231 37 L HN 0.675 nan 8.230 nan 0.000 0.423 38 A N 2.529 125.496 122.820 0.245 0.000 2.318 38 A HA 0.804 5.124 4.320 0.000 0.000 0.317 38 A C -0.201 177.502 177.584 0.199 0.000 1.159 38 A CA -0.524 51.598 52.037 0.142 0.000 0.799 38 A CB 1.414 20.426 19.000 0.021 0.000 1.194 38 A HN 0.757 nan 8.150 nan 0.000 0.479 39 A N 2.473 125.341 122.820 0.080 0.000 2.316 39 A HA 0.654 4.975 4.320 0.000 0.000 0.311 39 A C -0.972 176.338 177.584 -0.457 0.000 1.339 39 A CA -0.180 51.639 52.037 -0.363 0.000 0.960 39 A CB -0.550 18.066 19.000 -0.640 0.000 1.152 39 A HN 0.602 nan 8.150 nan 0.000 0.547 40 F N 1.605 121.401 119.950 -0.257 0.000 2.404 40 F HA 0.399 4.926 4.527 0.000 0.000 0.354 40 F C 1.016 176.695 175.800 -0.202 0.000 1.122 40 F CA -0.395 57.486 58.000 -0.198 0.000 1.080 40 F CB 1.503 40.409 39.000 -0.156 0.000 1.131 40 F HN 0.599 nan 8.300 nan 0.000 0.471 41 R N 3.794 124.303 120.500 0.014 0.000 2.309 41 R HA 0.406 4.746 4.340 0.000 0.000 0.331 41 R C -1.413 174.895 176.300 0.013 0.000 1.116 41 R CA -0.111 55.995 56.100 0.011 0.000 0.970 41 R CB 0.087 30.391 30.300 0.006 0.000 1.024 41 R HN 0.505 nan 8.270 nan 0.000 0.472 42 V N 3.552 123.480 119.914 0.023 0.000 2.427 42 V HA 0.249 4.369 4.120 0.000 0.000 0.286 42 V C -0.185 175.932 176.094 0.039 0.000 1.034 42 V CA -0.514 61.783 62.300 -0.005 0.000 0.893 42 V CB 1.895 33.708 31.823 -0.018 0.000 0.982 42 V HN 0.711 nan 8.190 nan 0.000 0.452 43 S N 6.677 122.386 115.700 0.016 0.000 2.577 43 S HA 0.453 4.923 4.470 0.000 0.000 0.294 43 S C -2.593 172.023 174.600 0.026 0.000 1.161 43 S CA -1.026 57.190 58.200 0.028 0.000 1.143 43 S CB 1.228 64.441 63.200 0.022 0.000 0.991 43 S HN 0.578 nan 8.310 nan 0.000 0.475 44 P HA 0.146 nan 4.420 nan 0.000 0.272 44 P C -0.210 177.098 177.300 0.012 0.000 1.230 44 P CA -0.532 62.576 63.100 0.013 0.000 0.788 44 P CB 0.480 32.193 31.700 0.021 0.000 0.949 45 Q N 1.373 121.170 119.800 -0.005 0.000 2.417 45 Q HA 0.200 4.540 4.340 0.000 0.000 0.241 45 Q C -2.024 173.976 176.000 -0.001 0.000 1.008 45 Q CA -1.506 54.296 55.803 -0.002 0.000 0.901 45 Q CB -0.802 27.930 28.738 -0.009 0.000 1.259 45 Q HN 0.321 nan 8.270 nan 0.000 0.489 46 P HA -0.014 nan 4.420 nan 0.000 0.262 46 P C 0.468 177.766 177.300 -0.004 0.000 1.182 46 P CA 1.087 64.189 63.100 0.003 0.000 0.761 46 P CB 0.238 31.939 31.700 0.002 0.000 0.795 47 G N 1.462 110.261 108.800 -0.003 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 -0.067 174.820 174.900 -0.023 0.000 0.982 47 G CA -0.194 44.900 45.100 -0.011 0.000 0.641 47 G HN 0.520 nan 8.290 nan 0.000 0.527 48 V N 3.194 123.091 119.914 -0.028 0.000 2.333 48 V HA 0.472 4.592 4.120 0.000 0.000 0.274 48 V C -1.437 174.618 176.094 -0.065 0.000 1.028 48 V CA -1.576 60.692 62.300 -0.052 0.000 0.851 48 V CB 1.391 33.174 31.823 -0.067 0.000 1.000 48 V HN 0.211 nan 8.190 nan 0.000 0.456 49 P HA 0.184 nan 4.420 nan 0.000 0.269 49 P C -2.061 175.103 177.300 -0.227 0.000 1.209 49 P CA -1.526 61.493 63.100 -0.135 0.000 0.776 49 P CB 0.322 31.946 31.700 -0.127 0.000 0.876 50 P HA -0.180 nan 4.420 nan 0.000 0.218 50 P C 1.036 178.039 177.300 -0.495 0.000 1.148 50 P CA 1.559 64.314 63.100 -0.573 0.000 0.822 50 P CB 0.117 31.077 31.700 -1.233 0.000 0.784 51 E N 0.033 119.924 120.200 -0.516 0.000 2.077 51 E HA -0.193 4.158 4.350 0.000 0.000 0.193 51 E C 2.096 178.456 176.600 -0.401 0.000 0.989 51 E CA 1.180 57.167 56.400 -0.688 0.000 0.800 51 E CB -0.759 28.467 29.700 -0.790 0.000 0.746 51 E HN 0.280 nan 8.360 nan 0.000 0.452 52 E N 0.328 120.379 120.200 -0.249 0.000 2.152 52 E HA -0.013 4.337 4.350 0.000 0.000 0.192 52 E C 1.806 178.311 176.600 -0.158 0.000 0.983 52 E CA 1.083 57.409 56.400 -0.123 0.000 0.818 52 E CB -0.228 29.428 29.700 -0.073 0.000 0.758 52 E HN 0.221 nan 8.360 nan 0.000 0.467 53 A N 0.195 122.887 122.820 -0.212 0.000 1.873 53 A HA -0.022 4.298 4.320 0.000 0.000 0.215 53 A C 2.451 179.884 177.584 -0.252 0.000 1.186 53 A CA 1.688 53.585 52.037 -0.234 0.000 0.616 53 A CB -1.327 17.557 19.000 -0.193 0.000 0.823 53 A HN 0.403 nan 8.150 nan 0.000 0.442 54 G N -0.496 108.161 108.800 -0.237 0.000 2.418 54 G HA2 -0.005 3.955 3.960 0.000 0.000 0.217 54 G HA3 -0.005 3.955 3.960 0.000 0.000 0.217 54 G C 1.746 176.563 174.900 -0.139 0.000 1.158 54 G CA 1.516 46.503 45.100 -0.188 0.000 0.771 54 G HN 0.797 nan 8.290 nan 0.000 0.545 55 A N 1.151 123.912 122.820 -0.098 0.000 1.902 55 A HA 0.285 4.605 4.320 0.000 0.000 0.217 55 A C 2.828 180.282 177.584 -0.216 0.000 1.181 55 A CA 2.238 54.280 52.037 0.009 0.000 0.623 55 A CB -0.810 18.272 19.000 0.137 0.000 0.818 55 A HN 0.778 nan 8.150 nan 0.000 0.443 56 A N -0.448 122.129 122.820 -0.404 0.000 1.877 56 A HA -0.037 4.283 4.320 0.000 0.000 0.216 56 A C 2.241 179.538 177.584 -0.478 0.000 1.186 56 A CA 1.912 53.434 52.037 -0.858 0.000 0.620 56 A CB -1.071 17.409 19.000 -0.866 0.000 0.822 56 A HN 0.418 nan 8.150 nan 0.000 0.443 57 V N -0.092 119.628 119.914 -0.324 0.000 2.287 57 V HA -0.275 3.845 4.120 0.000 0.000 0.248 57 V C 3.062 179.025 176.094 -0.217 0.000 1.053 57 V CA 2.092 64.220 62.300 -0.287 0.000 1.027 57 V CB -1.326 30.180 31.823 -0.528 0.000 0.646 57 V HN 0.632 nan 8.190 nan 0.000 0.447 58 A N -0.101 122.609 122.820 -0.183 0.000 1.902 58 A HA -0.098 4.223 4.320 0.000 0.000 0.217 58 A C 2.430 179.920 177.584 -0.157 0.000 1.181 58 A CA 2.081 54.064 52.037 -0.090 0.000 0.623 58 A CB -0.794 18.199 19.000 -0.012 0.000 0.818 58 A HN 0.577 nan 8.150 nan 0.000 0.443 59 A N -0.372 122.153 122.820 -0.491 0.000 1.902 59 A HA -0.149 4.171 4.320 0.000 0.000 0.217 59 A C 1.965 179.315 177.584 -0.389 0.000 1.181 59 A CA 2.140 53.605 52.037 -0.955 0.000 0.623 59 A CB -0.366 17.843 19.000 -1.319 0.000 0.818 59 A HN 0.518 nan 8.150 nan 0.000 0.443 60 E N 0.220 120.272 120.200 -0.248 0.000 2.474 60 E HA 0.001 4.351 4.350 0.000 0.000 0.194 60 E C 1.385 177.958 176.600 -0.044 0.000 1.041 60 E CA 0.919 57.256 56.400 -0.105 0.000 0.874 60 E CB -0.169 29.488 29.700 -0.071 0.000 0.914 60 E HN 0.563 nan 8.360 nan 0.000 0.498 61 S N -1.295 114.421 115.700 0.027 0.000 2.582 61 S HA 0.201 4.671 4.470 0.000 0.000 0.234 61 S C 1.075 175.799 174.600 0.207 0.000 0.961 61 S CA 0.248 58.534 58.200 0.144 0.000 0.953 61 S CB 0.097 63.471 63.200 0.289 0.000 0.800 61 S HN 0.216 nan 8.310 nan 0.000 0.471 62 S N 0.942 116.716 115.700 0.124 0.000 4.736 62 S HA 0.136 4.606 4.470 0.000 0.000 0.170 62 S C 1.231 175.876 174.600 0.075 0.000 1.074 62 S CA 0.568 58.855 58.200 0.145 0.000 1.250 62 S CB -0.180 63.175 63.200 0.258 0.000 1.772 62 S HN 0.590 nan 8.310 nan 0.000 0.633 63 T N -1.073 113.539 114.554 0.097 0.000 3.028 63 T HA 0.472 4.822 4.350 0.000 0.000 0.262 63 T C 0.771 175.533 174.700 0.103 0.000 0.916 63 T CA 0.428 62.591 62.100 0.105 0.000 0.873 63 T CB 0.190 69.172 68.868 0.191 0.000 1.232 63 T HN 0.775 nan 8.240 nan 0.000 0.529 64 G N 0.429 109.257 108.800 0.046 0.000 2.412 64 G HA2 0.560 4.520 3.960 0.000 0.000 0.318 64 G HA3 0.560 4.520 3.960 0.000 0.000 0.318 64 G C -0.717 174.239 174.900 0.094 0.000 1.146 64 G CA -0.203 44.940 45.100 0.072 0.000 0.882 64 G HN 0.248 nan 8.290 nan 0.000 0.501 65 T N -0.543 114.093 114.554 0.136 0.000 2.678 65 T HA 0.434 4.785 4.350 0.000 0.000 0.260 65 T C 0.821 175.670 174.700 0.248 0.000 0.932 65 T CA -0.475 61.748 62.100 0.205 0.000 1.043 65 T CB 0.700 69.648 68.868 0.133 0.000 1.413 65 T HN 0.663 nan 8.240 nan 0.000 0.568 66 W N 0.534 121.935 121.300 0.168 0.000 2.770 66 W HA 0.304 4.964 4.660 0.000 0.000 0.256 66 W C 0.428 176.941 176.519 -0.011 0.000 1.291 66 W CA 0.348 57.759 57.345 0.109 0.000 1.396 66 W CB -1.083 28.458 29.460 0.135 0.000 1.114 66 W HN 0.525 nan 8.180 nan 0.000 0.637 67 T N 0.860 114.938 114.554 -0.793 0.000 2.887 67 T HA 0.388 4.738 4.350 0.000 0.000 0.292 67 T C -0.465 174.014 174.700 -0.369 0.000 1.087 67 T CA -0.273 61.408 62.100 -0.699 0.000 1.009 67 T CB 1.935 70.026 68.868 -1.294 0.000 1.203 67 T HN -0.224 nan 8.240 nan 0.000 0.518 68 T N 2.287 116.734 114.554 -0.178 0.000 2.832 68 T HA 0.497 4.847 4.350 0.000 0.000 0.296 68 T C -0.000 174.774 174.700 0.125 0.000 0.968 68 T CA -0.422 61.685 62.100 0.012 0.000 1.107 68 T CB 0.331 69.249 68.868 0.083 0.000 0.916 68 T HN 0.666 nan 8.240 nan 0.000 0.517 69 V N 3.466 123.409 119.914 0.048 0.000 2.513 69 V HA 0.463 4.584 4.120 0.000 0.000 0.299 69 V C 1.217 177.156 176.094 -0.258 0.000 1.035 69 V CA -1.123 61.121 62.300 -0.094 0.000 0.889 69 V CB 1.201 32.893 31.823 -0.218 0.000 0.988 69 V HN 1.047 nan 8.190 nan 0.000 0.440 70 W N 3.101 123.947 121.300 -0.758 0.000 2.392 70 W HA -0.128 4.532 4.660 0.000 0.000 0.279 70 W C 1.479 177.762 176.519 -0.394 0.000 1.225 70 W CA 1.659 58.409 57.345 -0.992 0.000 1.233 70 W CB -1.729 26.875 29.460 -1.426 0.000 1.122 70 W HN 0.770 nan 8.180 nan 0.000 0.561 71 T N -1.298 112.546 114.554 -1.183 0.000 3.025 71 T HA -0.203 4.147 4.350 0.000 0.000 0.270 71 T C 1.109 175.569 174.700 -0.399 0.000 1.126 71 T CA 1.533 63.045 62.100 -0.979 0.000 1.105 71 T CB -0.574 67.674 68.868 -1.032 0.000 0.884 71 T HN -0.056 nan 8.240 nan 0.000 0.522 72 D N 2.062 122.314 120.400 -0.247 0.000 2.182 72 D HA -0.028 4.612 4.640 0.000 0.000 0.201 72 D C 2.271 178.548 176.300 -0.039 0.000 0.986 72 D CA 1.354 55.296 54.000 -0.097 0.000 0.847 72 D CB -0.818 39.965 40.800 -0.028 0.000 0.942 72 D HN 0.623 nan 8.370 nan 0.000 0.467 73 G N -0.023 108.769 108.800 -0.013 0.000 2.679 73 G HA2 -0.068 3.892 3.960 0.000 0.000 0.212 73 G HA3 -0.068 3.892 3.960 0.000 0.000 0.212 73 G C 1.549 176.472 174.900 0.038 0.000 1.137 73 G CA -0.061 45.063 45.100 0.040 0.000 0.787 73 G HN 0.264 nan 8.290 nan 0.000 0.534 74 L N 0.631 121.853 121.223 -0.001 0.000 2.418 74 L HA 0.139 4.479 4.340 0.000 0.000 0.218 74 L C 1.358 178.235 176.870 0.012 0.000 1.125 74 L CA 0.530 55.375 54.840 0.008 0.000 0.835 74 L CB -0.329 41.712 42.059 -0.032 0.000 0.953 74 L HN 0.150 nan 8.230 nan 0.000 0.454 75 T N -2.738 111.824 114.554 0.014 0.000 2.768 75 T HA 0.232 4.582 4.350 0.000 0.000 0.268 75 T C -0.297 174.454 174.700 0.085 0.000 0.969 75 T CA -0.637 61.503 62.100 0.068 0.000 1.008 75 T CB 1.285 70.213 68.868 0.101 0.000 1.371 75 T HN -0.176 nan 8.240 nan 0.000 0.587 76 N N 1.019 119.803 118.700 0.140 0.000 2.707 76 N HA 0.204 4.944 4.740 0.000 0.000 0.235 76 N C 0.444 176.012 175.510 0.096 0.000 1.028 76 N CA -0.590 52.502 53.050 0.069 0.000 0.906 76 N CB 0.547 39.029 38.487 -0.009 0.000 1.131 76 N HN 0.522 nan 8.380 nan 0.000 0.509 77 L N 2.617 123.885 121.223 0.074 0.000 2.079 77 L HA -0.076 4.264 4.340 0.000 0.000 0.210 77 L C 1.181 178.057 176.870 0.011 0.000 1.081 77 L CA 1.819 56.702 54.840 0.073 0.000 0.752 77 L CB -0.112 41.959 42.059 0.021 0.000 0.896 77 L HN 0.421 nan 8.230 nan 0.000 0.433 78 D N -0.724 119.650 120.400 -0.043 0.000 2.219 78 D HA -0.165 4.475 4.640 0.000 0.000 0.205 78 D C 2.191 178.430 176.300 -0.102 0.000 0.970 78 D CA 1.120 55.072 54.000 -0.080 0.000 0.851 78 D CB -0.117 40.642 40.800 -0.070 0.000 0.943 78 D HN 0.527 nan 8.370 nan 0.000 0.488 79 R N -0.561 119.840 120.500 -0.164 0.000 2.240 79 R HA -0.058 4.282 4.340 0.000 0.000 0.203 79 R C 1.077 177.170 176.300 -0.344 0.000 1.011 79 R CA 0.809 56.735 56.100 -0.290 0.000 1.007 79 R CB -0.258 29.793 30.300 -0.415 0.000 0.911 79 R HN 0.192 nan 8.270 nan 0.000 0.468 80 Y N 2.052 122.343 120.300 -0.014 0.000 2.524 80 Y HA 0.162 4.712 4.550 0.000 0.000 0.270 80 Y C 0.389 176.295 175.900 0.011 0.000 1.094 80 Y CA -0.332 57.764 58.100 -0.006 0.000 1.276 80 Y CB 0.175 38.628 38.460 -0.011 0.000 1.130 80 Y HN -0.005 nan 8.280 nan 0.000 0.536 81 K N 1.503 121.987 120.400 0.140 0.000 2.524 81 K HA 0.183 4.503 4.320 0.000 0.000 0.279 81 K C 0.557 177.212 176.600 0.092 0.000 0.993 81 K CA 0.407 56.781 56.287 0.145 0.000 1.030 81 K CB 0.419 32.921 32.500 0.003 0.000 0.891 81 K HN 0.171 nan 8.250 nan 0.000 0.488 82 G N 2.451 111.345 108.800 0.157 0.000 2.539 82 G HA2 0.305 4.265 3.960 0.000 0.000 0.258 82 G HA3 0.305 4.265 3.960 0.000 0.000 0.258 82 G C -0.704 174.192 174.900 -0.007 0.000 1.202 82 G CA -1.012 44.067 45.100 -0.036 0.000 0.851 82 G HN 0.831 nan 8.290 nan 0.000 0.556 83 R N -0.255 120.168 120.500 -0.129 0.000 2.548 83 R HA 0.385 4.725 4.340 0.000 0.000 0.280 83 R C -1.531 174.814 176.300 0.075 0.000 1.061 83 R CA -0.757 55.327 56.100 -0.026 0.000 0.915 83 R CB 0.572 30.751 30.300 -0.201 0.000 1.210 83 R HN 0.507 nan 8.270 nan 0.000 0.442 84 C N 5.157 124.544 119.300 0.146 0.000 2.464 84 C HA 0.337 4.797 4.460 0.000 0.000 0.370 84 C C 0.726 175.868 174.990 0.252 0.000 1.267 84 C CA -0.356 58.776 59.018 0.189 0.000 1.781 84 C CB -1.490 26.377 27.740 0.211 0.000 2.431 84 C HN 0.938 nan 8.230 nan 0.000 0.556 85 Y N 2.798 123.240 120.300 0.238 0.000 2.426 85 Y HA 0.487 5.037 4.550 0.000 0.000 0.249 85 Y C 0.650 176.734 175.900 0.307 0.000 1.103 85 Y CA -0.250 57.976 58.100 0.209 0.000 1.256 85 Y CB -0.342 38.279 38.460 0.268 0.000 1.208 85 Y HN 0.780 nan 8.280 nan 0.000 0.519 86 H N 0.388 119.384 119.070 -0.124 0.000 3.086 86 H HA 0.545 5.101 4.556 0.000 0.000 0.353 86 H C -2.012 173.412 175.328 0.161 0.000 1.134 86 H CA -0.885 55.176 56.048 0.022 0.000 1.248 86 H CB 2.135 31.822 29.762 -0.126 0.000 1.878 86 H HN 0.127 nan 8.280 nan 0.000 0.527 87 I N 4.000 124.319 120.570 -0.419 0.000 2.447 87 I HA 0.179 4.349 4.170 0.000 0.000 0.287 87 I C -0.560 175.361 176.117 -0.327 0.000 1.023 87 I CA -0.410 60.744 61.300 -0.243 0.000 1.083 87 I CB 2.125 40.018 38.000 -0.178 0.000 1.245 87 I HN 0.496 nan 8.210 nan 0.000 0.434 88 E N 9.179 129.346 120.200 -0.054 0.000 2.199 88 E HA 0.508 4.858 4.350 0.000 0.000 0.265 88 E C -2.731 173.980 176.600 0.185 0.000 0.882 88 E CA -2.082 54.363 56.400 0.076 0.000 0.759 88 E CB 2.464 32.294 29.700 0.216 0.000 1.148 88 E HN 0.162 nan 8.360 nan 0.000 0.412 89 P HA 0.059 nan 4.420 nan 0.000 0.275 89 P C -0.406 176.902 177.300 0.014 0.000 1.227 89 P CA -0.400 62.772 63.100 0.121 0.000 0.781 89 P CB 1.116 32.879 31.700 0.105 0.000 0.906 90 V N 2.685 122.544 119.914 -0.092 0.000 2.432 90 V HA 0.325 4.445 4.120 0.000 0.000 0.275 90 V C 0.928 176.989 176.094 -0.056 0.000 1.043 90 V CA -0.641 61.628 62.300 -0.053 0.000 0.925 90 V CB 0.593 32.377 31.823 -0.066 0.000 0.985 90 V HN 0.682 nan 8.190 nan 0.000 0.466 91 A N 4.159 126.967 122.820 -0.021 0.000 2.492 91 A HA 0.540 4.860 4.320 0.000 0.000 0.254 91 A C 1.391 178.962 177.584 -0.022 0.000 1.091 91 A CA 0.580 52.607 52.037 -0.017 0.000 0.768 91 A CB -0.400 18.598 19.000 -0.004 0.000 1.028 91 A HN 2.116 nan 8.150 nan 0.000 0.498 92 G N 1.448 110.232 108.800 -0.026 0.000 2.141 92 G HA2 -0.136 3.824 3.960 0.000 0.000 0.231 92 G HA3 -0.136 3.824 3.960 0.000 0.000 0.231 92 G C -0.214 174.666 174.900 -0.033 0.000 0.984 92 G CA 0.274 45.361 45.100 -0.022 0.000 0.660 92 G HN 0.769 nan 8.290 nan 0.000 0.525 93 E N 1.046 121.210 120.200 -0.059 0.000 2.246 93 E HA 0.329 4.679 4.350 0.000 0.000 0.266 93 E C -0.100 176.431 176.600 -0.115 0.000 0.880 93 E CA -0.683 55.668 56.400 -0.081 0.000 0.762 93 E CB 1.470 31.111 29.700 -0.098 0.000 1.180 93 E HN 0.531 nan 8.360 nan 0.000 0.416 94 E N 2.817 122.963 120.200 -0.090 0.000 2.299 94 E HA 0.038 4.388 4.350 0.000 0.000 0.272 94 E C 0.113 176.632 176.600 -0.134 0.000 1.043 94 E CA -0.383 55.962 56.400 -0.091 0.000 0.895 94 E CB 0.308 29.979 29.700 -0.048 0.000 1.011 94 E HN 0.421 nan 8.360 nan 0.000 0.432 95 N N 1.615 120.201 118.700 -0.191 0.000 2.740 95 N HA -0.250 4.490 4.740 0.000 0.000 0.248 95 N C -1.242 174.095 175.510 -0.289 0.000 1.062 95 N CA 1.259 54.196 53.050 -0.188 0.000 0.704 95 N CB -0.826 37.644 38.487 -0.027 0.000 0.968 95 N HN 0.777 nan 8.380 nan 0.000 0.547 96 Q N 0.535 120.009 119.800 -0.543 0.000 2.285 96 Q HA 0.491 4.832 4.340 0.000 0.000 0.269 96 Q C -1.519 174.111 176.000 -0.615 0.000 1.030 96 Q CA -0.685 54.875 55.803 -0.404 0.000 0.788 96 Q CB 1.046 29.677 28.738 -0.179 0.000 1.266 96 Q HN 0.263 nan 8.270 nan 0.000 0.438 97 Y N 2.222 122.507 120.300 -0.026 0.000 2.512 97 Y HA 0.459 5.009 4.550 0.000 0.000 0.348 97 Y C -0.193 175.688 175.900 -0.032 0.000 0.990 97 Y CA -1.251 56.832 58.100 -0.029 0.000 1.033 97 Y CB 1.462 39.890 38.460 -0.054 0.000 1.259 97 Y HN 0.471 nan 8.280 nan 0.000 0.461 98 I N 2.691 123.340 120.570 0.131 0.000 2.322 98 I HA 0.141 4.311 4.170 0.000 0.000 0.292 98 I C -0.396 175.712 176.117 -0.016 0.000 1.060 98 I CA -0.628 60.681 61.300 0.015 0.000 1.309 98 I CB -0.392 37.615 38.000 0.012 0.000 1.415 98 I HN 0.581 nan 8.210 nan 0.000 0.492 99 C N 7.348 126.616 119.300 -0.053 0.000 2.295 99 C HA 0.463 4.923 4.460 0.000 0.000 0.331 99 C C 0.045 174.995 174.990 -0.068 0.000 1.280 99 C CA -0.750 58.258 59.018 -0.017 0.000 1.746 99 C CB -0.203 27.533 27.740 -0.007 0.000 2.328 99 C HN 0.506 nan 8.230 nan 0.000 0.521 100 Y N 1.770 122.052 120.300 -0.029 0.000 2.326 100 Y HA 0.562 5.112 4.550 0.000 0.000 0.337 100 Y C 0.336 176.127 175.900 -0.181 0.000 1.023 100 Y CA -0.299 57.737 58.100 -0.107 0.000 1.143 100 Y CB 0.852 39.082 38.460 -0.383 0.000 1.183 100 Y HN 0.410 nan 8.280 nan 0.000 0.485 101 V N 2.883 122.960 119.914 0.271 0.000 2.656 101 V HA 0.818 4.938 4.120 0.000 0.000 0.307 101 V C -0.498 175.754 176.094 0.263 0.000 1.051 101 V CA -1.066 61.363 62.300 0.214 0.000 0.893 101 V CB 1.759 33.664 31.823 0.137 0.000 0.999 101 V HN 0.844 nan 8.190 nan 0.000 0.426 102 A N 4.064 126.973 122.820 0.149 0.000 2.318 102 A HA 0.891 5.211 4.320 0.000 0.000 0.324 102 A C -1.553 175.930 177.584 -0.168 0.000 1.170 102 A CA -0.408 51.690 52.037 0.101 0.000 0.810 102 A CB 0.802 19.887 19.000 0.141 0.000 1.198 102 A HN 0.750 nan 8.150 nan 0.000 0.484 103 Y N 2.020 122.442 120.300 0.204 0.000 2.350 103 Y HA 0.449 4.999 4.550 0.000 0.000 0.338 103 Y C -2.388 173.643 175.900 0.218 0.000 0.961 103 Y CA -2.463 55.768 58.100 0.219 0.000 1.100 103 Y CB 1.733 40.424 38.460 0.385 0.000 1.179 103 Y HN 0.481 nan 8.280 nan 0.000 0.454 104 P HA -0.055 nan 4.420 nan 0.000 0.267 104 P C 0.787 178.241 177.300 0.257 0.000 1.200 104 P CA -0.139 63.079 63.100 0.197 0.000 0.772 104 P CB 0.907 32.679 31.700 0.119 0.000 0.855 105 L N 2.935 124.285 121.223 0.211 0.000 2.081 105 L HA -0.219 4.122 4.340 0.000 0.000 0.212 105 L C 1.260 178.259 176.870 0.215 0.000 1.080 105 L CA 2.113 57.086 54.840 0.221 0.000 0.754 105 L CB -1.068 41.076 42.059 0.143 0.000 0.893 105 L HN 0.287 nan 8.230 nan 0.000 0.433 106 D N -1.108 119.384 120.400 0.153 0.000 2.371 106 D HA -0.060 4.580 4.640 0.000 0.000 0.221 106 D C 2.175 178.497 176.300 0.037 0.000 0.986 106 D CA 0.639 54.722 54.000 0.138 0.000 0.899 106 D CB -0.014 40.922 40.800 0.227 0.000 0.902 106 D HN 0.385 nan 8.370 nan 0.000 0.530 107 L N -0.772 120.373 121.223 -0.131 0.000 2.313 107 L HA 0.026 4.366 4.340 0.000 0.000 0.214 107 L C 0.204 176.705 176.870 -0.616 0.000 1.119 107 L CA 0.411 54.985 54.840 -0.443 0.000 0.809 107 L CB -0.068 41.564 42.059 -0.712 0.000 0.933 107 L HN -0.100 nan 8.230 nan 0.000 0.449 108 F N -0.288 119.631 119.950 -0.052 0.000 2.450 108 F HA 0.297 4.824 4.527 0.000 0.000 0.332 108 F C 0.619 176.454 175.800 0.059 0.000 1.093 108 F CA -1.193 56.766 58.000 -0.069 0.000 1.003 108 F CB 0.968 39.748 39.000 -0.367 0.000 1.151 108 F HN -0.183 nan 8.300 nan 0.000 0.474 109 E N 1.832 122.197 120.200 0.275 0.000 2.259 109 E HA 0.156 4.506 4.350 0.000 0.000 0.281 109 E C -0.786 175.960 176.600 0.243 0.000 1.037 109 E CA -0.611 55.903 56.400 0.190 0.000 0.854 109 E CB 0.564 30.323 29.700 0.099 0.000 1.051 109 E HN 0.499 nan 8.360 nan 0.000 0.409 110 E N 2.542 122.820 120.200 0.130 0.000 2.502 110 E HA 0.146 4.496 4.350 0.000 0.000 0.261 110 E C 0.980 177.361 176.600 -0.366 0.000 0.974 110 E CA 1.453 57.814 56.400 -0.064 0.000 0.936 110 E CB 0.479 30.138 29.700 -0.069 0.000 0.926 110 E HN 0.819 nan 8.360 nan 0.000 0.459 111 G N 2.398 110.602 108.800 -0.994 0.000 2.168 111 G HA2 -0.338 3.622 3.960 0.000 0.000 0.263 111 G HA3 -0.338 3.622 3.960 0.000 0.000 0.263 111 G C 0.423 174.896 174.900 -0.712 0.000 0.977 111 G CA 0.530 44.880 45.100 -1.250 0.000 0.659 111 G HN 0.529 nan 8.290 nan 0.000 0.533 112 S N -0.191 115.317 115.700 -0.320 0.000 2.505 112 S HA 0.519 4.989 4.470 0.000 0.000 0.280 112 S C 1.629 176.308 174.600 0.131 0.000 1.197 112 S CA 0.119 58.317 58.200 -0.003 0.000 1.138 112 S CB 1.014 64.236 63.200 0.037 0.000 1.010 112 S HN 0.540 nan 8.310 nan 0.000 0.480 113 V N 4.615 124.584 119.914 0.092 0.000 2.324 113 V HA -0.184 3.936 4.120 0.000 0.000 0.250 113 V C 2.599 178.445 176.094 -0.413 0.000 1.060 113 V CA 2.597 64.695 62.300 -0.337 0.000 1.042 113 V CB -1.137 30.175 31.823 -0.851 0.000 0.650 113 V HN 0.816 nan 8.190 nan 0.000 0.450 114 T N 0.101 114.546 114.554 -0.182 0.000 2.653 114 T HA -0.302 4.048 4.350 0.000 0.000 0.268 114 T C 1.905 176.633 174.700 0.047 0.000 1.035 114 T CA 2.091 64.184 62.100 -0.012 0.000 1.154 114 T CB -0.530 68.384 68.868 0.076 0.000 0.862 114 T HN 0.608 nan 8.240 nan 0.000 0.441 115 N N 0.364 119.108 118.700 0.072 0.000 2.216 115 N HA -0.045 4.695 4.740 0.000 0.000 0.183 115 N C 2.070 177.695 175.510 0.192 0.000 1.017 115 N CA 1.010 54.135 53.050 0.124 0.000 0.861 115 N CB -0.204 38.367 38.487 0.139 0.000 0.986 115 N HN 0.429 nan 8.380 nan 0.000 0.428 116 M N -0.187 119.531 119.600 0.196 0.000 2.077 116 M HA -0.141 4.339 4.480 0.000 0.000 0.261 116 M C 1.450 177.897 176.300 0.245 0.000 1.070 116 M CA 1.415 56.845 55.300 0.217 0.000 1.125 116 M CB -0.174 32.430 32.600 0.006 0.000 1.339 116 M HN -0.021 nan 8.290 nan 0.000 0.409 117 F N 0.715 120.656 119.950 -0.015 0.000 2.161 117 F HA -0.180 4.347 4.527 0.000 0.000 0.300 117 F C 2.582 178.394 175.800 0.019 0.000 1.089 117 F CA 1.656 59.644 58.000 -0.019 0.000 1.282 117 F CB -1.886 37.086 39.000 -0.048 0.000 1.010 117 F HN 0.228 nan 8.300 nan 0.000 0.485 118 T N -1.014 113.669 114.554 0.215 0.000 2.746 118 T HA -0.147 4.203 4.350 0.000 0.000 0.267 118 T C 2.393 177.149 174.700 0.093 0.000 1.039 118 T CA 1.598 63.774 62.100 0.127 0.000 1.142 118 T CB -0.356 68.567 68.868 0.092 0.000 0.866 118 T HN 0.149 nan 8.240 nan 0.000 0.444 119 S N 0.854 116.609 115.700 0.091 0.000 2.338 119 S HA 0.066 4.536 4.470 0.000 0.000 0.218 119 S C 2.008 176.647 174.600 0.064 0.000 1.032 119 S CA 0.908 59.129 58.200 0.035 0.000 0.999 119 S CB -0.311 62.854 63.200 -0.058 0.000 0.905 119 S HN 0.403 nan 8.310 nan 0.000 0.439 120 I N 0.314 120.932 120.570 0.079 0.000 2.617 120 I HA 0.016 4.186 4.170 0.000 0.000 0.256 120 I C 1.124 177.435 176.117 0.323 0.000 1.167 120 I CA 0.779 62.156 61.300 0.128 0.000 1.469 120 I CB 0.202 38.214 38.000 0.019 0.000 1.098 120 I HN 0.111 nan 8.210 nan 0.000 0.436 121 V N 0.121 120.163 119.914 0.213 0.000 3.252 121 V HA 0.261 4.381 4.120 0.000 0.000 0.320 121 V C 1.653 177.795 176.094 0.080 0.000 1.459 121 V CA 0.422 62.840 62.300 0.197 0.000 1.095 121 V CB 0.619 32.385 31.823 -0.094 0.000 0.997 121 V HN 0.387 nan 8.190 nan 0.000 0.469 122 G N 1.102 109.962 108.800 0.100 0.000 2.505 122 G HA2 -0.160 3.800 3.960 0.000 0.000 0.214 122 G HA3 -0.160 3.800 3.960 0.000 0.000 0.214 122 G C 1.153 176.069 174.900 0.026 0.000 1.237 122 G CA 1.180 46.308 45.100 0.046 0.000 0.802 122 G HN 0.529 nan 8.290 nan 0.000 0.549 123 N N -0.531 118.177 118.700 0.013 0.000 2.360 123 N HA 0.007 4.747 4.740 0.000 0.000 0.211 123 N C 2.239 177.676 175.510 -0.122 0.000 1.147 123 N CA 0.877 53.887 53.050 -0.068 0.000 0.866 123 N CB 0.251 38.653 38.487 -0.142 0.000 1.206 123 N HN 0.270 nan 8.380 nan 0.000 0.478 124 V N -1.039 118.831 119.914 -0.073 0.000 2.594 124 V HA -0.071 4.049 4.120 0.000 0.000 0.253 124 V C 1.574 177.656 176.094 -0.021 0.000 1.069 124 V CA 1.287 63.491 62.300 -0.160 0.000 1.082 124 V CB -1.218 30.526 31.823 -0.132 0.000 0.680 124 V HN -0.060 nan 8.190 nan 0.000 0.469 125 F N 2.468 122.387 119.950 -0.053 0.000 2.641 125 F HA 0.272 4.799 4.527 0.000 0.000 0.298 125 F C 2.218 178.071 175.800 0.087 0.000 1.146 125 F CA 1.063 59.082 58.000 0.032 0.000 1.464 125 F CB -0.717 38.303 39.000 0.033 0.000 1.101 125 F HN 0.366 nan 8.300 nan 0.000 0.585 126 G N -1.852 107.039 108.800 0.152 0.000 3.324 126 G HA2 0.052 4.012 3.960 0.000 0.000 0.251 126 G HA3 0.052 4.012 3.960 0.000 0.000 0.251 126 G C 0.137 175.091 174.900 0.090 0.000 1.072 126 G CA -0.208 44.952 45.100 0.100 0.000 0.787 126 G HN -0.023 nan 8.290 nan 0.000 0.537 127 F N 1.657 121.618 119.950 0.019 0.000 2.608 127 F HA 0.165 4.692 4.527 0.000 0.000 0.380 127 F C 1.757 177.554 175.800 -0.006 0.000 1.083 127 F CA -0.005 57.988 58.000 -0.011 0.000 1.266 127 F CB 1.048 40.015 39.000 -0.054 0.000 1.076 127 F HN -0.028 nan 8.300 nan 0.000 0.574 128 K N 2.827 123.387 120.400 0.267 0.000 2.097 128 K HA -0.131 4.189 4.320 0.000 0.000 0.206 128 K C 1.925 178.565 176.600 0.068 0.000 1.049 128 K CA 1.284 57.644 56.287 0.121 0.000 0.933 128 K CB -0.133 32.416 32.500 0.082 0.000 0.717 128 K HN 0.696 nan 8.250 nan 0.000 0.442 129 A N 0.875 123.709 122.820 0.023 0.000 2.248 129 A HA 0.024 4.344 4.320 0.000 0.000 0.210 129 A C 0.651 178.202 177.584 -0.055 0.000 1.174 129 A CA 0.656 52.653 52.037 -0.066 0.000 0.750 129 A CB -0.282 18.598 19.000 -0.199 0.000 0.780 129 A HN 0.106 nan 8.150 nan 0.000 0.478 130 L N -1.793 119.431 121.223 0.002 0.000 2.334 130 L HA 0.453 4.793 4.340 0.000 0.000 0.273 130 L C 1.166 178.060 176.870 0.039 0.000 1.013 130 L CA -0.742 54.102 54.840 0.007 0.000 0.816 130 L CB 1.687 43.752 42.059 0.011 0.000 1.278 130 L HN 0.114 nan 8.230 nan 0.000 0.431 131 R N 1.275 121.796 120.500 0.035 0.000 2.189 131 R HA 0.402 4.742 4.340 0.000 0.000 0.203 131 R C 0.016 176.365 176.300 0.082 0.000 1.012 131 R CA 0.502 56.628 56.100 0.043 0.000 1.015 131 R CB 0.516 30.833 30.300 0.028 0.000 0.938 131 R HN 0.727 nan 8.270 nan 0.000 0.472 132 A N 0.510 123.395 122.820 0.109 0.000 2.605 132 A HA 0.575 4.895 4.320 0.000 0.000 0.294 132 A C -2.135 175.508 177.584 0.099 0.000 1.062 132 A CA -0.641 51.537 52.037 0.235 0.000 0.682 132 A CB 1.595 20.720 19.000 0.208 0.000 1.278 132 A HN 0.029 nan 8.150 nan 0.000 0.410 133 L N 0.790 122.022 121.223 0.015 0.000 2.543 133 L HA 0.740 5.080 4.340 0.000 0.000 0.265 133 L C -0.653 176.030 176.870 -0.312 0.000 0.945 133 L CA -0.073 54.577 54.840 -0.318 0.000 0.869 133 L CB 1.868 43.490 42.059 -0.728 0.000 1.294 133 L HN 0.832 nan 8.230 nan 0.000 0.405 134 R N 4.123 124.572 120.500 -0.085 0.000 2.513 134 R HA 0.582 4.922 4.340 0.000 0.000 0.301 134 R C -1.693 174.674 176.300 0.112 0.000 0.968 134 R CA -0.928 55.219 56.100 0.078 0.000 0.872 134 R CB 1.727 32.067 30.300 0.067 0.000 1.177 134 R HN 0.664 nan 8.270 nan 0.000 0.444 135 L N 4.452 125.786 121.223 0.186 0.000 2.278 135 L HA 0.220 4.560 4.340 0.000 0.000 0.287 135 L C 0.714 177.519 176.870 -0.108 0.000 1.072 135 L CA 0.565 55.367 54.840 -0.065 0.000 0.819 135 L CB 1.097 43.104 42.059 -0.086 0.000 1.176 135 L HN 0.706 nan 8.230 nan 0.000 0.435 136 E N 2.269 122.313 120.200 -0.261 0.000 2.166 136 E HA 0.112 4.462 4.350 0.000 0.000 0.192 136 E C -0.262 176.166 176.600 -0.287 0.000 0.967 136 E CA 0.465 56.676 56.400 -0.315 0.000 0.840 136 E CB 0.447 29.716 29.700 -0.719 0.000 0.795 136 E HN 0.695 nan 8.360 nan 0.000 0.470 137 D N -1.107 119.134 120.400 -0.265 0.000 2.648 137 D HA 0.390 5.030 4.640 0.000 0.000 0.244 137 D C -1.520 174.870 176.300 0.149 0.000 1.244 137 D CA -0.448 53.545 54.000 -0.012 0.000 0.772 137 D CB 1.369 42.203 40.800 0.057 0.000 1.379 137 D HN -0.148 nan 8.370 nan 0.000 0.428 138 L N 1.254 122.579 121.223 0.169 0.000 2.431 138 L HA 0.509 4.849 4.340 0.000 0.000 0.266 138 L C -0.311 176.469 176.870 -0.150 0.000 0.978 138 L CA -0.905 53.929 54.840 -0.010 0.000 0.822 138 L CB 2.293 44.320 42.059 -0.055 0.000 1.310 138 L HN 0.174 nan 8.230 nan 0.000 0.409 139 R N 3.872 124.039 120.500 -0.555 0.000 2.204 139 R HA 0.486 4.826 4.340 0.000 0.000 0.341 139 R C -1.086 175.013 176.300 -0.334 0.000 1.035 139 R CA -0.445 55.354 56.100 -0.503 0.000 0.887 139 R CB 0.355 30.190 30.300 -0.775 0.000 1.114 139 R HN 0.556 nan 8.270 nan 0.000 0.473 140 I N 7.845 128.236 120.570 -0.300 0.000 2.304 140 I HA 0.256 4.426 4.170 0.000 0.000 0.291 140 I C -1.745 174.238 176.117 -0.223 0.000 1.018 140 I CA -2.046 59.100 61.300 -0.257 0.000 1.260 140 I CB 1.690 39.523 38.000 -0.278 0.000 1.390 140 I HN 0.318 nan 8.210 nan 0.000 0.475 141 P HA 0.011 nan 4.420 nan 0.000 0.275 141 P C 1.013 178.293 177.300 -0.034 0.000 1.228 141 P CA -0.271 62.784 63.100 -0.074 0.000 0.786 141 P CB 1.324 33.006 31.700 -0.029 0.000 0.927 142 V N 0.351 120.243 119.914 -0.037 0.000 2.594 142 V HA -0.187 3.933 4.120 0.000 0.000 0.253 142 V C 2.167 178.286 176.094 0.043 0.000 1.069 142 V CA 1.982 64.275 62.300 -0.011 0.000 1.082 142 V CB -2.118 29.703 31.823 -0.004 0.000 0.680 142 V HN 0.520 nan 8.190 nan 0.000 0.469 143 A N -1.073 121.785 122.820 0.064 0.000 2.014 143 A HA -0.067 4.253 4.320 0.000 0.000 0.218 143 A C 2.099 179.782 177.584 0.165 0.000 1.163 143 A CA 1.599 53.691 52.037 0.093 0.000 0.652 143 A CB -0.701 18.349 19.000 0.083 0.000 0.808 143 A HN 0.692 nan 8.150 nan 0.000 0.449 144 Y N 0.181 120.503 120.300 0.037 0.000 2.314 144 Y HA -0.037 4.513 4.550 0.000 0.000 0.294 144 Y C 2.296 178.318 175.900 0.204 0.000 1.119 144 Y CA 1.146 59.302 58.100 0.094 0.000 1.179 144 Y CB -0.202 38.280 38.460 0.036 0.000 1.025 144 Y HN 0.055 nan 8.280 nan 0.000 0.541 145 V N 0.800 120.786 119.914 0.121 0.000 2.278 145 V HA -0.369 3.752 4.120 0.000 0.000 0.251 145 V C 2.291 178.484 176.094 0.165 0.000 1.062 145 V CA 2.228 64.582 62.300 0.090 0.000 1.038 145 V CB -0.606 31.234 31.823 0.027 0.000 0.646 145 V HN 0.258 nan 8.190 nan 0.000 0.447 146 K N 0.560 121.022 120.400 0.102 0.000 2.360 146 K HA -0.095 4.225 4.320 0.000 0.000 0.201 146 K C 2.074 178.688 176.600 0.024 0.000 1.046 146 K CA 1.541 57.870 56.287 0.070 0.000 0.945 146 K CB -0.859 31.669 32.500 0.047 0.000 0.750 146 K HN 0.767 nan 8.250 nan 0.000 0.464 147 T N -1.731 112.802 114.554 -0.035 0.000 3.227 147 T HA 0.057 4.407 4.350 0.000 0.000 0.257 147 T C 0.401 174.873 174.700 -0.380 0.000 1.162 147 T CA 0.020 61.986 62.100 -0.223 0.000 1.051 147 T CB -0.385 68.264 68.868 -0.365 0.000 0.953 147 T HN -0.130 nan 8.240 nan 0.000 0.535 148 F N 0.325 120.191 119.950 -0.139 0.000 2.561 148 F HA 0.470 4.997 4.527 0.000 0.000 0.321 148 F C 1.352 177.120 175.800 -0.053 0.000 1.065 148 F CA -1.272 56.668 58.000 -0.099 0.000 0.934 148 F CB 2.156 41.087 39.000 -0.115 0.000 1.215 148 F HN -0.162 nan 8.300 nan 0.000 0.471 149 Q N 1.921 121.822 119.800 0.169 0.000 2.187 149 Q HA 0.222 4.562 4.340 0.000 0.000 0.199 149 Q C 1.050 177.092 176.000 0.070 0.000 0.957 149 Q CA 1.115 56.957 55.803 0.064 0.000 0.857 149 Q CB -0.027 28.719 28.738 0.013 0.000 0.929 149 Q HN 1.004 nan 8.270 nan 0.000 0.453 150 G N 0.735 109.598 108.800 0.105 0.000 2.645 150 G HA2 -0.264 3.697 3.960 0.000 0.000 0.246 150 G HA3 -0.264 3.697 3.960 0.000 0.000 0.246 150 G C -2.460 172.425 174.900 -0.024 0.000 1.322 150 G CA -0.354 44.754 45.100 0.012 0.000 0.898 150 G HN 0.333 nan 8.290 nan 0.000 0.573 151 P HA 0.170 nan 4.420 nan 0.000 0.266 151 P C -1.709 175.526 177.300 -0.108 0.000 1.193 151 P CA -0.408 62.642 63.100 -0.084 0.000 0.770 151 P CB 0.219 31.867 31.700 -0.087 0.000 0.836 152 P HA -0.156 nan 4.420 nan 0.000 0.216 152 P C 0.963 177.859 177.300 -0.674 0.000 1.153 152 P CA 1.892 64.779 63.100 -0.355 0.000 0.848 152 P CB 0.038 31.569 31.700 -0.283 0.000 0.787 153 H N -3.147 115.906 119.070 -0.028 0.000 2.143 153 H HA 0.370 4.926 4.556 0.000 0.000 0.238 153 H C 1.108 176.428 175.328 -0.013 0.000 0.914 153 H CA 1.117 57.155 56.048 -0.017 0.000 1.154 153 H CB -0.028 29.726 29.762 -0.013 0.000 1.359 153 H HN 0.061 nan 8.280 nan 0.000 0.493 154 G N 0.901 109.758 108.800 0.096 0.000 2.699 154 G HA2 -0.191 3.769 3.960 0.000 0.000 0.686 154 G HA3 -0.191 3.769 3.960 0.000 0.000 0.686 154 G C 0.766 175.707 174.900 0.068 0.000 1.301 154 G CA -0.072 45.053 45.100 0.042 0.000 0.816 154 G HN 0.224 nan 8.290 nan 0.000 0.595 155 I N 0.234 120.831 120.570 0.045 0.000 2.151 155 I HA -0.289 3.881 4.170 0.000 0.000 0.243 155 I C 2.918 179.078 176.117 0.073 0.000 1.080 155 I CA 2.437 63.771 61.300 0.057 0.000 1.339 155 I CB -0.213 37.810 38.000 0.038 0.000 1.039 155 I HN 0.771 nan 8.210 nan 0.000 0.409 156 Q N 0.998 120.841 119.800 0.072 0.000 2.020 156 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 156 Q C 2.377 178.437 176.000 0.100 0.000 0.982 156 Q CA 2.178 58.036 55.803 0.092 0.000 0.838 156 Q CB -0.015 28.769 28.738 0.078 0.000 0.899 156 Q HN 0.379 nan 8.270 nan 0.000 0.423 157 V N 1.341 121.311 119.914 0.094 0.000 2.407 157 V HA -0.252 3.868 4.120 0.000 0.000 0.248 157 V C 2.312 178.444 176.094 0.065 0.000 1.055 157 V CA 2.197 64.555 62.300 0.096 0.000 1.049 157 V CB -0.751 31.155 31.823 0.138 0.000 0.662 157 V HN 0.495 nan 8.190 nan 0.000 0.455 158 E N 0.471 120.712 120.200 0.069 0.000 2.038 158 E HA -0.261 4.089 4.350 0.000 0.000 0.195 158 E C 2.452 179.063 176.600 0.019 0.000 1.000 158 E CA 1.577 58.005 56.400 0.046 0.000 0.803 158 E CB -0.111 29.650 29.700 0.102 0.000 0.750 158 E HN 0.525 nan 8.360 nan 0.000 0.448 159 R N 0.361 120.867 120.500 0.009 0.000 2.127 159 R HA -0.133 4.207 4.340 0.000 0.000 0.238 159 R C 1.943 178.138 176.300 -0.175 0.000 1.134 159 R CA 1.454 57.477 56.100 -0.128 0.000 0.975 159 R CB -0.175 30.071 30.300 -0.089 0.000 0.865 159 R HN 0.310 nan 8.270 nan 0.000 0.447 160 D N 0.518 120.940 120.400 0.037 0.000 2.123 160 D HA -0.097 4.543 4.640 0.000 0.000 0.200 160 D C 1.776 178.099 176.300 0.039 0.000 0.976 160 D CA 0.930 55.000 54.000 0.116 0.000 0.831 160 D CB -0.012 40.876 40.800 0.146 0.000 0.974 160 D HN 0.022 nan 8.370 nan 0.000 0.469 161 K N 0.565 120.969 120.400 0.006 0.000 2.103 161 K HA -0.042 4.279 4.320 0.000 0.000 0.207 161 K C 2.154 178.742 176.600 -0.019 0.000 1.048 161 K CA 0.552 56.831 56.287 -0.013 0.000 0.930 161 K CB -0.313 32.154 32.500 -0.055 0.000 0.716 161 K HN 0.277 nan 8.250 nan 0.000 0.444 162 L N -0.048 121.147 121.223 -0.048 0.000 2.585 162 L HA 0.114 4.454 4.340 0.000 0.000 0.226 162 L C 0.407 177.209 176.870 -0.114 0.000 1.113 162 L CA -0.078 54.728 54.840 -0.057 0.000 0.876 162 L CB -0.354 41.679 42.059 -0.044 0.000 1.072 162 L HN 0.356 nan 8.230 nan 0.000 0.468 163 N N 1.417 120.016 118.700 -0.168 0.000 2.758 163 N HA -0.172 4.568 4.740 0.000 0.000 0.248 163 N C -0.447 174.836 175.510 -0.379 0.000 1.076 163 N CA 0.458 53.394 53.050 -0.190 0.000 0.696 163 N CB -0.328 38.149 38.487 -0.015 0.000 0.979 163 N HN 0.356 nan 8.380 nan 0.000 0.550 164 K N 1.372 121.363 120.400 -0.681 0.000 2.450 164 K HA 0.395 4.715 4.320 0.000 0.000 0.257 164 K C -1.503 174.680 176.600 -0.694 0.000 0.953 164 K CA -0.338 55.648 56.287 -0.502 0.000 0.844 164 K CB 1.089 33.421 32.500 -0.279 0.000 1.103 164 K HN 0.083 nan 8.250 nan 0.000 0.429 165 Y N -0.438 119.866 120.300 0.007 0.000 2.504 165 Y HA 0.418 4.968 4.550 0.000 0.000 0.344 165 Y C 0.900 176.807 175.900 0.011 0.000 1.023 165 Y CA -0.806 57.301 58.100 0.012 0.000 1.020 165 Y CB 2.582 41.049 38.460 0.013 0.000 1.282 165 Y HN 0.784 nan 8.280 nan 0.000 0.454 166 G N 1.894 110.795 108.800 0.169 0.000 2.144 166 G HA2 -0.153 3.807 3.960 0.000 0.000 0.218 166 G HA3 -0.153 3.807 3.960 0.000 0.000 0.218 166 G C -0.286 174.656 174.900 0.071 0.000 0.988 166 G CA 0.005 45.170 45.100 0.108 0.000 0.659 166 G HN 0.895 nan 8.290 nan 0.000 0.522 167 R N -1.598 118.937 120.500 0.058 0.000 2.709 167 R HA 0.564 4.904 4.340 0.000 0.000 0.270 167 R C -3.429 172.891 176.300 0.035 0.000 1.038 167 R CA -1.673 54.453 56.100 0.044 0.000 0.872 167 R CB 0.406 30.726 30.300 0.033 0.000 1.259 167 R HN 0.005 nan 8.270 nan 0.000 0.473 168 P HA 0.001 nan 4.420 nan 0.000 0.266 168 P C -0.423 176.884 177.300 0.012 0.000 1.193 168 P CA -0.005 63.114 63.100 0.032 0.000 0.770 168 P CB 0.422 32.153 31.700 0.052 0.000 0.836 169 L N 2.230 123.455 121.223 0.002 0.000 2.421 169 L HA 0.375 4.715 4.340 0.000 0.000 0.263 169 L C 0.355 177.243 176.870 0.029 0.000 1.122 169 L CA -0.581 54.250 54.840 -0.015 0.000 0.804 169 L CB 0.142 42.212 42.059 0.019 0.000 1.150 169 L HN 0.201 nan 8.230 nan 0.000 0.457 170 L N 1.180 122.405 121.223 0.003 0.000 2.325 170 L HA 0.642 4.982 4.340 0.000 0.000 0.281 170 L C 0.289 177.223 176.870 0.105 0.000 1.004 170 L CA -0.208 54.678 54.840 0.077 0.000 0.823 170 L CB 1.683 43.769 42.059 0.045 0.000 1.236 170 L HN 0.727 nan 8.230 nan 0.000 0.415 171 G N 0.894 109.794 108.800 0.166 0.000 3.211 171 G HA2 0.642 4.602 3.960 0.000 0.000 0.262 171 G HA3 0.642 4.602 3.960 0.000 0.000 0.262 171 G C -1.678 173.265 174.900 0.072 0.000 1.352 171 G CA -0.537 44.644 45.100 0.134 0.000 1.004 171 G HN 0.648 nan 8.290 nan 0.000 0.559 172 C N 0.033 119.321 119.300 -0.021 0.000 3.158 172 C HA 0.522 4.982 4.460 0.000 0.000 0.428 172 C C -0.307 174.645 174.990 -0.062 0.000 0.985 172 C CA -0.564 58.452 59.018 -0.003 0.000 1.240 172 C CB 0.007 27.765 27.740 0.030 0.000 1.615 172 C HN 0.866 nan 8.230 nan 0.000 0.570 173 T N 7.174 121.710 114.554 -0.031 0.000 2.851 173 T HA 0.366 4.717 4.350 0.000 0.000 0.298 173 T C 0.652 175.341 174.700 -0.018 0.000 0.977 173 T CA -0.265 61.823 62.100 -0.020 0.000 1.126 173 T CB 0.364 69.251 68.868 0.031 0.000 0.916 173 T HN 0.583 nan 8.240 nan 0.000 0.529 174 I N 3.768 124.306 120.570 -0.052 0.000 2.648 174 I HA 0.142 4.312 4.170 0.000 0.000 0.284 174 I C 0.675 176.755 176.117 -0.062 0.000 1.153 174 I CA 0.170 61.376 61.300 -0.158 0.000 1.426 174 I CB -0.141 37.518 38.000 -0.567 0.000 1.381 174 I HN 0.426 nan 8.210 nan 0.000 0.571 175 K N 7.057 127.428 120.400 -0.048 0.000 2.324 175 K HA 0.535 4.855 4.320 0.000 0.000 0.253 175 K C -2.485 174.118 176.600 0.005 0.000 0.932 175 K CA -1.847 54.445 56.287 0.008 0.000 0.799 175 K CB 1.838 34.357 32.500 0.033 0.000 1.154 175 K HN 0.212 nan 8.250 nan 0.000 0.425 176 P HA 0.197 nan 4.420 nan 0.000 0.275 176 P C 0.439 177.761 177.300 0.037 0.000 1.227 176 P CA -0.137 62.972 63.100 0.015 0.000 0.781 176 P CB 0.944 32.637 31.700 -0.011 0.000 0.906 177 K N 1.490 121.908 120.400 0.031 0.000 2.020 177 K HA -0.090 4.230 4.320 0.000 0.000 0.212 177 K C 0.736 177.380 176.600 0.073 0.000 1.050 177 K CA 1.271 57.595 56.287 0.061 0.000 0.929 177 K CB -0.209 32.314 32.500 0.037 0.000 0.714 177 K HN 0.395 nan 8.250 nan 0.000 0.443 178 L N -1.964 119.222 121.223 -0.061 0.000 2.333 178 L HA 0.415 4.755 4.340 0.000 0.000 0.263 178 L C 0.782 177.298 176.870 -0.589 0.000 1.014 178 L CA -0.341 54.314 54.840 -0.309 0.000 0.820 178 L CB 2.195 44.086 42.059 -0.279 0.000 1.352 178 L HN 0.482 nan 8.230 nan 0.000 0.421 179 G N 1.155 109.125 108.800 -1.384 0.000 2.218 179 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 179 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 179 G C -0.136 174.624 174.900 -0.233 0.000 0.994 179 G CA -0.488 44.126 45.100 -0.811 0.000 0.637 179 G HN 0.322 nan 8.290 nan 0.000 0.505 180 L N 2.135 123.363 121.223 0.008 0.000 2.418 180 L HA 0.577 4.917 4.340 0.000 0.000 0.265 180 L C 1.496 178.562 176.870 0.327 0.000 1.143 180 L CA -0.042 54.916 54.840 0.198 0.000 0.809 180 L CB 1.375 43.604 42.059 0.283 0.000 1.124 180 L HN 0.454 nan 8.230 nan 0.000 0.456 181 S N 1.064 116.897 115.700 0.222 0.000 2.645 181 S HA 0.354 4.824 4.470 0.000 0.000 0.266 181 S C 1.027 175.726 174.600 0.165 0.000 1.258 181 S CA -0.188 58.122 58.200 0.183 0.000 0.990 181 S CB 1.548 64.800 63.200 0.087 0.000 0.967 181 S HN 0.702 nan 8.310 nan 0.000 0.556 182 A N 1.346 124.236 122.820 0.116 0.000 1.892 182 A HA -0.158 4.162 4.320 0.000 0.000 0.218 182 A C 2.163 179.738 177.584 -0.015 0.000 1.188 182 A CA 1.957 54.081 52.037 0.146 0.000 0.631 182 A CB -0.967 18.192 19.000 0.264 0.000 0.822 182 A HN 0.910 nan 8.150 nan 0.000 0.447 183 K N -0.646 119.540 120.400 -0.357 0.000 2.155 183 K HA -0.080 4.240 4.320 0.000 0.000 0.203 183 K C 1.708 178.154 176.600 -0.258 0.000 1.052 183 K CA 1.334 57.190 56.287 -0.719 0.000 0.948 183 K CB -0.226 31.809 32.500 -0.775 0.000 0.728 183 K HN 0.660 nan 8.250 nan 0.000 0.448 184 N N -0.747 117.907 118.700 -0.077 0.000 2.216 184 N HA -0.133 4.607 4.740 0.000 0.000 0.183 184 N C 1.480 177.030 175.510 0.065 0.000 1.017 184 N CA 0.583 53.634 53.050 0.002 0.000 0.861 184 N CB -0.061 38.447 38.487 0.034 0.000 0.986 184 N HN 0.116 nan 8.380 nan 0.000 0.428 185 Y N 1.391 121.694 120.300 0.005 0.000 2.081 185 Y HA -0.204 4.346 4.550 0.000 0.000 0.280 185 Y C 2.520 178.423 175.900 0.004 0.000 1.163 185 Y CA 1.882 60.003 58.100 0.035 0.000 1.135 185 Y CB -0.781 37.727 38.460 0.080 0.000 0.970 185 Y HN 0.046 nan 8.280 nan 0.000 0.498 186 G N -0.708 108.184 108.800 0.153 0.000 2.422 186 G HA2 -0.313 3.647 3.960 0.000 0.000 0.218 186 G HA3 -0.313 3.647 3.960 0.000 0.000 0.218 186 G C 1.751 176.695 174.900 0.074 0.000 1.146 186 G CA 0.924 46.084 45.100 0.100 0.000 0.769 186 G HN 0.370 nan 8.290 nan 0.000 0.547 187 R N 0.647 121.170 120.500 0.038 0.000 2.091 187 R HA 0.011 4.351 4.340 0.000 0.000 0.238 187 R C 2.764 179.110 176.300 0.078 0.000 1.136 187 R CA 1.663 57.806 56.100 0.071 0.000 0.959 187 R CB -0.458 29.857 30.300 0.025 0.000 0.856 187 R HN 0.263 nan 8.270 nan 0.000 0.437 188 A N 0.528 123.352 122.820 0.006 0.000 1.898 188 A HA -0.074 4.246 4.320 0.000 0.000 0.216 188 A C 2.321 179.884 177.584 -0.035 0.000 1.181 188 A CA 1.507 53.522 52.037 -0.037 0.000 0.620 188 A CB -0.604 18.327 19.000 -0.114 0.000 0.819 188 A HN 0.228 nan 8.150 nan 0.000 0.442 189 V N -0.923 118.971 119.914 -0.033 0.000 2.282 189 V HA -0.336 3.784 4.120 0.000 0.000 0.249 189 V C 2.410 178.538 176.094 0.057 0.000 1.057 189 V CA 2.406 64.710 62.300 0.006 0.000 1.032 189 V CB -1.119 30.683 31.823 -0.036 0.000 0.645 189 V HN 0.760 nan 8.190 nan 0.000 0.447 190 Y N 1.402 121.695 120.300 -0.012 0.000 2.097 190 Y HA -0.222 4.328 4.550 0.000 0.000 0.282 190 Y C 2.599 178.500 175.900 0.002 0.000 1.152 190 Y CA 2.068 60.170 58.100 0.004 0.000 1.136 190 Y CB -0.400 38.069 38.460 0.016 0.000 0.975 190 Y HN 0.281 nan 8.280 nan 0.000 0.498 191 E N -0.197 119.846 120.200 -0.262 0.000 2.077 191 E HA -0.226 4.124 4.350 0.000 0.000 0.193 191 E C 2.485 178.943 176.600 -0.236 0.000 0.989 191 E CA 1.467 57.654 56.400 -0.356 0.000 0.800 191 E CB -0.975 28.640 29.700 -0.143 0.000 0.746 191 E HN 0.565 nan 8.360 nan 0.000 0.452 192 C N 0.905 120.127 119.300 -0.130 0.000 2.413 192 C HA -0.124 4.336 4.460 0.000 0.000 0.277 192 C C 2.908 177.840 174.990 -0.097 0.000 1.228 192 C CA 0.551 59.516 59.018 -0.088 0.000 1.731 192 C CB -1.223 26.492 27.740 -0.042 0.000 2.042 192 C HN 0.361 nan 8.230 nan 0.000 0.468 193 L N 1.027 122.200 121.223 -0.084 0.000 2.141 193 L HA -0.142 4.199 4.340 0.000 0.000 0.209 193 L C 2.865 179.680 176.870 -0.091 0.000 1.094 193 L CA 1.673 56.478 54.840 -0.057 0.000 0.763 193 L CB -0.700 41.360 42.059 0.002 0.000 0.908 193 L HN 0.487 nan 8.230 nan 0.000 0.437 194 R N 0.396 120.787 120.500 -0.182 0.000 2.235 194 R HA -0.045 4.295 4.340 0.000 0.000 0.213 194 R C 1.814 178.037 176.300 -0.129 0.000 1.059 194 R CA 1.202 57.195 56.100 -0.178 0.000 0.997 194 R CB -0.501 29.570 30.300 -0.380 0.000 0.884 194 R HN 0.231 nan 8.270 nan 0.000 0.462 195 G N -0.578 108.144 108.800 -0.129 0.000 3.042 195 G HA2 0.267 4.227 3.960 0.000 0.000 0.212 195 G HA3 0.267 4.227 3.960 0.000 0.000 0.212 195 G C 0.826 175.682 174.900 -0.074 0.000 1.166 195 G CA 0.205 45.246 45.100 -0.098 0.000 0.767 195 G HN 0.563 nan 8.290 nan 0.000 0.546 196 G N -0.635 108.124 108.800 -0.069 0.000 2.198 196 G HA2 -0.171 3.789 3.960 0.000 0.000 0.156 196 G HA3 -0.171 3.789 3.960 0.000 0.000 0.156 196 G C 0.255 175.115 174.900 -0.066 0.000 1.012 196 G CA -0.360 44.706 45.100 -0.058 0.000 0.692 196 G HN 0.331 nan 8.290 nan 0.000 0.492 197 L N 1.048 122.231 121.223 -0.066 0.000 2.436 197 L HA 0.350 4.690 4.340 0.000 0.000 0.265 197 L C 1.124 177.927 176.870 -0.111 0.000 1.168 197 L CA -0.515 54.286 54.840 -0.064 0.000 0.815 197 L CB 0.499 42.540 42.059 -0.030 0.000 1.109 197 L HN 0.023 nan 8.230 nan 0.000 0.462 198 D N 1.027 121.307 120.400 -0.199 0.000 2.216 198 D HA 0.055 4.695 4.640 0.000 0.000 0.208 198 D C -0.095 175.962 176.300 -0.405 0.000 0.960 198 D CA 1.393 55.147 54.000 -0.410 0.000 0.861 198 D CB 0.332 40.691 40.800 -0.736 0.000 0.985 198 D HN 0.139 nan 8.370 nan 0.000 0.493 199 F N 0.335 120.275 119.950 -0.017 0.000 2.577 199 F HA 0.334 4.861 4.527 0.000 0.000 0.318 199 F C 0.744 176.431 175.800 -0.187 0.000 1.065 199 F CA -1.084 56.862 58.000 -0.091 0.000 0.929 199 F CB 1.736 40.680 39.000 -0.094 0.000 1.237 199 F HN -0.323 nan 8.300 nan 0.000 0.468 203 D N 1.155 121.678 120.400 0.206 0.000 2.400 203 D HA -0.039 4.601 4.640 0.000 0.000 0.238 203 D C 1.461 177.747 176.300 -0.023 0.000 1.157 203 D CA 0.080 54.133 54.000 0.088 0.000 0.889 203 D CB 1.153 42.031 40.800 0.131 0.000 1.199 203 D HN 0.433 nan 8.370 nan 0.000 0.436 204 E N 2.814 122.882 120.200 -0.220 0.000 2.160 204 E HA -0.259 4.091 4.350 0.000 0.000 0.195 204 E C 0.814 177.306 176.600 -0.181 0.000 0.991 204 E CA 1.332 57.487 56.400 -0.409 0.000 0.810 204 E CB -0.309 28.748 29.700 -1.071 0.000 0.742 204 E HN 0.525 nan 8.360 nan 0.000 0.466 205 N N 0.951 119.601 118.700 -0.083 0.000 2.325 205 N HA -0.018 4.722 4.740 0.000 0.000 0.182 205 N C 0.367 175.914 175.510 0.062 0.000 1.088 205 N CA 0.061 53.103 53.050 -0.013 0.000 0.879 205 N CB -0.211 38.278 38.487 0.003 0.000 0.983 205 N HN -0.049 nan 8.380 nan 0.000 0.471 206 V N 2.355 122.328 119.914 0.099 0.000 2.400 206 V HA 0.027 4.147 4.120 0.000 0.000 0.263 206 V C 0.440 176.580 176.094 0.077 0.000 1.026 206 V CA 0.240 62.618 62.300 0.129 0.000 1.077 206 V CB -1.203 30.706 31.823 0.144 0.000 1.054 206 V HN 0.332 nan 8.190 nan 0.000 0.477 207 N N 2.597 121.325 118.700 0.047 0.000 2.528 207 N HA 0.239 4.979 4.740 0.000 0.000 0.208 207 N C -0.123 175.412 175.510 0.042 0.000 1.218 207 N CA -0.420 52.651 53.050 0.035 0.000 1.112 207 N CB 0.394 38.880 38.487 -0.002 0.000 1.423 207 N HN 0.494 nan 8.380 nan 0.000 0.497 208 S N 0.032 115.736 115.700 0.008 0.000 2.647 208 S HA 0.475 4.946 4.470 0.000 0.000 0.300 208 S C -1.545 172.980 174.600 -0.125 0.000 1.129 208 S CA -0.408 57.792 58.200 -0.001 0.000 1.029 208 S CB 1.186 64.491 63.200 0.175 0.000 1.007 208 S HN 0.248 nan 8.310 nan 0.000 0.484 209 Q N 3.075 122.685 119.800 -0.316 0.000 2.615 209 Q HA 0.466 4.806 4.340 0.000 0.000 0.298 209 Q C -2.092 173.662 176.000 -0.411 0.000 1.023 209 Q CA -1.679 53.884 55.803 -0.401 0.000 0.768 209 Q CB 1.443 29.781 28.738 -0.667 0.000 1.500 209 Q HN 0.242 nan 8.270 nan 0.000 0.441 210 P HA -0.158 nan 4.420 nan 0.000 0.218 210 P C 0.568 177.830 177.300 -0.064 0.000 1.148 210 P CA 1.347 64.395 63.100 -0.088 0.000 0.822 210 P CB 0.052 31.766 31.700 0.023 0.000 0.784 211 F N -2.559 117.401 119.950 0.016 0.000 2.558 211 F HA 0.288 4.815 4.527 0.000 0.000 0.298 211 F C 0.933 176.746 175.800 0.021 0.000 1.119 211 F CA 0.054 58.066 58.000 0.021 0.000 1.451 211 F CB -0.516 38.501 39.000 0.030 0.000 1.091 211 F HN -0.193 nan 8.300 nan 0.000 0.563 212 M N 1.299 120.646 119.600 -0.422 0.000 2.387 212 M HA 0.315 4.795 4.480 0.000 0.000 0.215 212 M C -1.555 174.572 176.300 -0.287 0.000 0.973 212 M CA -0.488 54.669 55.300 -0.238 0.000 0.924 212 M CB 0.966 33.514 32.600 -0.086 0.000 2.471 212 M HN -0.180 nan 8.290 nan 0.000 0.445 213 R N 3.684 124.078 120.500 -0.176 0.000 2.459 213 R HA 0.300 4.640 4.340 0.000 0.000 0.281 213 R C 1.081 177.286 176.300 -0.157 0.000 1.050 213 R CA -0.204 55.787 56.100 -0.181 0.000 1.055 213 R CB 0.640 30.809 30.300 -0.219 0.000 1.045 213 R HN 0.976 nan 8.270 nan 0.000 0.495 214 W N 4.093 125.273 121.300 -0.201 0.000 2.338 214 W HA -0.181 4.479 4.660 0.000 0.000 0.304 214 W C 1.176 177.491 176.519 -0.340 0.000 1.212 214 W CA 0.828 58.020 57.345 -0.256 0.000 1.264 214 W CB -0.418 28.829 29.460 -0.355 0.000 1.142 214 W HN 0.573 nan 8.180 nan 0.000 0.512 215 R N 1.091 120.829 120.500 -1.269 0.000 2.090 215 R HA -0.131 4.209 4.340 0.000 0.000 0.228 215 R C 1.912 177.967 176.300 -0.407 0.000 1.110 215 R CA 1.962 57.320 56.100 -1.237 0.000 0.973 215 R CB -0.442 28.805 30.300 -1.754 0.000 0.869 215 R HN -0.029 nan 8.270 nan 0.000 0.440 216 D N 0.227 120.448 120.400 -0.299 0.000 2.104 216 D HA -0.231 4.409 4.640 0.000 0.000 0.194 216 D C 1.874 178.272 176.300 0.163 0.000 0.994 216 D CA 1.169 55.132 54.000 -0.062 0.000 0.830 216 D CB -0.251 40.561 40.800 0.019 0.000 0.959 216 D HN 0.278 nan 8.370 nan 0.000 0.452 217 R N -0.179 120.441 120.500 0.200 0.000 2.073 217 R HA -0.152 4.188 4.340 0.000 0.000 0.234 217 R C 2.342 178.901 176.300 0.432 0.000 1.134 217 R CA 1.030 57.311 56.100 0.302 0.000 0.952 217 R CB -0.337 30.084 30.300 0.201 0.000 0.850 217 R HN 0.025 nan 8.270 nan 0.000 0.433 218 F N 1.208 121.286 119.950 0.213 0.000 2.087 218 F HA -0.252 4.275 4.527 0.000 0.000 0.299 218 F C 2.303 178.194 175.800 0.152 0.000 1.100 218 F CA 1.243 59.392 58.000 0.249 0.000 1.226 218 F CB -0.981 38.295 39.000 0.460 0.000 0.983 218 F HN 0.119 nan 8.300 nan 0.000 0.479 219 L N -1.562 119.868 121.223 0.345 0.000 2.027 219 L HA -0.217 4.123 4.340 0.000 0.000 0.206 219 L C 2.342 179.219 176.870 0.011 0.000 1.074 219 L CA 1.386 56.298 54.840 0.120 0.000 0.745 219 L CB -0.466 41.587 42.059 -0.010 0.000 0.898 219 L HN -0.043 nan 8.230 nan 0.000 0.433 220 F N -0.699 119.321 119.950 0.118 0.000 2.206 220 F HA -0.167 4.360 4.527 0.000 0.000 0.298 220 F C 2.597 178.421 175.800 0.040 0.000 1.090 220 F CA 1.111 59.156 58.000 0.075 0.000 1.323 220 F CB -1.049 37.998 39.000 0.077 0.000 1.028 220 F HN 0.188 nan 8.300 nan 0.000 0.492 221 C N -0.336 119.077 119.300 0.188 0.000 2.435 221 C HA -0.038 4.422 4.460 0.000 0.000 0.279 221 C C 3.096 178.055 174.990 -0.052 0.000 1.321 221 C CA 0.790 59.800 59.018 -0.013 0.000 1.752 221 C CB -1.526 26.078 27.740 -0.227 0.000 1.959 221 C HN 0.503 nan 8.230 nan 0.000 0.500 222 A N 0.565 123.366 122.820 -0.032 0.000 1.883 222 A HA -0.262 4.058 4.320 0.000 0.000 0.217 222 A C 2.171 179.740 177.584 -0.026 0.000 1.186 222 A CA 2.027 53.992 52.037 -0.120 0.000 0.624 222 A CB -0.752 18.235 19.000 -0.022 0.000 0.822 222 A HN 0.704 nan 8.150 nan 0.000 0.444 223 E N -0.133 120.126 120.200 0.098 0.000 2.085 223 E HA -0.173 4.177 4.350 0.000 0.000 0.194 223 E C 2.149 178.812 176.600 0.104 0.000 0.994 223 E CA 1.203 57.689 56.400 0.143 0.000 0.801 223 E CB -0.269 29.513 29.700 0.137 0.000 0.743 223 E HN 0.531 nan 8.360 nan 0.000 0.453 224 A N 1.345 124.215 122.820 0.084 0.000 1.858 224 A HA -0.170 4.150 4.320 0.000 0.000 0.216 224 A C 2.248 179.900 177.584 0.113 0.000 1.190 224 A CA 1.699 53.795 52.037 0.099 0.000 0.617 224 A CB -0.831 18.241 19.000 0.120 0.000 0.827 224 A HN 0.412 nan 8.150 nan 0.000 0.443 225 L N -2.913 118.314 121.223 0.005 0.000 2.083 225 L HA -0.106 4.234 4.340 0.000 0.000 0.209 225 L C 2.212 179.080 176.870 -0.003 0.000 1.083 225 L CA 1.919 56.739 54.840 -0.032 0.000 0.752 225 L CB -1.256 40.726 42.059 -0.128 0.000 0.899 225 L HN 0.279 nan 8.230 nan 0.000 0.433 226 Y N 0.584 120.929 120.300 0.074 0.000 2.293 226 Y HA -0.075 4.475 4.550 0.000 0.000 0.291 226 Y C 2.752 178.687 175.900 0.059 0.000 1.137 226 Y CA 1.340 59.473 58.100 0.055 0.000 1.202 226 Y CB -0.604 37.876 38.460 0.033 0.000 0.990 226 Y HN 0.321 nan 8.280 nan 0.000 0.537 227 K N 0.105 120.622 120.400 0.196 0.000 2.097 227 K HA -0.103 4.217 4.320 0.000 0.000 0.205 227 K C 2.205 178.943 176.600 0.230 0.000 1.050 227 K CA 1.004 57.367 56.287 0.127 0.000 0.938 227 K CB -0.134 32.326 32.500 -0.066 0.000 0.718 227 K HN 0.228 nan 8.250 nan 0.000 0.442 228 A N 1.036 124.035 122.820 0.299 0.000 1.897 228 A HA -0.191 4.130 4.320 0.000 0.000 0.215 228 A C 2.065 179.735 177.584 0.144 0.000 1.181 228 A CA 1.356 53.546 52.037 0.256 0.000 0.620 228 A CB -0.581 18.526 19.000 0.179 0.000 0.821 228 A HN 0.500 nan 8.150 nan 0.000 0.443 229 Q N -0.451 119.430 119.800 0.135 0.000 2.112 229 Q HA -0.211 4.129 4.340 0.000 0.000 0.206 229 Q C 2.131 178.194 176.000 0.104 0.000 0.987 229 Q CA 1.964 57.835 55.803 0.114 0.000 0.858 229 Q CB -0.329 28.500 28.738 0.151 0.000 0.905 229 Q HN 0.624 nan 8.270 nan 0.000 0.420 230 A N 0.264 123.154 122.820 0.117 0.000 1.968 230 A HA -0.182 4.138 4.320 0.000 0.000 0.217 230 A C 1.840 179.470 177.584 0.077 0.000 1.169 230 A CA 1.374 53.462 52.037 0.085 0.000 0.638 230 A CB -0.501 18.545 19.000 0.076 0.000 0.812 230 A HN 0.596 nan 8.150 nan 0.000 0.446 231 E N -0.152 120.109 120.200 0.101 0.000 2.072 231 E HA -0.163 4.187 4.350 0.000 0.000 0.191 231 E C 2.015 178.653 176.600 0.063 0.000 0.985 231 E CA 1.802 58.258 56.400 0.094 0.000 0.801 231 E CB -0.064 29.723 29.700 0.145 0.000 0.750 231 E HN 0.707 nan 8.360 nan 0.000 0.452 232 T N -3.830 110.758 114.554 0.057 0.000 3.044 232 T HA 0.229 4.579 4.350 0.000 0.000 0.255 232 T C 1.559 176.275 174.700 0.027 0.000 1.073 232 T CA 0.683 62.803 62.100 0.033 0.000 1.125 232 T CB 0.453 69.332 68.868 0.018 0.000 0.908 232 T HN 0.342 nan 8.240 nan 0.000 0.480 233 G N 1.122 109.942 108.800 0.034 0.000 2.157 233 G HA2 -0.195 3.765 3.960 0.000 0.000 0.248 233 G HA3 -0.195 3.765 3.960 0.000 0.000 0.248 233 G C -0.281 174.631 174.900 0.021 0.000 0.979 233 G CA 0.132 45.248 45.100 0.028 0.000 0.650 233 G HN 0.673 nan 8.290 nan 0.000 0.529 234 E N -0.482 119.727 120.200 0.015 0.000 2.212 234 E HA 0.589 4.939 4.350 0.000 0.000 0.268 234 E C 0.327 176.928 176.600 0.001 0.000 0.902 234 E CA -1.108 55.290 56.400 -0.003 0.000 0.779 234 E CB 1.821 31.505 29.700 -0.026 0.000 1.172 234 E HN 0.284 nan 8.360 nan 0.000 0.409 235 I N 2.902 123.467 120.570 -0.009 0.000 2.710 235 I HA -0.012 4.158 4.170 0.000 0.000 0.286 235 I C 0.393 176.499 176.117 -0.018 0.000 1.181 235 I CA 0.473 61.777 61.300 0.007 0.000 1.430 235 I CB 0.107 38.110 38.000 0.005 0.000 1.367 235 I HN 0.171 nan 8.210 nan 0.000 0.577 236 K N 4.281 124.696 120.400 0.025 0.000 2.340 236 K HA 0.765 5.085 4.320 0.000 0.000 0.244 236 K C -0.273 176.385 176.600 0.096 0.000 0.973 236 K CA -0.708 55.591 56.287 0.020 0.000 0.828 236 K CB 2.189 34.707 32.500 0.030 0.000 1.226 236 K HN 0.781 nan 8.250 nan 0.000 0.437 237 G N 0.230 109.160 108.800 0.216 0.000 2.660 237 G HA2 0.382 4.342 3.960 0.000 0.000 0.294 237 G HA3 0.382 4.342 3.960 0.000 0.000 0.294 237 G C -1.807 173.277 174.900 0.307 0.000 1.369 237 G CA -0.263 45.028 45.100 0.319 0.000 0.912 237 G HN 0.554 nan 8.290 nan 0.000 0.479 238 H N 0.959 120.081 119.070 0.088 0.000 2.744 238 H HA 0.339 4.895 4.556 0.000 0.000 0.339 238 H C -1.098 174.240 175.328 0.017 0.000 1.004 238 H CA -0.588 55.458 56.048 -0.004 0.000 1.257 238 H CB 1.310 31.061 29.762 -0.020 0.000 1.552 238 H HN 0.363 nan 8.280 nan 0.000 0.522 239 Y N 5.687 125.615 120.300 -0.621 0.000 2.637 239 Y HA 0.129 4.679 4.550 0.000 0.000 0.350 239 Y C 0.598 176.288 175.900 -0.350 0.000 1.069 239 Y CA -0.726 57.114 58.100 -0.432 0.000 1.397 239 Y CB -0.480 37.714 38.460 -0.443 0.000 1.163 239 Y HN 0.341 nan 8.280 nan 0.000 0.527 240 L N 3.901 125.066 121.223 -0.097 0.000 2.319 240 L HA 0.213 4.553 4.340 0.000 0.000 0.280 240 L C 0.589 177.405 176.870 -0.089 0.000 1.099 240 L CA -0.045 54.643 54.840 -0.255 0.000 0.828 240 L CB 0.470 41.983 42.059 -0.911 0.000 1.150 240 L HN 0.629 nan 8.230 nan 0.000 0.442 241 N N 1.626 120.380 118.700 0.091 0.000 2.444 241 N HA 0.321 5.061 4.740 0.000 0.000 0.271 241 N C 0.407 176.045 175.510 0.213 0.000 1.069 241 N CA -0.087 53.054 53.050 0.151 0.000 0.965 241 N CB 1.298 39.865 38.487 0.133 0.000 1.092 241 N HN 0.774 nan 8.380 nan 0.000 0.476 242 A N 2.465 125.369 122.820 0.140 0.000 2.348 242 A HA 0.129 4.449 4.320 0.000 0.000 0.224 242 A C 0.552 178.162 177.584 0.044 0.000 1.227 242 A CA -0.116 51.956 52.037 0.058 0.000 0.885 242 A CB 0.037 19.045 19.000 0.012 0.000 0.933 242 A HN 0.614 nan 8.150 nan 0.000 0.506 243 T N 1.750 116.378 114.554 0.123 0.000 2.933 243 T HA 0.445 4.795 4.350 0.000 0.000 0.306 243 T C 0.239 174.935 174.700 -0.007 0.000 1.045 243 T CA 1.012 63.172 62.100 0.099 0.000 1.143 243 T CB 0.708 69.570 68.868 -0.010 0.000 1.003 243 T HN 0.906 nan 8.240 nan 0.000 0.540 244 A N 2.045 124.857 122.820 -0.013 0.000 2.536 244 A HA 0.768 5.088 4.320 0.000 0.000 0.293 244 A C 1.169 178.729 177.584 -0.040 0.000 1.119 244 A CA -0.264 51.736 52.037 -0.062 0.000 0.654 244 A CB 0.381 19.302 19.000 -0.131 0.000 1.291 244 A HN 0.771 nan 8.150 nan 0.000 0.439 245 G N -0.810 107.961 108.800 -0.047 0.000 2.464 245 G HA2 0.374 4.334 3.960 0.000 0.000 0.217 245 G HA3 0.374 4.334 3.960 0.000 0.000 0.217 245 G C 0.676 175.559 174.900 -0.030 0.000 1.138 245 G CA 1.774 46.855 45.100 -0.033 0.000 0.793 245 G HN 1.678 nan 8.290 nan 0.000 0.539 246 T N -4.087 110.443 114.554 -0.041 0.000 2.901 246 T HA 0.312 4.662 4.350 0.000 0.000 0.293 246 T C 0.902 175.570 174.700 -0.053 0.000 1.084 246 T CA -0.300 61.777 62.100 -0.039 0.000 1.008 246 T CB 1.430 70.274 68.868 -0.039 0.000 1.170 246 T HN -0.081 nan 8.240 nan 0.000 0.509 247 C N 0.701 119.972 119.300 -0.048 0.000 2.425 247 C HA -0.010 4.450 4.460 0.000 0.000 0.277 247 C C 2.623 177.559 174.990 -0.090 0.000 1.280 247 C CA 0.852 59.829 59.018 -0.068 0.000 1.744 247 C CB -1.346 26.361 27.740 -0.053 0.000 1.989 247 C HN 1.024 nan 8.230 nan 0.000 0.491 248 E N 1.473 121.630 120.200 -0.072 0.000 2.058 248 E HA -0.182 4.168 4.350 0.000 0.000 0.194 248 E C 1.615 178.152 176.600 -0.105 0.000 0.997 248 E CA 1.597 57.952 56.400 -0.075 0.000 0.801 248 E CB -0.361 29.310 29.700 -0.049 0.000 0.746 248 E HN 0.557 nan 8.360 nan 0.000 0.450 249 D N -0.156 120.177 120.400 -0.111 0.000 2.097 249 D HA -0.147 4.493 4.640 0.000 0.000 0.195 249 D C 1.854 177.999 176.300 -0.258 0.000 0.989 249 D CA 0.904 54.804 54.000 -0.166 0.000 0.827 249 D CB -0.285 40.433 40.800 -0.137 0.000 0.966 249 D HN 0.130 nan 8.370 nan 0.000 0.456 250 M N -0.256 119.222 119.600 -0.204 0.000 2.082 250 M HA -0.226 4.254 4.480 0.000 0.000 0.258 250 M C 1.750 177.895 176.300 -0.258 0.000 1.069 250 M CA 1.436 56.608 55.300 -0.213 0.000 1.102 250 M CB 0.005 32.515 32.600 -0.151 0.000 1.336 250 M HN -0.051 nan 8.290 nan 0.000 0.404 251 M N 0.237 119.692 119.600 -0.242 0.000 2.159 251 M HA -0.191 4.289 4.480 0.000 0.000 0.263 251 M C 1.923 178.058 176.300 -0.274 0.000 1.063 251 M CA 1.762 56.883 55.300 -0.298 0.000 1.110 251 M CB -1.246 31.212 32.600 -0.235 0.000 1.374 251 M HN 0.303 nan 8.290 nan 0.000 0.411 252 K N -0.273 119.997 120.400 -0.217 0.000 2.103 252 K HA -0.142 4.178 4.320 0.000 0.000 0.207 252 K C 2.122 178.599 176.600 -0.206 0.000 1.048 252 K CA 1.187 57.385 56.287 -0.147 0.000 0.930 252 K CB -0.090 32.353 32.500 -0.095 0.000 0.716 252 K HN 0.385 nan 8.250 nan 0.000 0.444 253 R N 0.135 120.342 120.500 -0.489 0.000 2.073 253 R HA -0.021 4.319 4.340 0.000 0.000 0.229 253 R C 2.413 178.756 176.300 0.071 0.000 1.120 253 R CA 1.079 56.879 56.100 -0.500 0.000 0.967 253 R CB -0.332 29.525 30.300 -0.739 0.000 0.862 253 R HN 0.141 nan 8.270 nan 0.000 0.436 254 A N 1.149 123.933 122.820 -0.059 0.000 1.902 254 A HA -0.106 4.214 4.320 0.000 0.000 0.217 254 A C 2.408 180.040 177.584 0.081 0.000 1.181 254 A CA 1.318 53.348 52.037 -0.011 0.000 0.623 254 A CB -0.591 18.261 19.000 -0.247 0.000 0.818 254 A HN 0.096 nan 8.150 nan 0.000 0.443 255 V N -1.285 118.613 119.914 -0.027 0.000 2.324 255 V HA -0.264 3.856 4.120 0.000 0.000 0.250 255 V C 2.290 178.571 176.094 0.311 0.000 1.060 255 V CA 2.319 64.714 62.300 0.158 0.000 1.042 255 V CB -0.872 31.007 31.823 0.093 0.000 0.650 255 V HN 0.643 nan 8.190 nan 0.000 0.450 256 F N 1.110 121.198 119.950 0.230 0.000 2.293 256 F HA 0.076 4.603 4.527 0.000 0.000 0.297 256 F C 2.221 178.227 175.800 0.344 0.000 1.089 256 F CA 0.730 58.915 58.000 0.307 0.000 1.377 256 F CB -0.615 38.642 39.000 0.429 0.000 1.051 256 F HN 0.064 nan 8.300 nan 0.000 0.511 257 A N 1.008 124.031 122.820 0.337 0.000 1.883 257 A HA -0.209 4.112 4.320 0.000 0.000 0.217 257 A C 2.473 180.096 177.584 0.066 0.000 1.186 257 A CA 1.564 53.680 52.037 0.132 0.000 0.624 257 A CB -0.811 18.270 19.000 0.134 0.000 0.822 257 A HN 0.301 nan 8.150 nan 0.000 0.444 258 R N -0.001 120.588 120.500 0.149 0.000 2.097 258 R HA -0.208 4.132 4.340 0.000 0.000 0.236 258 R C 2.158 178.508 176.300 0.083 0.000 1.135 258 R CA 2.193 58.376 56.100 0.138 0.000 0.934 258 R CB -0.793 29.646 30.300 0.232 0.000 0.846 258 R HN 0.787 nan 8.270 nan 0.000 0.431 259 E N 0.240 120.491 120.200 0.084 0.000 2.130 259 E HA -0.194 4.157 4.350 0.000 0.000 0.196 259 E C 2.033 178.610 176.600 -0.039 0.000 0.998 259 E CA 1.304 57.733 56.400 0.048 0.000 0.806 259 E CB -0.119 29.660 29.700 0.132 0.000 0.738 259 E HN 0.361 nan 8.360 nan 0.000 0.459 260 L N -0.540 120.591 121.223 -0.153 0.000 2.465 260 L HA 0.051 4.391 4.340 0.000 0.000 0.224 260 L C 1.554 178.463 176.870 0.065 0.000 1.145 260 L CA 0.529 55.309 54.840 -0.100 0.000 0.834 260 L CB -0.146 41.789 42.059 -0.207 0.000 0.944 260 L HN 0.399 nan 8.230 nan 0.000 0.451 261 G N 0.214 109.050 108.800 0.060 0.000 2.176 261 G HA2 -0.245 3.715 3.960 0.000 0.000 0.252 261 G HA3 -0.245 3.715 3.960 0.000 0.000 0.252 261 G C 0.147 175.133 174.900 0.145 0.000 1.024 261 G CA 0.212 45.374 45.100 0.103 0.000 0.755 261 G HN 0.132 nan 8.290 nan 0.000 0.507 262 V N 0.891 120.855 119.914 0.084 0.000 2.997 262 V HA 0.532 4.653 4.120 0.000 0.000 0.311 262 V C -0.114 175.999 176.094 0.032 0.000 1.066 262 V CA -0.700 61.621 62.300 0.034 0.000 1.039 262 V CB 1.695 33.493 31.823 -0.043 0.000 1.081 262 V HN 0.148 nan 8.190 nan 0.000 0.467 263 P HA 0.234 nan 4.420 nan 0.000 0.234 263 P C -0.109 177.182 177.300 -0.015 0.000 1.175 263 P CA 0.682 63.796 63.100 0.023 0.000 0.801 263 P CB 0.914 32.654 31.700 0.066 0.000 0.891 264 I N 0.054 120.613 120.570 -0.019 0.000 2.722 264 I HA 0.311 4.481 4.170 0.000 0.000 0.292 264 I C -1.069 174.998 176.117 -0.084 0.000 1.267 264 I CA -1.280 59.965 61.300 -0.093 0.000 1.036 264 I CB 2.494 40.390 38.000 -0.174 0.000 1.281 264 I HN -0.295 nan 8.210 nan 0.000 0.423 265 V N 4.498 124.352 119.914 -0.101 0.000 3.204 265 V HA 0.742 4.862 4.120 0.000 0.000 0.316 265 V C -0.411 175.638 176.094 -0.075 0.000 1.160 265 V CA -0.762 61.498 62.300 -0.066 0.000 1.044 265 V CB 1.845 33.662 31.823 -0.010 0.000 1.136 265 V HN 0.919 nan 8.190 nan 0.000 0.455 266 M N 0.838 120.446 119.600 0.013 0.000 2.631 266 M HA 0.817 5.297 4.480 0.000 0.000 0.288 266 M C -1.216 175.184 176.300 0.166 0.000 1.260 266 M CA -0.513 54.839 55.300 0.087 0.000 0.842 266 M CB 2.256 34.955 32.600 0.165 0.000 1.743 266 M HN 1.002 nan 8.290 nan 0.000 0.461 267 H N -0.490 118.615 119.070 0.058 0.000 2.974 267 H HA 0.470 5.026 4.556 0.000 0.000 0.366 267 H C -2.068 173.314 175.328 0.091 0.000 1.155 267 H CA -0.513 55.561 56.048 0.043 0.000 1.186 267 H CB 1.869 31.638 29.762 0.012 0.000 1.799 267 H HN 0.776 nan 8.280 nan 0.000 0.541 268 D N 4.573 124.735 120.400 -0.397 0.000 2.411 268 D HA 0.028 4.668 4.640 0.000 0.000 0.225 268 D C 0.573 176.562 176.300 -0.517 0.000 1.156 268 D CA -0.188 53.636 54.000 -0.295 0.000 0.874 268 D CB 0.144 40.809 40.800 -0.225 0.000 1.034 268 D HN 0.625 nan 8.370 nan 0.000 0.502 269 Y N 0.925 121.002 120.300 -0.372 0.000 2.395 269 Y HA 0.103 4.653 4.550 0.000 0.000 0.293 269 Y C 1.381 177.037 175.900 -0.407 0.000 1.123 269 Y CA 0.481 58.376 58.100 -0.342 0.000 1.227 269 Y CB -0.317 38.021 38.460 -0.203 0.000 1.012 269 Y HN 0.211 nan 8.280 nan 0.000 0.552 270 L N 0.511 121.275 121.223 -0.765 0.000 2.162 270 L HA -0.042 4.298 4.340 0.000 0.000 0.205 270 L C 2.601 179.261 176.870 -0.350 0.000 1.086 270 L CA 1.496 55.936 54.840 -0.668 0.000 0.778 270 L CB -0.724 40.939 42.059 -0.659 0.000 0.928 270 L HN 0.419 nan 8.230 nan 0.000 0.446 271 T N -3.197 111.190 114.554 -0.278 0.000 2.851 271 T HA -0.028 4.322 4.350 0.000 0.000 0.262 271 T C 1.968 176.572 174.700 -0.161 0.000 1.043 271 T CA 0.847 62.837 62.100 -0.183 0.000 1.140 271 T CB -0.789 67.992 68.868 -0.146 0.000 0.872 271 T HN 0.309 nan 8.240 nan 0.000 0.446 272 G N 1.692 110.362 108.800 -0.217 0.000 2.421 272 G HA2 0.360 4.320 3.960 0.000 0.000 0.216 272 G HA3 0.360 4.320 3.960 0.000 0.000 0.216 272 G C 0.928 175.810 174.900 -0.031 0.000 1.171 272 G CA 0.421 45.462 45.100 -0.098 0.000 0.775 272 G HN 1.317 nan 8.290 nan 0.000 0.543 273 G N -2.211 106.526 108.800 -0.106 0.000 2.619 273 G HA2 -0.018 3.942 3.960 0.000 0.000 0.686 273 G HA3 -0.018 3.942 3.960 0.000 0.000 0.686 273 G C 0.119 175.000 174.900 -0.031 0.000 1.256 273 G CA -0.085 44.954 45.100 -0.101 0.000 0.826 273 G HN 0.112 nan 8.290 nan 0.000 0.619 274 F N 0.628 120.635 119.950 0.095 0.000 2.149 274 F HA 0.051 4.578 4.527 0.000 0.000 0.294 274 F C 3.173 178.999 175.800 0.043 0.000 1.095 274 F CA 2.252 60.305 58.000 0.089 0.000 1.276 274 F CB -0.765 38.263 39.000 0.047 0.000 1.023 274 F HN 0.583 nan 8.300 nan 0.000 0.480 275 T N 0.237 114.916 114.554 0.209 0.000 2.597 275 T HA -0.317 4.034 4.350 0.000 0.000 0.267 275 T C 2.272 176.997 174.700 0.041 0.000 1.053 275 T CA 1.829 63.986 62.100 0.096 0.000 1.165 275 T CB -0.902 68.010 68.868 0.073 0.000 0.863 275 T HN 0.288 nan 8.240 nan 0.000 0.427 276 A N 1.934 124.779 122.820 0.041 0.000 1.902 276 A HA -0.179 4.141 4.320 0.000 0.000 0.217 276 A C 2.276 179.817 177.584 -0.073 0.000 1.181 276 A CA 1.827 53.858 52.037 -0.011 0.000 0.623 276 A CB -0.892 18.124 19.000 0.027 0.000 0.818 276 A HN 0.587 nan 8.150 nan 0.000 0.443 277 N N -0.587 118.132 118.700 0.032 0.000 2.149 277 N HA -0.145 4.595 4.740 0.000 0.000 0.188 277 N C 1.550 177.017 175.510 -0.071 0.000 1.019 277 N CA 1.996 55.039 53.050 -0.011 0.000 0.857 277 N CB -0.127 38.481 38.487 0.200 0.000 0.997 277 N HN 0.468 nan 8.380 nan 0.000 0.426 278 T N -0.251 114.270 114.554 -0.056 0.000 2.812 278 T HA -0.060 4.290 4.350 0.000 0.000 0.264 278 T C 1.847 176.286 174.700 -0.435 0.000 1.042 278 T CA 1.486 63.457 62.100 -0.214 0.000 1.140 278 T CB -0.620 68.157 68.868 -0.151 0.000 0.870 278 T HN 0.278 nan 8.240 nan 0.000 0.445 279 T N 2.495 116.893 114.554 -0.260 0.000 2.653 279 T HA -0.121 4.229 4.350 0.000 0.000 0.268 279 T C 1.857 176.487 174.700 -0.117 0.000 1.035 279 T CA 1.262 63.255 62.100 -0.178 0.000 1.154 279 T CB -0.478 68.328 68.868 -0.103 0.000 0.862 279 T HN 0.146 nan 8.240 nan 0.000 0.441 280 L N 0.647 121.780 121.223 -0.150 0.000 2.131 280 L HA 0.150 4.490 4.340 0.000 0.000 0.206 280 L C 2.571 179.440 176.870 -0.003 0.000 1.087 280 L CA 1.610 56.391 54.840 -0.098 0.000 0.767 280 L CB -0.922 40.974 42.059 -0.273 0.000 0.917 280 L HN 0.162 nan 8.230 nan 0.000 0.441 281 S N -1.101 114.565 115.700 -0.057 0.000 2.359 281 S HA -0.254 4.216 4.470 0.000 0.000 0.224 281 S C 2.079 176.759 174.600 0.133 0.000 1.035 281 S CA 1.531 59.737 58.200 0.010 0.000 1.018 281 S CB -0.418 62.775 63.200 -0.013 0.000 0.876 281 S HN 0.686 nan 8.310 nan 0.000 0.448 282 H N -0.741 118.332 119.070 0.005 0.000 2.352 282 H HA -0.052 4.505 4.556 0.000 0.000 0.299 282 H C 1.789 177.125 175.328 0.014 0.000 1.097 282 H CA 1.648 57.695 56.048 -0.002 0.000 1.311 282 H CB -1.108 28.658 29.762 0.007 0.000 1.377 282 H HN 0.651 nan 8.280 nan 0.000 0.504 283 Y N 0.514 120.859 120.300 0.075 0.000 2.181 283 Y HA -0.227 4.323 4.550 0.000 0.000 0.288 283 Y C 2.482 178.399 175.900 0.029 0.000 1.146 283 Y CA 1.292 59.413 58.100 0.035 0.000 1.164 283 Y CB -0.545 37.918 38.460 0.005 0.000 0.982 283 Y HN 0.147 nan 8.280 nan 0.000 0.515 284 C N 0.163 119.527 119.300 0.107 0.000 2.440 284 C HA -0.111 4.349 4.460 0.000 0.000 0.278 284 C C 2.745 177.720 174.990 -0.026 0.000 1.295 284 C CA 1.324 60.373 59.018 0.053 0.000 1.738 284 C CB -1.156 26.642 27.740 0.096 0.000 1.987 284 C HN 0.577 nan 8.230 nan 0.000 0.492 285 R N 2.047 122.493 120.500 -0.090 0.000 2.080 285 R HA -0.111 4.229 4.340 0.000 0.000 0.236 285 R C 1.476 177.698 176.300 -0.131 0.000 1.137 285 R CA 2.104 58.097 56.100 -0.179 0.000 0.943 285 R CB -1.037 29.168 30.300 -0.158 0.000 0.846 285 R HN 0.416 nan 8.270 nan 0.000 0.431 286 D N -0.198 120.113 120.400 -0.147 0.000 2.354 286 D HA -0.108 4.532 4.640 0.000 0.000 0.216 286 D C 0.405 176.577 176.300 -0.213 0.000 0.970 286 D CA 0.969 54.866 54.000 -0.172 0.000 0.905 286 D CB -0.031 40.657 40.800 -0.186 0.000 0.903 286 D HN 0.375 nan 8.370 nan 0.000 0.508 287 N N -1.288 117.268 118.700 -0.239 0.000 2.143 287 N HA 0.130 4.870 4.740 0.000 0.000 0.229 287 N C 0.802 176.280 175.510 -0.054 0.000 1.294 287 N CA 0.473 53.396 53.050 -0.211 0.000 0.883 287 N CB 1.966 40.183 38.487 -0.449 0.000 1.148 287 N HN 0.101 nan 8.380 nan 0.000 0.511 288 G N 1.562 110.393 108.800 0.053 0.000 2.147 288 G HA2 -0.256 3.704 3.960 0.000 0.000 0.244 288 G HA3 -0.256 3.704 3.960 0.000 0.000 0.244 288 G C -0.171 174.758 174.900 0.048 0.000 1.005 288 G CA -0.014 45.158 45.100 0.120 0.000 0.713 288 G HN 0.225 nan 8.290 nan 0.000 0.515 289 L N 0.626 121.927 121.223 0.131 0.000 2.275 289 L HA 0.521 4.861 4.340 0.000 0.000 0.288 289 L C 1.216 178.135 176.870 0.081 0.000 1.046 289 L CA -1.019 53.859 54.840 0.064 0.000 0.805 289 L CB 1.148 43.262 42.059 0.091 0.000 1.193 289 L HN 0.074 nan 8.230 nan 0.000 0.426 290 L N 4.035 125.202 121.223 -0.093 0.000 2.483 290 L HA 0.071 4.411 4.340 0.000 0.000 0.276 290 L C -0.243 176.550 176.870 -0.128 0.000 1.213 290 L CA -0.015 54.765 54.840 -0.100 0.000 0.843 290 L CB 0.396 42.326 42.059 -0.216 0.000 1.107 290 L HN 0.404 nan 8.230 nan 0.000 0.487 291 L N 3.201 124.333 121.223 -0.152 0.000 2.353 291 L HA 0.315 4.655 4.340 0.000 0.000 0.270 291 L C -0.413 176.275 176.870 -0.304 0.000 1.003 291 L CA -0.257 54.481 54.840 -0.170 0.000 0.862 291 L CB 0.794 42.811 42.059 -0.070 0.000 1.221 291 L HN 0.449 nan 8.230 nan 0.000 0.430 292 H N 5.055 123.804 119.070 -0.535 0.000 2.767 292 H HA 0.468 5.024 4.556 0.000 0.000 0.316 292 H C -0.666 174.549 175.328 -0.189 0.000 1.059 292 H CA -0.217 55.493 56.048 -0.563 0.000 1.461 292 H CB 0.602 29.759 29.762 -1.008 0.000 1.475 292 H HN 0.477 nan 8.280 nan 0.000 0.531 293 I N 5.921 126.190 120.570 -0.502 0.000 2.354 293 I HA 0.112 4.282 4.170 0.000 0.000 0.292 293 I C 0.145 176.161 176.117 -0.168 0.000 0.989 293 I CA -0.416 60.746 61.300 -0.231 0.000 1.188 293 I CB 0.964 38.810 38.000 -0.256 0.000 1.342 293 I HN 0.738 nan 8.210 nan 0.000 0.457 294 H N 7.550 126.602 119.070 -0.030 0.000 2.458 294 H HA 0.344 4.900 4.556 0.000 0.000 0.330 294 H C 0.267 175.585 175.328 -0.016 0.000 1.111 294 H CA -0.462 55.522 56.048 -0.108 0.000 1.245 294 H CB 1.475 31.189 29.762 -0.081 0.000 1.456 294 H HN 0.603 nan 8.280 nan 0.000 0.488 295 R N 3.111 123.417 120.500 -0.322 0.000 2.515 295 R HA 0.417 4.757 4.340 0.000 0.000 0.294 295 R C 0.172 176.478 176.300 0.011 0.000 1.021 295 R CA -0.419 55.669 56.100 -0.019 0.000 1.081 295 R CB -0.005 30.258 30.300 -0.061 0.000 1.263 295 R HN 0.392 nan 8.270 nan 0.000 0.557 296 A N 1.709 124.628 122.820 0.165 0.000 2.608 296 A HA -0.024 4.296 4.320 0.000 0.000 0.239 296 A C 0.974 178.564 177.584 0.010 0.000 1.018 296 A CA 1.141 53.276 52.037 0.164 0.000 0.766 296 A CB -0.222 18.870 19.000 0.153 0.000 0.928 296 A HN 0.858 nan 8.150 nan 0.000 0.512 297 M N 0.343 119.931 119.600 -0.021 0.000 3.007 297 M HA -0.293 4.187 4.480 0.000 0.000 0.210 297 M C 0.968 177.207 176.300 -0.101 0.000 0.585 297 M CA 1.893 57.142 55.300 -0.084 0.000 0.804 297 M CB -2.009 30.529 32.600 -0.105 0.000 2.870 297 M HN 1.269 nan 8.290 nan 0.000 0.297 298 H N -0.994 118.003 119.070 -0.121 0.000 2.389 298 H HA 0.331 4.888 4.556 0.000 0.000 0.299 298 H C 1.747 177.024 175.328 -0.084 0.000 1.081 298 H CA 1.761 57.758 56.048 -0.086 0.000 1.345 298 H CB -0.510 29.229 29.762 -0.038 0.000 1.393 298 H HN 0.461 nan 8.280 nan 0.000 0.520 299 A N 1.256 123.523 122.820 -0.922 0.000 2.121 299 A HA -0.029 4.291 4.320 0.000 0.000 0.218 299 A C 2.432 179.852 177.584 -0.272 0.000 1.154 299 A CA 1.101 52.778 52.037 -0.599 0.000 0.679 299 A CB -0.801 17.829 19.000 -0.618 0.000 0.795 299 A HN 0.362 nan 8.150 nan 0.000 0.458 300 V N -0.249 119.541 119.914 -0.206 0.000 2.343 300 V HA -0.264 3.856 4.120 0.000 0.000 0.247 300 V C 2.278 178.322 176.094 -0.083 0.000 1.051 300 V CA 2.237 64.465 62.300 -0.121 0.000 1.036 300 V CB -0.521 31.241 31.823 -0.101 0.000 0.654 300 V HN 0.620 nan 8.190 nan 0.000 0.451 301 I N 0.677 121.196 120.570 -0.085 0.000 2.585 301 I HA -0.052 4.118 4.170 0.000 0.000 0.254 301 I C 1.713 177.810 176.117 -0.034 0.000 1.129 301 I CA 1.244 62.510 61.300 -0.057 0.000 1.455 301 I CB -0.123 37.837 38.000 -0.067 0.000 1.111 301 I HN 0.475 nan 8.210 nan 0.000 0.433 302 D N -0.551 119.820 120.400 -0.049 0.000 2.431 302 D HA -0.029 4.611 4.640 0.000 0.000 0.213 302 D C 1.825 178.094 176.300 -0.050 0.000 1.130 302 D CA -0.036 53.944 54.000 -0.034 0.000 0.834 302 D CB 0.031 40.841 40.800 0.017 0.000 0.985 302 D HN -0.054 nan 8.370 nan 0.000 0.504 303 R N 0.230 120.697 120.500 -0.055 0.000 2.075 303 R HA 0.072 4.412 4.340 0.000 0.000 0.226 303 R C 0.391 176.698 176.300 0.011 0.000 1.114 303 R CA 1.166 57.239 56.100 -0.044 0.000 0.972 303 R CB -0.096 30.162 30.300 -0.071 0.000 0.869 303 R HN 0.040 nan 8.270 nan 0.000 0.437 304 Q N 0.437 120.258 119.800 0.036 0.000 2.235 304 Q HA 0.092 4.432 4.340 0.000 0.000 0.250 304 Q C 0.038 176.096 176.000 0.096 0.000 0.909 304 Q CA -0.058 55.783 55.803 0.064 0.000 0.910 304 Q CB 1.663 30.443 28.738 0.071 0.000 1.223 304 Q HN 0.133 nan 8.270 nan 0.000 0.432 305 K N 2.172 122.631 120.400 0.098 0.000 2.217 305 K HA -0.115 4.205 4.320 0.000 0.000 0.202 305 K C 1.210 177.873 176.600 0.106 0.000 1.051 305 K CA 1.242 57.596 56.287 0.111 0.000 0.952 305 K CB 0.348 32.907 32.500 0.097 0.000 0.736 305 K HN 0.567 nan 8.250 nan 0.000 0.453 306 N N -0.719 118.046 118.700 0.108 0.000 2.416 306 N HA -0.126 4.614 4.740 0.000 0.000 0.177 306 N C -0.217 175.397 175.510 0.173 0.000 1.036 306 N CA 0.838 53.958 53.050 0.117 0.000 0.901 306 N CB -0.000 38.551 38.487 0.107 0.000 0.976 306 N HN 0.227 nan 8.380 nan 0.000 0.444 307 H N -1.404 117.723 119.070 0.095 0.000 3.026 307 H HA 0.544 5.100 4.556 0.000 0.000 0.352 307 H C 0.110 175.531 175.328 0.156 0.000 1.090 307 H CA 0.344 56.477 56.048 0.142 0.000 1.268 307 H CB 1.389 31.220 29.762 0.114 0.000 1.816 307 H HN 0.329 nan 8.280 nan 0.000 0.518 308 G N 2.616 111.382 108.800 -0.057 0.000 2.250 308 G HA2 -0.006 3.954 3.960 0.000 0.000 0.196 308 G HA3 -0.006 3.954 3.960 0.000 0.000 0.196 308 G C -1.460 173.470 174.900 0.050 0.000 1.308 308 G CA -0.331 44.785 45.100 0.027 0.000 1.207 308 G HN 0.644 nan 8.290 nan 0.000 0.505 309 M N 0.772 120.369 119.600 -0.005 0.000 2.324 309 M HA 0.377 4.857 4.480 0.000 0.000 0.288 309 M C -0.396 175.926 176.300 0.037 0.000 1.097 309 M CA -0.789 54.503 55.300 -0.013 0.000 0.928 309 M CB 2.414 34.925 32.600 -0.148 0.000 1.648 309 M HN 0.760 nan 8.290 nan 0.000 0.460 310 H N 1.870 120.948 119.070 0.014 0.000 2.771 310 H HA 0.071 4.628 4.556 0.000 0.000 0.364 310 H C 0.169 175.552 175.328 0.092 0.000 1.133 310 H CA 0.805 56.898 56.048 0.075 0.000 1.423 310 H CB 0.860 30.663 29.762 0.068 0.000 1.425 310 H HN 0.791 nan 8.280 nan 0.000 0.606 311 F N 4.682 124.350 119.950 -0.470 0.000 2.202 311 F HA -0.223 4.304 4.527 0.000 0.000 0.301 311 F C 2.659 178.391 175.800 -0.114 0.000 1.082 311 F CA 1.829 59.668 58.000 -0.268 0.000 1.313 311 F CB -0.167 38.559 39.000 -0.456 0.000 1.024 311 F HN 0.687 nan 8.300 nan 0.000 0.495 312 R N -0.078 120.469 120.500 0.078 0.000 2.091 312 R HA -0.147 4.193 4.340 0.000 0.000 0.238 312 R C 1.832 178.096 176.300 -0.060 0.000 1.136 312 R CA 2.119 58.209 56.100 -0.016 0.000 0.959 312 R CB -1.553 28.911 30.300 0.273 0.000 0.856 312 R HN 0.276 nan 8.270 nan 0.000 0.437 313 V N 1.970 121.897 119.914 0.021 0.000 2.343 313 V HA -0.204 3.916 4.120 0.000 0.000 0.247 313 V C 2.523 178.667 176.094 0.085 0.000 1.051 313 V CA 1.685 64.014 62.300 0.049 0.000 1.036 313 V CB -0.454 31.389 31.823 0.034 0.000 0.654 313 V HN 0.305 nan 8.190 nan 0.000 0.451 314 L N -0.007 121.211 121.223 -0.009 0.000 2.156 314 L HA -0.075 4.265 4.340 0.000 0.000 0.208 314 L C 2.697 179.532 176.870 -0.059 0.000 1.095 314 L CA 1.317 56.233 54.840 0.126 0.000 0.770 314 L CB -0.767 41.363 42.059 0.119 0.000 0.914 314 L HN 0.355 nan 8.230 nan 0.000 0.439 315 A N 0.236 122.724 122.820 -0.552 0.000 1.930 315 A HA -0.175 4.145 4.320 0.000 0.000 0.217 315 A C 2.330 179.797 177.584 -0.195 0.000 1.175 315 A CA 1.355 53.073 52.037 -0.531 0.000 0.627 315 A CB -0.238 18.301 19.000 -0.768 0.000 0.815 315 A HN 0.279 nan 8.150 nan 0.000 0.443 316 K N -0.247 120.116 120.400 -0.063 0.000 2.057 316 K HA -0.032 4.288 4.320 0.000 0.000 0.206 316 K C 2.281 178.888 176.600 0.012 0.000 1.050 316 K CA 1.057 57.404 56.287 0.099 0.000 0.935 316 K CB -0.293 32.322 32.500 0.191 0.000 0.715 316 K HN 0.430 nan 8.250 nan 0.000 0.439 317 A N 1.739 124.548 122.820 -0.020 0.000 1.933 317 A HA -0.141 4.179 4.320 0.000 0.000 0.218 317 A C 2.032 179.575 177.584 -0.069 0.000 1.175 317 A CA 0.999 52.932 52.037 -0.173 0.000 0.628 317 A CB -0.509 18.328 19.000 -0.272 0.000 0.814 317 A HN 0.236 nan 8.150 nan 0.000 0.444 318 L N -0.399 120.830 121.223 0.011 0.000 2.056 318 L HA -0.117 4.223 4.340 0.000 0.000 0.207 318 L C 2.465 179.223 176.870 -0.187 0.000 1.078 318 L CA 2.229 56.979 54.840 -0.151 0.000 0.749 318 L CB -0.842 40.901 42.059 -0.526 0.000 0.901 318 L HN 0.524 nan 8.230 nan 0.000 0.433 319 R N -0.363 120.009 120.500 -0.213 0.000 2.091 319 R HA -0.186 4.154 4.340 0.000 0.000 0.238 319 R C 2.425 178.602 176.300 -0.206 0.000 1.136 319 R CA 1.549 57.485 56.100 -0.274 0.000 0.959 319 R CB -0.150 29.850 30.300 -0.499 0.000 0.856 319 R HN 0.397 nan 8.270 nan 0.000 0.437 320 L N -0.620 120.474 121.223 -0.214 0.000 1.976 320 L HA -0.183 4.157 4.340 0.000 0.000 0.209 320 L C 2.662 179.474 176.870 -0.096 0.000 1.071 320 L CA 1.637 56.261 54.840 -0.359 0.000 0.746 320 L CB -0.712 40.774 42.059 -0.954 0.000 0.890 320 L HN 0.270 nan 8.230 nan 0.000 0.432 321 S N -0.921 114.755 115.700 -0.041 0.000 2.353 321 S HA -0.006 4.464 4.470 0.000 0.000 0.222 321 S C 0.821 175.461 174.600 0.068 0.000 1.035 321 S CA 1.206 59.471 58.200 0.109 0.000 1.025 321 S CB -0.276 63.045 63.200 0.203 0.000 0.902 321 S HN 0.630 nan 8.310 nan 0.000 0.440 322 G N -1.685 107.108 108.800 -0.012 0.000 2.760 322 G HA2 0.445 4.405 3.960 0.000 0.000 0.540 322 G HA3 0.445 4.405 3.960 0.000 0.000 0.540 322 G C -0.395 174.451 174.900 -0.091 0.000 1.476 322 G CA -0.394 44.681 45.100 -0.041 0.000 0.949 322 G HN 1.036 nan 8.290 nan 0.000 0.633 323 G N 0.280 109.007 108.800 -0.121 0.000 2.616 323 G HA2 0.591 4.551 3.960 0.000 0.000 0.294 323 G HA3 0.591 4.551 3.960 0.000 0.000 0.294 323 G C -0.191 174.640 174.900 -0.116 0.000 1.489 323 G CA 0.110 45.130 45.100 -0.132 0.000 0.836 323 G HN 0.359 nan 8.290 nan 0.000 0.527 324 D N -0.475 119.864 120.400 -0.101 0.000 2.305 324 D HA 0.092 4.732 4.640 0.000 0.000 0.206 324 D C 0.324 176.662 176.300 0.063 0.000 0.974 324 D CA 1.065 55.046 54.000 -0.032 0.000 0.871 324 D CB 0.303 41.084 40.800 -0.031 0.000 0.947 324 D HN 0.556 nan 8.370 nan 0.000 0.516 325 H N -0.761 118.183 119.070 -0.209 0.000 2.768 325 H HA 0.603 5.159 4.556 0.000 0.000 0.371 325 H C -0.775 174.355 175.328 -0.331 0.000 1.151 325 H CA -0.793 55.098 56.048 -0.262 0.000 1.165 325 H CB 3.015 32.591 29.762 -0.310 0.000 1.722 325 H HN -0.140 nan 8.280 nan 0.000 0.543 326 I N 1.555 122.043 120.570 -0.137 0.000 2.722 326 I HA 0.174 4.344 4.170 0.000 0.000 0.295 326 I C -0.569 175.507 176.117 -0.070 0.000 1.161 326 I CA -0.652 60.568 61.300 -0.134 0.000 1.032 326 I CB 2.102 40.037 38.000 -0.108 0.000 1.244 326 I HN 0.685 nan 8.210 nan 0.000 0.421 327 H N 4.674 123.634 119.070 -0.183 0.000 2.886 327 H HA 0.100 4.657 4.556 0.000 0.000 0.329 327 H C 0.504 175.760 175.328 -0.119 0.000 1.044 327 H CA 0.632 56.572 56.048 -0.180 0.000 1.456 327 H CB 1.126 30.715 29.762 -0.287 0.000 1.464 327 H HN 0.662 nan 8.280 nan 0.000 0.573 328 S N 1.770 117.467 115.700 -0.004 0.000 2.559 328 S HA 0.317 4.787 4.470 0.000 0.000 0.226 328 S C 0.965 175.683 174.600 0.196 0.000 1.030 328 S CA 0.133 58.459 58.200 0.210 0.000 0.956 328 S CB 1.246 64.637 63.200 0.318 0.000 0.900 328 S HN 1.058 nan 8.310 nan 0.000 0.510 329 G N 0.998 109.808 108.800 0.017 0.000 2.603 329 G HA2 0.019 3.979 3.960 0.000 0.000 0.686 329 G HA3 0.019 3.979 3.960 0.000 0.000 0.686 329 G C 0.191 175.132 174.900 0.068 0.000 1.286 329 G CA 0.137 45.257 45.100 0.032 0.000 0.871 329 G HN 0.899 nan 8.290 nan 0.000 0.568 330 T N -2.940 111.640 114.554 0.043 0.000 2.975 330 T HA 0.460 4.810 4.350 0.000 0.000 0.257 330 T C 1.894 176.664 174.700 0.116 0.000 1.003 330 T CA 1.341 63.482 62.100 0.069 0.000 0.932 330 T CB 0.447 69.248 68.868 -0.113 0.000 1.087 330 T HN 2.252 nan 8.240 nan 0.000 0.512 331 V N 1.070 121.027 119.914 0.071 0.000 0.524 331 V HA -0.352 3.768 4.120 0.000 0.000 0.092 331 V C 2.182 178.288 176.094 0.019 0.000 2.204 331 V CA 2.209 64.530 62.300 0.036 0.000 3.556 331 V CB -2.028 29.798 31.823 0.004 0.000 0.846 331 V HN 0.704 nan 8.190 nan 0.000 0.884 332 V N -1.028 118.875 119.914 -0.017 0.000 3.541 332 V HA 0.591 4.711 4.120 0.000 0.000 0.267 332 V C 1.312 177.348 176.094 -0.096 0.000 1.213 332 V CA 1.583 63.869 62.300 -0.022 0.000 1.149 332 V CB -0.265 31.541 31.823 -0.029 0.000 0.822 332 V HN 0.927 nan 8.190 nan 0.000 0.462 333 G N 1.270 109.946 108.800 -0.206 0.000 2.773 333 G HA2 0.273 4.233 3.960 0.000 0.000 0.186 333 G HA3 0.273 4.233 3.960 0.000 0.000 0.186 333 G C 0.769 175.390 174.900 -0.465 0.000 1.411 333 G CA 0.086 44.981 45.100 -0.342 0.000 1.054 333 G HN 0.454 nan 8.290 nan 0.000 0.579 334 K N -1.031 118.894 120.400 -0.792 0.000 2.365 334 K HA 0.203 4.524 4.320 0.000 0.000 0.197 334 K C 0.271 176.674 176.600 -0.329 0.000 1.042 334 K CA 0.341 56.115 56.287 -0.854 0.000 0.987 334 K CB -0.196 31.764 32.500 -0.901 0.000 0.779 334 K HN 0.242 nan 8.250 nan 0.000 0.484 335 L N 1.458 122.547 121.223 -0.224 0.000 2.322 335 L HA 0.364 4.704 4.340 0.000 0.000 0.269 335 L C -0.121 176.709 176.870 -0.065 0.000 1.012 335 L CA -1.146 53.617 54.840 -0.129 0.000 0.815 335 L CB 1.818 43.813 42.059 -0.107 0.000 1.295 335 L HN 0.075 nan 8.230 nan 0.000 0.438 336 E N 0.467 120.643 120.200 -0.040 0.000 2.373 336 E HA 0.467 4.817 4.350 0.000 0.000 0.267 336 E C -0.427 176.198 176.600 0.041 0.000 1.032 336 E CA -0.046 56.359 56.400 0.008 0.000 0.889 336 E CB 0.933 30.636 29.700 0.006 0.000 0.984 336 E HN 0.750 nan 8.360 nan 0.000 0.425 337 G N 3.870 112.712 108.800 0.069 0.000 1.984 337 G HA2 0.038 3.998 3.960 0.000 0.000 0.313 337 G HA3 0.038 3.998 3.960 0.000 0.000 0.313 337 G C -1.211 173.740 174.900 0.086 0.000 1.632 337 G CA -0.741 44.424 45.100 0.108 0.000 0.963 337 G HN 0.376 nan 8.290 nan 0.000 0.595 338 E N 1.699 121.958 120.200 0.097 0.000 2.313 338 E HA 0.193 4.543 4.350 0.000 0.000 0.276 338 E C 1.377 177.982 176.600 0.008 0.000 1.031 338 E CA -0.648 55.788 56.400 0.061 0.000 0.857 338 E CB 2.102 31.850 29.700 0.080 0.000 1.040 338 E HN 0.648 nan 8.360 nan 0.000 0.408 339 R N 2.341 122.828 120.500 -0.022 0.000 2.094 339 R HA -0.206 4.134 4.340 0.000 0.000 0.239 339 R C 0.767 177.003 176.300 -0.106 0.000 1.137 339 R CA 1.982 58.035 56.100 -0.079 0.000 0.943 339 R CB 0.156 30.417 30.300 -0.065 0.000 0.850 339 R HN 0.442 nan 8.270 nan 0.000 0.433 340 D N 0.093 120.454 120.400 -0.064 0.000 2.123 340 D HA -0.097 4.543 4.640 0.000 0.000 0.200 340 D C 1.986 178.242 176.300 -0.073 0.000 0.976 340 D CA 1.042 55.002 54.000 -0.067 0.000 0.831 340 D CB -0.176 40.603 40.800 -0.034 0.000 0.974 340 D HN 0.316 nan 8.370 nan 0.000 0.469 341 I N 0.901 121.455 120.570 -0.027 0.000 2.286 341 I HA -0.244 3.926 4.170 0.000 0.000 0.248 341 I C 2.217 178.212 176.117 -0.204 0.000 1.115 341 I CA 1.046 62.359 61.300 0.022 0.000 1.392 341 I CB -0.180 37.935 38.000 0.192 0.000 1.065 341 I HN -0.019 nan 8.210 nan 0.000 0.418 342 T N 0.792 115.121 114.554 -0.375 0.000 2.770 342 T HA -0.082 4.268 4.350 0.000 0.000 0.263 342 T C 1.851 176.112 174.700 -0.731 0.000 1.039 342 T CA 0.864 62.434 62.100 -0.883 0.000 1.142 342 T CB -0.124 68.503 68.868 -0.401 0.000 0.868 342 T HN 0.053 nan 8.240 nan 0.000 0.435 343 L N 1.498 122.491 121.223 -0.384 0.000 2.042 343 L HA 0.023 4.363 4.340 0.000 0.000 0.210 343 L C 2.778 179.545 176.870 -0.172 0.000 1.076 343 L CA 1.737 56.426 54.840 -0.252 0.000 0.749 343 L CB -1.666 40.282 42.059 -0.186 0.000 0.893 343 L HN 0.357 nan 8.230 nan 0.000 0.432 344 G N -0.148 108.566 108.800 -0.144 0.000 2.491 344 G HA2 -0.351 3.609 3.960 0.000 0.000 0.218 344 G HA3 -0.351 3.609 3.960 0.000 0.000 0.218 344 G C 1.386 176.323 174.900 0.063 0.000 1.180 344 G CA 1.204 46.287 45.100 -0.028 0.000 0.774 344 G HN 0.490 nan 8.290 nan 0.000 0.562 345 F N 0.343 120.369 119.950 0.127 0.000 2.615 345 F HA 0.318 4.845 4.527 0.000 0.000 0.297 345 F C 2.171 178.045 175.800 0.124 0.000 1.124 345 F CA -0.121 57.964 58.000 0.141 0.000 1.451 345 F CB -0.801 38.315 39.000 0.194 0.000 1.103 345 F HN -0.009 nan 8.300 nan 0.000 0.569 346 V N 1.434 121.409 119.914 0.102 0.000 2.343 346 V HA -0.266 3.854 4.120 0.000 0.000 0.247 346 V C 2.116 178.277 176.094 0.112 0.000 1.051 346 V CA 2.364 64.755 62.300 0.152 0.000 1.036 346 V CB -0.665 31.210 31.823 0.086 0.000 0.654 346 V HN 0.246 nan 8.190 nan 0.000 0.451 347 D N 0.074 120.519 120.400 0.076 0.000 2.144 347 D HA -0.106 4.534 4.640 0.000 0.000 0.199 347 D C 2.096 178.467 176.300 0.118 0.000 0.984 347 D CA 1.069 55.117 54.000 0.080 0.000 0.834 347 D CB -0.276 40.561 40.800 0.062 0.000 0.955 347 D HN 0.339 nan 8.370 nan 0.000 0.465 348 L N 0.057 121.382 121.223 0.171 0.000 2.265 348 L HA -0.122 4.218 4.340 0.000 0.000 0.215 348 L C 2.260 179.184 176.870 0.089 0.000 1.117 348 L CA 0.527 55.514 54.840 0.247 0.000 0.782 348 L CB -0.154 42.083 42.059 0.296 0.000 0.914 348 L HN 0.056 nan 8.230 nan 0.000 0.441 349 L N -1.326 119.907 121.223 0.017 0.000 2.298 349 L HA 0.007 4.347 4.340 0.000 0.000 0.209 349 L C 2.570 179.326 176.870 -0.191 0.000 1.084 349 L CA 0.563 55.324 54.840 -0.131 0.000 0.816 349 L CB -0.100 41.954 42.059 -0.007 0.000 0.967 349 L HN 0.115 nan 8.230 nan 0.000 0.460 350 R N -0.878 119.574 120.500 -0.081 0.000 2.189 350 R HA 0.097 4.437 4.340 0.000 0.000 0.203 350 R C -0.247 176.022 176.300 -0.052 0.000 1.012 350 R CA 0.221 56.285 56.100 -0.060 0.000 1.015 350 R CB 0.251 30.556 30.300 0.007 0.000 0.938 350 R HN 0.208 nan 8.270 nan 0.000 0.472 351 D N -0.199 120.192 120.400 -0.014 0.000 2.326 351 D HA 0.040 4.680 4.640 0.000 0.000 0.248 351 D C 0.052 176.442 176.300 0.150 0.000 1.001 351 D CA -0.379 53.668 54.000 0.077 0.000 0.961 351 D CB 1.554 42.430 40.800 0.127 0.000 1.183 351 D HN -0.182 nan 8.370 nan 0.000 0.502 352 D N -0.944 119.586 120.400 0.218 0.000 2.277 352 D HA -0.083 4.557 4.640 0.000 0.000 0.208 352 D C -0.663 175.920 176.300 0.471 0.000 0.962 352 D CA 0.681 54.878 54.000 0.327 0.000 0.865 352 D CB 0.262 41.194 40.800 0.220 0.000 0.939 352 D HN 0.288 nan 8.370 nan 0.000 0.510 353 Y N -0.681 119.760 120.300 0.234 0.000 2.442 353 Y HA 0.417 4.967 4.550 0.000 0.000 0.330 353 Y C -1.624 174.365 175.900 0.147 0.000 1.100 353 Y CA -0.773 57.425 58.100 0.163 0.000 1.034 353 Y CB 1.739 40.257 38.460 0.097 0.000 1.285 353 Y HN -0.304 nan 8.280 nan 0.000 0.440 354 T N 5.484 119.772 114.554 -0.444 0.000 2.937 354 T HA 0.239 4.589 4.350 0.000 0.000 0.297 354 T C -1.085 173.344 174.700 -0.451 0.000 0.991 354 T CA -0.756 61.167 62.100 -0.296 0.000 0.990 354 T CB 1.504 70.355 68.868 -0.027 0.000 0.991 354 T HN 0.653 nan 8.240 nan 0.000 0.440 355 E N 2.176 122.172 120.200 -0.340 0.000 2.331 355 E HA 0.200 4.550 4.350 0.000 0.000 0.272 355 E C 0.200 176.747 176.600 -0.088 0.000 1.036 355 E CA -0.684 55.585 56.400 -0.218 0.000 0.864 355 E CB 0.727 30.388 29.700 -0.065 0.000 1.035 355 E HN 0.438 nan 8.360 nan 0.000 0.408 356 K N 2.792 123.166 120.400 -0.044 0.000 2.513 356 K HA -0.189 4.131 4.320 0.000 0.000 0.275 356 K C -0.965 175.612 176.600 -0.039 0.000 1.025 356 K CA 0.918 57.193 56.287 -0.020 0.000 1.125 356 K CB 0.224 32.721 32.500 -0.006 0.000 0.843 356 K HN 0.372 nan 8.250 nan 0.000 0.486 357 D N 4.149 124.516 120.400 -0.055 0.000 2.445 357 D HA 0.150 4.790 4.640 0.000 0.000 0.236 357 D C 0.275 176.513 176.300 -0.103 0.000 1.315 357 D CA -0.499 53.464 54.000 -0.063 0.000 0.924 357 D CB 0.540 41.319 40.800 -0.037 0.000 1.447 357 D HN 0.485 nan 8.370 nan 0.000 0.532 358 R N 0.737 121.145 120.500 -0.153 0.000 2.152 358 R HA -0.073 4.267 4.340 0.000 0.000 0.232 358 R C 1.879 178.084 176.300 -0.158 0.000 1.117 358 R CA 1.231 57.187 56.100 -0.240 0.000 0.981 358 R CB -0.556 29.585 30.300 -0.265 0.000 0.870 358 R HN 0.518 nan 8.270 nan 0.000 0.451 359 S N 0.364 116.006 115.700 -0.096 0.000 2.442 359 S HA -0.085 4.385 4.470 0.000 0.000 0.236 359 S C 1.560 176.131 174.600 -0.047 0.000 1.007 359 S CA 0.744 58.907 58.200 -0.061 0.000 0.965 359 S CB -0.058 63.116 63.200 -0.044 0.000 0.773 359 S HN 0.286 nan 8.310 nan 0.000 0.504 360 R N 0.393 120.865 120.500 -0.048 0.000 2.468 360 R HA 0.327 4.667 4.340 0.000 0.000 0.280 360 R C 1.233 177.529 176.300 -0.007 0.000 0.963 360 R CA 0.312 56.396 56.100 -0.026 0.000 1.083 360 R CB 0.206 30.490 30.300 -0.027 0.000 1.200 360 R HN 0.540 nan 8.270 nan 0.000 0.541 361 G N 1.751 110.528 108.800 -0.038 0.000 2.148 361 G HA2 -0.276 3.684 3.960 0.000 0.000 0.254 361 G HA3 -0.276 3.684 3.960 0.000 0.000 0.254 361 G C 0.146 175.098 174.900 0.087 0.000 0.981 361 G CA -0.153 44.948 45.100 0.002 0.000 0.670 361 G HN 0.290 nan 8.290 nan 0.000 0.528 362 I N 0.890 121.471 120.570 0.017 0.000 2.294 362 I HA 0.298 4.468 4.170 0.000 0.000 0.295 362 I C 1.306 177.434 176.117 0.017 0.000 1.098 362 I CA -0.863 60.488 61.300 0.086 0.000 1.277 362 I CB 0.396 38.428 38.000 0.054 0.000 1.434 362 I HN 0.066 nan 8.210 nan 0.000 0.498 363 Y N 5.358 125.592 120.300 -0.110 0.000 2.475 363 Y HA 0.148 4.698 4.550 0.000 0.000 0.289 363 Y C 0.226 175.883 175.900 -0.405 0.000 1.121 363 Y CA 0.477 58.397 58.100 -0.299 0.000 1.257 363 Y CB -0.066 38.085 38.460 -0.515 0.000 1.026 363 Y HN 0.308 nan 8.280 nan 0.000 0.555 364 F N -1.882 118.186 119.950 0.197 0.000 2.588 364 F HA 0.367 4.894 4.527 0.000 0.000 0.310 364 F C 0.152 175.960 175.800 0.014 0.000 1.082 364 F CA -1.674 56.394 58.000 0.113 0.000 0.929 364 F CB 1.086 40.154 39.000 0.113 0.000 1.254 364 F HN -0.504 nan 8.300 nan 0.000 0.455 365 T N 1.965 116.623 114.554 0.174 0.000 2.870 365 T HA 0.312 4.662 4.350 0.000 0.000 0.300 365 T C -0.524 174.145 174.700 -0.051 0.000 0.989 365 T CA 0.003 62.096 62.100 -0.012 0.000 1.139 365 T CB 0.694 69.548 68.868 -0.022 0.000 0.920 365 T HN 0.474 nan 8.240 nan 0.000 0.537 366 Q N 2.099 121.796 119.800 -0.171 0.000 2.323 366 Q HA 0.544 4.884 4.340 0.000 0.000 0.271 366 Q C -1.280 174.539 176.000 -0.302 0.000 1.048 366 Q CA -0.408 55.249 55.803 -0.244 0.000 0.792 366 Q CB 1.654 30.258 28.738 -0.223 0.000 1.280 366 Q HN 0.570 nan 8.270 nan 0.000 0.441 367 S N 3.104 118.612 115.700 -0.320 0.000 2.532 367 S HA 0.474 4.945 4.470 0.000 0.000 0.301 367 S C -0.810 173.564 174.600 -0.376 0.000 1.083 367 S CA -0.500 57.609 58.200 -0.152 0.000 1.025 367 S CB 0.571 63.801 63.200 0.051 0.000 1.056 367 S HN 0.820 nan 8.310 nan 0.000 0.494 368 W N 1.151 122.495 121.300 0.073 0.000 3.008 368 W HA 0.214 4.874 4.660 0.000 0.000 0.355 368 W C 0.607 177.146 176.519 0.032 0.000 1.095 368 W CA -0.483 56.883 57.345 0.034 0.000 1.738 368 W CB -0.087 29.387 29.460 0.023 0.000 1.091 368 W HN 0.600 nan 8.180 nan 0.000 0.574 369 V N -0.166 119.866 119.914 0.198 0.000 5.482 369 V HA -0.398 3.722 4.120 0.000 0.000 0.262 369 V C 0.757 176.933 176.094 0.136 0.000 0.664 369 V CA 0.770 63.150 62.300 0.133 0.000 0.609 369 V CB -2.496 29.378 31.823 0.085 0.000 0.306 369 V HN 0.475 nan 8.190 nan 0.000 0.731 370 S N -2.065 113.728 115.700 0.155 0.000 3.127 370 S HA -0.223 4.247 4.470 0.000 0.000 0.281 370 S C 0.732 175.391 174.600 0.098 0.000 1.293 370 S CA 1.334 59.602 58.200 0.112 0.000 1.156 370 S CB -1.785 61.458 63.200 0.073 0.000 1.389 370 S HN 1.696 nan 8.310 nan 0.000 0.672 371 T N 3.680 118.320 114.554 0.143 0.000 2.819 371 T HA 0.174 4.524 4.350 0.000 0.000 0.282 371 T C -1.827 172.858 174.700 -0.024 0.000 1.013 371 T CA -0.118 62.027 62.100 0.074 0.000 1.159 371 T CB -0.079 68.876 68.868 0.144 0.000 1.007 371 T HN 0.169 nan 8.240 nan 0.000 0.514 372 P HA 0.196 nan 4.420 nan 0.000 0.266 372 P C 0.472 177.690 177.300 -0.137 0.000 1.193 372 P CA -0.119 62.945 63.100 -0.061 0.000 0.770 372 P CB 0.378 32.051 31.700 -0.045 0.000 0.836 373 G N 0.988 109.723 108.800 -0.109 0.000 2.448 373 G HA2 0.449 4.409 3.960 0.000 0.000 0.285 373 G HA3 0.449 4.409 3.960 0.000 0.000 0.285 373 G C -0.778 174.054 174.900 -0.113 0.000 1.176 373 G CA -0.458 44.552 45.100 -0.150 0.000 0.852 373 G HN 0.349 nan 8.290 nan 0.000 0.530 374 V N 2.339 122.169 119.914 -0.141 0.000 2.407 374 V HA 0.195 4.315 4.120 0.000 0.000 0.278 374 V C 0.164 176.224 176.094 -0.056 0.000 1.037 374 V CA -0.884 61.358 62.300 -0.097 0.000 0.900 374 V CB 1.323 33.060 31.823 -0.143 0.000 0.983 374 V HN 0.548 nan 8.190 nan 0.000 0.459 375 L N 9.264 130.467 121.223 -0.034 0.000 2.418 375 L HA 0.350 4.690 4.340 0.000 0.000 0.274 375 L C -1.923 174.877 176.870 -0.117 0.000 1.135 375 L CA -1.394 53.401 54.840 -0.074 0.000 0.870 375 L CB 0.582 42.572 42.059 -0.116 0.000 1.154 375 L HN 0.458 nan 8.230 nan 0.000 0.462 376 P HA 0.131 nan 4.420 nan 0.000 0.280 376 P C -1.115 176.015 177.300 -0.284 0.000 1.244 376 P CA -0.232 62.802 63.100 -0.110 0.000 0.784 376 P CB 1.261 32.973 31.700 0.020 0.000 0.913 377 V N 3.004 122.721 119.914 -0.328 0.000 2.409 377 V HA 0.528 4.648 4.120 0.000 0.000 0.291 377 V C 0.429 176.208 176.094 -0.526 0.000 1.020 377 V CA -0.796 61.232 62.300 -0.452 0.000 0.848 377 V CB 1.303 32.825 31.823 -0.500 0.000 0.990 377 V HN 0.686 nan 8.190 nan 0.000 0.430 378 A N 3.968 126.436 122.820 -0.586 0.000 2.260 378 A HA 0.846 5.167 4.320 0.000 0.000 0.308 378 A C 0.033 177.364 177.584 -0.422 0.000 1.254 378 A CA -0.232 51.482 52.037 -0.539 0.000 0.874 378 A CB 1.041 19.616 19.000 -0.709 0.000 1.153 378 A HN 1.001 nan 8.150 nan 0.000 0.527 379 S N 1.793 117.308 115.700 -0.308 0.000 2.537 379 S HA 0.743 5.213 4.470 0.000 0.000 0.271 379 S C -0.484 174.008 174.600 -0.179 0.000 1.148 379 S CA 0.455 58.502 58.200 -0.255 0.000 0.868 379 S CB 1.294 64.409 63.200 -0.142 0.000 1.115 379 S HN 2.634 nan 8.310 nan 0.000 0.461 380 G N 1.194 109.873 108.800 -0.202 0.000 2.730 380 G HA2 0.458 4.418 3.960 0.000 0.000 0.644 380 G HA3 0.458 4.418 3.960 0.000 0.000 0.644 380 G C 0.898 175.633 174.900 -0.275 0.000 1.168 380 G CA 0.396 45.389 45.100 -0.177 0.000 1.240 380 G HN 2.318 nan 8.290 nan 0.000 0.551 381 G N -0.018 108.642 108.800 -0.233 0.000 2.142 381 G HA2 0.031 3.991 3.960 0.000 0.000 0.225 381 G HA3 0.031 3.991 3.960 0.000 0.000 0.225 381 G C 0.500 175.351 174.900 -0.082 0.000 1.015 381 G CA 0.617 45.565 45.100 -0.253 0.000 0.716 381 G HN 2.212 nan 8.290 nan 0.000 0.508 382 I N -2.051 118.456 120.570 -0.106 0.000 2.707 382 I HA 0.993 5.163 4.170 0.000 0.000 0.309 382 I C 0.199 176.525 176.117 0.349 0.000 1.001 382 I CA -1.436 59.862 61.300 -0.003 0.000 1.129 382 I CB 1.769 39.597 38.000 -0.286 0.000 1.308 382 I HN 0.334 nan 8.210 nan 0.000 0.466 383 H N 0.550 119.989 119.070 0.616 0.000 2.928 383 H HA 0.432 4.988 4.556 0.000 0.000 0.285 383 H C 0.630 176.038 175.328 0.133 0.000 1.438 383 H CA -0.422 55.732 56.048 0.176 0.000 1.176 383 H CB 0.543 30.125 29.762 -0.299 0.000 1.864 383 H HN 0.368 nan 8.280 nan 0.000 0.567 384 V N -2.734 117.227 119.914 0.078 0.000 2.317 384 V HA -0.284 3.836 4.120 0.000 0.000 0.251 384 V C 1.330 177.386 176.094 -0.063 0.000 1.065 384 V CA 1.999 64.232 62.300 -0.112 0.000 1.049 384 V CB -1.246 30.432 31.823 -0.241 0.000 0.651 384 V HN 0.792 nan 8.190 nan 0.000 0.450 385 W N -0.286 121.111 121.300 0.162 0.000 2.465 385 W HA 0.051 4.711 4.660 0.000 0.000 0.268 385 W C 2.599 179.059 176.519 -0.099 0.000 1.242 385 W CA 1.041 58.400 57.345 0.023 0.000 1.248 385 W CB -0.457 29.044 29.460 0.069 0.000 1.118 385 W HN 0.359 nan 8.180 nan 0.000 0.587 386 H N -0.671 118.467 119.070 0.114 0.000 2.555 386 H HA -0.011 4.545 4.556 0.000 0.000 0.269 386 H C 1.851 177.252 175.328 0.121 0.000 0.988 386 H CA 0.945 57.036 56.048 0.071 0.000 1.178 386 H CB -0.294 29.457 29.762 -0.018 0.000 1.373 386 H HN 0.193 nan 8.280 nan 0.000 0.588 387 M N 1.379 121.104 119.600 0.209 0.000 2.080 387 M HA -0.054 4.426 4.480 0.000 0.000 0.260 387 M C -0.889 175.501 176.300 0.149 0.000 1.068 387 M CA 1.447 56.850 55.300 0.172 0.000 1.109 387 M CB -0.875 31.763 32.600 0.063 0.000 1.342 387 M HN 0.056 nan 8.290 nan 0.000 0.405 388 P HA -0.120 nan 4.420 nan 0.000 0.215 388 P C 1.101 178.469 177.300 0.114 0.000 1.157 388 P CA 2.316 65.482 63.100 0.111 0.000 0.874 388 P CB -0.337 31.430 31.700 0.112 0.000 0.790 389 A N -0.943 121.957 122.820 0.134 0.000 1.930 389 A HA -0.137 4.183 4.320 0.000 0.000 0.217 389 A C 2.247 179.896 177.584 0.109 0.000 1.175 389 A CA 1.318 53.421 52.037 0.111 0.000 0.627 389 A CB -1.627 17.450 19.000 0.128 0.000 0.815 389 A HN 0.093 nan 8.150 nan 0.000 0.443 390 L N -0.704 120.619 121.223 0.168 0.000 2.017 390 L HA -0.179 4.161 4.340 0.000 0.000 0.208 390 L C 2.810 179.823 176.870 0.240 0.000 1.073 390 L CA 1.873 56.859 54.840 0.243 0.000 0.745 390 L CB -1.019 41.183 42.059 0.238 0.000 0.894 390 L HN 0.333 nan 8.230 nan 0.000 0.432 391 T N -1.138 113.518 114.554 0.171 0.000 2.759 391 T HA -0.222 4.128 4.350 0.000 0.000 0.269 391 T C 1.841 176.598 174.700 0.094 0.000 1.042 391 T CA 1.345 63.526 62.100 0.135 0.000 1.140 391 T CB -0.188 68.743 68.868 0.104 0.000 0.864 391 T HN 0.305 nan 8.240 nan 0.000 0.455 392 E N 0.836 121.075 120.200 0.064 0.000 2.106 392 E HA -0.069 4.281 4.350 0.000 0.000 0.192 392 E C 2.159 178.735 176.600 -0.039 0.000 0.984 392 E CA 0.893 57.305 56.400 0.020 0.000 0.806 392 E CB -0.195 29.517 29.700 0.018 0.000 0.750 392 E HN 0.515 nan 8.360 nan 0.000 0.458 393 I N -0.523 119.989 120.570 -0.097 0.000 2.233 393 I HA -0.207 3.963 4.170 0.000 0.000 0.243 393 I C 1.852 177.717 176.117 -0.420 0.000 1.093 393 I CA 0.947 62.048 61.300 -0.333 0.000 1.380 393 I CB -0.138 37.529 38.000 -0.554 0.000 1.067 393 I HN 0.016 nan 8.210 nan 0.000 0.413 394 F N 0.198 120.144 119.950 -0.007 0.000 2.559 394 F HA 0.361 4.888 4.527 0.000 0.000 0.286 394 F C 1.600 177.400 175.800 0.000 0.000 1.108 394 F CA 0.581 58.574 58.000 -0.011 0.000 1.436 394 F CB -0.582 38.407 39.000 -0.018 0.000 1.130 394 F HN 0.118 nan 8.300 nan 0.000 0.584 395 G N 0.762 109.652 108.800 0.151 0.000 2.698 395 G HA2 -0.291 3.669 3.960 0.000 0.000 0.233 395 G HA3 -0.291 3.669 3.960 0.000 0.000 0.233 395 G C 0.259 175.226 174.900 0.112 0.000 1.352 395 G CA 0.084 45.247 45.100 0.105 0.000 0.879 395 G HN 0.140 nan 8.290 nan 0.000 0.567 396 D N 0.495 120.945 120.400 0.082 0.000 2.117 396 D HA 0.005 4.645 4.640 0.000 0.000 0.197 396 D C 1.054 177.392 176.300 0.063 0.000 0.987 396 D CA 1.556 55.598 54.000 0.071 0.000 0.829 396 D CB -0.155 40.685 40.800 0.068 0.000 0.961 396 D HN 0.402 nan 8.370 nan 0.000 0.460 397 D N 0.541 120.981 120.400 0.067 0.000 2.558 397 D HA 0.183 4.823 4.640 0.000 0.000 0.221 397 D C -0.055 176.265 176.300 0.033 0.000 1.143 397 D CA 0.046 54.075 54.000 0.048 0.000 1.010 397 D CB -0.032 40.798 40.800 0.050 0.000 1.068 397 D HN 0.029 nan 8.370 nan 0.000 0.511 398 S N -1.287 114.410 115.700 -0.005 0.000 2.615 398 S HA 0.636 5.106 4.470 0.000 0.000 0.269 398 S C -0.903 173.623 174.600 -0.124 0.000 1.161 398 S CA -0.919 57.224 58.200 -0.095 0.000 0.817 398 S CB 1.665 64.798 63.200 -0.112 0.000 1.131 398 S HN -0.076 nan 8.310 nan 0.000 0.467 399 V N 1.550 121.336 119.914 -0.214 0.000 2.448 399 V HA 0.513 4.633 4.120 0.000 0.000 0.295 399 V C -0.803 175.177 176.094 -0.190 0.000 1.025 399 V CA -0.655 61.564 62.300 -0.135 0.000 0.859 399 V CB 1.118 32.869 31.823 -0.120 0.000 0.988 399 V HN 0.799 nan 8.190 nan 0.000 0.431 400 L N 4.944 126.108 121.223 -0.098 0.000 2.280 400 L HA 0.579 4.919 4.340 0.000 0.000 0.287 400 L C -0.135 176.626 176.870 -0.181 0.000 1.023 400 L CA -0.314 54.422 54.840 -0.174 0.000 0.819 400 L CB 1.202 43.261 42.059 -0.001 0.000 1.212 400 L HN 0.609 nan 8.230 nan 0.000 0.420 401 Q N 3.623 123.173 119.800 -0.416 0.000 2.322 401 Q HA 0.502 4.842 4.340 0.000 0.000 0.265 401 Q C -1.446 174.237 176.000 -0.529 0.000 0.985 401 Q CA -0.406 55.224 55.803 -0.288 0.000 0.849 401 Q CB 2.225 30.864 28.738 -0.166 0.000 1.274 401 Q HN 0.441 nan 8.270 nan 0.000 0.449 402 F N 1.141 121.066 119.950 -0.042 0.000 2.434 402 F HA 0.337 4.864 4.527 0.000 0.000 0.367 402 F C 0.965 176.744 175.800 -0.034 0.000 1.093 402 F CA -0.710 57.261 58.000 -0.049 0.000 1.085 402 F CB 1.165 40.133 39.000 -0.053 0.000 1.322 402 F HN 0.722 nan 8.300 nan 0.000 0.452 403 G N 1.640 110.483 108.800 0.072 0.000 2.654 403 G HA2 0.023 3.983 3.960 0.000 0.000 0.215 403 G HA3 0.023 3.983 3.960 0.000 0.000 0.215 403 G C 1.811 176.762 174.900 0.084 0.000 1.310 403 G CA 0.608 45.744 45.100 0.059 0.000 0.866 403 G HN 0.741 nan 8.290 nan 0.000 0.558 404 G N 0.776 109.621 108.800 0.074 0.000 2.597 404 G HA2 -0.100 3.860 3.960 0.000 0.000 0.222 404 G HA3 -0.100 3.860 3.960 0.000 0.000 0.222 404 G C 1.700 176.665 174.900 0.107 0.000 1.135 404 G CA 1.574 46.737 45.100 0.104 0.000 0.759 404 G HN 0.821 nan 8.290 nan 0.000 0.595 405 G N -1.117 107.690 108.800 0.012 0.000 2.776 405 G HA2 0.184 4.144 3.960 0.000 0.000 0.209 405 G HA3 0.184 4.144 3.960 0.000 0.000 0.209 405 G C 1.482 176.446 174.900 0.107 0.000 1.145 405 G CA 1.587 46.595 45.100 -0.154 0.000 0.791 405 G HN 0.454 nan 8.290 nan 0.000 0.530 406 T N 0.280 114.940 114.554 0.177 0.000 3.085 406 T HA 0.101 4.452 4.350 0.000 0.000 0.241 406 T C 1.917 176.734 174.700 0.194 0.000 0.988 406 T CA -0.035 62.163 62.100 0.164 0.000 1.117 406 T CB 0.002 68.924 68.868 0.090 0.000 0.978 406 T HN 0.063 nan 8.240 nan 0.000 0.454 407 L N 1.537 122.858 121.223 0.163 0.000 2.554 407 L HA 0.328 4.668 4.340 0.000 0.000 0.226 407 L C 2.222 179.211 176.870 0.198 0.000 1.137 407 L CA 0.685 55.609 54.840 0.140 0.000 0.863 407 L CB -0.277 41.831 42.059 0.081 0.000 0.985 407 L HN 0.363 nan 8.230 nan 0.000 0.451 408 G N -2.706 106.282 108.800 0.314 0.000 3.189 408 G HA2 -0.073 3.887 3.960 0.000 0.000 0.225 408 G HA3 -0.073 3.887 3.960 0.000 0.000 0.225 408 G C 0.489 175.577 174.900 0.313 0.000 1.159 408 G CA -0.252 45.071 45.100 0.371 0.000 0.763 408 G HN 0.278 nan 8.290 nan 0.000 0.549 409 H N 1.685 120.873 119.070 0.196 0.000 2.652 409 H HA 0.146 4.702 4.556 0.000 0.000 0.349 409 H C -1.167 174.119 175.328 -0.069 0.000 1.099 409 H CA -1.401 54.635 56.048 -0.020 0.000 1.417 409 H CB 2.194 31.970 29.762 0.024 0.000 1.457 409 H HN -0.029 nan 8.280 nan 0.000 0.568 410 P HA -0.139 nan 4.420 nan 0.000 0.219 410 P C 0.661 178.156 177.300 0.324 0.000 1.146 410 P CA 1.145 64.189 63.100 -0.093 0.000 0.808 410 P CB 0.102 31.633 31.700 -0.282 0.000 0.779 411 W N 0.205 121.688 121.300 0.306 0.000 3.239 411 W HA 0.506 5.166 4.660 0.000 0.000 0.348 411 W C 1.085 177.669 176.519 0.109 0.000 1.183 411 W CA 0.364 57.825 57.345 0.192 0.000 1.819 411 W CB -0.696 28.881 29.460 0.196 0.000 1.091 411 W HN 0.050 nan 8.180 nan 0.000 0.629 412 G N 1.097 110.085 108.800 0.313 0.000 2.631 412 G HA2 -0.297 3.663 3.960 0.000 0.000 0.504 412 G HA3 -0.297 3.663 3.960 0.000 0.000 0.504 412 G C 0.655 175.590 174.900 0.058 0.000 1.306 412 G CA -0.170 45.021 45.100 0.151 0.000 0.897 412 G HN -0.009 nan 8.290 nan 0.000 0.520 413 N N -0.012 118.698 118.700 0.017 0.000 2.142 413 N HA 0.032 4.772 4.740 0.000 0.000 0.186 413 N C 2.718 178.176 175.510 -0.087 0.000 1.023 413 N CA 2.481 55.516 53.050 -0.025 0.000 0.852 413 N CB -0.647 37.821 38.487 -0.032 0.000 0.998 413 N HN 1.075 nan 8.380 nan 0.000 0.424 414 A N 1.499 124.261 122.820 -0.096 0.000 1.858 414 A HA -0.043 4.277 4.320 0.000 0.000 0.216 414 A C -0.175 177.325 177.584 -0.139 0.000 1.190 414 A CA 1.376 53.340 52.037 -0.121 0.000 0.617 414 A CB -1.530 17.400 19.000 -0.117 0.000 0.827 414 A HN 0.207 nan 8.150 nan 0.000 0.443 415 P HA -0.072 nan 4.420 nan 0.000 0.217 415 P C 1.723 178.628 177.300 -0.659 0.000 1.150 415 P CA 1.650 64.575 63.100 -0.292 0.000 0.832 415 P CB -0.334 31.309 31.700 -0.095 0.000 0.787 416 G N 0.203 108.611 108.800 -0.653 0.000 2.440 416 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 416 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 416 G C 1.641 176.423 174.900 -0.197 0.000 1.154 416 G CA 1.027 45.894 45.100 -0.388 0.000 0.767 416 G HN 0.315 nan 8.290 nan 0.000 0.552 417 A N 0.120 122.842 122.820 -0.163 0.000 1.873 417 A HA 0.093 4.413 4.320 0.000 0.000 0.215 417 A C 2.622 180.126 177.584 -0.134 0.000 1.186 417 A CA 1.828 53.792 52.037 -0.121 0.000 0.616 417 A CB -0.758 18.183 19.000 -0.098 0.000 0.823 417 A HN 0.264 nan 8.150 nan 0.000 0.442 418 V N 0.173 120.004 119.914 -0.139 0.000 2.252 418 V HA -0.344 3.776 4.120 0.000 0.000 0.249 418 V C 3.083 179.094 176.094 -0.138 0.000 1.056 418 V CA 2.234 64.467 62.300 -0.111 0.000 1.022 418 V CB -1.466 30.306 31.823 -0.084 0.000 0.641 418 V HN 0.644 nan 8.190 nan 0.000 0.445 419 A N 0.346 123.056 122.820 -0.183 0.000 1.884 419 A HA -0.356 3.964 4.320 0.000 0.000 0.219 419 A C 2.028 179.485 177.584 -0.211 0.000 1.197 419 A CA 2.755 54.680 52.037 -0.187 0.000 0.637 419 A CB -1.026 17.902 19.000 -0.120 0.000 0.827 419 A HN 0.717 nan 8.150 nan 0.000 0.450 420 N N -1.498 117.056 118.700 -0.242 0.000 2.188 420 N HA -0.147 4.593 4.740 0.000 0.000 0.184 420 N C 1.964 177.343 175.510 -0.218 0.000 1.018 420 N CA 1.290 54.128 53.050 -0.354 0.000 0.858 420 N CB -0.115 38.068 38.487 -0.506 0.000 0.989 420 N HN 0.433 nan 8.380 nan 0.000 0.426 421 R N 1.073 121.489 120.500 -0.139 0.000 2.062 421 R HA 0.039 4.379 4.340 0.000 0.000 0.229 421 R C 1.783 178.059 176.300 -0.040 0.000 1.128 421 R CA 0.998 57.054 56.100 -0.073 0.000 0.960 421 R CB -0.821 29.448 30.300 -0.052 0.000 0.855 421 R HN -0.009 nan 8.270 nan 0.000 0.432 422 V N 1.152 121.040 119.914 -0.042 0.000 2.332 422 V HA -0.263 3.857 4.120 0.000 0.000 0.248 422 V C 2.365 178.432 176.094 -0.045 0.000 1.055 422 V CA 2.073 64.370 62.300 -0.005 0.000 1.038 422 V CB -1.033 30.733 31.823 -0.095 0.000 0.651 422 V HN 0.543 nan 8.190 nan 0.000 0.450 423 A N -0.377 122.367 122.820 -0.127 0.000 1.877 423 A HA -0.214 4.106 4.320 0.000 0.000 0.216 423 A C 2.170 179.723 177.584 -0.052 0.000 1.186 423 A CA 2.231 54.189 52.037 -0.131 0.000 0.620 423 A CB -0.572 18.308 19.000 -0.199 0.000 0.822 423 A HN 0.470 nan 8.150 nan 0.000 0.443 424 L N -0.012 121.186 121.223 -0.041 0.000 2.027 424 L HA -0.112 4.228 4.340 0.000 0.000 0.206 424 L C 2.227 179.117 176.870 0.032 0.000 1.074 424 L CA 2.326 57.171 54.840 0.008 0.000 0.745 424 L CB -0.621 41.448 42.059 0.016 0.000 0.898 424 L HN 0.505 nan 8.230 nan 0.000 0.433 425 E N -0.236 119.987 120.200 0.038 0.000 2.085 425 E HA -0.248 4.102 4.350 0.000 0.000 0.194 425 E C 2.153 178.800 176.600 0.079 0.000 0.994 425 E CA 1.152 57.588 56.400 0.060 0.000 0.801 425 E CB -0.334 29.409 29.700 0.071 0.000 0.743 425 E HN 0.669 nan 8.360 nan 0.000 0.453 426 A N 1.010 123.889 122.820 0.099 0.000 1.908 426 A HA -0.221 4.100 4.320 0.000 0.000 0.218 426 A C 2.487 180.116 177.584 0.075 0.000 1.181 426 A CA 1.407 53.511 52.037 0.113 0.000 0.627 426 A CB -0.934 18.130 19.000 0.108 0.000 0.818 426 A HN 0.362 nan 8.150 nan 0.000 0.445 427 C N -1.433 117.900 119.300 0.055 0.000 2.432 427 C HA -0.060 4.400 4.460 0.000 0.000 0.277 427 C C 2.749 177.773 174.990 0.056 0.000 1.249 427 C CA 1.032 60.084 59.018 0.056 0.000 1.725 427 C CB -1.293 26.481 27.740 0.057 0.000 2.028 427 C HN 0.461 nan 8.230 nan 0.000 0.477 428 V N 0.500 120.447 119.914 0.054 0.000 2.295 428 V HA -0.287 3.833 4.120 0.000 0.000 0.246 428 V C 2.529 178.650 176.094 0.045 0.000 1.049 428 V CA 2.250 64.580 62.300 0.050 0.000 1.024 428 V CB -0.888 30.964 31.823 0.048 0.000 0.648 428 V HN 0.630 nan 8.190 nan 0.000 0.447 429 Q N -0.165 119.663 119.800 0.047 0.000 2.061 429 Q HA -0.250 4.090 4.340 0.000 0.000 0.204 429 Q C 2.235 178.259 176.000 0.039 0.000 0.984 429 Q CA 2.269 58.096 55.803 0.039 0.000 0.846 429 Q CB -0.291 28.471 28.738 0.039 0.000 0.902 429 Q HN 0.637 nan 8.270 nan 0.000 0.421 430 A N 1.175 124.024 122.820 0.048 0.000 1.898 430 A HA -0.205 4.115 4.320 0.000 0.000 0.216 430 A C 2.127 179.735 177.584 0.040 0.000 1.181 430 A CA 1.452 53.517 52.037 0.046 0.000 0.620 430 A CB -0.724 18.308 19.000 0.054 0.000 0.819 430 A HN 0.456 nan 8.150 nan 0.000 0.442 431 R N 0.197 120.723 120.500 0.042 0.000 2.096 431 R HA -0.185 4.155 4.340 0.000 0.000 0.240 431 R C 1.822 178.142 176.300 0.032 0.000 1.139 431 R CA 2.074 58.196 56.100 0.038 0.000 0.952 431 R CB -0.543 29.782 30.300 0.042 0.000 0.854 431 R HN 0.733 nan 8.270 nan 0.000 0.436 432 N N -0.090 118.629 118.700 0.032 0.000 2.244 432 N HA -0.122 4.618 4.740 0.000 0.000 0.183 432 N C 0.907 176.430 175.510 0.022 0.000 1.016 432 N CA 0.904 53.970 53.050 0.027 0.000 0.866 432 N CB 0.062 38.565 38.487 0.026 0.000 0.980 432 N HN 0.420 nan 8.380 nan 0.000 0.430 433 E N -0.187 120.027 120.200 0.023 0.000 2.502 433 E HA 0.038 4.388 4.350 0.000 0.000 0.194 433 E C 0.970 177.583 176.600 0.020 0.000 1.062 433 E CA 0.115 56.527 56.400 0.020 0.000 0.867 433 E CB 0.278 29.990 29.700 0.021 0.000 0.888 433 E HN 0.461 nan 8.360 nan 0.000 0.510 434 G N 1.909 110.722 108.800 0.022 0.000 2.194 434 G HA2 -0.284 3.676 3.960 0.000 0.000 0.236 434 G HA3 -0.284 3.676 3.960 0.000 0.000 0.236 434 G C 0.267 175.181 174.900 0.024 0.000 0.987 434 G CA -0.279 44.834 45.100 0.021 0.000 0.635 434 G HN 0.166 nan 8.290 nan 0.000 0.520 435 R N 0.770 121.287 120.500 0.028 0.000 2.694 435 R HA 0.389 4.729 4.340 0.000 0.000 0.268 435 R C -0.487 175.833 176.300 0.032 0.000 1.061 435 R CA -0.028 56.091 56.100 0.031 0.000 1.133 435 R CB 0.503 30.825 30.300 0.037 0.000 1.020 435 R HN 0.187 nan 8.270 nan 0.000 0.475 436 D N 2.684 123.103 120.400 0.032 0.000 2.347 436 D HA 0.062 4.702 4.640 0.000 0.000 0.235 436 D C 0.849 177.172 176.300 0.038 0.000 1.149 436 D CA -0.145 53.874 54.000 0.031 0.000 0.850 436 D CB 1.006 41.821 40.800 0.026 0.000 1.061 436 D HN 0.421 nan 8.370 nan 0.000 0.487 437 L N 3.318 124.565 121.223 0.040 0.000 2.109 437 L HA -0.093 4.247 4.340 0.000 0.000 0.207 437 L C 2.470 179.372 176.870 0.053 0.000 1.086 437 L CA 1.017 55.887 54.840 0.051 0.000 0.760 437 L CB -0.296 41.795 42.059 0.053 0.000 0.910 437 L HN 0.464 nan 8.230 nan 0.000 0.437 438 A N 0.421 123.266 122.820 0.041 0.000 1.908 438 A HA -0.218 4.102 4.320 0.000 0.000 0.218 438 A C 2.381 179.989 177.584 0.040 0.000 1.181 438 A CA 1.751 53.811 52.037 0.039 0.000 0.627 438 A CB -0.391 18.624 19.000 0.025 0.000 0.818 438 A HN 0.370 nan 8.150 nan 0.000 0.445 439 R N -1.031 119.491 120.500 0.037 0.000 2.156 439 R HA 0.081 4.421 4.340 0.000 0.000 0.207 439 R C 1.083 177.409 176.300 0.044 0.000 1.040 439 R CA 1.049 57.170 56.100 0.035 0.000 1.013 439 R CB 0.042 30.358 30.300 0.027 0.000 0.931 439 R HN 0.590 nan 8.270 nan 0.000 0.465 440 E N -0.118 120.113 120.200 0.051 0.000 2.501 440 E HA 0.105 4.455 4.350 0.000 0.000 0.201 440 E C 1.445 178.092 176.600 0.077 0.000 1.016 440 E CA -0.046 56.389 56.400 0.058 0.000 0.920 440 E CB 0.863 30.594 29.700 0.051 0.000 1.023 440 E HN 0.345 nan 8.360 nan 0.000 0.474 441 G N 2.430 111.282 108.800 0.086 0.000 2.599 441 G HA2 -0.383 3.577 3.960 0.000 0.000 0.219 441 G HA3 -0.383 3.577 3.960 0.000 0.000 0.219 441 G C 1.307 176.302 174.900 0.159 0.000 1.193 441 G CA 1.403 46.571 45.100 0.113 0.000 0.778 441 G HN 0.254 nan 8.290 nan 0.000 0.589 442 N N -0.300 118.514 118.700 0.189 0.000 2.166 442 N HA -0.077 4.663 4.740 0.000 0.000 0.186 442 N C 2.254 177.911 175.510 0.244 0.000 1.019 442 N CA 1.472 54.701 53.050 0.298 0.000 0.856 442 N CB -0.169 38.429 38.487 0.186 0.000 0.993 442 N HN 0.285 nan 8.380 nan 0.000 0.426 443 T N 1.046 115.686 114.554 0.144 0.000 2.821 443 T HA -0.011 4.339 4.350 0.000 0.000 0.267 443 T C 1.955 176.711 174.700 0.094 0.000 1.046 443 T CA 0.690 62.855 62.100 0.109 0.000 1.139 443 T CB -0.159 68.756 68.868 0.078 0.000 0.871 443 T HN 0.169 nan 8.240 nan 0.000 0.454 444 I N 0.972 121.596 120.570 0.089 0.000 2.142 444 I HA -0.159 4.011 4.170 0.000 0.000 0.240 444 I C 2.228 178.366 176.117 0.035 0.000 1.078 444 I CA 1.006 62.348 61.300 0.070 0.000 1.343 444 I CB -0.386 37.655 38.000 0.068 0.000 1.046 444 I HN 0.166 nan 8.210 nan 0.000 0.405 445 I N 0.551 121.128 120.570 0.012 0.000 2.163 445 I HA -0.289 3.882 4.170 0.000 0.000 0.243 445 I C 2.675 178.702 176.117 -0.151 0.000 1.085 445 I CA 1.552 62.770 61.300 -0.138 0.000 1.347 445 I CB -1.335 36.486 38.000 -0.298 0.000 1.044 445 I HN 0.254 nan 8.210 nan 0.000 0.408 446 R N 1.416 121.919 120.500 0.006 0.000 2.091 446 R HA -0.183 4.157 4.340 0.000 0.000 0.238 446 R C 2.154 178.451 176.300 -0.006 0.000 1.136 446 R CA 1.586 57.710 56.100 0.040 0.000 0.959 446 R CB -0.327 30.059 30.300 0.144 0.000 0.856 446 R HN 0.408 nan 8.270 nan 0.000 0.437 447 E N -0.601 119.616 120.200 0.028 0.000 2.085 447 E HA -0.204 4.146 4.350 0.000 0.000 0.194 447 E C 1.871 178.482 176.600 0.017 0.000 0.994 447 E CA 1.435 57.872 56.400 0.062 0.000 0.801 447 E CB -0.219 29.549 29.700 0.113 0.000 0.743 447 E HN 0.505 nan 8.360 nan 0.000 0.453 448 A N 1.021 123.789 122.820 -0.086 0.000 2.015 448 A HA -0.157 4.163 4.320 0.000 0.000 0.219 448 A C 2.373 179.477 177.584 -0.801 0.000 1.163 448 A CA 1.768 53.553 52.037 -0.419 0.000 0.646 448 A CB -0.939 17.888 19.000 -0.288 0.000 0.806 448 A HN 0.408 nan 8.150 nan 0.000 0.448 449 T N -2.039 112.251 114.554 -0.440 0.000 2.977 449 T HA -0.102 4.248 4.350 0.000 0.000 0.271 449 T C 1.558 176.093 174.700 -0.274 0.000 1.105 449 T CA 1.350 63.231 62.100 -0.365 0.000 1.116 449 T CB -0.242 68.490 68.868 -0.225 0.000 0.878 449 T HN 0.369 nan 8.240 nan 0.000 0.509 450 K N 0.801 121.083 120.400 -0.197 0.000 2.288 450 K HA 0.024 4.344 4.320 0.000 0.000 0.201 450 K C 1.967 178.585 176.600 0.030 0.000 1.048 450 K CA 1.053 57.316 56.287 -0.039 0.000 0.956 450 K CB -0.251 32.291 32.500 0.071 0.000 0.746 450 K HN 0.855 nan 8.250 nan 0.000 0.461 451 W N -0.544 120.757 121.300 0.001 0.000 2.868 451 W HA 0.351 5.011 4.660 0.000 0.000 0.320 451 W C 0.049 176.573 176.519 0.008 0.000 1.076 451 W CA -0.452 56.897 57.345 0.006 0.000 1.576 451 W CB 0.017 29.479 29.460 0.003 0.000 1.030 451 W HN -0.177 nan 8.180 nan 0.000 0.558 452 S N 3.177 118.549 115.700 -0.546 0.000 2.577 452 S HA 0.373 4.843 4.470 0.000 0.000 0.294 452 S C -1.388 173.065 174.600 -0.245 0.000 1.161 452 S CA -1.340 56.601 58.200 -0.431 0.000 1.143 452 S CB 1.039 63.720 63.200 -0.865 0.000 0.991 452 S HN -0.295 nan 8.310 nan 0.000 0.475 453 P HA -0.140 nan 4.420 nan 0.000 0.216 453 P C 0.938 178.170 177.300 -0.114 0.000 1.154 453 P CA 1.256 64.382 63.100 0.043 0.000 0.865 453 P CB 0.212 32.071 31.700 0.265 0.000 0.789 454 E N -0.741 119.399 120.200 -0.101 0.000 2.051 454 E HA -0.150 4.200 4.350 0.000 0.000 0.192 454 E C 1.902 178.344 176.600 -0.264 0.000 0.991 454 E CA 0.797 57.051 56.400 -0.243 0.000 0.799 454 E CB -1.281 28.354 29.700 -0.107 0.000 0.748 454 E HN 0.153 nan 8.360 nan 0.000 0.449 455 L N 0.366 121.424 121.223 -0.276 0.000 2.056 455 L HA 0.006 4.346 4.340 0.000 0.000 0.207 455 L C 2.045 178.720 176.870 -0.325 0.000 1.078 455 L CA 1.888 56.547 54.840 -0.302 0.000 0.749 455 L CB -0.799 41.032 42.059 -0.380 0.000 0.901 455 L HN 0.106 nan 8.230 nan 0.000 0.433 456 A N -0.200 122.432 122.820 -0.313 0.000 1.917 456 A HA -0.186 4.134 4.320 0.000 0.000 0.219 456 A C 2.456 179.863 177.584 -0.296 0.000 1.182 456 A CA 2.041 53.924 52.037 -0.256 0.000 0.633 456 A CB -1.226 17.667 19.000 -0.179 0.000 0.819 456 A HN 0.596 nan 8.150 nan 0.000 0.448 457 A N -0.455 122.090 122.820 -0.460 0.000 1.930 457 A HA 0.224 4.544 4.320 0.000 0.000 0.217 457 A C 2.466 179.654 177.584 -0.661 0.000 1.175 457 A CA 1.907 53.556 52.037 -0.646 0.000 0.627 457 A CB -0.870 17.381 19.000 -1.249 0.000 0.815 457 A HN 1.042 nan 8.150 nan 0.000 0.443 458 A N -1.082 121.418 122.820 -0.533 0.000 1.930 458 A HA -0.115 4.205 4.320 0.000 0.000 0.217 458 A C 2.275 179.730 177.584 -0.214 0.000 1.175 458 A CA 1.531 53.333 52.037 -0.392 0.000 0.627 458 A CB -1.174 17.826 19.000 -0.000 0.000 0.815 458 A HN 0.572 nan 8.150 nan 0.000 0.443 459 C N -0.432 118.740 119.300 -0.213 0.000 2.432 459 C HA -0.101 4.359 4.460 0.000 0.000 0.277 459 C C 2.652 177.752 174.990 0.182 0.000 1.249 459 C CA 1.188 60.177 59.018 -0.049 0.000 1.725 459 C CB -1.284 26.316 27.740 -0.233 0.000 2.028 459 C HN 0.691 nan 8.230 nan 0.000 0.477 460 E N 0.339 120.518 120.200 -0.035 0.000 2.058 460 E HA -0.206 4.144 4.350 0.000 0.000 0.194 460 E C 2.111 178.618 176.600 -0.156 0.000 0.997 460 E CA 1.547 57.906 56.400 -0.069 0.000 0.801 460 E CB -0.253 29.366 29.700 -0.136 0.000 0.746 460 E HN 0.491 nan 8.360 nan 0.000 0.450 461 V N 0.237 119.932 119.914 -0.365 0.000 2.343 461 V HA -0.195 3.925 4.120 0.000 0.000 0.247 461 V C 1.396 177.211 176.094 -0.466 0.000 1.051 461 V CA 1.309 63.260 62.300 -0.581 0.000 1.036 461 V CB -0.302 30.858 31.823 -1.105 0.000 0.654 461 V HN 0.440 nan 8.190 nan 0.000 0.451 462 W N 0.834 122.080 121.300 -0.090 0.000 3.123 462 W HA 0.250 4.910 4.660 0.000 0.000 0.383 462 W C 1.907 178.364 176.519 -0.104 0.000 1.102 462 W CA -0.319 56.904 57.345 -0.203 0.000 1.865 462 W CB -0.308 28.836 29.460 -0.526 0.000 1.111 462 W HN 0.438 nan 8.180 nan 0.000 0.621 463 K N 0.534 121.036 120.400 0.170 0.000 2.173 463 K HA -0.206 4.114 4.320 0.000 0.000 0.207 463 K C 0.793 177.252 176.600 -0.236 0.000 1.046 463 K CA 1.453 57.661 56.287 -0.131 0.000 0.929 463 K CB -0.175 32.241 32.500 -0.140 0.000 0.720 463 K HN -0.032 nan 8.250 nan 0.000 0.453 464 E N 0.673 120.802 120.200 -0.118 0.000 2.479 464 E HA 0.106 4.456 4.350 0.000 0.000 0.193 464 E C 0.273 176.820 176.600 -0.088 0.000 1.049 464 E CA 0.081 56.408 56.400 -0.122 0.000 0.870 464 E CB 0.255 29.898 29.700 -0.095 0.000 0.944 464 E HN 0.305 nan 8.360 nan 0.000 0.492 465 I N 1.827 122.377 120.570 -0.033 0.000 2.325 465 I HA 0.232 4.402 4.170 0.000 0.000 0.291 465 I C 0.334 176.472 176.117 0.036 0.000 1.019 465 I CA -0.138 61.148 61.300 -0.022 0.000 1.302 465 I CB 0.495 38.514 38.000 0.032 0.000 1.401 465 I HN -0.273 nan 8.210 nan 0.000 0.485 466 K N 5.575 125.865 120.400 -0.184 0.000 2.508 466 K HA 0.586 4.906 4.320 0.000 0.000 0.260 466 K C -1.585 174.811 176.600 -0.340 0.000 0.949 466 K CA -0.585 55.648 56.287 -0.090 0.000 0.834 466 K CB 2.681 35.158 32.500 -0.038 0.000 1.365 466 K HN 0.175 nan 8.250 nan 0.000 0.437 467 F N 1.562 121.621 119.950 0.180 0.000 2.532 467 F HA 0.319 4.846 4.527 0.000 0.000 0.365 467 F C -0.404 175.486 175.800 0.149 0.000 1.112 467 F CA -0.545 57.576 58.000 0.202 0.000 1.082 467 F CB 1.559 40.703 39.000 0.240 0.000 1.319 467 F HN 0.292 nan 8.300 nan 0.000 0.457 468 E N 3.735 123.978 120.200 0.071 0.000 2.279 468 E HA 0.561 4.911 4.350 0.000 0.000 0.252 468 E C -1.350 175.092 176.600 -0.263 0.000 0.894 468 E CA -0.430 55.958 56.400 -0.022 0.000 0.785 468 E CB 1.709 31.369 29.700 -0.065 0.000 1.237 468 E HN 0.344 nan 8.360 nan 0.000 0.418 469 F N 1.406 121.404 119.950 0.080 0.000 2.626 469 F HA 0.443 4.970 4.527 0.000 0.000 0.311 469 F C -1.962 173.869 175.800 0.052 0.000 1.088 469 F CA -2.023 56.016 58.000 0.064 0.000 0.949 469 F CB 0.965 40.008 39.000 0.073 0.000 1.322 469 F HN 0.259 nan 8.300 nan 0.000 0.461 470 P HA 0.399 nan 4.420 nan 0.000 0.271 470 P C -1.047 176.338 177.300 0.141 0.000 1.216 470 P CA -0.342 62.849 63.100 0.151 0.000 0.771 470 P CB 0.600 32.372 31.700 0.120 0.000 0.864 471 A N 3.108 125.992 122.820 0.107 0.000 2.316 471 A HA 0.400 4.720 4.320 0.000 0.000 0.284 471 A C 1.074 178.703 177.584 0.076 0.000 1.115 471 A CA -0.457 51.635 52.037 0.092 0.000 0.812 471 A CB 0.312 19.365 19.000 0.089 0.000 1.064 471 A HN 0.486 nan 8.150 nan 0.000 0.489 472 M N 0.355 119.994 119.600 0.065 0.000 2.501 472 M HA 0.096 4.576 4.480 0.000 0.000 0.261 472 M C 0.017 176.363 176.300 0.076 0.000 1.129 472 M CA 0.785 56.120 55.300 0.058 0.000 1.126 472 M CB -0.971 31.652 32.600 0.037 0.000 1.359 472 M HN 0.804 nan 8.290 nan 0.000 0.471 473 D N 2.014 122.471 120.400 0.094 0.000 2.462 473 D HA 0.261 4.901 4.640 0.000 0.000 0.249 473 D C -0.614 175.775 176.300 0.149 0.000 1.117 473 D CA -0.033 54.048 54.000 0.135 0.000 0.900 473 D CB 0.914 41.805 40.800 0.152 0.000 1.039 473 D HN 0.127 nan 8.370 nan 0.000 0.516 474 T N -0.647 113.982 114.554 0.126 0.000 2.932 474 T HA 0.564 4.914 4.350 0.000 0.000 0.289 474 T C 0.575 175.336 174.700 0.102 0.000 1.039 474 T CA -0.835 61.327 62.100 0.104 0.000 1.024 474 T CB 1.205 70.117 68.868 0.074 0.000 1.090 474 T HN 0.033 nan 8.240 nan 0.000 0.496 475 V N 0.000 119.960 119.914 0.077 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.334 62.300 0.056 0.000 1.235 475 V CB 0.000 31.835 31.823 0.019 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556