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_E 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 0.000 177.596 177.584 0.020 0.000 1.274 9 A CA 0.000 52.045 52.037 0.013 0.000 0.836 9 A CB 0.000 19.006 19.000 0.010 0.000 0.831 10 S N -0.447 115.269 115.700 0.027 0.000 3.459 10 S HA 0.036 4.507 4.470 0.001 0.000 0.622 10 S C -0.115 174.508 174.600 0.039 0.000 0.790 10 S CA 0.189 58.413 58.200 0.039 0.000 1.329 10 S CB -1.733 61.493 63.200 0.043 0.000 1.315 10 S HN 2.290 nan 8.310 nan 0.000 0.683 11 V N 2.318 122.260 119.914 0.047 0.000 2.713 11 V HA 0.827 4.947 4.120 0.001 0.000 0.307 11 V C 0.859 176.997 176.094 0.073 0.000 1.052 11 V CA 0.474 62.803 62.300 0.047 0.000 0.967 11 V CB 1.290 33.135 31.823 0.037 0.000 1.019 11 V HN 1.768 nan 8.190 nan 0.000 0.459 12 E N 4.229 124.467 120.200 0.064 0.000 2.492 12 E HA 0.075 4.425 4.350 0.001 0.000 0.266 12 E C -0.379 176.311 176.600 0.150 0.000 1.047 12 E CA 0.089 56.542 56.400 0.089 0.000 0.968 12 E CB 0.047 nan 29.700 nan 0.000 0.960 12 E HN 0.942 nan 8.360 nan 0.000 0.452 13 F N 1.803 121.775 119.950 0.037 0.000 2.504 13 F HA 0.449 4.976 4.527 0.000 0.000 0.369 13 F C 0.237 176.055 175.800 0.030 0.000 1.082 13 F CA -0.656 57.377 58.000 0.055 0.000 1.216 13 F CB 1.243 40.300 39.000 0.095 0.000 1.108 13 F HN 0.317 nan 8.300 nan 0.000 0.554 14 K N 6.060 126.215 120.400 -0.409 0.000 2.507 14 K HA 0.625 4.945 4.320 0.001 0.000 0.253 14 K C -0.951 175.209 176.600 -0.733 0.000 0.969 14 K CA -0.483 55.475 56.287 -0.548 0.000 0.908 14 K CB 0.805 33.176 32.500 -0.214 0.000 1.127 14 K HN 0.717 nan 8.250 nan 0.000 0.437 15 A N 2.754 124.968 122.820 -1.010 0.000 2.511 15 A HA 0.575 4.895 4.320 0.001 0.000 0.242 15 A C 0.574 178.017 177.584 -0.235 0.000 1.069 15 A CA 1.019 52.735 52.037 -0.535 0.000 0.763 15 A CB -0.434 18.363 19.000 -0.338 0.000 1.001 15 A HN 1.077 nan 8.150 nan 0.000 0.498 16 G N -0.693 108.024 108.800 -0.138 0.000 2.369 16 G HA2 0.475 4.435 3.960 0.001 0.000 0.307 16 G HA3 0.475 4.435 3.960 0.001 0.000 0.307 16 G C -0.604 174.234 174.900 -0.102 0.000 1.327 16 G CA -0.111 44.931 45.100 -0.096 0.000 0.963 16 G HN 2.185 nan 8.290 nan 0.000 0.590 17 V N -0.198 119.679 119.914 -0.062 0.000 2.617 17 V HA 0.975 5.095 4.120 0.001 0.000 0.298 17 V C 0.045 176.101 176.094 -0.064 0.000 1.048 17 V CA 0.487 62.746 62.300 -0.068 0.000 0.964 17 V CB 1.337 33.174 31.823 0.024 0.000 1.004 17 V HN 1.445 nan 8.190 nan 0.000 0.466 18 K N 2.343 122.685 120.400 -0.097 0.000 2.499 18 K HA 0.536 4.856 4.320 0.001 0.000 0.277 18 K C -1.468 175.055 176.600 -0.128 0.000 1.025 18 K CA -0.952 55.287 56.287 -0.080 0.000 0.900 18 K CB 1.551 34.019 32.500 -0.052 0.000 1.494 18 K HN 0.512 nan 8.250 nan 0.000 0.442 19 D N 0.737 121.090 120.400 -0.079 0.000 2.399 19 D HA 0.067 4.707 4.640 0.001 0.000 0.241 19 D C 0.690 176.969 176.300 -0.035 0.000 1.133 19 D CA 0.092 54.046 54.000 -0.076 0.000 0.890 19 D CB 0.257 41.054 40.800 -0.005 0.000 1.201 19 D HN 0.434 nan 8.370 nan 0.000 0.432 20 Y N 0.998 121.336 120.300 0.064 0.000 2.224 20 Y HA -0.198 4.352 4.550 0.001 0.000 0.289 20 Y C 2.313 178.333 175.900 0.201 0.000 1.146 20 Y CA 1.210 59.395 58.100 0.141 0.000 1.182 20 Y CB -0.294 38.183 38.460 0.028 0.000 0.983 20 Y HN 0.459 nan 8.280 nan 0.000 0.524 21 K N 0.421 120.976 120.400 0.258 0.000 2.283 21 K HA -0.116 4.204 4.320 0.001 0.000 0.202 21 K C 1.659 178.373 176.600 0.191 0.000 1.048 21 K CA 1.432 57.852 56.287 0.221 0.000 0.948 21 K CB -0.711 31.859 32.500 0.118 0.000 0.742 21 K HN 0.323 nan 8.250 nan 0.000 0.458 22 L N 1.323 122.625 121.223 0.132 0.000 2.081 22 L HA -0.159 4.181 4.340 0.001 0.000 0.212 22 L C 1.840 178.735 176.870 0.041 0.000 1.080 22 L CA 1.695 56.582 54.840 0.078 0.000 0.754 22 L CB -0.584 41.502 42.059 0.046 0.000 0.893 22 L HN 0.350 nan 8.230 nan 0.000 0.433 23 T N -3.218 111.361 114.554 0.042 0.000 3.018 23 T HA 0.046 4.397 4.350 0.001 0.000 0.246 23 T C 0.918 175.424 174.700 -0.323 0.000 1.026 23 T CA 0.342 62.320 62.100 -0.204 0.000 1.081 23 T CB 0.143 68.786 68.868 -0.376 0.000 0.970 23 T HN 0.167 nan 8.240 nan 0.000 0.475 24 Y N -0.314 120.048 120.300 0.104 0.000 2.500 24 Y HA 0.428 4.979 4.550 0.001 0.000 0.246 24 Y C -0.108 175.869 175.900 0.128 0.000 1.146 24 Y CA -1.272 56.878 58.100 0.083 0.000 1.230 24 Y CB 0.521 39.031 38.460 0.082 0.000 1.214 24 Y HN 0.155 nan 8.280 nan 0.000 0.526 25 Y N 0.605 120.966 120.300 0.102 0.000 2.331 25 Y HA 0.556 5.106 4.550 0.001 0.000 0.338 25 Y C -0.197 175.733 175.900 0.050 0.000 0.992 25 Y CA -1.007 57.131 58.100 0.063 0.000 1.121 25 Y CB 1.526 40.012 38.460 0.043 0.000 1.184 25 Y HN -0.152 nan 8.280 nan 0.000 0.469 26 T N 9.415 123.755 114.554 -0.357 0.000 3.686 26 T HA 0.185 4.536 4.350 0.001 0.000 0.248 26 T C -2.209 172.377 174.700 -0.190 0.000 1.090 26 T CA -0.762 61.203 62.100 -0.225 0.000 1.659 26 T CB 0.476 69.292 68.868 -0.086 0.000 0.780 26 T HN 0.510 nan 8.240 nan 0.000 0.632 27 P HA 0.015 nan 4.420 nan 0.000 0.226 27 P C 0.931 178.235 177.300 0.006 0.000 1.153 27 P CA 0.801 63.781 63.100 -0.199 0.000 0.777 27 P CB 0.454 31.969 31.700 -0.308 0.000 0.794 28 E N -1.447 118.752 120.200 -0.001 0.000 2.474 28 E HA -0.024 4.326 4.350 0.001 0.000 0.194 28 E C 0.366 177.004 176.600 0.064 0.000 1.041 28 E CA -0.413 56.004 56.400 0.029 0.000 0.874 28 E CB -0.508 29.194 29.700 0.003 0.000 0.914 28 E HN 0.362 nan 8.360 nan 0.000 0.498 29 Y N 2.634 122.922 120.300 -0.021 0.000 2.526 29 Y HA -0.011 4.539 4.550 0.001 0.000 0.330 29 Y C 0.145 175.994 175.900 -0.085 0.000 1.156 29 Y CA 0.055 58.128 58.100 -0.045 0.000 1.419 29 Y CB 0.426 38.867 38.460 -0.031 0.000 1.250 29 Y HN -0.185 nan 8.280 nan 0.000 0.540 30 E N 3.541 123.333 120.200 -0.681 0.000 2.197 30 E HA 0.190 4.540 4.350 0.001 0.000 0.281 30 E C -0.375 175.590 176.600 -1.057 0.000 0.995 30 E CA -0.673 55.340 56.400 -0.645 0.000 0.808 30 E CB 0.814 30.281 29.700 -0.388 0.000 1.093 30 E HN 0.706 nan 8.360 nan 0.000 0.394 31 T N 0.912 115.057 114.554 -0.683 0.000 2.901 31 T HA 0.258 4.608 4.350 0.001 0.000 0.301 31 T C 0.393 174.899 174.700 -0.325 0.000 1.012 31 T CA -0.642 61.154 62.100 -0.506 0.000 1.135 31 T CB 0.309 68.957 68.868 -0.366 0.000 0.936 31 T HN 0.247 nan 8.240 nan 0.000 0.539 32 L N 2.576 123.691 121.223 -0.180 0.000 2.417 32 L HA 0.252 4.592 4.340 0.001 0.000 0.268 32 L C 1.125 177.960 176.870 -0.059 0.000 1.158 32 L CA -0.777 54.007 54.840 -0.093 0.000 0.819 32 L CB 0.372 42.423 42.059 -0.013 0.000 1.112 32 L HN 0.678 nan 8.230 nan 0.000 0.458 33 D N -0.133 120.237 120.400 -0.050 0.000 2.371 33 D HA -0.090 4.551 4.640 0.001 0.000 0.221 33 D C 1.745 178.035 176.300 -0.017 0.000 0.986 33 D CA 1.064 55.042 54.000 -0.036 0.000 0.899 33 D CB 0.113 40.896 40.800 -0.028 0.000 0.902 33 D HN 0.713 nan 8.370 nan 0.000 0.530 34 T N -2.646 111.910 114.554 0.003 0.000 3.086 34 T HA 0.045 4.396 4.350 0.001 0.000 0.250 34 T C 0.489 175.212 174.700 0.037 0.000 1.074 34 T CA -0.488 61.628 62.100 0.026 0.000 0.988 34 T CB 0.365 69.260 68.868 0.044 0.000 0.988 34 T HN -0.236 nan 8.240 nan 0.000 0.530 35 D N 1.659 122.078 120.400 0.033 0.000 2.345 35 D HA 0.373 5.013 4.640 0.001 0.000 0.247 35 D C -0.146 176.162 176.300 0.014 0.000 1.108 35 D CA -0.621 53.423 54.000 0.072 0.000 0.894 35 D CB 0.783 41.638 40.800 0.091 0.000 1.203 35 D HN 0.149 nan 8.370 nan 0.000 0.430 36 I N 2.157 122.762 120.570 0.058 0.000 2.416 36 I HA 0.118 4.288 4.170 0.001 0.000 0.288 36 I C 0.144 176.321 176.117 0.100 0.000 1.051 36 I CA -0.089 61.181 61.300 -0.051 0.000 1.375 36 I CB 0.359 38.188 38.000 -0.285 0.000 1.407 36 I HN 0.067 nan 8.210 nan 0.000 0.516 37 L N 6.022 127.185 121.223 -0.101 0.000 2.317 37 L HA 0.822 5.162 4.340 0.001 0.000 0.281 37 L C 0.020 176.849 176.870 -0.069 0.000 1.024 37 L CA -0.810 53.990 54.840 -0.066 0.000 0.810 37 L CB 1.475 43.287 42.059 -0.412 0.000 1.240 37 L HN 0.671 nan 8.230 nan 0.000 0.427 38 A N 2.348 125.336 122.820 0.279 0.000 2.318 38 A HA 0.803 5.123 4.320 0.001 0.000 0.317 38 A C -0.277 177.449 177.584 0.237 0.000 1.159 38 A CA -0.523 51.625 52.037 0.186 0.000 0.799 38 A CB 1.443 20.507 19.000 0.107 0.000 1.194 38 A HN 0.758 nan 8.150 nan 0.000 0.479 39 A N 2.480 125.356 122.820 0.094 0.000 2.294 39 A HA 0.666 4.986 4.320 0.001 0.000 0.316 39 A C -0.964 176.356 177.584 -0.440 0.000 1.359 39 A CA -0.200 51.638 52.037 -0.332 0.000 0.956 39 A CB -0.486 18.155 19.000 -0.599 0.000 1.155 39 A HN 0.608 nan 8.150 nan 0.000 0.544 40 F N 1.543 121.346 119.950 -0.244 0.000 2.415 40 F HA 0.406 4.934 4.527 0.000 0.000 0.348 40 F C 1.033 176.713 175.800 -0.200 0.000 1.119 40 F CA -0.334 57.549 58.000 -0.194 0.000 1.069 40 F CB 1.494 40.402 39.000 -0.154 0.000 1.124 40 F HN 0.602 nan 8.300 nan 0.000 0.472 41 R N 3.687 124.196 120.500 0.016 0.000 2.291 41 R HA 0.434 4.775 4.340 0.001 0.000 0.333 41 R C -1.503 174.805 176.300 0.014 0.000 1.082 41 R CA -0.138 55.968 56.100 0.010 0.000 0.948 41 R CB 0.144 30.446 30.300 0.004 0.000 1.009 41 R HN 0.510 nan 8.270 nan 0.000 0.460 42 V N 3.696 123.623 119.914 0.022 0.000 2.398 42 V HA 0.254 4.374 4.120 0.001 0.000 0.286 42 V C -0.274 175.841 176.094 0.036 0.000 1.026 42 V CA -0.542 61.757 62.300 -0.003 0.000 0.868 42 V CB 1.844 33.658 31.823 -0.015 0.000 0.982 42 V HN 0.720 nan 8.190 nan 0.000 0.443 43 S N 7.008 122.716 115.700 0.014 0.000 2.577 43 S HA 0.455 4.926 4.470 0.001 0.000 0.294 43 S C -2.588 172.027 174.600 0.024 0.000 1.161 43 S CA -1.035 57.179 58.200 0.025 0.000 1.143 43 S CB 1.207 64.419 63.200 0.021 0.000 0.991 43 S HN 0.565 nan 8.310 nan 0.000 0.475 44 P HA 0.162 nan 4.420 nan 0.000 0.274 44 P C -0.165 177.142 177.300 0.012 0.000 1.237 44 P CA -0.548 62.559 63.100 0.012 0.000 0.793 44 P CB 0.492 32.205 31.700 0.022 0.000 0.977 45 Q N 1.325 121.122 119.800 -0.005 0.000 2.417 45 Q HA 0.204 4.545 4.340 0.001 0.000 0.241 45 Q C -2.021 173.979 176.000 0.000 0.000 1.008 45 Q CA -1.480 54.322 55.803 -0.001 0.000 0.901 45 Q CB -0.787 27.947 28.738 -0.007 0.000 1.259 45 Q HN 0.313 nan 8.270 nan 0.000 0.489 46 P HA 0.003 nan 4.420 nan 0.000 0.263 46 P C 0.417 177.715 177.300 -0.003 0.000 1.195 46 P CA 1.009 64.111 63.100 0.003 0.000 0.762 46 P CB 0.237 31.938 31.700 0.002 0.000 0.799 47 G N 1.531 110.329 108.800 -0.003 0.000 2.175 47 G HA2 -0.189 3.771 3.960 0.001 0.000 0.244 47 G HA3 -0.189 3.771 3.960 0.001 0.000 0.244 47 G C -0.090 174.796 174.900 -0.023 0.000 0.982 47 G CA -0.224 44.869 45.100 -0.011 0.000 0.641 47 G HN 0.516 nan 8.290 nan 0.000 0.527 48 V N 3.093 122.990 119.914 -0.028 0.000 2.328 48 V HA 0.481 4.602 4.120 0.001 0.000 0.278 48 V C -1.432 174.622 176.094 -0.066 0.000 1.021 48 V CA -1.569 60.700 62.300 -0.053 0.000 0.838 48 V CB 1.489 33.272 31.823 -0.067 0.000 0.999 48 V HN 0.205 nan 8.190 nan 0.000 0.447 49 P HA 0.214 nan 4.420 nan 0.000 0.272 49 P C -2.119 175.042 177.300 -0.232 0.000 1.223 49 P CA -1.588 61.429 63.100 -0.139 0.000 0.784 49 P CB 0.374 31.994 31.700 -0.133 0.000 0.923 50 P HA -0.143 nan 4.420 nan 0.000 0.218 50 P C 1.028 178.027 177.300 -0.502 0.000 1.149 50 P CA 1.463 64.216 63.100 -0.579 0.000 0.817 50 P CB 0.144 31.100 31.700 -1.241 0.000 0.785 51 E N 0.139 120.022 120.200 -0.528 0.000 2.077 51 E HA -0.194 4.157 4.350 0.001 0.000 0.193 51 E C 2.080 178.428 176.600 -0.419 0.000 0.989 51 E CA 1.178 57.148 56.400 -0.715 0.000 0.800 51 E CB -0.722 28.481 29.700 -0.828 0.000 0.746 51 E HN 0.274 nan 8.360 nan 0.000 0.452 52 E N 0.284 120.326 120.200 -0.263 0.000 2.158 52 E HA 0.016 4.366 4.350 0.001 0.000 0.191 52 E C 1.802 178.298 176.600 -0.172 0.000 0.982 52 E CA 1.021 57.340 56.400 -0.135 0.000 0.823 52 E CB -0.213 29.439 29.700 -0.079 0.000 0.766 52 E HN 0.213 nan 8.360 nan 0.000 0.468 53 A N 0.210 122.896 122.820 -0.223 0.000 1.877 53 A HA -0.037 4.284 4.320 0.001 0.000 0.216 53 A C 2.441 179.864 177.584 -0.268 0.000 1.186 53 A CA 1.731 53.620 52.037 -0.247 0.000 0.620 53 A CB -1.311 17.570 19.000 -0.199 0.000 0.822 53 A HN 0.402 nan 8.150 nan 0.000 0.443 54 G N -0.717 107.936 108.800 -0.247 0.000 2.408 54 G HA2 0.060 4.020 3.960 0.001 0.000 0.217 54 G HA3 0.060 4.020 3.960 0.001 0.000 0.217 54 G C 1.714 176.521 174.900 -0.154 0.000 1.150 54 G CA 1.361 46.342 45.100 -0.198 0.000 0.776 54 G HN 0.772 nan 8.290 nan 0.000 0.542 55 A N 1.268 124.017 122.820 -0.118 0.000 1.902 55 A HA 0.285 4.605 4.320 0.001 0.000 0.217 55 A C 2.829 180.266 177.584 -0.245 0.000 1.181 55 A CA 2.199 54.229 52.037 -0.013 0.000 0.623 55 A CB -0.846 18.229 19.000 0.124 0.000 0.818 55 A HN 0.746 nan 8.150 nan 0.000 0.443 56 A N -0.421 122.131 122.820 -0.447 0.000 1.883 56 A HA -0.060 4.261 4.320 0.001 0.000 0.217 56 A C 2.249 179.519 177.584 -0.523 0.000 1.186 56 A CA 1.992 53.471 52.037 -0.930 0.000 0.624 56 A CB -1.106 17.322 19.000 -0.953 0.000 0.822 56 A HN 0.430 nan 8.150 nan 0.000 0.444 57 V N -0.121 119.579 119.914 -0.356 0.000 2.287 57 V HA -0.280 3.840 4.120 0.001 0.000 0.248 57 V C 3.071 179.025 176.094 -0.234 0.000 1.053 57 V CA 2.121 64.237 62.300 -0.307 0.000 1.027 57 V CB -1.367 30.124 31.823 -0.552 0.000 0.646 57 V HN 0.640 nan 8.190 nan 0.000 0.447 58 A N -0.072 122.627 122.820 -0.201 0.000 1.902 58 A HA -0.130 4.190 4.320 0.001 0.000 0.217 58 A C 2.439 179.921 177.584 -0.169 0.000 1.181 58 A CA 2.224 54.199 52.037 -0.103 0.000 0.623 58 A CB -0.855 18.133 19.000 -0.020 0.000 0.818 58 A HN 0.587 nan 8.150 nan 0.000 0.443 59 A N -0.319 122.200 122.820 -0.501 0.000 1.883 59 A HA -0.172 4.148 4.320 0.001 0.000 0.217 59 A C 1.985 179.340 177.584 -0.383 0.000 1.186 59 A CA 2.184 53.644 52.037 -0.963 0.000 0.624 59 A CB -0.439 17.811 19.000 -1.251 0.000 0.822 59 A HN 0.534 nan 8.150 nan 0.000 0.444 60 E N 0.372 120.425 120.200 -0.245 0.000 2.442 60 E HA -0.022 4.329 4.350 0.001 0.000 0.195 60 E C 1.456 178.036 176.600 -0.034 0.000 1.030 60 E CA 1.013 57.358 56.400 -0.092 0.000 0.869 60 E CB -0.204 29.473 29.700 -0.038 0.000 0.857 60 E HN 0.584 nan 8.360 nan 0.000 0.505 61 S N -1.284 114.436 115.700 0.034 0.000 2.614 61 S HA 0.200 4.670 4.470 0.001 0.000 0.230 61 S C 1.037 175.766 174.600 0.215 0.000 0.952 61 S CA 0.224 58.515 58.200 0.151 0.000 0.949 61 S CB 0.090 63.468 63.200 0.298 0.000 0.786 61 S HN 0.234 nan 8.310 nan 0.000 0.478 62 S N 0.998 116.777 115.700 0.132 0.000 4.948 62 S HA 0.134 4.605 4.470 0.001 0.000 0.154 62 S C 1.244 175.890 174.600 0.077 0.000 1.026 62 S CA 0.524 58.815 58.200 0.150 0.000 1.308 62 S CB -0.259 63.092 63.200 0.253 0.000 1.915 62 S HN 0.546 nan 8.310 nan 0.000 0.680 63 T N -0.821 113.796 114.554 0.105 0.000 2.986 63 T HA 0.492 4.842 4.350 0.001 0.000 0.264 63 T C 0.776 175.537 174.700 0.102 0.000 0.964 63 T CA 0.417 62.580 62.100 0.105 0.000 0.895 63 T CB 0.251 69.233 68.868 0.191 0.000 1.163 63 T HN 0.774 nan 8.240 nan 0.000 0.517 64 G N 0.363 109.187 108.800 0.041 0.000 2.410 64 G HA2 0.558 4.519 3.960 0.001 0.000 0.330 64 G HA3 0.558 4.519 3.960 0.001 0.000 0.330 64 G C -0.706 174.252 174.900 0.096 0.000 1.142 64 G CA -0.231 44.913 45.100 0.073 0.000 0.902 64 G HN 0.246 nan 8.290 nan 0.000 0.491 65 T N -0.700 113.934 114.554 0.134 0.000 2.644 65 T HA 0.434 4.784 4.350 0.001 0.000 0.253 65 T C 0.769 175.613 174.700 0.242 0.000 0.910 65 T CA -0.413 61.807 62.100 0.200 0.000 1.066 65 T CB 0.681 69.624 68.868 0.124 0.000 1.484 65 T HN 0.669 nan 8.240 nan 0.000 0.560 66 W N 0.488 121.881 121.300 0.156 0.000 2.863 66 W HA 0.317 4.978 4.660 0.001 0.000 0.258 66 W C 0.439 176.947 176.519 -0.020 0.000 1.298 66 W CA 0.321 57.723 57.345 0.095 0.000 1.451 66 W CB -1.059 28.478 29.460 0.129 0.000 1.107 66 W HN 0.522 nan 8.180 nan 0.000 0.641 67 T N 0.913 114.966 114.554 -0.836 0.000 2.887 67 T HA 0.403 4.754 4.350 0.001 0.000 0.292 67 T C -0.450 174.022 174.700 -0.380 0.000 1.087 67 T CA -0.241 61.422 62.100 -0.729 0.000 1.009 67 T CB 1.987 70.070 68.868 -1.310 0.000 1.203 67 T HN -0.228 nan 8.240 nan 0.000 0.518 68 T N 2.162 116.605 114.554 -0.185 0.000 2.869 68 T HA 0.524 4.875 4.350 0.001 0.000 0.295 68 T C -0.087 174.683 174.700 0.118 0.000 0.987 68 T CA -0.451 61.652 62.100 0.005 0.000 1.109 68 T CB 0.492 69.406 68.868 0.077 0.000 0.932 68 T HN 0.660 nan 8.240 nan 0.000 0.518 69 V N 2.951 122.895 119.914 0.051 0.000 2.513 69 V HA 0.482 4.602 4.120 0.001 0.000 0.299 69 V C 1.158 177.105 176.094 -0.245 0.000 1.035 69 V CA -1.130 61.118 62.300 -0.086 0.000 0.889 69 V CB 1.321 33.015 31.823 -0.214 0.000 0.988 69 V HN 1.059 nan 8.190 nan 0.000 0.440 70 W N 2.799 123.668 121.300 -0.719 0.000 2.425 70 W HA -0.105 4.555 4.660 0.001 0.000 0.277 70 W C 1.457 177.743 176.519 -0.389 0.000 1.231 70 W CA 1.540 58.297 57.345 -0.980 0.000 1.248 70 W CB -1.645 26.951 29.460 -1.440 0.000 1.117 70 W HN 0.763 nan 8.180 nan 0.000 0.568 71 T N -1.343 112.564 114.554 -1.078 0.000 3.051 71 T HA -0.187 4.164 4.350 0.001 0.000 0.269 71 T C 1.106 175.578 174.700 -0.379 0.000 1.127 71 T CA 1.452 62.992 62.100 -0.934 0.000 1.107 71 T CB -0.576 67.682 68.868 -1.017 0.000 0.898 71 T HN -0.073 nan 8.240 nan 0.000 0.517 72 D N 2.107 122.365 120.400 -0.236 0.000 2.190 72 D HA -0.045 4.596 4.640 0.001 0.000 0.200 72 D C 2.236 178.515 176.300 -0.034 0.000 0.992 72 D CA 1.384 55.330 54.000 -0.090 0.000 0.854 72 D CB -0.797 39.988 40.800 -0.024 0.000 0.936 72 D HN 0.630 nan 8.370 nan 0.000 0.462 73 G N -0.064 108.731 108.800 -0.007 0.000 2.744 73 G HA2 -0.050 3.911 3.960 0.001 0.000 0.211 73 G HA3 -0.050 3.911 3.960 0.001 0.000 0.211 73 G C 1.575 176.500 174.900 0.042 0.000 1.143 73 G CA -0.104 45.022 45.100 0.043 0.000 0.788 73 G HN 0.261 nan 8.290 nan 0.000 0.534 74 L N 0.709 121.937 121.223 0.010 0.000 2.313 74 L HA 0.120 4.461 4.340 0.001 0.000 0.214 74 L C 1.500 178.380 176.870 0.017 0.000 1.119 74 L CA 0.609 55.458 54.840 0.015 0.000 0.809 74 L CB -0.433 41.613 42.059 -0.021 0.000 0.933 74 L HN 0.161 nan 8.230 nan 0.000 0.449 75 T N -2.663 111.902 114.554 0.019 0.000 2.768 75 T HA 0.225 4.576 4.350 0.001 0.000 0.268 75 T C -0.239 174.511 174.700 0.084 0.000 0.969 75 T CA -0.637 61.507 62.100 0.073 0.000 1.008 75 T CB 1.177 70.114 68.868 0.116 0.000 1.371 75 T HN -0.159 nan 8.240 nan 0.000 0.587 76 N N 0.954 119.734 118.700 0.133 0.000 2.707 76 N HA 0.211 4.951 4.740 0.001 0.000 0.235 76 N C 0.358 175.920 175.510 0.087 0.000 1.028 76 N CA -0.577 52.508 53.050 0.060 0.000 0.906 76 N CB 0.693 39.168 38.487 -0.020 0.000 1.131 76 N HN 0.520 nan 8.380 nan 0.000 0.509 77 L N 2.788 124.051 121.223 0.068 0.000 2.083 77 L HA -0.037 4.303 4.340 0.001 0.000 0.209 77 L C 1.165 178.038 176.870 0.005 0.000 1.083 77 L CA 1.811 56.693 54.840 0.069 0.000 0.752 77 L CB -0.102 41.968 42.059 0.019 0.000 0.899 77 L HN 0.420 nan 8.230 nan 0.000 0.433 78 D N -0.635 119.735 120.400 -0.050 0.000 2.219 78 D HA -0.166 4.474 4.640 0.001 0.000 0.205 78 D C 2.196 178.429 176.300 -0.111 0.000 0.970 78 D CA 1.158 55.106 54.000 -0.087 0.000 0.851 78 D CB -0.118 40.636 40.800 -0.076 0.000 0.943 78 D HN 0.526 nan 8.370 nan 0.000 0.488 79 R N -0.568 119.826 120.500 -0.177 0.000 2.240 79 R HA -0.057 4.283 4.340 0.001 0.000 0.203 79 R C 1.117 177.209 176.300 -0.348 0.000 1.011 79 R CA 0.818 56.740 56.100 -0.297 0.000 1.007 79 R CB -0.291 29.755 30.300 -0.424 0.000 0.911 79 R HN 0.187 nan 8.270 nan 0.000 0.468 80 Y N 2.109 122.400 120.300 -0.016 0.000 2.524 80 Y HA 0.162 4.712 4.550 0.001 0.000 0.270 80 Y C 0.406 176.311 175.900 0.009 0.000 1.094 80 Y CA -0.351 57.744 58.100 -0.007 0.000 1.276 80 Y CB 0.165 38.619 38.460 -0.011 0.000 1.130 80 Y HN 0.011 nan 8.280 nan 0.000 0.536 81 K N 1.368 121.847 120.400 0.132 0.000 2.485 81 K HA 0.213 4.533 4.320 0.001 0.000 0.277 81 K C 0.583 177.238 176.600 0.092 0.000 0.990 81 K CA 0.325 56.698 56.287 0.142 0.000 0.994 81 K CB 0.448 32.946 32.500 -0.003 0.000 0.906 81 K HN 0.161 nan 8.250 nan 0.000 0.488 82 G N 2.442 111.335 108.800 0.155 0.000 2.503 82 G HA2 0.275 4.235 3.960 0.001 0.000 0.257 82 G HA3 0.275 4.235 3.960 0.001 0.000 0.257 82 G C -0.683 174.216 174.900 -0.001 0.000 1.214 82 G CA -0.984 44.096 45.100 -0.033 0.000 0.839 82 G HN 0.824 nan 8.290 nan 0.000 0.559 83 R N 0.135 120.562 120.500 -0.123 0.000 2.535 83 R HA 0.359 4.700 4.340 0.001 0.000 0.274 83 R C -1.499 174.850 176.300 0.082 0.000 1.090 83 R CA -0.756 55.331 56.100 -0.023 0.000 0.930 83 R CB 0.492 30.673 30.300 -0.197 0.000 1.223 83 R HN 0.483 nan 8.270 nan 0.000 0.441 84 C N 5.225 124.611 119.300 0.144 0.000 2.555 84 C HA 0.281 4.741 4.460 0.001 0.000 0.385 84 C C 0.767 175.902 174.990 0.241 0.000 1.296 84 C CA -0.284 58.848 59.018 0.190 0.000 1.757 84 C CB -1.533 26.338 27.740 0.218 0.000 2.445 84 C HN 0.929 nan 8.230 nan 0.000 0.571 85 Y N 2.800 123.238 120.300 0.231 0.000 2.426 85 Y HA 0.480 5.031 4.550 0.001 0.000 0.249 85 Y C 0.658 176.736 175.900 0.296 0.000 1.103 85 Y CA -0.228 57.993 58.100 0.202 0.000 1.256 85 Y CB -0.341 38.284 38.460 0.275 0.000 1.208 85 Y HN 0.772 nan 8.280 nan 0.000 0.519 86 H N 0.436 119.425 119.070 -0.135 0.000 3.086 86 H HA 0.530 5.087 4.556 0.001 0.000 0.353 86 H C -1.988 173.440 175.328 0.166 0.000 1.134 86 H CA -0.876 55.186 56.048 0.024 0.000 1.248 86 H CB 2.108 31.806 29.762 -0.106 0.000 1.878 86 H HN 0.127 nan 8.280 nan 0.000 0.527 87 I N 4.089 124.416 120.570 -0.405 0.000 2.447 87 I HA 0.181 4.351 4.170 0.001 0.000 0.287 87 I C -0.453 175.461 176.117 -0.339 0.000 1.023 87 I CA -0.425 60.728 61.300 -0.245 0.000 1.083 87 I CB 2.052 39.953 38.000 -0.165 0.000 1.245 87 I HN 0.494 nan 8.210 nan 0.000 0.434 88 E N 9.289 129.452 120.200 -0.062 0.000 2.199 88 E HA 0.499 4.849 4.350 0.001 0.000 0.265 88 E C -2.713 173.996 176.600 0.182 0.000 0.882 88 E CA -2.080 54.366 56.400 0.077 0.000 0.759 88 E CB 2.390 32.223 29.700 0.222 0.000 1.148 88 E HN 0.171 nan 8.360 nan 0.000 0.412 89 P HA 0.056 nan 4.420 nan 0.000 0.275 89 P C -0.381 176.925 177.300 0.011 0.000 1.227 89 P CA -0.409 62.764 63.100 0.122 0.000 0.781 89 P CB 1.113 32.881 31.700 0.113 0.000 0.906 90 V N 2.799 122.655 119.914 -0.097 0.000 2.432 90 V HA 0.280 4.401 4.120 0.001 0.000 0.271 90 V C 1.006 177.065 176.094 -0.057 0.000 1.046 90 V CA -0.617 61.648 62.300 -0.058 0.000 0.945 90 V CB 0.329 32.110 31.823 -0.071 0.000 0.992 90 V HN 0.690 nan 8.190 nan 0.000 0.471 91 A N 4.358 127.165 122.820 -0.022 0.000 2.524 91 A HA 0.502 4.822 4.320 0.001 0.000 0.250 91 A C 1.472 179.043 177.584 -0.022 0.000 1.078 91 A CA 0.655 52.681 52.037 -0.018 0.000 0.761 91 A CB -0.490 18.507 19.000 -0.004 0.000 1.012 91 A HN 2.137 nan 8.150 nan 0.000 0.500 92 G N 1.418 110.203 108.800 -0.026 0.000 2.157 92 G HA2 -0.142 3.818 3.960 0.001 0.000 0.239 92 G HA3 -0.142 3.818 3.960 0.001 0.000 0.239 92 G C -0.178 174.703 174.900 -0.033 0.000 0.982 92 G CA 0.309 45.396 45.100 -0.022 0.000 0.650 92 G HN 0.786 nan 8.290 nan 0.000 0.527 93 E N 1.104 121.270 120.200 -0.057 0.000 2.224 93 E HA 0.339 4.689 4.350 0.001 0.000 0.265 93 E C -0.064 176.469 176.600 -0.111 0.000 0.878 93 E CA -0.676 55.677 56.400 -0.079 0.000 0.759 93 E CB 1.450 31.092 29.700 -0.096 0.000 1.164 93 E HN 0.534 nan 8.360 nan 0.000 0.414 94 E N 2.871 123.018 120.200 -0.087 0.000 2.299 94 E HA 0.028 4.378 4.350 0.001 0.000 0.272 94 E C 0.104 176.626 176.600 -0.131 0.000 1.043 94 E CA -0.373 55.974 56.400 -0.089 0.000 0.895 94 E CB 0.283 29.955 29.700 -0.047 0.000 1.011 94 E HN 0.416 nan 8.360 nan 0.000 0.432 95 N N 1.638 120.228 118.700 -0.184 0.000 2.740 95 N HA -0.250 4.490 4.740 0.001 0.000 0.248 95 N C -1.247 174.090 175.510 -0.289 0.000 1.062 95 N CA 1.252 54.192 53.050 -0.184 0.000 0.704 95 N CB -0.830 37.640 38.487 -0.029 0.000 0.968 95 N HN 0.778 nan 8.380 nan 0.000 0.547 96 Q N 0.573 120.044 119.800 -0.549 0.000 2.285 96 Q HA 0.491 4.831 4.340 0.001 0.000 0.269 96 Q C -1.553 174.064 176.000 -0.639 0.000 1.030 96 Q CA -0.685 54.869 55.803 -0.416 0.000 0.788 96 Q CB 1.046 29.674 28.738 -0.184 0.000 1.266 96 Q HN 0.265 nan 8.270 nan 0.000 0.438 97 Y N 2.432 122.715 120.300 -0.028 0.000 2.477 97 Y HA 0.438 4.988 4.550 0.001 0.000 0.347 97 Y C -0.189 175.690 175.900 -0.036 0.000 0.981 97 Y CA -1.245 56.836 58.100 -0.032 0.000 1.033 97 Y CB 1.457 39.883 38.460 -0.057 0.000 1.245 97 Y HN 0.475 nan 8.280 nan 0.000 0.455 98 I N 2.767 123.407 120.570 0.117 0.000 2.363 98 I HA 0.098 4.268 4.170 0.001 0.000 0.292 98 I C -0.296 175.804 176.117 -0.028 0.000 1.075 98 I CA -0.530 60.772 61.300 0.004 0.000 1.333 98 I CB -0.493 37.506 38.000 -0.002 0.000 1.415 98 I HN 0.590 nan 8.210 nan 0.000 0.502 99 C N 7.533 126.796 119.300 -0.062 0.000 2.273 99 C HA 0.437 4.897 4.460 0.001 0.000 0.328 99 C C 0.089 175.036 174.990 -0.072 0.000 1.275 99 C CA -0.709 58.293 59.018 -0.027 0.000 1.704 99 C CB -0.419 27.314 27.740 -0.012 0.000 2.326 99 C HN 0.501 nan 8.230 nan 0.000 0.517 100 Y N 1.960 122.246 120.300 -0.024 0.000 2.326 100 Y HA 0.555 5.106 4.550 0.001 0.000 0.337 100 Y C 0.388 176.196 175.900 -0.154 0.000 1.023 100 Y CA -0.238 57.806 58.100 -0.093 0.000 1.143 100 Y CB 0.828 39.062 38.460 -0.378 0.000 1.183 100 Y HN 0.417 nan 8.280 nan 0.000 0.485 101 V N 2.678 122.772 119.914 0.301 0.000 2.735 101 V HA 0.853 4.973 4.120 0.001 0.000 0.310 101 V C -0.514 175.771 176.094 0.317 0.000 1.061 101 V CA -1.094 61.355 62.300 0.248 0.000 0.913 101 V CB 1.841 33.756 31.823 0.154 0.000 1.005 101 V HN 0.827 nan 8.190 nan 0.000 0.428 102 A N 3.511 126.425 122.820 0.156 0.000 2.343 102 A HA 0.878 5.199 4.320 0.001 0.000 0.316 102 A C -1.623 175.874 177.584 -0.145 0.000 1.104 102 A CA -0.411 51.696 52.037 0.117 0.000 0.768 102 A CB 0.853 19.945 19.000 0.154 0.000 1.213 102 A HN 0.743 nan 8.150 nan 0.000 0.456 103 Y N 2.172 122.596 120.300 0.206 0.000 2.331 103 Y HA 0.444 4.995 4.550 0.001 0.000 0.334 103 Y C -2.397 173.636 175.900 0.222 0.000 0.960 103 Y CA -2.482 55.755 58.100 0.229 0.000 1.130 103 Y CB 1.765 40.471 38.460 0.410 0.000 1.164 103 Y HN 0.480 nan 8.280 nan 0.000 0.458 104 P HA -0.059 nan 4.420 nan 0.000 0.266 104 P C 0.867 178.319 177.300 0.252 0.000 1.195 104 P CA -0.087 63.131 63.100 0.198 0.000 0.768 104 P CB 0.887 32.659 31.700 0.121 0.000 0.838 105 L N 3.382 124.730 121.223 0.209 0.000 2.064 105 L HA -0.258 4.082 4.340 0.001 0.000 0.216 105 L C 1.272 178.262 176.870 0.199 0.000 1.077 105 L CA 2.135 57.099 54.840 0.207 0.000 0.766 105 L CB -1.051 41.089 42.059 0.135 0.000 0.890 105 L HN 0.321 nan 8.230 nan 0.000 0.435 106 D N -1.217 119.272 120.400 0.148 0.000 2.371 106 D HA -0.057 4.583 4.640 0.001 0.000 0.221 106 D C 2.152 178.470 176.300 0.030 0.000 0.986 106 D CA 0.618 54.698 54.000 0.133 0.000 0.899 106 D CB -0.028 40.909 40.800 0.228 0.000 0.902 106 D HN 0.400 nan 8.370 nan 0.000 0.530 107 L N -0.788 120.355 121.223 -0.134 0.000 2.341 107 L HA 0.054 4.394 4.340 0.001 0.000 0.214 107 L C 0.221 176.698 176.870 -0.655 0.000 1.115 107 L CA 0.330 54.900 54.840 -0.449 0.000 0.820 107 L CB -0.054 41.602 42.059 -0.672 0.000 0.944 107 L HN -0.103 nan 8.230 nan 0.000 0.452 108 F N 0.011 119.931 119.950 -0.050 0.000 2.422 108 F HA 0.274 4.801 4.527 0.000 0.000 0.333 108 F C 0.713 176.551 175.800 0.063 0.000 1.095 108 F CA -1.156 56.808 58.000 -0.060 0.000 1.038 108 F CB 0.842 39.629 39.000 -0.354 0.000 1.156 108 F HN -0.166 nan 8.300 nan 0.000 0.483 109 E N 1.850 122.205 120.200 0.258 0.000 2.290 109 E HA 0.131 4.481 4.350 0.001 0.000 0.277 109 E C -0.751 175.993 176.600 0.240 0.000 1.035 109 E CA -0.607 55.904 56.400 0.186 0.000 0.873 109 E CB 0.533 30.290 29.700 0.095 0.000 1.029 109 E HN 0.489 nan 8.360 nan 0.000 0.419 110 E N 2.516 122.794 120.200 0.129 0.000 2.452 110 E HA 0.145 4.495 4.350 0.001 0.000 0.261 110 E C 0.984 177.363 176.600 -0.368 0.000 0.987 110 E CA 1.403 57.767 56.400 -0.061 0.000 0.926 110 E CB 0.468 30.129 29.700 -0.066 0.000 0.934 110 E HN 0.812 nan 8.360 nan 0.000 0.452 111 G N 2.330 110.527 108.800 -1.004 0.000 2.175 111 G HA2 -0.338 3.622 3.960 0.001 0.000 0.265 111 G HA3 -0.338 3.622 3.960 0.001 0.000 0.265 111 G C 0.384 174.836 174.900 -0.747 0.000 0.979 111 G CA 0.583 44.912 45.100 -1.285 0.000 0.663 111 G HN 0.535 nan 8.290 nan 0.000 0.533 112 S N -0.466 115.032 115.700 -0.336 0.000 2.577 112 S HA 0.485 4.955 4.470 0.001 0.000 0.294 112 S C 1.415 176.091 174.600 0.126 0.000 1.161 112 S CA 0.389 58.582 58.200 -0.012 0.000 1.143 112 S CB 1.116 64.332 63.200 0.027 0.000 0.991 112 S HN 1.485 nan 8.310 nan 0.000 0.475 113 V N 5.024 124.985 119.914 0.078 0.000 2.407 113 V HA -0.103 4.017 4.120 0.001 0.000 0.248 113 V C 1.963 177.805 176.094 -0.420 0.000 1.055 113 V CA 2.767 64.867 62.300 -0.333 0.000 1.049 113 V CB -1.392 29.901 31.823 -0.883 0.000 0.662 113 V HN 0.851 nan 8.190 nan 0.000 0.455 114 T N 1.364 115.801 114.554 -0.196 0.000 2.620 114 T HA -0.295 4.056 4.350 0.001 0.000 0.267 114 T C 1.937 176.658 174.700 0.034 0.000 1.044 114 T CA 2.418 64.502 62.100 -0.027 0.000 1.161 114 T CB -0.733 68.174 68.868 0.066 0.000 0.862 114 T HN 0.765 nan 8.240 nan 0.000 0.438 115 N N 0.463 119.203 118.700 0.066 0.000 2.244 115 N HA -0.073 4.668 4.740 0.001 0.000 0.183 115 N C 2.054 177.680 175.510 0.194 0.000 1.016 115 N CA 1.154 54.277 53.050 0.122 0.000 0.866 115 N CB -0.215 38.355 38.487 0.138 0.000 0.980 115 N HN 0.461 nan 8.380 nan 0.000 0.430 116 M N -0.295 119.418 119.600 0.188 0.000 2.077 116 M HA -0.129 4.351 4.480 0.001 0.000 0.261 116 M C 1.433 177.878 176.300 0.242 0.000 1.070 116 M CA 1.368 56.796 55.300 0.214 0.000 1.125 116 M CB -0.187 32.417 32.600 0.006 0.000 1.339 116 M HN -0.049 nan 8.290 nan 0.000 0.409 117 F N 0.946 120.887 119.950 -0.015 0.000 2.126 117 F HA -0.171 4.356 4.527 0.000 0.000 0.299 117 F C 2.587 178.402 175.800 0.024 0.000 1.096 117 F CA 1.709 59.698 58.000 -0.018 0.000 1.255 117 F CB -1.938 37.034 39.000 -0.047 0.000 0.997 117 F HN 0.232 nan 8.300 nan 0.000 0.479 118 T N -0.742 113.945 114.554 0.222 0.000 2.684 118 T HA -0.190 4.161 4.350 0.001 0.000 0.267 118 T C 2.392 177.155 174.700 0.106 0.000 1.036 118 T CA 1.787 63.968 62.100 0.135 0.000 1.148 118 T CB -0.503 68.422 68.868 0.096 0.000 0.863 118 T HN 0.163 nan 8.240 nan 0.000 0.436 119 S N 0.799 116.561 115.700 0.104 0.000 2.343 119 S HA 0.032 4.502 4.470 0.001 0.000 0.219 119 S C 2.015 176.666 174.600 0.084 0.000 1.033 119 S CA 1.025 59.257 58.200 0.054 0.000 1.014 119 S CB -0.360 62.824 63.200 -0.027 0.000 0.915 119 S HN 0.411 nan 8.310 nan 0.000 0.435 120 I N 0.306 120.934 120.570 0.096 0.000 2.761 120 I HA 0.021 4.191 4.170 0.001 0.000 0.261 120 I C 1.088 177.403 176.117 0.330 0.000 1.198 120 I CA 0.724 62.111 61.300 0.144 0.000 1.482 120 I CB 0.220 38.236 38.000 0.026 0.000 1.100 120 I HN 0.115 nan 8.210 nan 0.000 0.445 121 V N -0.006 120.044 119.914 0.226 0.000 3.276 121 V HA 0.253 4.373 4.120 0.001 0.000 0.319 121 V C 1.690 177.853 176.094 0.114 0.000 1.476 121 V CA 0.445 62.878 62.300 0.222 0.000 1.097 121 V CB 0.705 32.488 31.823 -0.067 0.000 0.988 121 V HN 0.384 nan 8.190 nan 0.000 0.473 122 G N 1.108 109.980 108.800 0.120 0.000 2.464 122 G HA2 -0.164 3.797 3.960 0.001 0.000 0.214 122 G HA3 -0.164 3.797 3.960 0.001 0.000 0.214 122 G C 1.146 176.071 174.900 0.041 0.000 1.218 122 G CA 1.230 46.367 45.100 0.062 0.000 0.794 122 G HN 0.531 nan 8.290 nan 0.000 0.542 123 N N -0.549 118.169 118.700 0.029 0.000 2.360 123 N HA 0.009 4.749 4.740 0.001 0.000 0.211 123 N C 2.216 177.666 175.510 -0.098 0.000 1.147 123 N CA 0.883 53.901 53.050 -0.054 0.000 0.866 123 N CB 0.319 38.727 38.487 -0.132 0.000 1.206 123 N HN 0.279 nan 8.380 nan 0.000 0.478 124 V N -1.184 118.709 119.914 -0.036 0.000 2.759 124 V HA -0.022 4.098 4.120 0.001 0.000 0.256 124 V C 1.579 177.672 176.094 -0.002 0.000 1.080 124 V CA 1.192 63.419 62.300 -0.123 0.000 1.101 124 V CB -1.212 30.547 31.823 -0.107 0.000 0.698 124 V HN -0.075 nan 8.190 nan 0.000 0.477 125 F N 2.537 122.467 119.950 -0.033 0.000 2.641 125 F HA 0.276 4.803 4.527 0.001 0.000 0.298 125 F C 2.203 178.059 175.800 0.094 0.000 1.146 125 F CA 1.056 59.081 58.000 0.041 0.000 1.464 125 F CB -0.682 38.340 39.000 0.037 0.000 1.101 125 F HN 0.358 nan 8.300 nan 0.000 0.585 126 G N -1.794 107.102 108.800 0.159 0.000 3.324 126 G HA2 0.056 4.016 3.960 0.001 0.000 0.251 126 G HA3 0.056 4.016 3.960 0.001 0.000 0.251 126 G C 0.099 175.052 174.900 0.089 0.000 1.072 126 G CA -0.214 44.948 45.100 0.103 0.000 0.787 126 G HN -0.018 nan 8.290 nan 0.000 0.537 127 F N 1.668 121.631 119.950 0.022 0.000 2.608 127 F HA 0.166 4.694 4.527 0.000 0.000 0.380 127 F C 1.774 177.573 175.800 -0.002 0.000 1.083 127 F CA -0.006 57.989 58.000 -0.008 0.000 1.266 127 F CB 1.037 40.005 39.000 -0.053 0.000 1.076 127 F HN -0.020 nan 8.300 nan 0.000 0.574 128 K N 2.900 123.461 120.400 0.267 0.000 2.103 128 K HA -0.169 4.152 4.320 0.001 0.000 0.207 128 K C 1.935 178.581 176.600 0.076 0.000 1.048 128 K CA 1.416 57.779 56.287 0.127 0.000 0.930 128 K CB -0.164 32.390 32.500 0.090 0.000 0.716 128 K HN 0.703 nan 8.250 nan 0.000 0.444 129 A N 0.566 123.407 122.820 0.035 0.000 2.248 129 A HA -0.020 4.300 4.320 0.001 0.000 0.210 129 A C 0.319 177.872 177.584 -0.051 0.000 1.174 129 A CA 0.717 52.720 52.037 -0.056 0.000 0.750 129 A CB -0.041 18.845 19.000 -0.189 0.000 0.780 129 A HN 0.022 nan 8.150 nan 0.000 0.478 130 L N -1.552 119.674 121.223 0.006 0.000 2.334 130 L HA 0.486 4.826 4.340 0.001 0.000 0.273 130 L C 1.165 178.061 176.870 0.043 0.000 1.013 130 L CA -0.206 54.639 54.840 0.009 0.000 0.816 130 L CB 1.516 43.584 42.059 0.015 0.000 1.278 130 L HN 0.179 nan 8.230 nan 0.000 0.431 131 R N 1.131 121.654 120.500 0.039 0.000 2.223 131 R HA 0.573 4.914 4.340 0.001 0.000 0.198 131 R C -0.251 176.103 176.300 0.091 0.000 0.984 131 R CA 0.561 56.691 56.100 0.049 0.000 1.018 131 R CB 0.550 30.869 30.300 0.032 0.000 0.945 131 R HN 0.680 nan 8.270 nan 0.000 0.479 132 A N 0.509 123.399 122.820 0.117 0.000 2.599 132 A HA 0.554 4.874 4.320 0.001 0.000 0.294 132 A C -2.184 175.459 177.584 0.099 0.000 1.055 132 A CA -0.657 51.529 52.037 0.247 0.000 0.683 132 A CB 1.440 20.566 19.000 0.210 0.000 1.278 132 A HN 0.027 nan 8.150 nan 0.000 0.412 133 L N 0.767 121.989 121.223 -0.001 0.000 2.493 133 L HA 0.781 5.121 4.340 0.001 0.000 0.265 133 L C -0.636 176.052 176.870 -0.304 0.000 0.954 133 L CA -0.073 54.574 54.840 -0.321 0.000 0.844 133 L CB 1.901 43.520 42.059 -0.734 0.000 1.302 133 L HN 0.831 nan 8.230 nan 0.000 0.405 134 R N 4.211 124.667 120.500 -0.074 0.000 2.532 134 R HA 0.555 4.895 4.340 0.001 0.000 0.297 134 R C -1.711 174.648 176.300 0.098 0.000 0.984 134 R CA -0.908 55.245 56.100 0.089 0.000 0.884 134 R CB 1.657 31.999 30.300 0.070 0.000 1.182 134 R HN 0.669 nan 8.270 nan 0.000 0.442 135 L N 4.424 125.745 121.223 0.163 0.000 2.315 135 L HA 0.195 4.535 4.340 0.001 0.000 0.283 135 L C 0.735 177.524 176.870 -0.135 0.000 1.089 135 L CA 0.649 55.419 54.840 -0.116 0.000 0.833 135 L CB 1.038 43.015 42.059 -0.137 0.000 1.170 135 L HN 0.708 nan 8.230 nan 0.000 0.442 136 E N 2.297 122.325 120.200 -0.286 0.000 2.216 136 E HA 0.113 4.463 4.350 0.001 0.000 0.192 136 E C -0.275 176.130 176.600 -0.325 0.000 0.973 136 E CA 0.428 56.615 56.400 -0.354 0.000 0.851 136 E CB 0.445 29.677 29.700 -0.781 0.000 0.804 136 E HN 0.695 nan 8.360 nan 0.000 0.477 137 D N -1.079 119.155 120.400 -0.276 0.000 2.683 137 D HA 0.361 5.001 4.640 0.001 0.000 0.246 137 D C -1.586 174.803 176.300 0.148 0.000 1.238 137 D CA -0.429 53.553 54.000 -0.029 0.000 0.759 137 D CB 1.236 42.045 40.800 0.015 0.000 1.349 137 D HN -0.145 nan 8.370 nan 0.000 0.426 138 L N 1.385 122.713 121.223 0.174 0.000 2.431 138 L HA 0.511 4.851 4.340 0.001 0.000 0.266 138 L C -0.288 176.504 176.870 -0.130 0.000 0.978 138 L CA -0.905 53.942 54.840 0.011 0.000 0.822 138 L CB 2.235 44.263 42.059 -0.051 0.000 1.310 138 L HN 0.189 nan 8.230 nan 0.000 0.409 139 R N 4.070 124.238 120.500 -0.554 0.000 2.204 139 R HA 0.464 4.805 4.340 0.001 0.000 0.341 139 R C -1.032 175.062 176.300 -0.343 0.000 1.035 139 R CA -0.433 55.361 56.100 -0.509 0.000 0.887 139 R CB 0.295 30.123 30.300 -0.787 0.000 1.114 139 R HN 0.558 nan 8.270 nan 0.000 0.473 140 I N 7.970 128.358 120.570 -0.303 0.000 2.312 140 I HA 0.227 4.398 4.170 0.001 0.000 0.291 140 I C -1.694 174.285 176.117 -0.229 0.000 1.031 140 I CA -2.016 59.127 61.300 -0.262 0.000 1.293 140 I CB 1.572 39.403 38.000 -0.282 0.000 1.403 140 I HN 0.316 nan 8.210 nan 0.000 0.484 141 P HA -0.020 nan 4.420 nan 0.000 0.271 141 P C 1.052 178.328 177.300 -0.041 0.000 1.218 141 P CA -0.185 62.866 63.100 -0.081 0.000 0.780 141 P CB 1.138 32.816 31.700 -0.037 0.000 0.901 142 V N 0.474 120.364 119.914 -0.041 0.000 2.594 142 V HA -0.204 3.917 4.120 0.001 0.000 0.253 142 V C 2.252 178.372 176.094 0.043 0.000 1.069 142 V CA 1.968 64.260 62.300 -0.014 0.000 1.082 142 V CB -2.171 29.649 31.823 -0.005 0.000 0.680 142 V HN 0.525 nan 8.190 nan 0.000 0.469 143 A N -0.840 122.017 122.820 0.063 0.000 1.972 143 A HA -0.146 4.175 4.320 0.001 0.000 0.219 143 A C 2.140 179.826 177.584 0.169 0.000 1.169 143 A CA 1.930 54.024 52.037 0.096 0.000 0.635 143 A CB -0.766 18.287 19.000 0.088 0.000 0.810 143 A HN 0.712 nan 8.150 nan 0.000 0.446 144 Y N 0.017 120.341 120.300 0.041 0.000 2.314 144 Y HA -0.006 4.544 4.550 0.000 0.000 0.294 144 Y C 2.301 178.326 175.900 0.208 0.000 1.119 144 Y CA 1.022 59.184 58.100 0.102 0.000 1.179 144 Y CB -0.127 38.361 38.460 0.046 0.000 1.025 144 Y HN 0.053 nan 8.280 nan 0.000 0.541 145 V N 0.659 120.647 119.914 0.122 0.000 2.392 145 V HA -0.312 3.809 4.120 0.001 0.000 0.249 145 V C 2.218 178.410 176.094 0.163 0.000 1.059 145 V CA 2.017 64.366 62.300 0.081 0.000 1.051 145 V CB -0.524 31.308 31.823 0.015 0.000 0.658 145 V HN 0.237 nan 8.190 nan 0.000 0.455 146 K N 0.559 121.023 120.400 0.107 0.000 2.439 146 K HA -0.065 4.256 4.320 0.001 0.000 0.197 146 K C 2.089 178.710 176.600 0.034 0.000 1.041 146 K CA 1.451 57.783 56.287 0.076 0.000 0.970 146 K CB -0.717 31.814 32.500 0.051 0.000 0.773 146 K HN 0.741 nan 8.250 nan 0.000 0.479 147 T N -1.765 112.780 114.554 -0.016 0.000 3.160 147 T HA 0.062 4.413 4.350 0.001 0.000 0.257 147 T C 0.460 174.933 174.700 -0.378 0.000 1.147 147 T CA 0.026 62.002 62.100 -0.205 0.000 1.064 147 T CB -0.342 68.326 68.868 -0.334 0.000 0.949 147 T HN -0.132 nan 8.240 nan 0.000 0.526 148 F N 0.555 120.422 119.950 -0.139 0.000 2.538 148 F HA 0.475 5.002 4.527 0.001 0.000 0.325 148 F C 1.430 177.201 175.800 -0.048 0.000 1.066 148 F CA -1.279 56.664 58.000 -0.094 0.000 0.946 148 F CB 2.096 41.031 39.000 -0.109 0.000 1.199 148 F HN -0.160 nan 8.300 nan 0.000 0.473 149 Q N 2.005 121.904 119.800 0.165 0.000 2.187 149 Q HA 0.213 4.553 4.340 0.001 0.000 0.199 149 Q C 1.019 177.067 176.000 0.079 0.000 0.957 149 Q CA 1.104 56.948 55.803 0.069 0.000 0.857 149 Q CB -0.021 28.730 28.738 0.021 0.000 0.929 149 Q HN 1.009 nan 8.270 nan 0.000 0.453 150 G N 0.688 109.559 108.800 0.118 0.000 2.698 150 G HA2 -0.255 3.706 3.960 0.001 0.000 0.233 150 G HA3 -0.255 3.706 3.960 0.001 0.000 0.233 150 G C -2.527 172.364 174.900 -0.016 0.000 1.352 150 G CA -0.383 44.732 45.100 0.024 0.000 0.879 150 G HN 0.320 nan 8.290 nan 0.000 0.567 151 P HA 0.192 nan 4.420 nan 0.000 0.267 151 P C -1.697 175.537 177.300 -0.110 0.000 1.200 151 P CA -0.531 62.520 63.100 -0.082 0.000 0.772 151 P CB 0.273 31.922 31.700 -0.085 0.000 0.855 152 P HA -0.168 nan 4.420 nan 0.000 0.215 152 P C 0.932 177.803 177.300 -0.714 0.000 1.153 152 P CA 1.940 64.815 63.100 -0.375 0.000 0.853 152 P CB 0.027 31.537 31.700 -0.316 0.000 0.788 153 H N -3.188 115.869 119.070 -0.021 0.000 2.143 153 H HA 0.376 4.932 4.556 0.001 0.000 0.238 153 H C 1.140 176.464 175.328 -0.007 0.000 0.914 153 H CA 1.107 57.149 56.048 -0.011 0.000 1.154 153 H CB -0.025 29.733 29.762 -0.007 0.000 1.359 153 H HN 0.078 nan 8.280 nan 0.000 0.493 154 G N 0.902 109.762 108.800 0.101 0.000 2.707 154 G HA2 -0.190 3.770 3.960 0.001 0.000 0.686 154 G HA3 -0.190 3.770 3.960 0.001 0.000 0.686 154 G C 0.776 175.720 174.900 0.074 0.000 1.315 154 G CA -0.076 45.051 45.100 0.045 0.000 0.832 154 G HN 0.222 nan 8.290 nan 0.000 0.573 155 I N 0.231 120.830 120.570 0.049 0.000 2.151 155 I HA -0.288 3.883 4.170 0.001 0.000 0.243 155 I C 2.929 179.093 176.117 0.078 0.000 1.080 155 I CA 2.441 63.778 61.300 0.061 0.000 1.339 155 I CB -0.225 37.799 38.000 0.040 0.000 1.039 155 I HN 0.770 nan 8.210 nan 0.000 0.409 156 Q N 0.842 120.688 119.800 0.077 0.000 2.050 156 Q HA -0.223 4.117 4.340 0.001 0.000 0.202 156 Q C 2.406 178.469 176.000 0.106 0.000 0.980 156 Q CA 2.543 58.404 55.803 0.096 0.000 0.840 156 Q CB -0.160 28.627 28.738 0.081 0.000 0.898 156 Q HN 0.485 nan 8.270 nan 0.000 0.424 157 V N -0.158 119.815 119.914 0.099 0.000 2.548 157 V HA -0.201 3.920 4.120 0.001 0.000 0.249 157 V C 2.075 178.212 176.094 0.072 0.000 1.055 157 V CA 2.378 64.738 62.300 0.100 0.000 1.065 157 V CB -0.486 31.412 31.823 0.125 0.000 0.681 157 V HN 0.537 nan 8.190 nan 0.000 0.462 158 E N 0.404 120.652 120.200 0.080 0.000 2.038 158 E HA -0.273 4.077 4.350 0.001 0.000 0.195 158 E C 2.416 179.034 176.600 0.031 0.000 1.000 158 E CA 1.853 58.288 56.400 0.058 0.000 0.803 158 E CB -0.237 29.532 29.700 0.115 0.000 0.750 158 E HN 0.638 nan 8.360 nan 0.000 0.448 159 R N 0.363 120.876 120.500 0.022 0.000 2.105 159 R HA -0.132 4.209 4.340 0.001 0.000 0.239 159 R C 1.951 178.156 176.300 -0.158 0.000 1.135 159 R CA 1.474 57.511 56.100 -0.105 0.000 0.967 159 R CB -0.190 30.080 30.300 -0.050 0.000 0.861 159 R HN 0.322 nan 8.270 nan 0.000 0.442 160 D N 0.547 120.979 120.400 0.053 0.000 2.123 160 D HA -0.100 4.540 4.640 0.001 0.000 0.200 160 D C 1.796 178.120 176.300 0.041 0.000 0.976 160 D CA 0.918 54.992 54.000 0.123 0.000 0.831 160 D CB -0.030 40.863 40.800 0.154 0.000 0.974 160 D HN 0.023 nan 8.370 nan 0.000 0.469 161 K N 0.613 121.019 120.400 0.010 0.000 2.063 161 K HA -0.068 4.252 4.320 0.001 0.000 0.208 161 K C 2.173 178.762 176.600 -0.018 0.000 1.048 161 K CA 0.624 56.904 56.287 -0.012 0.000 0.928 161 K CB -0.379 32.090 32.500 -0.052 0.000 0.713 161 K HN 0.282 nan 8.250 nan 0.000 0.442 162 L N -0.003 121.192 121.223 -0.047 0.000 2.585 162 L HA 0.118 4.458 4.340 0.001 0.000 0.226 162 L C 0.502 177.300 176.870 -0.121 0.000 1.113 162 L CA -0.096 54.709 54.840 -0.059 0.000 0.876 162 L CB -0.358 41.676 42.059 -0.041 0.000 1.072 162 L HN 0.352 nan 8.230 nan 0.000 0.468 163 N N 1.461 120.052 118.700 -0.181 0.000 2.754 163 N HA -0.178 4.562 4.740 0.001 0.000 0.248 163 N C -0.404 174.861 175.510 -0.410 0.000 1.093 163 N CA 0.482 53.402 53.050 -0.217 0.000 0.699 163 N CB -0.334 38.137 38.487 -0.026 0.000 1.016 163 N HN 0.372 nan 8.380 nan 0.000 0.552 164 K N 1.323 121.322 120.400 -0.668 0.000 2.394 164 K HA 0.386 4.706 4.320 0.001 0.000 0.260 164 K C -1.415 174.776 176.600 -0.681 0.000 0.967 164 K CA -0.311 55.678 56.287 -0.497 0.000 0.855 164 K CB 0.982 33.319 32.500 -0.271 0.000 1.101 164 K HN 0.091 nan 8.250 nan 0.000 0.433 165 Y N -0.381 119.924 120.300 0.009 0.000 2.492 165 Y HA 0.441 4.991 4.550 0.001 0.000 0.346 165 Y C 0.946 176.853 175.900 0.013 0.000 0.997 165 Y CA -0.891 57.218 58.100 0.014 0.000 1.025 165 Y CB 2.569 41.038 38.460 0.015 0.000 1.263 165 Y HN 0.770 nan 8.280 nan 0.000 0.454 166 G N 1.828 110.729 108.800 0.168 0.000 2.159 166 G HA2 -0.145 3.815 3.960 0.001 0.000 0.227 166 G HA3 -0.145 3.815 3.960 0.001 0.000 0.227 166 G C -0.302 174.641 174.900 0.072 0.000 0.986 166 G CA -0.048 45.118 45.100 0.110 0.000 0.651 166 G HN 0.904 nan 8.290 nan 0.000 0.523 167 R N -1.501 119.035 120.500 0.060 0.000 2.687 167 R HA 0.559 4.899 4.340 0.001 0.000 0.265 167 R C -3.431 172.892 176.300 0.038 0.000 1.048 167 R CA -1.633 54.495 56.100 0.047 0.000 0.884 167 R CB 0.433 30.753 30.300 0.034 0.000 1.258 167 R HN 0.009 nan 8.270 nan 0.000 0.469 168 P HA -0.002 nan 4.420 nan 0.000 0.266 168 P C -0.394 176.916 177.300 0.018 0.000 1.193 168 P CA -0.026 63.096 63.100 0.036 0.000 0.770 168 P CB 0.421 32.154 31.700 0.055 0.000 0.836 169 L N 2.064 123.293 121.223 0.011 0.000 2.439 169 L HA 0.392 4.733 4.340 0.001 0.000 0.261 169 L C 0.386 177.279 176.870 0.039 0.000 1.153 169 L CA -0.611 54.227 54.840 -0.003 0.000 0.808 169 L CB 0.114 42.194 42.059 0.034 0.000 1.126 169 L HN 0.204 nan 8.230 nan 0.000 0.460 170 L N 0.869 122.100 121.223 0.014 0.000 2.349 170 L HA 0.658 4.998 4.340 0.001 0.000 0.278 170 L C 0.203 177.137 176.870 0.107 0.000 0.996 170 L CA -0.216 54.673 54.840 0.082 0.000 0.825 170 L CB 1.739 43.823 42.059 0.042 0.000 1.243 170 L HN 0.727 nan 8.230 nan 0.000 0.412 171 G N 0.856 109.754 108.800 0.164 0.000 3.211 171 G HA2 0.645 4.605 3.960 0.001 0.000 0.262 171 G HA3 0.645 4.605 3.960 0.001 0.000 0.262 171 G C -1.722 173.220 174.900 0.070 0.000 1.352 171 G CA -0.548 44.629 45.100 0.128 0.000 1.004 171 G HN 0.646 nan 8.290 nan 0.000 0.559 172 C N 0.171 119.456 119.300 -0.026 0.000 3.122 172 C HA 0.535 4.995 4.460 0.001 0.000 0.415 172 C C -0.252 174.699 174.990 -0.066 0.000 1.033 172 C CA -0.556 58.458 59.018 -0.007 0.000 1.262 172 C CB -0.029 27.725 27.740 0.024 0.000 1.641 172 C HN 0.873 nan 8.230 nan 0.000 0.540 173 T N 7.028 121.562 114.554 -0.034 0.000 2.851 173 T HA 0.372 4.722 4.350 0.001 0.000 0.298 173 T C 0.610 175.296 174.700 -0.023 0.000 0.977 173 T CA -0.262 61.824 62.100 -0.023 0.000 1.126 173 T CB 0.432 69.317 68.868 0.028 0.000 0.916 173 T HN 0.584 nan 8.240 nan 0.000 0.529 174 I N 3.797 124.331 120.570 -0.060 0.000 2.648 174 I HA 0.170 4.340 4.170 0.001 0.000 0.284 174 I C 0.851 176.926 176.117 -0.070 0.000 1.153 174 I CA 0.026 61.227 61.300 -0.166 0.000 1.426 174 I CB 0.076 37.730 38.000 -0.576 0.000 1.381 174 I HN 0.485 nan 8.210 nan 0.000 0.571 175 K N 6.341 126.710 120.400 -0.051 0.000 2.354 175 K HA 0.549 4.869 4.320 0.001 0.000 0.238 175 K C -2.372 174.233 176.600 0.009 0.000 1.068 175 K CA -1.637 54.655 56.287 0.008 0.000 0.925 175 K CB 0.011 32.530 32.500 0.032 0.000 1.286 175 K HN 0.281 nan 8.250 nan 0.000 0.500 176 P HA -0.204 nan 4.420 nan 0.000 0.228 176 P C 0.009 177.336 177.300 0.045 0.000 1.022 176 P CA 0.771 63.883 63.100 0.018 0.000 0.774 176 P CB -0.031 31.667 31.700 -0.004 0.000 0.594 177 K N 1.629 122.052 120.400 0.039 0.000 2.015 177 K HA -0.128 4.193 4.320 0.001 0.000 0.216 177 K C 1.147 177.799 176.600 0.086 0.000 1.052 177 K CA 1.276 57.604 56.287 0.068 0.000 0.937 177 K CB -0.110 32.414 32.500 0.040 0.000 0.719 177 K HN 0.415 nan 8.250 nan 0.000 0.446 178 L N -1.899 119.300 121.223 -0.041 0.000 2.323 178 L HA 0.408 4.749 4.340 0.001 0.000 0.265 178 L C 0.833 177.381 176.870 -0.537 0.000 1.012 178 L CA -0.278 54.402 54.840 -0.268 0.000 0.820 178 L CB 2.142 44.044 42.059 -0.263 0.000 1.334 178 L HN 0.523 nan 8.230 nan 0.000 0.427 179 G N 1.201 109.260 108.800 -1.235 0.000 2.218 179 G HA2 -0.188 3.772 3.960 0.001 0.000 0.216 179 G HA3 -0.188 3.772 3.960 0.001 0.000 0.216 179 G C -0.100 174.683 174.900 -0.195 0.000 0.994 179 G CA -0.531 44.108 45.100 -0.768 0.000 0.637 179 G HN 0.329 nan 8.290 nan 0.000 0.505 180 L N 2.171 123.421 121.223 0.045 0.000 2.436 180 L HA 0.558 4.898 4.340 0.001 0.000 0.265 180 L C 1.509 178.576 176.870 0.328 0.000 1.168 180 L CA 0.053 55.022 54.840 0.213 0.000 0.815 180 L CB 1.264 43.505 42.059 0.305 0.000 1.109 180 L HN 0.468 nan 8.230 nan 0.000 0.462 181 S N 0.972 116.805 115.700 0.222 0.000 2.669 181 S HA 0.388 4.858 4.470 0.001 0.000 0.270 181 S C 1.004 175.698 174.600 0.157 0.000 1.225 181 S CA -0.228 58.079 58.200 0.178 0.000 0.991 181 S CB 1.560 64.812 63.200 0.086 0.000 0.987 181 S HN 0.702 nan 8.310 nan 0.000 0.552 182 A N 1.402 124.287 122.820 0.107 0.000 1.884 182 A HA -0.182 4.138 4.320 0.001 0.000 0.219 182 A C 2.157 179.731 177.584 -0.017 0.000 1.197 182 A CA 2.054 54.172 52.037 0.134 0.000 0.637 182 A CB -1.037 18.117 19.000 0.256 0.000 0.827 182 A HN 0.913 nan 8.150 nan 0.000 0.450 183 K N -0.630 119.543 120.400 -0.378 0.000 2.155 183 K HA -0.107 4.213 4.320 0.001 0.000 0.203 183 K C 1.767 178.220 176.600 -0.244 0.000 1.052 183 K CA 1.435 57.295 56.287 -0.711 0.000 0.948 183 K CB -0.248 31.784 32.500 -0.780 0.000 0.728 183 K HN 0.671 nan 8.250 nan 0.000 0.448 184 N N -0.697 117.958 118.700 -0.074 0.000 2.216 184 N HA -0.148 4.592 4.740 0.001 0.000 0.183 184 N C 1.510 177.064 175.510 0.073 0.000 1.017 184 N CA 0.688 53.742 53.050 0.007 0.000 0.861 184 N CB -0.101 38.408 38.487 0.036 0.000 0.986 184 N HN 0.124 nan 8.380 nan 0.000 0.428 185 Y N 1.379 121.684 120.300 0.008 0.000 2.069 185 Y HA -0.231 4.319 4.550 0.000 0.000 0.278 185 Y C 2.517 178.420 175.900 0.004 0.000 1.175 185 Y CA 1.893 60.013 58.100 0.034 0.000 1.134 185 Y CB -0.766 37.739 38.460 0.075 0.000 0.965 185 Y HN 0.059 nan 8.280 nan 0.000 0.498 186 G N -0.849 108.041 108.800 0.149 0.000 2.408 186 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 186 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 186 G C 1.735 176.682 174.900 0.080 0.000 1.150 186 G CA 0.827 45.989 45.100 0.103 0.000 0.776 186 G HN 0.369 nan 8.290 nan 0.000 0.542 187 R N 0.665 121.193 120.500 0.045 0.000 2.091 187 R HA -0.009 4.331 4.340 0.001 0.000 0.238 187 R C 2.726 179.075 176.300 0.082 0.000 1.136 187 R CA 1.710 57.856 56.100 0.077 0.000 0.959 187 R CB -0.448 29.870 30.300 0.030 0.000 0.856 187 R HN 0.263 nan 8.270 nan 0.000 0.437 188 A N 0.508 123.334 122.820 0.011 0.000 1.873 188 A HA -0.064 4.256 4.320 0.001 0.000 0.215 188 A C 2.325 179.887 177.584 -0.037 0.000 1.186 188 A CA 1.458 53.474 52.037 -0.035 0.000 0.616 188 A CB -0.592 18.340 19.000 -0.113 0.000 0.823 188 A HN 0.224 nan 8.150 nan 0.000 0.442 189 V N -0.863 119.030 119.914 -0.034 0.000 2.282 189 V HA -0.336 3.784 4.120 0.001 0.000 0.249 189 V C 2.414 178.538 176.094 0.050 0.000 1.057 189 V CA 2.409 64.710 62.300 0.003 0.000 1.032 189 V CB -1.117 30.685 31.823 -0.035 0.000 0.645 189 V HN 0.761 nan 8.190 nan 0.000 0.447 190 Y N 1.404 121.697 120.300 -0.012 0.000 2.114 190 Y HA -0.207 4.343 4.550 0.000 0.000 0.284 190 Y C 2.592 178.493 175.900 0.002 0.000 1.143 190 Y CA 2.026 60.128 58.100 0.004 0.000 1.135 190 Y CB -0.388 38.081 38.460 0.016 0.000 0.980 190 Y HN 0.271 nan 8.280 nan 0.000 0.499 191 E N -0.251 119.752 120.200 -0.328 0.000 2.077 191 E HA -0.217 4.134 4.350 0.001 0.000 0.193 191 E C 2.487 178.936 176.600 -0.252 0.000 0.989 191 E CA 1.421 57.587 56.400 -0.391 0.000 0.800 191 E CB -0.951 28.658 29.700 -0.152 0.000 0.746 191 E HN 0.558 nan 8.360 nan 0.000 0.452 192 C N 0.817 120.032 119.300 -0.143 0.000 2.436 192 C HA -0.125 4.335 4.460 0.001 0.000 0.277 192 C C 2.655 177.582 174.990 -0.105 0.000 1.241 192 C CA 0.320 59.280 59.018 -0.097 0.000 1.721 192 C CB -0.949 26.761 27.740 -0.049 0.000 2.043 192 C HN 0.325 nan 8.230 nan 0.000 0.472 193 L N 1.507 122.674 121.223 -0.095 0.000 2.141 193 L HA -0.078 4.262 4.340 0.001 0.000 0.209 193 L C 2.692 179.503 176.870 -0.100 0.000 1.094 193 L CA 1.732 56.532 54.840 -0.068 0.000 0.763 193 L CB -1.188 40.866 42.059 -0.009 0.000 0.908 193 L HN 0.486 nan 8.230 nan 0.000 0.437 194 R N -0.830 119.553 120.500 -0.196 0.000 2.235 194 R HA -0.010 4.331 4.340 0.001 0.000 0.213 194 R C 1.708 177.928 176.300 -0.133 0.000 1.059 194 R CA 1.196 57.183 56.100 -0.187 0.000 0.997 194 R CB -0.583 29.483 30.300 -0.390 0.000 0.884 194 R HN 0.270 nan 8.270 nan 0.000 0.462 195 G N -0.614 108.106 108.800 -0.133 0.000 3.042 195 G HA2 0.278 4.238 3.960 0.001 0.000 0.212 195 G HA3 0.278 4.238 3.960 0.001 0.000 0.212 195 G C 0.819 175.672 174.900 -0.079 0.000 1.166 195 G CA 0.209 45.248 45.100 -0.102 0.000 0.767 195 G HN 0.550 nan 8.290 nan 0.000 0.546 196 G N -0.630 108.126 108.800 -0.074 0.000 2.273 196 G HA2 -0.166 3.794 3.960 0.001 0.000 0.162 196 G HA3 -0.166 3.794 3.960 0.001 0.000 0.162 196 G C 0.257 175.114 174.900 -0.073 0.000 1.006 196 G CA -0.366 44.696 45.100 -0.063 0.000 0.704 196 G HN 0.323 nan 8.290 nan 0.000 0.487 197 L N 1.128 122.306 121.223 -0.074 0.000 2.436 197 L HA 0.374 4.714 4.340 0.001 0.000 0.265 197 L C 1.078 177.875 176.870 -0.121 0.000 1.168 197 L CA -0.575 54.221 54.840 -0.073 0.000 0.815 197 L CB 0.537 42.573 42.059 -0.038 0.000 1.109 197 L HN 0.008 nan 8.230 nan 0.000 0.462 198 D N 0.957 121.230 120.400 -0.211 0.000 2.216 198 D HA 0.065 4.706 4.640 0.001 0.000 0.208 198 D C -0.119 175.916 176.300 -0.442 0.000 0.960 198 D CA 1.380 55.123 54.000 -0.428 0.000 0.861 198 D CB 0.363 40.712 40.800 -0.751 0.000 0.985 198 D HN 0.137 nan 8.370 nan 0.000 0.493 199 F N 0.246 120.178 119.950 -0.030 0.000 2.588 199 F HA 0.346 4.874 4.527 0.000 0.000 0.314 199 F C 0.682 176.359 175.800 -0.205 0.000 1.069 199 F CA -1.071 56.862 58.000 -0.112 0.000 0.931 199 F CB 1.748 40.666 39.000 -0.136 0.000 1.260 199 F HN -0.325 nan 8.300 nan 0.000 0.465 203 D N 1.168 121.692 120.400 0.207 0.000 2.400 203 D HA -0.045 4.595 4.640 0.001 0.000 0.238 203 D C 1.448 177.736 176.300 -0.021 0.000 1.157 203 D CA 0.118 54.171 54.000 0.088 0.000 0.889 203 D CB 1.136 42.017 40.800 0.134 0.000 1.199 203 D HN 0.435 nan 8.370 nan 0.000 0.436 204 E N 2.705 122.775 120.200 -0.216 0.000 2.209 204 E HA -0.247 4.104 4.350 0.001 0.000 0.196 204 E C 0.827 177.323 176.600 -0.173 0.000 0.993 204 E CA 1.234 57.400 56.400 -0.391 0.000 0.819 204 E CB -0.296 28.804 29.700 -0.999 0.000 0.745 204 E HN 0.519 nan 8.360 nan 0.000 0.477 205 N N 0.996 119.649 118.700 -0.078 0.000 2.299 205 N HA -0.016 4.724 4.740 0.001 0.000 0.187 205 N C 0.331 175.881 175.510 0.066 0.000 1.099 205 N CA 0.007 53.052 53.050 -0.007 0.000 0.867 205 N CB -0.171 38.321 38.487 0.008 0.000 0.974 205 N HN -0.058 nan 8.380 nan 0.000 0.477 206 V N 2.301 122.276 119.914 0.101 0.000 2.409 206 V HA 0.037 4.158 4.120 0.001 0.000 0.270 206 V C 0.407 176.548 176.094 0.078 0.000 1.019 206 V CA 0.276 62.654 62.300 0.130 0.000 1.066 206 V CB -1.079 30.831 31.823 0.144 0.000 1.021 206 V HN 0.344 nan 8.190 nan 0.000 0.476 207 N N 2.619 121.349 118.700 0.049 0.000 2.599 207 N HA 0.254 4.995 4.740 0.001 0.000 0.147 207 N C -0.237 175.305 175.510 0.052 0.000 1.447 207 N CA -0.477 52.599 53.050 0.043 0.000 1.107 207 N CB 0.550 39.040 38.487 0.005 0.000 1.169 207 N HN 0.495 nan 8.380 nan 0.000 0.388 208 S N 0.080 115.788 115.700 0.013 0.000 2.594 208 S HA 0.497 4.967 4.470 0.001 0.000 0.296 208 S C -1.567 172.961 174.600 -0.120 0.000 1.124 208 S CA -0.384 57.818 58.200 0.004 0.000 1.011 208 S CB 1.286 64.593 63.200 0.179 0.000 1.016 208 S HN 0.266 nan 8.310 nan 0.000 0.485 209 Q N 2.994 122.609 119.800 -0.309 0.000 2.553 209 Q HA 0.455 4.795 4.340 0.001 0.000 0.293 209 Q C -2.122 173.646 176.000 -0.387 0.000 1.038 209 Q CA -1.635 53.933 55.803 -0.391 0.000 0.777 209 Q CB 1.531 29.872 28.738 -0.661 0.000 1.487 209 Q HN 0.245 nan 8.270 nan 0.000 0.426 210 P HA -0.152 nan 4.420 nan 0.000 0.218 210 P C 0.524 177.807 177.300 -0.030 0.000 1.148 210 P CA 1.321 64.385 63.100 -0.060 0.000 0.822 210 P CB 0.060 31.786 31.700 0.044 0.000 0.784 211 F N -2.647 117.315 119.950 0.019 0.000 2.661 211 F HA 0.314 4.842 4.527 0.001 0.000 0.298 211 F C 0.888 176.701 175.800 0.022 0.000 1.137 211 F CA -0.011 58.003 58.000 0.022 0.000 1.454 211 F CB -0.487 38.532 39.000 0.031 0.000 1.103 211 F HN -0.199 nan 8.300 nan 0.000 0.577 212 M N 1.407 120.767 119.600 -0.399 0.000 2.528 212 M HA 0.275 4.755 4.480 0.001 0.000 0.173 212 M C -1.550 174.581 176.300 -0.283 0.000 0.930 212 M CA -0.425 54.732 55.300 -0.239 0.000 0.802 212 M CB 0.772 33.301 32.600 -0.118 0.000 2.774 212 M HN -0.160 nan 8.290 nan 0.000 0.391 213 R N 3.579 123.975 120.500 -0.175 0.000 2.490 213 R HA 0.275 4.615 4.340 0.001 0.000 0.278 213 R C 1.135 177.344 176.300 -0.151 0.000 1.069 213 R CA -0.125 55.872 56.100 -0.172 0.000 1.080 213 R CB 0.587 30.762 30.300 -0.207 0.000 1.030 213 R HN 0.954 nan 8.270 nan 0.000 0.491 214 W N 4.341 125.532 121.300 -0.181 0.000 2.335 214 W HA -0.196 4.464 4.660 0.000 0.000 0.311 214 W C 1.199 177.535 176.519 -0.305 0.000 1.213 214 W CA 0.846 58.062 57.345 -0.214 0.000 1.274 214 W CB -0.493 28.778 29.460 -0.314 0.000 1.148 214 W HN 0.584 nan 8.180 nan 0.000 0.498 215 R N 1.086 120.778 120.500 -1.346 0.000 2.092 215 R HA -0.143 4.197 4.340 0.001 0.000 0.231 215 R C 1.890 177.947 176.300 -0.405 0.000 1.119 215 R CA 2.049 57.403 56.100 -1.244 0.000 0.970 215 R CB -0.425 28.845 30.300 -1.717 0.000 0.864 215 R HN -0.011 nan 8.270 nan 0.000 0.440 216 D N 0.054 120.276 120.400 -0.297 0.000 2.123 216 D HA -0.209 4.431 4.640 0.001 0.000 0.196 216 D C 1.870 178.269 176.300 0.165 0.000 0.992 216 D CA 1.107 55.071 54.000 -0.060 0.000 0.833 216 D CB -0.217 40.591 40.800 0.013 0.000 0.954 216 D HN 0.270 nan 8.370 nan 0.000 0.455 217 R N -0.206 120.412 120.500 0.197 0.000 2.073 217 R HA -0.149 4.192 4.340 0.001 0.000 0.234 217 R C 2.309 178.862 176.300 0.422 0.000 1.134 217 R CA 1.042 57.322 56.100 0.299 0.000 0.952 217 R CB -0.309 30.113 30.300 0.203 0.000 0.850 217 R HN 0.023 nan 8.270 nan 0.000 0.433 218 F N 1.189 121.258 119.950 0.199 0.000 2.091 218 F HA -0.242 4.285 4.527 0.000 0.000 0.299 218 F C 2.297 178.176 175.800 0.133 0.000 1.103 218 F CA 1.176 59.311 58.000 0.225 0.000 1.228 218 F CB -1.049 38.196 39.000 0.409 0.000 0.984 218 F HN 0.109 nan 8.300 nan 0.000 0.477 219 L N -1.434 119.997 121.223 0.347 0.000 2.017 219 L HA -0.246 4.094 4.340 0.001 0.000 0.208 219 L C 2.350 179.225 176.870 0.008 0.000 1.073 219 L CA 1.507 56.416 54.840 0.115 0.000 0.745 219 L CB -0.476 41.572 42.059 -0.018 0.000 0.894 219 L HN -0.032 nan 8.230 nan 0.000 0.432 220 F N -0.837 119.183 119.950 0.117 0.000 2.259 220 F HA -0.155 4.373 4.527 0.001 0.000 0.298 220 F C 2.585 178.408 175.800 0.039 0.000 1.088 220 F CA 1.046 59.091 58.000 0.074 0.000 1.358 220 F CB -1.024 38.021 39.000 0.075 0.000 1.040 220 F HN 0.190 nan 8.300 nan 0.000 0.505 221 C N -0.309 119.100 119.300 0.182 0.000 2.440 221 C HA -0.063 4.398 4.460 0.001 0.000 0.278 221 C C 3.103 178.062 174.990 -0.052 0.000 1.295 221 C CA 0.864 59.871 59.018 -0.018 0.000 1.738 221 C CB -1.516 26.086 27.740 -0.229 0.000 1.987 221 C HN 0.502 nan 8.230 nan 0.000 0.492 222 A N 0.519 123.324 122.820 -0.025 0.000 1.883 222 A HA -0.259 4.062 4.320 0.001 0.000 0.217 222 A C 2.154 179.733 177.584 -0.009 0.000 1.186 222 A CA 2.028 54.002 52.037 -0.106 0.000 0.624 222 A CB -0.742 18.249 19.000 -0.014 0.000 0.822 222 A HN 0.712 nan 8.150 nan 0.000 0.444 223 E N -0.109 120.156 120.200 0.108 0.000 2.058 223 E HA -0.175 4.175 4.350 0.001 0.000 0.194 223 E C 2.159 178.828 176.600 0.114 0.000 0.997 223 E CA 1.254 57.744 56.400 0.151 0.000 0.801 223 E CB -0.294 29.492 29.700 0.143 0.000 0.746 223 E HN 0.520 nan 8.360 nan 0.000 0.450 224 A N 1.289 124.166 122.820 0.094 0.000 1.877 224 A HA -0.181 4.140 4.320 0.001 0.000 0.216 224 A C 2.249 179.906 177.584 0.121 0.000 1.186 224 A CA 1.777 53.879 52.037 0.109 0.000 0.620 224 A CB -0.840 18.237 19.000 0.129 0.000 0.822 224 A HN 0.429 nan 8.150 nan 0.000 0.443 225 L N -2.940 118.288 121.223 0.007 0.000 2.083 225 L HA -0.098 4.242 4.340 0.001 0.000 0.209 225 L C 2.232 179.102 176.870 -0.001 0.000 1.083 225 L CA 1.909 56.728 54.840 -0.034 0.000 0.752 225 L CB -1.330 40.651 42.059 -0.130 0.000 0.899 225 L HN 0.274 nan 8.230 nan 0.000 0.433 226 Y N 0.655 121.000 120.300 0.074 0.000 2.293 226 Y HA -0.109 4.442 4.550 0.001 0.000 0.291 226 Y C 2.767 178.702 175.900 0.058 0.000 1.137 226 Y CA 1.426 59.560 58.100 0.055 0.000 1.202 226 Y CB -0.681 37.799 38.460 0.034 0.000 0.990 226 Y HN 0.331 nan 8.280 nan 0.000 0.537 227 K N 0.157 120.676 120.400 0.198 0.000 2.097 227 K HA -0.118 4.202 4.320 0.001 0.000 0.205 227 K C 2.258 178.994 176.600 0.228 0.000 1.050 227 K CA 1.033 57.395 56.287 0.124 0.000 0.938 227 K CB -0.180 32.274 32.500 -0.076 0.000 0.718 227 K HN 0.224 nan 8.250 nan 0.000 0.442 228 A N 1.089 124.095 122.820 0.311 0.000 1.898 228 A HA -0.215 4.106 4.320 0.001 0.000 0.216 228 A C 2.085 179.757 177.584 0.146 0.000 1.181 228 A CA 1.514 53.707 52.037 0.261 0.000 0.620 228 A CB -0.643 18.465 19.000 0.179 0.000 0.819 228 A HN 0.521 nan 8.150 nan 0.000 0.442 229 Q N -0.534 119.348 119.800 0.136 0.000 2.077 229 Q HA -0.210 4.130 4.340 0.001 0.000 0.206 229 Q C 2.167 178.228 176.000 0.101 0.000 0.989 229 Q CA 1.937 57.807 55.803 0.112 0.000 0.853 229 Q CB -0.335 28.493 28.738 0.150 0.000 0.907 229 Q HN 0.631 nan 8.270 nan 0.000 0.418 230 A N 0.338 123.227 122.820 0.115 0.000 1.929 230 A HA -0.201 4.119 4.320 0.001 0.000 0.216 230 A C 1.850 179.480 177.584 0.076 0.000 1.176 230 A CA 1.454 53.541 52.037 0.083 0.000 0.628 230 A CB -0.551 18.494 19.000 0.075 0.000 0.816 230 A HN 0.595 nan 8.150 nan 0.000 0.444 231 E N -0.255 120.005 120.200 0.101 0.000 2.047 231 E HA -0.177 4.174 4.350 0.001 0.000 0.191 231 E C 2.051 178.689 176.600 0.063 0.000 0.987 231 E CA 1.906 58.362 56.400 0.093 0.000 0.799 231 E CB -0.082 29.706 29.700 0.146 0.000 0.752 231 E HN 0.720 nan 8.360 nan 0.000 0.449 232 T N -3.799 110.789 114.554 0.056 0.000 3.044 232 T HA 0.215 4.565 4.350 0.001 0.000 0.255 232 T C 1.516 176.231 174.700 0.025 0.000 1.073 232 T CA 0.668 62.787 62.100 0.031 0.000 1.125 232 T CB 0.439 69.317 68.868 0.016 0.000 0.908 232 T HN 0.350 nan 8.240 nan 0.000 0.480 233 G N 1.098 109.917 108.800 0.032 0.000 2.136 233 G HA2 -0.191 3.769 3.960 0.001 0.000 0.242 233 G HA3 -0.191 3.769 3.960 0.001 0.000 0.242 233 G C -0.313 174.598 174.900 0.018 0.000 0.989 233 G CA 0.123 45.239 45.100 0.027 0.000 0.682 233 G HN 0.673 nan 8.290 nan 0.000 0.522 234 E N -0.636 119.572 120.200 0.013 0.000 2.238 234 E HA 0.574 4.925 4.350 0.001 0.000 0.267 234 E C 0.274 176.871 176.600 -0.005 0.000 0.887 234 E CA -1.098 55.298 56.400 -0.007 0.000 0.769 234 E CB 1.856 31.538 29.700 -0.029 0.000 1.187 234 E HN 0.275 nan 8.360 nan 0.000 0.416 235 I N 2.802 123.362 120.570 -0.016 0.000 2.692 235 I HA 0.019 4.189 4.170 0.001 0.000 0.284 235 I C 0.326 176.427 176.117 -0.028 0.000 1.159 235 I CA 0.404 61.704 61.300 0.001 0.000 1.423 235 I CB 0.182 38.184 38.000 0.002 0.000 1.380 235 I HN 0.151 nan 8.210 nan 0.000 0.580 236 K N 4.094 124.503 120.400 0.014 0.000 2.385 236 K HA 0.745 5.065 4.320 0.001 0.000 0.248 236 K C -0.342 176.307 176.600 0.082 0.000 0.955 236 K CA -0.692 55.598 56.287 0.006 0.000 0.816 236 K CB 2.198 34.710 32.500 0.020 0.000 1.250 236 K HN 0.783 nan 8.250 nan 0.000 0.434 237 G N 0.308 109.225 108.800 0.195 0.000 2.619 237 G HA2 0.408 4.368 3.960 0.001 0.000 0.296 237 G HA3 0.408 4.368 3.960 0.001 0.000 0.296 237 G C -1.752 173.318 174.900 0.283 0.000 1.334 237 G CA -0.250 45.033 45.100 0.306 0.000 0.934 237 G HN 0.550 nan 8.290 nan 0.000 0.476 238 H N 0.739 119.854 119.070 0.075 0.000 2.744 238 H HA 0.339 4.895 4.556 0.000 0.000 0.339 238 H C -1.156 174.177 175.328 0.009 0.000 1.004 238 H CA -0.575 55.464 56.048 -0.015 0.000 1.257 238 H CB 1.380 31.124 29.762 -0.031 0.000 1.552 238 H HN 0.355 nan 8.280 nan 0.000 0.522 239 Y N 5.655 125.578 120.300 -0.628 0.000 2.584 239 Y HA 0.147 4.697 4.550 0.001 0.000 0.351 239 Y C 0.567 176.251 175.900 -0.359 0.000 1.030 239 Y CA -0.760 57.080 58.100 -0.434 0.000 1.332 239 Y CB -0.386 37.809 38.460 -0.442 0.000 1.148 239 Y HN 0.337 nan 8.280 nan 0.000 0.528 240 L N 3.841 125.000 121.223 -0.107 0.000 2.319 240 L HA 0.231 4.571 4.340 0.001 0.000 0.280 240 L C 0.567 177.365 176.870 -0.120 0.000 1.099 240 L CA -0.085 54.587 54.840 -0.281 0.000 0.828 240 L CB 0.531 42.035 42.059 -0.924 0.000 1.150 240 L HN 0.628 nan 8.230 nan 0.000 0.442 241 N N 1.590 120.321 118.700 0.052 0.000 2.444 241 N HA 0.327 5.068 4.740 0.001 0.000 0.271 241 N C 0.413 176.050 175.510 0.211 0.000 1.069 241 N CA -0.109 53.022 53.050 0.135 0.000 0.965 241 N CB 1.327 39.889 38.487 0.125 0.000 1.092 241 N HN 0.777 nan 8.380 nan 0.000 0.476 242 A N 2.503 125.408 122.820 0.141 0.000 2.348 242 A HA 0.126 4.446 4.320 0.001 0.000 0.224 242 A C 0.573 178.186 177.584 0.050 0.000 1.227 242 A CA -0.089 51.987 52.037 0.065 0.000 0.885 242 A CB 0.012 19.021 19.000 0.015 0.000 0.933 242 A HN 0.619 nan 8.150 nan 0.000 0.506 243 T N 1.598 116.224 114.554 0.121 0.000 2.946 243 T HA 0.464 4.814 4.350 0.001 0.000 0.311 243 T C 0.270 174.969 174.700 -0.003 0.000 1.063 243 T CA 0.945 63.106 62.100 0.102 0.000 1.139 243 T CB 0.840 69.704 68.868 -0.007 0.000 0.994 243 T HN 0.923 nan 8.240 nan 0.000 0.547 244 A N 1.829 124.643 122.820 -0.010 0.000 2.467 244 A HA 0.767 5.087 4.320 0.001 0.000 0.301 244 A C 1.116 178.677 177.584 -0.040 0.000 1.126 244 A CA -0.230 51.771 52.037 -0.060 0.000 0.632 244 A CB 0.265 19.187 19.000 -0.130 0.000 1.331 244 A HN 0.781 nan 8.150 nan 0.000 0.482 245 G N -0.967 107.804 108.800 -0.048 0.000 2.539 245 G HA2 0.401 4.362 3.960 0.001 0.000 0.215 245 G HA3 0.401 4.362 3.960 0.001 0.000 0.215 245 G C 0.652 175.534 174.900 -0.030 0.000 1.141 245 G CA 1.685 46.765 45.100 -0.033 0.000 0.806 245 G HN 1.642 nan 8.290 nan 0.000 0.533 246 T N -3.937 110.593 114.554 -0.041 0.000 2.901 246 T HA 0.318 4.668 4.350 0.001 0.000 0.293 246 T C 0.912 175.580 174.700 -0.053 0.000 1.084 246 T CA -0.310 61.766 62.100 -0.039 0.000 1.008 246 T CB 1.436 70.281 68.868 -0.039 0.000 1.170 246 T HN -0.094 nan 8.240 nan 0.000 0.509 247 C N 0.608 119.879 119.300 -0.049 0.000 2.429 247 C HA -0.008 4.453 4.460 0.001 0.000 0.277 247 C C 2.659 177.595 174.990 -0.090 0.000 1.262 247 C CA 0.903 59.880 59.018 -0.068 0.000 1.733 247 C CB -1.346 26.362 27.740 -0.053 0.000 2.010 247 C HN 1.034 nan 8.230 nan 0.000 0.483 248 E N 1.442 121.599 120.200 -0.072 0.000 2.070 248 E HA -0.205 4.145 4.350 0.001 0.000 0.197 248 E C 1.609 178.145 176.600 -0.107 0.000 1.004 248 E CA 1.712 58.066 56.400 -0.076 0.000 0.805 248 E CB -0.376 29.294 29.700 -0.049 0.000 0.744 248 E HN 0.551 nan 8.360 nan 0.000 0.451 249 D N -0.301 120.031 120.400 -0.113 0.000 2.117 249 D HA -0.139 4.502 4.640 0.001 0.000 0.197 249 D C 1.835 177.979 176.300 -0.261 0.000 0.987 249 D CA 0.853 54.752 54.000 -0.169 0.000 0.829 249 D CB -0.230 40.485 40.800 -0.141 0.000 0.961 249 D HN 0.159 nan 8.370 nan 0.000 0.460 250 M N -0.349 119.128 119.600 -0.204 0.000 2.086 250 M HA -0.180 4.300 4.480 0.001 0.000 0.261 250 M C 1.675 177.818 176.300 -0.261 0.000 1.067 250 M CA 1.250 56.420 55.300 -0.217 0.000 1.116 250 M CB 0.036 32.544 32.600 -0.154 0.000 1.348 250 M HN -0.079 nan 8.290 nan 0.000 0.407 251 M N 0.383 119.837 119.600 -0.243 0.000 2.159 251 M HA -0.181 4.300 4.480 0.001 0.000 0.263 251 M C 1.891 178.028 176.300 -0.271 0.000 1.063 251 M CA 1.738 56.860 55.300 -0.296 0.000 1.110 251 M CB -1.227 31.234 32.600 -0.232 0.000 1.374 251 M HN 0.288 nan 8.290 nan 0.000 0.411 252 K N -0.236 120.032 120.400 -0.219 0.000 2.147 252 K HA -0.121 4.199 4.320 0.001 0.000 0.205 252 K C 2.104 178.579 176.600 -0.209 0.000 1.049 252 K CA 1.083 57.281 56.287 -0.149 0.000 0.936 252 K CB -0.056 32.393 32.500 -0.085 0.000 0.722 252 K HN 0.389 nan 8.250 nan 0.000 0.446 253 R N 0.102 120.306 120.500 -0.494 0.000 2.093 253 R HA 0.036 4.376 4.340 0.001 0.000 0.224 253 R C 2.385 178.714 176.300 0.049 0.000 1.101 253 R CA 0.953 56.741 56.100 -0.520 0.000 0.979 253 R CB -0.272 29.549 30.300 -0.798 0.000 0.877 253 R HN 0.118 nan 8.270 nan 0.000 0.441 254 A N 1.315 124.088 122.820 -0.077 0.000 1.877 254 A HA -0.106 4.214 4.320 0.001 0.000 0.216 254 A C 2.408 180.027 177.584 0.059 0.000 1.186 254 A CA 1.343 53.360 52.037 -0.034 0.000 0.620 254 A CB -0.631 18.197 19.000 -0.287 0.000 0.822 254 A HN 0.086 nan 8.150 nan 0.000 0.443 255 V N -1.143 118.742 119.914 -0.048 0.000 2.324 255 V HA -0.278 3.842 4.120 0.001 0.000 0.250 255 V C 2.305 178.580 176.094 0.301 0.000 1.060 255 V CA 2.357 64.746 62.300 0.148 0.000 1.042 255 V CB -0.930 30.946 31.823 0.087 0.000 0.650 255 V HN 0.633 nan 8.190 nan 0.000 0.450 256 F N 1.215 121.295 119.950 0.217 0.000 2.206 256 F HA 0.030 4.557 4.527 0.000 0.000 0.298 256 F C 2.247 178.247 175.800 0.333 0.000 1.090 256 F CA 0.820 58.995 58.000 0.292 0.000 1.323 256 F CB -0.721 38.520 39.000 0.400 0.000 1.028 256 F HN 0.068 nan 8.300 nan 0.000 0.492 257 A N 1.076 124.076 122.820 0.302 0.000 1.883 257 A HA -0.216 4.105 4.320 0.001 0.000 0.217 257 A C 2.473 180.095 177.584 0.063 0.000 1.186 257 A CA 1.610 53.723 52.037 0.126 0.000 0.624 257 A CB -0.848 18.251 19.000 0.165 0.000 0.822 257 A HN 0.307 nan 8.150 nan 0.000 0.444 258 R N -0.002 120.586 120.500 0.147 0.000 2.115 258 R HA -0.224 4.117 4.340 0.001 0.000 0.239 258 R C 2.153 178.506 176.300 0.088 0.000 1.133 258 R CA 2.251 58.436 56.100 0.141 0.000 0.935 258 R CB -0.846 29.595 30.300 0.236 0.000 0.853 258 R HN 0.792 nan 8.270 nan 0.000 0.433 259 E N 0.189 120.446 120.200 0.094 0.000 2.130 259 E HA -0.201 4.149 4.350 0.001 0.000 0.196 259 E C 2.011 178.600 176.600 -0.018 0.000 0.998 259 E CA 1.409 57.848 56.400 0.064 0.000 0.806 259 E CB -0.131 29.663 29.700 0.158 0.000 0.738 259 E HN 0.370 nan 8.360 nan 0.000 0.459 260 L N -0.582 120.564 121.223 -0.129 0.000 2.478 260 L HA 0.070 4.410 4.340 0.001 0.000 0.223 260 L C 1.532 178.447 176.870 0.075 0.000 1.140 260 L CA 0.469 55.258 54.840 -0.085 0.000 0.842 260 L CB -0.097 41.834 42.059 -0.213 0.000 0.953 260 L HN 0.407 nan 8.230 nan 0.000 0.452 261 G N 0.775 109.614 108.800 0.065 0.000 2.179 261 G HA2 -0.257 3.703 3.960 0.001 0.000 0.257 261 G HA3 -0.257 3.703 3.960 0.001 0.000 0.257 261 G C 0.341 175.329 174.900 0.147 0.000 1.010 261 G CA 0.335 45.499 45.100 0.107 0.000 0.736 261 G HN 0.286 nan 8.290 nan 0.000 0.513 262 V N -2.737 117.228 119.914 0.084 0.000 3.036 262 V HA 0.797 4.917 4.120 0.001 0.000 0.308 262 V C -0.219 175.894 176.094 0.032 0.000 1.070 262 V CA -0.963 61.358 62.300 0.034 0.000 1.056 262 V CB 1.414 33.204 31.823 -0.054 0.000 1.084 262 V HN 0.029 nan 8.190 nan 0.000 0.471 263 P HA 0.335 nan 4.420 nan 0.000 0.234 263 P C 0.051 177.343 177.300 -0.013 0.000 1.175 263 P CA 0.648 63.761 63.100 0.023 0.000 0.801 263 P CB 0.697 32.435 31.700 0.064 0.000 0.891 264 I N 0.182 120.742 120.570 -0.017 0.000 2.680 264 I HA 0.267 4.438 4.170 0.001 0.000 0.291 264 I C -0.932 175.136 176.117 -0.081 0.000 1.244 264 I CA -1.249 59.998 61.300 -0.089 0.000 1.042 264 I CB 2.424 40.324 38.000 -0.168 0.000 1.277 264 I HN -0.301 nan 8.210 nan 0.000 0.423 265 V N 4.640 124.497 119.914 -0.095 0.000 3.234 265 V HA 0.740 4.861 4.120 0.001 0.000 0.317 265 V C -0.376 175.669 176.094 -0.082 0.000 1.147 265 V CA -0.751 61.510 62.300 -0.066 0.000 1.037 265 V CB 1.870 33.688 31.823 -0.007 0.000 1.148 265 V HN 0.885 nan 8.190 nan 0.000 0.455 266 M N 0.886 120.490 119.600 0.006 0.000 2.550 266 M HA 0.785 5.265 4.480 0.001 0.000 0.292 266 M C -1.234 175.162 176.300 0.160 0.000 1.221 266 M CA -0.511 54.836 55.300 0.079 0.000 0.873 266 M CB 2.166 34.864 32.600 0.163 0.000 1.727 266 M HN 0.992 nan 8.290 nan 0.000 0.459 267 H N -0.328 118.771 119.070 0.048 0.000 2.930 267 H HA 0.513 5.069 4.556 0.001 0.000 0.371 267 H C -1.967 173.414 175.328 0.087 0.000 1.169 267 H CA -0.462 55.610 56.048 0.040 0.000 1.157 267 H CB 1.940 31.709 29.762 0.011 0.000 1.789 267 H HN 0.769 nan 8.280 nan 0.000 0.547 268 D N 4.305 124.452 120.400 -0.423 0.000 2.456 268 D HA 0.031 4.671 4.640 0.001 0.000 0.219 268 D C 0.527 176.517 176.300 -0.516 0.000 1.126 268 D CA -0.193 53.627 54.000 -0.301 0.000 0.890 268 D CB 0.061 40.726 40.800 -0.225 0.000 1.025 268 D HN 0.617 nan 8.370 nan 0.000 0.511 269 Y N 0.962 121.031 120.300 -0.386 0.000 2.395 269 Y HA 0.065 4.615 4.550 0.001 0.000 0.293 269 Y C 1.360 177.014 175.900 -0.410 0.000 1.123 269 Y CA 0.635 58.526 58.100 -0.347 0.000 1.227 269 Y CB -0.342 38.001 38.460 -0.196 0.000 1.012 269 Y HN 0.206 nan 8.280 nan 0.000 0.552 270 L N 0.533 121.256 121.223 -0.834 0.000 2.162 270 L HA -0.044 4.297 4.340 0.001 0.000 0.205 270 L C 2.589 179.240 176.870 -0.365 0.000 1.086 270 L CA 1.477 55.897 54.840 -0.701 0.000 0.778 270 L CB -0.740 40.920 42.059 -0.665 0.000 0.928 270 L HN 0.422 nan 8.230 nan 0.000 0.446 271 T N -3.253 111.127 114.554 -0.290 0.000 2.896 271 T HA -0.025 4.325 4.350 0.001 0.000 0.263 271 T C 1.959 176.559 174.700 -0.165 0.000 1.050 271 T CA 0.840 62.827 62.100 -0.189 0.000 1.140 271 T CB -0.726 68.053 68.868 -0.147 0.000 0.877 271 T HN 0.317 nan 8.240 nan 0.000 0.457 272 G N 1.624 110.289 108.800 -0.225 0.000 2.421 272 G HA2 0.375 4.335 3.960 0.001 0.000 0.216 272 G HA3 0.375 4.335 3.960 0.001 0.000 0.216 272 G C 0.926 175.804 174.900 -0.037 0.000 1.171 272 G CA 0.360 45.400 45.100 -0.100 0.000 0.775 272 G HN 1.270 nan 8.290 nan 0.000 0.543 273 G N -2.093 106.637 108.800 -0.117 0.000 2.612 273 G HA2 -0.038 3.923 3.960 0.001 0.000 0.686 273 G HA3 -0.038 3.923 3.960 0.001 0.000 0.686 273 G C 0.121 174.998 174.900 -0.037 0.000 1.274 273 G CA -0.089 44.946 45.100 -0.109 0.000 0.849 273 G HN 0.117 nan 8.290 nan 0.000 0.595 274 F N 0.492 120.495 119.950 0.088 0.000 2.187 274 F HA 0.079 4.606 4.527 0.001 0.000 0.295 274 F C 3.147 178.971 175.800 0.041 0.000 1.091 274 F CA 2.150 60.201 58.000 0.086 0.000 1.308 274 F CB -0.658 38.367 39.000 0.041 0.000 1.030 274 F HN 0.566 nan 8.300 nan 0.000 0.487 275 T N 0.089 114.765 114.554 0.204 0.000 2.635 275 T HA -0.281 4.070 4.350 0.001 0.000 0.267 275 T C 2.263 176.987 174.700 0.040 0.000 1.040 275 T CA 1.719 63.876 62.100 0.094 0.000 1.156 275 T CB -0.766 68.145 68.868 0.071 0.000 0.863 275 T HN 0.278 nan 8.240 nan 0.000 0.430 276 A N 1.702 124.547 122.820 0.041 0.000 1.969 276 A HA -0.107 4.213 4.320 0.001 0.000 0.218 276 A C 2.254 179.790 177.584 -0.079 0.000 1.169 276 A CA 1.524 53.553 52.037 -0.013 0.000 0.635 276 A CB -0.696 18.318 19.000 0.024 0.000 0.810 276 A HN 0.559 nan 8.150 nan 0.000 0.445 277 N N -0.433 118.283 118.700 0.026 0.000 2.244 277 N HA -0.124 4.616 4.740 0.001 0.000 0.183 277 N C 1.484 176.951 175.510 -0.070 0.000 1.016 277 N CA 1.851 54.890 53.050 -0.018 0.000 0.866 277 N CB -0.080 38.532 38.487 0.208 0.000 0.980 277 N HN 0.422 nan 8.380 nan 0.000 0.430 278 T N -0.132 114.390 114.554 -0.054 0.000 2.777 278 T HA -0.067 4.284 4.350 0.001 0.000 0.266 278 T C 1.826 176.270 174.700 -0.427 0.000 1.040 278 T CA 1.544 63.518 62.100 -0.211 0.000 1.141 278 T CB -0.630 68.147 68.868 -0.152 0.000 0.868 278 T HN 0.273 nan 8.240 nan 0.000 0.444 279 T N 2.427 116.826 114.554 -0.258 0.000 2.653 279 T HA -0.119 4.231 4.350 0.001 0.000 0.268 279 T C 1.855 176.486 174.700 -0.115 0.000 1.035 279 T CA 1.241 63.235 62.100 -0.177 0.000 1.154 279 T CB -0.481 68.326 68.868 -0.102 0.000 0.862 279 T HN 0.128 nan 8.240 nan 0.000 0.441 280 L N 0.630 121.764 121.223 -0.148 0.000 2.109 280 L HA 0.145 4.485 4.340 0.001 0.000 0.207 280 L C 2.590 179.455 176.870 -0.009 0.000 1.086 280 L CA 1.567 56.346 54.840 -0.101 0.000 0.760 280 L CB -0.968 40.925 42.059 -0.277 0.000 0.910 280 L HN 0.152 nan 8.230 nan 0.000 0.437 281 S N -1.099 114.564 115.700 -0.062 0.000 2.365 281 S HA -0.259 4.211 4.470 0.001 0.000 0.225 281 S C 2.070 176.742 174.600 0.121 0.000 1.039 281 S CA 1.592 59.793 58.200 0.002 0.000 1.033 281 S CB -0.402 62.786 63.200 -0.020 0.000 0.887 281 S HN 0.681 nan 8.310 nan 0.000 0.447 282 H N -0.931 118.143 119.070 0.007 0.000 2.387 282 H HA -0.037 4.520 4.556 0.001 0.000 0.299 282 H C 1.778 177.114 175.328 0.012 0.000 1.090 282 H CA 1.558 57.605 56.048 -0.002 0.000 1.332 282 H CB -1.053 28.712 29.762 0.005 0.000 1.386 282 H HN 0.653 nan 8.280 nan 0.000 0.516 283 Y N 0.590 120.936 120.300 0.076 0.000 2.200 283 Y HA -0.204 4.346 4.550 0.001 0.000 0.290 283 Y C 2.436 178.355 175.900 0.032 0.000 1.137 283 Y CA 1.259 59.380 58.100 0.036 0.000 1.163 283 Y CB -0.492 37.972 38.460 0.006 0.000 0.988 283 Y HN 0.129 nan 8.280 nan 0.000 0.518 284 C N 0.230 119.602 119.300 0.121 0.000 2.440 284 C HA -0.091 4.369 4.460 0.001 0.000 0.278 284 C C 2.713 177.695 174.990 -0.013 0.000 1.295 284 C CA 1.260 60.317 59.018 0.065 0.000 1.738 284 C CB -1.181 26.622 27.740 0.105 0.000 1.987 284 C HN 0.565 nan 8.230 nan 0.000 0.492 285 R N 2.051 122.503 120.500 -0.079 0.000 2.073 285 R HA -0.100 4.240 4.340 0.001 0.000 0.234 285 R C 1.448 177.679 176.300 -0.115 0.000 1.134 285 R CA 1.997 58.000 56.100 -0.161 0.000 0.952 285 R CB -0.962 29.251 30.300 -0.146 0.000 0.850 285 R HN 0.409 nan 8.270 nan 0.000 0.433 286 D N -0.189 120.126 120.400 -0.141 0.000 2.351 286 D HA -0.092 4.548 4.640 0.001 0.000 0.216 286 D C 0.336 176.511 176.300 -0.209 0.000 0.968 286 D CA 0.916 54.815 54.000 -0.169 0.000 0.899 286 D CB -0.005 40.683 40.800 -0.186 0.000 0.907 286 D HN 0.369 nan 8.370 nan 0.000 0.514 287 N N -1.159 117.401 118.700 -0.234 0.000 2.184 287 N HA 0.122 4.863 4.740 0.001 0.000 0.234 287 N C 0.758 176.237 175.510 -0.051 0.000 1.282 287 N CA 0.392 53.317 53.050 -0.209 0.000 0.877 287 N CB 1.931 40.148 38.487 -0.450 0.000 1.184 287 N HN 0.076 nan 8.380 nan 0.000 0.510 288 G N 1.623 110.455 108.800 0.053 0.000 2.160 288 G HA2 -0.267 3.693 3.960 0.001 0.000 0.251 288 G HA3 -0.267 3.693 3.960 0.001 0.000 0.251 288 G C -0.157 174.769 174.900 0.043 0.000 1.008 288 G CA 0.111 45.278 45.100 0.111 0.000 0.724 288 G HN 0.240 nan 8.290 nan 0.000 0.514 289 L N 0.455 121.759 121.223 0.136 0.000 2.275 289 L HA 0.512 4.852 4.340 0.001 0.000 0.288 289 L C 1.197 178.123 176.870 0.093 0.000 1.046 289 L CA -1.055 53.826 54.840 0.068 0.000 0.805 289 L CB 1.203 43.319 42.059 0.096 0.000 1.193 289 L HN 0.065 nan 8.230 nan 0.000 0.426 290 L N 4.141 125.318 121.223 -0.077 0.000 2.490 290 L HA 0.042 4.382 4.340 0.001 0.000 0.274 290 L C -0.217 176.581 176.870 -0.121 0.000 1.201 290 L CA 0.002 54.797 54.840 -0.074 0.000 0.869 290 L CB 0.327 42.268 42.059 -0.197 0.000 1.123 290 L HN 0.402 nan 8.230 nan 0.000 0.484 291 L N 3.806 124.947 121.223 -0.137 0.000 2.324 291 L HA 0.313 4.653 4.340 0.001 0.000 0.274 291 L C -0.354 176.343 176.870 -0.289 0.000 1.012 291 L CA -0.244 54.500 54.840 -0.160 0.000 0.859 291 L CB 0.728 42.749 42.059 -0.064 0.000 1.224 291 L HN 0.453 nan 8.230 nan 0.000 0.429 292 H N 5.068 123.824 119.070 -0.525 0.000 2.690 292 H HA 0.489 5.045 4.556 0.001 0.000 0.314 292 H C -0.729 174.485 175.328 -0.189 0.000 1.069 292 H CA -0.334 55.375 56.048 -0.566 0.000 1.436 292 H CB 0.655 29.780 29.762 -1.061 0.000 1.462 292 H HN 0.481 nan 8.280 nan 0.000 0.511 293 I N 5.956 126.215 120.570 -0.519 0.000 2.354 293 I HA 0.110 4.280 4.170 0.001 0.000 0.292 293 I C 0.060 176.069 176.117 -0.180 0.000 0.989 293 I CA -0.419 60.740 61.300 -0.235 0.000 1.188 293 I CB 0.950 38.799 38.000 -0.252 0.000 1.342 293 I HN 0.743 nan 8.210 nan 0.000 0.457 294 H N 7.566 126.609 119.070 -0.044 0.000 2.458 294 H HA 0.334 4.890 4.556 0.000 0.000 0.330 294 H C 0.301 175.613 175.328 -0.028 0.000 1.111 294 H CA -0.458 55.519 56.048 -0.119 0.000 1.245 294 H CB 1.451 31.163 29.762 -0.084 0.000 1.456 294 H HN 0.592 nan 8.280 nan 0.000 0.488 295 R N 3.137 123.435 120.500 -0.338 0.000 2.480 295 R HA 0.399 4.739 4.340 0.001 0.000 0.277 295 R C 0.260 176.542 176.300 -0.030 0.000 1.008 295 R CA -0.385 55.683 56.100 -0.054 0.000 1.090 295 R CB -0.029 30.196 30.300 -0.125 0.000 1.234 295 R HN 0.383 nan 8.270 nan 0.000 0.549 296 A N 1.632 124.531 122.820 0.132 0.000 2.603 296 A HA -0.005 4.315 4.320 0.001 0.000 0.235 296 A C 1.006 178.591 177.584 0.002 0.000 1.035 296 A CA 1.041 53.166 52.037 0.147 0.000 0.755 296 A CB -0.160 18.940 19.000 0.166 0.000 0.954 296 A HN 0.839 nan 8.150 nan 0.000 0.511 297 M N 0.187 119.773 119.600 -0.024 0.000 2.995 297 M HA -0.312 4.168 4.480 0.001 0.000 0.207 297 M C 1.085 177.328 176.300 -0.096 0.000 0.593 297 M CA 1.961 57.211 55.300 -0.084 0.000 0.791 297 M CB -2.032 30.505 32.600 -0.105 0.000 2.827 297 M HN 1.284 nan 8.290 nan 0.000 0.293 298 H N -0.739 118.254 119.070 -0.128 0.000 2.352 298 H HA 0.172 4.728 4.556 0.001 0.000 0.299 298 H C 1.746 177.023 175.328 -0.085 0.000 1.097 298 H CA 2.103 58.097 56.048 -0.090 0.000 1.311 298 H CB -0.621 29.108 29.762 -0.055 0.000 1.377 298 H HN 0.494 nan 8.280 nan 0.000 0.504 299 A N 1.188 123.484 122.820 -0.873 0.000 2.125 299 A HA -0.048 4.272 4.320 0.001 0.000 0.219 299 A C 2.517 179.936 177.584 -0.274 0.000 1.156 299 A CA 1.191 52.864 52.037 -0.606 0.000 0.671 299 A CB -0.817 17.798 19.000 -0.642 0.000 0.794 299 A HN 0.374 nan 8.150 nan 0.000 0.459 300 V N -0.274 119.517 119.914 -0.204 0.000 2.392 300 V HA -0.268 3.853 4.120 0.001 0.000 0.249 300 V C 2.264 178.309 176.094 -0.082 0.000 1.059 300 V CA 2.238 64.466 62.300 -0.120 0.000 1.051 300 V CB -0.526 31.237 31.823 -0.101 0.000 0.658 300 V HN 0.621 nan 8.190 nan 0.000 0.455 301 I N 0.576 121.097 120.570 -0.083 0.000 2.731 301 I HA -0.034 4.136 4.170 0.001 0.000 0.260 301 I C 1.702 177.801 176.117 -0.031 0.000 1.138 301 I CA 1.174 62.441 61.300 -0.055 0.000 1.461 301 I CB -0.112 37.849 38.000 -0.064 0.000 1.128 301 I HN 0.463 nan 8.210 nan 0.000 0.438 302 D N -0.494 119.879 120.400 -0.045 0.000 2.431 302 D HA -0.027 4.613 4.640 0.001 0.000 0.213 302 D C 1.815 178.086 176.300 -0.048 0.000 1.130 302 D CA -0.026 53.956 54.000 -0.030 0.000 0.834 302 D CB 0.047 40.859 40.800 0.020 0.000 0.985 302 D HN -0.055 nan 8.370 nan 0.000 0.504 303 R N 0.269 120.736 120.500 -0.055 0.000 2.062 303 R HA 0.071 4.412 4.340 0.001 0.000 0.226 303 R C 0.431 176.737 176.300 0.010 0.000 1.125 303 R CA 1.152 57.225 56.100 -0.046 0.000 0.966 303 R CB -0.138 30.117 30.300 -0.074 0.000 0.861 303 R HN 0.037 nan 8.270 nan 0.000 0.433 304 Q N 0.580 120.400 119.800 0.034 0.000 2.235 304 Q HA 0.074 4.414 4.340 0.001 0.000 0.250 304 Q C 0.147 176.204 176.000 0.096 0.000 0.909 304 Q CA -0.008 55.833 55.803 0.063 0.000 0.910 304 Q CB 1.583 30.362 28.738 0.069 0.000 1.223 304 Q HN 0.142 nan 8.270 nan 0.000 0.432 305 K N 2.230 122.689 120.400 0.098 0.000 2.148 305 K HA -0.143 4.178 4.320 0.001 0.000 0.204 305 K C 1.242 177.905 176.600 0.106 0.000 1.050 305 K CA 1.416 57.770 56.287 0.111 0.000 0.942 305 K CB 0.314 32.871 32.500 0.096 0.000 0.724 305 K HN 0.578 nan 8.250 nan 0.000 0.446 306 N N -0.749 118.016 118.700 0.109 0.000 2.416 306 N HA -0.125 4.615 4.740 0.001 0.000 0.177 306 N C -0.187 175.430 175.510 0.177 0.000 1.036 306 N CA 0.879 54.000 53.050 0.119 0.000 0.901 306 N CB -0.013 38.539 38.487 0.108 0.000 0.976 306 N HN 0.250 nan 8.380 nan 0.000 0.444 307 H N -1.468 117.660 119.070 0.096 0.000 3.026 307 H HA 0.547 5.103 4.556 0.001 0.000 0.352 307 H C 0.097 175.518 175.328 0.155 0.000 1.090 307 H CA 0.297 56.432 56.048 0.145 0.000 1.268 307 H CB 1.415 31.249 29.762 0.119 0.000 1.816 307 H HN 0.333 nan 8.280 nan 0.000 0.518 308 G N 2.544 111.344 108.800 -0.001 0.000 2.250 308 G HA2 -0.015 3.945 3.960 0.001 0.000 0.196 308 G HA3 -0.015 3.945 3.960 0.001 0.000 0.196 308 G C -1.456 173.471 174.900 0.045 0.000 1.308 308 G CA -0.334 44.794 45.100 0.046 0.000 1.207 308 G HN 0.644 nan 8.290 nan 0.000 0.505 309 M N 0.744 120.336 119.600 -0.013 0.000 2.324 309 M HA 0.396 4.876 4.480 0.001 0.000 0.288 309 M C -0.385 175.937 176.300 0.038 0.000 1.097 309 M CA -0.808 54.479 55.300 -0.022 0.000 0.928 309 M CB 2.442 34.946 32.600 -0.161 0.000 1.648 309 M HN 0.746 nan 8.290 nan 0.000 0.460 310 H N 1.839 120.910 119.070 0.003 0.000 2.707 310 H HA 0.083 4.639 4.556 0.001 0.000 0.359 310 H C 0.195 175.576 175.328 0.088 0.000 1.113 310 H CA 0.665 56.754 56.048 0.068 0.000 1.422 310 H CB 0.876 30.675 29.762 0.061 0.000 1.443 310 H HN 0.786 nan 8.280 nan 0.000 0.591 311 F N 4.923 124.611 119.950 -0.437 0.000 2.192 311 F HA -0.235 4.292 4.527 0.001 0.000 0.301 311 F C 2.592 178.340 175.800 -0.087 0.000 1.079 311 F CA 1.817 59.669 58.000 -0.246 0.000 1.303 311 F CB -0.128 38.611 39.000 -0.437 0.000 1.024 311 F HN 0.678 nan 8.300 nan 0.000 0.494 312 R N -0.377 120.211 120.500 0.147 0.000 2.096 312 R HA -0.117 4.223 4.340 0.001 0.000 0.235 312 R C 1.830 178.086 176.300 -0.074 0.000 1.127 312 R CA 1.929 58.029 56.100 0.001 0.000 0.968 312 R CB -1.447 29.015 30.300 0.271 0.000 0.861 312 R HN 0.285 nan 8.270 nan 0.000 0.440 313 V N 1.999 121.914 119.914 0.001 0.000 2.358 313 V HA -0.175 3.945 4.120 0.001 0.000 0.246 313 V C 2.481 178.611 176.094 0.060 0.000 1.047 313 V CA 1.554 63.871 62.300 0.030 0.000 1.035 313 V CB -0.402 31.425 31.823 0.008 0.000 0.658 313 V HN 0.283 nan 8.190 nan 0.000 0.452 314 L N 0.068 121.272 121.223 -0.032 0.000 2.141 314 L HA -0.084 4.256 4.340 0.001 0.000 0.209 314 L C 2.666 179.490 176.870 -0.077 0.000 1.094 314 L CA 1.310 56.218 54.840 0.113 0.000 0.763 314 L CB -0.757 41.378 42.059 0.128 0.000 0.908 314 L HN 0.354 nan 8.230 nan 0.000 0.437 315 A N 0.188 122.659 122.820 -0.580 0.000 1.929 315 A HA -0.160 4.161 4.320 0.001 0.000 0.216 315 A C 2.342 179.802 177.584 -0.206 0.000 1.176 315 A CA 1.274 52.975 52.037 -0.560 0.000 0.628 315 A CB -0.210 18.280 19.000 -0.850 0.000 0.816 315 A HN 0.274 nan 8.150 nan 0.000 0.444 316 K N -0.227 120.131 120.400 -0.069 0.000 2.057 316 K HA -0.013 4.307 4.320 0.001 0.000 0.206 316 K C 2.301 178.914 176.600 0.021 0.000 1.050 316 K CA 1.008 57.357 56.287 0.103 0.000 0.935 316 K CB -0.297 32.321 32.500 0.197 0.000 0.715 316 K HN 0.420 nan 8.250 nan 0.000 0.439 317 A N 1.880 124.696 122.820 -0.007 0.000 1.908 317 A HA -0.162 4.158 4.320 0.001 0.000 0.218 317 A C 2.042 179.591 177.584 -0.059 0.000 1.181 317 A CA 1.102 53.049 52.037 -0.149 0.000 0.627 317 A CB -0.564 18.332 19.000 -0.173 0.000 0.818 317 A HN 0.250 nan 8.150 nan 0.000 0.445 318 L N -0.475 120.756 121.223 0.013 0.000 2.056 318 L HA -0.114 4.226 4.340 0.001 0.000 0.207 318 L C 2.462 179.225 176.870 -0.179 0.000 1.078 318 L CA 2.208 56.961 54.840 -0.146 0.000 0.749 318 L CB -0.826 40.914 42.059 -0.533 0.000 0.901 318 L HN 0.521 nan 8.230 nan 0.000 0.433 319 R N -0.412 119.966 120.500 -0.204 0.000 2.105 319 R HA -0.179 4.161 4.340 0.001 0.000 0.239 319 R C 2.376 178.565 176.300 -0.185 0.000 1.135 319 R CA 1.438 57.383 56.100 -0.258 0.000 0.967 319 R CB -0.081 29.931 30.300 -0.480 0.000 0.861 319 R HN 0.403 nan 8.270 nan 0.000 0.442 320 L N -0.886 120.225 121.223 -0.187 0.000 1.993 320 L HA -0.143 4.197 4.340 0.001 0.000 0.206 320 L C 2.596 179.434 176.870 -0.054 0.000 1.074 320 L CA 1.441 56.095 54.840 -0.310 0.000 0.746 320 L CB -0.761 40.760 42.059 -0.897 0.000 0.896 320 L HN 0.227 nan 8.230 nan 0.000 0.435 321 S N -0.873 114.820 115.700 -0.012 0.000 2.359 321 S HA -0.061 4.410 4.470 0.001 0.000 0.223 321 S C 0.819 175.462 174.600 0.072 0.000 1.039 321 S CA 1.336 59.608 58.200 0.120 0.000 1.042 321 S CB -0.344 62.979 63.200 0.205 0.000 0.915 321 S HN 0.653 nan 8.310 nan 0.000 0.439 322 G N -1.719 107.078 108.800 -0.005 0.000 2.760 322 G HA2 0.446 4.406 3.960 0.001 0.000 0.540 322 G HA3 0.446 4.406 3.960 0.001 0.000 0.540 322 G C -0.417 174.432 174.900 -0.085 0.000 1.476 322 G CA -0.393 44.685 45.100 -0.036 0.000 0.949 322 G HN 0.993 nan 8.290 nan 0.000 0.633 323 G N 0.155 108.885 108.800 -0.116 0.000 2.632 323 G HA2 0.615 4.576 3.960 0.001 0.000 0.292 323 G HA3 0.615 4.576 3.960 0.001 0.000 0.292 323 G C -0.193 174.643 174.900 -0.107 0.000 1.465 323 G CA 0.101 45.126 45.100 -0.125 0.000 0.824 323 G HN 0.355 nan 8.290 nan 0.000 0.509 324 D N -0.651 119.695 120.400 -0.091 0.000 2.301 324 D HA 0.096 4.736 4.640 0.001 0.000 0.206 324 D C 0.294 176.646 176.300 0.087 0.000 0.979 324 D CA 0.979 54.969 54.000 -0.016 0.000 0.874 324 D CB 0.373 41.169 40.800 -0.007 0.000 0.968 324 D HN 0.516 nan 8.370 nan 0.000 0.510 325 H N -0.640 118.308 119.070 -0.203 0.000 2.747 325 H HA 0.625 5.181 4.556 0.000 0.000 0.371 325 H C -0.732 174.401 175.328 -0.325 0.000 1.161 325 H CA -0.805 55.091 56.048 -0.253 0.000 1.167 325 H CB 3.113 32.696 29.762 -0.298 0.000 1.732 325 H HN -0.132 nan 8.280 nan 0.000 0.544 326 I N 1.177 121.661 120.570 -0.142 0.000 2.827 326 I HA 0.170 4.340 4.170 0.001 0.000 0.298 326 I C -0.714 175.354 176.117 -0.081 0.000 1.235 326 I CA -0.625 60.590 61.300 -0.142 0.000 1.021 326 I CB 2.303 40.237 38.000 -0.110 0.000 1.259 326 I HN 0.667 nan 8.210 nan 0.000 0.427 327 H N 4.288 123.239 119.070 -0.199 0.000 2.764 327 H HA 0.174 4.730 4.556 0.000 0.000 0.341 327 H C 0.368 175.602 175.328 -0.157 0.000 1.072 327 H CA 0.479 56.409 56.048 -0.197 0.000 1.444 327 H CB 1.304 30.888 29.762 -0.296 0.000 1.458 327 H HN 0.651 nan 8.280 nan 0.000 0.572 328 S N 1.539 117.227 115.700 -0.021 0.000 2.632 328 S HA 0.311 4.781 4.470 0.001 0.000 0.237 328 S C 0.928 175.641 174.600 0.188 0.000 1.037 328 S CA 0.098 58.406 58.200 0.180 0.000 1.009 328 S CB 1.182 64.577 63.200 0.324 0.000 0.974 328 S HN 1.067 nan 8.310 nan 0.000 0.544 329 G N 1.168 109.976 108.800 0.014 0.000 2.663 329 G HA2 -0.042 3.918 3.960 0.001 0.000 0.686 329 G HA3 -0.042 3.918 3.960 0.001 0.000 0.686 329 G C 0.248 175.196 174.900 0.080 0.000 1.288 329 G CA 0.111 45.231 45.100 0.034 0.000 0.836 329 G HN 0.915 nan 8.290 nan 0.000 0.584 330 T N -2.895 111.689 114.554 0.050 0.000 2.971 330 T HA 0.447 4.798 4.350 0.001 0.000 0.252 330 T C 1.891 176.671 174.700 0.134 0.000 1.022 330 T CA 1.409 63.557 62.100 0.081 0.000 0.980 330 T CB 0.405 69.210 68.868 -0.103 0.000 1.044 330 T HN 2.278 nan 8.240 nan 0.000 0.501 331 V N 0.840 120.800 119.914 0.076 0.000 0.516 331 V HA -0.345 3.776 4.120 0.001 0.000 0.092 331 V C 2.136 178.240 176.094 0.016 0.000 2.243 331 V CA 2.020 64.342 62.300 0.037 0.000 3.573 331 V CB -1.995 29.831 31.823 0.004 0.000 0.862 331 V HN 0.675 nan 8.190 nan 0.000 0.902 332 V N -0.960 118.940 119.914 -0.023 0.000 3.541 332 V HA 0.614 4.734 4.120 0.001 0.000 0.267 332 V C 1.330 177.359 176.094 -0.108 0.000 1.213 332 V CA 1.624 63.901 62.300 -0.038 0.000 1.149 332 V CB -0.201 31.588 31.823 -0.057 0.000 0.822 332 V HN 0.950 nan 8.190 nan 0.000 0.462 333 G N 1.368 110.047 108.800 -0.201 0.000 2.773 333 G HA2 0.271 4.231 3.960 0.001 0.000 0.186 333 G HA3 0.271 4.231 3.960 0.001 0.000 0.186 333 G C 0.781 175.427 174.900 -0.423 0.000 1.411 333 G CA 0.120 45.025 45.100 -0.325 0.000 1.054 333 G HN 0.465 nan 8.290 nan 0.000 0.579 334 K N -1.012 118.968 120.400 -0.701 0.000 2.361 334 K HA 0.232 4.552 4.320 0.001 0.000 0.196 334 K C 0.263 176.682 176.600 -0.303 0.000 1.039 334 K CA 0.224 56.040 56.287 -0.785 0.000 1.001 334 K CB -0.146 31.832 32.500 -0.871 0.000 0.795 334 K HN 0.236 nan 8.250 nan 0.000 0.495 335 L N 1.811 122.909 121.223 -0.208 0.000 2.330 335 L HA 0.344 4.684 4.340 0.001 0.000 0.271 335 L C -0.064 176.773 176.870 -0.056 0.000 1.013 335 L CA -1.087 53.683 54.840 -0.118 0.000 0.816 335 L CB 1.803 43.803 42.059 -0.098 0.000 1.287 335 L HN 0.104 nan 8.230 nan 0.000 0.435 336 E N 0.790 120.970 120.200 -0.033 0.000 2.384 336 E HA 0.434 4.785 4.350 0.001 0.000 0.266 336 E C -0.406 176.220 176.600 0.044 0.000 1.012 336 E CA -0.064 56.344 56.400 0.013 0.000 0.901 336 E CB 0.842 30.548 29.700 0.010 0.000 0.967 336 E HN 0.754 nan 8.360 nan 0.000 0.435 337 G N 4.124 112.965 108.800 0.069 0.000 2.269 337 G HA2 0.049 4.010 3.960 0.001 0.000 0.297 337 G HA3 0.049 4.010 3.960 0.001 0.000 0.297 337 G C -1.162 173.786 174.900 0.081 0.000 1.340 337 G CA -0.727 44.436 45.100 0.105 0.000 1.240 337 G HN 0.406 nan 8.290 nan 0.000 0.596 338 E N 1.646 121.900 120.200 0.090 0.000 2.360 338 E HA 0.122 4.473 4.350 0.001 0.000 0.269 338 E C 1.405 178.005 176.600 -0.000 0.000 1.022 338 E CA -0.501 55.931 56.400 0.054 0.000 0.887 338 E CB 1.961 31.705 29.700 0.074 0.000 0.990 338 E HN 0.662 nan 8.360 nan 0.000 0.426 339 R N 2.452 122.936 120.500 -0.027 0.000 2.094 339 R HA -0.207 4.134 4.340 0.001 0.000 0.239 339 R C 0.867 177.100 176.300 -0.111 0.000 1.137 339 R CA 1.984 58.033 56.100 -0.085 0.000 0.943 339 R CB 0.137 30.395 30.300 -0.071 0.000 0.850 339 R HN 0.446 nan 8.270 nan 0.000 0.433 340 D N 0.156 120.515 120.400 -0.068 0.000 2.117 340 D HA -0.112 4.528 4.640 0.001 0.000 0.198 340 D C 1.984 178.234 176.300 -0.083 0.000 0.982 340 D CA 1.095 55.052 54.000 -0.071 0.000 0.828 340 D CB -0.196 40.582 40.800 -0.037 0.000 0.967 340 D HN 0.318 nan 8.370 nan 0.000 0.464 341 I N 0.929 121.476 120.570 -0.039 0.000 2.264 341 I HA -0.254 3.916 4.170 0.001 0.000 0.248 341 I C 2.198 178.162 176.117 -0.255 0.000 1.111 341 I CA 1.067 62.366 61.300 -0.001 0.000 1.382 341 I CB -0.178 37.928 38.000 0.176 0.000 1.060 341 I HN -0.008 nan 8.210 nan 0.000 0.418 342 T N 0.932 115.233 114.554 -0.421 0.000 2.812 342 T HA -0.050 4.300 4.350 0.001 0.000 0.264 342 T C 1.936 176.199 174.700 -0.729 0.000 1.042 342 T CA 1.003 62.550 62.100 -0.921 0.000 1.140 342 T CB -0.227 68.397 68.868 -0.407 0.000 0.870 342 T HN 0.223 nan 8.240 nan 0.000 0.445 343 L N 0.853 121.845 121.223 -0.386 0.000 2.042 343 L HA -0.050 4.290 4.340 0.001 0.000 0.210 343 L C 2.973 179.740 176.870 -0.171 0.000 1.076 343 L CA 1.349 56.038 54.840 -0.252 0.000 0.749 343 L CB -1.187 40.761 42.059 -0.184 0.000 0.893 343 L HN 0.358 nan 8.230 nan 0.000 0.432 344 G N 1.364 110.073 108.800 -0.151 0.000 2.586 344 G HA2 -0.359 3.601 3.960 0.001 0.000 0.218 344 G HA3 -0.359 3.601 3.960 0.001 0.000 0.218 344 G C 1.265 176.204 174.900 0.064 0.000 1.216 344 G CA 1.419 46.499 45.100 -0.032 0.000 0.786 344 G HN 0.497 nan 8.290 nan 0.000 0.583 345 F N 0.453 120.481 119.950 0.130 0.000 2.512 345 F HA 0.302 4.829 4.527 0.000 0.000 0.296 345 F C 2.232 178.107 175.800 0.125 0.000 1.110 345 F CA 0.002 58.087 58.000 0.143 0.000 1.446 345 F CB -0.911 38.208 39.000 0.199 0.000 1.092 345 F HN 0.009 nan 8.300 nan 0.000 0.554 346 V N 1.470 121.494 119.914 0.183 0.000 2.287 346 V HA -0.281 3.839 4.120 0.001 0.000 0.248 346 V C 2.174 178.343 176.094 0.125 0.000 1.053 346 V CA 2.391 64.805 62.300 0.190 0.000 1.027 346 V CB -0.709 31.184 31.823 0.118 0.000 0.646 346 V HN 0.238 nan 8.190 nan 0.000 0.447 347 D N 0.067 120.518 120.400 0.085 0.000 2.117 347 D HA -0.124 4.517 4.640 0.001 0.000 0.197 347 D C 2.099 178.469 176.300 0.117 0.000 0.987 347 D CA 1.148 55.198 54.000 0.083 0.000 0.829 347 D CB -0.290 40.549 40.800 0.064 0.000 0.961 347 D HN 0.344 nan 8.370 nan 0.000 0.460 348 L N 0.018 121.343 121.223 0.170 0.000 2.191 348 L HA -0.120 4.220 4.340 0.001 0.000 0.212 348 L C 2.308 179.220 176.870 0.071 0.000 1.103 348 L CA 0.526 55.509 54.840 0.239 0.000 0.769 348 L CB -0.167 42.066 42.059 0.290 0.000 0.908 348 L HN 0.058 nan 8.230 nan 0.000 0.438 349 L N -1.231 119.992 121.223 0.001 0.000 2.249 349 L HA -0.017 4.324 4.340 0.001 0.000 0.207 349 L C 2.551 179.301 176.870 -0.199 0.000 1.090 349 L CA 0.697 55.448 54.840 -0.148 0.000 0.802 349 L CB -0.132 41.917 42.059 -0.017 0.000 0.947 349 L HN 0.125 nan 8.230 nan 0.000 0.453 350 R N -0.974 119.475 120.500 -0.085 0.000 2.237 350 R HA 0.100 4.440 4.340 0.001 0.000 0.195 350 R C -0.239 176.028 176.300 -0.054 0.000 0.956 350 R CA 0.112 56.174 56.100 -0.065 0.000 1.029 350 R CB 0.315 30.619 30.300 0.006 0.000 0.972 350 R HN 0.214 nan 8.270 nan 0.000 0.493 351 D N -0.138 120.251 120.400 -0.017 0.000 2.326 351 D HA 0.033 4.674 4.640 0.001 0.000 0.251 351 D C 0.076 176.461 176.300 0.142 0.000 1.023 351 D CA -0.333 53.711 54.000 0.073 0.000 0.966 351 D CB 1.448 42.324 40.800 0.126 0.000 1.156 351 D HN -0.180 nan 8.370 nan 0.000 0.494 352 D N -1.088 119.438 120.400 0.211 0.000 2.317 352 D HA -0.073 4.567 4.640 0.001 0.000 0.211 352 D C -0.701 175.881 176.300 0.470 0.000 0.966 352 D CA 0.635 54.827 54.000 0.321 0.000 0.876 352 D CB 0.242 41.174 40.800 0.220 0.000 0.927 352 D HN 0.287 nan 8.370 nan 0.000 0.519 353 Y N -0.799 119.645 120.300 0.239 0.000 2.436 353 Y HA 0.391 4.941 4.550 0.001 0.000 0.327 353 Y C -1.665 174.326 175.900 0.152 0.000 1.138 353 Y CA -0.763 57.438 58.100 0.167 0.000 1.042 353 Y CB 1.599 40.118 38.460 0.099 0.000 1.302 353 Y HN -0.307 nan 8.280 nan 0.000 0.439 354 T N 5.500 119.800 114.554 -0.424 0.000 2.937 354 T HA 0.242 4.592 4.350 0.001 0.000 0.297 354 T C -1.120 173.312 174.700 -0.447 0.000 0.991 354 T CA -0.744 61.187 62.100 -0.281 0.000 0.990 354 T CB 1.552 70.408 68.868 -0.019 0.000 0.991 354 T HN 0.653 nan 8.240 nan 0.000 0.440 355 E N 2.174 122.182 120.200 -0.320 0.000 2.331 355 E HA 0.211 4.561 4.350 0.001 0.000 0.272 355 E C 0.180 176.729 176.600 -0.085 0.000 1.036 355 E CA -0.694 55.582 56.400 -0.208 0.000 0.864 355 E CB 0.732 30.404 29.700 -0.046 0.000 1.035 355 E HN 0.435 nan 8.360 nan 0.000 0.408 356 K N 2.716 123.089 120.400 -0.044 0.000 2.548 356 K HA -0.195 4.125 4.320 0.001 0.000 0.277 356 K C -0.954 175.623 176.600 -0.038 0.000 1.001 356 K CA 0.971 57.245 56.287 -0.021 0.000 1.102 356 K CB 0.219 32.713 32.500 -0.010 0.000 0.848 356 K HN 0.382 nan 8.250 nan 0.000 0.487 357 D N 4.040 124.408 120.400 -0.054 0.000 2.445 357 D HA 0.144 4.784 4.640 0.001 0.000 0.236 357 D C 0.278 176.517 176.300 -0.100 0.000 1.315 357 D CA -0.483 53.480 54.000 -0.061 0.000 0.924 357 D CB 0.495 41.275 40.800 -0.035 0.000 1.447 357 D HN 0.482 nan 8.370 nan 0.000 0.532 358 R N 0.644 121.052 120.500 -0.154 0.000 2.152 358 R HA -0.078 4.262 4.340 0.001 0.000 0.232 358 R C 1.868 178.076 176.300 -0.153 0.000 1.117 358 R CA 1.244 57.200 56.100 -0.239 0.000 0.981 358 R CB -0.573 29.568 30.300 -0.265 0.000 0.870 358 R HN 0.507 nan 8.270 nan 0.000 0.451 359 S N 0.317 115.961 115.700 -0.093 0.000 2.447 359 S HA -0.073 4.397 4.470 0.001 0.000 0.233 359 S C 1.525 176.098 174.600 -0.046 0.000 1.006 359 S CA 0.678 58.843 58.200 -0.060 0.000 0.957 359 S CB -0.028 63.146 63.200 -0.043 0.000 0.773 359 S HN 0.285 nan 8.310 nan 0.000 0.507 360 R N 0.338 120.810 120.500 -0.046 0.000 2.507 360 R HA 0.334 4.674 4.340 0.001 0.000 0.298 360 R C 1.221 177.517 176.300 -0.007 0.000 0.999 360 R CA 0.299 56.383 56.100 -0.026 0.000 1.082 360 R CB 0.219 30.503 30.300 -0.028 0.000 1.246 360 R HN 0.525 nan 8.270 nan 0.000 0.553 361 G N 1.721 110.501 108.800 -0.032 0.000 2.148 361 G HA2 -0.278 3.682 3.960 0.001 0.000 0.254 361 G HA3 -0.278 3.682 3.960 0.001 0.000 0.254 361 G C 0.147 175.109 174.900 0.103 0.000 0.981 361 G CA -0.133 44.977 45.100 0.017 0.000 0.670 361 G HN 0.296 nan 8.290 nan 0.000 0.528 362 I N 0.862 121.449 120.570 0.029 0.000 2.281 362 I HA 0.302 4.472 4.170 0.001 0.000 0.293 362 I C 1.302 177.434 176.117 0.026 0.000 1.085 362 I CA -0.880 60.474 61.300 0.090 0.000 1.257 362 I CB 0.394 38.427 38.000 0.056 0.000 1.430 362 I HN 0.062 nan 8.210 nan 0.000 0.489 363 Y N 5.302 125.535 120.300 -0.112 0.000 2.457 363 Y HA 0.136 4.686 4.550 0.000 0.000 0.292 363 Y C 0.221 175.887 175.900 -0.390 0.000 1.125 363 Y CA 0.569 58.491 58.100 -0.296 0.000 1.254 363 Y CB -0.041 38.126 38.460 -0.489 0.000 1.012 363 Y HN 0.310 nan 8.280 nan 0.000 0.555 364 F N -1.849 118.212 119.950 0.184 0.000 2.591 364 F HA 0.340 4.867 4.527 0.000 0.000 0.309 364 F C 0.143 175.947 175.800 0.007 0.000 1.098 364 F CA -1.705 56.358 58.000 0.105 0.000 0.937 364 F CB 1.060 40.125 39.000 0.107 0.000 1.250 364 F HN -0.500 nan 8.300 nan 0.000 0.447 365 T N 2.103 116.756 114.554 0.165 0.000 2.888 365 T HA 0.268 4.619 4.350 0.001 0.000 0.301 365 T C -0.455 174.210 174.700 -0.059 0.000 1.001 365 T CA 0.117 62.206 62.100 -0.018 0.000 1.147 365 T CB 0.576 69.427 68.868 -0.028 0.000 0.931 365 T HN 0.474 nan 8.240 nan 0.000 0.541 366 Q N 2.185 121.877 119.800 -0.181 0.000 2.304 366 Q HA 0.533 4.873 4.340 0.001 0.000 0.270 366 Q C -1.200 174.616 176.000 -0.307 0.000 1.035 366 Q CA -0.392 55.260 55.803 -0.252 0.000 0.781 366 Q CB 1.578 30.184 28.738 -0.220 0.000 1.261 366 Q HN 0.583 nan 8.270 nan 0.000 0.444 367 S N 2.979 118.493 115.700 -0.310 0.000 2.578 367 S HA 0.486 4.956 4.470 0.001 0.000 0.301 367 S C -0.775 173.598 174.600 -0.380 0.000 1.091 367 S CA -0.496 57.622 58.200 -0.137 0.000 1.032 367 S CB 0.597 63.834 63.200 0.060 0.000 1.064 367 S HN 0.824 nan 8.310 nan 0.000 0.508 368 W N 0.797 122.141 121.300 0.074 0.000 2.870 368 W HA 0.219 4.879 4.660 0.001 0.000 0.358 368 W C 0.536 177.075 176.519 0.033 0.000 1.043 368 W CA -0.451 56.914 57.345 0.033 0.000 1.692 368 W CB -0.098 29.376 29.460 0.023 0.000 1.100 368 W HN 0.590 nan 8.180 nan 0.000 0.557 369 V N -0.119 119.913 119.914 0.197 0.000 5.482 369 V HA -0.390 3.731 4.120 0.001 0.000 0.262 369 V C 0.769 176.945 176.094 0.137 0.000 0.664 369 V CA 0.806 63.187 62.300 0.134 0.000 0.609 369 V CB -2.470 29.404 31.823 0.086 0.000 0.306 369 V HN 0.461 nan 8.190 nan 0.000 0.731 370 S N -2.026 113.769 115.700 0.158 0.000 3.084 370 S HA -0.214 4.257 4.470 0.001 0.000 0.277 370 S C 0.747 175.408 174.600 0.101 0.000 1.295 370 S CA 1.344 59.612 58.200 0.114 0.000 1.170 370 S CB -1.586 61.659 63.200 0.075 0.000 1.412 370 S HN 1.694 nan 8.310 nan 0.000 0.669 371 T N 3.660 118.302 114.554 0.146 0.000 2.819 371 T HA 0.173 4.523 4.350 0.001 0.000 0.282 371 T C -1.906 172.786 174.700 -0.014 0.000 1.013 371 T CA -0.078 62.072 62.100 0.083 0.000 1.159 371 T CB 0.016 68.979 68.868 0.158 0.000 1.007 371 T HN 0.144 nan 8.240 nan 0.000 0.514 372 P HA 0.185 nan 4.420 nan 0.000 0.266 372 P C 0.436 177.658 177.300 -0.130 0.000 1.193 372 P CA -0.072 62.995 63.100 -0.056 0.000 0.770 372 P CB 0.375 32.050 31.700 -0.041 0.000 0.836 373 G N 1.333 110.070 108.800 -0.105 0.000 2.444 373 G HA2 0.424 4.385 3.960 0.001 0.000 0.268 373 G HA3 0.424 4.385 3.960 0.001 0.000 0.268 373 G C -0.720 174.113 174.900 -0.112 0.000 1.203 373 G CA -0.398 44.615 45.100 -0.146 0.000 0.835 373 G HN 0.344 nan 8.290 nan 0.000 0.543 374 V N 2.573 122.402 119.914 -0.141 0.000 2.407 374 V HA 0.196 4.317 4.120 0.001 0.000 0.278 374 V C 0.152 176.210 176.094 -0.059 0.000 1.037 374 V CA -0.852 61.389 62.300 -0.099 0.000 0.900 374 V CB 1.344 33.081 31.823 -0.143 0.000 0.983 374 V HN 0.560 nan 8.190 nan 0.000 0.459 375 L N 9.312 130.511 121.223 -0.039 0.000 2.418 375 L HA 0.375 4.715 4.340 0.001 0.000 0.274 375 L C -1.943 174.851 176.870 -0.127 0.000 1.135 375 L CA -1.447 53.343 54.840 -0.083 0.000 0.870 375 L CB 0.702 42.682 42.059 -0.132 0.000 1.154 375 L HN 0.451 nan 8.230 nan 0.000 0.462 376 P HA 0.088 nan 4.420 nan 0.000 0.276 376 P C -0.990 176.144 177.300 -0.276 0.000 1.230 376 P CA -0.181 62.857 63.100 -0.104 0.000 0.776 376 P CB 1.452 33.171 31.700 0.032 0.000 0.888 377 V N 2.651 122.376 119.914 -0.314 0.000 2.409 377 V HA 0.725 4.846 4.120 0.001 0.000 0.291 377 V C -0.528 175.263 176.094 -0.506 0.000 1.020 377 V CA -0.888 61.149 62.300 -0.437 0.000 0.848 377 V CB 0.991 32.574 31.823 -0.400 0.000 0.990 377 V HN 0.670 nan 8.190 nan 0.000 0.430 378 A N 5.241 127.713 122.820 -0.580 0.000 2.276 378 A HA 0.837 5.157 4.320 0.001 0.000 0.300 378 A C 0.100 177.437 177.584 -0.412 0.000 1.235 378 A CA 0.220 51.935 52.037 -0.536 0.000 0.867 378 A CB 0.846 19.421 19.000 -0.708 0.000 1.137 378 A HN 1.757 nan 8.150 nan 0.000 0.527 379 S N 1.840 117.361 115.700 -0.297 0.000 2.535 379 S HA 0.737 5.207 4.470 0.001 0.000 0.272 379 S C -0.537 173.959 174.600 -0.174 0.000 1.149 379 S CA 0.421 58.471 58.200 -0.250 0.000 0.888 379 S CB 1.212 64.329 63.200 -0.138 0.000 1.110 379 S HN 2.627 nan 8.310 nan 0.000 0.463 380 G N 1.306 109.982 108.800 -0.206 0.000 2.881 380 G HA2 0.468 4.428 3.960 0.001 0.000 0.597 380 G HA3 0.468 4.428 3.960 0.001 0.000 0.597 380 G C 0.850 175.586 174.900 -0.272 0.000 1.188 380 G CA 0.388 45.383 45.100 -0.175 0.000 1.218 380 G HN 2.320 nan 8.290 nan 0.000 0.544 381 G N 0.084 108.742 108.800 -0.237 0.000 2.132 381 G HA2 0.019 3.979 3.960 0.001 0.000 0.228 381 G HA3 0.019 3.979 3.960 0.001 0.000 0.228 381 G C 0.505 175.356 174.900 -0.081 0.000 1.000 381 G CA 0.700 45.636 45.100 -0.274 0.000 0.693 381 G HN 2.206 nan 8.290 nan 0.000 0.515 382 I N -2.098 118.417 120.570 -0.093 0.000 2.750 382 I HA 0.990 5.161 4.170 0.001 0.000 0.308 382 I C 0.153 176.469 176.117 0.333 0.000 1.016 382 I CA -1.446 59.862 61.300 0.014 0.000 1.098 382 I CB 1.829 39.668 38.000 -0.267 0.000 1.279 382 I HN 0.332 nan 8.210 nan 0.000 0.454 383 H N 0.703 120.120 119.070 0.580 0.000 2.928 383 H HA 0.451 5.007 4.556 0.001 0.000 0.285 383 H C 0.623 176.034 175.328 0.138 0.000 1.438 383 H CA -0.411 55.739 56.048 0.170 0.000 1.176 383 H CB 0.548 30.115 29.762 -0.325 0.000 1.864 383 H HN 0.356 nan 8.280 nan 0.000 0.567 384 V N -2.738 117.247 119.914 0.119 0.000 2.317 384 V HA -0.269 3.851 4.120 0.001 0.000 0.251 384 V C 1.394 177.454 176.094 -0.057 0.000 1.065 384 V CA 1.953 64.197 62.300 -0.094 0.000 1.049 384 V CB -1.271 30.417 31.823 -0.225 0.000 0.651 384 V HN 0.791 nan 8.190 nan 0.000 0.450 385 W N -0.144 121.238 121.300 0.137 0.000 2.465 385 W HA 0.018 4.678 4.660 0.000 0.000 0.268 385 W C 2.657 179.107 176.519 -0.115 0.000 1.242 385 W CA 1.147 58.494 57.345 0.004 0.000 1.248 385 W CB -0.497 28.993 29.460 0.050 0.000 1.118 385 W HN 0.362 nan 8.180 nan 0.000 0.587 386 H N -0.670 118.466 119.070 0.111 0.000 2.546 386 H HA -0.044 4.512 4.556 0.000 0.000 0.277 386 H C 1.879 177.280 175.328 0.122 0.000 1.004 386 H CA 1.075 57.165 56.048 0.070 0.000 1.231 386 H CB -0.395 29.357 29.762 -0.016 0.000 1.382 386 H HN 0.191 nan 8.280 nan 0.000 0.580 387 M N 1.433 121.160 119.600 0.211 0.000 2.073 387 M HA -0.077 4.403 4.480 0.001 0.000 0.258 387 M C -0.862 175.529 176.300 0.150 0.000 1.070 387 M CA 1.564 56.969 55.300 0.174 0.000 1.103 387 M CB -0.993 31.646 32.600 0.066 0.000 1.321 387 M HN 0.068 nan 8.290 nan 0.000 0.405 388 P HA -0.158 nan 4.420 nan 0.000 0.214 388 P C 1.158 178.527 177.300 0.115 0.000 1.163 388 P CA 2.462 65.629 63.100 0.111 0.000 0.889 388 P CB -0.397 31.369 31.700 0.111 0.000 0.790 389 A N -0.853 122.047 122.820 0.133 0.000 1.902 389 A HA -0.178 4.142 4.320 0.001 0.000 0.217 389 A C 2.286 179.940 177.584 0.115 0.000 1.181 389 A CA 1.583 53.687 52.037 0.112 0.000 0.623 389 A CB -1.705 17.374 19.000 0.131 0.000 0.818 389 A HN 0.101 nan 8.150 nan 0.000 0.443 390 L N -0.737 120.590 121.223 0.174 0.000 2.012 390 L HA -0.194 4.146 4.340 0.001 0.000 0.210 390 L C 2.828 179.845 176.870 0.244 0.000 1.073 390 L CA 1.917 56.905 54.840 0.248 0.000 0.748 390 L CB -1.028 41.174 42.059 0.238 0.000 0.891 390 L HN 0.352 nan 8.230 nan 0.000 0.431 391 T N -1.225 113.432 114.554 0.172 0.000 2.746 391 T HA -0.210 4.140 4.350 0.001 0.000 0.267 391 T C 1.847 176.607 174.700 0.100 0.000 1.039 391 T CA 1.267 63.450 62.100 0.139 0.000 1.142 391 T CB -0.181 68.751 68.868 0.106 0.000 0.866 391 T HN 0.299 nan 8.240 nan 0.000 0.444 392 E N 0.921 121.162 120.200 0.069 0.000 2.077 392 E HA -0.089 4.262 4.350 0.001 0.000 0.193 392 E C 2.184 178.765 176.600 -0.032 0.000 0.989 392 E CA 0.981 57.396 56.400 0.025 0.000 0.800 392 E CB -0.228 29.485 29.700 0.022 0.000 0.746 392 E HN 0.511 nan 8.360 nan 0.000 0.452 393 I N -0.486 120.032 120.570 -0.087 0.000 2.233 393 I HA -0.231 3.940 4.170 0.001 0.000 0.243 393 I C 1.935 177.805 176.117 -0.412 0.000 1.093 393 I CA 1.066 62.173 61.300 -0.322 0.000 1.380 393 I CB -0.190 37.486 38.000 -0.541 0.000 1.067 393 I HN 0.022 nan 8.210 nan 0.000 0.413 394 F N 0.280 120.228 119.950 -0.003 0.000 2.582 394 F HA 0.349 4.876 4.527 0.000 0.000 0.290 394 F C 1.621 177.423 175.800 0.005 0.000 1.115 394 F CA 0.515 58.511 58.000 -0.006 0.000 1.445 394 F CB -0.622 38.371 39.000 -0.012 0.000 1.126 394 F HN 0.130 nan 8.300 nan 0.000 0.574 395 G N 0.831 109.724 108.800 0.155 0.000 2.697 395 G HA2 -0.307 3.654 3.960 0.001 0.000 0.240 395 G HA3 -0.307 3.654 3.960 0.001 0.000 0.240 395 G C 0.306 175.275 174.900 0.115 0.000 1.346 395 G CA 0.142 45.306 45.100 0.108 0.000 0.887 395 G HN 0.157 nan 8.290 nan 0.000 0.569 396 D N 0.510 120.961 120.400 0.085 0.000 2.149 396 D HA 0.000 4.641 4.640 0.001 0.000 0.198 396 D C 1.078 177.418 176.300 0.066 0.000 0.990 396 D CA 1.576 55.621 54.000 0.074 0.000 0.839 396 D CB -0.147 40.695 40.800 0.070 0.000 0.948 396 D HN 0.406 nan 8.370 nan 0.000 0.460 397 D N 0.505 120.948 120.400 0.070 0.000 2.619 397 D HA 0.182 4.822 4.640 0.001 0.000 0.224 397 D C -0.128 176.193 176.300 0.036 0.000 1.133 397 D CA 0.043 54.073 54.000 0.051 0.000 1.017 397 D CB -0.054 40.777 40.800 0.052 0.000 1.077 397 D HN 0.021 nan 8.370 nan 0.000 0.503 398 S N -1.402 114.297 115.700 -0.002 0.000 2.588 398 S HA 0.588 5.058 4.470 0.001 0.000 0.269 398 S C -0.850 173.680 174.600 -0.117 0.000 1.157 398 S CA -0.941 57.204 58.200 -0.091 0.000 0.824 398 S CB 1.653 64.786 63.200 -0.113 0.000 1.126 398 S HN -0.081 nan 8.310 nan 0.000 0.464 399 V N 1.894 121.685 119.914 -0.204 0.000 2.398 399 V HA 0.483 4.603 4.120 0.001 0.000 0.286 399 V C -0.627 175.357 176.094 -0.182 0.000 1.026 399 V CA -0.639 61.587 62.300 -0.125 0.000 0.868 399 V CB 0.910 32.668 31.823 -0.108 0.000 0.982 399 V HN 0.791 nan 8.190 nan 0.000 0.443 400 L N 5.242 126.409 121.223 -0.093 0.000 2.272 400 L HA 0.580 4.921 4.340 0.001 0.000 0.289 400 L C -0.095 176.678 176.870 -0.161 0.000 1.032 400 L CA -0.303 54.438 54.840 -0.166 0.000 0.810 400 L CB 1.053 43.119 42.059 0.011 0.000 1.205 400 L HN 0.609 nan 8.230 nan 0.000 0.422 401 Q N 3.659 123.218 119.800 -0.402 0.000 2.331 401 Q HA 0.512 4.852 4.340 0.001 0.000 0.267 401 Q C -1.462 174.241 176.000 -0.495 0.000 1.006 401 Q CA -0.414 55.228 55.803 -0.267 0.000 0.818 401 Q CB 2.408 31.051 28.738 -0.158 0.000 1.276 401 Q HN 0.448 nan 8.270 nan 0.000 0.450 402 F N 1.096 121.020 119.950 -0.043 0.000 2.443 402 F HA 0.338 4.865 4.527 0.000 0.000 0.369 402 F C 0.924 176.702 175.800 -0.036 0.000 1.090 402 F CA -0.685 57.286 58.000 -0.050 0.000 1.129 402 F CB 1.179 40.146 39.000 -0.054 0.000 1.367 402 F HN 0.736 nan 8.300 nan 0.000 0.465 403 G N 1.495 110.338 108.800 0.070 0.000 2.654 403 G HA2 0.043 4.003 3.960 0.001 0.000 0.215 403 G HA3 0.043 4.003 3.960 0.001 0.000 0.215 403 G C 1.816 176.766 174.900 0.082 0.000 1.310 403 G CA 0.605 45.739 45.100 0.057 0.000 0.866 403 G HN 0.724 nan 8.290 nan 0.000 0.558 404 G N 0.824 109.668 108.800 0.072 0.000 2.597 404 G HA2 -0.116 3.845 3.960 0.001 0.000 0.222 404 G HA3 -0.116 3.845 3.960 0.001 0.000 0.222 404 G C 1.720 176.684 174.900 0.106 0.000 1.135 404 G CA 1.598 46.759 45.100 0.103 0.000 0.759 404 G HN 0.819 nan 8.290 nan 0.000 0.595 405 G N -1.112 107.694 108.800 0.010 0.000 2.679 405 G HA2 0.158 4.118 3.960 0.001 0.000 0.212 405 G HA3 0.158 4.118 3.960 0.001 0.000 0.212 405 G C 1.503 176.463 174.900 0.100 0.000 1.137 405 G CA 1.659 46.673 45.100 -0.143 0.000 0.787 405 G HN 0.462 nan 8.290 nan 0.000 0.534 406 T N 0.165 114.823 114.554 0.173 0.000 3.085 406 T HA 0.109 4.459 4.350 0.001 0.000 0.241 406 T C 1.898 176.712 174.700 0.189 0.000 0.988 406 T CA -0.080 62.115 62.100 0.157 0.000 1.117 406 T CB 0.002 68.921 68.868 0.086 0.000 0.978 406 T HN 0.058 nan 8.240 nan 0.000 0.454 407 L N 1.524 122.842 121.223 0.159 0.000 2.599 407 L HA 0.327 4.668 4.340 0.001 0.000 0.230 407 L C 2.166 179.152 176.870 0.193 0.000 1.141 407 L CA 0.672 55.594 54.840 0.137 0.000 0.877 407 L CB -0.170 41.936 42.059 0.078 0.000 1.009 407 L HN 0.371 nan 8.230 nan 0.000 0.447 408 G N -2.992 105.994 108.800 0.309 0.000 3.126 408 G HA2 -0.056 3.904 3.960 0.001 0.000 0.224 408 G HA3 -0.056 3.904 3.960 0.001 0.000 0.224 408 G C 0.511 175.598 174.900 0.313 0.000 1.142 408 G CA -0.287 45.029 45.100 0.360 0.000 0.759 408 G HN 0.261 nan 8.290 nan 0.000 0.550 409 H N 1.871 121.073 119.070 0.219 0.000 2.815 409 H HA 0.090 4.647 4.556 0.001 0.000 0.350 409 H C -1.086 174.198 175.328 -0.075 0.000 1.080 409 H CA -1.005 55.031 56.048 -0.020 0.000 1.433 409 H CB 2.080 31.855 29.762 0.022 0.000 1.432 409 H HN -0.001 nan 8.280 nan 0.000 0.592 410 P HA -0.124 nan 4.420 nan 0.000 0.220 410 P C 0.664 178.148 177.300 0.307 0.000 1.148 410 P CA 1.083 64.117 63.100 -0.110 0.000 0.803 410 P CB 0.115 31.638 31.700 -0.295 0.000 0.782 411 W N 0.393 121.872 121.300 0.297 0.000 3.239 411 W HA 0.519 5.179 4.660 -0.000 0.000 0.348 411 W C 1.033 177.620 176.519 0.113 0.000 1.183 411 W CA 0.294 57.754 57.345 0.190 0.000 1.819 411 W CB -0.760 28.811 29.460 0.186 0.000 1.091 411 W HN 0.041 nan 8.180 nan 0.000 0.629 412 G N 1.058 110.042 108.800 0.308 0.000 2.655 412 G HA2 -0.293 3.667 3.960 0.001 0.000 0.680 412 G HA3 -0.293 3.667 3.960 0.001 0.000 0.680 412 G C 0.630 175.568 174.900 0.063 0.000 1.302 412 G CA -0.208 44.983 45.100 0.151 0.000 0.872 412 G HN -0.016 nan 8.290 nan 0.000 0.540 413 N N -0.013 118.699 118.700 0.019 0.000 2.120 413 N HA 0.017 4.757 4.740 0.001 0.000 0.188 413 N C 2.753 178.210 175.510 -0.087 0.000 1.024 413 N CA 2.607 55.642 53.050 -0.026 0.000 0.852 413 N CB -0.647 37.819 38.487 -0.035 0.000 1.003 413 N HN 1.099 nan 8.380 nan 0.000 0.424 414 A N 1.396 124.159 122.820 -0.095 0.000 1.858 414 A HA -0.053 4.268 4.320 0.001 0.000 0.216 414 A C -0.186 177.315 177.584 -0.138 0.000 1.190 414 A CA 1.440 53.405 52.037 -0.120 0.000 0.617 414 A CB -1.540 17.391 19.000 -0.114 0.000 0.827 414 A HN 0.220 nan 8.150 nan 0.000 0.443 415 P HA -0.039 nan 4.420 nan 0.000 0.219 415 P C 1.683 178.579 177.300 -0.673 0.000 1.150 415 P CA 1.536 64.465 63.100 -0.285 0.000 0.814 415 P CB -0.302 31.355 31.700 -0.072 0.000 0.787 416 G N 0.287 108.705 108.800 -0.637 0.000 2.418 416 G HA2 -0.260 3.701 3.960 0.001 0.000 0.217 416 G HA3 -0.260 3.701 3.960 0.001 0.000 0.217 416 G C 1.619 176.393 174.900 -0.210 0.000 1.158 416 G CA 0.959 45.823 45.100 -0.394 0.000 0.771 416 G HN 0.308 nan 8.290 nan 0.000 0.545 417 A N 0.046 122.762 122.820 -0.173 0.000 1.897 417 A HA 0.152 4.473 4.320 0.001 0.000 0.215 417 A C 2.603 180.101 177.584 -0.143 0.000 1.181 417 A CA 1.640 53.599 52.037 -0.130 0.000 0.620 417 A CB -0.615 18.323 19.000 -0.105 0.000 0.821 417 A HN 0.234 nan 8.150 nan 0.000 0.443 418 V N 0.155 119.980 119.914 -0.148 0.000 2.287 418 V HA -0.314 3.807 4.120 0.001 0.000 0.248 418 V C 3.084 179.092 176.094 -0.143 0.000 1.053 418 V CA 2.113 64.343 62.300 -0.117 0.000 1.027 418 V CB -1.363 30.406 31.823 -0.089 0.000 0.646 418 V HN 0.623 nan 8.190 nan 0.000 0.447 419 A N 0.327 123.033 122.820 -0.191 0.000 1.873 419 A HA -0.333 3.987 4.320 0.001 0.000 0.218 419 A C 2.038 179.492 177.584 -0.217 0.000 1.193 419 A CA 2.638 54.559 52.037 -0.193 0.000 0.629 419 A CB -0.993 17.930 19.000 -0.129 0.000 0.826 419 A HN 0.706 nan 8.150 nan 0.000 0.447 420 N N -1.332 117.216 118.700 -0.253 0.000 2.120 420 N HA -0.178 4.562 4.740 0.001 0.000 0.188 420 N C 1.994 177.363 175.510 -0.234 0.000 1.024 420 N CA 1.385 54.214 53.050 -0.369 0.000 0.852 420 N CB -0.136 38.039 38.487 -0.519 0.000 1.003 420 N HN 0.435 nan 8.380 nan 0.000 0.424 421 R N 1.137 121.546 120.500 -0.150 0.000 2.066 421 R HA 0.000 4.341 4.340 0.001 0.000 0.232 421 R C 1.784 178.055 176.300 -0.048 0.000 1.131 421 R CA 1.072 57.123 56.100 -0.081 0.000 0.955 421 R CB -0.788 29.477 30.300 -0.057 0.000 0.851 421 R HN 0.015 nan 8.270 nan 0.000 0.432 422 V N 0.907 120.789 119.914 -0.053 0.000 2.343 422 V HA -0.209 3.911 4.120 0.001 0.000 0.247 422 V C 2.337 178.403 176.094 -0.047 0.000 1.051 422 V CA 1.947 64.240 62.300 -0.011 0.000 1.036 422 V CB -0.908 30.857 31.823 -0.096 0.000 0.654 422 V HN 0.545 nan 8.190 nan 0.000 0.451 423 A N -0.343 122.401 122.820 -0.127 0.000 1.898 423 A HA -0.182 4.139 4.320 0.001 0.000 0.216 423 A C 2.152 179.704 177.584 -0.054 0.000 1.181 423 A CA 2.041 54.000 52.037 -0.131 0.000 0.620 423 A CB -0.543 18.337 19.000 -0.199 0.000 0.819 423 A HN 0.452 nan 8.150 nan 0.000 0.442 424 L N 0.150 121.346 121.223 -0.045 0.000 2.017 424 L HA -0.140 4.200 4.340 0.001 0.000 0.208 424 L C 2.233 179.121 176.870 0.030 0.000 1.073 424 L CA 2.399 57.242 54.840 0.005 0.000 0.745 424 L CB -0.645 41.420 42.059 0.011 0.000 0.894 424 L HN 0.511 nan 8.230 nan 0.000 0.432 425 E N -0.350 119.872 120.200 0.035 0.000 2.110 425 E HA -0.240 4.110 4.350 0.001 0.000 0.193 425 E C 2.148 178.795 176.600 0.078 0.000 0.988 425 E CA 1.080 57.515 56.400 0.058 0.000 0.804 425 E CB -0.325 29.416 29.700 0.069 0.000 0.745 425 E HN 0.671 nan 8.360 nan 0.000 0.458 426 A N 1.011 123.889 122.820 0.096 0.000 1.883 426 A HA -0.224 4.096 4.320 0.001 0.000 0.217 426 A C 2.477 180.105 177.584 0.074 0.000 1.186 426 A CA 1.411 53.515 52.037 0.111 0.000 0.624 426 A CB -0.942 18.116 19.000 0.098 0.000 0.822 426 A HN 0.363 nan 8.150 nan 0.000 0.444 427 C N -1.326 118.007 119.300 0.054 0.000 2.429 427 C HA -0.059 4.401 4.460 0.001 0.000 0.277 427 C C 2.861 177.885 174.990 0.056 0.000 1.262 427 C CA 1.131 60.182 59.018 0.055 0.000 1.733 427 C CB -1.285 26.488 27.740 0.056 0.000 2.010 427 C HN 0.629 nan 8.230 nan 0.000 0.483 428 V N 0.780 120.727 119.914 0.055 0.000 2.358 428 V HA -0.276 3.844 4.120 0.001 0.000 0.246 428 V C 2.293 178.415 176.094 0.046 0.000 1.047 428 V CA 2.595 64.925 62.300 0.051 0.000 1.035 428 V CB -0.899 30.953 31.823 0.049 0.000 0.658 428 V HN 0.701 nan 8.190 nan 0.000 0.452 429 Q N 0.065 119.894 119.800 0.048 0.000 2.061 429 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 429 Q C 2.298 178.323 176.000 0.041 0.000 0.984 429 Q CA 2.493 58.320 55.803 0.041 0.000 0.846 429 Q CB -0.505 28.258 28.738 0.042 0.000 0.902 429 Q HN 0.790 nan 8.270 nan 0.000 0.421 430 A N 1.320 124.170 122.820 0.049 0.000 1.877 430 A HA -0.240 4.081 4.320 0.001 0.000 0.216 430 A C 2.140 179.749 177.584 0.041 0.000 1.186 430 A CA 1.624 53.689 52.037 0.047 0.000 0.620 430 A CB -0.808 18.224 19.000 0.054 0.000 0.822 430 A HN 0.468 nan 8.150 nan 0.000 0.443 431 R N 0.132 120.658 120.500 0.043 0.000 2.094 431 R HA -0.203 4.138 4.340 0.001 0.000 0.239 431 R C 1.925 178.245 176.300 0.033 0.000 1.137 431 R CA 2.126 58.249 56.100 0.039 0.000 0.943 431 R CB -0.608 29.718 30.300 0.043 0.000 0.850 431 R HN 0.747 nan 8.270 nan 0.000 0.433 432 N N -0.040 118.680 118.700 0.033 0.000 2.223 432 N HA -0.153 4.587 4.740 0.001 0.000 0.185 432 N C 1.058 176.582 175.510 0.023 0.000 1.016 432 N CA 1.173 54.239 53.050 0.028 0.000 0.863 432 N CB -0.011 38.492 38.487 0.027 0.000 0.983 432 N HN 0.448 nan 8.380 nan 0.000 0.429 433 E N -0.301 119.913 120.200 0.024 0.000 2.511 433 E HA 0.035 4.386 4.350 0.001 0.000 0.196 433 E C 0.971 177.584 176.600 0.021 0.000 1.066 433 E CA 0.160 56.572 56.400 0.021 0.000 0.871 433 E CB 0.301 30.014 29.700 0.022 0.000 0.863 433 E HN 0.481 nan 8.360 nan 0.000 0.520 434 G N 1.818 110.632 108.800 0.023 0.000 2.179 434 G HA2 -0.260 3.700 3.960 0.001 0.000 0.220 434 G HA3 -0.260 3.700 3.960 0.001 0.000 0.220 434 G C 0.212 175.127 174.900 0.024 0.000 0.990 434 G CA -0.385 44.728 45.100 0.022 0.000 0.646 434 G HN 0.133 nan 8.290 nan 0.000 0.517 435 R N 0.692 121.209 120.500 0.029 0.000 2.641 435 R HA 0.406 4.746 4.340 0.001 0.000 0.269 435 R C -0.490 175.830 176.300 0.032 0.000 1.074 435 R CA -0.167 55.952 56.100 0.032 0.000 1.133 435 R CB 0.556 30.879 30.300 0.037 0.000 1.029 435 R HN 0.190 nan 8.270 nan 0.000 0.488 436 D N 2.576 122.995 120.400 0.032 0.000 2.313 436 D HA 0.056 4.697 4.640 0.001 0.000 0.239 436 D C 0.807 177.130 176.300 0.038 0.000 1.142 436 D CA -0.127 53.892 54.000 0.031 0.000 0.847 436 D CB 1.061 41.877 40.800 0.026 0.000 1.082 436 D HN 0.416 nan 8.370 nan 0.000 0.480 437 L N 3.386 124.633 121.223 0.040 0.000 2.109 437 L HA -0.061 4.279 4.340 0.001 0.000 0.207 437 L C 2.467 179.368 176.870 0.053 0.000 1.086 437 L CA 0.938 55.809 54.840 0.051 0.000 0.760 437 L CB -0.272 41.819 42.059 0.053 0.000 0.910 437 L HN 0.475 nan 8.230 nan 0.000 0.437 438 A N 0.374 123.219 122.820 0.042 0.000 1.908 438 A HA -0.202 4.118 4.320 0.001 0.000 0.218 438 A C 2.381 179.990 177.584 0.041 0.000 1.181 438 A CA 1.650 53.710 52.037 0.039 0.000 0.627 438 A CB -0.360 18.656 19.000 0.026 0.000 0.818 438 A HN 0.356 nan 8.150 nan 0.000 0.445 439 R N -1.012 119.511 120.500 0.037 0.000 2.156 439 R HA 0.080 4.421 4.340 0.001 0.000 0.207 439 R C 0.988 177.314 176.300 0.044 0.000 1.040 439 R CA 1.052 57.173 56.100 0.035 0.000 1.013 439 R CB 0.060 30.376 30.300 0.027 0.000 0.931 439 R HN 0.587 nan 8.270 nan 0.000 0.465 440 E N -0.188 120.043 120.200 0.050 0.000 2.501 440 E HA 0.111 4.462 4.350 0.001 0.000 0.201 440 E C 1.394 178.039 176.600 0.076 0.000 1.016 440 E CA -0.067 56.367 56.400 0.058 0.000 0.920 440 E CB 0.958 30.688 29.700 0.051 0.000 1.023 440 E HN 0.335 nan 8.360 nan 0.000 0.474 441 G N 2.284 111.135 108.800 0.086 0.000 2.491 441 G HA2 -0.357 3.603 3.960 0.001 0.000 0.218 441 G HA3 -0.357 3.603 3.960 0.001 0.000 0.218 441 G C 1.325 176.318 174.900 0.155 0.000 1.180 441 G CA 1.219 46.385 45.100 0.111 0.000 0.774 441 G HN 0.240 nan 8.290 nan 0.000 0.562 442 N N -0.304 118.508 118.700 0.186 0.000 2.166 442 N HA -0.070 4.670 4.740 0.001 0.000 0.186 442 N C 2.213 177.866 175.510 0.238 0.000 1.019 442 N CA 1.410 54.641 53.050 0.300 0.000 0.856 442 N CB -0.129 38.481 38.487 0.206 0.000 0.993 442 N HN 0.254 nan 8.380 nan 0.000 0.426 443 T N 0.936 115.574 114.554 0.140 0.000 2.904 443 T HA 0.016 4.366 4.350 0.001 0.000 0.267 443 T C 1.932 176.684 174.700 0.087 0.000 1.059 443 T CA 0.642 62.804 62.100 0.105 0.000 1.137 443 T CB -0.084 68.830 68.868 0.077 0.000 0.879 443 T HN 0.171 nan 8.240 nan 0.000 0.467 444 I N 0.804 121.423 120.570 0.082 0.000 2.202 444 I HA -0.129 4.042 4.170 0.001 0.000 0.242 444 I C 2.189 178.320 176.117 0.024 0.000 1.091 444 I CA 0.887 62.224 61.300 0.062 0.000 1.368 444 I CB -0.313 37.724 38.000 0.063 0.000 1.058 444 I HN 0.155 nan 8.210 nan 0.000 0.410 445 I N 0.597 121.166 120.570 -0.003 0.000 2.163 445 I HA -0.290 3.880 4.170 0.001 0.000 0.243 445 I C 2.684 178.699 176.117 -0.170 0.000 1.085 445 I CA 1.551 62.760 61.300 -0.151 0.000 1.347 445 I CB -1.282 36.541 38.000 -0.294 0.000 1.044 445 I HN 0.237 nan 8.210 nan 0.000 0.408 446 R N 1.351 121.835 120.500 -0.026 0.000 2.083 446 R HA -0.192 4.148 4.340 0.001 0.000 0.237 446 R C 2.167 178.454 176.300 -0.022 0.000 1.137 446 R CA 1.647 57.757 56.100 0.016 0.000 0.951 446 R CB -0.336 30.040 30.300 0.126 0.000 0.851 446 R HN 0.408 nan 8.270 nan 0.000 0.434 447 E N -0.719 119.489 120.200 0.013 0.000 2.085 447 E HA -0.199 4.152 4.350 0.001 0.000 0.194 447 E C 1.850 178.449 176.600 -0.001 0.000 0.994 447 E CA 1.361 57.790 56.400 0.048 0.000 0.801 447 E CB -0.193 29.568 29.700 0.101 0.000 0.743 447 E HN 0.509 nan 8.360 nan 0.000 0.453 448 A N 0.990 123.741 122.820 -0.114 0.000 2.014 448 A HA -0.144 4.177 4.320 0.001 0.000 0.218 448 A C 2.361 179.448 177.584 -0.828 0.000 1.163 448 A CA 1.712 53.476 52.037 -0.455 0.000 0.652 448 A CB -0.855 17.953 19.000 -0.320 0.000 0.808 448 A HN 0.397 nan 8.150 nan 0.000 0.449 449 T N -2.258 112.022 114.554 -0.457 0.000 3.007 449 T HA -0.075 4.275 4.350 0.001 0.000 0.270 449 T C 1.531 176.059 174.700 -0.287 0.000 1.107 449 T CA 1.269 63.142 62.100 -0.379 0.000 1.118 449 T CB -0.208 68.518 68.868 -0.237 0.000 0.889 449 T HN 0.329 nan 8.240 nan 0.000 0.506 450 K N 0.814 121.085 120.400 -0.215 0.000 2.288 450 K HA 0.041 4.361 4.320 0.001 0.000 0.201 450 K C 1.853 178.471 176.600 0.030 0.000 1.048 450 K CA 0.934 57.194 56.287 -0.046 0.000 0.956 450 K CB -0.221 32.317 32.500 0.063 0.000 0.746 450 K HN 0.859 nan 8.250 nan 0.000 0.461 451 W N -0.630 120.670 121.300 0.001 0.000 2.725 451 W HA 0.360 5.020 4.660 0.001 0.000 0.336 451 W C -0.006 176.518 176.519 0.008 0.000 1.012 451 W CA -0.456 56.892 57.345 0.006 0.000 1.566 451 W CB 0.036 29.498 29.460 0.002 0.000 1.068 451 W HN -0.164 nan 8.180 nan 0.000 0.546 452 S N 2.997 118.390 115.700 -0.512 0.000 2.577 452 S HA 0.388 4.859 4.470 0.001 0.000 0.294 452 S C -1.488 172.973 174.600 -0.232 0.000 1.161 452 S CA -1.296 56.663 58.200 -0.401 0.000 1.143 452 S CB 1.156 63.874 63.200 -0.803 0.000 0.991 452 S HN -0.298 nan 8.310 nan 0.000 0.475 453 P HA -0.117 nan 4.420 nan 0.000 0.216 453 P C 0.928 178.175 177.300 -0.089 0.000 1.150 453 P CA 1.190 64.324 63.100 0.056 0.000 0.843 453 P CB 0.216 32.083 31.700 0.278 0.000 0.787 454 E N -0.712 119.440 120.200 -0.081 0.000 2.077 454 E HA -0.152 4.198 4.350 0.001 0.000 0.193 454 E C 1.884 178.328 176.600 -0.259 0.000 0.989 454 E CA 0.793 57.049 56.400 -0.240 0.000 0.800 454 E CB -1.292 28.341 29.700 -0.112 0.000 0.746 454 E HN 0.139 nan 8.360 nan 0.000 0.452 455 L N 0.449 121.511 121.223 -0.268 0.000 2.056 455 L HA -0.012 4.328 4.340 0.001 0.000 0.207 455 L C 2.054 178.734 176.870 -0.316 0.000 1.078 455 L CA 1.905 56.567 54.840 -0.297 0.000 0.749 455 L CB -0.894 40.937 42.059 -0.381 0.000 0.901 455 L HN 0.112 nan 8.230 nan 0.000 0.433 456 A N -0.222 122.416 122.820 -0.302 0.000 1.892 456 A HA -0.242 4.079 4.320 0.001 0.000 0.218 456 A C 2.455 179.866 177.584 -0.289 0.000 1.188 456 A CA 2.306 54.194 52.037 -0.249 0.000 0.631 456 A CB -1.282 17.614 19.000 -0.172 0.000 0.822 456 A HN 0.600 nan 8.150 nan 0.000 0.447 457 A N -0.576 121.978 122.820 -0.444 0.000 1.930 457 A HA 0.241 4.561 4.320 0.001 0.000 0.217 457 A C 2.490 179.687 177.584 -0.644 0.000 1.175 457 A CA 1.911 53.573 52.037 -0.625 0.000 0.627 457 A CB -0.929 17.341 19.000 -1.217 0.000 0.815 457 A HN 1.090 nan 8.150 nan 0.000 0.443 458 A N -1.011 121.494 122.820 -0.524 0.000 1.930 458 A HA -0.146 4.175 4.320 0.001 0.000 0.217 458 A C 2.280 179.748 177.584 -0.193 0.000 1.175 458 A CA 1.611 53.430 52.037 -0.365 0.000 0.627 458 A CB -1.211 17.809 19.000 0.033 0.000 0.815 458 A HN 0.577 nan 8.150 nan 0.000 0.443 459 C N -0.495 118.681 119.300 -0.206 0.000 2.429 459 C HA -0.092 4.368 4.460 0.001 0.000 0.277 459 C C 2.650 177.750 174.990 0.185 0.000 1.262 459 C CA 1.154 60.134 59.018 -0.062 0.000 1.733 459 C CB -1.274 26.320 27.740 -0.244 0.000 2.010 459 C HN 0.686 nan 8.230 nan 0.000 0.483 460 E N 0.293 120.473 120.200 -0.034 0.000 2.085 460 E HA -0.197 4.153 4.350 0.001 0.000 0.194 460 E C 2.122 178.631 176.600 -0.151 0.000 0.994 460 E CA 1.445 57.806 56.400 -0.066 0.000 0.801 460 E CB -0.225 29.394 29.700 -0.135 0.000 0.743 460 E HN 0.490 nan 8.360 nan 0.000 0.453 461 V N 0.200 119.900 119.914 -0.357 0.000 2.358 461 V HA -0.189 3.932 4.120 0.001 0.000 0.246 461 V C 1.386 177.202 176.094 -0.464 0.000 1.047 461 V CA 1.279 63.232 62.300 -0.579 0.000 1.035 461 V CB -0.271 30.889 31.823 -1.105 0.000 0.658 461 V HN 0.442 nan 8.190 nan 0.000 0.452 462 W N 0.722 121.966 121.300 -0.093 0.000 2.991 462 W HA 0.245 4.905 4.660 0.001 0.000 0.391 462 W C 1.931 178.382 176.519 -0.113 0.000 1.054 462 W CA -0.284 56.932 57.345 -0.215 0.000 1.856 462 W CB -0.247 28.884 29.460 -0.549 0.000 1.132 462 W HN 0.431 nan 8.180 nan 0.000 0.601 463 K N 0.508 121.011 120.400 0.173 0.000 2.218 463 K HA -0.190 4.131 4.320 0.001 0.000 0.205 463 K C 0.748 177.206 176.600 -0.237 0.000 1.046 463 K CA 1.417 57.632 56.287 -0.119 0.000 0.933 463 K CB -0.110 32.326 32.500 -0.108 0.000 0.728 463 K HN -0.048 nan 8.250 nan 0.000 0.454 464 E N 0.730 120.860 120.200 -0.116 0.000 2.474 464 E HA 0.119 4.470 4.350 0.001 0.000 0.195 464 E C 0.178 176.726 176.600 -0.087 0.000 1.039 464 E CA 0.018 56.345 56.400 -0.122 0.000 0.881 464 E CB 0.306 29.949 29.700 -0.095 0.000 0.970 464 E HN 0.295 nan 8.360 nan 0.000 0.486 465 I N 1.766 122.318 120.570 -0.030 0.000 2.325 465 I HA 0.242 4.413 4.170 0.001 0.000 0.291 465 I C 0.332 176.468 176.117 0.031 0.000 1.019 465 I CA -0.136 61.153 61.300 -0.018 0.000 1.302 465 I CB 0.478 38.507 38.000 0.048 0.000 1.401 465 I HN -0.273 nan 8.210 nan 0.000 0.485 466 K N 5.526 125.805 120.400 -0.201 0.000 2.508 466 K HA 0.573 4.893 4.320 0.001 0.000 0.260 466 K C -1.586 174.782 176.600 -0.387 0.000 0.949 466 K CA -0.581 55.639 56.287 -0.111 0.000 0.834 466 K CB 2.673 35.143 32.500 -0.050 0.000 1.365 466 K HN 0.177 nan 8.250 nan 0.000 0.437 467 F N 1.644 121.698 119.950 0.172 0.000 2.430 467 F HA 0.320 4.847 4.527 0.000 0.000 0.362 467 F C -0.349 175.530 175.800 0.132 0.000 1.103 467 F CA -0.538 57.573 58.000 0.186 0.000 1.045 467 F CB 1.531 40.663 39.000 0.220 0.000 1.276 467 F HN 0.285 nan 8.300 nan 0.000 0.444 468 E N 3.844 124.076 120.200 0.053 0.000 2.279 468 E HA 0.540 4.890 4.350 0.001 0.000 0.252 468 E C -1.348 175.087 176.600 -0.276 0.000 0.894 468 E CA -0.438 55.943 56.400 -0.032 0.000 0.785 468 E CB 1.702 31.359 29.700 -0.071 0.000 1.237 468 E HN 0.341 nan 8.360 nan 0.000 0.418 469 F N 1.436 121.433 119.950 0.078 0.000 2.626 469 F HA 0.448 4.975 4.527 -0.000 0.000 0.311 469 F C -1.960 173.870 175.800 0.049 0.000 1.088 469 F CA -2.081 55.956 58.000 0.062 0.000 0.949 469 F CB 0.985 40.027 39.000 0.070 0.000 1.322 469 F HN 0.251 nan 8.300 nan 0.000 0.461 470 P HA 0.381 nan 4.420 nan 0.000 0.271 470 P C -0.973 176.410 177.300 0.138 0.000 1.220 470 P CA -0.312 62.877 63.100 0.148 0.000 0.768 470 P CB 0.593 32.363 31.700 0.117 0.000 0.848 471 A N 3.317 126.201 122.820 0.106 0.000 2.340 471 A HA 0.360 4.680 4.320 0.001 0.000 0.268 471 A C 1.148 178.776 177.584 0.074 0.000 1.100 471 A CA -0.395 51.696 52.037 0.090 0.000 0.803 471 A CB 0.248 19.301 19.000 0.087 0.000 1.043 471 A HN 0.489 nan 8.150 nan 0.000 0.488 472 M N 0.312 119.950 119.600 0.063 0.000 2.501 472 M HA 0.092 4.572 4.480 0.001 0.000 0.261 472 M C -0.015 176.329 176.300 0.073 0.000 1.129 472 M CA 0.783 56.117 55.300 0.056 0.000 1.126 472 M CB -0.940 31.681 32.600 0.035 0.000 1.359 472 M HN 0.769 nan 8.290 nan 0.000 0.471 473 D N 2.143 122.598 120.400 0.091 0.000 2.462 473 D HA 0.267 4.907 4.640 0.001 0.000 0.249 473 D C -0.649 175.738 176.300 0.145 0.000 1.117 473 D CA 0.018 54.096 54.000 0.131 0.000 0.900 473 D CB 0.876 41.765 40.800 0.149 0.000 1.039 473 D HN 0.139 nan 8.370 nan 0.000 0.516 474 T N -0.738 113.890 114.554 0.123 0.000 2.932 474 T HA 0.573 4.924 4.350 0.001 0.000 0.289 474 T C 0.602 175.363 174.700 0.102 0.000 1.039 474 T CA -0.828 61.334 62.100 0.103 0.000 1.024 474 T CB 1.177 70.089 68.868 0.073 0.000 1.090 474 T HN 0.018 nan 8.240 nan 0.000 0.496 475 V N 0.000 119.961 119.914 0.078 0.000 2.409 475 V HA 0.000 4.120 4.120 0.001 0.000 0.244 475 V CA 0.000 62.335 62.300 0.059 0.000 1.235 475 V CB 0.000 31.836 31.823 0.022 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556