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 2c9f_1_C DATA FIRST_RESID 52 DATA SEQUENCE RNSIRYSELA PLFDTTRVYL VDNKSTDVAS LNYQNDHSNF LTTVIQNNDY DATA SEQUENCE SPGEASTQTI NLDDRSHWGG DLKTILHTNM PNVNEFMFTN KFKARVMVSR DATA SEQUENCE SLTKDKQVEL KYEWVEFTLP EGNYSETMTI DLMNNAIVEH YLKVGRQNGV DATA SEQUENCE LESDIGVKFD TRNFRLGFDP VTGLVMPGVY TNEAFHPDII LLPGCGVDFT DATA SEQUENCE HSRLSNLLGI RKRQPFQEGF RITYDDLEGG NIPALLDVDA YQASLXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XKKPVIKPLT EDSKKRSYNL ISNDSTFTQY DATA SEQUENCE RSWYLAYNYG DPQTGIRSWT LLCTPDVTCG SEQVYWSLPD MMQDPVTFRS DATA SEQUENCE TSQISNFPVV GAELLPVHSK SFYNDQAVYS QLIRQFTSLT HVFNRFPENQ DATA SEQUENCE ILARPPAPTI TTVSENVPAL TDHGTLPLRN SIGGVQRVTI TDARRRTCPY DATA SEQUENCE VYKALGIVSP RVLSSR 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 52 R HA 0.000 nan 4.340 nan 0.000 0.208 52 R C 0.000 176.246 176.300 -0.090 0.000 0.893 52 R CA 0.000 56.036 56.100 -0.107 0.000 0.921 52 R CB 0.000 30.217 30.300 -0.138 0.000 0.687 53 N N 1.003 119.661 118.700 -0.071 0.000 2.550 53 N HA 0.023 4.762 4.740 -0.001 0.000 0.277 53 N C -0.814 174.854 175.510 0.263 0.000 1.595 53 N CA 0.125 53.207 53.050 0.053 0.000 0.888 53 N CB 0.696 39.131 38.487 -0.085 0.000 1.424 53 N HN 0.200 nan 8.380 nan 0.000 0.501 54 S N 0.623 116.460 115.700 0.227 0.000 2.625 54 S HA 0.651 5.121 4.470 -0.001 0.000 0.258 54 S C 0.377 175.171 174.600 0.324 0.000 1.256 54 S CA -0.314 58.088 58.200 0.337 0.000 0.983 54 S CB 0.862 64.213 63.200 0.251 0.000 1.032 54 S HN 0.310 nan 8.310 nan 0.000 0.572 55 I N 0.587 121.290 120.570 0.222 0.000 2.606 55 I HA 0.273 4.442 4.170 -0.001 0.000 0.275 55 I C -0.695 175.449 176.117 0.044 0.000 1.220 55 I CA -0.264 61.039 61.300 0.004 0.000 1.098 55 I CB 1.432 39.403 38.000 -0.049 0.000 1.321 55 I HN 0.541 nan 8.210 nan 0.000 0.468 56 R N 3.837 124.356 120.500 0.033 0.000 2.598 56 R HA 0.666 5.005 4.340 -0.001 0.000 0.279 56 R C -1.488 174.872 176.300 0.099 0.000 0.984 56 R CA -0.728 55.409 56.100 0.062 0.000 0.999 56 R CB 2.320 32.650 30.300 0.051 0.000 1.114 56 R HN 0.391 nan 8.270 nan 0.000 0.493 57 Y N 1.074 121.347 120.300 -0.046 0.000 2.470 57 Y HA 0.188 4.737 4.550 -0.001 0.000 0.341 57 Y C 0.779 176.650 175.900 -0.049 0.000 1.021 57 Y CA -0.327 57.737 58.100 -0.060 0.000 1.025 57 Y CB 1.578 40.000 38.460 -0.063 0.000 1.266 57 Y HN 0.837 nan 8.280 nan 0.000 0.448 58 S N 3.163 118.335 115.700 -0.880 0.000 4.116 58 S HA -0.379 4.090 4.470 -0.001 0.000 0.538 58 S C 0.416 174.791 174.600 -0.375 0.000 0.935 58 S CA 2.275 60.037 58.200 -0.730 0.000 3.405 58 S CB -1.124 61.422 63.200 -1.089 0.000 2.341 58 S HN 0.892 nan 8.310 nan 0.000 0.475 59 E N 1.014 121.025 120.200 -0.315 0.000 2.795 59 E HA 0.614 4.964 4.350 -0.001 0.000 0.226 59 E C -1.143 175.435 176.600 -0.037 0.000 1.088 59 E CA -0.246 56.084 56.400 -0.118 0.000 0.812 59 E CB 0.131 29.791 29.700 -0.067 0.000 1.328 59 E HN 0.465 nan 8.360 nan 0.000 0.410 60 L N 1.106 122.331 121.223 0.005 0.000 2.479 60 L HA 0.637 4.977 4.340 -0.001 0.000 0.255 60 L C -0.182 176.710 176.870 0.037 0.000 1.026 60 L CA -1.222 53.658 54.840 0.066 0.000 0.842 60 L CB 1.871 44.036 42.059 0.177 0.000 1.444 60 L HN 0.401 nan 8.230 nan 0.000 0.409 61 A N 1.775 124.604 122.820 0.015 0.000 2.561 61 A HA 0.378 4.697 4.320 -0.001 0.000 0.234 61 A C -2.382 175.177 177.584 -0.043 0.000 1.055 61 A CA -0.377 51.647 52.037 -0.022 0.000 0.756 61 A CB -0.794 18.175 19.000 -0.052 0.000 0.986 61 A HN 0.368 nan 8.150 nan 0.000 0.505 62 P HA 0.396 nan 4.420 nan 0.000 0.275 62 P C -0.765 176.351 177.300 -0.306 0.000 1.228 62 P CA -0.018 63.056 63.100 -0.044 0.000 0.786 62 P CB 0.586 32.368 31.700 0.135 0.000 0.927 63 L N 2.674 123.783 121.223 -0.190 0.000 2.330 63 L HA 0.572 4.912 4.340 -0.001 0.000 0.271 63 L C -0.231 176.641 176.870 0.003 0.000 1.013 63 L CA -0.684 53.992 54.840 -0.273 0.000 0.816 63 L CB 1.037 43.041 42.059 -0.092 0.000 1.287 63 L HN 0.323 nan 8.230 nan 0.000 0.435 64 F N -0.094 119.894 119.950 0.063 0.000 2.563 64 F HA 0.357 4.883 4.527 -0.001 0.000 0.316 64 F C 0.389 176.257 175.800 0.113 0.000 1.076 64 F CA -0.849 57.210 58.000 0.098 0.000 0.921 64 F CB 1.950 40.994 39.000 0.073 0.000 1.209 64 F HN 0.568 nan 8.300 nan 0.000 0.462 65 D N -0.353 120.283 120.400 0.393 0.000 2.332 65 D HA -0.219 4.421 4.640 -0.001 0.000 0.166 65 D C 0.255 176.721 176.300 0.277 0.000 1.574 65 D CA 2.072 56.231 54.000 0.265 0.000 1.598 65 D CB -0.680 40.221 40.800 0.169 0.000 1.354 65 D HN 0.669 nan 8.370 nan 0.000 0.481 66 T N -2.448 112.245 114.554 0.232 0.000 2.737 66 T HA 0.454 4.803 4.350 -0.001 0.000 0.312 66 T C -1.297 173.441 174.700 0.064 0.000 1.857 66 T CA 0.670 62.868 62.100 0.165 0.000 0.999 66 T CB 1.533 70.471 68.868 0.117 0.000 1.854 66 T HN 0.353 nan 8.240 nan 0.000 0.513 67 T N 0.541 115.097 114.554 0.004 0.000 2.686 67 T HA 0.544 4.893 4.350 -0.001 0.000 0.289 67 T C -2.040 172.587 174.700 -0.122 0.000 1.783 67 T CA -0.558 61.511 62.100 -0.053 0.000 0.966 67 T CB 0.672 69.499 68.868 -0.067 0.000 2.034 67 T HN 0.779 nan 8.240 nan 0.000 0.436 68 R N 0.982 121.362 120.500 -0.201 0.000 2.564 68 R HA 0.623 4.962 4.340 -0.001 0.000 0.284 68 R C -1.096 174.904 176.300 -0.500 0.000 1.031 68 R CA -0.807 55.058 56.100 -0.392 0.000 0.904 68 R CB 2.122 32.088 30.300 -0.556 0.000 1.199 68 R HN 0.645 nan 8.270 nan 0.000 0.443 69 V N -0.036 119.605 119.914 -0.455 0.000 2.483 69 V HA 0.617 4.737 4.120 -0.001 0.000 0.295 69 V C -1.031 174.844 176.094 -0.365 0.000 1.035 69 V CA -0.821 61.289 62.300 -0.316 0.000 0.896 69 V CB 1.167 32.873 31.823 -0.196 0.000 0.986 69 V HN 0.591 nan 8.190 nan 0.000 0.447 70 Y N 3.992 124.255 120.300 -0.062 0.000 2.335 70 Y HA 0.678 5.228 4.550 -0.001 0.000 0.338 70 Y C -0.002 175.883 175.900 -0.025 0.000 0.977 70 Y CA -0.829 57.247 58.100 -0.041 0.000 1.114 70 Y CB 1.915 40.355 38.460 -0.032 0.000 1.182 70 Y HN 0.559 nan 8.280 nan 0.000 0.463 71 L N 5.185 126.491 121.223 0.138 0.000 2.262 71 L HA 0.662 5.001 4.340 -0.001 0.000 0.288 71 L C -0.687 176.287 176.870 0.174 0.000 1.035 71 L CA -0.781 54.124 54.840 0.109 0.000 0.820 71 L CB 1.053 43.141 42.059 0.048 0.000 1.204 71 L HN 0.449 nan 8.230 nan 0.000 0.424 72 V N 3.044 123.072 119.914 0.190 0.000 2.851 72 V HA 0.279 4.398 4.120 -0.001 0.000 0.307 72 V C -0.115 176.077 176.094 0.163 0.000 1.129 72 V CA -0.548 61.846 62.300 0.155 0.000 0.932 72 V CB 2.168 34.021 31.823 0.051 0.000 1.024 72 V HN 0.804 nan 8.190 nan 0.000 0.426 73 D N 3.680 124.067 120.400 -0.022 0.000 2.103 73 D HA -0.142 4.498 4.640 -0.001 0.000 0.199 73 D C 1.304 177.497 176.300 -0.178 0.000 0.978 73 D CA 1.831 55.653 54.000 -0.296 0.000 0.829 73 D CB -0.510 39.675 40.800 -1.026 0.000 0.981 73 D HN 0.743 nan 8.370 nan 0.000 0.464 74 N N 0.867 119.457 118.700 -0.185 0.000 2.089 74 N HA -0.180 4.559 4.740 -0.001 0.000 0.198 74 N C 0.021 175.507 175.510 -0.040 0.000 1.017 74 N CA 1.102 54.089 53.050 -0.105 0.000 0.880 74 N CB -0.392 38.037 38.487 -0.096 0.000 1.042 74 N HN 0.181 nan 8.380 nan 0.000 0.446 75 K N 1.292 121.678 120.400 -0.022 0.000 2.490 75 K HA -0.149 4.171 4.320 -0.001 0.000 0.264 75 K C 0.766 177.373 176.600 0.012 0.000 1.027 75 K CA -0.067 56.220 56.287 -0.000 0.000 1.139 75 K CB 0.214 32.726 32.500 0.020 0.000 0.792 75 K HN 0.212 nan 8.250 nan 0.000 0.479 76 S N 1.979 117.686 115.700 0.011 0.000 2.368 76 S HA -0.182 4.288 4.470 -0.001 0.000 0.225 76 S C 2.181 176.799 174.600 0.030 0.000 1.030 76 S CA 1.922 60.133 58.200 0.020 0.000 0.999 76 S CB -0.290 62.919 63.200 0.015 0.000 0.844 76 S HN 0.878 nan 8.310 nan 0.000 0.459 77 T N 2.385 116.957 114.554 0.030 0.000 2.643 77 T HA -0.214 4.136 4.350 -0.001 0.000 0.264 77 T C 1.664 176.391 174.700 0.045 0.000 1.045 77 T CA 1.627 63.749 62.100 0.035 0.000 1.155 77 T CB -0.982 67.908 68.868 0.037 0.000 0.863 77 T HN 0.535 nan 8.240 nan 0.000 0.420 78 D N 1.720 122.151 120.400 0.053 0.000 2.144 78 D HA -0.098 4.541 4.640 -0.001 0.000 0.199 78 D C 2.199 178.548 176.300 0.083 0.000 0.984 78 D CA 0.960 55.001 54.000 0.068 0.000 0.834 78 D CB -1.067 39.780 40.800 0.079 0.000 0.955 78 D HN 0.419 nan 8.370 nan 0.000 0.465 79 V N 1.548 121.508 119.914 0.077 0.000 2.287 79 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 79 V C 2.886 179.050 176.094 0.116 0.000 1.053 79 V CA 2.090 64.445 62.300 0.092 0.000 1.027 79 V CB -1.131 30.733 31.823 0.068 0.000 0.646 79 V HN 0.435 nan 8.190 nan 0.000 0.447 80 A N 0.684 123.556 122.820 0.086 0.000 1.842 80 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 80 A C 2.442 180.058 177.584 0.053 0.000 1.206 80 A CA 3.173 55.255 52.037 0.076 0.000 0.630 80 A CB -1.057 17.969 19.000 0.043 0.000 0.839 80 A HN 0.681 nan 8.150 nan 0.000 0.447 81 S N 0.251 115.972 115.700 0.036 0.000 2.365 81 S HA 0.024 4.493 4.470 -0.001 0.000 0.194 81 S C 1.730 176.354 174.600 0.041 0.000 1.093 81 S CA 0.919 59.126 58.200 0.012 0.000 1.224 81 S CB -1.358 61.852 63.200 0.017 0.000 0.961 81 S HN 0.428 nan 8.310 nan 0.000 0.412 82 L N 2.322 123.582 121.223 0.062 0.000 2.158 82 L HA -0.225 4.114 4.340 -0.001 0.000 0.249 82 L C 1.069 178.016 176.870 0.128 0.000 1.097 82 L CA 1.589 56.480 54.840 0.086 0.000 0.844 82 L CB -1.614 40.501 42.059 0.093 0.000 0.940 82 L HN 0.498 nan 8.230 nan 0.000 0.436 83 N N -0.920 117.876 118.700 0.158 0.000 2.381 83 N HA -0.003 4.736 4.740 -0.001 0.000 0.241 83 N C 0.044 175.703 175.510 0.248 0.000 1.279 83 N CA 0.459 53.621 53.050 0.187 0.000 0.896 83 N CB 1.331 39.933 38.487 0.191 0.000 1.118 83 N HN 0.496 nan 8.380 nan 0.000 0.438 84 Y N -0.415 119.912 120.300 0.045 0.000 2.980 84 Y HA -0.022 4.528 4.550 -0.001 0.000 0.142 84 Y C 0.599 176.506 175.900 0.013 0.000 0.999 84 Y CA 0.085 58.199 58.100 0.024 0.000 1.833 84 Y CB -0.091 38.382 38.460 0.021 0.000 1.290 84 Y HN 0.466 nan 8.280 nan 0.000 0.258 85 Q N 1.998 121.873 119.800 0.124 0.000 2.373 85 Q HA 0.168 4.507 4.340 -0.001 0.000 0.206 85 Q C -0.303 175.699 176.000 0.003 0.000 0.942 85 Q CA 0.167 55.976 55.803 0.010 0.000 0.953 85 Q CB 0.042 28.839 28.738 0.098 0.000 1.022 85 Q HN 0.307 nan 8.270 nan 0.000 0.502 86 N N 1.299 120.018 118.700 0.032 0.000 2.604 86 N HA 0.285 5.024 4.740 -0.001 0.000 0.297 86 N C -0.633 174.877 175.510 0.000 0.000 1.266 86 N CA -0.183 52.897 53.050 0.050 0.000 0.961 86 N CB 1.095 39.663 38.487 0.136 0.000 1.166 86 N HN 0.067 nan 8.380 nan 0.000 0.601 87 D N -3.282 117.136 120.400 0.031 0.000 2.626 87 D HA 0.148 4.787 4.640 -0.001 0.000 0.278 87 D C -0.982 175.362 176.300 0.073 0.000 1.211 87 D CA -0.571 53.398 54.000 -0.051 0.000 0.903 87 D CB 0.201 40.922 40.800 -0.132 0.000 1.408 87 D HN 0.414 nan 8.370 nan 0.000 0.454 88 H N -0.164 118.827 119.070 -0.132 0.000 4.757 88 H HA 0.299 4.854 4.556 -0.001 0.000 0.167 88 H C -0.032 175.298 175.328 0.003 0.000 1.205 88 H CA 0.130 56.063 56.048 -0.191 0.000 1.354 88 H CB 0.009 29.631 29.762 -0.232 0.000 1.570 88 H HN 0.333 nan 8.280 nan 0.000 0.884 89 S N 1.174 117.037 115.700 0.272 0.000 2.551 89 S HA -0.047 4.422 4.470 -0.001 0.000 0.236 89 S C -0.604 174.104 174.600 0.180 0.000 0.915 89 S CA -0.483 57.813 58.200 0.160 0.000 1.525 89 S CB 0.196 63.410 63.200 0.023 0.000 1.256 89 S HN 0.548 nan 8.310 nan 0.000 0.641 90 N N 1.114 119.999 118.700 0.309 0.000 3.151 90 N HA 0.352 5.092 4.740 -0.001 0.000 0.219 90 N C -1.046 174.648 175.510 0.308 0.000 1.434 90 N CA -0.283 52.890 53.050 0.205 0.000 0.767 90 N CB 0.132 38.695 38.487 0.127 0.000 1.564 90 N HN 0.387 nan 8.380 nan 0.000 0.612 91 F N 0.308 120.292 119.950 0.056 0.000 2.664 91 F HA 0.746 5.272 4.527 -0.001 0.000 0.317 91 F C -1.345 174.481 175.800 0.044 0.000 1.108 91 F CA -1.119 56.915 58.000 0.057 0.000 0.957 91 F CB 1.316 40.356 39.000 0.067 0.000 1.365 91 F HN -0.053 nan 8.300 nan 0.000 0.475 92 L N 0.915 122.255 121.223 0.194 0.000 2.332 92 L HA 0.837 5.177 4.340 -0.001 0.000 0.269 92 L C -0.380 176.590 176.870 0.167 0.000 1.016 92 L CA -0.863 54.009 54.840 0.053 0.000 0.809 92 L CB 2.084 44.184 42.059 0.069 0.000 1.280 92 L HN 0.937 nan 8.230 nan 0.000 0.447 93 T N -0.438 114.159 114.554 0.072 0.000 2.957 93 T HA 0.353 4.702 4.350 -0.001 0.000 0.336 93 T C -0.896 173.834 174.700 0.049 0.000 1.462 93 T CA -0.510 61.661 62.100 0.118 0.000 1.073 93 T CB 1.557 70.537 68.868 0.185 0.000 1.319 93 T HN 0.761 nan 8.240 nan 0.000 0.485 94 T N 1.280 115.865 114.554 0.051 0.000 2.845 94 T HA 0.522 4.871 4.350 -0.001 0.000 0.288 94 T C 1.184 175.894 174.700 0.016 0.000 0.980 94 T CA -0.589 61.525 62.100 0.024 0.000 1.071 94 T CB 1.230 70.115 68.868 0.029 0.000 0.941 94 T HN 0.369 nan 8.240 nan 0.000 0.487 95 V N 3.215 123.122 119.914 -0.012 0.000 3.506 95 V HA 0.008 4.127 4.120 -0.001 0.000 0.263 95 V C 2.335 178.398 176.094 -0.051 0.000 1.203 95 V CA 0.033 62.319 62.300 -0.022 0.000 1.133 95 V CB -0.820 30.972 31.823 -0.053 0.000 0.802 95 V HN 0.804 nan 8.190 nan 0.000 0.459 96 I N 0.166 120.698 120.570 -0.062 0.000 2.113 96 I HA -0.279 3.890 4.170 -0.001 0.000 0.242 96 I C 1.795 177.846 176.117 -0.110 0.000 1.064 96 I CA 1.445 62.677 61.300 -0.113 0.000 1.320 96 I CB -0.975 36.996 38.000 -0.048 0.000 1.028 96 I HN 0.420 nan 8.210 nan 0.000 0.406 97 Q N -0.142 119.639 119.800 -0.032 0.000 2.452 97 Q HA -0.255 4.084 4.340 -0.001 0.000 0.248 97 Q C 0.251 176.247 176.000 -0.008 0.000 0.874 97 Q CA 0.855 56.648 55.803 -0.018 0.000 1.208 97 Q CB -2.733 25.999 28.738 -0.011 0.000 1.569 97 Q HN 0.817 nan 8.270 nan 0.000 0.579 98 N N 0.615 119.333 118.700 0.028 0.000 2.444 98 N HA 0.144 4.883 4.740 -0.001 0.000 0.262 98 N C 1.185 176.779 175.510 0.140 0.000 0.974 98 N CA -0.111 53.002 53.050 0.105 0.000 0.933 98 N CB 0.541 39.159 38.487 0.219 0.000 1.137 98 N HN 0.100 nan 8.380 nan 0.000 0.498 99 N N 3.648 122.402 118.700 0.090 0.000 2.133 99 N HA -0.194 4.545 4.740 -0.001 0.000 0.193 99 N C -0.326 175.223 175.510 0.065 0.000 1.012 99 N CA 1.511 54.599 53.050 0.063 0.000 0.871 99 N CB -0.023 38.483 38.487 0.033 0.000 1.011 99 N HN 0.673 nan 8.380 nan 0.000 0.435 100 D N -0.590 119.853 120.400 0.071 0.000 2.398 100 D HA 0.074 4.713 4.640 -0.001 0.000 0.264 100 D C -0.081 176.262 176.300 0.073 0.000 1.263 100 D CA 0.054 54.017 54.000 -0.062 0.000 1.037 100 D CB -0.009 40.598 40.800 -0.322 0.000 1.101 100 D HN 0.212 nan 8.370 nan 0.000 0.551 101 Y N -1.066 119.252 120.300 0.030 0.000 2.611 101 Y HA -0.230 4.319 4.550 -0.001 0.000 0.032 101 Y C 0.491 176.407 175.900 0.027 0.000 1.807 101 Y CA -0.379 57.740 58.100 0.032 0.000 1.343 101 Y CB -1.324 37.167 38.460 0.052 0.000 1.994 101 Y HN 0.169 nan 8.280 nan 0.000 0.270 102 S N 4.987 120.786 115.700 0.165 0.000 2.533 102 S HA 0.371 4.840 4.470 -0.001 0.000 0.282 102 S C -2.099 172.563 174.600 0.104 0.000 1.304 102 S CA -1.224 57.036 58.200 0.100 0.000 1.063 102 S CB 1.189 64.430 63.200 0.068 0.000 0.881 102 S HN 0.458 nan 8.310 nan 0.000 0.493 103 P HA 0.156 nan 4.420 nan 0.000 0.269 103 P C 1.256 178.589 177.300 0.054 0.000 1.211 103 P CA 1.127 64.265 63.100 0.064 0.000 0.781 103 P CB 0.064 31.796 31.700 0.053 0.000 0.877 104 G N 1.776 110.601 108.800 0.043 0.000 3.909 104 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.218 104 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.218 104 G C 1.214 176.136 174.900 0.036 0.000 1.404 104 G CA 0.548 45.669 45.100 0.034 0.000 0.905 104 G HN 0.611 nan 8.290 nan 0.000 0.589 105 E N 1.771 122.005 120.200 0.056 0.000 2.265 105 E HA 0.201 4.550 4.350 -0.001 0.000 0.196 105 E C 2.639 179.267 176.600 0.046 0.000 0.996 105 E CA 1.729 58.170 56.400 0.068 0.000 0.832 105 E CB -0.345 29.427 29.700 0.121 0.000 0.756 105 E HN 0.896 nan 8.360 nan 0.000 0.491 106 A N 0.777 123.625 122.820 0.047 0.000 1.872 106 A HA -0.171 4.148 4.320 -0.001 0.000 0.214 106 A C 2.335 179.912 177.584 -0.013 0.000 1.187 106 A CA 1.555 53.594 52.037 0.003 0.000 0.614 106 A CB -0.989 18.032 19.000 0.035 0.000 0.826 106 A HN 0.383 nan 8.150 nan 0.000 0.442 107 S N -0.416 115.287 115.700 0.005 0.000 2.428 107 S HA -0.230 4.240 4.470 -0.001 0.000 0.240 107 S C 1.871 176.464 174.600 -0.011 0.000 1.036 107 S CA 2.519 60.718 58.200 -0.001 0.000 1.009 107 S CB -0.832 62.372 63.200 0.007 0.000 0.803 107 S HN 0.606 nan 8.310 nan 0.000 0.486 108 T N 1.758 116.302 114.554 -0.015 0.000 2.737 108 T HA -0.006 4.343 4.350 -0.001 0.000 0.265 108 T C 1.031 175.706 174.700 -0.041 0.000 1.038 108 T CA 0.912 62.998 62.100 -0.024 0.000 1.144 108 T CB -0.276 68.578 68.868 -0.022 0.000 0.866 108 T HN 0.613 nan 8.240 nan 0.000 0.434 109 Q N 1.263 121.025 119.800 -0.064 0.000 2.700 109 Q HA 0.311 4.650 4.340 -0.001 0.000 0.232 109 Q C 0.108 176.106 176.000 -0.003 0.000 1.110 109 Q CA 0.273 56.039 55.803 -0.062 0.000 1.026 109 Q CB 0.391 29.089 28.738 -0.067 0.000 1.311 109 Q HN 0.510 nan 8.270 nan 0.000 0.583 110 T N -2.711 111.863 114.554 0.032 0.000 2.942 110 T HA 0.541 4.890 4.350 -0.001 0.000 0.327 110 T C -0.746 174.005 174.700 0.086 0.000 1.360 110 T CA -0.819 61.301 62.100 0.032 0.000 1.055 110 T CB 0.554 69.416 68.868 -0.010 0.000 1.261 110 T HN 0.408 nan 8.240 nan 0.000 0.485 111 I N 3.067 123.651 120.570 0.024 0.000 2.325 111 I HA 0.314 4.483 4.170 -0.001 0.000 0.291 111 I C -0.238 175.838 176.117 -0.068 0.000 1.019 111 I CA -0.863 60.434 61.300 -0.005 0.000 1.302 111 I CB 0.744 38.685 38.000 -0.097 0.000 1.401 111 I HN 0.560 nan 8.210 nan 0.000 0.485 112 N N 8.341 127.002 118.700 -0.065 0.000 2.444 112 N HA 0.419 5.158 4.740 -0.001 0.000 0.262 112 N C -0.760 174.627 175.510 -0.204 0.000 0.974 112 N CA -0.479 52.507 53.050 -0.107 0.000 0.933 112 N CB 2.192 40.650 38.487 -0.049 0.000 1.137 112 N HN 0.421 nan 8.380 nan 0.000 0.498 113 L N 1.120 122.127 121.223 -0.360 0.000 2.276 113 L HA 0.185 4.524 4.340 -0.001 0.000 0.286 113 L C 0.849 177.584 176.870 -0.225 0.000 1.061 113 L CA -0.837 53.555 54.840 -0.747 0.000 0.807 113 L CB 0.580 41.678 42.059 -1.601 0.000 1.177 113 L HN 0.370 nan 8.230 nan 0.000 0.429 114 D N 2.432 122.898 120.400 0.110 0.000 2.973 114 D HA -0.222 4.417 4.640 -0.001 0.000 0.214 114 D C 0.805 177.300 176.300 0.324 0.000 1.079 114 D CA 0.601 54.777 54.000 0.293 0.000 0.797 114 D CB 0.725 41.761 40.800 0.393 0.000 1.168 114 D HN 0.579 nan 8.370 nan 0.000 0.515 115 D N 3.257 123.747 120.400 0.150 0.000 2.149 115 D HA -0.097 4.542 4.640 -0.001 0.000 0.201 115 D C 1.537 177.868 176.300 0.051 0.000 0.972 115 D CA 0.660 54.719 54.000 0.098 0.000 0.835 115 D CB 0.185 41.013 40.800 0.046 0.000 0.966 115 D HN 0.485 nan 8.370 nan 0.000 0.476 116 R N -0.071 120.447 120.500 0.029 0.000 2.377 116 R HA 0.047 4.387 4.340 -0.001 0.000 0.207 116 R C 0.380 176.605 176.300 -0.125 0.000 1.075 116 R CA 0.313 56.385 56.100 -0.047 0.000 1.035 116 R CB 0.086 30.361 30.300 -0.041 0.000 0.857 116 R HN -0.024 nan 8.270 nan 0.000 0.475 117 S N -0.305 115.328 115.700 -0.111 0.000 2.570 117 S HA 0.320 4.789 4.470 -0.001 0.000 0.286 117 S C -0.961 173.487 174.600 -0.253 0.000 1.099 117 S CA -0.929 57.103 58.200 -0.279 0.000 0.913 117 S CB 1.949 64.889 63.200 -0.432 0.000 1.085 117 S HN 0.127 nan 8.310 nan 0.000 0.480 118 H N 0.659 119.661 119.070 -0.113 0.000 2.668 118 H HA 0.254 4.809 4.556 -0.001 0.000 0.303 118 H C -0.920 174.368 175.328 -0.067 0.000 1.074 118 H CA -0.251 55.796 56.048 -0.001 0.000 1.406 118 H CB 0.324 30.082 29.762 -0.007 0.000 1.442 118 H HN 0.527 nan 8.280 nan 0.000 0.482 119 W N 1.591 122.952 121.300 0.102 0.000 2.390 119 W HA 0.544 5.204 4.660 -0.001 0.000 0.362 119 W C 0.655 177.193 176.519 0.033 0.000 1.206 119 W CA -0.390 56.983 57.345 0.047 0.000 1.355 119 W CB 1.190 30.662 29.460 0.021 0.000 1.278 119 W HN 0.663 nan 8.180 nan 0.000 0.653 120 G N -0.786 108.192 108.800 0.297 0.000 2.692 120 G HA2 0.630 4.590 3.960 -0.001 0.000 0.291 120 G HA3 0.630 4.590 3.960 -0.001 0.000 0.291 120 G C -1.549 173.434 174.900 0.138 0.000 1.423 120 G CA -0.642 44.550 45.100 0.153 0.000 0.843 120 G HN 0.723 nan 8.290 nan 0.000 0.486 121 G N -0.225 108.613 108.800 0.063 0.000 2.682 121 G HA2 0.564 4.523 3.960 -0.001 0.000 0.300 121 G HA3 0.564 4.523 3.960 -0.001 0.000 0.300 121 G C -1.326 173.571 174.900 -0.004 0.000 1.391 121 G CA -0.645 44.472 45.100 0.029 0.000 0.990 121 G HN 0.432 nan 8.290 nan 0.000 0.501 122 D N 0.512 120.905 120.400 -0.013 0.000 2.350 122 D HA 0.253 4.892 4.640 -0.001 0.000 0.249 122 D C -0.538 175.733 176.300 -0.048 0.000 1.119 122 D CA 0.103 54.089 54.000 -0.024 0.000 0.886 122 D CB 2.730 43.516 40.800 -0.023 0.000 1.195 122 D HN 0.187 nan 8.370 nan 0.000 0.437 123 L N 2.817 124.013 121.223 -0.045 0.000 2.388 123 L HA 0.236 4.575 4.340 -0.001 0.000 0.267 123 L C -0.647 176.193 176.870 -0.049 0.000 0.995 123 L CA -0.564 54.230 54.840 -0.077 0.000 0.864 123 L CB 0.686 42.671 42.059 -0.123 0.000 1.216 123 L HN 0.165 nan 8.230 nan 0.000 0.430 124 K N 2.602 122.959 120.400 -0.072 0.000 2.156 124 K HA 0.848 5.167 4.320 -0.001 0.000 0.254 124 K C -0.455 176.087 176.600 -0.097 0.000 0.950 124 K CA -0.672 55.570 56.287 -0.075 0.000 0.849 124 K CB 1.751 34.214 32.500 -0.062 0.000 1.100 124 K HN 0.572 nan 8.250 nan 0.000 0.434 125 T N -1.588 112.906 114.554 -0.099 0.000 2.901 125 T HA 0.606 4.956 4.350 -0.001 0.000 0.293 125 T C -0.315 174.421 174.700 0.060 0.000 1.084 125 T CA -0.958 61.084 62.100 -0.097 0.000 1.008 125 T CB 0.907 69.527 68.868 -0.413 0.000 1.170 125 T HN 0.508 nan 8.240 nan 0.000 0.509 126 I N 2.133 122.788 120.570 0.141 0.000 2.420 126 I HA 0.428 4.597 4.170 -0.001 0.000 0.282 126 I C -1.228 175.046 176.117 0.262 0.000 1.019 126 I CA -0.895 60.500 61.300 0.158 0.000 1.130 126 I CB 1.545 39.600 38.000 0.090 0.000 1.262 126 I HN 0.476 nan 8.210 nan 0.000 0.454 127 L N 7.056 128.461 121.223 0.304 0.000 2.329 127 L HA 0.548 4.888 4.340 -0.001 0.000 0.279 127 L C -0.967 176.072 176.870 0.282 0.000 1.014 127 L CA -0.069 54.960 54.840 0.316 0.000 0.814 127 L CB 1.357 43.639 42.059 0.372 0.000 1.257 127 L HN 0.528 nan 8.230 nan 0.000 0.424 128 H N 2.944 122.086 119.070 0.121 0.000 2.934 128 H HA 0.476 5.031 4.556 -0.001 0.000 0.340 128 H C -1.046 174.385 175.328 0.172 0.000 1.008 128 H CA -0.132 55.998 56.048 0.136 0.000 1.317 128 H CB 1.426 31.282 29.762 0.157 0.000 1.670 128 H HN 0.845 nan 8.280 nan 0.000 0.516 129 T N 1.011 115.564 114.554 -0.001 0.000 2.780 129 T HA 0.332 4.682 4.350 -0.001 0.000 0.263 129 T C 0.227 174.824 174.700 -0.172 0.000 0.993 129 T CA -0.655 61.425 62.100 -0.035 0.000 1.010 129 T CB 1.077 69.996 68.868 0.084 0.000 1.642 129 T HN 0.846 nan 8.240 nan 0.000 0.587 130 N N -1.170 117.537 118.700 0.012 0.000 3.444 130 N HA 0.055 4.794 4.740 -0.001 0.000 0.148 130 N C -0.799 174.796 175.510 0.141 0.000 1.071 130 N CA -0.429 52.636 53.050 0.025 0.000 2.391 130 N CB -0.257 38.204 38.487 -0.042 0.000 1.507 130 N HN 0.611 nan 8.380 nan 0.000 0.732 131 M N 1.379 121.013 119.600 0.056 0.000 2.216 131 M HA 0.470 4.950 4.480 -0.001 0.000 0.356 131 M C -2.667 173.546 176.300 -0.145 0.000 1.205 131 M CA -1.119 54.023 55.300 -0.263 0.000 1.122 131 M CB 1.000 33.362 32.600 -0.396 0.000 1.571 131 M HN -0.016 nan 8.290 nan 0.000 0.464 132 P HA 0.143 nan 4.420 nan 0.000 0.275 132 P C -0.213 176.856 177.300 -0.385 0.000 1.227 132 P CA 0.018 63.045 63.100 -0.122 0.000 0.781 132 P CB 0.501 32.149 31.700 -0.086 0.000 0.906 133 N N 1.790 120.017 118.700 -0.787 0.000 2.036 133 N HA -0.151 4.588 4.740 -0.001 0.000 0.199 133 N C -0.339 174.927 175.510 -0.406 0.000 1.036 133 N CA 1.071 53.761 53.050 -0.601 0.000 0.870 133 N CB 0.048 37.967 38.487 -0.946 0.000 1.055 133 N HN 0.100 nan 8.380 nan 0.000 0.436 134 V N 1.838 121.486 119.914 -0.444 0.000 2.313 134 V HA 0.316 4.435 4.120 -0.001 0.000 0.278 134 V C -0.712 175.299 176.094 -0.138 0.000 1.017 134 V CA -0.783 61.379 62.300 -0.230 0.000 0.823 134 V CB 0.814 32.525 31.823 -0.187 0.000 1.010 134 V HN 0.482 nan 8.190 nan 0.000 0.443 135 N N 2.319 120.975 118.700 -0.073 0.000 2.774 135 N HA 0.285 5.024 4.740 -0.001 0.000 0.264 135 N C 0.498 176.069 175.510 0.102 0.000 1.415 135 N CA -0.881 52.184 53.050 0.025 0.000 0.815 135 N CB 1.638 40.142 38.487 0.027 0.000 1.514 135 N HN 0.346 nan 8.380 nan 0.000 0.523 136 E N -0.517 119.788 120.200 0.175 0.000 2.072 136 E HA -0.112 4.237 4.350 -0.001 0.000 0.190 136 E C 1.099 177.861 176.600 0.269 0.000 0.982 136 E CA 0.752 57.284 56.400 0.220 0.000 0.803 136 E CB -0.184 29.635 29.700 0.199 0.000 0.755 136 E HN 0.509 nan 8.360 nan 0.000 0.453 137 F N 0.747 120.755 119.950 0.097 0.000 2.171 137 F HA -0.117 4.409 4.527 -0.001 0.000 0.300 137 F C 1.838 177.479 175.800 -0.265 0.000 1.090 137 F CA 1.150 59.139 58.000 -0.018 0.000 1.293 137 F CB 0.029 39.087 39.000 0.097 0.000 1.013 137 F HN 0.056 nan 8.300 nan 0.000 0.486 138 M N -0.481 118.866 119.600 -0.421 0.000 2.556 138 M HA 0.095 4.574 4.480 -0.001 0.000 0.245 138 M C 0.129 176.259 176.300 -0.283 0.000 1.128 138 M CA 0.322 55.267 55.300 -0.593 0.000 1.069 138 M CB -1.427 30.983 32.600 -0.318 0.000 1.469 138 M HN 0.356 nan 8.290 nan 0.000 0.494 139 F N 0.776 120.659 119.950 -0.112 0.000 2.950 139 F HA -0.245 4.281 4.527 -0.001 0.000 0.334 139 F C 0.637 176.424 175.800 -0.021 0.000 0.979 139 F CA 0.333 58.306 58.000 -0.044 0.000 1.140 139 F CB -2.263 36.710 39.000 -0.045 0.000 1.281 139 F HN 0.287 nan 8.300 nan 0.000 0.734 140 T N -4.061 110.584 114.554 0.152 0.000 3.209 140 T HA 0.093 4.442 4.350 -0.001 0.000 0.295 140 T C 0.903 175.642 174.700 0.066 0.000 0.977 140 T CA 0.330 62.468 62.100 0.064 0.000 0.922 140 T CB 0.058 68.907 68.868 -0.031 0.000 1.152 140 T HN 0.455 nan 8.240 nan 0.000 0.527 141 N N 0.810 119.581 118.700 0.117 0.000 2.184 141 N HA 0.209 4.949 4.740 -0.001 0.000 0.206 141 N C -0.023 175.590 175.510 0.171 0.000 1.151 141 N CA -0.429 52.693 53.050 0.120 0.000 0.878 141 N CB 0.542 39.093 38.487 0.107 0.000 1.014 141 N HN 0.369 nan 8.380 nan 0.000 0.512 142 K N 0.140 120.656 120.400 0.194 0.000 2.433 142 K HA 0.556 4.876 4.320 -0.001 0.000 0.252 142 K C -1.552 175.249 176.600 0.335 0.000 1.015 142 K CA -0.857 55.548 56.287 0.196 0.000 0.860 142 K CB 2.249 34.790 32.500 0.069 0.000 1.359 142 K HN 0.106 nan 8.250 nan 0.000 0.452 143 F N -1.404 118.576 119.950 0.050 0.000 2.637 143 F HA 0.325 4.851 4.527 -0.001 0.000 0.316 143 F C -1.721 174.092 175.800 0.022 0.000 1.023 143 F CA -1.094 56.898 58.000 -0.014 0.000 1.071 143 F CB 0.601 39.584 39.000 -0.028 0.000 1.319 143 F HN 0.195 nan 8.300 nan 0.000 0.541 144 K N 3.199 123.534 120.400 -0.107 0.000 2.174 144 K HA 0.873 5.192 4.320 -0.001 0.000 0.275 144 K C -0.522 176.146 176.600 0.113 0.000 1.015 144 K CA -0.435 55.776 56.287 -0.127 0.000 0.933 144 K CB 1.712 34.131 32.500 -0.135 0.000 1.025 144 K HN 0.899 nan 8.250 nan 0.000 0.463 145 A N 2.540 125.521 122.820 0.268 0.000 2.594 145 A HA 0.509 4.828 4.320 -0.001 0.000 0.295 145 A C -1.396 176.355 177.584 0.278 0.000 1.071 145 A CA -0.786 51.507 52.037 0.427 0.000 0.685 145 A CB 1.501 20.826 19.000 0.543 0.000 1.285 145 A HN 0.747 nan 8.150 nan 0.000 0.405 146 R N 0.787 121.231 120.500 -0.093 0.000 2.295 146 R HA 0.622 4.961 4.340 -0.001 0.000 0.324 146 R C -0.573 175.620 176.300 -0.178 0.000 0.968 146 R CA -0.295 55.529 56.100 -0.459 0.000 0.837 146 R CB 1.084 30.578 30.300 -1.344 0.000 1.133 146 R HN 0.972 nan 8.270 nan 0.000 0.450 147 V N 1.241 121.126 119.914 -0.048 0.000 3.158 147 V HA 0.573 4.692 4.120 -0.001 0.000 0.315 147 V C -0.082 176.112 176.094 0.167 0.000 1.148 147 V CA -1.334 61.012 62.300 0.077 0.000 1.042 147 V CB 1.891 33.763 31.823 0.082 0.000 1.101 147 V HN 0.818 nan 8.190 nan 0.000 0.448 148 M N 1.208 120.904 119.600 0.161 0.000 2.185 148 M HA 0.400 4.879 4.480 -0.001 0.000 0.357 148 M C 0.014 176.325 176.300 0.017 0.000 1.260 148 M CA -0.089 55.167 55.300 -0.073 0.000 1.124 148 M CB 1.544 34.022 32.600 -0.203 0.000 1.600 148 M HN 0.699 nan 8.290 nan 0.000 0.467 149 V N 2.171 122.051 119.914 -0.056 0.000 2.690 149 V HA 0.134 4.254 4.120 -0.001 0.000 0.240 149 V C 0.462 176.535 176.094 -0.035 0.000 1.078 149 V CA 0.982 63.296 62.300 0.023 0.000 1.102 149 V CB 0.575 32.413 31.823 0.025 0.000 0.800 149 V HN 0.936 nan 8.190 nan 0.000 0.479 150 S N 0.378 116.016 115.700 -0.104 0.000 2.541 150 S HA 0.742 5.212 4.470 -0.001 0.000 0.280 150 S C -0.871 173.654 174.600 -0.125 0.000 1.112 150 S CA -0.741 57.404 58.200 -0.093 0.000 0.925 150 S CB 2.748 65.906 63.200 -0.070 0.000 1.067 150 S HN 0.333 nan 8.310 nan 0.000 0.479 151 R N 1.557 122.006 120.500 -0.085 0.000 2.360 151 R HA 0.669 5.009 4.340 -0.001 0.000 0.318 151 R C -0.743 175.525 176.300 -0.053 0.000 0.950 151 R CA -0.015 56.039 56.100 -0.077 0.000 0.837 151 R CB 1.265 31.533 30.300 -0.052 0.000 1.165 151 R HN 0.981 nan 8.270 nan 0.000 0.458 152 S N 3.311 118.981 115.700 -0.049 0.000 2.632 152 S HA 0.509 4.979 4.470 -0.001 0.000 0.289 152 S C -1.300 173.284 174.600 -0.027 0.000 1.115 152 S CA -1.003 57.176 58.200 -0.036 0.000 0.889 152 S CB 1.656 64.836 63.200 -0.034 0.000 1.116 152 S HN 0.425 nan 8.310 nan 0.000 0.486 153 L N 2.131 123.341 121.223 -0.022 0.000 2.255 153 L HA 0.661 5.000 4.340 -0.001 0.000 0.289 153 L C -0.548 176.313 176.870 -0.015 0.000 1.046 153 L CA 0.660 55.490 54.840 -0.017 0.000 0.816 153 L CB 0.507 42.557 42.059 -0.015 0.000 1.197 153 L HN 0.976 nan 8.230 nan 0.000 0.427 154 T N 3.299 117.845 114.554 -0.012 0.000 2.901 154 T HA 0.344 4.694 4.350 -0.001 0.000 0.293 154 T C -0.506 174.189 174.700 -0.007 0.000 1.084 154 T CA -0.986 61.108 62.100 -0.010 0.000 1.008 154 T CB 1.770 70.631 68.868 -0.010 0.000 1.170 154 T HN 0.440 nan 8.240 nan 0.000 0.509 155 K N 2.648 123.045 120.400 -0.006 0.000 3.679 155 K HA -0.305 4.014 4.320 -0.001 0.000 0.274 155 K C 0.036 176.634 176.600 -0.004 0.000 0.839 155 K CA 0.765 57.050 56.287 -0.004 0.000 0.663 155 K CB -1.153 31.346 32.500 -0.002 0.000 1.638 155 K HN 0.785 nan 8.250 nan 0.000 0.443 156 D N -1.475 118.922 120.400 -0.005 0.000 4.018 156 D HA -0.252 4.387 4.640 -0.001 0.000 0.207 156 D C 0.860 177.157 176.300 -0.004 0.000 1.219 156 D CA 2.311 56.308 54.000 -0.004 0.000 2.366 156 D CB -0.674 40.124 40.800 -0.003 0.000 1.202 156 D HN 0.577 nan 8.370 nan 0.000 0.414 157 K N 0.536 120.934 120.400 -0.003 0.000 2.412 157 K HA 0.186 4.506 4.320 -0.001 0.000 0.202 157 K C 0.419 177.018 176.600 -0.003 0.000 1.102 157 K CA -0.074 56.211 56.287 -0.003 0.000 1.027 157 K CB 0.781 33.280 32.500 -0.002 0.000 0.931 157 K HN 0.303 nan 8.250 nan 0.000 0.557 158 Q N 1.771 121.569 119.800 -0.003 0.000 2.352 158 Q HA 0.115 4.454 4.340 -0.001 0.000 0.260 158 Q C -0.176 175.820 176.000 -0.006 0.000 0.976 158 Q CA -0.262 55.540 55.803 -0.002 0.000 0.881 158 Q CB 1.305 30.043 28.738 -0.001 0.000 1.235 158 Q HN -0.014 nan 8.270 nan 0.000 0.419 159 V N -0.364 119.547 119.914 -0.005 0.000 2.311 159 V HA 0.349 4.468 4.120 -0.001 0.000 0.275 159 V C -0.364 175.723 176.094 -0.012 0.000 1.022 159 V CA -0.673 61.620 62.300 -0.011 0.000 0.830 159 V CB 1.062 32.880 31.823 -0.009 0.000 1.012 159 V HN 0.760 nan 8.190 nan 0.000 0.452 160 E N 5.080 125.267 120.200 -0.021 0.000 2.081 160 E HA 0.494 4.843 4.350 -0.001 0.000 0.281 160 E C -1.073 175.496 176.600 -0.053 0.000 0.986 160 E CA -0.585 55.801 56.400 -0.024 0.000 0.796 160 E CB 1.185 30.873 29.700 -0.020 0.000 1.085 160 E HN 0.839 nan 8.360 nan 0.000 0.398 161 L N 5.117 126.306 121.223 -0.057 0.000 2.272 161 L HA 0.411 4.750 4.340 -0.001 0.000 0.289 161 L C -0.066 176.706 176.870 -0.163 0.000 1.032 161 L CA -0.738 54.007 54.840 -0.158 0.000 0.810 161 L CB 0.983 42.963 42.059 -0.130 0.000 1.205 161 L HN 0.259 nan 8.230 nan 0.000 0.422 162 K N 4.189 124.438 120.400 -0.252 0.000 2.394 162 K HA 0.458 4.777 4.320 -0.001 0.000 0.260 162 K C -1.175 175.281 176.600 -0.241 0.000 0.967 162 K CA -0.509 55.692 56.287 -0.144 0.000 0.855 162 K CB 1.835 34.291 32.500 -0.073 0.000 1.101 162 K HN 0.261 nan 8.250 nan 0.000 0.433 163 Y N 0.435 120.704 120.300 -0.052 0.000 2.487 163 Y HA 0.446 4.995 4.550 -0.001 0.000 0.337 163 Y C 0.524 176.360 175.900 -0.107 0.000 1.076 163 Y CA -0.632 57.412 58.100 -0.092 0.000 1.115 163 Y CB 2.111 40.481 38.460 -0.150 0.000 1.235 163 Y HN 0.534 nan 8.280 nan 0.000 0.468 164 E N 0.960 121.181 120.200 0.034 0.000 2.392 164 E HA 0.312 4.661 4.350 -0.001 0.000 0.279 164 E C -2.031 174.517 176.600 -0.087 0.000 0.964 164 E CA -0.792 55.600 56.400 -0.014 0.000 0.777 164 E CB 1.355 31.086 29.700 0.052 0.000 1.249 164 E HN 0.607 nan 8.360 nan 0.000 0.449 165 W N 2.201 123.491 121.300 -0.016 0.000 2.313 165 W HA 0.534 5.194 4.660 -0.001 0.000 0.328 165 W C -0.323 176.094 176.519 -0.170 0.000 1.197 165 W CA -0.211 57.086 57.345 -0.081 0.000 1.235 165 W CB 1.485 30.901 29.460 -0.073 0.000 1.158 165 W HN 0.236 nan 8.180 nan 0.000 0.578 166 V N 2.468 122.357 119.914 -0.041 0.000 3.077 166 V HA 0.323 4.442 4.120 -0.001 0.000 0.299 166 V C -1.337 174.303 176.094 -0.758 0.000 1.276 166 V CA -0.990 61.091 62.300 -0.365 0.000 0.993 166 V CB 1.968 33.509 31.823 -0.469 0.000 1.076 166 V HN 0.584 nan 8.190 nan 0.000 0.434 167 E N 4.905 124.726 120.200 -0.631 0.000 2.081 167 E HA 0.500 4.850 4.350 -0.001 0.000 0.276 167 E C -1.514 174.689 176.600 -0.662 0.000 0.950 167 E CA -0.537 55.492 56.400 -0.619 0.000 0.776 167 E CB 0.757 30.283 29.700 -0.291 0.000 1.094 167 E HN 0.546 nan 8.360 nan 0.000 0.402 168 F N 1.933 121.643 119.950 -0.400 0.000 2.397 168 F HA 0.362 4.888 4.527 -0.001 0.000 0.331 168 F C 0.955 176.654 175.800 -0.169 0.000 1.090 168 F CA -0.793 57.039 58.000 -0.280 0.000 1.065 168 F CB 1.403 40.194 39.000 -0.348 0.000 1.184 168 F HN 0.230 nan 8.300 nan 0.000 0.499 169 T N 0.349 114.996 114.554 0.155 0.000 2.932 169 T HA 0.829 5.178 4.350 -0.001 0.000 0.289 169 T C -0.819 173.985 174.700 0.174 0.000 1.039 169 T CA -0.895 61.294 62.100 0.148 0.000 1.024 169 T CB 1.375 70.299 68.868 0.092 0.000 1.090 169 T HN 0.556 nan 8.240 nan 0.000 0.496 170 L N 1.778 123.095 121.223 0.157 0.000 2.322 170 L HA 0.598 4.937 4.340 -0.001 0.000 0.269 170 L C -2.154 174.771 176.870 0.091 0.000 1.012 170 L CA -2.716 52.200 54.840 0.127 0.000 0.815 170 L CB 2.227 44.352 42.059 0.109 0.000 1.295 170 L HN 0.556 nan 8.230 nan 0.000 0.438 171 P HA 0.144 nan 4.420 nan 0.000 0.280 171 P C -0.552 176.779 177.300 0.052 0.000 1.386 171 P CA -0.387 62.753 63.100 0.067 0.000 0.899 171 P CB 0.495 32.236 31.700 0.068 0.000 1.098 172 E N 1.818 122.051 120.200 0.054 0.000 2.864 172 E HA -0.029 4.320 4.350 -0.001 0.000 0.285 172 E C 1.318 177.937 176.600 0.032 0.000 0.965 172 E CA 1.729 58.153 56.400 0.041 0.000 0.985 172 E CB -0.087 29.660 29.700 0.078 0.000 1.000 172 E HN 0.771 nan 8.360 nan 0.000 0.475 173 G N 3.078 111.860 108.800 -0.031 0.000 4.731 173 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.266 173 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.266 173 G C -0.252 174.566 174.900 -0.137 0.000 1.635 173 G CA -0.061 45.050 45.100 0.019 0.000 1.229 173 G HN 0.828 nan 8.290 nan 0.000 0.663 174 N N 2.119 120.849 118.700 0.050 0.000 2.972 174 N HA -0.009 4.731 4.740 -0.001 0.000 0.295 174 N C 0.354 175.852 175.510 -0.020 0.000 1.162 174 N CA 1.359 54.450 53.050 0.070 0.000 0.895 174 N CB -1.085 37.415 38.487 0.022 0.000 1.022 174 N HN 0.700 nan 8.380 nan 0.000 0.610 175 Y N 1.032 121.306 120.300 -0.044 0.000 2.360 175 Y HA 0.171 4.721 4.550 -0.001 0.000 0.433 175 Y C 1.633 177.490 175.900 -0.072 0.000 1.305 175 Y CA 0.051 58.120 58.100 -0.052 0.000 1.980 175 Y CB -0.579 37.858 38.460 -0.039 0.000 1.700 175 Y HN 0.683 nan 8.280 nan 0.000 0.700 176 S N -0.587 115.188 115.700 0.124 0.000 3.339 176 S HA -0.188 4.282 4.470 -0.001 0.000 0.856 176 S C 0.812 175.381 174.600 -0.051 0.000 1.139 176 S CA 0.466 58.678 58.200 0.019 0.000 1.044 176 S CB -0.479 62.707 63.200 -0.023 0.000 0.721 176 S HN 0.785 nan 8.310 nan 0.000 0.267 177 E N 2.825 122.985 120.200 -0.067 0.000 2.021 177 E HA -0.079 4.270 4.350 -0.001 0.000 0.189 177 E C 1.820 178.331 176.600 -0.148 0.000 0.980 177 E CA 1.278 57.608 56.400 -0.117 0.000 0.803 177 E CB -1.046 28.584 29.700 -0.117 0.000 0.766 177 E HN 0.725 nan 8.360 nan 0.000 0.449 178 T N 1.883 116.356 114.554 -0.135 0.000 2.597 178 T HA -0.280 4.070 4.350 -0.001 0.000 0.267 178 T C 1.861 176.445 174.700 -0.194 0.000 1.053 178 T CA 2.111 64.118 62.100 -0.156 0.000 1.165 178 T CB -0.390 68.394 68.868 -0.140 0.000 0.863 178 T HN 0.217 nan 8.240 nan 0.000 0.427 179 M N 0.757 120.240 119.600 -0.196 0.000 2.202 179 M HA -0.171 4.308 4.480 -0.001 0.000 0.262 179 M C 2.117 178.283 176.300 -0.222 0.000 1.063 179 M CA 1.533 56.681 55.300 -0.253 0.000 1.097 179 M CB -0.477 32.002 32.600 -0.201 0.000 1.382 179 M HN 0.230 nan 8.290 nan 0.000 0.413 180 T N 1.071 115.515 114.554 -0.183 0.000 2.788 180 T HA -0.112 4.237 4.350 -0.001 0.000 0.268 180 T C 1.637 176.195 174.700 -0.237 0.000 1.044 180 T CA 1.573 63.559 62.100 -0.189 0.000 1.139 180 T CB -0.368 68.380 68.868 -0.201 0.000 0.867 180 T HN 0.417 nan 8.240 nan 0.000 0.454 181 I N 1.424 121.843 120.570 -0.252 0.000 2.099 181 I HA -0.219 3.950 4.170 -0.001 0.000 0.239 181 I C 2.333 178.335 176.117 -0.190 0.000 1.066 181 I CA 1.529 62.664 61.300 -0.276 0.000 1.324 181 I CB -0.519 37.362 38.000 -0.198 0.000 1.037 181 I HN 0.143 nan 8.210 nan 0.000 0.401 182 D N 1.080 121.374 120.400 -0.177 0.000 2.157 182 D HA -0.224 4.415 4.640 -0.001 0.000 0.191 182 D C 2.182 178.516 176.300 0.057 0.000 1.004 182 D CA 1.460 55.382 54.000 -0.130 0.000 0.854 182 D CB -0.516 39.967 40.800 -0.529 0.000 0.936 182 D HN 0.263 nan 8.370 nan 0.000 0.446 183 L N -0.429 120.798 121.223 0.006 0.000 2.127 183 L HA -0.171 4.168 4.340 -0.001 0.000 0.211 183 L C 2.428 179.352 176.870 0.090 0.000 1.089 183 L CA 0.904 55.820 54.840 0.128 0.000 0.757 183 L CB -0.294 41.800 42.059 0.057 0.000 0.899 183 L HN 0.107 nan 8.230 nan 0.000 0.434 184 M N -0.999 118.582 119.600 -0.031 0.000 2.081 184 M HA -0.166 4.314 4.480 -0.001 0.000 0.261 184 M C 2.130 178.503 176.300 0.122 0.000 1.075 184 M CA 1.521 56.800 55.300 -0.036 0.000 1.133 184 M CB -0.538 31.713 32.600 -0.582 0.000 1.330 184 M HN 0.218 nan 8.290 nan 0.000 0.414 185 N N 0.970 119.755 118.700 0.142 0.000 2.091 185 N HA -0.227 4.512 4.740 -0.001 0.000 0.193 185 N C 1.385 176.944 175.510 0.082 0.000 1.021 185 N CA 1.957 55.106 53.050 0.166 0.000 0.862 185 N CB -0.817 37.745 38.487 0.124 0.000 1.018 185 N HN 0.411 nan 8.380 nan 0.000 0.429 186 N N 0.802 119.570 118.700 0.113 0.000 2.149 186 N HA -0.106 4.633 4.740 -0.001 0.000 0.188 186 N C 1.524 177.068 175.510 0.057 0.000 1.019 186 N CA 1.620 54.712 53.050 0.070 0.000 0.857 186 N CB -0.209 38.345 38.487 0.111 0.000 0.997 186 N HN 0.208 nan 8.380 nan 0.000 0.426 187 A N 0.313 123.176 122.820 0.071 0.000 2.015 187 A HA -0.017 4.303 4.320 -0.001 0.000 0.219 187 A C 2.046 179.581 177.584 -0.081 0.000 1.163 187 A CA 0.839 52.912 52.037 0.059 0.000 0.646 187 A CB -0.520 18.548 19.000 0.114 0.000 0.806 187 A HN 0.360 nan 8.150 nan 0.000 0.448 188 I N -0.217 120.225 120.570 -0.213 0.000 2.179 188 I HA -0.168 4.001 4.170 -0.001 0.000 0.242 188 I C 2.526 178.679 176.117 0.060 0.000 1.088 188 I CA 1.098 62.223 61.300 -0.292 0.000 1.357 188 I CB -1.412 36.480 38.000 -0.179 0.000 1.051 188 I HN 0.141 nan 8.210 nan 0.000 0.409 189 V N 0.825 120.786 119.914 0.079 0.000 2.223 189 V HA -0.280 3.839 4.120 -0.001 0.000 0.244 189 V C 2.444 178.685 176.094 0.244 0.000 1.045 189 V CA 1.808 64.210 62.300 0.170 0.000 1.000 189 V CB -0.733 31.131 31.823 0.070 0.000 0.635 189 V HN 0.387 nan 8.190 nan 0.000 0.445 190 E N -0.910 119.388 120.200 0.165 0.000 2.253 190 E HA -0.325 4.025 4.350 -0.001 0.000 0.202 190 E C 2.153 178.872 176.600 0.198 0.000 1.014 190 E CA 1.688 58.180 56.400 0.153 0.000 0.823 190 E CB -0.226 29.548 29.700 0.123 0.000 0.736 190 E HN 0.719 nan 8.360 nan 0.000 0.478 191 H N -0.545 118.639 119.070 0.190 0.000 2.343 191 H HA -0.141 4.415 4.556 -0.001 0.000 0.303 191 H C 1.999 177.441 175.328 0.189 0.000 1.068 191 H CA 1.528 57.703 56.048 0.212 0.000 1.359 191 H CB -0.358 29.619 29.762 0.358 0.000 1.402 191 H HN 0.245 nan 8.280 nan 0.000 0.515 192 Y N 1.731 122.179 120.300 0.247 0.000 2.193 192 Y HA -0.211 4.338 4.550 -0.001 0.000 0.285 192 Y C 2.571 178.486 175.900 0.026 0.000 1.166 192 Y CA 1.569 59.757 58.100 0.147 0.000 1.181 192 Y CB -0.657 37.909 38.460 0.177 0.000 0.976 192 Y HN 0.162 nan 8.280 nan 0.000 0.520 193 L N 0.309 121.565 121.223 0.055 0.000 2.191 193 L HA -0.198 4.142 4.340 -0.001 0.000 0.212 193 L C 2.355 179.139 176.870 -0.144 0.000 1.103 193 L CA 1.856 56.657 54.840 -0.066 0.000 0.769 193 L CB -0.423 41.665 42.059 0.049 0.000 0.908 193 L HN 0.230 nan 8.230 nan 0.000 0.438 194 K N -1.229 119.075 120.400 -0.159 0.000 2.353 194 K HA 0.065 4.385 4.320 -0.001 0.000 0.195 194 K C 1.198 177.654 176.600 -0.240 0.000 1.031 194 K CA 0.185 56.368 56.287 -0.174 0.000 1.079 194 K CB 0.819 33.239 32.500 -0.134 0.000 0.857 194 K HN 0.048 nan 8.250 nan 0.000 0.535 195 V N -1.578 118.140 119.914 -0.326 0.000 3.219 195 V HA 0.103 4.222 4.120 -0.001 0.000 0.214 195 V C 1.796 177.745 176.094 -0.241 0.000 1.433 195 V CA 0.697 62.828 62.300 -0.281 0.000 1.301 195 V CB 0.198 31.809 31.823 -0.354 0.000 1.160 195 V HN 0.373 nan 8.190 nan 0.000 0.505 196 G N 2.499 111.143 108.800 -0.260 0.000 2.900 196 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.212 196 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.212 196 G C 1.467 176.130 174.900 -0.396 0.000 1.359 196 G CA 2.021 46.979 45.100 -0.237 0.000 0.800 196 G HN 0.611 nan 8.290 nan 0.000 0.680 197 R N 0.042 120.005 120.500 -0.895 0.000 2.133 197 R HA -0.207 4.132 4.340 -0.001 0.000 0.245 197 R C 1.946 178.108 176.300 -0.230 0.000 1.137 197 R CA 2.024 57.845 56.100 -0.464 0.000 0.947 197 R CB -0.900 29.114 30.300 -0.476 0.000 0.865 197 R HN 0.444 nan 8.270 nan 0.000 0.437 198 Q N 0.885 120.546 119.800 -0.232 0.000 2.336 198 Q HA 0.082 4.421 4.340 -0.001 0.000 0.231 198 Q C -0.538 175.395 176.000 -0.111 0.000 0.900 198 Q CA 0.439 56.157 55.803 -0.143 0.000 0.966 198 Q CB 0.093 28.751 28.738 -0.133 0.000 1.219 198 Q HN 0.445 nan 8.270 nan 0.000 0.412 199 N N -1.351 117.288 118.700 -0.101 0.000 2.278 199 N HA 0.149 4.889 4.740 -0.001 0.000 0.239 199 N C -0.129 175.347 175.510 -0.057 0.000 1.411 199 N CA 0.530 53.537 53.050 -0.072 0.000 0.908 199 N CB 1.081 39.524 38.487 -0.073 0.000 1.307 199 N HN 0.295 nan 8.380 nan 0.000 0.522 200 G N 0.154 108.924 108.800 -0.050 0.000 3.299 200 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.251 200 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.251 200 G C -0.130 174.772 174.900 0.004 0.000 1.741 200 G CA -0.281 44.803 45.100 -0.028 0.000 1.151 200 G HN 0.939 nan 8.290 nan 0.000 0.561 201 V N 3.017 122.941 119.914 0.016 0.000 3.383 201 V HA -0.084 4.035 4.120 -0.001 0.000 0.276 201 V C 1.061 177.274 176.094 0.199 0.000 1.512 201 V CA 1.862 64.213 62.300 0.085 0.000 1.498 201 V CB -0.888 31.005 31.823 0.117 0.000 0.827 201 V HN 0.996 nan 8.190 nan 0.000 0.372 202 L N 5.464 126.758 121.223 0.117 0.000 2.490 202 L HA 0.471 4.810 4.340 -0.001 0.000 0.245 202 L C 1.443 178.327 176.870 0.024 0.000 1.185 202 L CA -0.489 54.413 54.840 0.104 0.000 0.813 202 L CB 0.022 42.093 42.059 0.021 0.000 1.233 202 L HN 0.580 nan 8.230 nan 0.000 0.489 203 E N 0.052 120.188 120.200 -0.108 0.000 2.072 203 E HA -0.117 4.233 4.350 -0.001 0.000 0.190 203 E C 2.106 178.591 176.600 -0.193 0.000 0.982 203 E CA 1.154 57.342 56.400 -0.354 0.000 0.803 203 E CB -0.045 29.318 29.700 -0.562 0.000 0.755 203 E HN 0.627 nan 8.360 nan 0.000 0.453 204 S N 1.669 117.308 115.700 -0.102 0.000 2.413 204 S HA -0.167 4.302 4.470 -0.001 0.000 0.237 204 S C 1.064 175.680 174.600 0.026 0.000 1.044 204 S CA 1.679 59.871 58.200 -0.013 0.000 1.024 204 S CB -0.309 62.888 63.200 -0.006 0.000 0.829 204 S HN 0.424 nan 8.310 nan 0.000 0.475 205 D N 0.129 120.533 120.400 0.006 0.000 3.008 205 D HA 0.202 4.841 4.640 -0.001 0.000 0.312 205 D C -0.382 175.944 176.300 0.043 0.000 1.361 205 D CA -0.284 53.737 54.000 0.036 0.000 0.858 205 D CB -0.604 40.205 40.800 0.013 0.000 1.098 205 D HN 0.266 nan 8.370 nan 0.000 0.482 206 I N 1.066 121.652 120.570 0.027 0.000 2.379 206 I HA 0.276 4.446 4.170 -0.001 0.000 0.290 206 I C 1.096 177.239 176.117 0.043 0.000 1.063 206 I CA -0.449 60.846 61.300 -0.007 0.000 1.351 206 I CB 1.293 39.257 38.000 -0.060 0.000 1.410 206 I HN 0.104 nan 8.210 nan 0.000 0.505 207 G N 4.913 113.747 108.800 0.058 0.000 2.353 207 G HA2 0.484 4.443 3.960 -0.001 0.000 0.284 207 G HA3 0.484 4.443 3.960 -0.001 0.000 0.284 207 G C -0.371 174.504 174.900 -0.042 0.000 1.172 207 G CA -0.258 44.864 45.100 0.036 0.000 0.854 207 G HN 0.523 nan 8.290 nan 0.000 0.485 208 V N 1.203 121.051 119.914 -0.111 0.000 3.284 208 V HA -0.116 4.004 4.120 -0.001 0.000 0.470 208 V C -0.192 175.719 176.094 -0.306 0.000 0.682 208 V CA 0.700 62.869 62.300 -0.220 0.000 2.009 208 V CB -0.946 30.768 31.823 -0.182 0.000 2.467 208 V HN 1.170 nan 8.190 nan 0.000 0.498 209 K N 5.459 125.609 120.400 -0.417 0.000 2.550 209 K HA 0.589 4.908 4.320 -0.001 0.000 0.252 209 K C -1.287 175.080 176.600 -0.387 0.000 0.943 209 K CA -0.749 55.328 56.287 -0.350 0.000 0.806 209 K CB 1.398 33.766 32.500 -0.220 0.000 1.289 209 K HN 0.338 nan 8.250 nan 0.000 0.435 210 F N 2.968 122.882 119.950 -0.060 0.000 2.420 210 F HA 0.293 4.819 4.527 -0.001 0.000 0.352 210 F C 0.980 176.752 175.800 -0.047 0.000 1.108 210 F CA -0.132 57.834 58.000 -0.056 0.000 1.162 210 F CB 0.814 39.755 39.000 -0.099 0.000 1.118 210 F HN 0.461 nan 8.300 nan 0.000 0.510 211 D N 0.489 120.970 120.400 0.134 0.000 2.758 211 D HA 0.410 5.050 4.640 -0.001 0.000 0.262 211 D C -0.138 176.198 176.300 0.059 0.000 1.113 211 D CA -0.279 53.782 54.000 0.101 0.000 1.114 211 D CB 2.320 43.238 40.800 0.197 0.000 1.363 211 D HN 0.524 nan 8.370 nan 0.000 0.617 212 T N -2.027 112.524 114.554 -0.005 0.000 3.855 212 T HA 0.279 4.628 4.350 -0.001 0.000 0.313 212 T C -0.010 174.608 174.700 -0.137 0.000 0.938 212 T CA -0.624 61.438 62.100 -0.063 0.000 1.011 212 T CB -0.023 68.800 68.868 -0.075 0.000 1.188 212 T HN 0.543 nan 8.240 nan 0.000 0.477 213 R N 0.111 120.461 120.500 -0.251 0.000 2.888 213 R HA 0.541 4.880 4.340 -0.001 0.000 0.264 213 R C -0.926 175.043 176.300 -0.551 0.000 1.045 213 R CA -1.016 54.812 56.100 -0.454 0.000 0.962 213 R CB 0.904 30.858 30.300 -0.578 0.000 1.210 213 R HN 0.127 nan 8.270 nan 0.000 0.479 214 N N 1.124 119.447 118.700 -0.628 0.000 3.034 214 N HA 0.139 4.879 4.740 -0.001 0.000 0.265 214 N C -1.015 174.304 175.510 -0.317 0.000 1.166 214 N CA -0.528 52.302 53.050 -0.366 0.000 1.081 214 N CB 0.122 38.361 38.487 -0.413 0.000 1.378 214 N HN 0.343 nan 8.380 nan 0.000 0.520 215 F N 2.272 122.100 119.950 -0.204 0.000 2.616 215 F HA 0.035 4.561 4.527 -0.001 0.000 0.331 215 F C 1.550 177.241 175.800 -0.182 0.000 1.309 215 F CA 0.110 57.955 58.000 -0.260 0.000 1.068 215 F CB 0.015 38.712 39.000 -0.505 0.000 1.464 215 F HN 0.569 nan 8.300 nan 0.000 0.667 216 R N 0.715 121.223 120.500 0.013 0.000 2.475 216 R HA 0.056 4.395 4.340 -0.001 0.000 0.050 216 R C 0.559 176.852 176.300 -0.010 0.000 0.505 216 R CA 0.085 56.139 56.100 -0.077 0.000 0.784 216 R CB -0.792 29.216 30.300 -0.486 0.000 0.896 216 R HN 0.555 nan 8.270 nan 0.000 0.567 217 L N -0.771 120.456 121.223 0.007 0.000 2.044 217 L HA 0.139 4.479 4.340 -0.001 0.000 0.205 217 L C 2.259 179.189 176.870 0.100 0.000 1.075 217 L CA 1.836 56.692 54.840 0.027 0.000 0.747 217 L CB -0.364 41.663 42.059 -0.054 0.000 0.903 217 L HN 0.430 nan 8.230 nan 0.000 0.435 218 G N -0.127 108.742 108.800 0.115 0.000 2.418 218 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.217 218 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.217 218 G C 0.639 175.624 174.900 0.141 0.000 1.158 218 G CA -0.217 44.944 45.100 0.102 0.000 0.771 218 G HN 0.182 nan 8.290 nan 0.000 0.545 219 F N 1.799 121.774 119.950 0.042 0.000 2.295 219 F HA -0.108 4.419 4.527 -0.001 0.000 0.410 219 F C 0.260 176.083 175.800 0.038 0.000 0.891 219 F CA 0.412 58.441 58.000 0.048 0.000 1.125 219 F CB 0.433 39.457 39.000 0.040 0.000 0.860 219 F HN 0.088 nan 8.300 nan 0.000 0.551 220 D N 8.744 128.774 120.400 -0.617 0.000 2.425 220 D HA 0.224 4.864 4.640 -0.001 0.000 0.240 220 D C -1.678 174.250 176.300 -0.620 0.000 1.080 220 D CA -1.771 51.985 54.000 -0.408 0.000 0.836 220 D CB 1.952 42.581 40.800 -0.286 0.000 1.125 220 D HN 0.240 nan 8.370 nan 0.000 0.525 221 P HA -0.139 nan 4.420 nan 0.000 0.222 221 P C 1.170 178.432 177.300 -0.062 0.000 1.142 221 P CA 0.681 63.788 63.100 0.011 0.000 0.788 221 P CB 0.714 32.493 31.700 0.132 0.000 0.767 222 V N -0.498 119.338 119.914 -0.131 0.000 2.599 222 V HA -0.069 4.051 4.120 -0.001 0.000 0.237 222 V C 2.617 178.628 176.094 -0.139 0.000 1.081 222 V CA 1.906 64.149 62.300 -0.095 0.000 1.107 222 V CB -1.716 30.067 31.823 -0.066 0.000 0.808 222 V HN 0.040 nan 8.190 nan 0.000 0.486 223 T N 0.551 114.992 114.554 -0.189 0.000 2.699 223 T HA -0.085 4.264 4.350 -0.001 0.000 0.268 223 T C 1.543 176.114 174.700 -0.215 0.000 1.036 223 T CA 2.039 64.025 62.100 -0.189 0.000 1.147 223 T CB -0.675 68.061 68.868 -0.219 0.000 0.862 223 T HN 0.982 nan 8.240 nan 0.000 0.446 224 G N 0.573 109.151 108.800 -0.370 0.000 2.136 224 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.242 224 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.242 224 G C -0.071 174.719 174.900 -0.183 0.000 0.989 224 G CA 0.054 44.982 45.100 -0.286 0.000 0.682 224 G HN 0.525 nan 8.290 nan 0.000 0.522 225 L N -0.747 120.291 121.223 -0.308 0.000 2.359 225 L HA 0.572 4.911 4.340 -0.001 0.000 0.256 225 L C 0.524 177.336 176.870 -0.097 0.000 1.026 225 L CA -1.434 53.352 54.840 -0.090 0.000 0.828 225 L CB 2.250 44.269 42.059 -0.066 0.000 1.406 225 L HN -0.148 nan 8.230 nan 0.000 0.413 226 V N 2.776 122.721 119.914 0.051 0.000 2.149 226 V HA -0.012 4.107 4.120 -0.001 0.000 0.245 226 V C 1.473 177.537 176.094 -0.049 0.000 1.349 226 V CA -0.253 62.080 62.300 0.054 0.000 1.289 226 V CB 0.083 31.961 31.823 0.091 0.000 1.401 226 V HN 0.717 nan 8.190 nan 0.000 0.501 227 M N 3.567 123.111 119.600 -0.092 0.000 2.186 227 M HA -0.209 4.270 4.480 -0.001 0.000 0.249 227 M C 0.011 176.242 176.300 -0.115 0.000 1.081 227 M CA 2.277 57.495 55.300 -0.138 0.000 1.072 227 M CB -2.436 30.074 32.600 -0.150 0.000 1.318 227 M HN 0.367 nan 8.290 nan 0.000 0.405 228 P HA -0.032 nan 4.420 nan 0.000 0.222 228 P C 0.912 178.178 177.300 -0.056 0.000 1.142 228 P CA 2.120 65.190 63.100 -0.050 0.000 0.788 228 P CB -0.156 31.529 31.700 -0.024 0.000 0.767 229 G N -2.448 106.302 108.800 -0.085 0.000 2.162 229 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.260 229 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.260 229 G C 0.076 174.913 174.900 -0.105 0.000 0.976 229 G CA 0.046 45.096 45.100 -0.084 0.000 0.655 229 G HN 0.385 nan 8.290 nan 0.000 0.533 230 V N -0.297 119.538 119.914 -0.132 0.000 2.851 230 V HA 0.437 4.556 4.120 -0.001 0.000 0.307 230 V C -0.441 175.572 176.094 -0.135 0.000 1.129 230 V CA -1.381 60.845 62.300 -0.123 0.000 0.932 230 V CB 1.814 33.626 31.823 -0.018 0.000 1.024 230 V HN 0.248 nan 8.190 nan 0.000 0.426 231 Y N 1.971 122.316 120.300 0.075 0.000 2.637 231 Y HA 0.135 4.685 4.550 -0.001 0.000 0.350 231 Y C 1.453 177.305 175.900 -0.079 0.000 1.069 231 Y CA 0.259 58.366 58.100 0.012 0.000 1.397 231 Y CB 0.917 39.406 38.460 0.047 0.000 1.163 231 Y HN 0.698 nan 8.280 nan 0.000 0.527 232 T N 3.685 118.270 114.554 0.051 0.000 2.609 232 T HA -0.198 4.152 4.350 -0.001 0.000 0.257 232 T C 0.880 175.542 174.700 -0.064 0.000 1.032 232 T CA -0.059 62.034 62.100 -0.011 0.000 1.244 232 T CB -0.446 68.406 68.868 -0.025 0.000 1.003 232 T HN 0.604 nan 8.240 nan 0.000 0.507 233 N N 4.964 123.653 118.700 -0.019 0.000 2.938 233 N HA 0.036 4.775 4.740 -0.001 0.000 0.286 233 N C -0.073 175.433 175.510 -0.007 0.000 1.316 233 N CA 0.248 53.283 53.050 -0.024 0.000 1.063 233 N CB -0.150 38.347 38.487 0.017 0.000 1.388 233 N HN 0.738 nan 8.380 nan 0.000 0.545 234 E N -0.737 119.453 120.200 -0.017 0.000 2.212 234 E HA 0.594 4.943 4.350 -0.001 0.000 0.268 234 E C -1.076 175.615 176.600 0.151 0.000 0.902 234 E CA -1.030 55.436 56.400 0.110 0.000 0.779 234 E CB 1.469 31.332 29.700 0.272 0.000 1.172 234 E HN 0.294 nan 8.360 nan 0.000 0.409 235 A N 3.179 126.116 122.820 0.195 0.000 2.320 235 A HA 0.366 4.685 4.320 -0.001 0.000 0.287 235 A C -0.631 177.184 177.584 0.385 0.000 1.181 235 A CA -0.071 52.074 52.037 0.180 0.000 0.831 235 A CB -0.001 19.017 19.000 0.031 0.000 1.102 235 A HN 0.618 nan 8.150 nan 0.000 0.513 236 F N 0.003 119.859 119.950 -0.156 0.000 2.577 236 F HA 0.277 4.804 4.527 -0.001 0.000 0.276 236 F C 0.769 176.523 175.800 -0.076 0.000 1.032 236 F CA 0.970 58.890 58.000 -0.133 0.000 1.297 236 F CB -0.109 38.765 39.000 -0.209 0.000 1.061 236 F HN 0.763 nan 8.300 nan 0.000 0.680 237 H N -1.677 117.336 119.070 -0.095 0.000 3.081 237 H HA 0.359 4.914 4.556 -0.001 0.000 0.322 237 H C -3.063 172.225 175.328 -0.067 0.000 1.266 237 H CA -1.627 54.372 56.048 -0.082 0.000 1.279 237 H CB 1.918 31.662 29.762 -0.031 0.000 1.954 237 H HN -0.291 nan 8.280 nan 0.000 0.530 238 P HA 0.201 nan 4.420 nan 0.000 0.271 238 P C -1.110 176.215 177.300 0.041 0.000 1.218 238 P CA 0.146 63.088 63.100 -0.263 0.000 0.780 238 P CB 0.676 32.156 31.700 -0.368 0.000 0.901 239 D N 1.393 121.890 120.400 0.161 0.000 2.615 239 D HA 0.350 4.990 4.640 -0.001 0.000 0.267 239 D C -1.171 175.265 176.300 0.227 0.000 1.236 239 D CA -0.643 53.568 54.000 0.350 0.000 0.839 239 D CB 1.255 42.410 40.800 0.592 0.000 1.380 239 D HN 0.278 nan 8.370 nan 0.000 0.433 240 I N -1.787 118.909 120.570 0.211 0.000 2.465 240 I HA 0.599 4.768 4.170 -0.001 0.000 0.291 240 I C -0.856 175.270 176.117 0.015 0.000 1.014 240 I CA -1.140 60.175 61.300 0.026 0.000 1.093 240 I CB 1.695 39.673 38.000 -0.037 0.000 1.267 240 I HN 0.271 nan 8.210 nan 0.000 0.431 241 I N 6.375 126.868 120.570 -0.127 0.000 2.437 241 I HA 0.512 4.682 4.170 -0.001 0.000 0.298 241 I C -0.396 175.633 176.117 -0.146 0.000 0.984 241 I CA -0.681 60.526 61.300 -0.154 0.000 1.214 241 I CB 1.835 39.637 38.000 -0.329 0.000 1.365 241 I HN 0.478 nan 8.210 nan 0.000 0.469 242 L N 5.888 127.108 121.223 -0.006 0.000 2.371 242 L HA 0.587 4.926 4.340 -0.001 0.000 0.262 242 L C -0.669 176.337 176.870 0.227 0.000 1.006 242 L CA -0.741 54.155 54.840 0.093 0.000 0.818 242 L CB 2.412 44.601 42.059 0.216 0.000 1.354 242 L HN 0.440 nan 8.230 nan 0.000 0.415 243 L N 1.522 122.781 121.223 0.059 0.000 2.358 243 L HA 0.536 4.875 4.340 -0.001 0.000 0.268 243 L C -2.168 174.225 176.870 -0.796 0.000 1.032 243 L CA -1.821 52.969 54.840 -0.082 0.000 0.805 243 L CB 2.142 44.230 42.059 0.048 0.000 1.253 243 L HN 0.267 nan 8.230 nan 0.000 0.452 244 P HA -0.007 nan 4.420 nan 0.000 0.267 244 P C 0.560 177.339 177.300 -0.868 0.000 1.201 244 P CA 0.895 63.115 63.100 -1.465 0.000 0.775 244 P CB 0.445 31.790 31.700 -0.592 0.000 0.854 245 G N -0.059 108.305 108.800 -0.727 0.000 2.322 245 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.264 245 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.264 245 G C 0.531 174.889 174.900 -0.904 0.000 0.992 245 G CA 0.662 45.249 45.100 -0.854 0.000 0.624 245 G HN 0.849 nan 8.290 nan 0.000 0.543 246 C N -1.619 117.303 119.300 -0.630 0.000 2.651 246 C HA 1.110 5.569 4.460 -0.001 0.000 0.416 246 C C 1.071 175.933 174.990 -0.213 0.000 1.818 246 C CA 0.011 58.774 59.018 -0.424 0.000 1.790 246 C CB 1.256 28.858 27.740 -0.231 0.000 2.048 246 C HN 2.245 nan 8.230 nan 0.000 0.470 247 G N -1.371 107.318 108.800 -0.185 0.000 2.324 247 G HA2 0.580 4.540 3.960 -0.001 0.000 0.293 247 G HA3 0.580 4.540 3.960 -0.001 0.000 0.293 247 G C -1.262 173.679 174.900 0.069 0.000 1.297 247 G CA 0.191 45.284 45.100 -0.011 0.000 0.853 247 G HN 2.188 nan 8.290 nan 0.000 0.535 248 V N -2.285 117.765 119.914 0.227 0.000 3.001 248 V HA 0.929 5.049 4.120 -0.001 0.000 0.314 248 V C -1.303 174.971 176.094 0.300 0.000 1.099 248 V CA -0.684 61.785 62.300 0.282 0.000 0.989 248 V CB 2.197 34.110 31.823 0.150 0.000 1.040 248 V HN 1.053 nan 8.190 nan 0.000 0.434 249 D N 1.142 121.594 120.400 0.087 0.000 2.863 249 D HA 0.448 5.088 4.640 -0.001 0.000 0.245 249 D C -0.929 175.189 176.300 -0.302 0.000 1.211 249 D CA -0.409 53.570 54.000 -0.036 0.000 0.888 249 D CB 2.053 42.731 40.800 -0.204 0.000 1.483 249 D HN 0.481 nan 8.370 nan 0.000 0.533 250 F N 1.426 121.374 119.950 -0.002 0.000 2.682 250 F HA 0.099 4.625 4.527 -0.001 0.000 0.308 250 F C 2.323 178.093 175.800 -0.051 0.000 1.093 250 F CA -0.230 57.730 58.000 -0.067 0.000 1.244 250 F CB 0.534 39.348 39.000 -0.310 0.000 1.052 250 F HN 0.323 nan 8.300 nan 0.000 0.573 251 T N -0.846 113.745 114.554 0.061 0.000 2.771 251 T HA -0.282 4.067 4.350 -0.001 0.000 0.262 251 T C 0.733 175.293 174.700 -0.233 0.000 1.027 251 T CA 1.848 63.874 62.100 -0.122 0.000 1.159 251 T CB -0.438 68.210 68.868 -0.368 0.000 0.844 251 T HN 0.284 nan 8.240 nan 0.000 0.478 252 H N 0.030 119.090 119.070 -0.017 0.000 2.429 252 H HA 0.661 5.216 4.556 -0.001 0.000 0.237 252 H C -0.326 174.941 175.328 -0.102 0.000 1.378 252 H CA -0.285 55.686 56.048 -0.128 0.000 1.170 252 H CB 0.338 29.951 29.762 -0.249 0.000 1.671 252 H HN 0.195 nan 8.280 nan 0.000 0.541 253 S N 0.280 116.064 115.700 0.141 0.000 2.556 253 S HA 0.283 4.753 4.470 -0.001 0.000 0.280 253 S C 0.348 175.038 174.600 0.149 0.000 1.141 253 S CA -0.730 57.577 58.200 0.179 0.000 0.883 253 S CB 1.266 64.627 63.200 0.269 0.000 1.103 253 S HN 0.465 nan 8.310 nan 0.000 0.453 254 R N 2.671 123.237 120.500 0.110 0.000 2.297 254 R HA 0.285 4.624 4.340 -0.001 0.000 0.197 254 R C 1.549 177.793 176.300 -0.094 0.000 0.943 254 R CA 0.282 56.389 56.100 0.011 0.000 1.038 254 R CB -0.225 30.085 30.300 0.016 0.000 0.957 254 R HN 0.623 nan 8.270 nan 0.000 0.484 255 L N 0.494 121.677 121.223 -0.066 0.000 2.189 255 L HA -0.264 4.076 4.340 -0.001 0.000 0.214 255 L C 2.583 179.182 176.870 -0.452 0.000 1.097 255 L CA 1.383 56.109 54.840 -0.191 0.000 0.764 255 L CB -0.577 41.420 42.059 -0.103 0.000 0.900 255 L HN 0.259 nan 8.230 nan 0.000 0.436 256 S N 0.652 115.942 115.700 -0.683 0.000 2.368 256 S HA -0.290 4.180 4.470 -0.001 0.000 0.226 256 S C 1.888 176.121 174.600 -0.611 0.000 1.044 256 S CA 2.017 59.537 58.200 -1.133 0.000 1.062 256 S CB -0.374 62.198 63.200 -1.047 0.000 0.931 256 S HN 0.491 nan 8.310 nan 0.000 0.440 257 N N 1.089 119.574 118.700 -0.358 0.000 2.348 257 N HA -0.088 4.651 4.740 -0.001 0.000 0.185 257 N C 1.598 176.973 175.510 -0.225 0.000 1.019 257 N CA 1.217 54.132 53.050 -0.226 0.000 0.880 257 N CB -0.525 37.880 38.487 -0.137 0.000 0.965 257 N HN 0.466 nan 8.380 nan 0.000 0.437 258 L N 0.847 121.906 121.223 -0.273 0.000 2.131 258 L HA 0.052 4.391 4.340 -0.001 0.000 0.206 258 L C 1.958 178.655 176.870 -0.288 0.000 1.087 258 L CA 1.074 55.765 54.840 -0.248 0.000 0.767 258 L CB -0.282 41.623 42.059 -0.256 0.000 0.917 258 L HN 0.055 nan 8.230 nan 0.000 0.441 259 L N -0.196 120.801 121.223 -0.377 0.000 2.291 259 L HA 0.124 4.464 4.340 -0.001 0.000 0.214 259 L C 1.361 178.031 176.870 -0.334 0.000 1.120 259 L CA 0.687 55.296 54.840 -0.386 0.000 0.799 259 L CB -0.854 40.936 42.059 -0.448 0.000 0.925 259 L HN 0.551 nan 8.230 nan 0.000 0.446 260 G N 1.233 109.881 108.800 -0.252 0.000 2.248 260 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.252 260 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.252 260 G C -0.148 174.714 174.900 -0.063 0.000 1.085 260 G CA -0.303 44.749 45.100 -0.079 0.000 0.845 260 G HN 0.279 nan 8.290 nan 0.000 0.494 261 I N 0.221 120.634 120.570 -0.262 0.000 2.468 261 I HA 0.485 4.654 4.170 -0.001 0.000 0.284 261 I C 0.349 176.403 176.117 -0.105 0.000 1.038 261 I CA -0.785 60.307 61.300 -0.347 0.000 1.083 261 I CB 1.487 39.028 38.000 -0.765 0.000 1.223 261 I HN 0.110 nan 8.210 nan 0.000 0.443 262 R N 4.484 124.992 120.500 0.012 0.000 2.888 262 R HA 0.589 4.928 4.340 -0.001 0.000 0.266 262 R C -0.819 175.457 176.300 -0.040 0.000 1.020 262 R CA -1.194 54.969 56.100 0.105 0.000 0.963 262 R CB 2.403 32.715 30.300 0.020 0.000 1.197 262 R HN 0.398 nan 8.270 nan 0.000 0.481 263 K N 1.259 121.551 120.400 -0.181 0.000 2.270 263 K HA 0.166 4.485 4.320 -0.001 0.000 0.276 263 K C 0.761 177.310 176.600 -0.086 0.000 1.023 263 K CA -0.124 56.008 56.287 -0.257 0.000 0.955 263 K CB 1.010 33.327 32.500 -0.305 0.000 0.975 263 K HN 0.360 nan 8.250 nan 0.000 0.471 264 R N 1.313 121.806 120.500 -0.012 0.000 2.323 264 R HA -0.063 4.277 4.340 -0.001 0.000 0.198 264 R C 0.156 176.472 176.300 0.027 0.000 0.988 264 R CA 0.907 57.023 56.100 0.026 0.000 1.041 264 R CB 0.207 30.548 30.300 0.068 0.000 0.926 264 R HN 0.509 nan 8.270 nan 0.000 0.476 265 Q N -0.994 118.814 119.800 0.013 0.000 3.394 265 Q HA 0.156 4.495 4.340 -0.001 0.000 0.285 265 Q C -2.280 173.691 176.000 -0.048 0.000 0.866 265 Q CA -1.508 54.309 55.803 0.023 0.000 0.844 265 Q CB 1.688 30.469 28.738 0.073 0.000 1.472 265 Q HN -0.029 nan 8.270 nan 0.000 0.401 266 P HA -0.245 nan 4.420 nan 0.000 0.221 266 P C 0.581 177.687 177.300 -0.324 0.000 1.160 266 P CA 1.728 64.613 63.100 -0.358 0.000 0.933 266 P CB 0.051 31.354 31.700 -0.662 0.000 0.793 267 F N -1.070 118.900 119.950 0.035 0.000 2.494 267 F HA -0.110 4.416 4.527 -0.001 0.000 0.298 267 F C 1.309 177.126 175.800 0.028 0.000 1.106 267 F CA 0.652 58.673 58.000 0.035 0.000 1.452 267 F CB -1.223 37.796 39.000 0.031 0.000 1.085 267 F HN -0.014 nan 8.300 nan 0.000 0.569 268 Q N 2.416 122.295 119.800 0.130 0.000 2.837 268 Q HA 0.041 4.380 4.340 -0.001 0.000 0.235 268 Q C 0.007 176.037 176.000 0.050 0.000 1.348 268 Q CA -0.267 55.585 55.803 0.081 0.000 0.990 268 Q CB -0.518 28.248 28.738 0.047 0.000 1.570 268 Q HN 0.482 nan 8.270 nan 0.000 0.575 269 E N 0.586 120.826 120.200 0.067 0.000 3.025 269 E HA -0.003 4.346 4.350 -0.001 0.000 0.248 269 E C 0.185 176.798 176.600 0.023 0.000 0.938 269 E CA 0.491 56.921 56.400 0.050 0.000 0.958 269 E CB -0.081 29.651 29.700 0.054 0.000 0.898 269 E HN 0.612 nan 8.360 nan 0.000 0.537 270 G N 4.063 112.886 108.800 0.038 0.000 2.823 270 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.235 270 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.235 270 G C -0.980 174.003 174.900 0.138 0.000 3.696 270 G CA -0.927 44.196 45.100 0.038 0.000 0.652 270 G HN 0.539 nan 8.290 nan 0.000 0.431 271 F N 2.669 122.663 119.950 0.072 0.000 2.377 271 F HA 0.578 5.104 4.527 -0.001 0.000 0.360 271 F C 0.810 176.731 175.800 0.202 0.000 1.147 271 F CA -0.667 57.441 58.000 0.180 0.000 1.170 271 F CB 0.392 39.498 39.000 0.176 0.000 1.339 271 F HN 0.083 nan 8.300 nan 0.000 0.552 272 R N 6.198 127.036 120.500 0.563 0.000 2.451 272 R HA 0.445 4.784 4.340 -0.001 0.000 0.307 272 R C -1.184 175.457 176.300 0.569 0.000 0.965 272 R CA -0.803 55.561 56.100 0.440 0.000 0.865 272 R CB 2.320 32.764 30.300 0.240 0.000 1.174 272 R HN 0.635 nan 8.270 nan 0.000 0.455 273 I N 3.176 124.072 120.570 0.543 0.000 2.428 273 I HA 0.209 4.378 4.170 -0.001 0.000 0.279 273 I C -0.406 175.939 176.117 0.381 0.000 1.040 273 I CA -0.107 61.503 61.300 0.516 0.000 1.171 273 I CB 1.399 39.683 38.000 0.473 0.000 1.312 273 I HN 0.520 nan 8.210 nan 0.000 0.470 274 T N 5.468 120.228 114.554 0.344 0.000 2.828 274 T HA 0.010 4.359 4.350 -0.001 0.000 0.290 274 T C 0.686 175.523 174.700 0.227 0.000 1.019 274 T CA 0.058 62.310 62.100 0.253 0.000 1.031 274 T CB 0.975 69.969 68.868 0.210 0.000 1.001 274 T HN 0.550 nan 8.240 nan 0.000 0.531 275 Y N 1.300 121.629 120.300 0.048 0.000 2.145 275 Y HA -0.197 4.353 4.550 -0.001 0.000 0.286 275 Y C 2.297 178.230 175.900 0.056 0.000 1.145 275 Y CA 1.823 59.940 58.100 0.029 0.000 1.148 275 Y CB -0.295 38.140 38.460 -0.042 0.000 0.981 275 Y HN 0.732 nan 8.280 nan 0.000 0.507 276 D N 0.122 120.592 120.400 0.116 0.000 2.203 276 D HA -0.215 4.424 4.640 -0.001 0.000 0.199 276 D C 1.451 177.753 176.300 0.004 0.000 0.997 276 D CA 1.749 55.765 54.000 0.026 0.000 0.863 276 D CB -0.107 40.747 40.800 0.090 0.000 0.928 276 D HN 0.551 nan 8.370 nan 0.000 0.458 277 D N 0.215 120.671 120.400 0.094 0.000 2.117 277 D HA -0.071 4.569 4.640 -0.001 0.000 0.198 277 D C 1.257 177.635 176.300 0.129 0.000 0.982 277 D CA 0.230 54.338 54.000 0.180 0.000 0.828 277 D CB -0.044 40.977 40.800 0.369 0.000 0.967 277 D HN 0.295 nan 8.370 nan 0.000 0.464 278 L N 2.235 123.490 121.223 0.053 0.000 2.869 278 L HA 0.033 4.372 4.340 -0.001 0.000 0.240 278 L C 0.972 177.767 176.870 -0.125 0.000 1.448 278 L CA -0.241 54.593 54.840 -0.010 0.000 1.158 278 L CB -0.825 41.214 42.059 -0.033 0.000 1.497 278 L HN -0.048 nan 8.230 nan 0.000 0.447 279 E N 0.999 121.156 120.200 -0.072 0.000 2.683 279 E HA 0.135 4.484 4.350 -0.001 0.000 0.266 279 E C 0.896 177.429 176.600 -0.111 0.000 1.434 279 E CA 0.528 56.872 56.400 -0.093 0.000 1.137 279 E CB 0.331 30.009 29.700 -0.036 0.000 0.992 279 E HN 0.417 nan 8.360 nan 0.000 0.607 280 G N -0.572 108.172 108.800 -0.094 0.000 2.903 280 G HA2 0.103 4.062 3.960 -0.001 0.000 0.332 280 G HA3 0.103 4.062 3.960 -0.001 0.000 0.332 280 G C 0.512 175.311 174.900 -0.168 0.000 0.190 280 G CA 0.699 45.732 45.100 -0.112 0.000 1.231 280 G HN 1.084 nan 8.290 nan 0.000 0.363 281 G N 2.109 110.752 108.800 -0.261 0.000 2.678 281 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.175 281 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.175 281 G C -0.315 174.406 174.900 -0.297 0.000 1.078 281 G CA -0.204 44.722 45.100 -0.290 0.000 0.864 281 G HN 0.970 nan 8.290 nan 0.000 0.521 282 N N 0.890 119.346 118.700 -0.407 0.000 2.430 282 N HA 0.419 5.158 4.740 -0.001 0.000 0.292 282 N C 0.837 176.148 175.510 -0.332 0.000 1.051 282 N CA -0.583 52.294 53.050 -0.287 0.000 0.917 282 N CB 1.727 40.082 38.487 -0.219 0.000 1.164 282 N HN 0.317 nan 8.380 nan 0.000 0.484 283 I N 2.572 123.008 120.570 -0.224 0.000 2.919 283 I HA -0.076 4.093 4.170 -0.001 0.000 0.299 283 I C -1.807 174.298 176.117 -0.020 0.000 1.221 283 I CA -0.697 60.476 61.300 -0.212 0.000 1.424 283 I CB -0.260 37.491 38.000 -0.414 0.000 1.358 283 I HN 0.186 nan 8.210 nan 0.000 0.551 284 P HA 0.093 nan 4.420 nan 0.000 0.272 284 P C -0.553 177.032 177.300 0.475 0.000 1.254 284 P CA -0.221 63.119 63.100 0.399 0.000 0.795 284 P CB 0.602 32.632 31.700 0.550 0.000 1.022 285 A N 0.442 123.527 122.820 0.441 0.000 2.269 285 A HA 0.617 4.936 4.320 -0.001 0.000 0.327 285 A C -0.530 177.190 177.584 0.226 0.000 1.112 285 A CA -0.724 51.530 52.037 0.363 0.000 0.865 285 A CB 0.094 19.256 19.000 0.270 0.000 1.227 285 A HN 0.435 nan 8.150 nan 0.000 0.498 286 L N 0.770 122.072 121.223 0.131 0.000 2.334 286 L HA 0.349 4.688 4.340 -0.001 0.000 0.277 286 L C -0.008 176.854 176.870 -0.013 0.000 1.075 286 L CA -0.687 54.139 54.840 -0.023 0.000 0.804 286 L CB 0.993 43.007 42.059 -0.075 0.000 1.174 286 L HN 0.696 nan 8.230 nan 0.000 0.438 287 L N 2.180 123.371 121.223 -0.054 0.000 2.461 287 L HA 0.070 4.409 4.340 -0.001 0.000 0.272 287 L C 0.515 177.359 176.870 -0.043 0.000 1.197 287 L CA 0.392 55.193 54.840 -0.066 0.000 0.836 287 L CB 0.357 42.340 42.059 -0.128 0.000 1.105 287 L HN 0.507 nan 8.230 nan 0.000 0.477 288 D N 3.805 124.192 120.400 -0.020 0.000 2.608 288 D HA -0.040 4.600 4.640 -0.001 0.000 0.224 288 D C 1.390 177.709 176.300 0.033 0.000 1.123 288 D CA 0.177 54.177 54.000 -0.001 0.000 1.030 288 D CB 0.396 41.200 40.800 0.007 0.000 1.093 288 D HN 0.569 nan 8.370 nan 0.000 0.497 289 V N 3.445 123.367 119.914 0.014 0.000 2.277 289 V HA -0.317 3.802 4.120 -0.001 0.000 0.255 289 V C 1.607 177.760 176.094 0.099 0.000 1.074 289 V CA 2.194 64.524 62.300 0.049 0.000 1.058 289 V CB -0.010 31.825 31.823 0.020 0.000 0.656 289 V HN 0.433 nan 8.190 nan 0.000 0.449 290 D N -0.154 120.280 120.400 0.056 0.000 2.078 290 D HA -0.132 4.507 4.640 -0.001 0.000 0.193 290 D C 2.229 178.561 176.300 0.053 0.000 0.990 290 D CA 1.924 55.952 54.000 0.046 0.000 0.827 290 D CB -0.574 40.238 40.800 0.020 0.000 0.975 290 D HN 0.578 nan 8.370 nan 0.000 0.451 291 A N 0.646 123.495 122.820 0.050 0.000 1.859 291 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 291 A C 2.241 179.865 177.584 0.066 0.000 1.209 291 A CA 2.095 54.159 52.037 0.044 0.000 0.639 291 A CB -1.544 17.480 19.000 0.040 0.000 0.835 291 A HN 0.394 nan 8.150 nan 0.000 0.450 292 Y N 0.343 120.632 120.300 -0.018 0.000 1.997 292 Y HA -0.379 4.170 4.550 -0.001 0.000 0.265 292 Y C 2.610 178.503 175.900 -0.013 0.000 1.193 292 Y CA 2.769 60.859 58.100 -0.017 0.000 1.106 292 Y CB -0.734 37.715 38.460 -0.018 0.000 0.940 292 Y HN 0.488 nan 8.280 nan 0.000 0.494 293 Q N -0.323 119.484 119.800 0.012 0.000 1.975 293 Q HA -0.251 4.088 4.340 -0.001 0.000 0.205 293 Q C 2.547 178.474 176.000 -0.122 0.000 0.990 293 Q CA 1.705 57.448 55.803 -0.100 0.000 0.845 293 Q CB -0.612 28.162 28.738 0.059 0.000 0.913 293 Q HN 0.671 nan 8.270 nan 0.000 0.420 294 A N 0.429 123.217 122.820 -0.052 0.000 1.927 294 A HA -0.242 4.077 4.320 -0.001 0.000 0.220 294 A C 2.105 179.644 177.584 -0.076 0.000 1.185 294 A CA 1.991 53.999 52.037 -0.048 0.000 0.639 294 A CB -0.889 18.097 19.000 -0.023 0.000 0.820 294 A HN 0.413 nan 8.150 nan 0.000 0.451 295 S N -1.637 114.005 115.700 -0.097 0.000 2.537 295 S HA 0.035 4.505 4.470 -0.001 0.000 0.240 295 S C 0.724 175.236 174.600 -0.145 0.000 0.981 295 S CA 0.568 58.705 58.200 -0.106 0.000 0.948 295 S CB -0.727 62.417 63.200 -0.093 0.000 0.759 295 S HN 0.385 nan 8.310 nan 0.000 0.531 374 K N 0.441 120.845 120.400 0.007 0.000 2.580 374 K HA 0.180 4.499 4.320 -0.001 0.000 0.258 374 K C -2.499 174.134 176.600 0.055 0.000 0.936 374 K CA -1.400 54.895 56.287 0.014 0.000 0.852 374 K CB 2.035 34.574 32.500 0.064 0.000 1.329 374 K HN 0.206 nan 8.250 nan 0.000 0.430 375 P HA -0.259 nan 4.420 nan 0.000 0.213 375 P C 1.338 178.691 177.300 0.089 0.000 1.170 375 P CA 1.731 64.871 63.100 0.066 0.000 0.902 375 P CB -0.009 31.730 31.700 0.065 0.000 0.789 376 V N -1.493 118.525 119.914 0.174 0.000 0.811 376 V HA -0.451 3.668 4.120 -0.001 0.000 0.097 376 V C 1.846 177.950 176.094 0.016 0.000 1.319 376 V CA 2.819 65.175 62.300 0.093 0.000 3.129 376 V CB -2.172 29.695 31.823 0.072 0.000 0.563 376 V HN 0.137 nan 8.190 nan 0.000 0.469 377 I N 0.365 120.940 120.570 0.008 0.000 2.442 377 I HA -0.261 3.909 4.170 -0.001 0.000 0.261 377 I C 1.722 177.834 176.117 -0.008 0.000 1.132 377 I CA 1.963 63.255 61.300 -0.012 0.000 1.412 377 I CB -0.773 37.221 38.000 -0.010 0.000 1.091 377 I HN 0.534 nan 8.210 nan 0.000 0.448 378 K N 3.482 123.884 120.400 0.005 0.000 2.361 378 K HA 0.066 4.385 4.320 -0.001 0.000 0.283 378 K C -2.143 174.454 176.600 -0.005 0.000 1.078 378 K CA -1.095 55.193 56.287 0.002 0.000 1.041 378 K CB 0.191 32.698 32.500 0.012 0.000 0.932 378 K HN 0.064 nan 8.250 nan 0.000 0.462 379 P HA 0.047 nan 4.420 nan 0.000 0.285 379 P C -0.501 176.794 177.300 -0.008 0.000 1.448 379 P CA -0.804 62.301 63.100 0.009 0.000 0.953 379 P CB 0.647 32.367 31.700 0.032 0.000 1.175 380 L N 4.042 125.246 121.223 -0.032 0.000 2.927 380 L HA -0.117 4.222 4.340 -0.001 0.000 0.292 380 L C 1.146 177.909 176.870 -0.178 0.000 1.088 380 L CA 1.498 56.279 54.840 -0.099 0.000 0.969 380 L CB -1.015 40.981 42.059 -0.104 0.000 1.399 380 L HN 0.335 nan 8.230 nan 0.000 0.458 381 T N 3.697 118.146 114.554 -0.175 0.000 3.043 381 T HA 0.056 4.406 4.350 -0.001 0.000 0.263 381 T C 0.733 175.236 174.700 -0.328 0.000 1.094 381 T CA 1.440 63.429 62.100 -0.183 0.000 1.127 381 T CB 0.223 69.033 68.868 -0.096 0.000 0.905 381 T HN 0.766 nan 8.240 nan 0.000 0.490 382 E N 0.164 120.116 120.200 -0.412 0.000 4.448 382 E HA 0.433 4.782 4.350 -0.001 0.000 0.159 382 E C -1.195 175.103 176.600 -0.504 0.000 1.117 382 E CA -0.707 55.444 56.400 -0.416 0.000 0.873 382 E CB 1.008 30.599 29.700 -0.182 0.000 1.896 382 E HN 0.248 nan 8.360 nan 0.000 0.412 383 D N -0.643 119.630 120.400 -0.212 0.000 2.871 383 D HA 0.071 4.710 4.640 -0.001 0.000 0.330 383 D C -0.846 175.433 176.300 -0.035 0.000 1.364 383 D CA -0.555 53.388 54.000 -0.096 0.000 0.759 383 D CB -0.326 40.488 40.800 0.023 0.000 1.325 383 D HN 0.193 nan 8.370 nan 0.000 0.452 384 S N -0.693 115.008 115.700 0.002 0.000 2.589 384 S HA 0.105 4.575 4.470 -0.001 0.000 0.256 384 S C 0.418 175.019 174.600 0.002 0.000 1.383 384 S CA 0.192 58.394 58.200 0.004 0.000 0.983 384 S CB -0.153 63.058 63.200 0.018 0.000 0.908 384 S HN 0.636 nan 8.310 nan 0.000 0.572 385 K N -0.164 120.234 120.400 -0.003 0.000 2.905 385 K HA -0.236 4.084 4.320 -0.001 0.000 0.256 385 K C -0.668 175.921 176.600 -0.018 0.000 1.008 385 K CA 0.991 57.273 56.287 -0.010 0.000 0.752 385 K CB -1.551 30.944 32.500 -0.008 0.000 1.216 385 K HN 0.596 nan 8.250 nan 0.000 0.479 386 K N 0.273 120.660 120.400 -0.022 0.000 5.029 386 K HA -0.262 4.057 4.320 -0.001 0.000 0.303 386 K C -0.528 176.056 176.600 -0.027 0.000 0.753 386 K CA 1.111 57.378 56.287 -0.033 0.000 0.889 386 K CB -0.714 31.766 32.500 -0.033 0.000 1.950 386 K HN 0.328 nan 8.250 nan 0.000 0.390 387 R N 1.008 121.502 120.500 -0.009 0.000 2.514 387 R HA 0.277 4.616 4.340 -0.001 0.000 0.301 387 R C 0.025 176.354 176.300 0.048 0.000 0.962 387 R CA -0.717 55.398 56.100 0.024 0.000 0.882 387 R CB 1.729 32.071 30.300 0.070 0.000 1.143 387 R HN 0.478 nan 8.270 nan 0.000 0.452 388 S N 1.518 117.247 115.700 0.049 0.000 2.565 388 S HA 0.172 4.641 4.470 -0.001 0.000 0.274 388 S C -0.060 174.661 174.600 0.200 0.000 1.309 388 S CA -0.562 57.667 58.200 0.049 0.000 1.043 388 S CB 0.526 63.730 63.200 0.005 0.000 0.939 388 S HN 0.565 nan 8.310 nan 0.000 0.504 389 Y N 2.007 122.277 120.300 -0.049 0.000 2.775 389 Y HA 0.298 4.847 4.550 -0.001 0.000 0.349 389 Y C 0.853 176.623 175.900 -0.217 0.000 1.094 389 Y CA -1.618 56.429 58.100 -0.089 0.000 1.467 389 Y CB -1.760 36.711 38.460 0.018 0.000 1.272 389 Y HN 0.735 nan 8.280 nan 0.000 0.515 390 N N 1.401 120.056 118.700 -0.074 0.000 2.770 390 N HA -0.240 4.499 4.740 -0.001 0.000 0.283 390 N C -0.525 174.934 175.510 -0.085 0.000 1.009 390 N CA 0.609 53.577 53.050 -0.137 0.000 0.828 390 N CB -0.507 37.803 38.487 -0.295 0.000 0.939 390 N HN 0.403 nan 8.380 nan 0.000 0.580 391 L N 1.463 122.685 121.223 -0.003 0.000 2.380 391 L HA 0.134 4.474 4.340 -0.001 0.000 0.273 391 L C 2.404 179.295 176.870 0.034 0.000 1.138 391 L CA -0.458 54.405 54.840 0.039 0.000 0.832 391 L CB 0.677 42.770 42.059 0.056 0.000 1.124 391 L HN 0.335 nan 8.230 nan 0.000 0.454 392 I N 0.527 121.135 120.570 0.064 0.000 2.185 392 I HA -0.191 3.979 4.170 -0.001 0.000 0.246 392 I C 0.958 177.100 176.117 0.042 0.000 1.088 392 I CA 1.274 62.611 61.300 0.063 0.000 1.347 392 I CB -0.176 37.886 38.000 0.102 0.000 1.041 392 I HN 0.701 nan 8.210 nan 0.000 0.415 393 S N -0.575 115.147 115.700 0.036 0.000 2.625 393 S HA 0.359 4.828 4.470 -0.001 0.000 0.271 393 S C 0.122 174.730 174.600 0.013 0.000 1.161 393 S CA -0.788 57.424 58.200 0.021 0.000 0.820 393 S CB 1.081 64.291 63.200 0.018 0.000 1.137 393 S HN 0.254 nan 8.310 nan 0.000 0.470 394 N N 1.264 119.967 118.700 0.005 0.000 2.513 394 N HA -0.085 4.654 4.740 -0.001 0.000 0.187 394 N C 0.246 175.754 175.510 -0.003 0.000 1.056 394 N CA 1.387 54.437 53.050 0.000 0.000 0.907 394 N CB -0.356 38.130 38.487 -0.003 0.000 0.954 394 N HN 0.618 nan 8.380 nan 0.000 0.445 395 D N 0.143 120.540 120.400 -0.005 0.000 2.805 395 D HA 0.031 4.670 4.640 -0.001 0.000 0.271 395 D C 0.503 176.786 176.300 -0.027 0.000 1.166 395 D CA 0.131 54.121 54.000 -0.017 0.000 1.004 395 D CB -0.739 40.049 40.800 -0.020 0.000 1.136 395 D HN -0.173 nan 8.370 nan 0.000 0.444 396 S N 0.661 116.341 115.700 -0.033 0.000 2.593 396 S HA -0.029 4.441 4.470 -0.001 0.000 0.303 396 S C 1.538 176.115 174.600 -0.039 0.000 1.267 396 S CA 0.669 58.828 58.200 -0.068 0.000 1.047 396 S CB 0.738 63.917 63.200 -0.034 0.000 0.777 396 S HN 0.459 nan 8.310 nan 0.000 0.498 397 T N 0.868 115.353 114.554 -0.115 0.000 3.081 397 T HA 0.212 4.561 4.350 -0.001 0.000 0.255 397 T C 0.392 175.225 174.700 0.222 0.000 1.113 397 T CA 0.099 62.200 62.100 0.000 0.000 1.082 397 T CB -0.274 68.560 68.868 -0.058 0.000 0.939 397 T HN 0.446 nan 8.240 nan 0.000 0.506 398 F N 2.616 122.629 119.950 0.105 0.000 2.371 398 F HA 0.462 4.988 4.527 -0.001 0.000 0.329 398 F C 1.360 177.210 175.800 0.083 0.000 1.107 398 F CA -1.257 56.806 58.000 0.104 0.000 1.137 398 F CB 1.270 40.317 39.000 0.079 0.000 1.214 398 F HN 0.071 nan 8.300 nan 0.000 0.536 399 T N -0.911 113.807 114.554 0.273 0.000 2.936 399 T HA 0.195 4.545 4.350 -0.001 0.000 0.282 399 T C 0.320 175.069 174.700 0.081 0.000 1.003 399 T CA -0.713 61.464 62.100 0.128 0.000 1.005 399 T CB 1.753 70.667 68.868 0.076 0.000 1.097 399 T HN 0.673 nan 8.240 nan 0.000 0.532 400 Q N -0.454 119.340 119.800 -0.010 0.000 2.472 400 Q HA 0.120 4.459 4.340 -0.001 0.000 0.208 400 Q C -0.454 175.650 176.000 0.173 0.000 0.958 400 Q CA 0.366 56.207 55.803 0.063 0.000 0.932 400 Q CB -0.130 28.595 28.738 -0.022 0.000 1.007 400 Q HN 0.663 nan 8.270 nan 0.000 0.508 401 Y N 0.888 121.207 120.300 0.032 0.000 2.480 401 Y HA 0.142 4.692 4.550 -0.001 0.000 0.341 401 Y C 0.297 176.158 175.900 -0.064 0.000 1.031 401 Y CA -0.700 57.377 58.100 -0.039 0.000 1.295 401 Y CB 0.455 38.794 38.460 -0.200 0.000 1.162 401 Y HN -0.100 nan 8.280 nan 0.000 0.523 402 R N 2.103 122.718 120.500 0.192 0.000 2.346 402 R HA 0.280 4.619 4.340 -0.001 0.000 0.311 402 R C -0.623 175.655 176.300 -0.036 0.000 0.983 402 R CA -0.414 55.683 56.100 -0.004 0.000 0.880 402 R CB 1.580 31.797 30.300 -0.139 0.000 1.100 402 R HN 0.494 nan 8.270 nan 0.000 0.453 403 S N 2.522 118.180 115.700 -0.070 0.000 2.454 403 S HA 0.157 4.627 4.470 -0.001 0.000 0.306 403 S C 0.404 175.072 174.600 0.114 0.000 1.100 403 S CA -0.815 57.393 58.200 0.013 0.000 1.087 403 S CB 0.548 63.752 63.200 0.006 0.000 1.019 403 S HN 0.748 nan 8.310 nan 0.000 0.480 404 W N 5.363 126.700 121.300 0.061 0.000 2.352 404 W HA -0.169 4.490 4.660 -0.001 0.000 0.322 404 W C 1.689 178.297 176.519 0.148 0.000 1.208 404 W CA 1.872 59.273 57.345 0.093 0.000 1.286 404 W CB -0.988 28.536 29.460 0.107 0.000 1.167 404 W HN 0.975 nan 8.180 nan 0.000 0.469 405 Y N 0.850 121.184 120.300 0.056 0.000 2.219 405 Y HA -0.356 4.193 4.550 -0.001 0.000 0.283 405 Y C 2.205 178.010 175.900 -0.158 0.000 1.191 405 Y CA 2.607 60.611 58.100 -0.161 0.000 1.199 405 Y CB -0.679 37.867 38.460 0.144 0.000 0.972 405 Y HN 0.036 nan 8.280 nan 0.000 0.527 406 L N -1.213 119.980 121.223 -0.049 0.000 2.023 406 L HA -0.154 4.186 4.340 -0.001 0.000 0.205 406 L C 2.818 179.598 176.870 -0.149 0.000 1.073 406 L CA 1.019 55.818 54.840 -0.068 0.000 0.745 406 L CB -1.225 40.768 42.059 -0.110 0.000 0.900 406 L HN 0.238 nan 8.230 nan 0.000 0.435 407 A N -0.523 122.167 122.820 -0.216 0.000 1.948 407 A HA -0.311 4.008 4.320 -0.001 0.000 0.220 407 A C 2.194 179.590 177.584 -0.313 0.000 1.177 407 A CA 1.854 53.754 52.037 -0.227 0.000 0.636 407 A CB -0.978 17.911 19.000 -0.185 0.000 0.815 407 A HN 0.471 nan 8.150 nan 0.000 0.449 408 Y N 2.042 121.937 120.300 -0.674 0.000 2.089 408 Y HA -0.256 4.294 4.550 -0.001 0.000 0.282 408 Y C 1.890 177.486 175.900 -0.506 0.000 1.139 408 Y CA 2.505 60.187 58.100 -0.697 0.000 1.123 408 Y CB -0.120 37.675 38.460 -1.109 0.000 0.980 408 Y HN 0.543 nan 8.280 nan 0.000 0.493 409 N N -2.658 115.797 118.700 -0.407 0.000 2.236 409 N HA -0.008 4.731 4.740 -0.001 0.000 0.196 409 N C 0.283 175.443 175.510 -0.583 0.000 1.114 409 N CA 0.513 53.266 53.050 -0.494 0.000 0.859 409 N CB -0.540 37.649 38.487 -0.498 0.000 0.982 409 N HN 0.409 nan 8.380 nan 0.000 0.493 410 Y N 0.119 120.238 120.300 -0.300 0.000 2.445 410 Y HA 0.477 5.027 4.550 -0.001 0.000 0.247 410 Y C 1.498 177.271 175.900 -0.212 0.000 1.129 410 Y CA -0.505 57.452 58.100 -0.238 0.000 1.251 410 Y CB 0.724 39.036 38.460 -0.246 0.000 1.176 410 Y HN 0.065 nan 8.280 nan 0.000 0.522 411 G N -0.787 107.941 108.800 -0.121 0.000 2.521 411 G HA2 0.111 4.070 3.960 -0.001 0.000 0.323 411 G HA3 0.111 4.070 3.960 -0.001 0.000 0.323 411 G C -1.120 173.703 174.900 -0.128 0.000 1.211 411 G CA -0.544 44.488 45.100 -0.114 0.000 0.979 411 G HN -0.057 nan 8.290 nan 0.000 0.490 412 D N 0.258 120.604 120.400 -0.089 0.000 2.554 412 D HA 0.032 4.671 4.640 -0.001 0.000 0.251 412 D C -1.160 175.075 176.300 -0.108 0.000 1.213 412 D CA -1.123 52.830 54.000 -0.079 0.000 0.900 412 D CB 1.366 42.139 40.800 -0.045 0.000 1.135 412 D HN -0.095 nan 8.370 nan 0.000 0.522 413 P HA -0.111 nan 4.420 nan 0.000 0.218 413 P C 1.093 178.329 177.300 -0.108 0.000 1.149 413 P CA 1.111 64.113 63.100 -0.164 0.000 0.817 413 P CB 0.274 31.874 31.700 -0.166 0.000 0.785 414 Q N -1.525 118.235 119.800 -0.068 0.000 2.187 414 Q HA -0.041 4.299 4.340 -0.001 0.000 0.199 414 Q C 1.737 177.731 176.000 -0.010 0.000 0.957 414 Q CA 1.844 57.625 55.803 -0.037 0.000 0.857 414 Q CB -0.252 28.469 28.738 -0.029 0.000 0.929 414 Q HN 0.346 nan 8.270 nan 0.000 0.453 415 T N -4.081 110.468 114.554 -0.008 0.000 2.958 415 T HA 0.231 4.581 4.350 -0.001 0.000 0.256 415 T C 1.068 175.799 174.700 0.052 0.000 0.983 415 T CA 0.211 62.324 62.100 0.022 0.000 0.924 415 T CB 0.343 69.217 68.868 0.010 0.000 1.136 415 T HN 0.159 nan 8.240 nan 0.000 0.506 416 G N 1.749 110.558 108.800 0.015 0.000 2.393 416 G HA2 0.362 4.321 3.960 -0.001 0.000 0.268 416 G HA3 0.362 4.321 3.960 -0.001 0.000 0.268 416 G C 0.679 175.645 174.900 0.110 0.000 1.472 416 G CA -0.082 45.031 45.100 0.022 0.000 1.059 416 G HN 0.189 nan 8.290 nan 0.000 0.555 417 I N -0.252 120.345 120.570 0.046 0.000 2.716 417 I HA 0.107 4.276 4.170 -0.001 0.000 0.259 417 I C 2.689 178.746 176.117 -0.099 0.000 1.172 417 I CA 0.313 61.645 61.300 0.052 0.000 1.478 417 I CB -0.321 37.723 38.000 0.073 0.000 1.104 417 I HN 0.509 nan 8.210 nan 0.000 0.439 418 R N -0.283 120.086 120.500 -0.218 0.000 2.303 418 R HA -0.158 4.181 4.340 -0.001 0.000 0.225 418 R C 2.214 178.400 176.300 -0.190 0.000 1.114 418 R CA 1.348 57.183 56.100 -0.442 0.000 1.007 418 R CB -0.158 29.641 30.300 -0.834 0.000 0.861 418 R HN 0.312 nan 8.270 nan 0.000 0.471 419 S N 0.114 115.798 115.700 -0.026 0.000 2.406 419 S HA -0.069 4.401 4.470 -0.001 0.000 0.228 419 S C 1.070 175.795 174.600 0.208 0.000 1.020 419 S CA 0.869 59.124 58.200 0.092 0.000 0.965 419 S CB -0.062 63.236 63.200 0.165 0.000 0.798 419 S HN 0.703 nan 8.310 nan 0.000 0.488 420 W N 1.977 123.297 121.300 0.033 0.000 2.252 420 W HA 0.406 5.065 4.660 -0.001 0.000 0.338 420 W C -0.450 176.101 176.519 0.054 0.000 0.914 420 W CA 0.102 57.464 57.345 0.028 0.000 1.754 420 W CB -1.231 28.230 29.460 0.001 0.000 1.135 420 W HN 0.279 nan 8.180 nan 0.000 0.531 421 T N -1.002 113.393 114.554 -0.266 0.000 2.896 421 T HA 0.717 5.066 4.350 -0.001 0.000 0.297 421 T C -1.453 173.344 174.700 0.162 0.000 1.108 421 T CA -0.677 61.301 62.100 -0.204 0.000 1.004 421 T CB 2.911 71.594 68.868 -0.309 0.000 1.159 421 T HN 0.166 nan 8.240 nan 0.000 0.499 422 L N 2.133 123.445 121.223 0.149 0.000 2.385 422 L HA 0.638 4.977 4.340 -0.001 0.000 0.273 422 L C -1.229 175.665 176.870 0.040 0.000 0.990 422 L CA -1.443 53.510 54.840 0.189 0.000 0.821 422 L CB 1.840 43.957 42.059 0.097 0.000 1.279 422 L HN 0.796 nan 8.230 nan 0.000 0.412 423 L N 5.233 126.321 121.223 -0.225 0.000 2.385 423 L HA 0.365 4.704 4.340 -0.001 0.000 0.281 423 L C -0.774 176.012 176.870 -0.139 0.000 1.106 423 L CA 0.371 55.007 54.840 -0.340 0.000 0.856 423 L CB 0.114 41.659 42.059 -0.857 0.000 1.186 423 L HN 0.642 nan 8.230 nan 0.000 0.453 424 C N 1.689 120.965 119.300 -0.040 0.000 2.913 424 C HA 0.582 5.041 4.460 -0.001 0.000 0.322 424 C C 0.398 175.454 174.990 0.110 0.000 1.292 424 C CA -0.838 58.191 59.018 0.018 0.000 1.649 424 C CB 1.728 29.473 27.740 0.009 0.000 2.139 424 C HN 0.800 nan 8.230 nan 0.000 0.475 425 T N 3.499 118.091 114.554 0.063 0.000 2.928 425 T HA 0.104 4.453 4.350 -0.001 0.000 0.305 425 T C -1.465 173.257 174.700 0.037 0.000 1.035 425 T CA 0.088 62.228 62.100 0.067 0.000 1.145 425 T CB 0.388 69.270 68.868 0.023 0.000 0.963 425 T HN 0.567 nan 8.240 nan 0.000 0.545 426 P HA -0.151 nan 4.420 nan 0.000 0.201 426 P C 0.070 177.328 177.300 -0.070 0.000 1.046 426 P CA 1.206 64.265 63.100 -0.069 0.000 0.942 426 P CB 0.077 31.717 31.700 -0.100 0.000 0.733 427 D N -2.372 117.994 120.400 -0.056 0.000 4.874 427 D HA -0.104 4.536 4.640 -0.001 0.000 0.228 427 D C 0.549 176.811 176.300 -0.063 0.000 1.423 427 D CA 0.558 54.530 54.000 -0.047 0.000 1.130 427 D CB -0.621 40.151 40.800 -0.045 0.000 0.564 427 D HN 0.065 nan 8.370 nan 0.000 0.272 428 V N 2.472 122.360 119.914 -0.043 0.000 2.488 428 V HA -0.131 3.988 4.120 -0.001 0.000 0.246 428 V C 2.654 178.713 176.094 -0.060 0.000 1.046 428 V CA 2.638 64.903 62.300 -0.057 0.000 1.053 428 V CB -1.125 30.686 31.823 -0.020 0.000 0.679 428 V HN 0.797 nan 8.190 nan 0.000 0.458 429 T N -3.081 111.457 114.554 -0.026 0.000 2.896 429 T HA -0.319 4.030 4.350 -0.001 0.000 0.270 429 T C 1.418 176.084 174.700 -0.056 0.000 1.104 429 T CA 1.428 63.513 62.100 -0.025 0.000 1.115 429 T CB -1.321 67.552 68.868 0.008 0.000 0.843 429 T HN 1.044 nan 8.240 nan 0.000 0.523 430 C N -0.288 118.970 119.300 -0.070 0.000 4.933 430 C HA 0.098 4.557 4.460 -0.001 0.000 0.249 430 C C 1.153 176.106 174.990 -0.062 0.000 1.406 430 C CA 0.558 59.526 59.018 -0.083 0.000 1.505 430 C CB -2.047 25.639 27.740 -0.090 0.000 1.870 430 C HN 1.800 nan 8.230 nan 0.000 0.651 431 G N 0.032 108.806 108.800 -0.042 0.000 2.661 431 G HA2 0.347 4.307 3.960 -0.001 0.000 0.262 431 G HA3 0.347 4.307 3.960 -0.001 0.000 0.262 431 G C -0.482 174.414 174.900 -0.008 0.000 1.310 431 G CA 0.037 45.121 45.100 -0.026 0.000 1.160 431 G HN 0.848 nan 8.290 nan 0.000 0.598 432 S N 2.405 118.108 115.700 0.006 0.000 2.714 432 S HA 0.237 4.706 4.470 -0.001 0.000 0.318 432 S C 0.476 175.100 174.600 0.041 0.000 1.219 432 S CA 0.206 58.423 58.200 0.028 0.000 1.175 432 S CB 0.638 63.855 63.200 0.028 0.000 0.961 432 S HN 0.539 nan 8.310 nan 0.000 0.518 433 E N 2.369 122.596 120.200 0.045 0.000 2.222 433 E HA 0.395 4.745 4.350 -0.001 0.000 0.267 433 E C -0.299 176.360 176.600 0.098 0.000 0.963 433 E CA -0.835 55.598 56.400 0.055 0.000 0.837 433 E CB 1.346 31.052 29.700 0.010 0.000 1.183 433 E HN 0.586 nan 8.360 nan 0.000 0.403 434 Q N -0.373 119.513 119.800 0.143 0.000 2.248 434 Q HA 0.651 4.990 4.340 -0.001 0.000 0.263 434 Q C -0.298 175.848 176.000 0.242 0.000 1.007 434 Q CA -1.085 54.846 55.803 0.213 0.000 0.877 434 Q CB 1.462 30.367 28.738 0.278 0.000 1.315 434 Q HN 0.285 nan 8.270 nan 0.000 0.454 435 V N -2.223 117.856 119.914 0.274 0.000 2.769 435 V HA 0.634 4.753 4.120 -0.001 0.000 0.312 435 V C -1.245 175.108 176.094 0.431 0.000 1.061 435 V CA -0.943 61.490 62.300 0.222 0.000 0.931 435 V CB 1.169 33.019 31.823 0.045 0.000 1.010 435 V HN 0.814 nan 8.190 nan 0.000 0.433 436 Y N 1.187 121.486 120.300 -0.002 0.000 2.377 436 Y HA 0.578 5.128 4.550 -0.001 0.000 0.339 436 Y C -0.486 175.408 175.900 -0.009 0.000 1.011 436 Y CA -0.864 57.268 58.100 0.052 0.000 1.093 436 Y CB 2.100 40.602 38.460 0.069 0.000 1.201 436 Y HN 0.685 nan 8.280 nan 0.000 0.455 437 W N 1.207 122.557 121.300 0.083 0.000 2.390 437 W HA 0.589 5.248 4.660 -0.001 0.000 0.362 437 W C -0.710 175.777 176.519 -0.055 0.000 1.206 437 W CA -0.274 57.061 57.345 -0.017 0.000 1.355 437 W CB 1.666 31.040 29.460 -0.144 0.000 1.278 437 W HN 0.368 nan 8.180 nan 0.000 0.653 438 S N 0.739 116.566 115.700 0.213 0.000 2.563 438 S HA 0.486 4.956 4.470 -0.001 0.000 0.279 438 S C -1.157 173.400 174.600 -0.071 0.000 1.155 438 S CA -0.935 57.280 58.200 0.026 0.000 0.928 438 S CB 0.435 63.664 63.200 0.050 0.000 1.107 438 S HN 0.448 nan 8.310 nan 0.000 0.462 439 L N 1.769 122.908 121.223 -0.141 0.000 3.083 439 L HA 0.332 4.671 4.340 -0.001 0.000 0.286 439 L C -2.100 174.631 176.870 -0.232 0.000 1.307 439 L CA -1.952 52.777 54.840 -0.184 0.000 0.897 439 L CB 0.628 42.604 42.059 -0.138 0.000 1.306 439 L HN 0.398 nan 8.230 nan 0.000 0.569 440 P HA -0.278 nan 4.420 nan 0.000 0.229 440 P C 0.595 177.764 177.300 -0.219 0.000 1.152 440 P CA 1.732 64.621 63.100 -0.351 0.000 0.915 440 P CB 0.122 31.372 31.700 -0.751 0.000 0.784 441 D N -2.984 117.287 120.400 -0.214 0.000 2.340 441 D HA 0.126 4.765 4.640 -0.001 0.000 0.217 441 D C 1.461 177.695 176.300 -0.110 0.000 1.081 441 D CA 0.371 54.287 54.000 -0.139 0.000 0.842 441 D CB 0.165 40.886 40.800 -0.133 0.000 0.934 441 D HN 0.308 nan 8.370 nan 0.000 0.511 442 M N -0.727 118.804 119.600 -0.116 0.000 2.180 442 M HA 0.096 4.575 4.480 -0.001 0.000 0.289 442 M C -0.781 175.472 176.300 -0.078 0.000 1.089 442 M CA 0.219 55.462 55.300 -0.096 0.000 1.120 442 M CB 0.940 33.475 32.600 -0.108 0.000 1.864 442 M HN -0.242 nan 8.290 nan 0.000 0.636 443 M N 1.284 120.835 119.600 -0.082 0.000 2.644 443 M HA 0.444 4.924 4.480 -0.001 0.000 0.316 443 M C -0.496 175.779 176.300 -0.042 0.000 1.200 443 M CA -0.380 54.884 55.300 -0.060 0.000 0.944 443 M CB 1.217 33.770 32.600 -0.077 0.000 1.691 443 M HN 0.078 nan 8.290 nan 0.000 0.471 444 Q N 0.980 120.770 119.800 -0.017 0.000 2.354 444 Q HA 0.173 4.513 4.340 -0.001 0.000 0.244 444 Q C -0.879 175.120 176.000 -0.000 0.000 0.969 444 Q CA -0.307 55.496 55.803 -0.001 0.000 0.885 444 Q CB 0.786 29.531 28.738 0.012 0.000 1.241 444 Q HN 0.444 nan 8.270 nan 0.000 0.461 445 D N 3.544 123.959 120.400 0.025 0.000 2.338 445 D HA 0.164 4.804 4.640 -0.001 0.000 0.255 445 D C -2.230 174.137 176.300 0.113 0.000 1.237 445 D CA -1.324 52.709 54.000 0.055 0.000 0.883 445 D CB 0.232 41.089 40.800 0.095 0.000 1.087 445 D HN 0.109 nan 8.370 nan 0.000 0.485 446 P HA -0.140 nan 4.420 nan 0.000 0.259 446 P C 1.214 178.691 177.300 0.295 0.000 1.163 446 P CA -0.040 63.181 63.100 0.200 0.000 0.760 446 P CB 0.668 32.484 31.700 0.193 0.000 0.762 447 V N 2.827 122.833 119.914 0.153 0.000 2.275 447 V HA -0.428 3.691 4.120 -0.001 0.000 0.165 447 V C 1.883 178.018 176.094 0.068 0.000 0.956 447 V CA 2.962 65.316 62.300 0.089 0.000 1.690 447 V CB -2.416 29.441 31.823 0.057 0.000 1.014 447 V HN 0.799 nan 8.190 nan 0.000 0.453 448 T N -2.834 111.724 114.554 0.007 0.000 3.069 448 T HA 0.371 4.721 4.350 -0.001 0.000 0.252 448 T C 0.020 174.636 174.700 -0.140 0.000 1.053 448 T CA -0.134 61.910 62.100 -0.093 0.000 0.964 448 T CB -0.298 68.463 68.868 -0.179 0.000 1.005 448 T HN 0.234 nan 8.240 nan 0.000 0.532 449 F N 3.212 123.185 119.950 0.039 0.000 2.410 449 F HA 0.461 4.987 4.527 -0.001 0.000 0.334 449 F C 1.125 176.954 175.800 0.048 0.000 1.134 449 F CA -1.199 56.832 58.000 0.052 0.000 1.227 449 F CB 0.798 39.839 39.000 0.069 0.000 1.194 449 F HN 0.057 nan 8.300 nan 0.000 0.571 450 R N 0.078 120.716 120.500 0.229 0.000 2.664 450 R HA 0.660 5.000 4.340 -0.001 0.000 0.286 450 R C -0.958 175.444 176.300 0.170 0.000 0.967 450 R CA -0.936 55.254 56.100 0.150 0.000 0.933 450 R CB 1.270 31.625 30.300 0.092 0.000 1.146 450 R HN 0.640 nan 8.270 nan 0.000 0.468 451 S N 1.031 116.810 115.700 0.132 0.000 2.548 451 S HA 0.262 4.731 4.470 -0.001 0.000 0.277 451 S C 0.028 174.707 174.600 0.131 0.000 1.315 451 S CA -0.386 57.895 58.200 0.134 0.000 1.050 451 S CB 1.481 64.738 63.200 0.095 0.000 0.918 451 S HN 0.772 nan 8.310 nan 0.000 0.497 452 T N 0.093 114.753 114.554 0.176 0.000 2.647 452 T HA 0.593 4.942 4.350 -0.001 0.000 0.295 452 T C 0.153 174.978 174.700 0.209 0.000 1.126 452 T CA -0.034 62.149 62.100 0.138 0.000 1.040 452 T CB 0.902 69.817 68.868 0.078 0.000 1.472 452 T HN 0.892 nan 8.240 nan 0.000 0.500 453 S N -0.045 115.723 115.700 0.114 0.000 2.819 453 S HA 0.267 4.736 4.470 -0.001 0.000 0.249 453 S C 0.307 174.855 174.600 -0.087 0.000 1.030 453 S CA -0.381 57.910 58.200 0.150 0.000 1.052 453 S CB -0.072 63.195 63.200 0.111 0.000 1.017 453 S HN 0.683 nan 8.310 nan 0.000 0.576 454 Q N 2.204 121.861 119.800 -0.239 0.000 2.490 454 Q HA 0.270 4.610 4.340 -0.001 0.000 0.226 454 Q C 0.925 176.496 176.000 -0.715 0.000 1.132 454 Q CA -0.523 55.085 55.803 -0.325 0.000 0.928 454 Q CB -0.043 28.590 28.738 -0.176 0.000 1.299 454 Q HN 0.451 nan 8.270 nan 0.000 0.528 455 I N 1.336 121.415 120.570 -0.818 0.000 2.292 455 I HA -0.388 3.781 4.170 -0.001 0.000 0.255 455 I C 1.446 177.213 176.117 -0.583 0.000 1.078 455 I CA 1.998 62.746 61.300 -0.920 0.000 1.365 455 I CB -1.359 36.489 38.000 -0.252 0.000 1.049 455 I HN 0.520 nan 8.210 nan 0.000 0.439 456 S N -0.835 114.654 115.700 -0.350 0.000 2.685 456 S HA 0.230 4.699 4.470 -0.001 0.000 0.240 456 S C 0.860 175.378 174.600 -0.135 0.000 0.967 456 S CA 0.053 58.146 58.200 -0.178 0.000 1.009 456 S CB -1.085 62.052 63.200 -0.105 0.000 0.776 456 S HN 0.777 nan 8.310 nan 0.000 0.467 457 N N -0.545 118.037 118.700 -0.197 0.000 1.958 457 N HA 0.210 4.949 4.740 -0.001 0.000 0.223 457 N C -0.964 174.589 175.510 0.071 0.000 1.395 457 N CA -0.255 52.776 53.050 -0.031 0.000 0.737 457 N CB 0.296 38.768 38.487 -0.026 0.000 1.155 457 N HN 0.148 nan 8.380 nan 0.000 0.529 458 F N 2.297 122.274 119.950 0.044 0.000 2.657 458 F HA 0.118 4.645 4.527 -0.001 0.000 0.347 458 F C -1.664 174.124 175.800 -0.021 0.000 1.180 458 F CA -0.906 57.103 58.000 0.015 0.000 1.383 458 F CB -0.301 38.693 39.000 -0.010 0.000 1.077 458 F HN 0.006 nan 8.300 nan 0.000 0.622 459 P HA 0.185 nan 4.420 nan 0.000 0.274 459 P C -0.970 176.093 177.300 -0.394 0.000 1.231 459 P CA -0.191 62.749 63.100 -0.266 0.000 0.790 459 P CB 0.729 32.339 31.700 -0.150 0.000 0.951 460 V N 2.499 121.885 119.914 -0.881 0.000 2.532 460 V HA 0.218 4.337 4.120 -0.001 0.000 0.295 460 V C 1.202 177.092 176.094 -0.341 0.000 1.041 460 V CA -0.120 61.936 62.300 -0.406 0.000 0.926 460 V CB 1.629 33.305 31.823 -0.245 0.000 0.992 460 V HN 0.494 nan 8.190 nan 0.000 0.457 461 V N 0.116 119.933 119.914 -0.161 0.000 3.485 461 V HA 0.736 4.855 4.120 -0.001 0.000 0.280 461 V C 0.516 176.511 176.094 -0.165 0.000 1.495 461 V CA 0.576 62.784 62.300 -0.154 0.000 1.018 461 V CB 0.367 32.097 31.823 -0.155 0.000 0.818 461 V HN 0.999 nan 8.190 nan 0.000 0.436 462 G N -0.277 108.438 108.800 -0.142 0.000 2.755 462 G HA2 0.757 4.716 3.960 -0.001 0.000 0.297 462 G HA3 0.757 4.716 3.960 -0.001 0.000 0.297 462 G C -1.178 173.768 174.900 0.077 0.000 1.441 462 G CA 0.021 45.008 45.100 -0.188 0.000 0.964 462 G HN 0.821 nan 8.290 nan 0.000 0.540 463 A N 0.976 123.886 122.820 0.150 0.000 2.356 463 A HA 0.987 5.307 4.320 -0.001 0.000 0.323 463 A C -0.360 177.411 177.584 0.313 0.000 1.119 463 A CA -0.586 51.527 52.037 0.127 0.000 0.790 463 A CB 2.031 20.956 19.000 -0.126 0.000 1.273 463 A HN 1.117 nan 8.150 nan 0.000 0.452 464 E N 1.457 121.845 120.200 0.313 0.000 2.378 464 E HA 0.398 4.747 4.350 -0.001 0.000 0.283 464 E C -1.951 174.792 176.600 0.238 0.000 0.979 464 E CA -0.758 55.824 56.400 0.303 0.000 0.795 464 E CB 1.161 31.141 29.700 0.466 0.000 1.221 464 E HN 0.573 nan 8.360 nan 0.000 0.428 465 L N 3.304 124.641 121.223 0.189 0.000 2.456 465 L HA 0.184 4.523 4.340 -0.001 0.000 0.272 465 L C -0.379 176.593 176.870 0.171 0.000 1.189 465 L CA -0.175 54.764 54.840 0.165 0.000 0.846 465 L CB 0.729 42.872 42.059 0.140 0.000 1.111 465 L HN 0.619 nan 8.230 nan 0.000 0.475 466 L N 8.214 129.525 121.223 0.147 0.000 2.456 466 L HA 0.300 4.639 4.340 -0.001 0.000 0.277 466 L C -1.914 175.043 176.870 0.146 0.000 1.124 466 L CA -1.508 53.412 54.840 0.134 0.000 0.880 466 L CB -0.221 41.901 42.059 0.106 0.000 1.192 466 L HN 0.503 nan 8.230 nan 0.000 0.463 467 P HA -0.080 nan 4.420 nan 0.000 0.148 467 P C -1.331 176.047 177.300 0.129 0.000 0.993 467 P CA 0.613 63.799 63.100 0.143 0.000 1.195 467 P CB -0.409 31.382 31.700 0.153 0.000 1.599 468 V N 1.598 121.633 119.914 0.201 0.000 2.711 468 V HA 0.334 4.453 4.120 -0.001 0.000 0.304 468 V C -0.137 176.186 176.094 0.383 0.000 1.097 468 V CA -0.728 61.691 62.300 0.198 0.000 0.906 468 V CB 1.939 33.840 31.823 0.131 0.000 1.015 468 V HN 0.344 nan 8.190 nan 0.000 0.427 469 H N 1.117 120.225 119.070 0.063 0.000 2.797 469 H HA 0.577 5.132 4.556 -0.001 0.000 0.362 469 H C -0.664 174.691 175.328 0.045 0.000 1.183 469 H CA -0.968 55.107 56.048 0.045 0.000 1.197 469 H CB 2.316 32.101 29.762 0.038 0.000 1.835 469 H HN 0.561 nan 8.280 nan 0.000 0.567 470 S N 1.970 117.741 115.700 0.119 0.000 2.488 470 S HA 0.109 4.578 4.470 -0.001 0.000 0.310 470 S C 0.006 174.635 174.600 0.048 0.000 1.093 470 S CA -0.660 57.583 58.200 0.073 0.000 1.129 470 S CB 0.265 63.477 63.200 0.020 0.000 0.989 470 S HN 0.268 nan 8.310 nan 0.000 0.479 471 K N 2.101 122.543 120.400 0.070 0.000 2.249 471 K HA 0.376 4.695 4.320 -0.001 0.000 0.280 471 K C -0.275 176.251 176.600 -0.124 0.000 1.033 471 K CA -0.071 56.178 56.287 -0.063 0.000 0.946 471 K CB 1.104 33.591 32.500 -0.022 0.000 1.005 471 K HN 0.437 nan 8.250 nan 0.000 0.469 472 S N 3.088 118.591 115.700 -0.328 0.000 2.482 472 S HA 0.635 5.104 4.470 -0.001 0.000 0.303 472 S C -0.847 173.489 174.600 -0.441 0.000 1.091 472 S CA -0.610 57.467 58.200 -0.206 0.000 1.057 472 S CB 0.572 63.718 63.200 -0.091 0.000 1.031 472 S HN 0.353 nan 8.310 nan 0.000 0.485 473 F N 0.951 120.924 119.950 0.038 0.000 2.654 473 F HA 0.555 5.081 4.527 -0.001 0.000 0.334 473 F C -0.688 175.173 175.800 0.101 0.000 1.078 473 F CA -1.077 56.960 58.000 0.062 0.000 0.986 473 F CB 0.932 39.953 39.000 0.035 0.000 1.362 473 F HN 0.496 nan 8.300 nan 0.000 0.498 474 Y N 2.260 122.686 120.300 0.210 0.000 2.331 474 Y HA 0.403 4.953 4.550 -0.001 0.000 0.334 474 Y C -0.739 175.211 175.900 0.082 0.000 0.960 474 Y CA -1.153 57.007 58.100 0.100 0.000 1.130 474 Y CB 0.996 39.489 38.460 0.055 0.000 1.164 474 Y HN 0.534 nan 8.280 nan 0.000 0.458 475 N N 3.687 122.158 118.700 -0.382 0.000 2.750 475 N HA 0.099 4.839 4.740 -0.001 0.000 0.253 475 N C -0.545 174.756 175.510 -0.349 0.000 1.408 475 N CA -0.432 52.489 53.050 -0.215 0.000 0.780 475 N CB 0.581 38.996 38.487 -0.119 0.000 1.191 475 N HN 0.627 nan 8.380 nan 0.000 0.511 476 D N 0.571 120.752 120.400 -0.364 0.000 2.384 476 D HA -0.098 4.541 4.640 -0.001 0.000 0.222 476 D C 1.104 177.366 176.300 -0.064 0.000 0.976 476 D CA 0.783 54.663 54.000 -0.201 0.000 0.915 476 D CB 0.415 41.286 40.800 0.118 0.000 0.896 476 D HN 0.415 nan 8.370 nan 0.000 0.523 477 Q N -0.073 119.704 119.800 -0.038 0.000 2.500 477 Q HA 0.041 4.380 4.340 -0.001 0.000 0.213 477 Q C 0.547 176.582 176.000 0.058 0.000 0.974 477 Q CA 0.147 55.977 55.803 0.044 0.000 0.918 477 Q CB -0.251 28.511 28.738 0.040 0.000 0.980 477 Q HN 0.188 nan 8.270 nan 0.000 0.505 478 A N 0.127 122.935 122.820 -0.019 0.000 2.440 478 A HA 0.295 4.614 4.320 -0.001 0.000 0.251 478 A C 1.221 178.826 177.584 0.034 0.000 1.089 478 A CA 0.081 52.105 52.037 -0.020 0.000 0.779 478 A CB 0.511 19.461 19.000 -0.082 0.000 1.022 478 A HN 0.136 nan 8.150 nan 0.000 0.492 479 V N 0.457 120.393 119.914 0.037 0.000 2.070 479 V HA -0.334 3.786 4.120 -0.001 0.000 0.100 479 V C 1.032 177.190 176.094 0.107 0.000 0.533 479 V CA 2.598 64.930 62.300 0.054 0.000 1.406 479 V CB -2.708 29.143 31.823 0.047 0.000 1.610 479 V HN 1.169 nan 8.190 nan 0.000 0.921 480 Y N -0.606 119.701 120.300 0.013 0.000 2.498 480 Y HA 0.314 4.863 4.550 -0.001 0.000 0.259 480 Y C 2.102 178.024 175.900 0.037 0.000 1.086 480 Y CA 1.558 59.675 58.100 0.029 0.000 1.287 480 Y CB 0.863 39.335 38.460 0.021 0.000 1.146 480 Y HN 0.186 nan 8.280 nan 0.000 0.523 481 S N -0.167 115.622 115.700 0.148 0.000 2.387 481 S HA -0.146 4.323 4.470 -0.001 0.000 0.221 481 S C 2.053 176.675 174.600 0.037 0.000 1.041 481 S CA 1.090 59.341 58.200 0.086 0.000 0.959 481 S CB -0.424 62.815 63.200 0.065 0.000 0.843 481 S HN 0.701 nan 8.310 nan 0.000 0.488 482 Q N 0.358 120.170 119.800 0.022 0.000 2.133 482 Q HA -0.206 4.133 4.340 -0.001 0.000 0.208 482 Q C 2.124 178.138 176.000 0.024 0.000 0.991 482 Q CA 1.974 57.781 55.803 0.007 0.000 0.867 482 Q CB -0.504 28.234 28.738 0.001 0.000 0.911 482 Q HN 0.527 nan 8.270 nan 0.000 0.417 483 L N 0.496 121.733 121.223 0.023 0.000 2.012 483 L HA -0.130 4.210 4.340 -0.001 0.000 0.210 483 L C 2.191 179.171 176.870 0.184 0.000 1.073 483 L CA 1.785 56.657 54.840 0.053 0.000 0.748 483 L CB -0.211 41.795 42.059 -0.087 0.000 0.891 483 L HN 0.382 nan 8.230 nan 0.000 0.431 484 I N -1.632 118.992 120.570 0.089 0.000 2.703 484 I HA -0.097 4.073 4.170 -0.001 0.000 0.259 484 I C 2.552 178.776 176.117 0.178 0.000 1.151 484 I CA 0.362 61.765 61.300 0.171 0.000 1.470 484 I CB -0.296 37.727 38.000 0.039 0.000 1.112 484 I HN 0.221 nan 8.210 nan 0.000 0.437 485 R N 1.296 121.846 120.500 0.084 0.000 2.105 485 R HA -0.229 4.111 4.340 -0.001 0.000 0.239 485 R C 2.166 178.468 176.300 0.003 0.000 1.135 485 R CA 1.733 57.856 56.100 0.038 0.000 0.967 485 R CB -0.117 30.184 30.300 0.003 0.000 0.861 485 R HN 0.429 nan 8.270 nan 0.000 0.442 486 Q N -0.950 118.820 119.800 -0.050 0.000 2.170 486 Q HA -0.170 4.170 4.340 -0.001 0.000 0.203 486 Q C 1.713 177.465 176.000 -0.414 0.000 0.976 486 Q CA 1.673 57.319 55.803 -0.262 0.000 0.858 486 Q CB -0.017 28.520 28.738 -0.335 0.000 0.907 486 Q HN 0.375 nan 8.270 nan 0.000 0.433 487 F N -0.740 119.154 119.950 -0.094 0.000 2.335 487 F HA -0.047 4.479 4.527 -0.001 0.000 0.296 487 F C 2.448 178.211 175.800 -0.062 0.000 1.091 487 F CA 0.854 58.807 58.000 -0.077 0.000 1.399 487 F CB -0.344 38.634 39.000 -0.037 0.000 1.067 487 F HN -0.058 nan 8.300 nan 0.000 0.520 488 T N -0.349 114.284 114.554 0.131 0.000 2.708 488 T HA -0.135 4.215 4.350 -0.001 0.000 0.266 488 T C 1.070 175.783 174.700 0.020 0.000 1.037 488 T CA 1.417 63.557 62.100 0.066 0.000 1.146 488 T CB -0.589 68.311 68.868 0.052 0.000 0.865 488 T HN 0.226 nan 8.240 nan 0.000 0.435 489 S N 1.963 117.655 115.700 -0.013 0.000 2.474 489 S HA 0.339 4.808 4.470 -0.001 0.000 0.276 489 S C 0.951 175.500 174.600 -0.085 0.000 1.227 489 S CA -0.563 57.620 58.200 -0.029 0.000 1.050 489 S CB 0.393 63.588 63.200 -0.008 0.000 0.939 489 S HN 0.318 nan 8.310 nan 0.000 0.490 490 L N 2.378 123.567 121.223 -0.056 0.000 2.642 490 L HA 0.026 4.365 4.340 -0.001 0.000 0.236 490 L C 0.478 177.272 176.870 -0.126 0.000 1.169 490 L CA 0.403 55.202 54.840 -0.069 0.000 0.851 490 L CB -1.209 40.836 42.059 -0.023 0.000 0.968 490 L HN 0.701 nan 8.230 nan 0.000 0.453 491 T N -3.181 111.269 114.554 -0.174 0.000 2.909 491 T HA 0.302 4.651 4.350 -0.001 0.000 0.299 491 T C -0.359 174.179 174.700 -0.270 0.000 1.073 491 T CA -0.580 61.410 62.100 -0.185 0.000 0.999 491 T CB 1.515 70.331 68.868 -0.087 0.000 1.098 491 T HN -0.006 nan 8.240 nan 0.000 0.477 492 H N 0.750 119.771 119.070 -0.083 0.000 2.727 492 H HA 0.295 4.850 4.556 -0.001 0.000 0.312 492 H C 1.595 176.862 175.328 -0.102 0.000 1.204 492 H CA -0.310 55.691 56.048 -0.078 0.000 1.122 492 H CB -0.634 29.081 29.762 -0.079 0.000 1.453 492 H HN 0.276 nan 8.280 nan 0.000 0.514 493 V N -0.491 119.358 119.914 -0.110 0.000 2.380 493 V HA -0.300 3.820 4.120 -0.001 0.000 0.251 493 V C 1.497 177.332 176.094 -0.431 0.000 1.063 493 V CA 1.858 63.968 62.300 -0.316 0.000 1.055 493 V CB -0.497 30.987 31.823 -0.566 0.000 0.657 493 V HN 0.515 nan 8.190 nan 0.000 0.455 494 F N -0.390 119.524 119.950 -0.060 0.000 2.569 494 F HA 0.141 4.667 4.527 -0.001 0.000 0.295 494 F C 1.927 177.648 175.800 -0.131 0.000 1.115 494 F CA 0.847 58.792 58.000 -0.092 0.000 1.450 494 F CB -0.215 38.741 39.000 -0.074 0.000 1.107 494 F HN 0.160 nan 8.300 nan 0.000 0.563 495 N N 0.391 119.129 118.700 0.063 0.000 2.276 495 N HA 0.045 4.784 4.740 -0.001 0.000 0.212 495 N C 1.233 176.708 175.510 -0.058 0.000 1.127 495 N CA -0.011 53.043 53.050 0.006 0.000 0.834 495 N CB -0.157 38.379 38.487 0.080 0.000 1.014 495 N HN 0.007 nan 8.380 nan 0.000 0.491 496 R N -0.394 120.020 120.500 -0.143 0.000 2.338 496 R HA -0.222 4.117 4.340 -0.001 0.000 0.272 496 R C 0.049 176.562 176.300 0.355 0.000 1.180 496 R CA 1.470 57.546 56.100 -0.041 0.000 1.020 496 R CB -0.573 29.603 30.300 -0.207 0.000 0.885 496 R HN 0.394 nan 8.270 nan 0.000 0.488 497 F N 0.648 120.608 119.950 0.016 0.000 2.798 497 F HA 0.252 4.778 4.527 -0.001 0.000 0.333 497 F C -1.462 174.356 175.800 0.030 0.000 1.324 497 F CA -2.280 55.731 58.000 0.019 0.000 1.183 497 F CB 0.893 39.907 39.000 0.023 0.000 1.132 497 F HN -0.144 nan 8.300 nan 0.000 0.521 498 P HA -0.138 nan 4.420 nan 0.000 0.261 498 P C -0.046 177.318 177.300 0.106 0.000 1.277 498 P CA 1.255 64.412 63.100 0.094 0.000 0.748 498 P CB 0.153 31.860 31.700 0.012 0.000 1.062 499 E N -1.270 119.018 120.200 0.147 0.000 2.520 499 E HA 0.046 4.395 4.350 -0.001 0.000 0.201 499 E C 0.857 177.583 176.600 0.210 0.000 0.894 499 E CA -0.255 56.231 56.400 0.143 0.000 1.161 499 E CB -0.860 28.907 29.700 0.112 0.000 1.137 499 E HN 0.041 nan 8.360 nan 0.000 0.510 500 N N 2.578 121.426 118.700 0.247 0.000 2.374 500 N HA -0.106 4.633 4.740 -0.001 0.000 0.269 500 N C 0.496 176.150 175.510 0.240 0.000 1.310 500 N CA 0.245 53.480 53.050 0.308 0.000 0.877 500 N CB 0.641 39.288 38.487 0.267 0.000 1.096 500 N HN 0.089 nan 8.380 nan 0.000 0.484 501 Q N 2.842 122.802 119.800 0.267 0.000 2.368 501 Q HA -0.105 4.234 4.340 -0.001 0.000 0.210 501 Q C 1.094 177.270 176.000 0.293 0.000 0.982 501 Q CA 1.047 57.030 55.803 0.299 0.000 0.884 501 Q CB 0.170 29.149 28.738 0.402 0.000 0.933 501 Q HN 0.666 nan 8.270 nan 0.000 0.460 502 I N -0.539 120.078 120.570 0.077 0.000 3.284 502 I HA -0.146 4.023 4.170 -0.001 0.000 0.231 502 I C 1.909 178.036 176.117 0.016 0.000 1.041 502 I CA 0.485 61.762 61.300 -0.037 0.000 1.478 502 I CB -0.844 36.982 38.000 -0.289 0.000 1.340 502 I HN 0.020 nan 8.210 nan 0.000 0.449 503 L N 1.168 122.411 121.223 0.033 0.000 2.683 503 L HA -0.179 4.161 4.340 -0.001 0.000 0.236 503 L C 1.328 178.261 176.870 0.105 0.000 1.179 503 L CA 0.120 55.036 54.840 0.127 0.000 0.822 503 L CB -1.463 40.864 42.059 0.448 0.000 0.952 503 L HN 0.277 nan 8.230 nan 0.000 0.455 504 A N 0.745 123.637 122.820 0.121 0.000 2.407 504 A HA 0.083 4.402 4.320 -0.001 0.000 0.257 504 A C 0.833 178.440 177.584 0.038 0.000 1.131 504 A CA -0.084 52.011 52.037 0.096 0.000 0.803 504 A CB 0.040 19.113 19.000 0.122 0.000 1.083 504 A HN 0.357 nan 8.150 nan 0.000 0.512 505 R N 0.439 120.957 120.500 0.030 0.000 2.216 505 R HA 0.322 4.661 4.340 -0.001 0.000 0.332 505 R C -2.605 173.700 176.300 0.009 0.000 1.056 505 R CA -1.554 54.554 56.100 0.014 0.000 0.901 505 R CB 0.121 30.435 30.300 0.024 0.000 1.039 505 R HN 0.395 nan 8.270 nan 0.000 0.456 506 P HA -0.027 nan 4.420 nan 0.000 0.266 506 P C -2.493 174.787 177.300 -0.033 0.000 1.186 506 P CA -0.547 62.543 63.100 -0.017 0.000 0.767 506 P CB 0.136 31.826 31.700 -0.017 0.000 0.820 507 P HA 0.135 nan 4.420 nan 0.000 0.271 507 P C -0.752 176.521 177.300 -0.044 0.000 1.218 507 P CA -0.001 63.081 63.100 -0.030 0.000 0.780 507 P CB 0.446 32.132 31.700 -0.023 0.000 0.901 508 A N 4.890 127.683 122.820 -0.045 0.000 2.409 508 A HA 0.477 4.796 4.320 -0.001 0.000 0.262 508 A C -2.080 175.467 177.584 -0.063 0.000 1.113 508 A CA -1.337 50.660 52.037 -0.066 0.000 0.790 508 A CB -0.590 18.369 19.000 -0.068 0.000 1.046 508 A HN 0.407 nan 8.150 nan 0.000 0.496 509 P HA 0.249 nan 4.420 nan 0.000 0.282 509 P C -0.108 177.123 177.300 -0.116 0.000 1.249 509 P CA -0.118 62.936 63.100 -0.077 0.000 0.806 509 P CB 0.949 32.604 31.700 -0.075 0.000 0.984 510 T N -0.286 114.178 114.554 -0.151 0.000 2.919 510 T HA 0.353 4.702 4.350 -0.001 0.000 0.302 510 T C 0.521 175.111 174.700 -0.184 0.000 1.031 510 T CA -0.306 61.620 62.100 -0.289 0.000 1.127 510 T CB -0.483 68.162 68.868 -0.372 0.000 0.952 510 T HN 0.327 nan 8.240 nan 0.000 0.540 511 I N 0.974 121.441 120.570 -0.172 0.000 6.568 511 I HA -0.158 4.011 4.170 -0.001 0.000 0.126 511 I C 0.765 176.886 176.117 0.008 0.000 1.827 511 I CA 0.579 61.875 61.300 -0.007 0.000 2.037 511 I CB -2.205 35.811 38.000 0.028 0.000 3.509 511 I HN 1.126 nan 8.210 nan 0.000 0.169 512 T N 0.796 115.379 114.554 0.049 0.000 2.918 512 T HA 0.858 5.207 4.350 -0.001 0.000 0.283 512 T C 0.335 175.117 174.700 0.136 0.000 1.001 512 T CA -0.608 61.520 62.100 0.047 0.000 1.041 512 T CB 1.891 70.766 68.868 0.012 0.000 1.028 512 T HN 0.422 nan 8.240 nan 0.000 0.511 513 T N 0.890 115.500 114.554 0.092 0.000 2.912 513 T HA 0.674 5.023 4.350 -0.001 0.000 0.288 513 T C -0.854 173.929 174.700 0.139 0.000 1.030 513 T CA -0.702 61.471 62.100 0.121 0.000 1.020 513 T CB 1.617 70.513 68.868 0.046 0.000 1.056 513 T HN 0.614 nan 8.240 nan 0.000 0.480 514 V N 2.179 122.208 119.914 0.193 0.000 2.711 514 V HA 0.419 4.538 4.120 -0.001 0.000 0.304 514 V C 0.070 176.287 176.094 0.205 0.000 1.097 514 V CA -1.168 61.251 62.300 0.198 0.000 0.906 514 V CB 2.181 34.124 31.823 0.199 0.000 1.015 514 V HN 1.118 nan 8.190 nan 0.000 0.427 515 S N 3.320 119.162 115.700 0.237 0.000 2.549 515 S HA 0.445 4.914 4.470 -0.001 0.000 0.283 515 S C -0.369 174.361 174.600 0.216 0.000 1.320 515 S CA -0.151 58.178 58.200 0.217 0.000 1.058 515 S CB 1.040 64.366 63.200 0.210 0.000 0.882 515 S HN 0.883 nan 8.310 nan 0.000 0.498 516 E N 2.316 122.613 120.200 0.162 0.000 2.275 516 E HA 0.238 4.587 4.350 -0.001 0.000 0.270 516 E C -1.086 175.570 176.600 0.094 0.000 0.882 516 E CA -0.711 55.754 56.400 0.109 0.000 0.758 516 E CB 1.071 30.838 29.700 0.110 0.000 1.195 516 E HN 0.764 nan 8.360 nan 0.000 0.419 517 N N 2.312 121.060 118.700 0.080 0.000 2.529 517 N HA 0.278 5.017 4.740 -0.001 0.000 0.278 517 N C -1.283 174.295 175.510 0.112 0.000 1.146 517 N CA -0.003 53.103 53.050 0.094 0.000 0.980 517 N CB 1.897 40.432 38.487 0.081 0.000 1.124 517 N HN 0.253 nan 8.380 nan 0.000 0.458 518 V N 4.253 124.225 119.914 0.097 0.000 2.808 518 V HA 0.435 4.555 4.120 -0.001 0.000 0.308 518 V C -2.370 173.781 176.094 0.096 0.000 1.099 518 V CA -1.900 60.422 62.300 0.036 0.000 0.920 518 V CB 2.560 34.273 31.823 -0.183 0.000 1.014 518 V HN 0.546 nan 8.190 nan 0.000 0.425 519 P HA 0.290 nan 4.420 nan 0.000 0.268 519 P C -0.957 176.346 177.300 0.005 0.000 1.205 519 P CA -0.090 62.963 63.100 -0.078 0.000 0.771 519 P CB 1.319 32.826 31.700 -0.322 0.000 0.858 520 A N 4.604 127.471 122.820 0.079 0.000 2.323 520 A HA 0.417 4.736 4.320 -0.001 0.000 0.305 520 A C 0.042 177.679 177.584 0.089 0.000 1.275 520 A CA -0.751 51.337 52.037 0.085 0.000 0.804 520 A CB 0.170 19.251 19.000 0.135 0.000 1.152 520 A HN 0.526 nan 8.150 nan 0.000 0.487 521 L N 3.297 124.546 121.223 0.045 0.000 2.387 521 L HA 0.185 4.525 4.340 -0.001 0.000 0.267 521 L C 1.016 177.890 176.870 0.007 0.000 1.197 521 L CA -0.052 54.805 54.840 0.027 0.000 1.070 521 L CB 0.231 42.294 42.059 0.007 0.000 1.349 521 L HN 0.796 nan 8.230 nan 0.000 0.422 522 T N 0.730 115.288 114.554 0.007 0.000 2.824 522 T HA 0.183 4.532 4.350 -0.001 0.000 0.277 522 T C -0.606 173.976 174.700 -0.196 0.000 0.975 522 T CA -0.414 61.636 62.100 -0.083 0.000 0.966 522 T CB 1.125 69.955 68.868 -0.063 0.000 1.054 522 T HN 0.510 nan 8.240 nan 0.000 0.533 523 D N 0.817 121.010 120.400 -0.344 0.000 2.613 523 D HA 0.179 4.818 4.640 -0.001 0.000 0.230 523 D C -0.842 175.205 176.300 -0.422 0.000 1.365 523 D CA -0.411 53.402 54.000 -0.313 0.000 0.976 523 D CB 0.685 41.396 40.800 -0.148 0.000 1.415 523 D HN 0.600 nan 8.370 nan 0.000 0.589 524 H N 1.058 120.068 119.070 -0.100 0.000 2.505 524 H HA 0.504 5.060 4.556 -0.001 0.000 0.358 524 H C 0.963 176.248 175.328 -0.072 0.000 1.304 524 H CA -0.339 55.654 56.048 -0.091 0.000 1.393 524 H CB 1.092 30.765 29.762 -0.148 0.000 1.591 524 H HN 0.439 nan 8.280 nan 0.000 0.595 525 G N -0.351 108.488 108.800 0.065 0.000 2.535 525 G HA2 0.213 4.172 3.960 -0.001 0.000 0.282 525 G HA3 0.213 4.172 3.960 -0.001 0.000 0.282 525 G C -0.321 174.587 174.900 0.012 0.000 1.350 525 G CA -0.504 44.608 45.100 0.020 0.000 1.039 525 G HN 0.623 nan 8.290 nan 0.000 0.509 526 T N -0.942 113.615 114.554 0.005 0.000 2.901 526 T HA 0.519 4.868 4.350 -0.001 0.000 0.301 526 T C 0.019 174.722 174.700 0.005 0.000 1.012 526 T CA -0.196 61.907 62.100 0.005 0.000 1.135 526 T CB 0.660 69.533 68.868 0.009 0.000 0.936 526 T HN 0.283 nan 8.240 nan 0.000 0.539 527 L N 3.450 124.673 121.223 0.000 0.000 2.354 527 L HA 0.527 4.866 4.340 -0.001 0.000 0.264 527 L C -2.484 174.393 176.870 0.012 0.000 1.008 527 L CA -3.051 51.787 54.840 -0.004 0.000 0.819 527 L CB 2.459 44.499 42.059 -0.032 0.000 1.339 527 L HN 0.403 nan 8.230 nan 0.000 0.420 528 P HA 0.231 nan 4.420 nan 0.000 0.269 528 P C -1.030 176.293 177.300 0.039 0.000 1.209 528 P CA 0.036 63.160 63.100 0.040 0.000 0.776 528 P CB 0.607 32.318 31.700 0.019 0.000 0.876 529 L N 2.093 123.365 121.223 0.081 0.000 2.286 529 L HA 0.559 4.898 4.340 -0.001 0.000 0.265 529 L C 0.815 177.721 176.870 0.060 0.000 1.012 529 L CA -1.153 53.716 54.840 0.048 0.000 0.818 529 L CB 1.430 43.515 42.059 0.043 0.000 1.337 529 L HN 0.208 nan 8.230 nan 0.000 0.438 530 R N 0.463 120.970 120.500 0.012 0.000 2.459 530 R HA 0.210 4.549 4.340 -0.001 0.000 0.281 530 R C -0.100 176.197 176.300 -0.004 0.000 1.050 530 R CA -0.601 55.510 56.100 0.018 0.000 1.055 530 R CB 0.588 30.883 30.300 -0.009 0.000 1.045 530 R HN 0.493 nan 8.270 nan 0.000 0.495 531 N N -0.101 118.613 118.700 0.025 0.000 2.515 531 N HA -0.065 4.675 4.740 -0.001 0.000 0.191 531 N C -0.655 174.810 175.510 -0.075 0.000 1.182 531 N CA 0.285 53.319 53.050 -0.026 0.000 0.879 531 N CB 0.387 38.911 38.487 0.062 0.000 0.984 531 N HN 0.447 nan 8.380 nan 0.000 0.453 532 S N -0.243 115.422 115.700 -0.058 0.000 2.620 532 S HA 0.418 4.888 4.470 -0.001 0.000 0.244 532 S C -0.570 173.994 174.600 -0.060 0.000 1.192 532 S CA -0.842 57.324 58.200 -0.057 0.000 1.148 532 S CB 0.181 63.363 63.200 -0.030 0.000 1.106 532 S HN 0.035 nan 8.310 nan 0.000 0.474 533 I N 3.156 123.678 120.570 -0.080 0.000 2.337 533 I HA 0.390 4.559 4.170 -0.001 0.000 0.291 533 I C 1.295 177.377 176.117 -0.059 0.000 1.046 533 I CA -0.394 60.859 61.300 -0.078 0.000 1.324 533 I CB 0.730 38.667 38.000 -0.105 0.000 1.409 533 I HN 0.843 nan 8.210 nan 0.000 0.494 534 G N 3.928 112.696 108.800 -0.053 0.000 2.554 534 G HA2 0.177 4.137 3.960 -0.001 0.000 0.238 534 G HA3 0.177 4.137 3.960 -0.001 0.000 0.238 534 G C 1.091 175.968 174.900 -0.040 0.000 1.259 534 G CA -0.001 45.075 45.100 -0.041 0.000 0.843 534 G HN 0.884 nan 8.290 nan 0.000 0.582 535 G N -0.333 108.451 108.800 -0.027 0.000 2.422 535 G HA2 0.080 4.039 3.960 -0.001 0.000 0.218 535 G HA3 0.080 4.039 3.960 -0.001 0.000 0.218 535 G C 0.800 175.686 174.900 -0.024 0.000 1.146 535 G CA 1.487 46.574 45.100 -0.022 0.000 0.769 535 G HN 1.428 nan 8.290 nan 0.000 0.547 536 V N -2.247 117.653 119.914 -0.024 0.000 2.409 536 V HA 0.662 4.781 4.120 -0.001 0.000 0.291 536 V C -1.037 175.028 176.094 -0.050 0.000 1.020 536 V CA -1.275 61.011 62.300 -0.024 0.000 0.848 536 V CB 1.770 33.588 31.823 -0.008 0.000 0.990 536 V HN 0.035 nan 8.190 nan 0.000 0.430 537 Q N 3.117 122.877 119.800 -0.068 0.000 2.257 537 Q HA 0.564 4.903 4.340 -0.001 0.000 0.262 537 Q C -0.701 175.206 176.000 -0.156 0.000 0.997 537 Q CA -0.580 55.156 55.803 -0.112 0.000 0.873 537 Q CB 2.795 31.464 28.738 -0.115 0.000 1.312 537 Q HN 0.931 nan 8.270 nan 0.000 0.450 538 R N 0.651 121.027 120.500 -0.206 0.000 2.387 538 R HA 0.548 4.887 4.340 -0.001 0.000 0.314 538 R C -1.195 174.899 176.300 -0.343 0.000 0.958 538 R CA -0.349 55.594 56.100 -0.262 0.000 0.846 538 R CB 0.954 31.115 30.300 -0.231 0.000 1.147 538 R HN 0.335 nan 8.270 nan 0.000 0.447 539 V N 3.440 123.049 119.914 -0.509 0.000 2.547 539 V HA 0.525 4.644 4.120 -0.001 0.000 0.299 539 V C -0.339 175.574 176.094 -0.302 0.000 1.040 539 V CA -0.410 61.612 62.300 -0.464 0.000 0.913 539 V CB 2.075 33.425 31.823 -0.789 0.000 0.992 539 V HN 0.857 nan 8.190 nan 0.000 0.449 540 T N 5.439 119.945 114.554 -0.080 0.000 3.293 540 T HA 0.504 4.854 4.350 -0.001 0.000 0.320 540 T C -0.724 173.970 174.700 -0.009 0.000 0.995 540 T CA -0.187 61.920 62.100 0.011 0.000 1.041 540 T CB 0.702 69.644 68.868 0.124 0.000 1.058 540 T HN 0.386 nan 8.240 nan 0.000 0.453 541 I N 3.616 124.124 120.570 -0.103 0.000 2.321 541 I HA 0.439 4.608 4.170 -0.001 0.000 0.291 541 I C 0.515 176.564 176.117 -0.113 0.000 0.998 541 I CA -0.434 60.707 61.300 -0.265 0.000 1.227 541 I CB 1.617 39.334 38.000 -0.471 0.000 1.368 541 I HN 0.507 nan 8.210 nan 0.000 0.466 542 T N 3.685 118.193 114.554 -0.076 0.000 2.940 542 T HA 0.375 4.724 4.350 -0.001 0.000 0.288 542 T C -0.548 174.106 174.700 -0.076 0.000 1.045 542 T CA -0.745 61.323 62.100 -0.053 0.000 1.018 542 T CB 1.988 70.826 68.868 -0.050 0.000 1.151 542 T HN 0.661 nan 8.240 nan 0.000 0.529 543 D N -0.601 119.751 120.400 -0.080 0.000 2.506 543 D HA 0.500 5.140 4.640 -0.001 0.000 0.254 543 D C 1.480 177.634 176.300 -0.243 0.000 1.089 543 D CA -0.546 53.404 54.000 -0.083 0.000 1.050 543 D CB 1.122 41.951 40.800 0.049 0.000 1.221 543 D HN 0.503 nan 8.370 nan 0.000 0.589 544 A N 0.478 123.190 122.820 -0.181 0.000 1.915 544 A HA -0.267 4.052 4.320 -0.001 0.000 0.220 544 A C 2.056 179.530 177.584 -0.183 0.000 1.198 544 A CA 1.780 53.702 52.037 -0.191 0.000 0.647 544 A CB -0.708 18.260 19.000 -0.053 0.000 0.825 544 A HN 0.644 nan 8.150 nan 0.000 0.456 545 R N -1.891 118.535 120.500 -0.123 0.000 2.310 545 R HA 0.120 4.459 4.340 -0.001 0.000 0.202 545 R C -0.416 175.841 176.300 -0.072 0.000 0.933 545 R CA -0.061 55.996 56.100 -0.072 0.000 1.054 545 R CB 0.226 30.497 30.300 -0.048 0.000 0.985 545 R HN 0.300 nan 8.270 nan 0.000 0.489 546 R N 1.165 121.592 120.500 -0.122 0.000 2.598 546 R HA -0.127 4.212 4.340 -0.001 0.000 0.323 546 R C -1.046 175.230 176.300 -0.039 0.000 0.993 546 R CA 0.696 56.737 56.100 -0.098 0.000 0.724 546 R CB -1.699 28.556 30.300 -0.074 0.000 2.060 546 R HN 0.629 nan 8.270 nan 0.000 0.470 547 R N -2.066 118.425 120.500 -0.014 0.000 2.644 547 R HA 0.291 4.630 4.340 -0.001 0.000 0.257 547 R C -0.214 176.095 176.300 0.015 0.000 1.082 547 R CA -0.516 55.593 56.100 0.015 0.000 0.927 547 R CB 0.591 30.933 30.300 0.070 0.000 1.258 547 R HN 0.253 nan 8.270 nan 0.000 0.459 548 T N -1.011 113.529 114.554 -0.023 0.000 2.854 548 T HA -0.004 4.345 4.350 -0.001 0.000 0.336 548 T C 0.298 174.924 174.700 -0.124 0.000 1.095 548 T CA -0.230 61.838 62.100 -0.054 0.000 1.118 548 T CB 0.677 69.505 68.868 -0.066 0.000 1.025 548 T HN 0.708 nan 8.240 nan 0.000 0.549 549 C N 5.677 124.897 119.300 -0.134 0.000 2.291 549 C HA 0.553 5.013 4.460 -0.001 0.000 0.322 549 C C -1.280 173.548 174.990 -0.271 0.000 1.205 549 C CA -1.852 57.036 59.018 -0.217 0.000 1.495 549 C CB 0.150 27.909 27.740 0.032 0.000 2.127 549 C HN 0.807 nan 8.230 nan 0.000 0.452 550 P HA -0.142 nan 4.420 nan 0.000 0.218 550 P C 0.200 177.193 177.300 -0.512 0.000 1.146 550 P CA 1.562 64.342 63.100 -0.534 0.000 0.820 550 P CB -0.109 31.136 31.700 -0.758 0.000 0.778 551 Y N -1.499 118.705 120.300 -0.160 0.000 2.471 551 Y HA 0.105 4.654 4.550 -0.001 0.000 0.321 551 Y C 0.675 176.560 175.900 -0.025 0.000 1.195 551 Y CA -0.374 57.688 58.100 -0.062 0.000 1.272 551 Y CB -0.598 37.859 38.460 -0.005 0.000 1.097 551 Y HN -0.256 nan 8.280 nan 0.000 0.507 552 V N 0.651 120.589 119.914 0.040 0.000 2.383 552 V HA -0.016 4.104 4.120 -0.001 0.000 0.275 552 V C 0.451 176.626 176.094 0.134 0.000 1.036 552 V CA -0.616 61.731 62.300 0.078 0.000 0.889 552 V CB 0.769 32.621 31.823 0.049 0.000 0.985 552 V HN 0.330 nan 8.190 nan 0.000 0.459 553 Y N 4.769 125.098 120.300 0.048 0.000 2.479 553 Y HA 0.428 4.977 4.550 -0.001 0.000 0.283 553 Y C 0.702 176.763 175.900 0.268 0.000 1.109 553 Y CA 0.348 58.527 58.100 0.132 0.000 1.239 553 Y CB 0.460 38.914 38.460 -0.010 0.000 1.108 553 Y HN 0.510 nan 8.280 nan 0.000 0.548 554 K N 1.271 121.542 120.400 -0.215 0.000 2.535 554 K HA 0.703 5.022 4.320 -0.001 0.000 0.251 554 K C -1.984 174.559 176.600 -0.096 0.000 0.942 554 K CA -0.341 55.714 56.287 -0.387 0.000 0.798 554 K CB 1.673 33.891 32.500 -0.470 0.000 1.267 554 K HN 0.166 nan 8.250 nan 0.000 0.434 555 A N 3.526 126.278 122.820 -0.113 0.000 2.455 555 A HA 0.847 5.166 4.320 -0.001 0.000 0.300 555 A C -1.833 175.875 177.584 0.207 0.000 1.040 555 A CA -0.611 51.523 52.037 0.161 0.000 0.697 555 A CB 0.707 19.834 19.000 0.210 0.000 1.265 555 A HN 0.958 nan 8.150 nan 0.000 0.407 556 L N -0.784 120.623 121.223 0.307 0.000 2.672 556 L HA 0.965 5.304 4.340 -0.001 0.000 0.256 556 L C -0.368 176.597 176.870 0.158 0.000 0.946 556 L CA 0.003 54.980 54.840 0.229 0.000 0.889 556 L CB 1.169 43.290 42.059 0.103 0.000 1.441 556 L HN 1.352 nan 8.230 nan 0.000 0.418 557 G N 1.159 110.015 108.800 0.094 0.000 2.672 557 G HA2 0.819 4.778 3.960 -0.001 0.000 0.292 557 G HA3 0.819 4.778 3.960 -0.001 0.000 0.292 557 G C -1.623 173.285 174.900 0.012 0.000 1.375 557 G CA -0.854 44.234 45.100 -0.020 0.000 0.890 557 G HN 0.721 nan 8.290 nan 0.000 0.476 558 I N 0.805 121.357 120.570 -0.029 0.000 2.436 558 I HA 0.408 4.578 4.170 -0.001 0.000 0.289 558 I C -0.569 175.471 176.117 -0.129 0.000 1.010 558 I CA -0.975 60.289 61.300 -0.059 0.000 1.098 558 I CB 2.186 40.181 38.000 -0.009 0.000 1.266 558 I HN 0.064 nan 8.210 nan 0.000 0.434 559 V N 4.581 124.384 119.914 -0.185 0.000 2.555 559 V HA 0.443 4.562 4.120 -0.001 0.000 0.302 559 V C -0.189 175.801 176.094 -0.174 0.000 1.038 559 V CA -0.505 61.701 62.300 -0.156 0.000 0.887 559 V CB 1.959 33.697 31.823 -0.141 0.000 0.991 559 V HN 0.806 nan 8.190 nan 0.000 0.434 560 S N 5.794 121.428 115.700 -0.109 0.000 2.542 560 S HA 0.433 4.902 4.470 -0.001 0.000 0.245 560 S C -2.581 172.012 174.600 -0.012 0.000 1.325 560 S CA -1.217 56.934 58.200 -0.081 0.000 1.176 560 S CB 1.085 64.248 63.200 -0.062 0.000 1.045 560 S HN 0.636 nan 8.310 nan 0.000 0.481 561 P HA 0.329 nan 4.420 nan 0.000 0.272 561 P C -0.517 176.950 177.300 0.278 0.000 1.230 561 P CA -0.363 62.812 63.100 0.125 0.000 0.788 561 P CB 0.602 32.310 31.700 0.014 0.000 0.949 562 R N -0.602 120.157 120.500 0.432 0.000 2.687 562 R HA 0.421 4.761 4.340 -0.001 0.000 0.265 562 R C -1.293 175.017 176.300 0.017 0.000 1.048 562 R CA -1.003 55.271 56.100 0.290 0.000 0.884 562 R CB 0.042 30.407 30.300 0.109 0.000 1.258 562 R HN 0.089 nan 8.270 nan 0.000 0.469 563 V N 2.649 122.304 119.914 -0.433 0.000 2.999 563 V HA 0.035 4.155 4.120 -0.001 0.000 0.307 563 V C 1.063 176.974 176.094 -0.305 0.000 1.084 563 V CA 0.322 62.216 62.300 -0.676 0.000 1.155 563 V CB 0.670 32.096 31.823 -0.662 0.000 0.975 563 V HN 0.720 nan 8.190 nan 0.000 0.490 564 L N 1.787 122.849 121.223 -0.268 0.000 3.017 564 L HA 0.311 4.650 4.340 -0.001 0.000 0.265 564 L C 0.473 177.289 176.870 -0.089 0.000 1.128 564 L CA 0.627 55.397 54.840 -0.118 0.000 0.984 564 L CB 0.929 42.964 42.059 -0.040 0.000 1.464 564 L HN 0.921 nan 8.230 nan 0.000 0.556 565 S N -1.068 114.563 115.700 -0.116 0.000 2.690 565 S HA 0.375 4.844 4.470 -0.001 0.000 0.264 565 S C -0.954 173.576 174.600 -0.116 0.000 1.040 565 S CA -0.415 57.743 58.200 -0.071 0.000 0.869 565 S CB 0.968 64.180 63.200 0.020 0.000 1.132 565 S HN 0.052 nan 8.310 nan 0.000 0.474 566 S N 0.031 115.671 115.700 -0.100 0.000 2.677 566 S HA 0.846 5.315 4.470 -0.001 0.000 0.304 566 S C -0.306 174.202 174.600 -0.154 0.000 1.108 566 S CA -1.214 56.889 58.200 -0.162 0.000 0.944 566 S CB 1.355 64.475 63.200 -0.132 0.000 1.127 566 S HN 0.911 nan 8.310 nan 0.000 0.511 567 R N 0.000 120.375 120.500 -0.208 0.000 2.786 567 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 567 R CA 0.000 56.014 56.100 -0.143 0.000 0.921 567 R CB 0.000 30.187 30.300 -0.188 0.000 0.687 567 R HN 0.000 nan 8.270 nan 0.000 0.535