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 1m1c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLRFVTKNSQ DKSSDLFSIC SDRGTFVAHN RVRTDFKFDN LVFNRVYGVS DATA SEQUENCE QKFTLVGNPT VCFNEGSSYL EGIAKKYLTL DGGLAIDNVL NELRSTCGIP DATA SEQUENCE GNAVASHAYN ITSWRWYDNH VALLMNMLRA YHLQVLTEQG QYSAGDIPMY DATA SEQUENCE HDGHVKIKLP VTIDDTAGPT QFAWPSDRST DSYPDWAQFS ESFPSIDVPY DATA SEQUENCE LDVRPLTVTE VNFVLMMMSK WHRRTNLAID YEAPQLADKF AYRHALTVQD DATA SEQUENCE ADEWIEGDRT DDQFRPPSSK VMLSALRKYV NHNRLYNQFY TAAQLLAQIM DATA SEQUENCE MKPVPNCAEG YAWLMHDALV NIPKFGSIRG RYPFLLSGDA ALIQATALED DATA SEQUENCE WSAIMAKPEL VFTYAMQVSV ALNTGLYLRR VKKTGFGTTI DDSYEDGAFL DATA SEQUENCE QPETFVQAAL ACCTGQDAPL NGMSDVYVTY PDLLEFDAVT QVPITVIEPA DATA SEQUENCE GYNIVDDHLV VVGVPVACSP YMIFPVAAFD TANPYCGNFV IKAANKYLRK DATA SEQUENCE GAVYDKLEAW KLAWALRVAG YDTHFKVYGD THGLTKFYAD NGDTWTHIPE DATA SEQUENCE FVTDGDVMEV FVTAIERRAR HFVELPRLNS PAFFRSVEVS TTIYDTHVQA DATA SEQUENCE GAHAVYHASR INLDYVKPVS TGIQVINAGE LKNYWGSVRR TQQGLGVVGL DATA SEQUENCE T 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.396 176.300 0.161 0.000 1.140 1 M CA 0.000 55.341 55.300 0.069 0.000 0.988 1 M CB 0.000 32.489 32.600 -0.185 0.000 1.302 2 L N 1.092 122.392 121.223 0.128 0.000 2.056 2 L HA 0.003 4.343 4.340 0.000 0.000 0.207 2 L C 2.263 179.224 176.870 0.152 0.000 1.078 2 L CA 1.908 56.827 54.840 0.131 0.000 0.749 2 L CB -0.540 41.577 42.059 0.096 0.000 0.901 2 L HN 0.504 nan 8.230 nan 0.000 0.433 3 R N -0.866 119.727 120.500 0.155 0.000 2.159 3 R HA -0.236 4.104 4.340 0.000 0.000 0.237 3 R C 2.170 178.581 176.300 0.185 0.000 1.131 3 R CA 1.889 58.072 56.100 0.137 0.000 0.982 3 R CB -0.437 29.938 30.300 0.125 0.000 0.868 3 R HN 0.540 nan 8.270 nan 0.000 0.453 4 F N 0.118 120.140 119.950 0.120 0.000 2.118 4 F HA -0.128 4.399 4.527 0.000 0.000 0.293 4 F C 2.008 177.897 175.800 0.147 0.000 1.102 4 F CA 1.424 59.512 58.000 0.146 0.000 1.247 4 F CB -0.786 38.350 39.000 0.227 0.000 1.017 4 F HN -0.168 nan 8.300 nan 0.000 0.475 5 V N 0.576 120.524 119.914 0.058 0.000 2.469 5 V HA -0.261 3.859 4.120 0.000 0.000 0.251 5 V C 2.263 178.296 176.094 -0.102 0.000 1.064 5 V CA 2.988 65.246 62.300 -0.071 0.000 1.066 5 V CB -0.993 30.952 31.823 0.204 0.000 0.667 5 V HN 0.710 nan 8.190 nan 0.000 0.461 6 T N -3.591 110.944 114.554 -0.032 0.000 3.067 6 T HA -0.005 4.345 4.350 0.000 0.000 0.261 6 T C 1.813 176.480 174.700 -0.054 0.000 1.110 6 T CA 0.454 62.537 62.100 -0.028 0.000 1.113 6 T CB -0.212 68.658 68.868 0.004 0.000 0.917 6 T HN 0.336 nan 8.240 nan 0.000 0.499 7 K N 1.592 121.936 120.400 -0.093 0.000 2.186 7 K HA 0.175 4.495 4.320 0.000 0.000 0.202 7 K C 1.985 178.513 176.600 -0.121 0.000 1.052 7 K CA 0.355 56.593 56.287 -0.081 0.000 0.965 7 K CB -0.373 32.097 32.500 -0.051 0.000 0.746 7 K HN 0.399 nan 8.250 nan 0.000 0.457 8 N N 1.094 119.658 118.700 -0.226 0.000 2.364 8 N HA -0.092 4.648 4.740 0.000 0.000 0.183 8 N C 1.107 176.575 175.510 -0.070 0.000 1.022 8 N CA 1.113 54.049 53.050 -0.190 0.000 0.883 8 N CB 0.063 38.377 38.487 -0.288 0.000 0.965 8 N HN 0.157 nan 8.380 nan 0.000 0.438 9 S N 0.003 115.672 115.700 -0.052 0.000 2.597 9 S HA 0.127 4.597 4.470 0.000 0.000 0.224 9 S C 0.371 174.970 174.600 -0.001 0.000 0.955 9 S CA -0.332 57.865 58.200 -0.006 0.000 0.933 9 S CB 0.212 63.409 63.200 -0.005 0.000 0.788 9 S HN 0.204 nan 8.310 nan 0.000 0.488 10 Q N 0.808 120.603 119.800 -0.009 0.000 2.494 10 Q HA -0.217 4.123 4.340 0.000 0.000 0.266 10 Q C -0.566 175.431 176.000 -0.005 0.000 1.053 10 Q CA 0.594 56.397 55.803 0.000 0.000 1.029 10 Q CB -2.073 26.674 28.738 0.015 0.000 1.423 10 Q HN 0.615 nan 8.270 nan 0.000 0.516 11 D N -1.944 118.449 120.400 -0.013 0.000 3.006 11 D HA -0.179 4.461 4.640 0.000 0.000 0.208 11 D C -0.190 176.102 176.300 -0.013 0.000 1.116 11 D CA 1.500 55.492 54.000 -0.013 0.000 0.998 11 D CB -0.609 40.185 40.800 -0.008 0.000 1.124 11 D HN 0.467 nan 8.370 nan 0.000 0.413 12 K N 1.410 121.804 120.400 -0.010 0.000 2.150 12 K HA 0.244 4.564 4.320 0.000 0.000 0.261 12 K C 0.057 176.649 176.600 -0.012 0.000 1.127 12 K CA 0.353 56.633 56.287 -0.011 0.000 0.989 12 K CB 0.638 33.133 32.500 -0.009 0.000 1.475 12 K HN 0.326 nan 8.250 nan 0.000 0.391 13 S N 1.282 116.971 115.700 -0.018 0.000 3.688 13 S HA -0.159 4.311 4.470 0.000 0.000 0.729 13 S C -0.411 174.179 174.600 -0.017 0.000 0.940 13 S CA 0.102 58.290 58.200 -0.021 0.000 1.261 13 S CB -0.815 62.374 63.200 -0.019 0.000 1.528 13 S HN 0.475 nan 8.310 nan 0.000 0.497 14 S N 4.459 120.146 115.700 -0.022 0.000 2.430 14 S HA 0.424 4.894 4.470 0.000 0.000 0.289 14 S C -0.122 174.450 174.600 -0.046 0.000 1.143 14 S CA -0.348 57.839 58.200 -0.021 0.000 1.067 14 S CB 0.736 63.929 63.200 -0.012 0.000 0.964 14 S HN 0.789 nan 8.310 nan 0.000 0.485 15 D N 3.500 123.864 120.400 -0.061 0.000 2.412 15 D HA 0.370 5.010 4.640 0.000 0.000 0.224 15 D C 0.040 176.141 176.300 -0.332 0.000 1.093 15 D CA -0.676 53.222 54.000 -0.170 0.000 0.850 15 D CB 0.740 41.468 40.800 -0.120 0.000 1.046 15 D HN 0.349 nan 8.370 nan 0.000 0.507 16 L N -0.574 120.432 121.223 -0.362 0.000 2.397 16 L HA 0.830 5.170 4.340 0.000 0.000 0.266 16 L C -0.737 175.732 176.870 -0.668 0.000 1.040 16 L CA -0.790 53.864 54.840 -0.310 0.000 0.800 16 L CB 0.332 42.374 42.059 -0.029 0.000 1.324 16 L HN 0.207 nan 8.230 nan 0.000 0.469 17 F N -1.968 118.100 119.950 0.195 0.000 2.685 17 F HA 0.720 5.247 4.527 0.000 0.000 0.315 17 F C 0.134 176.034 175.800 0.167 0.000 1.126 17 F CA -0.522 57.586 58.000 0.179 0.000 0.950 17 F CB 1.813 40.927 39.000 0.189 0.000 1.360 17 F HN 0.743 nan 8.300 nan 0.000 0.469 18 S N 0.230 115.991 115.700 0.102 0.000 2.758 18 S HA 0.803 5.273 4.470 0.000 0.000 0.292 18 S C -0.471 173.441 174.600 -1.148 0.000 1.131 18 S CA -0.858 57.189 58.200 -0.255 0.000 0.997 18 S CB 1.043 64.165 63.200 -0.129 0.000 1.111 18 S HN 0.457 nan 8.310 nan 0.000 0.552 19 I N 0.872 120.700 120.570 -1.237 0.000 2.692 19 I HA 0.391 4.561 4.170 0.000 0.000 0.284 19 I C 0.138 175.695 176.117 -0.934 0.000 1.159 19 I CA -0.306 60.095 61.300 -1.498 0.000 1.423 19 I CB -0.433 37.216 38.000 -0.585 0.000 1.380 19 I HN 0.915 nan 8.210 nan 0.000 0.580 20 C N 2.421 121.200 119.300 -0.868 0.000 3.279 20 C HA 0.814 5.274 4.460 0.000 0.000 0.386 20 C C -0.501 174.283 174.990 -0.344 0.000 1.081 20 C CA -0.863 57.825 59.018 -0.550 0.000 1.192 20 C CB 0.756 27.984 27.740 -0.853 0.000 1.552 20 C HN 1.038 nan 8.230 nan 0.000 0.559 21 S N 0.410 116.050 115.700 -0.100 0.000 2.542 21 S HA 0.619 5.089 4.470 0.000 0.000 0.276 21 S C -2.265 172.390 174.600 0.091 0.000 1.148 21 S CA -0.019 58.213 58.200 0.054 0.000 0.886 21 S CB 1.915 65.156 63.200 0.069 0.000 1.109 21 S HN 1.215 nan 8.310 nan 0.000 0.458 22 D N 2.548 123.030 120.400 0.137 0.000 2.477 22 D HA 0.452 5.092 4.640 0.000 0.000 0.239 22 D C 0.321 176.682 176.300 0.101 0.000 1.102 22 D CA -0.233 53.836 54.000 0.116 0.000 0.901 22 D CB -0.054 40.822 40.800 0.126 0.000 1.026 22 D HN 0.646 nan 8.370 nan 0.000 0.515 23 R N 2.600 123.146 120.500 0.077 0.000 3.651 23 R HA -0.159 4.181 4.340 0.000 0.000 0.292 23 R C 0.781 177.122 176.300 0.067 0.000 1.161 23 R CA 0.661 56.798 56.100 0.063 0.000 0.787 23 R CB -2.109 28.231 30.300 0.067 0.000 1.249 23 R HN 0.809 nan 8.270 nan 0.000 0.476 24 G N -0.454 108.393 108.800 0.078 0.000 2.164 24 G HA2 -0.269 3.691 3.960 0.000 0.000 0.212 24 G HA3 -0.269 3.691 3.960 0.000 0.000 0.212 24 G C -0.085 174.907 174.900 0.153 0.000 1.031 24 G CA 0.667 45.826 45.100 0.098 0.000 0.730 24 G HN 0.873 nan 8.290 nan 0.000 0.501 25 T N -1.559 113.120 114.554 0.208 0.000 2.893 25 T HA 0.820 5.170 4.350 0.000 0.000 0.337 25 T C -0.832 174.083 174.700 0.359 0.000 1.587 25 T CA 0.196 62.441 62.100 0.241 0.000 1.066 25 T CB 1.778 70.719 68.868 0.121 0.000 1.414 25 T HN 1.782 nan 8.240 nan 0.000 0.488 26 F N 0.790 120.821 119.950 0.135 0.000 2.741 26 F HA 0.894 5.421 4.527 0.000 0.000 0.313 26 F C -1.843 174.053 175.800 0.160 0.000 1.153 26 F CA -1.235 56.840 58.000 0.124 0.000 0.931 26 F CB 1.155 40.207 39.000 0.086 0.000 1.335 26 F HN 0.600 nan 8.300 nan 0.000 0.460 27 V N 1.258 121.255 119.914 0.138 0.000 2.925 27 V HA 0.914 5.034 4.120 0.000 0.000 0.311 27 V C -1.194 174.820 176.094 -0.133 0.000 1.104 27 V CA -0.363 61.895 62.300 -0.070 0.000 0.954 27 V CB 1.751 33.505 31.823 -0.115 0.000 1.022 27 V HN 1.470 nan 8.190 nan 0.000 0.427 28 A N 5.004 127.668 122.820 -0.261 0.000 2.324 28 A HA 0.894 5.214 4.320 0.000 0.000 0.330 28 A C -0.777 176.422 177.584 -0.643 0.000 1.165 28 A CA -0.500 51.343 52.037 -0.323 0.000 0.813 28 A CB 0.824 19.784 19.000 -0.065 0.000 1.197 28 A HN 0.992 nan 8.150 nan 0.000 0.484 29 H N 1.379 120.218 119.070 -0.386 0.000 2.600 29 H HA 0.435 4.991 4.556 0.000 0.000 0.357 29 H C -1.405 173.774 175.328 -0.247 0.000 1.106 29 H CA -0.761 55.077 56.048 -0.351 0.000 1.193 29 H CB 1.983 31.489 29.762 -0.426 0.000 1.594 29 H HN 0.754 nan 8.280 nan 0.000 0.526 30 N N 1.646 120.324 118.700 -0.037 0.000 2.480 30 N HA 0.174 4.914 4.740 0.000 0.000 0.289 30 N C -0.526 174.929 175.510 -0.091 0.000 1.073 30 N CA -0.840 52.197 53.050 -0.023 0.000 0.885 30 N CB 2.008 40.471 38.487 -0.040 0.000 1.421 30 N HN 0.364 nan 8.380 nan 0.000 0.503 31 R N 1.582 122.081 120.500 -0.001 0.000 2.402 31 R HA 0.320 4.660 4.340 0.000 0.000 0.331 31 R C -0.874 175.360 176.300 -0.110 0.000 1.040 31 R CA -0.166 55.903 56.100 -0.052 0.000 0.980 31 R CB -0.093 30.230 30.300 0.038 0.000 0.967 31 R HN 0.473 nan 8.270 nan 0.000 0.440 32 V N 5.069 124.773 119.914 -0.350 0.000 2.715 32 V HA 0.599 4.719 4.120 0.000 0.000 0.310 32 V C -0.969 174.877 176.094 -0.414 0.000 1.054 32 V CA -0.893 61.176 62.300 -0.386 0.000 0.928 32 V CB 1.725 33.205 31.823 -0.571 0.000 1.007 32 V HN 0.836 nan 8.190 nan 0.000 0.437 33 R N 3.479 123.939 120.500 -0.066 0.000 2.670 33 R HA 0.666 5.006 4.340 0.000 0.000 0.289 33 R C -1.426 174.972 176.300 0.163 0.000 0.965 33 R CA -0.330 55.820 56.100 0.083 0.000 0.899 33 R CB 2.204 32.592 30.300 0.146 0.000 1.173 33 R HN 0.762 nan 8.270 nan 0.000 0.456 34 T N 3.043 117.758 114.554 0.268 0.000 2.824 34 T HA 0.311 4.661 4.350 0.000 0.000 0.282 34 T C -1.112 173.653 174.700 0.108 0.000 0.993 34 T CA -0.747 61.454 62.100 0.169 0.000 0.967 34 T CB 1.479 70.487 68.868 0.234 0.000 0.960 34 T HN 0.468 nan 8.240 nan 0.000 0.441 35 D N 1.582 121.925 120.400 -0.095 0.000 2.217 35 D HA 0.507 5.147 4.640 0.000 0.000 0.248 35 D C -0.898 175.222 176.300 -0.299 0.000 1.008 35 D CA -0.242 53.752 54.000 -0.009 0.000 0.914 35 D CB 1.478 42.283 40.800 0.009 0.000 1.182 35 D HN 0.330 nan 8.370 nan 0.000 0.451 36 F N 0.884 120.922 119.950 0.146 0.000 2.553 36 F HA 0.326 4.853 4.527 0.000 0.000 0.335 36 F C 0.133 176.053 175.800 0.200 0.000 1.148 36 F CA -0.850 57.275 58.000 0.209 0.000 0.963 36 F CB 1.459 40.639 39.000 0.301 0.000 1.217 36 F HN -0.167 nan 8.300 nan 0.000 0.441 37 K N 4.415 124.971 120.400 0.261 0.000 2.270 37 K HA 0.837 5.157 4.320 0.000 0.000 0.255 37 K C -1.403 175.361 176.600 0.273 0.000 0.936 37 K CA -0.753 55.596 56.287 0.103 0.000 0.809 37 K CB 2.075 34.593 32.500 0.030 0.000 1.131 37 K HN 0.494 nan 8.250 nan 0.000 0.427 38 F N -0.778 119.241 119.950 0.115 0.000 2.622 38 F HA 0.281 4.808 4.527 0.000 0.000 0.318 38 F C -0.885 174.952 175.800 0.060 0.000 1.135 38 F CA -1.328 56.705 58.000 0.055 0.000 1.015 38 F CB 1.201 40.215 39.000 0.023 0.000 1.275 38 F HN 0.589 nan 8.300 nan 0.000 0.457 39 D N 2.375 122.880 120.400 0.176 0.000 2.702 39 D HA -0.302 4.338 4.640 0.000 0.000 0.233 39 D C -0.180 176.136 176.300 0.026 0.000 1.164 39 D CA 1.054 55.114 54.000 0.099 0.000 0.638 39 D CB -1.132 39.748 40.800 0.132 0.000 1.041 39 D HN 0.915 nan 8.370 nan 0.000 0.422 40 N N -1.951 116.743 118.700 -0.009 0.000 2.850 40 N HA -0.176 4.564 4.740 0.000 0.000 0.249 40 N C -0.330 175.103 175.510 -0.129 0.000 1.060 40 N CA 0.636 53.654 53.050 -0.054 0.000 0.825 40 N CB -0.841 37.626 38.487 -0.033 0.000 1.132 40 N HN 0.469 nan 8.380 nan 0.000 0.564 41 L N 1.455 122.549 121.223 -0.216 0.000 2.282 41 L HA 0.523 4.863 4.340 0.000 0.000 0.288 41 L C 0.315 176.928 176.870 -0.429 0.000 1.033 41 L CA -0.514 54.114 54.840 -0.353 0.000 0.807 41 L CB 1.941 43.813 42.059 -0.310 0.000 1.209 41 L HN -0.194 nan 8.230 nan 0.000 0.423 42 V N 4.335 123.921 119.914 -0.546 0.000 2.540 42 V HA 0.523 4.643 4.120 0.000 0.000 0.302 42 V C -0.695 175.031 176.094 -0.614 0.000 1.035 42 V CA -0.576 61.512 62.300 -0.354 0.000 0.873 42 V CB 1.863 33.569 31.823 -0.195 0.000 0.992 42 V HN 0.442 nan 8.190 nan 0.000 0.428 43 F N 4.028 124.004 119.950 0.044 0.000 2.539 43 F HA 0.505 5.032 4.527 0.000 0.000 0.328 43 F C 0.271 176.209 175.800 0.230 0.000 1.148 43 F CA -0.796 57.264 58.000 0.100 0.000 0.940 43 F CB 1.739 40.783 39.000 0.073 0.000 1.194 43 F HN 0.522 nan 8.300 nan 0.000 0.438 44 N N 3.144 122.008 118.700 0.273 0.000 2.443 44 N HA 0.454 5.194 4.740 0.000 0.000 0.295 44 N C -1.009 174.647 175.510 0.244 0.000 1.076 44 N CA -0.795 52.409 53.050 0.258 0.000 0.919 44 N CB 2.501 41.067 38.487 0.132 0.000 1.176 44 N HN 0.516 nan 8.380 nan 0.000 0.487 45 R N 1.680 122.350 120.500 0.284 0.000 2.483 45 R HA 0.281 4.621 4.340 0.000 0.000 0.303 45 R C -1.334 175.137 176.300 0.285 0.000 0.987 45 R CA -0.545 55.694 56.100 0.232 0.000 0.881 45 R CB 0.943 31.331 30.300 0.146 0.000 1.177 45 R HN 0.553 nan 8.270 nan 0.000 0.451 46 V N 3.170 123.204 119.914 0.199 0.000 2.539 46 V HA 0.724 4.844 4.120 0.000 0.000 0.292 46 V C -0.696 175.532 176.094 0.223 0.000 1.045 46 V CA -0.662 61.716 62.300 0.129 0.000 0.945 46 V CB 0.880 32.698 31.823 -0.008 0.000 0.993 46 V HN 0.714 nan 8.190 nan 0.000 0.464 47 Y N 1.331 121.589 120.300 -0.070 0.000 2.677 47 Y HA 0.919 5.469 4.550 0.000 0.000 0.334 47 Y C 0.211 176.075 175.900 -0.059 0.000 1.154 47 Y CA -1.130 56.917 58.100 -0.087 0.000 1.070 47 Y CB 1.499 39.853 38.460 -0.177 0.000 1.294 47 Y HN 0.848 nan 8.280 nan 0.000 0.475 48 G N 0.892 109.743 108.800 0.085 0.000 2.335 48 G HA2 0.544 4.504 3.960 0.000 0.000 0.314 48 G HA3 0.544 4.504 3.960 0.000 0.000 0.314 48 G C -1.583 173.336 174.900 0.032 0.000 1.129 48 G CA -0.632 44.484 45.100 0.027 0.000 0.912 48 G HN 0.512 nan 8.290 nan 0.000 0.443 49 V N 1.818 121.684 119.914 -0.080 0.000 2.667 49 V HA 0.820 4.940 4.120 0.000 0.000 0.308 49 V C 0.180 176.237 176.094 -0.062 0.000 1.048 49 V CA -0.448 61.778 62.300 -0.124 0.000 0.928 49 V CB 1.891 33.419 31.823 -0.492 0.000 1.004 49 V HN 1.087 nan 8.190 nan 0.000 0.444 50 S N 3.178 118.845 115.700 -0.054 0.000 2.570 50 S HA 0.817 5.287 4.470 0.000 0.000 0.270 50 S C -1.267 173.253 174.600 -0.133 0.000 1.149 50 S CA -0.882 57.215 58.200 -0.172 0.000 0.837 50 S CB 2.216 65.335 63.200 -0.136 0.000 1.124 50 S HN 0.689 nan 8.310 nan 0.000 0.465 51 Q N 1.456 121.128 119.800 -0.213 0.000 2.280 51 Q HA 0.426 4.766 4.340 0.000 0.000 0.259 51 Q C -1.472 174.323 176.000 -0.343 0.000 0.964 51 Q CA -0.421 55.241 55.803 -0.235 0.000 0.844 51 Q CB 1.384 29.995 28.738 -0.211 0.000 1.334 51 Q HN 0.853 nan 8.270 nan 0.000 0.423 52 K N 1.878 122.054 120.400 -0.373 0.000 2.087 52 K HA 0.719 5.039 4.320 0.000 0.000 0.255 52 K C -0.979 175.217 176.600 -0.673 0.000 0.988 52 K CA -0.407 55.661 56.287 -0.366 0.000 0.915 52 K CB 1.046 33.438 32.500 -0.180 0.000 1.043 52 K HN 0.294 nan 8.250 nan 0.000 0.457 53 F N -0.574 118.983 119.950 -0.654 0.000 2.740 53 F HA 0.519 5.046 4.527 0.000 0.000 0.357 53 F C -0.149 175.465 175.800 -0.309 0.000 1.141 53 F CA -0.889 56.769 58.000 -0.570 0.000 1.044 53 F CB 2.384 40.823 39.000 -0.935 0.000 1.430 53 F HN 0.618 nan 8.300 nan 0.000 0.518 54 T N 1.547 116.163 114.554 0.103 0.000 3.293 54 T HA 0.323 4.673 4.350 0.000 0.000 0.320 54 T C -0.013 174.787 174.700 0.168 0.000 0.995 54 T CA -0.544 61.630 62.100 0.123 0.000 1.041 54 T CB 0.480 69.361 68.868 0.023 0.000 1.058 54 T HN 0.402 nan 8.240 nan 0.000 0.453 55 L N 4.235 125.588 121.223 0.218 0.000 2.376 55 L HA 0.192 4.532 4.340 0.000 0.000 0.219 55 L C 1.253 178.177 176.870 0.091 0.000 1.133 55 L CA 0.709 55.651 54.840 0.170 0.000 0.816 55 L CB -1.110 41.051 42.059 0.170 0.000 0.933 55 L HN 0.492 nan 8.230 nan 0.000 0.449 56 V N 0.315 120.272 119.914 0.071 0.000 2.637 56 V HA 0.587 4.707 4.120 0.000 0.000 0.296 56 V C 0.734 176.838 176.094 0.016 0.000 1.046 56 V CA 0.183 62.508 62.300 0.042 0.000 1.066 56 V CB 0.852 32.698 31.823 0.038 0.000 0.968 56 V HN 0.483 nan 8.190 nan 0.000 0.483 57 G N 3.157 111.967 108.800 0.017 0.000 2.387 57 G HA2 0.275 4.235 3.960 0.000 0.000 0.294 57 G HA3 0.275 4.235 3.960 0.000 0.000 0.294 57 G C -1.089 173.819 174.900 0.014 0.000 1.509 57 G CA -0.679 44.416 45.100 -0.007 0.000 0.806 57 G HN 0.609 nan 8.290 nan 0.000 0.546 58 N N 1.343 120.042 118.700 -0.001 0.000 2.813 58 N HA 0.328 5.068 4.740 0.000 0.000 0.282 58 N C -2.490 173.013 175.510 -0.011 0.000 1.748 58 N CA -1.451 51.609 53.050 0.017 0.000 0.860 58 N CB 1.428 39.928 38.487 0.021 0.000 1.204 58 N HN 0.273 nan 8.380 nan 0.000 0.490 59 P HA 0.019 nan 4.420 nan 0.000 0.264 59 P C -0.416 176.824 177.300 -0.101 0.000 1.193 59 P CA 0.187 63.227 63.100 -0.098 0.000 0.763 59 P CB 0.575 32.200 31.700 -0.125 0.000 0.810 60 T N 0.220 114.693 114.554 -0.135 0.000 2.863 60 T HA 0.281 4.631 4.350 0.000 0.000 0.299 60 T C 0.372 174.959 174.700 -0.189 0.000 0.973 60 T CA -0.676 61.355 62.100 -0.114 0.000 0.994 60 T CB -0.535 68.274 68.868 -0.099 0.000 0.961 60 T HN 0.110 nan 8.240 nan 0.000 0.552 61 V N 2.402 122.197 119.914 -0.199 0.000 2.408 61 V HA 0.503 4.623 4.120 0.000 0.000 0.267 61 V C 1.120 177.051 176.094 -0.272 0.000 1.047 61 V CA -1.050 61.029 62.300 -0.368 0.000 0.937 61 V CB -0.459 31.050 31.823 -0.522 0.000 0.999 61 V HN 1.205 nan 8.190 nan 0.000 0.472 62 C N 5.544 124.608 119.300 -0.393 0.000 2.366 62 C HA 0.877 5.337 4.460 0.000 0.000 0.345 62 C C -0.400 174.318 174.990 -0.453 0.000 1.209 62 C CA -0.536 58.336 59.018 -0.243 0.000 2.050 62 C CB 0.263 27.891 27.740 -0.187 0.000 2.359 62 C HN 0.723 nan 8.230 nan 0.000 0.527 63 F N 4.633 124.524 119.950 -0.098 0.000 2.460 63 F HA 0.499 5.026 4.527 0.000 0.000 0.341 63 F C 0.194 175.958 175.800 -0.061 0.000 1.130 63 F CA -0.293 57.661 58.000 -0.076 0.000 0.962 63 F CB 1.241 40.216 39.000 -0.041 0.000 1.171 63 F HN 0.658 nan 8.300 nan 0.000 0.436 64 N N 1.618 120.348 118.700 0.051 0.000 2.321 64 N HA 0.137 4.877 4.740 0.000 0.000 0.290 64 N C -1.115 174.410 175.510 0.026 0.000 1.212 64 N CA -0.855 52.208 53.050 0.022 0.000 0.767 64 N CB 2.406 40.882 38.487 -0.018 0.000 1.494 64 N HN 0.610 nan 8.380 nan 0.000 0.479 65 E N 0.436 120.624 120.200 -0.019 0.000 2.415 65 E HA 0.202 4.552 4.350 0.000 0.000 0.263 65 E C -0.072 176.556 176.600 0.048 0.000 0.995 65 E CA -0.038 56.316 56.400 -0.077 0.000 0.915 65 E CB 0.489 30.084 29.700 -0.176 0.000 0.951 65 E HN 0.646 nan 8.360 nan 0.000 0.449 66 G N 2.722 111.654 108.800 0.218 0.000 2.990 66 G HA2 0.327 4.287 3.960 0.000 0.000 0.208 66 G HA3 0.327 4.287 3.960 0.000 0.000 0.208 66 G C -0.726 174.423 174.900 0.414 0.000 1.334 66 G CA -0.516 44.764 45.100 0.300 0.000 1.024 66 G HN 0.518 nan 8.290 nan 0.000 0.574 67 S N -1.088 114.835 115.700 0.372 0.000 2.646 67 S HA 0.504 4.974 4.470 0.000 0.000 0.276 67 S C 0.275 174.945 174.600 0.116 0.000 1.222 67 S CA -0.300 58.019 58.200 0.198 0.000 1.014 67 S CB 1.480 64.675 63.200 -0.008 0.000 0.991 67 S HN 0.575 nan 8.310 nan 0.000 0.533 68 S N 1.343 117.007 115.700 -0.061 0.000 2.465 68 S HA 0.400 4.870 4.470 0.000 0.000 0.279 68 S C -1.587 172.854 174.600 -0.266 0.000 1.201 68 S CA -0.434 57.703 58.200 -0.105 0.000 1.053 68 S CB -0.267 62.946 63.200 0.022 0.000 0.953 68 S HN 0.503 nan 8.310 nan 0.000 0.488 69 Y N 5.574 125.850 120.300 -0.039 0.000 2.478 69 Y HA 0.375 4.925 4.550 0.000 0.000 0.329 69 Y C 0.353 176.259 175.900 0.010 0.000 0.967 69 Y CA -0.682 57.430 58.100 0.019 0.000 1.255 69 Y CB 0.862 39.352 38.460 0.050 0.000 1.103 69 Y HN 0.566 nan 8.280 nan 0.000 0.497 70 L N 2.809 124.088 121.223 0.094 0.000 2.848 70 L HA 0.256 4.596 4.340 0.000 0.000 0.240 70 L C 0.261 177.161 176.870 0.050 0.000 1.232 70 L CA -0.092 54.784 54.840 0.060 0.000 1.031 70 L CB -0.082 41.994 42.059 0.029 0.000 1.338 70 L HN 0.490 nan 8.230 nan 0.000 0.509 71 E N 1.504 121.761 120.200 0.095 0.000 2.110 71 E HA 0.299 4.649 4.350 0.000 0.000 0.300 71 E C 0.851 177.468 176.600 0.030 0.000 1.278 71 E CA 0.155 56.598 56.400 0.071 0.000 1.365 71 E CB 0.724 30.502 29.700 0.130 0.000 1.283 71 E HN 0.402 nan 8.360 nan 0.000 0.490 72 G N 1.533 110.327 108.800 -0.010 0.000 4.449 72 G HA2 0.081 4.041 3.960 0.000 0.000 0.195 72 G HA3 0.081 4.041 3.960 0.000 0.000 0.195 72 G C 0.227 175.086 174.900 -0.069 0.000 0.806 72 G CA -0.483 44.582 45.100 -0.059 0.000 0.774 72 G HN 0.265 nan 8.290 nan 0.000 0.508 73 I N 1.877 122.427 120.570 -0.033 0.000 2.834 73 I HA 0.582 4.752 4.170 0.000 0.000 0.305 73 I C 1.221 177.351 176.117 0.023 0.000 1.008 73 I CA -0.970 60.325 61.300 -0.009 0.000 1.273 73 I CB 1.506 39.513 38.000 0.013 0.000 1.432 73 I HN 0.104 nan 8.210 nan 0.000 0.557 74 A N 3.608 126.476 122.820 0.081 0.000 2.565 74 A HA 0.013 4.333 4.320 0.000 0.000 0.237 74 A C 1.170 178.744 177.584 -0.016 0.000 1.053 74 A CA 0.126 52.202 52.037 0.066 0.000 0.755 74 A CB 0.011 19.119 19.000 0.181 0.000 0.980 74 A HN 0.834 nan 8.150 nan 0.000 0.506 75 K N 1.246 121.605 120.400 -0.068 0.000 2.360 75 K HA -0.133 4.187 4.320 0.000 0.000 0.201 75 K C 1.744 178.237 176.600 -0.178 0.000 1.046 75 K CA 1.569 57.799 56.287 -0.096 0.000 0.945 75 K CB 0.021 32.471 32.500 -0.083 0.000 0.750 75 K HN 0.771 nan 8.250 nan 0.000 0.464 76 K N 0.168 120.369 120.400 -0.331 0.000 2.217 76 K HA -0.108 4.212 4.320 0.000 0.000 0.202 76 K C 0.322 176.501 176.600 -0.702 0.000 1.051 76 K CA 1.036 56.965 56.287 -0.597 0.000 0.952 76 K CB 0.228 32.185 32.500 -0.905 0.000 0.736 76 K HN 0.093 nan 8.250 nan 0.000 0.453 77 Y N 0.502 120.787 120.300 -0.026 0.000 2.720 77 Y HA 0.336 4.886 4.550 0.000 0.000 0.268 77 Y C -0.621 175.224 175.900 -0.091 0.000 1.142 77 Y CA -0.800 57.265 58.100 -0.058 0.000 1.193 77 Y CB 0.691 39.114 38.460 -0.062 0.000 1.176 77 Y HN -0.140 nan 8.280 nan 0.000 0.542 78 L N 0.457 121.671 121.223 -0.015 0.000 2.409 78 L HA 0.432 4.772 4.340 0.000 0.000 0.262 78 L C 0.542 177.382 176.870 -0.050 0.000 0.992 78 L CA -0.715 54.106 54.840 -0.031 0.000 0.817 78 L CB 2.023 44.069 42.059 -0.023 0.000 1.350 78 L HN 0.229 nan 8.230 nan 0.000 0.411 79 T N -1.215 113.309 114.554 -0.050 0.000 2.689 79 T HA 0.220 4.570 4.350 0.000 0.000 0.308 79 T C 1.352 176.026 174.700 -0.043 0.000 1.021 79 T CA -0.644 61.427 62.100 -0.048 0.000 0.973 79 T CB 0.626 69.467 68.868 -0.045 0.000 1.113 79 T HN 0.316 nan 8.240 nan 0.000 0.522 80 L N 1.261 122.460 121.223 -0.040 0.000 2.450 80 L HA 0.094 4.434 4.340 0.000 0.000 0.224 80 L C 0.824 177.675 176.870 -0.031 0.000 1.149 80 L CA 1.498 56.316 54.840 -0.036 0.000 0.816 80 L CB -1.780 40.259 42.059 -0.033 0.000 0.932 80 L HN 0.834 nan 8.230 nan 0.000 0.449 81 D N -3.474 116.908 120.400 -0.030 0.000 2.566 81 D HA 0.234 4.874 4.640 0.000 0.000 0.254 81 D C 1.175 177.459 176.300 -0.026 0.000 1.090 81 D CA 0.021 54.007 54.000 -0.024 0.000 1.034 81 D CB 0.461 41.249 40.800 -0.021 0.000 1.434 81 D HN -0.119 nan 8.370 nan 0.000 0.509 82 G N 0.396 109.183 108.800 -0.023 0.000 2.805 82 G HA2 -0.261 3.699 3.960 0.000 0.000 0.227 82 G HA3 -0.261 3.699 3.960 0.000 0.000 0.227 82 G C 1.031 175.910 174.900 -0.036 0.000 1.143 82 G CA 1.377 46.460 45.100 -0.029 0.000 0.759 82 G HN 0.881 nan 8.290 nan 0.000 0.634 83 G N -0.189 108.587 108.800 -0.040 0.000 2.281 83 G HA2 0.185 4.145 3.960 0.000 0.000 0.236 83 G HA3 0.185 4.145 3.960 0.000 0.000 0.236 83 G C -0.077 174.778 174.900 -0.074 0.000 1.053 83 G CA 0.156 45.225 45.100 -0.052 0.000 0.874 83 G HN 0.910 nan 8.290 nan 0.000 0.450 84 L N 2.897 124.047 121.223 -0.122 0.000 2.290 84 L HA 0.620 4.960 4.340 0.000 0.000 0.284 84 L C 0.826 177.585 176.870 -0.184 0.000 1.078 84 L CA -0.505 54.227 54.840 -0.179 0.000 0.815 84 L CB 0.946 42.803 42.059 -0.337 0.000 1.162 84 L HN 0.696 nan 8.230 nan 0.000 0.435 85 A N 6.591 129.341 122.820 -0.117 0.000 2.797 85 A HA 0.246 4.566 4.320 0.000 0.000 0.296 85 A C 1.280 178.796 177.584 -0.114 0.000 1.580 85 A CA -0.374 51.609 52.037 -0.089 0.000 1.277 85 A CB -0.827 18.150 19.000 -0.037 0.000 1.101 85 A HN 0.800 nan 8.150 nan 0.000 0.562 86 I N 1.575 122.035 120.570 -0.183 0.000 2.179 86 I HA -0.219 3.951 4.170 0.000 0.000 0.242 86 I C 1.964 178.011 176.117 -0.116 0.000 1.088 86 I CA 1.868 63.042 61.300 -0.211 0.000 1.357 86 I CB -1.278 36.586 38.000 -0.227 0.000 1.051 86 I HN 0.690 nan 8.210 nan 0.000 0.409 87 D N 0.956 121.308 120.400 -0.080 0.000 2.182 87 D HA -0.215 4.425 4.640 0.000 0.000 0.201 87 D C 1.622 177.909 176.300 -0.022 0.000 0.986 87 D CA 1.218 55.189 54.000 -0.049 0.000 0.847 87 D CB -0.808 39.966 40.800 -0.042 0.000 0.942 87 D HN 0.286 nan 8.370 nan 0.000 0.467 88 N N -0.375 118.327 118.700 0.003 0.000 2.300 88 N HA -0.019 4.721 4.740 0.000 0.000 0.179 88 N C 1.679 177.281 175.510 0.153 0.000 1.016 88 N CA 0.479 53.569 53.050 0.066 0.000 0.876 88 N CB -0.002 38.528 38.487 0.071 0.000 0.979 88 N HN 0.123 nan 8.380 nan 0.000 0.432 89 V N 0.738 120.710 119.914 0.096 0.000 2.488 89 V HA -0.049 4.071 4.120 0.000 0.000 0.246 89 V C 2.059 178.132 176.094 -0.035 0.000 1.046 89 V CA 0.997 63.303 62.300 0.010 0.000 1.053 89 V CB -0.458 31.187 31.823 -0.298 0.000 0.679 89 V HN 0.232 nan 8.190 nan 0.000 0.458 90 L N 0.775 121.974 121.223 -0.040 0.000 2.056 90 L HA -0.150 4.190 4.340 0.000 0.000 0.207 90 L C 2.568 179.425 176.870 -0.021 0.000 1.078 90 L CA 1.913 56.742 54.840 -0.019 0.000 0.749 90 L CB -0.801 41.238 42.059 -0.033 0.000 0.901 90 L HN 0.469 nan 8.230 nan 0.000 0.433 91 N N 0.615 119.302 118.700 -0.021 0.000 2.188 91 N HA -0.258 4.482 4.740 0.000 0.000 0.184 91 N C 1.842 177.324 175.510 -0.048 0.000 1.018 91 N CA 1.567 54.602 53.050 -0.025 0.000 0.858 91 N CB 0.120 38.597 38.487 -0.016 0.000 0.989 91 N HN 0.264 nan 8.380 nan 0.000 0.426 92 E N 0.404 120.565 120.200 -0.065 0.000 2.209 92 E HA -0.102 4.248 4.350 0.000 0.000 0.196 92 E C 1.922 178.366 176.600 -0.259 0.000 0.993 92 E CA 0.699 56.991 56.400 -0.181 0.000 0.819 92 E CB -0.211 29.318 29.700 -0.285 0.000 0.745 92 E HN 0.302 nan 8.360 nan 0.000 0.477 93 L N 0.726 121.855 121.223 -0.157 0.000 2.072 93 L HA -0.070 4.270 4.340 0.000 0.000 0.205 93 L C 2.480 179.334 176.870 -0.026 0.000 1.079 93 L CA 2.072 56.877 54.840 -0.059 0.000 0.752 93 L CB -0.648 41.449 42.059 0.062 0.000 0.906 93 L HN 0.259 nan 8.230 nan 0.000 0.436 94 R N -1.318 119.166 120.500 -0.027 0.000 2.161 94 R HA 0.005 4.345 4.340 0.000 0.000 0.213 94 R C 2.118 178.404 176.300 -0.023 0.000 1.055 94 R CA 1.179 57.271 56.100 -0.013 0.000 0.996 94 R CB -0.625 29.669 30.300 -0.012 0.000 0.901 94 R HN 0.397 nan 8.270 nan 0.000 0.456 95 S N 0.125 115.800 115.700 -0.042 0.000 2.356 95 S HA -0.076 4.394 4.470 0.000 0.000 0.219 95 S C 2.087 176.660 174.600 -0.046 0.000 1.036 95 S CA 1.239 59.415 58.200 -0.040 0.000 0.965 95 S CB -0.450 62.724 63.200 -0.043 0.000 0.864 95 S HN 0.297 nan 8.310 nan 0.000 0.471 96 T N 0.790 115.298 114.554 -0.077 0.000 2.814 96 T HA 0.187 4.537 4.350 0.000 0.000 0.254 96 T C 0.976 175.645 174.700 -0.052 0.000 1.037 96 T CA 0.884 62.939 62.100 -0.075 0.000 1.143 96 T CB -0.577 68.216 68.868 -0.124 0.000 0.866 96 T HN 0.516 nan 8.240 nan 0.000 0.431 97 C N 0.869 120.136 119.300 -0.056 0.000 2.365 97 C HA 0.716 5.176 4.460 0.000 0.000 0.374 97 C C 1.372 176.369 174.990 0.012 0.000 1.318 97 C CA -0.952 58.061 59.018 -0.010 0.000 2.239 97 C CB 0.677 28.426 27.740 0.014 0.000 2.144 97 C HN 0.584 nan 8.230 nan 0.000 0.581 98 G N 1.983 110.801 108.800 0.030 0.000 2.807 98 G HA2 0.536 4.496 3.960 0.000 0.000 0.316 98 G HA3 0.536 4.496 3.960 0.000 0.000 0.316 98 G C -0.601 174.333 174.900 0.057 0.000 0.900 98 G CA 0.121 45.241 45.100 0.034 0.000 1.499 98 G HN 0.448 nan 8.290 nan 0.000 0.484 99 I N 2.778 123.384 120.570 0.060 0.000 2.569 99 I HA 0.343 4.513 4.170 0.000 0.000 0.290 99 I C -2.277 173.871 176.117 0.051 0.000 1.088 99 I CA -2.524 58.827 61.300 0.085 0.000 1.047 99 I CB 2.303 40.381 38.000 0.130 0.000 1.237 99 I HN 0.215 nan 8.210 nan 0.000 0.421 100 P HA 0.146 nan 4.420 nan 0.000 0.270 100 P C 0.992 178.303 177.300 0.019 0.000 1.223 100 P CA -0.066 63.053 63.100 0.031 0.000 0.785 100 P CB 0.890 32.611 31.700 0.035 0.000 0.923 101 G N 1.877 110.683 108.800 0.010 0.000 2.422 101 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 101 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 101 G C 1.160 176.060 174.900 -0.000 0.000 1.140 101 G CA 0.334 45.434 45.100 0.001 0.000 0.775 101 G HN 0.690 nan 8.290 nan 0.000 0.545 102 N N 1.443 120.146 118.700 0.005 0.000 2.300 102 N HA 0.051 4.791 4.740 0.000 0.000 0.179 102 N C 2.320 177.836 175.510 0.010 0.000 1.016 102 N CA 1.093 54.146 53.050 0.004 0.000 0.876 102 N CB -0.428 38.063 38.487 0.007 0.000 0.979 102 N HN 0.268 nan 8.380 nan 0.000 0.432 103 A N 1.730 124.563 122.820 0.021 0.000 1.929 103 A HA -0.006 4.314 4.320 0.000 0.000 0.216 103 A C 2.577 180.138 177.584 -0.040 0.000 1.176 103 A CA 1.716 53.774 52.037 0.035 0.000 0.628 103 A CB -0.736 18.315 19.000 0.085 0.000 0.816 103 A HN 0.254 nan 8.150 nan 0.000 0.444 104 V N -2.665 117.214 119.914 -0.058 0.000 2.591 104 V HA 0.094 4.214 4.120 0.000 0.000 0.249 104 V C 2.486 178.551 176.094 -0.049 0.000 1.053 104 V CA 1.467 63.705 62.300 -0.103 0.000 1.068 104 V CB -1.288 30.500 31.823 -0.058 0.000 0.689 104 V HN 0.441 nan 8.190 nan 0.000 0.462 105 A N 0.357 123.163 122.820 -0.023 0.000 1.930 105 A HA -0.145 4.175 4.320 0.000 0.000 0.217 105 A C 2.531 180.123 177.584 0.014 0.000 1.175 105 A CA 2.125 54.158 52.037 -0.006 0.000 0.627 105 A CB -0.874 18.124 19.000 -0.004 0.000 0.815 105 A HN 0.562 nan 8.150 nan 0.000 0.443 106 S N -1.346 114.362 115.700 0.014 0.000 2.387 106 S HA -0.194 4.276 4.470 0.000 0.000 0.226 106 S C 2.019 176.668 174.600 0.082 0.000 1.026 106 S CA 1.605 59.829 58.200 0.040 0.000 0.972 106 S CB -0.476 62.745 63.200 0.036 0.000 0.814 106 S HN 0.819 nan 8.310 nan 0.000 0.477 107 H N 1.069 120.081 119.070 -0.097 0.000 2.423 107 H HA 0.216 4.772 4.556 0.000 0.000 0.297 107 H C 1.929 177.160 175.328 -0.161 0.000 1.075 107 H CA 1.630 57.571 56.048 -0.178 0.000 1.342 107 H CB -0.591 28.837 29.762 -0.555 0.000 1.395 107 H HN 0.373 nan 8.280 nan 0.000 0.530 108 A N -0.314 122.360 122.820 -0.243 0.000 1.969 108 A HA -0.151 4.169 4.320 0.000 0.000 0.218 108 A C 2.244 179.725 177.584 -0.173 0.000 1.169 108 A CA 1.306 53.189 52.037 -0.257 0.000 0.635 108 A CB -1.147 17.787 19.000 -0.111 0.000 0.810 108 A HN 0.671 nan 8.150 nan 0.000 0.445 109 Y N 1.027 121.225 120.300 -0.169 0.000 2.263 109 Y HA -0.142 4.408 4.550 0.000 0.000 0.292 109 Y C 2.175 178.002 175.900 -0.121 0.000 1.130 109 Y CA 1.766 59.802 58.100 -0.107 0.000 1.179 109 Y CB -0.257 38.172 38.460 -0.052 0.000 0.998 109 Y HN 0.485 nan 8.280 nan 0.000 0.532 110 N N 0.250 118.953 118.700 0.005 0.000 2.250 110 N HA -0.152 4.588 4.740 0.000 0.000 0.181 110 N C 1.698 176.952 175.510 -0.427 0.000 1.017 110 N CA 1.009 54.031 53.050 -0.047 0.000 0.866 110 N CB -0.220 38.322 38.487 0.093 0.000 0.985 110 N HN 0.455 nan 8.380 nan 0.000 0.429 111 I N 1.906 121.994 120.570 -0.803 0.000 3.241 111 I HA -0.153 4.017 4.170 0.000 0.000 0.280 111 I C 1.477 177.226 176.117 -0.613 0.000 1.320 111 I CA 0.420 60.927 61.300 -1.321 0.000 1.413 111 I CB -0.361 37.054 38.000 -0.975 0.000 1.060 111 I HN 0.350 nan 8.210 nan 0.000 0.500 112 T N -0.826 113.522 114.554 -0.345 0.000 2.520 112 T HA -0.251 4.099 4.350 0.000 0.000 0.258 112 T C 2.039 176.774 174.700 0.058 0.000 1.125 112 T CA 1.828 63.850 62.100 -0.129 0.000 1.206 112 T CB -0.962 67.776 68.868 -0.217 0.000 0.864 112 T HN 0.484 nan 8.240 nan 0.000 0.400 113 S N 0.117 115.887 115.700 0.116 0.000 2.399 113 S HA -0.109 4.361 4.470 0.000 0.000 0.231 113 S C 0.420 175.165 174.600 0.241 0.000 1.022 113 S CA 0.062 58.356 58.200 0.156 0.000 0.983 113 S CB -1.401 61.864 63.200 0.109 0.000 0.803 113 S HN 0.566 nan 8.310 nan 0.000 0.480 114 W N 4.810 126.057 121.300 -0.087 0.000 2.651 114 W HA -0.021 4.639 4.660 0.000 0.000 0.325 114 W C 0.813 177.167 176.519 -0.274 0.000 0.936 114 W CA -0.115 57.076 57.345 -0.256 0.000 1.078 114 W CB -0.135 29.043 29.460 -0.469 0.000 1.073 114 W HN 0.340 nan 8.180 nan 0.000 0.545 115 R N 3.493 123.920 120.500 -0.122 0.000 2.229 115 R HA 0.280 4.620 4.340 0.000 0.000 0.328 115 R C -0.807 175.430 176.300 -0.106 0.000 1.009 115 R CA -0.818 55.276 56.100 -0.010 0.000 0.864 115 R CB -0.079 30.224 30.300 0.006 0.000 1.085 115 R HN 0.475 nan 8.270 nan 0.000 0.453 116 W N 3.429 124.823 121.300 0.156 0.000 1.828 116 W HA 0.194 4.854 4.660 0.000 0.000 0.369 116 W C -0.326 176.275 176.519 0.138 0.000 0.764 116 W CA -0.863 56.572 57.345 0.149 0.000 1.660 116 W CB -0.339 29.197 29.460 0.127 0.000 1.843 116 W HN 0.506 nan 8.180 nan 0.000 0.286 117 Y N 3.050 123.420 120.300 0.116 0.000 2.365 117 Y HA 0.226 4.776 4.550 0.000 0.000 0.340 117 Y C -0.087 175.828 175.900 0.025 0.000 1.016 117 Y CA -0.212 57.925 58.100 0.061 0.000 1.196 117 Y CB 0.614 39.075 38.460 0.001 0.000 1.167 117 Y HN 0.150 nan 8.280 nan 0.000 0.509 118 D N 5.798 125.911 120.400 -0.477 0.000 2.469 118 D HA 0.188 4.828 4.640 0.000 0.000 0.251 118 D C -1.728 174.249 176.300 -0.538 0.000 1.173 118 D CA -0.396 53.361 54.000 -0.405 0.000 0.882 118 D CB 0.580 41.356 40.800 -0.039 0.000 1.129 118 D HN 0.791 nan 8.370 nan 0.000 0.549 119 N N 2.427 120.669 118.700 -0.765 0.000 2.571 119 N HA 0.147 4.887 4.740 0.000 0.000 0.286 119 N C -0.065 175.143 175.510 -0.502 0.000 1.138 119 N CA -0.389 52.385 53.050 -0.461 0.000 0.859 119 N CB 0.875 39.095 38.487 -0.446 0.000 1.414 119 N HN 0.325 nan 8.380 nan 0.000 0.529 120 H N 2.048 121.001 119.070 -0.196 0.000 2.586 120 H HA 0.106 4.662 4.556 0.000 0.000 0.273 120 H C 1.349 176.802 175.328 0.208 0.000 0.997 120 H CA 0.107 56.178 56.048 0.037 0.000 1.177 120 H CB 0.806 30.671 29.762 0.171 0.000 1.471 120 H HN 0.283 nan 8.280 nan 0.000 0.538 121 V N 1.306 121.339 119.914 0.199 0.000 2.453 121 V HA -0.290 3.830 4.120 0.000 0.000 0.252 121 V C 2.745 178.959 176.094 0.200 0.000 1.068 121 V CA 1.889 64.277 62.300 0.146 0.000 1.070 121 V CB -0.703 31.136 31.823 0.027 0.000 0.664 121 V HN 0.499 nan 8.190 nan 0.000 0.461 122 A N -0.217 122.774 122.820 0.285 0.000 1.897 122 A HA -0.122 4.198 4.320 0.000 0.000 0.215 122 A C 2.133 179.903 177.584 0.311 0.000 1.181 122 A CA 1.892 54.137 52.037 0.347 0.000 0.620 122 A CB -0.433 18.833 19.000 0.444 0.000 0.821 122 A HN 0.479 nan 8.150 nan 0.000 0.443 123 L N -0.147 121.298 121.223 0.371 0.000 2.044 123 L HA -0.000 4.340 4.340 0.000 0.000 0.205 123 L C 2.167 179.179 176.870 0.237 0.000 1.075 123 L CA 1.585 56.552 54.840 0.210 0.000 0.747 123 L CB -0.547 41.624 42.059 0.187 0.000 0.903 123 L HN 0.356 nan 8.230 nan 0.000 0.435 124 L N -1.093 120.330 121.223 0.333 0.000 2.079 124 L HA -0.239 4.101 4.340 0.000 0.000 0.210 124 L C 2.612 179.625 176.870 0.239 0.000 1.081 124 L CA 1.681 56.717 54.840 0.327 0.000 0.752 124 L CB -0.616 41.654 42.059 0.351 0.000 0.896 124 L HN 0.379 nan 8.230 nan 0.000 0.433 125 M N 0.204 119.922 119.600 0.196 0.000 2.108 125 M HA -0.201 4.279 4.480 0.000 0.000 0.261 125 M C 1.954 178.352 176.300 0.164 0.000 1.066 125 M CA 1.835 57.233 55.300 0.163 0.000 1.107 125 M CB -0.224 32.485 32.600 0.182 0.000 1.356 125 M HN 0.199 nan 8.290 nan 0.000 0.406 126 N N -0.252 118.539 118.700 0.152 0.000 2.106 126 N HA -0.084 4.656 4.740 0.000 0.000 0.188 126 N C 1.590 177.250 175.510 0.250 0.000 1.029 126 N CA 1.767 54.894 53.050 0.128 0.000 0.848 126 N CB -0.441 38.128 38.487 0.138 0.000 1.007 126 N HN 0.439 nan 8.380 nan 0.000 0.423 127 M N -0.205 119.533 119.600 0.229 0.000 2.149 127 M HA -0.122 4.358 4.480 0.000 0.000 0.261 127 M C 1.874 178.452 176.300 0.463 0.000 1.064 127 M CA 1.154 56.660 55.300 0.344 0.000 1.102 127 M CB -0.363 32.421 32.600 0.306 0.000 1.369 127 M HN 0.115 nan 8.290 nan 0.000 0.408 128 L N 1.354 122.795 121.223 0.364 0.000 2.023 128 L HA -0.128 4.212 4.340 0.000 0.000 0.205 128 L C 2.791 179.969 176.870 0.512 0.000 1.073 128 L CA 1.724 56.791 54.840 0.379 0.000 0.745 128 L CB -0.549 41.680 42.059 0.283 0.000 0.900 128 L HN 0.251 nan 8.230 nan 0.000 0.435 129 R N -0.243 120.475 120.500 0.363 0.000 2.115 129 R HA -0.012 4.328 4.340 0.000 0.000 0.230 129 R C 1.928 178.392 176.300 0.273 0.000 1.111 129 R CA 1.211 57.483 56.100 0.285 0.000 0.976 129 R CB -1.009 29.321 30.300 0.051 0.000 0.870 129 R HN 0.347 nan 8.270 nan 0.000 0.445 130 A N 0.974 123.998 122.820 0.340 0.000 2.015 130 A HA -0.163 4.157 4.320 0.000 0.000 0.219 130 A C 1.954 179.550 177.584 0.020 0.000 1.163 130 A CA 0.906 53.096 52.037 0.255 0.000 0.646 130 A CB -0.657 18.718 19.000 0.626 0.000 0.806 130 A HN 0.614 nan 8.150 nan 0.000 0.448 131 Y N -0.232 120.121 120.300 0.089 0.000 2.220 131 Y HA -0.187 4.363 4.550 0.000 0.000 0.291 131 Y C 2.416 178.235 175.900 -0.135 0.000 1.129 131 Y CA 1.981 60.053 58.100 -0.047 0.000 1.161 131 Y CB -0.447 38.008 38.460 -0.009 0.000 0.997 131 Y HN 0.461 nan 8.280 nan 0.000 0.522 132 H N -0.121 118.903 119.070 -0.077 0.000 2.352 132 H HA -0.162 4.394 4.556 0.000 0.000 0.299 132 H C 2.256 177.414 175.328 -0.285 0.000 1.097 132 H CA 1.735 57.672 56.048 -0.185 0.000 1.311 132 H CB -0.063 29.717 29.762 0.030 0.000 1.377 132 H HN 0.341 nan 8.280 nan 0.000 0.504 133 L N 0.730 121.831 121.223 -0.204 0.000 2.093 133 L HA -0.177 4.163 4.340 0.000 0.000 0.208 133 L C 2.581 179.201 176.870 -0.418 0.000 1.085 133 L CA 1.373 56.001 54.840 -0.353 0.000 0.755 133 L CB -0.753 40.800 42.059 -0.843 0.000 0.904 133 L HN 0.301 nan 8.230 nan 0.000 0.435 134 Q N -0.096 119.349 119.800 -0.593 0.000 2.123 134 Q HA -0.106 4.234 4.340 0.000 0.000 0.199 134 Q C 2.094 177.912 176.000 -0.303 0.000 0.966 134 Q CA 1.326 56.902 55.803 -0.379 0.000 0.845 134 Q CB -0.186 28.346 28.738 -0.343 0.000 0.907 134 Q HN 0.256 nan 8.270 nan 0.000 0.439 135 V N 0.402 120.057 119.914 -0.431 0.000 2.490 135 V HA -0.206 3.914 4.120 0.000 0.000 0.250 135 V C 2.164 178.135 176.094 -0.205 0.000 1.061 135 V CA 1.208 63.273 62.300 -0.392 0.000 1.064 135 V CB -0.471 31.003 31.823 -0.583 0.000 0.670 135 V HN 0.405 nan 8.190 nan 0.000 0.461 136 L N -0.045 121.098 121.223 -0.134 0.000 2.131 136 L HA -0.078 4.262 4.340 0.000 0.000 0.206 136 L C 2.547 179.459 176.870 0.069 0.000 1.087 136 L CA 2.171 56.997 54.840 -0.023 0.000 0.767 136 L CB -1.583 40.486 42.059 0.016 0.000 0.917 136 L HN 0.421 nan 8.230 nan 0.000 0.441 137 T N -1.259 113.354 114.554 0.097 0.000 2.904 137 T HA -0.168 4.182 4.350 0.000 0.000 0.267 137 T C 1.768 176.457 174.700 -0.020 0.000 1.059 137 T CA 0.917 63.053 62.100 0.061 0.000 1.137 137 T CB 0.034 68.848 68.868 -0.089 0.000 0.879 137 T HN 0.253 nan 8.240 nan 0.000 0.467 138 E N 1.031 121.192 120.200 -0.064 0.000 2.152 138 E HA -0.050 4.300 4.350 0.000 0.000 0.192 138 E C 2.141 178.716 176.600 -0.042 0.000 0.983 138 E CA 0.718 57.073 56.400 -0.075 0.000 0.818 138 E CB 0.046 29.675 29.700 -0.118 0.000 0.758 138 E HN 0.499 nan 8.360 nan 0.000 0.467 139 Q N -1.198 118.585 119.800 -0.028 0.000 2.403 139 Q HA 0.094 4.434 4.340 0.000 0.000 0.203 139 Q C 0.741 176.758 176.000 0.029 0.000 0.932 139 Q CA 0.420 56.225 55.803 0.003 0.000 0.945 139 Q CB 0.859 29.604 28.738 0.012 0.000 1.045 139 Q HN 0.400 nan 8.270 nan 0.000 0.511 140 G N 1.237 110.057 108.800 0.033 0.000 2.153 140 G HA2 -0.318 3.642 3.960 0.000 0.000 0.252 140 G HA3 -0.318 3.642 3.960 0.000 0.000 0.252 140 G C 0.395 175.344 174.900 0.082 0.000 0.994 140 G CA 0.341 45.473 45.100 0.054 0.000 0.698 140 G HN 0.430 nan 8.290 nan 0.000 0.521 141 Q N -1.294 118.559 119.800 0.087 0.000 2.198 141 Q HA 0.257 4.597 4.340 0.000 0.000 0.209 141 Q C 0.187 176.248 176.000 0.101 0.000 0.848 141 Q CA -0.551 55.302 55.803 0.084 0.000 0.974 141 Q CB 0.727 29.495 28.738 0.051 0.000 1.115 141 Q HN 0.588 nan 8.270 nan 0.000 0.494 142 Y N 2.122 122.436 120.300 0.022 0.000 2.436 142 Y HA 0.136 4.686 4.550 0.000 0.000 0.336 142 Y C 0.184 176.118 175.900 0.057 0.000 1.049 142 Y CA -0.121 58.004 58.100 0.042 0.000 1.294 142 Y CB 0.385 38.876 38.460 0.051 0.000 1.179 142 Y HN 0.040 nan 8.280 nan 0.000 0.520 143 S N 3.065 118.664 115.700 -0.168 0.000 2.903 143 S HA 0.753 5.223 4.470 0.000 0.000 0.314 143 S C 0.288 174.802 174.600 -0.144 0.000 1.177 143 S CA -0.516 57.664 58.200 -0.034 0.000 0.859 143 S CB 1.077 64.285 63.200 0.014 0.000 1.265 143 S HN 0.723 nan 8.310 nan 0.000 0.584 144 A N -0.148 122.662 122.820 -0.017 0.000 2.218 144 A HA 0.647 4.967 4.320 0.000 0.000 0.209 144 A C 1.377 178.958 177.584 -0.005 0.000 1.168 144 A CA 0.560 52.597 52.037 0.000 0.000 0.804 144 A CB -1.397 17.632 19.000 0.047 0.000 0.834 144 A HN 2.446 nan 8.150 nan 0.000 0.482 145 G N -1.102 107.692 108.800 -0.011 0.000 2.731 145 G HA2 0.178 4.138 3.960 0.000 0.000 0.686 145 G HA3 0.178 4.138 3.960 0.000 0.000 0.686 145 G C -0.957 173.964 174.900 0.036 0.000 1.395 145 G CA 0.036 45.144 45.100 0.013 0.000 0.870 145 G HN 0.855 nan 8.290 nan 0.000 0.591 146 D N -0.748 119.681 120.400 0.048 0.000 2.683 146 D HA 0.544 5.184 4.640 0.000 0.000 0.246 146 D C -1.105 175.234 176.300 0.064 0.000 1.238 146 D CA -0.607 53.426 54.000 0.056 0.000 0.759 146 D CB 1.270 42.105 40.800 0.058 0.000 1.349 146 D HN 0.527 nan 8.370 nan 0.000 0.426 147 I N 2.526 123.139 120.570 0.072 0.000 2.359 147 I HA 0.409 4.579 4.170 0.000 0.000 0.294 147 I C -1.983 174.207 176.117 0.122 0.000 0.987 147 I CA -2.047 59.304 61.300 0.086 0.000 1.225 147 I CB 1.429 39.484 38.000 0.090 0.000 1.366 147 I HN 0.196 nan 8.210 nan 0.000 0.466 148 P HA 0.149 nan 4.420 nan 0.000 0.271 148 P C -0.410 177.046 177.300 0.260 0.000 1.220 148 P CA -0.372 62.831 63.100 0.172 0.000 0.768 148 P CB 0.410 32.204 31.700 0.156 0.000 0.848 149 M N 4.634 124.354 119.600 0.200 0.000 2.217 149 M HA 0.155 4.635 4.480 0.000 0.000 0.354 149 M C -1.312 175.110 176.300 0.203 0.000 1.225 149 M CA -0.481 54.926 55.300 0.179 0.000 1.137 149 M CB 0.164 32.824 32.600 0.099 0.000 1.576 149 M HN 0.396 nan 8.290 nan 0.000 0.461 150 Y N 7.273 127.528 120.300 -0.076 0.000 2.504 150 Y HA 0.319 4.869 4.550 0.000 0.000 0.339 150 Y C -0.833 175.023 175.900 -0.073 0.000 0.974 150 Y CA -0.486 57.523 58.100 -0.152 0.000 1.232 150 Y CB 0.032 38.097 38.460 -0.659 0.000 1.108 150 Y HN 0.637 nan 8.280 nan 0.000 0.509 151 H N 6.018 124.766 119.070 -0.537 0.000 2.609 151 H HA 0.333 4.889 4.556 0.000 0.000 0.344 151 H C -0.941 174.045 175.328 -0.570 0.000 1.040 151 H CA -0.573 55.175 56.048 -0.499 0.000 1.216 151 H CB 1.907 31.529 29.762 -0.235 0.000 1.529 151 H HN 0.773 nan 8.280 nan 0.000 0.519 152 D N 2.687 122.613 120.400 -0.789 0.000 2.995 152 D HA 0.160 4.800 4.640 0.000 0.000 0.289 152 D C 1.218 177.250 176.300 -0.446 0.000 1.116 152 D CA 0.754 54.372 54.000 -0.636 0.000 0.994 152 D CB 0.682 41.243 40.800 -0.398 0.000 1.209 152 D HN 0.724 nan 8.370 nan 0.000 0.458 153 G N -0.566 108.007 108.800 -0.377 0.000 4.111 153 G HA2 -0.074 3.886 3.960 0.000 0.000 0.216 153 G HA3 -0.074 3.886 3.960 0.000 0.000 0.216 153 G C 0.696 175.405 174.900 -0.318 0.000 0.822 153 G CA -0.270 44.625 45.100 -0.341 0.000 0.845 153 G HN 0.202 nan 8.290 nan 0.000 0.533 154 H N -0.611 118.442 119.070 -0.029 0.000 2.874 154 H HA 0.571 5.127 4.556 0.000 0.000 0.264 154 H C 0.374 175.624 175.328 -0.129 0.000 1.007 154 H CA 0.602 56.627 56.048 -0.039 0.000 1.207 154 H CB 1.589 31.373 29.762 0.038 0.000 1.487 154 H HN 0.612 nan 8.280 nan 0.000 0.505 155 V N -0.036 119.836 119.914 -0.071 0.000 3.216 155 V HA 0.314 4.434 4.120 0.000 0.000 0.273 155 V C -1.900 174.118 176.094 -0.127 0.000 1.664 155 V CA -0.988 61.242 62.300 -0.118 0.000 1.021 155 V CB 2.932 34.621 31.823 -0.223 0.000 1.250 155 V HN 0.213 nan 8.190 nan 0.000 0.463 156 K N 4.877 125.226 120.400 -0.085 0.000 2.375 156 K HA 0.843 5.163 4.320 0.000 0.000 0.249 156 K C -1.505 175.071 176.600 -0.040 0.000 0.942 156 K CA -0.711 55.536 56.287 -0.067 0.000 0.806 156 K CB 2.119 34.598 32.500 -0.035 0.000 1.227 156 K HN 1.016 nan 8.250 nan 0.000 0.430 157 I N 0.453 121.004 120.570 -0.032 0.000 2.586 157 I HA 0.405 4.575 4.170 0.000 0.000 0.288 157 I C -1.426 174.687 176.117 -0.006 0.000 1.147 157 I CA -0.928 60.354 61.300 -0.030 0.000 1.047 157 I CB 1.964 39.915 38.000 -0.082 0.000 1.244 157 I HN 0.535 nan 8.210 nan 0.000 0.429 158 K N 6.419 126.840 120.400 0.037 0.000 2.483 158 K HA 0.501 4.821 4.320 0.000 0.000 0.256 158 K C -1.103 175.552 176.600 0.092 0.000 0.961 158 K CA -0.769 55.564 56.287 0.077 0.000 0.873 158 K CB 2.189 34.722 32.500 0.055 0.000 1.107 158 K HN 0.482 nan 8.250 nan 0.000 0.432 159 L N 4.488 125.794 121.223 0.139 0.000 2.477 159 L HA 0.174 4.514 4.340 0.000 0.000 0.272 159 L C -1.964 174.955 176.870 0.080 0.000 1.157 159 L CA -1.286 53.625 54.840 0.119 0.000 0.889 159 L CB -0.113 42.032 42.059 0.144 0.000 1.158 159 L HN 0.597 nan 8.230 nan 0.000 0.473 160 P HA 0.150 nan 4.420 nan 0.000 0.271 160 P C -0.629 176.697 177.300 0.044 0.000 1.220 160 P CA -0.096 63.033 63.100 0.049 0.000 0.768 160 P CB 1.212 32.938 31.700 0.043 0.000 0.848 161 V N 3.628 123.568 119.914 0.044 0.000 2.531 161 V HA 0.140 4.260 4.120 0.000 0.000 0.301 161 V C 1.389 177.508 176.094 0.042 0.000 1.034 161 V CA -0.245 62.080 62.300 0.042 0.000 0.865 161 V CB 1.625 33.474 31.823 0.044 0.000 0.995 161 V HN 0.763 nan 8.190 nan 0.000 0.424 162 T N 4.834 119.414 114.554 0.042 0.000 2.848 162 T HA -0.055 4.295 4.350 0.000 0.000 0.269 162 T C 0.627 175.355 174.700 0.047 0.000 1.081 162 T CA 1.402 63.529 62.100 0.044 0.000 1.125 162 T CB -0.365 68.532 68.868 0.048 0.000 0.848 162 T HN 0.439 nan 8.240 nan 0.000 0.503 163 I N 0.913 121.513 120.570 0.050 0.000 2.545 163 I HA 0.347 4.517 4.170 0.000 0.000 0.292 163 I C -0.884 175.261 176.117 0.048 0.000 1.040 163 I CA -1.179 60.152 61.300 0.051 0.000 1.068 163 I CB 2.031 40.068 38.000 0.062 0.000 1.251 163 I HN -0.114 nan 8.210 nan 0.000 0.424 164 D N 4.470 124.897 120.400 0.045 0.000 2.343 164 D HA -0.024 4.616 4.640 0.000 0.000 0.255 164 D C 0.816 177.144 176.300 0.047 0.000 1.187 164 D CA 0.279 54.305 54.000 0.043 0.000 0.875 164 D CB 1.063 41.887 40.800 0.039 0.000 1.136 164 D HN 0.507 nan 8.370 nan 0.000 0.469 165 D N 1.936 122.363 120.400 0.046 0.000 2.264 165 D HA -0.130 4.510 4.640 0.000 0.000 0.208 165 D C 1.050 177.381 176.300 0.051 0.000 0.966 165 D CA 1.053 55.082 54.000 0.047 0.000 0.864 165 D CB 0.529 41.356 40.800 0.045 0.000 0.933 165 D HN 0.514 nan 8.370 nan 0.000 0.499 166 T N -1.654 112.928 114.554 0.047 0.000 3.035 166 T HA 0.261 4.611 4.350 0.000 0.000 0.259 166 T C 1.984 176.711 174.700 0.046 0.000 1.078 166 T CA 0.726 62.854 62.100 0.046 0.000 1.132 166 T CB 0.135 69.026 68.868 0.040 0.000 0.900 166 T HN 0.124 nan 8.240 nan 0.000 0.480 167 A N 1.767 124.614 122.820 0.045 0.000 1.997 167 A HA 0.604 4.924 4.320 0.000 0.000 0.212 167 A C 1.754 179.368 177.584 0.051 0.000 1.178 167 A CA 0.414 52.477 52.037 0.043 0.000 0.698 167 A CB -1.143 17.879 19.000 0.036 0.000 0.842 167 A HN 0.574 nan 8.150 nan 0.000 0.458 168 G N 0.680 109.516 108.800 0.060 0.000 2.777 168 G HA2 0.280 4.240 3.960 0.000 0.000 0.286 168 G HA3 0.280 4.240 3.960 0.000 0.000 0.286 168 G C -2.234 172.725 174.900 0.098 0.000 1.283 168 G CA -0.136 45.011 45.100 0.078 0.000 1.060 168 G HN 0.331 nan 8.290 nan 0.000 0.641 169 P HA 0.299 nan 4.420 nan 0.000 0.281 169 P C 0.305 177.765 177.300 0.266 0.000 1.252 169 P CA -0.244 62.953 63.100 0.162 0.000 0.778 169 P CB 1.370 33.173 31.700 0.171 0.000 0.895 170 T N 0.203 114.856 114.554 0.165 0.000 3.037 170 T HA 0.045 4.395 4.350 0.000 0.000 0.251 170 T C 0.626 175.373 174.700 0.079 0.000 1.079 170 T CA 0.692 62.911 62.100 0.199 0.000 1.067 170 T CB 0.043 68.970 68.868 0.099 0.000 0.948 170 T HN 0.361 nan 8.240 nan 0.000 0.496 171 Q N 0.588 120.299 119.800 -0.149 0.000 2.274 171 Q HA 0.517 4.857 4.340 0.000 0.000 0.260 171 Q C -1.349 174.134 176.000 -0.863 0.000 0.974 171 Q CA -0.839 54.721 55.803 -0.405 0.000 0.876 171 Q CB 1.000 29.594 28.738 -0.240 0.000 1.297 171 Q HN 0.283 nan 8.270 nan 0.000 0.446 172 F N 2.853 122.094 119.950 -1.182 0.000 2.444 172 F HA 0.619 5.146 4.527 0.000 0.000 0.360 172 F C -0.545 174.907 175.800 -0.581 0.000 1.106 172 F CA -0.409 56.957 58.000 -1.057 0.000 1.170 172 F CB 0.059 38.674 39.000 -0.641 0.000 1.113 172 F HN 0.576 nan 8.300 nan 0.000 0.521 173 A N 5.529 127.703 122.820 -1.076 0.000 2.309 173 A HA 0.533 4.853 4.320 0.000 0.000 0.317 173 A C -1.457 175.484 177.584 -1.071 0.000 1.134 173 A CA -0.882 50.627 52.037 -0.881 0.000 0.866 173 A CB 0.325 19.079 19.000 -0.409 0.000 1.329 173 A HN 0.853 nan 8.150 nan 0.000 0.477 174 W N 0.626 121.600 121.300 -0.544 0.000 2.417 174 W HA 0.251 4.911 4.660 0.000 0.000 0.332 174 W C -1.600 174.655 176.519 -0.440 0.000 1.413 174 W CA -0.893 56.182 57.345 -0.449 0.000 1.299 174 W CB 0.049 29.307 29.460 -0.337 0.000 1.304 174 W HN 0.557 nan 8.180 nan 0.000 0.565 175 P HA -0.135 nan 4.420 nan 0.000 0.220 175 P C 0.341 177.542 177.300 -0.165 0.000 1.148 175 P CA 1.054 63.788 63.100 -0.611 0.000 0.803 175 P CB -0.097 30.651 31.700 -1.588 0.000 0.782 176 S N 0.739 116.435 115.700 -0.007 0.000 2.488 176 S HA 0.129 4.599 4.470 0.000 0.000 0.278 176 S C 0.107 174.907 174.600 0.334 0.000 1.259 176 S CA -0.723 57.553 58.200 0.126 0.000 1.061 176 S CB 0.104 63.333 63.200 0.050 0.000 0.910 176 S HN -0.039 nan 8.310 nan 0.000 0.491 177 D N 1.937 122.544 120.400 0.346 0.000 2.348 177 D HA 0.078 4.718 4.640 0.000 0.000 0.253 177 D C 0.146 176.622 176.300 0.293 0.000 1.161 177 D CA -0.289 53.855 54.000 0.241 0.000 0.876 177 D CB 0.533 41.322 40.800 -0.019 0.000 1.160 177 D HN 0.426 nan 8.370 nan 0.000 0.459 178 R N 2.233 122.860 120.500 0.211 0.000 2.401 178 R HA 0.033 4.373 4.340 0.000 0.000 0.299 178 R C 0.936 177.205 176.300 -0.052 0.000 1.064 178 R CA 0.790 56.863 56.100 -0.046 0.000 1.000 178 R CB 0.295 30.382 30.300 -0.355 0.000 0.973 178 R HN 0.769 nan 8.270 nan 0.000 0.438 179 S N 0.772 116.437 115.700 -0.059 0.000 2.769 179 S HA -0.207 4.263 4.470 0.000 0.000 0.264 179 S C 0.754 175.356 174.600 0.002 0.000 1.288 179 S CA 2.000 60.170 58.200 -0.050 0.000 1.378 179 S CB -1.135 62.010 63.200 -0.091 0.000 1.702 179 S HN 0.724 nan 8.310 nan 0.000 0.656 180 T N 1.587 116.165 114.554 0.040 0.000 2.990 180 T HA 0.353 4.703 4.350 0.000 0.000 0.250 180 T C 0.012 174.756 174.700 0.073 0.000 1.041 180 T CA 0.565 62.683 62.100 0.031 0.000 1.010 180 T CB 0.016 68.875 68.868 -0.015 0.000 1.003 180 T HN 1.001 nan 8.240 nan 0.000 0.499 181 D N 0.231 120.713 120.400 0.138 0.000 2.645 181 D HA 0.513 5.153 4.640 0.000 0.000 0.228 181 D C -0.328 176.086 176.300 0.190 0.000 1.148 181 D CA -0.829 53.252 54.000 0.134 0.000 0.860 181 D CB 1.011 41.899 40.800 0.146 0.000 1.548 181 D HN 0.032 nan 8.370 nan 0.000 0.460 182 S N -0.262 115.507 115.700 0.115 0.000 2.624 182 S HA 0.529 4.999 4.470 0.000 0.000 0.263 182 S C -0.743 173.961 174.600 0.173 0.000 1.287 182 S CA -0.500 57.797 58.200 0.161 0.000 0.990 182 S CB 0.282 63.505 63.200 0.038 0.000 0.950 182 S HN 0.473 nan 8.310 nan 0.000 0.561 183 Y N -0.033 120.197 120.300 -0.116 0.000 2.598 183 Y HA 0.602 5.152 4.550 0.000 0.000 0.340 183 Y C -2.353 173.312 175.900 -0.392 0.000 1.038 183 Y CA -2.371 55.620 58.100 -0.182 0.000 1.100 183 Y CB 0.854 39.254 38.460 -0.100 0.000 1.281 183 Y HN 0.511 nan 8.280 nan 0.000 0.488 184 P HA 0.062 nan 4.420 nan 0.000 0.274 184 P C -0.756 175.872 177.300 -1.120 0.000 1.231 184 P CA -0.276 62.504 63.100 -0.533 0.000 0.790 184 P CB 0.645 32.184 31.700 -0.268 0.000 0.951 185 D N 2.769 122.685 120.400 -0.807 0.000 2.483 185 D HA 0.080 4.720 4.640 0.000 0.000 0.220 185 D C -0.351 175.525 176.300 -0.707 0.000 1.173 185 D CA -0.343 53.188 54.000 -0.781 0.000 0.964 185 D CB -0.113 40.453 40.800 -0.390 0.000 1.046 185 D HN 0.292 nan 8.370 nan 0.000 0.517 186 W N 2.293 123.294 121.300 -0.499 0.000 2.359 186 W HA 0.725 5.385 4.660 0.000 0.000 0.344 186 W C -0.402 175.983 176.519 -0.224 0.000 1.170 186 W CA -1.473 55.498 57.345 -0.622 0.000 1.296 186 W CB 0.821 30.010 29.460 -0.452 0.000 1.197 186 W HN 0.279 nan 8.180 nan 0.000 0.618 187 A N 1.833 124.750 122.820 0.161 0.000 2.565 187 A HA 0.333 4.653 4.320 0.000 0.000 0.298 187 A C -0.895 176.343 177.584 -0.576 0.000 1.062 187 A CA -0.957 51.055 52.037 -0.042 0.000 0.723 187 A CB 1.427 20.408 19.000 -0.032 0.000 1.282 187 A HN 0.681 nan 8.150 nan 0.000 0.400 188 Q N 0.814 120.154 119.800 -0.766 0.000 2.337 188 Q HA 0.581 4.921 4.340 0.000 0.000 0.270 188 Q C -1.162 174.644 176.000 -0.323 0.000 1.002 188 Q CA 0.582 55.789 55.803 -0.992 0.000 0.888 188 Q CB 0.477 28.974 28.738 -0.401 0.000 1.222 188 Q HN 0.857 nan 8.270 nan 0.000 0.400 189 F N 2.886 122.631 119.950 -0.341 0.000 2.518 189 F HA 0.490 5.017 4.527 0.000 0.000 0.323 189 F C -0.429 175.367 175.800 -0.007 0.000 1.129 189 F CA -0.248 57.686 58.000 -0.109 0.000 0.920 189 F CB 2.118 41.102 39.000 -0.027 0.000 1.160 189 F HN 0.829 nan 8.300 nan 0.000 0.440 190 S N 2.411 117.831 115.700 -0.466 0.000 3.021 190 S HA 0.331 4.801 4.470 0.000 0.000 0.252 190 S C -0.582 173.774 174.600 -0.407 0.000 0.996 190 S CA -0.637 57.417 58.200 -0.244 0.000 1.084 190 S CB -0.165 62.963 63.200 -0.120 0.000 1.021 190 S HN 0.492 nan 8.310 nan 0.000 0.566 191 E N 1.426 121.055 120.200 -0.952 0.000 2.314 191 E HA 0.437 4.787 4.350 0.000 0.000 0.262 191 E C 0.532 177.025 176.600 -0.179 0.000 1.093 191 E CA -0.556 55.451 56.400 -0.656 0.000 0.908 191 E CB 1.015 30.151 29.700 -0.941 0.000 1.091 191 E HN 0.169 nan 8.360 nan 0.000 0.425 192 S N 0.003 115.623 115.700 -0.135 0.000 2.481 192 S HA 0.016 4.486 4.470 0.000 0.000 0.231 192 S C 0.177 174.988 174.600 0.353 0.000 0.996 192 S CA 0.697 58.994 58.200 0.161 0.000 0.942 192 S CB -0.265 63.068 63.200 0.222 0.000 0.768 192 S HN 0.422 nan 8.310 nan 0.000 0.520 193 F N -0.997 119.035 119.950 0.136 0.000 2.678 193 F HA 0.599 5.126 4.527 0.000 0.000 0.308 193 F C -3.315 172.424 175.800 -0.102 0.000 1.118 193 F CA -3.114 54.805 58.000 -0.134 0.000 0.959 193 F CB 0.296 39.175 39.000 -0.200 0.000 1.305 193 F HN -0.318 nan 8.300 nan 0.000 0.443 194 P HA 0.071 nan 4.420 nan 0.000 0.266 194 P C -0.183 177.374 177.300 0.428 0.000 1.195 194 P CA 0.257 63.264 63.100 -0.155 0.000 0.768 194 P CB 1.565 33.084 31.700 -0.300 0.000 0.838 195 S N 1.308 117.302 115.700 0.491 0.000 2.559 195 S HA 0.304 4.774 4.470 0.000 0.000 0.226 195 S C 0.534 175.495 174.600 0.603 0.000 1.030 195 S CA -0.158 58.378 58.200 0.560 0.000 0.956 195 S CB -0.036 63.411 63.200 0.413 0.000 0.900 195 S HN 0.376 nan 8.310 nan 0.000 0.510 196 I N 0.062 120.953 120.570 0.535 0.000 2.894 196 I HA 0.337 4.507 4.170 0.000 0.000 0.302 196 I C -0.019 175.780 176.117 -0.530 0.000 1.188 196 I CA -0.626 60.720 61.300 0.077 0.000 1.014 196 I CB 1.813 39.858 38.000 0.075 0.000 1.242 196 I HN -0.215 nan 8.210 nan 0.000 0.430 197 D N 1.801 121.494 120.400 -1.179 0.000 2.350 197 D HA 0.000 4.640 4.640 0.000 0.000 0.216 197 D C 0.756 176.775 176.300 -0.469 0.000 0.968 197 D CA 0.690 53.905 54.000 -1.309 0.000 0.894 197 D CB 0.378 40.414 40.800 -1.274 0.000 0.909 197 D HN 0.128 nan 8.370 nan 0.000 0.520 198 V N 2.598 122.387 119.914 -0.209 0.000 3.061 198 V HA -0.026 4.094 4.120 0.000 0.000 0.306 198 V C -1.904 174.266 176.094 0.125 0.000 1.118 198 V CA -0.705 61.569 62.300 -0.042 0.000 1.231 198 V CB 0.735 32.520 31.823 -0.063 0.000 0.956 198 V HN 0.135 nan 8.190 nan 0.000 0.499 199 P HA 0.055 nan 4.420 nan 0.000 0.267 199 P C -1.365 176.085 177.300 0.250 0.000 1.209 199 P CA 0.231 63.466 63.100 0.226 0.000 0.763 199 P CB 0.025 31.870 31.700 0.241 0.000 0.816 200 Y N 3.273 123.640 120.300 0.112 0.000 2.417 200 Y HA 0.314 4.864 4.550 0.000 0.000 0.336 200 Y C 0.425 176.467 175.900 0.236 0.000 0.961 200 Y CA -0.651 57.524 58.100 0.124 0.000 1.215 200 Y CB 0.805 39.245 38.460 -0.033 0.000 1.120 200 Y HN 0.181 nan 8.280 nan 0.000 0.499 201 L N 3.705 125.175 121.223 0.411 0.000 2.312 201 L HA 0.332 4.672 4.340 0.000 0.000 0.281 201 L C 0.015 177.185 176.870 0.501 0.000 1.070 201 L CA -0.181 54.950 54.840 0.485 0.000 0.805 201 L CB 0.707 43.006 42.059 0.401 0.000 1.174 201 L HN 0.452 nan 8.230 nan 0.000 0.434 202 D N 1.993 122.716 120.400 0.538 0.000 2.392 202 D HA 0.395 5.035 4.640 0.000 0.000 0.228 202 D C -0.281 176.358 176.300 0.565 0.000 1.074 202 D CA -0.134 54.169 54.000 0.504 0.000 0.838 202 D CB 1.474 42.531 40.800 0.429 0.000 1.067 202 D HN 0.266 nan 8.370 nan 0.000 0.511 203 V N 1.806 121.989 119.914 0.448 0.000 2.872 203 V HA 0.335 4.455 4.120 0.000 0.000 0.367 203 V C 1.544 177.796 176.094 0.263 0.000 1.343 203 V CA -0.525 61.990 62.300 0.360 0.000 1.219 203 V CB 0.206 32.220 31.823 0.318 0.000 1.308 203 V HN 0.213 nan 8.190 nan 0.000 0.610 204 R N 2.161 122.704 120.500 0.072 0.000 2.083 204 R HA 0.005 4.345 4.340 0.000 0.000 0.237 204 R C -0.414 175.733 176.300 -0.256 0.000 1.137 204 R CA 2.439 58.444 56.100 -0.158 0.000 0.951 204 R CB -1.267 28.980 30.300 -0.088 0.000 0.851 204 R HN 0.564 nan 8.270 nan 0.000 0.434 205 P HA -0.011 nan 4.420 nan 0.000 0.241 205 P C -0.285 177.015 177.300 0.000 0.000 1.191 205 P CA 0.491 63.504 63.100 -0.145 0.000 0.771 205 P CB 0.169 31.744 31.700 -0.208 0.000 0.929 206 L N -0.500 120.776 121.223 0.088 0.000 2.439 206 L HA 0.273 4.613 4.340 0.000 0.000 0.261 206 L C 1.159 178.164 176.870 0.225 0.000 1.153 206 L CA 0.281 55.222 54.840 0.169 0.000 0.808 206 L CB 0.174 42.354 42.059 0.203 0.000 1.126 206 L HN -0.199 nan 8.230 nan 0.000 0.460 207 T N 0.088 114.740 114.554 0.162 0.000 2.904 207 T HA 0.125 4.475 4.350 0.000 0.000 0.290 207 T C 1.174 175.932 174.700 0.098 0.000 1.018 207 T CA -0.083 62.101 62.100 0.140 0.000 1.075 207 T CB 1.117 70.040 68.868 0.092 0.000 0.986 207 T HN 0.458 nan 8.240 nan 0.000 0.523 208 V N 4.017 123.966 119.914 0.058 0.000 2.278 208 V HA -0.174 3.946 4.120 0.000 0.000 0.251 208 V C 2.345 178.433 176.094 -0.010 0.000 1.062 208 V CA 2.965 65.244 62.300 -0.035 0.000 1.038 208 V CB -0.928 30.884 31.823 -0.017 0.000 0.646 208 V HN 1.120 nan 8.190 nan 0.000 0.447 209 T N -0.315 114.261 114.554 0.038 0.000 2.777 209 T HA -0.168 4.182 4.350 0.000 0.000 0.266 209 T C 1.701 176.464 174.700 0.105 0.000 1.040 209 T CA 1.826 63.966 62.100 0.066 0.000 1.141 209 T CB -0.294 68.606 68.868 0.052 0.000 0.868 209 T HN 0.674 nan 8.240 nan 0.000 0.444 210 E N 0.379 120.641 120.200 0.103 0.000 2.110 210 E HA -0.090 4.260 4.350 0.000 0.000 0.193 210 E C 2.304 179.012 176.600 0.179 0.000 0.988 210 E CA 0.816 57.315 56.400 0.165 0.000 0.804 210 E CB -0.160 29.627 29.700 0.146 0.000 0.745 210 E HN 0.239 nan 8.360 nan 0.000 0.458 211 V N 1.436 121.387 119.914 0.061 0.000 2.358 211 V HA -0.272 3.848 4.120 0.000 0.000 0.246 211 V C 1.693 177.745 176.094 -0.070 0.000 1.047 211 V CA 1.955 64.224 62.300 -0.051 0.000 1.035 211 V CB -0.595 31.104 31.823 -0.207 0.000 0.658 211 V HN 0.284 nan 8.190 nan 0.000 0.452 212 N N -0.427 118.259 118.700 -0.023 0.000 2.205 212 N HA -0.220 4.521 4.740 0.000 0.000 0.186 212 N C 1.714 177.282 175.510 0.096 0.000 1.015 212 N CA 1.497 54.547 53.050 0.001 0.000 0.862 212 N CB -0.238 38.321 38.487 0.121 0.000 0.986 212 N HN 0.533 nan 8.380 nan 0.000 0.429 213 F N 1.125 121.112 119.950 0.063 0.000 2.206 213 F HA -0.048 4.479 4.527 0.000 0.000 0.298 213 F C 1.780 177.655 175.800 0.126 0.000 1.090 213 F CA 0.797 58.905 58.000 0.181 0.000 1.323 213 F CB -0.290 38.831 39.000 0.202 0.000 1.028 213 F HN -0.204 nan 8.300 nan 0.000 0.492 214 V N 0.355 120.197 119.914 -0.121 0.000 2.548 214 V HA -0.223 3.897 4.120 0.000 0.000 0.249 214 V C 2.418 178.395 176.094 -0.196 0.000 1.055 214 V CA 0.919 63.053 62.300 -0.277 0.000 1.065 214 V CB -0.643 31.043 31.823 -0.228 0.000 0.681 214 V HN 0.299 nan 8.190 nan 0.000 0.462 215 L N -0.834 120.334 121.223 -0.091 0.000 2.217 215 L HA 0.022 4.362 4.340 0.000 0.000 0.211 215 L C 2.294 179.211 176.870 0.079 0.000 1.107 215 L CA 1.681 56.558 54.840 0.062 0.000 0.783 215 L CB -0.807 41.239 42.059 -0.021 0.000 0.919 215 L HN 0.339 nan 8.230 nan 0.000 0.442 216 M N -1.591 117.988 119.600 -0.035 0.000 2.236 216 M HA -0.074 4.406 4.480 0.000 0.000 0.266 216 M C 1.931 178.228 176.300 -0.005 0.000 1.070 216 M CA 1.032 56.317 55.300 -0.025 0.000 1.137 216 M CB -0.429 32.095 32.600 -0.127 0.000 1.378 216 M HN 0.161 nan 8.290 nan 0.000 0.426 217 M N -1.060 118.459 119.600 -0.135 0.000 2.492 217 M HA -0.011 4.469 4.480 0.000 0.000 0.262 217 M C 1.863 178.106 176.300 -0.096 0.000 1.090 217 M CA 0.963 56.198 55.300 -0.108 0.000 1.110 217 M CB -1.140 31.263 32.600 -0.329 0.000 1.407 217 M HN 0.220 nan 8.290 nan 0.000 0.470 218 M N -0.847 118.670 119.600 -0.138 0.000 2.556 218 M HA 0.104 4.584 4.480 0.000 0.000 0.245 218 M C 0.862 177.104 176.300 -0.096 0.000 1.128 218 M CA 0.277 55.445 55.300 -0.220 0.000 1.069 218 M CB 0.206 32.645 32.600 -0.268 0.000 1.469 218 M HN -0.058 nan 8.290 nan 0.000 0.494 219 S N -0.137 115.543 115.700 -0.033 0.000 2.566 219 S HA 0.277 4.747 4.470 0.000 0.000 0.277 219 S C -0.135 174.384 174.600 -0.136 0.000 1.150 219 S CA -0.742 57.397 58.200 -0.101 0.000 1.032 219 S CB 0.600 63.718 63.200 -0.136 0.000 1.157 219 S HN 0.291 nan 8.310 nan 0.000 0.507 220 K N -0.422 119.835 120.400 -0.237 0.000 2.258 220 K HA 0.121 4.441 4.320 0.000 0.000 0.264 220 K C -1.587 174.955 176.600 -0.096 0.000 1.007 220 K CA -0.047 56.120 56.287 -0.199 0.000 0.941 220 K CB 0.457 32.782 32.500 -0.291 0.000 0.966 220 K HN 0.542 nan 8.250 nan 0.000 0.480 221 W N 4.588 125.735 121.300 -0.255 0.000 2.475 221 W HA 0.234 4.894 4.660 0.000 0.000 0.320 221 W C -0.883 175.507 176.519 -0.216 0.000 1.022 221 W CA -0.614 56.641 57.345 -0.150 0.000 1.240 221 W CB 1.049 30.447 29.460 -0.104 0.000 1.328 221 W HN 0.551 nan 8.180 nan 0.000 0.439 222 H N 4.187 123.278 119.070 0.036 0.000 2.476 222 H HA 0.245 4.801 4.556 0.000 0.000 0.328 222 H C -0.088 175.344 175.328 0.173 0.000 1.073 222 H CA -0.763 55.355 56.048 0.117 0.000 1.229 222 H CB 1.643 31.402 29.762 -0.005 0.000 1.432 222 H HN 0.345 nan 8.280 nan 0.000 0.477 223 R N 3.045 123.853 120.500 0.513 0.000 2.387 223 R HA 0.004 4.344 4.340 0.000 0.000 0.321 223 R C 0.526 177.005 176.300 0.297 0.000 1.174 223 R CA -0.080 56.327 56.100 0.512 0.000 1.002 223 R CB 0.141 30.669 30.300 0.380 0.000 1.028 223 R HN 0.429 nan 8.270 nan 0.000 0.482 224 R N 1.050 121.693 120.500 0.239 0.000 2.210 224 R HA 0.045 4.385 4.340 0.000 0.000 0.203 224 R C 0.453 176.854 176.300 0.168 0.000 1.010 224 R CA 1.273 57.469 56.100 0.160 0.000 1.008 224 R CB 0.431 30.796 30.300 0.109 0.000 0.923 224 R HN 0.757 nan 8.270 nan 0.000 0.469 225 T N -3.484 111.186 114.554 0.194 0.000 2.804 225 T HA 0.317 4.667 4.350 0.000 0.000 0.272 225 T C 0.526 175.295 174.700 0.114 0.000 0.986 225 T CA -0.840 61.331 62.100 0.119 0.000 0.999 225 T CB 1.039 69.925 68.868 0.030 0.000 1.307 225 T HN -0.165 nan 8.240 nan 0.000 0.586 226 N N -0.136 118.605 118.700 0.069 0.000 2.299 226 N HA 0.191 4.931 4.740 0.000 0.000 0.187 226 N C -0.021 175.526 175.510 0.061 0.000 1.099 226 N CA -0.062 53.029 53.050 0.067 0.000 0.867 226 N CB -0.220 38.297 38.487 0.050 0.000 0.974 226 N HN 0.432 nan 8.380 nan 0.000 0.477 227 L N 1.114 122.370 121.223 0.055 0.000 2.485 227 L HA 0.039 4.379 4.340 0.000 0.000 0.275 227 L C 1.850 178.762 176.870 0.069 0.000 1.207 227 L CA 0.127 54.999 54.840 0.053 0.000 0.855 227 L CB -0.349 41.731 42.059 0.036 0.000 1.114 227 L HN 0.046 nan 8.230 nan 0.000 0.485 228 A N 4.764 127.619 122.820 0.059 0.000 1.908 228 A HA -0.171 4.149 4.320 0.000 0.000 0.218 228 A C 1.711 179.351 177.584 0.094 0.000 1.181 228 A CA 1.783 53.856 52.037 0.061 0.000 0.627 228 A CB -0.640 18.382 19.000 0.037 0.000 0.818 228 A HN 0.830 nan 8.150 nan 0.000 0.445 229 I N -3.245 117.364 120.570 0.065 0.000 3.550 229 I HA 0.106 4.276 4.170 0.000 0.000 0.295 229 I C 0.896 176.953 176.117 -0.100 0.000 1.291 229 I CA 1.459 62.786 61.300 0.046 0.000 1.298 229 I CB -0.357 37.632 38.000 -0.018 0.000 1.026 229 I HN 0.147 nan 8.210 nan 0.000 0.491 230 D N 0.570 120.955 120.400 -0.025 0.000 2.388 230 D HA 0.047 4.687 4.640 0.000 0.000 0.221 230 D C 0.545 176.751 176.300 -0.157 0.000 1.133 230 D CA -0.443 53.562 54.000 0.007 0.000 0.831 230 D CB 0.063 41.028 40.800 0.275 0.000 0.962 230 D HN 0.494 nan 8.370 nan 0.000 0.502 231 Y N 0.312 120.496 120.300 -0.193 0.000 2.903 231 Y HA 0.061 4.611 4.550 0.000 0.000 0.338 231 Y C 0.420 176.225 175.900 -0.158 0.000 1.265 231 Y CA -0.906 57.115 58.100 -0.132 0.000 1.532 231 Y CB 0.149 38.525 38.460 -0.141 0.000 1.293 231 Y HN -0.060 nan 8.280 nan 0.000 0.609 232 E N 2.803 123.153 120.200 0.250 0.000 2.289 232 E HA 0.599 4.949 4.350 0.000 0.000 0.278 232 E C -1.122 175.644 176.600 0.277 0.000 1.032 232 E CA -0.399 56.187 56.400 0.310 0.000 0.854 232 E CB 0.544 30.414 29.700 0.283 0.000 1.046 232 E HN 0.924 nan 8.360 nan 0.000 0.409 233 A N 4.925 127.865 122.820 0.200 0.000 2.515 233 A HA 0.693 5.013 4.320 0.000 0.000 0.296 233 A C -2.716 174.809 177.584 -0.099 0.000 1.094 233 A CA -1.657 50.403 52.037 0.039 0.000 0.718 233 A CB 1.526 20.556 19.000 0.050 0.000 1.307 233 A HN 0.580 nan 8.150 nan 0.000 0.408 234 P HA 0.295 nan 4.420 nan 0.000 0.293 234 P C -1.022 176.145 177.300 -0.221 0.000 1.304 234 P CA -0.461 62.497 63.100 -0.237 0.000 0.767 234 P CB 0.249 31.801 31.700 -0.247 0.000 1.247 235 Q N 0.556 120.241 119.800 -0.192 0.000 2.344 235 Q HA 0.139 4.479 4.340 0.000 0.000 0.253 235 Q C 0.627 176.532 176.000 -0.158 0.000 1.050 235 Q CA -0.608 55.093 55.803 -0.169 0.000 0.912 235 Q CB 0.175 28.809 28.738 -0.172 0.000 1.258 235 Q HN 0.125 nan 8.270 nan 0.000 0.443 236 L N 1.766 122.878 121.223 -0.184 0.000 2.095 236 L HA -0.248 4.092 4.340 0.000 0.000 0.229 236 L C 0.883 177.714 176.870 -0.066 0.000 1.097 236 L CA 2.493 57.233 54.840 -0.167 0.000 0.813 236 L CB -1.853 39.969 42.059 -0.396 0.000 0.907 236 L HN 0.896 nan 8.230 nan 0.000 0.445 237 A N -1.452 121.328 122.820 -0.067 0.000 2.374 237 A HA 0.442 4.762 4.320 0.000 0.000 0.305 237 A C 0.558 178.188 177.584 0.075 0.000 1.053 237 A CA -0.607 51.473 52.037 0.072 0.000 0.726 237 A CB 1.052 20.155 19.000 0.172 0.000 1.229 237 A HN 0.125 nan 8.150 nan 0.000 0.431 238 D N 0.630 121.039 120.400 0.015 0.000 2.178 238 D HA -0.014 4.626 4.640 0.000 0.000 0.202 238 D C 0.539 176.781 176.300 -0.097 0.000 0.974 238 D CA 1.698 55.664 54.000 -0.056 0.000 0.841 238 D CB 0.286 41.047 40.800 -0.064 0.000 0.953 238 D HN 0.635 nan 8.370 nan 0.000 0.478 239 K N -0.905 119.482 120.400 -0.021 0.000 2.562 239 K HA 0.390 4.710 4.320 0.000 0.000 0.267 239 K C -1.741 174.896 176.600 0.061 0.000 0.938 239 K CA -0.766 55.446 56.287 -0.126 0.000 0.840 239 K CB 1.468 33.877 32.500 -0.151 0.000 1.390 239 K HN -0.077 nan 8.250 nan 0.000 0.428 240 F N -0.480 119.415 119.950 -0.092 0.000 2.900 240 F HA 0.764 5.291 4.527 0.000 0.000 0.321 240 F C -2.039 173.693 175.800 -0.114 0.000 1.160 240 F CA -0.965 56.973 58.000 -0.103 0.000 0.890 240 F CB 0.623 39.622 39.000 -0.003 0.000 1.334 240 F HN 0.525 nan 8.300 nan 0.000 0.459 241 A N 0.700 123.519 122.820 -0.000 0.000 2.413 241 A HA 0.839 5.159 4.320 0.000 0.000 0.307 241 A C -2.088 175.624 177.584 0.214 0.000 1.087 241 A CA -0.746 51.207 52.037 -0.141 0.000 0.750 241 A CB 1.192 19.782 19.000 -0.683 0.000 1.296 241 A HN 1.461 nan 8.150 nan 0.000 0.423 242 Y N -0.473 119.971 120.300 0.240 0.000 2.361 242 Y HA 0.741 5.291 4.550 0.000 0.000 0.337 242 Y C -0.217 175.884 175.900 0.334 0.000 0.965 242 Y CA -1.055 57.234 58.100 0.315 0.000 1.091 242 Y CB 1.290 39.947 38.460 0.328 0.000 1.182 242 Y HN 0.691 nan 8.280 nan 0.000 0.450 243 R N 4.846 125.636 120.500 0.483 0.000 2.210 243 R HA 0.270 4.610 4.340 0.000 0.000 0.338 243 R C -1.234 175.340 176.300 0.456 0.000 1.062 243 R CA -0.056 56.304 56.100 0.433 0.000 0.902 243 R CB 0.010 30.560 30.300 0.416 0.000 1.050 243 R HN 0.960 nan 8.270 nan 0.000 0.461 244 H N 2.166 121.410 119.070 0.290 0.000 3.016 244 H HA 0.216 4.772 4.556 0.000 0.000 0.362 244 H C -0.165 175.258 175.328 0.159 0.000 1.233 244 H CA 0.131 56.329 56.048 0.250 0.000 1.124 244 H CB 2.299 32.272 29.762 0.351 0.000 1.850 244 H HN 0.599 nan 8.280 nan 0.000 0.549 245 A N 2.463 125.152 122.820 -0.220 0.000 2.076 245 A HA 0.005 4.325 4.320 0.000 0.000 0.220 245 A C 0.403 178.100 177.584 0.188 0.000 1.160 245 A CA 2.012 54.040 52.037 -0.016 0.000 0.653 245 A CB -0.455 18.469 19.000 -0.127 0.000 0.801 245 A HN 0.412 nan 8.150 nan 0.000 0.455 246 L N -6.266 115.231 121.223 0.457 0.000 2.669 246 L HA 0.644 4.984 4.340 0.000 0.000 0.255 246 L C -0.500 176.510 176.870 0.235 0.000 1.123 246 L CA -0.754 54.242 54.840 0.260 0.000 0.941 246 L CB 0.760 42.935 42.059 0.193 0.000 1.552 246 L HN -0.235 nan 8.230 nan 0.000 0.394 247 T N 0.562 115.189 114.554 0.121 0.000 2.882 247 T HA 0.714 5.064 4.350 0.000 0.000 0.287 247 T C -0.320 174.413 174.700 0.055 0.000 0.992 247 T CA -0.438 61.725 62.100 0.106 0.000 1.076 247 T CB 1.557 70.445 68.868 0.034 0.000 0.961 247 T HN 0.473 nan 8.240 nan 0.000 0.490 248 V N 3.351 123.299 119.914 0.055 0.000 2.483 248 V HA 0.317 4.437 4.120 0.000 0.000 0.295 248 V C 0.356 176.353 176.094 -0.162 0.000 1.035 248 V CA -0.484 61.754 62.300 -0.103 0.000 0.896 248 V CB 1.583 33.261 31.823 -0.242 0.000 0.986 248 V HN 0.960 nan 8.190 nan 0.000 0.447 249 Q N 0.746 120.447 119.800 -0.165 0.000 2.254 249 Q HA 0.088 4.428 4.340 0.000 0.000 0.259 249 Q C 1.168 177.033 176.000 -0.225 0.000 0.815 249 Q CA -0.293 55.389 55.803 -0.202 0.000 0.961 249 Q CB 0.438 29.096 28.738 -0.133 0.000 1.140 249 Q HN 0.733 nan 8.270 nan 0.000 0.502 250 D N 1.440 121.737 120.400 -0.170 0.000 2.228 250 D HA -0.154 4.486 4.640 0.000 0.000 0.203 250 D C 1.407 177.497 176.300 -0.350 0.000 0.988 250 D CA 1.475 55.391 54.000 -0.140 0.000 0.864 250 D CB 0.315 41.112 40.800 -0.003 0.000 0.928 250 D HN 0.354 nan 8.370 nan 0.000 0.469 251 A N -0.303 122.226 122.820 -0.485 0.000 2.014 251 A HA 0.014 4.334 4.320 0.000 0.000 0.210 251 A C 1.896 179.091 177.584 -0.649 0.000 1.188 251 A CA 0.614 52.117 52.037 -0.890 0.000 0.731 251 A CB 0.011 18.661 19.000 -0.583 0.000 0.858 251 A HN 0.020 nan 8.150 nan 0.000 0.464 252 D N 0.332 120.408 120.400 -0.539 0.000 2.144 252 D HA -0.134 4.506 4.640 0.000 0.000 0.199 252 D C 1.857 177.976 176.300 -0.302 0.000 0.984 252 D CA 1.517 55.232 54.000 -0.475 0.000 0.834 252 D CB -0.015 40.480 40.800 -0.510 0.000 0.955 252 D HN 0.647 nan 8.370 nan 0.000 0.465 253 E N -0.615 119.422 120.200 -0.272 0.000 2.106 253 E HA -0.175 4.175 4.350 0.000 0.000 0.192 253 E C 1.653 178.150 176.600 -0.172 0.000 0.984 253 E CA 0.539 56.828 56.400 -0.186 0.000 0.806 253 E CB -0.209 29.408 29.700 -0.137 0.000 0.750 253 E HN 0.459 nan 8.360 nan 0.000 0.458 254 W N 1.588 122.607 121.300 -0.469 0.000 2.374 254 W HA -0.078 4.582 4.660 0.000 0.000 0.288 254 W C 1.669 177.970 176.519 -0.364 0.000 1.218 254 W CA 1.223 58.304 57.345 -0.441 0.000 1.245 254 W CB 0.077 29.053 29.460 -0.806 0.000 1.126 254 W HN -0.064 nan 8.180 nan 0.000 0.545 255 I N 0.179 120.613 120.570 -0.228 0.000 2.876 255 I HA -0.125 4.045 4.170 0.000 0.000 0.264 255 I C 1.988 177.901 176.117 -0.340 0.000 1.204 255 I CA 0.712 61.777 61.300 -0.392 0.000 1.485 255 I CB -0.462 37.286 38.000 -0.420 0.000 1.103 255 I HN -0.154 nan 8.210 nan 0.000 0.446 256 E N 0.913 120.964 120.200 -0.248 0.000 2.285 256 E HA -0.000 4.350 4.350 0.000 0.000 0.194 256 E C 1.844 178.325 176.600 -0.199 0.000 0.997 256 E CA 0.953 57.242 56.400 -0.186 0.000 0.845 256 E CB 0.186 29.802 29.700 -0.139 0.000 0.782 256 E HN 0.533 nan 8.360 nan 0.000 0.491 257 G N 1.110 109.756 108.800 -0.257 0.000 2.238 257 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 257 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 257 G C 0.802 175.595 174.900 -0.178 0.000 0.996 257 G CA 0.372 45.325 45.100 -0.245 0.000 0.632 257 G HN 0.282 nan 8.290 nan 0.000 0.503 258 D N 0.588 120.904 120.400 -0.140 0.000 2.084 258 D HA -0.020 4.620 4.640 0.000 0.000 0.196 258 D C 1.507 177.768 176.300 -0.065 0.000 0.985 258 D CA 0.911 54.857 54.000 -0.090 0.000 0.826 258 D CB -0.001 40.753 40.800 -0.076 0.000 0.978 258 D HN 0.427 nan 8.370 nan 0.000 0.456 259 R N 1.237 121.702 120.500 -0.057 0.000 2.623 259 R HA 0.081 4.421 4.340 0.000 0.000 0.271 259 R C -0.263 176.078 176.300 0.068 0.000 1.043 259 R CA 0.210 56.331 56.100 0.035 0.000 1.083 259 R CB 0.442 30.794 30.300 0.087 0.000 0.974 259 R HN -0.154 nan 8.270 nan 0.000 0.436 260 T N 1.692 116.332 114.554 0.144 0.000 2.909 260 T HA 0.063 4.413 4.350 0.000 0.000 0.289 260 T C 0.764 175.672 174.700 0.346 0.000 1.005 260 T CA -0.590 61.602 62.100 0.153 0.000 1.084 260 T CB 0.819 69.752 68.868 0.109 0.000 0.975 260 T HN 0.616 nan 8.240 nan 0.000 0.509 261 D N 1.767 122.367 120.400 0.334 0.000 2.271 261 D HA -0.130 4.510 4.640 0.000 0.000 0.207 261 D C 1.476 178.016 176.300 0.400 0.000 0.983 261 D CA 1.106 55.451 54.000 0.576 0.000 0.878 261 D CB 0.222 41.244 40.800 0.370 0.000 0.920 261 D HN 0.701 nan 8.370 nan 0.000 0.479 262 D N -0.046 120.503 120.400 0.249 0.000 2.149 262 D HA -0.078 4.562 4.640 0.000 0.000 0.206 262 D C 1.713 178.109 176.300 0.160 0.000 0.967 262 D CA 0.388 54.481 54.000 0.155 0.000 0.848 262 D CB 0.279 41.138 40.800 0.099 0.000 0.998 262 D HN 0.196 nan 8.370 nan 0.000 0.474 263 Q N -0.849 119.067 119.800 0.193 0.000 2.291 263 Q HA -0.114 4.226 4.340 0.000 0.000 0.206 263 Q C 0.110 176.266 176.000 0.260 0.000 0.976 263 Q CA 0.695 56.609 55.803 0.185 0.000 0.875 263 Q CB 0.058 28.899 28.738 0.172 0.000 0.927 263 Q HN 0.179 nan 8.270 nan 0.000 0.450 264 F N 1.580 121.620 119.950 0.150 0.000 2.451 264 F HA 0.293 4.820 4.527 0.000 0.000 0.367 264 F C -0.420 175.492 175.800 0.186 0.000 1.100 264 F CA -1.073 56.976 58.000 0.082 0.000 1.171 264 F CB 0.333 39.286 39.000 -0.079 0.000 1.405 264 F HN -0.200 nan 8.300 nan 0.000 0.482 265 R N 3.801 124.231 120.500 -0.117 0.000 2.787 265 R HA 0.744 5.084 4.340 0.000 0.000 0.271 265 R C -3.023 173.009 176.300 -0.446 0.000 0.993 265 R CA -2.266 53.717 56.100 -0.195 0.000 0.993 265 R CB 0.761 30.965 30.300 -0.160 0.000 1.155 265 R HN 0.184 nan 8.270 nan 0.000 0.486 266 P HA 0.089 nan 4.420 nan 0.000 0.266 266 P C -2.261 174.717 177.300 -0.537 0.000 1.215 266 P CA -0.751 61.602 63.100 -1.245 0.000 0.763 266 P CB 0.153 31.112 31.700 -1.235 0.000 0.806 267 P HA -0.025 nan 4.420 nan 0.000 0.271 267 P C 0.058 177.200 177.300 -0.263 0.000 1.233 267 P CA -0.046 62.905 63.100 -0.248 0.000 0.789 267 P CB 0.305 31.892 31.700 -0.188 0.000 0.951 268 S N -0.237 115.350 115.700 -0.190 0.000 2.572 268 S HA -0.006 4.464 4.470 0.000 0.000 0.267 268 S C 1.538 176.036 174.600 -0.170 0.000 1.361 268 S CA 0.241 58.343 58.200 -0.163 0.000 1.009 268 S CB -0.360 62.775 63.200 -0.108 0.000 0.888 268 S HN 0.586 nan 8.310 nan 0.000 0.553 269 S N 0.484 116.096 115.700 -0.147 0.000 2.447 269 S HA -0.123 4.347 4.470 0.000 0.000 0.233 269 S C 1.622 176.295 174.600 0.121 0.000 1.006 269 S CA 0.896 59.052 58.200 -0.073 0.000 0.957 269 S CB -0.482 62.528 63.200 -0.317 0.000 0.773 269 S HN 0.810 nan 8.310 nan 0.000 0.507 270 K N 0.801 121.216 120.400 0.025 0.000 2.031 270 K HA 0.050 4.370 4.320 0.000 0.000 0.205 270 K C 2.042 178.643 176.600 0.001 0.000 1.049 270 K CA 1.351 57.657 56.287 0.033 0.000 0.939 270 K CB -0.428 32.074 32.500 0.003 0.000 0.717 270 K HN 0.291 nan 8.250 nan 0.000 0.438 271 V N 1.084 120.971 119.914 -0.044 0.000 2.871 271 V HA -0.117 4.003 4.120 0.000 0.000 0.256 271 V C 2.009 178.035 176.094 -0.113 0.000 1.082 271 V CA 1.104 63.369 62.300 -0.058 0.000 1.105 271 V CB -0.189 31.590 31.823 -0.073 0.000 0.713 271 V HN 0.370 nan 8.190 nan 0.000 0.473 272 M N -0.982 118.504 119.600 -0.190 0.000 2.193 272 M HA -0.042 4.438 4.480 0.000 0.000 0.265 272 M C 2.035 178.324 176.300 -0.017 0.000 1.071 272 M CA 1.859 56.944 55.300 -0.358 0.000 1.140 272 M CB -0.116 32.264 32.600 -0.367 0.000 1.369 272 M HN 0.416 nan 8.290 nan 0.000 0.423 273 L N -0.224 121.010 121.223 0.018 0.000 2.240 273 L HA -0.098 4.242 4.340 0.000 0.000 0.211 273 L C 2.475 179.353 176.870 0.013 0.000 1.106 273 L CA 1.244 56.044 54.840 -0.066 0.000 0.793 273 L CB -0.119 41.814 42.059 -0.211 0.000 0.927 273 L HN 0.294 nan 8.230 nan 0.000 0.446 274 S N -0.650 115.069 115.700 0.032 0.000 2.461 274 S HA 0.039 4.509 4.470 0.000 0.000 0.228 274 S C 1.950 176.625 174.600 0.124 0.000 1.005 274 S CA 0.494 58.731 58.200 0.061 0.000 0.942 274 S CB -0.283 62.943 63.200 0.043 0.000 0.776 274 S HN 0.443 nan 8.310 nan 0.000 0.514 275 A N 1.214 124.125 122.820 0.151 0.000 2.021 275 A HA 0.396 4.716 4.320 0.000 0.000 0.216 275 A C 2.109 179.880 177.584 0.312 0.000 1.163 275 A CA 0.558 52.736 52.037 0.234 0.000 0.676 275 A CB -0.522 18.656 19.000 0.297 0.000 0.818 275 A HN 0.512 nan 8.150 nan 0.000 0.453 276 L N -1.166 120.244 121.223 0.311 0.000 2.162 276 L HA 0.019 4.359 4.340 0.000 0.000 0.205 276 L C 2.658 179.753 176.870 0.375 0.000 1.086 276 L CA 1.059 56.129 54.840 0.384 0.000 0.778 276 L CB -0.214 42.066 42.059 0.368 0.000 0.928 276 L HN 0.462 nan 8.230 nan 0.000 0.446 277 R N 0.007 120.671 120.500 0.273 0.000 2.075 277 R HA -0.165 4.175 4.340 0.000 0.000 0.232 277 R C 2.206 178.722 176.300 0.360 0.000 1.126 277 R CA 1.344 57.636 56.100 0.320 0.000 0.963 277 R CB 0.013 30.366 30.300 0.089 0.000 0.858 277 R HN 0.241 nan 8.270 nan 0.000 0.435 278 K N -0.749 119.811 120.400 0.267 0.000 2.097 278 K HA -0.191 4.129 4.320 0.000 0.000 0.205 278 K C 1.935 178.698 176.600 0.272 0.000 1.050 278 K CA 1.552 57.982 56.287 0.238 0.000 0.938 278 K CB -0.219 32.400 32.500 0.197 0.000 0.718 278 K HN 0.270 nan 8.250 nan 0.000 0.442 279 Y N 0.838 121.236 120.300 0.163 0.000 2.133 279 Y HA -0.232 4.318 4.550 0.000 0.000 0.287 279 Y C 2.017 177.928 175.900 0.019 0.000 1.134 279 Y CA 0.987 59.169 58.100 0.137 0.000 1.133 279 Y CB 0.108 38.669 38.460 0.168 0.000 0.987 279 Y HN -0.252 nan 8.280 nan 0.000 0.502 280 V N 0.923 120.771 119.914 -0.110 0.000 2.626 280 V HA -0.295 3.825 4.120 0.000 0.000 0.252 280 V C 1.969 177.560 176.094 -0.838 0.000 1.067 280 V CA 2.123 64.092 62.300 -0.553 0.000 1.081 280 V CB -0.867 30.595 31.823 -0.602 0.000 0.686 280 V HN 0.530 nan 8.190 nan 0.000 0.468 281 N N -0.412 118.062 118.700 -0.377 0.000 2.171 281 N HA -0.220 4.521 4.740 0.000 0.000 0.184 281 N C 2.038 177.451 175.510 -0.161 0.000 1.021 281 N CA 1.224 54.156 53.050 -0.197 0.000 0.854 281 N CB -0.017 38.610 38.487 0.234 0.000 0.994 281 N HN 0.624 nan 8.380 nan 0.000 0.426 282 H N 0.976 119.949 119.070 -0.161 0.000 2.326 282 H HA 0.102 4.658 4.556 0.000 0.000 0.301 282 H C 1.445 176.646 175.328 -0.213 0.000 1.081 282 H CA 1.811 57.794 56.048 -0.108 0.000 1.334 282 H CB -0.213 29.542 29.762 -0.011 0.000 1.385 282 H HN 0.261 nan 8.280 nan 0.000 0.504 283 N N 0.363 118.794 118.700 -0.448 0.000 2.515 283 N HA -0.038 4.702 4.740 0.000 0.000 0.185 283 N C -0.232 174.936 175.510 -0.571 0.000 1.109 283 N CA 0.452 53.169 53.050 -0.555 0.000 0.903 283 N CB 0.292 38.348 38.487 -0.717 0.000 0.969 283 N HN 0.267 nan 8.380 nan 0.000 0.450 284 R N 0.233 120.295 120.500 -0.731 0.000 3.422 284 R HA -0.147 4.193 4.340 0.000 0.000 0.267 284 R C -0.026 175.743 176.300 -0.885 0.000 1.074 284 R CA 0.121 55.622 56.100 -0.999 0.000 0.718 284 R CB -2.192 27.877 30.300 -0.385 0.000 1.157 284 R HN 0.264 nan 8.270 nan 0.000 0.440 285 L N -0.495 120.190 121.223 -0.897 0.000 2.645 285 L HA 0.082 4.422 4.340 0.000 0.000 0.234 285 L C 1.371 178.037 176.870 -0.339 0.000 1.165 285 L CA -0.071 54.464 54.840 -0.508 0.000 0.944 285 L CB -0.330 41.456 42.059 -0.456 0.000 1.149 285 L HN 0.264 nan 8.230 nan 0.000 0.446 286 Y N 0.060 120.155 120.300 -0.340 0.000 2.062 286 Y HA -0.399 4.151 4.550 0.000 0.000 0.273 286 Y C 2.402 178.366 175.900 0.106 0.000 1.206 286 Y CA 1.585 59.521 58.100 -0.273 0.000 1.125 286 Y CB -0.729 37.498 38.460 -0.389 0.000 0.951 286 Y HN 0.341 nan 8.280 nan 0.000 0.501 287 N N -0.050 118.796 118.700 0.243 0.000 2.104 287 N HA -0.175 4.565 4.740 0.000 0.000 0.190 287 N C 1.715 177.442 175.510 0.361 0.000 1.024 287 N CA 1.605 54.864 53.050 0.349 0.000 0.853 287 N CB -0.453 38.202 38.487 0.281 0.000 1.008 287 N HN 0.535 nan 8.380 nan 0.000 0.424 288 Q N -1.115 118.798 119.800 0.188 0.000 2.187 288 Q HA 0.057 4.397 4.340 0.000 0.000 0.199 288 Q C 1.591 177.697 176.000 0.176 0.000 0.957 288 Q CA 0.458 56.325 55.803 0.106 0.000 0.857 288 Q CB -0.076 28.690 28.738 0.046 0.000 0.929 288 Q HN 0.381 nan 8.270 nan 0.000 0.453 289 F N -0.222 119.788 119.950 0.100 0.000 2.186 289 F HA -0.251 4.276 4.527 0.000 0.000 0.299 289 F C 1.972 177.911 175.800 0.232 0.000 1.090 289 F CA 1.191 59.292 58.000 0.168 0.000 1.307 289 F CB -0.162 38.948 39.000 0.182 0.000 1.019 289 F HN 0.127 nan 8.300 nan 0.000 0.489 290 Y N 1.108 121.562 120.300 0.258 0.000 2.242 290 Y HA -0.158 4.392 4.550 0.000 0.000 0.291 290 Y C 2.266 178.160 175.900 -0.009 0.000 1.137 290 Y CA 2.167 60.361 58.100 0.156 0.000 1.181 290 Y CB -0.989 37.654 38.460 0.305 0.000 0.989 290 Y HN 0.043 nan 8.280 nan 0.000 0.527 291 T N 0.636 115.110 114.554 -0.134 0.000 2.821 291 T HA -0.102 4.248 4.350 0.000 0.000 0.267 291 T C 2.143 176.676 174.700 -0.278 0.000 1.046 291 T CA 1.274 63.200 62.100 -0.290 0.000 1.139 291 T CB -0.692 68.068 68.868 -0.181 0.000 0.871 291 T HN 0.470 nan 8.240 nan 0.000 0.454 292 A N 1.690 124.386 122.820 -0.207 0.000 1.855 292 A HA 0.268 4.588 4.320 0.000 0.000 0.215 292 A C 2.673 180.123 177.584 -0.224 0.000 1.191 292 A CA 1.614 53.547 52.037 -0.172 0.000 0.613 292 A CB -1.208 17.735 19.000 -0.094 0.000 0.829 292 A HN 0.487 nan 8.150 nan 0.000 0.442 293 A N -0.983 121.620 122.820 -0.361 0.000 2.019 293 A HA -0.174 4.146 4.320 0.000 0.000 0.219 293 A C 2.113 179.568 177.584 -0.215 0.000 1.164 293 A CA 2.071 53.930 52.037 -0.297 0.000 0.644 293 A CB -0.448 18.294 19.000 -0.430 0.000 0.805 293 A HN 0.611 nan 8.150 nan 0.000 0.449 294 Q N -0.183 119.418 119.800 -0.331 0.000 2.049 294 Q HA 0.008 4.348 4.340 0.000 0.000 0.198 294 Q C 1.836 177.757 176.000 -0.133 0.000 0.971 294 Q CA 1.504 57.130 55.803 -0.296 0.000 0.833 294 Q CB -0.337 28.057 28.738 -0.574 0.000 0.896 294 Q HN 0.630 nan 8.270 nan 0.000 0.434 295 L N -0.199 120.922 121.223 -0.169 0.000 2.109 295 L HA -0.086 4.254 4.340 0.000 0.000 0.207 295 L C 2.202 179.018 176.870 -0.089 0.000 1.086 295 L CA 0.466 55.227 54.840 -0.132 0.000 0.760 295 L CB -0.389 41.561 42.059 -0.182 0.000 0.910 295 L HN 0.321 nan 8.230 nan 0.000 0.437 296 L N 0.160 121.341 121.223 -0.070 0.000 2.141 296 L HA -0.067 4.273 4.340 0.000 0.000 0.209 296 L C 2.493 179.355 176.870 -0.013 0.000 1.094 296 L CA 1.777 56.599 54.840 -0.030 0.000 0.763 296 L CB -0.507 41.547 42.059 -0.009 0.000 0.908 296 L HN 0.113 nan 8.230 nan 0.000 0.437 297 A N -1.395 121.442 122.820 0.029 0.000 2.016 297 A HA -0.145 4.175 4.320 0.000 0.000 0.217 297 A C 2.166 179.781 177.584 0.050 0.000 1.162 297 A CA 1.167 53.259 52.037 0.091 0.000 0.662 297 A CB -0.395 18.781 19.000 0.294 0.000 0.812 297 A HN 0.609 nan 8.150 nan 0.000 0.450 298 Q N -0.514 119.309 119.800 0.038 0.000 2.230 298 Q HA -0.043 4.297 4.340 0.000 0.000 0.202 298 Q C 1.588 177.615 176.000 0.045 0.000 0.963 298 Q CA 1.293 57.111 55.803 0.025 0.000 0.866 298 Q CB -0.055 28.696 28.738 0.022 0.000 0.931 298 Q HN 0.857 nan 8.270 nan 0.000 0.452 299 I N -2.558 118.023 120.570 0.018 0.000 4.082 299 I HA 0.135 4.305 4.170 0.000 0.000 0.337 299 I C 1.523 177.653 176.117 0.022 0.000 1.352 299 I CA 0.235 61.548 61.300 0.022 0.000 1.097 299 I CB -0.465 37.514 38.000 -0.035 0.000 1.048 299 I HN 0.170 nan 8.210 nan 0.000 0.393 300 M N 1.886 121.494 119.600 0.014 0.000 2.088 300 M HA -0.124 4.356 4.480 0.000 0.000 0.256 300 M C 0.908 177.236 176.300 0.046 0.000 1.071 300 M CA 2.234 57.540 55.300 0.010 0.000 1.097 300 M CB 0.161 32.752 32.600 -0.015 0.000 1.315 300 M HN 0.572 nan 8.290 nan 0.000 0.406 301 M N -1.644 117.991 119.600 0.060 0.000 2.880 301 M HA 0.441 4.921 4.480 0.000 0.000 0.269 301 M C -2.013 174.361 176.300 0.123 0.000 1.248 301 M CA -0.717 54.646 55.300 0.106 0.000 0.821 301 M CB 1.678 34.390 32.600 0.185 0.000 1.650 301 M HN -0.070 nan 8.290 nan 0.000 0.479 302 K N 1.170 121.641 120.400 0.119 0.000 2.427 302 K HA 0.695 5.015 4.320 0.000 0.000 0.252 302 K C -2.813 173.842 176.600 0.091 0.000 0.931 302 K CA -1.547 54.802 56.287 0.102 0.000 0.793 302 K CB 2.806 35.226 32.500 -0.133 0.000 1.211 302 K HN 0.386 nan 8.250 nan 0.000 0.426 303 P HA 0.084 nan 4.420 nan 0.000 0.282 303 P C -0.491 176.613 177.300 -0.327 0.000 1.274 303 P CA -0.498 62.351 63.100 -0.418 0.000 0.770 303 P CB 0.650 32.033 31.700 -0.528 0.000 0.867 304 V N 6.913 126.586 119.914 -0.401 0.000 2.572 304 V HA 0.166 4.286 4.120 0.000 0.000 0.291 304 V C -1.592 174.327 176.094 -0.291 0.000 1.039 304 V CA -1.180 60.917 62.300 -0.338 0.000 1.055 304 V CB 0.185 31.855 31.823 -0.256 0.000 0.969 304 V HN 0.566 nan 8.190 nan 0.000 0.482 305 P HA 0.296 nan 4.420 nan 0.000 0.278 305 P C -0.356 176.977 177.300 0.054 0.000 1.258 305 P CA -0.668 62.349 63.100 -0.138 0.000 0.811 305 P CB 0.993 32.598 31.700 -0.159 0.000 1.063 306 N N -1.111 117.661 118.700 0.120 0.000 2.275 306 N HA 0.195 4.935 4.740 0.000 0.000 0.236 306 N C -0.674 174.961 175.510 0.209 0.000 1.154 306 N CA -0.299 52.905 53.050 0.257 0.000 0.866 306 N CB -0.039 38.622 38.487 0.290 0.000 1.093 306 N HN 0.485 nan 8.380 nan 0.000 0.515 307 C N -3.270 115.913 119.300 -0.194 0.000 2.994 307 C HA 0.755 5.215 4.460 0.000 0.000 0.305 307 C C 1.678 176.233 174.990 -0.725 0.000 1.251 307 C CA -1.104 57.671 59.018 -0.405 0.000 1.478 307 C CB 0.889 28.567 27.740 -0.104 0.000 1.922 307 C HN 0.140 nan 8.230 nan 0.000 0.472 308 A N 1.083 123.560 122.820 -0.571 0.000 1.933 308 A HA -0.106 4.214 4.320 0.000 0.000 0.218 308 A C 2.131 179.717 177.584 0.003 0.000 1.175 308 A CA 2.044 53.954 52.037 -0.213 0.000 0.628 308 A CB -0.515 18.659 19.000 0.290 0.000 0.814 308 A HN 1.001 nan 8.150 nan 0.000 0.444 309 E N -0.201 120.003 120.200 0.007 0.000 2.106 309 E HA -0.115 4.235 4.350 0.000 0.000 0.192 309 E C 1.939 178.554 176.600 0.024 0.000 0.984 309 E CA 1.302 57.715 56.400 0.022 0.000 0.806 309 E CB -1.031 28.646 29.700 -0.039 0.000 0.750 309 E HN 0.459 nan 8.360 nan 0.000 0.458 310 G N -0.017 108.773 108.800 -0.016 0.000 2.509 310 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 310 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 310 G C 0.876 175.808 174.900 0.053 0.000 1.124 310 G CA 0.098 45.184 45.100 -0.024 0.000 0.776 310 G HN 0.188 nan 8.290 nan 0.000 0.547 311 Y N 0.941 121.200 120.300 -0.068 0.000 2.632 311 Y HA 0.213 4.763 4.550 0.000 0.000 0.301 311 Y C 2.669 178.591 175.900 0.038 0.000 1.172 311 Y CA 0.034 58.120 58.100 -0.022 0.000 1.328 311 Y CB 0.112 38.544 38.460 -0.046 0.000 1.016 311 Y HN 0.261 nan 8.280 nan 0.000 0.529 312 A N -0.860 122.070 122.820 0.183 0.000 2.119 312 A HA -0.154 4.166 4.320 0.000 0.000 0.216 312 A C 2.056 179.808 177.584 0.280 0.000 1.152 312 A CA 0.541 52.688 52.037 0.183 0.000 0.708 312 A CB -0.960 18.146 19.000 0.177 0.000 0.805 312 A HN 0.805 nan 8.150 nan 0.000 0.460 313 W N 0.452 121.748 121.300 -0.008 0.000 2.418 313 W HA -0.082 4.578 4.660 0.000 0.000 0.292 313 W C 0.951 177.453 176.519 -0.028 0.000 1.213 313 W CA 0.974 58.292 57.345 -0.045 0.000 1.283 313 W CB 0.012 29.386 29.460 -0.144 0.000 1.119 313 W HN 0.270 nan 8.180 nan 0.000 0.542 314 L N 0.588 121.713 121.223 -0.163 0.000 2.478 314 L HA -0.150 4.190 4.340 0.000 0.000 0.223 314 L C 2.410 179.182 176.870 -0.164 0.000 1.140 314 L CA 0.206 54.874 54.840 -0.286 0.000 0.842 314 L CB -0.656 41.259 42.059 -0.241 0.000 0.953 314 L HN 0.012 nan 8.230 nan 0.000 0.452 315 M N -1.097 118.450 119.600 -0.088 0.000 2.288 315 M HA -0.013 4.467 4.480 0.000 0.000 0.266 315 M C 0.521 176.683 176.300 -0.230 0.000 1.072 315 M CA 1.041 56.258 55.300 -0.139 0.000 1.132 315 M CB -0.466 32.035 32.600 -0.164 0.000 1.386 315 M HN 0.235 nan 8.290 nan 0.000 0.432 316 H N 0.377 119.424 119.070 -0.038 0.000 2.483 316 H HA 0.241 4.797 4.556 0.000 0.000 0.338 316 H C -0.673 174.672 175.328 0.027 0.000 1.152 316 H CA -0.393 55.676 56.048 0.034 0.000 1.264 316 H CB 0.888 30.748 29.762 0.164 0.000 1.510 316 H HN -0.008 nan 8.280 nan 0.000 0.530 317 D N 0.430 120.929 120.400 0.165 0.000 2.269 317 D HA 0.431 5.071 4.640 0.000 0.000 0.244 317 D C -0.389 175.753 176.300 -0.263 0.000 0.992 317 D CA -0.691 53.309 54.000 0.000 0.000 0.894 317 D CB 1.870 42.641 40.800 -0.048 0.000 1.248 317 D HN 0.616 nan 8.370 nan 0.000 0.468 318 A N 1.454 123.976 122.820 -0.496 0.000 2.327 318 A HA 0.428 4.748 4.320 0.000 0.000 0.283 318 A C -0.291 177.009 177.584 -0.472 0.000 1.127 318 A CA -0.506 50.986 52.037 -0.909 0.000 0.810 318 A CB 0.423 19.034 19.000 -0.649 0.000 1.066 318 A HN 0.582 nan 8.150 nan 0.000 0.492 319 L N 4.402 125.368 121.223 -0.428 0.000 2.264 319 L HA 0.517 4.857 4.340 0.000 0.000 0.287 319 L C -0.357 176.378 176.870 -0.224 0.000 1.039 319 L CA -0.684 54.001 54.840 -0.257 0.000 0.829 319 L CB 0.927 42.879 42.059 -0.178 0.000 1.211 319 L HN 0.661 nan 8.230 nan 0.000 0.427 320 V N 2.126 121.854 119.914 -0.309 0.000 2.630 320 V HA 0.502 4.622 4.120 0.000 0.000 0.305 320 V C -0.539 175.225 176.094 -0.550 0.000 1.046 320 V CA -0.697 61.358 62.300 -0.408 0.000 0.934 320 V CB 1.797 33.355 31.823 -0.441 0.000 1.003 320 V HN 0.853 nan 8.190 nan 0.000 0.451 321 N N 4.064 122.312 118.700 -0.754 0.000 2.564 321 N HA 0.465 5.205 4.740 0.000 0.000 0.248 321 N C -1.107 174.018 175.510 -0.642 0.000 0.986 321 N CA -0.740 51.863 53.050 -0.745 0.000 0.921 321 N CB 0.832 38.725 38.487 -0.991 0.000 1.136 321 N HN 0.692 nan 8.380 nan 0.000 0.509 322 I N 4.153 124.313 120.570 -0.683 0.000 2.353 322 I HA 0.374 4.544 4.170 0.000 0.000 0.293 322 I C -2.089 173.881 176.117 -0.245 0.000 0.992 322 I CA -2.697 58.279 61.300 -0.541 0.000 1.268 322 I CB 0.762 38.269 38.000 -0.821 0.000 1.387 322 I HN 0.345 nan 8.210 nan 0.000 0.478 323 P HA 0.155 nan 4.420 nan 0.000 0.271 323 P C -0.301 177.153 177.300 0.257 0.000 1.216 323 P CA -0.394 62.770 63.100 0.107 0.000 0.771 323 P CB 0.654 32.435 31.700 0.135 0.000 0.864 324 K N 1.872 122.440 120.400 0.279 0.000 2.344 324 K HA 0.055 4.375 4.320 0.000 0.000 0.260 324 K C 0.317 177.154 176.600 0.394 0.000 0.988 324 K CA 0.098 56.563 56.287 0.297 0.000 0.909 324 K CB 0.027 32.596 32.500 0.114 0.000 0.968 324 K HN 0.378 nan 8.250 nan 0.000 0.505 325 F N 0.418 120.480 119.950 0.187 0.000 2.443 325 F HA 0.351 4.878 4.527 0.000 0.000 0.353 325 F C 0.482 176.404 175.800 0.204 0.000 1.101 325 F CA 0.431 58.507 58.000 0.127 0.000 1.226 325 F CB 0.886 39.882 39.000 -0.006 0.000 1.140 325 F HN 0.470 nan 8.300 nan 0.000 0.557 326 G N 2.839 111.149 108.800 -0.817 0.000 2.719 326 G HA2 0.506 4.466 3.960 0.000 0.000 0.298 326 G HA3 0.506 4.466 3.960 0.000 0.000 0.298 326 G C -1.927 172.360 174.900 -1.022 0.000 1.411 326 G CA -0.711 44.088 45.100 -0.502 0.000 0.991 326 G HN 0.739 nan 8.290 nan 0.000 0.509 327 S N 0.441 115.870 115.700 -0.452 0.000 2.572 327 S HA 0.573 5.043 4.470 0.000 0.000 0.274 327 S C 0.269 174.938 174.600 0.114 0.000 1.150 327 S CA -0.613 57.451 58.200 -0.227 0.000 0.944 327 S CB 0.883 64.068 63.200 -0.026 0.000 1.071 327 S HN 1.142 nan 8.310 nan 0.000 0.479 328 I N 1.792 122.481 120.570 0.198 0.000 4.620 328 I HA 0.341 4.511 4.170 0.000 0.000 0.347 328 I C 1.291 177.549 176.117 0.234 0.000 1.302 328 I CA -0.448 61.003 61.300 0.253 0.000 1.277 328 I CB 0.109 38.319 38.000 0.350 0.000 1.566 328 I HN 0.392 nan 8.210 nan 0.000 0.547 329 R N 2.134 122.768 120.500 0.224 0.000 2.148 329 R HA 0.099 4.439 4.340 0.000 0.000 0.227 329 R C 1.858 178.261 176.300 0.171 0.000 1.103 329 R CA 1.430 57.617 56.100 0.144 0.000 0.983 329 R CB -0.194 30.151 30.300 0.074 0.000 0.874 329 R HN 0.512 nan 8.270 nan 0.000 0.451 330 G N 0.563 109.522 108.800 0.266 0.000 3.284 330 G HA2 -0.026 3.934 3.960 0.000 0.000 0.236 330 G HA3 -0.026 3.934 3.960 0.000 0.000 0.236 330 G C 1.205 176.244 174.900 0.230 0.000 1.158 330 G CA -0.422 44.862 45.100 0.306 0.000 0.774 330 G HN 0.091 nan 8.290 nan 0.000 0.545 331 R N -0.678 119.841 120.500 0.031 0.000 2.115 331 R HA 0.072 4.412 4.340 0.000 0.000 0.226 331 R C -0.293 175.689 176.300 -0.530 0.000 1.100 331 R CA 0.666 56.479 56.100 -0.479 0.000 0.980 331 R CB 0.011 30.079 30.300 -0.387 0.000 0.875 331 R HN 0.443 nan 8.270 nan 0.000 0.445 332 Y N -0.683 119.577 120.300 -0.066 0.000 2.512 332 Y HA 0.265 4.815 4.550 0.000 0.000 0.348 332 Y C -1.782 174.051 175.900 -0.111 0.000 0.990 332 Y CA -2.615 55.388 58.100 -0.161 0.000 1.033 332 Y CB 2.102 40.117 38.460 -0.742 0.000 1.259 332 Y HN -0.152 nan 8.280 nan 0.000 0.461 333 P HA 0.012 nan 4.420 nan 0.000 0.249 333 P C -0.029 177.446 177.300 0.292 0.000 1.241 333 P CA 0.786 64.052 63.100 0.276 0.000 0.781 333 P CB -0.301 31.587 31.700 0.313 0.000 1.088 334 F N -4.840 115.171 119.950 0.102 0.000 2.825 334 F HA 0.389 4.916 4.527 0.000 0.000 0.322 334 F C 1.042 176.815 175.800 -0.046 0.000 1.127 334 F CA -0.532 57.485 58.000 0.028 0.000 1.164 334 F CB -0.736 38.249 39.000 -0.026 0.000 1.101 334 F HN -0.363 nan 8.300 nan 0.000 0.529 335 L N 1.070 122.055 121.223 -0.398 0.000 2.179 335 L HA 0.142 4.482 4.340 0.000 0.000 0.208 335 L C 1.593 178.426 176.870 -0.061 0.000 1.096 335 L CA 1.489 56.150 54.840 -0.298 0.000 0.779 335 L CB -0.513 41.409 42.059 -0.228 0.000 0.922 335 L HN 0.360 nan 8.230 nan 0.000 0.443 336 L N -1.117 120.066 121.223 -0.068 0.000 2.728 336 L HA 0.171 4.511 4.340 0.000 0.000 0.235 336 L C 1.008 177.856 176.870 -0.037 0.000 1.197 336 L CA -0.259 54.506 54.840 -0.124 0.000 0.992 336 L CB -0.501 41.337 42.059 -0.367 0.000 1.263 336 L HN 0.200 nan 8.230 nan 0.000 0.484 337 S N -1.415 114.338 115.700 0.088 0.000 2.690 337 S HA 0.814 5.284 4.470 0.000 0.000 0.285 337 S C 0.900 175.579 174.600 0.131 0.000 1.135 337 S CA 0.072 58.354 58.200 0.137 0.000 1.020 337 S CB 1.844 65.179 63.200 0.224 0.000 1.159 337 S HN 0.342 nan 8.310 nan 0.000 0.534 338 G N 0.788 109.655 108.800 0.112 0.000 2.591 338 G HA2 -0.207 3.753 3.960 0.000 0.000 0.298 338 G HA3 -0.207 3.753 3.960 0.000 0.000 0.298 338 G C -0.880 174.040 174.900 0.033 0.000 1.195 338 G CA 0.684 45.822 45.100 0.063 0.000 0.989 338 G HN 0.972 nan 8.290 nan 0.000 0.551 339 D N 0.968 121.374 120.400 0.009 0.000 2.375 339 D HA 0.671 5.311 4.640 0.000 0.000 0.247 339 D C 0.540 176.838 176.300 -0.003 0.000 1.061 339 D CA 0.686 54.686 54.000 -0.000 0.000 0.834 339 D CB 1.489 42.279 40.800 -0.017 0.000 1.247 339 D HN 0.850 nan 8.370 nan 0.000 0.489 340 A N 1.784 124.606 122.820 0.004 0.000 2.520 340 A HA 0.533 4.853 4.320 0.000 0.000 0.245 340 A C -0.011 177.568 177.584 -0.009 0.000 1.072 340 A CA -0.060 51.980 52.037 0.004 0.000 0.761 340 A CB 0.155 19.181 19.000 0.044 0.000 1.004 340 A HN 0.558 nan 8.150 nan 0.000 0.499 341 A N 2.316 125.127 122.820 -0.014 0.000 2.355 341 A HA 0.655 4.975 4.320 0.000 0.000 0.324 341 A C 0.332 177.901 177.584 -0.024 0.000 1.117 341 A CA -0.604 51.418 52.037 -0.025 0.000 0.785 341 A CB 0.398 19.381 19.000 -0.028 0.000 1.254 341 A HN 1.675 nan 8.150 nan 0.000 0.453 342 L N 1.793 122.991 121.223 -0.042 0.000 3.601 342 L HA -0.152 4.188 4.340 0.000 0.000 0.469 342 L C -0.668 176.159 176.870 -0.071 0.000 1.294 342 L CA 0.031 54.837 54.840 -0.057 0.000 0.829 342 L CB -1.862 40.183 42.059 -0.024 0.000 1.628 342 L HN 0.517 nan 8.230 nan 0.000 0.868 343 I N 0.901 121.420 120.570 -0.085 0.000 2.336 343 I HA 0.271 4.441 4.170 0.000 0.000 0.292 343 I C 1.044 177.043 176.117 -0.197 0.000 0.991 343 I CA -0.150 61.096 61.300 -0.089 0.000 1.227 343 I CB 1.451 39.425 38.000 -0.044 0.000 1.366 343 I HN 0.242 nan 8.210 nan 0.000 0.466 344 Q N 3.659 123.278 119.800 -0.302 0.000 2.373 344 Q HA 0.229 4.569 4.340 0.000 0.000 0.255 344 Q C 0.854 176.688 176.000 -0.278 0.000 0.980 344 Q CA -0.072 55.471 55.803 -0.434 0.000 0.882 344 Q CB 1.345 29.597 28.738 -0.810 0.000 1.249 344 Q HN 0.765 nan 8.270 nan 0.000 0.438 345 A N 2.362 125.038 122.820 -0.240 0.000 2.014 345 A HA -0.097 4.223 4.320 0.000 0.000 0.218 345 A C 1.819 179.324 177.584 -0.132 0.000 1.163 345 A CA 1.601 53.543 52.037 -0.158 0.000 0.652 345 A CB -0.041 18.885 19.000 -0.123 0.000 0.808 345 A HN 0.745 nan 8.150 nan 0.000 0.449 346 T N -0.013 114.438 114.554 -0.172 0.000 2.894 346 T HA 0.143 4.493 4.350 0.000 0.000 0.258 346 T C 2.262 176.869 174.700 -0.155 0.000 1.043 346 T CA 1.073 63.087 62.100 -0.143 0.000 1.141 346 T CB -0.330 68.441 68.868 -0.160 0.000 0.873 346 T HN 0.521 nan 8.240 nan 0.000 0.449 347 A N 1.367 124.058 122.820 -0.216 0.000 1.902 347 A HA 0.038 4.358 4.320 0.000 0.000 0.217 347 A C 2.290 179.947 177.584 0.122 0.000 1.181 347 A CA 1.151 53.155 52.037 -0.055 0.000 0.623 347 A CB -0.851 18.157 19.000 0.013 0.000 0.818 347 A HN 0.442 nan 8.150 nan 0.000 0.443 348 L N -0.904 120.312 121.223 -0.011 0.000 2.072 348 L HA -0.154 4.186 4.340 0.000 0.000 0.205 348 L C 2.709 179.635 176.870 0.093 0.000 1.079 348 L CA 1.648 56.475 54.840 -0.022 0.000 0.752 348 L CB -0.385 41.558 42.059 -0.193 0.000 0.906 348 L HN 0.674 nan 8.230 nan 0.000 0.436 349 E N 0.234 120.456 120.200 0.037 0.000 2.110 349 E HA -0.256 4.094 4.350 0.000 0.000 0.193 349 E C 1.379 178.034 176.600 0.093 0.000 0.988 349 E CA 1.683 58.109 56.400 0.044 0.000 0.804 349 E CB 0.133 29.841 29.700 0.014 0.000 0.745 349 E HN 0.432 nan 8.360 nan 0.000 0.458 350 D N 0.367 120.855 120.400 0.146 0.000 2.137 350 D HA -0.139 4.501 4.640 0.000 0.000 0.202 350 D C 1.557 178.036 176.300 0.297 0.000 0.970 350 D CA 0.880 55.006 54.000 0.211 0.000 0.837 350 D CB -0.805 40.164 40.800 0.281 0.000 0.981 350 D HN 0.439 nan 8.370 nan 0.000 0.475 351 W N 2.490 123.912 121.300 0.204 0.000 2.333 351 W HA -0.245 4.415 4.660 0.000 0.000 0.316 351 W C 1.966 178.528 176.519 0.072 0.000 1.215 351 W CA 2.394 59.864 57.345 0.209 0.000 1.278 351 W CB -0.559 28.986 29.460 0.142 0.000 1.154 351 W HN 0.066 nan 8.180 nan 0.000 0.486 352 S N 1.189 116.754 115.700 -0.226 0.000 2.423 352 S HA -0.058 4.412 4.470 0.000 0.000 0.231 352 S C 2.069 176.531 174.600 -0.230 0.000 1.014 352 S CA 1.351 59.328 58.200 -0.371 0.000 0.965 352 S CB -0.862 62.291 63.200 -0.079 0.000 0.785 352 S HN 0.319 nan 8.310 nan 0.000 0.495 353 A N 1.560 124.327 122.820 -0.087 0.000 2.016 353 A HA 0.276 4.596 4.320 0.000 0.000 0.217 353 A C 2.090 179.652 177.584 -0.037 0.000 1.162 353 A CA 0.785 52.802 52.037 -0.033 0.000 0.662 353 A CB -0.411 18.605 19.000 0.026 0.000 0.812 353 A HN 0.523 nan 8.150 nan 0.000 0.450 354 I N -0.803 119.748 120.570 -0.032 0.000 2.876 354 I HA -0.064 4.106 4.170 0.000 0.000 0.264 354 I C 1.977 178.020 176.117 -0.123 0.000 1.204 354 I CA 0.862 62.172 61.300 0.016 0.000 1.485 354 I CB -0.766 37.361 38.000 0.211 0.000 1.103 354 I HN 0.238 nan 8.210 nan 0.000 0.446 355 M N 0.703 120.096 119.600 -0.345 0.000 2.236 355 M HA 0.030 4.510 4.480 0.000 0.000 0.266 355 M C 2.383 178.537 176.300 -0.243 0.000 1.070 355 M CA 1.271 56.302 55.300 -0.448 0.000 1.137 355 M CB -1.207 30.915 32.600 -0.797 0.000 1.378 355 M HN 0.188 nan 8.290 nan 0.000 0.426 356 A N -0.808 121.906 122.820 -0.177 0.000 1.975 356 A HA 0.009 4.329 4.320 0.000 0.000 0.215 356 A C 0.967 178.523 177.584 -0.047 0.000 1.170 356 A CA 0.922 52.905 52.037 -0.091 0.000 0.656 356 A CB 0.142 19.106 19.000 -0.059 0.000 0.821 356 A HN 0.211 nan 8.150 nan 0.000 0.449 357 K N -0.278 120.100 120.400 -0.036 0.000 2.687 357 K HA 0.295 4.615 4.320 0.000 0.000 0.197 357 K C -2.619 173.999 176.600 0.029 0.000 1.049 357 K CA -1.731 54.561 56.287 0.008 0.000 1.030 357 K CB 1.476 33.992 32.500 0.026 0.000 1.261 357 K HN 0.042 nan 8.250 nan 0.000 0.565 358 P HA -0.121 nan 4.420 nan 0.000 0.222 358 P C 0.535 177.916 177.300 0.135 0.000 1.147 358 P CA 1.024 64.145 63.100 0.036 0.000 0.790 358 P CB 0.481 32.167 31.700 -0.023 0.000 0.780 359 E N -0.580 119.700 120.200 0.134 0.000 2.204 359 E HA -0.162 4.188 4.350 0.000 0.000 0.195 359 E C 1.768 178.525 176.600 0.260 0.000 0.990 359 E CA 0.552 57.069 56.400 0.195 0.000 0.821 359 E CB -1.111 28.675 29.700 0.143 0.000 0.750 359 E HN 0.124 nan 8.360 nan 0.000 0.477 360 L N 0.360 121.696 121.223 0.189 0.000 2.043 360 L HA -0.206 4.134 4.340 0.000 0.000 0.212 360 L C 1.994 179.019 176.870 0.257 0.000 1.075 360 L CA 1.501 56.457 54.840 0.193 0.000 0.752 360 L CB -0.374 41.764 42.059 0.131 0.000 0.891 360 L HN 0.047 nan 8.230 nan 0.000 0.432 361 V N -0.958 119.116 119.914 0.268 0.000 2.427 361 V HA -0.287 3.833 4.120 0.000 0.000 0.248 361 V C 2.242 178.554 176.094 0.363 0.000 1.051 361 V CA 1.950 64.432 62.300 0.302 0.000 1.048 361 V CB -0.891 31.118 31.823 0.310 0.000 0.666 361 V HN 0.540 nan 8.190 nan 0.000 0.456 362 F N 1.662 121.757 119.950 0.242 0.000 2.128 362 F HA -0.150 4.377 4.527 0.000 0.000 0.295 362 F C 2.413 178.290 175.800 0.129 0.000 1.100 362 F CA 2.086 60.185 58.000 0.165 0.000 1.260 362 F CB -0.537 38.543 39.000 0.134 0.000 1.009 362 F HN 0.129 nan 8.300 nan 0.000 0.476 363 T N -0.407 114.271 114.554 0.206 0.000 2.821 363 T HA -0.242 4.108 4.350 0.000 0.000 0.267 363 T C 1.601 176.349 174.700 0.080 0.000 1.046 363 T CA 1.654 63.819 62.100 0.108 0.000 1.139 363 T CB -0.859 68.154 68.868 0.241 0.000 0.871 363 T HN 0.534 nan 8.240 nan 0.000 0.454 364 Y N 2.205 122.541 120.300 0.060 0.000 2.200 364 Y HA 0.093 4.643 4.550 0.000 0.000 0.290 364 Y C 2.533 178.466 175.900 0.056 0.000 1.137 364 Y CA 0.739 58.904 58.100 0.109 0.000 1.163 364 Y CB -0.651 37.898 38.460 0.148 0.000 0.988 364 Y HN 0.173 nan 8.280 nan 0.000 0.518 365 A N 0.606 123.411 122.820 -0.025 0.000 1.972 365 A HA -0.195 4.125 4.320 0.000 0.000 0.219 365 A C 2.441 179.899 177.584 -0.210 0.000 1.169 365 A CA 1.726 53.677 52.037 -0.144 0.000 0.635 365 A CB -0.855 18.107 19.000 -0.063 0.000 0.810 365 A HN 0.675 nan 8.150 nan 0.000 0.446 366 M N -0.918 118.498 119.600 -0.307 0.000 2.200 366 M HA -0.184 4.296 4.480 0.000 0.000 0.265 366 M C 2.182 178.403 176.300 -0.130 0.000 1.066 366 M CA 1.659 56.747 55.300 -0.354 0.000 1.127 366 M CB -0.205 32.025 32.600 -0.617 0.000 1.379 366 M HN 0.507 nan 8.290 nan 0.000 0.420 367 Q N -0.664 119.077 119.800 -0.098 0.000 2.119 367 Q HA -0.127 4.213 4.340 0.000 0.000 0.201 367 Q C 1.989 177.985 176.000 -0.006 0.000 0.972 367 Q CA 1.593 57.394 55.803 -0.005 0.000 0.847 367 Q CB -0.019 28.740 28.738 0.035 0.000 0.903 367 Q HN 0.436 nan 8.270 nan 0.000 0.433 368 V N 0.962 120.789 119.914 -0.144 0.000 2.453 368 V HA -0.229 3.891 4.120 0.000 0.000 0.247 368 V C 2.457 178.511 176.094 -0.066 0.000 1.048 368 V CA 1.830 64.020 62.300 -0.183 0.000 1.049 368 V CB -0.635 30.936 31.823 -0.419 0.000 0.672 368 V HN 0.452 nan 8.190 nan 0.000 0.457 369 S N 0.108 115.805 115.700 -0.005 0.000 2.382 369 S HA -0.182 4.288 4.470 0.000 0.000 0.228 369 S C 2.031 176.696 174.600 0.107 0.000 1.027 369 S CA 1.819 60.085 58.200 0.110 0.000 0.991 369 S CB -0.475 62.834 63.200 0.181 0.000 0.823 369 S HN 0.415 nan 8.310 nan 0.000 0.469 370 V N 1.666 121.637 119.914 0.096 0.000 2.446 370 V HA 0.296 4.416 4.120 0.000 0.000 0.244 370 V C 2.597 178.650 176.094 -0.068 0.000 1.039 370 V CA 1.425 63.737 62.300 0.020 0.000 1.045 370 V CB -0.918 30.952 31.823 0.078 0.000 0.681 370 V HN 0.582 nan 8.190 nan 0.000 0.459 371 A N -0.264 122.532 122.820 -0.040 0.000 2.172 371 A HA -0.017 4.303 4.320 0.000 0.000 0.216 371 A C 1.996 179.502 177.584 -0.130 0.000 1.154 371 A CA 1.787 53.783 52.037 -0.068 0.000 0.701 371 A CB -0.489 18.525 19.000 0.022 0.000 0.789 371 A HN 0.683 nan 8.150 nan 0.000 0.465 372 L N -0.247 120.891 121.223 -0.141 0.000 2.130 372 L HA 0.044 4.384 4.340 0.000 0.000 0.200 372 L C 1.925 178.586 176.870 -0.349 0.000 1.075 372 L CA 2.043 56.762 54.840 -0.201 0.000 0.768 372 L CB -0.700 41.293 42.059 -0.109 0.000 0.933 372 L HN 0.470 nan 8.230 nan 0.000 0.451 373 N N -1.023 117.423 118.700 -0.423 0.000 2.149 373 N HA -0.229 4.511 4.740 0.000 0.000 0.188 373 N C 1.581 176.803 175.510 -0.481 0.000 1.019 373 N CA 2.005 54.625 53.050 -0.717 0.000 0.857 373 N CB 0.040 38.073 38.487 -0.757 0.000 0.997 373 N HN 0.682 nan 8.380 nan 0.000 0.426 374 T N -2.751 111.606 114.554 -0.329 0.000 2.851 374 T HA 0.058 4.408 4.350 0.000 0.000 0.262 374 T C 2.057 176.603 174.700 -0.257 0.000 1.043 374 T CA 1.048 62.998 62.100 -0.250 0.000 1.140 374 T CB -0.790 67.950 68.868 -0.213 0.000 0.872 374 T HN 0.174 nan 8.240 nan 0.000 0.446 375 G N 1.271 109.904 108.800 -0.277 0.000 2.443 375 G HA2 0.034 3.994 3.960 0.000 0.000 0.219 375 G HA3 0.034 3.994 3.960 0.000 0.000 0.219 375 G C 1.489 176.205 174.900 -0.307 0.000 1.131 375 G CA 0.497 45.434 45.100 -0.272 0.000 0.775 375 G HN 0.514 nan 8.290 nan 0.000 0.547 376 L N -1.320 119.685 121.223 -0.362 0.000 2.162 376 L HA 0.106 4.446 4.340 0.000 0.000 0.205 376 L C 2.489 179.142 176.870 -0.361 0.000 1.086 376 L CA 0.662 55.237 54.840 -0.442 0.000 0.778 376 L CB -0.359 41.389 42.059 -0.517 0.000 0.928 376 L HN 0.292 nan 8.230 nan 0.000 0.446 377 Y N 0.125 120.173 120.300 -0.421 0.000 2.263 377 Y HA -0.164 4.386 4.550 0.000 0.000 0.292 377 Y C 2.266 177.958 175.900 -0.348 0.000 1.130 377 Y CA 1.163 59.050 58.100 -0.355 0.000 1.179 377 Y CB 0.121 38.375 38.460 -0.344 0.000 0.998 377 Y HN -0.048 nan 8.280 nan 0.000 0.532 378 L N 1.134 122.161 121.223 -0.328 0.000 2.275 378 L HA -0.142 4.198 4.340 0.000 0.000 0.215 378 L C 2.473 179.010 176.870 -0.555 0.000 1.119 378 L CA 1.568 56.124 54.840 -0.473 0.000 0.790 378 L CB -1.259 40.500 42.059 -0.499 0.000 0.919 378 L HN 0.374 nan 8.230 nan 0.000 0.443 379 R N -0.004 120.207 120.500 -0.481 0.000 2.105 379 R HA -0.156 4.184 4.340 0.000 0.000 0.239 379 R C 2.344 178.488 176.300 -0.260 0.000 1.135 379 R CA 1.245 57.094 56.100 -0.418 0.000 0.967 379 R CB 0.073 30.167 30.300 -0.344 0.000 0.861 379 R HN 0.325 nan 8.270 nan 0.000 0.442 380 R N -0.245 120.073 120.500 -0.304 0.000 2.062 380 R HA -0.038 4.302 4.340 0.000 0.000 0.229 380 R C 2.315 178.298 176.300 -0.528 0.000 1.128 380 R CA 1.502 57.318 56.100 -0.475 0.000 0.960 380 R CB -0.453 29.564 30.300 -0.470 0.000 0.855 380 R HN 0.117 nan 8.270 nan 0.000 0.432 381 V N 1.791 121.350 119.914 -0.592 0.000 2.427 381 V HA -0.204 3.916 4.120 0.000 0.000 0.248 381 V C 2.215 178.144 176.094 -0.276 0.000 1.051 381 V CA 1.647 63.640 62.300 -0.511 0.000 1.048 381 V CB -0.470 30.945 31.823 -0.680 0.000 0.666 381 V HN 0.266 nan 8.190 nan 0.000 0.456 382 K N 0.393 120.600 120.400 -0.322 0.000 2.097 382 K HA -0.147 4.173 4.320 0.000 0.000 0.205 382 K C 2.255 178.848 176.600 -0.011 0.000 1.050 382 K CA 1.069 57.231 56.287 -0.209 0.000 0.938 382 K CB -0.169 31.915 32.500 -0.694 0.000 0.718 382 K HN 0.348 nan 8.250 nan 0.000 0.442 383 K N 0.859 121.224 120.400 -0.059 0.000 2.439 383 K HA -0.058 4.262 4.320 0.000 0.000 0.197 383 K C 0.572 177.165 176.600 -0.011 0.000 1.041 383 K CA 1.190 57.538 56.287 0.102 0.000 0.970 383 K CB 0.143 32.650 32.500 0.011 0.000 0.773 383 K HN -0.021 nan 8.250 nan 0.000 0.479 384 T N 0.331 114.850 114.554 -0.059 0.000 3.148 384 T HA 0.106 4.456 4.350 0.000 0.000 0.253 384 T C 0.959 175.691 174.700 0.054 0.000 1.134 384 T CA 0.644 62.724 62.100 -0.034 0.000 1.051 384 T CB 0.027 68.860 68.868 -0.058 0.000 0.959 384 T HN 0.511 nan 8.240 nan 0.000 0.525 385 G N 1.685 110.542 108.800 0.093 0.000 2.148 385 G HA2 -0.275 3.685 3.960 0.000 0.000 0.254 385 G HA3 -0.275 3.685 3.960 0.000 0.000 0.254 385 G C 0.039 175.007 174.900 0.114 0.000 0.981 385 G CA -0.336 44.823 45.100 0.099 0.000 0.670 385 G HN 0.605 nan 8.290 nan 0.000 0.528 386 F N 1.566 121.515 119.950 -0.001 0.000 2.506 386 F HA 0.427 4.954 4.527 0.000 0.000 0.371 386 F C 1.614 177.450 175.800 0.060 0.000 1.078 386 F CA 1.092 59.084 58.000 -0.014 0.000 1.195 386 F CB 0.562 39.522 39.000 -0.066 0.000 1.099 386 F HN 0.783 nan 8.300 nan 0.000 0.548 387 G N 3.654 112.322 108.800 -0.219 0.000 2.219 387 G HA2 -0.346 3.614 3.960 0.000 0.000 0.271 387 G HA3 -0.346 3.614 3.960 0.000 0.000 0.271 387 G C 0.465 175.483 174.900 0.196 0.000 0.991 387 G CA 0.784 45.869 45.100 -0.025 0.000 0.685 387 G HN 0.848 nan 8.290 nan 0.000 0.531 388 T N -0.003 114.663 114.554 0.186 0.000 2.749 388 T HA 0.544 4.894 4.350 0.000 0.000 0.287 388 T C 1.515 176.279 174.700 0.107 0.000 0.970 388 T CA 0.531 62.740 62.100 0.181 0.000 0.980 388 T CB 0.864 69.873 68.868 0.235 0.000 0.924 388 T HN 0.142 nan 8.240 nan 0.000 0.456 389 T N 4.423 119.030 114.554 0.088 0.000 3.065 389 T HA 0.177 4.527 4.350 0.000 0.000 0.252 389 T C 0.547 175.276 174.700 0.048 0.000 1.099 389 T CA -0.121 62.011 62.100 0.054 0.000 1.063 389 T CB -0.094 68.801 68.868 0.045 0.000 0.948 389 T HN 0.511 nan 8.240 nan 0.000 0.506 390 I N 2.512 123.119 120.570 0.062 0.000 2.312 390 I HA 0.417 4.587 4.170 0.000 0.000 0.290 390 I C -1.088 175.046 176.117 0.029 0.000 1.008 390 I CA -1.638 59.682 61.300 0.033 0.000 1.226 390 I CB 0.948 38.961 38.000 0.023 0.000 1.371 390 I HN -0.177 nan 8.210 nan 0.000 0.468 391 D N 5.695 126.098 120.400 0.005 0.000 2.313 391 D HA 0.411 5.051 4.640 0.000 0.000 0.239 391 D C -1.056 175.211 176.300 -0.055 0.000 1.142 391 D CA 0.306 54.306 54.000 0.001 0.000 0.847 391 D CB 0.622 41.427 40.800 0.009 0.000 1.082 391 D HN 0.693 nan 8.370 nan 0.000 0.480 392 D N 0.905 121.243 120.400 -0.104 0.000 2.609 392 D HA 0.216 4.856 4.640 0.000 0.000 0.239 392 D C -1.312 174.901 176.300 -0.146 0.000 1.229 392 D CA -0.700 53.191 54.000 -0.183 0.000 0.808 392 D CB 1.578 42.171 40.800 -0.345 0.000 1.448 392 D HN 0.030 nan 8.370 nan 0.000 0.433 393 S N 2.273 117.930 115.700 -0.071 0.000 4.139 393 S HA 0.118 4.588 4.470 0.000 0.000 0.215 393 S C 0.476 175.146 174.600 0.116 0.000 1.390 393 S CA -0.307 57.927 58.200 0.056 0.000 0.885 393 S CB -0.799 62.438 63.200 0.061 0.000 1.560 393 S HN 0.442 nan 8.310 nan 0.000 0.449 394 Y N 2.027 122.440 120.300 0.189 0.000 2.228 394 Y HA -0.275 4.275 4.550 0.000 0.000 0.285 394 Y C 2.199 178.293 175.900 0.322 0.000 1.178 394 Y CA 1.848 60.116 58.100 0.280 0.000 1.202 394 Y CB -0.444 38.176 38.460 0.267 0.000 0.974 394 Y HN 0.774 nan 8.280 nan 0.000 0.527 395 E N 0.012 120.493 120.200 0.468 0.000 2.086 395 E HA -0.294 4.056 4.350 0.000 0.000 0.205 395 E C 1.324 177.932 176.600 0.014 0.000 1.027 395 E CA 2.278 58.774 56.400 0.160 0.000 0.830 395 E CB -0.354 29.643 29.700 0.495 0.000 0.751 395 E HN 0.361 nan 8.360 nan 0.000 0.456 396 D N -0.947 119.523 120.400 0.117 0.000 2.473 396 D HA 0.214 4.854 4.640 0.000 0.000 0.230 396 D C 1.275 177.631 176.300 0.093 0.000 1.097 396 D CA 0.691 54.740 54.000 0.080 0.000 0.861 396 D CB 0.199 41.022 40.800 0.037 0.000 1.114 396 D HN 0.286 nan 8.370 nan 0.000 0.500 397 G N 1.092 109.943 108.800 0.085 0.000 2.652 397 G HA2 -0.252 3.708 3.960 0.000 0.000 0.189 397 G HA3 -0.252 3.708 3.960 0.000 0.000 0.189 397 G C 1.478 176.332 174.900 -0.076 0.000 1.331 397 G CA 1.521 46.617 45.100 -0.007 0.000 0.875 397 G HN 0.296 nan 8.290 nan 0.000 0.672 398 A N -0.795 121.874 122.820 -0.252 0.000 2.178 398 A HA 0.220 4.540 4.320 0.000 0.000 0.218 398 A C 1.837 179.146 177.584 -0.457 0.000 1.157 398 A CA 1.182 52.969 52.037 -0.417 0.000 0.689 398 A CB -0.442 18.211 19.000 -0.579 0.000 0.787 398 A HN 0.401 nan 8.150 nan 0.000 0.465 399 F N -1.227 118.776 119.950 0.087 0.000 2.692 399 F HA 0.288 4.815 4.527 0.000 0.000 0.303 399 F C 1.412 177.274 175.800 0.104 0.000 1.114 399 F CA 0.056 58.223 58.000 0.278 0.000 1.361 399 F CB -0.021 39.184 39.000 0.342 0.000 1.063 399 F HN 0.150 nan 8.300 nan 0.000 0.550 400 L N -0.394 120.878 121.223 0.082 0.000 2.513 400 L HA 0.151 4.491 4.340 0.000 0.000 0.222 400 L C 0.514 177.334 176.870 -0.084 0.000 1.096 400 L CA 0.288 55.117 54.840 -0.018 0.000 0.857 400 L CB 0.270 42.318 42.059 -0.019 0.000 1.026 400 L HN 0.024 nan 8.230 nan 0.000 0.469 401 Q N 0.009 119.761 119.800 -0.080 0.000 2.331 401 Q HA 0.229 4.569 4.340 0.000 0.000 0.257 401 Q C -1.825 174.047 176.000 -0.213 0.000 0.957 401 Q CA -2.121 53.601 55.803 -0.136 0.000 0.923 401 Q CB 1.612 30.300 28.738 -0.083 0.000 1.212 401 Q HN -0.101 nan 8.270 nan 0.000 0.443 402 P HA -0.245 nan 4.420 nan 0.000 0.214 402 P C 0.471 177.472 177.300 -0.498 0.000 1.163 402 P CA 1.540 64.175 63.100 -0.775 0.000 0.889 402 P CB 0.242 30.912 31.700 -1.717 0.000 0.790 403 E N -0.583 119.344 120.200 -0.455 0.000 2.153 403 E HA -0.127 4.223 4.350 0.000 0.000 0.194 403 E C 1.359 177.815 176.600 -0.239 0.000 0.988 403 E CA 1.951 58.139 56.400 -0.353 0.000 0.811 403 E CB -1.639 27.546 29.700 -0.859 0.000 0.746 403 E HN 0.359 nan 8.360 nan 0.000 0.466 404 T N -1.979 112.458 114.554 -0.195 0.000 3.040 404 T HA 0.091 4.441 4.350 0.000 0.000 0.250 404 T C 1.431 176.077 174.700 -0.091 0.000 1.058 404 T CA -0.202 61.829 62.100 -0.114 0.000 0.988 404 T CB -0.448 68.367 68.868 -0.088 0.000 0.993 404 T HN 0.084 nan 8.240 nan 0.000 0.519 405 F N 2.751 122.605 119.950 -0.160 0.000 2.025 405 F HA -0.146 4.381 4.527 0.000 0.000 0.297 405 F C 2.278 178.107 175.800 0.048 0.000 1.132 405 F CA 1.584 59.552 58.000 -0.053 0.000 1.191 405 F CB -0.921 38.075 39.000 -0.007 0.000 0.963 405 F HN 0.055 nan 8.300 nan 0.000 0.481 406 V N 1.439 121.247 119.914 -0.177 0.000 2.469 406 V HA -0.266 3.854 4.120 0.000 0.000 0.251 406 V C 2.172 178.134 176.094 -0.220 0.000 1.064 406 V CA 2.342 64.488 62.300 -0.258 0.000 1.066 406 V CB -0.527 31.290 31.823 -0.009 0.000 0.667 406 V HN 0.618 nan 8.190 nan 0.000 0.461 407 Q N 0.341 120.038 119.800 -0.172 0.000 2.172 407 Q HA 0.016 4.356 4.340 0.000 0.000 0.200 407 Q C 2.325 178.219 176.000 -0.177 0.000 0.964 407 Q CA 1.579 57.286 55.803 -0.160 0.000 0.855 407 Q CB -0.688 27.982 28.738 -0.114 0.000 0.918 407 Q HN 0.707 nan 8.270 nan 0.000 0.444 408 A N 1.379 124.047 122.820 -0.253 0.000 2.067 408 A HA 0.097 4.417 4.320 0.000 0.000 0.219 408 A C 2.314 179.853 177.584 -0.076 0.000 1.158 408 A CA 1.380 53.223 52.037 -0.322 0.000 0.661 408 A CB -0.396 18.085 19.000 -0.864 0.000 0.801 408 A HN 0.358 nan 8.150 nan 0.000 0.452 409 A N -0.281 122.541 122.820 0.003 0.000 1.897 409 A HA 0.109 4.429 4.320 0.000 0.000 0.215 409 A C 2.105 179.632 177.584 -0.095 0.000 1.181 409 A CA 1.247 53.291 52.037 0.011 0.000 0.620 409 A CB -0.467 18.414 19.000 -0.197 0.000 0.821 409 A HN 0.426 nan 8.150 nan 0.000 0.443 410 L N -0.591 120.558 121.223 -0.124 0.000 2.005 410 L HA -0.130 4.210 4.340 0.000 0.000 0.207 410 L C 3.057 179.891 176.870 -0.060 0.000 1.072 410 L CA 1.236 56.012 54.840 -0.107 0.000 0.744 410 L CB -0.479 41.479 42.059 -0.168 0.000 0.895 410 L HN 0.380 nan 8.230 nan 0.000 0.433 411 A N -1.252 121.533 122.820 -0.059 0.000 2.019 411 A HA -0.275 4.045 4.320 0.000 0.000 0.219 411 A C 2.459 180.028 177.584 -0.025 0.000 1.164 411 A CA 1.712 53.734 52.037 -0.023 0.000 0.644 411 A CB -1.293 17.689 19.000 -0.031 0.000 0.805 411 A HN 0.634 nan 8.150 nan 0.000 0.449 412 C N -2.018 117.266 119.300 -0.027 0.000 2.435 412 C HA -0.063 4.397 4.460 0.000 0.000 0.279 412 C C 2.816 177.714 174.990 -0.154 0.000 1.321 412 C CA 1.160 60.167 59.018 -0.019 0.000 1.752 412 C CB -1.563 26.206 27.740 0.049 0.000 1.959 412 C HN 0.704 nan 8.230 nan 0.000 0.500 413 C N 0.487 119.675 119.300 -0.187 0.000 2.587 413 C HA 0.083 4.543 4.460 0.000 0.000 0.287 413 C C 3.136 177.991 174.990 -0.226 0.000 1.374 413 C CA 1.701 60.542 59.018 -0.295 0.000 1.770 413 C CB -1.081 26.476 27.740 -0.305 0.000 2.137 413 C HN 0.771 nan 8.230 nan 0.000 0.550 414 T N -1.740 112.748 114.554 -0.109 0.000 2.720 414 T HA 0.099 4.449 4.350 0.000 0.000 0.268 414 T C 1.608 176.290 174.700 -0.030 0.000 1.037 414 T CA 2.399 64.478 62.100 -0.036 0.000 1.144 414 T CB -0.733 68.199 68.868 0.107 0.000 0.864 414 T HN 1.465 nan 8.240 nan 0.000 0.444 415 G N 0.592 109.380 108.800 -0.021 0.000 2.195 415 G HA2 -0.240 3.720 3.960 0.000 0.000 0.246 415 G HA3 -0.240 3.720 3.960 0.000 0.000 0.246 415 G C 0.111 175.031 174.900 0.034 0.000 0.984 415 G CA 0.360 45.456 45.100 -0.007 0.000 0.633 415 G HN 0.738 nan 8.290 nan 0.000 0.525 416 Q N 0.015 119.860 119.800 0.076 0.000 2.204 416 Q HA 0.539 4.879 4.340 0.000 0.000 0.175 416 Q C -0.797 175.272 176.000 0.116 0.000 1.020 416 Q CA -0.463 55.410 55.803 0.118 0.000 1.078 416 Q CB 0.429 29.286 28.738 0.198 0.000 1.228 416 Q HN 0.229 nan 8.270 nan 0.000 0.550 417 D N 0.534 121.022 120.400 0.147 0.000 2.317 417 D HA 0.365 5.005 4.640 0.000 0.000 0.234 417 D C -1.236 175.113 176.300 0.081 0.000 1.112 417 D CA -0.111 53.950 54.000 0.102 0.000 0.840 417 D CB 1.198 42.059 40.800 0.102 0.000 1.078 417 D HN 0.517 nan 8.370 nan 0.000 0.486 418 A N 4.389 127.203 122.820 -0.010 0.000 2.376 418 A HA 0.397 4.717 4.320 0.000 0.000 0.298 418 A C -2.152 175.398 177.584 -0.057 0.000 1.271 418 A CA -1.301 50.661 52.037 -0.125 0.000 0.926 418 A CB -0.046 18.866 19.000 -0.146 0.000 1.141 418 A HN 0.299 nan 8.150 nan 0.000 0.539 419 P HA 0.048 nan 4.420 nan 0.000 0.263 419 P C -0.102 177.250 177.300 0.088 0.000 1.195 419 P CA 0.503 63.659 63.100 0.093 0.000 0.762 419 P CB 0.552 32.354 31.700 0.169 0.000 0.799 420 L N 3.479 124.776 121.223 0.124 0.000 2.479 420 L HA 0.167 4.507 4.340 0.000 0.000 0.249 420 L C 2.008 178.910 176.870 0.053 0.000 1.178 420 L CA -0.579 54.301 54.840 0.066 0.000 0.811 420 L CB 0.097 42.209 42.059 0.089 0.000 1.187 420 L HN 0.326 nan 8.230 nan 0.000 0.480 421 N N 1.063 119.712 118.700 -0.085 0.000 2.270 421 N HA -0.065 4.675 4.740 0.000 0.000 0.181 421 N C 1.172 176.521 175.510 -0.270 0.000 1.016 421 N CA 1.132 54.061 53.050 -0.203 0.000 0.870 421 N CB -0.037 38.321 38.487 -0.215 0.000 0.979 421 N HN 0.907 nan 8.380 nan 0.000 0.431 422 G N 0.662 109.161 108.800 -0.502 0.000 2.165 422 G HA2 -0.244 3.716 3.960 0.000 0.000 0.226 422 G HA3 -0.244 3.716 3.960 0.000 0.000 0.226 422 G C -0.114 174.200 174.900 -0.976 0.000 1.035 422 G CA 0.515 44.712 45.100 -1.504 0.000 0.744 422 G HN 0.343 nan 8.290 nan 0.000 0.501 423 M N -0.897 118.440 119.600 -0.439 0.000 3.693 423 M HA 0.608 5.088 4.480 0.000 0.000 0.313 423 M C -0.786 175.572 176.300 0.096 0.000 1.498 423 M CA -0.093 55.097 55.300 -0.183 0.000 0.845 423 M CB 1.781 34.209 32.600 -0.286 0.000 1.920 423 M HN 0.706 nan 8.290 nan 0.000 0.471 424 S N -0.197 115.609 115.700 0.177 0.000 2.547 424 S HA 0.550 5.020 4.470 0.000 0.000 0.281 424 S C -0.703 173.975 174.600 0.131 0.000 1.118 424 S CA -0.456 57.880 58.200 0.227 0.000 0.947 424 S CB 1.891 65.287 63.200 0.325 0.000 1.053 424 S HN 0.845 nan 8.310 nan 0.000 0.482 425 D N -0.279 120.193 120.400 0.119 0.000 2.981 425 D HA -0.152 4.488 4.640 0.000 0.000 0.223 425 D C -0.193 176.088 176.300 -0.031 0.000 1.151 425 D CA 1.386 55.491 54.000 0.175 0.000 0.827 425 D CB -1.542 39.331 40.800 0.123 0.000 1.101 425 D HN 1.120 nan 8.370 nan 0.000 0.426 426 V N -0.694 119.184 119.914 -0.059 0.000 2.531 426 V HA 0.922 5.042 4.120 0.000 0.000 0.301 426 V C -0.285 175.691 176.094 -0.197 0.000 1.034 426 V CA -0.631 61.486 62.300 -0.305 0.000 0.865 426 V CB 1.571 33.269 31.823 -0.209 0.000 0.995 426 V HN 0.255 nan 8.190 nan 0.000 0.424 427 Y N 2.100 122.284 120.300 -0.193 0.000 2.925 427 Y HA 0.833 5.383 4.550 0.000 0.000 0.349 427 Y C -1.438 174.369 175.900 -0.156 0.000 1.342 427 Y CA -1.594 56.407 58.100 -0.165 0.000 1.093 427 Y CB 1.329 39.701 38.460 -0.148 0.000 1.571 427 Y HN 0.408 nan 8.280 nan 0.000 0.438 428 V N 1.871 121.884 119.914 0.163 0.000 2.498 428 V HA 0.639 4.759 4.120 0.000 0.000 0.283 428 V C -0.552 175.668 176.094 0.211 0.000 1.015 428 V CA 0.180 62.520 62.300 0.067 0.000 0.867 428 V CB 1.140 32.973 31.823 0.017 0.000 1.025 428 V HN 1.126 nan 8.190 nan 0.000 0.441 429 T N 0.658 115.267 114.554 0.092 0.000 2.888 429 T HA 0.736 5.086 4.350 0.000 0.000 0.288 429 T C -1.103 173.446 174.700 -0.252 0.000 1.063 429 T CA -0.650 61.470 62.100 0.034 0.000 1.010 429 T CB 2.200 70.876 68.868 -0.321 0.000 1.214 429 T HN 0.228 nan 8.240 nan 0.000 0.533 430 Y N 1.056 121.231 120.300 -0.208 0.000 2.658 430 Y HA 0.364 4.914 4.550 0.000 0.000 0.362 430 Y C -1.996 173.726 175.900 -0.296 0.000 1.017 430 Y CA -2.212 55.829 58.100 -0.098 0.000 1.134 430 Y CB 1.178 39.738 38.460 0.167 0.000 1.144 430 Y HN 0.489 nan 8.280 nan 0.000 0.655 431 P HA -0.214 nan 4.420 nan 0.000 0.216 431 P C 0.966 178.181 177.300 -0.143 0.000 1.154 431 P CA 1.905 64.868 63.100 -0.228 0.000 0.865 431 P CB 0.296 31.892 31.700 -0.173 0.000 0.789 432 D N -1.504 118.850 120.400 -0.077 0.000 2.378 432 D HA -0.089 4.551 4.640 0.000 0.000 0.222 432 D C 1.211 177.442 176.300 -0.114 0.000 0.980 432 D CA 0.702 54.668 54.000 -0.056 0.000 0.907 432 D CB -0.865 39.952 40.800 0.028 0.000 0.899 432 D HN 0.146 nan 8.370 nan 0.000 0.527 433 L N 0.039 121.185 121.223 -0.130 0.000 2.693 433 L HA 0.187 4.527 4.340 0.000 0.000 0.235 433 L C 1.740 178.514 176.870 -0.161 0.000 1.127 433 L CA 0.049 54.795 54.840 -0.156 0.000 0.914 433 L CB -0.111 41.879 42.059 -0.115 0.000 1.193 433 L HN 0.084 nan 8.230 nan 0.000 0.502 434 L N -0.186 120.933 121.223 -0.173 0.000 2.362 434 L HA -0.019 4.321 4.340 0.000 0.000 0.219 434 L C 0.674 177.373 176.870 -0.284 0.000 1.134 434 L CA 1.054 55.768 54.840 -0.210 0.000 0.807 434 L CB -0.159 41.788 42.059 -0.186 0.000 0.927 434 L HN 0.228 nan 8.230 nan 0.000 0.447 435 E N -0.719 119.356 120.200 -0.208 0.000 2.313 435 E HA 0.044 4.394 4.350 0.000 0.000 0.276 435 E C 0.854 177.363 176.600 -0.151 0.000 1.031 435 E CA -0.131 56.168 56.400 -0.168 0.000 0.857 435 E CB 0.856 30.512 29.700 -0.072 0.000 1.040 435 E HN 0.101 nan 8.360 nan 0.000 0.408 436 F N 1.236 121.142 119.950 -0.072 0.000 2.206 436 F HA -0.151 4.376 4.527 0.000 0.000 0.298 436 F C 1.987 177.740 175.800 -0.077 0.000 1.090 436 F CA 0.868 58.812 58.000 -0.093 0.000 1.323 436 F CB 0.399 39.348 39.000 -0.084 0.000 1.028 436 F HN 0.460 nan 8.300 nan 0.000 0.492 437 D N 0.687 121.174 120.400 0.146 0.000 2.355 437 D HA 0.001 4.641 4.640 0.000 0.000 0.218 437 D C 0.801 177.126 176.300 0.041 0.000 1.004 437 D CA 0.321 54.364 54.000 0.071 0.000 0.880 437 D CB -0.512 40.321 40.800 0.054 0.000 0.911 437 D HN 0.085 nan 8.370 nan 0.000 0.528 438 A N 1.443 124.278 122.820 0.026 0.000 2.573 438 A HA 0.274 4.594 4.320 0.000 0.000 0.250 438 A C 0.716 178.321 177.584 0.035 0.000 1.049 438 A CA -0.073 51.972 52.037 0.013 0.000 0.767 438 A CB -0.065 18.918 19.000 -0.029 0.000 0.965 438 A HN 0.296 nan 8.150 nan 0.000 0.514 439 V N 1.235 121.178 119.914 0.049 0.000 2.834 439 V HA 0.911 5.031 4.120 0.000 0.000 0.313 439 V C 0.123 176.275 176.094 0.096 0.000 1.060 439 V CA -0.462 61.874 62.300 0.059 0.000 0.989 439 V CB 1.693 33.539 31.823 0.038 0.000 1.041 439 V HN 0.797 nan 8.190 nan 0.000 0.459 440 T N 2.989 117.598 114.554 0.092 0.000 2.886 440 T HA 0.488 4.838 4.350 0.000 0.000 0.292 440 T C -0.941 173.754 174.700 -0.008 0.000 1.012 440 T CA -0.454 61.698 62.100 0.086 0.000 0.982 440 T CB 1.661 70.635 68.868 0.177 0.000 1.018 440 T HN 0.745 nan 8.240 nan 0.000 0.451 441 Q N 2.672 122.410 119.800 -0.103 0.000 2.398 441 Q HA 0.446 4.786 4.340 0.000 0.000 0.251 441 Q C -0.349 175.524 176.000 -0.212 0.000 0.999 441 Q CA -0.528 55.126 55.803 -0.248 0.000 0.874 441 Q CB 1.334 29.785 28.738 -0.479 0.000 1.215 441 Q HN 0.667 nan 8.270 nan 0.000 0.470 442 V N 0.775 120.657 119.914 -0.053 0.000 2.347 442 V HA 0.546 4.666 4.120 0.000 0.000 0.280 442 V C -2.533 173.669 176.094 0.180 0.000 1.021 442 V CA -2.880 59.455 62.300 0.059 0.000 0.847 442 V CB 1.271 33.149 31.823 0.092 0.000 0.990 442 V HN 0.397 nan 8.190 nan 0.000 0.444 443 P HA 0.303 nan 4.420 nan 0.000 0.265 443 P C -0.459 176.892 177.300 0.086 0.000 1.222 443 P CA 0.268 63.493 63.100 0.208 0.000 0.767 443 P CB 0.353 32.157 31.700 0.172 0.000 0.801 444 I N 0.610 121.206 120.570 0.043 0.000 2.647 444 I HA 0.410 4.580 4.170 0.000 0.000 0.295 444 I C -1.065 175.028 176.117 -0.040 0.000 1.078 444 I CA -0.699 60.599 61.300 -0.004 0.000 1.048 444 I CB 2.056 40.046 38.000 -0.016 0.000 1.239 444 I HN -0.033 nan 8.210 nan 0.000 0.421 445 T N 6.685 121.211 114.554 -0.046 0.000 2.875 445 T HA 0.327 4.677 4.350 0.000 0.000 0.307 445 T C 0.477 175.137 174.700 -0.068 0.000 1.013 445 T CA -0.294 61.774 62.100 -0.053 0.000 0.970 445 T CB -0.380 68.462 68.868 -0.043 0.000 0.986 445 T HN 0.589 nan 8.240 nan 0.000 0.536 446 V N 3.406 123.276 119.914 -0.074 0.000 2.720 446 V HA 0.137 4.257 4.120 0.000 0.000 0.307 446 V C 0.609 176.668 176.094 -0.058 0.000 1.071 446 V CA 0.194 62.442 62.300 -0.086 0.000 1.199 446 V CB 0.107 31.888 31.823 -0.071 0.000 0.900 446 V HN 0.628 nan 8.190 nan 0.000 0.494 447 I N 1.320 121.860 120.570 -0.049 0.000 4.398 447 I HA 0.378 4.548 4.170 0.000 0.000 0.310 447 I C 0.825 176.951 176.117 0.015 0.000 1.232 447 I CA 0.555 61.847 61.300 -0.013 0.000 1.312 447 I CB -0.121 37.876 38.000 -0.005 0.000 1.347 447 I HN 0.748 nan 8.210 nan 0.000 0.454 448 E N 1.522 121.735 120.200 0.022 0.000 2.369 448 E HA 0.409 4.759 4.350 0.000 0.000 0.270 448 E C -2.045 174.548 176.600 -0.013 0.000 0.909 448 E CA -1.503 54.920 56.400 0.039 0.000 0.775 448 E CB 1.594 31.386 29.700 0.153 0.000 1.270 448 E HN -0.104 nan 8.360 nan 0.000 0.445 449 P HA 0.153 nan 4.420 nan 0.000 0.255 449 P C 0.903 178.202 177.300 -0.002 0.000 1.248 449 P CA 0.276 63.374 63.100 -0.004 0.000 0.807 449 P CB 0.120 31.820 31.700 -0.001 0.000 1.150 450 A N 0.727 123.517 122.820 -0.050 0.000 2.042 450 A HA 0.184 4.504 4.320 0.000 0.000 0.222 450 A C 1.297 178.917 177.584 0.061 0.000 1.167 450 A CA 1.378 53.374 52.037 -0.068 0.000 0.649 450 A CB -1.524 17.315 19.000 -0.268 0.000 0.809 450 A HN 0.421 nan 8.150 nan 0.000 0.457 451 G N -2.829 106.069 108.800 0.163 0.000 3.322 451 G HA2 0.141 4.101 3.960 0.000 0.000 0.686 451 G HA3 0.141 4.101 3.960 0.000 0.000 0.686 451 G C -0.734 174.397 174.900 0.385 0.000 1.015 451 G CA -0.178 45.043 45.100 0.201 0.000 0.826 451 G HN 0.796 nan 8.290 nan 0.000 0.538 452 Y N 0.678 120.980 120.300 0.003 0.000 2.905 452 Y HA 0.554 5.104 4.550 0.000 0.000 0.322 452 Y C 0.361 176.269 175.900 0.014 0.000 1.455 452 Y CA -1.450 56.658 58.100 0.013 0.000 1.083 452 Y CB 0.614 39.090 38.460 0.026 0.000 1.473 452 Y HN 0.601 nan 8.280 nan 0.000 0.449 453 N N 1.154 119.981 118.700 0.211 0.000 2.515 453 N HA 0.510 5.250 4.740 0.000 0.000 0.279 453 N C -1.309 174.262 175.510 0.101 0.000 1.164 453 N CA -0.189 52.932 53.050 0.118 0.000 0.982 453 N CB 1.742 40.282 38.487 0.089 0.000 1.170 453 N HN 0.624 nan 8.380 nan 0.000 0.474 454 I N 0.783 121.395 120.570 0.070 0.000 2.607 454 I HA 0.402 4.572 4.170 0.000 0.000 0.290 454 I C -1.620 174.529 176.117 0.054 0.000 1.129 454 I CA -0.677 60.656 61.300 0.054 0.000 1.042 454 I CB 1.729 39.746 38.000 0.027 0.000 1.242 454 I HN 0.146 nan 8.210 nan 0.000 0.421 455 V N 7.213 127.168 119.914 0.069 0.000 2.781 455 V HA 0.287 4.407 4.120 0.000 0.000 0.289 455 V C -1.141 174.993 176.094 0.066 0.000 1.275 455 V CA -0.400 61.941 62.300 0.069 0.000 0.936 455 V CB 1.681 33.555 31.823 0.084 0.000 1.074 455 V HN 0.949 nan 8.190 nan 0.000 0.444 456 D N 4.903 125.304 120.400 0.001 0.000 2.689 456 D HA -0.190 4.450 4.640 0.000 0.000 0.237 456 D C 0.405 176.572 176.300 -0.221 0.000 1.148 456 D CA 1.084 55.041 54.000 -0.072 0.000 0.656 456 D CB -0.866 39.911 40.800 -0.037 0.000 1.050 456 D HN 1.010 nan 8.370 nan 0.000 0.426 457 D N -1.940 118.373 120.400 -0.146 0.000 2.946 457 D HA -0.229 4.411 4.640 0.000 0.000 0.202 457 D C 0.337 176.548 176.300 -0.149 0.000 1.068 457 D CA 1.961 55.861 54.000 -0.166 0.000 1.011 457 D CB -1.926 38.766 40.800 -0.181 0.000 1.105 457 D HN 0.898 nan 8.370 nan 0.000 0.425 458 H N -0.982 118.088 119.070 0.001 0.000 2.679 458 H HA 0.590 5.146 4.556 0.000 0.000 0.360 458 H C 0.162 175.501 175.328 0.019 0.000 1.105 458 H CA -1.512 54.541 56.048 0.008 0.000 1.196 458 H CB 1.897 31.668 29.762 0.015 0.000 1.636 458 H HN 0.031 nan 8.280 nan 0.000 0.531 459 L N 1.734 123.063 121.223 0.176 0.000 2.350 459 L HA 0.395 4.735 4.340 0.000 0.000 0.275 459 L C -0.077 176.853 176.870 0.100 0.000 1.099 459 L CA -0.766 54.150 54.840 0.128 0.000 0.808 459 L CB 1.009 43.150 42.059 0.138 0.000 1.149 459 L HN 0.511 nan 8.230 nan 0.000 0.442 460 V N 2.486 122.451 119.914 0.084 0.000 2.546 460 V HA 0.829 4.949 4.120 0.000 0.000 0.284 460 V C 0.201 176.332 176.094 0.061 0.000 1.050 460 V CA -0.331 62.003 62.300 0.057 0.000 0.981 460 V CB 0.837 32.686 31.823 0.045 0.000 0.990 460 V HN 0.934 nan 8.190 nan 0.000 0.474 461 V N 1.993 121.941 119.914 0.056 0.000 2.876 461 V HA 0.858 4.978 4.120 0.000 0.000 0.312 461 V C -0.437 175.689 176.094 0.053 0.000 1.085 461 V CA -0.766 61.568 62.300 0.056 0.000 0.945 461 V CB 1.690 33.556 31.823 0.071 0.000 1.017 461 V HN 0.747 nan 8.190 nan 0.000 0.428 462 V N 2.990 122.926 119.914 0.036 0.000 2.487 462 V HA 0.932 5.052 4.120 0.000 0.000 0.298 462 V C 0.896 177.000 176.094 0.017 0.000 1.028 462 V CA 0.622 62.939 62.300 0.028 0.000 0.860 462 V CB 0.530 32.362 31.823 0.014 0.000 0.991 462 V HN 1.926 nan 8.190 nan 0.000 0.427 463 G N 3.921 112.730 108.800 0.015 0.000 2.642 463 G HA2 -0.080 3.880 3.960 0.000 0.000 0.231 463 G HA3 -0.080 3.880 3.960 0.000 0.000 0.231 463 G C -0.329 174.551 174.900 -0.034 0.000 1.338 463 G CA -0.414 44.677 45.100 -0.015 0.000 0.883 463 G HN 1.629 nan 8.290 nan 0.000 0.570 464 V N -0.460 119.399 119.914 -0.091 0.000 2.432 464 V HA 0.568 4.688 4.120 0.000 0.000 0.271 464 V C -1.688 174.399 176.094 -0.012 0.000 1.046 464 V CA -1.290 60.925 62.300 -0.143 0.000 0.945 464 V CB 1.242 32.867 31.823 -0.330 0.000 0.992 464 V HN 0.772 nan 8.190 nan 0.000 0.471 465 P HA 0.270 nan 4.420 nan 0.000 0.287 465 P C -0.239 176.879 177.300 -0.304 0.000 1.294 465 P CA -0.339 62.703 63.100 -0.098 0.000 0.776 465 P CB 1.305 32.977 31.700 -0.048 0.000 0.889 466 V N 2.148 121.712 119.914 -0.583 0.000 2.441 466 V HA 0.198 4.318 4.120 0.000 0.000 0.279 466 V C 1.482 177.272 176.094 -0.506 0.000 0.990 466 V CA 0.646 62.493 62.300 -0.753 0.000 1.116 466 V CB -0.805 30.368 31.823 -1.083 0.000 0.977 466 V HN 0.702 nan 8.190 nan 0.000 0.470 467 A N 4.072 126.682 122.820 -0.350 0.000 1.988 467 A HA 0.243 4.563 4.320 0.000 0.000 0.201 467 A C 1.232 178.712 177.584 -0.174 0.000 1.410 467 A CA 0.814 52.717 52.037 -0.223 0.000 0.832 467 A CB -0.161 18.743 19.000 -0.159 0.000 0.981 467 A HN 0.883 nan 8.150 nan 0.000 0.492 468 C N -0.503 118.667 119.300 -0.217 0.000 2.470 468 C HA 0.706 5.166 4.460 0.000 0.000 0.350 468 C C 0.685 175.560 174.990 -0.192 0.000 1.341 468 C CA -0.867 58.014 59.018 -0.229 0.000 2.440 468 C CB 0.454 28.053 27.740 -0.235 0.000 2.295 468 C HN 0.355 nan 8.230 nan 0.000 0.645 469 S N 1.555 117.144 115.700 -0.185 0.000 2.549 469 S HA 0.524 4.994 4.470 0.000 0.000 0.297 469 S C -2.241 172.173 174.600 -0.311 0.000 1.115 469 S CA -0.464 57.594 58.200 -0.236 0.000 1.059 469 S CB 1.368 64.606 63.200 0.063 0.000 1.046 469 S HN 0.711 nan 8.310 nan 0.000 0.506 470 P HA 0.212 nan 4.420 nan 0.000 0.249 470 P C -0.412 176.661 177.300 -0.377 0.000 1.593 470 P CA 0.206 62.970 63.100 -0.561 0.000 0.896 470 P CB -0.379 30.773 31.700 -0.915 0.000 1.581 471 Y N -1.700 118.619 120.300 0.033 0.000 2.478 471 Y HA 0.235 4.785 4.550 0.000 0.000 0.261 471 Y C 2.009 178.013 175.900 0.174 0.000 1.127 471 Y CA 0.010 58.242 58.100 0.220 0.000 1.288 471 Y CB 0.152 38.720 38.460 0.181 0.000 1.084 471 Y HN -0.118 nan 8.280 nan 0.000 0.530 472 M N 0.519 120.263 119.600 0.239 0.000 2.563 472 M HA 0.217 4.697 4.480 0.000 0.000 0.231 472 M C -0.345 176.042 176.300 0.144 0.000 1.136 472 M CA 0.815 56.238 55.300 0.205 0.000 1.026 472 M CB -0.260 32.472 32.600 0.221 0.000 1.597 472 M HN 0.241 nan 8.290 nan 0.000 0.495 473 I N -5.399 115.246 120.570 0.126 0.000 2.785 473 I HA 0.119 4.289 4.170 0.000 0.000 0.292 473 I C 0.322 176.475 176.117 0.061 0.000 1.692 473 I CA -0.353 60.984 61.300 0.061 0.000 0.765 473 I CB -0.879 37.120 38.000 -0.003 0.000 1.872 473 I HN -0.167 nan 8.210 nan 0.000 0.554 474 F N 4.139 124.115 119.950 0.044 0.000 2.202 474 F HA 0.040 4.567 4.527 0.000 0.000 0.301 474 F C -0.489 175.338 175.800 0.044 0.000 1.082 474 F CA 1.677 59.701 58.000 0.040 0.000 1.313 474 F CB -0.441 38.633 39.000 0.124 0.000 1.024 474 F HN 0.244 nan 8.300 nan 0.000 0.495 475 P HA -0.054 nan 4.420 nan 0.000 0.226 475 P C 0.350 177.596 177.300 -0.091 0.000 1.153 475 P CA 1.012 64.110 63.100 -0.002 0.000 0.777 475 P CB -0.776 30.956 31.700 0.052 0.000 0.794 476 V N -1.699 118.149 119.914 -0.110 0.000 2.928 476 V HA 0.364 4.484 4.120 0.000 0.000 0.307 476 V C 0.274 176.321 176.094 -0.078 0.000 1.105 476 V CA -0.394 61.850 62.300 -0.094 0.000 1.223 476 V CB -0.733 31.032 31.823 -0.096 0.000 0.930 476 V HN 0.223 nan 8.190 nan 0.000 0.499 477 A N 3.376 126.147 122.820 -0.081 0.000 2.679 477 A HA 0.792 5.112 4.320 0.000 0.000 0.288 477 A C 0.447 177.903 177.584 -0.215 0.000 1.160 477 A CA -0.051 51.970 52.037 -0.027 0.000 0.763 477 A CB 0.992 20.023 19.000 0.051 0.000 1.270 477 A HN 2.163 nan 8.150 nan 0.000 0.417 478 A N 1.787 124.258 122.820 -0.581 0.000 2.223 478 A HA 0.575 4.895 4.320 0.000 0.000 0.222 478 A C 0.010 176.822 177.584 -1.286 0.000 1.317 478 A CA 0.733 52.184 52.037 -0.977 0.000 0.985 478 A CB -0.900 17.244 19.000 -1.426 0.000 0.858 478 A HN 0.710 nan 8.150 nan 0.000 0.496 479 F N -2.818 117.095 119.950 -0.062 0.000 2.950 479 F HA 0.392 4.919 4.527 0.000 0.000 0.327 479 F C 0.194 176.012 175.800 0.029 0.000 1.197 479 F CA -0.960 57.050 58.000 0.017 0.000 0.954 479 F CB 1.067 40.122 39.000 0.091 0.000 1.442 479 F HN -0.085 nan 8.300 nan 0.000 0.509 480 D N 0.095 120.660 120.400 0.275 0.000 2.571 480 D HA 0.240 4.880 4.640 0.000 0.000 0.239 480 D C -0.734 175.646 176.300 0.133 0.000 1.267 480 D CA 0.541 54.634 54.000 0.154 0.000 0.823 480 D CB 0.964 41.834 40.800 0.116 0.000 1.056 480 D HN 0.380 nan 8.370 nan 0.000 0.494 481 T N -0.148 114.504 114.554 0.163 0.000 2.883 481 T HA 0.571 4.921 4.350 0.000 0.000 0.296 481 T C -0.418 174.355 174.700 0.122 0.000 1.117 481 T CA -0.653 61.510 62.100 0.104 0.000 1.006 481 T CB 2.260 71.153 68.868 0.041 0.000 1.191 481 T HN -0.029 nan 8.240 nan 0.000 0.508 482 A N 2.355 125.239 122.820 0.106 0.000 2.444 482 A HA 0.590 4.910 4.320 0.000 0.000 0.273 482 A C 0.319 177.938 177.584 0.058 0.000 1.136 482 A CA -0.209 51.919 52.037 0.151 0.000 0.799 482 A CB -0.943 18.181 19.000 0.206 0.000 1.081 482 A HN 0.931 nan 8.150 nan 0.000 0.509 483 N N 1.219 119.928 118.700 0.015 0.000 2.972 483 N HA 0.587 5.327 4.740 0.000 0.000 0.262 483 N C -2.750 172.516 175.510 -0.407 0.000 1.478 483 N CA -1.582 51.212 53.050 -0.426 0.000 0.841 483 N CB 1.175 39.622 38.487 -0.067 0.000 1.512 483 N HN 0.036 nan 8.380 nan 0.000 0.548 484 P HA -0.161 nan 4.420 nan 0.000 0.217 484 P C 0.549 177.595 177.300 -0.424 0.000 1.151 484 P CA 1.467 63.822 63.100 -1.241 0.000 0.849 484 P CB -0.135 29.872 31.700 -2.822 0.000 0.787 485 Y N -1.163 119.157 120.300 0.032 0.000 2.274 485 Y HA -0.147 4.403 4.550 0.000 0.000 0.290 485 Y C 1.941 177.711 175.900 -0.216 0.000 1.145 485 Y CA 0.077 58.194 58.100 0.027 0.000 1.203 485 Y CB -1.201 37.344 38.460 0.142 0.000 0.984 485 Y HN -0.018 nan 8.280 nan 0.000 0.533 486 C N -0.626 118.718 119.300 0.073 0.000 2.713 486 C HA 0.181 4.641 4.460 0.000 0.000 0.330 486 C C 2.446 177.469 174.990 0.055 0.000 1.416 486 C CA 0.291 59.346 59.018 0.063 0.000 2.351 486 C CB 0.087 27.922 27.740 0.159 0.000 2.388 486 C HN 0.651 nan 8.230 nan 0.000 0.729 487 G N 0.535 109.419 108.800 0.140 0.000 2.494 487 G HA2 0.128 4.088 3.960 0.000 0.000 0.216 487 G HA3 0.128 4.088 3.960 0.000 0.000 0.216 487 G C 0.140 175.163 174.900 0.206 0.000 1.140 487 G CA 0.895 46.148 45.100 0.255 0.000 0.801 487 G HN 0.945 nan 8.290 nan 0.000 0.536 488 N N -1.429 117.357 118.700 0.144 0.000 3.171 488 N HA 0.461 5.201 4.740 0.000 0.000 0.239 488 N C -1.088 174.478 175.510 0.093 0.000 1.275 488 N CA -1.125 51.933 53.050 0.014 0.000 0.920 488 N CB 0.651 39.112 38.487 -0.044 0.000 1.554 488 N HN 0.231 nan 8.380 nan 0.000 0.504 489 F N -2.184 117.752 119.950 -0.023 0.000 2.745 489 F HA 0.878 5.405 4.527 0.000 0.000 0.316 489 F C -1.761 174.035 175.800 -0.007 0.000 1.155 489 F CA -1.107 56.881 58.000 -0.020 0.000 0.937 489 F CB 0.984 39.949 39.000 -0.058 0.000 1.361 489 F HN 0.264 nan 8.300 nan 0.000 0.472 490 V N 2.193 122.259 119.914 0.254 0.000 2.604 490 V HA 0.431 4.551 4.120 0.000 0.000 0.305 490 V C -0.258 176.010 176.094 0.290 0.000 1.043 490 V CA -0.799 61.604 62.300 0.172 0.000 0.888 490 V CB 1.949 33.846 31.823 0.124 0.000 0.995 490 V HN 0.691 nan 8.190 nan 0.000 0.429 491 I N 4.838 125.566 120.570 0.263 0.000 2.322 491 I HA 0.261 4.431 4.170 0.000 0.000 0.292 491 I C 0.296 176.642 176.117 0.381 0.000 1.060 491 I CA -0.166 61.312 61.300 0.296 0.000 1.309 491 I CB 0.584 38.740 38.000 0.260 0.000 1.415 491 I HN 0.614 nan 8.210 nan 0.000 0.492 492 K N 4.655 125.277 120.400 0.371 0.000 2.520 492 K HA 0.666 4.986 4.320 0.000 0.000 0.256 492 K C 0.043 176.859 176.600 0.360 0.000 1.033 492 K CA -0.668 55.876 56.287 0.428 0.000 1.007 492 K CB 0.414 33.054 32.500 0.234 0.000 1.330 492 K HN 0.572 nan 8.250 nan 0.000 0.507 493 A N 0.622 123.487 122.820 0.076 0.000 2.492 493 A HA 0.417 4.737 4.320 0.000 0.000 0.254 493 A C -0.018 177.322 177.584 -0.406 0.000 1.091 493 A CA -0.133 51.639 52.037 -0.441 0.000 0.768 493 A CB -0.678 18.209 19.000 -0.189 0.000 1.028 493 A HN 0.628 nan 8.150 nan 0.000 0.498 494 A N 2.935 125.296 122.820 -0.763 0.000 2.548 494 A HA 0.214 4.534 4.320 0.000 0.000 0.247 494 A C 1.062 178.134 177.584 -0.853 0.000 1.067 494 A CA 0.245 51.469 52.037 -1.355 0.000 0.757 494 A CB -0.501 17.299 19.000 -2.001 0.000 0.996 494 A HN 1.092 nan 8.150 nan 0.000 0.504 495 N N 0.831 119.188 118.700 -0.571 0.000 2.585 495 N HA -0.040 4.700 4.740 0.000 0.000 0.188 495 N C 0.102 175.416 175.510 -0.326 0.000 1.102 495 N CA 1.481 54.334 53.050 -0.329 0.000 0.920 495 N CB -0.041 38.322 38.487 -0.207 0.000 0.963 495 N HN 0.554 nan 8.380 nan 0.000 0.447 496 K N -0.846 119.247 120.400 -0.511 0.000 2.543 496 K HA 0.352 4.672 4.320 0.000 0.000 0.255 496 K C -2.220 174.063 176.600 -0.529 0.000 0.934 496 K CA -0.744 55.320 56.287 -0.372 0.000 0.810 496 K CB 0.798 33.140 32.500 -0.263 0.000 1.315 496 K HN 0.058 nan 8.250 nan 0.000 0.433 497 Y N 3.559 123.764 120.300 -0.158 0.000 2.524 497 Y HA 0.730 5.280 4.550 0.000 0.000 0.344 497 Y C -0.235 175.617 175.900 -0.081 0.000 1.012 497 Y CA -0.720 57.312 58.100 -0.114 0.000 1.068 497 Y CB 1.700 40.091 38.460 -0.116 0.000 1.249 497 Y HN 0.545 nan 8.280 nan 0.000 0.468 498 L N -1.688 119.625 121.223 0.150 0.000 2.947 498 L HA 0.606 4.946 4.340 0.000 0.000 0.272 498 L C 0.465 177.400 176.870 0.107 0.000 1.071 498 L CA -1.250 53.638 54.840 0.079 0.000 0.987 498 L CB 1.080 43.142 42.059 0.005 0.000 1.577 498 L HN 0.358 nan 8.230 nan 0.000 0.373 499 R N -0.518 120.031 120.500 0.081 0.000 2.115 499 R HA 0.073 4.413 4.340 0.000 0.000 0.230 499 R C 1.174 177.540 176.300 0.111 0.000 1.111 499 R CA 1.738 57.884 56.100 0.076 0.000 0.976 499 R CB -0.034 30.297 30.300 0.052 0.000 0.870 499 R HN 0.533 nan 8.270 nan 0.000 0.445 500 K N -1.328 119.188 120.400 0.193 0.000 2.355 500 K HA 0.211 4.531 4.320 0.000 0.000 0.198 500 K C 0.353 177.067 176.600 0.190 0.000 1.039 500 K CA 0.336 56.737 56.287 0.189 0.000 1.075 500 K CB 1.719 34.349 32.500 0.216 0.000 0.870 500 K HN 0.226 nan 8.250 nan 0.000 0.540 501 G N 0.408 109.418 108.800 0.349 0.000 2.323 501 G HA2 0.478 4.438 3.960 0.000 0.000 0.291 501 G HA3 0.478 4.438 3.960 0.000 0.000 0.291 501 G C -1.933 173.296 174.900 0.549 0.000 1.278 501 G CA -0.392 44.912 45.100 0.340 0.000 0.860 501 G HN 0.079 nan 8.290 nan 0.000 0.504 502 A N -0.905 122.212 122.820 0.494 0.000 2.414 502 A HA 0.920 5.240 4.320 0.000 0.000 0.306 502 A C 0.095 177.857 177.584 0.296 0.000 1.054 502 A CA 0.023 52.161 52.037 0.168 0.000 0.724 502 A CB 1.495 20.320 19.000 -0.292 0.000 1.267 502 A HN 2.291 nan 8.150 nan 0.000 0.418 503 V N -0.169 119.724 119.914 -0.036 0.000 2.785 503 V HA 0.847 4.967 4.120 0.000 0.000 0.300 503 V C -0.722 175.282 176.094 -0.150 0.000 1.062 503 V CA -0.231 62.109 62.300 0.068 0.000 1.029 503 V CB 0.592 32.360 31.823 -0.091 0.000 1.024 503 V HN 0.796 nan 8.190 nan 0.000 0.477 504 Y N -0.304 120.036 120.300 0.067 0.000 2.655 504 Y HA 0.533 5.083 4.550 0.000 0.000 0.336 504 Y C -0.260 175.678 175.900 0.063 0.000 1.154 504 Y CA -0.993 57.122 58.100 0.025 0.000 1.055 504 Y CB 1.403 39.887 38.460 0.040 0.000 1.295 504 Y HN 0.663 nan 8.280 nan 0.000 0.465 505 D N 0.629 121.147 120.400 0.197 0.000 2.339 505 D HA 0.199 4.839 4.640 0.000 0.000 0.245 505 D C 0.649 177.021 176.300 0.119 0.000 1.115 505 D CA -0.095 53.966 54.000 0.101 0.000 0.917 505 D CB 1.228 42.028 40.800 0.000 0.000 1.192 505 D HN 0.467 nan 8.370 nan 0.000 0.428 506 K N 0.609 121.063 120.400 0.090 0.000 2.127 506 K HA -0.215 4.105 4.320 0.000 0.000 0.212 506 K C 1.831 178.519 176.600 0.147 0.000 1.050 506 K CA 1.136 57.516 56.287 0.155 0.000 0.929 506 K CB -0.043 32.534 32.500 0.129 0.000 0.715 506 K HN 0.379 nan 8.250 nan 0.000 0.457 507 L N 0.673 121.771 121.223 -0.209 0.000 2.049 507 L HA -0.146 4.194 4.340 0.000 0.000 0.203 507 L C 2.196 179.090 176.870 0.040 0.000 1.074 507 L CA 1.168 55.926 54.840 -0.137 0.000 0.749 507 L CB -0.125 41.597 42.059 -0.561 0.000 0.907 507 L HN 0.177 nan 8.230 nan 0.000 0.439 508 E N 0.300 120.498 120.200 -0.003 0.000 2.171 508 E HA -0.250 4.100 4.350 0.000 0.000 0.197 508 E C 2.022 178.587 176.600 -0.059 0.000 0.997 508 E CA 1.344 57.761 56.400 0.029 0.000 0.810 508 E CB -0.244 29.556 29.700 0.167 0.000 0.738 508 E HN 0.593 nan 8.360 nan 0.000 0.467 509 A N 0.030 122.851 122.820 0.002 0.000 1.897 509 A HA -0.132 4.188 4.320 0.000 0.000 0.215 509 A C 2.039 179.493 177.584 -0.216 0.000 1.181 509 A CA 1.167 53.114 52.037 -0.150 0.000 0.620 509 A CB -0.945 18.146 19.000 0.152 0.000 0.821 509 A HN 0.424 nan 8.150 nan 0.000 0.443 510 W N 0.893 122.124 121.300 -0.116 0.000 2.388 510 W HA -0.066 4.594 4.660 0.000 0.000 0.294 510 W C 1.992 178.372 176.519 -0.231 0.000 1.212 510 W CA 1.733 59.019 57.345 -0.099 0.000 1.271 510 W CB -0.083 29.441 29.460 0.107 0.000 1.126 510 W HN 0.240 nan 8.180 nan 0.000 0.535 511 K N 0.215 120.385 120.400 -0.383 0.000 2.063 511 K HA -0.221 4.099 4.320 0.000 0.000 0.208 511 K C 2.202 178.520 176.600 -0.471 0.000 1.048 511 K CA 1.845 57.684 56.287 -0.746 0.000 0.928 511 K CB -0.568 31.607 32.500 -0.542 0.000 0.713 511 K HN 0.344 nan 8.250 nan 0.000 0.442 512 L N -0.099 120.928 121.223 -0.327 0.000 2.007 512 L HA -0.069 4.271 4.340 0.000 0.000 0.205 512 L C 2.247 178.938 176.870 -0.298 0.000 1.073 512 L CA 1.577 56.281 54.840 -0.228 0.000 0.744 512 L CB -0.452 41.401 42.059 -0.344 0.000 0.898 512 L HN 0.146 nan 8.230 nan 0.000 0.435 513 A N -0.639 121.847 122.820 -0.556 0.000 1.986 513 A HA -0.317 4.003 4.320 0.000 0.000 0.220 513 A C 1.991 179.329 177.584 -0.411 0.000 1.171 513 A CA 2.017 53.658 52.037 -0.659 0.000 0.640 513 A CB -1.395 16.633 19.000 -1.620 0.000 0.811 513 A HN 0.832 nan 8.150 nan 0.000 0.451 514 W N 0.166 121.079 121.300 -0.646 0.000 2.408 514 W HA -0.008 4.652 4.660 0.000 0.000 0.311 514 W C 2.415 178.717 176.519 -0.362 0.000 1.190 514 W CA 2.040 59.001 57.345 -0.641 0.000 1.321 514 W CB -0.141 28.642 29.460 -1.129 0.000 1.143 514 W HN 0.292 nan 8.180 nan 0.000 0.501 515 A N 0.089 123.029 122.820 0.200 0.000 2.119 515 A HA -0.075 4.245 4.320 0.000 0.000 0.217 515 A C 1.890 179.534 177.584 0.101 0.000 1.153 515 A CA 1.078 53.263 52.037 0.246 0.000 0.692 515 A CB -0.723 18.552 19.000 0.458 0.000 0.799 515 A HN 0.385 nan 8.150 nan 0.000 0.458 516 L N -0.135 121.070 121.223 -0.029 0.000 2.072 516 L HA -0.088 4.252 4.340 0.000 0.000 0.205 516 L C 2.611 179.466 176.870 -0.025 0.000 1.079 516 L CA 2.272 57.092 54.840 -0.033 0.000 0.752 516 L CB -0.857 41.133 42.059 -0.114 0.000 0.906 516 L HN 0.586 nan 8.230 nan 0.000 0.436 517 R N -0.062 120.336 120.500 -0.170 0.000 2.075 517 R HA -0.099 4.241 4.340 0.000 0.000 0.232 517 R C 1.913 178.041 176.300 -0.286 0.000 1.126 517 R CA 1.906 57.885 56.100 -0.201 0.000 0.963 517 R CB -1.227 28.896 30.300 -0.294 0.000 0.858 517 R HN 0.147 nan 8.270 nan 0.000 0.435 518 V N 1.185 120.831 119.914 -0.447 0.000 2.720 518 V HA -0.092 4.028 4.120 0.000 0.000 0.256 518 V C 2.102 177.989 176.094 -0.345 0.000 1.082 518 V CA 1.693 63.674 62.300 -0.532 0.000 1.101 518 V CB -0.803 30.645 31.823 -0.625 0.000 0.693 518 V HN 0.567 nan 8.190 nan 0.000 0.479 519 A N -0.477 122.253 122.820 -0.151 0.000 2.251 519 A HA 0.468 4.788 4.320 0.000 0.000 0.209 519 A C 1.674 179.231 177.584 -0.045 0.000 1.187 519 A CA 0.748 52.674 52.037 -0.185 0.000 0.823 519 A CB -0.295 18.613 19.000 -0.152 0.000 0.846 519 A HN 1.232 nan 8.150 nan 0.000 0.486 520 G N -1.482 107.304 108.800 -0.024 0.000 2.325 520 G HA2 -0.210 3.750 3.960 0.000 0.000 0.248 520 G HA3 -0.210 3.750 3.960 0.000 0.000 0.248 520 G C -0.477 174.252 174.900 -0.285 0.000 1.108 520 G CA 0.126 45.185 45.100 -0.068 0.000 0.881 520 G HN 0.489 nan 8.290 nan 0.000 0.494 521 Y N -0.712 119.588 120.300 -0.001 0.000 2.513 521 Y HA 0.508 5.058 4.550 0.000 0.000 0.340 521 Y C -0.366 175.526 175.900 -0.014 0.000 1.055 521 Y CA -1.178 56.931 58.100 0.014 0.000 1.020 521 Y CB 1.875 40.340 38.460 0.007 0.000 1.301 521 Y HN 0.093 nan 8.280 nan 0.000 0.453 522 D N 1.731 122.234 120.400 0.172 0.000 2.274 522 D HA 0.260 4.900 4.640 0.000 0.000 0.239 522 D C -0.755 175.588 176.300 0.071 0.000 1.104 522 D CA -0.068 53.977 54.000 0.075 0.000 0.840 522 D CB 1.691 42.530 40.800 0.066 0.000 1.100 522 D HN 0.443 nan 8.370 nan 0.000 0.477 523 T N 3.644 118.211 114.554 0.022 0.000 2.743 523 T HA 0.221 4.571 4.350 0.000 0.000 0.293 523 T C 0.138 174.942 174.700 0.173 0.000 0.945 523 T CA -0.433 61.721 62.100 0.089 0.000 1.030 523 T CB 0.640 69.480 68.868 -0.046 0.000 0.912 523 T HN 0.227 nan 8.240 nan 0.000 0.483 524 H N 2.759 122.002 119.070 0.288 0.000 2.533 524 H HA 0.630 5.186 4.556 0.000 0.000 0.343 524 H C -0.407 175.116 175.328 0.325 0.000 1.160 524 H CA -0.509 55.689 56.048 0.251 0.000 1.218 524 H CB 1.679 31.466 29.762 0.042 0.000 1.566 524 H HN 0.644 nan 8.280 nan 0.000 0.522 525 F N -0.952 119.070 119.950 0.120 0.000 2.745 525 F HA 0.610 5.137 4.527 0.000 0.000 0.316 525 F C -1.314 174.425 175.800 -0.101 0.000 1.155 525 F CA -1.296 56.717 58.000 0.022 0.000 0.937 525 F CB 1.751 40.838 39.000 0.145 0.000 1.361 525 F HN 0.267 nan 8.300 nan 0.000 0.472 526 K N 2.155 122.558 120.400 0.006 0.000 2.729 526 K HA 0.545 4.865 4.320 0.000 0.000 0.269 526 K C -1.667 175.015 176.600 0.137 0.000 1.065 526 K CA -0.571 55.674 56.287 -0.070 0.000 1.000 526 K CB 1.676 34.147 32.500 -0.048 0.000 1.283 526 K HN 0.841 nan 8.250 nan 0.000 0.491 527 V N 1.163 121.084 119.914 0.012 0.000 2.997 527 V HA 0.356 4.476 4.120 0.000 0.000 0.311 527 V C 0.871 176.994 176.094 0.050 0.000 1.066 527 V CA -0.376 61.914 62.300 -0.016 0.000 1.039 527 V CB 0.437 32.015 31.823 -0.409 0.000 1.081 527 V HN 0.733 nan 8.190 nan 0.000 0.467 528 Y N 0.579 120.909 120.300 0.051 0.000 2.688 528 Y HA 0.577 5.127 4.550 0.000 0.000 0.311 528 Y C 0.915 176.838 175.900 0.039 0.000 1.185 528 Y CA -0.279 57.849 58.100 0.045 0.000 1.336 528 Y CB -1.293 37.191 38.460 0.039 0.000 1.015 528 Y HN 0.829 nan 8.280 nan 0.000 0.522 529 G N -0.774 107.989 108.800 -0.062 0.000 2.730 529 G HA2 0.434 4.394 3.960 0.000 0.000 0.289 529 G HA3 0.434 4.394 3.960 0.000 0.000 0.289 529 G C -1.844 173.044 174.900 -0.021 0.000 1.341 529 G CA -0.844 44.235 45.100 -0.034 0.000 0.932 529 G HN 0.116 nan 8.290 nan 0.000 0.481 530 D N -0.331 120.043 120.400 -0.043 0.000 2.476 530 D HA 0.515 5.155 4.640 0.000 0.000 0.251 530 D C -0.997 175.203 176.300 -0.167 0.000 1.291 530 D CA -0.148 53.773 54.000 -0.132 0.000 0.939 530 D CB 1.704 42.423 40.800 -0.136 0.000 1.221 530 D HN 0.336 nan 8.370 nan 0.000 0.567 531 T N 2.623 117.056 114.554 -0.200 0.000 4.803 531 T HA 0.028 4.378 4.350 0.000 0.000 0.158 531 T C -1.706 172.989 174.700 -0.007 0.000 0.666 531 T CA -0.555 61.471 62.100 -0.124 0.000 0.946 531 T CB -0.810 68.032 68.868 -0.043 0.000 0.933 531 T HN 0.572 nan 8.240 nan 0.000 0.444 532 H N -1.512 117.586 119.070 0.046 0.000 2.547 532 H HA 0.734 5.290 4.556 0.000 0.000 0.342 532 H C 1.142 176.488 175.328 0.029 0.000 1.048 532 H CA -0.451 55.654 56.048 0.095 0.000 1.204 532 H CB 1.330 31.106 29.762 0.023 0.000 1.493 532 H HN 0.143 nan 8.280 nan 0.000 0.511 533 G N 2.046 110.971 108.800 0.209 0.000 2.484 533 G HA2 0.204 4.164 3.960 0.000 0.000 0.218 533 G HA3 0.204 4.164 3.960 0.000 0.000 0.218 533 G C -0.097 174.945 174.900 0.236 0.000 1.130 533 G CA 1.059 46.220 45.100 0.103 0.000 0.784 533 G HN 0.635 nan 8.290 nan 0.000 0.543 534 L N -1.426 120.018 121.223 0.368 0.000 3.079 534 L HA 0.455 4.795 4.340 0.000 0.000 0.278 534 L C -0.891 175.779 176.870 -0.333 0.000 1.026 534 L CA -0.410 54.469 54.840 0.065 0.000 0.963 534 L CB 1.425 43.491 42.059 0.012 0.000 1.526 534 L HN 0.020 nan 8.230 nan 0.000 0.397 535 T N 0.828 115.088 114.554 -0.489 0.000 2.743 535 T HA 0.703 5.053 4.350 0.000 0.000 0.292 535 T C -0.531 173.998 174.700 -0.285 0.000 0.972 535 T CA -0.310 61.330 62.100 -0.768 0.000 0.967 535 T CB 0.776 69.267 68.868 -0.629 0.000 0.926 535 T HN 0.901 nan 8.240 nan 0.000 0.459 536 K N 3.215 123.548 120.400 -0.111 0.000 1.412 536 K HA -0.093 4.227 4.320 0.000 0.000 1.032 536 K C -1.564 175.268 176.600 0.386 0.000 0.622 536 K CA -0.628 55.718 56.287 0.098 0.000 0.787 536 K CB -0.501 31.940 32.500 -0.099 0.000 3.402 536 K HN 0.589 nan 8.250 nan 0.000 0.132 537 F N 4.869 125.019 119.950 0.334 0.000 2.506 537 F HA -0.031 4.496 4.527 0.000 0.000 0.387 537 F C 0.744 176.652 175.800 0.181 0.000 1.053 537 F CA 0.613 58.746 58.000 0.220 0.000 1.083 537 F CB -0.055 38.994 39.000 0.081 0.000 1.010 537 F HN 0.312 nan 8.300 nan 0.000 0.551 538 Y N 4.119 124.553 120.300 0.224 0.000 2.425 538 Y HA 0.503 5.053 4.550 0.000 0.000 0.331 538 Y C -0.297 175.718 175.900 0.191 0.000 1.157 538 Y CA -0.949 57.261 58.100 0.183 0.000 1.372 538 Y CB 0.421 38.980 38.460 0.164 0.000 1.253 538 Y HN 0.611 nan 8.280 nan 0.000 0.536 539 A N 5.053 127.391 122.820 -0.803 0.000 2.574 539 A HA 0.484 4.804 4.320 0.000 0.000 0.297 539 A C -1.952 175.205 177.584 -0.712 0.000 1.062 539 A CA -0.780 50.814 52.037 -0.738 0.000 0.686 539 A CB 1.428 20.201 19.000 -0.379 0.000 1.285 539 A HN 0.700 nan 8.150 nan 0.000 0.403 540 D N 0.561 120.674 120.400 -0.478 0.000 2.342 540 D HA 0.449 5.089 4.640 0.000 0.000 0.243 540 D C -0.479 175.795 176.300 -0.044 0.000 1.019 540 D CA -0.270 53.649 54.000 -0.135 0.000 0.864 540 D CB 1.088 41.949 40.800 0.102 0.000 1.315 540 D HN 0.452 nan 8.370 nan 0.000 0.468 541 N N 1.125 119.830 118.700 0.009 0.000 2.479 541 N HA 0.390 5.130 4.740 0.000 0.000 0.257 541 N C 1.029 176.570 175.510 0.052 0.000 1.232 541 N CA 0.936 53.995 53.050 0.016 0.000 0.920 541 N CB 1.372 39.877 38.487 0.029 0.000 1.105 541 N HN 0.751 nan 8.380 nan 0.000 0.444 542 G N 1.084 109.918 108.800 0.056 0.000 2.659 542 G HA2 -0.248 3.712 3.960 0.000 0.000 0.202 542 G HA3 -0.248 3.712 3.960 0.000 0.000 0.202 542 G C 0.295 175.242 174.900 0.078 0.000 1.186 542 G CA 0.449 45.594 45.100 0.076 0.000 0.783 542 G HN 0.655 nan 8.290 nan 0.000 0.521 543 D N 0.576 121.038 120.400 0.102 0.000 2.498 543 D HA 0.073 4.713 4.640 0.000 0.000 0.223 543 D C 1.310 177.764 176.300 0.256 0.000 1.125 543 D CA 1.679 55.787 54.000 0.181 0.000 0.835 543 D CB -0.532 40.421 40.800 0.255 0.000 1.086 543 D HN 1.387 nan 8.370 nan 0.000 0.510 544 T N -1.834 112.772 114.554 0.086 0.000 3.799 544 T HA -0.265 4.085 4.350 0.000 0.000 0.358 544 T C -0.207 174.439 174.700 -0.090 0.000 0.759 544 T CA 0.380 62.433 62.100 -0.080 0.000 1.869 544 T CB -2.771 65.952 68.868 -0.242 0.000 1.837 544 T HN 0.542 nan 8.240 nan 0.000 0.762 545 W N 2.218 123.446 121.300 -0.120 0.000 2.332 545 W HA 0.478 5.138 4.660 0.000 0.000 0.306 545 W C -0.552 175.816 176.519 -0.252 0.000 1.149 545 W CA -0.661 56.660 57.345 -0.040 0.000 1.271 545 W CB 1.180 30.694 29.460 0.089 0.000 1.243 545 W HN 0.241 nan 8.180 nan 0.000 0.459 546 T N 6.433 120.664 114.554 -0.538 0.000 2.775 546 T HA 0.036 4.386 4.350 0.000 0.000 0.287 546 T C -0.085 174.791 174.700 0.294 0.000 0.909 546 T CA 0.324 62.315 62.100 -0.182 0.000 1.081 546 T CB -0.395 68.337 68.868 -0.227 0.000 0.891 546 T HN 0.250 nan 8.240 nan 0.000 0.544 547 H N 1.706 121.040 119.070 0.441 0.000 2.897 547 H HA 0.153 4.709 4.556 0.000 0.000 0.347 547 H C 0.852 176.442 175.328 0.437 0.000 1.068 547 H CA -0.779 55.584 56.048 0.526 0.000 1.426 547 H CB 0.385 30.362 29.762 0.358 0.000 1.410 547 H HN 0.550 nan 8.280 nan 0.000 0.597 548 I N 6.021 126.749 120.570 0.262 0.000 2.742 548 I HA 0.022 4.192 4.170 0.000 0.000 0.287 548 I C -2.076 173.925 176.117 -0.194 0.000 1.186 548 I CA -1.569 59.455 61.300 -0.460 0.000 1.417 548 I CB 0.262 37.792 38.000 -0.783 0.000 1.377 548 I HN 0.422 nan 8.210 nan 0.000 0.556 549 P HA -0.088 nan 4.420 nan 0.000 0.260 549 P C 0.164 177.183 177.300 -0.468 0.000 1.172 549 P CA 0.326 63.184 63.100 -0.404 0.000 0.760 549 P CB 0.608 31.837 31.700 -0.784 0.000 0.773 550 E N 5.329 125.414 120.200 -0.192 0.000 2.038 550 E HA -0.245 4.105 4.350 0.000 0.000 0.195 550 E C 1.607 178.084 176.600 -0.204 0.000 1.000 550 E CA 1.820 58.139 56.400 -0.135 0.000 0.803 550 E CB -1.361 28.337 29.700 -0.004 0.000 0.750 550 E HN 0.505 nan 8.360 nan 0.000 0.448 551 F N 0.537 120.458 119.950 -0.047 0.000 2.141 551 F HA -0.234 4.293 4.527 0.000 0.000 0.300 551 F C 2.276 178.032 175.800 -0.073 0.000 1.079 551 F CA 1.481 59.457 58.000 -0.041 0.000 1.264 551 F CB -1.316 37.698 39.000 0.023 0.000 1.011 551 F HN 0.040 nan 8.300 nan 0.000 0.487 552 V N 1.608 120.993 119.914 -0.883 0.000 2.913 552 V HA -0.174 3.946 4.120 0.000 0.000 0.260 552 V C 2.287 178.212 176.094 -0.281 0.000 1.098 552 V CA 2.328 64.338 62.300 -0.483 0.000 1.121 552 V CB -1.214 30.276 31.823 -0.555 0.000 0.714 552 V HN 0.741 nan 8.190 nan 0.000 0.487 553 T N -2.278 112.078 114.554 -0.330 0.000 3.007 553 T HA -0.048 4.302 4.350 0.000 0.000 0.270 553 T C 0.497 175.065 174.700 -0.221 0.000 1.107 553 T CA 0.715 62.623 62.100 -0.319 0.000 1.118 553 T CB -0.448 68.213 68.868 -0.346 0.000 0.889 553 T HN 0.542 nan 8.240 nan 0.000 0.506 554 D N 2.058 122.379 120.400 -0.133 0.000 2.317 554 D HA 0.477 5.117 4.640 0.000 0.000 0.234 554 D C 0.942 177.218 176.300 -0.040 0.000 1.112 554 D CA -0.252 53.701 54.000 -0.079 0.000 0.840 554 D CB 1.350 42.133 40.800 -0.028 0.000 1.078 554 D HN 0.353 nan 8.370 nan 0.000 0.486 555 G N 1.632 110.404 108.800 -0.046 0.000 2.527 555 G HA2 -0.009 3.951 3.960 0.000 0.000 0.279 555 G HA3 -0.009 3.951 3.960 0.000 0.000 0.279 555 G C 0.686 175.604 174.900 0.030 0.000 1.374 555 G CA 0.187 45.284 45.100 -0.006 0.000 1.053 555 G HN 0.749 nan 8.290 nan 0.000 0.539 556 D N -3.406 117.024 120.400 0.050 0.000 3.061 556 D HA -0.236 4.404 4.640 0.000 0.000 0.220 556 D C 0.138 176.533 176.300 0.157 0.000 1.184 556 D CA 1.158 55.211 54.000 0.088 0.000 0.922 556 D CB -1.403 39.440 40.800 0.073 0.000 1.119 556 D HN 0.587 nan 8.370 nan 0.000 0.400 557 V N 0.858 120.843 119.914 0.119 0.000 2.305 557 V HA 0.365 4.485 4.120 0.000 0.000 0.275 557 V C 1.028 177.224 176.094 0.171 0.000 1.020 557 V CA -0.637 61.708 62.300 0.074 0.000 0.811 557 V CB 1.141 32.837 31.823 -0.211 0.000 1.031 557 V HN 0.197 nan 8.190 nan 0.000 0.439 558 M N 3.445 123.221 119.600 0.293 0.000 2.441 558 M HA 0.388 4.868 4.480 0.000 0.000 0.244 558 M C 0.557 176.995 176.300 0.230 0.000 1.122 558 M CA 0.389 55.809 55.300 0.201 0.000 1.041 558 M CB 0.574 33.251 32.600 0.128 0.000 1.438 558 M HN 0.609 nan 8.290 nan 0.000 0.484 559 E N 0.495 120.920 120.200 0.374 0.000 2.288 559 E HA 0.531 4.881 4.350 0.000 0.000 0.268 559 E C -1.632 175.226 176.600 0.430 0.000 0.885 559 E CA -0.607 56.006 56.400 0.355 0.000 0.767 559 E CB 3.301 33.167 29.700 0.277 0.000 1.220 559 E HN -0.060 nan 8.360 nan 0.000 0.427 560 V N 4.642 124.790 119.914 0.390 0.000 2.823 560 V HA 0.554 4.674 4.120 0.000 0.000 0.312 560 V C -1.632 174.755 176.094 0.488 0.000 1.072 560 V CA -0.607 61.939 62.300 0.410 0.000 0.937 560 V CB 1.560 33.657 31.823 0.457 0.000 1.013 560 V HN 0.750 nan 8.190 nan 0.000 0.430 561 F N 6.537 126.653 119.950 0.276 0.000 2.311 561 F HA 0.562 5.089 4.527 0.000 0.000 0.371 561 F C -0.211 175.766 175.800 0.295 0.000 1.083 561 F CA -0.942 57.206 58.000 0.246 0.000 1.113 561 F CB 1.522 40.626 39.000 0.173 0.000 1.349 561 F HN 0.563 nan 8.300 nan 0.000 0.470 562 V N 6.965 127.079 119.914 0.333 0.000 2.439 562 V HA 0.347 4.467 4.120 0.000 0.000 0.271 562 V C -0.161 175.876 176.094 -0.095 0.000 1.040 562 V CA 0.405 62.812 62.300 0.178 0.000 1.002 562 V CB 0.920 32.849 31.823 0.175 0.000 1.000 562 V HN 0.833 nan 8.190 nan 0.000 0.477 563 T N 3.874 118.326 114.554 -0.168 0.000 2.908 563 T HA 0.770 5.120 4.350 0.000 0.000 0.290 563 T C 0.043 174.732 174.700 -0.018 0.000 1.034 563 T CA -0.239 61.726 62.100 -0.225 0.000 1.010 563 T CB 1.567 70.168 68.868 -0.445 0.000 1.068 563 T HN 2.247 nan 8.240 nan 0.000 0.481 564 A N 1.603 124.414 122.820 -0.014 0.000 1.565 564 A HA -0.077 4.243 4.320 0.000 0.000 0.204 564 A C 0.048 177.719 177.584 0.145 0.000 1.246 564 A CA 0.079 52.130 52.037 0.024 0.000 0.672 564 A CB -1.969 16.980 19.000 -0.086 0.000 1.156 564 A HN 0.914 nan 8.150 nan 0.000 0.201 565 I N 2.516 123.171 120.570 0.141 0.000 2.377 565 I HA 0.353 4.523 4.170 0.000 0.000 0.282 565 I C 0.214 176.456 176.117 0.209 0.000 1.091 565 I CA -0.371 61.036 61.300 0.179 0.000 1.207 565 I CB 0.738 38.787 38.000 0.082 0.000 1.429 565 I HN 0.683 nan 8.210 nan 0.000 0.491 566 E N 5.498 125.848 120.200 0.249 0.000 2.216 566 E HA 0.381 4.731 4.350 0.000 0.000 0.279 566 E C 0.025 176.772 176.600 0.246 0.000 0.997 566 E CA -1.039 55.493 56.400 0.221 0.000 0.817 566 E CB 0.771 30.550 29.700 0.132 0.000 1.096 566 E HN 0.433 nan 8.360 nan 0.000 0.393 567 R N 3.097 123.711 120.500 0.190 0.000 2.638 567 R HA 0.072 4.412 4.340 0.000 0.000 0.268 567 R C -0.462 175.771 176.300 -0.111 0.000 1.006 567 R CA -0.042 55.949 56.100 -0.182 0.000 1.088 567 R CB 0.491 30.513 30.300 -0.463 0.000 0.950 567 R HN 0.596 nan 8.270 nan 0.000 0.419 568 R N 1.880 122.293 120.500 -0.145 0.000 2.580 568 R HA 0.236 4.576 4.340 0.000 0.000 0.267 568 R C 1.475 177.731 176.300 -0.073 0.000 1.125 568 R CA -0.126 55.940 56.100 -0.058 0.000 1.188 568 R CB 0.310 30.593 30.300 -0.029 0.000 1.155 568 R HN 0.826 nan 8.270 nan 0.000 0.586 569 A N 1.588 124.386 122.820 -0.037 0.000 1.869 569 A HA -0.183 4.137 4.320 0.000 0.000 0.218 569 A C 0.579 178.113 177.584 -0.083 0.000 1.203 569 A CA 1.400 53.410 52.037 -0.045 0.000 0.638 569 A CB -0.412 18.577 19.000 -0.018 0.000 0.831 569 A HN 0.507 nan 8.150 nan 0.000 0.450 570 R N 0.079 120.531 120.500 -0.081 0.000 2.207 570 R HA 0.385 4.725 4.340 0.000 0.000 0.334 570 R C -0.915 175.201 176.300 -0.306 0.000 1.013 570 R CA -0.344 55.637 56.100 -0.198 0.000 0.858 570 R CB 0.640 30.879 30.300 -0.101 0.000 1.094 570 R HN 0.646 nan 8.270 nan 0.000 0.457 571 H N 2.157 120.892 119.070 -0.559 0.000 2.457 571 H HA 0.319 4.875 4.556 0.000 0.000 0.335 571 H C -0.535 174.337 175.328 -0.759 0.000 1.115 571 H CA -0.432 55.293 56.048 -0.538 0.000 1.219 571 H CB 0.674 30.178 29.762 -0.430 0.000 1.471 571 H HN 0.460 nan 8.280 nan 0.000 0.491 572 F N 2.194 121.560 119.950 -0.973 0.000 2.322 572 F HA 0.257 4.784 4.527 0.000 0.000 0.223 572 F C 0.339 175.662 175.800 -0.795 0.000 1.054 572 F CA -0.396 57.208 58.000 -0.660 0.000 1.129 572 F CB -0.070 38.677 39.000 -0.421 0.000 1.438 572 F HN 0.241 nan 8.300 nan 0.000 0.597 573 V N 1.805 121.432 119.914 -0.478 0.000 2.432 573 V HA 0.106 4.226 4.120 0.000 0.000 0.271 573 V C 0.008 175.989 176.094 -0.189 0.000 1.046 573 V CA -0.799 61.254 62.300 -0.412 0.000 0.945 573 V CB 0.701 32.143 31.823 -0.635 0.000 0.992 573 V HN 0.281 nan 8.190 nan 0.000 0.471 574 E N 4.863 125.109 120.200 0.077 0.000 2.415 574 E HA 0.419 4.769 4.350 0.000 0.000 0.262 574 E C -0.955 175.652 176.600 0.012 0.000 1.038 574 E CA -0.055 56.511 56.400 0.276 0.000 0.921 574 E CB 0.607 30.354 29.700 0.078 0.000 0.950 574 E HN 0.554 nan 8.360 nan 0.000 0.438 575 L N 3.148 124.361 121.223 -0.016 0.000 2.630 575 L HA 0.471 4.811 4.340 0.000 0.000 0.258 575 L C -2.357 174.304 176.870 -0.349 0.000 1.072 575 L CA -2.174 52.487 54.840 -0.299 0.000 0.885 575 L CB 2.022 43.868 42.059 -0.355 0.000 1.502 575 L HN 0.596 nan 8.230 nan 0.000 0.406 576 P HA 0.315 nan 4.420 nan 0.000 0.284 576 P C 0.070 177.299 177.300 -0.117 0.000 1.253 576 P CA -0.589 62.368 63.100 -0.238 0.000 0.800 576 P CB 1.165 32.699 31.700 -0.278 0.000 0.961 577 R N 1.573 122.109 120.500 0.059 0.000 2.185 577 R HA -0.141 4.199 4.340 0.000 0.000 0.247 577 R C 1.146 177.531 176.300 0.142 0.000 1.159 577 R CA 1.283 57.449 56.100 0.109 0.000 0.988 577 R CB -0.584 29.887 30.300 0.284 0.000 0.871 577 R HN 0.596 nan 8.270 nan 0.000 0.458 578 L N -0.798 120.566 121.223 0.236 0.000 5.241 578 L HA -0.398 3.942 4.340 0.000 0.000 0.408 578 L C 1.012 178.217 176.870 0.558 0.000 0.834 578 L CA 1.914 57.038 54.840 0.473 0.000 1.936 578 L CB -1.583 40.679 42.059 0.339 0.000 1.221 578 L HN 0.415 nan 8.230 nan 0.000 0.617 579 N N 0.064 118.998 118.700 0.389 0.000 2.362 579 N HA 0.026 4.766 4.740 0.000 0.000 0.204 579 N C 0.180 175.958 175.510 0.446 0.000 1.166 579 N CA 0.721 54.032 53.050 0.435 0.000 0.831 579 N CB 0.717 39.403 38.487 0.332 0.000 1.008 579 N HN 0.363 nan 8.380 nan 0.000 0.472 580 S N 0.964 116.853 115.700 0.314 0.000 2.473 580 S HA 0.449 4.919 4.470 0.000 0.000 0.307 580 S C -1.827 172.603 174.600 -0.284 0.000 1.094 580 S CA -1.622 56.571 58.200 -0.012 0.000 1.070 580 S CB 1.798 64.848 63.200 -0.250 0.000 1.019 580 S HN -0.108 nan 8.310 nan 0.000 0.480 581 P HA 0.021 nan 4.420 nan 0.000 0.220 581 P C 1.013 178.092 177.300 -0.368 0.000 1.148 581 P CA 1.104 63.671 63.100 -0.888 0.000 0.803 581 P CB 0.040 31.306 31.700 -0.723 0.000 0.782 582 A N -0.503 122.135 122.820 -0.304 0.000 1.862 582 A HA 0.005 4.325 4.320 0.000 0.000 0.211 582 A C 1.671 179.330 177.584 0.125 0.000 1.220 582 A CA 0.702 52.666 52.037 -0.120 0.000 0.616 582 A CB -1.443 17.443 19.000 -0.190 0.000 0.878 582 A HN -0.005 nan 8.150 nan 0.000 0.453 583 F N -0.414 119.538 119.950 0.004 0.000 2.722 583 F HA 0.166 4.693 4.527 0.000 0.000 0.298 583 F C 0.675 176.483 175.800 0.014 0.000 1.175 583 F CA -1.061 56.938 58.000 -0.002 0.000 1.462 583 F CB -1.525 37.468 39.000 -0.011 0.000 1.111 583 F HN 0.169 nan 8.300 nan 0.000 0.592 584 F N 3.008 123.005 119.950 0.079 0.000 2.429 584 F HA 0.481 5.008 4.527 0.000 0.000 0.348 584 F C 0.369 176.193 175.800 0.040 0.000 1.109 584 F CA -0.707 57.327 58.000 0.056 0.000 1.232 584 F CB 0.421 39.464 39.000 0.072 0.000 1.157 584 F HN -0.170 nan 8.300 nan 0.000 0.564 585 R N 3.017 122.835 120.500 -1.138 0.000 2.643 585 R HA 0.257 4.597 4.340 0.000 0.000 0.269 585 R C -1.263 174.431 176.300 -1.011 0.000 1.037 585 R CA -0.866 54.764 56.100 -0.783 0.000 0.894 585 R CB 1.274 31.367 30.300 -0.345 0.000 1.238 585 R HN 0.696 nan 8.270 nan 0.000 0.459 586 S N 0.336 115.754 115.700 -0.471 0.000 2.488 586 S HA 0.341 4.811 4.470 0.000 0.000 0.278 586 S C 0.282 174.858 174.600 -0.040 0.000 1.259 586 S CA -0.626 57.470 58.200 -0.174 0.000 1.061 586 S CB 0.683 63.907 63.200 0.041 0.000 0.910 586 S HN 0.322 nan 8.310 nan 0.000 0.491 587 V N 3.558 123.474 119.914 0.004 0.000 2.487 587 V HA 0.436 4.556 4.120 0.000 0.000 0.298 587 V C 0.055 176.190 176.094 0.068 0.000 1.028 587 V CA -0.696 61.673 62.300 0.115 0.000 0.860 587 V CB 1.521 33.426 31.823 0.137 0.000 0.991 587 V HN 0.992 nan 8.190 nan 0.000 0.427 588 E N 4.275 124.500 120.200 0.042 0.000 2.081 588 E HA 0.505 4.855 4.350 0.000 0.000 0.276 588 E C -0.856 175.619 176.600 -0.209 0.000 0.950 588 E CA -0.517 55.835 56.400 -0.080 0.000 0.776 588 E CB 1.751 31.430 29.700 -0.034 0.000 1.094 588 E HN 0.663 nan 8.360 nan 0.000 0.402 589 V N 1.890 121.517 119.914 -0.478 0.000 2.398 589 V HA 0.603 4.723 4.120 0.000 0.000 0.286 589 V C -0.452 175.311 176.094 -0.552 0.000 1.026 589 V CA -0.634 61.271 62.300 -0.657 0.000 0.868 589 V CB 1.463 32.739 31.823 -0.911 0.000 0.982 589 V HN 0.500 nan 8.190 nan 0.000 0.443 590 S N 3.495 118.999 115.700 -0.326 0.000 2.498 590 S HA 0.654 5.124 4.470 0.000 0.000 0.317 590 S C 0.001 174.579 174.600 -0.037 0.000 1.090 590 S CA -0.567 57.548 58.200 -0.141 0.000 1.089 590 S CB 1.532 64.689 63.200 -0.071 0.000 0.997 590 S HN 0.933 nan 8.310 nan 0.000 0.470 591 T N 3.050 117.655 114.554 0.084 0.000 2.794 591 T HA 0.727 5.077 4.350 0.000 0.000 0.280 591 T C -0.102 174.558 174.700 -0.066 0.000 0.987 591 T CA -0.762 61.405 62.100 0.113 0.000 0.993 591 T CB 1.260 70.353 68.868 0.375 0.000 0.939 591 T HN 0.688 nan 8.240 nan 0.000 0.449 592 T N 0.350 114.797 114.554 -0.179 0.000 2.952 592 T HA 0.613 4.963 4.350 0.000 0.000 0.305 592 T C -0.425 174.087 174.700 -0.313 0.000 1.064 592 T CA -0.834 61.095 62.100 -0.285 0.000 1.008 592 T CB 0.740 69.476 68.868 -0.221 0.000 1.078 592 T HN 0.492 nan 8.240 nan 0.000 0.459 593 I N 3.196 123.559 120.570 -0.346 0.000 2.352 593 I HA 0.214 4.384 4.170 0.000 0.000 0.290 593 I C 0.281 176.296 176.117 -0.170 0.000 1.036 593 I CA -0.578 60.607 61.300 -0.191 0.000 1.336 593 I CB 0.738 38.683 38.000 -0.093 0.000 1.407 593 I HN 0.753 nan 8.210 nan 0.000 0.497 594 Y N 3.124 123.385 120.300 -0.065 0.000 2.503 594 Y HA 0.095 4.645 4.550 0.000 0.000 0.277 594 Y C 0.602 176.513 175.900 0.019 0.000 1.102 594 Y CA 0.162 58.249 58.100 -0.022 0.000 1.261 594 Y CB 0.588 39.030 38.460 -0.030 0.000 1.096 594 Y HN 0.557 nan 8.280 nan 0.000 0.546 595 D N -1.108 119.397 120.400 0.176 0.000 2.931 595 D HA 0.236 4.876 4.640 0.000 0.000 0.215 595 D C -1.252 175.172 176.300 0.207 0.000 1.297 595 D CA -0.327 53.784 54.000 0.184 0.000 0.892 595 D CB 1.447 42.362 40.800 0.191 0.000 1.642 595 D HN -0.119 nan 8.370 nan 0.000 0.560 596 T N 2.497 117.207 114.554 0.261 0.000 2.886 596 T HA 0.605 4.955 4.350 0.000 0.000 0.292 596 T C -1.093 173.898 174.700 0.485 0.000 1.012 596 T CA -0.433 61.842 62.100 0.291 0.000 0.982 596 T CB 0.930 69.954 68.868 0.259 0.000 1.018 596 T HN 0.554 nan 8.240 nan 0.000 0.451 597 H N 1.186 120.449 119.070 0.320 0.000 3.015 597 H HA 0.843 5.399 4.556 0.000 0.000 0.282 597 H C -1.975 173.326 175.328 -0.046 0.000 1.508 597 H CA -0.965 55.262 56.048 0.297 0.000 1.209 597 H CB 1.337 31.284 29.762 0.308 0.000 1.869 597 H HN 0.616 nan 8.280 nan 0.000 0.591 598 V N 0.985 120.872 119.914 -0.044 0.000 3.012 598 V HA 0.421 4.541 4.120 0.000 0.000 0.307 598 V C -1.842 174.456 176.094 0.340 0.000 1.166 598 V CA -0.422 61.838 62.300 -0.065 0.000 0.974 598 V CB 2.128 33.673 31.823 -0.463 0.000 1.040 598 V HN 1.133 nan 8.190 nan 0.000 0.428 599 Q N 5.155 125.189 119.800 0.389 0.000 2.271 599 Q HA 0.873 5.213 4.340 0.000 0.000 0.268 599 Q C -1.208 175.010 176.000 0.363 0.000 1.021 599 Q CA -0.112 55.952 55.803 0.436 0.000 0.802 599 Q CB 1.953 30.916 28.738 0.375 0.000 1.282 599 Q HN 1.345 nan 8.270 nan 0.000 0.431 600 A N 2.346 125.383 122.820 0.362 0.000 2.292 600 A HA 0.926 5.246 4.320 0.000 0.000 0.319 600 A C 0.840 178.553 177.584 0.215 0.000 1.206 600 A CA 0.208 52.410 52.037 0.276 0.000 0.835 600 A CB 0.268 19.385 19.000 0.195 0.000 1.164 600 A HN 1.864 nan 8.150 nan 0.000 0.505 601 G N 0.897 109.795 108.800 0.163 0.000 2.562 601 G HA2 0.181 4.141 3.960 0.000 0.000 0.250 601 G HA3 0.181 4.141 3.960 0.000 0.000 0.250 601 G C 0.937 175.849 174.900 0.019 0.000 1.269 601 G CA 0.459 45.613 45.100 0.089 0.000 0.919 601 G HN 2.098 nan 8.290 nan 0.000 0.574 602 A N -2.070 120.666 122.820 -0.139 0.000 2.197 602 A HA 0.541 4.861 4.320 0.000 0.000 0.210 602 A C 1.499 178.823 177.584 -0.433 0.000 1.180 602 A CA 1.715 53.555 52.037 -0.327 0.000 0.846 602 A CB 0.142 18.838 19.000 -0.506 0.000 0.884 602 A HN 0.904 nan 8.150 nan 0.000 0.487 603 H N -1.397 117.707 119.070 0.057 0.000 3.241 603 H HA 0.489 5.045 4.556 0.000 0.000 0.260 603 H C 0.788 176.115 175.328 -0.002 0.000 1.084 603 H CA 0.275 56.337 56.048 0.022 0.000 1.203 603 H CB 0.571 30.340 29.762 0.012 0.000 1.524 603 H HN 0.371 nan 8.280 nan 0.000 0.521 604 A N 2.048 124.943 122.820 0.124 0.000 2.343 604 A HA 0.441 4.761 4.320 0.000 0.000 0.305 604 A C -0.402 177.193 177.584 0.017 0.000 1.308 604 A CA -0.223 51.838 52.037 0.040 0.000 0.949 604 A CB -0.205 18.941 19.000 0.242 0.000 1.148 604 A HN 0.125 nan 8.150 nan 0.000 0.545 605 V N 4.072 123.863 119.914 -0.204 0.000 2.398 605 V HA 0.333 4.453 4.120 0.000 0.000 0.286 605 V C -1.066 174.804 176.094 -0.372 0.000 1.026 605 V CA -0.291 61.917 62.300 -0.152 0.000 0.868 605 V CB 0.806 32.499 31.823 -0.218 0.000 0.982 605 V HN 0.722 nan 8.190 nan 0.000 0.443 606 Y N 3.614 123.908 120.300 -0.011 0.000 2.328 606 Y HA 0.514 5.064 4.550 0.000 0.000 0.337 606 Y C 0.489 176.515 175.900 0.211 0.000 0.966 606 Y CA -0.790 57.357 58.100 0.078 0.000 1.136 606 Y CB 0.915 39.469 38.460 0.156 0.000 1.170 606 Y HN 0.565 nan 8.280 nan 0.000 0.470 607 H N 1.795 121.088 119.070 0.372 0.000 2.610 607 H HA 0.420 4.976 4.556 0.000 0.000 0.336 607 H C -0.027 175.502 175.328 0.335 0.000 1.087 607 H CA -0.595 55.655 56.048 0.336 0.000 1.405 607 H CB 1.356 31.209 29.762 0.153 0.000 1.460 607 H HN 0.854 nan 8.280 nan 0.000 0.538 608 A N 3.662 126.721 122.820 0.399 0.000 2.545 608 A HA 0.055 4.375 4.320 0.000 0.000 0.253 608 A C 0.892 178.381 177.584 -0.159 0.000 1.074 608 A CA 0.248 52.115 52.037 -0.282 0.000 0.760 608 A CB -0.092 18.758 19.000 -0.250 0.000 1.005 608 A HN 0.602 nan 8.150 nan 0.000 0.506 609 S N 2.042 117.604 115.700 -0.229 0.000 2.565 609 S HA 0.479 4.949 4.470 0.000 0.000 0.274 609 S C 0.167 174.710 174.600 -0.095 0.000 1.309 609 S CA -0.632 57.517 58.200 -0.084 0.000 1.043 609 S CB 0.211 63.391 63.200 -0.033 0.000 0.939 609 S HN 0.673 nan 8.310 nan 0.000 0.504 610 R N 2.800 123.275 120.500 -0.040 0.000 2.604 610 R HA 0.523 4.863 4.340 0.000 0.000 0.287 610 R C -0.660 175.632 176.300 -0.013 0.000 0.970 610 R CA -0.719 55.361 56.100 -0.034 0.000 0.946 610 R CB 1.339 31.625 30.300 -0.023 0.000 1.127 610 R HN 0.676 nan 8.270 nan 0.000 0.473 611 I N 2.696 123.254 120.570 -0.019 0.000 2.447 611 I HA 0.242 4.412 4.170 0.000 0.000 0.287 611 I C -0.914 175.179 176.117 -0.040 0.000 1.023 611 I CA -0.495 60.800 61.300 -0.008 0.000 1.083 611 I CB 1.712 39.712 38.000 0.001 0.000 1.245 611 I HN 0.463 nan 8.210 nan 0.000 0.434 612 N N 6.935 125.601 118.700 -0.058 0.000 2.401 612 N HA 0.113 4.853 4.740 0.000 0.000 0.255 612 N C 0.660 176.071 175.510 -0.166 0.000 1.110 612 N CA -0.307 52.618 53.050 -0.209 0.000 0.949 612 N CB 1.162 39.343 38.487 -0.509 0.000 1.110 612 N HN 0.595 nan 8.380 nan 0.000 0.490 613 L N 3.021 124.162 121.223 -0.136 0.000 2.275 613 L HA -0.090 4.250 4.340 0.000 0.000 0.215 613 L C 1.667 178.490 176.870 -0.078 0.000 1.119 613 L CA 1.042 55.837 54.840 -0.076 0.000 0.790 613 L CB -0.191 41.836 42.059 -0.054 0.000 0.919 613 L HN 0.468 nan 8.230 nan 0.000 0.443 614 D N -1.370 118.927 120.400 -0.170 0.000 2.183 614 D HA -0.159 4.481 4.640 0.000 0.000 0.203 614 D C 2.174 178.505 176.300 0.053 0.000 0.969 614 D CA 1.333 55.268 54.000 -0.108 0.000 0.842 614 D CB -0.096 40.587 40.800 -0.194 0.000 0.957 614 D HN 0.443 nan 8.370 nan 0.000 0.484 615 Y N 0.124 120.420 120.300 -0.007 0.000 2.314 615 Y HA 0.030 4.580 4.550 0.000 0.000 0.294 615 Y C 2.212 178.104 175.900 -0.014 0.000 1.119 615 Y CA -0.171 57.923 58.100 -0.010 0.000 1.179 615 Y CB 0.239 38.693 38.460 -0.010 0.000 1.025 615 Y HN -0.214 nan 8.280 nan 0.000 0.541 616 V N 1.770 121.764 119.914 0.134 0.000 3.593 616 V HA -0.066 4.054 4.120 0.000 0.000 0.275 616 V C 0.546 176.661 176.094 0.034 0.000 1.237 616 V CA 0.432 62.769 62.300 0.060 0.000 1.194 616 V CB -1.291 30.550 31.823 0.030 0.000 0.949 616 V HN 0.155 nan 8.190 nan 0.000 0.467 617 K N 2.327 122.754 120.400 0.045 0.000 2.489 617 K HA 0.141 4.461 4.320 0.000 0.000 0.278 617 K C -2.097 174.513 176.600 0.016 0.000 1.000 617 K CA -0.947 55.355 56.287 0.026 0.000 1.012 617 K CB 0.185 32.703 32.500 0.030 0.000 0.903 617 K HN 0.294 nan 8.250 nan 0.000 0.485 618 P HA 0.031 nan 4.420 nan 0.000 0.274 618 P C -0.767 176.528 177.300 -0.008 0.000 1.231 618 P CA -0.571 62.531 63.100 0.003 0.000 0.790 618 P CB 0.742 32.437 31.700 -0.008 0.000 0.951 619 V N 2.140 122.050 119.914 -0.007 0.000 2.432 619 V HA 0.150 4.270 4.120 0.000 0.000 0.271 619 V C 0.927 176.994 176.094 -0.045 0.000 1.046 619 V CA 0.369 62.664 62.300 -0.010 0.000 0.945 619 V CB 0.409 32.244 31.823 0.020 0.000 0.992 619 V HN 0.702 nan 8.190 nan 0.000 0.471 620 S N 2.788 118.465 115.700 -0.037 0.000 2.572 620 S HA 0.151 4.621 4.470 0.000 0.000 0.228 620 S C 0.566 175.148 174.600 -0.031 0.000 0.963 620 S CA -0.294 57.877 58.200 -0.049 0.000 0.939 620 S CB -0.286 62.887 63.200 -0.044 0.000 0.804 620 S HN 0.758 nan 8.310 nan 0.000 0.480 621 T N 2.586 117.132 114.554 -0.015 0.000 2.761 621 T HA 0.524 4.874 4.350 0.000 0.000 0.296 621 T C 1.318 176.021 174.700 0.005 0.000 0.934 621 T CA 0.380 62.479 62.100 -0.001 0.000 1.091 621 T CB 0.697 69.572 68.868 0.011 0.000 0.896 621 T HN 0.697 nan 8.240 nan 0.000 0.515 622 G N 3.026 111.827 108.800 0.003 0.000 2.179 622 G HA2 -0.206 3.754 3.960 0.000 0.000 0.260 622 G HA3 -0.206 3.754 3.960 0.000 0.000 0.260 622 G C 0.119 175.021 174.900 0.004 0.000 0.977 622 G CA -0.326 44.780 45.100 0.010 0.000 0.641 622 G HN 0.648 nan 8.290 nan 0.000 0.533 623 I N 0.354 120.916 120.570 -0.014 0.000 2.412 623 I HA 0.413 4.583 4.170 0.000 0.000 0.296 623 I C 0.393 176.485 176.117 -0.042 0.000 0.987 623 I CA -0.895 60.388 61.300 -0.028 0.000 1.180 623 I CB 1.642 39.600 38.000 -0.070 0.000 1.340 623 I HN 0.134 nan 8.210 nan 0.000 0.455 624 Q N 4.901 124.675 119.800 -0.043 0.000 2.509 624 Q HA 0.283 4.623 4.340 0.000 0.000 0.230 624 Q C -1.242 174.715 176.000 -0.071 0.000 1.089 624 Q CA -0.292 55.480 55.803 -0.052 0.000 0.901 624 Q CB 1.401 30.111 28.738 -0.047 0.000 1.208 624 Q HN 0.570 nan 8.270 nan 0.000 0.529 625 V N 6.459 126.324 119.914 -0.081 0.000 2.455 625 V HA 0.245 4.365 4.120 0.000 0.000 0.273 625 V C -0.226 175.805 176.094 -0.106 0.000 1.045 625 V CA -0.352 61.886 62.300 -0.104 0.000 0.976 625 V CB 0.507 32.268 31.823 -0.103 0.000 0.993 625 V HN 0.630 nan 8.190 nan 0.000 0.475 626 I N 4.447 124.936 120.570 -0.135 0.000 2.412 626 I HA 0.566 4.736 4.170 0.000 0.000 0.296 626 I C 0.587 176.610 176.117 -0.158 0.000 0.987 626 I CA 0.148 61.366 61.300 -0.136 0.000 1.180 626 I CB 1.557 39.467 38.000 -0.150 0.000 1.340 626 I HN 0.383 nan 8.210 nan 0.000 0.455 627 N N 3.849 122.477 118.700 -0.119 0.000 2.325 627 N HA 0.255 4.995 4.740 0.000 0.000 0.182 627 N C -0.064 175.386 175.510 -0.100 0.000 1.088 627 N CA 0.220 53.206 53.050 -0.107 0.000 0.879 627 N CB 0.812 39.256 38.487 -0.071 0.000 0.983 627 N HN 0.825 nan 8.380 nan 0.000 0.471 628 A N 0.392 123.151 122.820 -0.103 0.000 2.304 628 A HA 0.726 5.046 4.320 0.000 0.000 0.314 628 A C -0.007 177.517 177.584 -0.099 0.000 1.187 628 A CA -0.536 51.456 52.037 -0.076 0.000 0.810 628 A CB 1.227 20.198 19.000 -0.048 0.000 1.183 628 A HN 0.069 nan 8.150 nan 0.000 0.487 629 G N 2.308 111.068 108.800 -0.065 0.000 2.687 629 G HA2 0.543 4.503 3.960 0.000 0.000 0.301 629 G HA3 0.543 4.503 3.960 0.000 0.000 0.301 629 G C -0.420 174.553 174.900 0.122 0.000 1.416 629 G CA -0.545 44.533 45.100 -0.038 0.000 1.005 629 G HN 0.817 nan 8.290 nan 0.000 0.509 630 E N 2.505 122.784 120.200 0.131 0.000 2.409 630 E HA 0.033 4.383 4.350 0.000 0.000 0.257 630 E C 1.403 178.070 176.600 0.111 0.000 1.150 630 E CA -0.528 55.931 56.400 0.099 0.000 0.942 630 E CB 1.137 30.870 29.700 0.055 0.000 0.979 630 E HN 0.643 nan 8.360 nan 0.000 0.447 631 L N -0.101 121.114 121.223 -0.013 0.000 2.156 631 L HA -0.032 4.308 4.340 0.000 0.000 0.208 631 L C 2.395 178.994 176.870 -0.450 0.000 1.095 631 L CA 1.284 56.027 54.840 -0.162 0.000 0.770 631 L CB -0.451 41.510 42.059 -0.164 0.000 0.914 631 L HN 0.500 nan 8.230 nan 0.000 0.439 632 K N 0.983 121.202 120.400 -0.302 0.000 2.113 632 K HA -0.223 4.097 4.320 0.000 0.000 0.208 632 K C 1.119 177.553 176.600 -0.277 0.000 1.047 632 K CA 1.900 57.981 56.287 -0.343 0.000 0.928 632 K CB -0.318 32.117 32.500 -0.109 0.000 0.716 632 K HN 0.469 nan 8.250 nan 0.000 0.446 633 N N 0.321 118.981 118.700 -0.066 0.000 2.398 633 N HA -0.026 4.714 4.740 0.000 0.000 0.188 633 N C -0.680 174.793 175.510 -0.060 0.000 1.122 633 N CA 0.133 53.241 53.050 0.096 0.000 0.866 633 N CB -0.131 38.531 38.487 0.292 0.000 0.970 633 N HN 0.179 nan 8.380 nan 0.000 0.462 634 Y N -1.828 118.408 120.300 -0.105 0.000 3.125 634 Y HA -0.255 4.295 4.550 0.000 0.000 0.200 634 Y C -0.636 175.128 175.900 -0.227 0.000 1.373 634 Y CA -0.062 57.953 58.100 -0.142 0.000 1.180 634 Y CB -2.403 35.969 38.460 -0.147 0.000 1.381 634 Y HN 0.134 nan 8.280 nan 0.000 0.501 635 W N 0.905 122.272 121.300 0.111 0.000 2.391 635 W HA 0.603 5.263 4.660 0.000 0.000 0.311 635 W C 0.593 177.147 176.519 0.059 0.000 1.087 635 W CA 0.238 57.636 57.345 0.089 0.000 1.209 635 W CB 1.869 31.359 29.460 0.049 0.000 1.273 635 W HN 0.593 nan 8.180 nan 0.000 0.482 636 G N 1.878 110.874 108.800 0.326 0.000 2.885 636 G HA2 0.104 4.064 3.960 0.000 0.000 0.685 636 G HA3 0.104 4.064 3.960 0.000 0.000 0.685 636 G C -0.480 174.508 174.900 0.148 0.000 1.216 636 G CA -0.821 44.395 45.100 0.194 0.000 0.790 636 G HN 0.715 nan 8.290 nan 0.000 0.631 637 S N -0.062 115.709 115.700 0.117 0.000 2.601 637 S HA 0.749 5.219 4.470 0.000 0.000 0.271 637 S C 0.559 175.191 174.600 0.053 0.000 1.305 637 S CA -0.133 58.117 58.200 0.084 0.000 1.022 637 S CB 2.129 65.379 63.200 0.082 0.000 0.940 637 S HN 2.089 nan 8.310 nan 0.000 0.525 638 V N 2.653 122.580 119.914 0.022 0.000 2.567 638 V HA 0.759 4.879 4.120 0.000 0.000 0.289 638 V C -0.234 175.855 176.094 -0.008 0.000 1.049 638 V CA -0.695 61.603 62.300 -0.002 0.000 0.969 638 V CB 0.987 32.788 31.823 -0.037 0.000 0.995 638 V HN 1.151 nan 8.190 nan 0.000 0.471 639 R N 4.603 125.099 120.500 -0.006 0.000 2.774 639 R HA 0.589 4.929 4.340 0.000 0.000 0.272 639 R C -0.855 175.441 176.300 -0.006 0.000 1.000 639 R CA -1.061 55.041 56.100 0.002 0.000 0.906 639 R CB 1.397 31.711 30.300 0.022 0.000 1.227 639 R HN 0.744 nan 8.270 nan 0.000 0.468 640 R N 1.585 122.087 120.500 0.004 0.000 2.267 640 R HA 0.226 4.566 4.340 0.000 0.000 0.319 640 R C -0.678 175.627 176.300 0.009 0.000 1.067 640 R CA 0.089 56.194 56.100 0.009 0.000 0.936 640 R CB 0.847 31.166 30.300 0.031 0.000 1.006 640 R HN 0.876 nan 8.270 nan 0.000 0.452 641 T N 0.058 114.611 114.554 -0.002 0.000 2.905 641 T HA 0.108 4.458 4.350 0.000 0.000 0.283 641 T C 0.806 175.506 174.700 0.000 0.000 1.031 641 T CA -0.849 61.252 62.100 0.001 0.000 1.002 641 T CB 1.508 70.372 68.868 -0.005 0.000 1.200 641 T HN 0.530 nan 8.240 nan 0.000 0.560 642 Q N -0.427 119.375 119.800 0.003 0.000 2.364 642 Q HA -0.060 4.280 4.340 0.000 0.000 0.207 642 Q C 1.547 177.543 176.000 -0.008 0.000 0.970 642 Q CA 1.472 57.277 55.803 0.004 0.000 0.888 642 Q CB -0.101 28.641 28.738 0.007 0.000 0.951 642 Q HN 0.661 nan 8.270 nan 0.000 0.469 643 Q N -1.353 118.437 119.800 -0.017 0.000 2.356 643 Q HA 0.295 4.635 4.340 0.000 0.000 0.205 643 Q C 0.166 176.136 176.000 -0.050 0.000 0.901 643 Q CA 0.558 56.344 55.803 -0.028 0.000 0.938 643 Q CB 1.290 30.013 28.738 -0.024 0.000 1.081 643 Q HN 0.318 nan 8.270 nan 0.000 0.517 644 G N 0.471 109.239 108.800 -0.053 0.000 2.525 644 G HA2 -0.063 3.897 3.960 0.000 0.000 0.685 644 G HA3 -0.063 3.897 3.960 0.000 0.000 0.685 644 G C -1.004 173.851 174.900 -0.074 0.000 1.285 644 G CA -0.739 44.307 45.100 -0.091 0.000 0.849 644 G HN 0.312 nan 8.290 nan 0.000 0.653 645 L N -0.253 120.920 121.223 -0.084 0.000 2.513 645 L HA 0.692 5.032 4.340 0.000 0.000 0.272 645 L C 0.677 177.496 176.870 -0.086 0.000 1.187 645 L CA 0.434 55.235 54.840 -0.065 0.000 0.895 645 L CB 0.620 42.650 42.059 -0.049 0.000 1.147 645 L HN 1.567 nan 8.230 nan 0.000 0.483 646 G N 2.643 111.405 108.800 -0.063 0.000 2.684 646 G HA2 0.531 4.491 3.960 0.000 0.000 0.290 646 G HA3 0.531 4.491 3.960 0.000 0.000 0.290 646 G C -1.025 173.854 174.900 -0.035 0.000 1.425 646 G CA -0.801 44.264 45.100 -0.058 0.000 0.822 646 G HN 0.560 nan 8.290 nan 0.000 0.482 647 V N -0.320 119.582 119.914 -0.021 0.000 2.811 647 V HA 0.584 4.704 4.120 0.000 0.000 0.302 647 V C 0.354 176.453 176.094 0.009 0.000 1.063 647 V CA -0.374 61.930 62.300 0.006 0.000 1.088 647 V CB 1.079 32.921 31.823 0.031 0.000 0.982 647 V HN 0.922 nan 8.190 nan 0.000 0.485 648 V N 2.792 122.721 119.914 0.024 0.000 3.012 648 V HA 0.823 4.943 4.120 0.000 0.000 0.307 648 V C 0.304 176.425 176.094 0.044 0.000 1.166 648 V CA -0.014 62.301 62.300 0.025 0.000 0.974 648 V CB 2.130 33.965 31.823 0.021 0.000 1.040 648 V HN 1.099 nan 8.190 nan 0.000 0.428 649 G N 4.207 113.030 108.800 0.039 0.000 2.398 649 G HA2 0.371 4.331 3.960 0.000 0.000 0.246 649 G HA3 0.371 4.331 3.960 0.000 0.000 0.246 649 G C 0.648 175.584 174.900 0.059 0.000 1.289 649 G CA 0.211 45.344 45.100 0.056 0.000 0.869 649 G HN 1.218 nan 8.290 nan 0.000 0.543 650 L N 2.938 124.210 121.223 0.083 0.000 1.965 650 L HA -0.074 4.266 4.340 0.000 0.000 0.226 650 L C 1.696 178.588 176.870 0.036 0.000 1.083 650 L CA 1.603 56.484 54.840 0.069 0.000 0.790 650 L CB -2.479 39.624 42.059 0.074 0.000 0.898 650 L HN 0.711 nan 8.230 nan 0.000 0.439 651 T N 0.000 114.564 114.554 0.016 0.000 3.816 651 T HA 0.000 4.350 4.350 0.000 0.000 0.228 651 T CA 0.000 62.102 62.100 0.002 0.000 1.349 651 T CB 0.000 68.872 68.868 0.007 0.000 0.612 651 T HN 0.000 nan 8.240 nan 0.000 0.658