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 1qaf_1_A DATA FIRST_RESID 7 DATA SEQUENCE MVPMDKTLKE FGADVQWDDY AQLFTLIKDG AYVKVKPGAQ TAIVNGQPLA DATA SEQUENCE LQVPVVMKDN KAWVSDTFIN DVFQSGLDQT FQVEKRPHPL NALTADEIKQ DATA SEQUENCE AVEIVKASAD FKPNTRFTEI SLLPPDKEAV WAFALENKPV DQPRKADVIM DATA SEQUENCE LDGKHIIEAV VDLQNNKLLS WQPIKDAHGM VLLDDFASVQ NIINNSEEFA DATA SEQUENCE AAVKKRGITD AKKVITTPLT VGYFDGKDGL KQDARLLKVI SYLDVGDGNY DATA SEQUENCE WAHPIENLVA VVDLEQKKIV KIEEGPVVPV PMTARPFDGR DRVAPAVKPM DATA SEQUENCE QIIEPEGKNY TITGDMIHWR NWDFHLSMNS RVGPMISTVT YNDNGTKRKV DATA SEQUENCE MYEGSLGGMI VPYGDPDIGW YFKAYLESGD YGMGTLTSPI ARGKDAPSNA DATA SEQUENCE VLLNETIADY TGVPMEIPRA IAVFERYAGP EYKHQEMGQP NVSTERRELV DATA SEQUENCE VRWISTVGNX DYIFDWIFHE NGTIGIDAGA TGIEAVKGVK AKTMHDETAK DATA SEQUENCE DDTRYGTLID HNIVGTTHQH IYNFRLDLDV DGENNSLVAM DPVVKPNTAG DATA SEQUENCE GPRTSTMQVN QYNIGNEQDA AQKFDPGTIR LLSNPNKENR MGNPVSYQII DATA SEQUENCE PYAGGTHPVA KGAQFAPDEW IYHRLSFMDK QLWVTRYHPG ERFPEGKYPN DATA SEQUENCE RSTHDTGLGQ YSKDNESLDN TDAVVWMTTG TTHVARAEEW PIMPTEWVHT DATA SEQUENCE LLKPWNFFDE TPTLGALKK 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.472 176.300 0.287 0.000 1.140 7 M CA 0.000 55.397 55.300 0.161 0.000 0.988 7 M CB 0.000 32.689 32.600 0.148 0.000 1.302 8 V N 2.276 122.409 119.914 0.365 0.000 3.120 8 V HA 0.732 4.852 4.120 -0.000 0.000 0.303 8 V C -2.473 173.518 176.094 -0.171 0.000 1.238 8 V CA -1.492 60.928 62.300 0.200 0.000 1.008 8 V CB 3.350 35.200 31.823 0.044 0.000 1.064 8 V HN 0.713 nan 8.190 nan 0.000 0.434 9 P HA 0.150 nan 4.420 nan 0.000 0.271 9 P C 0.534 177.479 177.300 -0.593 0.000 1.220 9 P CA 0.148 62.569 63.100 -1.133 0.000 0.768 9 P CB 0.736 31.808 31.700 -1.045 0.000 0.848 10 M N 2.567 121.808 119.600 -0.599 0.000 2.099 10 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 10 M C 1.086 177.198 176.300 -0.314 0.000 1.067 10 M CA 1.863 56.895 55.300 -0.447 0.000 1.124 10 M CB -0.332 31.925 32.600 -0.572 0.000 1.353 10 M HN 0.276 nan 8.290 nan 0.000 0.410 11 D N 0.394 120.610 120.400 -0.306 0.000 2.092 11 D HA -0.214 4.426 4.640 -0.000 0.000 0.193 11 D C 1.867 178.082 176.300 -0.142 0.000 0.994 11 D CA 1.373 55.264 54.000 -0.181 0.000 0.828 11 D CB -0.328 40.383 40.800 -0.148 0.000 0.963 11 D HN 0.380 nan 8.370 nan 0.000 0.450 12 K N 0.152 120.442 120.400 -0.183 0.000 2.032 12 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 12 K C 2.095 178.639 176.600 -0.093 0.000 1.048 12 K CA 1.604 57.811 56.287 -0.133 0.000 0.927 12 K CB -0.021 32.387 32.500 -0.154 0.000 0.712 12 K HN 0.042 nan 8.250 nan 0.000 0.441 13 T N 2.075 116.558 114.554 -0.117 0.000 2.737 13 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 13 T C 1.723 176.424 174.700 0.002 0.000 1.038 13 T CA 0.809 62.873 62.100 -0.061 0.000 1.144 13 T CB -0.070 68.745 68.868 -0.088 0.000 0.866 13 T HN 0.077 nan 8.240 nan 0.000 0.434 14 L N 1.019 122.240 121.223 -0.003 0.000 2.046 14 L HA -0.046 4.293 4.340 -0.000 0.000 0.208 14 L C 2.336 179.254 176.870 0.079 0.000 1.077 14 L CA 1.884 56.772 54.840 0.080 0.000 0.747 14 L CB -0.920 41.179 42.059 0.067 0.000 0.896 14 L HN 0.310 nan 8.230 nan 0.000 0.432 15 K N -0.383 120.028 120.400 0.017 0.000 2.148 15 K HA -0.140 4.180 4.320 -0.000 0.000 0.204 15 K C 1.947 178.548 176.600 0.001 0.000 1.050 15 K CA 0.866 57.153 56.287 0.001 0.000 0.942 15 K CB 0.025 32.517 32.500 -0.014 0.000 0.724 15 K HN 0.358 nan 8.250 nan 0.000 0.446 16 E N -0.151 120.060 120.200 0.019 0.000 2.106 16 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 16 E C 1.572 178.212 176.600 0.066 0.000 0.984 16 E CA 0.741 57.157 56.400 0.025 0.000 0.806 16 E CB -0.044 29.670 29.700 0.023 0.000 0.750 16 E HN 0.220 nan 8.360 nan 0.000 0.458 17 F N 0.426 120.319 119.950 -0.095 0.000 2.502 17 F HA 0.082 4.609 4.527 -0.000 0.000 0.298 17 F C 1.428 177.142 175.800 -0.144 0.000 1.111 17 F CA 1.383 59.303 58.000 -0.133 0.000 1.445 17 F CB 0.243 39.127 39.000 -0.194 0.000 1.081 17 F HN 0.074 nan 8.300 nan 0.000 0.558 18 G N 0.186 108.852 108.800 -0.223 0.000 2.141 18 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.231 18 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.231 18 G C 0.304 175.040 174.900 -0.274 0.000 0.984 18 G CA 0.049 44.978 45.100 -0.285 0.000 0.660 18 G HN 0.820 nan 8.290 nan 0.000 0.525 19 A N -0.302 122.403 122.820 -0.192 0.000 2.293 19 A HA 0.671 4.991 4.320 -0.000 0.000 0.302 19 A C 0.021 177.613 177.584 0.014 0.000 1.119 19 A CA 0.397 52.389 52.037 -0.075 0.000 0.823 19 A CB 0.788 19.811 19.000 0.038 0.000 1.097 19 A HN 0.525 nan 8.150 nan 0.000 0.491 20 D N 0.273 120.701 120.400 0.047 0.000 2.210 20 D HA 0.470 5.110 4.640 -0.000 0.000 0.249 20 D C -0.883 175.476 176.300 0.098 0.000 1.078 20 D CA 0.097 54.132 54.000 0.058 0.000 0.875 20 D CB 1.199 42.029 40.800 0.049 0.000 1.175 20 D HN 0.187 nan 8.370 nan 0.000 0.440 21 V N 4.067 124.046 119.914 0.108 0.000 2.487 21 V HA 0.400 4.520 4.120 -0.000 0.000 0.298 21 V C -0.482 175.731 176.094 0.199 0.000 1.028 21 V CA -0.708 61.691 62.300 0.166 0.000 0.860 21 V CB 1.410 33.318 31.823 0.140 0.000 0.991 21 V HN 0.559 nan 8.190 nan 0.000 0.427 22 Q N 4.272 124.219 119.800 0.245 0.000 2.337 22 Q HA 0.454 4.794 4.340 -0.000 0.000 0.270 22 Q C -1.302 174.883 176.000 0.308 0.000 1.043 22 Q CA -0.412 55.523 55.803 0.220 0.000 0.794 22 Q CB 3.016 31.824 28.738 0.117 0.000 1.281 22 Q HN 0.855 nan 8.270 nan 0.000 0.446 23 W N 3.859 125.169 121.300 0.018 0.000 2.587 23 W HA 0.391 5.051 4.660 0.000 0.000 0.324 23 W C -1.544 174.896 176.519 -0.132 0.000 1.040 23 W CA -0.496 56.734 57.345 -0.191 0.000 1.222 23 W CB 1.575 30.884 29.460 -0.251 0.000 1.381 23 W HN 0.663 nan 8.180 nan 0.000 0.483 24 D N 4.147 123.998 120.400 -0.915 0.000 2.440 24 D HA 0.057 4.696 4.640 -0.000 0.000 0.239 24 D C 0.218 175.805 176.300 -1.189 0.000 1.084 24 D CA -0.069 53.502 54.000 -0.714 0.000 0.843 24 D CB 1.647 42.192 40.800 -0.424 0.000 1.097 24 D HN 0.508 nan 8.370 nan 0.000 0.531 25 D N 2.337 122.270 120.400 -0.778 0.000 2.183 25 D HA -0.198 4.442 4.640 -0.000 0.000 0.203 25 D C 1.517 177.658 176.300 -0.264 0.000 0.969 25 D CA 0.816 54.514 54.000 -0.504 0.000 0.842 25 D CB 0.029 40.804 40.800 -0.041 0.000 0.957 25 D HN 0.486 nan 8.370 nan 0.000 0.484 26 Y N 0.528 120.656 120.300 -0.287 0.000 2.181 26 Y HA -0.051 4.499 4.550 -0.000 0.000 0.288 26 Y C 1.850 177.631 175.900 -0.198 0.000 1.146 26 Y CA 1.811 59.800 58.100 -0.185 0.000 1.164 26 Y CB -0.230 38.145 38.460 -0.142 0.000 0.982 26 Y HN 0.019 nan 8.280 nan 0.000 0.515 27 A N -1.046 121.592 122.820 -0.304 0.000 2.303 27 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 27 A C 0.520 177.885 177.584 -0.365 0.000 1.205 27 A CA 0.247 52.077 52.037 -0.345 0.000 0.875 27 A CB 0.003 18.887 19.000 -0.194 0.000 0.910 27 A HN 0.433 nan 8.150 nan 0.000 0.501 28 Q N -0.812 118.661 119.800 -0.544 0.000 2.452 28 Q HA -0.169 4.171 4.340 -0.000 0.000 0.318 28 Q C -0.800 174.946 176.000 -0.424 0.000 1.386 28 Q CA 0.670 56.146 55.803 -0.545 0.000 0.872 28 Q CB -1.609 27.073 28.738 -0.094 0.000 1.151 28 Q HN 0.517 nan 8.270 nan 0.000 0.417 29 L N 0.376 121.146 121.223 -0.755 0.000 2.436 29 L HA 0.583 4.923 4.340 -0.000 0.000 0.268 29 L C -1.068 175.639 176.870 -0.271 0.000 0.974 29 L CA -0.582 54.074 54.840 -0.307 0.000 0.826 29 L CB 1.477 43.429 42.059 -0.178 0.000 1.291 29 L HN 0.098 nan 8.230 nan 0.000 0.406 30 F N 2.247 122.324 119.950 0.211 0.000 2.404 30 F HA 0.532 5.059 4.527 -0.000 0.000 0.339 30 F C 0.746 176.609 175.800 0.106 0.000 1.105 30 F CA -0.118 58.039 58.000 0.261 0.000 1.087 30 F CB 1.956 41.119 39.000 0.272 0.000 1.143 30 F HN 0.369 nan 8.300 nan 0.000 0.491 31 T N 5.478 120.177 114.554 0.242 0.000 2.772 31 T HA 0.561 4.911 4.350 -0.000 0.000 0.288 31 T C -0.884 173.849 174.700 0.055 0.000 0.994 31 T CA -0.518 61.608 62.100 0.043 0.000 0.951 31 T CB 0.645 69.466 68.868 -0.077 0.000 0.933 31 T HN 0.056 nan 8.240 nan 0.000 0.447 32 L N 4.539 125.771 121.223 0.014 0.000 2.341 32 L HA 0.654 4.994 4.340 -0.000 0.000 0.278 32 L C -0.252 176.652 176.870 0.057 0.000 1.005 32 L CA -0.797 54.116 54.840 0.122 0.000 0.818 32 L CB 1.282 43.514 42.059 0.287 0.000 1.259 32 L HN 0.642 nan 8.230 nan 0.000 0.418 33 I N 2.921 123.559 120.570 0.114 0.000 2.582 33 I HA 0.497 4.666 4.170 -0.000 0.000 0.292 33 I C -0.321 175.909 176.117 0.187 0.000 1.066 33 I CA -0.695 60.686 61.300 0.134 0.000 1.053 33 I CB 2.491 40.524 38.000 0.055 0.000 1.241 33 I HN 0.466 nan 8.210 nan 0.000 0.421 34 K N 5.404 125.952 120.400 0.247 0.000 2.690 34 K HA 0.240 4.560 4.320 -0.000 0.000 0.264 34 K C -1.288 175.416 176.600 0.174 0.000 1.040 34 K CA -0.417 55.945 56.287 0.126 0.000 0.946 34 K CB 0.946 33.396 32.500 -0.083 0.000 1.268 34 K HN 0.716 nan 8.250 nan 0.000 0.473 35 D N 1.208 121.685 120.400 0.128 0.000 3.347 35 D HA -0.244 4.396 4.640 -0.000 0.000 0.234 35 D C 0.977 177.414 176.300 0.230 0.000 1.753 35 D CA 1.785 55.898 54.000 0.187 0.000 1.103 35 D CB -0.642 40.271 40.800 0.188 0.000 0.762 35 D HN 0.760 nan 8.370 nan 0.000 0.910 36 G N -0.377 108.573 108.800 0.250 0.000 2.708 36 G HA2 0.284 4.244 3.960 -0.000 0.000 0.210 36 G HA3 0.284 4.244 3.960 -0.000 0.000 0.210 36 G C 0.398 175.415 174.900 0.195 0.000 1.141 36 G CA 1.042 46.248 45.100 0.176 0.000 0.788 36 G HN 0.658 nan 8.290 nan 0.000 0.531 37 A N -0.041 122.940 122.820 0.267 0.000 2.289 37 A HA 0.634 4.954 4.320 -0.000 0.000 0.298 37 A C -1.450 176.300 177.584 0.277 0.000 1.208 37 A CA -0.631 51.564 52.037 0.264 0.000 0.845 37 A CB 0.602 19.840 19.000 0.397 0.000 1.125 37 A HN 0.312 nan 8.150 nan 0.000 0.517 38 Y N 3.036 123.382 120.300 0.077 0.000 2.402 38 Y HA 0.499 5.049 4.550 -0.000 0.000 0.325 38 Y C -0.990 174.923 175.900 0.022 0.000 1.009 38 Y CA -0.474 57.671 58.100 0.074 0.000 1.278 38 Y CB 1.386 39.881 38.460 0.058 0.000 1.105 38 Y HN 0.472 nan 8.280 nan 0.000 0.476 39 V N 5.991 125.846 119.914 -0.098 0.000 2.581 39 V HA 0.532 4.652 4.120 -0.000 0.000 0.303 39 V C -0.822 175.242 176.094 -0.050 0.000 1.041 39 V CA -1.025 61.225 62.300 -0.084 0.000 0.907 39 V CB 2.011 33.710 31.823 -0.207 0.000 0.994 39 V HN 0.582 nan 8.190 nan 0.000 0.442 40 K N 2.838 123.262 120.400 0.040 0.000 2.397 40 K HA 0.811 5.131 4.320 -0.000 0.000 0.253 40 K C -1.614 175.063 176.600 0.128 0.000 0.932 40 K CA -0.685 55.659 56.287 0.094 0.000 0.795 40 K CB 2.650 35.216 32.500 0.109 0.000 1.159 40 K HN 0.400 nan 8.250 nan 0.000 0.424 41 V N 2.866 122.904 119.914 0.206 0.000 2.817 41 V HA 0.341 4.461 4.120 -0.000 0.000 0.303 41 V C -1.723 174.552 176.094 0.302 0.000 1.151 41 V CA -0.761 61.681 62.300 0.237 0.000 0.929 41 V CB 2.011 34.010 31.823 0.292 0.000 1.030 41 V HN 0.682 nan 8.190 nan 0.000 0.427 42 K N 6.538 127.077 120.400 0.231 0.000 2.123 42 K HA 0.604 4.924 4.320 -0.000 0.000 0.259 42 K C -2.707 174.048 176.600 0.259 0.000 0.960 42 K CA -1.807 54.623 56.287 0.238 0.000 0.872 42 K CB 1.589 34.167 32.500 0.130 0.000 1.079 42 K HN 0.435 nan 8.250 nan 0.000 0.440 43 P HA -0.024 nan 4.420 nan 0.000 0.268 43 P C 0.543 177.934 177.300 0.150 0.000 1.204 43 P CA 0.707 63.949 63.100 0.235 0.000 0.768 43 P CB 0.645 32.488 31.700 0.238 0.000 0.842 44 G N 1.757 110.623 108.800 0.111 0.000 2.212 44 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.266 44 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.266 44 G C 0.480 175.426 174.900 0.077 0.000 0.978 44 G CA 0.136 45.284 45.100 0.080 0.000 0.632 44 G HN 0.867 nan 8.290 nan 0.000 0.537 45 A N -0.238 122.638 122.820 0.094 0.000 2.388 45 A HA 0.668 4.988 4.320 -0.000 0.000 0.257 45 A C 1.096 178.725 177.584 0.075 0.000 1.095 45 A CA 0.814 52.898 52.037 0.079 0.000 0.791 45 A CB 0.389 19.441 19.000 0.087 0.000 1.029 45 A HN 0.450 nan 8.150 nan 0.000 0.489 46 Q N -0.115 119.719 119.800 0.057 0.000 2.472 46 Q HA 0.029 4.369 4.340 -0.000 0.000 0.208 46 Q C 0.517 176.548 176.000 0.052 0.000 0.958 46 Q CA 1.150 56.984 55.803 0.051 0.000 0.932 46 Q CB 0.055 28.815 28.738 0.036 0.000 1.007 46 Q HN 0.929 nan 8.270 nan 0.000 0.508 47 T N -3.930 110.658 114.554 0.056 0.000 2.883 47 T HA 0.813 5.163 4.350 -0.000 0.000 0.296 47 T C -0.967 173.771 174.700 0.064 0.000 1.117 47 T CA -0.668 61.461 62.100 0.048 0.000 1.006 47 T CB 2.215 71.102 68.868 0.032 0.000 1.191 47 T HN 0.017 nan 8.240 nan 0.000 0.508 48 A N 0.998 123.846 122.820 0.048 0.000 2.486 48 A HA 0.881 5.201 4.320 -0.000 0.000 0.289 48 A C -1.261 176.337 177.584 0.022 0.000 1.176 48 A CA -1.015 51.054 52.037 0.052 0.000 0.757 48 A CB 1.357 20.386 19.000 0.048 0.000 1.337 48 A HN 0.848 nan 8.150 nan 0.000 0.423 49 I N 0.879 121.464 120.570 0.025 0.000 2.498 49 I HA 0.462 4.632 4.170 -0.000 0.000 0.290 49 I C -1.140 174.978 176.117 0.003 0.000 1.032 49 I CA -0.526 60.787 61.300 0.022 0.000 1.073 49 I CB 1.670 39.702 38.000 0.054 0.000 1.251 49 I HN 0.285 nan 8.210 nan 0.000 0.426 50 V N 5.458 125.364 119.914 -0.014 0.000 2.443 50 V HA 0.335 4.455 4.120 -0.000 0.000 0.293 50 V C 0.348 176.453 176.094 0.018 0.000 1.021 50 V CA -0.805 61.475 62.300 -0.033 0.000 0.848 50 V CB 1.197 32.959 31.823 -0.101 0.000 0.998 50 V HN 0.907 nan 8.190 nan 0.000 0.424 51 N N 4.024 122.768 118.700 0.073 0.000 2.714 51 N HA -0.253 4.487 4.740 -0.000 0.000 0.252 51 N C 1.147 176.675 175.510 0.030 0.000 1.014 51 N CA 0.477 53.566 53.050 0.065 0.000 0.735 51 N CB -0.636 37.876 38.487 0.041 0.000 0.924 51 N HN 1.398 nan 8.380 nan 0.000 0.540 52 G N -1.363 107.461 108.800 0.041 0.000 2.179 52 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 52 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 52 G C -0.169 174.740 174.900 0.014 0.000 0.977 52 G CA 0.380 45.493 45.100 0.021 0.000 0.641 52 G HN 0.403 nan 8.290 nan 0.000 0.533 53 Q N 0.488 120.295 119.800 0.011 0.000 2.312 53 Q HA 0.502 4.841 4.340 -0.000 0.000 0.263 53 Q C -2.580 173.420 176.000 0.001 0.000 0.995 53 Q CA -2.135 53.670 55.803 0.003 0.000 0.853 53 Q CB 2.181 30.918 28.738 -0.002 0.000 1.300 53 Q HN 0.215 nan 8.270 nan 0.000 0.448 54 P HA 0.170 nan 4.420 nan 0.000 0.271 54 P C -0.791 176.504 177.300 -0.008 0.000 1.216 54 P CA -0.403 62.698 63.100 0.002 0.000 0.771 54 P CB 0.505 32.209 31.700 0.005 0.000 0.864 55 L N 2.670 123.886 121.223 -0.012 0.000 2.406 55 L HA 0.692 5.032 4.340 -0.000 0.000 0.272 55 L C -0.699 176.166 176.870 -0.009 0.000 0.980 55 L CA -0.943 53.883 54.840 -0.024 0.000 0.831 55 L CB 1.583 43.608 42.059 -0.057 0.000 1.253 55 L HN 0.407 nan 8.230 nan 0.000 0.406 56 A N 5.893 128.710 122.820 -0.005 0.000 2.450 56 A HA 0.571 4.891 4.320 -0.000 0.000 0.255 56 A C -0.578 177.012 177.584 0.010 0.000 1.096 56 A CA -0.130 51.912 52.037 0.007 0.000 0.778 56 A CB -0.164 18.840 19.000 0.007 0.000 1.031 56 A HN 0.756 nan 8.150 nan 0.000 0.494 57 L N 2.589 123.831 121.223 0.031 0.000 2.322 57 L HA 0.264 4.604 4.340 -0.000 0.000 0.279 57 L C 1.375 178.274 176.870 0.048 0.000 1.036 57 L CA -0.505 54.364 54.840 0.049 0.000 0.807 57 L CB 1.482 43.599 42.059 0.097 0.000 1.226 57 L HN 0.925 nan 8.230 nan 0.000 0.433 58 Q N 1.284 121.113 119.800 0.049 0.000 2.046 58 Q HA -0.013 4.327 4.340 -0.000 0.000 0.200 58 Q C -0.236 175.794 176.000 0.049 0.000 0.975 58 Q CA 1.097 56.924 55.803 0.041 0.000 0.836 58 Q CB 0.201 28.962 28.738 0.039 0.000 0.896 58 Q HN 0.433 nan 8.270 nan 0.000 0.428 59 V N 2.690 122.646 119.914 0.071 0.000 2.376 59 V HA 0.263 4.383 4.120 -0.000 0.000 0.287 59 V C -2.257 173.889 176.094 0.087 0.000 1.015 59 V CA -1.778 60.562 62.300 0.068 0.000 0.834 59 V CB 1.291 33.153 31.823 0.065 0.000 1.001 59 V HN 0.108 nan 8.190 nan 0.000 0.428 60 P HA 0.091 nan 4.420 nan 0.000 0.269 60 P C -0.262 177.069 177.300 0.052 0.000 1.217 60 P CA -0.128 63.018 63.100 0.077 0.000 0.783 60 P CB 0.457 32.195 31.700 0.064 0.000 0.898 61 V N 2.308 122.249 119.914 0.046 0.000 2.572 61 V HA 0.132 4.252 4.120 -0.000 0.000 0.291 61 V C 0.507 176.618 176.094 0.029 0.000 1.039 61 V CA 0.070 62.352 62.300 -0.031 0.000 1.055 61 V CB 0.655 32.454 31.823 -0.039 0.000 0.969 61 V HN 0.354 nan 8.190 nan 0.000 0.482 62 V N 4.679 124.616 119.914 0.039 0.000 2.513 62 V HA 0.619 4.739 4.120 -0.000 0.000 0.299 62 V C -0.236 175.932 176.094 0.123 0.000 1.035 62 V CA -1.001 61.341 62.300 0.070 0.000 0.889 62 V CB 1.933 33.780 31.823 0.040 0.000 0.988 62 V HN 0.671 nan 8.190 nan 0.000 0.440 63 M N 4.524 124.182 119.600 0.098 0.000 2.094 63 M HA 0.447 4.927 4.480 -0.000 0.000 0.348 63 M C 0.312 176.667 176.300 0.091 0.000 1.267 63 M CA 0.097 55.455 55.300 0.097 0.000 1.125 63 M CB 0.786 33.417 32.600 0.052 0.000 1.527 63 M HN 0.882 nan 8.290 nan 0.000 0.447 64 K N 1.404 121.908 120.400 0.173 0.000 3.551 64 K HA 0.059 4.379 4.320 -0.000 0.000 0.224 64 K C -0.082 176.562 176.600 0.074 0.000 1.133 64 K CA 0.073 56.409 56.287 0.081 0.000 1.644 64 K CB 0.033 32.539 32.500 0.010 0.000 2.278 64 K HN 0.459 nan 8.250 nan 0.000 0.616 65 D N 1.396 121.853 120.400 0.095 0.000 2.745 65 D HA 0.004 4.644 4.640 -0.000 0.000 0.229 65 D C -0.541 175.789 176.300 0.050 0.000 1.088 65 D CA 0.373 54.409 54.000 0.059 0.000 1.054 65 D CB -1.305 39.532 40.800 0.062 0.000 1.132 65 D HN 0.414 nan 8.370 nan 0.000 0.464 66 N N 0.453 119.169 118.700 0.027 0.000 2.800 66 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 66 N C -1.003 174.472 175.510 -0.059 0.000 1.078 66 N CA 1.002 54.036 53.050 -0.028 0.000 0.804 66 N CB -0.559 37.913 38.487 -0.025 0.000 1.135 66 N HN 0.463 nan 8.380 nan 0.000 0.565 67 K N -0.282 120.124 120.400 0.009 0.000 2.259 67 K HA 0.801 5.121 4.320 -0.000 0.000 0.249 67 K C -0.452 176.133 176.600 -0.023 0.000 0.942 67 K CA -0.485 55.773 56.287 -0.049 0.000 0.816 67 K CB 1.866 34.351 32.500 -0.024 0.000 1.155 67 K HN 0.118 nan 8.250 nan 0.000 0.428 68 A N 1.828 124.531 122.820 -0.195 0.000 2.303 68 A HA 0.635 4.955 4.320 -0.000 0.000 0.317 68 A C -1.587 175.760 177.584 -0.394 0.000 1.149 68 A CA -0.512 51.423 52.037 -0.169 0.000 0.822 68 A CB 0.254 19.083 19.000 -0.286 0.000 1.131 68 A HN 0.651 nan 8.150 nan 0.000 0.493 69 W N 0.524 121.705 121.300 -0.200 0.000 2.844 69 W HA 0.570 5.230 4.660 -0.000 0.000 0.340 69 W C -0.342 176.021 176.519 -0.261 0.000 1.093 69 W CA -0.453 56.776 57.345 -0.194 0.000 1.212 69 W CB 2.069 31.454 29.460 -0.125 0.000 1.422 69 W HN 0.729 nan 8.180 nan 0.000 0.515 70 V N -0.349 119.507 119.914 -0.096 0.000 3.040 70 V HA 0.765 4.885 4.120 -0.000 0.000 0.312 70 V C 0.140 176.215 176.094 -0.033 0.000 1.115 70 V CA -1.222 60.935 62.300 -0.238 0.000 0.998 70 V CB 0.966 32.379 31.823 -0.683 0.000 1.042 70 V HN 0.598 nan 8.190 nan 0.000 0.433 71 S N 1.032 116.744 115.700 0.020 0.000 2.580 71 S HA 0.066 4.536 4.470 -0.000 0.000 0.266 71 S C 0.841 175.493 174.600 0.087 0.000 1.354 71 S CA 0.597 58.843 58.200 0.076 0.000 1.008 71 S CB 0.664 63.923 63.200 0.098 0.000 0.898 71 S HN 1.141 nan 8.310 nan 0.000 0.555 72 D N 0.478 120.920 120.400 0.070 0.000 2.363 72 D HA -0.053 4.587 4.640 -0.000 0.000 0.220 72 D C 1.284 177.617 176.300 0.055 0.000 0.994 72 D CA 0.921 54.954 54.000 0.056 0.000 0.890 72 D CB -0.598 40.227 40.800 0.042 0.000 0.906 72 D HN 0.547 nan 8.370 nan 0.000 0.530 73 T N -1.424 113.174 114.554 0.073 0.000 3.092 73 T HA 0.094 4.444 4.350 -0.000 0.000 0.258 73 T C 0.925 175.674 174.700 0.081 0.000 1.031 73 T CA -0.611 61.520 62.100 0.053 0.000 0.925 73 T CB -0.708 68.184 68.868 0.039 0.000 1.036 73 T HN -0.002 nan 8.240 nan 0.000 0.544 74 F N 1.971 121.903 119.950 -0.030 0.000 2.043 74 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 74 F C 1.761 177.548 175.800 -0.021 0.000 1.121 74 F CA 1.559 59.543 58.000 -0.026 0.000 1.199 74 F CB -0.435 38.549 39.000 -0.027 0.000 0.968 74 F HN 0.192 nan 8.300 nan 0.000 0.478 75 I N 0.356 120.969 120.570 0.072 0.000 2.118 75 I HA -0.433 3.737 4.170 -0.000 0.000 0.241 75 I C 2.587 178.630 176.117 -0.124 0.000 1.070 75 I CA 2.010 63.251 61.300 -0.099 0.000 1.327 75 I CB -0.754 37.013 38.000 -0.388 0.000 1.034 75 I HN 0.366 nan 8.210 nan 0.000 0.405 76 N N 0.895 119.528 118.700 -0.110 0.000 2.058 76 N HA -0.229 4.511 4.740 -0.000 0.000 0.191 76 N C 1.418 176.881 175.510 -0.078 0.000 1.037 76 N CA 2.029 55.034 53.050 -0.074 0.000 0.848 76 N CB -0.166 38.293 38.487 -0.048 0.000 1.021 76 N HN 0.307 nan 8.380 nan 0.000 0.422 77 D N 0.239 120.576 120.400 -0.105 0.000 2.144 77 D HA -0.087 4.553 4.640 -0.000 0.000 0.199 77 D C 2.033 178.205 176.300 -0.213 0.000 0.984 77 D CA 0.772 54.695 54.000 -0.128 0.000 0.834 77 D CB 0.057 40.790 40.800 -0.111 0.000 0.955 77 D HN 0.205 nan 8.370 nan 0.000 0.465 78 V N -0.011 119.680 119.914 -0.371 0.000 2.403 78 V HA -0.080 4.040 4.120 -0.000 0.000 0.239 78 V C 2.041 177.873 176.094 -0.437 0.000 1.041 78 V CA 0.847 62.831 62.300 -0.527 0.000 1.051 78 V CB -0.536 30.697 31.823 -0.984 0.000 0.704 78 V HN -0.004 nan 8.190 nan 0.000 0.472 79 F N 0.163 119.993 119.950 -0.200 0.000 2.325 79 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 79 F C 2.133 177.927 175.800 -0.011 0.000 1.090 79 F CA 0.998 58.967 58.000 -0.051 0.000 1.392 79 F CB -0.145 38.855 39.000 0.001 0.000 1.053 79 F HN 0.169 nan 8.300 nan 0.000 0.521 80 Q N -0.649 119.209 119.800 0.098 0.000 2.188 80 Q HA 0.074 4.414 4.340 -0.000 0.000 0.212 80 Q C 1.850 177.860 176.000 0.015 0.000 0.846 80 Q CA 0.224 56.066 55.803 0.065 0.000 0.989 80 Q CB 0.134 28.898 28.738 0.043 0.000 1.114 80 Q HN 0.268 nan 8.270 nan 0.000 0.488 81 S N -1.502 114.184 115.700 -0.023 0.000 2.447 81 S HA 0.035 4.505 4.470 -0.000 0.000 0.233 81 S C 1.678 176.273 174.600 -0.009 0.000 1.006 81 S CA 0.814 58.992 58.200 -0.036 0.000 0.957 81 S CB 0.006 63.163 63.200 -0.071 0.000 0.773 81 S HN 0.496 nan 8.310 nan 0.000 0.507 82 G N 0.865 109.673 108.800 0.012 0.000 2.218 82 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 82 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 82 G C 0.644 175.556 174.900 0.020 0.000 0.994 82 G CA 0.136 45.251 45.100 0.025 0.000 0.637 82 G HN 0.479 nan 8.290 nan 0.000 0.505 83 L N 0.850 122.074 121.223 0.001 0.000 2.291 83 L HA 0.205 4.545 4.340 -0.000 0.000 0.214 83 L C 1.037 177.917 176.870 0.016 0.000 1.120 83 L CA 0.938 55.777 54.840 -0.002 0.000 0.799 83 L CB -0.066 41.978 42.059 -0.024 0.000 0.925 83 L HN 0.244 nan 8.230 nan 0.000 0.446 84 D N 0.511 120.935 120.400 0.039 0.000 2.380 84 D HA 0.050 4.690 4.640 -0.000 0.000 0.230 84 D C 0.563 176.916 176.300 0.088 0.000 1.154 84 D CA -0.051 53.995 54.000 0.076 0.000 0.859 84 D CB 0.961 41.842 40.800 0.134 0.000 1.045 84 D HN 0.111 nan 8.370 nan 0.000 0.495 85 Q N 2.272 122.104 119.800 0.053 0.000 2.280 85 Q HA 0.021 4.361 4.340 -0.000 0.000 0.202 85 Q C 1.160 177.174 176.000 0.023 0.000 0.903 85 Q CA 0.089 55.918 55.803 0.044 0.000 0.948 85 Q CB 0.408 29.155 28.738 0.016 0.000 1.058 85 Q HN 0.519 nan 8.270 nan 0.000 0.493 86 T N 0.689 115.251 114.554 0.013 0.000 2.665 86 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 86 T C 0.300 174.833 174.700 -0.279 0.000 1.035 86 T CA 1.280 63.299 62.100 -0.134 0.000 1.151 86 T CB -0.075 68.736 68.868 -0.095 0.000 0.862 86 T HN 0.115 nan 8.240 nan 0.000 0.438 87 F N 1.556 121.548 119.950 0.068 0.000 2.420 87 F HA 0.472 4.999 4.527 -0.000 0.000 0.342 87 F C 0.488 176.315 175.800 0.047 0.000 1.113 87 F CA -1.018 57.018 58.000 0.060 0.000 1.059 87 F CB 1.101 40.136 39.000 0.059 0.000 1.128 87 F HN -0.136 nan 8.300 nan 0.000 0.475 88 Q N 2.106 122.012 119.800 0.177 0.000 2.399 88 Q HA 0.498 4.838 4.340 -0.000 0.000 0.276 88 Q C -0.645 175.424 176.000 0.115 0.000 1.098 88 Q CA -1.110 54.763 55.803 0.116 0.000 0.827 88 Q CB 2.686 31.463 28.738 0.065 0.000 1.386 88 Q HN 0.570 nan 8.270 nan 0.000 0.443 89 V N -1.424 118.542 119.914 0.086 0.000 2.715 89 V HA 0.219 4.339 4.120 -0.000 0.000 0.299 89 V C 0.116 176.254 176.094 0.073 0.000 1.054 89 V CA -0.289 62.056 62.300 0.075 0.000 1.077 89 V CB 0.731 32.588 31.823 0.057 0.000 0.972 89 V HN 0.824 nan 8.190 nan 0.000 0.484 90 E N 3.670 123.916 120.200 0.077 0.000 2.035 90 E HA 0.298 4.648 4.350 -0.000 0.000 0.271 90 E C 0.570 177.218 176.600 0.080 0.000 0.953 90 E CA -0.542 55.911 56.400 0.088 0.000 0.777 90 E CB 0.906 30.667 29.700 0.102 0.000 1.104 90 E HN 0.793 nan 8.360 nan 0.000 0.408 91 K N 2.988 123.433 120.400 0.075 0.000 2.167 91 K HA 0.031 4.351 4.320 -0.000 0.000 0.203 91 K C 0.305 176.955 176.600 0.083 0.000 1.052 91 K CA 0.707 57.034 56.287 0.066 0.000 0.956 91 K CB 0.283 32.813 32.500 0.050 0.000 0.735 91 K HN 0.329 nan 8.250 nan 0.000 0.451 92 R N 1.790 122.363 120.500 0.122 0.000 2.407 92 R HA 0.228 4.567 4.340 -0.000 0.000 0.298 92 R C -2.659 173.783 176.300 0.237 0.000 1.166 92 R CA -1.804 54.403 56.100 0.177 0.000 1.006 92 R CB 1.397 31.819 30.300 0.204 0.000 1.145 92 R HN -0.026 nan 8.270 nan 0.000 0.538 93 P HA -0.099 nan 4.420 nan 0.000 0.264 93 P C -0.510 176.750 177.300 -0.066 0.000 1.193 93 P CA 0.176 63.322 63.100 0.077 0.000 0.763 93 P CB 0.494 32.206 31.700 0.020 0.000 0.810 94 H N 6.236 125.214 119.070 -0.153 0.000 2.815 94 H HA 0.039 4.595 4.556 -0.000 0.000 0.350 94 H C -1.344 173.647 175.328 -0.562 0.000 1.080 94 H CA -1.301 54.433 56.048 -0.523 0.000 1.433 94 H CB 0.732 30.402 29.762 -0.153 0.000 1.432 94 H HN 0.235 nan 8.280 nan 0.000 0.592 95 P HA -0.067 nan 4.420 nan 0.000 0.230 95 P C 1.197 178.389 177.300 -0.180 0.000 1.158 95 P CA 0.870 63.727 63.100 -0.406 0.000 0.769 95 P CB 0.289 31.723 31.700 -0.443 0.000 0.807 96 L N -1.435 119.762 121.223 -0.044 0.000 2.607 96 L HA 0.151 4.491 4.340 -0.000 0.000 0.228 96 L C 0.740 177.523 176.870 -0.145 0.000 1.123 96 L CA -0.239 54.467 54.840 -0.223 0.000 0.890 96 L CB -0.750 41.026 42.059 -0.471 0.000 1.103 96 L HN -0.070 nan 8.230 nan 0.000 0.468 97 N N 1.501 120.194 118.700 -0.012 0.000 2.357 97 N HA 0.118 4.858 4.740 -0.000 0.000 0.257 97 N C 0.507 176.034 175.510 0.029 0.000 1.250 97 N CA -0.211 52.909 53.050 0.116 0.000 0.862 97 N CB 0.861 39.394 38.487 0.076 0.000 1.066 97 N HN 0.190 nan 8.380 nan 0.000 0.468 98 A N 3.164 125.997 122.820 0.021 0.000 2.429 98 A HA 0.110 4.430 4.320 -0.000 0.000 0.242 98 A C 0.506 178.080 177.584 -0.016 0.000 1.088 98 A CA -0.259 51.771 52.037 -0.012 0.000 0.784 98 A CB 0.178 19.160 19.000 -0.031 0.000 1.038 98 A HN 0.648 nan 8.150 nan 0.000 0.501 99 L N 1.264 122.475 121.223 -0.020 0.000 2.490 99 L HA 0.149 4.489 4.340 -0.000 0.000 0.274 99 L C 1.426 178.282 176.870 -0.023 0.000 1.201 99 L CA -0.025 54.802 54.840 -0.021 0.000 0.869 99 L CB 0.057 42.102 42.059 -0.022 0.000 1.123 99 L HN 0.973 nan 8.230 nan 0.000 0.484 100 T N -0.284 114.257 114.554 -0.022 0.000 2.788 100 T HA 0.361 4.711 4.350 -0.000 0.000 0.280 100 T C 1.171 175.854 174.700 -0.029 0.000 0.984 100 T CA -0.220 61.866 62.100 -0.022 0.000 0.972 100 T CB 1.385 70.242 68.868 -0.018 0.000 1.039 100 T HN 0.619 nan 8.240 nan 0.000 0.530 101 A N 0.431 123.233 122.820 -0.030 0.000 1.933 101 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 101 A C 2.032 179.592 177.584 -0.040 0.000 1.175 101 A CA 1.552 53.567 52.037 -0.037 0.000 0.628 101 A CB -1.015 17.966 19.000 -0.031 0.000 0.814 101 A HN 0.883 nan 8.150 nan 0.000 0.444 102 D N -0.271 120.110 120.400 -0.032 0.000 2.117 102 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 102 D C 1.893 178.172 176.300 -0.035 0.000 0.982 102 D CA 1.308 55.289 54.000 -0.032 0.000 0.828 102 D CB -0.344 40.442 40.800 -0.023 0.000 0.967 102 D HN 0.633 nan 8.370 nan 0.000 0.464 103 E N 0.015 120.196 120.200 -0.032 0.000 2.150 103 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 103 E C 2.274 178.848 176.600 -0.045 0.000 0.985 103 E CA 0.288 56.669 56.400 -0.031 0.000 0.814 103 E CB 0.056 29.741 29.700 -0.024 0.000 0.752 103 E HN 0.291 nan 8.360 nan 0.000 0.466 104 I N 1.102 121.639 120.570 -0.056 0.000 2.252 104 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 104 I C 2.309 178.358 176.117 -0.113 0.000 1.102 104 I CA 1.198 62.447 61.300 -0.084 0.000 1.385 104 I CB -0.061 37.888 38.000 -0.086 0.000 1.064 104 I HN -0.022 nan 8.210 nan 0.000 0.414 105 K N 0.074 120.417 120.400 -0.095 0.000 2.057 105 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 105 K C 2.178 178.726 176.600 -0.087 0.000 1.049 105 K CA 1.304 57.530 56.287 -0.101 0.000 0.931 105 K CB -0.177 32.279 32.500 -0.074 0.000 0.714 105 K HN 0.350 nan 8.250 nan 0.000 0.440 106 Q N 0.364 120.127 119.800 -0.061 0.000 2.084 106 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 106 Q C 2.012 177.988 176.000 -0.039 0.000 0.978 106 Q CA 1.472 57.249 55.803 -0.044 0.000 0.844 106 Q CB -0.060 28.660 28.738 -0.029 0.000 0.898 106 Q HN 0.327 nan 8.270 nan 0.000 0.426 107 A N -0.101 122.694 122.820 -0.041 0.000 1.933 107 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 107 A C 2.187 179.757 177.584 -0.022 0.000 1.175 107 A CA 1.425 53.452 52.037 -0.017 0.000 0.628 107 A CB -0.632 18.356 19.000 -0.021 0.000 0.814 107 A HN 0.298 nan 8.150 nan 0.000 0.444 108 V N 0.173 120.023 119.914 -0.107 0.000 2.343 108 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 108 V C 2.403 178.443 176.094 -0.090 0.000 1.051 108 V CA 2.284 64.490 62.300 -0.156 0.000 1.036 108 V CB -0.853 30.773 31.823 -0.329 0.000 0.654 108 V HN 0.640 nan 8.190 nan 0.000 0.451 109 E N -0.098 120.051 120.200 -0.085 0.000 2.077 109 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 109 E C 2.200 178.772 176.600 -0.047 0.000 0.989 109 E CA 1.501 57.854 56.400 -0.078 0.000 0.800 109 E CB -0.226 29.438 29.700 -0.059 0.000 0.746 109 E HN 0.550 nan 8.360 nan 0.000 0.452 110 I N 1.103 121.670 120.570 -0.005 0.000 2.208 110 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 110 I C 2.611 178.781 176.117 0.088 0.000 1.097 110 I CA 1.157 62.479 61.300 0.037 0.000 1.363 110 I CB -0.381 37.652 38.000 0.055 0.000 1.051 110 I HN 0.090 nan 8.210 nan 0.000 0.413 111 V N -1.790 118.213 119.914 0.149 0.000 2.548 111 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 111 V C 2.205 178.384 176.094 0.140 0.000 1.055 111 V CA 1.304 63.806 62.300 0.336 0.000 1.065 111 V CB -0.889 31.264 31.823 0.550 0.000 0.681 111 V HN 0.316 nan 8.190 nan 0.000 0.462 112 K N 1.271 121.523 120.400 -0.246 0.000 2.211 112 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 112 K C 2.242 178.716 176.600 -0.209 0.000 1.050 112 K CA 1.353 57.268 56.287 -0.620 0.000 0.945 112 K CB -0.406 31.740 32.500 -0.589 0.000 0.732 112 K HN 0.591 nan 8.250 nan 0.000 0.451 113 A N 0.985 123.753 122.820 -0.086 0.000 2.167 113 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 113 A C 1.153 178.723 177.584 -0.022 0.000 1.151 113 A CA 0.347 52.360 52.037 -0.040 0.000 0.735 113 A CB -0.073 18.913 19.000 -0.023 0.000 0.802 113 A HN 0.205 nan 8.150 nan 0.000 0.467 114 S N -0.730 114.966 115.700 -0.007 0.000 2.580 114 S HA 0.451 4.921 4.470 -0.000 0.000 0.274 114 S C 1.169 175.699 174.600 -0.116 0.000 1.329 114 S CA -0.009 58.141 58.200 -0.084 0.000 1.036 114 S CB 1.207 64.290 63.200 -0.195 0.000 0.919 114 S HN 0.769 nan 8.310 nan 0.000 0.515 115 A N 3.082 125.805 122.820 -0.162 0.000 2.216 115 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 115 A C 1.417 178.879 177.584 -0.205 0.000 1.160 115 A CA 1.043 52.998 52.037 -0.137 0.000 0.725 115 A CB -0.334 18.586 19.000 -0.133 0.000 0.784 115 A HN 0.883 nan 8.150 nan 0.000 0.472 116 D N -1.731 118.413 120.400 -0.427 0.000 2.367 116 D HA 0.085 4.725 4.640 -0.000 0.000 0.207 116 D C -0.074 176.077 176.300 -0.247 0.000 1.034 116 D CA -0.106 53.587 54.000 -0.512 0.000 0.861 116 D CB -0.006 40.076 40.800 -1.197 0.000 0.943 116 D HN 0.423 nan 8.370 nan 0.000 0.515 117 F N 2.857 122.673 119.950 -0.224 0.000 2.571 117 F HA 0.027 4.554 4.527 -0.000 0.000 0.384 117 F C 0.633 176.478 175.800 0.076 0.000 1.058 117 F CA -0.059 58.016 58.000 0.126 0.000 1.200 117 F CB 0.410 39.503 39.000 0.154 0.000 1.077 117 F HN -0.470 nan 8.300 nan 0.000 0.558 118 K N 8.308 128.476 120.400 -0.388 0.000 2.156 118 K HA 0.228 4.548 4.320 -0.000 0.000 0.271 118 K C -1.640 174.845 176.600 -0.191 0.000 0.995 118 K CA -1.686 54.484 56.287 -0.196 0.000 0.890 118 K CB 1.216 33.615 32.500 -0.168 0.000 1.073 118 K HN 0.309 nan 8.250 nan 0.000 0.454 119 P HA -0.227 nan 4.420 nan 0.000 0.226 119 P C -0.125 177.230 177.300 0.091 0.000 1.154 119 P CA 1.762 64.925 63.100 0.105 0.000 0.918 119 P CB 0.178 31.917 31.700 0.065 0.000 0.790 120 N N -2.362 116.340 118.700 0.002 0.000 2.535 120 N HA 0.113 4.853 4.740 -0.000 0.000 0.294 120 N C -0.768 174.727 175.510 -0.027 0.000 1.408 120 N CA -0.083 52.987 53.050 0.035 0.000 0.927 120 N CB 0.056 38.566 38.487 0.037 0.000 1.276 120 N HN -0.041 nan 8.380 nan 0.000 0.505 121 T N 0.762 115.224 114.554 -0.154 0.000 2.940 121 T HA 0.156 4.506 4.350 -0.000 0.000 0.309 121 T C 0.703 175.272 174.700 -0.219 0.000 1.056 121 T CA 0.341 62.254 62.100 -0.311 0.000 1.137 121 T CB 0.799 69.193 68.868 -0.789 0.000 0.976 121 T HN 0.166 nan 8.240 nan 0.000 0.547 122 R N 0.736 121.090 120.500 -0.244 0.000 2.856 122 R HA 0.581 4.921 4.340 -0.000 0.000 0.258 122 R C -1.060 175.047 176.300 -0.321 0.000 1.066 122 R CA -0.735 55.312 56.100 -0.087 0.000 1.045 122 R CB 1.007 31.409 30.300 0.170 0.000 1.178 122 R HN 0.455 nan 8.270 nan 0.000 0.499 123 F N 0.071 120.105 119.950 0.139 0.000 2.382 123 F HA 0.188 4.715 4.527 -0.000 0.000 0.361 123 F C 1.450 177.319 175.800 0.115 0.000 1.109 123 F CA -0.745 57.319 58.000 0.107 0.000 1.031 123 F CB 1.764 40.816 39.000 0.087 0.000 1.234 123 F HN 0.620 nan 8.300 nan 0.000 0.445 124 T N -1.672 112.997 114.554 0.191 0.000 2.904 124 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 124 T C 0.388 175.172 174.700 0.140 0.000 1.059 124 T CA 0.870 63.056 62.100 0.144 0.000 1.137 124 T CB 0.183 69.104 68.868 0.089 0.000 0.879 124 T HN 0.588 nan 8.240 nan 0.000 0.467 125 E N -0.648 119.646 120.200 0.156 0.000 2.381 125 E HA 0.543 4.893 4.350 -0.000 0.000 0.286 125 E C -2.074 174.602 176.600 0.128 0.000 0.960 125 E CA -0.742 55.728 56.400 0.117 0.000 0.793 125 E CB 1.798 31.539 29.700 0.068 0.000 1.225 125 E HN 0.360 nan 8.360 nan 0.000 0.420 126 I N 3.136 123.760 120.570 0.090 0.000 2.503 126 I HA 0.349 4.519 4.170 -0.000 0.000 0.282 126 I C -0.887 175.249 176.117 0.032 0.000 1.059 126 I CA -0.261 61.077 61.300 0.063 0.000 1.081 126 I CB 1.789 39.795 38.000 0.011 0.000 1.210 126 I HN 0.343 nan 8.210 nan 0.000 0.450 127 S N 4.916 120.635 115.700 0.032 0.000 2.661 127 S HA 0.581 5.051 4.470 -0.000 0.000 0.285 127 S C -0.792 173.815 174.600 0.012 0.000 1.138 127 S CA -0.722 57.488 58.200 0.017 0.000 0.855 127 S CB 2.317 65.531 63.200 0.023 0.000 1.136 127 S HN 0.456 nan 8.310 nan 0.000 0.484 128 L N 2.112 123.334 121.223 -0.002 0.000 2.453 128 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 128 L C -0.706 176.164 176.870 -0.000 0.000 1.182 128 L CA -0.194 54.642 54.840 -0.006 0.000 0.858 128 L CB 0.253 42.299 42.059 -0.021 0.000 1.120 128 L HN 0.586 nan 8.230 nan 0.000 0.474 129 L N 8.661 129.887 121.223 0.004 0.000 2.272 129 L HA 0.614 4.954 4.340 -0.000 0.000 0.284 129 L C -2.387 174.484 176.870 0.002 0.000 1.045 129 L CA -2.000 52.846 54.840 0.010 0.000 0.842 129 L CB 0.461 42.532 42.059 0.019 0.000 1.224 129 L HN 0.504 nan 8.230 nan 0.000 0.430 130 P HA 0.350 nan 4.420 nan 0.000 0.274 130 P C -2.681 174.627 177.300 0.012 0.000 1.231 130 P CA -1.182 61.916 63.100 -0.004 0.000 0.790 130 P CB 0.004 31.711 31.700 0.011 0.000 0.951 131 P HA 0.101 nan 4.420 nan 0.000 0.274 131 P C -0.592 176.728 177.300 0.033 0.000 1.260 131 P CA -0.088 63.015 63.100 0.007 0.000 0.793 131 P CB -0.047 31.643 31.700 -0.016 0.000 1.048 132 D N -1.358 119.062 120.400 0.032 0.000 2.382 132 D HA 0.040 4.679 4.640 -0.000 0.000 0.240 132 D C 1.179 177.478 176.300 -0.000 0.000 1.146 132 D CA -0.501 53.521 54.000 0.038 0.000 0.897 132 D CB 0.646 41.469 40.800 0.038 0.000 1.197 132 D HN 0.294 nan 8.370 nan 0.000 0.432 133 K N 0.752 121.098 120.400 -0.089 0.000 2.059 133 K HA -0.361 3.959 4.320 -0.000 0.000 0.212 133 K C 1.780 178.246 176.600 -0.223 0.000 1.050 133 K CA 1.946 57.976 56.287 -0.428 0.000 0.927 133 K CB -0.070 31.986 32.500 -0.740 0.000 0.714 133 K HN 0.675 nan 8.250 nan 0.000 0.447 134 E N -0.446 119.711 120.200 -0.071 0.000 2.051 134 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 134 E C 1.808 178.467 176.600 0.098 0.000 0.991 134 E CA 1.176 57.603 56.400 0.046 0.000 0.799 134 E CB -0.181 29.536 29.700 0.028 0.000 0.748 134 E HN 0.479 nan 8.360 nan 0.000 0.449 135 A N 0.423 123.280 122.820 0.062 0.000 1.930 135 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 135 A C 2.381 180.027 177.584 0.102 0.000 1.175 135 A CA 1.262 53.345 52.037 0.076 0.000 0.627 135 A CB -0.515 18.512 19.000 0.045 0.000 0.815 135 A HN 0.225 nan 8.150 nan 0.000 0.443 136 V N -2.237 117.719 119.914 0.070 0.000 2.343 136 V HA -0.282 3.837 4.120 -0.000 0.000 0.247 136 V C 2.216 178.408 176.094 0.163 0.000 1.051 136 V CA 1.734 64.066 62.300 0.053 0.000 1.036 136 V CB -0.968 30.894 31.823 0.066 0.000 0.654 136 V HN 0.795 nan 8.190 nan 0.000 0.451 137 W N -0.169 121.212 121.300 0.135 0.000 2.402 137 W HA -0.076 4.583 4.660 -0.000 0.000 0.286 137 W C 2.520 179.092 176.519 0.089 0.000 1.221 137 W CA 0.841 58.264 57.345 0.130 0.000 1.257 137 W CB -0.152 29.344 29.460 0.060 0.000 1.120 137 W HN 0.198 nan 8.180 nan 0.000 0.551 138 A N -0.533 122.470 122.820 0.304 0.000 2.015 138 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 138 A C 1.613 179.290 177.584 0.155 0.000 1.163 138 A CA 1.259 53.406 52.037 0.183 0.000 0.646 138 A CB -1.103 17.968 19.000 0.117 0.000 0.806 138 A HN 0.421 nan 8.150 nan 0.000 0.448 139 F N 0.928 120.899 119.950 0.034 0.000 2.113 139 F HA -0.014 4.513 4.527 -0.000 0.000 0.297 139 F C 2.452 178.248 175.800 -0.008 0.000 1.103 139 F CA 1.348 59.329 58.000 -0.032 0.000 1.248 139 F CB -0.304 38.607 39.000 -0.148 0.000 0.999 139 F HN 0.234 nan 8.300 nan 0.000 0.475 140 A N 0.400 123.355 122.820 0.225 0.000 1.930 140 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 140 A C 2.146 179.820 177.584 0.150 0.000 1.175 140 A CA 1.823 53.985 52.037 0.209 0.000 0.627 140 A CB -0.968 18.259 19.000 0.378 0.000 0.815 140 A HN 0.509 nan 8.150 nan 0.000 0.443 141 L N -1.750 119.590 121.223 0.194 0.000 2.416 141 L HA 0.101 4.441 4.340 -0.000 0.000 0.216 141 L C 1.360 178.241 176.870 0.019 0.000 1.098 141 L CA 0.722 55.630 54.840 0.115 0.000 0.840 141 L CB 0.015 42.138 42.059 0.107 0.000 0.981 141 L HN 0.389 nan 8.230 nan 0.000 0.462 142 E N -1.089 119.101 120.200 -0.017 0.000 2.676 142 E HA 0.149 4.499 4.350 -0.000 0.000 0.222 142 E C -0.317 176.215 176.600 -0.113 0.000 0.968 142 E CA -0.175 56.196 56.400 -0.048 0.000 1.090 142 E CB 0.579 30.270 29.700 -0.015 0.000 1.066 142 E HN 0.202 nan 8.360 nan 0.000 0.496 143 N N 1.691 120.246 118.700 -0.241 0.000 2.741 143 N HA -0.200 4.540 4.740 -0.000 0.000 0.251 143 N C -0.162 175.218 175.510 -0.216 0.000 1.112 143 N CA 0.976 53.800 53.050 -0.377 0.000 0.750 143 N CB -0.960 37.374 38.487 -0.254 0.000 1.119 143 N HN 0.281 nan 8.380 nan 0.000 0.561 144 K N 1.807 122.150 120.400 -0.095 0.000 2.297 144 K HA 0.239 4.559 4.320 -0.000 0.000 0.286 144 K C -2.417 174.261 176.600 0.130 0.000 1.053 144 K CA -1.166 55.131 56.287 0.016 0.000 0.940 144 K CB 0.828 33.351 32.500 0.038 0.000 1.019 144 K HN -0.180 nan 8.250 nan 0.000 0.475 145 P HA -0.033 nan 4.420 nan 0.000 0.268 145 P C -0.701 176.683 177.300 0.139 0.000 1.205 145 P CA -0.349 62.869 63.100 0.197 0.000 0.771 145 P CB 0.669 32.437 31.700 0.113 0.000 0.858 146 V N 2.921 122.899 119.914 0.106 0.000 2.732 146 V HA 0.110 4.230 4.120 -0.000 0.000 0.297 146 V C 0.749 176.861 176.094 0.029 0.000 1.060 146 V CA 0.307 62.631 62.300 0.040 0.000 1.038 146 V CB 0.795 32.600 31.823 -0.031 0.000 1.003 146 V HN 0.654 nan 8.190 nan 0.000 0.481 147 D N 1.660 122.076 120.400 0.025 0.000 2.980 147 D HA 0.321 4.961 4.640 -0.000 0.000 0.333 147 D C -0.168 176.140 176.300 0.014 0.000 1.356 147 D CA -0.405 53.608 54.000 0.021 0.000 0.847 147 D CB 0.219 41.035 40.800 0.026 0.000 1.122 147 D HN 0.565 nan 8.370 nan 0.000 0.475 148 Q N 0.890 120.694 119.800 0.006 0.000 2.345 148 Q HA 0.495 4.835 4.340 -0.000 0.000 0.268 148 Q C -2.399 173.600 176.000 -0.002 0.000 1.054 148 Q CA -2.132 53.674 55.803 0.004 0.000 0.835 148 Q CB 2.073 30.813 28.738 0.003 0.000 1.339 148 Q HN 0.176 nan 8.270 nan 0.000 0.447 149 P HA 0.118 nan 4.420 nan 0.000 0.274 149 P C -0.803 176.494 177.300 -0.005 0.000 1.237 149 P CA -0.405 62.696 63.100 0.001 0.000 0.793 149 P CB 0.728 32.432 31.700 0.007 0.000 0.977 150 R N 2.107 122.602 120.500 -0.009 0.000 2.401 150 R HA 0.255 4.595 4.340 -0.000 0.000 0.299 150 R C 0.484 176.783 176.300 -0.002 0.000 1.064 150 R CA 0.140 56.232 56.100 -0.013 0.000 1.000 150 R CB 0.354 30.645 30.300 -0.016 0.000 0.973 150 R HN 0.512 nan 8.270 nan 0.000 0.438 151 K N 1.002 121.402 120.400 -0.000 0.000 2.340 151 K HA 0.717 5.037 4.320 -0.000 0.000 0.244 151 K C -0.836 175.771 176.600 0.011 0.000 0.973 151 K CA -0.815 55.478 56.287 0.011 0.000 0.828 151 K CB 2.448 34.958 32.500 0.016 0.000 1.226 151 K HN 0.588 nan 8.250 nan 0.000 0.437 152 A N 1.430 124.262 122.820 0.021 0.000 2.435 152 A HA 0.433 4.753 4.320 -0.000 0.000 0.304 152 A C -1.424 176.182 177.584 0.036 0.000 1.064 152 A CA -0.804 51.246 52.037 0.022 0.000 0.727 152 A CB 1.118 20.130 19.000 0.018 0.000 1.284 152 A HN 0.648 nan 8.150 nan 0.000 0.415 153 D N 0.992 121.415 120.400 0.039 0.000 2.198 153 D HA 0.488 5.128 4.640 -0.000 0.000 0.245 153 D C -0.972 175.365 176.300 0.062 0.000 1.079 153 D CA 0.197 54.225 54.000 0.047 0.000 0.854 153 D CB 1.894 42.724 40.800 0.050 0.000 1.148 153 D HN 0.154 nan 8.370 nan 0.000 0.456 154 V N 4.459 124.415 119.914 0.071 0.000 2.447 154 V HA 0.347 4.467 4.120 -0.000 0.000 0.292 154 V C 0.164 176.305 176.094 0.078 0.000 1.021 154 V CA -0.672 61.701 62.300 0.122 0.000 0.850 154 V CB 1.464 33.388 31.823 0.169 0.000 1.005 154 V HN 0.384 nan 8.190 nan 0.000 0.426 155 I N 5.668 126.299 120.570 0.102 0.000 2.321 155 I HA 0.494 4.664 4.170 -0.000 0.000 0.291 155 I C -0.107 176.021 176.117 0.019 0.000 0.998 155 I CA -0.205 61.121 61.300 0.043 0.000 1.227 155 I CB 1.606 39.660 38.000 0.091 0.000 1.368 155 I HN 0.459 nan 8.210 nan 0.000 0.466 156 M N 6.365 125.890 119.600 -0.126 0.000 2.537 156 M HA 0.458 4.938 4.480 -0.000 0.000 0.324 156 M C -1.087 175.089 176.300 -0.206 0.000 1.187 156 M CA -0.837 54.310 55.300 -0.256 0.000 0.993 156 M CB 2.390 34.750 32.600 -0.399 0.000 1.666 156 M HN 0.327 nan 8.290 nan 0.000 0.461 157 L N 2.698 123.793 121.223 -0.213 0.000 2.345 157 L HA 0.387 4.727 4.340 -0.000 0.000 0.274 157 L C -1.177 175.594 176.870 -0.166 0.000 0.999 157 L CA -0.201 54.554 54.840 -0.142 0.000 0.849 157 L CB 0.945 42.958 42.059 -0.076 0.000 1.220 157 L HN 0.533 nan 8.230 nan 0.000 0.422 158 D N 4.412 124.731 120.400 -0.135 0.000 2.479 158 D HA 0.546 5.186 4.640 -0.000 0.000 0.218 158 D C 0.978 177.268 176.300 -0.017 0.000 1.131 158 D CA 0.892 54.823 54.000 -0.116 0.000 0.916 158 D CB 0.536 41.275 40.800 -0.102 0.000 1.022 158 D HN 0.828 nan 8.370 nan 0.000 0.515 159 G N 4.935 113.710 108.800 -0.041 0.000 2.950 159 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.299 159 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.299 159 G C 0.756 175.602 174.900 -0.089 0.000 1.310 159 G CA 0.708 45.792 45.100 -0.027 0.000 0.994 159 G HN 0.659 nan 8.290 nan 0.000 0.575 160 K N 0.775 121.058 120.400 -0.195 0.000 2.477 160 K HA 0.387 4.707 4.320 -0.000 0.000 0.208 160 K C 0.116 176.465 176.600 -0.417 0.000 1.117 160 K CA 0.019 56.126 56.287 -0.301 0.000 1.039 160 K CB 0.435 32.721 32.500 -0.356 0.000 0.937 160 K HN 0.638 nan 8.250 nan 0.000 0.570 161 H N 1.268 120.252 119.070 -0.144 0.000 2.527 161 H HA 0.283 4.839 4.556 -0.000 0.000 0.321 161 H C -0.271 174.944 175.328 -0.188 0.000 1.087 161 H CA -0.617 55.329 56.048 -0.169 0.000 1.337 161 H CB 1.153 30.834 29.762 -0.136 0.000 1.440 161 H HN 0.014 nan 8.280 nan 0.000 0.490 162 I N 4.281 124.774 120.570 -0.129 0.000 2.428 162 I HA 0.155 4.325 4.170 -0.000 0.000 0.289 162 I C -0.151 175.853 176.117 -0.187 0.000 1.019 162 I CA -0.273 60.917 61.300 -0.184 0.000 1.351 162 I CB 0.618 38.425 38.000 -0.320 0.000 1.412 162 I HN 0.483 nan 8.210 nan 0.000 0.513 163 I N 5.651 126.087 120.570 -0.223 0.000 2.647 163 I HA 0.306 4.476 4.170 -0.000 0.000 0.295 163 I C -0.179 175.753 176.117 -0.309 0.000 1.078 163 I CA -0.443 60.659 61.300 -0.330 0.000 1.048 163 I CB 2.034 39.690 38.000 -0.572 0.000 1.239 163 I HN 0.439 nan 8.210 nan 0.000 0.421 164 E N 4.116 124.152 120.200 -0.274 0.000 2.165 164 E HA 0.792 5.142 4.350 -0.000 0.000 0.266 164 E C -1.015 175.457 176.600 -0.213 0.000 0.889 164 E CA -0.772 55.534 56.400 -0.157 0.000 0.756 164 E CB 2.114 31.799 29.700 -0.026 0.000 1.131 164 E HN 0.670 nan 8.360 nan 0.000 0.411 165 A N 2.509 125.224 122.820 -0.174 0.000 2.386 165 A HA 0.757 5.077 4.320 -0.000 0.000 0.308 165 A C -0.942 176.651 177.584 0.015 0.000 1.128 165 A CA -0.629 51.352 52.037 -0.095 0.000 0.789 165 A CB 1.579 20.538 19.000 -0.069 0.000 1.325 165 A HN 0.378 nan 8.150 nan 0.000 0.437 166 V N 1.247 121.200 119.914 0.065 0.000 2.483 166 V HA 0.558 4.678 4.120 -0.000 0.000 0.297 166 V C -0.365 175.779 176.094 0.083 0.000 1.027 166 V CA -0.421 61.919 62.300 0.066 0.000 0.855 166 V CB 1.447 33.303 31.823 0.055 0.000 0.995 166 V HN 1.123 nan 8.190 nan 0.000 0.424 167 V N 0.970 120.927 119.914 0.071 0.000 2.715 167 V HA 0.729 4.849 4.120 -0.000 0.000 0.310 167 V C -0.656 175.466 176.094 0.047 0.000 1.054 167 V CA -0.641 61.701 62.300 0.070 0.000 0.928 167 V CB 2.138 34.004 31.823 0.071 0.000 1.007 167 V HN 0.784 nan 8.190 nan 0.000 0.437 168 D N 2.750 123.175 120.400 0.042 0.000 2.373 168 D HA 0.391 5.031 4.640 -0.000 0.000 0.227 168 D C 0.752 177.065 176.300 0.022 0.000 1.091 168 D CA -0.273 53.745 54.000 0.029 0.000 0.840 168 D CB 1.675 42.493 40.800 0.029 0.000 1.060 168 D HN 0.608 nan 8.370 nan 0.000 0.502 169 L N 3.035 124.267 121.223 0.014 0.000 2.156 169 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 169 L C 2.516 179.389 176.870 0.004 0.000 1.095 169 L CA 0.827 55.671 54.840 0.007 0.000 0.770 169 L CB -0.255 41.804 42.059 0.000 0.000 0.914 169 L HN 0.496 nan 8.230 nan 0.000 0.439 170 Q N 0.413 120.216 119.800 0.005 0.000 1.990 170 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 170 Q C 1.750 177.754 176.000 0.007 0.000 0.980 170 Q CA 1.601 57.407 55.803 0.005 0.000 0.832 170 Q CB 0.093 28.834 28.738 0.005 0.000 0.897 170 Q HN 0.463 nan 8.270 nan 0.000 0.427 171 N N 0.964 119.670 118.700 0.010 0.000 2.521 171 N HA -0.089 4.651 4.740 -0.000 0.000 0.188 171 N C -0.199 175.318 175.510 0.013 0.000 1.146 171 N CA 0.595 53.652 53.050 0.012 0.000 0.893 171 N CB -0.174 38.322 38.487 0.015 0.000 0.975 171 N HN 0.312 nan 8.380 nan 0.000 0.451 172 N N 0.892 119.599 118.700 0.013 0.000 2.725 172 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 172 N C -1.318 174.205 175.510 0.021 0.000 1.031 172 N CA 0.866 53.924 53.050 0.014 0.000 0.720 172 N CB -0.902 37.589 38.487 0.007 0.000 0.930 172 N HN 0.463 nan 8.380 nan 0.000 0.543 173 K N -0.921 119.497 120.400 0.030 0.000 2.477 173 K HA 0.554 4.874 4.320 -0.000 0.000 0.255 173 K C -0.809 175.827 176.600 0.061 0.000 0.952 173 K CA -1.264 55.047 56.287 0.040 0.000 0.826 173 K CB 1.651 34.172 32.500 0.036 0.000 1.331 173 K HN -0.009 nan 8.250 nan 0.000 0.437 174 L N 2.961 124.231 121.223 0.079 0.000 2.361 174 L HA 0.163 4.503 4.340 -0.000 0.000 0.278 174 L C 0.200 177.133 176.870 0.104 0.000 1.113 174 L CA 0.117 55.029 54.840 0.120 0.000 0.849 174 L CB 0.196 42.350 42.059 0.157 0.000 1.155 174 L HN 0.807 nan 8.230 nan 0.000 0.452 175 L N 3.024 124.310 121.223 0.105 0.000 2.357 175 L HA 0.271 4.610 4.340 -0.000 0.000 0.211 175 L C 0.540 177.474 176.870 0.107 0.000 1.075 175 L CA 0.548 55.440 54.840 0.086 0.000 0.830 175 L CB -0.044 42.055 42.059 0.066 0.000 0.996 175 L HN 0.812 nan 8.230 nan 0.000 0.467 176 S N -1.913 113.872 115.700 0.142 0.000 2.565 176 S HA 0.398 4.868 4.470 -0.000 0.000 0.269 176 S C -2.152 172.596 174.600 0.245 0.000 1.153 176 S CA -0.716 57.581 58.200 0.162 0.000 0.835 176 S CB 2.179 65.440 63.200 0.102 0.000 1.122 176 S HN 0.201 nan 8.310 nan 0.000 0.462 177 W N 2.748 124.070 121.300 0.037 0.000 2.728 177 W HA 0.446 5.106 4.660 -0.000 0.000 0.324 177 W C -1.864 174.668 176.519 0.022 0.000 1.012 177 W CA -0.212 57.155 57.345 0.037 0.000 1.279 177 W CB 1.663 31.146 29.460 0.038 0.000 1.289 177 W HN 0.816 nan 8.180 nan 0.000 0.418 178 Q N 6.285 126.050 119.800 -0.057 0.000 2.303 178 Q HA 0.339 4.679 4.340 -0.000 0.000 0.267 178 Q C -2.376 173.569 176.000 -0.092 0.000 1.011 178 Q CA -1.795 54.006 55.803 -0.004 0.000 0.740 178 Q CB 2.866 31.604 28.738 0.001 0.000 1.250 178 Q HN 0.173 nan 8.270 nan 0.000 0.458 179 P HA 0.144 nan 4.420 nan 0.000 0.268 179 P C -0.431 176.827 177.300 -0.070 0.000 1.204 179 P CA -0.101 62.964 63.100 -0.058 0.000 0.768 179 P CB 0.644 32.346 31.700 0.003 0.000 0.842 180 I N 3.031 123.530 120.570 -0.119 0.000 2.371 180 I HA 0.235 4.405 4.170 -0.000 0.000 0.282 180 I C 0.783 176.806 176.117 -0.157 0.000 1.031 180 I CA -1.004 60.210 61.300 -0.144 0.000 1.180 180 I CB 0.547 38.395 38.000 -0.254 0.000 1.336 180 I HN 0.340 nan 8.210 nan 0.000 0.467 181 K N 6.573 126.917 120.400 -0.094 0.000 2.484 181 K HA -0.021 4.299 4.320 -0.000 0.000 0.280 181 K C 0.306 176.843 176.600 -0.106 0.000 1.013 181 K CA 0.606 56.846 56.287 -0.079 0.000 1.029 181 K CB 0.455 32.931 32.500 -0.041 0.000 0.902 181 K HN 0.577 nan 8.250 nan 0.000 0.481 182 D N 0.234 120.559 120.400 -0.125 0.000 2.705 182 D HA -0.222 4.418 4.640 -0.000 0.000 0.187 182 D C -0.340 175.831 176.300 -0.215 0.000 1.015 182 D CA 1.616 55.529 54.000 -0.145 0.000 1.030 182 D CB -1.244 39.518 40.800 -0.064 0.000 1.100 182 D HN 0.677 nan 8.370 nan 0.000 0.439 183 A N 1.399 124.047 122.820 -0.285 0.000 2.488 183 A HA 0.251 4.571 4.320 -0.000 0.000 0.249 183 A C 0.251 177.613 177.584 -0.371 0.000 1.083 183 A CA 0.340 52.152 52.037 -0.375 0.000 0.768 183 A CB 0.211 18.708 19.000 -0.838 0.000 1.017 183 A HN 0.228 nan 8.150 nan 0.000 0.496 184 H N 1.495 120.460 119.070 -0.176 0.000 2.489 184 H HA 0.380 4.936 4.556 -0.000 0.000 0.322 184 H C 0.940 176.221 175.328 -0.078 0.000 1.091 184 H CA 0.443 56.413 56.048 -0.131 0.000 1.291 184 H CB 1.541 31.246 29.762 -0.096 0.000 1.436 184 H HN 0.863 nan 8.280 nan 0.000 0.480 185 G N 2.452 111.256 108.800 0.005 0.000 2.572 185 G HA2 0.313 4.273 3.960 -0.000 0.000 0.261 185 G HA3 0.313 4.273 3.960 -0.000 0.000 0.261 185 G C 0.647 175.559 174.900 0.020 0.000 1.197 185 G CA -0.745 44.375 45.100 0.034 0.000 0.870 185 G HN 0.668 nan 8.290 nan 0.000 0.548 186 M N 0.077 119.682 119.600 0.008 0.000 2.167 186 M HA 0.395 4.875 4.480 -0.000 0.000 0.300 186 M C -0.236 176.002 176.300 -0.104 0.000 1.171 186 M CA -0.361 54.897 55.300 -0.069 0.000 1.171 186 M CB 0.447 33.009 32.600 -0.064 0.000 1.396 186 M HN 0.104 nan 8.290 nan 0.000 0.466 187 V N 2.940 122.731 119.914 -0.206 0.000 2.508 187 V HA 0.231 4.351 4.120 -0.000 0.000 0.281 187 V C 0.395 176.472 176.094 -0.029 0.000 1.041 187 V CA -0.192 62.005 62.300 -0.172 0.000 1.016 187 V CB 0.295 31.917 31.823 -0.335 0.000 0.984 187 V HN 0.639 nan 8.190 nan 0.000 0.478 188 L N 4.375 125.587 121.223 -0.020 0.000 2.334 188 L HA 0.397 4.737 4.340 -0.000 0.000 0.272 188 L C 1.302 178.109 176.870 -0.105 0.000 1.020 188 L CA -0.718 54.075 54.840 -0.079 0.000 0.812 188 L CB 1.718 43.704 42.059 -0.121 0.000 1.264 188 L HN 0.550 nan 8.230 nan 0.000 0.439 189 L N 1.468 122.505 121.223 -0.310 0.000 2.021 189 L HA -0.280 4.060 4.340 -0.000 0.000 0.215 189 L C 2.193 178.966 176.870 -0.162 0.000 1.074 189 L CA 2.305 56.992 54.840 -0.255 0.000 0.760 189 L CB -0.212 41.597 42.059 -0.417 0.000 0.889 189 L HN 0.922 nan 8.230 nan 0.000 0.433 190 D N -1.264 118.863 120.400 -0.454 0.000 2.263 190 D HA -0.235 4.405 4.640 -0.000 0.000 0.208 190 D C 1.409 177.696 176.300 -0.021 0.000 0.971 190 D CA 1.117 55.036 54.000 -0.134 0.000 0.867 190 D CB -0.587 40.200 40.800 -0.023 0.000 0.929 190 D HN 0.368 nan 8.370 nan 0.000 0.492 191 D N -0.186 120.198 120.400 -0.027 0.000 2.264 191 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 191 D C 1.707 177.981 176.300 -0.043 0.000 0.966 191 D CA 0.424 54.399 54.000 -0.041 0.000 0.864 191 D CB -0.433 40.313 40.800 -0.090 0.000 0.933 191 D HN 0.260 nan 8.370 nan 0.000 0.499 192 F N 1.591 121.499 119.950 -0.070 0.000 2.102 192 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 192 F C 2.559 178.326 175.800 -0.055 0.000 1.105 192 F CA 1.054 59.027 58.000 -0.045 0.000 1.239 192 F CB -0.671 38.314 39.000 -0.025 0.000 0.991 192 F HN -0.064 nan 8.300 nan 0.000 0.474 193 A N -0.922 121.976 122.820 0.130 0.000 1.930 193 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 193 A C 2.331 179.917 177.584 0.003 0.000 1.176 193 A CA 1.564 53.633 52.037 0.054 0.000 0.632 193 A CB -0.977 18.054 19.000 0.052 0.000 0.819 193 A HN 0.293 nan 8.150 nan 0.000 0.445 194 S N -0.091 115.604 115.700 -0.008 0.000 2.359 194 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 194 S C 1.893 176.449 174.600 -0.075 0.000 1.035 194 S CA 1.506 59.684 58.200 -0.037 0.000 1.018 194 S CB -0.610 62.563 63.200 -0.045 0.000 0.876 194 S HN 0.323 nan 8.310 nan 0.000 0.448 195 V N 1.923 121.775 119.914 -0.104 0.000 2.282 195 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 195 V C 2.676 178.674 176.094 -0.161 0.000 1.057 195 V CA 2.296 64.505 62.300 -0.151 0.000 1.032 195 V CB -0.763 30.943 31.823 -0.195 0.000 0.645 195 V HN 0.454 nan 8.190 nan 0.000 0.447 196 Q N 0.655 120.381 119.800 -0.123 0.000 2.050 196 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 196 Q C 2.138 178.068 176.000 -0.116 0.000 0.980 196 Q CA 2.311 58.038 55.803 -0.126 0.000 0.840 196 Q CB -0.604 28.087 28.738 -0.079 0.000 0.898 196 Q HN 0.680 nan 8.270 nan 0.000 0.424 197 N N -0.065 118.587 118.700 -0.080 0.000 2.120 197 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 197 N C 1.801 177.262 175.510 -0.082 0.000 1.024 197 N CA 1.694 54.705 53.050 -0.064 0.000 0.852 197 N CB -0.134 38.330 38.487 -0.038 0.000 1.003 197 N HN 0.423 nan 8.380 nan 0.000 0.424 198 I N 0.411 120.920 120.570 -0.102 0.000 2.286 198 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 198 I C 2.101 178.123 176.117 -0.157 0.000 1.115 198 I CA 0.660 61.893 61.300 -0.111 0.000 1.392 198 I CB -0.127 37.803 38.000 -0.116 0.000 1.065 198 I HN 0.094 nan 8.210 nan 0.000 0.418 199 I N 1.048 121.470 120.570 -0.245 0.000 2.202 199 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 199 I C 2.049 178.045 176.117 -0.202 0.000 1.091 199 I CA 1.759 62.812 61.300 -0.410 0.000 1.368 199 I CB -0.657 36.931 38.000 -0.686 0.000 1.058 199 I HN 0.208 nan 8.210 nan 0.000 0.410 200 N N 0.321 118.945 118.700 -0.126 0.000 2.192 200 N HA -0.222 4.518 4.740 -0.000 0.000 0.188 200 N C 0.895 176.397 175.510 -0.014 0.000 1.013 200 N CA 1.487 54.511 53.050 -0.044 0.000 0.863 200 N CB -0.395 38.070 38.487 -0.037 0.000 0.990 200 N HN 0.513 nan 8.380 nan 0.000 0.430 201 N N -0.234 118.449 118.700 -0.028 0.000 2.314 201 N HA 0.013 4.753 4.740 -0.000 0.000 0.200 201 N C -0.529 174.984 175.510 0.004 0.000 1.135 201 N CA -0.257 52.787 53.050 -0.009 0.000 0.835 201 N CB 0.543 39.019 38.487 -0.019 0.000 0.989 201 N HN -0.016 nan 8.380 nan 0.000 0.478 202 S N 1.370 117.081 115.700 0.019 0.000 2.420 202 S HA 0.088 4.558 4.470 -0.000 0.000 0.313 202 S C 1.237 175.895 174.600 0.097 0.000 1.079 202 S CA -0.821 57.412 58.200 0.054 0.000 1.104 202 S CB 0.770 64.009 63.200 0.065 0.000 0.969 202 S HN 0.155 nan 8.310 nan 0.000 0.471 203 E N 5.504 125.740 120.200 0.059 0.000 2.072 203 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 203 E C 1.182 177.812 176.600 0.050 0.000 0.985 203 E CA 1.598 58.025 56.400 0.045 0.000 0.801 203 E CB -0.919 28.795 29.700 0.024 0.000 0.750 203 E HN 0.884 nan 8.360 nan 0.000 0.452 204 E N 0.605 120.838 120.200 0.056 0.000 2.058 204 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 204 E C 1.956 178.591 176.600 0.060 0.000 0.997 204 E CA 1.306 57.733 56.400 0.046 0.000 0.801 204 E CB -0.661 29.066 29.700 0.045 0.000 0.746 204 E HN 0.272 nan 8.360 nan 0.000 0.450 205 F N 1.466 121.400 119.950 -0.027 0.000 2.146 205 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 205 F C 2.311 178.094 175.800 -0.027 0.000 1.096 205 F CA 1.315 59.296 58.000 -0.031 0.000 1.275 205 F CB -0.342 38.635 39.000 -0.037 0.000 1.008 205 F HN 0.036 nan 8.300 nan 0.000 0.480 206 A N 0.179 123.074 122.820 0.125 0.000 1.972 206 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 206 A C 2.367 179.908 177.584 -0.071 0.000 1.169 206 A CA 1.662 53.719 52.037 0.034 0.000 0.635 206 A CB -1.451 17.585 19.000 0.062 0.000 0.810 206 A HN 0.481 nan 8.150 nan 0.000 0.446 207 A N -0.082 122.702 122.820 -0.061 0.000 1.873 207 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 207 A C 2.523 180.031 177.584 -0.125 0.000 1.186 207 A CA 1.987 53.981 52.037 -0.072 0.000 0.616 207 A CB -1.063 17.913 19.000 -0.040 0.000 0.823 207 A HN 1.050 nan 8.150 nan 0.000 0.442 208 A N -0.668 122.035 122.820 -0.194 0.000 1.902 208 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 208 A C 2.230 179.648 177.584 -0.276 0.000 1.181 208 A CA 1.797 53.693 52.037 -0.236 0.000 0.623 208 A CB -0.958 17.857 19.000 -0.309 0.000 0.818 208 A HN 0.392 nan 8.150 nan 0.000 0.443 209 V N 0.239 119.917 119.914 -0.393 0.000 2.407 209 V HA -0.254 3.865 4.120 -0.000 0.000 0.248 209 V C 2.598 178.601 176.094 -0.152 0.000 1.055 209 V CA 2.507 64.624 62.300 -0.304 0.000 1.049 209 V CB -0.547 31.080 31.823 -0.328 0.000 0.662 209 V HN 0.738 nan 8.190 nan 0.000 0.455 210 K N 1.169 121.497 120.400 -0.120 0.000 2.057 210 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 210 K C 2.143 178.707 176.600 -0.060 0.000 1.049 210 K CA 1.948 58.193 56.287 -0.069 0.000 0.931 210 K CB -0.427 32.041 32.500 -0.052 0.000 0.714 210 K HN 0.378 nan 8.250 nan 0.000 0.440 211 K N 0.450 120.807 120.400 -0.072 0.000 2.152 211 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 211 K C 1.306 177.876 176.600 -0.050 0.000 1.048 211 K CA 1.336 57.590 56.287 -0.056 0.000 0.933 211 K CB 0.004 32.465 32.500 -0.064 0.000 0.721 211 K HN 0.149 nan 8.250 nan 0.000 0.447 212 R N -0.788 119.673 120.500 -0.065 0.000 2.325 212 R HA 0.069 4.409 4.340 -0.000 0.000 0.214 212 R C 1.017 177.301 176.300 -0.027 0.000 0.961 212 R CA 0.478 56.550 56.100 -0.047 0.000 1.086 212 R CB 0.397 30.661 30.300 -0.061 0.000 1.037 212 R HN 0.540 nan 8.270 nan 0.000 0.493 213 G N 1.149 109.934 108.800 -0.025 0.000 2.308 213 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.221 213 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.221 213 G C 0.170 175.063 174.900 -0.011 0.000 1.032 213 G CA -0.504 44.590 45.100 -0.011 0.000 0.623 213 G HN 0.163 nan 8.290 nan 0.000 0.506 214 I N 2.832 123.391 120.570 -0.018 0.000 2.668 214 I HA 0.286 4.456 4.170 -0.000 0.000 0.285 214 I C 2.027 178.135 176.117 -0.015 0.000 1.168 214 I CA 1.464 62.756 61.300 -0.013 0.000 1.424 214 I CB 1.437 39.428 38.000 -0.015 0.000 1.377 214 I HN 0.412 nan 8.210 nan 0.000 0.560 215 T N 0.235 114.785 114.554 -0.008 0.000 3.044 215 T HA 0.067 4.417 4.350 -0.000 0.000 0.255 215 T C 0.586 175.284 174.700 -0.004 0.000 1.073 215 T CA 0.113 62.208 62.100 -0.007 0.000 1.125 215 T CB 0.057 68.922 68.868 -0.005 0.000 0.908 215 T HN 0.503 nan 8.240 nan 0.000 0.480 216 D N 0.972 121.371 120.400 -0.001 0.000 2.461 216 D HA 0.581 5.221 4.640 -0.000 0.000 0.240 216 D C 0.878 177.185 176.300 0.011 0.000 1.094 216 D CA -0.460 53.542 54.000 0.004 0.000 0.868 216 D CB 1.401 42.202 40.800 0.001 0.000 1.062 216 D HN 0.205 nan 8.370 nan 0.000 0.530 217 A N 4.073 126.904 122.820 0.019 0.000 2.216 217 A HA -0.113 4.207 4.320 -0.000 0.000 0.214 217 A C 1.670 179.278 177.584 0.040 0.000 1.160 217 A CA 0.863 52.925 52.037 0.041 0.000 0.725 217 A CB -0.151 18.886 19.000 0.061 0.000 0.784 217 A HN 0.555 nan 8.150 nan 0.000 0.472 218 K N -0.223 120.189 120.400 0.020 0.000 2.418 218 K HA 0.017 4.337 4.320 -0.000 0.000 0.195 218 K C 1.025 177.625 176.600 0.001 0.000 1.035 218 K CA 0.791 57.083 56.287 0.009 0.000 1.003 218 K CB 0.055 32.557 32.500 0.004 0.000 0.793 218 K HN 0.360 nan 8.250 nan 0.000 0.494 219 K N 1.027 121.430 120.400 0.005 0.000 2.417 219 K HA 0.110 4.430 4.320 -0.000 0.000 0.196 219 K C -0.253 176.351 176.600 0.006 0.000 1.023 219 K CA -0.071 56.216 56.287 -0.000 0.000 1.122 219 K CB 0.709 33.210 32.500 0.001 0.000 0.850 219 K HN -0.124 nan 8.250 nan 0.000 0.521 220 V N 3.048 122.974 119.914 0.019 0.000 2.455 220 V HA 0.099 4.219 4.120 -0.000 0.000 0.273 220 V C 0.009 176.087 176.094 -0.026 0.000 1.045 220 V CA -0.302 62.022 62.300 0.039 0.000 0.976 220 V CB 0.891 32.786 31.823 0.120 0.000 0.993 220 V HN 0.134 nan 8.190 nan 0.000 0.475 221 I N 5.158 125.690 120.570 -0.063 0.000 2.339 221 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 221 I C 0.744 176.770 176.117 -0.152 0.000 0.994 221 I CA -0.109 61.054 61.300 -0.228 0.000 1.191 221 I CB 1.502 39.135 38.000 -0.613 0.000 1.343 221 I HN 0.712 nan 8.210 nan 0.000 0.458 222 T N 2.058 116.519 114.554 -0.155 0.000 2.874 222 T HA 0.548 4.898 4.350 -0.000 0.000 0.281 222 T C 0.170 174.819 174.700 -0.085 0.000 0.994 222 T CA -0.479 61.554 62.100 -0.111 0.000 1.015 222 T CB 1.812 70.582 68.868 -0.164 0.000 1.028 222 T HN 0.543 nan 8.240 nan 0.000 0.523 223 T N 3.203 117.734 114.554 -0.039 0.000 3.011 223 T HA 0.532 4.882 4.350 -0.000 0.000 0.303 223 T C -2.966 171.681 174.700 -0.089 0.000 0.997 223 T CA -1.120 60.984 62.100 0.006 0.000 1.007 223 T CB 1.817 70.793 68.868 0.180 0.000 1.017 223 T HN 0.609 nan 8.240 nan 0.000 0.443 224 P HA 0.560 nan 4.420 nan 0.000 0.297 224 P C -1.247 175.982 177.300 -0.118 0.000 1.319 224 P CA -0.609 62.337 63.100 -0.257 0.000 0.810 224 P CB 1.020 32.401 31.700 -0.531 0.000 0.947 225 L N 2.296 123.510 121.223 -0.014 0.000 2.370 225 L HA 0.537 4.877 4.340 -0.000 0.000 0.266 225 L C 0.949 177.916 176.870 0.161 0.000 1.002 225 L CA -0.964 53.956 54.840 0.135 0.000 0.818 225 L CB 1.939 44.170 42.059 0.288 0.000 1.325 225 L HN 0.295 nan 8.230 nan 0.000 0.418 226 T N -1.635 113.068 114.554 0.250 0.000 2.900 226 T HA 0.194 4.544 4.350 -0.000 0.000 0.307 226 T C 0.889 175.720 174.700 0.218 0.000 1.065 226 T CA -0.415 61.770 62.100 0.143 0.000 1.105 226 T CB 1.392 70.322 68.868 0.104 0.000 0.979 226 T HN 0.557 nan 8.240 nan 0.000 0.544 227 V N -1.160 118.806 119.914 0.086 0.000 3.621 227 V HA 0.570 4.690 4.120 -0.000 0.000 0.285 227 V C 1.230 177.453 176.094 0.214 0.000 1.346 227 V CA 0.329 62.680 62.300 0.086 0.000 1.104 227 V CB -1.497 30.262 31.823 -0.106 0.000 0.913 227 V HN 1.619 nan 8.190 nan 0.000 0.432 228 G N 0.515 109.402 108.800 0.145 0.000 2.601 228 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 228 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 228 G C -0.730 174.205 174.900 0.059 0.000 1.294 228 G CA 0.492 45.644 45.100 0.087 0.000 0.912 228 G HN 1.422 nan 8.290 nan 0.000 0.574 229 Y N -0.875 119.240 120.300 -0.308 0.000 2.441 229 Y HA 0.653 5.203 4.550 -0.000 0.000 0.334 229 Y C -0.634 174.765 175.900 -0.834 0.000 1.061 229 Y CA -1.604 56.252 58.100 -0.406 0.000 1.032 229 Y CB 1.339 39.561 38.460 -0.396 0.000 1.266 229 Y HN 0.542 nan 8.280 nan 0.000 0.441 230 F N 3.937 123.285 119.950 -1.005 0.000 2.810 230 F HA 0.219 4.746 4.527 -0.000 0.000 0.353 230 F C 0.455 175.578 175.800 -1.128 0.000 1.227 230 F CA -0.655 56.793 58.000 -0.920 0.000 1.210 230 F CB 0.407 39.249 39.000 -0.263 0.000 1.039 230 F HN 0.598 nan 8.300 nan 0.000 0.509 231 D N 1.156 120.396 120.400 -1.934 0.000 2.737 231 D HA -0.214 4.426 4.640 -0.000 0.000 0.233 231 D C 1.458 177.506 176.300 -0.419 0.000 1.155 231 D CA 1.649 54.986 54.000 -1.105 0.000 0.667 231 D CB -0.858 39.626 40.800 -0.527 0.000 1.060 231 D HN 0.787 nan 8.370 nan 0.000 0.427 232 G N -0.572 108.019 108.800 -0.349 0.000 2.225 232 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.254 232 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.254 232 G C 1.169 176.015 174.900 -0.089 0.000 0.988 232 G CA 0.586 45.607 45.100 -0.131 0.000 0.625 232 G HN 0.449 nan 8.290 nan 0.000 0.527 233 K N 1.111 121.460 120.400 -0.085 0.000 2.442 233 K HA -0.028 4.292 4.320 -0.000 0.000 0.198 233 K C 1.622 178.167 176.600 -0.092 0.000 1.044 233 K CA 1.564 57.815 56.287 -0.059 0.000 0.948 233 K CB -0.161 32.321 32.500 -0.031 0.000 0.762 233 K HN 0.731 nan 8.250 nan 0.000 0.472 234 D N -0.644 119.723 120.400 -0.055 0.000 2.349 234 D HA 0.071 4.711 4.640 -0.000 0.000 0.214 234 D C 1.033 177.317 176.300 -0.026 0.000 1.063 234 D CA 0.476 54.450 54.000 -0.043 0.000 0.847 234 D CB -0.030 40.796 40.800 0.042 0.000 0.933 234 D HN 0.164 nan 8.370 nan 0.000 0.513 235 G N 0.423 109.203 108.800 -0.033 0.000 2.147 235 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 235 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 235 G C -0.154 174.732 174.900 -0.023 0.000 1.005 235 G CA 0.278 45.361 45.100 -0.028 0.000 0.713 235 G HN 0.405 nan 8.290 nan 0.000 0.515 236 L N 0.081 121.294 121.223 -0.018 0.000 2.317 236 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 236 L C 0.921 177.793 176.870 0.003 0.000 1.024 236 L CA -1.050 53.782 54.840 -0.014 0.000 0.810 236 L CB 1.631 43.679 42.059 -0.019 0.000 1.240 236 L HN 0.172 nan 8.230 nan 0.000 0.427 237 K N 2.110 122.513 120.400 0.005 0.000 2.412 237 K HA -0.049 4.271 4.320 -0.000 0.000 0.281 237 K C 0.636 177.264 176.600 0.047 0.000 1.027 237 K CA -0.152 56.148 56.287 0.021 0.000 0.989 237 K CB 1.056 33.563 32.500 0.012 0.000 0.935 237 K HN 0.531 nan 8.250 nan 0.000 0.475 238 Q N 2.657 122.499 119.800 0.071 0.000 2.297 238 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 238 Q C 1.177 177.272 176.000 0.157 0.000 0.962 238 Q CA 1.837 57.706 55.803 0.111 0.000 0.879 238 Q CB 0.074 28.879 28.738 0.113 0.000 0.947 238 Q HN 0.813 nan 8.270 nan 0.000 0.462 239 D N -0.907 119.543 120.400 0.083 0.000 2.305 239 D HA 0.018 4.658 4.640 -0.000 0.000 0.206 239 D C -0.157 176.154 176.300 0.019 0.000 0.974 239 D CA 0.481 54.498 54.000 0.029 0.000 0.871 239 D CB 0.111 40.909 40.800 -0.004 0.000 0.947 239 D HN 0.215 nan 8.370 nan 0.000 0.516 240 A N 1.078 123.930 122.820 0.053 0.000 2.388 240 A HA 0.310 4.630 4.320 -0.000 0.000 0.257 240 A C 0.379 178.012 177.584 0.081 0.000 1.095 240 A CA -0.442 51.609 52.037 0.024 0.000 0.791 240 A CB 0.296 19.300 19.000 0.007 0.000 1.029 240 A HN 0.245 nan 8.150 nan 0.000 0.489 241 R N 2.702 123.211 120.500 0.014 0.000 2.272 241 R HA 0.453 4.793 4.340 -0.000 0.000 0.334 241 R C -1.102 175.185 176.300 -0.021 0.000 1.117 241 R CA 0.020 56.138 56.100 0.030 0.000 0.966 241 R CB -0.325 29.951 30.300 -0.040 0.000 1.049 241 R HN 0.697 nan 8.270 nan 0.000 0.477 242 L N 4.998 126.196 121.223 -0.041 0.000 2.303 242 L HA 0.647 4.987 4.340 -0.000 0.000 0.266 242 L C -0.515 176.291 176.870 -0.107 0.000 1.011 242 L CA -1.251 53.540 54.840 -0.081 0.000 0.818 242 L CB 1.799 43.806 42.059 -0.088 0.000 1.326 242 L HN 0.490 nan 8.230 nan 0.000 0.435 243 L N 1.011 122.159 121.223 -0.126 0.000 2.472 243 L HA 0.493 4.833 4.340 -0.000 0.000 0.260 243 L C -0.831 175.938 176.870 -0.168 0.000 0.963 243 L CA -0.723 54.034 54.840 -0.138 0.000 0.829 243 L CB 2.779 44.746 42.059 -0.152 0.000 1.348 243 L HN 0.524 nan 8.230 nan 0.000 0.408 244 K N 1.254 121.542 120.400 -0.187 0.000 2.118 244 K HA 0.746 5.066 4.320 -0.000 0.000 0.254 244 K C -1.287 175.226 176.600 -0.145 0.000 0.961 244 K CA -0.755 55.375 56.287 -0.261 0.000 0.876 244 K CB 2.556 34.695 32.500 -0.602 0.000 1.077 244 K HN 0.212 nan 8.250 nan 0.000 0.440 245 V N 4.061 123.897 119.914 -0.130 0.000 2.483 245 V HA 0.348 4.468 4.120 -0.000 0.000 0.297 245 V C -0.466 175.599 176.094 -0.048 0.000 1.027 245 V CA -0.905 61.336 62.300 -0.098 0.000 0.855 245 V CB 1.440 33.165 31.823 -0.162 0.000 0.995 245 V HN 0.616 nan 8.190 nan 0.000 0.424 246 I N 3.264 123.812 120.570 -0.038 0.000 2.460 246 I HA 0.604 4.774 4.170 -0.000 0.000 0.298 246 I C 0.348 176.380 176.117 -0.141 0.000 0.989 246 I CA 0.194 61.432 61.300 -0.104 0.000 1.173 246 I CB 2.121 40.042 38.000 -0.133 0.000 1.338 246 I HN 0.607 nan 8.210 nan 0.000 0.456 247 S N 4.902 120.452 115.700 -0.250 0.000 2.599 247 S HA 0.779 5.249 4.470 -0.000 0.000 0.294 247 S C -1.248 173.041 174.600 -0.518 0.000 1.094 247 S CA -0.499 57.576 58.200 -0.208 0.000 0.931 247 S CB 2.198 65.431 63.200 0.055 0.000 1.093 247 S HN 0.368 nan 8.310 nan 0.000 0.488 248 Y N 0.175 120.486 120.300 0.019 0.000 2.581 248 Y HA 0.629 5.179 4.550 -0.000 0.000 0.345 248 Y C -0.761 175.183 175.900 0.073 0.000 1.036 248 Y CA -1.060 57.093 58.100 0.087 0.000 1.042 248 Y CB 1.074 39.614 38.460 0.132 0.000 1.289 248 Y HN 0.466 nan 8.280 nan 0.000 0.471 249 L N 2.462 123.870 121.223 0.308 0.000 2.282 249 L HA 0.407 4.747 4.340 -0.000 0.000 0.288 249 L C -0.621 176.341 176.870 0.153 0.000 1.033 249 L CA -0.373 54.569 54.840 0.170 0.000 0.807 249 L CB 0.727 42.855 42.059 0.115 0.000 1.209 249 L HN 0.579 nan 8.230 nan 0.000 0.423 250 D N 3.378 123.823 120.400 0.075 0.000 2.325 250 D HA 0.131 4.771 4.640 -0.000 0.000 0.251 250 D C 0.578 176.859 176.300 -0.032 0.000 1.196 250 D CA -0.033 54.005 54.000 0.062 0.000 0.866 250 D CB 1.276 42.094 40.800 0.030 0.000 1.101 250 D HN 0.386 nan 8.370 nan 0.000 0.476 251 V N 1.553 121.395 119.914 -0.120 0.000 3.319 251 V HA 0.461 4.581 4.120 -0.000 0.000 0.317 251 V C 1.212 177.261 176.094 -0.075 0.000 1.411 251 V CA 0.336 62.538 62.300 -0.163 0.000 1.112 251 V CB -0.087 31.532 31.823 -0.340 0.000 1.031 251 V HN 0.718 nan 8.190 nan 0.000 0.448 252 G N 2.147 110.932 108.800 -0.024 0.000 2.143 252 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.249 252 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.249 252 G C 0.257 175.152 174.900 -0.009 0.000 0.981 252 G CA 0.544 45.638 45.100 -0.010 0.000 0.665 252 G HN 0.838 nan 8.290 nan 0.000 0.528 253 D N -0.226 120.182 120.400 0.013 0.000 2.339 253 D HA 0.374 5.014 4.640 -0.000 0.000 0.217 253 D C 1.794 178.052 176.300 -0.072 0.000 1.050 253 D CA 0.477 54.477 54.000 -0.000 0.000 0.856 253 D CB -0.589 40.259 40.800 0.081 0.000 0.922 253 D HN 1.530 nan 8.370 nan 0.000 0.518 254 G N 0.767 109.540 108.800 -0.044 0.000 2.153 254 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.252 254 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.252 254 G C 0.150 174.996 174.900 -0.089 0.000 0.994 254 G CA 0.241 45.287 45.100 -0.090 0.000 0.698 254 G HN 0.570 nan 8.290 nan 0.000 0.521 255 N N -0.239 118.477 118.700 0.027 0.000 2.726 255 N HA 0.335 5.075 4.740 -0.000 0.000 0.253 255 N C 1.030 176.606 175.510 0.109 0.000 1.530 255 N CA -0.395 52.710 53.050 0.092 0.000 0.772 255 N CB -0.071 38.480 38.487 0.107 0.000 1.220 255 N HN 0.347 nan 8.380 nan 0.000 0.508 256 Y N -0.401 119.929 120.300 0.049 0.000 2.315 256 Y HA -0.023 4.527 4.550 -0.000 0.000 0.288 256 Y C 1.257 177.061 175.900 -0.158 0.000 1.154 256 Y CA 0.732 58.837 58.100 0.009 0.000 1.229 256 Y CB -0.751 37.600 38.460 -0.182 0.000 0.980 256 Y HN 0.278 nan 8.280 nan 0.000 0.540 257 W N 1.255 122.260 121.300 -0.492 0.000 2.341 257 W HA -0.124 4.536 4.660 -0.000 0.000 0.283 257 W C 2.383 178.949 176.519 0.079 0.000 1.215 257 W CA 1.565 58.667 57.345 -0.405 0.000 1.211 257 W CB -0.390 28.868 29.460 -0.336 0.000 1.131 257 W HN 0.202 nan 8.180 nan 0.000 0.552 258 A N -0.789 122.129 122.820 0.164 0.000 2.259 258 A HA 0.013 4.333 4.320 -0.000 0.000 0.208 258 A C 0.190 177.560 177.584 -0.357 0.000 1.201 258 A CA 0.483 52.574 52.037 0.090 0.000 0.824 258 A CB -0.692 18.210 19.000 -0.163 0.000 0.838 258 A HN 0.327 nan 8.150 nan 0.000 0.485 259 H N 0.258 119.594 119.070 0.444 0.000 2.439 259 H HA 0.229 4.785 4.556 -0.000 0.000 0.230 259 H C -2.977 172.576 175.328 0.375 0.000 1.420 259 H CA -2.107 54.152 56.048 0.351 0.000 1.305 259 H CB -0.058 29.865 29.762 0.269 0.000 1.667 259 H HN 0.305 nan 8.280 nan 0.000 0.515 260 P HA 0.100 nan 4.420 nan 0.000 0.269 260 P C 0.393 177.728 177.300 0.059 0.000 1.209 260 P CA -0.073 63.116 63.100 0.148 0.000 0.776 260 P CB 1.611 33.422 31.700 0.185 0.000 0.876 261 I N 1.413 121.932 120.570 -0.085 0.000 2.503 261 I HA 0.193 4.363 4.170 -0.000 0.000 0.277 261 I C 0.846 176.936 176.117 -0.045 0.000 1.078 261 I CA -0.692 60.586 61.300 -0.036 0.000 1.184 261 I CB 0.490 38.458 38.000 -0.053 0.000 1.353 261 I HN 0.249 nan 8.210 nan 0.000 0.490 262 E N 4.215 124.428 120.200 0.021 0.000 2.418 262 E HA 0.046 4.396 4.350 -0.000 0.000 0.261 262 E C 0.236 176.866 176.600 0.049 0.000 1.070 262 E CA 0.599 57.038 56.400 0.065 0.000 0.931 262 E CB 0.259 30.033 29.700 0.125 0.000 0.954 262 E HN 0.498 nan 8.360 nan 0.000 0.439 263 N N 0.321 119.070 118.700 0.082 0.000 2.740 263 N HA -0.253 4.487 4.740 -0.000 0.000 0.248 263 N C -1.325 174.200 175.510 0.025 0.000 1.062 263 N CA 0.269 53.360 53.050 0.069 0.000 0.704 263 N CB -0.897 37.630 38.487 0.068 0.000 0.968 263 N HN 0.189 nan 8.380 nan 0.000 0.547 264 L N 0.365 121.591 121.223 0.005 0.000 2.446 264 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 264 L C -1.255 175.625 176.870 0.018 0.000 0.975 264 L CA -0.816 54.018 54.840 -0.011 0.000 0.848 264 L CB 1.974 43.997 42.059 -0.061 0.000 1.225 264 L HN -0.121 nan 8.230 nan 0.000 0.410 265 V N 4.019 123.953 119.914 0.033 0.000 2.577 265 V HA 0.934 5.054 4.120 -0.000 0.000 0.303 265 V C 0.003 176.112 176.094 0.026 0.000 1.042 265 V CA -0.346 61.964 62.300 0.017 0.000 0.872 265 V CB 1.465 33.277 31.823 -0.018 0.000 0.998 265 V HN 0.926 nan 8.190 nan 0.000 0.423 266 A N 3.897 126.730 122.820 0.022 0.000 2.340 266 A HA 0.914 5.234 4.320 -0.000 0.000 0.331 266 A C -0.879 176.646 177.584 -0.098 0.000 1.140 266 A CA -0.664 51.378 52.037 0.008 0.000 0.801 266 A CB 1.840 20.838 19.000 -0.003 0.000 1.234 266 A HN 0.699 nan 8.150 nan 0.000 0.469 267 V N 2.611 122.463 119.914 -0.103 0.000 2.357 267 V HA 0.401 4.521 4.120 -0.000 0.000 0.284 267 V C -0.434 175.592 176.094 -0.113 0.000 1.018 267 V CA -0.375 61.844 62.300 -0.135 0.000 0.841 267 V CB 1.412 33.162 31.823 -0.122 0.000 0.991 267 V HN 0.660 nan 8.190 nan 0.000 0.437 268 V N 4.029 123.867 119.914 -0.127 0.000 2.483 268 V HA 0.427 4.546 4.120 -0.000 0.000 0.295 268 V C -0.215 175.821 176.094 -0.096 0.000 1.035 268 V CA -0.594 61.638 62.300 -0.114 0.000 0.896 268 V CB 2.002 33.744 31.823 -0.135 0.000 0.986 268 V HN 0.869 nan 8.190 nan 0.000 0.447 269 D N 4.052 124.406 120.400 -0.077 0.000 2.412 269 D HA 0.282 4.922 4.640 -0.000 0.000 0.224 269 D C 0.822 177.085 176.300 -0.063 0.000 1.093 269 D CA -0.288 53.674 54.000 -0.063 0.000 0.850 269 D CB 1.565 42.336 40.800 -0.049 0.000 1.046 269 D HN 0.436 nan 8.370 nan 0.000 0.507 270 L N 2.721 123.904 121.223 -0.066 0.000 2.456 270 L HA -0.042 4.298 4.340 -0.000 0.000 0.224 270 L C 2.035 178.874 176.870 -0.051 0.000 1.148 270 L CA 0.656 55.458 54.840 -0.063 0.000 0.825 270 L CB 0.010 42.028 42.059 -0.069 0.000 0.937 270 L HN 0.409 nan 8.230 nan 0.000 0.450 271 E N -0.325 119.845 120.200 -0.049 0.000 2.216 271 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 271 E C 1.958 178.540 176.600 -0.030 0.000 0.973 271 E CA 0.443 56.819 56.400 -0.040 0.000 0.851 271 E CB 0.178 29.850 29.700 -0.046 0.000 0.804 271 E HN 0.590 nan 8.360 nan 0.000 0.477 272 Q N 0.622 120.402 119.800 -0.033 0.000 2.331 272 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 272 Q C -0.146 175.836 176.000 -0.030 0.000 0.944 272 Q CA 0.329 56.116 55.803 -0.027 0.000 0.892 272 Q CB 0.107 28.828 28.738 -0.028 0.000 0.983 272 Q HN 0.098 nan 8.270 nan 0.000 0.482 273 K N 1.249 121.627 120.400 -0.038 0.000 3.162 273 K HA -0.189 4.131 4.320 -0.000 0.000 0.268 273 K C -0.709 175.864 176.600 -0.044 0.000 1.062 273 K CA 0.790 57.053 56.287 -0.041 0.000 0.769 273 K CB -1.764 30.718 32.500 -0.029 0.000 1.274 273 K HN 0.332 nan 8.250 nan 0.000 0.478 274 K N -0.949 119.421 120.400 -0.050 0.000 2.579 274 K HA 0.465 4.785 4.320 -0.000 0.000 0.284 274 K C -0.754 175.811 176.600 -0.058 0.000 0.990 274 K CA -1.138 55.120 56.287 -0.048 0.000 0.880 274 K CB 1.391 33.872 32.500 -0.033 0.000 1.488 274 K HN 0.014 nan 8.250 nan 0.000 0.425 275 I N 2.562 123.098 120.570 -0.056 0.000 2.496 275 I HA 0.006 4.176 4.170 -0.000 0.000 0.285 275 I C 1.131 177.226 176.117 -0.037 0.000 1.080 275 I CA -0.498 60.768 61.300 -0.056 0.000 1.404 275 I CB 1.477 39.456 38.000 -0.034 0.000 1.403 275 I HN 0.609 nan 8.210 nan 0.000 0.539 276 V N 2.695 122.584 119.914 -0.042 0.000 3.427 276 V HA 0.381 4.501 4.120 -0.000 0.000 0.305 276 V C 0.203 176.280 176.094 -0.029 0.000 1.412 276 V CA 0.078 62.358 62.300 -0.033 0.000 1.086 276 V CB -0.339 31.462 31.823 -0.037 0.000 0.964 276 V HN 0.870 nan 8.190 nan 0.000 0.439 277 K N 0.446 120.830 120.400 -0.027 0.000 2.712 277 K HA 0.503 4.823 4.320 -0.000 0.000 0.274 277 K C -2.305 174.289 176.600 -0.011 0.000 1.025 277 K CA -0.635 55.640 56.287 -0.021 0.000 0.904 277 K CB 2.162 34.640 32.500 -0.036 0.000 1.392 277 K HN 0.229 nan 8.250 nan 0.000 0.392 278 I N 3.318 123.891 120.570 0.005 0.000 2.466 278 I HA 0.278 4.448 4.170 -0.000 0.000 0.289 278 I C -0.704 175.418 176.117 0.010 0.000 1.026 278 I CA -0.730 60.585 61.300 0.026 0.000 1.078 278 I CB 2.146 40.174 38.000 0.047 0.000 1.249 278 I HN 0.547 nan 8.210 nan 0.000 0.429 279 E N 6.309 126.515 120.200 0.011 0.000 2.166 279 E HA 0.471 4.821 4.350 -0.000 0.000 0.275 279 E C -1.133 175.475 176.600 0.014 0.000 0.941 279 E CA -0.680 55.728 56.400 0.014 0.000 0.784 279 E CB 2.009 31.724 29.700 0.027 0.000 1.115 279 E HN 0.491 nan 8.360 nan 0.000 0.399 280 E N 1.338 121.543 120.200 0.009 0.000 2.293 280 E HA 0.577 4.927 4.350 -0.000 0.000 0.270 280 E C -0.435 176.173 176.600 0.013 0.000 0.879 280 E CA -0.867 55.533 56.400 -0.001 0.000 0.756 280 E CB 2.295 31.982 29.700 -0.023 0.000 1.208 280 E HN 0.549 nan 8.360 nan 0.000 0.428 281 G N 1.692 110.504 108.800 0.019 0.000 3.176 281 G HA2 0.558 4.518 3.960 -0.000 0.000 0.272 281 G HA3 0.558 4.518 3.960 -0.000 0.000 0.272 281 G C -2.706 172.206 174.900 0.021 0.000 1.349 281 G CA -1.457 43.661 45.100 0.029 0.000 0.953 281 G HN 0.243 nan 8.290 nan 0.000 0.559 282 P HA 0.191 nan 4.420 nan 0.000 0.264 282 P C -0.265 177.046 177.300 0.019 0.000 1.179 282 P CA -0.225 62.887 63.100 0.021 0.000 0.763 282 P CB 0.756 32.472 31.700 0.027 0.000 0.806 283 V N 4.414 124.333 119.914 0.010 0.000 2.461 283 V HA 0.170 4.290 4.120 -0.000 0.000 0.275 283 V C 0.259 176.362 176.094 0.016 0.000 1.047 283 V CA -0.098 62.205 62.300 0.005 0.000 0.955 283 V CB 1.391 33.212 31.823 -0.004 0.000 0.988 283 V HN 0.211 nan 8.190 nan 0.000 0.471 284 V N 7.723 127.651 119.914 0.023 0.000 2.444 284 V HA 0.393 4.513 4.120 -0.000 0.000 0.294 284 V C -2.239 173.877 176.094 0.036 0.000 1.022 284 V CA -1.886 60.434 62.300 0.033 0.000 0.850 284 V CB 1.904 33.755 31.823 0.047 0.000 0.992 284 V HN 0.764 nan 8.190 nan 0.000 0.426 285 P HA 0.091 nan 4.420 nan 0.000 0.265 285 P C -0.240 177.100 177.300 0.067 0.000 1.193 285 P CA 0.050 63.176 63.100 0.044 0.000 0.765 285 P CB 0.444 32.169 31.700 0.041 0.000 0.823 286 V N 6.203 126.163 119.914 0.076 0.000 2.585 286 V HA 0.071 4.191 4.120 -0.000 0.000 0.296 286 V C -1.823 174.365 176.094 0.156 0.000 1.035 286 V CA -1.108 61.263 62.300 0.118 0.000 1.084 286 V CB -0.048 31.845 31.823 0.118 0.000 0.953 286 V HN 0.568 nan 8.190 nan 0.000 0.483 287 P HA 0.148 nan 4.420 nan 0.000 0.266 287 P C 0.434 177.942 177.300 0.347 0.000 1.215 287 P CA 0.130 63.371 63.100 0.234 0.000 0.763 287 P CB 0.422 32.250 31.700 0.214 0.000 0.806 288 M N 0.095 119.850 119.600 0.259 0.000 2.514 288 M HA 0.050 4.530 4.480 -0.000 0.000 0.258 288 M C 0.416 176.858 176.300 0.238 0.000 1.159 288 M CA 0.659 56.087 55.300 0.214 0.000 1.116 288 M CB -0.911 31.748 32.600 0.098 0.000 1.333 288 M HN 0.168 nan 8.290 nan 0.000 0.487 289 T N 2.701 117.413 114.554 0.264 0.000 2.905 289 T HA 0.226 4.576 4.350 -0.000 0.000 0.299 289 T C 0.478 175.371 174.700 0.321 0.000 1.024 289 T CA -0.162 62.083 62.100 0.241 0.000 1.151 289 T CB 0.387 69.392 68.868 0.228 0.000 0.987 289 T HN 0.357 nan 8.240 nan 0.000 0.535 290 A N 4.400 127.348 122.820 0.212 0.000 2.520 290 A HA 0.342 4.662 4.320 -0.000 0.000 0.245 290 A C 0.728 178.404 177.584 0.153 0.000 1.072 290 A CA -0.160 51.990 52.037 0.190 0.000 0.761 290 A CB 0.147 19.200 19.000 0.089 0.000 1.004 290 A HN 0.668 nan 8.150 nan 0.000 0.499 291 R N 2.884 123.463 120.500 0.133 0.000 2.655 291 R HA 0.271 4.611 4.340 -0.000 0.000 0.261 291 R C -3.100 173.153 176.300 -0.078 0.000 1.624 291 R CA -1.706 54.395 56.100 0.002 0.000 1.655 291 R CB 0.778 31.040 30.300 -0.064 0.000 1.356 291 R HN 0.518 nan 8.270 nan 0.000 0.684 292 P HA 0.100 nan 4.420 nan 0.000 0.272 292 P C 0.194 177.374 177.300 -0.201 0.000 1.223 292 P CA -0.118 62.849 63.100 -0.222 0.000 0.784 292 P CB 0.335 31.919 31.700 -0.192 0.000 0.923 293 F N -0.554 119.322 119.950 -0.123 0.000 2.746 293 F HA 0.257 4.784 4.527 -0.000 0.000 0.320 293 F C 0.917 176.661 175.800 -0.094 0.000 1.097 293 F CA -0.418 57.497 58.000 -0.142 0.000 1.195 293 F CB -0.773 38.115 39.000 -0.187 0.000 1.056 293 F HN 0.096 nan 8.300 nan 0.000 0.562 294 D N 0.184 120.388 120.400 -0.327 0.000 2.328 294 D HA 0.205 4.845 4.640 -0.000 0.000 0.226 294 D C 1.860 178.117 176.300 -0.072 0.000 1.066 294 D CA 0.531 54.447 54.000 -0.139 0.000 0.861 294 D CB -0.099 40.546 40.800 -0.259 0.000 0.912 294 D HN 0.471 nan 8.370 nan 0.000 0.521 295 G N 1.778 110.540 108.800 -0.063 0.000 2.159 295 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.256 295 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.256 295 G C 1.216 176.088 174.900 -0.047 0.000 0.977 295 G CA 0.489 45.565 45.100 -0.039 0.000 0.652 295 G HN 0.591 nan 8.290 nan 0.000 0.531 296 R N 0.559 121.015 120.500 -0.073 0.000 2.127 296 R HA -0.088 4.252 4.340 -0.000 0.000 0.238 296 R C 1.469 177.746 176.300 -0.040 0.000 1.134 296 R CA 2.007 58.072 56.100 -0.058 0.000 0.975 296 R CB -0.455 29.800 30.300 -0.076 0.000 0.865 296 R HN 0.446 nan 8.270 nan 0.000 0.447 297 D N -0.161 120.216 120.400 -0.039 0.000 2.368 297 D HA 0.095 4.735 4.640 -0.000 0.000 0.218 297 D C 0.012 176.303 176.300 -0.014 0.000 1.112 297 D CA -0.241 53.746 54.000 -0.022 0.000 0.834 297 D CB 0.232 41.020 40.800 -0.020 0.000 0.953 297 D HN 0.067 nan 8.370 nan 0.000 0.505 298 R N -0.428 120.062 120.500 -0.016 0.000 2.930 298 R HA 0.719 5.059 4.340 -0.000 0.000 0.257 298 R C -0.971 175.326 176.300 -0.006 0.000 1.107 298 R CA -1.053 55.042 56.100 -0.008 0.000 0.999 298 R CB 2.112 32.407 30.300 -0.008 0.000 1.209 298 R HN -0.134 nan 8.270 nan 0.000 0.486 299 V N 0.864 120.777 119.914 -0.001 0.000 2.532 299 V HA 0.389 4.509 4.120 -0.000 0.000 0.294 299 V C -0.232 175.863 176.094 0.002 0.000 1.036 299 V CA -1.064 61.236 62.300 0.000 0.000 0.876 299 V CB 1.602 33.426 31.823 0.002 0.000 1.012 299 V HN 0.928 nan 8.190 nan 0.000 0.432 300 A N 6.460 129.281 122.820 0.002 0.000 2.407 300 A HA 0.760 5.080 4.320 -0.000 0.000 0.248 300 A C -2.127 175.460 177.584 0.004 0.000 1.082 300 A CA -0.843 51.196 52.037 0.003 0.000 0.785 300 A CB -0.183 18.819 19.000 0.002 0.000 1.020 300 A HN 0.696 nan 8.150 nan 0.000 0.489 301 P HA 0.434 nan 4.420 nan 0.000 0.276 301 P C -0.192 177.111 177.300 0.005 0.000 1.230 301 P CA -0.073 63.030 63.100 0.005 0.000 0.776 301 P CB 0.894 32.597 31.700 0.006 0.000 0.888 302 A N 2.529 125.353 122.820 0.005 0.000 2.445 302 A HA 0.457 4.777 4.320 -0.000 0.000 0.242 302 A C -0.151 177.436 177.584 0.005 0.000 1.075 302 A CA -0.012 52.028 52.037 0.005 0.000 0.777 302 A CB 0.143 19.146 19.000 0.006 0.000 1.013 302 A HN 0.410 nan 8.150 nan 0.000 0.493 303 V N 2.181 122.098 119.914 0.005 0.000 2.925 303 V HA 0.350 4.470 4.120 -0.000 0.000 0.311 303 V C -0.465 175.631 176.094 0.004 0.000 1.104 303 V CA -1.032 61.271 62.300 0.004 0.000 0.954 303 V CB 2.255 34.080 31.823 0.004 0.000 1.022 303 V HN 0.925 nan 8.190 nan 0.000 0.427 304 K N 4.120 124.521 120.400 0.003 0.000 2.237 304 K HA 0.467 4.787 4.320 -0.000 0.000 0.270 304 K C -2.177 174.426 176.600 0.004 0.000 1.015 304 K CA -1.750 54.538 56.287 0.002 0.000 0.949 304 K CB 0.262 32.761 32.500 -0.001 0.000 0.976 304 K HN 0.475 nan 8.250 nan 0.000 0.472 305 P HA 0.208 nan 4.420 nan 0.000 0.274 305 P C -0.858 176.447 177.300 0.008 0.000 1.231 305 P CA -0.383 62.723 63.100 0.010 0.000 0.790 305 P CB 0.813 32.522 31.700 0.015 0.000 0.951 306 M N 1.938 121.544 119.600 0.010 0.000 2.263 306 M HA 0.286 4.766 4.480 -0.000 0.000 0.295 306 M C -1.510 174.801 176.300 0.017 0.000 1.028 306 M CA -0.333 54.973 55.300 0.009 0.000 0.921 306 M CB 2.121 34.723 32.600 0.004 0.000 1.601 306 M HN 0.339 nan 8.290 nan 0.000 0.440 307 Q N 4.701 124.516 119.800 0.025 0.000 2.397 307 Q HA 0.643 4.983 4.340 -0.000 0.000 0.275 307 Q C -1.347 174.677 176.000 0.040 0.000 1.090 307 Q CA -0.809 55.019 55.803 0.042 0.000 0.809 307 Q CB 3.234 32.014 28.738 0.070 0.000 1.362 307 Q HN 0.725 nan 8.270 nan 0.000 0.431 308 I N 3.680 124.279 120.570 0.049 0.000 2.390 308 I HA 0.438 4.607 4.170 -0.000 0.000 0.283 308 I C -0.402 175.760 176.117 0.074 0.000 1.016 308 I CA -0.646 60.683 61.300 0.049 0.000 1.151 308 I CB 0.578 38.606 38.000 0.046 0.000 1.293 308 I HN 0.541 nan 8.210 nan 0.000 0.458 309 I N 2.274 122.877 120.570 0.055 0.000 2.846 309 I HA 0.624 4.794 4.170 -0.000 0.000 0.307 309 I C -0.687 175.401 176.117 -0.047 0.000 1.053 309 I CA -0.641 60.691 61.300 0.054 0.000 1.050 309 I CB 2.350 40.391 38.000 0.069 0.000 1.239 309 I HN 0.439 nan 8.210 nan 0.000 0.439 310 E N 3.839 123.980 120.200 -0.097 0.000 3.132 310 E HA 0.233 4.583 4.350 -0.000 0.000 0.241 310 E C -2.140 174.296 176.600 -0.273 0.000 1.196 310 E CA -1.486 54.839 56.400 -0.126 0.000 0.869 310 E CB 1.258 30.943 29.700 -0.025 0.000 1.387 310 E HN 0.535 nan 8.360 nan 0.000 0.393 311 P HA -0.174 nan 4.420 nan 0.000 0.223 311 P C 0.380 177.505 177.300 -0.291 0.000 1.144 311 P CA 1.165 63.761 63.100 -0.841 0.000 0.783 311 P CB 0.386 31.521 31.700 -0.942 0.000 0.771 312 E N -0.717 119.385 120.200 -0.162 0.000 2.548 312 E HA 0.378 4.727 4.350 -0.000 0.000 0.206 312 E C 0.755 177.329 176.600 -0.043 0.000 1.005 312 E CA -0.068 56.291 56.400 -0.068 0.000 0.951 312 E CB 0.370 30.036 29.700 -0.057 0.000 1.035 312 E HN 0.193 nan 8.360 nan 0.000 0.470 313 G N 1.328 110.102 108.800 -0.043 0.000 2.631 313 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.504 313 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.504 313 G C -0.812 174.029 174.900 -0.099 0.000 1.306 313 G CA -0.979 44.098 45.100 -0.038 0.000 0.897 313 G HN -0.041 nan 8.290 nan 0.000 0.520 314 K N -0.039 120.241 120.400 -0.201 0.000 2.090 314 K HA 0.378 4.698 4.320 -0.000 0.000 0.249 314 K C 1.195 177.643 176.600 -0.253 0.000 0.995 314 K CA -0.529 55.534 56.287 -0.375 0.000 0.914 314 K CB 0.646 32.549 32.500 -0.996 0.000 1.057 314 K HN 0.562 nan 8.250 nan 0.000 0.462 315 N N -0.383 118.236 118.700 -0.136 0.000 2.422 315 N HA -0.022 4.718 4.740 -0.000 0.000 0.181 315 N C -0.403 175.220 175.510 0.189 0.000 1.080 315 N CA 0.186 53.283 53.050 0.078 0.000 0.893 315 N CB 0.029 38.661 38.487 0.243 0.000 0.973 315 N HN 0.470 nan 8.380 nan 0.000 0.456 316 Y N -1.225 119.220 120.300 0.242 0.000 2.403 316 Y HA 0.686 5.236 4.550 -0.000 0.000 0.323 316 Y C -0.031 175.885 175.900 0.026 0.000 1.226 316 Y CA -0.997 57.200 58.100 0.162 0.000 1.235 316 Y CB 0.726 39.214 38.460 0.046 0.000 1.248 316 Y HN -0.347 nan 8.280 nan 0.000 0.489 317 T N 3.368 118.045 114.554 0.205 0.000 2.876 317 T HA 0.591 4.941 4.350 -0.000 0.000 0.289 317 T C -0.872 173.816 174.700 -0.020 0.000 1.014 317 T CA -0.655 61.477 62.100 0.052 0.000 0.986 317 T CB 0.972 69.895 68.868 0.092 0.000 1.021 317 T HN 0.596 nan 8.240 nan 0.000 0.458 318 I N 2.645 123.117 120.570 -0.164 0.000 2.411 318 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 318 I C -0.138 175.966 176.117 -0.021 0.000 1.012 318 I CA -0.580 60.616 61.300 -0.175 0.000 1.119 318 I CB 1.744 39.524 38.000 -0.367 0.000 1.261 318 I HN 0.503 nan 8.210 nan 0.000 0.448 319 T N 5.218 119.779 114.554 0.011 0.000 2.947 319 T HA 0.528 4.878 4.350 -0.000 0.000 0.337 319 T C 0.786 175.528 174.700 0.069 0.000 1.139 319 T CA 0.211 62.350 62.100 0.064 0.000 0.992 319 T CB 1.220 70.121 68.868 0.056 0.000 1.043 319 T HN 1.050 nan 8.240 nan 0.000 0.498 320 G N 3.986 112.846 108.800 0.100 0.000 2.595 320 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.297 320 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.297 320 G C 0.343 175.252 174.900 0.015 0.000 1.181 320 G CA 0.422 45.565 45.100 0.071 0.000 0.963 320 G HN 0.603 nan 8.290 nan 0.000 0.541 321 D N 1.009 121.364 120.400 -0.076 0.000 2.469 321 D HA 0.256 4.896 4.640 -0.000 0.000 0.213 321 D C 0.940 177.030 176.300 -0.349 0.000 1.135 321 D CA 0.036 53.870 54.000 -0.276 0.000 0.834 321 D CB 0.304 40.778 40.800 -0.544 0.000 1.009 321 D HN 0.346 nan 8.370 nan 0.000 0.507 322 M N 1.353 120.857 119.600 -0.160 0.000 2.120 322 M HA 0.288 4.768 4.480 -0.000 0.000 0.354 322 M C -0.030 176.130 176.300 -0.233 0.000 1.287 322 M CA 0.117 55.325 55.300 -0.153 0.000 1.103 322 M CB 1.703 34.328 32.600 0.042 0.000 1.623 322 M HN -0.275 nan 8.290 nan 0.000 0.471 323 I N 3.228 123.507 120.570 -0.485 0.000 2.359 323 I HA 0.286 4.456 4.170 -0.000 0.000 0.294 323 I C -0.139 175.763 176.117 -0.358 0.000 0.987 323 I CA -0.568 60.395 61.300 -0.563 0.000 1.225 323 I CB 0.936 38.275 38.000 -1.101 0.000 1.366 323 I HN 0.617 nan 8.210 nan 0.000 0.466 324 H N 6.405 125.381 119.070 -0.157 0.000 2.529 324 H HA 0.296 4.852 4.556 -0.000 0.000 0.348 324 H C -2.202 173.244 175.328 0.198 0.000 1.079 324 H CA -0.647 55.402 56.048 0.003 0.000 1.198 324 H CB 1.952 31.721 29.762 0.012 0.000 1.521 324 H HN 0.747 nan 8.280 nan 0.000 0.514 325 W N 8.781 129.675 121.300 -0.677 0.000 3.268 325 W HA 0.322 4.982 4.660 -0.000 0.000 0.330 325 W C -0.682 175.680 176.519 -0.261 0.000 1.074 325 W CA -0.402 56.740 57.345 -0.337 0.000 1.263 325 W CB 0.394 29.837 29.460 -0.027 0.000 1.250 325 W HN 0.927 nan 8.180 nan 0.000 0.425 326 R N 2.677 122.750 120.500 -0.712 0.000 4.048 326 R HA -0.328 4.012 4.340 -0.000 0.000 0.247 326 R C 0.449 176.491 176.300 -0.430 0.000 0.258 326 R CA 1.887 57.590 56.100 -0.661 0.000 0.890 326 R CB -1.410 28.284 30.300 -1.010 0.000 0.995 326 R HN 0.741 nan 8.270 nan 0.000 0.561 327 N N -0.474 117.913 118.700 -0.522 0.000 2.205 327 N HA 0.147 4.887 4.740 -0.000 0.000 0.201 327 N C -0.281 174.875 175.510 -0.590 0.000 1.128 327 N CA -0.173 52.468 53.050 -0.682 0.000 0.867 327 N CB 0.356 38.057 38.487 -1.311 0.000 0.996 327 N HN 0.194 nan 8.380 nan 0.000 0.503 328 W N 1.591 122.766 121.300 -0.209 0.000 2.381 328 W HA 0.381 5.041 4.660 -0.000 0.000 0.329 328 W C -0.238 176.322 176.519 0.068 0.000 1.157 328 W CA -0.498 56.871 57.345 0.040 0.000 1.240 328 W CB 0.955 30.564 29.460 0.247 0.000 1.199 328 W HN -0.194 nan 8.180 nan 0.000 0.579 329 D N 2.536 123.238 120.400 0.503 0.000 2.964 329 D HA 0.428 5.068 4.640 -0.000 0.000 0.234 329 D C -1.080 175.454 176.300 0.390 0.000 1.223 329 D CA -0.354 53.840 54.000 0.323 0.000 0.889 329 D CB 2.270 43.247 40.800 0.294 0.000 1.609 329 D HN 0.250 nan 8.370 nan 0.000 0.523 330 F N -1.077 118.910 119.950 0.062 0.000 2.741 330 F HA 0.411 4.938 4.527 -0.000 0.000 0.313 330 F C -1.564 174.210 175.800 -0.043 0.000 1.153 330 F CA -1.011 56.991 58.000 0.004 0.000 0.931 330 F CB 1.718 40.654 39.000 -0.107 0.000 1.335 330 F HN 0.197 nan 8.300 nan 0.000 0.460 331 H N 2.189 121.223 119.070 -0.060 0.000 2.489 331 H HA 0.672 5.228 4.556 -0.000 0.000 0.343 331 H C -2.056 173.162 175.328 -0.183 0.000 1.086 331 H CA -0.766 55.111 56.048 -0.286 0.000 1.198 331 H CB 2.113 31.507 29.762 -0.614 0.000 1.490 331 H HN 0.856 nan 8.280 nan 0.000 0.504 332 L N 5.075 125.924 121.223 -0.624 0.000 2.325 332 L HA 0.388 4.728 4.340 -0.000 0.000 0.281 332 L C -0.883 175.668 176.870 -0.531 0.000 1.004 332 L CA -0.162 54.437 54.840 -0.402 0.000 0.823 332 L CB 1.299 43.215 42.059 -0.239 0.000 1.236 332 L HN 0.695 nan 8.230 nan 0.000 0.415 333 S N 4.283 119.778 115.700 -0.341 0.000 2.627 333 S HA 0.843 5.313 4.470 -0.000 0.000 0.283 333 S C -0.715 173.752 174.600 -0.221 0.000 1.127 333 S CA -0.902 57.158 58.200 -0.234 0.000 0.863 333 S CB 1.706 64.874 63.200 -0.054 0.000 1.121 333 S HN 0.668 nan 8.310 nan 0.000 0.479 334 M N 2.577 122.072 119.600 -0.176 0.000 2.508 334 M HA 0.524 5.004 4.480 -0.000 0.000 0.327 334 M C -0.976 175.235 176.300 -0.148 0.000 1.160 334 M CA -0.527 54.654 55.300 -0.199 0.000 0.980 334 M CB 1.666 34.178 32.600 -0.147 0.000 1.693 334 M HN 0.884 nan 8.290 nan 0.000 0.452 335 N N 0.971 119.573 118.700 -0.164 0.000 2.258 335 N HA 0.274 5.014 4.740 -0.000 0.000 0.299 335 N C 0.029 175.503 175.510 -0.060 0.000 1.047 335 N CA 0.106 53.100 53.050 -0.093 0.000 0.814 335 N CB 1.706 40.141 38.487 -0.087 0.000 1.413 335 N HN 0.860 nan 8.380 nan 0.000 0.478 336 S N 3.207 118.904 115.700 -0.004 0.000 2.423 336 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 336 S C 1.725 176.358 174.600 0.055 0.000 1.014 336 S CA 0.634 58.857 58.200 0.038 0.000 0.965 336 S CB 0.047 63.281 63.200 0.057 0.000 0.785 336 S HN 0.705 nan 8.310 nan 0.000 0.495 337 R N 1.013 121.529 120.500 0.027 0.000 2.048 337 R HA 0.059 4.399 4.340 -0.000 0.000 0.224 337 R C 2.122 178.450 176.300 0.047 0.000 1.163 337 R CA 1.618 57.729 56.100 0.019 0.000 0.956 337 R CB -0.248 30.018 30.300 -0.057 0.000 0.849 337 R HN 0.457 nan 8.270 nan 0.000 0.435 338 V N -1.693 118.231 119.914 0.016 0.000 3.647 338 V HA 0.425 4.545 4.120 -0.000 0.000 0.279 338 V C 0.835 176.765 176.094 -0.272 0.000 1.314 338 V CA 0.405 62.694 62.300 -0.019 0.000 1.125 338 V CB -0.217 31.619 31.823 0.023 0.000 0.907 338 V HN 0.694 nan 8.190 nan 0.000 0.434 339 G N 1.299 109.861 108.800 -0.396 0.000 2.496 339 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.243 339 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.243 339 G C -2.567 171.847 174.900 -0.810 0.000 1.176 339 G CA -0.162 44.353 45.100 -0.974 0.000 0.940 339 G HN 0.618 nan 8.290 nan 0.000 0.573 340 P HA 0.398 nan 4.420 nan 0.000 0.271 340 P C -0.395 176.566 177.300 -0.566 0.000 1.216 340 P CA 0.517 63.218 63.100 -0.664 0.000 0.776 340 P CB 0.534 31.865 31.700 -0.616 0.000 0.881 341 M N 3.317 122.637 119.600 -0.467 0.000 2.263 341 M HA 0.440 4.920 4.480 -0.000 0.000 0.295 341 M C -0.369 175.684 176.300 -0.411 0.000 1.028 341 M CA -0.716 54.326 55.300 -0.429 0.000 0.921 341 M CB 2.261 34.688 32.600 -0.287 0.000 1.601 341 M HN 0.122 nan 8.290 nan 0.000 0.440 342 I N 2.348 122.619 120.570 -0.498 0.000 2.321 342 I HA 0.519 4.689 4.170 -0.000 0.000 0.291 342 I C -0.176 175.799 176.117 -0.237 0.000 0.998 342 I CA -0.104 60.992 61.300 -0.339 0.000 1.227 342 I CB 1.300 39.016 38.000 -0.473 0.000 1.368 342 I HN 0.666 nan 8.210 nan 0.000 0.466 343 S N 2.577 118.205 115.700 -0.121 0.000 2.661 343 S HA 0.483 4.953 4.470 -0.000 0.000 0.285 343 S C 0.074 174.578 174.600 -0.159 0.000 1.138 343 S CA -0.527 57.519 58.200 -0.257 0.000 0.855 343 S CB 1.916 64.884 63.200 -0.387 0.000 1.136 343 S HN 0.833 nan 8.310 nan 0.000 0.484 344 T N -1.717 112.586 114.554 -0.418 0.000 3.720 344 T HA -0.159 4.191 4.350 -0.000 0.000 0.381 344 T C -0.097 174.717 174.700 0.191 0.000 0.763 344 T CA 0.247 62.133 62.100 -0.358 0.000 1.957 344 T CB -2.646 66.111 68.868 -0.185 0.000 1.767 344 T HN 0.533 nan 8.240 nan 0.000 0.743 345 V N 2.133 122.236 119.914 0.316 0.000 2.488 345 V HA 0.663 4.783 4.120 -0.000 0.000 0.277 345 V C 1.125 177.598 176.094 0.631 0.000 1.046 345 V CA 0.246 62.842 62.300 0.494 0.000 0.986 345 V CB 1.050 33.113 31.823 0.401 0.000 0.989 345 V HN 1.002 nan 8.190 nan 0.000 0.475 346 T N 1.977 116.905 114.554 0.622 0.000 2.896 346 T HA 0.623 4.973 4.350 -0.000 0.000 0.297 346 T C -1.246 173.729 174.700 0.459 0.000 1.108 346 T CA -0.751 61.657 62.100 0.513 0.000 1.004 346 T CB 1.863 70.975 68.868 0.405 0.000 1.159 346 T HN 0.413 nan 8.240 nan 0.000 0.499 347 Y N 1.533 121.940 120.300 0.179 0.000 2.328 347 Y HA 0.493 5.043 4.550 -0.000 0.000 0.336 347 Y C -0.002 175.943 175.900 0.076 0.000 0.960 347 Y CA -1.255 56.817 58.100 -0.048 0.000 1.134 347 Y CB 1.410 39.749 38.460 -0.201 0.000 1.166 347 Y HN 0.919 nan 8.280 nan 0.000 0.464 348 N N 4.805 123.411 118.700 -0.157 0.000 2.448 348 N HA 0.014 4.754 4.740 -0.000 0.000 0.250 348 N C -1.328 174.255 175.510 0.121 0.000 1.136 348 N CA -0.267 52.783 53.050 0.000 0.000 0.953 348 N CB 0.130 38.581 38.487 -0.059 0.000 1.251 348 N HN 0.563 nan 8.380 nan 0.000 0.502 349 D N 3.410 123.996 120.400 0.310 0.000 2.428 349 D HA 0.047 4.687 4.640 -0.000 0.000 0.221 349 D C -0.114 176.291 176.300 0.175 0.000 1.123 349 D CA -0.147 54.075 54.000 0.370 0.000 0.869 349 D CB 0.013 41.046 40.800 0.388 0.000 1.032 349 D HN 0.580 nan 8.370 nan 0.000 0.506 350 N N 3.704 122.479 118.700 0.125 0.000 2.705 350 N HA -0.251 4.489 4.740 -0.000 0.000 0.255 350 N C 0.902 176.437 175.510 0.043 0.000 1.008 350 N CA 1.800 54.888 53.050 0.063 0.000 0.742 350 N CB -1.184 37.337 38.487 0.057 0.000 0.906 350 N HN 0.829 nan 8.380 nan 0.000 0.541 351 G N -2.187 106.634 108.800 0.036 0.000 2.217 351 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.246 351 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.246 351 G C 0.145 175.064 174.900 0.032 0.000 0.990 351 G CA 0.524 45.638 45.100 0.023 0.000 0.627 351 G HN 0.775 nan 8.290 nan 0.000 0.522 352 T N 1.637 116.222 114.554 0.052 0.000 2.792 352 T HA 0.528 4.878 4.350 -0.000 0.000 0.280 352 T C -0.021 174.727 174.700 0.079 0.000 0.990 352 T CA -0.555 61.573 62.100 0.047 0.000 0.960 352 T CB 1.726 70.611 68.868 0.029 0.000 0.939 352 T HN 0.311 nan 8.240 nan 0.000 0.439 353 K N 3.348 123.792 120.400 0.073 0.000 2.383 353 K HA 0.278 4.598 4.320 -0.000 0.000 0.286 353 K C 0.226 176.889 176.600 0.105 0.000 1.051 353 K CA 0.013 56.367 56.287 0.112 0.000 0.974 353 K CB 0.682 33.257 32.500 0.125 0.000 0.968 353 K HN 0.350 nan 8.250 nan 0.000 0.475 354 R N 2.667 123.273 120.500 0.176 0.000 2.589 354 R HA 0.225 4.565 4.340 -0.000 0.000 0.293 354 R C -0.509 175.909 176.300 0.196 0.000 0.963 354 R CA -0.922 55.266 56.100 0.147 0.000 0.905 354 R CB 1.632 32.044 30.300 0.186 0.000 1.144 354 R HN 0.370 nan 8.270 nan 0.000 0.459 355 K N 1.117 121.533 120.400 0.027 0.000 2.401 355 K HA 0.051 4.371 4.320 -0.000 0.000 0.278 355 K C 0.280 177.002 176.600 0.203 0.000 1.018 355 K CA -0.122 56.160 56.287 -0.009 0.000 0.981 355 K CB 0.934 33.196 32.500 -0.398 0.000 0.933 355 K HN 0.310 nan 8.250 nan 0.000 0.477 356 V N 2.328 122.404 119.914 0.271 0.000 3.054 356 V HA 0.163 4.282 4.120 -0.000 0.000 0.227 356 V C -0.005 176.153 176.094 0.106 0.000 1.252 356 V CA 0.070 62.419 62.300 0.082 0.000 1.279 356 V CB 0.367 32.231 31.823 0.069 0.000 1.118 356 V HN 0.749 nan 8.190 nan 0.000 0.504 357 M N -1.223 118.544 119.600 0.278 0.000 2.271 357 M HA 0.370 4.849 4.480 -0.000 0.000 0.285 357 M C -0.054 176.427 176.300 0.303 0.000 1.059 357 M CA -0.600 54.834 55.300 0.224 0.000 0.940 357 M CB 2.278 34.920 32.600 0.070 0.000 1.636 357 M HN 0.292 nan 8.290 nan 0.000 0.460 358 Y N 3.851 124.249 120.300 0.163 0.000 2.184 358 Y HA 0.188 4.737 4.550 -0.000 0.000 0.290 358 Y C -0.348 175.427 175.900 -0.208 0.000 1.129 358 Y CA 1.639 59.656 58.100 -0.139 0.000 1.144 358 Y CB 0.577 38.946 38.460 -0.151 0.000 0.995 358 Y HN 0.643 nan 8.280 nan 0.000 0.513 359 E N -1.300 118.768 120.200 -0.220 0.000 2.354 359 E HA 0.506 4.856 4.350 -0.000 0.000 0.283 359 E C -1.271 175.221 176.600 -0.180 0.000 0.938 359 E CA -0.294 55.914 56.400 -0.320 0.000 0.777 359 E CB 1.791 31.306 29.700 -0.310 0.000 1.222 359 E HN 0.262 nan 8.360 nan 0.000 0.423 360 G N 0.818 109.483 108.800 -0.225 0.000 2.662 360 G HA2 0.675 4.635 3.960 -0.000 0.000 0.302 360 G HA3 0.675 4.635 3.960 -0.000 0.000 0.302 360 G C -0.862 173.856 174.900 -0.303 0.000 1.389 360 G CA -0.344 44.668 45.100 -0.147 0.000 0.998 360 G HN 0.501 nan 8.290 nan 0.000 0.502 361 S N 0.702 116.407 115.700 0.009 0.000 2.636 361 S HA 0.608 5.077 4.470 -0.000 0.000 0.266 361 S C -1.237 173.612 174.600 0.415 0.000 1.147 361 S CA -0.809 57.402 58.200 0.018 0.000 0.815 361 S CB 1.068 64.182 63.200 -0.143 0.000 1.119 361 S HN 1.555 nan 8.310 nan 0.000 0.470 362 L N 2.007 123.434 121.223 0.340 0.000 2.453 362 L HA 0.637 4.977 4.340 -0.000 0.000 0.272 362 L C 1.210 178.125 176.870 0.075 0.000 1.182 362 L CA 1.323 56.283 54.840 0.201 0.000 0.858 362 L CB 0.374 42.409 42.059 -0.039 0.000 1.120 362 L HN 1.011 nan 8.230 nan 0.000 0.474 363 G N 2.850 111.664 108.800 0.024 0.000 2.447 363 G HA2 0.481 4.441 3.960 -0.000 0.000 0.211 363 G HA3 0.481 4.441 3.960 -0.000 0.000 0.211 363 G C 0.380 175.332 174.900 0.087 0.000 1.184 363 G CA 0.488 45.647 45.100 0.099 0.000 0.813 363 G HN 1.130 nan 8.290 nan 0.000 0.540 364 G N -1.016 107.736 108.800 -0.079 0.000 2.466 364 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 364 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 364 G C -1.068 173.752 174.900 -0.134 0.000 1.460 364 G CA -0.342 44.695 45.100 -0.105 0.000 0.791 364 G HN 0.770 nan 8.290 nan 0.000 0.505 365 M N -0.678 118.912 119.600 -0.017 0.000 2.622 365 M HA 0.916 5.396 4.480 -0.000 0.000 0.276 365 M C -1.710 174.663 176.300 0.122 0.000 1.265 365 M CA -1.087 54.239 55.300 0.043 0.000 0.850 365 M CB 2.693 35.267 32.600 -0.044 0.000 1.720 365 M HN 0.810 nan 8.290 nan 0.000 0.465 366 I N 1.197 121.824 120.570 0.095 0.000 2.802 366 I HA 0.710 4.880 4.170 -0.000 0.000 0.298 366 I C -1.833 174.287 176.117 0.006 0.000 1.176 366 I CA -0.784 60.571 61.300 0.092 0.000 1.025 366 I CB 2.656 40.704 38.000 0.079 0.000 1.243 366 I HN 0.647 nan 8.210 nan 0.000 0.424 367 V N 7.664 127.597 119.914 0.031 0.000 2.380 367 V HA 0.438 4.558 4.120 -0.000 0.000 0.268 367 V C -2.476 173.557 176.094 -0.102 0.000 1.008 367 V CA -1.037 61.231 62.300 -0.054 0.000 0.823 367 V CB 0.832 32.700 31.823 0.076 0.000 1.053 367 V HN 0.567 nan 8.190 nan 0.000 0.446 368 P HA 0.433 nan 4.420 nan 0.000 0.294 368 P C -1.300 176.037 177.300 0.061 0.000 1.294 368 P CA -0.398 62.752 63.100 0.083 0.000 0.827 368 P CB 1.619 33.423 31.700 0.173 0.000 0.992 369 Y N 0.592 120.961 120.300 0.114 0.000 2.432 369 Y HA 0.504 5.054 4.550 -0.000 0.000 0.322 369 Y C 1.856 177.801 175.900 0.076 0.000 1.246 369 Y CA 0.383 58.548 58.100 0.107 0.000 1.268 369 Y CB 1.138 39.658 38.460 0.100 0.000 1.276 369 Y HN 0.489 nan 8.280 nan 0.000 0.499 370 G N 0.075 108.931 108.800 0.093 0.000 3.651 370 G HA2 0.021 3.981 3.960 -0.000 0.000 0.279 370 G HA3 0.021 3.981 3.960 -0.000 0.000 0.279 370 G C -0.753 174.058 174.900 -0.149 0.000 1.024 370 G CA -0.110 44.949 45.100 -0.069 0.000 0.813 370 G HN 0.493 nan 8.290 nan 0.000 0.518 371 D N 0.957 121.261 120.400 -0.160 0.000 2.193 371 D HA 0.280 4.920 4.640 -0.000 0.000 0.244 371 D C -1.478 174.655 176.300 -0.278 0.000 1.064 371 D CA -1.949 51.755 54.000 -0.493 0.000 0.845 371 D CB 3.080 43.596 40.800 -0.474 0.000 1.148 371 D HN -0.000 nan 8.370 nan 0.000 0.464 372 P HA 0.046 nan 4.420 nan 0.000 0.230 372 P C -0.170 177.146 177.300 0.026 0.000 1.168 372 P CA -0.009 63.004 63.100 -0.144 0.000 0.793 372 P CB 0.495 32.072 31.700 -0.206 0.000 0.851 373 D N 0.079 120.486 120.400 0.013 0.000 2.370 373 D HA -0.074 4.566 4.640 -0.000 0.000 0.235 373 D C 1.574 178.083 176.300 0.348 0.000 1.228 373 D CA -0.111 53.987 54.000 0.162 0.000 0.884 373 D CB 0.411 41.300 40.800 0.150 0.000 1.201 373 D HN -0.143 nan 8.370 nan 0.000 0.456 374 I N 0.944 121.706 120.570 0.321 0.000 2.151 374 I HA -0.174 3.996 4.170 -0.000 0.000 0.243 374 I C 2.076 178.374 176.117 0.301 0.000 1.080 374 I CA 1.913 63.421 61.300 0.346 0.000 1.339 374 I CB -0.428 37.694 38.000 0.204 0.000 1.039 374 I HN 0.514 nan 8.210 nan 0.000 0.409 375 G N -2.509 106.421 108.800 0.217 0.000 3.181 375 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.219 375 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.219 375 G C 0.579 175.125 174.900 -0.590 0.000 1.182 375 G CA 0.017 45.076 45.100 -0.069 0.000 0.791 375 G HN 0.530 nan 8.290 nan 0.000 0.537 376 W N -1.683 119.468 121.300 -0.249 0.000 2.576 376 W HA 0.182 4.842 4.660 -0.000 0.000 0.236 376 W C 1.921 178.146 176.519 -0.490 0.000 0.989 376 W CA -0.432 56.625 57.345 -0.480 0.000 1.254 376 W CB -0.230 29.090 29.460 -0.233 0.000 0.857 376 W HN 0.220 nan 8.180 nan 0.000 0.662 377 Y N 0.790 121.076 120.300 -0.023 0.000 2.241 377 Y HA -0.267 4.283 4.550 -0.000 0.000 0.286 377 Y C 1.679 177.652 175.900 0.121 0.000 1.166 377 Y CA 1.522 59.645 58.100 0.039 0.000 1.203 377 Y CB -1.800 36.672 38.460 0.020 0.000 0.977 377 Y HN 0.071 nan 8.280 nan 0.000 0.529 378 F N -0.224 119.523 119.950 -0.337 0.000 2.776 378 F HA 0.401 4.928 4.527 -0.000 0.000 0.300 378 F C 0.746 176.593 175.800 0.078 0.000 1.116 378 F CA -1.151 56.844 58.000 -0.007 0.000 1.375 378 F CB -0.467 38.327 39.000 -0.342 0.000 1.109 378 F HN -0.244 nan 8.300 nan 0.000 0.585 379 K N 2.268 122.304 120.400 -0.608 0.000 2.307 379 K HA 0.459 4.779 4.320 -0.000 0.000 0.285 379 K C -0.320 176.121 176.600 -0.264 0.000 1.073 379 K CA 0.277 56.257 56.287 -0.512 0.000 0.996 379 K CB 0.015 32.111 32.500 -0.672 0.000 0.994 379 K HN 0.382 nan 8.250 nan 0.000 0.452 380 A N 5.332 127.997 122.820 -0.259 0.000 3.422 380 A HA 0.181 4.500 4.320 -0.000 0.000 0.271 380 A C -1.155 176.439 177.584 0.018 0.000 1.104 380 A CA -0.694 51.270 52.037 -0.123 0.000 0.899 380 A CB -0.002 18.989 19.000 -0.014 0.000 1.309 380 A HN 0.691 nan 8.150 nan 0.000 0.580 381 Y N 0.366 120.790 120.300 0.208 0.000 2.650 381 Y HA 0.253 4.803 4.550 -0.000 0.000 0.331 381 Y C 0.513 176.537 175.900 0.207 0.000 1.165 381 Y CA -0.256 57.989 58.100 0.243 0.000 1.473 381 Y CB 0.351 38.964 38.460 0.256 0.000 1.224 381 Y HN 0.388 nan 8.280 nan 0.000 0.533 382 L N 5.227 126.666 121.223 0.360 0.000 2.375 382 L HA 0.083 4.423 4.340 -0.000 0.000 0.276 382 L C 1.232 178.279 176.870 0.294 0.000 1.162 382 L CA -0.091 54.891 54.840 0.236 0.000 0.991 382 L CB 0.056 42.194 42.059 0.132 0.000 1.315 382 L HN 0.689 nan 8.230 nan 0.000 0.431 383 E N 0.817 121.193 120.200 0.293 0.000 2.068 383 E HA -0.267 4.083 4.350 -0.000 0.000 0.207 383 E C 2.014 178.786 176.600 0.287 0.000 1.032 383 E CA 2.087 58.675 56.400 0.314 0.000 0.839 383 E CB -0.294 29.550 29.700 0.240 0.000 0.758 383 E HN 0.754 nan 8.360 nan 0.000 0.457 384 S N 0.146 115.956 115.700 0.183 0.000 2.362 384 S HA 0.018 4.488 4.470 -0.000 0.000 0.221 384 S C 2.280 176.910 174.600 0.050 0.000 1.032 384 S CA 0.861 59.146 58.200 0.142 0.000 0.973 384 S CB -0.843 62.417 63.200 0.100 0.000 0.849 384 S HN 0.351 nan 8.310 nan 0.000 0.465 385 G N 2.027 110.822 108.800 -0.009 0.000 2.421 385 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 385 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 385 G C 1.058 175.909 174.900 -0.081 0.000 1.171 385 G CA 1.194 46.224 45.100 -0.116 0.000 0.775 385 G HN 0.487 nan 8.290 nan 0.000 0.543 386 D N -1.253 119.133 120.400 -0.024 0.000 2.327 386 D HA 0.095 4.735 4.640 -0.000 0.000 0.205 386 D C 1.380 177.451 176.300 -0.383 0.000 0.989 386 D CA 0.499 54.380 54.000 -0.199 0.000 0.873 386 D CB 0.131 40.800 40.800 -0.218 0.000 0.955 386 D HN 0.479 nan 8.370 nan 0.000 0.515 387 Y N -0.366 119.986 120.300 0.087 0.000 2.430 387 Y HA 0.343 4.893 4.550 -0.000 0.000 0.254 387 Y C 1.142 177.107 175.900 0.109 0.000 1.088 387 Y CA 0.037 58.208 58.100 0.117 0.000 1.267 387 Y CB 0.997 39.546 38.460 0.149 0.000 1.204 387 Y HN -0.097 nan 8.280 nan 0.000 0.515 388 G N 1.366 110.286 108.800 0.200 0.000 2.623 388 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.281 388 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.281 388 G C 0.570 175.602 174.900 0.220 0.000 1.087 388 G CA 0.281 45.479 45.100 0.162 0.000 1.244 388 G HN 0.289 nan 8.290 nan 0.000 0.544 389 M N 0.516 120.274 119.600 0.265 0.000 2.149 389 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 389 M C 2.770 179.369 176.300 0.500 0.000 1.064 389 M CA 2.480 58.007 55.300 0.378 0.000 1.102 389 M CB -0.227 32.641 32.600 0.447 0.000 1.369 389 M HN 0.617 nan 8.290 nan 0.000 0.408 390 G N -0.635 108.388 108.800 0.372 0.000 2.421 390 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 390 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 390 G C 1.426 176.478 174.900 0.253 0.000 1.171 390 G CA 1.417 46.694 45.100 0.295 0.000 0.775 390 G HN 0.372 nan 8.290 nan 0.000 0.543 391 T N 1.361 116.028 114.554 0.188 0.000 2.720 391 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 391 T C 2.030 176.821 174.700 0.153 0.000 1.037 391 T CA 0.648 62.838 62.100 0.150 0.000 1.144 391 T CB -0.172 68.777 68.868 0.135 0.000 0.864 391 T HN 0.117 nan 8.240 nan 0.000 0.444 392 L N 1.635 122.964 121.223 0.177 0.000 2.660 392 L HA 0.111 4.451 4.340 -0.000 0.000 0.238 392 L C 0.614 177.571 176.870 0.145 0.000 1.161 392 L CA -0.198 54.723 54.840 0.135 0.000 0.937 392 L CB -0.785 41.350 42.059 0.126 0.000 1.122 392 L HN 0.134 nan 8.230 nan 0.000 0.435 393 T N -0.004 114.688 114.554 0.231 0.000 2.946 393 T HA -0.013 4.337 4.350 -0.000 0.000 0.311 393 T C 0.650 175.413 174.700 0.105 0.000 1.063 393 T CA 0.293 62.539 62.100 0.244 0.000 1.139 393 T CB 0.672 69.785 68.868 0.408 0.000 0.994 393 T HN 0.122 nan 8.240 nan 0.000 0.547 394 S N 4.987 120.702 115.700 0.024 0.000 2.422 394 S HA 0.334 4.804 4.470 -0.000 0.000 0.308 394 S C -2.239 172.378 174.600 0.027 0.000 1.097 394 S CA -1.203 56.998 58.200 0.002 0.000 1.099 394 S CB 0.841 64.006 63.200 -0.058 0.000 0.976 394 S HN 0.455 nan 8.310 nan 0.000 0.471 395 P HA 0.011 nan 4.420 nan 0.000 0.260 395 P C -0.218 177.100 177.300 0.031 0.000 1.172 395 P CA -0.039 63.088 63.100 0.046 0.000 0.760 395 P CB 0.158 31.876 31.700 0.030 0.000 0.773 396 I N 2.531 123.129 120.570 0.047 0.000 2.668 396 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 396 I C 1.004 177.129 176.117 0.013 0.000 1.168 396 I CA 0.034 61.355 61.300 0.036 0.000 1.424 396 I CB -0.349 37.688 38.000 0.063 0.000 1.377 396 I HN 0.355 nan 8.210 nan 0.000 0.560 397 A N 8.025 130.844 122.820 -0.001 0.000 2.376 397 A HA 0.223 4.543 4.320 -0.000 0.000 0.298 397 A C 0.784 178.360 177.584 -0.014 0.000 1.271 397 A CA -0.538 51.494 52.037 -0.008 0.000 0.926 397 A CB -0.028 18.964 19.000 -0.013 0.000 1.141 397 A HN 0.777 nan 8.150 nan 0.000 0.539 398 R N 1.981 122.474 120.500 -0.013 0.000 2.523 398 R HA 0.159 4.499 4.340 -0.000 0.000 0.281 398 R C 1.460 177.745 176.300 -0.025 0.000 0.969 398 R CA 1.792 57.882 56.100 -0.017 0.000 1.093 398 R CB -0.033 30.258 30.300 -0.016 0.000 0.917 398 R HN 1.616 nan 8.270 nan 0.000 0.408 399 G N 3.129 111.904 108.800 -0.041 0.000 2.234 399 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 399 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 399 G C 0.660 175.529 174.900 -0.052 0.000 0.987 399 G CA 0.774 45.847 45.100 -0.045 0.000 0.625 399 G HN 0.651 nan 8.290 nan 0.000 0.532 400 K N -0.865 119.508 120.400 -0.046 0.000 2.354 400 K HA 0.168 4.488 4.320 -0.000 0.000 0.210 400 K C 1.346 177.920 176.600 -0.043 0.000 1.184 400 K CA 0.391 56.654 56.287 -0.039 0.000 0.880 400 K CB 0.052 32.537 32.500 -0.024 0.000 1.328 400 K HN 0.066 nan 8.250 nan 0.000 0.466 401 D N 0.950 121.329 120.400 -0.036 0.000 2.312 401 D HA 0.039 4.679 4.640 -0.000 0.000 0.211 401 D C 0.086 176.363 176.300 -0.037 0.000 0.964 401 D CA 0.588 54.577 54.000 -0.019 0.000 0.877 401 D CB 0.412 41.207 40.800 -0.008 0.000 0.924 401 D HN 0.201 nan 8.370 nan 0.000 0.515 402 A N 0.371 123.124 122.820 -0.111 0.000 2.572 402 A HA 0.558 4.878 4.320 -0.000 0.000 0.295 402 A C -2.687 174.688 177.584 -0.348 0.000 1.072 402 A CA -1.342 50.513 52.037 -0.304 0.000 0.691 402 A CB 1.655 20.499 19.000 -0.260 0.000 1.291 402 A HN -0.227 nan 8.150 nan 0.000 0.404 403 P HA 0.054 nan 4.420 nan 0.000 0.269 403 P C 0.898 178.086 177.300 -0.187 0.000 1.215 403 P CA 0.424 63.324 63.100 -0.333 0.000 0.780 403 P CB 0.703 32.178 31.700 -0.373 0.000 0.898 404 S N 0.457 116.110 115.700 -0.080 0.000 2.493 404 S HA -0.157 4.313 4.470 -0.000 0.000 0.243 404 S C 1.124 175.745 174.600 0.035 0.000 0.991 404 S CA 0.850 59.044 58.200 -0.011 0.000 0.957 404 S CB -1.076 62.136 63.200 0.019 0.000 0.756 404 S HN 0.641 nan 8.310 nan 0.000 0.521 405 N N 1.574 120.297 118.700 0.038 0.000 2.251 405 N HA 0.356 5.096 4.740 -0.000 0.000 0.217 405 N C 0.164 175.770 175.510 0.159 0.000 1.124 405 N CA 0.161 53.278 53.050 0.110 0.000 0.843 405 N CB -0.011 38.553 38.487 0.127 0.000 1.024 405 N HN 0.451 nan 8.380 nan 0.000 0.501 406 A N 0.238 123.123 122.820 0.108 0.000 2.259 406 A HA 0.585 4.905 4.320 -0.000 0.000 0.278 406 A C -0.246 177.466 177.584 0.214 0.000 1.107 406 A CA -0.463 51.699 52.037 0.209 0.000 0.828 406 A CB 0.871 19.933 19.000 0.104 0.000 1.111 406 A HN 0.058 nan 8.150 nan 0.000 0.498 407 V N 1.088 121.157 119.914 0.259 0.000 2.448 407 V HA 0.353 4.472 4.120 -0.000 0.000 0.295 407 V C -0.464 175.753 176.094 0.204 0.000 1.025 407 V CA -0.235 62.217 62.300 0.253 0.000 0.859 407 V CB 1.185 33.209 31.823 0.335 0.000 0.988 407 V HN 0.660 nan 8.190 nan 0.000 0.431 408 L N 6.083 127.405 121.223 0.165 0.000 2.295 408 L HA 0.596 4.936 4.340 -0.000 0.000 0.285 408 L C -0.517 176.431 176.870 0.130 0.000 1.035 408 L CA -0.442 54.475 54.840 0.129 0.000 0.806 408 L CB 1.368 43.473 42.059 0.077 0.000 1.214 408 L HN 0.356 nan 8.230 nan 0.000 0.426 409 L N 2.925 124.222 121.223 0.123 0.000 2.325 409 L HA 0.476 4.816 4.340 -0.000 0.000 0.278 409 L C -0.244 176.658 176.870 0.055 0.000 1.023 409 L CA -0.755 54.146 54.840 0.102 0.000 0.811 409 L CB 1.732 43.852 42.059 0.103 0.000 1.249 409 L HN 0.598 nan 8.230 nan 0.000 0.431 410 N N 1.747 120.457 118.700 0.017 0.000 2.492 410 N HA 0.419 5.159 4.740 -0.000 0.000 0.289 410 N C -0.715 174.798 175.510 0.004 0.000 1.133 410 N CA -0.456 52.599 53.050 0.007 0.000 0.961 410 N CB 1.812 40.285 38.487 -0.023 0.000 1.186 410 N HN 0.477 nan 8.380 nan 0.000 0.493 411 E N 0.151 120.356 120.200 0.008 0.000 2.367 411 E HA 0.445 4.795 4.350 -0.000 0.000 0.273 411 E C -0.871 175.726 176.600 -0.005 0.000 0.903 411 E CA -0.551 55.843 56.400 -0.009 0.000 0.764 411 E CB 2.136 31.828 29.700 -0.013 0.000 1.252 411 E HN 0.336 nan 8.360 nan 0.000 0.446 412 T N 2.076 116.620 114.554 -0.017 0.000 2.863 412 T HA 0.745 5.095 4.350 -0.000 0.000 0.285 412 T C 0.172 174.864 174.700 -0.014 0.000 1.009 412 T CA -0.553 61.540 62.100 -0.012 0.000 0.989 412 T CB 0.708 69.565 68.868 -0.018 0.000 1.004 412 T HN 0.452 nan 8.240 nan 0.000 0.455 413 I N -0.833 119.735 120.570 -0.004 0.000 3.354 413 I HA 0.969 5.139 4.170 -0.000 0.000 0.316 413 I C -0.961 175.154 176.117 -0.003 0.000 1.182 413 I CA -1.876 59.423 61.300 -0.001 0.000 0.942 413 I CB 1.727 39.738 38.000 0.018 0.000 1.299 413 I HN 0.635 nan 8.210 nan 0.000 0.473 414 A N 1.732 124.551 122.820 -0.002 0.000 2.306 414 A HA 0.600 4.920 4.320 -0.000 0.000 0.314 414 A C -0.694 176.904 177.584 0.023 0.000 1.164 414 A CA -0.387 51.637 52.037 -0.021 0.000 0.822 414 A CB 0.487 19.456 19.000 -0.052 0.000 1.130 414 A HN 0.846 nan 8.150 nan 0.000 0.496 415 D N 0.407 120.815 120.400 0.013 0.000 2.433 415 D HA 0.075 4.715 4.640 -0.000 0.000 0.255 415 D C 0.793 177.160 176.300 0.111 0.000 1.226 415 D CA -0.031 54.018 54.000 0.081 0.000 1.015 415 D CB -0.023 40.814 40.800 0.063 0.000 1.091 415 D HN 0.640 nan 8.370 nan 0.000 0.527 416 Y N -1.938 118.431 120.300 0.116 0.000 2.569 416 Y HA -0.021 4.529 4.550 -0.000 0.000 0.293 416 Y C 1.645 177.718 175.900 0.290 0.000 1.144 416 Y CA 1.304 59.515 58.100 0.184 0.000 1.321 416 Y CB -0.957 37.587 38.460 0.139 0.000 0.982 416 Y HN 0.367 nan 8.280 nan 0.000 0.558 417 T N -3.905 110.434 114.554 -0.358 0.000 3.069 417 T HA 0.466 4.815 4.350 -0.000 0.000 0.252 417 T C 1.526 176.189 174.700 -0.062 0.000 1.053 417 T CA 0.209 62.214 62.100 -0.158 0.000 0.964 417 T CB -0.204 68.473 68.868 -0.319 0.000 1.005 417 T HN 0.862 nan 8.240 nan 0.000 0.532 418 G N 0.688 109.354 108.800 -0.224 0.000 2.141 418 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.242 418 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.242 418 G C -0.065 174.657 174.900 -0.296 0.000 0.982 418 G CA -0.105 44.668 45.100 -0.545 0.000 0.662 418 G HN 0.690 nan 8.290 nan 0.000 0.527 419 V N 1.707 121.513 119.914 -0.181 0.000 2.439 419 V HA 0.478 4.598 4.120 -0.000 0.000 0.282 419 V C -1.565 174.477 176.094 -0.086 0.000 1.039 419 V CA -1.731 60.496 62.300 -0.122 0.000 0.913 419 V CB 1.653 33.419 31.823 -0.095 0.000 0.983 419 V HN 0.090 nan 8.190 nan 0.000 0.460 420 P HA 0.157 nan 4.420 nan 0.000 0.266 420 P C -0.589 176.695 177.300 -0.027 0.000 1.195 420 P CA 0.204 63.276 63.100 -0.048 0.000 0.768 420 P CB 0.251 31.925 31.700 -0.044 0.000 0.838 421 M N -0.154 119.439 119.600 -0.011 0.000 2.213 421 M HA 0.493 4.973 4.480 -0.000 0.000 0.286 421 M C -0.744 175.561 176.300 0.009 0.000 1.008 421 M CA -0.643 54.660 55.300 0.005 0.000 0.937 421 M CB 2.817 35.432 32.600 0.025 0.000 1.600 421 M HN 0.092 nan 8.290 nan 0.000 0.450 422 E N 4.062 124.266 120.200 0.007 0.000 2.115 422 E HA 0.482 4.832 4.350 -0.000 0.000 0.282 422 E C -1.389 175.222 176.600 0.018 0.000 0.987 422 E CA -0.590 55.814 56.400 0.006 0.000 0.797 422 E CB 1.197 30.895 29.700 -0.004 0.000 1.086 422 E HN 0.814 nan 8.360 nan 0.000 0.397 423 I N 7.896 128.484 120.570 0.029 0.000 2.312 423 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 423 I C -1.964 174.176 176.117 0.039 0.000 1.031 423 I CA -2.125 59.202 61.300 0.046 0.000 1.293 423 I CB 0.979 39.024 38.000 0.076 0.000 1.403 423 I HN 0.352 nan 8.210 nan 0.000 0.484 424 P HA 0.134 nan 4.420 nan 0.000 0.275 424 P C -0.542 176.779 177.300 0.035 0.000 1.227 424 P CA -0.360 62.751 63.100 0.017 0.000 0.781 424 P CB 0.593 32.294 31.700 0.002 0.000 0.906 425 R N 1.103 121.622 120.500 0.032 0.000 3.301 425 R HA -0.227 4.113 4.340 -0.000 0.000 0.249 425 R C 1.111 177.468 176.300 0.095 0.000 0.964 425 R CA 0.455 56.589 56.100 0.056 0.000 0.653 425 R CB -2.424 27.898 30.300 0.036 0.000 1.043 425 R HN 0.601 nan 8.270 nan 0.000 0.454 426 A N 0.153 123.039 122.820 0.110 0.000 2.014 426 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 426 A C 1.004 178.743 177.584 0.259 0.000 1.163 426 A CA 0.884 53.028 52.037 0.178 0.000 0.652 426 A CB 0.348 19.437 19.000 0.147 0.000 0.808 426 A HN 0.383 nan 8.150 nan 0.000 0.449 427 I N -1.405 119.282 120.570 0.196 0.000 2.722 427 I HA 0.529 4.699 4.170 -0.000 0.000 0.295 427 I C -0.347 175.881 176.117 0.187 0.000 1.161 427 I CA -0.741 60.693 61.300 0.223 0.000 1.032 427 I CB 2.271 40.354 38.000 0.138 0.000 1.244 427 I HN 0.106 nan 8.210 nan 0.000 0.421 428 A N 5.501 128.460 122.820 0.231 0.000 2.324 428 A HA 0.851 5.171 4.320 -0.000 0.000 0.330 428 A C -0.976 176.748 177.584 0.232 0.000 1.165 428 A CA -0.505 51.679 52.037 0.245 0.000 0.813 428 A CB 1.421 20.610 19.000 0.316 0.000 1.197 428 A HN 0.406 nan 8.150 nan 0.000 0.484 429 V N 2.732 122.748 119.914 0.170 0.000 2.487 429 V HA 0.735 4.855 4.120 -0.000 0.000 0.298 429 V C -1.013 175.111 176.094 0.049 0.000 1.028 429 V CA -0.239 62.021 62.300 -0.068 0.000 0.860 429 V CB 0.650 32.289 31.823 -0.307 0.000 0.991 429 V HN 0.897 nan 8.190 nan 0.000 0.427 430 F N 1.300 121.133 119.950 -0.194 0.000 2.665 430 F HA 0.718 5.245 4.527 -0.000 0.000 0.308 430 F C -0.774 174.967 175.800 -0.099 0.000 1.112 430 F CA -1.077 56.891 58.000 -0.054 0.000 0.972 430 F CB 1.451 40.460 39.000 0.016 0.000 1.295 430 F HN 0.465 nan 8.300 nan 0.000 0.440 431 E N 2.351 122.667 120.200 0.193 0.000 2.248 431 E HA 0.724 5.074 4.350 -0.000 0.000 0.272 431 E C -0.960 175.757 176.600 0.195 0.000 1.008 431 E CA -0.902 55.533 56.400 0.058 0.000 0.856 431 E CB 1.412 31.245 29.700 0.222 0.000 1.120 431 E HN 0.845 nan 8.360 nan 0.000 0.397 432 R N 2.209 122.782 120.500 0.123 0.000 2.680 432 R HA 0.215 4.555 4.340 -0.000 0.000 0.269 432 R C -1.542 174.843 176.300 0.141 0.000 1.026 432 R CA -0.975 55.231 56.100 0.177 0.000 0.889 432 R CB 0.430 30.847 30.300 0.194 0.000 1.241 432 R HN 0.569 nan 8.270 nan 0.000 0.463 433 Y N 1.367 121.702 120.300 0.059 0.000 2.377 433 Y HA 0.463 5.013 4.550 -0.000 0.000 0.330 433 Y C -0.493 175.409 175.900 0.004 0.000 1.108 433 Y CA 0.165 58.285 58.100 0.034 0.000 1.308 433 Y CB 1.247 39.722 38.460 0.025 0.000 1.216 433 Y HN 0.814 nan 8.280 nan 0.000 0.518 434 A N 5.607 127.978 122.820 -0.749 0.000 3.129 434 A HA 0.620 4.940 4.320 -0.000 0.000 0.282 434 A C 0.595 177.771 177.584 -0.680 0.000 0.948 434 A CA 0.053 51.759 52.037 -0.552 0.000 1.027 434 A CB -0.807 18.001 19.000 -0.321 0.000 1.123 434 A HN 1.797 nan 8.150 nan 0.000 0.485 435 G N 0.882 108.932 108.800 -1.250 0.000 2.741 435 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.222 435 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.222 435 G C -3.023 171.647 174.900 -0.385 0.000 1.364 435 G CA -0.419 44.346 45.100 -0.558 0.000 0.866 435 G HN 0.495 nan 8.290 nan 0.000 0.555 436 P HA 0.300 nan 4.420 nan 0.000 0.276 436 P C 0.502 177.738 177.300 -0.106 0.000 1.235 436 P CA 0.011 63.072 63.100 -0.064 0.000 0.772 436 P CB 1.628 33.331 31.700 0.004 0.000 0.871 437 E N 4.110 124.207 120.200 -0.172 0.000 2.077 437 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 437 E C -0.025 176.544 176.600 -0.052 0.000 0.989 437 E CA 1.731 58.030 56.400 -0.167 0.000 0.800 437 E CB -0.318 29.215 29.700 -0.279 0.000 0.746 437 E HN 0.570 nan 8.360 nan 0.000 0.452 438 Y N -2.854 117.451 120.300 0.007 0.000 2.677 438 Y HA 0.639 5.188 4.550 -0.000 0.000 0.334 438 Y C -1.156 174.760 175.900 0.027 0.000 1.196 438 Y CA -1.779 56.327 58.100 0.010 0.000 1.059 438 Y CB 0.652 39.113 38.460 0.001 0.000 1.315 438 Y HN -0.120 nan 8.280 nan 0.000 0.455 439 K N 1.289 121.898 120.400 0.348 0.000 2.572 439 K HA 0.513 4.833 4.320 -0.000 0.000 0.263 439 K C -2.659 174.091 176.600 0.250 0.000 0.932 439 K CA -0.772 55.670 56.287 0.258 0.000 0.838 439 K CB 2.105 34.687 32.500 0.136 0.000 1.366 439 K HN 1.045 nan 8.250 nan 0.000 0.425 440 H N 2.121 121.246 119.070 0.091 0.000 3.181 440 H HA 0.250 4.806 4.556 -0.000 0.000 0.331 440 H C -1.813 173.535 175.328 0.034 0.000 0.988 440 H CA -0.302 55.771 56.048 0.041 0.000 1.449 440 H CB 1.697 31.465 29.762 0.009 0.000 1.749 440 H HN 0.547 nan 8.280 nan 0.000 0.501 441 Q N 3.755 123.254 119.800 -0.501 0.000 2.509 441 Q HA 0.243 4.583 4.340 -0.000 0.000 0.236 441 Q C -0.820 174.816 176.000 -0.606 0.000 1.073 441 Q CA -0.771 54.798 55.803 -0.389 0.000 0.867 441 Q CB 0.615 29.252 28.738 -0.168 0.000 1.181 441 Q HN 0.619 nan 8.270 nan 0.000 0.526 442 E N 3.154 122.952 120.200 -0.670 0.000 2.376 442 E HA 0.129 4.479 4.350 -0.000 0.000 0.266 442 E C -0.609 175.904 176.600 -0.144 0.000 1.009 442 E CA -0.286 55.911 56.400 -0.338 0.000 0.902 442 E CB 0.433 30.092 29.700 -0.067 0.000 0.972 442 E HN 0.716 nan 8.360 nan 0.000 0.439 443 M N 4.768 124.325 119.600 -0.072 0.000 2.290 443 M HA 0.149 4.629 4.480 -0.000 0.000 0.356 443 M C 1.106 177.388 176.300 -0.030 0.000 1.448 443 M CA 1.822 57.097 55.300 -0.041 0.000 0.993 443 M CB -0.210 32.381 32.600 -0.014 0.000 1.934 443 M HN 0.725 nan 8.290 nan 0.000 0.461 444 G N 2.416 111.199 108.800 -0.029 0.000 2.155 444 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.257 444 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.257 444 G C -0.067 174.820 174.900 -0.020 0.000 0.983 444 G CA 0.296 45.384 45.100 -0.019 0.000 0.676 444 G HN 0.684 nan 8.290 nan 0.000 0.528 445 Q N -0.526 119.255 119.800 -0.032 0.000 2.458 445 Q HA 0.552 4.891 4.340 -0.000 0.000 0.282 445 Q C -2.595 173.387 176.000 -0.031 0.000 1.106 445 Q CA -1.867 53.921 55.803 -0.025 0.000 0.814 445 Q CB 1.600 30.324 28.738 -0.023 0.000 1.425 445 Q HN 0.149 nan 8.270 nan 0.000 0.437 446 P HA 0.008 nan 4.420 nan 0.000 0.268 446 P C -0.075 177.211 177.300 -0.022 0.000 1.204 446 P CA -0.004 63.087 63.100 -0.015 0.000 0.768 446 P CB 0.477 32.175 31.700 -0.004 0.000 0.842 447 N N 1.687 120.372 118.700 -0.024 0.000 2.415 447 N HA 0.107 4.847 4.740 -0.000 0.000 0.248 447 N C -1.175 174.341 175.510 0.010 0.000 1.271 447 N CA -0.098 52.936 53.050 -0.027 0.000 0.913 447 N CB 0.493 38.969 38.487 -0.018 0.000 1.129 447 N HN 0.042 nan 8.380 nan 0.000 0.444 448 V N 1.669 121.604 119.914 0.035 0.000 2.443 448 V HA 0.370 4.489 4.120 -0.000 0.000 0.293 448 V C -0.706 175.471 176.094 0.138 0.000 1.021 448 V CA -0.504 61.855 62.300 0.099 0.000 0.848 448 V CB 1.261 33.165 31.823 0.136 0.000 0.998 448 V HN 0.669 nan 8.190 nan 0.000 0.424 449 S N 2.552 118.315 115.700 0.104 0.000 2.541 449 S HA 0.840 5.310 4.470 -0.000 0.000 0.271 449 S C -0.385 174.189 174.600 -0.044 0.000 1.133 449 S CA -0.676 57.560 58.200 0.060 0.000 0.876 449 S CB 2.425 65.645 63.200 0.034 0.000 1.105 449 S HN 0.939 nan 8.310 nan 0.000 0.470 450 T N -0.743 113.680 114.554 -0.218 0.000 2.903 450 T HA 0.678 5.028 4.350 -0.000 0.000 0.299 450 T C -1.008 173.571 174.700 -0.201 0.000 1.093 450 T CA -1.038 60.898 62.100 -0.273 0.000 1.002 450 T CB 1.585 70.124 68.868 -0.548 0.000 1.127 450 T HN 0.663 nan 8.240 nan 0.000 0.488 451 E N 1.575 121.723 120.200 -0.086 0.000 2.277 451 E HA 0.426 4.776 4.350 -0.000 0.000 0.274 451 E C -0.355 176.196 176.600 -0.082 0.000 1.022 451 E CA -1.093 55.303 56.400 -0.007 0.000 0.853 451 E CB 1.559 31.382 29.700 0.204 0.000 1.086 451 E HN 0.698 nan 8.360 nan 0.000 0.397 452 R N 2.007 122.419 120.500 -0.148 0.000 2.297 452 R HA 0.239 4.579 4.340 -0.000 0.000 0.308 452 R C -0.678 175.573 176.300 -0.082 0.000 1.029 452 R CA -0.577 55.452 56.100 -0.119 0.000 0.929 452 R CB 0.744 30.941 30.300 -0.172 0.000 1.046 452 R HN 0.470 nan 8.270 nan 0.000 0.461 453 R N 3.144 123.681 120.500 0.061 0.000 2.599 453 R HA 0.354 4.694 4.340 -0.000 0.000 0.295 453 R C -0.885 175.580 176.300 0.275 0.000 0.963 453 R CA -0.711 55.506 56.100 0.194 0.000 0.883 453 R CB 1.984 32.503 30.300 0.364 0.000 1.171 453 R HN 0.746 nan 8.270 nan 0.000 0.450 454 E N 1.310 121.573 120.200 0.104 0.000 2.288 454 E HA 0.403 4.753 4.350 -0.000 0.000 0.268 454 E C -1.091 175.297 176.600 -0.353 0.000 0.885 454 E CA -1.086 55.265 56.400 -0.082 0.000 0.767 454 E CB 2.672 32.189 29.700 -0.305 0.000 1.220 454 E HN 0.110 nan 8.360 nan 0.000 0.427 455 L N 2.862 123.680 121.223 -0.675 0.000 2.305 455 L HA 0.441 4.781 4.340 -0.000 0.000 0.284 455 L C -1.451 175.069 176.870 -0.584 0.000 1.013 455 L CA -0.573 53.699 54.840 -0.947 0.000 0.819 455 L CB 1.449 42.530 42.059 -1.629 0.000 1.227 455 L HN 0.292 nan 8.230 nan 0.000 0.417 456 V N 5.243 124.702 119.914 -0.759 0.000 2.667 456 V HA 0.563 4.683 4.120 -0.000 0.000 0.308 456 V C -0.536 175.238 176.094 -0.534 0.000 1.048 456 V CA -0.783 61.105 62.300 -0.685 0.000 0.928 456 V CB 2.038 33.142 31.823 -1.198 0.000 1.004 456 V HN 0.457 nan 8.190 nan 0.000 0.444 457 V N 4.528 124.338 119.914 -0.173 0.000 2.326 457 V HA 0.499 4.619 4.120 -0.000 0.000 0.281 457 V C -0.014 176.196 176.094 0.193 0.000 1.015 457 V CA -0.524 61.788 62.300 0.019 0.000 0.823 457 V CB 1.309 33.189 31.823 0.094 0.000 1.009 457 V HN 0.853 nan 8.190 nan 0.000 0.436 458 R N 3.794 124.447 120.500 0.255 0.000 2.445 458 R HA 0.538 4.878 4.340 -0.000 0.000 0.308 458 R C -1.852 174.719 176.300 0.452 0.000 0.961 458 R CA -0.598 55.738 56.100 0.393 0.000 0.862 458 R CB 1.648 32.224 30.300 0.461 0.000 1.144 458 R HN 0.640 nan 8.270 nan 0.000 0.447 459 W N 6.855 128.331 121.300 0.293 0.000 2.839 459 W HA 0.521 5.181 4.660 -0.000 0.000 0.334 459 W C -1.807 174.897 176.519 0.310 0.000 1.064 459 W CA -0.797 56.710 57.345 0.270 0.000 1.236 459 W CB 1.076 30.697 29.460 0.268 0.000 1.405 459 W HN 0.410 nan 8.180 nan 0.000 0.478 460 I N 5.481 125.826 120.570 -0.375 0.000 2.465 460 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 460 I C -0.211 175.495 176.117 -0.685 0.000 1.014 460 I CA -0.936 60.097 61.300 -0.445 0.000 1.093 460 I CB 1.951 39.844 38.000 -0.178 0.000 1.267 460 I HN 0.349 nan 8.210 nan 0.000 0.431 461 S N 3.788 119.119 115.700 -0.615 0.000 2.532 461 S HA 0.595 5.065 4.470 -0.000 0.000 0.299 461 S C -0.636 173.891 174.600 -0.122 0.000 1.105 461 S CA -0.295 57.698 58.200 -0.344 0.000 1.018 461 S CB 1.437 64.447 63.200 -0.317 0.000 1.021 461 S HN 0.586 nan 8.310 nan 0.000 0.483 462 T N 3.880 118.393 114.554 -0.069 0.000 2.807 462 T HA 0.536 4.886 4.350 -0.000 0.000 0.279 462 T C -0.923 173.756 174.700 -0.036 0.000 0.993 462 T CA -0.469 61.569 62.100 -0.103 0.000 0.970 462 T CB 1.314 70.108 68.868 -0.125 0.000 0.950 462 T HN 0.457 nan 8.240 nan 0.000 0.441 463 V N 3.572 123.456 119.914 -0.049 0.000 2.327 463 V HA 0.636 4.756 4.120 -0.000 0.000 0.272 463 V C 1.027 177.054 176.094 -0.111 0.000 1.019 463 V CA 0.060 62.343 62.300 -0.029 0.000 0.814 463 V CB 0.105 31.968 31.823 0.067 0.000 1.040 463 V HN 1.253 nan 8.190 nan 0.000 0.440 464 G N 5.974 114.748 108.800 -0.044 0.000 2.557 464 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.292 464 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.292 464 G C 0.170 174.984 174.900 -0.144 0.000 1.162 464 G CA 0.701 45.843 45.100 0.071 0.000 0.964 464 G HN 1.026 nan 8.290 nan 0.000 0.541 468 Y N 1.093 121.226 120.300 -0.277 0.000 2.364 468 Y HA 0.674 5.224 4.550 -0.000 0.000 0.340 468 Y C -0.030 175.574 175.900 -0.494 0.000 0.975 468 Y CA -0.849 57.022 58.100 -0.380 0.000 1.089 468 Y CB 1.394 39.772 38.460 -0.137 0.000 1.192 468 Y HN 0.272 nan 8.280 nan 0.000 0.454 469 I N 4.256 124.497 120.570 -0.548 0.000 2.436 469 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 469 I C -1.304 174.486 176.117 -0.544 0.000 1.010 469 I CA -0.599 60.445 61.300 -0.427 0.000 1.098 469 I CB 1.190 38.936 38.000 -0.423 0.000 1.266 469 I HN 0.356 nan 8.210 nan 0.000 0.434 470 F N 3.680 123.712 119.950 0.136 0.000 2.467 470 F HA 0.443 4.970 4.527 -0.000 0.000 0.336 470 F C -0.247 175.732 175.800 0.299 0.000 1.123 470 F CA -0.771 57.384 58.000 0.258 0.000 0.964 470 F CB 1.361 40.678 39.000 0.528 0.000 1.136 470 F HN 0.302 nan 8.300 nan 0.000 0.447 471 D N 2.408 122.965 120.400 0.261 0.000 2.391 471 D HA 0.232 4.872 4.640 -0.000 0.000 0.245 471 D C -1.348 174.877 176.300 -0.125 0.000 1.069 471 D CA -0.258 53.834 54.000 0.155 0.000 0.831 471 D CB 1.285 42.112 40.800 0.045 0.000 1.204 471 D HN 0.353 nan 8.370 nan 0.000 0.503 472 W N 2.845 124.065 121.300 -0.132 0.000 2.294 472 W HA 0.480 5.140 4.660 -0.000 0.000 0.314 472 W C -0.018 176.238 176.519 -0.439 0.000 1.044 472 W CA -0.586 56.555 57.345 -0.340 0.000 1.284 472 W CB 0.623 29.897 29.460 -0.311 0.000 1.231 472 W HN 0.135 nan 8.180 nan 0.000 0.419 473 I N 4.570 124.901 120.570 -0.399 0.000 2.354 473 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 473 I C -0.844 175.032 176.117 -0.402 0.000 1.007 473 I CA -0.867 60.222 61.300 -0.352 0.000 1.167 473 I CB 0.462 38.317 38.000 -0.242 0.000 1.320 473 I HN 0.106 nan 8.210 nan 0.000 0.458 474 F N 4.731 124.485 119.950 -0.326 0.000 2.391 474 F HA 0.366 4.893 4.527 -0.000 0.000 0.359 474 F C 0.911 176.797 175.800 0.142 0.000 1.122 474 F CA -0.279 57.509 58.000 -0.352 0.000 1.120 474 F CB 0.421 38.917 39.000 -0.841 0.000 1.142 474 F HN 0.399 nan 8.300 nan 0.000 0.483 475 H N 2.748 122.031 119.070 0.355 0.000 2.481 475 H HA 0.132 4.688 4.556 -0.000 0.000 0.339 475 H C 0.713 176.514 175.328 0.790 0.000 1.131 475 H CA -0.525 55.798 56.048 0.458 0.000 1.301 475 H CB 1.447 31.373 29.762 0.274 0.000 1.476 475 H HN 0.721 nan 8.280 nan 0.000 0.529 476 E N 1.311 121.924 120.200 0.689 0.000 2.118 476 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 476 E C 1.252 178.076 176.600 0.373 0.000 0.992 476 E CA 1.104 57.761 56.400 0.428 0.000 0.804 476 E CB -0.030 29.734 29.700 0.106 0.000 0.741 476 E HN 0.668 nan 8.360 nan 0.000 0.458 477 N N -0.770 118.128 118.700 0.331 0.000 2.515 477 N HA -0.043 4.697 4.740 -0.000 0.000 0.191 477 N C 1.138 176.727 175.510 0.131 0.000 1.182 477 N CA 0.538 53.678 53.050 0.150 0.000 0.879 477 N CB 0.633 39.173 38.487 0.088 0.000 0.984 477 N HN 0.169 nan 8.380 nan 0.000 0.453 478 G N -0.208 108.861 108.800 0.447 0.000 2.232 478 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.226 478 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.226 478 G C 0.228 175.515 174.900 0.645 0.000 0.996 478 G CA 0.197 45.555 45.100 0.430 0.000 0.626 478 G HN 0.418 nan 8.290 nan 0.000 0.509 479 T N 1.172 115.944 114.554 0.363 0.000 2.898 479 T HA 0.598 4.948 4.350 -0.000 0.000 0.301 479 T C 0.298 175.034 174.700 0.061 0.000 1.049 479 T CA 0.475 62.616 62.100 0.069 0.000 1.095 479 T CB 1.468 70.054 68.868 -0.471 0.000 0.976 479 T HN 0.337 nan 8.240 nan 0.000 0.539 480 I N 1.378 121.900 120.570 -0.081 0.000 2.499 480 I HA 0.517 4.687 4.170 -0.000 0.000 0.288 480 I C 0.518 176.471 176.117 -0.273 0.000 1.048 480 I CA -0.704 60.447 61.300 -0.248 0.000 1.062 480 I CB 1.962 39.752 38.000 -0.349 0.000 1.238 480 I HN 0.714 nan 8.210 nan 0.000 0.426 481 G N 6.596 115.247 108.800 -0.249 0.000 2.454 481 G HA2 0.852 4.811 3.960 -0.000 0.000 0.329 481 G HA3 0.852 4.811 3.960 -0.000 0.000 0.329 481 G C -0.947 173.700 174.900 -0.421 0.000 1.177 481 G CA -0.486 44.479 45.100 -0.225 0.000 0.951 481 G HN 0.491 nan 8.290 nan 0.000 0.485 482 I N 1.390 121.660 120.570 -0.500 0.000 2.529 482 I HA 0.272 4.441 4.170 -0.000 0.000 0.284 482 I C -1.525 174.262 176.117 -0.550 0.000 1.088 482 I CA -0.725 60.074 61.300 -0.835 0.000 1.062 482 I CB 2.234 39.396 38.000 -1.396 0.000 1.218 482 I HN 0.229 nan 8.210 nan 0.000 0.442 483 D N 4.620 124.805 120.400 -0.359 0.000 2.350 483 D HA 0.807 5.447 4.640 -0.000 0.000 0.238 483 D C -0.676 175.594 176.300 -0.050 0.000 0.989 483 D CA -0.335 53.599 54.000 -0.110 0.000 0.921 483 D CB 2.490 43.315 40.800 0.041 0.000 1.297 483 D HN 0.584 nan 8.370 nan 0.000 0.490 484 A N 0.447 123.190 122.820 -0.128 0.000 2.359 484 A HA 0.742 5.062 4.320 -0.000 0.000 0.303 484 A C -0.098 177.088 177.584 -0.663 0.000 1.066 484 A CA -0.649 51.036 52.037 -0.586 0.000 0.730 484 A CB 1.464 19.885 19.000 -0.966 0.000 1.211 484 A HN 0.476 nan 8.150 nan 0.000 0.439 485 G N 0.441 108.587 108.800 -1.090 0.000 2.420 485 G HA2 0.749 4.709 3.960 -0.000 0.000 0.331 485 G HA3 0.749 4.709 3.960 -0.000 0.000 0.331 485 G C -0.449 173.936 174.900 -0.858 0.000 1.168 485 G CA 0.027 44.211 45.100 -1.526 0.000 0.936 485 G HN 1.628 nan 8.290 nan 0.000 0.479 486 A N 1.064 123.483 122.820 -0.668 0.000 2.343 486 A HA 0.886 5.206 4.320 -0.000 0.000 0.308 486 A C -0.151 177.152 177.584 -0.469 0.000 1.092 486 A CA -0.387 51.379 52.037 -0.452 0.000 0.751 486 A CB 2.095 20.878 19.000 -0.362 0.000 1.203 486 A HN 1.089 nan 8.150 nan 0.000 0.452 487 T N 0.487 114.768 114.554 -0.454 0.000 2.618 487 T HA 0.865 5.215 4.350 -0.000 0.000 0.293 487 T C 0.272 174.743 174.700 -0.382 0.000 1.093 487 T CA 0.942 62.823 62.100 -0.365 0.000 1.061 487 T CB 1.034 69.702 68.868 -0.333 0.000 1.498 487 T HN 2.710 nan 8.240 nan 0.000 0.494 488 G N 0.531 109.115 108.800 -0.359 0.000 2.337 488 G HA2 0.131 4.090 3.960 -0.000 0.000 0.197 488 G HA3 0.131 4.090 3.960 -0.000 0.000 0.197 488 G C -1.802 172.847 174.900 -0.420 0.000 1.238 488 G CA -0.259 44.578 45.100 -0.439 0.000 1.119 488 G HN 0.819 nan 8.290 nan 0.000 0.514 489 I N 1.422 121.690 120.570 -0.504 0.000 2.406 489 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 489 I C 0.600 176.578 176.117 -0.232 0.000 0.999 489 I CA -1.061 59.977 61.300 -0.437 0.000 1.124 489 I CB 1.076 38.622 38.000 -0.756 0.000 1.289 489 I HN 0.679 nan 8.210 nan 0.000 0.441 490 E N 2.975 123.236 120.200 0.101 0.000 2.390 490 E HA 0.419 4.769 4.350 -0.000 0.000 0.261 490 E C -0.059 176.663 176.600 0.203 0.000 1.076 490 E CA -0.424 56.085 56.400 0.182 0.000 0.905 490 E CB 0.996 30.873 29.700 0.295 0.000 0.984 490 E HN 0.712 nan 8.360 nan 0.000 0.427 491 A N 2.799 125.738 122.820 0.200 0.000 2.395 491 A HA 0.307 4.627 4.320 -0.000 0.000 0.286 491 A C -0.060 177.791 177.584 0.445 0.000 1.193 491 A CA -0.499 51.724 52.037 0.309 0.000 0.852 491 A CB -0.459 18.678 19.000 0.228 0.000 1.118 491 A HN 0.366 nan 8.150 nan 0.000 0.524 492 V N 0.554 120.745 119.914 0.461 0.000 2.994 492 V HA 0.691 4.811 4.120 -0.000 0.000 0.318 492 V C -0.142 176.256 176.094 0.508 0.000 1.085 492 V CA -1.141 61.352 62.300 0.322 0.000 0.998 492 V CB 1.616 33.413 31.823 -0.042 0.000 1.063 492 V HN 0.789 nan 8.190 nan 0.000 0.447 493 K N 1.614 122.166 120.400 0.253 0.000 2.235 493 K HA 0.648 4.968 4.320 -0.000 0.000 0.266 493 K C 0.204 176.884 176.600 0.133 0.000 0.980 493 K CA -0.214 56.240 56.287 0.279 0.000 0.849 493 K CB 1.277 33.699 32.500 -0.131 0.000 1.098 493 K HN 1.199 nan 8.250 nan 0.000 0.445 494 G N 2.332 111.237 108.800 0.174 0.000 2.403 494 G HA2 0.435 4.395 3.960 -0.000 0.000 0.259 494 G HA3 0.435 4.395 3.960 -0.000 0.000 0.259 494 G C -0.573 174.367 174.900 0.067 0.000 1.244 494 G CA -0.386 44.778 45.100 0.106 0.000 0.849 494 G HN 0.507 nan 8.290 nan 0.000 0.532 495 V N -0.197 119.740 119.914 0.038 0.000 3.159 495 V HA 0.581 4.701 4.120 -0.000 0.000 0.308 495 V C 0.693 176.804 176.094 0.027 0.000 1.190 495 V CA -1.145 61.168 62.300 0.021 0.000 1.037 495 V CB 2.064 33.880 31.823 -0.013 0.000 1.060 495 V HN 0.677 nan 8.190 nan 0.000 0.437 496 K N 1.235 121.647 120.400 0.021 0.000 2.228 496 K HA 0.343 4.663 4.320 -0.000 0.000 0.202 496 K C 1.049 177.663 176.600 0.023 0.000 1.051 496 K CA 1.125 57.426 56.287 0.024 0.000 0.960 496 K CB 0.037 32.548 32.500 0.018 0.000 0.743 496 K HN 0.957 nan 8.250 nan 0.000 0.458 497 A N 1.817 124.645 122.820 0.013 0.000 2.462 497 A HA 0.031 4.351 4.320 -0.000 0.000 0.243 497 A C 0.617 178.226 177.584 0.042 0.000 1.076 497 A CA 0.176 52.223 52.037 0.016 0.000 0.773 497 A CB 0.405 19.402 19.000 -0.005 0.000 1.010 497 A HN 0.173 nan 8.150 nan 0.000 0.493 498 K N -0.183 120.252 120.400 0.058 0.000 2.313 498 K HA 0.100 4.420 4.320 -0.000 0.000 0.197 498 K C 0.544 177.277 176.600 0.221 0.000 1.061 498 K CA 1.262 57.626 56.287 0.129 0.000 0.980 498 K CB 0.398 32.890 32.500 -0.014 0.000 0.888 498 K HN 0.917 nan 8.250 nan 0.000 0.502 499 T N -3.018 111.590 114.554 0.090 0.000 2.841 499 T HA 0.263 4.612 4.350 -0.000 0.000 0.296 499 T C 0.520 175.172 174.700 -0.080 0.000 1.166 499 T CA -0.841 61.277 62.100 0.030 0.000 1.007 499 T CB 1.271 70.165 68.868 0.043 0.000 1.253 499 T HN -0.272 nan 8.240 nan 0.000 0.511 500 M N 0.943 120.413 119.600 -0.217 0.000 2.686 500 M HA 0.043 4.523 4.480 -0.000 0.000 0.246 500 M C 1.107 177.260 176.300 -0.245 0.000 1.096 500 M CA 0.820 55.981 55.300 -0.232 0.000 1.076 500 M CB -1.426 31.020 32.600 -0.256 0.000 1.504 500 M HN 0.628 nan 8.290 nan 0.000 0.524 501 H N -0.715 118.360 119.070 0.007 0.000 2.553 501 H HA 0.199 4.755 4.556 -0.000 0.000 0.265 501 H C 0.004 175.332 175.328 -0.001 0.000 0.964 501 H CA -0.027 56.022 56.048 0.003 0.000 1.156 501 H CB 0.203 29.969 29.762 0.006 0.000 1.411 501 H HN 0.244 nan 8.280 nan 0.000 0.558 502 D N 0.775 121.219 120.400 0.073 0.000 2.329 502 D HA 0.022 4.662 4.640 -0.000 0.000 0.246 502 D C 1.345 177.658 176.300 0.023 0.000 1.111 502 D CA -0.192 53.835 54.000 0.045 0.000 0.941 502 D CB 1.438 42.255 40.800 0.027 0.000 1.169 502 D HN 0.158 nan 8.370 nan 0.000 0.441 503 E N -0.152 120.058 120.200 0.017 0.000 2.048 503 E HA -0.199 4.151 4.350 -0.000 0.000 0.202 503 E C 1.494 178.091 176.600 -0.005 0.000 1.021 503 E CA 1.935 58.339 56.400 0.006 0.000 0.825 503 E CB 0.005 29.709 29.700 0.006 0.000 0.756 503 E HN 0.576 nan 8.360 nan 0.000 0.454 504 T N -1.674 112.875 114.554 -0.007 0.000 3.148 504 T HA 0.290 4.640 4.350 -0.000 0.000 0.253 504 T C 1.695 176.376 174.700 -0.032 0.000 1.134 504 T CA 0.449 62.538 62.100 -0.018 0.000 1.051 504 T CB 0.273 69.134 68.868 -0.011 0.000 0.959 504 T HN 0.178 nan 8.240 nan 0.000 0.525 505 A N 2.438 125.239 122.820 -0.031 0.000 1.917 505 A HA -0.159 4.160 4.320 -0.000 0.000 0.219 505 A C 2.412 179.953 177.584 -0.071 0.000 1.182 505 A CA 1.828 53.834 52.037 -0.050 0.000 0.633 505 A CB -0.715 18.251 19.000 -0.057 0.000 0.819 505 A HN 0.515 nan 8.150 nan 0.000 0.448 506 K N -0.712 119.648 120.400 -0.066 0.000 2.009 506 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 506 K C 1.487 178.018 176.600 -0.114 0.000 1.049 506 K CA 1.840 58.076 56.287 -0.086 0.000 0.929 506 K CB -0.311 32.146 32.500 -0.071 0.000 0.714 506 K HN 0.445 nan 8.250 nan 0.000 0.440 507 D N 0.891 121.234 120.400 -0.095 0.000 2.144 507 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 507 D C 1.470 177.698 176.300 -0.121 0.000 0.978 507 D CA 0.996 54.929 54.000 -0.112 0.000 0.833 507 D CB -0.226 40.537 40.800 -0.063 0.000 0.961 507 D HN 0.221 nan 8.370 nan 0.000 0.470 508 D N -0.357 119.989 120.400 -0.090 0.000 2.264 508 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 508 D C 1.638 177.866 176.300 -0.120 0.000 0.966 508 D CA 1.006 54.957 54.000 -0.083 0.000 0.864 508 D CB -0.068 40.697 40.800 -0.059 0.000 0.933 508 D HN 0.298 nan 8.370 nan 0.000 0.499 509 T N -2.905 111.559 114.554 -0.150 0.000 3.174 509 T HA 0.193 4.543 4.350 -0.000 0.000 0.269 509 T C 1.447 176.000 174.700 -0.244 0.000 1.017 509 T CA -0.513 61.486 62.100 -0.169 0.000 0.899 509 T CB 0.526 69.311 68.868 -0.138 0.000 1.077 509 T HN -0.043 nan 8.240 nan 0.000 0.552 510 R N 0.371 120.643 120.500 -0.379 0.000 2.120 510 R HA -0.040 4.300 4.340 -0.000 0.000 0.234 510 R C 0.449 176.350 176.300 -0.665 0.000 1.123 510 R CA 1.355 57.089 56.100 -0.610 0.000 0.975 510 R CB -0.134 29.584 30.300 -0.970 0.000 0.866 510 R HN 0.541 nan 8.270 nan 0.000 0.446 511 Y N -1.213 118.998 120.300 -0.148 0.000 2.636 511 Y HA 0.500 5.050 4.550 -0.000 0.000 0.260 511 Y C 0.434 176.218 175.900 -0.192 0.000 1.177 511 Y CA -0.012 57.987 58.100 -0.168 0.000 1.209 511 Y CB 1.418 39.763 38.460 -0.191 0.000 1.166 511 Y HN 0.158 nan 8.280 nan 0.000 0.531 512 G N -0.937 107.801 108.800 -0.104 0.000 2.387 512 G HA2 0.339 4.299 3.960 -0.000 0.000 0.294 512 G HA3 0.339 4.299 3.960 -0.000 0.000 0.294 512 G C -1.171 173.646 174.900 -0.138 0.000 1.509 512 G CA -0.964 44.059 45.100 -0.129 0.000 0.806 512 G HN -0.175 nan 8.290 nan 0.000 0.546 513 T N 0.707 115.181 114.554 -0.132 0.000 2.910 513 T HA 0.372 4.722 4.350 -0.000 0.000 0.293 513 T C 0.292 174.911 174.700 -0.135 0.000 1.015 513 T CA -0.153 61.876 62.100 -0.119 0.000 1.094 513 T CB 1.449 70.260 68.868 -0.095 0.000 0.968 513 T HN 0.612 nan 8.240 nan 0.000 0.521 514 L N 5.251 126.400 121.223 -0.124 0.000 2.385 514 L HA 0.313 4.653 4.340 -0.000 0.000 0.285 514 L C 0.988 177.771 176.870 -0.146 0.000 1.125 514 L CA 0.025 54.785 54.840 -0.134 0.000 0.890 514 L CB -0.641 41.355 42.059 -0.105 0.000 1.251 514 L HN 0.725 nan 8.230 nan 0.000 0.445 515 I N -0.227 120.216 120.570 -0.211 0.000 3.603 515 I HA 0.363 4.533 4.170 -0.000 0.000 0.297 515 I C -0.113 175.852 176.117 -0.254 0.000 1.269 515 I CA 0.214 61.386 61.300 -0.214 0.000 1.361 515 I CB 0.176 38.046 38.000 -0.216 0.000 1.063 515 I HN 0.482 nan 8.210 nan 0.000 0.448 516 D N -0.286 119.930 120.400 -0.306 0.000 2.671 516 D HA 0.293 4.933 4.640 -0.000 0.000 0.273 516 D C -1.056 175.129 176.300 -0.192 0.000 1.264 516 D CA -0.536 53.305 54.000 -0.266 0.000 0.788 516 D CB 1.236 41.919 40.800 -0.195 0.000 1.324 516 D HN 0.174 nan 8.370 nan 0.000 0.424 517 H N 1.179 120.261 119.070 0.021 0.000 3.070 517 H HA 0.174 4.730 4.556 -0.000 0.000 0.313 517 H C 0.413 175.747 175.328 0.010 0.000 0.997 517 H CA 0.930 56.989 56.048 0.019 0.000 1.438 517 H CB -0.063 29.730 29.762 0.053 0.000 1.455 517 H HN 0.393 nan 8.280 nan 0.000 0.575 518 N N 0.845 119.610 118.700 0.108 0.000 2.800 518 N HA -0.194 4.546 4.740 -0.000 0.000 0.250 518 N C -1.131 174.381 175.510 0.003 0.000 1.078 518 N CA 0.829 53.914 53.050 0.058 0.000 0.804 518 N CB -0.832 37.714 38.487 0.098 0.000 1.135 518 N HN 0.470 nan 8.380 nan 0.000 0.565 519 I N 0.556 121.077 120.570 -0.081 0.000 2.468 519 I HA 0.377 4.546 4.170 -0.000 0.000 0.285 519 I C -0.524 175.439 176.117 -0.257 0.000 1.039 519 I CA -0.886 60.295 61.300 -0.198 0.000 1.074 519 I CB 1.882 39.663 38.000 -0.365 0.000 1.228 519 I HN -0.240 nan 8.210 nan 0.000 0.436 520 V N 4.744 124.537 119.914 -0.202 0.000 2.459 520 V HA 0.481 4.601 4.120 -0.000 0.000 0.295 520 V C 0.635 176.602 176.094 -0.211 0.000 1.029 520 V CA -0.473 61.704 62.300 -0.206 0.000 0.874 520 V CB 1.932 33.650 31.823 -0.174 0.000 0.985 520 V HN 0.868 nan 8.190 nan 0.000 0.438 521 G N 2.934 111.614 108.800 -0.200 0.000 2.741 521 G HA2 0.275 4.235 3.960 -0.000 0.000 0.301 521 G HA3 0.275 4.235 3.960 -0.000 0.000 0.301 521 G C 0.334 175.173 174.900 -0.101 0.000 0.834 521 G CA -0.157 44.868 45.100 -0.125 0.000 1.683 521 G HN 0.676 nan 8.290 nan 0.000 0.506 522 T N 2.363 116.848 114.554 -0.116 0.000 2.822 522 T HA 0.045 4.395 4.350 -0.000 0.000 0.288 522 T C 1.179 175.934 174.700 0.093 0.000 0.991 522 T CA 0.423 62.442 62.100 -0.134 0.000 1.176 522 T CB 0.371 68.946 68.868 -0.488 0.000 0.951 522 T HN 0.410 nan 8.240 nan 0.000 0.526 523 T N 5.587 120.114 114.554 -0.046 0.000 2.946 523 T HA 0.136 4.486 4.350 -0.000 0.000 0.312 523 T C 0.376 175.000 174.700 -0.127 0.000 1.066 523 T CA 0.121 62.134 62.100 -0.145 0.000 1.138 523 T CB -0.112 68.667 68.868 -0.149 0.000 1.014 523 T HN 0.842 nan 8.240 nan 0.000 0.544 524 H N 0.491 119.326 119.070 -0.391 0.000 2.918 524 H HA 0.514 5.070 4.556 -0.000 0.000 0.303 524 H C -1.176 173.903 175.328 -0.415 0.000 1.380 524 H CA -1.095 54.598 56.048 -0.592 0.000 1.134 524 H CB 1.084 30.016 29.762 -1.383 0.000 1.842 524 H HN 0.508 nan 8.280 nan 0.000 0.533 525 Q N -0.106 119.495 119.800 -0.331 0.000 2.445 525 Q HA 0.380 4.720 4.340 -0.000 0.000 0.281 525 Q C -1.017 174.799 176.000 -0.306 0.000 1.101 525 Q CA -0.991 54.661 55.803 -0.251 0.000 0.833 525 Q CB 2.639 31.316 28.738 -0.101 0.000 1.416 525 Q HN 0.532 nan 8.270 nan 0.000 0.451 526 H N 1.067 120.119 119.070 -0.030 0.000 2.800 526 H HA 0.447 5.003 4.556 -0.000 0.000 0.322 526 H C -1.001 174.143 175.328 -0.306 0.000 0.979 526 H CA -0.256 55.700 56.048 -0.153 0.000 1.277 526 H CB 0.813 30.524 29.762 -0.086 0.000 1.484 526 H HN 0.444 nan 8.280 nan 0.000 0.512 527 I N 4.565 124.974 120.570 -0.269 0.000 2.411 527 I HA 0.189 4.359 4.170 -0.000 0.000 0.284 527 I C -0.750 175.264 176.117 -0.173 0.000 1.012 527 I CA -0.617 60.598 61.300 -0.141 0.000 1.119 527 I CB 0.874 38.852 38.000 -0.037 0.000 1.261 527 I HN 0.363 nan 8.210 nan 0.000 0.448 528 Y N 4.278 124.657 120.300 0.131 0.000 2.419 528 Y HA 0.446 4.996 4.550 -0.000 0.000 0.328 528 Y C 0.213 176.068 175.900 -0.075 0.000 1.162 528 Y CA -0.734 57.358 58.100 -0.013 0.000 1.174 528 Y CB 1.234 39.648 38.460 -0.077 0.000 1.228 528 Y HN 0.502 nan 8.280 nan 0.000 0.473 529 N N 0.918 119.535 118.700 -0.138 0.000 2.295 529 N HA 0.499 5.239 4.740 -0.000 0.000 0.293 529 N C -2.147 173.176 175.510 -0.311 0.000 1.040 529 N CA -0.454 52.540 53.050 -0.094 0.000 0.840 529 N CB 0.869 39.296 38.487 -0.101 0.000 1.468 529 N HN 0.367 nan 8.380 nan 0.000 0.478 530 F N 1.560 121.618 119.950 0.181 0.000 2.427 530 F HA 0.451 4.978 4.527 -0.000 0.000 0.346 530 F C 0.699 176.510 175.800 0.018 0.000 1.120 530 F CA -0.810 57.250 58.000 0.101 0.000 1.033 530 F CB 1.483 40.498 39.000 0.025 0.000 1.126 530 F HN 0.300 nan 8.300 nan 0.000 0.462 531 R N 4.918 125.426 120.500 0.014 0.000 2.207 531 R HA 0.600 4.939 4.340 -0.000 0.000 0.334 531 R C -1.722 174.392 176.300 -0.311 0.000 1.013 531 R CA -0.377 55.394 56.100 -0.548 0.000 0.858 531 R CB 0.334 30.162 30.300 -0.787 0.000 1.094 531 R HN 0.805 nan 8.270 nan 0.000 0.457 532 L N 4.566 125.597 121.223 -0.320 0.000 2.384 532 L HA 0.262 4.602 4.340 -0.000 0.000 0.261 532 L C -0.490 176.289 176.870 -0.151 0.000 1.024 532 L CA -0.877 53.874 54.840 -0.147 0.000 0.899 532 L CB 1.524 43.556 42.059 -0.044 0.000 1.243 532 L HN 0.547 nan 8.230 nan 0.000 0.449 533 D N 4.123 124.452 120.400 -0.119 0.000 2.545 533 D HA 0.173 4.813 4.640 -0.000 0.000 0.227 533 D C -0.019 176.307 176.300 0.043 0.000 1.150 533 D CA 0.075 54.064 54.000 -0.019 0.000 1.046 533 D CB 0.203 41.044 40.800 0.068 0.000 1.098 533 D HN 0.335 nan 8.370 nan 0.000 0.502 534 L N 2.251 123.486 121.223 0.021 0.000 2.416 534 L HA 0.230 4.570 4.340 -0.000 0.000 0.272 534 L C 0.165 177.083 176.870 0.079 0.000 1.161 534 L CA -0.015 54.842 54.840 0.028 0.000 0.845 534 L CB 0.727 42.773 42.059 -0.021 0.000 1.119 534 L HN 0.158 nan 8.230 nan 0.000 0.464 535 D N 2.301 122.775 120.400 0.124 0.000 2.378 535 D HA 0.171 4.811 4.640 -0.000 0.000 0.265 535 D C -0.491 175.866 176.300 0.096 0.000 1.229 535 D CA -0.245 53.826 54.000 0.118 0.000 0.914 535 D CB 1.713 42.630 40.800 0.195 0.000 1.140 535 D HN 0.022 nan 8.370 nan 0.000 0.516 536 V N 2.799 122.776 119.914 0.106 0.000 2.382 536 V HA -0.007 4.113 4.120 -0.000 0.000 0.250 536 V C 0.992 177.219 176.094 0.222 0.000 1.069 536 V CA 0.221 62.651 62.300 0.215 0.000 1.130 536 V CB -0.056 31.926 31.823 0.266 0.000 1.165 536 V HN 0.572 nan 8.190 nan 0.000 0.483 537 D N 3.122 123.680 120.400 0.264 0.000 3.059 537 D HA -0.142 4.498 4.640 -0.000 0.000 0.220 537 D C 0.381 176.648 176.300 -0.054 0.000 1.169 537 D CA 1.836 55.876 54.000 0.066 0.000 0.902 537 D CB -0.966 39.761 40.800 -0.122 0.000 1.116 537 D HN 1.156 nan 8.370 nan 0.000 0.417 538 G N -1.209 107.549 108.800 -0.070 0.000 2.350 538 G HA2 0.261 4.221 3.960 -0.000 0.000 0.304 538 G HA3 0.261 4.221 3.960 -0.000 0.000 0.304 538 G C 0.183 175.035 174.900 -0.080 0.000 1.421 538 G CA 0.445 45.469 45.100 -0.126 0.000 0.934 538 G HN 0.120 nan 8.290 nan 0.000 0.632 539 E N -0.123 120.020 120.200 -0.095 0.000 2.072 539 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 539 E C 0.623 177.212 176.600 -0.019 0.000 0.985 539 E CA 1.105 57.473 56.400 -0.053 0.000 0.801 539 E CB -0.050 29.609 29.700 -0.069 0.000 0.750 539 E HN 0.329 nan 8.360 nan 0.000 0.452 540 N N 2.082 120.771 118.700 -0.018 0.000 2.402 540 N HA 0.128 4.868 4.740 -0.000 0.000 0.252 540 N C -1.011 174.506 175.510 0.013 0.000 1.118 540 N CA 0.039 53.090 53.050 0.001 0.000 0.945 540 N CB 0.741 39.226 38.487 -0.003 0.000 1.147 540 N HN 0.196 nan 8.380 nan 0.000 0.495 541 N N -0.054 118.663 118.700 0.027 0.000 2.761 541 N HA 0.484 5.223 4.740 -0.000 0.000 0.283 541 N C -0.880 174.653 175.510 0.039 0.000 1.377 541 N CA -0.474 52.598 53.050 0.038 0.000 0.791 541 N CB 1.371 39.889 38.487 0.053 0.000 1.540 541 N HN 0.188 nan 8.380 nan 0.000 0.539 542 S N 0.176 115.899 115.700 0.038 0.000 2.546 542 S HA 0.471 4.941 4.470 -0.000 0.000 0.274 542 S C -1.283 173.332 174.600 0.026 0.000 1.121 542 S CA -0.563 57.657 58.200 0.033 0.000 0.887 542 S CB 1.981 65.195 63.200 0.025 0.000 1.094 542 S HN 0.418 nan 8.310 nan 0.000 0.474 543 L N 3.164 124.401 121.223 0.024 0.000 2.265 543 L HA 0.643 4.983 4.340 -0.000 0.000 0.288 543 L C -1.195 175.651 176.870 -0.040 0.000 1.058 543 L CA -0.109 54.734 54.840 0.005 0.000 0.809 543 L CB 0.648 42.725 42.059 0.029 0.000 1.179 543 L HN 0.481 nan 8.230 nan 0.000 0.429 544 V N 5.300 125.160 119.914 -0.089 0.000 2.448 544 V HA 0.787 4.907 4.120 -0.000 0.000 0.295 544 V C 0.237 176.169 176.094 -0.269 0.000 1.025 544 V CA -0.565 61.636 62.300 -0.165 0.000 0.859 544 V CB 1.337 33.077 31.823 -0.138 0.000 0.988 544 V HN 0.946 nan 8.190 nan 0.000 0.431 545 A N 5.993 128.532 122.820 -0.468 0.000 2.303 545 A HA 0.928 5.247 4.320 -0.000 0.000 0.317 545 A C -0.411 176.878 177.584 -0.493 0.000 1.149 545 A CA -0.535 51.172 52.037 -0.551 0.000 0.822 545 A CB 0.859 19.311 19.000 -0.914 0.000 1.131 545 A HN 0.833 nan 8.150 nan 0.000 0.493 546 M N 2.704 122.119 119.600 -0.309 0.000 2.060 546 M HA 0.232 4.712 4.480 -0.000 0.000 0.275 546 M C -1.701 174.538 176.300 -0.101 0.000 0.919 546 M CA -0.401 54.784 55.300 -0.191 0.000 0.970 546 M CB 1.714 34.191 32.600 -0.206 0.000 1.670 546 M HN 0.586 nan 8.290 nan 0.000 0.440 547 D N 5.017 125.406 120.400 -0.018 0.000 2.373 547 D HA 0.374 5.014 4.640 -0.000 0.000 0.227 547 D C -2.485 173.832 176.300 0.029 0.000 1.091 547 D CA -1.400 52.611 54.000 0.018 0.000 0.840 547 D CB 1.289 42.138 40.800 0.081 0.000 1.060 547 D HN 0.146 nan 8.370 nan 0.000 0.502 548 P HA 0.028 nan 4.420 nan 0.000 0.267 548 P C -0.423 176.892 177.300 0.024 0.000 1.209 548 P CA -0.208 62.907 63.100 0.026 0.000 0.763 548 P CB 0.739 32.455 31.700 0.027 0.000 0.816 549 V N 1.176 121.107 119.914 0.028 0.000 3.114 549 V HA 0.525 4.645 4.120 -0.000 0.000 0.308 549 V C -0.499 175.607 176.094 0.020 0.000 1.168 549 V CA -1.164 61.150 62.300 0.022 0.000 1.015 549 V CB 2.075 33.913 31.823 0.025 0.000 1.050 549 V HN 0.098 nan 8.190 nan 0.000 0.433 550 V N 2.506 122.428 119.914 0.015 0.000 2.432 550 V HA 0.499 4.618 4.120 -0.000 0.000 0.275 550 V C 0.268 176.369 176.094 0.011 0.000 1.043 550 V CA -0.177 62.131 62.300 0.013 0.000 0.925 550 V CB 0.873 32.702 31.823 0.010 0.000 0.985 550 V HN 0.937 nan 8.190 nan 0.000 0.466 551 K N 5.036 125.443 120.400 0.012 0.000 2.385 551 K HA 0.530 4.850 4.320 -0.000 0.000 0.248 551 K C -2.808 173.797 176.600 0.008 0.000 0.955 551 K CA -2.073 54.220 56.287 0.010 0.000 0.816 551 K CB 2.511 35.019 32.500 0.013 0.000 1.250 551 K HN 0.296 nan 8.250 nan 0.000 0.434 552 P HA -0.051 nan 4.420 nan 0.000 0.268 552 P C -0.933 176.371 177.300 0.006 0.000 1.204 552 P CA 0.000 63.104 63.100 0.005 0.000 0.768 552 P CB 0.326 32.028 31.700 0.004 0.000 0.842 553 N N 1.625 120.329 118.700 0.006 0.000 2.497 553 N HA 0.096 4.836 4.740 -0.000 0.000 0.271 553 N C 0.334 175.847 175.510 0.005 0.000 1.142 553 N CA -0.155 52.899 53.050 0.006 0.000 0.965 553 N CB 0.474 38.964 38.487 0.005 0.000 1.077 553 N HN 0.361 nan 8.380 nan 0.000 0.462 554 T N -0.102 114.455 114.554 0.005 0.000 3.084 554 T HA 0.280 4.630 4.350 -0.000 0.000 0.270 554 T C 1.030 175.733 174.700 0.004 0.000 1.008 554 T CA -0.194 61.909 62.100 0.005 0.000 0.900 554 T CB 0.426 69.296 68.868 0.005 0.000 1.084 554 T HN 0.450 nan 8.240 nan 0.000 0.538 555 A N 0.964 123.787 122.820 0.005 0.000 2.275 555 A HA 0.726 5.046 4.320 -0.000 0.000 0.212 555 A C 1.438 179.024 177.584 0.003 0.000 1.201 555 A CA 0.297 52.336 52.037 0.004 0.000 0.843 555 A CB -0.701 18.302 19.000 0.004 0.000 0.873 555 A HN 1.421 nan 8.150 nan 0.000 0.492 556 G N -2.426 106.376 108.800 0.003 0.000 2.655 556 G HA2 0.493 4.453 3.960 -0.000 0.000 0.680 556 G HA3 0.493 4.453 3.960 -0.000 0.000 0.680 556 G C 0.633 175.534 174.900 0.002 0.000 1.302 556 G CA -0.151 44.951 45.100 0.002 0.000 0.872 556 G HN 2.456 nan 8.290 nan 0.000 0.540 557 G N -1.294 107.507 108.800 0.002 0.000 2.756 557 G HA2 0.272 4.232 3.960 -0.000 0.000 0.678 557 G HA3 0.272 4.232 3.960 -0.000 0.000 0.678 557 G C -0.859 174.043 174.900 0.002 0.000 1.349 557 G CA 0.513 45.614 45.100 0.002 0.000 0.847 557 G HN 1.335 nan 8.290 nan 0.000 0.548 558 P HA 0.041 nan 4.420 nan 0.000 0.220 558 P C 0.990 178.292 177.300 0.003 0.000 1.148 558 P CA 0.560 63.662 63.100 0.002 0.000 0.803 558 P CB 0.118 31.819 31.700 0.002 0.000 0.782 559 R N 0.106 120.608 120.500 0.003 0.000 2.537 559 R HA 0.073 4.413 4.340 -0.000 0.000 0.280 559 R C 1.439 177.741 176.300 0.004 0.000 1.058 559 R CA 0.740 56.842 56.100 0.004 0.000 1.057 559 R CB -0.036 30.267 30.300 0.004 0.000 0.973 559 R HN 0.205 nan 8.270 nan 0.000 0.438 560 T N -2.299 112.258 114.554 0.004 0.000 3.054 560 T HA 0.007 4.357 4.350 -0.000 0.000 0.259 560 T C 0.912 175.615 174.700 0.005 0.000 1.092 560 T CA 0.443 62.545 62.100 0.004 0.000 1.121 560 T CB 0.162 69.032 68.868 0.003 0.000 0.912 560 T HN 0.540 nan 8.240 nan 0.000 0.489 561 S N 0.594 116.298 115.700 0.005 0.000 2.651 561 S HA 0.721 5.191 4.470 -0.000 0.000 0.279 561 S C -0.584 174.021 174.600 0.008 0.000 1.148 561 S CA -0.324 57.880 58.200 0.007 0.000 0.837 561 S CB 1.947 65.151 63.200 0.007 0.000 1.138 561 S HN 0.709 nan 8.310 nan 0.000 0.478 562 T N -1.476 113.083 114.554 0.010 0.000 2.865 562 T HA 0.690 5.040 4.350 -0.000 0.000 0.294 562 T C -0.817 173.892 174.700 0.014 0.000 1.119 562 T CA -0.988 61.119 62.100 0.011 0.000 1.007 562 T CB 1.286 70.161 68.868 0.012 0.000 1.225 562 T HN 0.693 nan 8.240 nan 0.000 0.515 563 M N 2.066 121.676 119.600 0.017 0.000 2.101 563 M HA 0.456 4.936 4.480 -0.000 0.000 0.340 563 M C -0.240 176.075 176.300 0.026 0.000 1.057 563 M CA -0.491 54.821 55.300 0.021 0.000 0.984 563 M CB 1.503 34.116 32.600 0.022 0.000 1.560 563 M HN 0.635 nan 8.290 nan 0.000 0.435 564 Q N 1.408 121.225 119.800 0.028 0.000 2.892 564 Q HA 0.784 5.124 4.340 -0.000 0.000 0.307 564 Q C -1.355 174.669 176.000 0.040 0.000 1.039 564 Q CA -1.101 54.722 55.803 0.033 0.000 0.792 564 Q CB 3.248 32.003 28.738 0.029 0.000 1.504 564 Q HN 0.478 nan 8.270 nan 0.000 0.487 565 V N 1.382 121.324 119.914 0.046 0.000 2.540 565 V HA 0.303 4.423 4.120 -0.000 0.000 0.302 565 V C -0.660 175.470 176.094 0.060 0.000 1.035 565 V CA -0.846 61.484 62.300 0.050 0.000 0.873 565 V CB 1.792 33.647 31.823 0.053 0.000 0.992 565 V HN 0.618 nan 8.190 nan 0.000 0.428 566 N N 4.107 122.854 118.700 0.078 0.000 2.462 566 N HA 0.219 4.959 4.740 -0.000 0.000 0.242 566 N C -0.603 175.009 175.510 0.170 0.000 1.010 566 N CA -0.066 53.062 53.050 0.130 0.000 0.939 566 N CB 1.375 39.962 38.487 0.167 0.000 1.127 566 N HN 0.788 nan 8.380 nan 0.000 0.509 567 Q N 3.812 123.695 119.800 0.139 0.000 2.293 567 Q HA 0.336 4.676 4.340 -0.000 0.000 0.261 567 Q C -1.627 174.473 176.000 0.168 0.000 0.960 567 Q CA -0.664 55.174 55.803 0.059 0.000 0.882 567 Q CB 0.884 29.631 28.738 0.015 0.000 1.275 567 Q HN 0.568 nan 8.270 nan 0.000 0.445 568 Y N 0.068 120.362 120.300 -0.010 0.000 2.565 568 Y HA 0.435 4.985 4.550 -0.000 0.000 0.330 568 Y C -1.528 174.370 175.900 -0.003 0.000 1.150 568 Y CA -1.527 56.571 58.100 -0.003 0.000 1.055 568 Y CB 0.410 38.869 38.460 -0.002 0.000 1.337 568 Y HN 0.526 nan 8.280 nan 0.000 0.457 569 N N 1.557 120.325 118.700 0.115 0.000 2.525 569 N HA 0.439 5.179 4.740 -0.000 0.000 0.271 569 N C -1.161 174.423 175.510 0.124 0.000 1.194 569 N CA -0.128 52.954 53.050 0.053 0.000 0.964 569 N CB 0.808 39.330 38.487 0.059 0.000 1.126 569 N HN 0.706 nan 8.380 nan 0.000 0.452 570 I N 1.057 121.664 120.570 0.062 0.000 2.371 570 I HA 0.248 4.418 4.170 -0.000 0.000 0.282 570 I C 1.375 177.536 176.117 0.074 0.000 1.031 570 I CA -0.253 61.105 61.300 0.096 0.000 1.180 570 I CB 1.307 39.346 38.000 0.064 0.000 1.336 570 I HN 0.715 nan 8.210 nan 0.000 0.467 571 G N 5.663 114.510 108.800 0.079 0.000 2.511 571 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.217 571 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.217 571 G C 0.397 175.336 174.900 0.065 0.000 1.133 571 G CA 0.059 45.199 45.100 0.066 0.000 0.792 571 G HN 0.701 nan 8.290 nan 0.000 0.539 572 N N -1.755 116.986 118.700 0.068 0.000 2.455 572 N HA 0.262 5.002 4.740 -0.000 0.000 0.278 572 N C 0.273 175.831 175.510 0.080 0.000 1.291 572 N CA -0.594 52.499 53.050 0.072 0.000 0.780 572 N CB 1.439 39.965 38.487 0.064 0.000 1.520 572 N HN -0.052 nan 8.380 nan 0.000 0.486 573 E N 0.011 120.270 120.200 0.098 0.000 2.118 573 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 573 E C 1.345 178.000 176.600 0.092 0.000 0.992 573 E CA 1.409 57.882 56.400 0.122 0.000 0.804 573 E CB -0.007 29.789 29.700 0.161 0.000 0.741 573 E HN 0.531 nan 8.360 nan 0.000 0.458 574 Q N 0.805 120.648 119.800 0.071 0.000 2.050 574 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 574 Q C 1.712 177.711 176.000 -0.002 0.000 0.980 574 Q CA 1.218 57.043 55.803 0.037 0.000 0.840 574 Q CB -0.232 28.531 28.738 0.042 0.000 0.898 574 Q HN 0.334 nan 8.270 nan 0.000 0.424 575 D N 0.328 120.741 120.400 0.021 0.000 2.219 575 D HA -0.044 4.596 4.640 -0.000 0.000 0.205 575 D C 1.564 177.865 176.300 0.002 0.000 0.970 575 D CA 1.028 55.038 54.000 0.017 0.000 0.851 575 D CB -0.001 40.828 40.800 0.049 0.000 0.943 575 D HN 0.224 nan 8.370 nan 0.000 0.488 576 A N 0.593 123.420 122.820 0.011 0.000 2.119 576 A HA 0.209 4.529 4.320 -0.000 0.000 0.217 576 A C 1.428 178.951 177.584 -0.100 0.000 1.153 576 A CA 0.698 52.741 52.037 0.010 0.000 0.692 576 A CB -0.157 18.889 19.000 0.077 0.000 0.799 576 A HN 0.157 nan 8.150 nan 0.000 0.458 577 A N 0.913 123.587 122.820 -0.244 0.000 2.437 577 A HA 0.515 4.835 4.320 -0.000 0.000 0.303 577 A C 0.130 177.406 177.584 -0.513 0.000 1.324 577 A CA -0.273 51.335 52.037 -0.715 0.000 0.983 577 A CB -0.531 17.910 19.000 -0.931 0.000 1.142 577 A HN 0.680 nan 8.150 nan 0.000 0.541 578 Q N 1.559 121.110 119.800 -0.414 0.000 2.626 578 Q HA 0.561 4.901 4.340 -0.000 0.000 0.300 578 Q C -1.124 174.827 176.000 -0.083 0.000 0.988 578 Q CA -1.392 54.296 55.803 -0.193 0.000 0.761 578 Q CB 0.983 29.678 28.738 -0.071 0.000 1.494 578 Q HN 0.274 nan 8.270 nan 0.000 0.439 579 K N 0.670 121.062 120.400 -0.013 0.000 2.295 579 K HA 0.316 4.636 4.320 -0.000 0.000 0.270 579 K C -1.088 175.596 176.600 0.140 0.000 1.011 579 K CA -0.120 56.199 56.287 0.054 0.000 0.953 579 K CB 0.368 32.885 32.500 0.028 0.000 0.956 579 K HN 0.588 nan 8.250 nan 0.000 0.477 580 F N 2.148 122.117 119.950 0.031 0.000 2.411 580 F HA 0.155 4.682 4.527 -0.000 0.000 0.352 580 F C -0.238 175.602 175.800 0.067 0.000 1.123 580 F CA -1.484 56.550 58.000 0.057 0.000 1.044 580 F CB 1.028 40.091 39.000 0.105 0.000 1.135 580 F HN 0.382 nan 8.300 nan 0.000 0.461 581 D N 8.695 128.716 120.400 -0.632 0.000 2.373 581 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 581 D C -1.878 173.863 176.300 -0.932 0.000 1.091 581 D CA -2.715 50.979 54.000 -0.509 0.000 0.840 581 D CB 1.760 42.398 40.800 -0.270 0.000 1.060 581 D HN 0.281 nan 8.370 nan 0.000 0.502 582 P HA -0.029 nan 4.420 nan 0.000 0.229 582 P C 1.042 178.242 177.300 -0.166 0.000 1.150 582 P CA 0.523 63.454 63.100 -0.282 0.000 0.765 582 P CB 0.239 32.059 31.700 0.200 0.000 0.783 583 G N -0.516 108.173 108.800 -0.185 0.000 2.939 583 G HA2 0.022 3.982 3.960 -0.000 0.000 0.210 583 G HA3 0.022 3.982 3.960 -0.000 0.000 0.210 583 G C 0.694 175.539 174.900 -0.092 0.000 1.160 583 G CA 0.479 45.526 45.100 -0.087 0.000 0.770 583 G HN 0.425 nan 8.290 nan 0.000 0.543 584 T N -1.688 112.761 114.554 -0.175 0.000 2.922 584 T HA 0.737 5.087 4.350 -0.000 0.000 0.281 584 T C -0.390 174.270 174.700 -0.067 0.000 1.005 584 T CA -0.825 61.203 62.100 -0.120 0.000 0.982 584 T CB 2.191 70.975 68.868 -0.141 0.000 1.158 584 T HN -0.069 nan 8.240 nan 0.000 0.566 585 I N 0.655 121.183 120.570 -0.069 0.000 2.545 585 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 585 I C -0.296 175.755 176.117 -0.109 0.000 1.040 585 I CA -1.185 60.059 61.300 -0.093 0.000 1.068 585 I CB 2.041 39.870 38.000 -0.285 0.000 1.251 585 I HN 0.406 nan 8.210 nan 0.000 0.424 586 R N 6.548 127.022 120.500 -0.044 0.000 2.476 586 R HA 0.678 5.018 4.340 -0.000 0.000 0.305 586 R C -1.360 174.871 176.300 -0.115 0.000 0.965 586 R CA -0.696 55.374 56.100 -0.051 0.000 0.867 586 R CB 1.952 32.312 30.300 0.098 0.000 1.176 586 R HN 0.556 nan 8.270 nan 0.000 0.447 587 L N 2.913 124.037 121.223 -0.165 0.000 2.341 587 L HA 0.568 4.908 4.340 -0.000 0.000 0.267 587 L C -0.514 176.331 176.870 -0.041 0.000 1.009 587 L CA -1.331 53.426 54.840 -0.138 0.000 0.819 587 L CB 1.995 43.901 42.059 -0.254 0.000 1.323 587 L HN 0.255 nan 8.230 nan 0.000 0.425 588 L N 1.648 122.891 121.223 0.032 0.000 2.301 588 L HA 0.472 4.812 4.340 -0.000 0.000 0.278 588 L C -0.428 176.499 176.870 0.095 0.000 1.022 588 L CA 0.391 55.271 54.840 0.066 0.000 0.854 588 L CB 1.155 43.264 42.059 0.084 0.000 1.226 588 L HN 0.506 nan 8.230 nan 0.000 0.429 589 S N 3.348 119.085 115.700 0.062 0.000 2.593 589 S HA 0.474 4.944 4.470 -0.000 0.000 0.297 589 S C -0.422 174.217 174.600 0.064 0.000 1.112 589 S CA -0.674 57.568 58.200 0.071 0.000 1.043 589 S CB 1.269 64.487 63.200 0.030 0.000 1.054 589 S HN 0.632 nan 8.310 nan 0.000 0.516 590 N N 2.818 121.556 118.700 0.063 0.000 2.527 590 N HA 0.274 5.014 4.740 -0.000 0.000 0.236 590 N C -1.971 173.546 175.510 0.012 0.000 0.999 590 N CA -2.173 50.897 53.050 0.033 0.000 0.935 590 N CB 1.230 39.730 38.487 0.023 0.000 1.132 590 N HN 0.228 nan 8.380 nan 0.000 0.511 591 P HA -0.004 nan 4.420 nan 0.000 0.234 591 P C -0.000 177.297 177.300 -0.005 0.000 1.167 591 P CA 0.754 63.858 63.100 0.006 0.000 0.763 591 P CB 0.483 32.189 31.700 0.011 0.000 0.835 592 N N -0.317 118.375 118.700 -0.013 0.000 2.236 592 N HA 0.092 4.832 4.740 -0.000 0.000 0.196 592 N C 0.436 175.923 175.510 -0.038 0.000 1.114 592 N CA 0.299 53.335 53.050 -0.023 0.000 0.859 592 N CB 0.798 39.270 38.487 -0.026 0.000 0.982 592 N HN 0.302 nan 8.380 nan 0.000 0.493 593 K N 0.826 121.199 120.400 -0.046 0.000 2.426 593 K HA 0.425 4.745 4.320 -0.000 0.000 0.251 593 K C -0.655 175.901 176.600 -0.074 0.000 0.941 593 K CA -0.501 55.741 56.287 -0.074 0.000 0.808 593 K CB 2.503 34.937 32.500 -0.110 0.000 1.265 593 K HN -0.017 nan 8.250 nan 0.000 0.432 594 E N 0.756 120.906 120.200 -0.083 0.000 2.416 594 E HA 0.177 4.527 4.350 -0.000 0.000 0.273 594 E C -1.049 175.493 176.600 -0.096 0.000 0.935 594 E CA -0.981 55.377 56.400 -0.070 0.000 0.784 594 E CB 2.045 31.721 29.700 -0.042 0.000 1.301 594 E HN 0.694 nan 8.360 nan 0.000 0.454 595 N N -0.138 118.512 118.700 -0.083 0.000 2.476 595 N HA 0.214 4.954 4.740 -0.000 0.000 0.287 595 N C 0.846 176.321 175.510 -0.058 0.000 1.262 595 N CA -0.796 52.199 53.050 -0.091 0.000 0.980 595 N CB 1.362 39.799 38.487 -0.083 0.000 1.163 595 N HN 0.375 nan 8.380 nan 0.000 0.592 596 R N -0.884 119.586 120.500 -0.050 0.000 2.133 596 R HA -0.145 4.195 4.340 -0.000 0.000 0.247 596 R C 1.033 177.315 176.300 -0.031 0.000 1.151 596 R CA 1.919 57.997 56.100 -0.037 0.000 0.971 596 R CB -0.219 30.062 30.300 -0.031 0.000 0.866 596 R HN 0.616 nan 8.270 nan 0.000 0.447 597 M N -0.969 118.613 119.600 -0.030 0.000 2.561 597 M HA 0.221 4.701 4.480 -0.000 0.000 0.238 597 M C 0.972 177.262 176.300 -0.016 0.000 1.131 597 M CA 0.765 56.051 55.300 -0.023 0.000 1.046 597 M CB 0.885 33.470 32.600 -0.025 0.000 1.532 597 M HN 0.404 nan 8.290 nan 0.000 0.497 598 G N 0.374 109.163 108.800 -0.019 0.000 2.157 598 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.248 598 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.248 598 G C 0.036 174.936 174.900 -0.000 0.000 0.979 598 G CA -0.036 45.057 45.100 -0.012 0.000 0.650 598 G HN 0.512 nan 8.290 nan 0.000 0.529 599 N N 1.540 120.242 118.700 0.003 0.000 2.498 599 N HA 0.542 5.282 4.740 -0.000 0.000 0.287 599 N C -2.650 172.875 175.510 0.025 0.000 1.097 599 N CA -1.666 51.403 53.050 0.032 0.000 0.973 599 N CB 1.497 40.020 38.487 0.061 0.000 1.153 599 N HN -0.016 nan 8.380 nan 0.000 0.472 600 P HA -0.043 nan 4.420 nan 0.000 0.267 600 P C -0.419 176.912 177.300 0.052 0.000 1.209 600 P CA -0.308 62.809 63.100 0.029 0.000 0.763 600 P CB 0.304 32.025 31.700 0.036 0.000 0.816 601 V N 1.928 121.839 119.914 -0.004 0.000 2.540 601 V HA 0.362 4.482 4.120 -0.000 0.000 0.297 601 V C -0.014 176.174 176.094 0.156 0.000 1.024 601 V CA 0.536 62.830 62.300 -0.011 0.000 1.105 601 V CB -0.403 31.264 31.823 -0.260 0.000 0.938 601 V HN 0.517 nan 8.190 nan 0.000 0.482 602 S N 3.277 119.143 115.700 0.276 0.000 2.705 602 S HA 0.756 5.226 4.470 -0.000 0.000 0.280 602 S C -1.484 173.298 174.600 0.303 0.000 1.174 602 S CA -0.534 57.847 58.200 0.302 0.000 0.823 602 S CB 1.692 65.015 63.200 0.206 0.000 1.162 602 S HN 0.770 nan 8.310 nan 0.000 0.487 603 Y N 1.566 121.951 120.300 0.142 0.000 2.373 603 Y HA 0.420 4.970 4.550 -0.000 0.000 0.336 603 Y C -0.173 175.761 175.900 0.058 0.000 0.979 603 Y CA -0.488 57.663 58.100 0.086 0.000 1.080 603 Y CB 1.799 40.263 38.460 0.007 0.000 1.190 603 Y HN 0.643 nan 8.280 nan 0.000 0.446 604 Q N 4.664 124.551 119.800 0.145 0.000 2.279 604 Q HA 0.491 4.831 4.340 -0.000 0.000 0.256 604 Q C -1.328 174.720 176.000 0.080 0.000 0.937 604 Q CA -0.360 55.480 55.803 0.062 0.000 0.933 604 Q CB 0.672 29.498 28.738 0.147 0.000 1.189 604 Q HN 0.711 nan 8.270 nan 0.000 0.417 605 I N 5.826 126.411 120.570 0.025 0.000 2.304 605 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 605 I C -0.375 175.660 176.117 -0.136 0.000 1.018 605 I CA -0.351 60.934 61.300 -0.025 0.000 1.260 605 I CB 0.888 38.876 38.000 -0.020 0.000 1.390 605 I HN 0.609 nan 8.210 nan 0.000 0.475 606 I N 8.772 129.233 120.570 -0.182 0.000 2.537 606 I HA 0.250 4.420 4.170 -0.000 0.000 0.276 606 I C -1.791 174.116 176.117 -0.351 0.000 1.063 606 I CA -1.507 59.590 61.300 -0.339 0.000 1.144 606 I CB 1.425 39.391 38.000 -0.057 0.000 1.252 606 I HN 0.351 nan 8.210 nan 0.000 0.480 607 P HA -0.160 nan 4.420 nan 0.000 0.222 607 P C -0.198 177.144 177.300 0.070 0.000 1.147 607 P CA 1.228 64.210 63.100 -0.196 0.000 0.790 607 P CB 0.017 31.607 31.700 -0.184 0.000 0.780 608 Y N -0.070 120.185 120.300 -0.075 0.000 2.526 608 Y HA 0.615 5.165 4.550 -0.000 0.000 0.328 608 Y C 0.188 176.214 175.900 0.210 0.000 0.995 608 Y CA -1.448 56.762 58.100 0.183 0.000 1.304 608 Y CB 0.576 39.230 38.460 0.324 0.000 1.096 608 Y HN -0.160 nan 8.280 nan 0.000 0.499 609 A N 3.641 126.293 122.820 -0.280 0.000 2.535 609 A HA 0.719 5.039 4.320 -0.000 0.000 0.273 609 A C 0.791 178.157 177.584 -0.362 0.000 1.267 609 A CA 0.318 52.189 52.037 -0.276 0.000 0.940 609 A CB -0.604 18.343 19.000 -0.089 0.000 1.101 609 A HN 1.442 nan 8.150 nan 0.000 0.521 610 G N -2.358 106.007 108.800 -0.725 0.000 2.355 610 G HA2 0.531 4.491 3.960 -0.000 0.000 0.619 610 G HA3 0.531 4.491 3.960 -0.000 0.000 0.619 610 G C -0.288 174.751 174.900 0.232 0.000 1.337 610 G CA -0.230 44.754 45.100 -0.193 0.000 0.993 610 G HN 1.908 nan 8.290 nan 0.000 0.599 611 G N -2.180 106.804 108.800 0.307 0.000 2.411 611 G HA2 0.698 4.658 3.960 -0.000 0.000 0.295 611 G HA3 0.698 4.658 3.960 -0.000 0.000 0.295 611 G C 0.455 175.480 174.900 0.210 0.000 1.542 611 G CA 0.930 46.165 45.100 0.226 0.000 0.814 611 G HN 2.011 nan 8.290 nan 0.000 0.557 612 T N -2.554 112.087 114.554 0.144 0.000 3.060 612 T HA 0.297 4.646 4.350 -0.000 0.000 0.249 612 T C 0.641 175.406 174.700 0.109 0.000 1.079 612 T CA 0.582 62.747 62.100 0.108 0.000 1.013 612 T CB -0.125 68.787 68.868 0.074 0.000 0.975 612 T HN 0.554 nan 8.240 nan 0.000 0.518 613 H N 0.994 120.098 119.070 0.057 0.000 2.651 613 H HA 0.472 5.028 4.556 -0.000 0.000 0.353 613 H C -2.514 172.848 175.328 0.058 0.000 1.178 613 H CA -2.818 53.243 56.048 0.022 0.000 1.224 613 H CB 1.595 31.336 29.762 -0.034 0.000 1.702 613 H HN 0.058 nan 8.280 nan 0.000 0.550 614 P HA -0.055 nan 4.420 nan 0.000 0.267 614 P C -0.990 176.354 177.300 0.073 0.000 1.200 614 P CA -0.031 63.115 63.100 0.076 0.000 0.772 614 P CB 0.592 32.294 31.700 0.003 0.000 0.855 615 V N 1.984 121.925 119.914 0.045 0.000 2.509 615 V HA 0.413 4.533 4.120 -0.000 0.000 0.284 615 V C 0.633 176.704 176.094 -0.039 0.000 1.047 615 V CA -0.807 61.490 62.300 -0.005 0.000 0.952 615 V CB 0.852 32.576 31.823 -0.165 0.000 0.988 615 V HN 0.652 nan 8.190 nan 0.000 0.469 616 A N 4.237 127.050 122.820 -0.013 0.000 2.438 616 A HA 0.254 4.573 4.320 -0.000 0.000 0.280 616 A C 1.214 178.782 177.584 -0.026 0.000 1.160 616 A CA -0.193 51.838 52.037 -0.011 0.000 0.821 616 A CB -0.147 18.866 19.000 0.021 0.000 1.101 616 A HN 0.907 nan 8.150 nan 0.000 0.515 617 K N 1.821 122.204 120.400 -0.030 0.000 2.288 617 K HA 0.079 4.399 4.320 -0.000 0.000 0.201 617 K C 1.031 177.640 176.600 0.014 0.000 1.048 617 K CA 1.055 57.326 56.287 -0.026 0.000 0.956 617 K CB 0.156 32.640 32.500 -0.026 0.000 0.746 617 K HN 0.919 nan 8.250 nan 0.000 0.461 618 G N -0.290 108.528 108.800 0.031 0.000 2.364 618 G HA2 0.394 4.354 3.960 -0.000 0.000 0.286 618 G HA3 0.394 4.354 3.960 -0.000 0.000 0.286 618 G C -1.795 173.149 174.900 0.074 0.000 1.241 618 G CA -0.355 44.782 45.100 0.061 0.000 0.887 618 G HN 0.086 nan 8.290 nan 0.000 0.484 619 A N 0.041 122.939 122.820 0.131 0.000 2.354 619 A HA 0.578 4.898 4.320 -0.000 0.000 0.281 619 A C 0.355 178.080 177.584 0.234 0.000 1.174 619 A CA -0.210 51.965 52.037 0.230 0.000 0.828 619 A CB 0.461 19.617 19.000 0.261 0.000 1.099 619 A HN 0.366 nan 8.150 nan 0.000 0.516 620 Q N 2.151 121.997 119.800 0.076 0.000 3.141 620 Q HA 0.225 4.565 4.340 -0.000 0.000 0.304 620 Q C -1.446 174.248 176.000 -0.509 0.000 1.305 620 Q CA 0.687 56.384 55.803 -0.178 0.000 0.929 620 Q CB -0.817 27.758 28.738 -0.272 0.000 1.701 620 Q HN 0.589 nan 8.270 nan 0.000 0.483 621 F N -0.554 119.439 119.950 0.072 0.000 2.578 621 F HA 0.533 5.060 4.527 -0.000 0.000 0.311 621 F C 0.236 176.030 175.800 -0.009 0.000 1.094 621 F CA -1.306 56.740 58.000 0.078 0.000 0.923 621 F CB 1.202 40.308 39.000 0.177 0.000 1.230 621 F HN 0.041 nan 8.300 nan 0.000 0.450 622 A N 3.342 126.221 122.820 0.098 0.000 2.407 622 A HA 0.389 4.709 4.320 -0.000 0.000 0.248 622 A C -1.681 175.739 177.584 -0.273 0.000 1.082 622 A CA -1.147 50.846 52.037 -0.074 0.000 0.785 622 A CB -0.156 18.821 19.000 -0.038 0.000 1.020 622 A HN 0.569 nan 8.150 nan 0.000 0.489 623 P HA -0.129 nan 4.420 nan 0.000 0.229 623 P C 0.142 177.152 177.300 -0.482 0.000 1.150 623 P CA 1.384 63.921 63.100 -0.938 0.000 0.765 623 P CB -0.003 31.329 31.700 -0.612 0.000 0.783 624 D N -1.973 118.266 120.400 -0.268 0.000 2.402 624 D HA 0.033 4.673 4.640 -0.000 0.000 0.216 624 D C 0.242 176.430 176.300 -0.188 0.000 1.128 624 D CA -0.125 53.743 54.000 -0.219 0.000 0.833 624 D CB -0.195 40.508 40.800 -0.163 0.000 0.971 624 D HN 0.034 nan 8.370 nan 0.000 0.503 625 E N -0.063 120.098 120.200 -0.065 0.000 2.331 625 E HA 0.037 4.387 4.350 -0.000 0.000 0.272 625 E C 0.265 176.859 176.600 -0.009 0.000 1.036 625 E CA -0.428 56.013 56.400 0.068 0.000 0.864 625 E CB 0.937 30.792 29.700 0.258 0.000 1.035 625 E HN 0.238 nan 8.360 nan 0.000 0.408 626 W N 2.090 123.413 121.300 0.038 0.000 2.363 626 W HA -0.115 4.545 4.660 -0.000 0.000 0.296 626 W C 2.089 178.571 176.519 -0.063 0.000 1.212 626 W CA 0.279 57.599 57.345 -0.042 0.000 1.260 626 W CB -0.057 29.238 29.460 -0.276 0.000 1.131 626 W HN 0.566 nan 8.180 nan 0.000 0.530 627 I N -0.443 120.138 120.570 0.018 0.000 2.493 627 I HA -0.335 3.835 4.170 -0.000 0.000 0.254 627 I C 2.235 178.240 176.117 -0.187 0.000 1.160 627 I CA 1.353 62.559 61.300 -0.157 0.000 1.445 627 I CB -0.311 37.444 38.000 -0.409 0.000 1.086 627 I HN 0.060 nan 8.210 nan 0.000 0.433 628 Y N 0.835 120.991 120.300 -0.239 0.000 2.163 628 Y HA -0.332 4.218 4.550 -0.000 0.000 0.288 628 Y C 2.636 178.475 175.900 -0.102 0.000 1.136 628 Y CA 2.385 60.383 58.100 -0.171 0.000 1.147 628 Y CB -0.635 37.783 38.460 -0.070 0.000 0.987 628 Y HN 0.311 nan 8.280 nan 0.000 0.509 629 H N -0.153 118.971 119.070 0.090 0.000 2.428 629 H HA 0.015 4.571 4.556 -0.000 0.000 0.296 629 H C 2.189 177.529 175.328 0.020 0.000 1.062 629 H CA 1.667 57.732 56.048 0.028 0.000 1.350 629 H CB 0.039 29.710 29.762 -0.152 0.000 1.403 629 H HN 0.231 nan 8.280 nan 0.000 0.533 630 R N -0.411 120.123 120.500 0.056 0.000 2.115 630 R HA 0.083 4.423 4.340 -0.000 0.000 0.226 630 R C 0.074 176.281 176.300 -0.154 0.000 1.100 630 R CA 0.885 56.977 56.100 -0.013 0.000 0.980 630 R CB 0.272 30.617 30.300 0.075 0.000 0.875 630 R HN 0.246 nan 8.270 nan 0.000 0.445 631 L N 0.848 121.940 121.223 -0.218 0.000 2.445 631 L HA 0.271 4.611 4.340 -0.000 0.000 0.252 631 L C 0.499 177.119 176.870 -0.416 0.000 1.105 631 L CA -0.319 54.364 54.840 -0.262 0.000 0.943 631 L CB 1.878 43.744 42.059 -0.321 0.000 1.277 631 L HN 0.003 nan 8.230 nan 0.000 0.465 632 S N 1.012 116.525 115.700 -0.311 0.000 2.419 632 S HA -0.179 4.291 4.470 -0.000 0.000 0.233 632 S C 1.729 176.257 174.600 -0.120 0.000 1.016 632 S CA 1.197 59.249 58.200 -0.246 0.000 0.974 632 S CB -0.230 62.938 63.200 -0.054 0.000 0.786 632 S HN 0.744 nan 8.310 nan 0.000 0.492 633 F N 1.550 121.325 119.950 -0.293 0.000 2.250 633 F HA -0.021 4.506 4.527 -0.000 0.000 0.301 633 F C 1.778 177.605 175.800 0.045 0.000 1.077 633 F CA 0.861 58.715 58.000 -0.243 0.000 1.348 633 F CB -0.950 37.765 39.000 -0.474 0.000 1.040 633 F HN 0.092 nan 8.300 nan 0.000 0.509 634 M N 0.152 119.261 119.600 -0.819 0.000 2.460 634 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 634 M C 0.606 176.823 176.300 -0.140 0.000 1.071 634 M CA 1.443 56.422 55.300 -0.536 0.000 1.096 634 M CB -0.438 31.794 32.600 -0.614 0.000 1.408 634 M HN 0.129 nan 8.290 nan 0.000 0.463 635 D N 0.623 120.986 120.400 -0.060 0.000 2.424 635 D HA 0.121 4.761 4.640 -0.000 0.000 0.220 635 D C -0.460 175.895 176.300 0.091 0.000 1.150 635 D CA 0.236 54.254 54.000 0.030 0.000 0.831 635 D CB 0.541 41.336 40.800 -0.009 0.000 0.981 635 D HN -0.035 nan 8.370 nan 0.000 0.500 636 K N 0.338 120.848 120.400 0.184 0.000 2.513 636 K HA 0.240 4.560 4.320 -0.000 0.000 0.251 636 K C -0.091 176.648 176.600 0.233 0.000 0.939 636 K CA -0.456 55.878 56.287 0.078 0.000 0.793 636 K CB 1.916 34.215 32.500 -0.335 0.000 1.241 636 K HN -0.196 nan 8.250 nan 0.000 0.431 637 Q N 0.437 120.337 119.800 0.167 0.000 2.398 637 Q HA 0.123 4.463 4.340 -0.000 0.000 0.204 637 Q C 0.013 176.165 176.000 0.254 0.000 0.932 637 Q CA 0.415 56.368 55.803 0.250 0.000 0.916 637 Q CB 0.263 29.150 28.738 0.249 0.000 1.024 637 Q HN 0.389 nan 8.270 nan 0.000 0.504 638 L N -0.536 120.766 121.223 0.132 0.000 2.408 638 L HA 0.625 4.965 4.340 -0.000 0.000 0.268 638 L C -2.079 174.774 176.870 -0.028 0.000 0.986 638 L CA -0.556 54.373 54.840 0.148 0.000 0.820 638 L CB 1.309 43.425 42.059 0.095 0.000 1.303 638 L HN 0.002 nan 8.230 nan 0.000 0.411 639 W N 4.115 125.544 121.300 0.215 0.000 3.129 639 W HA 0.757 5.417 4.660 -0.000 0.000 0.333 639 W C -1.347 175.362 176.519 0.318 0.000 1.141 639 W CA -0.713 56.765 57.345 0.221 0.000 1.224 639 W CB 2.321 31.881 29.460 0.166 0.000 1.393 639 W HN 0.308 nan 8.180 nan 0.000 0.499 640 V N 2.627 122.827 119.914 0.477 0.000 2.569 640 V HA 0.714 4.834 4.120 -0.000 0.000 0.301 640 V C -0.212 176.100 176.094 0.363 0.000 1.044 640 V CA -0.830 61.706 62.300 0.394 0.000 0.874 640 V CB 1.349 33.311 31.823 0.231 0.000 1.002 640 V HN 0.572 nan 8.190 nan 0.000 0.424 641 T N 1.556 116.354 114.554 0.406 0.000 2.916 641 T HA 0.685 5.035 4.350 -0.000 0.000 0.292 641 T C -0.303 174.500 174.700 0.173 0.000 1.064 641 T CA -1.086 61.188 62.100 0.290 0.000 1.011 641 T CB 1.820 70.885 68.868 0.328 0.000 1.152 641 T HN 0.523 nan 8.240 nan 0.000 0.510 642 R N 0.408 120.937 120.500 0.048 0.000 2.543 642 R HA 0.230 4.570 4.340 -0.000 0.000 0.277 642 R C -0.491 175.644 176.300 -0.275 0.000 1.074 642 R CA -0.669 55.371 56.100 -0.099 0.000 1.076 642 R CB 0.240 30.423 30.300 -0.195 0.000 0.993 642 R HN 0.700 nan 8.270 nan 0.000 0.459 643 Y N 2.577 122.717 120.300 -0.267 0.000 2.610 643 Y HA -0.052 4.498 4.550 -0.000 0.000 0.332 643 Y C -0.560 175.119 175.900 -0.369 0.000 1.201 643 Y CA 0.637 58.607 58.100 -0.216 0.000 1.465 643 Y CB 0.367 38.760 38.460 -0.113 0.000 1.283 643 Y HN 0.532 nan 8.280 nan 0.000 0.563 644 H N 6.467 124.991 119.070 -0.909 0.000 3.042 644 H HA 0.186 4.742 4.556 -0.000 0.000 0.345 644 H C -1.999 172.811 175.328 -0.863 0.000 1.052 644 H CA -1.789 53.815 56.048 -0.739 0.000 1.311 644 H CB 1.667 31.228 29.762 -0.336 0.000 1.810 644 H HN 0.412 nan 8.280 nan 0.000 0.505 645 P HA -0.109 nan 4.420 nan 0.000 0.219 645 P C 1.184 178.364 177.300 -0.200 0.000 1.146 645 P CA 1.261 64.176 63.100 -0.309 0.000 0.808 645 P CB 0.236 31.875 31.700 -0.102 0.000 0.779 646 G N -0.467 108.223 108.800 -0.182 0.000 3.523 646 G HA2 0.069 4.028 3.960 -0.000 0.000 0.270 646 G HA3 0.069 4.028 3.960 -0.000 0.000 0.270 646 G C -0.007 174.772 174.900 -0.202 0.000 1.134 646 G CA -0.169 44.846 45.100 -0.141 0.000 0.825 646 G HN 0.220 nan 8.290 nan 0.000 0.534 647 E N 0.563 120.556 120.200 -0.346 0.000 2.183 647 E HA 0.352 4.701 4.350 -0.000 0.000 0.250 647 E C 0.190 176.543 176.600 -0.413 0.000 0.901 647 E CA -0.437 55.542 56.400 -0.702 0.000 0.741 647 E CB 1.234 30.321 29.700 -1.022 0.000 1.182 647 E HN 0.179 nan 8.360 nan 0.000 0.425 648 R N 1.494 121.751 120.500 -0.406 0.000 2.544 648 R HA 0.198 4.538 4.340 -0.000 0.000 0.303 648 R C -0.383 175.699 176.300 -0.363 0.000 0.939 648 R CA 0.026 55.841 56.100 -0.475 0.000 1.102 648 R CB 0.842 30.428 30.300 -1.190 0.000 1.440 648 R HN 0.221 nan 8.270 nan 0.000 0.532 649 F N 1.968 122.100 119.950 0.304 0.000 2.493 649 F HA 0.379 4.906 4.527 -0.000 0.000 0.329 649 F C -1.531 174.264 175.800 -0.007 0.000 1.126 649 F CA -2.985 55.098 58.000 0.138 0.000 0.937 649 F CB 1.443 40.439 39.000 -0.008 0.000 1.146 649 F HN -0.264 nan 8.300 nan 0.000 0.442 650 P HA -0.189 nan 4.420 nan 0.000 0.218 650 P C 0.787 177.762 177.300 -0.542 0.000 1.149 650 P CA 1.609 64.354 63.100 -0.592 0.000 0.817 650 P CB 0.260 31.345 31.700 -1.026 0.000 0.785 651 E N 0.437 120.418 120.200 -0.366 0.000 2.479 651 E HA 0.189 4.538 4.350 -0.000 0.000 0.193 651 E C 0.794 177.322 176.600 -0.119 0.000 1.049 651 E CA 0.463 56.787 56.400 -0.126 0.000 0.870 651 E CB -0.438 29.256 29.700 -0.010 0.000 0.944 651 E HN 0.168 nan 8.360 nan 0.000 0.492 652 G N 1.814 110.555 108.800 -0.098 0.000 2.663 652 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.686 652 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.686 652 G C 0.072 174.970 174.900 -0.003 0.000 1.246 652 G CA -0.081 44.980 45.100 -0.065 0.000 0.795 652 G HN 0.139 nan 8.290 nan 0.000 0.627 653 K N -0.613 119.797 120.400 0.016 0.000 2.057 653 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 653 K C 0.430 176.639 176.600 -0.653 0.000 1.049 653 K CA 1.569 57.702 56.287 -0.256 0.000 0.931 653 K CB -0.111 32.237 32.500 -0.252 0.000 0.714 653 K HN 0.488 nan 8.250 nan 0.000 0.440 654 Y N 0.408 120.671 120.300 -0.061 0.000 2.747 654 Y HA 0.253 4.803 4.550 -0.000 0.000 0.362 654 Y C -2.006 173.843 175.900 -0.085 0.000 1.026 654 Y CA -2.453 55.602 58.100 -0.075 0.000 1.135 654 Y CB 1.358 39.789 38.460 -0.049 0.000 1.175 654 Y HN 0.170 nan 8.280 nan 0.000 0.643 655 P HA -0.063 nan 4.420 nan 0.000 0.237 655 P C 0.142 177.428 177.300 -0.022 0.000 1.178 655 P CA 0.462 63.543 63.100 -0.033 0.000 0.766 655 P CB 0.442 32.117 31.700 -0.041 0.000 0.876 656 N N 1.876 120.573 118.700 -0.004 0.000 2.452 656 N HA -0.011 4.729 4.740 -0.000 0.000 0.266 656 N C 0.387 175.819 175.510 -0.131 0.000 1.175 656 N CA 0.162 53.183 53.050 -0.048 0.000 0.945 656 N CB -0.338 38.132 38.487 -0.028 0.000 1.063 656 N HN -0.106 nan 8.380 nan 0.000 0.472 657 R N 0.379 120.778 120.500 -0.168 0.000 3.641 657 R HA -0.176 4.164 4.340 -0.000 0.000 0.286 657 R C -0.321 175.853 176.300 -0.211 0.000 1.153 657 R CA 0.823 56.786 56.100 -0.227 0.000 0.775 657 R CB -2.759 27.197 30.300 -0.574 0.000 1.215 657 R HN 0.751 nan 8.270 nan 0.000 0.474 658 S N -0.578 115.036 115.700 -0.144 0.000 2.568 658 S HA 0.134 4.604 4.470 -0.000 0.000 0.282 658 S C 1.510 175.924 174.600 -0.309 0.000 1.338 658 S CA 0.163 58.249 58.200 -0.191 0.000 1.045 658 S CB 1.550 64.655 63.200 -0.158 0.000 0.873 658 S HN 0.350 nan 8.310 nan 0.000 0.516 659 T N -2.114 112.215 114.554 -0.374 0.000 3.040 659 T HA 0.272 4.622 4.350 -0.000 0.000 0.250 659 T C 0.192 175.043 174.700 0.251 0.000 1.058 659 T CA 0.461 62.275 62.100 -0.476 0.000 0.988 659 T CB -0.769 67.756 68.868 -0.571 0.000 0.993 659 T HN 1.061 nan 8.240 nan 0.000 0.519 660 H N -2.241 116.906 119.070 0.128 0.000 3.014 660 H HA 0.600 5.156 4.556 -0.000 0.000 0.337 660 H C -1.720 173.620 175.328 0.020 0.000 1.320 660 H CA -1.131 55.049 56.048 0.221 0.000 1.128 660 H CB 0.401 30.295 29.762 0.220 0.000 1.862 660 H HN -0.099 nan 8.280 nan 0.000 0.536 661 D N 0.860 121.207 120.400 -0.088 0.000 2.382 661 D HA 0.049 4.689 4.640 -0.000 0.000 0.259 661 D C 0.706 176.879 176.300 -0.211 0.000 1.224 661 D CA 0.771 54.645 54.000 -0.210 0.000 0.894 661 D CB 0.985 41.630 40.800 -0.258 0.000 1.127 661 D HN 0.737 nan 8.370 nan 0.000 0.487 662 T N 0.252 114.628 114.554 -0.296 0.000 3.040 662 T HA 0.349 4.699 4.350 -0.000 0.000 0.266 662 T C 1.021 175.443 174.700 -0.463 0.000 1.005 662 T CA -0.009 61.931 62.100 -0.267 0.000 0.906 662 T CB 0.631 69.390 68.868 -0.181 0.000 1.082 662 T HN 0.250 nan 8.240 nan 0.000 0.531 663 G N 1.630 110.094 108.800 -0.560 0.000 3.286 663 G HA2 0.433 4.393 3.960 -0.000 0.000 0.173 663 G HA3 0.433 4.393 3.960 -0.000 0.000 0.173 663 G C 0.898 174.907 174.900 -1.486 0.000 1.704 663 G CA -0.522 44.053 45.100 -0.875 0.000 1.041 663 G HN 0.298 nan 8.290 nan 0.000 0.561 664 L N 0.867 121.433 121.223 -1.096 0.000 2.127 664 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 664 L C 3.096 179.587 176.870 -0.631 0.000 1.089 664 L CA 1.099 55.332 54.840 -1.011 0.000 0.757 664 L CB -0.554 40.593 42.059 -1.520 0.000 0.899 664 L HN 0.571 nan 8.230 nan 0.000 0.434 665 G N -0.931 107.573 108.800 -0.492 0.000 2.421 665 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.216 665 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.216 665 G C 1.479 176.286 174.900 -0.156 0.000 1.171 665 G CA 0.754 45.735 45.100 -0.199 0.000 0.775 665 G HN 0.399 nan 8.290 nan 0.000 0.543 666 Q N -0.960 118.675 119.800 -0.276 0.000 2.083 666 Q HA -0.106 4.234 4.340 -0.000 0.000 0.198 666 Q C 2.318 178.296 176.000 -0.037 0.000 0.969 666 Q CA 1.021 56.735 55.803 -0.147 0.000 0.838 666 Q CB -0.188 28.426 28.738 -0.206 0.000 0.900 666 Q HN 0.560 nan 8.270 nan 0.000 0.436 667 Y N 0.277 120.526 120.300 -0.084 0.000 2.333 667 Y HA -0.116 4.434 4.550 -0.000 0.000 0.290 667 Y C 2.585 178.503 175.900 0.030 0.000 1.144 667 Y CA 1.229 59.303 58.100 -0.044 0.000 1.228 667 Y CB -0.524 37.843 38.460 -0.155 0.000 0.985 667 Y HN 0.283 nan 8.280 nan 0.000 0.542 668 S N -1.203 114.606 115.700 0.182 0.000 2.502 668 S HA 0.041 4.511 4.470 -0.000 0.000 0.215 668 S C 1.815 176.506 174.600 0.153 0.000 1.009 668 S CA 0.157 58.478 58.200 0.203 0.000 0.908 668 S CB -0.019 63.365 63.200 0.307 0.000 0.801 668 S HN 0.206 nan 8.310 nan 0.000 0.505 669 K N 2.216 122.686 120.400 0.116 0.000 2.090 669 K HA -0.238 4.082 4.320 -0.000 0.000 0.218 669 K C 1.038 177.692 176.600 0.088 0.000 1.055 669 K CA 2.372 58.712 56.287 0.089 0.000 0.941 669 K CB -0.569 31.971 32.500 0.068 0.000 0.722 669 K HN 0.276 nan 8.250 nan 0.000 0.458 670 D N 0.100 120.558 120.400 0.097 0.000 2.378 670 D HA -0.115 4.525 4.640 -0.000 0.000 0.222 670 D C -0.273 176.081 176.300 0.090 0.000 0.980 670 D CA 0.564 54.617 54.000 0.088 0.000 0.907 670 D CB -0.560 40.296 40.800 0.093 0.000 0.899 670 D HN 0.467 nan 8.370 nan 0.000 0.527 671 N N 1.174 119.934 118.700 0.101 0.000 2.667 671 N HA -0.203 4.537 4.740 -0.000 0.000 0.263 671 N C -0.712 174.852 175.510 0.091 0.000 1.038 671 N CA 0.043 53.148 53.050 0.093 0.000 0.749 671 N CB -0.287 38.244 38.487 0.072 0.000 0.892 671 N HN 0.336 nan 8.380 nan 0.000 0.546 672 E N 0.060 120.323 120.200 0.106 0.000 2.342 672 E HA 0.201 4.551 4.350 -0.000 0.000 0.257 672 E C 0.308 176.961 176.600 0.087 0.000 1.150 672 E CA -0.583 55.876 56.400 0.098 0.000 0.926 672 E CB 0.829 30.600 29.700 0.119 0.000 1.074 672 E HN 0.316 nan 8.360 nan 0.000 0.449 673 S N 0.579 116.325 115.700 0.077 0.000 2.549 673 S HA 0.102 4.572 4.470 -0.000 0.000 0.279 673 S C 0.254 174.896 174.600 0.069 0.000 1.321 673 S CA -0.422 57.818 58.200 0.068 0.000 1.054 673 S CB 0.155 63.390 63.200 0.059 0.000 0.899 673 S HN 0.457 nan 8.310 nan 0.000 0.497 674 L N 3.038 124.302 121.223 0.067 0.000 2.965 674 L HA 0.363 4.703 4.340 -0.000 0.000 0.254 674 L C -0.039 176.864 176.870 0.055 0.000 1.220 674 L CA -0.226 54.655 54.840 0.067 0.000 1.023 674 L CB 0.169 42.275 42.059 0.078 0.000 1.355 674 L HN 0.613 nan 8.230 nan 0.000 0.545 675 D N 0.971 121.401 120.400 0.050 0.000 2.280 675 D HA 0.073 4.713 4.640 -0.000 0.000 0.243 675 D C 0.732 177.054 176.300 0.037 0.000 1.129 675 D CA 0.066 54.091 54.000 0.042 0.000 0.848 675 D CB 0.391 41.215 40.800 0.040 0.000 1.107 675 D HN 0.140 nan 8.370 nan 0.000 0.471 676 N N 2.463 121.183 118.700 0.032 0.000 2.725 676 N HA -0.246 4.494 4.740 -0.000 0.000 0.251 676 N C -1.125 174.401 175.510 0.028 0.000 1.031 676 N CA 0.705 53.771 53.050 0.026 0.000 0.720 676 N CB -0.414 38.085 38.487 0.021 0.000 0.930 676 N HN 0.466 nan 8.380 nan 0.000 0.543 677 T N -0.974 113.601 114.554 0.034 0.000 2.804 677 T HA 0.144 4.494 4.350 -0.000 0.000 0.290 677 T C -1.477 173.245 174.700 0.036 0.000 1.099 677 T CA -0.563 61.558 62.100 0.035 0.000 1.011 677 T CB 1.501 70.394 68.868 0.042 0.000 1.291 677 T HN 0.156 nan 8.240 nan 0.000 0.523 678 D N 1.517 121.938 120.400 0.036 0.000 2.349 678 D HA 0.447 5.087 4.640 -0.000 0.000 0.266 678 D C -0.196 176.145 176.300 0.069 0.000 1.293 678 D CA 0.121 54.144 54.000 0.038 0.000 0.926 678 D CB 0.181 40.998 40.800 0.029 0.000 1.090 678 D HN 0.713 nan 8.370 nan 0.000 0.502 679 A N 3.112 125.974 122.820 0.070 0.000 2.294 679 A HA 0.672 4.992 4.320 -0.000 0.000 0.330 679 A C -0.724 176.923 177.584 0.105 0.000 1.133 679 A CA -0.641 51.454 52.037 0.096 0.000 0.836 679 A CB 1.520 20.573 19.000 0.090 0.000 1.190 679 A HN 0.341 nan 8.150 nan 0.000 0.492 680 V N 1.709 121.706 119.914 0.138 0.000 2.531 680 V HA 0.405 4.525 4.120 -0.000 0.000 0.301 680 V C -0.437 175.713 176.094 0.094 0.000 1.034 680 V CA -0.536 61.800 62.300 0.061 0.000 0.865 680 V CB 1.521 33.358 31.823 0.023 0.000 0.995 680 V HN 0.672 nan 8.190 nan 0.000 0.424 681 V N 3.727 123.633 119.914 -0.013 0.000 2.481 681 V HA 0.514 4.634 4.120 -0.000 0.000 0.286 681 V C -0.969 175.122 176.094 -0.006 0.000 1.042 681 V CA -0.485 61.884 62.300 0.114 0.000 0.928 681 V CB 1.699 33.565 31.823 0.072 0.000 0.986 681 V HN 0.898 nan 8.190 nan 0.000 0.462 682 W N 4.277 125.707 121.300 0.217 0.000 2.656 682 W HA 0.744 5.404 4.660 -0.000 0.000 0.327 682 W C -0.303 176.384 176.519 0.280 0.000 1.041 682 W CA -0.667 56.807 57.345 0.215 0.000 1.229 682 W CB 1.342 30.892 29.460 0.149 0.000 1.397 682 W HN 0.247 nan 8.180 nan 0.000 0.479 683 M N 3.002 122.865 119.600 0.438 0.000 2.243 683 M HA 0.408 4.888 4.480 -0.000 0.000 0.324 683 M C -0.421 176.131 176.300 0.421 0.000 1.031 683 M CA -0.378 55.151 55.300 0.382 0.000 0.949 683 M CB 1.960 34.731 32.600 0.285 0.000 1.615 683 M HN 0.252 nan 8.290 nan 0.000 0.430 684 T N 1.702 116.509 114.554 0.422 0.000 2.771 684 T HA 0.522 4.872 4.350 -0.000 0.000 0.281 684 T C -0.339 174.569 174.700 0.347 0.000 0.982 684 T CA -0.306 62.036 62.100 0.403 0.000 0.978 684 T CB 1.472 70.618 68.868 0.463 0.000 0.930 684 T HN 0.707 nan 8.240 nan 0.000 0.447 685 T N 1.633 116.405 114.554 0.363 0.000 2.900 685 T HA 0.804 5.154 4.350 -0.000 0.000 0.303 685 T C -0.518 174.407 174.700 0.375 0.000 1.142 685 T CA -0.234 62.081 62.100 0.359 0.000 1.007 685 T CB 1.480 70.585 68.868 0.395 0.000 1.156 685 T HN 0.863 nan 8.240 nan 0.000 0.490 686 G N 1.107 110.087 108.800 0.300 0.000 2.606 686 G HA2 0.680 4.640 3.960 -0.000 0.000 0.300 686 G HA3 0.680 4.640 3.960 -0.000 0.000 0.300 686 G C -0.840 174.189 174.900 0.214 0.000 1.360 686 G CA -0.074 45.182 45.100 0.260 0.000 0.783 686 G HN 1.087 nan 8.290 nan 0.000 0.484 687 T N -2.879 111.787 114.554 0.186 0.000 2.906 687 T HA 0.705 5.054 4.350 -0.000 0.000 0.295 687 T C -0.845 173.875 174.700 0.034 0.000 1.061 687 T CA -0.601 61.589 62.100 0.150 0.000 1.000 687 T CB 2.081 71.105 68.868 0.260 0.000 1.103 687 T HN 0.488 nan 8.240 nan 0.000 0.486 688 T N 2.048 116.582 114.554 -0.034 0.000 2.788 688 T HA 0.330 4.680 4.350 -0.000 0.000 0.296 688 T C -0.820 173.758 174.700 -0.203 0.000 1.009 688 T CA -0.417 61.607 62.100 -0.125 0.000 0.949 688 T CB -0.058 68.745 68.868 -0.108 0.000 0.946 688 T HN 0.772 nan 8.240 nan 0.000 0.453 689 H N 3.853 122.619 119.070 -0.506 0.000 2.641 689 H HA 0.518 5.074 4.556 -0.000 0.000 0.295 689 H C -0.875 174.138 175.328 -0.525 0.000 1.070 689 H CA -0.727 54.921 56.048 -0.667 0.000 1.257 689 H CB 0.442 29.759 29.762 -0.741 0.000 1.393 689 H HN 0.284 nan 8.280 nan 0.000 0.464 690 V N 5.144 124.940 119.914 -0.197 0.000 2.350 690 V HA 0.347 4.466 4.120 -0.000 0.000 0.276 690 V C 0.618 176.671 176.094 -0.068 0.000 1.028 690 V CA -0.585 61.611 62.300 -0.174 0.000 0.860 690 V CB 0.701 32.456 31.823 -0.113 0.000 0.990 690 V HN 0.884 nan 8.190 nan 0.000 0.453 691 A N 6.478 129.208 122.820 -0.150 0.000 2.327 691 A HA 0.831 5.151 4.320 -0.000 0.000 0.255 691 A C 0.325 177.931 177.584 0.038 0.000 1.099 691 A CA -0.311 51.717 52.037 -0.016 0.000 0.801 691 A CB 0.526 19.469 19.000 -0.095 0.000 1.062 691 A HN 0.990 nan 8.150 nan 0.000 0.496 692 R N -1.055 119.505 120.500 0.101 0.000 2.764 692 R HA 0.643 4.982 4.340 -0.000 0.000 0.270 692 R C 0.330 176.688 176.300 0.097 0.000 1.014 692 R CA -0.104 56.043 56.100 0.078 0.000 0.904 692 R CB 1.144 31.500 30.300 0.094 0.000 1.236 692 R HN 0.745 nan 8.270 nan 0.000 0.466 693 A N 1.067 123.928 122.820 0.069 0.000 2.019 693 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 693 A C 1.290 178.956 177.584 0.138 0.000 1.164 693 A CA 1.663 53.756 52.037 0.094 0.000 0.644 693 A CB -0.518 18.511 19.000 0.048 0.000 0.805 693 A HN 0.822 nan 8.150 nan 0.000 0.449 694 E N 0.257 120.524 120.200 0.113 0.000 2.472 694 E HA -0.076 4.274 4.350 -0.000 0.000 0.200 694 E C 0.991 177.665 176.600 0.124 0.000 1.046 694 E CA 0.959 57.420 56.400 0.102 0.000 0.871 694 E CB -0.069 29.679 29.700 0.080 0.000 0.806 694 E HN 0.794 nan 8.360 nan 0.000 0.533 695 E N -0.739 119.570 120.200 0.181 0.000 2.499 695 E HA 0.071 4.421 4.350 -0.000 0.000 0.199 695 E C -0.470 176.304 176.600 0.290 0.000 1.016 695 E CA -0.280 56.243 56.400 0.204 0.000 0.933 695 E CB 0.483 30.344 29.700 0.268 0.000 1.050 695 E HN 0.171 nan 8.360 nan 0.000 0.462 696 W N 2.016 123.333 121.300 0.029 0.000 2.883 696 W HA 0.264 4.924 4.660 -0.000 0.000 0.335 696 W C -2.371 174.165 176.519 0.028 0.000 1.083 696 W CA -2.122 55.237 57.345 0.024 0.000 1.233 696 W CB 1.821 31.294 29.460 0.021 0.000 1.412 696 W HN -0.120 nan 8.180 nan 0.000 0.490 697 P HA 0.118 nan 4.420 nan 0.000 0.241 697 P C -0.101 176.876 177.300 -0.538 0.000 1.191 697 P CA 0.719 63.153 63.100 -1.110 0.000 0.771 697 P CB 1.331 32.519 31.700 -0.854 0.000 0.929 698 I N -0.297 120.129 120.570 -0.240 0.000 2.582 698 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 698 I C -0.675 175.387 176.117 -0.092 0.000 1.066 698 I CA -1.575 59.602 61.300 -0.206 0.000 1.053 698 I CB 2.187 40.061 38.000 -0.211 0.000 1.241 698 I HN -0.325 nan 8.210 nan 0.000 0.421 699 M N 8.714 128.260 119.600 -0.091 0.000 2.146 699 M HA 0.367 4.846 4.480 -0.000 0.000 0.352 699 M C -2.354 173.887 176.300 -0.098 0.000 1.343 699 M CA -1.553 53.722 55.300 -0.042 0.000 1.115 699 M CB 0.207 32.797 32.600 -0.017 0.000 1.657 699 M HN 0.250 nan 8.290 nan 0.000 0.471 700 P HA 0.020 nan 4.420 nan 0.000 0.264 700 P C -0.548 176.658 177.300 -0.158 0.000 1.193 700 P CA 0.110 63.159 63.100 -0.085 0.000 0.763 700 P CB 0.250 31.922 31.700 -0.047 0.000 0.810 701 T N 4.053 118.501 114.554 -0.175 0.000 2.871 701 T HA 0.047 4.397 4.350 -0.000 0.000 0.296 701 T C 0.278 174.769 174.700 -0.348 0.000 0.998 701 T CA 0.176 62.086 62.100 -0.317 0.000 1.162 701 T CB -0.050 68.631 68.868 -0.312 0.000 0.947 701 T HN 0.333 nan 8.240 nan 0.000 0.536 702 E N 2.193 122.090 120.200 -0.504 0.000 2.183 702 E HA 0.338 4.688 4.350 -0.000 0.000 0.271 702 E C -0.871 175.442 176.600 -0.478 0.000 0.919 702 E CA -0.471 55.660 56.400 -0.448 0.000 0.781 702 E CB 1.757 31.001 29.700 -0.760 0.000 1.140 702 E HN 0.611 nan 8.360 nan 0.000 0.402 703 W N 1.247 122.404 121.300 -0.238 0.000 2.719 703 W HA 0.497 5.157 4.660 -0.000 0.000 0.352 703 W C -0.282 176.004 176.519 -0.389 0.000 1.085 703 W CA -0.750 56.409 57.345 -0.309 0.000 1.187 703 W CB 1.564 30.841 29.460 -0.304 0.000 1.417 703 W HN 0.228 nan 8.180 nan 0.000 0.557 704 V N -0.630 119.170 119.914 -0.189 0.000 2.823 704 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 704 V C -0.905 174.943 176.094 -0.409 0.000 1.072 704 V CA -0.892 61.284 62.300 -0.207 0.000 0.937 704 V CB 1.838 33.699 31.823 0.063 0.000 1.013 704 V HN 0.612 nan 8.190 nan 0.000 0.430 705 H N 2.298 121.405 119.070 0.062 0.000 2.637 705 H HA 0.796 5.352 4.556 -0.000 0.000 0.363 705 H C -0.305 174.983 175.328 -0.066 0.000 1.131 705 H CA 0.068 56.094 56.048 -0.038 0.000 1.183 705 H CB 2.333 32.046 29.762 -0.082 0.000 1.637 705 H HN 1.061 nan 8.280 nan 0.000 0.531 706 T N 0.315 114.859 114.554 -0.016 0.000 2.906 706 T HA 0.648 4.998 4.350 -0.000 0.000 0.295 706 T C -1.028 173.591 174.700 -0.136 0.000 1.075 706 T CA -0.778 61.271 62.100 -0.085 0.000 1.005 706 T CB 1.961 70.751 68.868 -0.130 0.000 1.136 706 T HN 0.236 nan 8.240 nan 0.000 0.498 707 L N 0.852 121.999 121.223 -0.127 0.000 2.518 707 L HA 0.719 5.059 4.340 -0.000 0.000 0.257 707 L C -1.803 175.017 176.870 -0.084 0.000 0.980 707 L CA -0.912 53.853 54.840 -0.124 0.000 0.837 707 L CB 2.288 44.292 42.059 -0.092 0.000 1.410 707 L HN 0.858 nan 8.230 nan 0.000 0.410 708 L N 2.987 124.179 121.223 -0.051 0.000 2.406 708 L HA 0.567 4.907 4.340 -0.000 0.000 0.270 708 L C -0.789 176.180 176.870 0.164 0.000 0.982 708 L CA -0.658 54.234 54.840 0.087 0.000 0.843 708 L CB 1.660 43.751 42.059 0.054 0.000 1.225 708 L HN 0.453 nan 8.230 nan 0.000 0.412 709 K N 4.027 124.503 120.400 0.127 0.000 2.292 709 K HA 0.506 4.826 4.320 -0.000 0.000 0.257 709 K C -2.606 173.784 176.600 -0.350 0.000 0.940 709 K CA -1.884 54.387 56.287 -0.026 0.000 0.811 709 K CB 2.155 34.667 32.500 0.019 0.000 1.120 709 K HN 0.195 nan 8.250 nan 0.000 0.428 710 P HA -0.088 nan 4.420 nan 0.000 0.268 710 P C -0.977 176.177 177.300 -0.243 0.000 1.204 710 P CA 0.029 62.571 63.100 -0.930 0.000 0.768 710 P CB 0.466 31.937 31.700 -0.381 0.000 0.842 711 W N 5.587 126.717 121.300 -0.283 0.000 2.517 711 W HA 0.151 4.811 4.660 -0.000 0.000 0.301 711 W C -0.461 176.032 176.519 -0.044 0.000 1.002 711 W CA -0.342 56.939 57.345 -0.106 0.000 1.415 711 W CB 0.044 29.459 29.460 -0.076 0.000 1.275 711 W HN 0.537 nan 8.180 nan 0.000 0.413 712 N N 3.420 122.057 118.700 -0.106 0.000 2.741 712 N HA -0.328 4.412 4.740 -0.000 0.000 0.251 712 N C 0.397 175.904 175.510 -0.005 0.000 1.112 712 N CA 1.565 54.587 53.050 -0.046 0.000 0.750 712 N CB -2.013 36.475 38.487 0.001 0.000 1.119 712 N HN 0.526 nan 8.380 nan 0.000 0.561 713 F N 0.046 119.873 119.950 -0.205 0.000 2.206 713 F HA 0.171 4.697 4.527 -0.000 0.000 0.298 713 F C 0.872 176.349 175.800 -0.539 0.000 1.090 713 F CA 0.884 58.649 58.000 -0.392 0.000 1.323 713 F CB 0.179 38.812 39.000 -0.613 0.000 1.028 713 F HN -0.014 nan 8.300 nan 0.000 0.492 714 F N -0.027 119.929 119.950 0.010 0.000 2.535 714 F HA 0.273 4.800 4.527 -0.000 0.000 0.367 714 F C 1.241 176.988 175.800 -0.089 0.000 1.096 714 F CA -0.753 57.210 58.000 -0.062 0.000 1.088 714 F CB 0.193 39.155 39.000 -0.064 0.000 1.387 714 F HN -0.338 nan 8.300 nan 0.000 0.494 715 D N -0.767 119.721 120.400 0.146 0.000 2.407 715 D HA 0.114 4.754 4.640 -0.000 0.000 0.208 715 D C -0.172 176.131 176.300 0.005 0.000 1.083 715 D CA 0.468 54.488 54.000 0.033 0.000 0.844 715 D CB 0.496 41.306 40.800 0.015 0.000 0.967 715 D HN 0.707 nan 8.370 nan 0.000 0.506 716 E N -1.750 118.457 120.200 0.012 0.000 2.402 716 E HA 0.246 4.596 4.350 -0.000 0.000 0.270 716 E C -1.101 175.452 176.600 -0.078 0.000 1.131 716 E CA -0.829 55.544 56.400 -0.046 0.000 0.884 716 E CB 0.268 29.938 29.700 -0.051 0.000 1.564 716 E HN -0.330 nan 8.360 nan 0.000 0.456 717 T N 3.016 117.503 114.554 -0.111 0.000 2.778 717 T HA 0.034 4.384 4.350 -0.000 0.000 0.282 717 T C -1.664 172.946 174.700 -0.150 0.000 0.983 717 T CA -0.439 61.587 62.100 -0.125 0.000 1.193 717 T CB 0.173 68.950 68.868 -0.151 0.000 0.938 717 T HN 0.325 nan 8.240 nan 0.000 0.523 718 P HA -0.038 nan 4.420 nan 0.000 0.225 718 P C 1.247 178.433 177.300 -0.190 0.000 1.148 718 P CA 0.833 63.668 63.100 -0.441 0.000 0.779 718 P CB -0.093 30.958 31.700 -1.082 0.000 0.780 719 T N -4.515 110.010 114.554 -0.048 0.000 3.145 719 T HA 0.235 4.585 4.350 -0.000 0.000 0.255 719 T C 1.536 176.291 174.700 0.092 0.000 1.039 719 T CA -0.206 61.912 62.100 0.030 0.000 0.928 719 T CB -0.855 68.054 68.868 0.069 0.000 1.029 719 T HN -0.009 nan 8.240 nan 0.000 0.554 720 L N 1.151 122.414 121.223 0.067 0.000 2.141 720 L HA 0.260 4.600 4.340 -0.000 0.000 0.209 720 L C 1.617 178.510 176.870 0.038 0.000 1.094 720 L CA 1.206 56.090 54.840 0.072 0.000 0.763 720 L CB -0.881 41.178 42.059 0.000 0.000 0.908 720 L HN 0.752 nan 8.230 nan 0.000 0.437 721 G N -1.461 107.342 108.800 0.006 0.000 2.555 721 G HA2 0.073 4.033 3.960 -0.000 0.000 0.686 721 G HA3 0.073 4.033 3.960 -0.000 0.000 0.686 721 G C -0.564 174.332 174.900 -0.007 0.000 1.275 721 G CA -0.637 44.460 45.100 -0.006 0.000 0.871 721 G HN 0.357 nan 8.290 nan 0.000 0.603 722 A N -0.216 122.599 122.820 -0.009 0.000 2.425 722 A HA 0.656 4.976 4.320 -0.000 0.000 0.242 722 A C 0.881 178.462 177.584 -0.005 0.000 1.077 722 A CA 0.071 52.105 52.037 -0.005 0.000 0.781 722 A CB 0.208 19.204 19.000 -0.007 0.000 1.020 722 A HN 1.292 nan 8.150 nan 0.000 0.494 723 L N 1.871 123.091 121.223 -0.004 0.000 2.397 723 L HA 0.167 4.507 4.340 -0.000 0.000 0.271 723 L C 1.455 178.321 176.870 -0.005 0.000 1.148 723 L CA -0.365 54.472 54.840 -0.005 0.000 0.825 723 L CB 0.852 42.907 42.059 -0.006 0.000 1.117 723 L HN 0.869 nan 8.230 nan 0.000 0.456 724 K N 2.217 122.614 120.400 -0.005 0.000 2.062 724 K HA 0.034 4.354 4.320 -0.000 0.000 0.205 724 K C 0.508 177.104 176.600 -0.005 0.000 1.051 724 K CA 1.286 57.570 56.287 -0.005 0.000 0.941 724 K CB 0.051 32.548 32.500 -0.005 0.000 0.719 724 K HN 0.653 nan 8.250 nan 0.000 0.440 725 K N 0.000 120.397 120.400 -0.006 0.000 2.780 725 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 725 K CA 0.000 nan 56.287 nan 0.000 0.838 725 K CB 0.000 nan 32.500 nan 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543