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 1d6z_1_B DATA FIRST_RESID 6 DATA SEQUENCE HMVPMDKTLK EFGADVQWDD YAQLFTLIKD GAYVKVKPGA QTAIVNGQPL DATA SEQUENCE ALQVPVVMKD NKAWVSDTFI NDVFQSGLDQ TFQVEKRPHP LNALTADEIK DATA SEQUENCE QAVEIVKASA DFKPNTRFTE ISLLPPDKEA VWAFALENKP VDQPRKADVI DATA SEQUENCE MLDGKHIIEA VVDLQNNKLL SWQPIKDAHG MVLLDDFASV QNIINNSEEF DATA SEQUENCE AAAVKKRGIT DAKKVITTPL TVGYFDGKDG LKQDARLLKV ISYLDVGDGN DATA SEQUENCE YWAHPIENLV AVVDLEQKKI VKIEEGPVVP VPMTARPFDG RDRVAPAVKP DATA SEQUENCE MQIIEPEGKN YTITGDMIHW RNWDFHLSMN SRVGPMISTV TYNDNGTKRK DATA SEQUENCE VMYEGSLGGM IVPYGDPDIG WYFKAYLDSG DYGMGTLTSP IARGKDAPSN DATA SEQUENCE AVLLNETIAD YTGVPMEIPR AIAVFERYAG PEYKHQEMGQ PNVSTERREL DATA SEQUENCE VVRWISTVGN XDYIFDWIFH ENGTIGIDAG ATGIEAVKGV KAKTMHDETA DATA SEQUENCE KDDTRYGTLI DHNIVGTTHQ HIYNFRLDLD VDGENNSLVA MDPVVKPNTA DATA SEQUENCE GGPRTSTMQV NQYNIGNEQD AAQKFDPGTI RLLSNPNKEN RMGNPVSYQI DATA SEQUENCE IPYAGGTHPV AKGAQFAPDE WIYHRLSFMD KQLWVTRYHP GERFPEGKYP DATA SEQUENCE NRSTHDTGLG QYSKDNESLD NTDAVVWMTT GTTHVARAEE WPIMPTEWVH DATA SEQUENCE TLLKPWNFFD ETPTLGALKK 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.349 175.328 0.035 0.000 0.993 6 H CA 0.000 56.053 56.048 0.009 0.000 1.023 6 H CB 0.000 29.767 29.762 0.008 0.000 1.292 7 M N 0.653 120.132 119.600 -0.202 0.000 2.719 7 M HA 0.614 5.094 4.480 0.001 0.000 0.291 7 M C -0.918 175.396 176.300 0.024 0.000 1.264 7 M CA -1.283 53.923 55.300 -0.157 0.000 0.811 7 M CB 3.256 35.870 32.600 0.024 0.000 1.756 7 M HN 0.407 nan 8.290 nan 0.000 0.464 8 V N 1.648 121.625 119.914 0.104 0.000 2.962 8 V HA 0.654 4.774 4.120 0.001 0.000 0.313 8 V C -2.476 173.564 176.094 -0.089 0.000 1.099 8 V CA -2.221 60.148 62.300 0.114 0.000 0.971 8 V CB 2.898 34.697 31.823 -0.042 0.000 1.028 8 V HN 0.632 nan 8.190 nan 0.000 0.430 9 P HA 0.043 nan 4.420 nan 0.000 0.263 9 P C 0.558 177.514 177.300 -0.574 0.000 1.195 9 P CA 0.297 62.797 63.100 -1.000 0.000 0.762 9 P CB 0.794 31.955 31.700 -0.899 0.000 0.799 10 M N 3.205 122.442 119.600 -0.604 0.000 2.067 10 M HA -0.214 4.267 4.480 0.001 0.000 0.260 10 M C 1.074 177.142 176.300 -0.387 0.000 1.069 10 M CA 2.206 57.202 55.300 -0.506 0.000 1.117 10 M CB -0.483 31.734 32.600 -0.639 0.000 1.334 10 M HN 0.202 nan 8.290 nan 0.000 0.407 11 D N 0.269 120.457 120.400 -0.353 0.000 2.108 11 D HA -0.229 4.412 4.640 0.001 0.000 0.190 11 D C 1.849 178.050 176.300 -0.165 0.000 0.995 11 D CA 1.889 55.760 54.000 -0.215 0.000 0.834 11 D CB -0.238 40.464 40.800 -0.165 0.000 0.967 11 D HN 0.314 nan 8.370 nan 0.000 0.446 12 K N -0.165 120.123 120.400 -0.187 0.000 2.015 12 K HA -0.228 4.093 4.320 0.001 0.000 0.216 12 K C 1.998 178.537 176.600 -0.102 0.000 1.052 12 K CA 2.170 58.377 56.287 -0.134 0.000 0.937 12 K CB -0.391 32.017 32.500 -0.153 0.000 0.719 12 K HN 0.094 nan 8.250 nan 0.000 0.446 13 T N 2.014 116.489 114.554 -0.132 0.000 2.665 13 T HA -0.169 4.182 4.350 0.001 0.000 0.268 13 T C 1.856 176.538 174.700 -0.030 0.000 1.035 13 T CA 1.733 63.781 62.100 -0.086 0.000 1.151 13 T CB -0.205 68.587 68.868 -0.127 0.000 0.862 13 T HN 0.195 nan 8.240 nan 0.000 0.438 14 L N -0.019 121.173 121.223 -0.052 0.000 2.056 14 L HA -0.090 4.250 4.340 0.001 0.000 0.207 14 L C 2.670 179.577 176.870 0.062 0.000 1.078 14 L CA 1.171 56.033 54.840 0.038 0.000 0.749 14 L CB -0.398 41.664 42.059 0.004 0.000 0.901 14 L HN 0.119 nan 8.230 nan 0.000 0.433 15 K N 0.108 120.509 120.400 0.002 0.000 2.057 15 K HA -0.149 4.171 4.320 0.001 0.000 0.207 15 K C 2.060 178.661 176.600 0.001 0.000 1.049 15 K CA 1.079 57.363 56.287 -0.005 0.000 0.931 15 K CB -0.258 32.229 32.500 -0.022 0.000 0.714 15 K HN 0.194 nan 8.250 nan 0.000 0.440 16 E N -0.258 119.950 120.200 0.014 0.000 2.097 16 E HA -0.209 4.141 4.350 0.001 0.000 0.196 16 E C 1.888 178.522 176.600 0.058 0.000 1.000 16 E CA 0.990 57.405 56.400 0.024 0.000 0.804 16 E CB -0.370 29.346 29.700 0.027 0.000 0.740 16 E HN 0.295 nan 8.360 nan 0.000 0.454 17 F N 0.788 120.681 119.950 -0.094 0.000 2.451 17 F HA 0.056 4.583 4.527 0.001 0.000 0.299 17 F C 1.395 177.108 175.800 -0.146 0.000 1.101 17 F CA 1.445 59.367 58.000 -0.130 0.000 1.436 17 F CB 0.055 38.947 39.000 -0.180 0.000 1.074 17 F HN 0.149 nan 8.300 nan 0.000 0.553 18 G N 0.232 108.920 108.800 -0.185 0.000 2.130 18 G HA2 -0.011 3.949 3.960 0.001 0.000 0.216 18 G HA3 -0.011 3.949 3.960 0.001 0.000 0.216 18 G C 0.131 174.880 174.900 -0.251 0.000 0.999 18 G CA 0.017 44.965 45.100 -0.253 0.000 0.686 18 G HN 0.853 nan 8.290 nan 0.000 0.515 19 A N -0.376 122.355 122.820 -0.149 0.000 2.312 19 A HA 0.712 5.033 4.320 0.001 0.000 0.328 19 A C -0.095 177.496 177.584 0.011 0.000 1.158 19 A CA 0.171 52.169 52.037 -0.066 0.000 0.821 19 A CB 0.963 19.976 19.000 0.022 0.000 1.170 19 A HN 0.492 nan 8.150 nan 0.000 0.490 20 D N 0.787 121.211 120.400 0.039 0.000 2.308 20 D HA 0.427 5.068 4.640 0.001 0.000 0.251 20 D C -0.732 175.620 176.300 0.086 0.000 1.127 20 D CA 0.239 54.270 54.000 0.053 0.000 0.876 20 D CB 0.948 41.780 40.800 0.055 0.000 1.176 20 D HN 0.181 nan 8.370 nan 0.000 0.446 21 V N 4.385 124.353 119.914 0.091 0.000 2.384 21 V HA 0.361 4.482 4.120 0.001 0.000 0.287 21 V C -0.381 175.827 176.094 0.191 0.000 1.020 21 V CA -0.678 61.705 62.300 0.137 0.000 0.850 21 V CB 1.277 33.157 31.823 0.095 0.000 0.987 21 V HN 0.541 nan 8.190 nan 0.000 0.436 22 Q N 4.389 124.338 119.800 0.248 0.000 2.330 22 Q HA 0.425 4.765 4.340 0.001 0.000 0.269 22 Q C -1.110 175.096 176.000 0.342 0.000 1.022 22 Q CA -0.268 55.674 55.803 0.232 0.000 0.796 22 Q CB 2.788 31.602 28.738 0.128 0.000 1.271 22 Q HN 0.861 nan 8.270 nan 0.000 0.450 23 W N 4.217 125.549 121.300 0.053 0.000 2.417 23 W HA 0.349 5.010 4.660 0.001 0.000 0.315 23 W C -1.380 175.062 176.519 -0.129 0.000 1.045 23 W CA -0.568 56.683 57.345 -0.155 0.000 1.221 23 W CB 1.406 30.743 29.460 -0.205 0.000 1.309 23 W HN 0.627 nan 8.180 nan 0.000 0.453 24 D N 4.543 124.366 120.400 -0.962 0.000 2.427 24 D HA 0.029 4.670 4.640 0.001 0.000 0.226 24 D C 0.629 176.189 176.300 -1.233 0.000 1.076 24 D CA 0.059 53.589 54.000 -0.782 0.000 0.849 24 D CB 1.200 41.739 40.800 -0.435 0.000 1.052 24 D HN 0.523 nan 8.370 nan 0.000 0.515 25 D N 2.553 122.430 120.400 -0.872 0.000 2.144 25 D HA -0.252 4.389 4.640 0.001 0.000 0.199 25 D C 1.512 177.656 176.300 -0.260 0.000 0.984 25 D CA 1.116 54.818 54.000 -0.498 0.000 0.834 25 D CB -0.013 40.756 40.800 -0.052 0.000 0.955 25 D HN 0.510 nan 8.370 nan 0.000 0.465 26 Y N 0.557 120.684 120.300 -0.288 0.000 2.163 26 Y HA 0.006 4.556 4.550 0.001 0.000 0.288 26 Y C 1.996 177.774 175.900 -0.203 0.000 1.136 26 Y CA 1.832 59.821 58.100 -0.184 0.000 1.147 26 Y CB -0.471 37.905 38.460 -0.140 0.000 0.987 26 Y HN 0.021 nan 8.280 nan 0.000 0.509 27 A N -0.780 121.870 122.820 -0.284 0.000 2.218 27 A HA 0.049 4.370 4.320 0.001 0.000 0.209 27 A C 0.716 178.078 177.584 -0.370 0.000 1.168 27 A CA 0.558 52.394 52.037 -0.335 0.000 0.804 27 A CB -0.184 18.703 19.000 -0.189 0.000 0.834 27 A HN 0.511 nan 8.150 nan 0.000 0.482 28 Q N -1.982 117.494 119.800 -0.540 0.000 2.451 28 Q HA -0.205 4.136 4.340 0.001 0.000 0.305 28 Q C -0.780 174.950 176.000 -0.449 0.000 1.345 28 Q CA 0.938 56.434 55.803 -0.513 0.000 0.854 28 Q CB -1.950 26.715 28.738 -0.123 0.000 1.162 28 Q HN 0.586 nan 8.270 nan 0.000 0.440 29 L N -0.387 120.402 121.223 -0.724 0.000 2.408 29 L HA 0.682 5.023 4.340 0.001 0.000 0.268 29 L C -1.111 175.606 176.870 -0.255 0.000 0.986 29 L CA -0.566 54.096 54.840 -0.297 0.000 0.820 29 L CB 1.365 43.324 42.059 -0.167 0.000 1.303 29 L HN -0.000 nan 8.230 nan 0.000 0.411 30 F N 2.192 122.244 119.950 0.171 0.000 2.404 30 F HA 0.648 5.176 4.527 0.001 0.000 0.339 30 F C 0.439 176.290 175.800 0.086 0.000 1.105 30 F CA -0.216 57.920 58.000 0.227 0.000 1.087 30 F CB 2.116 41.272 39.000 0.260 0.000 1.143 30 F HN 0.374 nan 8.300 nan 0.000 0.491 31 T N 5.324 120.034 114.554 0.260 0.000 2.809 31 T HA 0.610 4.961 4.350 0.001 0.000 0.284 31 T C -0.609 174.125 174.700 0.057 0.000 0.992 31 T CA -0.556 61.570 62.100 0.043 0.000 0.957 31 T CB 0.561 69.402 68.868 -0.044 0.000 0.942 31 T HN 0.281 nan 8.240 nan 0.000 0.439 32 L N 4.563 125.794 121.223 0.013 0.000 2.341 32 L HA 0.685 5.026 4.340 0.001 0.000 0.278 32 L C -0.605 176.315 176.870 0.084 0.000 1.005 32 L CA -0.957 53.960 54.840 0.128 0.000 0.818 32 L CB 1.659 43.896 42.059 0.298 0.000 1.259 32 L HN 0.492 nan 8.230 nan 0.000 0.418 33 I N 3.338 123.985 120.570 0.129 0.000 2.498 33 I HA 0.460 4.631 4.170 0.001 0.000 0.290 33 I C -0.611 175.612 176.117 0.176 0.000 1.032 33 I CA -0.650 60.738 61.300 0.147 0.000 1.073 33 I CB 2.227 40.289 38.000 0.103 0.000 1.251 33 I HN 0.429 nan 8.210 nan 0.000 0.426 34 K N 5.878 126.418 120.400 0.233 0.000 2.690 34 K HA 0.317 4.638 4.320 0.001 0.000 0.264 34 K C -0.565 176.135 176.600 0.167 0.000 1.040 34 K CA -0.213 56.133 56.287 0.098 0.000 0.946 34 K CB 0.602 33.049 32.500 -0.088 0.000 1.268 34 K HN 0.669 nan 8.250 nan 0.000 0.473 35 D N 2.060 122.539 120.400 0.132 0.000 3.771 35 D HA -0.266 4.374 4.640 0.001 0.000 0.145 35 D C 0.918 177.358 176.300 0.232 0.000 0.892 35 D CA 2.224 56.341 54.000 0.195 0.000 1.080 35 D CB -1.009 39.929 40.800 0.231 0.000 0.498 35 D HN 0.668 nan 8.370 nan 0.000 0.499 36 G N 0.465 109.425 108.800 0.266 0.000 2.848 36 G HA2 0.337 4.298 3.960 0.001 0.000 0.208 36 G HA3 0.337 4.298 3.960 0.001 0.000 0.208 36 G C 0.343 175.370 174.900 0.211 0.000 1.152 36 G CA 1.018 46.237 45.100 0.197 0.000 0.789 36 G HN 0.634 nan 8.290 nan 0.000 0.531 37 A N 0.124 123.112 122.820 0.279 0.000 2.249 37 A HA 0.612 4.932 4.320 0.001 0.000 0.314 37 A C -1.520 176.245 177.584 0.301 0.000 1.290 37 A CA -0.691 51.517 52.037 0.284 0.000 0.893 37 A CB 0.538 19.767 19.000 0.382 0.000 1.165 37 A HN 0.276 nan 8.150 nan 0.000 0.530 38 Y N 3.528 123.899 120.300 0.118 0.000 2.388 38 Y HA 0.524 5.075 4.550 0.001 0.000 0.328 38 Y C -0.847 175.096 175.900 0.071 0.000 0.963 38 Y CA -0.524 57.641 58.100 0.108 0.000 1.240 38 Y CB 1.226 39.733 38.460 0.079 0.000 1.118 38 Y HN 0.447 nan 8.280 nan 0.000 0.484 39 V N 6.160 125.989 119.914 -0.141 0.000 2.581 39 V HA 0.517 4.638 4.120 0.001 0.000 0.303 39 V C -0.730 175.312 176.094 -0.087 0.000 1.041 39 V CA -1.142 61.105 62.300 -0.087 0.000 0.907 39 V CB 1.859 33.613 31.823 -0.116 0.000 0.994 39 V HN 0.598 nan 8.190 nan 0.000 0.442 40 K N 2.632 123.041 120.400 0.015 0.000 2.426 40 K HA 0.805 5.125 4.320 0.001 0.000 0.254 40 K C -1.655 175.015 176.600 0.116 0.000 0.936 40 K CA -0.629 55.700 56.287 0.071 0.000 0.801 40 K CB 2.574 35.128 32.500 0.090 0.000 1.139 40 K HN 0.449 nan 8.250 nan 0.000 0.424 41 V N 3.084 123.115 119.914 0.194 0.000 2.851 41 V HA 0.396 4.517 4.120 0.001 0.000 0.307 41 V C -1.734 174.543 176.094 0.305 0.000 1.129 41 V CA -0.739 61.700 62.300 0.233 0.000 0.932 41 V CB 1.961 33.956 31.823 0.285 0.000 1.024 41 V HN 0.664 nan 8.190 nan 0.000 0.426 42 K N 6.386 126.925 120.400 0.232 0.000 2.138 42 K HA 0.591 4.911 4.320 0.001 0.000 0.263 42 K C -2.729 174.024 176.600 0.255 0.000 0.965 42 K CA -1.842 54.583 56.287 0.231 0.000 0.868 42 K CB 1.800 34.374 32.500 0.124 0.000 1.083 42 K HN 0.443 nan 8.250 nan 0.000 0.443 43 P HA -0.051 nan 4.420 nan 0.000 0.265 43 P C 0.595 177.987 177.300 0.154 0.000 1.193 43 P CA 0.840 64.084 63.100 0.241 0.000 0.765 43 P CB 0.586 32.431 31.700 0.243 0.000 0.823 44 G N 1.827 110.701 108.800 0.123 0.000 2.245 44 G HA2 -0.258 3.702 3.960 0.001 0.000 0.264 44 G HA3 -0.258 3.702 3.960 0.001 0.000 0.264 44 G C 0.489 175.438 174.900 0.080 0.000 0.985 44 G CA 0.101 45.254 45.100 0.088 0.000 0.625 44 G HN 0.865 nan 8.290 nan 0.000 0.536 45 A N 0.005 122.883 122.820 0.096 0.000 2.425 45 A HA 0.630 4.951 4.320 0.001 0.000 0.249 45 A C 1.342 178.969 177.584 0.072 0.000 1.084 45 A CA 0.680 52.764 52.037 0.079 0.000 0.781 45 A CB 0.404 19.456 19.000 0.087 0.000 1.019 45 A HN 0.265 nan 8.150 nan 0.000 0.490 46 Q N 0.214 120.045 119.800 0.051 0.000 2.311 46 Q HA -0.020 4.320 4.340 0.001 0.000 0.203 46 Q C 0.818 176.839 176.000 0.035 0.000 0.954 46 Q CA 1.543 57.370 55.803 0.041 0.000 0.885 46 Q CB -0.092 28.662 28.738 0.028 0.000 0.963 46 Q HN 0.966 nan 8.270 nan 0.000 0.471 47 T N -3.030 111.546 114.554 0.037 0.000 2.916 47 T HA 0.811 5.161 4.350 0.001 0.000 0.292 47 T C -0.733 173.988 174.700 0.036 0.000 1.064 47 T CA -0.638 61.476 62.100 0.023 0.000 1.011 47 T CB 2.435 71.310 68.868 0.012 0.000 1.152 47 T HN 0.060 nan 8.240 nan 0.000 0.510 48 A N 1.380 124.206 122.820 0.011 0.000 2.435 48 A HA 0.814 5.134 4.320 0.001 0.000 0.296 48 A C -1.025 176.557 177.584 -0.003 0.000 1.147 48 A CA -1.019 51.029 52.037 0.019 0.000 0.775 48 A CB 1.193 20.187 19.000 -0.010 0.000 1.340 48 A HN 0.788 nan 8.150 nan 0.000 0.427 49 I N 1.344 121.922 120.570 0.014 0.000 2.378 49 I HA 0.438 4.609 4.170 0.001 0.000 0.291 49 I C -0.756 175.366 176.117 0.009 0.000 0.992 49 I CA -0.583 60.729 61.300 0.020 0.000 1.154 49 I CB 1.054 39.088 38.000 0.057 0.000 1.315 49 I HN 0.235 nan 8.210 nan 0.000 0.448 50 V N 6.178 126.088 119.914 -0.006 0.000 2.376 50 V HA 0.356 4.476 4.120 0.001 0.000 0.287 50 V C 0.463 176.582 176.094 0.041 0.000 1.015 50 V CA -0.840 61.455 62.300 -0.009 0.000 0.834 50 V CB 0.941 32.714 31.823 -0.082 0.000 1.001 50 V HN 0.887 nan 8.190 nan 0.000 0.428 51 N N 4.117 122.880 118.700 0.106 0.000 2.714 51 N HA -0.249 4.492 4.740 0.001 0.000 0.252 51 N C 1.178 176.719 175.510 0.051 0.000 1.014 51 N CA 0.438 53.542 53.050 0.090 0.000 0.735 51 N CB -0.633 37.890 38.487 0.061 0.000 0.924 51 N HN 1.370 nan 8.380 nan 0.000 0.540 52 G N -1.196 107.642 108.800 0.064 0.000 2.184 52 G HA2 -0.342 3.619 3.960 0.001 0.000 0.264 52 G HA3 -0.342 3.619 3.960 0.001 0.000 0.264 52 G C -0.108 174.807 174.900 0.024 0.000 0.975 52 G CA 0.532 45.654 45.100 0.038 0.000 0.642 52 G HN 0.436 nan 8.290 nan 0.000 0.536 53 Q N 0.701 120.512 119.800 0.019 0.000 2.282 53 Q HA 0.461 4.802 4.340 0.001 0.000 0.260 53 Q C -2.436 173.564 176.000 -0.001 0.000 0.964 53 Q CA -2.019 53.788 55.803 0.006 0.000 0.880 53 Q CB 2.468 31.206 28.738 -0.000 0.000 1.286 53 Q HN 0.336 nan 8.270 nan 0.000 0.445 54 P HA 0.170 nan 4.420 nan 0.000 0.276 54 P C -0.874 176.413 177.300 -0.023 0.000 1.230 54 P CA -0.443 62.653 63.100 -0.007 0.000 0.776 54 P CB 0.869 32.568 31.700 -0.002 0.000 0.888 55 L N 3.353 124.555 121.223 -0.035 0.000 2.409 55 L HA 0.662 5.003 4.340 0.001 0.000 0.272 55 L C -0.730 176.111 176.870 -0.049 0.000 0.980 55 L CA -0.928 53.877 54.840 -0.058 0.000 0.826 55 L CB 1.714 43.710 42.059 -0.104 0.000 1.268 55 L HN 0.435 nan 8.230 nan 0.000 0.407 56 A N 6.029 128.825 122.820 -0.041 0.000 2.362 56 A HA 0.637 4.958 4.320 0.001 0.000 0.276 56 A C -0.642 176.918 177.584 -0.040 0.000 1.153 56 A CA -0.353 51.667 52.037 -0.027 0.000 0.813 56 A CB -0.056 18.933 19.000 -0.018 0.000 1.081 56 A HN 0.750 nan 8.150 nan 0.000 0.507 57 L N 2.197 123.407 121.223 -0.022 0.000 2.325 57 L HA 0.296 4.636 4.340 0.001 0.000 0.279 57 L C 1.534 178.407 176.870 0.005 0.000 1.054 57 L CA -0.523 54.306 54.840 -0.019 0.000 0.804 57 L CB 1.643 43.719 42.059 0.029 0.000 1.200 57 L HN 1.016 nan 8.230 nan 0.000 0.436 58 Q N 1.200 121.003 119.800 0.004 0.000 2.389 58 Q HA 0.116 4.456 4.340 0.001 0.000 0.204 58 Q C -0.305 175.714 176.000 0.032 0.000 0.944 58 Q CA 0.525 56.336 55.803 0.014 0.000 0.908 58 Q CB 0.350 29.092 28.738 0.007 0.000 1.002 58 Q HN 0.397 nan 8.270 nan 0.000 0.493 59 V N 2.224 122.171 119.914 0.055 0.000 2.532 59 V HA 0.374 4.495 4.120 0.001 0.000 0.294 59 V C -2.522 173.636 176.094 0.106 0.000 1.036 59 V CA -2.010 60.331 62.300 0.069 0.000 0.876 59 V CB 1.819 33.682 31.823 0.067 0.000 1.012 59 V HN 0.073 nan 8.190 nan 0.000 0.432 60 P HA 0.197 nan 4.420 nan 0.000 0.272 60 P C -0.317 177.043 177.300 0.101 0.000 1.230 60 P CA -0.201 62.962 63.100 0.106 0.000 0.788 60 P CB 0.586 32.334 31.700 0.079 0.000 0.949 61 V N 2.579 122.559 119.914 0.110 0.000 2.529 61 V HA 0.032 4.152 4.120 0.001 0.000 0.292 61 V C 0.402 176.541 176.094 0.074 0.000 1.028 61 V CA 0.216 62.538 62.300 0.036 0.000 1.074 61 V CB 0.633 32.473 31.823 0.029 0.000 0.958 61 V HN 0.208 nan 8.190 nan 0.000 0.481 62 V N 6.683 126.640 119.914 0.072 0.000 2.435 62 V HA 0.445 4.566 4.120 0.001 0.000 0.290 62 V C 0.018 176.199 176.094 0.146 0.000 1.030 62 V CA -0.601 61.757 62.300 0.096 0.000 0.881 62 V CB 1.588 33.451 31.823 0.067 0.000 0.983 62 V HN 0.855 nan 8.190 nan 0.000 0.445 63 M N 5.820 125.488 119.600 0.113 0.000 2.149 63 M HA 0.483 4.964 4.480 0.001 0.000 0.342 63 M C -0.663 175.694 176.300 0.095 0.000 1.068 63 M CA -0.050 55.312 55.300 0.104 0.000 0.991 63 M CB 0.681 33.311 32.600 0.051 0.000 1.596 63 M HN 0.516 nan 8.290 nan 0.000 0.439 64 K N 4.019 124.510 120.400 0.151 0.000 2.545 64 K HA 0.306 4.626 4.320 0.001 0.000 0.252 64 K C -1.084 175.578 176.600 0.103 0.000 0.948 64 K CA -0.646 55.694 56.287 0.088 0.000 0.827 64 K CB 1.272 33.770 32.500 -0.003 0.000 1.128 64 K HN 0.737 nan 8.250 nan 0.000 0.429 65 D N 3.295 123.725 120.400 0.050 0.000 2.686 65 D HA -0.222 4.418 4.640 0.001 0.000 0.235 65 D C -0.277 176.045 176.300 0.036 0.000 1.160 65 D CA 0.772 54.797 54.000 0.042 0.000 0.645 65 D CB -0.764 40.065 40.800 0.048 0.000 1.039 65 D HN 0.874 nan 8.370 nan 0.000 0.423 66 N N -1.558 117.148 118.700 0.010 0.000 2.909 66 N HA -0.201 4.540 4.740 0.001 0.000 0.242 66 N C -0.216 175.247 175.510 -0.079 0.000 0.975 66 N CA 1.245 54.267 53.050 -0.046 0.000 0.921 66 N CB -0.579 37.890 38.487 -0.030 0.000 1.112 66 N HN 0.537 nan 8.380 nan 0.000 0.581 67 K N 0.615 121.022 120.400 0.010 0.000 2.244 67 K HA 0.673 4.993 4.320 0.001 0.000 0.260 67 K C -0.186 176.426 176.600 0.021 0.000 0.951 67 K CA -0.324 55.955 56.287 -0.014 0.000 0.826 67 K CB 1.964 34.530 32.500 0.111 0.000 1.108 67 K HN 0.165 nan 8.250 nan 0.000 0.433 68 A N 2.977 125.690 122.820 -0.179 0.000 2.310 68 A HA 0.584 4.904 4.320 0.001 0.000 0.299 68 A C -1.494 175.853 177.584 -0.394 0.000 1.147 68 A CA -0.401 51.552 52.037 -0.139 0.000 0.818 68 A CB 0.213 19.108 19.000 -0.174 0.000 1.096 68 A HN 0.677 nan 8.150 nan 0.000 0.495 69 W N 0.674 121.863 121.300 -0.185 0.000 2.915 69 W HA 0.551 5.212 4.660 0.001 0.000 0.337 69 W C -0.395 175.978 176.519 -0.244 0.000 1.102 69 W CA -0.527 56.701 57.345 -0.195 0.000 1.224 69 W CB 1.910 31.293 29.460 -0.128 0.000 1.416 69 W HN 0.735 nan 8.180 nan 0.000 0.503 70 V N -0.579 119.280 119.914 -0.092 0.000 3.102 70 V HA 0.751 4.871 4.120 0.001 0.000 0.312 70 V C 0.048 176.105 176.094 -0.062 0.000 1.135 70 V CA -1.167 61.020 62.300 -0.189 0.000 1.022 70 V CB 1.164 32.623 31.823 -0.607 0.000 1.056 70 V HN 0.502 nan 8.190 nan 0.000 0.436 71 S N 0.853 116.559 115.700 0.009 0.000 2.584 71 S HA 0.069 4.539 4.470 0.001 0.000 0.270 71 S C 1.037 175.627 174.600 -0.016 0.000 1.346 71 S CA 0.418 58.620 58.200 0.003 0.000 1.018 71 S CB 0.462 63.699 63.200 0.061 0.000 0.899 71 S HN 1.123 nan 8.310 nan 0.000 0.542 72 D N 1.432 121.776 120.400 -0.094 0.000 2.378 72 D HA -0.082 4.558 4.640 0.001 0.000 0.227 72 D C 1.327 177.625 176.300 -0.003 0.000 1.012 72 D CA 1.152 55.106 54.000 -0.077 0.000 0.905 72 D CB -0.570 40.160 40.800 -0.116 0.000 0.895 72 D HN 0.591 nan 8.370 nan 0.000 0.532 73 T N -3.850 110.720 114.554 0.026 0.000 3.054 73 T HA 0.082 4.433 4.350 0.001 0.000 0.255 73 T C 1.498 176.221 174.700 0.039 0.000 1.035 73 T CA -0.583 61.531 62.100 0.023 0.000 0.941 73 T CB -0.687 68.189 68.868 0.013 0.000 1.026 73 T HN 0.020 nan 8.240 nan 0.000 0.533 74 F N 2.647 122.554 119.950 -0.072 0.000 2.065 74 F HA -0.002 4.526 4.527 0.001 0.000 0.298 74 F C 1.826 177.584 175.800 -0.071 0.000 1.112 74 F CA 1.346 59.303 58.000 -0.072 0.000 1.212 74 F CB -0.416 38.540 39.000 -0.074 0.000 0.975 74 F HN 0.090 nan 8.300 nan 0.000 0.476 75 I N 0.417 121.098 120.570 0.185 0.000 2.208 75 I HA -0.382 3.789 4.170 0.001 0.000 0.245 75 I C 2.138 178.221 176.117 -0.056 0.000 1.097 75 I CA 1.524 62.839 61.300 0.025 0.000 1.363 75 I CB -0.683 37.096 38.000 -0.369 0.000 1.051 75 I HN 0.279 nan 8.210 nan 0.000 0.413 76 N N 0.753 119.406 118.700 -0.079 0.000 2.106 76 N HA -0.157 4.584 4.740 0.001 0.000 0.188 76 N C 1.418 176.884 175.510 -0.073 0.000 1.029 76 N CA 1.387 54.407 53.050 -0.049 0.000 0.848 76 N CB -0.369 38.098 38.487 -0.033 0.000 1.007 76 N HN 0.368 nan 8.380 nan 0.000 0.423 77 D N 0.702 121.024 120.400 -0.129 0.000 2.117 77 D HA -0.074 4.566 4.640 0.001 0.000 0.197 77 D C 2.100 178.245 176.300 -0.258 0.000 0.987 77 D CA 0.652 54.550 54.000 -0.170 0.000 0.829 77 D CB -0.097 40.593 40.800 -0.183 0.000 0.961 77 D HN 0.053 nan 8.370 nan 0.000 0.460 78 V N 0.362 120.017 119.914 -0.432 0.000 2.273 78 V HA -0.147 3.974 4.120 0.001 0.000 0.242 78 V C 2.075 177.874 176.094 -0.490 0.000 1.035 78 V CA 1.134 63.074 62.300 -0.600 0.000 1.013 78 V CB -0.611 30.574 31.823 -1.063 0.000 0.652 78 V HN 0.020 nan 8.190 nan 0.000 0.452 79 F N -0.132 119.741 119.950 -0.128 0.000 2.502 79 F HA -0.001 4.526 4.527 0.001 0.000 0.298 79 F C 1.728 177.547 175.800 0.032 0.000 1.111 79 F CA 0.739 58.748 58.000 0.014 0.000 1.445 79 F CB -0.189 38.886 39.000 0.125 0.000 1.081 79 F HN 0.209 nan 8.300 nan 0.000 0.558 80 Q N -1.047 118.811 119.800 0.097 0.000 2.182 80 Q HA 0.129 4.470 4.340 0.001 0.000 0.305 80 Q C 1.656 177.663 176.000 0.013 0.000 0.880 80 Q CA 0.034 55.880 55.803 0.071 0.000 1.131 80 Q CB 0.374 29.148 28.738 0.060 0.000 1.237 80 Q HN 0.222 nan 8.270 nan 0.000 0.447 81 S N -1.564 114.122 115.700 -0.023 0.000 2.377 81 S HA 0.141 4.612 4.470 0.001 0.000 0.223 81 S C 1.644 176.237 174.600 -0.012 0.000 1.030 81 S CA 0.975 59.149 58.200 -0.044 0.000 0.970 81 S CB 0.069 63.215 63.200 -0.091 0.000 0.830 81 S HN 0.508 nan 8.310 nan 0.000 0.473 82 G N 0.786 109.593 108.800 0.012 0.000 2.284 82 G HA2 -0.183 3.778 3.960 0.001 0.000 0.201 82 G HA3 -0.183 3.778 3.960 0.001 0.000 0.201 82 G C 0.708 175.622 174.900 0.023 0.000 0.998 82 G CA 0.134 45.250 45.100 0.027 0.000 0.651 82 G HN 0.442 nan 8.290 nan 0.000 0.489 83 L N 0.990 122.215 121.223 0.005 0.000 2.275 83 L HA 0.145 4.485 4.340 0.001 0.000 0.215 83 L C 1.039 177.924 176.870 0.024 0.000 1.119 83 L CA 1.114 55.956 54.840 0.003 0.000 0.790 83 L CB -0.080 41.968 42.059 -0.018 0.000 0.919 83 L HN 0.265 nan 8.230 nan 0.000 0.443 84 D N 0.343 120.771 120.400 0.046 0.000 2.380 84 D HA 0.063 4.704 4.640 0.001 0.000 0.230 84 D C 0.494 176.850 176.300 0.094 0.000 1.154 84 D CA -0.067 53.983 54.000 0.083 0.000 0.859 84 D CB 0.980 41.861 40.800 0.135 0.000 1.045 84 D HN 0.161 nan 8.370 nan 0.000 0.495 85 Q N 2.081 121.917 119.800 0.061 0.000 2.246 85 Q HA 0.051 4.392 4.340 0.001 0.000 0.202 85 Q C 1.285 177.307 176.000 0.037 0.000 0.883 85 Q CA -0.013 55.822 55.803 0.053 0.000 0.952 85 Q CB 0.442 29.196 28.738 0.025 0.000 1.078 85 Q HN 0.456 nan 8.270 nan 0.000 0.493 86 T N 0.808 115.382 114.554 0.033 0.000 2.665 86 T HA -0.139 4.212 4.350 0.001 0.000 0.268 86 T C 0.245 174.824 174.700 -0.201 0.000 1.035 86 T CA 1.325 63.365 62.100 -0.100 0.000 1.151 86 T CB -0.093 68.726 68.868 -0.082 0.000 0.862 86 T HN 0.135 nan 8.240 nan 0.000 0.438 87 F N 1.397 121.385 119.950 0.063 0.000 2.420 87 F HA 0.491 5.019 4.527 0.001 0.000 0.342 87 F C 0.491 176.316 175.800 0.042 0.000 1.113 87 F CA -0.968 57.065 58.000 0.055 0.000 1.059 87 F CB 1.087 40.120 39.000 0.056 0.000 1.128 87 F HN -0.143 nan 8.300 nan 0.000 0.475 88 Q N 2.113 122.024 119.800 0.185 0.000 2.413 88 Q HA 0.483 4.823 4.340 0.001 0.000 0.276 88 Q C -0.852 175.218 176.000 0.116 0.000 1.099 88 Q CA -1.054 54.820 55.803 0.119 0.000 0.814 88 Q CB 2.675 31.453 28.738 0.067 0.000 1.379 88 Q HN 0.553 nan 8.270 nan 0.000 0.436 89 V N -1.327 118.640 119.914 0.088 0.000 2.530 89 V HA 0.308 4.428 4.120 0.001 0.000 0.282 89 V C 0.230 176.367 176.094 0.071 0.000 1.048 89 V CA -0.567 61.779 62.300 0.076 0.000 0.997 89 V CB 0.885 32.743 31.823 0.059 0.000 0.987 89 V HN 0.791 nan 8.190 nan 0.000 0.477 90 E N 3.442 123.688 120.200 0.077 0.000 2.257 90 E HA 0.166 4.516 4.350 0.001 0.000 0.278 90 E C 0.746 177.395 176.600 0.082 0.000 1.049 90 E CA -0.259 56.194 56.400 0.088 0.000 0.876 90 E CB 1.040 30.801 29.700 0.103 0.000 1.035 90 E HN 0.870 nan 8.360 nan 0.000 0.419 91 K N 4.046 124.494 120.400 0.080 0.000 2.211 91 K HA 0.018 4.339 4.320 0.001 0.000 0.201 91 K C 0.516 177.168 176.600 0.086 0.000 1.052 91 K CA 0.400 56.727 56.287 0.068 0.000 0.973 91 K CB 0.379 32.909 32.500 0.050 0.000 0.766 91 K HN 0.301 nan 8.250 nan 0.000 0.466 92 R N 1.933 122.509 120.500 0.127 0.000 2.422 92 R HA 0.270 4.610 4.340 0.001 0.000 0.307 92 R C -2.619 173.831 176.300 0.250 0.000 1.004 92 R CA -2.289 53.918 56.100 0.179 0.000 0.882 92 R CB 1.447 31.856 30.300 0.181 0.000 1.164 92 R HN 0.034 nan 8.270 nan 0.000 0.489 93 P HA -0.126 nan 4.420 nan 0.000 0.260 93 P C -0.845 176.445 177.300 -0.017 0.000 1.172 93 P CA 0.305 63.462 63.100 0.095 0.000 0.760 93 P CB 0.465 32.189 31.700 0.040 0.000 0.773 94 H N 6.655 125.662 119.070 -0.105 0.000 2.803 94 H HA 0.072 4.629 4.556 0.001 0.000 0.330 94 H C -0.901 174.129 175.328 -0.498 0.000 1.057 94 H CA -1.057 54.744 56.048 -0.412 0.000 1.458 94 H CB 0.758 30.458 29.762 -0.104 0.000 1.470 94 H HN 0.301 nan 8.280 nan 0.000 0.560 95 P HA -0.177 nan 4.420 nan 0.000 0.221 95 P C 0.844 177.971 177.300 -0.288 0.000 1.145 95 P CA 1.163 63.939 63.100 -0.539 0.000 0.795 95 P CB 0.396 31.723 31.700 -0.621 0.000 0.775 96 L N -1.024 120.084 121.223 -0.191 0.000 2.592 96 L HA 0.124 4.465 4.340 0.001 0.000 0.227 96 L C 0.807 177.592 176.870 -0.141 0.000 1.127 96 L CA -0.237 54.458 54.840 -0.242 0.000 0.884 96 L CB -0.903 40.867 42.059 -0.482 0.000 1.065 96 L HN -0.059 nan 8.230 nan 0.000 0.457 97 N N 1.263 119.970 118.700 0.012 0.000 2.357 97 N HA 0.126 4.867 4.740 0.001 0.000 0.257 97 N C 0.504 176.041 175.510 0.044 0.000 1.250 97 N CA -0.250 52.884 53.050 0.139 0.000 0.862 97 N CB 0.794 39.342 38.487 0.102 0.000 1.066 97 N HN 0.187 nan 8.380 nan 0.000 0.468 98 A N 3.037 125.883 122.820 0.043 0.000 2.429 98 A HA 0.127 4.447 4.320 0.001 0.000 0.242 98 A C 0.475 178.053 177.584 -0.010 0.000 1.088 98 A CA -0.290 51.746 52.037 -0.001 0.000 0.784 98 A CB 0.166 19.155 19.000 -0.018 0.000 1.038 98 A HN 0.634 nan 8.150 nan 0.000 0.501 99 L N 1.213 122.425 121.223 -0.019 0.000 2.490 99 L HA 0.169 4.510 4.340 0.001 0.000 0.274 99 L C 1.458 178.314 176.870 -0.023 0.000 1.201 99 L CA -0.053 54.774 54.840 -0.023 0.000 0.869 99 L CB 0.086 42.128 42.059 -0.029 0.000 1.123 99 L HN 0.981 nan 8.230 nan 0.000 0.484 100 T N -0.302 114.239 114.554 -0.022 0.000 2.770 100 T HA 0.359 4.710 4.350 0.001 0.000 0.281 100 T C 1.189 175.871 174.700 -0.031 0.000 0.981 100 T CA -0.181 61.906 62.100 -0.022 0.000 0.955 100 T CB 1.321 70.179 68.868 -0.017 0.000 1.060 100 T HN 0.621 nan 8.240 nan 0.000 0.531 101 A N 0.546 123.349 122.820 -0.030 0.000 1.877 101 A HA -0.076 4.245 4.320 0.001 0.000 0.216 101 A C 2.095 179.653 177.584 -0.043 0.000 1.186 101 A CA 1.669 53.684 52.037 -0.037 0.000 0.620 101 A CB -1.094 17.888 19.000 -0.030 0.000 0.822 101 A HN 0.919 nan 8.150 nan 0.000 0.443 102 D N -0.253 120.127 120.400 -0.034 0.000 2.117 102 D HA -0.140 4.500 4.640 0.001 0.000 0.197 102 D C 1.894 178.169 176.300 -0.042 0.000 0.987 102 D CA 1.487 55.466 54.000 -0.035 0.000 0.829 102 D CB -0.361 40.424 40.800 -0.025 0.000 0.961 102 D HN 0.657 nan 8.370 nan 0.000 0.460 103 E N 0.414 120.591 120.200 -0.038 0.000 2.072 103 E HA -0.104 4.247 4.350 0.001 0.000 0.191 103 E C 2.417 178.983 176.600 -0.058 0.000 0.985 103 E CA 0.368 56.744 56.400 -0.040 0.000 0.801 103 E CB 0.010 29.691 29.700 -0.032 0.000 0.750 103 E HN 0.313 nan 8.360 nan 0.000 0.452 104 I N 1.377 121.906 120.570 -0.068 0.000 2.163 104 I HA -0.311 3.860 4.170 0.001 0.000 0.243 104 I C 2.275 178.311 176.117 -0.134 0.000 1.085 104 I CA 1.361 62.599 61.300 -0.102 0.000 1.347 104 I CB -0.239 37.700 38.000 -0.102 0.000 1.044 104 I HN 0.032 nan 8.210 nan 0.000 0.408 105 K N 0.171 120.505 120.400 -0.110 0.000 2.147 105 K HA -0.233 4.088 4.320 0.001 0.000 0.205 105 K C 2.137 178.677 176.600 -0.101 0.000 1.049 105 K CA 1.130 57.349 56.287 -0.113 0.000 0.936 105 K CB -0.188 32.263 32.500 -0.082 0.000 0.722 105 K HN 0.400 nan 8.250 nan 0.000 0.446 106 Q N 0.599 120.353 119.800 -0.076 0.000 2.079 106 Q HA -0.125 4.216 4.340 0.001 0.000 0.200 106 Q C 2.075 178.038 176.000 -0.062 0.000 0.974 106 Q CA 1.322 57.090 55.803 -0.058 0.000 0.840 106 Q CB -0.048 28.666 28.738 -0.040 0.000 0.898 106 Q HN 0.326 nan 8.270 nan 0.000 0.430 107 A N -0.047 122.730 122.820 -0.071 0.000 1.902 107 A HA -0.132 4.189 4.320 0.001 0.000 0.217 107 A C 2.177 179.711 177.584 -0.083 0.000 1.181 107 A CA 1.502 53.504 52.037 -0.058 0.000 0.623 107 A CB -0.696 18.267 19.000 -0.061 0.000 0.818 107 A HN 0.301 nan 8.150 nan 0.000 0.443 108 V N 0.196 120.006 119.914 -0.174 0.000 2.407 108 V HA -0.261 3.860 4.120 0.001 0.000 0.248 108 V C 2.362 178.356 176.094 -0.166 0.000 1.055 108 V CA 2.242 64.398 62.300 -0.239 0.000 1.049 108 V CB -0.855 30.748 31.823 -0.367 0.000 0.662 108 V HN 0.642 nan 8.190 nan 0.000 0.455 109 E N -0.018 120.106 120.200 -0.126 0.000 2.072 109 E HA -0.148 4.202 4.350 0.001 0.000 0.191 109 E C 2.203 178.754 176.600 -0.083 0.000 0.985 109 E CA 1.314 57.651 56.400 -0.105 0.000 0.801 109 E CB -0.170 29.487 29.700 -0.071 0.000 0.750 109 E HN 0.552 nan 8.360 nan 0.000 0.452 110 I N 1.228 121.771 120.570 -0.046 0.000 2.179 110 I HA -0.243 3.928 4.170 0.001 0.000 0.242 110 I C 2.655 178.790 176.117 0.030 0.000 1.088 110 I CA 1.096 62.395 61.300 -0.003 0.000 1.357 110 I CB -0.495 37.518 38.000 0.021 0.000 1.051 110 I HN 0.089 nan 8.210 nan 0.000 0.409 111 V N -1.393 118.552 119.914 0.051 0.000 2.515 111 V HA -0.171 3.950 4.120 0.001 0.000 0.250 111 V C 2.047 178.128 176.094 -0.022 0.000 1.058 111 V CA 1.418 63.827 62.300 0.182 0.000 1.064 111 V CB -0.895 31.113 31.823 0.309 0.000 0.675 111 V HN 0.350 nan 8.190 nan 0.000 0.461 112 K N 0.978 121.167 120.400 -0.351 0.000 2.486 112 K HA 0.295 4.616 4.320 0.001 0.000 0.194 112 K C 2.066 178.581 176.600 -0.142 0.000 1.033 112 K CA 0.929 56.888 56.287 -0.547 0.000 1.004 112 K CB -0.108 32.058 32.500 -0.558 0.000 0.798 112 K HN 0.605 nan 8.250 nan 0.000 0.495 113 A N 0.968 123.748 122.820 -0.067 0.000 2.132 113 A HA 0.016 4.336 4.320 0.001 0.000 0.213 113 A C 1.117 178.693 177.584 -0.014 0.000 1.154 113 A CA 0.088 52.110 52.037 -0.026 0.000 0.753 113 A CB 0.141 19.130 19.000 -0.019 0.000 0.826 113 A HN 0.155 nan 8.150 nan 0.000 0.469 114 S N -0.218 115.482 115.700 0.000 0.000 2.562 114 S HA 0.377 4.847 4.470 0.001 0.000 0.281 114 S C 1.283 175.823 174.600 -0.100 0.000 1.333 114 S CA 0.067 58.218 58.200 -0.082 0.000 1.052 114 S CB 0.993 64.096 63.200 -0.161 0.000 0.884 114 S HN 0.741 nan 8.310 nan 0.000 0.506 115 A N 3.643 126.367 122.820 -0.159 0.000 2.172 115 A HA 0.012 4.332 4.320 0.001 0.000 0.216 115 A C 1.467 178.955 177.584 -0.159 0.000 1.154 115 A CA 1.149 53.113 52.037 -0.122 0.000 0.701 115 A CB -0.250 18.679 19.000 -0.118 0.000 0.789 115 A HN 0.888 nan 8.150 nan 0.000 0.465 116 D N -1.715 118.483 120.400 -0.336 0.000 2.366 116 D HA 0.090 4.731 4.640 0.001 0.000 0.205 116 D C 0.239 176.495 176.300 -0.073 0.000 1.022 116 D CA -0.189 53.603 54.000 -0.346 0.000 0.868 116 D CB -0.045 40.286 40.800 -0.782 0.000 0.953 116 D HN 0.404 nan 8.370 nan 0.000 0.514 117 F N 2.599 122.497 119.950 -0.087 0.000 2.628 117 F HA -0.023 4.504 4.527 0.000 0.000 0.362 117 F C 0.694 176.564 175.800 0.117 0.000 1.148 117 F CA 0.240 58.361 58.000 0.201 0.000 1.352 117 F CB 0.510 39.627 39.000 0.195 0.000 1.081 117 F HN -0.405 nan 8.300 nan 0.000 0.605 118 K N 6.214 126.172 120.400 -0.738 0.000 2.267 118 K HA 0.315 4.636 4.320 0.001 0.000 0.246 118 K C -2.085 174.172 176.600 -0.572 0.000 0.954 118 K CA -1.758 54.254 56.287 -0.458 0.000 0.824 118 K CB 1.281 33.602 32.500 -0.297 0.000 1.167 118 K HN 0.204 nan 8.250 nan 0.000 0.431 119 P HA -0.132 nan 4.420 nan 0.000 0.217 119 P C 0.600 177.868 177.300 -0.054 0.000 1.150 119 P CA 1.257 64.335 63.100 -0.036 0.000 0.832 119 P CB 0.232 31.936 31.700 0.007 0.000 0.787 120 N N -1.894 116.743 118.700 -0.104 0.000 2.322 120 N HA -0.000 4.740 4.740 0.001 0.000 0.194 120 N C -0.363 175.068 175.510 -0.131 0.000 1.126 120 N CA 0.362 53.371 53.050 -0.068 0.000 0.845 120 N CB -0.940 37.518 38.487 -0.048 0.000 0.976 120 N HN -0.059 nan 8.380 nan 0.000 0.475 121 T N 2.134 116.512 114.554 -0.294 0.000 2.784 121 T HA 0.139 4.489 4.350 0.001 0.000 0.291 121 T C 0.510 175.006 174.700 -0.341 0.000 0.942 121 T CA 0.026 61.873 62.100 -0.422 0.000 1.161 121 T CB 0.614 68.948 68.868 -0.890 0.000 0.885 121 T HN 0.188 nan 8.240 nan 0.000 0.534 122 R N 1.735 122.070 120.500 -0.274 0.000 2.691 122 R HA 0.593 4.933 4.340 0.001 0.000 0.259 122 R C -0.868 175.205 176.300 -0.378 0.000 1.048 122 R CA -0.736 55.280 56.100 -0.140 0.000 1.086 122 R CB 0.955 31.336 30.300 0.135 0.000 1.166 122 R HN 0.447 nan 8.270 nan 0.000 0.526 123 F N 0.044 120.078 119.950 0.139 0.000 2.403 123 F HA 0.188 4.715 4.527 0.000 0.000 0.355 123 F C 1.461 177.330 175.800 0.114 0.000 1.119 123 F CA -0.678 57.386 58.000 0.108 0.000 1.007 123 F CB 1.801 40.853 39.000 0.087 0.000 1.194 123 F HN 0.628 nan 8.300 nan 0.000 0.443 124 T N -1.615 113.054 114.554 0.192 0.000 2.857 124 T HA 0.004 4.354 4.350 0.001 0.000 0.266 124 T C 0.398 175.186 174.700 0.148 0.000 1.048 124 T CA 0.803 62.991 62.100 0.147 0.000 1.139 124 T CB 0.196 69.124 68.868 0.100 0.000 0.874 124 T HN 0.576 nan 8.240 nan 0.000 0.455 125 E N -0.455 119.843 120.200 0.163 0.000 2.354 125 E HA 0.527 4.877 4.350 0.001 0.000 0.283 125 E C -1.973 174.706 176.600 0.133 0.000 0.938 125 E CA -0.725 55.750 56.400 0.125 0.000 0.777 125 E CB 1.938 31.685 29.700 0.078 0.000 1.222 125 E HN 0.358 nan 8.360 nan 0.000 0.423 126 I N 3.055 123.677 120.570 0.088 0.000 2.493 126 I HA 0.329 4.499 4.170 0.001 0.000 0.279 126 I C -0.865 175.264 176.117 0.021 0.000 1.045 126 I CA -0.324 61.005 61.300 0.049 0.000 1.106 126 I CB 1.668 39.657 38.000 -0.019 0.000 1.216 126 I HN 0.273 nan 8.210 nan 0.000 0.459 127 S N 4.823 120.538 115.700 0.025 0.000 2.595 127 S HA 0.527 4.997 4.470 0.001 0.000 0.281 127 S C -0.686 173.916 174.600 0.004 0.000 1.117 127 S CA -0.649 57.557 58.200 0.010 0.000 0.873 127 S CB 2.451 65.662 63.200 0.019 0.000 1.108 127 S HN 0.459 nan 8.310 nan 0.000 0.477 128 L N 2.435 123.652 121.223 -0.010 0.000 2.559 128 L HA 0.251 4.591 4.340 0.001 0.000 0.282 128 L C -0.554 176.309 176.870 -0.012 0.000 1.232 128 L CA -0.004 54.826 54.840 -0.017 0.000 0.885 128 L CB 0.014 42.055 42.059 -0.031 0.000 1.131 128 L HN 0.595 nan 8.230 nan 0.000 0.498 129 L N 8.748 129.966 121.223 -0.008 0.000 2.278 129 L HA 0.502 4.842 4.340 0.001 0.000 0.287 129 L C -2.130 174.734 176.870 -0.011 0.000 1.072 129 L CA -1.881 52.958 54.840 -0.003 0.000 0.819 129 L CB 0.300 42.362 42.059 0.006 0.000 1.176 129 L HN 0.570 nan 8.230 nan 0.000 0.435 130 P HA 0.144 nan 4.420 nan 0.000 0.262 130 P C -2.531 174.775 177.300 0.010 0.000 1.199 130 P CA -0.735 62.362 63.100 -0.005 0.000 0.763 130 P CB -0.064 31.644 31.700 0.013 0.000 0.790 131 P HA 0.038 nan 4.420 nan 0.000 0.274 131 P C -0.137 177.178 177.300 0.024 0.000 1.260 131 P CA -0.106 62.992 63.100 -0.003 0.000 0.793 131 P CB 0.294 31.972 31.700 -0.037 0.000 1.048 132 D N 0.448 120.861 120.400 0.022 0.000 2.424 132 D HA -0.040 4.600 4.640 0.001 0.000 0.244 132 D C 0.873 177.165 176.300 -0.014 0.000 1.134 132 D CA -0.222 53.796 54.000 0.030 0.000 0.881 132 D CB 0.951 41.769 40.800 0.030 0.000 1.191 132 D HN 0.338 nan 8.370 nan 0.000 0.445 133 K N 2.125 122.478 120.400 -0.079 0.000 2.089 133 K HA -0.306 4.015 4.320 0.001 0.000 0.210 133 K C 1.800 178.234 176.600 -0.277 0.000 1.048 133 K CA 1.877 57.920 56.287 -0.408 0.000 0.926 133 K CB -0.010 32.042 32.500 -0.747 0.000 0.714 133 K HN 0.633 nan 8.250 nan 0.000 0.448 134 E N -0.410 119.730 120.200 -0.100 0.000 2.077 134 E HA -0.202 4.149 4.350 0.001 0.000 0.193 134 E C 1.806 178.450 176.600 0.073 0.000 0.989 134 E CA 1.088 57.500 56.400 0.020 0.000 0.800 134 E CB -0.156 29.553 29.700 0.015 0.000 0.746 134 E HN 0.463 nan 8.360 nan 0.000 0.452 135 A N 0.432 123.277 122.820 0.042 0.000 1.877 135 A HA -0.155 4.166 4.320 0.001 0.000 0.216 135 A C 2.411 180.053 177.584 0.096 0.000 1.186 135 A CA 1.568 53.644 52.037 0.064 0.000 0.620 135 A CB -0.754 18.266 19.000 0.033 0.000 0.822 135 A HN 0.226 nan 8.150 nan 0.000 0.443 136 V N -2.136 117.806 119.914 0.047 0.000 2.287 136 V HA -0.318 3.802 4.120 0.001 0.000 0.248 136 V C 2.256 178.468 176.094 0.196 0.000 1.053 136 V CA 1.906 64.227 62.300 0.034 0.000 1.027 136 V CB -1.115 30.718 31.823 0.017 0.000 0.646 136 V HN 0.785 nan 8.190 nan 0.000 0.447 137 W N -0.106 121.256 121.300 0.103 0.000 2.358 137 W HA -0.179 4.481 4.660 0.001 0.000 0.303 137 W C 2.616 179.193 176.519 0.098 0.000 1.208 137 W CA 0.919 58.329 57.345 0.108 0.000 1.274 137 W CB -0.228 29.233 29.460 0.002 0.000 1.138 137 W HN 0.230 nan 8.180 nan 0.000 0.515 138 A N -0.202 122.813 122.820 0.324 0.000 1.908 138 A HA -0.268 4.052 4.320 0.001 0.000 0.218 138 A C 1.655 179.352 177.584 0.188 0.000 1.181 138 A CA 1.653 53.806 52.037 0.193 0.000 0.627 138 A CB -1.264 17.814 19.000 0.129 0.000 0.818 138 A HN 0.409 nan 8.150 nan 0.000 0.445 139 F N 1.005 120.995 119.950 0.066 0.000 2.102 139 F HA -0.041 4.487 4.527 0.001 0.000 0.298 139 F C 2.495 178.329 175.800 0.056 0.000 1.105 139 F CA 1.323 59.330 58.000 0.012 0.000 1.239 139 F CB -0.558 38.387 39.000 -0.091 0.000 0.991 139 F HN 0.234 nan 8.300 nan 0.000 0.474 140 A N 0.360 123.453 122.820 0.454 0.000 1.933 140 A HA -0.081 4.239 4.320 0.001 0.000 0.218 140 A C 2.230 179.971 177.584 0.262 0.000 1.175 140 A CA 1.969 54.263 52.037 0.428 0.000 0.628 140 A CB -0.928 18.419 19.000 0.578 0.000 0.814 140 A HN 0.523 nan 8.150 nan 0.000 0.444 141 L N -2.025 119.341 121.223 0.238 0.000 2.269 141 L HA 0.075 4.416 4.340 0.001 0.000 0.200 141 L C 2.232 179.124 176.870 0.036 0.000 1.069 141 L CA 0.859 55.775 54.840 0.126 0.000 0.804 141 L CB -0.270 41.842 42.059 0.088 0.000 0.987 141 L HN 0.325 nan 8.230 nan 0.000 0.468 142 E N -0.521 119.691 120.200 0.020 0.000 2.415 142 E HA -0.020 4.331 4.350 0.001 0.000 0.197 142 E C 0.181 176.731 176.600 -0.083 0.000 1.007 142 E CA -0.041 56.346 56.400 -0.022 0.000 0.890 142 E CB 0.333 30.032 29.700 -0.002 0.000 0.891 142 E HN 0.293 nan 8.360 nan 0.000 0.496 143 N N 1.519 120.118 118.700 -0.168 0.000 2.829 143 N HA -0.180 4.561 4.740 0.001 0.000 0.250 143 N C -0.528 174.828 175.510 -0.257 0.000 1.090 143 N CA 0.642 53.471 53.050 -0.368 0.000 0.781 143 N CB -0.895 37.433 38.487 -0.265 0.000 1.124 143 N HN 0.158 nan 8.380 nan 0.000 0.559 144 K N 1.344 121.683 120.400 -0.100 0.000 2.339 144 K HA 0.308 4.628 4.320 0.001 0.000 0.286 144 K C -2.398 174.259 176.600 0.095 0.000 1.050 144 K CA -1.139 55.147 56.287 -0.002 0.000 0.956 144 K CB 0.727 33.248 32.500 0.035 0.000 0.990 144 K HN -0.050 nan 8.250 nan 0.000 0.475 145 P HA -0.039 nan 4.420 nan 0.000 0.269 145 P C -1.105 176.281 177.300 0.142 0.000 1.209 145 P CA -0.413 62.797 63.100 0.183 0.000 0.776 145 P CB 0.705 32.467 31.700 0.104 0.000 0.876 146 V N 3.279 123.266 119.914 0.122 0.000 2.339 146 V HA 0.055 4.176 4.120 0.001 0.000 0.261 146 V C 0.810 176.920 176.094 0.027 0.000 1.058 146 V CA 0.018 62.346 62.300 0.046 0.000 0.897 146 V CB 0.216 32.022 31.823 -0.028 0.000 1.052 146 V HN 0.615 nan 8.190 nan 0.000 0.480 147 D N 2.682 123.100 120.400 0.030 0.000 2.323 147 D HA -0.045 4.595 4.640 0.001 0.000 0.239 147 D C 0.542 176.850 176.300 0.014 0.000 1.129 147 D CA 0.096 54.110 54.000 0.022 0.000 0.865 147 D CB 0.199 41.014 40.800 0.024 0.000 0.913 147 D HN 0.605 nan 8.370 nan 0.000 0.517 148 Q N 0.655 120.459 119.800 0.007 0.000 2.256 148 Q HA 0.381 4.722 4.340 0.001 0.000 0.257 148 Q C -2.537 173.460 176.000 -0.004 0.000 0.936 148 Q CA -2.272 53.533 55.803 0.003 0.000 0.903 148 Q CB 1.486 30.225 28.738 0.002 0.000 1.263 148 Q HN -0.061 nan 8.270 nan 0.000 0.440 149 P HA 0.037 nan 4.420 nan 0.000 0.268 149 P C -1.112 176.182 177.300 -0.009 0.000 1.204 149 P CA -0.090 63.008 63.100 -0.003 0.000 0.768 149 P CB 0.497 32.199 31.700 0.004 0.000 0.842 150 R N 3.444 123.935 120.500 -0.014 0.000 2.404 150 R HA 0.150 4.490 4.340 0.001 0.000 0.315 150 R C 0.331 176.625 176.300 -0.010 0.000 1.032 150 R CA 0.531 56.619 56.100 -0.020 0.000 0.992 150 R CB 0.026 30.313 30.300 -0.022 0.000 0.959 150 R HN 0.511 nan 8.270 nan 0.000 0.428 151 K N 0.891 121.286 120.400 -0.009 0.000 2.350 151 K HA 0.733 5.054 4.320 0.001 0.000 0.241 151 K C -0.934 175.666 176.600 0.000 0.000 0.994 151 K CA -0.859 55.429 56.287 0.001 0.000 0.839 151 K CB 2.371 34.876 32.500 0.008 0.000 1.244 151 K HN 0.575 nan 8.250 nan 0.000 0.443 152 A N 1.413 124.238 122.820 0.009 0.000 2.455 152 A HA 0.360 4.680 4.320 0.001 0.000 0.300 152 A C -1.513 176.087 177.584 0.025 0.000 1.040 152 A CA -0.830 51.213 52.037 0.010 0.000 0.697 152 A CB 1.045 20.046 19.000 0.002 0.000 1.265 152 A HN 0.636 nan 8.150 nan 0.000 0.407 153 D N 1.396 121.813 120.400 0.029 0.000 2.264 153 D HA 0.424 5.065 4.640 0.001 0.000 0.250 153 D C -0.684 175.651 176.300 0.058 0.000 1.113 153 D CA 0.309 54.334 54.000 0.043 0.000 0.871 153 D CB 1.838 42.666 40.800 0.045 0.000 1.167 153 D HN 0.159 nan 8.370 nan 0.000 0.447 154 V N 4.670 124.626 119.914 0.070 0.000 2.325 154 V HA 0.292 4.413 4.120 0.001 0.000 0.280 154 V C 0.318 176.469 176.094 0.094 0.000 1.016 154 V CA -0.662 61.710 62.300 0.120 0.000 0.818 154 V CB 1.068 32.984 31.823 0.154 0.000 1.019 154 V HN 0.372 nan 8.190 nan 0.000 0.434 155 I N 5.874 126.515 120.570 0.119 0.000 2.297 155 I HA 0.428 4.598 4.170 0.001 0.000 0.291 155 I C 0.053 176.197 176.117 0.046 0.000 1.033 155 I CA 0.053 61.396 61.300 0.071 0.000 1.253 155 I CB 1.099 39.172 38.000 0.121 0.000 1.396 155 I HN 0.451 nan 8.210 nan 0.000 0.476 156 M N 6.457 126.001 119.600 -0.094 0.000 2.537 156 M HA 0.446 4.926 4.480 0.001 0.000 0.324 156 M C -0.906 175.280 176.300 -0.191 0.000 1.187 156 M CA -0.865 54.303 55.300 -0.220 0.000 0.993 156 M CB 2.361 34.758 32.600 -0.340 0.000 1.666 156 M HN 0.345 nan 8.290 nan 0.000 0.461 157 L N 2.537 123.640 121.223 -0.200 0.000 2.353 157 L HA 0.379 4.719 4.340 0.001 0.000 0.270 157 L C -1.121 175.654 176.870 -0.158 0.000 1.003 157 L CA -0.186 54.570 54.840 -0.140 0.000 0.862 157 L CB 0.703 42.713 42.059 -0.083 0.000 1.221 157 L HN 0.546 nan 8.230 nan 0.000 0.430 158 D N 4.329 124.653 120.400 -0.127 0.000 2.468 158 D HA 0.535 5.175 4.640 0.001 0.000 0.218 158 D C 1.060 177.328 176.300 -0.053 0.000 1.155 158 D CA 0.990 54.930 54.000 -0.100 0.000 0.924 158 D CB 0.461 41.233 40.800 -0.047 0.000 1.029 158 D HN 0.844 nan 8.370 nan 0.000 0.515 159 G N 4.852 113.601 108.800 -0.085 0.000 3.377 159 G HA2 -0.362 3.598 3.960 0.001 0.000 0.304 159 G HA3 -0.362 3.598 3.960 0.001 0.000 0.304 159 G C 0.752 175.561 174.900 -0.152 0.000 1.366 159 G CA 0.689 45.732 45.100 -0.095 0.000 1.020 159 G HN 0.666 nan 8.290 nan 0.000 0.621 160 K N 0.593 120.813 120.400 -0.299 0.000 2.483 160 K HA 0.352 4.673 4.320 0.001 0.000 0.206 160 K C 0.019 176.363 176.600 -0.426 0.000 1.086 160 K CA -0.264 55.832 56.287 -0.318 0.000 1.052 160 K CB 0.379 32.695 32.500 -0.306 0.000 0.904 160 K HN 0.583 nan 8.250 nan 0.000 0.557 161 H N 1.510 120.516 119.070 -0.107 0.000 2.489 161 H HA 0.269 4.825 4.556 0.000 0.000 0.322 161 H C -0.179 175.045 175.328 -0.174 0.000 1.091 161 H CA -0.777 55.185 56.048 -0.144 0.000 1.291 161 H CB 1.323 31.019 29.762 -0.111 0.000 1.436 161 H HN 0.042 nan 8.280 nan 0.000 0.480 162 I N 4.756 125.255 120.570 -0.120 0.000 2.428 162 I HA 0.188 4.358 4.170 0.001 0.000 0.289 162 I C 0.612 176.609 176.117 -0.199 0.000 1.019 162 I CA -0.164 61.012 61.300 -0.208 0.000 1.351 162 I CB 0.589 38.339 38.000 -0.417 0.000 1.412 162 I HN 0.437 nan 8.210 nan 0.000 0.513 163 I N 5.680 126.113 120.570 -0.229 0.000 2.499 163 I HA 0.276 4.447 4.170 0.001 0.000 0.288 163 I C -0.167 175.761 176.117 -0.314 0.000 1.048 163 I CA -0.612 60.488 61.300 -0.334 0.000 1.062 163 I CB 2.111 39.778 38.000 -0.555 0.000 1.238 163 I HN 0.463 nan 8.210 nan 0.000 0.426 164 E N 5.234 125.289 120.200 -0.242 0.000 2.109 164 E HA 0.653 5.003 4.350 0.001 0.000 0.278 164 E C -0.719 175.779 176.600 -0.171 0.000 0.954 164 E CA -0.496 55.827 56.400 -0.130 0.000 0.779 164 E CB 1.928 31.621 29.700 -0.012 0.000 1.093 164 E HN 0.664 nan 8.360 nan 0.000 0.401 165 A N 2.921 125.657 122.820 -0.140 0.000 2.374 165 A HA 0.645 4.965 4.320 0.001 0.000 0.317 165 A C -0.846 176.756 177.584 0.030 0.000 1.094 165 A CA -0.625 51.378 52.037 -0.058 0.000 0.765 165 A CB 1.434 20.383 19.000 -0.084 0.000 1.268 165 A HN 0.397 nan 8.150 nan 0.000 0.438 166 V N 2.392 122.346 119.914 0.066 0.000 2.487 166 V HA 0.572 4.693 4.120 0.001 0.000 0.298 166 V C -0.128 176.009 176.094 0.072 0.000 1.028 166 V CA -0.503 61.834 62.300 0.060 0.000 0.860 166 V CB 1.460 33.314 31.823 0.052 0.000 0.991 166 V HN 1.059 nan 8.190 nan 0.000 0.427 167 V N 0.711 120.659 119.914 0.058 0.000 2.667 167 V HA 0.671 4.791 4.120 0.001 0.000 0.308 167 V C -0.446 175.668 176.094 0.033 0.000 1.048 167 V CA -0.609 61.723 62.300 0.053 0.000 0.928 167 V CB 2.049 33.901 31.823 0.047 0.000 1.004 167 V HN 0.802 nan 8.190 nan 0.000 0.444 168 D N 3.269 123.687 120.400 0.030 0.000 2.428 168 D HA 0.347 4.987 4.640 0.001 0.000 0.221 168 D C 0.892 177.199 176.300 0.011 0.000 1.123 168 D CA -0.173 53.839 54.000 0.019 0.000 0.869 168 D CB 1.467 42.279 40.800 0.021 0.000 1.032 168 D HN 0.665 nan 8.370 nan 0.000 0.506 169 L N 2.787 124.012 121.223 0.004 0.000 2.141 169 L HA -0.125 4.216 4.340 0.001 0.000 0.209 169 L C 2.490 179.358 176.870 -0.002 0.000 1.094 169 L CA 0.694 55.532 54.840 -0.002 0.000 0.763 169 L CB -0.183 41.870 42.059 -0.009 0.000 0.908 169 L HN 0.484 nan 8.230 nan 0.000 0.437 170 Q N 0.419 120.219 119.800 -0.001 0.000 2.079 170 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 170 Q C 1.161 177.163 176.000 0.003 0.000 0.974 170 Q CA 1.347 57.150 55.803 0.000 0.000 0.840 170 Q CB 0.245 28.984 28.738 0.001 0.000 0.898 170 Q HN 0.505 nan 8.270 nan 0.000 0.430 171 N N 0.669 119.372 118.700 0.005 0.000 2.214 171 N HA -0.008 4.733 4.740 0.001 0.000 0.214 171 N C -0.558 174.956 175.510 0.007 0.000 1.132 171 N CA 0.140 53.194 53.050 0.007 0.000 0.856 171 N CB 0.322 38.815 38.487 0.009 0.000 1.020 171 N HN 0.250 nan 8.380 nan 0.000 0.509 172 N N 1.836 120.539 118.700 0.005 0.000 2.699 172 N HA -0.240 4.500 4.740 0.001 0.000 0.256 172 N C -1.065 174.451 175.510 0.010 0.000 0.993 172 N CA 0.896 53.948 53.050 0.004 0.000 0.759 172 N CB -0.930 37.556 38.487 -0.001 0.000 0.906 172 N HN 0.503 nan 8.380 nan 0.000 0.541 173 K N -0.923 119.487 120.400 0.018 0.000 2.469 173 K HA 0.548 4.868 4.320 0.001 0.000 0.254 173 K C -0.886 175.739 176.600 0.041 0.000 0.939 173 K CA -1.280 55.022 56.287 0.026 0.000 0.812 173 K CB 1.360 33.873 32.500 0.022 0.000 1.301 173 K HN 0.018 nan 8.250 nan 0.000 0.433 174 L N 3.575 124.832 121.223 0.056 0.000 2.410 174 L HA 0.176 4.516 4.340 0.001 0.000 0.273 174 L C -0.006 176.913 176.870 0.082 0.000 1.144 174 L CA 0.075 54.969 54.840 0.089 0.000 0.863 174 L CB 0.314 42.446 42.059 0.121 0.000 1.140 174 L HN 0.891 nan 8.230 nan 0.000 0.463 175 L N 3.427 124.702 121.223 0.087 0.000 2.556 175 L HA 0.306 4.646 4.340 0.001 0.000 0.226 175 L C 0.217 177.143 176.870 0.093 0.000 1.089 175 L CA 0.377 55.262 54.840 0.074 0.000 0.864 175 L CB -0.115 41.978 42.059 0.056 0.000 1.067 175 L HN 0.835 nan 8.230 nan 0.000 0.477 176 S N -2.077 113.702 115.700 0.131 0.000 2.586 176 S HA 0.348 4.819 4.470 0.001 0.000 0.277 176 S C -2.055 172.693 174.600 0.246 0.000 1.131 176 S CA -0.768 57.526 58.200 0.157 0.000 0.848 176 S CB 1.673 64.934 63.200 0.103 0.000 1.091 176 S HN 0.204 nan 8.310 nan 0.000 0.453 177 W N 2.869 124.192 121.300 0.038 0.000 2.534 177 W HA 0.392 5.052 4.660 0.001 0.000 0.292 177 W C -1.850 174.685 176.519 0.028 0.000 1.027 177 W CA -0.306 57.065 57.345 0.042 0.000 1.304 177 W CB 1.104 30.591 29.460 0.044 0.000 1.187 177 W HN 0.912 nan 8.180 nan 0.000 0.356 178 Q N 5.590 125.394 119.800 0.007 0.000 2.357 178 Q HA 0.334 4.674 4.340 0.001 0.000 0.266 178 Q C -2.318 173.643 176.000 -0.065 0.000 1.021 178 Q CA -1.830 53.989 55.803 0.026 0.000 0.784 178 Q CB 2.508 31.264 28.738 0.029 0.000 1.243 178 Q HN 0.054 nan 8.270 nan 0.000 0.465 179 P HA 0.075 nan 4.420 nan 0.000 0.271 179 P C -0.772 176.485 177.300 -0.072 0.000 1.216 179 P CA -0.077 62.987 63.100 -0.060 0.000 0.776 179 P CB 0.658 32.356 31.700 -0.003 0.000 0.881 180 I N 3.174 123.670 120.570 -0.124 0.000 2.388 180 I HA 0.152 4.323 4.170 0.001 0.000 0.281 180 I C 0.936 176.963 176.117 -0.151 0.000 1.046 180 I CA -1.227 59.989 61.300 -0.140 0.000 1.187 180 I CB 0.273 38.127 38.000 -0.243 0.000 1.351 180 I HN 0.356 nan 8.210 nan 0.000 0.472 181 K N 5.477 125.820 120.400 -0.095 0.000 2.414 181 K HA 0.045 4.366 4.320 0.001 0.000 0.272 181 K C 0.016 176.553 176.600 -0.105 0.000 0.993 181 K CA 0.057 56.291 56.287 -0.087 0.000 0.964 181 K CB 1.026 33.492 32.500 -0.057 0.000 0.925 181 K HN 0.542 nan 8.250 nan 0.000 0.487 182 D N -1.326 118.999 120.400 -0.124 0.000 2.978 182 D HA -0.195 4.445 4.640 0.001 0.000 0.205 182 D C -0.248 175.918 176.300 -0.224 0.000 1.093 182 D CA 1.782 55.690 54.000 -0.153 0.000 1.006 182 D CB -1.181 39.574 40.800 -0.076 0.000 1.116 182 D HN 0.804 nan 8.370 nan 0.000 0.419 183 A N 0.676 123.332 122.820 -0.274 0.000 2.301 183 A HA 0.483 4.803 4.320 0.001 0.000 0.298 183 A C 0.108 177.456 177.584 -0.393 0.000 1.185 183 A CA -0.262 51.575 52.037 -0.335 0.000 0.830 183 A CB 0.831 19.474 19.000 -0.596 0.000 1.112 183 A HN 0.156 nan 8.150 nan 0.000 0.508 184 H N 0.890 119.871 119.070 -0.149 0.000 2.483 184 H HA 0.493 5.049 4.556 0.001 0.000 0.338 184 H C 0.782 176.054 175.328 -0.093 0.000 1.152 184 H CA 0.516 56.492 56.048 -0.121 0.000 1.264 184 H CB 1.841 31.555 29.762 -0.080 0.000 1.510 184 H HN 0.846 nan 8.280 nan 0.000 0.530 185 G N 1.411 110.241 108.800 0.050 0.000 2.451 185 G HA2 0.399 4.359 3.960 0.001 0.000 0.303 185 G HA3 0.399 4.359 3.960 0.001 0.000 0.303 185 G C 0.582 175.499 174.900 0.028 0.000 1.166 185 G CA -0.740 44.382 45.100 0.037 0.000 0.884 185 G HN 0.649 nan 8.290 nan 0.000 0.514 186 M N 0.244 119.857 119.600 0.022 0.000 2.131 186 M HA 0.387 4.867 4.480 0.001 0.000 0.283 186 M C -0.244 175.997 176.300 -0.098 0.000 1.225 186 M CA -0.246 55.021 55.300 -0.055 0.000 1.153 186 M CB 0.189 32.763 32.600 -0.045 0.000 1.380 186 M HN 0.109 nan 8.290 nan 0.000 0.458 187 V N 2.158 121.947 119.914 -0.209 0.000 2.583 187 V HA 0.319 4.439 4.120 0.001 0.000 0.287 187 V C 0.334 176.417 176.094 -0.018 0.000 1.051 187 V CA -0.383 61.812 62.300 -0.176 0.000 1.010 187 V CB 0.687 32.267 31.823 -0.405 0.000 0.988 187 V HN 0.643 nan 8.190 nan 0.000 0.478 188 L N 3.708 124.937 121.223 0.010 0.000 2.322 188 L HA 0.387 4.728 4.340 0.001 0.000 0.269 188 L C 1.068 177.872 176.870 -0.110 0.000 1.012 188 L CA -0.790 54.008 54.840 -0.069 0.000 0.815 188 L CB 1.435 43.403 42.059 -0.151 0.000 1.295 188 L HN 0.490 nan 8.230 nan 0.000 0.438 189 L N 1.625 122.587 121.223 -0.436 0.000 2.051 189 L HA -0.255 4.085 4.340 0.001 0.000 0.214 189 L C 2.201 178.848 176.870 -0.371 0.000 1.076 189 L CA 2.193 56.694 54.840 -0.565 0.000 0.758 189 L CB -0.648 41.101 42.059 -0.518 0.000 0.890 189 L HN 0.889 nan 8.230 nan 0.000 0.433 190 D N -2.092 117.960 120.400 -0.580 0.000 2.264 190 D HA -0.217 4.423 4.640 0.001 0.000 0.208 190 D C 1.397 177.684 176.300 -0.021 0.000 0.966 190 D CA 1.145 55.021 54.000 -0.205 0.000 0.864 190 D CB -0.585 40.142 40.800 -0.121 0.000 0.933 190 D HN 0.399 nan 8.370 nan 0.000 0.499 191 D N 0.116 120.531 120.400 0.026 0.000 2.178 191 D HA -0.114 4.527 4.640 0.001 0.000 0.201 191 D C 1.832 178.204 176.300 0.120 0.000 0.980 191 D CA 0.536 54.572 54.000 0.059 0.000 0.842 191 D CB -0.445 40.372 40.800 0.029 0.000 0.948 191 D HN 0.234 nan 8.370 nan 0.000 0.472 192 F N 1.691 121.600 119.950 -0.068 0.000 2.069 192 F HA -0.136 4.392 4.527 0.000 0.000 0.298 192 F C 2.590 178.360 175.800 -0.050 0.000 1.113 192 F CA 0.954 58.933 58.000 -0.035 0.000 1.214 192 F CB -1.012 37.981 39.000 -0.011 0.000 0.978 192 F HN -0.069 nan 8.300 nan 0.000 0.474 193 A N -1.320 121.598 122.820 0.163 0.000 1.969 193 A HA -0.143 4.177 4.320 0.001 0.000 0.218 193 A C 2.378 179.971 177.584 0.016 0.000 1.169 193 A CA 1.655 53.731 52.037 0.065 0.000 0.635 193 A CB -1.115 17.915 19.000 0.051 0.000 0.810 193 A HN 0.332 nan 8.150 nan 0.000 0.445 194 S N -0.499 115.209 115.700 0.014 0.000 2.368 194 S HA -0.134 4.336 4.470 0.001 0.000 0.225 194 S C 1.923 176.490 174.600 -0.055 0.000 1.030 194 S CA 1.692 59.881 58.200 -0.019 0.000 0.999 194 S CB -0.467 62.721 63.200 -0.019 0.000 0.844 194 S HN 0.297 nan 8.310 nan 0.000 0.459 195 V N 1.625 121.498 119.914 -0.068 0.000 2.261 195 V HA -0.160 3.961 4.120 0.001 0.000 0.246 195 V C 2.733 178.738 176.094 -0.147 0.000 1.047 195 V CA 2.295 64.524 62.300 -0.119 0.000 1.015 195 V CB -0.952 30.787 31.823 -0.139 0.000 0.642 195 V HN 0.503 nan 8.190 nan 0.000 0.446 196 Q N 0.840 120.570 119.800 -0.117 0.000 2.096 196 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 196 Q C 1.938 177.863 176.000 -0.125 0.000 0.982 196 Q CA 2.483 58.207 55.803 -0.132 0.000 0.850 196 Q CB -0.650 28.036 28.738 -0.086 0.000 0.901 196 Q HN 0.715 nan 8.270 nan 0.000 0.422 197 N N -0.583 118.065 118.700 -0.086 0.000 2.084 197 N HA -0.098 4.642 4.740 0.001 0.000 0.190 197 N C 1.556 177.011 175.510 -0.091 0.000 1.030 197 N CA 1.740 54.747 53.050 -0.071 0.000 0.849 197 N CB -0.207 38.255 38.487 -0.042 0.000 1.012 197 N HN 0.384 nan 8.380 nan 0.000 0.423 198 I N -0.269 120.237 120.570 -0.106 0.000 2.226 198 I HA -0.234 3.937 4.170 0.001 0.000 0.245 198 I C 1.667 177.682 176.117 -0.169 0.000 1.100 198 I CA 0.708 61.938 61.300 -0.116 0.000 1.374 198 I CB -0.232 37.699 38.000 -0.114 0.000 1.057 198 I HN 0.176 nan 8.210 nan 0.000 0.413 199 I N 1.019 121.426 120.570 -0.271 0.000 2.286 199 I HA -0.284 3.887 4.170 0.001 0.000 0.248 199 I C 2.044 177.997 176.117 -0.273 0.000 1.115 199 I CA 1.698 62.719 61.300 -0.465 0.000 1.392 199 I CB -0.796 36.752 38.000 -0.754 0.000 1.065 199 I HN 0.234 nan 8.210 nan 0.000 0.418 200 N N 0.025 118.623 118.700 -0.171 0.000 2.309 200 N HA -0.126 4.614 4.740 0.001 0.000 0.182 200 N C 1.115 176.598 175.510 -0.046 0.000 1.018 200 N CA 0.932 53.932 53.050 -0.084 0.000 0.876 200 N CB -0.239 38.208 38.487 -0.068 0.000 0.972 200 N HN 0.514 nan 8.380 nan 0.000 0.434 201 N N -0.209 118.458 118.700 -0.055 0.000 2.280 201 N HA 0.017 4.758 4.740 0.001 0.000 0.192 201 N C -0.340 175.161 175.510 -0.015 0.000 1.109 201 N CA -0.230 52.803 53.050 -0.029 0.000 0.855 201 N CB 0.507 38.975 38.487 -0.032 0.000 0.974 201 N HN -0.072 nan 8.380 nan 0.000 0.482 202 S N 1.598 117.289 115.700 -0.014 0.000 2.439 202 S HA 0.016 4.486 4.470 0.001 0.000 0.282 202 S C 1.355 175.997 174.600 0.070 0.000 1.170 202 S CA -0.715 57.502 58.200 0.028 0.000 1.054 202 S CB 0.564 63.791 63.200 0.044 0.000 0.956 202 S HN 0.225 nan 8.310 nan 0.000 0.490 203 E N 5.366 125.593 120.200 0.046 0.000 2.072 203 E HA -0.211 4.140 4.350 0.001 0.000 0.191 203 E C 1.157 177.788 176.600 0.051 0.000 0.985 203 E CA 1.431 57.856 56.400 0.041 0.000 0.801 203 E CB -0.574 29.139 29.700 0.022 0.000 0.750 203 E HN 0.875 nan 8.360 nan 0.000 0.452 204 E N 0.076 120.309 120.200 0.056 0.000 2.031 204 E HA -0.124 4.227 4.350 0.001 0.000 0.193 204 E C 1.981 178.615 176.600 0.057 0.000 0.994 204 E CA 1.179 57.605 56.400 0.043 0.000 0.800 204 E CB -0.419 29.304 29.700 0.039 0.000 0.752 204 E HN 0.229 nan 8.360 nan 0.000 0.447 205 F N 1.624 121.556 119.950 -0.031 0.000 2.126 205 F HA -0.229 4.299 4.527 0.001 0.000 0.299 205 F C 2.248 178.029 175.800 -0.032 0.000 1.096 205 F CA 1.470 59.448 58.000 -0.036 0.000 1.255 205 F CB -0.287 38.688 39.000 -0.043 0.000 0.997 205 F HN -0.044 nan 8.300 nan 0.000 0.479 206 A N 0.081 123.023 122.820 0.204 0.000 1.940 206 A HA -0.089 4.231 4.320 0.001 0.000 0.219 206 A C 2.378 179.958 177.584 -0.005 0.000 1.176 206 A CA 1.794 53.897 52.037 0.109 0.000 0.631 206 A CB -1.476 17.577 19.000 0.089 0.000 0.814 206 A HN 0.490 nan 8.150 nan 0.000 0.446 207 A N -0.279 122.529 122.820 -0.021 0.000 1.897 207 A HA 0.254 4.574 4.320 0.001 0.000 0.215 207 A C 2.497 180.021 177.584 -0.099 0.000 1.181 207 A CA 1.787 53.796 52.037 -0.046 0.000 0.620 207 A CB -0.968 18.014 19.000 -0.030 0.000 0.821 207 A HN 1.013 nan 8.150 nan 0.000 0.443 208 A N -0.449 122.270 122.820 -0.168 0.000 1.902 208 A HA -0.028 4.292 4.320 0.001 0.000 0.217 208 A C 2.211 179.631 177.584 -0.273 0.000 1.181 208 A CA 1.882 53.772 52.037 -0.244 0.000 0.623 208 A CB -0.907 17.871 19.000 -0.371 0.000 0.818 208 A HN 0.388 nan 8.150 nan 0.000 0.443 209 V N 0.124 119.837 119.914 -0.335 0.000 2.427 209 V HA -0.236 3.885 4.120 0.001 0.000 0.248 209 V C 2.508 178.534 176.094 -0.113 0.000 1.051 209 V CA 2.277 64.432 62.300 -0.240 0.000 1.048 209 V CB -0.629 31.088 31.823 -0.176 0.000 0.666 209 V HN 0.690 nan 8.190 nan 0.000 0.456 210 K N 1.228 121.579 120.400 -0.083 0.000 2.057 210 K HA -0.232 4.088 4.320 0.001 0.000 0.207 210 K C 2.127 178.700 176.600 -0.046 0.000 1.049 210 K CA 1.816 58.075 56.287 -0.046 0.000 0.931 210 K CB -0.147 32.334 32.500 -0.032 0.000 0.714 210 K HN 0.629 nan 8.250 nan 0.000 0.440 211 K N -0.059 120.305 120.400 -0.060 0.000 2.442 211 K HA -0.096 4.224 4.320 0.001 0.000 0.198 211 K C 0.966 177.538 176.600 -0.047 0.000 1.042 211 K CA 0.885 57.143 56.287 -0.049 0.000 0.958 211 K CB 0.040 32.508 32.500 -0.054 0.000 0.766 211 K HN 0.060 nan 8.250 nan 0.000 0.474 212 R N 0.421 120.886 120.500 -0.059 0.000 2.586 212 R HA 0.123 4.463 4.340 0.001 0.000 0.306 212 R C 0.353 176.638 176.300 -0.025 0.000 1.079 212 R CA 0.295 56.367 56.100 -0.046 0.000 1.083 212 R CB 0.593 30.851 30.300 -0.069 0.000 1.306 212 R HN 0.536 nan 8.270 nan 0.000 0.567 213 G N 1.030 109.819 108.800 -0.019 0.000 2.205 213 G HA2 -0.282 3.678 3.960 0.001 0.000 0.261 213 G HA3 -0.282 3.678 3.960 0.001 0.000 0.261 213 G C 0.090 174.988 174.900 -0.003 0.000 0.980 213 G CA -0.165 44.931 45.100 -0.006 0.000 0.632 213 G HN 0.205 nan 8.290 nan 0.000 0.533 214 I N 2.327 122.891 120.570 -0.009 0.000 2.352 214 I HA 0.393 4.563 4.170 0.001 0.000 0.290 214 I C 1.820 177.936 176.117 -0.002 0.000 1.036 214 I CA 0.666 61.965 61.300 -0.001 0.000 1.336 214 I CB 1.429 39.430 38.000 0.002 0.000 1.407 214 I HN 0.303 nan 8.210 nan 0.000 0.497 215 T N 0.855 115.410 114.554 0.002 0.000 2.755 215 T HA -0.011 4.340 4.350 0.001 0.000 0.251 215 T C 0.799 175.502 174.700 0.005 0.000 1.044 215 T CA 0.329 62.430 62.100 0.002 0.000 1.154 215 T CB -0.121 68.748 68.868 0.001 0.000 0.866 215 T HN 0.513 nan 8.240 nan 0.000 0.416 216 D N 1.678 122.082 120.400 0.007 0.000 2.393 216 D HA 0.457 5.098 4.640 0.001 0.000 0.232 216 D C 1.124 177.435 176.300 0.017 0.000 1.192 216 D CA -0.011 53.995 54.000 0.009 0.000 0.882 216 D CB 1.302 42.104 40.800 0.005 0.000 1.038 216 D HN 0.402 nan 8.370 nan 0.000 0.499 217 A N 4.474 127.310 122.820 0.025 0.000 2.121 217 A HA -0.151 4.170 4.320 0.001 0.000 0.218 217 A C 1.886 179.490 177.584 0.033 0.000 1.154 217 A CA 0.937 53.002 52.037 0.047 0.000 0.679 217 A CB -0.001 19.040 19.000 0.068 0.000 0.795 217 A HN 0.420 nan 8.150 nan 0.000 0.458 218 K N 0.471 120.880 120.400 0.015 0.000 2.360 218 K HA -0.042 4.279 4.320 0.001 0.000 0.201 218 K C 1.322 177.917 176.600 -0.008 0.000 1.046 218 K CA 1.121 57.408 56.287 0.000 0.000 0.945 218 K CB -0.078 32.421 32.500 -0.002 0.000 0.750 218 K HN 0.505 nan 8.250 nan 0.000 0.464 219 K N 0.358 120.757 120.400 -0.000 0.000 2.458 219 K HA 0.112 4.432 4.320 0.001 0.000 0.194 219 K C -0.405 176.191 176.600 -0.007 0.000 1.024 219 K CA -0.029 56.254 56.287 -0.006 0.000 1.108 219 K CB 0.528 33.028 32.500 -0.001 0.000 0.846 219 K HN -0.124 nan 8.250 nan 0.000 0.518 220 V N 2.512 122.427 119.914 0.002 0.000 2.488 220 V HA 0.112 4.233 4.120 0.001 0.000 0.277 220 V C -0.047 176.007 176.094 -0.067 0.000 1.046 220 V CA -0.443 61.863 62.300 0.009 0.000 0.986 220 V CB 0.644 32.517 31.823 0.084 0.000 0.989 220 V HN 0.056 nan 8.190 nan 0.000 0.475 221 I N 5.074 125.572 120.570 -0.120 0.000 2.354 221 I HA 0.421 4.592 4.170 0.001 0.000 0.292 221 I C 0.724 176.720 176.117 -0.202 0.000 0.989 221 I CA 0.205 61.335 61.300 -0.283 0.000 1.188 221 I CB 1.891 39.466 38.000 -0.707 0.000 1.342 221 I HN 0.796 nan 8.210 nan 0.000 0.457 222 T N 1.373 115.809 114.554 -0.196 0.000 2.912 222 T HA 0.871 5.221 4.350 0.001 0.000 0.280 222 T C -0.037 174.591 174.700 -0.120 0.000 0.989 222 T CA -0.605 61.410 62.100 -0.141 0.000 0.995 222 T CB 1.582 70.341 68.868 -0.181 0.000 1.077 222 T HN 0.655 nan 8.240 nan 0.000 0.531 223 T N -1.187 113.327 114.554 -0.066 0.000 2.952 223 T HA 0.595 4.945 4.350 0.001 0.000 0.305 223 T C -3.365 171.275 174.700 -0.100 0.000 1.064 223 T CA -1.766 60.306 62.100 -0.048 0.000 1.008 223 T CB 1.637 70.570 68.868 0.107 0.000 1.078 223 T HN 0.443 nan 8.240 nan 0.000 0.459 224 P HA 0.480 nan 4.420 nan 0.000 0.274 224 P C -0.796 176.477 177.300 -0.045 0.000 1.504 224 P CA -0.486 62.477 63.100 -0.227 0.000 1.011 224 P CB 0.208 31.593 31.700 -0.525 0.000 1.366 225 L N 2.586 123.851 121.223 0.070 0.000 2.322 225 L HA 0.502 4.843 4.340 0.001 0.000 0.279 225 L C 1.005 178.025 176.870 0.249 0.000 1.036 225 L CA -0.784 54.222 54.840 0.277 0.000 0.807 225 L CB 1.472 43.789 42.059 0.430 0.000 1.226 225 L HN 0.239 nan 8.230 nan 0.000 0.433 226 T N -1.400 113.361 114.554 0.345 0.000 2.918 226 T HA 0.173 4.524 4.350 0.001 0.000 0.302 226 T C 1.059 175.902 174.700 0.239 0.000 1.045 226 T CA -0.574 61.643 62.100 0.195 0.000 1.114 226 T CB 1.495 70.479 68.868 0.193 0.000 0.965 226 T HN 0.492 nan 8.240 nan 0.000 0.540 227 V N -0.462 119.513 119.914 0.103 0.000 3.354 227 V HA 0.522 4.642 4.120 0.001 0.000 0.258 227 V C 1.374 177.591 176.094 0.206 0.000 1.159 227 V CA 0.705 63.070 62.300 0.108 0.000 1.125 227 V CB -1.677 30.114 31.823 -0.055 0.000 0.774 227 V HN 1.657 nan 8.190 nan 0.000 0.464 228 G N 0.215 109.082 108.800 0.113 0.000 2.593 228 G HA2 -0.247 3.713 3.960 0.001 0.000 0.237 228 G HA3 -0.247 3.713 3.960 0.001 0.000 0.237 228 G C -0.771 174.141 174.900 0.021 0.000 1.312 228 G CA 0.316 45.438 45.100 0.036 0.000 0.896 228 G HN 1.379 nan 8.290 nan 0.000 0.574 229 Y N -0.710 119.367 120.300 -0.373 0.000 2.421 229 Y HA 0.696 5.246 4.550 0.001 0.000 0.339 229 Y C -0.617 174.789 175.900 -0.823 0.000 0.996 229 Y CA -1.813 56.042 58.100 -0.408 0.000 1.046 229 Y CB 1.487 39.765 38.460 -0.304 0.000 1.226 229 Y HN 0.564 nan 8.280 nan 0.000 0.445 230 F N 3.948 123.264 119.950 -1.057 0.000 2.733 230 F HA 0.209 4.736 4.527 0.001 0.000 0.380 230 F C 0.526 175.558 175.800 -1.280 0.000 1.324 230 F CA -0.667 56.714 58.000 -1.031 0.000 1.178 230 F CB 0.311 39.110 39.000 -0.335 0.000 1.093 230 F HN 0.640 nan 8.300 nan 0.000 0.512 231 D N 0.938 120.079 120.400 -2.099 0.000 2.860 231 D HA -0.227 4.414 4.640 0.001 0.000 0.229 231 D C 1.511 177.564 176.300 -0.412 0.000 1.169 231 D CA 1.804 55.135 54.000 -1.116 0.000 0.737 231 D CB -0.760 39.714 40.800 -0.543 0.000 1.080 231 D HN 0.798 nan 8.370 nan 0.000 0.424 232 G N -1.003 107.589 108.800 -0.345 0.000 2.241 232 G HA2 -0.413 3.548 3.960 0.001 0.000 0.244 232 G HA3 -0.413 3.548 3.960 0.001 0.000 0.244 232 G C 1.121 175.968 174.900 -0.087 0.000 0.998 232 G CA 0.608 45.633 45.100 -0.125 0.000 0.621 232 G HN 0.529 nan 8.290 nan 0.000 0.519 233 K N 0.714 121.056 120.400 -0.096 0.000 2.211 233 K HA -0.094 4.227 4.320 0.001 0.000 0.204 233 K C 1.885 178.411 176.600 -0.123 0.000 1.047 233 K CA 1.652 57.886 56.287 -0.088 0.000 0.935 233 K CB -0.177 32.278 32.500 -0.075 0.000 0.728 233 K HN 0.671 nan 8.250 nan 0.000 0.452 234 D N -0.655 119.693 120.400 -0.087 0.000 2.349 234 D HA 0.008 4.649 4.640 0.001 0.000 0.224 234 D C 0.872 177.155 176.300 -0.029 0.000 1.029 234 D CA 0.578 54.546 54.000 -0.054 0.000 0.879 234 D CB -0.149 40.686 40.800 0.057 0.000 0.906 234 D HN 0.173 nan 8.370 nan 0.000 0.528 235 G N 0.340 109.118 108.800 -0.037 0.000 2.295 235 G HA2 -0.238 3.723 3.960 0.001 0.000 0.287 235 G HA3 -0.238 3.723 3.960 0.001 0.000 0.287 235 G C -0.310 174.578 174.900 -0.020 0.000 1.055 235 G CA 0.272 45.355 45.100 -0.030 0.000 0.922 235 G HN 0.421 nan 8.290 nan 0.000 0.503 236 L N -0.469 120.749 121.223 -0.008 0.000 2.381 236 L HA 0.435 4.776 4.340 0.001 0.000 0.274 236 L C 0.733 177.613 176.870 0.017 0.000 0.988 236 L CA -1.098 53.740 54.840 -0.004 0.000 0.824 236 L CB 1.954 44.009 42.059 -0.008 0.000 1.263 236 L HN 0.194 nan 8.230 nan 0.000 0.410 237 K N 2.198 122.606 120.400 0.012 0.000 2.430 237 K HA -0.104 4.217 4.320 0.001 0.000 0.280 237 K C 0.918 177.550 176.600 0.053 0.000 1.063 237 K CA 0.080 56.384 56.287 0.029 0.000 1.071 237 K CB 0.868 33.378 32.500 0.017 0.000 0.899 237 K HN 0.540 nan 8.250 nan 0.000 0.473 238 Q N 3.373 123.224 119.800 0.085 0.000 2.181 238 Q HA -0.239 4.101 4.340 0.001 0.000 0.205 238 Q C 1.266 177.366 176.000 0.166 0.000 0.980 238 Q CA 2.140 58.017 55.803 0.124 0.000 0.862 238 Q CB -0.065 28.742 28.738 0.115 0.000 0.905 238 Q HN 0.818 nan 8.270 nan 0.000 0.429 239 D N -0.515 119.947 120.400 0.102 0.000 2.178 239 D HA -0.071 4.570 4.640 0.001 0.000 0.202 239 D C -0.069 176.308 176.300 0.128 0.000 0.974 239 D CA 0.850 54.900 54.000 0.084 0.000 0.841 239 D CB -0.070 40.752 40.800 0.037 0.000 0.953 239 D HN 0.324 nan 8.370 nan 0.000 0.478 240 A N 0.599 123.476 122.820 0.096 0.000 2.351 240 A HA 0.285 4.606 4.320 0.001 0.000 0.257 240 A C 0.457 178.076 177.584 0.058 0.000 1.087 240 A CA -0.356 51.715 52.037 0.058 0.000 0.798 240 A CB 0.394 19.395 19.000 0.001 0.000 1.033 240 A HN 0.228 nan 8.150 nan 0.000 0.488 241 R N 2.148 122.654 120.500 0.010 0.000 2.235 241 R HA 0.480 4.821 4.340 0.001 0.000 0.338 241 R C -1.139 175.093 176.300 -0.114 0.000 1.087 241 R CA -0.037 56.022 56.100 -0.068 0.000 0.948 241 R CB -0.328 29.951 30.300 -0.035 0.000 1.099 241 R HN 0.694 nan 8.270 nan 0.000 0.483 242 L N 4.577 125.699 121.223 -0.168 0.000 2.286 242 L HA 0.691 5.032 4.340 0.001 0.000 0.265 242 L C -0.507 176.276 176.870 -0.144 0.000 1.012 242 L CA -1.308 53.449 54.840 -0.138 0.000 0.818 242 L CB 1.790 43.773 42.059 -0.127 0.000 1.337 242 L HN 0.469 nan 8.230 nan 0.000 0.438 243 L N 0.639 121.783 121.223 -0.132 0.000 2.545 243 L HA 0.422 4.763 4.340 0.001 0.000 0.258 243 L C -1.032 175.750 176.870 -0.147 0.000 0.942 243 L CA -0.701 54.065 54.840 -0.122 0.000 0.855 243 L CB 2.797 44.786 42.059 -0.117 0.000 1.374 243 L HN 0.523 nan 8.230 nan 0.000 0.411 244 K N 1.320 121.620 120.400 -0.166 0.000 2.110 244 K HA 0.693 5.013 4.320 0.001 0.000 0.263 244 K C -1.133 175.395 176.600 -0.121 0.000 0.975 244 K CA -0.704 55.437 56.287 -0.243 0.000 0.895 244 K CB 2.435 34.574 32.500 -0.602 0.000 1.060 244 K HN 0.206 nan 8.250 nan 0.000 0.448 245 V N 4.437 124.284 119.914 -0.112 0.000 2.409 245 V HA 0.314 4.435 4.120 0.001 0.000 0.291 245 V C -0.391 175.680 176.094 -0.039 0.000 1.020 245 V CA -0.890 61.365 62.300 -0.075 0.000 0.848 245 V CB 1.257 33.008 31.823 -0.121 0.000 0.990 245 V HN 0.595 nan 8.190 nan 0.000 0.430 246 I N 3.705 124.251 120.570 -0.040 0.000 2.377 246 I HA 0.511 4.681 4.170 0.001 0.000 0.293 246 I C 0.417 176.418 176.117 -0.193 0.000 0.987 246 I CA 0.205 61.433 61.300 -0.121 0.000 1.185 246 I CB 1.794 39.708 38.000 -0.143 0.000 1.341 246 I HN 0.570 nan 8.210 nan 0.000 0.455 247 S N 5.819 121.356 115.700 -0.272 0.000 2.621 247 S HA 0.783 5.253 4.470 0.001 0.000 0.302 247 S C -1.025 173.260 174.600 -0.525 0.000 1.093 247 S CA -0.458 57.602 58.200 -0.235 0.000 1.017 247 S CB 1.846 65.077 63.200 0.051 0.000 1.077 247 S HN 0.371 nan 8.310 nan 0.000 0.517 248 Y N 0.119 120.420 120.300 0.000 0.000 2.609 248 Y HA 0.645 5.195 4.550 0.001 0.000 0.342 248 Y C -0.705 175.228 175.900 0.054 0.000 1.058 248 Y CA -1.144 56.999 58.100 0.072 0.000 1.055 248 Y CB 1.054 39.592 38.460 0.129 0.000 1.292 248 Y HN 0.475 nan 8.280 nan 0.000 0.476 249 L N 2.200 123.600 121.223 0.295 0.000 2.307 249 L HA 0.461 4.801 4.340 0.001 0.000 0.284 249 L C -0.706 176.264 176.870 0.165 0.000 1.023 249 L CA -0.425 54.514 54.840 0.167 0.000 0.810 249 L CB 1.081 43.214 42.059 0.123 0.000 1.231 249 L HN 0.600 nan 8.230 nan 0.000 0.423 250 D N 3.736 124.181 120.400 0.075 0.000 2.316 250 D HA 0.124 4.764 4.640 0.001 0.000 0.245 250 D C 0.310 176.600 176.300 -0.017 0.000 1.171 250 D CA 0.018 54.059 54.000 0.068 0.000 0.856 250 D CB 1.470 42.287 40.800 0.028 0.000 1.090 250 D HN 0.427 nan 8.370 nan 0.000 0.476 251 V N 3.069 122.928 119.914 -0.092 0.000 3.621 251 V HA 0.212 4.332 4.120 0.001 0.000 0.285 251 V C 1.721 177.775 176.094 -0.067 0.000 1.346 251 V CA 0.480 62.680 62.300 -0.167 0.000 1.104 251 V CB 0.039 31.589 31.823 -0.454 0.000 0.913 251 V HN 0.890 nan 8.190 nan 0.000 0.432 252 G N 2.154 110.946 108.800 -0.013 0.000 2.141 252 G HA2 -0.250 3.711 3.960 0.001 0.000 0.242 252 G HA3 -0.250 3.711 3.960 0.001 0.000 0.242 252 G C 0.363 175.262 174.900 -0.002 0.000 0.982 252 G CA 0.439 45.538 45.100 -0.002 0.000 0.662 252 G HN 0.694 nan 8.290 nan 0.000 0.527 253 D N -0.273 120.138 120.400 0.019 0.000 2.340 253 D HA 0.384 5.025 4.640 0.001 0.000 0.217 253 D C 1.812 178.070 176.300 -0.070 0.000 1.081 253 D CA 0.445 54.446 54.000 0.002 0.000 0.842 253 D CB -0.537 40.311 40.800 0.079 0.000 0.934 253 D HN 1.509 nan 8.370 nan 0.000 0.511 254 G N 0.798 109.576 108.800 -0.038 0.000 2.189 254 G HA2 -0.346 3.615 3.960 0.001 0.000 0.267 254 G HA3 -0.346 3.615 3.960 0.001 0.000 0.267 254 G C 0.216 175.066 174.900 -0.084 0.000 0.975 254 G CA 0.305 45.348 45.100 -0.095 0.000 0.644 254 G HN 0.613 nan 8.290 nan 0.000 0.537 255 N N -0.184 118.535 118.700 0.032 0.000 2.750 255 N HA 0.402 5.142 4.740 0.001 0.000 0.253 255 N C 0.933 176.533 175.510 0.150 0.000 1.408 255 N CA -0.493 52.638 53.050 0.135 0.000 0.780 255 N CB -0.074 38.519 38.487 0.176 0.000 1.191 255 N HN 0.359 nan 8.380 nan 0.000 0.511 256 Y N -0.493 119.873 120.300 0.109 0.000 2.483 256 Y HA 0.080 4.630 4.550 0.001 0.000 0.291 256 Y C 0.965 176.829 175.900 -0.060 0.000 1.143 256 Y CA 0.373 58.522 58.100 0.082 0.000 1.289 256 Y CB -0.635 37.752 38.460 -0.121 0.000 0.983 256 Y HN 0.302 nan 8.280 nan 0.000 0.556 257 W N 1.131 122.174 121.300 -0.428 0.000 2.468 257 W HA 0.062 4.722 4.660 0.001 0.000 0.262 257 W C 2.102 178.677 176.519 0.093 0.000 1.241 257 W CA 1.134 58.250 57.345 -0.383 0.000 1.232 257 W CB -0.181 29.043 29.460 -0.394 0.000 1.124 257 W HN 0.189 nan 8.180 nan 0.000 0.597 258 A N -0.678 122.258 122.820 0.193 0.000 2.337 258 A HA 0.088 4.409 4.320 0.001 0.000 0.227 258 A C 0.094 177.449 177.584 -0.381 0.000 1.259 258 A CA 0.299 52.402 52.037 0.110 0.000 0.870 258 A CB -0.597 18.372 19.000 -0.050 0.000 0.927 258 A HN 0.316 nan 8.150 nan 0.000 0.497 259 H N 0.388 119.717 119.070 0.433 0.000 2.597 259 H HA 0.210 4.767 4.556 0.001 0.000 0.225 259 H C -3.061 172.496 175.328 0.382 0.000 1.422 259 H CA -1.805 54.450 56.048 0.345 0.000 1.335 259 H CB 0.095 30.018 29.762 0.268 0.000 1.783 259 H HN 0.319 nan 8.280 nan 0.000 0.513 260 P HA 0.119 nan 4.420 nan 0.000 0.271 260 P C 0.350 177.701 177.300 0.085 0.000 1.216 260 P CA -0.086 63.141 63.100 0.212 0.000 0.776 260 P CB 1.644 33.495 31.700 0.250 0.000 0.881 261 I N 1.914 122.448 120.570 -0.060 0.000 2.395 261 I HA 0.194 4.365 4.170 0.001 0.000 0.282 261 I C 0.913 177.000 176.117 -0.050 0.000 1.107 261 I CA -0.622 60.659 61.300 -0.033 0.000 1.210 261 I CB 0.242 38.210 38.000 -0.055 0.000 1.456 261 I HN 0.278 nan 8.210 nan 0.000 0.504 262 E N 4.381 124.591 120.200 0.018 0.000 2.398 262 E HA 0.062 4.413 4.350 0.001 0.000 0.263 262 E C 0.312 176.935 176.600 0.039 0.000 1.046 262 E CA 0.649 57.085 56.400 0.059 0.000 0.908 262 E CB 0.261 30.035 29.700 0.124 0.000 0.963 262 E HN 0.520 nan 8.360 nan 0.000 0.431 263 N N 0.594 119.332 118.700 0.064 0.000 2.818 263 N HA -0.247 4.493 4.740 0.001 0.000 0.250 263 N C -1.212 174.297 175.510 -0.002 0.000 1.108 263 N CA 0.204 53.284 53.050 0.051 0.000 0.745 263 N CB -0.881 37.636 38.487 0.049 0.000 1.104 263 N HN 0.183 nan 8.380 nan 0.000 0.557 264 L N 0.970 122.174 121.223 -0.032 0.000 2.406 264 L HA 0.606 4.946 4.340 0.001 0.000 0.270 264 L C -1.120 175.729 176.870 -0.035 0.000 0.982 264 L CA -0.795 54.004 54.840 -0.068 0.000 0.843 264 L CB 1.877 43.852 42.059 -0.141 0.000 1.225 264 L HN -0.124 nan 8.230 nan 0.000 0.412 265 V N 4.169 124.071 119.914 -0.020 0.000 2.531 265 V HA 0.897 5.017 4.120 0.001 0.000 0.301 265 V C -0.046 176.048 176.094 -0.001 0.000 1.034 265 V CA -0.439 61.847 62.300 -0.023 0.000 0.865 265 V CB 1.569 33.347 31.823 -0.076 0.000 0.995 265 V HN 0.894 nan 8.190 nan 0.000 0.424 266 A N 4.344 127.185 122.820 0.035 0.000 2.318 266 A HA 0.854 5.175 4.320 0.001 0.000 0.324 266 A C -0.725 176.816 177.584 -0.070 0.000 1.170 266 A CA -0.568 51.494 52.037 0.042 0.000 0.810 266 A CB 1.526 20.620 19.000 0.157 0.000 1.198 266 A HN 0.674 nan 8.150 nan 0.000 0.484 267 V N 3.198 123.063 119.914 -0.082 0.000 2.407 267 V HA 0.391 4.511 4.120 0.001 0.000 0.278 267 V C -0.143 175.895 176.094 -0.094 0.000 1.037 267 V CA -0.335 61.894 62.300 -0.118 0.000 0.900 267 V CB 1.240 32.992 31.823 -0.117 0.000 0.983 267 V HN 0.621 nan 8.190 nan 0.000 0.459 268 V N 3.951 123.801 119.914 -0.107 0.000 2.459 268 V HA 0.395 4.516 4.120 0.001 0.000 0.295 268 V C -0.215 175.825 176.094 -0.089 0.000 1.029 268 V CA -0.625 61.617 62.300 -0.096 0.000 0.874 268 V CB 1.998 33.755 31.823 -0.111 0.000 0.985 268 V HN 0.879 nan 8.190 nan 0.000 0.438 269 D N 4.041 124.397 120.400 -0.073 0.000 2.359 269 D HA 0.304 4.944 4.640 0.001 0.000 0.230 269 D C 0.946 177.208 176.300 -0.063 0.000 1.118 269 D CA -0.220 53.740 54.000 -0.065 0.000 0.844 269 D CB 1.555 42.325 40.800 -0.050 0.000 1.059 269 D HN 0.409 nan 8.370 nan 0.000 0.493 270 L N 3.089 124.270 121.223 -0.069 0.000 1.989 270 L HA -0.166 4.175 4.340 0.001 0.000 0.211 270 L C 2.240 179.079 176.870 -0.052 0.000 1.071 270 L CA 1.149 55.952 54.840 -0.062 0.000 0.749 270 L CB -0.254 41.765 42.059 -0.067 0.000 0.890 270 L HN 0.470 nan 8.230 nan 0.000 0.431 271 E N -0.392 119.776 120.200 -0.054 0.000 2.153 271 E HA -0.278 4.072 4.350 0.001 0.000 0.194 271 E C 2.097 178.675 176.600 -0.036 0.000 0.988 271 E CA 0.992 57.364 56.400 -0.048 0.000 0.811 271 E CB -0.022 29.643 29.700 -0.058 0.000 0.746 271 E HN 0.475 nan 8.360 nan 0.000 0.466 272 Q N 0.877 120.655 119.800 -0.036 0.000 2.425 272 Q HA -0.034 4.307 4.340 0.001 0.000 0.204 272 Q C -0.342 175.639 176.000 -0.032 0.000 0.933 272 Q CA 0.082 55.867 55.803 -0.030 0.000 0.939 272 Q CB 0.172 28.893 28.738 -0.029 0.000 1.044 272 Q HN -0.013 nan 8.270 nan 0.000 0.513 273 K N 1.172 121.549 120.400 -0.038 0.000 3.540 273 K HA -0.236 4.085 4.320 0.001 0.000 0.274 273 K C -0.700 175.875 176.600 -0.042 0.000 0.890 273 K CA 0.886 57.149 56.287 -0.040 0.000 0.701 273 K CB -1.067 31.414 32.500 -0.031 0.000 1.523 273 K HN 0.182 nan 8.250 nan 0.000 0.450 274 K N 0.598 120.970 120.400 -0.047 0.000 2.568 274 K HA 0.362 4.683 4.320 0.001 0.000 0.273 274 K C -0.924 175.646 176.600 -0.049 0.000 0.951 274 K CA -0.857 55.404 56.287 -0.043 0.000 0.854 274 K CB 1.382 33.863 32.500 -0.031 0.000 1.424 274 K HN 0.104 nan 8.250 nan 0.000 0.427 275 I N 4.437 124.981 120.570 -0.044 0.000 2.436 275 I HA 0.018 4.189 4.170 0.001 0.000 0.289 275 I C 1.343 177.444 176.117 -0.026 0.000 1.083 275 I CA -0.279 60.998 61.300 -0.038 0.000 1.372 275 I CB 1.165 39.157 38.000 -0.014 0.000 1.408 275 I HN 0.507 nan 8.210 nan 0.000 0.516 276 V N 2.704 122.597 119.914 -0.035 0.000 3.650 276 V HA 0.288 4.409 4.120 0.001 0.000 0.271 276 V C 0.479 176.557 176.094 -0.027 0.000 1.281 276 V CA 0.371 62.653 62.300 -0.030 0.000 1.120 276 V CB -0.539 31.263 31.823 -0.035 0.000 0.856 276 V HN 0.811 nan 8.190 nan 0.000 0.443 277 K N 0.209 120.593 120.400 -0.027 0.000 2.589 277 K HA 0.590 4.911 4.320 0.001 0.000 0.265 277 K C -2.129 174.462 176.600 -0.015 0.000 0.935 277 K CA -0.718 55.554 56.287 -0.026 0.000 0.850 277 K CB 2.441 34.917 32.500 -0.041 0.000 1.372 277 K HN 0.204 nan 8.250 nan 0.000 0.420 278 I N 3.687 124.251 120.570 -0.009 0.000 2.476 278 I HA 0.218 4.389 4.170 0.001 0.000 0.281 278 I C -0.673 175.431 176.117 -0.021 0.000 1.040 278 I CA -0.625 60.675 61.300 -0.000 0.000 1.094 278 I CB 1.911 39.919 38.000 0.012 0.000 1.219 278 I HN 0.504 nan 8.210 nan 0.000 0.450 279 E N 6.429 126.613 120.200 -0.026 0.000 2.227 279 E HA 0.425 4.776 4.350 0.001 0.000 0.282 279 E C -0.862 175.724 176.600 -0.022 0.000 1.015 279 E CA -0.527 55.862 56.400 -0.019 0.000 0.823 279 E CB 1.692 31.388 29.700 -0.008 0.000 1.081 279 E HN 0.501 nan 8.360 nan 0.000 0.396 280 E N 1.192 121.379 120.200 -0.022 0.000 2.266 280 E HA 0.546 4.897 4.350 0.001 0.000 0.268 280 E C -0.373 176.223 176.600 -0.008 0.000 0.879 280 E CA -0.773 55.610 56.400 -0.029 0.000 0.762 280 E CB 2.214 31.884 29.700 -0.049 0.000 1.199 280 E HN 0.561 nan 8.360 nan 0.000 0.422 281 G N 1.733 110.533 108.800 0.001 0.000 3.251 281 G HA2 0.541 4.501 3.960 0.001 0.000 0.248 281 G HA3 0.541 4.501 3.960 0.001 0.000 0.248 281 G C -2.658 172.248 174.900 0.009 0.000 1.320 281 G CA -1.363 43.747 45.100 0.016 0.000 0.982 281 G HN 0.254 nan 8.290 nan 0.000 0.575 282 P HA 0.234 nan 4.420 nan 0.000 0.267 282 P C -0.270 177.037 177.300 0.012 0.000 1.200 282 P CA -0.299 62.809 63.100 0.014 0.000 0.772 282 P CB 0.881 32.594 31.700 0.022 0.000 0.855 283 V N 4.119 124.035 119.914 0.004 0.000 2.508 283 V HA 0.119 4.240 4.120 0.001 0.000 0.281 283 V C 0.324 176.426 176.094 0.014 0.000 1.041 283 V CA 0.080 62.381 62.300 0.001 0.000 1.016 283 V CB 0.976 32.795 31.823 -0.007 0.000 0.984 283 V HN 0.218 nan 8.190 nan 0.000 0.478 284 V N 7.166 127.092 119.914 0.021 0.000 2.444 284 V HA 0.356 4.476 4.120 0.001 0.000 0.294 284 V C -2.298 173.819 176.094 0.038 0.000 1.022 284 V CA -1.982 60.338 62.300 0.034 0.000 0.850 284 V CB 1.780 33.632 31.823 0.049 0.000 0.992 284 V HN 0.759 nan 8.190 nan 0.000 0.426 285 P HA 0.037 nan 4.420 nan 0.000 0.261 285 P C -0.263 177.079 177.300 0.071 0.000 1.183 285 P CA 0.096 63.224 63.100 0.046 0.000 0.761 285 P CB 0.314 32.039 31.700 0.042 0.000 0.785 286 V N 7.251 127.213 119.914 0.079 0.000 2.540 286 V HA 0.034 4.155 4.120 0.001 0.000 0.297 286 V C -1.790 174.402 176.094 0.162 0.000 1.024 286 V CA -1.027 61.347 62.300 0.123 0.000 1.105 286 V CB -0.056 31.839 31.823 0.121 0.000 0.938 286 V HN 0.560 nan 8.190 nan 0.000 0.482 287 P HA 0.130 nan 4.420 nan 0.000 0.265 287 P C 0.532 178.066 177.300 0.389 0.000 1.222 287 P CA 0.186 63.434 63.100 0.246 0.000 0.767 287 P CB 0.438 32.270 31.700 0.221 0.000 0.801 288 M N 0.314 120.081 119.600 0.278 0.000 2.545 288 M HA 0.044 4.524 4.480 0.001 0.000 0.264 288 M C 0.560 177.003 176.300 0.238 0.000 1.155 288 M CA 0.714 56.141 55.300 0.211 0.000 1.162 288 M CB -1.032 31.626 32.600 0.097 0.000 1.330 288 M HN 0.149 nan 8.290 nan 0.000 0.479 289 T N 2.831 117.543 114.554 0.264 0.000 2.891 289 T HA 0.159 4.510 4.350 0.001 0.000 0.296 289 T C 0.430 175.329 174.700 0.330 0.000 1.025 289 T CA -0.055 62.192 62.100 0.245 0.000 1.149 289 T CB 0.190 69.198 68.868 0.234 0.000 1.007 289 T HN 0.369 nan 8.240 nan 0.000 0.528 290 A N 4.727 127.676 122.820 0.215 0.000 2.524 290 A HA 0.323 4.644 4.320 0.001 0.000 0.250 290 A C 0.818 178.510 177.584 0.180 0.000 1.078 290 A CA -0.147 52.010 52.037 0.200 0.000 0.761 290 A CB 0.184 19.241 19.000 0.096 0.000 1.012 290 A HN 0.694 nan 8.150 nan 0.000 0.500 291 R N 3.083 123.690 120.500 0.179 0.000 2.674 291 R HA 0.248 4.588 4.340 0.001 0.000 0.270 291 R C -2.995 173.291 176.300 -0.023 0.000 1.492 291 R CA -1.524 54.617 56.100 0.068 0.000 1.624 291 R CB 0.834 31.183 30.300 0.081 0.000 1.307 291 R HN 0.600 nan 8.270 nan 0.000 0.683 292 P HA 0.039 nan 4.420 nan 0.000 0.269 292 P C 0.087 177.284 177.300 -0.171 0.000 1.209 292 P CA -0.026 62.958 63.100 -0.193 0.000 0.776 292 P CB 0.411 32.014 31.700 -0.162 0.000 0.876 293 F N -0.028 119.852 119.950 -0.116 0.000 2.746 293 F HA 0.241 4.769 4.527 0.001 0.000 0.320 293 F C 0.972 176.715 175.800 -0.095 0.000 1.097 293 F CA -0.418 57.497 58.000 -0.141 0.000 1.195 293 F CB -0.829 38.050 39.000 -0.202 0.000 1.056 293 F HN 0.099 nan 8.300 nan 0.000 0.562 294 D N 0.139 120.352 120.400 -0.311 0.000 2.340 294 D HA 0.203 4.843 4.640 0.001 0.000 0.220 294 D C 1.885 178.148 176.300 -0.061 0.000 1.039 294 D CA 0.632 54.557 54.000 -0.125 0.000 0.866 294 D CB -0.112 40.544 40.800 -0.240 0.000 0.913 294 D HN 0.494 nan 8.370 nan 0.000 0.523 295 G N 1.742 110.507 108.800 -0.059 0.000 2.176 295 G HA2 -0.437 3.523 3.960 0.001 0.000 0.253 295 G HA3 -0.437 3.523 3.960 0.001 0.000 0.253 295 G C 1.235 176.110 174.900 -0.042 0.000 0.979 295 G CA 0.483 45.562 45.100 -0.034 0.000 0.641 295 G HN 0.577 nan 8.290 nan 0.000 0.530 296 R N 0.592 121.052 120.500 -0.066 0.000 2.117 296 R HA -0.121 4.220 4.340 0.001 0.000 0.243 296 R C 1.562 177.841 176.300 -0.034 0.000 1.143 296 R CA 2.108 58.177 56.100 -0.052 0.000 0.968 296 R CB -0.592 29.667 30.300 -0.069 0.000 0.863 296 R HN 0.462 nan 8.270 nan 0.000 0.444 297 D N -0.092 120.289 120.400 -0.032 0.000 2.368 297 D HA 0.063 4.703 4.640 0.001 0.000 0.218 297 D C -0.076 176.218 176.300 -0.008 0.000 1.112 297 D CA -0.196 53.794 54.000 -0.016 0.000 0.834 297 D CB 0.170 40.963 40.800 -0.011 0.000 0.953 297 D HN 0.042 nan 8.370 nan 0.000 0.505 298 R N 0.149 120.643 120.500 -0.011 0.000 2.787 298 R HA 0.542 4.882 4.340 0.001 0.000 0.271 298 R C -0.464 175.835 176.300 -0.002 0.000 0.993 298 R CA -1.029 55.068 56.100 -0.004 0.000 0.993 298 R CB 1.945 32.242 30.300 -0.005 0.000 1.155 298 R HN -0.111 nan 8.270 nan 0.000 0.486 299 V N 1.478 121.393 119.914 0.001 0.000 2.546 299 V HA 0.316 4.436 4.120 0.001 0.000 0.284 299 V C 0.445 176.541 176.094 0.002 0.000 1.050 299 V CA -0.763 61.538 62.300 0.002 0.000 0.981 299 V CB 1.380 33.206 31.823 0.005 0.000 0.990 299 V HN 0.835 nan 8.190 nan 0.000 0.474 300 A N 7.537 130.359 122.820 0.002 0.000 2.310 300 A HA 0.612 4.932 4.320 0.001 0.000 0.300 300 A C -1.386 176.200 177.584 0.004 0.000 1.269 300 A CA -1.109 50.929 52.037 0.003 0.000 0.909 300 A CB -0.351 18.650 19.000 0.002 0.000 1.144 300 A HN 0.761 nan 8.150 nan 0.000 0.540 301 P HA 0.357 nan 4.420 nan 0.000 0.271 301 P C -0.208 177.095 177.300 0.005 0.000 1.216 301 P CA -0.077 63.026 63.100 0.005 0.000 0.776 301 P CB 1.098 32.801 31.700 0.005 0.000 0.881 302 A N 2.833 125.656 122.820 0.005 0.000 2.409 302 A HA 0.481 4.802 4.320 0.001 0.000 0.262 302 A C -0.104 177.483 177.584 0.005 0.000 1.113 302 A CA -0.338 51.702 52.037 0.005 0.000 0.790 302 A CB 0.175 19.178 19.000 0.005 0.000 1.046 302 A HN 0.399 nan 8.150 nan 0.000 0.496 303 V N 3.592 123.509 119.914 0.005 0.000 2.709 303 V HA 0.283 4.404 4.120 0.001 0.000 0.308 303 V C -0.030 176.067 176.094 0.005 0.000 1.062 303 V CA -0.936 61.367 62.300 0.004 0.000 0.901 303 V CB 2.017 33.843 31.823 0.004 0.000 1.003 303 V HN 0.963 nan 8.190 nan 0.000 0.425 304 K N 4.695 125.097 120.400 0.003 0.000 2.270 304 K HA 0.374 4.694 4.320 0.001 0.000 0.276 304 K C -2.122 174.481 176.600 0.005 0.000 1.023 304 K CA -1.137 55.151 56.287 0.003 0.000 0.955 304 K CB 0.587 33.087 32.500 -0.001 0.000 0.975 304 K HN 0.532 nan 8.250 nan 0.000 0.471 305 P HA 0.000 nan 4.420 nan 0.000 0.269 305 P C -1.008 176.298 177.300 0.010 0.000 1.209 305 P CA 0.019 63.127 63.100 0.012 0.000 0.776 305 P CB 0.733 32.444 31.700 0.018 0.000 0.876 306 M N 2.158 121.765 119.600 0.012 0.000 2.267 306 M HA 0.268 4.748 4.480 0.001 0.000 0.289 306 M C -1.556 174.754 176.300 0.018 0.000 1.043 306 M CA -0.360 54.946 55.300 0.010 0.000 0.928 306 M CB 2.242 34.844 32.600 0.003 0.000 1.613 306 M HN 0.329 nan 8.290 nan 0.000 0.450 307 Q N 4.896 124.711 119.800 0.026 0.000 2.375 307 Q HA 0.617 4.957 4.340 0.001 0.000 0.271 307 Q C -1.340 174.684 176.000 0.040 0.000 1.074 307 Q CA -0.741 55.087 55.803 0.043 0.000 0.808 307 Q CB 3.288 32.070 28.738 0.073 0.000 1.327 307 Q HN 0.737 nan 8.270 nan 0.000 0.441 308 I N 4.341 124.938 120.570 0.045 0.000 2.328 308 I HA 0.424 4.595 4.170 0.001 0.000 0.287 308 I C -0.225 175.933 176.117 0.067 0.000 1.012 308 I CA -0.651 60.675 61.300 0.043 0.000 1.195 308 I CB 0.637 38.661 38.000 0.039 0.000 1.350 308 I HN 0.506 nan 8.210 nan 0.000 0.464 309 I N 2.452 123.049 120.570 0.046 0.000 2.646 309 I HA 0.612 4.782 4.170 0.001 0.000 0.299 309 I C -0.784 175.294 176.117 -0.066 0.000 1.036 309 I CA -0.600 60.717 61.300 0.028 0.000 1.074 309 I CB 2.295 40.313 38.000 0.030 0.000 1.258 309 I HN 0.494 nan 8.210 nan 0.000 0.430 310 E N 5.345 125.485 120.200 -0.099 0.000 3.108 310 E HA 0.244 4.595 4.350 0.001 0.000 0.228 310 E C -2.087 174.371 176.600 -0.238 0.000 1.176 310 E CA -1.523 54.807 56.400 -0.116 0.000 0.881 310 E CB 1.299 30.989 29.700 -0.017 0.000 1.354 310 E HN 0.557 nan 8.360 nan 0.000 0.400 311 P HA -0.181 nan 4.420 nan 0.000 0.221 311 P C 0.307 177.483 177.300 -0.207 0.000 1.145 311 P CA 1.178 63.838 63.100 -0.733 0.000 0.795 311 P CB 0.415 31.666 31.700 -0.749 0.000 0.775 312 E N -0.533 119.592 120.200 -0.125 0.000 2.501 312 E HA 0.372 4.722 4.350 0.001 0.000 0.200 312 E C 0.820 177.404 176.600 -0.026 0.000 1.016 312 E CA -0.050 56.322 56.400 -0.046 0.000 0.921 312 E CB 0.449 30.122 29.700 -0.045 0.000 1.034 312 E HN 0.216 nan 8.360 nan 0.000 0.468 313 G N 1.407 110.192 108.800 -0.025 0.000 2.566 313 G HA2 -0.156 3.804 3.960 0.001 0.000 0.599 313 G HA3 -0.156 3.804 3.960 0.001 0.000 0.599 313 G C -0.901 173.945 174.900 -0.091 0.000 1.292 313 G CA -0.995 44.086 45.100 -0.032 0.000 0.922 313 G HN -0.069 nan 8.290 nan 0.000 0.514 314 K N -0.152 120.131 120.400 -0.195 0.000 2.132 314 K HA 0.427 4.747 4.320 0.001 0.000 0.241 314 K C 1.077 177.519 176.600 -0.263 0.000 1.000 314 K CA -0.649 55.409 56.287 -0.381 0.000 0.911 314 K CB 0.773 32.661 32.500 -1.021 0.000 1.093 314 K HN 0.547 nan 8.250 nan 0.000 0.460 315 N N -0.396 118.214 118.700 -0.150 0.000 2.353 315 N HA -0.002 4.739 4.740 0.001 0.000 0.185 315 N C -0.585 175.052 175.510 0.212 0.000 1.098 315 N CA 0.078 53.177 53.050 0.080 0.000 0.872 315 N CB 0.080 38.711 38.487 0.240 0.000 0.970 315 N HN 0.450 nan 8.380 nan 0.000 0.467 316 Y N -1.470 118.986 120.300 0.261 0.000 2.528 316 Y HA 0.723 5.273 4.550 0.001 0.000 0.335 316 Y C -0.315 175.613 175.900 0.046 0.000 1.093 316 Y CA -1.168 57.055 58.100 0.205 0.000 1.134 316 Y CB 0.768 39.310 38.460 0.135 0.000 1.253 316 Y HN -0.333 nan 8.280 nan 0.000 0.478 317 T N 3.622 118.308 114.554 0.220 0.000 2.861 317 T HA 0.559 4.909 4.350 0.001 0.000 0.287 317 T C -0.692 174.007 174.700 -0.001 0.000 1.003 317 T CA -0.580 61.560 62.100 0.066 0.000 0.977 317 T CB 0.987 69.904 68.868 0.083 0.000 0.996 317 T HN 0.608 nan 8.240 nan 0.000 0.448 318 I N 3.064 123.547 120.570 -0.145 0.000 2.405 318 I HA 0.258 4.429 4.170 0.001 0.000 0.280 318 I C -0.022 176.066 176.117 -0.049 0.000 1.027 318 I CA -0.566 60.620 61.300 -0.190 0.000 1.161 318 I CB 1.107 38.843 38.000 -0.438 0.000 1.300 318 I HN 0.528 nan 8.210 nan 0.000 0.463 319 T N 5.162 119.704 114.554 -0.019 0.000 2.781 319 T HA 0.511 4.862 4.350 0.001 0.000 0.305 319 T C 0.858 175.579 174.700 0.036 0.000 1.001 319 T CA 0.256 62.379 62.100 0.037 0.000 0.950 319 T CB 1.300 70.191 68.868 0.039 0.000 0.955 319 T HN 1.009 nan 8.240 nan 0.000 0.471 320 G N 4.174 113.017 108.800 0.071 0.000 2.565 320 G HA2 -0.271 3.690 3.960 0.001 0.000 0.295 320 G HA3 -0.271 3.690 3.960 0.001 0.000 0.295 320 G C 0.286 175.174 174.900 -0.021 0.000 1.165 320 G CA 0.323 45.452 45.100 0.049 0.000 0.977 320 G HN 0.634 nan 8.290 nan 0.000 0.546 321 D N 1.168 121.490 120.400 -0.129 0.000 2.395 321 D HA 0.243 4.883 4.640 0.001 0.000 0.213 321 D C 0.980 176.980 176.300 -0.500 0.000 1.110 321 D CA 0.110 53.900 54.000 -0.350 0.000 0.835 321 D CB 0.205 40.666 40.800 -0.565 0.000 0.965 321 D HN 0.300 nan 8.370 nan 0.000 0.505 322 M N 1.135 120.559 119.600 -0.293 0.000 2.233 322 M HA 0.376 4.856 4.480 0.001 0.000 0.355 322 M C -0.133 175.969 176.300 -0.330 0.000 1.191 322 M CA -0.235 54.888 55.300 -0.296 0.000 1.101 322 M CB 2.165 34.720 32.600 -0.075 0.000 1.592 322 M HN -0.287 nan 8.290 nan 0.000 0.461 323 I N 2.009 122.228 120.570 -0.584 0.000 2.433 323 I HA 0.266 4.437 4.170 0.001 0.000 0.292 323 I C -0.675 175.234 176.117 -0.347 0.000 1.001 323 I CA -0.691 60.255 61.300 -0.590 0.000 1.119 323 I CB 1.636 38.983 38.000 -1.088 0.000 1.289 323 I HN 0.631 nan 8.210 nan 0.000 0.438 324 H N 5.544 124.539 119.070 -0.125 0.000 2.489 324 H HA 0.472 5.028 4.556 0.001 0.000 0.343 324 H C -1.936 173.532 175.328 0.235 0.000 1.086 324 H CA -0.582 55.496 56.048 0.049 0.000 1.198 324 H CB 1.335 31.120 29.762 0.038 0.000 1.490 324 H HN 0.581 nan 8.280 nan 0.000 0.504 325 W N 8.586 129.586 121.300 -0.499 0.000 3.089 325 W HA 0.374 5.034 4.660 0.001 0.000 0.333 325 W C -0.645 175.740 176.519 -0.224 0.000 1.053 325 W CA -0.542 56.660 57.345 -0.237 0.000 1.257 325 W CB 0.474 29.941 29.460 0.013 0.000 1.281 325 W HN 0.997 nan 8.180 nan 0.000 0.427 326 R N 2.469 122.503 120.500 -0.777 0.000 3.923 326 R HA -0.383 3.957 4.340 0.001 0.000 0.400 326 R C 0.690 176.683 176.300 -0.512 0.000 0.241 326 R CA 2.023 57.706 56.100 -0.695 0.000 1.284 326 R CB -1.160 28.524 30.300 -1.026 0.000 1.006 326 R HN 0.718 nan 8.270 nan 0.000 0.559 327 N N -0.285 118.062 118.700 -0.588 0.000 2.461 327 N HA 0.033 4.773 4.740 0.001 0.000 0.188 327 N C -0.180 174.954 175.510 -0.627 0.000 1.134 327 N CA 0.085 52.704 53.050 -0.718 0.000 0.878 327 N CB 0.072 37.750 38.487 -1.349 0.000 0.972 327 N HN 0.176 nan 8.380 nan 0.000 0.456 328 W N 1.280 122.434 121.300 -0.244 0.000 2.381 328 W HA 0.353 5.014 4.660 0.001 0.000 0.329 328 W C -0.181 176.398 176.519 0.100 0.000 1.157 328 W CA -0.573 56.795 57.345 0.038 0.000 1.240 328 W CB 0.942 30.543 29.460 0.235 0.000 1.199 328 W HN -0.179 nan 8.180 nan 0.000 0.579 329 D N 2.558 123.291 120.400 0.555 0.000 2.890 329 D HA 0.348 4.989 4.640 0.001 0.000 0.233 329 D C -1.132 175.454 176.300 0.476 0.000 1.306 329 D CA -0.297 53.944 54.000 0.401 0.000 0.929 329 D CB 1.965 42.977 40.800 0.354 0.000 1.512 329 D HN 0.232 nan 8.370 nan 0.000 0.568 330 F N -0.825 119.168 119.950 0.071 0.000 2.741 330 F HA 0.447 4.974 4.527 0.001 0.000 0.313 330 F C -1.425 174.334 175.800 -0.068 0.000 1.153 330 F CA -0.988 57.015 58.000 0.005 0.000 0.931 330 F CB 1.634 40.575 39.000 -0.098 0.000 1.335 330 F HN 0.163 nan 8.300 nan 0.000 0.460 331 H N 2.038 121.054 119.070 -0.091 0.000 2.469 331 H HA 0.704 5.260 4.556 0.001 0.000 0.342 331 H C -2.025 173.190 175.328 -0.187 0.000 1.115 331 H CA -0.758 55.100 56.048 -0.317 0.000 1.204 331 H CB 2.123 31.541 29.762 -0.574 0.000 1.492 331 H HN 0.826 nan 8.280 nan 0.000 0.499 332 L N 4.813 125.683 121.223 -0.588 0.000 2.376 332 L HA 0.363 4.704 4.340 0.001 0.000 0.275 332 L C -0.911 175.706 176.870 -0.420 0.000 0.987 332 L CA -0.190 54.443 54.840 -0.346 0.000 0.828 332 L CB 1.365 43.285 42.059 -0.232 0.000 1.249 332 L HN 0.718 nan 8.230 nan 0.000 0.409 333 S N 3.994 119.545 115.700 -0.248 0.000 2.704 333 S HA 0.872 5.342 4.470 0.001 0.000 0.296 333 S C -0.738 173.749 174.600 -0.188 0.000 1.138 333 S CA -0.903 57.193 58.200 -0.173 0.000 0.875 333 S CB 1.752 64.938 63.200 -0.023 0.000 1.151 333 S HN 0.637 nan 8.310 nan 0.000 0.500 334 M N 2.549 122.059 119.600 -0.150 0.000 2.393 334 M HA 0.520 5.001 4.480 0.001 0.000 0.316 334 M C -1.257 174.963 176.300 -0.133 0.000 1.087 334 M CA -0.472 54.721 55.300 -0.178 0.000 0.937 334 M CB 1.744 34.265 32.600 -0.131 0.000 1.668 334 M HN 0.868 nan 8.290 nan 0.000 0.438 335 N N 1.484 120.087 118.700 -0.160 0.000 2.284 335 N HA 0.289 5.029 4.740 0.001 0.000 0.300 335 N C 0.101 175.578 175.510 -0.055 0.000 1.047 335 N CA 0.151 53.148 53.050 -0.089 0.000 0.821 335 N CB 1.772 40.210 38.487 -0.081 0.000 1.337 335 N HN 0.867 nan 8.380 nan 0.000 0.482 336 S N 3.270 118.970 115.700 0.000 0.000 2.419 336 S HA -0.147 4.323 4.470 0.001 0.000 0.233 336 S C 1.707 176.344 174.600 0.062 0.000 1.016 336 S CA 0.767 58.994 58.200 0.045 0.000 0.974 336 S CB 0.022 63.257 63.200 0.059 0.000 0.786 336 S HN 0.739 nan 8.310 nan 0.000 0.492 337 R N 0.975 121.493 120.500 0.030 0.000 2.055 337 R HA 0.085 4.426 4.340 0.001 0.000 0.221 337 R C 2.146 178.473 176.300 0.044 0.000 1.154 337 R CA 1.474 57.584 56.100 0.016 0.000 0.975 337 R CB -0.198 30.056 30.300 -0.077 0.000 0.869 337 R HN 0.451 nan 8.270 nan 0.000 0.437 338 V N -1.677 118.245 119.914 0.014 0.000 3.647 338 V HA 0.442 4.563 4.120 0.001 0.000 0.279 338 V C 0.814 176.750 176.094 -0.263 0.000 1.314 338 V CA 0.409 62.700 62.300 -0.015 0.000 1.125 338 V CB -0.196 31.652 31.823 0.041 0.000 0.907 338 V HN 0.677 nan 8.190 nan 0.000 0.434 339 G N 1.347 109.922 108.800 -0.375 0.000 2.498 339 G HA2 -0.189 3.771 3.960 0.001 0.000 0.245 339 G HA3 -0.189 3.771 3.960 0.001 0.000 0.245 339 G C -2.474 171.945 174.900 -0.801 0.000 1.204 339 G CA -0.175 44.345 45.100 -0.966 0.000 0.933 339 G HN 0.633 nan 8.290 nan 0.000 0.574 340 P HA 0.319 nan 4.420 nan 0.000 0.266 340 P C -0.445 176.543 177.300 -0.519 0.000 1.195 340 P CA 0.664 63.390 63.100 -0.624 0.000 0.768 340 P CB 0.419 31.784 31.700 -0.559 0.000 0.838 341 M N 3.363 122.705 119.600 -0.430 0.000 2.204 341 M HA 0.364 4.845 4.480 0.001 0.000 0.293 341 M C -0.431 175.638 176.300 -0.385 0.000 0.994 341 M CA -0.799 54.258 55.300 -0.405 0.000 0.925 341 M CB 2.039 34.473 32.600 -0.277 0.000 1.577 341 M HN 0.116 nan 8.290 nan 0.000 0.439 342 I N 2.697 122.962 120.570 -0.509 0.000 2.304 342 I HA 0.403 4.574 4.170 0.001 0.000 0.291 342 I C 0.039 176.004 176.117 -0.253 0.000 1.018 342 I CA 0.082 61.174 61.300 -0.347 0.000 1.260 342 I CB 0.666 38.354 38.000 -0.521 0.000 1.390 342 I HN 0.624 nan 8.210 nan 0.000 0.475 343 S N 3.072 118.688 115.700 -0.140 0.000 2.677 343 S HA 0.472 4.942 4.470 0.001 0.000 0.304 343 S C 0.139 174.642 174.600 -0.161 0.000 1.108 343 S CA -0.606 57.426 58.200 -0.280 0.000 0.944 343 S CB 1.763 64.725 63.200 -0.396 0.000 1.127 343 S HN 0.802 nan 8.310 nan 0.000 0.511 344 T N -1.337 112.985 114.554 -0.387 0.000 3.361 344 T HA -0.154 4.196 4.350 0.001 0.000 0.417 344 T C -0.119 174.742 174.700 0.269 0.000 0.769 344 T CA -0.001 61.944 62.100 -0.260 0.000 2.085 344 T CB -2.411 66.403 68.868 -0.090 0.000 1.689 344 T HN 0.432 nan 8.240 nan 0.000 0.639 345 V N 2.851 122.978 119.914 0.355 0.000 2.432 345 V HA 0.643 4.764 4.120 0.001 0.000 0.271 345 V C 1.127 177.598 176.094 0.629 0.000 1.046 345 V CA 0.148 62.744 62.300 0.492 0.000 0.945 345 V CB 1.009 33.055 31.823 0.372 0.000 0.992 345 V HN 1.027 nan 8.190 nan 0.000 0.471 346 T N 2.053 116.983 114.554 0.626 0.000 2.916 346 T HA 0.651 5.002 4.350 0.001 0.000 0.292 346 T C -1.204 173.787 174.700 0.485 0.000 1.055 346 T CA -0.763 61.646 62.100 0.515 0.000 1.009 346 T CB 1.937 71.044 68.868 0.398 0.000 1.118 346 T HN 0.406 nan 8.240 nan 0.000 0.497 347 Y N 2.041 122.456 120.300 0.192 0.000 2.331 347 Y HA 0.529 5.079 4.550 0.001 0.000 0.334 347 Y C -0.212 175.730 175.900 0.070 0.000 0.960 347 Y CA -1.277 56.797 58.100 -0.044 0.000 1.130 347 Y CB 1.424 39.784 38.460 -0.167 0.000 1.164 347 Y HN 0.871 nan 8.280 nan 0.000 0.458 348 N N 4.581 123.215 118.700 -0.111 0.000 2.406 348 N HA 0.018 4.759 4.740 0.001 0.000 0.265 348 N C -1.264 174.333 175.510 0.145 0.000 1.203 348 N CA 0.215 53.280 53.050 0.025 0.000 0.945 348 N CB 0.256 38.717 38.487 -0.043 0.000 1.165 348 N HN 0.564 nan 8.380 nan 0.000 0.485 349 D N 3.559 124.124 120.400 0.276 0.000 2.456 349 D HA 0.153 4.794 4.640 0.001 0.000 0.219 349 D C -0.486 175.898 176.300 0.141 0.000 1.126 349 D CA -0.094 54.086 54.000 0.300 0.000 0.890 349 D CB -0.778 40.210 40.800 0.315 0.000 1.025 349 D HN 0.722 nan 8.370 nan 0.000 0.511 350 N N 2.882 121.639 118.700 0.094 0.000 2.699 350 N HA -0.278 4.463 4.740 0.001 0.000 0.256 350 N C 0.909 176.440 175.510 0.035 0.000 0.993 350 N CA 0.382 53.459 53.050 0.046 0.000 0.759 350 N CB -0.610 37.902 38.487 0.040 0.000 0.906 350 N HN 0.723 nan 8.380 nan 0.000 0.541 351 G N -1.757 107.063 108.800 0.034 0.000 2.254 351 G HA2 -0.286 3.674 3.960 0.001 0.000 0.225 351 G HA3 -0.286 3.674 3.960 0.001 0.000 0.225 351 G C 0.150 175.070 174.900 0.033 0.000 1.003 351 G CA 0.353 45.468 45.100 0.025 0.000 0.622 351 G HN 0.387 nan 8.290 nan 0.000 0.507 352 T N 2.690 117.272 114.554 0.048 0.000 2.753 352 T HA 0.502 4.852 4.350 0.001 0.000 0.297 352 T C 0.102 174.851 174.700 0.080 0.000 0.981 352 T CA -0.336 61.792 62.100 0.045 0.000 0.956 352 T CB 1.360 70.243 68.868 0.025 0.000 0.936 352 T HN 0.302 nan 8.240 nan 0.000 0.463 353 K N 4.025 124.471 120.400 0.077 0.000 2.349 353 K HA 0.232 4.553 4.320 0.001 0.000 0.289 353 K C 0.283 176.943 176.600 0.100 0.000 1.064 353 K CA -0.087 56.271 56.287 0.117 0.000 0.947 353 K CB 0.749 33.322 32.500 0.122 0.000 1.007 353 K HN 0.383 nan 8.250 nan 0.000 0.478 354 R N 2.747 123.350 120.500 0.171 0.000 2.407 354 R HA 0.204 4.545 4.340 0.001 0.000 0.303 354 R C -0.283 176.132 176.300 0.192 0.000 0.981 354 R CA -0.792 55.396 56.100 0.147 0.000 0.905 354 R CB 1.373 31.786 30.300 0.189 0.000 1.099 354 R HN 0.344 nan 8.270 nan 0.000 0.459 355 K N 1.182 121.598 120.400 0.028 0.000 2.382 355 K HA 0.049 4.370 4.320 0.001 0.000 0.275 355 K C 0.268 176.977 176.600 0.182 0.000 1.009 355 K CA -0.133 56.145 56.287 -0.014 0.000 0.970 355 K CB 0.962 33.241 32.500 -0.369 0.000 0.934 355 K HN 0.320 nan 8.250 nan 0.000 0.479 356 V N 1.974 122.034 119.914 0.244 0.000 3.161 356 V HA 0.158 4.279 4.120 0.001 0.000 0.221 356 V C -0.072 176.059 176.094 0.062 0.000 1.296 356 V CA 0.041 62.365 62.300 0.040 0.000 1.306 356 V CB 0.430 32.310 31.823 0.094 0.000 1.171 356 V HN 0.747 nan 8.190 nan 0.000 0.513 357 M N -1.168 118.574 119.600 0.236 0.000 2.267 357 M HA 0.368 4.848 4.480 0.001 0.000 0.289 357 M C -0.174 176.290 176.300 0.272 0.000 1.043 357 M CA -0.602 54.808 55.300 0.184 0.000 0.928 357 M CB 2.343 34.969 32.600 0.044 0.000 1.613 357 M HN 0.317 nan 8.290 nan 0.000 0.450 358 Y N 3.152 123.520 120.300 0.114 0.000 2.314 358 Y HA 0.289 4.840 4.550 0.001 0.000 0.294 358 Y C -0.113 175.632 175.900 -0.259 0.000 1.119 358 Y CA 1.367 59.352 58.100 -0.191 0.000 1.179 358 Y CB 0.579 38.907 38.460 -0.219 0.000 1.025 358 Y HN 0.720 nan 8.280 nan 0.000 0.541 359 E N -0.539 119.465 120.200 -0.327 0.000 2.343 359 E HA 0.488 4.839 4.350 0.001 0.000 0.286 359 E C -1.395 175.061 176.600 -0.240 0.000 0.915 359 E CA -0.340 55.809 56.400 -0.417 0.000 0.784 359 E CB 1.306 30.712 29.700 -0.491 0.000 1.251 359 E HN 0.291 nan 8.360 nan 0.000 0.407 360 G N 1.516 110.150 108.800 -0.275 0.000 2.682 360 G HA2 0.694 4.654 3.960 0.001 0.000 0.300 360 G HA3 0.694 4.654 3.960 0.001 0.000 0.300 360 G C -1.072 173.622 174.900 -0.344 0.000 1.391 360 G CA -0.044 44.931 45.100 -0.208 0.000 0.990 360 G HN 0.673 nan 8.290 nan 0.000 0.501 361 S N 0.236 115.900 115.700 -0.060 0.000 2.656 361 S HA 0.568 5.039 4.470 0.001 0.000 0.265 361 S C -1.367 173.457 174.600 0.372 0.000 1.132 361 S CA -0.811 57.381 58.200 -0.013 0.000 0.819 361 S CB 0.944 64.050 63.200 -0.156 0.000 1.119 361 S HN 1.589 nan 8.310 nan 0.000 0.476 362 L N 2.051 123.467 121.223 0.322 0.000 2.453 362 L HA 0.652 4.992 4.340 0.001 0.000 0.272 362 L C 1.252 178.192 176.870 0.117 0.000 1.182 362 L CA 1.263 56.248 54.840 0.243 0.000 0.858 362 L CB 0.414 42.481 42.059 0.013 0.000 1.120 362 L HN 1.017 nan 8.230 nan 0.000 0.474 363 G N 2.896 111.742 108.800 0.076 0.000 2.471 363 G HA2 0.469 4.430 3.960 0.001 0.000 0.211 363 G HA3 0.469 4.430 3.960 0.001 0.000 0.211 363 G C 0.385 175.361 174.900 0.126 0.000 1.194 363 G CA 0.515 45.695 45.100 0.133 0.000 0.816 363 G HN 1.129 nan 8.290 nan 0.000 0.545 364 G N -1.178 107.620 108.800 -0.005 0.000 2.451 364 G HA2 0.557 4.518 3.960 0.001 0.000 0.292 364 G HA3 0.557 4.518 3.960 0.001 0.000 0.292 364 G C -1.082 173.813 174.900 -0.009 0.000 1.427 364 G CA -0.318 44.759 45.100 -0.038 0.000 0.792 364 G HN 0.795 nan 8.290 nan 0.000 0.498 365 M N -0.712 118.925 119.600 0.063 0.000 2.622 365 M HA 0.876 5.357 4.480 0.001 0.000 0.276 365 M C -1.727 174.674 176.300 0.169 0.000 1.265 365 M CA -1.086 54.280 55.300 0.110 0.000 0.850 365 M CB 2.762 35.345 32.600 -0.029 0.000 1.720 365 M HN 0.732 nan 8.290 nan 0.000 0.465 366 I N 1.595 122.236 120.570 0.118 0.000 2.656 366 I HA 0.645 4.816 4.170 0.001 0.000 0.292 366 I C -1.809 174.321 176.117 0.022 0.000 1.144 366 I CA -0.952 60.424 61.300 0.126 0.000 1.038 366 I CB 2.485 40.583 38.000 0.165 0.000 1.244 366 I HN 0.660 nan 8.210 nan 0.000 0.420 367 V N 8.453 128.421 119.914 0.089 0.000 2.315 367 V HA 0.373 4.493 4.120 0.001 0.000 0.265 367 V C -2.358 173.745 176.094 0.014 0.000 1.019 367 V CA -1.155 61.157 62.300 0.020 0.000 0.824 367 V CB 0.948 32.877 31.823 0.177 0.000 1.072 367 V HN 0.550 nan 8.190 nan 0.000 0.448 368 P HA 0.374 nan 4.420 nan 0.000 0.290 368 P C -1.240 176.062 177.300 0.004 0.000 1.276 368 P CA -0.285 62.900 63.100 0.142 0.000 0.808 368 P CB 1.412 33.349 31.700 0.395 0.000 0.966 369 Y N 0.843 121.187 120.300 0.073 0.000 2.458 369 Y HA 0.510 5.061 4.550 0.001 0.000 0.322 369 Y C 1.858 177.790 175.900 0.054 0.000 1.259 369 Y CA 0.277 58.421 58.100 0.073 0.000 1.302 369 Y CB 1.051 39.580 38.460 0.114 0.000 1.314 369 Y HN 0.482 nan 8.280 nan 0.000 0.509 370 G N -0.051 108.824 108.800 0.126 0.000 3.774 370 G HA2 0.025 3.986 3.960 0.001 0.000 0.287 370 G HA3 0.025 3.986 3.960 0.001 0.000 0.287 370 G C -0.763 174.095 174.900 -0.070 0.000 1.030 370 G CA -0.124 44.989 45.100 0.022 0.000 0.824 370 G HN 0.492 nan 8.290 nan 0.000 0.518 371 D N 1.225 121.574 120.400 -0.085 0.000 2.232 371 D HA 0.237 4.878 4.640 0.001 0.000 0.242 371 D C -1.368 174.796 176.300 -0.225 0.000 1.093 371 D CA -1.833 51.919 54.000 -0.413 0.000 0.845 371 D CB 2.938 43.498 40.800 -0.399 0.000 1.124 371 D HN 0.022 nan 8.370 nan 0.000 0.467 372 P HA -0.012 nan 4.420 nan 0.000 0.233 372 P C -0.108 177.219 177.300 0.046 0.000 1.167 372 P CA 0.069 63.097 63.100 -0.120 0.000 0.770 372 P CB 0.615 32.194 31.700 -0.202 0.000 0.837 373 D N 0.670 121.105 120.400 0.058 0.000 2.362 373 D HA -0.023 4.618 4.640 0.001 0.000 0.238 373 D C 1.980 178.512 176.300 0.388 0.000 1.212 373 D CA -0.116 54.002 54.000 0.197 0.000 0.902 373 D CB 0.700 41.616 40.800 0.193 0.000 1.180 373 D HN 0.090 nan 8.370 nan 0.000 0.445 374 I N -1.970 118.801 120.570 0.336 0.000 2.315 374 I HA -0.158 4.013 4.170 0.001 0.000 0.251 374 I C 1.534 177.846 176.117 0.324 0.000 1.125 374 I CA 1.788 63.318 61.300 0.383 0.000 1.392 374 I CB -0.461 37.665 38.000 0.209 0.000 1.065 374 I HN 0.277 nan 8.210 nan 0.000 0.424 375 G N -0.985 107.960 108.800 0.242 0.000 3.141 375 G HA2 0.141 4.101 3.960 0.001 0.000 0.218 375 G HA3 0.141 4.101 3.960 0.001 0.000 0.218 375 G C 0.484 175.041 174.900 -0.573 0.000 1.170 375 G CA -0.160 44.918 45.100 -0.036 0.000 0.769 375 G HN 0.639 nan 8.290 nan 0.000 0.546 376 W N -1.645 119.551 121.300 -0.174 0.000 2.926 376 W HA 0.185 4.846 4.660 0.001 0.000 0.221 376 W C 1.920 178.181 176.519 -0.431 0.000 1.030 376 W CA -0.365 56.727 57.345 -0.422 0.000 1.330 376 W CB -0.395 28.933 29.460 -0.220 0.000 0.787 376 W HN 0.186 nan 8.180 nan 0.000 0.736 377 Y N 1.117 121.436 120.300 0.033 0.000 2.241 377 Y HA -0.274 4.277 4.550 0.001 0.000 0.286 377 Y C 1.734 177.707 175.900 0.121 0.000 1.166 377 Y CA 1.560 59.696 58.100 0.061 0.000 1.203 377 Y CB -1.762 36.714 38.460 0.027 0.000 0.977 377 Y HN 0.059 nan 8.280 nan 0.000 0.529 378 F N 0.323 120.024 119.950 -0.415 0.000 2.754 378 F HA 0.336 4.864 4.527 0.001 0.000 0.297 378 F C 1.011 176.802 175.800 -0.015 0.000 1.122 378 F CA -1.039 56.911 58.000 -0.083 0.000 1.400 378 F CB -0.658 38.129 39.000 -0.355 0.000 1.117 378 F HN -0.166 nan 8.300 nan 0.000 0.587 379 K N 2.176 122.045 120.400 -0.886 0.000 2.315 379 K HA 0.420 4.741 4.320 0.001 0.000 0.281 379 K C -0.615 175.752 176.600 -0.389 0.000 1.086 379 K CA 0.374 56.191 56.287 -0.783 0.000 1.042 379 K CB -0.335 31.608 32.500 -0.929 0.000 0.949 379 K HN 0.377 nan 8.250 nan 0.000 0.450 380 A N 5.639 128.216 122.820 -0.405 0.000 3.158 380 A HA 0.214 4.534 4.320 0.001 0.000 0.302 380 A C -1.535 176.006 177.584 -0.071 0.000 1.162 380 A CA -0.746 51.206 52.037 -0.140 0.000 0.824 380 A CB 0.123 19.137 19.000 0.022 0.000 1.322 380 A HN 0.574 nan 8.150 nan 0.000 0.510 381 Y N 0.383 120.804 120.300 0.201 0.000 2.511 381 Y HA 0.386 4.936 4.550 0.001 0.000 0.332 381 Y C 0.365 176.379 175.900 0.190 0.000 1.177 381 Y CA -0.511 57.714 58.100 0.207 0.000 1.422 381 Y CB 0.455 39.025 38.460 0.183 0.000 1.271 381 Y HN 0.389 nan 8.280 nan 0.000 0.550 382 L N 4.213 125.673 121.223 0.395 0.000 2.581 382 L HA 0.272 4.612 4.340 0.001 0.000 0.241 382 L C 0.854 177.907 176.870 0.305 0.000 1.265 382 L CA -0.275 54.727 54.840 0.270 0.000 0.954 382 L CB 0.260 42.432 42.059 0.188 0.000 1.269 382 L HN 0.636 nan 8.230 nan 0.000 0.475 383 D N 0.279 120.856 120.400 0.296 0.000 2.192 383 D HA -0.279 4.361 4.640 0.001 0.000 0.189 383 D C 1.905 178.379 176.300 0.291 0.000 1.007 383 D CA 2.248 56.422 54.000 0.291 0.000 0.859 383 D CB 0.180 41.102 40.800 0.203 0.000 0.936 383 D HN 0.585 nan 8.370 nan 0.000 0.447 384 S N 0.280 116.095 115.700 0.192 0.000 2.357 384 S HA -0.034 4.436 4.470 0.001 0.000 0.221 384 S C 2.295 176.932 174.600 0.060 0.000 1.031 384 S CA 1.298 59.586 58.200 0.147 0.000 0.982 384 S CB -0.871 62.393 63.200 0.108 0.000 0.853 384 S HN 0.297 nan 8.310 nan 0.000 0.458 385 G N 1.843 110.647 108.800 0.007 0.000 2.433 385 G HA2 -0.155 3.806 3.960 0.001 0.000 0.216 385 G HA3 -0.155 3.806 3.960 0.001 0.000 0.216 385 G C 1.098 175.969 174.900 -0.049 0.000 1.186 385 G CA 1.123 46.163 45.100 -0.100 0.000 0.779 385 G HN 0.537 nan 8.290 nan 0.000 0.543 386 D N -1.256 119.167 120.400 0.038 0.000 2.354 386 D HA 0.104 4.745 4.640 0.001 0.000 0.209 386 D C 1.011 177.128 176.300 -0.306 0.000 1.015 386 D CA 0.442 54.376 54.000 -0.110 0.000 0.867 386 D CB 0.269 40.997 40.800 -0.120 0.000 0.933 386 D HN 0.485 nan 8.370 nan 0.000 0.520 387 Y N -0.345 120.012 120.300 0.096 0.000 2.448 387 Y HA 0.317 4.868 4.550 0.001 0.000 0.257 387 Y C 1.083 177.056 175.900 0.122 0.000 1.089 387 Y CA -0.098 58.085 58.100 0.138 0.000 1.245 387 Y CB 0.973 39.538 38.460 0.175 0.000 1.282 387 Y HN -0.113 nan 8.280 nan 0.000 0.529 388 G N 1.667 110.594 108.800 0.212 0.000 2.694 388 G HA2 -0.264 3.696 3.960 0.001 0.000 0.247 388 G HA3 -0.264 3.696 3.960 0.001 0.000 0.247 388 G C 0.479 175.515 174.900 0.227 0.000 0.989 388 G CA 0.293 45.493 45.100 0.167 0.000 1.252 388 G HN 0.299 nan 8.290 nan 0.000 0.483 389 M N 1.110 120.872 119.600 0.269 0.000 2.229 389 M HA 0.011 4.492 4.480 0.001 0.000 0.264 389 M C 2.759 179.360 176.300 0.502 0.000 1.063 389 M CA 2.029 57.550 55.300 0.369 0.000 1.114 389 M CB -0.150 32.719 32.600 0.449 0.000 1.387 389 M HN 0.629 nan 8.290 nan 0.000 0.420 390 G N 0.094 109.131 108.800 0.394 0.000 2.421 390 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 390 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 390 G C 1.461 176.522 174.900 0.269 0.000 1.171 390 G CA 1.506 46.798 45.100 0.319 0.000 0.775 390 G HN 0.362 nan 8.290 nan 0.000 0.543 391 T N 1.293 115.965 114.554 0.196 0.000 2.759 391 T HA -0.018 4.333 4.350 0.001 0.000 0.269 391 T C 1.933 176.723 174.700 0.150 0.000 1.042 391 T CA 0.651 62.843 62.100 0.152 0.000 1.140 391 T CB -0.149 68.797 68.868 0.130 0.000 0.864 391 T HN 0.132 nan 8.240 nan 0.000 0.455 392 L N 1.712 123.040 121.223 0.175 0.000 2.688 392 L HA 0.154 4.495 4.340 0.001 0.000 0.234 392 L C 0.482 177.428 176.870 0.127 0.000 1.192 392 L CA -0.274 54.644 54.840 0.130 0.000 0.984 392 L CB -0.722 41.414 42.059 0.128 0.000 1.232 392 L HN 0.090 nan 8.230 nan 0.000 0.465 393 T N 0.220 114.895 114.554 0.203 0.000 2.934 393 T HA 0.008 4.358 4.350 0.001 0.000 0.306 393 T C 0.655 175.406 174.700 0.085 0.000 1.042 393 T CA 0.349 62.570 62.100 0.201 0.000 1.145 393 T CB 0.626 69.734 68.868 0.400 0.000 0.982 393 T HN 0.146 nan 8.240 nan 0.000 0.544 394 S N 5.432 121.133 115.700 0.003 0.000 2.422 394 S HA 0.347 4.818 4.470 0.001 0.000 0.308 394 S C -2.216 172.398 174.600 0.024 0.000 1.097 394 S CA -1.202 56.998 58.200 -0.001 0.000 1.099 394 S CB 0.954 64.124 63.200 -0.049 0.000 0.976 394 S HN 0.461 nan 8.310 nan 0.000 0.471 395 P HA 0.049 nan 4.420 nan 0.000 0.264 395 P C -0.290 177.030 177.300 0.034 0.000 1.183 395 P CA -0.189 62.939 63.100 0.047 0.000 0.763 395 P CB 0.249 31.969 31.700 0.034 0.000 0.807 396 I N 2.245 122.845 120.570 0.051 0.000 2.683 396 I HA 0.014 4.185 4.170 0.001 0.000 0.286 396 I C 0.965 177.092 176.117 0.018 0.000 1.175 396 I CA -0.137 61.189 61.300 0.043 0.000 1.429 396 I CB -0.330 37.713 38.000 0.071 0.000 1.371 396 I HN 0.362 nan 8.210 nan 0.000 0.569 397 A N 7.850 130.674 122.820 0.005 0.000 2.415 397 A HA 0.216 4.537 4.320 0.001 0.000 0.309 397 A C 0.782 178.360 177.584 -0.010 0.000 1.356 397 A CA -0.538 51.496 52.037 -0.005 0.000 0.998 397 A CB -0.142 18.853 19.000 -0.008 0.000 1.145 397 A HN 0.761 nan 8.150 nan 0.000 0.545 398 R N 2.025 122.517 120.500 -0.013 0.000 2.485 398 R HA 0.172 4.512 4.340 0.001 0.000 0.304 398 R C 1.468 177.754 176.300 -0.022 0.000 0.934 398 R CA 1.762 57.851 56.100 -0.018 0.000 1.102 398 R CB -0.078 30.208 30.300 -0.024 0.000 0.906 398 R HN 1.551 nan 8.270 nan 0.000 0.407 399 G N 3.312 112.090 108.800 -0.035 0.000 2.267 399 G HA2 -0.353 3.607 3.960 0.001 0.000 0.257 399 G HA3 -0.353 3.607 3.960 0.001 0.000 0.257 399 G C 0.744 175.617 174.900 -0.045 0.000 0.998 399 G CA 0.710 45.786 45.100 -0.040 0.000 0.620 399 G HN 0.635 nan 8.290 nan 0.000 0.529 400 K N -0.625 119.753 120.400 -0.037 0.000 2.266 400 K HA 0.161 4.482 4.320 0.001 0.000 0.209 400 K C 1.427 178.009 176.600 -0.030 0.000 1.065 400 K CA 0.462 56.731 56.287 -0.030 0.000 0.946 400 K CB 0.045 32.534 32.500 -0.018 0.000 1.069 400 K HN 0.101 nan 8.250 nan 0.000 0.472 401 D N 0.804 121.191 120.400 -0.022 0.000 2.312 401 D HA 0.027 4.667 4.640 0.001 0.000 0.211 401 D C 0.067 176.360 176.300 -0.012 0.000 0.964 401 D CA 0.562 54.560 54.000 -0.003 0.000 0.877 401 D CB 0.447 41.252 40.800 0.007 0.000 0.924 401 D HN 0.182 nan 8.370 nan 0.000 0.515 402 A N 0.563 123.331 122.820 -0.086 0.000 2.572 402 A HA 0.538 4.858 4.320 0.001 0.000 0.295 402 A C -2.681 174.705 177.584 -0.329 0.000 1.072 402 A CA -1.322 50.561 52.037 -0.258 0.000 0.691 402 A CB 1.711 20.607 19.000 -0.174 0.000 1.291 402 A HN -0.231 nan 8.150 nan 0.000 0.404 403 P HA 0.031 nan 4.420 nan 0.000 0.268 403 P C 0.961 178.142 177.300 -0.198 0.000 1.208 403 P CA 0.591 63.480 63.100 -0.351 0.000 0.777 403 P CB 0.766 32.205 31.700 -0.435 0.000 0.875 404 S N 0.684 116.332 115.700 -0.087 0.000 2.465 404 S HA -0.173 4.297 4.470 0.001 0.000 0.241 404 S C 1.202 175.820 174.600 0.029 0.000 1.000 404 S CA 1.023 59.214 58.200 -0.015 0.000 0.964 404 S CB -1.077 62.132 63.200 0.016 0.000 0.763 404 S HN 0.664 nan 8.310 nan 0.000 0.512 405 N N 1.809 120.525 118.700 0.027 0.000 2.276 405 N HA 0.318 5.058 4.740 0.001 0.000 0.212 405 N C 0.130 175.732 175.510 0.153 0.000 1.127 405 N CA 0.212 53.323 53.050 0.102 0.000 0.834 405 N CB -0.029 38.527 38.487 0.115 0.000 1.014 405 N HN 0.486 nan 8.380 nan 0.000 0.491 406 A N 0.251 123.129 122.820 0.096 0.000 2.287 406 A HA 0.578 4.899 4.320 0.001 0.000 0.273 406 A C -0.228 177.481 177.584 0.208 0.000 1.091 406 A CA -0.473 51.675 52.037 0.185 0.000 0.817 406 A CB 0.980 20.019 19.000 0.065 0.000 1.069 406 A HN 0.069 nan 8.150 nan 0.000 0.492 407 V N 1.586 121.654 119.914 0.257 0.000 2.495 407 V HA 0.376 4.497 4.120 0.001 0.000 0.298 407 V C -0.404 175.819 176.094 0.215 0.000 1.031 407 V CA -0.277 62.177 62.300 0.258 0.000 0.871 407 V CB 1.300 33.318 31.823 0.324 0.000 0.988 407 V HN 0.686 nan 8.190 nan 0.000 0.432 408 L N 5.935 127.267 121.223 0.183 0.000 2.296 408 L HA 0.597 4.937 4.340 0.001 0.000 0.286 408 L C -0.628 176.329 176.870 0.144 0.000 1.023 408 L CA -0.443 54.481 54.840 0.140 0.000 0.812 408 L CB 1.481 43.587 42.059 0.078 0.000 1.223 408 L HN 0.395 nan 8.230 nan 0.000 0.421 409 L N 3.236 124.543 121.223 0.139 0.000 2.322 409 L HA 0.477 4.817 4.340 0.001 0.000 0.279 409 L C -0.166 176.742 176.870 0.063 0.000 1.036 409 L CA -0.743 54.168 54.840 0.118 0.000 0.807 409 L CB 1.282 43.414 42.059 0.122 0.000 1.226 409 L HN 0.574 nan 8.230 nan 0.000 0.433 410 N N 1.895 120.609 118.700 0.023 0.000 2.487 410 N HA 0.400 5.140 4.740 0.001 0.000 0.292 410 N C -0.716 174.801 175.510 0.011 0.000 1.108 410 N CA -0.522 52.535 53.050 0.012 0.000 0.956 410 N CB 1.861 40.338 38.487 -0.017 0.000 1.176 410 N HN 0.487 nan 8.380 nan 0.000 0.484 411 E N 0.435 120.646 120.200 0.018 0.000 2.317 411 E HA 0.427 4.778 4.350 0.001 0.000 0.270 411 E C -0.785 175.818 176.600 0.006 0.000 0.885 411 E CA -0.557 55.845 56.400 0.004 0.000 0.760 411 E CB 2.129 31.831 29.700 0.004 0.000 1.227 411 E HN 0.327 nan 8.360 nan 0.000 0.434 412 T N 2.689 117.238 114.554 -0.007 0.000 2.807 412 T HA 0.710 5.061 4.350 0.001 0.000 0.279 412 T C 0.280 174.975 174.700 -0.009 0.000 0.993 412 T CA -0.558 61.539 62.100 -0.006 0.000 0.970 412 T CB 0.511 69.370 68.868 -0.014 0.000 0.950 412 T HN 0.455 nan 8.240 nan 0.000 0.441 413 I N -0.508 120.062 120.570 -0.000 0.000 3.343 413 I HA 0.984 5.155 4.170 0.001 0.000 0.315 413 I C -0.884 175.230 176.117 -0.005 0.000 1.153 413 I CA -1.824 59.476 61.300 0.000 0.000 0.952 413 I CB 1.797 39.810 38.000 0.021 0.000 1.287 413 I HN 0.616 nan 8.210 nan 0.000 0.472 414 A N 1.738 124.554 122.820 -0.008 0.000 2.306 414 A HA 0.615 4.935 4.320 0.001 0.000 0.314 414 A C -0.752 176.842 177.584 0.017 0.000 1.164 414 A CA -0.423 51.597 52.037 -0.029 0.000 0.822 414 A CB 0.480 19.434 19.000 -0.076 0.000 1.130 414 A HN 0.855 nan 8.150 nan 0.000 0.496 415 D N 0.087 120.490 120.400 0.005 0.000 2.451 415 D HA 0.142 4.783 4.640 0.001 0.000 0.259 415 D C 0.749 177.113 176.300 0.107 0.000 1.201 415 D CA -0.020 54.022 54.000 0.070 0.000 1.028 415 D CB -0.081 40.736 40.800 0.028 0.000 1.095 415 D HN 0.623 nan 8.370 nan 0.000 0.539 416 Y N -2.320 118.044 120.300 0.107 0.000 2.569 416 Y HA -0.011 4.540 4.550 0.001 0.000 0.293 416 Y C 1.668 177.738 175.900 0.284 0.000 1.144 416 Y CA 1.093 59.296 58.100 0.172 0.000 1.321 416 Y CB -1.315 37.212 38.460 0.113 0.000 0.982 416 Y HN 0.362 nan 8.280 nan 0.000 0.558 417 T N -3.673 110.672 114.554 -0.348 0.000 3.122 417 T HA 0.462 4.812 4.350 0.001 0.000 0.250 417 T C 1.566 176.299 174.700 0.056 0.000 1.067 417 T CA 0.187 62.216 62.100 -0.118 0.000 0.966 417 T CB -0.370 68.297 68.868 -0.336 0.000 1.002 417 T HN 0.860 nan 8.240 nan 0.000 0.542 418 G N 0.676 109.419 108.800 -0.096 0.000 2.143 418 G HA2 -0.219 3.741 3.960 0.001 0.000 0.249 418 G HA3 -0.219 3.741 3.960 0.001 0.000 0.249 418 G C -0.020 174.706 174.900 -0.289 0.000 0.981 418 G CA -0.036 44.767 45.100 -0.496 0.000 0.665 418 G HN 0.697 nan 8.290 nan 0.000 0.528 419 V N 1.557 121.369 119.914 -0.169 0.000 2.439 419 V HA 0.438 4.559 4.120 0.001 0.000 0.282 419 V C -1.496 174.544 176.094 -0.090 0.000 1.039 419 V CA -1.664 60.564 62.300 -0.120 0.000 0.913 419 V CB 1.636 33.404 31.823 -0.092 0.000 0.983 419 V HN 0.079 nan 8.190 nan 0.000 0.460 420 P HA 0.093 nan 4.420 nan 0.000 0.265 420 P C -0.569 176.712 177.300 -0.032 0.000 1.187 420 P CA 0.295 63.363 63.100 -0.053 0.000 0.766 420 P CB 0.313 31.984 31.700 -0.049 0.000 0.820 421 M N 2.455 122.045 119.600 -0.016 0.000 2.151 421 M HA 0.272 4.753 4.480 0.001 0.000 0.290 421 M C -0.829 175.475 176.300 0.007 0.000 0.965 421 M CA -0.517 54.784 55.300 0.001 0.000 0.930 421 M CB 1.527 34.138 32.600 0.017 0.000 1.560 421 M HN 0.205 nan 8.290 nan 0.000 0.438 422 E N 5.684 125.888 120.200 0.007 0.000 2.115 422 E HA 0.385 4.735 4.350 0.001 0.000 0.282 422 E C -1.320 175.292 176.600 0.021 0.000 0.987 422 E CA -0.495 55.910 56.400 0.009 0.000 0.797 422 E CB 0.989 30.689 29.700 -0.001 0.000 1.086 422 E HN 0.747 nan 8.360 nan 0.000 0.397 423 I N 8.051 128.641 120.570 0.033 0.000 2.301 423 I HA 0.225 4.395 4.170 0.001 0.000 0.292 423 I C -1.904 174.239 176.117 0.043 0.000 1.046 423 I CA -2.092 59.239 61.300 0.051 0.000 1.282 423 I CB 0.911 38.962 38.000 0.085 0.000 1.409 423 I HN 0.357 nan 8.210 nan 0.000 0.484 424 P HA 0.099 nan 4.420 nan 0.000 0.276 424 P C -0.508 176.812 177.300 0.034 0.000 1.230 424 P CA -0.251 62.859 63.100 0.017 0.000 0.776 424 P CB 0.657 32.358 31.700 0.002 0.000 0.888 425 R N 1.271 121.790 120.500 0.031 0.000 3.322 425 R HA -0.219 4.121 4.340 0.001 0.000 0.253 425 R C 1.115 177.475 176.300 0.100 0.000 0.987 425 R CA 0.451 56.583 56.100 0.054 0.000 0.666 425 R CB -2.438 27.882 30.300 0.033 0.000 1.072 425 R HN 0.621 nan 8.270 nan 0.000 0.447 426 A N 0.210 123.101 122.820 0.119 0.000 1.968 426 A HA 0.121 4.442 4.320 0.001 0.000 0.217 426 A C 1.010 178.759 177.584 0.275 0.000 1.169 426 A CA 0.883 53.034 52.037 0.192 0.000 0.638 426 A CB 0.340 19.436 19.000 0.161 0.000 0.812 426 A HN 0.377 nan 8.150 nan 0.000 0.446 427 I N -1.421 119.271 120.570 0.203 0.000 2.686 427 I HA 0.542 4.712 4.170 0.001 0.000 0.295 427 I C -0.384 175.848 176.117 0.192 0.000 1.114 427 I CA -0.779 60.658 61.300 0.228 0.000 1.038 427 I CB 2.260 40.349 38.000 0.150 0.000 1.238 427 I HN 0.093 nan 8.210 nan 0.000 0.420 428 A N 5.426 128.386 122.820 0.233 0.000 2.317 428 A HA 0.853 5.173 4.320 0.001 0.000 0.327 428 A C -0.926 176.797 177.584 0.233 0.000 1.178 428 A CA -0.520 51.668 52.037 0.251 0.000 0.817 428 A CB 1.414 20.601 19.000 0.312 0.000 1.189 428 A HN 0.421 nan 8.150 nan 0.000 0.489 429 V N 2.992 123.013 119.914 0.178 0.000 2.531 429 V HA 0.731 4.852 4.120 0.001 0.000 0.301 429 V C -1.040 175.094 176.094 0.066 0.000 1.034 429 V CA -0.288 61.978 62.300 -0.057 0.000 0.865 429 V CB 0.716 32.375 31.823 -0.274 0.000 0.995 429 V HN 0.918 nan 8.190 nan 0.000 0.424 430 F N 1.196 121.032 119.950 -0.190 0.000 2.665 430 F HA 0.708 5.236 4.527 0.001 0.000 0.308 430 F C -0.785 174.936 175.800 -0.131 0.000 1.112 430 F CA -1.067 56.888 58.000 -0.075 0.000 0.972 430 F CB 1.502 40.509 39.000 0.012 0.000 1.295 430 F HN 0.477 nan 8.300 nan 0.000 0.440 431 E N 2.598 122.884 120.200 0.143 0.000 2.277 431 E HA 0.660 5.010 4.350 0.001 0.000 0.274 431 E C -0.999 175.713 176.600 0.187 0.000 1.022 431 E CA -0.902 55.514 56.400 0.027 0.000 0.853 431 E CB 1.339 31.158 29.700 0.198 0.000 1.086 431 E HN 0.859 nan 8.360 nan 0.000 0.397 432 R N 2.750 123.319 120.500 0.115 0.000 2.668 432 R HA 0.226 4.567 4.340 0.001 0.000 0.272 432 R C -1.468 174.913 176.300 0.134 0.000 1.019 432 R CA -0.963 55.242 56.100 0.175 0.000 0.894 432 R CB 0.532 30.955 30.300 0.204 0.000 1.228 432 R HN 0.524 nan 8.270 nan 0.000 0.460 433 Y N 1.814 122.147 120.300 0.054 0.000 2.425 433 Y HA 0.392 4.942 4.550 0.001 0.000 0.331 433 Y C -0.346 175.553 175.900 -0.001 0.000 1.157 433 Y CA 0.389 58.506 58.100 0.029 0.000 1.372 433 Y CB 1.191 39.663 38.460 0.020 0.000 1.253 433 Y HN 0.838 nan 8.280 nan 0.000 0.536 434 A N 5.355 127.757 122.820 -0.697 0.000 2.992 434 A HA 0.608 4.929 4.320 0.001 0.000 0.263 434 A C 0.599 177.794 177.584 -0.648 0.000 0.928 434 A CA 0.100 51.826 52.037 -0.518 0.000 1.061 434 A CB -0.796 18.015 19.000 -0.316 0.000 1.173 434 A HN 1.781 nan 8.150 nan 0.000 0.482 435 G N 0.813 108.884 108.800 -1.215 0.000 2.741 435 G HA2 -0.119 3.841 3.960 0.001 0.000 0.222 435 G HA3 -0.119 3.841 3.960 0.001 0.000 0.222 435 G C -2.945 171.699 174.900 -0.426 0.000 1.364 435 G CA -0.358 44.385 45.100 -0.594 0.000 0.866 435 G HN 0.557 nan 8.290 nan 0.000 0.555 436 P HA 0.287 nan 4.420 nan 0.000 0.281 436 P C 0.442 177.674 177.300 -0.113 0.000 1.252 436 P CA 0.021 63.070 63.100 -0.086 0.000 0.778 436 P CB 1.812 33.507 31.700 -0.009 0.000 0.895 437 E N 4.255 124.352 120.200 -0.172 0.000 2.077 437 E HA -0.148 4.202 4.350 0.001 0.000 0.193 437 E C 0.013 176.600 176.600 -0.022 0.000 0.989 437 E CA 1.823 58.137 56.400 -0.143 0.000 0.800 437 E CB -0.403 29.139 29.700 -0.263 0.000 0.746 437 E HN 0.595 nan 8.360 nan 0.000 0.452 438 Y N -3.037 117.266 120.300 0.005 0.000 2.677 438 Y HA 0.638 5.188 4.550 0.001 0.000 0.334 438 Y C -1.139 174.777 175.900 0.027 0.000 1.196 438 Y CA -1.699 56.408 58.100 0.011 0.000 1.059 438 Y CB 0.644 39.106 38.460 0.003 0.000 1.315 438 Y HN -0.134 nan 8.280 nan 0.000 0.455 439 K N 1.308 121.908 120.400 0.334 0.000 2.562 439 K HA 0.548 4.868 4.320 0.001 0.000 0.267 439 K C -2.625 174.126 176.600 0.251 0.000 0.938 439 K CA -0.819 55.615 56.287 0.247 0.000 0.840 439 K CB 2.146 34.722 32.500 0.127 0.000 1.390 439 K HN 1.048 nan 8.250 nan 0.000 0.428 440 H N 1.956 121.082 119.070 0.094 0.000 3.149 440 H HA 0.225 4.781 4.556 0.001 0.000 0.334 440 H C -1.854 173.496 175.328 0.037 0.000 1.000 440 H CA -0.334 55.742 56.048 0.046 0.000 1.415 440 H CB 1.689 31.462 29.762 0.019 0.000 1.819 440 H HN 0.525 nan 8.280 nan 0.000 0.486 441 Q N 3.634 123.154 119.800 -0.467 0.000 2.509 441 Q HA 0.248 4.588 4.340 0.001 0.000 0.236 441 Q C -0.767 174.898 176.000 -0.558 0.000 1.073 441 Q CA -0.713 54.870 55.803 -0.368 0.000 0.867 441 Q CB 0.566 29.209 28.738 -0.158 0.000 1.181 441 Q HN 0.591 nan 8.270 nan 0.000 0.526 442 E N 3.196 123.035 120.200 -0.603 0.000 2.376 442 E HA 0.054 4.405 4.350 0.001 0.000 0.266 442 E C -0.536 175.981 176.600 -0.140 0.000 1.009 442 E CA -0.068 56.143 56.400 -0.316 0.000 0.902 442 E CB 0.486 30.137 29.700 -0.082 0.000 0.972 442 E HN 0.784 nan 8.360 nan 0.000 0.439 443 M N 4.425 123.983 119.600 -0.070 0.000 2.260 443 M HA 0.106 4.587 4.480 0.001 0.000 0.348 443 M C 0.960 177.242 176.300 -0.029 0.000 1.342 443 M CA 1.745 57.020 55.300 -0.041 0.000 1.040 443 M CB -0.113 32.477 32.600 -0.015 0.000 1.810 443 M HN 0.815 nan 8.290 nan 0.000 0.453 444 G N 2.664 111.447 108.800 -0.028 0.000 2.175 444 G HA2 -0.208 3.752 3.960 0.001 0.000 0.265 444 G HA3 -0.208 3.752 3.960 0.001 0.000 0.265 444 G C -0.205 174.683 174.900 -0.020 0.000 0.979 444 G CA 0.270 45.358 45.100 -0.020 0.000 0.663 444 G HN 0.671 nan 8.290 nan 0.000 0.533 445 Q N -0.507 119.274 119.800 -0.031 0.000 2.416 445 Q HA 0.544 4.884 4.340 0.001 0.000 0.279 445 Q C -2.617 173.364 176.000 -0.032 0.000 1.101 445 Q CA -1.940 53.847 55.803 -0.027 0.000 0.830 445 Q CB 1.201 29.924 28.738 -0.025 0.000 1.402 445 Q HN 0.137 nan 8.270 nan 0.000 0.445 446 P HA 0.012 nan 4.420 nan 0.000 0.268 446 P C -0.088 177.198 177.300 -0.023 0.000 1.205 446 P CA -0.092 62.999 63.100 -0.016 0.000 0.771 446 P CB 0.534 32.231 31.700 -0.005 0.000 0.858 447 N N 1.709 120.395 118.700 -0.023 0.000 2.415 447 N HA 0.104 4.844 4.740 0.001 0.000 0.248 447 N C -1.234 174.281 175.510 0.009 0.000 1.271 447 N CA 0.063 53.099 53.050 -0.025 0.000 0.913 447 N CB 0.483 38.959 38.487 -0.018 0.000 1.129 447 N HN 0.024 nan 8.380 nan 0.000 0.444 448 V N 1.532 121.465 119.914 0.032 0.000 2.482 448 V HA 0.368 4.488 4.120 0.001 0.000 0.295 448 V C -0.781 175.387 176.094 0.123 0.000 1.026 448 V CA -0.585 61.770 62.300 0.092 0.000 0.856 448 V CB 1.307 33.212 31.823 0.138 0.000 1.001 448 V HN 0.678 nan 8.190 nan 0.000 0.424 449 S N 2.489 118.238 115.700 0.082 0.000 2.541 449 S HA 0.863 5.333 4.470 0.001 0.000 0.271 449 S C -0.413 174.146 174.600 -0.069 0.000 1.133 449 S CA -0.739 57.479 58.200 0.029 0.000 0.876 449 S CB 2.469 65.683 63.200 0.022 0.000 1.105 449 S HN 0.944 nan 8.310 nan 0.000 0.470 450 T N -0.826 113.591 114.554 -0.229 0.000 2.912 450 T HA 0.631 4.981 4.350 0.001 0.000 0.299 450 T C -0.901 173.675 174.700 -0.207 0.000 1.052 450 T CA -1.065 60.869 62.100 -0.276 0.000 0.996 450 T CB 1.368 69.906 68.868 -0.551 0.000 1.070 450 T HN 0.668 nan 8.240 nan 0.000 0.465 451 E N 2.112 122.265 120.200 -0.079 0.000 2.349 451 E HA 0.408 4.759 4.350 0.001 0.000 0.265 451 E C -0.181 176.367 176.600 -0.085 0.000 1.064 451 E CA -1.126 55.273 56.400 -0.002 0.000 0.886 451 E CB 1.392 31.221 29.700 0.215 0.000 1.036 451 E HN 0.707 nan 8.360 nan 0.000 0.413 452 R N 1.431 121.830 120.500 -0.169 0.000 2.368 452 R HA 0.287 4.628 4.340 0.001 0.000 0.302 452 R C -0.756 175.488 176.300 -0.092 0.000 1.002 452 R CA -0.701 55.317 56.100 -0.136 0.000 0.929 452 R CB 0.850 31.045 30.300 -0.175 0.000 1.073 452 R HN 0.475 nan 8.270 nan 0.000 0.464 453 R N 2.790 123.325 120.500 0.057 0.000 2.621 453 R HA 0.343 4.684 4.340 0.001 0.000 0.292 453 R C -1.029 175.420 176.300 0.249 0.000 0.969 453 R CA -0.715 55.494 56.100 0.181 0.000 0.887 453 R CB 2.061 32.574 30.300 0.355 0.000 1.180 453 R HN 0.760 nan 8.270 nan 0.000 0.450 454 E N 1.783 122.016 120.200 0.055 0.000 2.266 454 E HA 0.363 4.714 4.350 0.001 0.000 0.268 454 E C -0.904 175.450 176.600 -0.410 0.000 0.879 454 E CA -1.141 55.179 56.400 -0.133 0.000 0.762 454 E CB 2.701 32.205 29.700 -0.326 0.000 1.199 454 E HN 0.086 nan 8.360 nan 0.000 0.422 455 L N 2.986 123.773 121.223 -0.728 0.000 2.272 455 L HA 0.361 4.701 4.340 0.001 0.000 0.289 455 L C -1.299 175.225 176.870 -0.576 0.000 1.032 455 L CA -0.587 53.669 54.840 -0.975 0.000 0.810 455 L CB 1.367 42.506 42.059 -1.532 0.000 1.205 455 L HN 0.322 nan 8.230 nan 0.000 0.422 456 V N 5.702 125.164 119.914 -0.754 0.000 2.483 456 V HA 0.525 4.646 4.120 0.001 0.000 0.295 456 V C -0.418 175.355 176.094 -0.535 0.000 1.035 456 V CA -0.716 61.151 62.300 -0.722 0.000 0.896 456 V CB 1.879 32.945 31.823 -1.262 0.000 0.986 456 V HN 0.483 nan 8.190 nan 0.000 0.447 457 V N 5.507 125.336 119.914 -0.142 0.000 2.350 457 V HA 0.515 4.635 4.120 0.001 0.000 0.285 457 V C 0.015 176.239 176.094 0.218 0.000 1.014 457 V CA -0.578 61.753 62.300 0.052 0.000 0.831 457 V CB 1.383 33.308 31.823 0.170 0.000 1.000 457 V HN 0.879 nan 8.190 nan 0.000 0.433 458 R N 3.757 124.418 120.500 0.268 0.000 2.562 458 R HA 0.593 4.934 4.340 0.001 0.000 0.298 458 R C -1.905 174.681 176.300 0.476 0.000 0.961 458 R CA -0.611 55.731 56.100 0.403 0.000 0.881 458 R CB 1.867 32.431 30.300 0.440 0.000 1.159 458 R HN 0.659 nan 8.270 nan 0.000 0.450 459 W N 6.480 127.967 121.300 0.311 0.000 2.957 459 W HA 0.526 5.186 4.660 0.001 0.000 0.336 459 W C -1.968 174.742 176.519 0.318 0.000 1.087 459 W CA -0.730 56.779 57.345 0.275 0.000 1.235 459 W CB 1.092 30.709 29.460 0.262 0.000 1.399 459 W HN 0.423 nan 8.180 nan 0.000 0.480 460 I N 5.423 125.803 120.570 -0.318 0.000 2.465 460 I HA 0.434 4.605 4.170 0.001 0.000 0.291 460 I C -0.222 175.491 176.117 -0.673 0.000 1.014 460 I CA -0.922 60.131 61.300 -0.412 0.000 1.093 460 I CB 2.020 39.927 38.000 -0.155 0.000 1.267 460 I HN 0.368 nan 8.210 nan 0.000 0.431 461 S N 3.540 118.884 115.700 -0.593 0.000 2.557 461 S HA 0.614 5.084 4.470 0.001 0.000 0.291 461 S C -0.757 173.771 174.600 -0.119 0.000 1.116 461 S CA -0.330 57.650 58.200 -0.366 0.000 0.992 461 S CB 1.545 64.472 63.200 -0.456 0.000 1.028 461 S HN 0.578 nan 8.310 nan 0.000 0.484 462 T N 3.796 118.310 114.554 -0.067 0.000 2.786 462 T HA 0.490 4.841 4.350 0.001 0.000 0.283 462 T C -0.832 173.866 174.700 -0.003 0.000 0.992 462 T CA -0.469 61.588 62.100 -0.071 0.000 0.954 462 T CB 1.251 70.063 68.868 -0.092 0.000 0.934 462 T HN 0.451 nan 8.240 nan 0.000 0.440 463 V N 3.663 123.569 119.914 -0.012 0.000 2.276 463 V HA 0.649 4.769 4.120 0.001 0.000 0.268 463 V C 1.071 177.107 176.094 -0.097 0.000 1.032 463 V CA 0.166 62.454 62.300 -0.020 0.000 0.810 463 V CB -0.152 31.654 31.823 -0.027 0.000 1.060 463 V HN 1.262 nan 8.190 nan 0.000 0.446 464 G N 4.866 113.679 108.800 0.021 0.000 2.652 464 G HA2 -0.260 3.700 3.960 0.001 0.000 0.278 464 G HA3 -0.260 3.700 3.960 0.001 0.000 0.278 464 G C 0.222 175.073 174.900 -0.082 0.000 1.263 464 G CA 0.310 45.479 45.100 0.115 0.000 0.966 464 G HN 0.841 nan 8.290 nan 0.000 0.544 468 Y N 1.220 121.393 120.300 -0.213 0.000 2.360 468 Y HA 0.676 5.227 4.550 0.001 0.000 0.337 468 Y C 0.190 175.878 175.900 -0.353 0.000 1.039 468 Y CA -0.788 57.146 58.100 -0.276 0.000 1.109 468 Y CB 1.314 39.757 38.460 -0.029 0.000 1.201 468 Y HN 0.252 nan 8.280 nan 0.000 0.458 469 I N 4.061 124.393 120.570 -0.397 0.000 2.465 469 I HA 0.399 4.570 4.170 0.001 0.000 0.291 469 I C -1.327 174.560 176.117 -0.384 0.000 1.014 469 I CA -0.646 60.487 61.300 -0.279 0.000 1.093 469 I CB 1.325 39.145 38.000 -0.299 0.000 1.267 469 I HN 0.348 nan 8.210 nan 0.000 0.431 470 F N 3.350 123.424 119.950 0.205 0.000 2.507 470 F HA 0.461 4.989 4.527 0.001 0.000 0.325 470 F C -0.363 175.629 175.800 0.320 0.000 1.116 470 F CA -0.764 57.414 58.000 0.297 0.000 0.930 470 F CB 1.566 40.889 39.000 0.539 0.000 1.146 470 F HN 0.308 nan 8.300 nan 0.000 0.447 471 D N 2.132 122.693 120.400 0.268 0.000 2.375 471 D HA 0.259 4.899 4.640 0.001 0.000 0.247 471 D C -1.399 174.805 176.300 -0.159 0.000 1.061 471 D CA -0.255 53.835 54.000 0.149 0.000 0.834 471 D CB 1.425 42.267 40.800 0.071 0.000 1.247 471 D HN 0.343 nan 8.370 nan 0.000 0.489 472 W N 2.565 123.811 121.300 -0.091 0.000 2.294 472 W HA 0.483 5.143 4.660 0.001 0.000 0.314 472 W C -0.066 176.214 176.519 -0.398 0.000 1.044 472 W CA -0.594 56.577 57.345 -0.290 0.000 1.284 472 W CB 0.628 29.936 29.460 -0.254 0.000 1.231 472 W HN 0.131 nan 8.180 nan 0.000 0.419 473 I N 4.573 124.913 120.570 -0.384 0.000 2.328 473 I HA 0.281 4.452 4.170 0.001 0.000 0.287 473 I C -0.806 175.065 176.117 -0.409 0.000 1.012 473 I CA -0.861 60.246 61.300 -0.321 0.000 1.195 473 I CB 0.403 38.285 38.000 -0.197 0.000 1.350 473 I HN 0.101 nan 8.210 nan 0.000 0.464 474 F N 4.815 124.598 119.950 -0.277 0.000 2.371 474 F HA 0.346 4.873 4.527 0.001 0.000 0.363 474 F C 0.873 176.790 175.800 0.195 0.000 1.122 474 F CA -0.402 57.414 58.000 -0.307 0.000 1.129 474 F CB 0.133 38.645 39.000 -0.813 0.000 1.173 474 F HN 0.400 nan 8.300 nan 0.000 0.489 475 H N 2.231 121.505 119.070 0.339 0.000 2.582 475 H HA 0.047 4.603 4.556 0.001 0.000 0.345 475 H C 1.079 176.869 175.328 0.770 0.000 1.104 475 H CA -0.305 56.009 56.048 0.444 0.000 1.390 475 H CB 1.484 31.402 29.762 0.260 0.000 1.461 475 H HN 0.725 nan 8.280 nan 0.000 0.551 476 E N 2.841 123.464 120.200 0.706 0.000 2.209 476 E HA -0.207 4.144 4.350 0.001 0.000 0.196 476 E C 1.033 177.853 176.600 0.367 0.000 0.993 476 E CA 1.296 57.962 56.400 0.445 0.000 0.819 476 E CB 0.014 29.806 29.700 0.152 0.000 0.745 476 E HN 0.752 nan 8.360 nan 0.000 0.477 477 N N -1.454 117.457 118.700 0.352 0.000 2.434 477 N HA 0.024 4.764 4.740 0.001 0.000 0.196 477 N C 1.111 176.712 175.510 0.151 0.000 1.183 477 N CA 0.441 53.595 53.050 0.174 0.000 0.849 477 N CB 0.720 39.279 38.487 0.119 0.000 0.992 477 N HN 0.226 nan 8.380 nan 0.000 0.460 478 G N -0.129 108.945 108.800 0.456 0.000 2.232 478 G HA2 -0.257 3.703 3.960 0.001 0.000 0.226 478 G HA3 -0.257 3.703 3.960 0.001 0.000 0.226 478 G C 0.198 175.475 174.900 0.629 0.000 0.996 478 G CA 0.180 45.548 45.100 0.447 0.000 0.626 478 G HN 0.406 nan 8.290 nan 0.000 0.509 479 T N 1.342 116.115 114.554 0.366 0.000 2.918 479 T HA 0.583 4.933 4.350 0.001 0.000 0.302 479 T C 0.358 175.074 174.700 0.026 0.000 1.045 479 T CA 0.467 62.601 62.100 0.056 0.000 1.114 479 T CB 1.257 69.897 68.868 -0.381 0.000 0.965 479 T HN 0.333 nan 8.240 nan 0.000 0.540 480 I N 1.881 122.393 120.570 -0.098 0.000 2.447 480 I HA 0.516 4.686 4.170 0.001 0.000 0.287 480 I C 0.600 176.528 176.117 -0.315 0.000 1.023 480 I CA -0.755 60.379 61.300 -0.276 0.000 1.083 480 I CB 1.926 39.733 38.000 -0.321 0.000 1.245 480 I HN 0.690 nan 8.210 nan 0.000 0.434 481 G N 6.602 115.215 108.800 -0.310 0.000 2.432 481 G HA2 0.850 4.811 3.960 0.001 0.000 0.331 481 G HA3 0.850 4.811 3.960 0.001 0.000 0.331 481 G C -0.936 173.689 174.900 -0.459 0.000 1.170 481 G CA -0.493 44.441 45.100 -0.276 0.000 0.943 481 G HN 0.498 nan 8.290 nan 0.000 0.483 482 I N 1.584 121.841 120.570 -0.521 0.000 2.529 482 I HA 0.255 4.425 4.170 0.001 0.000 0.284 482 I C -1.423 174.376 176.117 -0.531 0.000 1.088 482 I CA -0.788 60.010 61.300 -0.837 0.000 1.062 482 I CB 2.186 39.342 38.000 -1.406 0.000 1.218 482 I HN 0.247 nan 8.210 nan 0.000 0.442 483 D N 5.038 125.242 120.400 -0.327 0.000 2.269 483 D HA 0.749 5.389 4.640 0.001 0.000 0.244 483 D C -0.521 175.747 176.300 -0.054 0.000 0.992 483 D CA -0.359 53.588 54.000 -0.089 0.000 0.894 483 D CB 2.577 43.430 40.800 0.089 0.000 1.248 483 D HN 0.543 nan 8.370 nan 0.000 0.468 484 A N 0.518 123.244 122.820 -0.157 0.000 2.343 484 A HA 0.735 5.056 4.320 0.001 0.000 0.308 484 A C -0.006 177.184 177.584 -0.657 0.000 1.092 484 A CA -0.651 51.016 52.037 -0.617 0.000 0.751 484 A CB 1.523 19.874 19.000 -1.082 0.000 1.203 484 A HN 0.486 nan 8.150 nan 0.000 0.452 485 G N 0.331 108.510 108.800 -1.034 0.000 2.448 485 G HA2 0.753 4.713 3.960 0.001 0.000 0.324 485 G HA3 0.753 4.713 3.960 0.001 0.000 0.324 485 G C -0.526 173.866 174.900 -0.847 0.000 1.203 485 G CA 0.009 44.221 45.100 -1.480 0.000 0.954 485 G HN 1.585 nan 8.290 nan 0.000 0.480 486 A N 0.852 123.256 122.820 -0.694 0.000 2.356 486 A HA 0.907 5.228 4.320 0.001 0.000 0.310 486 A C -0.162 177.128 177.584 -0.489 0.000 1.075 486 A CA -0.360 51.383 52.037 -0.491 0.000 0.746 486 A CB 2.146 20.926 19.000 -0.368 0.000 1.221 486 A HN 1.158 nan 8.150 nan 0.000 0.443 487 T N 0.320 114.586 114.554 -0.481 0.000 2.626 487 T HA 0.831 5.181 4.350 0.001 0.000 0.299 487 T C 0.275 174.738 174.700 -0.396 0.000 1.181 487 T CA 0.990 62.864 62.100 -0.375 0.000 1.053 487 T CB 0.865 69.528 68.868 -0.340 0.000 1.566 487 T HN 2.756 nan 8.240 nan 0.000 0.486 488 G N 0.501 109.078 108.800 -0.373 0.000 2.416 488 G HA2 0.077 4.037 3.960 0.001 0.000 0.203 488 G HA3 0.077 4.037 3.960 0.001 0.000 0.203 488 G C -1.566 173.058 174.900 -0.461 0.000 1.227 488 G CA -0.251 44.577 45.100 -0.454 0.000 1.041 488 G HN 0.872 nan 8.290 nan 0.000 0.546 489 I N 1.308 121.537 120.570 -0.570 0.000 2.404 489 I HA 0.450 4.621 4.170 0.001 0.000 0.293 489 I C 0.684 176.600 176.117 -0.334 0.000 0.992 489 I CA -0.806 60.181 61.300 -0.521 0.000 1.149 489 I CB 1.131 38.650 38.000 -0.801 0.000 1.315 489 I HN 0.654 nan 8.210 nan 0.000 0.446 490 E N 2.962 123.168 120.200 0.010 0.000 2.390 490 E HA 0.419 4.769 4.350 0.001 0.000 0.261 490 E C -0.200 176.501 176.600 0.168 0.000 1.076 490 E CA -0.446 56.033 56.400 0.132 0.000 0.905 490 E CB 1.300 31.157 29.700 0.262 0.000 0.984 490 E HN 0.716 nan 8.360 nan 0.000 0.427 491 A N 2.508 125.439 122.820 0.184 0.000 2.302 491 A HA 0.355 4.675 4.320 0.001 0.000 0.295 491 A C -0.050 177.808 177.584 0.458 0.000 1.235 491 A CA -0.568 51.666 52.037 0.328 0.000 0.876 491 A CB -0.109 19.043 19.000 0.254 0.000 1.133 491 A HN 0.357 nan 8.150 nan 0.000 0.533 492 V N 0.510 120.710 119.914 0.476 0.000 2.994 492 V HA 0.720 4.841 4.120 0.001 0.000 0.318 492 V C -0.207 176.176 176.094 0.481 0.000 1.085 492 V CA -1.087 61.386 62.300 0.289 0.000 0.998 492 V CB 1.661 33.449 31.823 -0.058 0.000 1.063 492 V HN 0.833 nan 8.190 nan 0.000 0.447 493 K N 1.651 122.164 120.400 0.187 0.000 2.274 493 K HA 0.650 4.970 4.320 0.001 0.000 0.262 493 K C 0.162 176.834 176.600 0.119 0.000 0.961 493 K CA -0.278 56.154 56.287 0.243 0.000 0.833 493 K CB 1.393 33.801 32.500 -0.153 0.000 1.102 493 K HN 1.211 nan 8.250 nan 0.000 0.436 494 G N 2.710 111.611 108.800 0.168 0.000 2.378 494 G HA2 0.404 4.364 3.960 0.001 0.000 0.255 494 G HA3 0.404 4.364 3.960 0.001 0.000 0.255 494 G C -0.377 174.566 174.900 0.072 0.000 1.270 494 G CA -0.347 44.818 45.100 0.107 0.000 0.876 494 G HN 0.490 nan 8.290 nan 0.000 0.521 495 V N 0.139 120.079 119.914 0.043 0.000 3.141 495 V HA 0.607 4.727 4.120 0.001 0.000 0.312 495 V C 0.739 176.853 176.094 0.034 0.000 1.157 495 V CA -1.150 61.167 62.300 0.029 0.000 1.041 495 V CB 2.055 33.878 31.823 0.000 0.000 1.071 495 V HN 0.638 nan 8.190 nan 0.000 0.441 496 K N 0.892 121.308 120.400 0.026 0.000 2.305 496 K HA 0.419 4.740 4.320 0.001 0.000 0.199 496 K C 0.967 177.583 176.600 0.026 0.000 1.047 496 K CA 0.979 57.282 56.287 0.027 0.000 0.976 496 K CB 0.189 32.702 32.500 0.020 0.000 0.765 496 K HN 0.921 nan 8.250 nan 0.000 0.474 497 A N 1.761 124.595 122.820 0.023 0.000 2.450 497 A HA 0.073 4.393 4.320 0.001 0.000 0.255 497 A C 0.536 178.154 177.584 0.057 0.000 1.096 497 A CA -0.002 52.054 52.037 0.030 0.000 0.778 497 A CB 0.426 19.438 19.000 0.019 0.000 1.031 497 A HN 0.152 nan 8.150 nan 0.000 0.494 498 K N 0.335 120.775 120.400 0.066 0.000 2.276 498 K HA 0.071 4.391 4.320 0.001 0.000 0.198 498 K C 0.635 177.378 176.600 0.238 0.000 1.052 498 K CA 1.384 57.743 56.287 0.120 0.000 0.984 498 K CB 0.237 32.700 32.500 -0.061 0.000 0.836 498 K HN 0.904 nan 8.250 nan 0.000 0.490 499 T N -3.113 111.532 114.554 0.152 0.000 2.865 499 T HA 0.265 4.616 4.350 0.001 0.000 0.294 499 T C 0.618 175.400 174.700 0.137 0.000 1.119 499 T CA -0.855 61.355 62.100 0.183 0.000 1.007 499 T CB 1.255 70.256 68.868 0.222 0.000 1.225 499 T HN -0.274 nan 8.240 nan 0.000 0.515 500 M N 0.464 120.137 119.600 0.123 0.000 2.700 500 M HA 0.039 4.520 4.480 0.001 0.000 0.249 500 M C 0.987 177.221 176.300 -0.109 0.000 1.082 500 M CA 1.113 56.401 55.300 -0.020 0.000 1.077 500 M CB -1.641 30.904 32.600 -0.091 0.000 1.477 500 M HN 0.716 nan 8.290 nan 0.000 0.529 501 H N -0.668 118.406 119.070 0.007 0.000 2.563 501 H HA 0.134 4.691 4.556 0.001 0.000 0.264 501 H C 0.102 175.429 175.328 -0.001 0.000 0.957 501 H CA -0.051 55.998 56.048 0.003 0.000 1.173 501 H CB 0.116 29.882 29.762 0.006 0.000 1.420 501 H HN 0.217 nan 8.280 nan 0.000 0.551 502 D N 0.812 121.270 120.400 0.096 0.000 2.339 502 D HA -0.020 4.621 4.640 0.001 0.000 0.245 502 D C 1.057 177.369 176.300 0.019 0.000 1.115 502 D CA 0.012 54.043 54.000 0.051 0.000 0.917 502 D CB 0.992 41.816 40.800 0.040 0.000 1.192 502 D HN 0.351 nan 8.370 nan 0.000 0.428 503 E N 0.060 120.268 120.200 0.013 0.000 2.114 503 E HA -0.209 4.141 4.350 0.001 0.000 0.199 503 E C 1.569 178.163 176.600 -0.009 0.000 1.008 503 E CA 1.708 58.108 56.400 0.000 0.000 0.810 503 E CB -0.013 29.688 29.700 0.002 0.000 0.739 503 E HN 0.564 nan 8.360 nan 0.000 0.456 504 T N -2.096 112.454 114.554 -0.006 0.000 3.129 504 T HA 0.347 4.698 4.350 0.001 0.000 0.251 504 T C 1.813 176.498 174.700 -0.026 0.000 1.117 504 T CA 0.375 62.467 62.100 -0.014 0.000 1.034 504 T CB 0.308 69.173 68.868 -0.005 0.000 0.968 504 T HN 0.165 nan 8.240 nan 0.000 0.526 505 A N 3.041 125.847 122.820 -0.024 0.000 1.881 505 A HA -0.226 4.095 4.320 0.001 0.000 0.219 505 A C 2.382 179.928 177.584 -0.063 0.000 1.215 505 A CA 2.052 54.066 52.037 -0.037 0.000 0.648 505 A CB -0.859 18.119 19.000 -0.037 0.000 0.832 505 A HN 0.400 nan 8.150 nan 0.000 0.455 506 K N -0.188 120.170 120.400 -0.069 0.000 2.020 506 K HA -0.213 4.108 4.320 0.001 0.000 0.212 506 K C 1.545 178.080 176.600 -0.109 0.000 1.050 506 K CA 2.231 58.465 56.287 -0.089 0.000 0.929 506 K CB -0.672 31.781 32.500 -0.078 0.000 0.714 506 K HN 0.552 nan 8.250 nan 0.000 0.443 507 D N 0.858 121.205 120.400 -0.088 0.000 2.144 507 D HA -0.123 4.518 4.640 0.001 0.000 0.200 507 D C 1.485 177.723 176.300 -0.103 0.000 0.978 507 D CA 0.873 54.814 54.000 -0.098 0.000 0.833 507 D CB -0.139 40.629 40.800 -0.052 0.000 0.961 507 D HN 0.286 nan 8.370 nan 0.000 0.470 508 D N 0.153 120.509 120.400 -0.073 0.000 2.219 508 D HA -0.089 4.551 4.640 0.001 0.000 0.205 508 D C 1.780 178.020 176.300 -0.100 0.000 0.970 508 D CA 1.095 55.057 54.000 -0.064 0.000 0.851 508 D CB -0.181 40.594 40.800 -0.042 0.000 0.943 508 D HN 0.305 nan 8.370 nan 0.000 0.488 509 T N -2.296 112.183 114.554 -0.126 0.000 3.186 509 T HA 0.179 4.529 4.350 0.001 0.000 0.257 509 T C 1.438 176.010 174.700 -0.212 0.000 1.029 509 T CA -0.463 61.551 62.100 -0.143 0.000 0.916 509 T CB 0.495 69.296 68.868 -0.112 0.000 1.041 509 T HN -0.027 nan 8.240 nan 0.000 0.562 510 R N 0.099 120.394 120.500 -0.342 0.000 2.148 510 R HA 0.006 4.346 4.340 0.001 0.000 0.223 510 R C 0.327 176.218 176.300 -0.681 0.000 1.088 510 R CA 1.091 56.846 56.100 -0.573 0.000 0.985 510 R CB -0.003 29.785 30.300 -0.853 0.000 0.880 510 R HN 0.530 nan 8.270 nan 0.000 0.451 511 Y N -1.505 118.725 120.300 -0.117 0.000 2.641 511 Y HA 0.481 5.032 4.550 0.001 0.000 0.248 511 Y C 0.416 176.219 175.900 -0.161 0.000 1.170 511 Y CA -0.012 58.007 58.100 -0.134 0.000 1.201 511 Y CB 1.617 39.984 38.460 -0.155 0.000 1.232 511 Y HN 0.104 nan 8.280 nan 0.000 0.537 512 G N -0.876 107.879 108.800 -0.074 0.000 2.387 512 G HA2 0.337 4.298 3.960 0.001 0.000 0.294 512 G HA3 0.337 4.298 3.960 0.001 0.000 0.294 512 G C -1.173 173.663 174.900 -0.107 0.000 1.509 512 G CA -0.940 44.101 45.100 -0.098 0.000 0.806 512 G HN -0.193 nan 8.290 nan 0.000 0.546 513 T N 0.690 115.186 114.554 -0.097 0.000 2.913 513 T HA 0.382 4.733 4.350 0.001 0.000 0.297 513 T C 0.247 174.888 174.700 -0.098 0.000 1.029 513 T CA -0.113 61.938 62.100 -0.082 0.000 1.104 513 T CB 1.409 70.245 68.868 -0.053 0.000 0.964 513 T HN 0.608 nan 8.240 nan 0.000 0.532 514 L N 5.153 126.326 121.223 -0.083 0.000 2.342 514 L HA 0.339 4.679 4.340 0.001 0.000 0.285 514 L C 0.871 177.682 176.870 -0.098 0.000 1.095 514 L CA 0.027 54.812 54.840 -0.091 0.000 0.843 514 L CB -0.448 41.581 42.059 -0.051 0.000 1.201 514 L HN 0.721 nan 8.230 nan 0.000 0.445 515 I N -0.022 120.447 120.570 -0.168 0.000 3.783 515 I HA 0.423 4.594 4.170 0.001 0.000 0.310 515 I C 0.012 176.002 176.117 -0.211 0.000 1.274 515 I CA 0.101 61.304 61.300 -0.161 0.000 1.294 515 I CB 0.188 38.089 38.000 -0.165 0.000 1.051 515 I HN 0.457 nan 8.210 nan 0.000 0.435 516 D N -0.121 120.115 120.400 -0.274 0.000 2.671 516 D HA 0.265 4.906 4.640 0.001 0.000 0.273 516 D C -1.081 175.136 176.300 -0.139 0.000 1.264 516 D CA -0.566 53.291 54.000 -0.239 0.000 0.788 516 D CB 1.316 41.954 40.800 -0.270 0.000 1.324 516 D HN 0.162 nan 8.370 nan 0.000 0.424 517 H N 1.174 120.252 119.070 0.013 0.000 3.046 517 H HA 0.143 4.699 4.556 0.001 0.000 0.303 517 H C 0.363 175.696 175.328 0.009 0.000 1.002 517 H CA 0.753 56.814 56.048 0.022 0.000 1.460 517 H CB -0.119 29.676 29.762 0.055 0.000 1.493 517 H HN 0.359 nan 8.280 nan 0.000 0.559 518 N N 1.067 119.839 118.700 0.120 0.000 2.800 518 N HA -0.195 4.545 4.740 0.001 0.000 0.250 518 N C -1.115 174.401 175.510 0.009 0.000 1.078 518 N CA 0.882 53.971 53.050 0.064 0.000 0.804 518 N CB -0.922 37.621 38.487 0.092 0.000 1.135 518 N HN 0.472 nan 8.380 nan 0.000 0.565 519 I N 0.450 120.978 120.570 -0.069 0.000 2.466 519 I HA 0.441 4.612 4.170 0.001 0.000 0.289 519 I C -0.494 175.474 176.117 -0.248 0.000 1.026 519 I CA -0.990 60.193 61.300 -0.196 0.000 1.078 519 I CB 1.963 39.727 38.000 -0.393 0.000 1.249 519 I HN -0.250 nan 8.210 nan 0.000 0.429 520 V N 4.555 124.344 119.914 -0.209 0.000 2.540 520 V HA 0.479 4.599 4.120 0.001 0.000 0.302 520 V C 0.532 176.498 176.094 -0.214 0.000 1.035 520 V CA -0.571 61.608 62.300 -0.201 0.000 0.873 520 V CB 1.932 33.658 31.823 -0.161 0.000 0.992 520 V HN 0.885 nan 8.190 nan 0.000 0.428 521 G N 2.648 111.333 108.800 -0.192 0.000 2.770 521 G HA2 0.312 4.272 3.960 0.001 0.000 0.307 521 G HA3 0.312 4.272 3.960 0.001 0.000 0.307 521 G C 0.328 175.160 174.900 -0.114 0.000 0.863 521 G CA -0.140 44.882 45.100 -0.130 0.000 1.595 521 G HN 0.661 nan 8.290 nan 0.000 0.496 522 T N 2.295 116.758 114.554 -0.152 0.000 2.849 522 T HA 0.044 4.394 4.350 0.001 0.000 0.289 522 T C 1.133 175.877 174.700 0.073 0.000 1.010 522 T CA 0.484 62.489 62.100 -0.159 0.000 1.161 522 T CB 0.404 68.987 68.868 -0.475 0.000 0.989 522 T HN 0.402 nan 8.240 nan 0.000 0.523 523 T N 5.529 120.079 114.554 -0.007 0.000 2.928 523 T HA 0.236 4.587 4.350 0.001 0.000 0.305 523 T C 0.326 174.979 174.700 -0.078 0.000 1.035 523 T CA -0.135 61.921 62.100 -0.072 0.000 1.145 523 T CB -0.022 68.789 68.868 -0.095 0.000 0.963 523 T HN 0.850 nan 8.240 nan 0.000 0.545 524 H N 0.386 119.219 119.070 -0.395 0.000 2.905 524 H HA 0.508 5.065 4.556 0.001 0.000 0.280 524 H C -1.368 173.690 175.328 -0.450 0.000 1.445 524 H CA -1.129 54.559 56.048 -0.601 0.000 1.165 524 H CB 1.071 30.030 29.762 -1.338 0.000 1.857 524 H HN 0.544 nan 8.280 nan 0.000 0.567 525 Q N 0.029 119.541 119.800 -0.480 0.000 2.458 525 Q HA 0.392 4.732 4.340 0.001 0.000 0.282 525 Q C -1.092 174.658 176.000 -0.416 0.000 1.106 525 Q CA -0.998 54.572 55.803 -0.388 0.000 0.814 525 Q CB 2.909 31.497 28.738 -0.251 0.000 1.425 525 Q HN 0.515 nan 8.270 nan 0.000 0.437 526 H N 1.268 120.278 119.070 -0.099 0.000 2.762 526 H HA 0.444 5.000 4.556 0.001 0.000 0.310 526 H C -0.928 174.202 175.328 -0.330 0.000 1.004 526 H CA -0.275 55.660 56.048 -0.187 0.000 1.267 526 H CB 0.797 30.538 29.762 -0.034 0.000 1.437 526 H HN 0.459 nan 8.280 nan 0.000 0.498 527 I N 4.871 125.259 120.570 -0.303 0.000 2.382 527 I HA 0.176 4.347 4.170 0.001 0.000 0.285 527 I C -0.709 175.273 176.117 -0.224 0.000 1.007 527 I CA -0.683 60.505 61.300 -0.187 0.000 1.142 527 I CB 0.634 38.561 38.000 -0.122 0.000 1.289 527 I HN 0.334 nan 8.210 nan 0.000 0.453 528 Y N 4.376 124.739 120.300 0.104 0.000 2.387 528 Y HA 0.467 5.017 4.550 0.001 0.000 0.330 528 Y C 0.188 176.055 175.900 -0.054 0.000 1.133 528 Y CA -0.878 57.220 58.100 -0.005 0.000 1.152 528 Y CB 1.119 39.549 38.460 -0.050 0.000 1.215 528 Y HN 0.500 nan 8.280 nan 0.000 0.466 529 N N 1.075 119.729 118.700 -0.077 0.000 2.310 529 N HA 0.529 5.270 4.740 0.001 0.000 0.292 529 N C -2.181 173.158 175.510 -0.286 0.000 1.049 529 N CA -0.495 52.549 53.050 -0.011 0.000 0.849 529 N CB 0.932 39.541 38.487 0.204 0.000 1.532 529 N HN 0.370 nan 8.380 nan 0.000 0.479 530 F N 1.286 121.394 119.950 0.263 0.000 2.482 530 F HA 0.469 4.996 4.527 0.001 0.000 0.331 530 F C 0.662 176.513 175.800 0.084 0.000 1.115 530 F CA -0.830 57.278 58.000 0.181 0.000 0.955 530 F CB 1.605 40.679 39.000 0.123 0.000 1.136 530 F HN 0.283 nan 8.300 nan 0.000 0.452 531 R N 4.622 125.177 120.500 0.090 0.000 2.196 531 R HA 0.557 4.898 4.340 0.001 0.000 0.340 531 R C -1.640 174.518 176.300 -0.236 0.000 1.043 531 R CA -0.281 55.580 56.100 -0.397 0.000 0.883 531 R CB 0.226 30.151 30.300 -0.625 0.000 1.078 531 R HN 0.785 nan 8.270 nan 0.000 0.462 532 L N 4.641 125.709 121.223 -0.258 0.000 2.366 532 L HA 0.246 4.586 4.340 0.001 0.000 0.266 532 L C -0.463 176.321 176.870 -0.143 0.000 1.010 532 L CA -0.770 54.003 54.840 -0.113 0.000 0.879 532 L CB 1.588 43.641 42.059 -0.010 0.000 1.228 532 L HN 0.551 nan 8.230 nan 0.000 0.439 533 D N 4.514 124.843 120.400 -0.118 0.000 2.558 533 D HA 0.228 4.869 4.640 0.001 0.000 0.221 533 D C -0.109 176.211 176.300 0.034 0.000 1.143 533 D CA -0.086 53.895 54.000 -0.032 0.000 1.010 533 D CB 0.156 40.979 40.800 0.038 0.000 1.068 533 D HN 0.304 nan 8.370 nan 0.000 0.511 534 L N 1.994 123.224 121.223 0.012 0.000 2.380 534 L HA 0.273 4.613 4.340 0.001 0.000 0.273 534 L C 0.212 177.119 176.870 0.061 0.000 1.138 534 L CA -0.114 54.734 54.840 0.015 0.000 0.832 534 L CB 0.796 42.827 42.059 -0.046 0.000 1.124 534 L HN 0.102 nan 8.230 nan 0.000 0.454 535 D N 2.702 123.167 120.400 0.109 0.000 2.432 535 D HA 0.174 4.815 4.640 0.001 0.000 0.265 535 D C -0.453 175.894 176.300 0.078 0.000 1.160 535 D CA -0.258 53.808 54.000 0.110 0.000 0.911 535 D CB 1.711 42.634 40.800 0.205 0.000 1.052 535 D HN 0.051 nan 8.370 nan 0.000 0.508 536 V N 2.675 122.634 119.914 0.075 0.000 2.393 536 V HA -0.027 4.093 4.120 0.001 0.000 0.257 536 V C 1.022 177.240 176.094 0.208 0.000 1.040 536 V CA 0.103 62.504 62.300 0.167 0.000 1.097 536 V CB -0.066 31.884 31.823 0.213 0.000 1.101 536 V HN 0.560 nan 8.190 nan 0.000 0.479 537 D N 3.518 124.065 120.400 0.246 0.000 2.837 537 D HA -0.141 4.499 4.640 0.001 0.000 0.230 537 D C 0.386 176.661 176.300 -0.042 0.000 1.152 537 D CA 1.755 55.803 54.000 0.080 0.000 0.736 537 D CB -0.948 39.823 40.800 -0.049 0.000 1.084 537 D HN 1.228 nan 8.370 nan 0.000 0.429 538 G N -1.481 107.279 108.800 -0.066 0.000 2.353 538 G HA2 0.165 4.126 3.960 0.001 0.000 0.308 538 G HA3 0.165 4.126 3.960 0.001 0.000 0.308 538 G C 0.177 175.038 174.900 -0.065 0.000 1.418 538 G CA 0.112 45.144 45.100 -0.113 0.000 0.966 538 G HN 0.004 nan 8.290 nan 0.000 0.638 539 E N 0.038 120.192 120.200 -0.076 0.000 2.076 539 E HA 0.026 4.376 4.350 0.001 0.000 0.190 539 E C 1.089 177.680 176.600 -0.015 0.000 0.979 539 E CA 0.632 57.008 56.400 -0.041 0.000 0.807 539 E CB 0.037 29.699 29.700 -0.065 0.000 0.761 539 E HN 0.412 nan 8.360 nan 0.000 0.454 540 N N 2.417 121.108 118.700 -0.015 0.000 2.399 540 N HA 0.067 4.807 4.740 0.001 0.000 0.259 540 N C -0.605 174.913 175.510 0.014 0.000 1.160 540 N CA 0.206 53.257 53.050 0.002 0.000 0.946 540 N CB 0.374 38.860 38.487 -0.001 0.000 1.156 540 N HN 0.103 nan 8.380 nan 0.000 0.489 541 N N 0.126 118.843 118.700 0.028 0.000 2.577 541 N HA 0.452 5.192 4.740 0.001 0.000 0.285 541 N C -0.767 174.766 175.510 0.039 0.000 1.309 541 N CA -0.445 52.628 53.050 0.038 0.000 0.798 541 N CB 1.483 39.999 38.487 0.050 0.000 1.463 541 N HN 0.179 nan 8.380 nan 0.000 0.518 542 S N 0.284 116.007 115.700 0.038 0.000 2.549 542 S HA 0.431 4.902 4.470 0.001 0.000 0.280 542 S C -1.159 173.456 174.600 0.026 0.000 1.109 542 S CA -0.568 57.652 58.200 0.034 0.000 0.905 542 S CB 1.930 65.145 63.200 0.027 0.000 1.081 542 S HN 0.412 nan 8.310 nan 0.000 0.477 543 L N 3.621 124.860 121.223 0.026 0.000 2.281 543 L HA 0.626 4.967 4.340 0.001 0.000 0.285 543 L C -1.080 175.767 176.870 -0.039 0.000 1.074 543 L CA 0.031 54.875 54.840 0.006 0.000 0.817 543 L CB 0.546 42.623 42.059 0.031 0.000 1.168 543 L HN 0.458 nan 8.230 nan 0.000 0.434 544 V N 4.871 124.733 119.914 -0.087 0.000 2.555 544 V HA 0.835 4.956 4.120 0.001 0.000 0.302 544 V C 0.123 176.060 176.094 -0.262 0.000 1.038 544 V CA -0.554 61.650 62.300 -0.160 0.000 0.887 544 V CB 1.465 33.206 31.823 -0.136 0.000 0.991 544 V HN 0.946 nan 8.190 nan 0.000 0.434 545 A N 5.591 128.140 122.820 -0.451 0.000 2.324 545 A HA 0.941 5.262 4.320 0.001 0.000 0.330 545 A C -0.530 176.752 177.584 -0.504 0.000 1.165 545 A CA -0.594 51.093 52.037 -0.584 0.000 0.813 545 A CB 1.052 19.395 19.000 -1.094 0.000 1.197 545 A HN 0.827 nan 8.150 nan 0.000 0.484 546 M N 2.895 122.308 119.600 -0.312 0.000 2.060 546 M HA 0.234 4.714 4.480 0.001 0.000 0.275 546 M C -1.693 174.557 176.300 -0.083 0.000 0.919 546 M CA -0.428 54.766 55.300 -0.177 0.000 0.970 546 M CB 1.702 34.179 32.600 -0.205 0.000 1.670 546 M HN 0.585 nan 8.290 nan 0.000 0.440 547 D N 4.861 125.265 120.400 0.007 0.000 2.373 547 D HA 0.370 5.010 4.640 0.001 0.000 0.227 547 D C -2.502 173.824 176.300 0.043 0.000 1.091 547 D CA -1.350 52.674 54.000 0.040 0.000 0.840 547 D CB 1.335 42.201 40.800 0.109 0.000 1.060 547 D HN 0.129 nan 8.370 nan 0.000 0.502 548 P HA 0.019 nan 4.420 nan 0.000 0.267 548 P C -0.421 176.898 177.300 0.031 0.000 1.209 548 P CA -0.203 62.918 63.100 0.035 0.000 0.763 548 P CB 0.829 32.550 31.700 0.034 0.000 0.816 549 V N 1.260 121.194 119.914 0.033 0.000 3.078 549 V HA 0.562 4.683 4.120 0.001 0.000 0.311 549 V C -0.650 175.457 176.094 0.022 0.000 1.138 549 V CA -1.085 61.231 62.300 0.026 0.000 1.007 549 V CB 2.291 34.131 31.823 0.028 0.000 1.045 549 V HN 0.074 nan 8.190 nan 0.000 0.432 550 V N 3.159 123.083 119.914 0.016 0.000 2.333 550 V HA 0.486 4.607 4.120 0.001 0.000 0.274 550 V C 0.249 176.350 176.094 0.012 0.000 1.028 550 V CA -0.365 61.943 62.300 0.014 0.000 0.851 550 V CB 0.728 32.557 31.823 0.011 0.000 1.000 550 V HN 0.921 nan 8.190 nan 0.000 0.456 551 K N 5.211 125.619 120.400 0.013 0.000 2.208 551 K HA 0.534 4.854 4.320 0.001 0.000 0.247 551 K C -2.740 173.866 176.600 0.009 0.000 0.953 551 K CA -2.030 54.264 56.287 0.010 0.000 0.837 551 K CB 2.160 34.667 32.500 0.013 0.000 1.131 551 K HN 0.280 nan 8.250 nan 0.000 0.431 552 P HA -0.084 nan 4.420 nan 0.000 0.266 552 P C -0.690 176.614 177.300 0.006 0.000 1.195 552 P CA 0.142 63.245 63.100 0.006 0.000 0.768 552 P CB 0.335 32.037 31.700 0.004 0.000 0.838 553 N N 1.563 120.267 118.700 0.006 0.000 2.470 553 N HA 0.085 4.825 4.740 0.001 0.000 0.268 553 N C 0.207 175.720 175.510 0.005 0.000 1.136 553 N CA -0.062 52.991 53.050 0.006 0.000 0.961 553 N CB 0.324 38.815 38.487 0.005 0.000 1.067 553 N HN 0.382 nan 8.380 nan 0.000 0.468 554 T N 0.091 114.649 114.554 0.006 0.000 3.200 554 T HA 0.335 4.685 4.350 0.001 0.000 0.284 554 T C 0.604 175.307 174.700 0.005 0.000 1.009 554 T CA -0.420 61.683 62.100 0.005 0.000 0.907 554 T CB 0.534 69.405 68.868 0.005 0.000 1.120 554 T HN 0.413 nan 8.240 nan 0.000 0.534 555 A N 0.724 123.547 122.820 0.005 0.000 2.470 555 A HA 0.792 5.113 4.320 0.001 0.000 0.251 555 A C 1.318 178.904 177.584 0.004 0.000 1.245 555 A CA 0.048 52.088 52.037 0.004 0.000 0.932 555 A CB -0.545 18.458 19.000 0.005 0.000 1.037 555 A HN 1.438 nan 8.150 nan 0.000 0.522 556 G N -1.549 107.253 108.800 0.003 0.000 2.829 556 G HA2 0.475 4.435 3.960 0.001 0.000 0.628 556 G HA3 0.475 4.435 3.960 0.001 0.000 0.628 556 G C 0.763 175.664 174.900 0.003 0.000 1.412 556 G CA -0.088 45.014 45.100 0.003 0.000 0.864 556 G HN 2.532 nan 8.290 nan 0.000 0.544 557 G N -1.250 107.551 108.800 0.002 0.000 2.655 557 G HA2 0.301 4.261 3.960 0.001 0.000 0.680 557 G HA3 0.301 4.261 3.960 0.001 0.000 0.680 557 G C -0.847 174.055 174.900 0.002 0.000 1.302 557 G CA 0.449 45.550 45.100 0.002 0.000 0.872 557 G HN 1.342 nan 8.290 nan 0.000 0.540 558 P HA 0.043 nan 4.420 nan 0.000 0.218 558 P C 1.010 178.312 177.300 0.003 0.000 1.149 558 P CA 0.577 63.679 63.100 0.003 0.000 0.817 558 P CB 0.090 31.791 31.700 0.002 0.000 0.785 559 R N 0.132 120.634 120.500 0.003 0.000 2.570 559 R HA 0.058 4.398 4.340 0.001 0.000 0.277 559 R C 1.401 177.704 176.300 0.004 0.000 1.039 559 R CA 0.956 57.058 56.100 0.004 0.000 1.065 559 R CB -0.136 30.167 30.300 0.005 0.000 0.964 559 R HN 0.236 nan 8.270 nan 0.000 0.428 560 T N -2.592 111.964 114.554 0.004 0.000 3.037 560 T HA 0.038 4.389 4.350 0.001 0.000 0.252 560 T C 0.816 175.519 174.700 0.005 0.000 1.073 560 T CA 0.254 62.356 62.100 0.004 0.000 1.091 560 T CB 0.224 69.094 68.868 0.004 0.000 0.935 560 T HN 0.537 nan 8.240 nan 0.000 0.488 561 S N 0.868 116.571 115.700 0.006 0.000 2.627 561 S HA 0.748 5.218 4.470 0.001 0.000 0.283 561 S C -0.610 173.995 174.600 0.008 0.000 1.127 561 S CA -0.508 57.697 58.200 0.007 0.000 0.863 561 S CB 2.005 65.209 63.200 0.007 0.000 1.121 561 S HN 0.674 nan 8.310 nan 0.000 0.479 562 T N -1.624 112.936 114.554 0.010 0.000 2.883 562 T HA 0.672 5.022 4.350 0.001 0.000 0.296 562 T C -0.773 173.936 174.700 0.015 0.000 1.117 562 T CA -0.958 61.149 62.100 0.012 0.000 1.006 562 T CB 1.227 70.103 68.868 0.012 0.000 1.191 562 T HN 0.666 nan 8.240 nan 0.000 0.508 563 M N 2.242 121.852 119.600 0.018 0.000 2.088 563 M HA 0.420 4.901 4.480 0.001 0.000 0.346 563 M C -0.220 176.096 176.300 0.028 0.000 1.111 563 M CA -0.446 54.867 55.300 0.022 0.000 1.017 563 M CB 1.326 33.940 32.600 0.023 0.000 1.568 563 M HN 0.633 nan 8.290 nan 0.000 0.445 564 Q N 1.513 121.331 119.800 0.031 0.000 2.633 564 Q HA 0.819 5.159 4.340 0.001 0.000 0.292 564 Q C -1.293 174.734 176.000 0.045 0.000 1.089 564 Q CA -1.139 54.686 55.803 0.036 0.000 0.811 564 Q CB 3.233 31.990 28.738 0.032 0.000 1.472 564 Q HN 0.471 nan 8.270 nan 0.000 0.464 565 V N 1.516 121.461 119.914 0.052 0.000 2.638 565 V HA 0.333 4.453 4.120 0.001 0.000 0.306 565 V C -0.989 175.147 176.094 0.070 0.000 1.052 565 V CA -0.973 61.362 62.300 0.059 0.000 0.885 565 V CB 1.979 33.840 31.823 0.064 0.000 0.999 565 V HN 0.638 nan 8.190 nan 0.000 0.424 566 N N 4.080 122.836 118.700 0.093 0.000 2.439 566 N HA 0.272 5.012 4.740 0.001 0.000 0.249 566 N C -0.578 175.054 175.510 0.203 0.000 1.003 566 N CA -0.095 53.045 53.050 0.149 0.000 0.942 566 N CB 1.857 40.444 38.487 0.167 0.000 1.115 566 N HN 0.762 nan 8.380 nan 0.000 0.505 567 Q N 3.138 123.041 119.800 0.171 0.000 2.316 567 Q HA 0.391 4.732 4.340 0.001 0.000 0.264 567 Q C -1.572 174.551 176.000 0.205 0.000 0.987 567 Q CA -0.740 55.115 55.803 0.087 0.000 0.852 567 Q CB 0.870 29.625 28.738 0.028 0.000 1.287 567 Q HN 0.577 nan 8.270 nan 0.000 0.448 568 Y N 0.284 120.581 120.300 -0.006 0.000 2.609 568 Y HA 0.535 5.085 4.550 0.001 0.000 0.336 568 Y C -1.534 174.366 175.900 0.001 0.000 1.129 568 Y CA -1.524 56.577 58.100 -0.000 0.000 1.040 568 Y CB 0.756 39.217 38.460 0.001 0.000 1.310 568 Y HN 0.508 nan 8.280 nan 0.000 0.460 569 N N 1.131 119.903 118.700 0.120 0.000 2.509 569 N HA 0.532 5.273 4.740 0.001 0.000 0.287 569 N C -1.149 174.427 175.510 0.110 0.000 1.121 569 N CA -0.508 52.571 53.050 0.049 0.000 0.977 569 N CB 1.262 39.780 38.487 0.053 0.000 1.167 569 N HN 0.691 nan 8.380 nan 0.000 0.476 570 I N 1.176 121.781 120.570 0.058 0.000 2.361 570 I HA 0.239 4.410 4.170 0.001 0.000 0.282 570 I C 1.331 177.492 176.117 0.074 0.000 1.075 570 I CA -0.367 60.986 61.300 0.088 0.000 1.205 570 I CB 0.946 38.982 38.000 0.060 0.000 1.406 570 I HN 0.727 nan 8.210 nan 0.000 0.481 571 G N 5.537 114.384 108.800 0.078 0.000 2.598 571 G HA2 -0.093 3.868 3.960 0.001 0.000 0.215 571 G HA3 -0.093 3.868 3.960 0.001 0.000 0.215 571 G C 0.518 175.459 174.900 0.070 0.000 1.131 571 G CA 0.186 45.327 45.100 0.068 0.000 0.785 571 G HN 0.652 nan 8.290 nan 0.000 0.539 572 N N -0.799 117.945 118.700 0.074 0.000 2.357 572 N HA 0.187 4.927 4.740 0.001 0.000 0.284 572 N C 0.203 175.767 175.510 0.090 0.000 1.236 572 N CA -0.616 52.482 53.050 0.080 0.000 0.774 572 N CB 1.448 39.977 38.487 0.071 0.000 1.534 572 N HN 0.035 nan 8.380 nan 0.000 0.478 573 E N 0.244 120.510 120.200 0.109 0.000 2.097 573 E HA -0.287 4.064 4.350 0.001 0.000 0.196 573 E C 1.142 177.807 176.600 0.109 0.000 1.000 573 E CA 1.644 58.126 56.400 0.137 0.000 0.804 573 E CB 0.021 29.821 29.700 0.167 0.000 0.740 573 E HN 0.564 nan 8.360 nan 0.000 0.454 574 Q N 1.013 120.864 119.800 0.085 0.000 2.061 574 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 574 Q C 1.562 177.569 176.000 0.011 0.000 0.984 574 Q CA 1.768 57.602 55.803 0.050 0.000 0.846 574 Q CB -0.002 28.766 28.738 0.050 0.000 0.902 574 Q HN 0.229 nan 8.270 nan 0.000 0.421 575 D N -1.013 119.406 120.400 0.030 0.000 2.269 575 D HA -0.044 4.597 4.640 0.001 0.000 0.208 575 D C 1.277 177.588 176.300 0.019 0.000 0.963 575 D CA 1.016 55.032 54.000 0.026 0.000 0.864 575 D CB -0.009 40.824 40.800 0.056 0.000 0.936 575 D HN 0.370 nan 8.370 nan 0.000 0.505 576 A N 0.842 123.679 122.820 0.029 0.000 2.067 576 A HA 0.241 4.561 4.320 0.001 0.000 0.217 576 A C 1.478 179.033 177.584 -0.049 0.000 1.156 576 A CA 0.568 52.627 52.037 0.036 0.000 0.683 576 A CB -0.075 18.985 19.000 0.099 0.000 0.808 576 A HN 0.159 nan 8.150 nan 0.000 0.455 577 A N 1.029 123.749 122.820 -0.166 0.000 2.410 577 A HA 0.508 4.829 4.320 0.001 0.000 0.292 577 A C 0.166 177.461 177.584 -0.482 0.000 1.232 577 A CA -0.034 51.654 52.037 -0.581 0.000 0.893 577 A CB -0.498 18.021 19.000 -0.803 0.000 1.131 577 A HN 0.691 nan 8.150 nan 0.000 0.530 578 Q N 1.858 121.416 119.800 -0.404 0.000 2.648 578 Q HA 0.503 4.843 4.340 0.001 0.000 0.300 578 Q C -1.234 174.705 176.000 -0.101 0.000 0.954 578 Q CA -1.302 54.381 55.803 -0.200 0.000 0.757 578 Q CB 0.884 29.582 28.738 -0.066 0.000 1.482 578 Q HN 0.320 nan 8.270 nan 0.000 0.437 579 K N 0.611 120.995 120.400 -0.026 0.000 2.168 579 K HA 0.358 4.678 4.320 0.001 0.000 0.258 579 K C -0.972 175.713 176.600 0.142 0.000 1.010 579 K CA -0.177 56.137 56.287 0.046 0.000 0.929 579 K CB 0.372 32.883 32.500 0.019 0.000 0.998 579 K HN 0.577 nan 8.250 nan 0.000 0.479 580 F N 1.830 121.793 119.950 0.023 0.000 2.444 580 F HA 0.158 4.685 4.527 0.001 0.000 0.342 580 F C -0.196 175.642 175.800 0.064 0.000 1.121 580 F CA -1.260 56.773 58.000 0.054 0.000 0.997 580 F CB 1.068 40.129 39.000 0.102 0.000 1.130 580 F HN 0.341 nan 8.300 nan 0.000 0.454 581 D N 8.683 128.674 120.400 -0.681 0.000 2.373 581 D HA 0.254 4.895 4.640 0.001 0.000 0.227 581 D C -1.830 173.892 176.300 -0.964 0.000 1.091 581 D CA -2.286 51.380 54.000 -0.556 0.000 0.840 581 D CB 2.070 42.697 40.800 -0.289 0.000 1.060 581 D HN 0.322 nan 8.370 nan 0.000 0.502 582 P HA -0.066 nan 4.420 nan 0.000 0.226 582 P C 1.036 178.239 177.300 -0.162 0.000 1.146 582 P CA 0.502 63.425 63.100 -0.294 0.000 0.773 582 P CB 0.296 32.084 31.700 0.145 0.000 0.772 583 G N -0.394 108.299 108.800 -0.178 0.000 2.939 583 G HA2 0.024 3.984 3.960 0.001 0.000 0.210 583 G HA3 0.024 3.984 3.960 0.001 0.000 0.210 583 G C 0.700 175.550 174.900 -0.083 0.000 1.160 583 G CA 0.429 45.480 45.100 -0.082 0.000 0.770 583 G HN 0.420 nan 8.290 nan 0.000 0.543 584 T N -1.635 112.820 114.554 -0.165 0.000 2.937 584 T HA 0.727 5.078 4.350 0.001 0.000 0.283 584 T C -0.385 174.290 174.700 -0.042 0.000 1.012 584 T CA -0.823 61.216 62.100 -0.102 0.000 0.997 584 T CB 2.238 71.036 68.868 -0.115 0.000 1.136 584 T HN -0.068 nan 8.240 nan 0.000 0.551 585 I N 1.020 121.561 120.570 -0.048 0.000 2.465 585 I HA 0.515 4.686 4.170 0.001 0.000 0.291 585 I C -0.175 175.874 176.117 -0.113 0.000 1.014 585 I CA -1.108 60.139 61.300 -0.087 0.000 1.093 585 I CB 1.792 39.629 38.000 -0.272 0.000 1.267 585 I HN 0.399 nan 8.210 nan 0.000 0.431 586 R N 6.991 127.462 120.500 -0.049 0.000 2.513 586 R HA 0.694 5.034 4.340 0.001 0.000 0.301 586 R C -1.338 174.884 176.300 -0.129 0.000 0.968 586 R CA -0.749 55.312 56.100 -0.064 0.000 0.872 586 R CB 2.154 32.501 30.300 0.078 0.000 1.177 586 R HN 0.559 nan 8.270 nan 0.000 0.444 587 L N 2.935 124.054 121.223 -0.174 0.000 2.354 587 L HA 0.551 4.891 4.340 0.001 0.000 0.269 587 L C -0.504 176.336 176.870 -0.051 0.000 1.005 587 L CA -1.293 53.457 54.840 -0.150 0.000 0.819 587 L CB 1.992 43.882 42.059 -0.282 0.000 1.311 587 L HN 0.251 nan 8.230 nan 0.000 0.423 588 L N 1.934 123.168 121.223 0.019 0.000 2.297 588 L HA 0.459 4.800 4.340 0.001 0.000 0.277 588 L C -0.254 176.663 176.870 0.078 0.000 1.040 588 L CA 0.374 55.245 54.840 0.051 0.000 0.867 588 L CB 0.902 43.004 42.059 0.072 0.000 1.244 588 L HN 0.541 nan 8.230 nan 0.000 0.433 589 S N 3.132 118.862 115.700 0.051 0.000 2.687 589 S HA 0.454 4.925 4.470 0.001 0.000 0.283 589 S C -0.234 174.406 174.600 0.066 0.000 1.170 589 S CA -0.709 57.533 58.200 0.069 0.000 1.008 589 S CB 1.122 64.344 63.200 0.035 0.000 1.026 589 S HN 0.637 nan 8.310 nan 0.000 0.541 590 N N 2.285 121.026 118.700 0.068 0.000 2.621 590 N HA 0.247 4.988 4.740 0.001 0.000 0.237 590 N C -2.080 173.443 175.510 0.021 0.000 0.997 590 N CA -2.085 50.989 53.050 0.041 0.000 0.918 590 N CB 1.310 39.819 38.487 0.037 0.000 1.122 590 N HN 0.244 nan 8.380 nan 0.000 0.510 591 P HA -0.033 nan 4.420 nan 0.000 0.236 591 P C 0.039 177.339 177.300 0.001 0.000 1.172 591 P CA 0.725 63.832 63.100 0.011 0.000 0.759 591 P CB 0.516 32.224 31.700 0.015 0.000 0.843 592 N N -0.155 118.541 118.700 -0.007 0.000 2.282 592 N HA 0.076 4.817 4.740 0.001 0.000 0.185 592 N C 0.370 175.861 175.510 -0.031 0.000 1.099 592 N CA 0.382 53.421 53.050 -0.017 0.000 0.878 592 N CB 0.643 39.118 38.487 -0.021 0.000 0.993 592 N HN 0.317 nan 8.380 nan 0.000 0.481 593 K N 0.964 121.342 120.400 -0.038 0.000 2.482 593 K HA 0.384 4.705 4.320 0.001 0.000 0.251 593 K C -0.700 175.861 176.600 -0.066 0.000 0.936 593 K CA -0.434 55.814 56.287 -0.065 0.000 0.791 593 K CB 2.497 34.938 32.500 -0.099 0.000 1.213 593 K HN -0.015 nan 8.250 nan 0.000 0.428 594 E N 1.189 121.348 120.200 -0.069 0.000 2.320 594 E HA 0.196 4.547 4.350 0.001 0.000 0.264 594 E C -0.665 175.882 176.600 -0.088 0.000 0.923 594 E CA -0.963 55.401 56.400 -0.060 0.000 0.796 594 E CB 1.849 31.529 29.700 -0.033 0.000 1.262 594 E HN 0.662 nan 8.360 nan 0.000 0.428 595 N N -0.092 118.562 118.700 -0.077 0.000 2.443 595 N HA 0.149 4.890 4.740 0.001 0.000 0.294 595 N C 0.871 176.347 175.510 -0.056 0.000 1.289 595 N CA -0.773 52.224 53.050 -0.087 0.000 0.966 595 N CB 0.933 39.372 38.487 -0.080 0.000 1.122 595 N HN 0.321 nan 8.380 nan 0.000 0.569 596 R N -1.134 119.337 120.500 -0.048 0.000 2.241 596 R HA -0.029 4.311 4.340 0.001 0.000 0.224 596 R C 0.765 177.048 176.300 -0.029 0.000 1.101 596 R CA 1.326 57.404 56.100 -0.036 0.000 0.995 596 R CB -0.119 30.163 30.300 -0.030 0.000 0.870 596 R HN 0.595 nan 8.270 nan 0.000 0.463 597 M N -0.950 118.633 119.600 -0.029 0.000 2.431 597 M HA 0.289 4.769 4.480 0.001 0.000 0.237 597 M C 0.805 177.097 176.300 -0.013 0.000 1.130 597 M CA 0.521 55.808 55.300 -0.021 0.000 1.002 597 M CB 1.361 33.947 32.600 -0.024 0.000 1.524 597 M HN 0.309 nan 8.290 nan 0.000 0.482 598 G N 0.562 109.353 108.800 -0.015 0.000 2.143 598 G HA2 -0.277 3.683 3.960 0.001 0.000 0.249 598 G HA3 -0.277 3.683 3.960 0.001 0.000 0.249 598 G C -0.027 174.876 174.900 0.004 0.000 0.981 598 G CA -0.051 45.044 45.100 -0.008 0.000 0.665 598 G HN 0.519 nan 8.290 nan 0.000 0.528 599 N N 1.237 119.942 118.700 0.008 0.000 2.473 599 N HA 0.518 5.258 4.740 0.001 0.000 0.291 599 N C -2.727 172.803 175.510 0.033 0.000 1.083 599 N CA -1.707 51.365 53.050 0.038 0.000 0.951 599 N CB 1.455 39.978 38.487 0.061 0.000 1.164 599 N HN -0.003 nan 8.380 nan 0.000 0.480 600 P HA -0.043 nan 4.420 nan 0.000 0.267 600 P C -0.570 176.770 177.300 0.068 0.000 1.205 600 P CA -0.310 62.815 63.100 0.041 0.000 0.765 600 P CB 0.476 32.203 31.700 0.046 0.000 0.828 601 V N 1.783 121.708 119.914 0.019 0.000 2.529 601 V HA 0.376 4.497 4.120 0.001 0.000 0.292 601 V C 0.009 176.229 176.094 0.210 0.000 1.028 601 V CA 0.390 62.712 62.300 0.036 0.000 1.074 601 V CB -0.203 31.499 31.823 -0.201 0.000 0.958 601 V HN 0.469 nan 8.190 nan 0.000 0.481 602 S N 3.216 119.105 115.700 0.315 0.000 2.685 602 S HA 0.774 5.245 4.470 0.001 0.000 0.282 602 S C -1.438 173.347 174.600 0.309 0.000 1.159 602 S CA -0.552 57.833 58.200 0.307 0.000 0.833 602 S CB 1.710 65.019 63.200 0.183 0.000 1.151 602 S HN 0.723 nan 8.310 nan 0.000 0.485 603 Y N 1.445 121.801 120.300 0.093 0.000 2.391 603 Y HA 0.428 4.979 4.550 0.001 0.000 0.341 603 Y C -0.008 175.906 175.900 0.024 0.000 0.965 603 Y CA -0.492 57.633 58.100 0.041 0.000 1.067 603 Y CB 1.756 40.191 38.460 -0.041 0.000 1.199 603 Y HN 0.628 nan 8.280 nan 0.000 0.450 604 Q N 4.366 124.229 119.800 0.105 0.000 2.288 604 Q HA 0.465 4.806 4.340 0.001 0.000 0.258 604 Q C -1.181 174.848 176.000 0.049 0.000 0.957 604 Q CA -0.272 55.554 55.803 0.039 0.000 0.919 604 Q CB 0.630 29.435 28.738 0.111 0.000 1.185 604 Q HN 0.678 nan 8.270 nan 0.000 0.408 605 I N 6.024 126.592 120.570 -0.002 0.000 2.312 605 I HA 0.279 4.450 4.170 0.001 0.000 0.290 605 I C -0.364 175.644 176.117 -0.180 0.000 1.008 605 I CA -0.426 60.842 61.300 -0.054 0.000 1.226 605 I CB 0.931 38.902 38.000 -0.048 0.000 1.371 605 I HN 0.567 nan 8.210 nan 0.000 0.468 606 I N 8.653 129.104 120.570 -0.200 0.000 2.502 606 I HA 0.247 4.417 4.170 0.001 0.000 0.276 606 I C -1.913 174.013 176.117 -0.318 0.000 1.057 606 I CA -1.465 59.649 61.300 -0.309 0.000 1.163 606 I CB 1.477 39.451 38.000 -0.042 0.000 1.288 606 I HN 0.331 nan 8.210 nan 0.000 0.479 607 P HA -0.133 nan 4.420 nan 0.000 0.223 607 P C -0.378 176.987 177.300 0.109 0.000 1.151 607 P CA 1.065 64.063 63.100 -0.171 0.000 0.787 607 P CB 0.056 31.631 31.700 -0.208 0.000 0.788 608 Y N -0.219 120.092 120.300 0.018 0.000 2.402 608 Y HA 0.627 5.177 4.550 0.001 0.000 0.325 608 Y C -0.031 176.007 175.900 0.230 0.000 1.009 608 Y CA -1.591 56.638 58.100 0.215 0.000 1.278 608 Y CB 0.597 39.269 38.460 0.354 0.000 1.105 608 Y HN -0.181 nan 8.280 nan 0.000 0.476 609 A N 3.670 126.368 122.820 -0.204 0.000 2.503 609 A HA 0.732 5.052 4.320 0.001 0.000 0.263 609 A C 0.783 178.192 177.584 -0.292 0.000 1.258 609 A CA 0.281 52.182 52.037 -0.227 0.000 0.936 609 A CB -0.572 18.389 19.000 -0.064 0.000 1.070 609 A HN 1.558 nan 8.150 nan 0.000 0.522 610 G N -2.294 106.183 108.800 -0.538 0.000 2.381 610 G HA2 0.527 4.488 3.960 0.001 0.000 0.672 610 G HA3 0.527 4.488 3.960 0.001 0.000 0.672 610 G C -0.246 174.747 174.900 0.155 0.000 1.324 610 G CA -0.250 44.743 45.100 -0.178 0.000 0.975 610 G HN 1.922 nan 8.290 nan 0.000 0.593 611 G N -2.337 106.594 108.800 0.217 0.000 2.489 611 G HA2 0.714 4.675 3.960 0.001 0.000 0.291 611 G HA3 0.714 4.675 3.960 0.001 0.000 0.291 611 G C 0.486 175.482 174.900 0.160 0.000 1.487 611 G CA 0.945 46.151 45.100 0.176 0.000 0.795 611 G HN 1.983 nan 8.290 nan 0.000 0.513 612 T N -2.620 111.995 114.554 0.103 0.000 3.044 612 T HA 0.280 4.631 4.350 0.001 0.000 0.250 612 T C 0.650 175.371 174.700 0.034 0.000 1.081 612 T CA 0.587 62.720 62.100 0.054 0.000 1.040 612 T CB 0.044 68.918 68.868 0.008 0.000 0.962 612 T HN 0.445 nan 8.240 nan 0.000 0.506 613 H N 1.580 120.668 119.070 0.030 0.000 2.676 613 H HA 0.559 5.115 4.556 0.001 0.000 0.352 613 H C -2.543 172.809 175.328 0.040 0.000 1.193 613 H CA -2.442 53.604 56.048 -0.003 0.000 1.243 613 H CB 1.215 30.941 29.762 -0.059 0.000 1.751 613 H HN 0.044 nan 8.280 nan 0.000 0.567 614 P HA -0.037 nan 4.420 nan 0.000 0.269 614 P C -0.453 176.890 177.300 0.071 0.000 1.209 614 P CA -0.079 63.069 63.100 0.080 0.000 0.776 614 P CB 0.658 32.368 31.700 0.017 0.000 0.876 615 V N 2.624 122.570 119.914 0.053 0.000 2.649 615 V HA 0.469 4.589 4.120 0.001 0.000 0.292 615 V C -0.035 176.027 176.094 -0.054 0.000 1.055 615 V CA -0.455 61.844 62.300 -0.001 0.000 1.023 615 V CB 0.552 32.275 31.823 -0.167 0.000 0.992 615 V HN 0.667 nan 8.190 nan 0.000 0.480 616 A N 5.615 128.412 122.820 -0.038 0.000 2.310 616 A HA 0.418 4.739 4.320 0.001 0.000 0.300 616 A C 0.821 178.366 177.584 -0.065 0.000 1.269 616 A CA -0.387 51.620 52.037 -0.050 0.000 0.909 616 A CB 0.125 19.108 19.000 -0.028 0.000 1.144 616 A HN 0.975 nan 8.150 nan 0.000 0.540 617 K N 1.850 122.208 120.400 -0.070 0.000 2.486 617 K HA 0.256 4.576 4.320 0.001 0.000 0.194 617 K C 0.928 177.516 176.600 -0.019 0.000 1.033 617 K CA 0.753 57.004 56.287 -0.060 0.000 1.004 617 K CB 0.127 32.594 32.500 -0.056 0.000 0.798 617 K HN 0.965 nan 8.250 nan 0.000 0.495 618 G N 0.100 108.891 108.800 -0.015 0.000 2.345 618 G HA2 0.337 4.298 3.960 0.001 0.000 0.285 618 G HA3 0.337 4.298 3.960 0.001 0.000 0.285 618 G C -1.748 173.148 174.900 -0.007 0.000 1.297 618 G CA -0.590 44.515 45.100 0.009 0.000 0.875 618 G HN 0.063 nan 8.290 nan 0.000 0.506 619 A N -0.127 122.716 122.820 0.038 0.000 2.409 619 A HA 0.576 4.896 4.320 0.001 0.000 0.267 619 A C 0.502 178.098 177.584 0.021 0.000 1.127 619 A CA -0.058 52.015 52.037 0.059 0.000 0.795 619 A CB 0.431 19.564 19.000 0.221 0.000 1.061 619 A HN 0.424 nan 8.150 nan 0.000 0.502 620 Q N 2.010 121.670 119.800 -0.234 0.000 3.179 620 Q HA 0.237 4.577 4.340 0.001 0.000 0.328 620 Q C -1.470 174.246 176.000 -0.473 0.000 1.336 620 Q CA 0.604 56.223 55.803 -0.307 0.000 0.939 620 Q CB -0.778 27.751 28.738 -0.348 0.000 1.658 620 Q HN 0.558 nan 8.270 nan 0.000 0.486 621 F N -0.514 119.486 119.950 0.082 0.000 2.565 621 F HA 0.533 5.061 4.527 0.001 0.000 0.313 621 F C 0.329 176.113 175.800 -0.027 0.000 1.091 621 F CA -1.556 56.489 58.000 0.074 0.000 0.915 621 F CB 1.098 40.199 39.000 0.169 0.000 1.208 621 F HN 0.052 nan 8.300 nan 0.000 0.453 622 A N 3.815 126.722 122.820 0.146 0.000 2.483 622 A HA 0.315 4.636 4.320 0.001 0.000 0.238 622 A C -1.519 175.915 177.584 -0.249 0.000 1.070 622 A CA -0.935 51.077 52.037 -0.041 0.000 0.770 622 A CB -0.327 18.665 19.000 -0.012 0.000 1.008 622 A HN 0.609 nan 8.150 nan 0.000 0.497 623 P HA -0.130 nan 4.420 nan 0.000 0.234 623 P C 0.082 177.106 177.300 -0.460 0.000 1.162 623 P CA 1.312 63.943 63.100 -0.781 0.000 0.759 623 P CB 0.052 31.463 31.700 -0.482 0.000 0.813 624 D N -1.496 118.745 120.400 -0.265 0.000 2.424 624 D HA 0.051 4.692 4.640 0.001 0.000 0.220 624 D C 0.119 176.320 176.300 -0.165 0.000 1.150 624 D CA -0.115 53.762 54.000 -0.205 0.000 0.831 624 D CB 0.047 40.761 40.800 -0.143 0.000 0.981 624 D HN 0.079 nan 8.370 nan 0.000 0.500 625 E N -0.083 120.056 120.200 -0.101 0.000 2.266 625 E HA 0.090 4.440 4.350 0.001 0.000 0.277 625 E C 0.164 176.744 176.600 -0.033 0.000 1.018 625 E CA -0.607 55.786 56.400 -0.010 0.000 0.840 625 E CB 1.121 30.817 29.700 -0.006 0.000 1.082 625 E HN 0.167 nan 8.360 nan 0.000 0.395 626 W N 2.001 123.286 121.300 -0.025 0.000 2.358 626 W HA -0.093 4.568 4.660 0.001 0.000 0.303 626 W C 2.164 178.660 176.519 -0.037 0.000 1.208 626 W CA 0.360 57.703 57.345 -0.003 0.000 1.274 626 W CB -0.290 29.087 29.460 -0.139 0.000 1.138 626 W HN 0.614 nan 8.180 nan 0.000 0.515 627 I N -0.423 120.134 120.570 -0.022 0.000 2.248 627 I HA -0.408 3.763 4.170 0.001 0.000 0.248 627 I C 2.426 178.487 176.117 -0.093 0.000 1.107 627 I CA 1.759 62.967 61.300 -0.155 0.000 1.373 627 I CB -0.376 37.350 38.000 -0.456 0.000 1.055 627 I HN 0.087 nan 8.210 nan 0.000 0.418 628 Y N 0.673 120.853 120.300 -0.200 0.000 2.242 628 Y HA -0.326 4.225 4.550 0.001 0.000 0.291 628 Y C 2.564 178.471 175.900 0.012 0.000 1.137 628 Y CA 2.325 60.389 58.100 -0.060 0.000 1.181 628 Y CB -0.550 37.905 38.460 -0.009 0.000 0.989 628 Y HN 0.403 nan 8.280 nan 0.000 0.527 629 H N 0.044 119.197 119.070 0.138 0.000 2.299 629 H HA -0.039 4.518 4.556 0.001 0.000 0.302 629 H C 2.300 177.661 175.328 0.055 0.000 1.078 629 H CA 2.221 58.309 56.048 0.066 0.000 1.323 629 H CB -0.174 29.525 29.762 -0.106 0.000 1.381 629 H HN 0.204 nan 8.280 nan 0.000 0.498 630 R N -0.359 120.131 120.500 -0.016 0.000 2.091 630 R HA -0.010 4.331 4.340 0.001 0.000 0.238 630 R C 0.152 176.391 176.300 -0.101 0.000 1.136 630 R CA 1.237 57.295 56.100 -0.071 0.000 0.959 630 R CB -0.080 30.266 30.300 0.077 0.000 0.856 630 R HN 0.256 nan 8.270 nan 0.000 0.437 631 L N 0.986 122.168 121.223 -0.068 0.000 2.324 631 L HA 0.227 4.567 4.340 0.001 0.000 0.274 631 L C 0.784 177.563 176.870 -0.153 0.000 1.012 631 L CA -0.433 54.396 54.840 -0.018 0.000 0.859 631 L CB 1.954 44.052 42.059 0.065 0.000 1.224 631 L HN 0.081 nan 8.230 nan 0.000 0.429 632 S N 1.391 117.032 115.700 -0.098 0.000 2.478 632 S HA -0.098 4.372 4.470 0.001 0.000 0.222 632 S C 1.592 176.227 174.600 0.059 0.000 1.008 632 S CA -0.002 58.141 58.200 -0.095 0.000 0.928 632 S CB -0.279 62.941 63.200 0.034 0.000 0.781 632 S HN 0.651 nan 8.310 nan 0.000 0.518 633 F N 1.917 121.748 119.950 -0.199 0.000 2.408 633 F HA 0.219 4.746 4.527 0.001 0.000 0.300 633 F C 1.823 177.693 175.800 0.115 0.000 1.090 633 F CA 0.227 58.129 58.000 -0.165 0.000 1.427 633 F CB -1.007 37.734 39.000 -0.432 0.000 1.070 633 F HN 0.082 nan 8.300 nan 0.000 0.549 634 M N 0.403 119.571 119.600 -0.720 0.000 2.229 634 M HA -0.137 4.343 4.480 0.001 0.000 0.264 634 M C 1.335 177.533 176.300 -0.169 0.000 1.063 634 M CA 1.931 56.886 55.300 -0.575 0.000 1.114 634 M CB -0.542 31.751 32.600 -0.511 0.000 1.387 634 M HN 0.140 nan 8.290 nan 0.000 0.420 635 D N 0.138 120.487 120.400 -0.084 0.000 2.348 635 D HA 0.032 4.672 4.640 0.001 0.000 0.211 635 D C 0.075 176.412 176.300 0.063 0.000 0.998 635 D CA 0.637 54.639 54.000 0.004 0.000 0.873 635 D CB 0.557 41.338 40.800 -0.032 0.000 0.925 635 D HN -0.073 nan 8.370 nan 0.000 0.524 636 K N 0.207 120.700 120.400 0.156 0.000 2.259 636 K HA 0.312 4.633 4.320 0.001 0.000 0.249 636 K C 0.174 176.907 176.600 0.220 0.000 0.942 636 K CA -0.409 55.901 56.287 0.038 0.000 0.816 636 K CB 1.766 33.983 32.500 -0.471 0.000 1.155 636 K HN -0.128 nan 8.250 nan 0.000 0.428 637 Q N 0.287 120.177 119.800 0.152 0.000 2.396 637 Q HA 0.171 4.511 4.340 0.001 0.000 0.209 637 Q C -0.279 175.878 176.000 0.263 0.000 0.906 637 Q CA 0.197 56.147 55.803 0.245 0.000 0.927 637 Q CB 0.378 29.265 28.738 0.247 0.000 1.069 637 Q HN 0.308 nan 8.270 nan 0.000 0.523 638 L N -0.204 121.111 121.223 0.154 0.000 2.410 638 L HA 0.607 4.947 4.340 0.001 0.000 0.270 638 L C -2.119 174.794 176.870 0.072 0.000 0.983 638 L CA -0.466 54.483 54.840 0.181 0.000 0.822 638 L CB 1.229 43.357 42.059 0.114 0.000 1.285 638 L HN -0.008 nan 8.230 nan 0.000 0.409 639 W N 4.144 125.575 121.300 0.219 0.000 3.138 639 W HA 0.777 5.438 4.660 0.001 0.000 0.331 639 W C -1.312 175.403 176.519 0.328 0.000 1.166 639 W CA -0.778 56.691 57.345 0.206 0.000 1.212 639 W CB 2.264 31.787 29.460 0.105 0.000 1.399 639 W HN 0.280 nan 8.180 nan 0.000 0.514 640 V N 2.499 122.707 119.914 0.490 0.000 2.612 640 V HA 0.687 4.808 4.120 0.001 0.000 0.301 640 V C -0.218 176.102 176.094 0.377 0.000 1.059 640 V CA -0.813 61.742 62.300 0.426 0.000 0.886 640 V CB 1.463 33.438 31.823 0.254 0.000 1.007 640 V HN 0.582 nan 8.190 nan 0.000 0.426 641 T N 1.402 116.219 114.554 0.438 0.000 2.916 641 T HA 0.774 5.124 4.350 0.001 0.000 0.292 641 T C -0.374 174.459 174.700 0.223 0.000 1.064 641 T CA -0.954 61.346 62.100 0.332 0.000 1.011 641 T CB 2.115 71.212 68.868 0.382 0.000 1.152 641 T HN 0.527 nan 8.240 nan 0.000 0.510 642 R N 0.596 121.167 120.500 0.119 0.000 2.543 642 R HA 0.277 4.618 4.340 0.001 0.000 0.277 642 R C -0.763 175.393 176.300 -0.240 0.000 1.074 642 R CA -0.694 55.380 56.100 -0.042 0.000 1.076 642 R CB -0.491 29.754 30.300 -0.093 0.000 0.993 642 R HN 0.751 nan 8.270 nan 0.000 0.459 643 Y N 4.639 124.767 120.300 -0.287 0.000 2.717 643 Y HA 0.075 4.626 4.550 0.001 0.000 0.330 643 Y C -0.830 174.758 175.900 -0.520 0.000 1.217 643 Y CA 0.861 58.799 58.100 -0.270 0.000 1.506 643 Y CB 0.298 38.670 38.460 -0.147 0.000 1.268 643 Y HN 0.568 nan 8.280 nan 0.000 0.561 644 H N 7.713 126.274 119.070 -0.849 0.000 3.149 644 H HA 0.157 4.713 4.556 0.001 0.000 0.334 644 H C -2.043 172.819 175.328 -0.777 0.000 1.000 644 H CA -1.696 53.906 56.048 -0.743 0.000 1.415 644 H CB 1.800 31.353 29.762 -0.348 0.000 1.819 644 H HN 0.493 nan 8.280 nan 0.000 0.486 645 P HA -0.114 nan 4.420 nan 0.000 0.220 645 P C 1.200 178.373 177.300 -0.211 0.000 1.144 645 P CA 1.253 64.167 63.100 -0.309 0.000 0.800 645 P CB 0.207 31.829 31.700 -0.130 0.000 0.772 646 G N -0.510 108.168 108.800 -0.203 0.000 2.939 646 G HA2 -0.016 3.944 3.960 0.001 0.000 0.210 646 G HA3 -0.016 3.944 3.960 0.001 0.000 0.210 646 G C 0.387 175.143 174.900 -0.241 0.000 1.160 646 G CA -0.122 44.876 45.100 -0.170 0.000 0.770 646 G HN 0.299 nan 8.290 nan 0.000 0.543 647 E N 0.558 120.546 120.200 -0.353 0.000 2.035 647 E HA 0.410 4.760 4.350 0.001 0.000 0.271 647 E C 0.176 176.507 176.600 -0.448 0.000 0.953 647 E CA -0.347 55.657 56.400 -0.660 0.000 0.777 647 E CB 1.108 30.203 29.700 -1.008 0.000 1.104 647 E HN 0.234 nan 8.360 nan 0.000 0.408 648 R N 1.598 121.804 120.500 -0.490 0.000 2.556 648 R HA 0.194 4.534 4.340 0.001 0.000 0.276 648 R C -0.407 175.594 176.300 -0.498 0.000 0.931 648 R CA -0.062 55.684 56.100 -0.590 0.000 1.061 648 R CB 0.734 30.420 30.300 -1.023 0.000 1.432 648 R HN 0.233 nan 8.270 nan 0.000 0.547 649 F N 2.330 122.434 119.950 0.257 0.000 2.493 649 F HA 0.377 4.905 4.527 0.001 0.000 0.329 649 F C -1.543 174.268 175.800 0.019 0.000 1.126 649 F CA -3.104 54.972 58.000 0.126 0.000 0.937 649 F CB 1.460 40.444 39.000 -0.027 0.000 1.146 649 F HN -0.265 nan 8.300 nan 0.000 0.442 650 P HA -0.194 nan 4.420 nan 0.000 0.218 650 P C 0.738 177.558 177.300 -0.800 0.000 1.149 650 P CA 1.693 64.413 63.100 -0.635 0.000 0.817 650 P CB 0.286 31.442 31.700 -0.905 0.000 0.785 651 E N 0.348 120.167 120.200 -0.635 0.000 2.479 651 E HA 0.200 4.550 4.350 0.001 0.000 0.193 651 E C 0.854 177.325 176.600 -0.215 0.000 1.049 651 E CA 0.478 56.654 56.400 -0.373 0.000 0.870 651 E CB -0.414 29.154 29.700 -0.221 0.000 0.944 651 E HN 0.192 nan 8.360 nan 0.000 0.492 652 G N 1.862 110.566 108.800 -0.160 0.000 2.663 652 G HA2 -0.262 3.698 3.960 0.001 0.000 0.686 652 G HA3 -0.262 3.698 3.960 0.001 0.000 0.686 652 G C 0.061 174.941 174.900 -0.034 0.000 1.246 652 G CA -0.084 44.959 45.100 -0.094 0.000 0.795 652 G HN 0.131 nan 8.290 nan 0.000 0.627 653 K N -0.701 119.680 120.400 -0.032 0.000 2.097 653 K HA 0.013 4.333 4.320 0.001 0.000 0.205 653 K C 0.285 176.476 176.600 -0.682 0.000 1.050 653 K CA 1.431 57.533 56.287 -0.309 0.000 0.938 653 K CB -0.099 32.178 32.500 -0.373 0.000 0.718 653 K HN 0.496 nan 8.250 nan 0.000 0.442 654 Y N 0.433 120.700 120.300 -0.056 0.000 2.658 654 Y HA 0.251 4.801 4.550 0.001 0.000 0.362 654 Y C -1.980 173.877 175.900 -0.070 0.000 1.017 654 Y CA -2.395 55.665 58.100 -0.067 0.000 1.134 654 Y CB 1.395 39.827 38.460 -0.046 0.000 1.144 654 Y HN 0.120 nan 8.280 nan 0.000 0.655 655 P HA -0.093 nan 4.420 nan 0.000 0.233 655 P C 0.129 177.441 177.300 0.020 0.000 1.167 655 P CA 0.539 63.633 63.100 -0.011 0.000 0.770 655 P CB 0.479 32.157 31.700 -0.036 0.000 0.837 656 N N 1.897 120.621 118.700 0.040 0.000 2.416 656 N HA -0.023 4.718 4.740 0.001 0.000 0.271 656 N C 0.226 175.744 175.510 0.013 0.000 1.245 656 N CA 0.192 53.251 53.050 0.015 0.000 0.940 656 N CB -0.599 37.885 38.487 -0.006 0.000 1.175 656 N HN -0.071 nan 8.380 nan 0.000 0.483 657 R N 0.371 120.864 120.500 -0.013 0.000 3.776 657 R HA -0.166 4.175 4.340 0.001 0.000 0.312 657 R C -0.356 175.926 176.300 -0.029 0.000 1.181 657 R CA 0.816 56.907 56.100 -0.015 0.000 0.836 657 R CB -2.849 27.380 30.300 -0.119 0.000 1.324 657 R HN 0.740 nan 8.270 nan 0.000 0.501 658 S N -0.479 115.205 115.700 -0.025 0.000 2.563 658 S HA 0.108 4.579 4.470 0.001 0.000 0.284 658 S C 1.560 176.054 174.600 -0.177 0.000 1.331 658 S CA 0.235 58.389 58.200 -0.077 0.000 1.047 658 S CB 1.510 64.666 63.200 -0.074 0.000 0.859 658 S HN 0.341 nan 8.310 nan 0.000 0.514 659 T N -2.436 112.003 114.554 -0.191 0.000 3.037 659 T HA 0.155 4.505 4.350 0.001 0.000 0.252 659 T C 0.549 175.413 174.700 0.273 0.000 1.073 659 T CA 0.453 62.398 62.100 -0.258 0.000 1.091 659 T CB -0.501 68.185 68.868 -0.304 0.000 0.935 659 T HN 0.988 nan 8.240 nan 0.000 0.488 660 H N -1.017 118.054 119.070 0.002 0.000 3.037 660 H HA 0.462 5.018 4.556 0.001 0.000 0.355 660 H C -1.907 173.352 175.328 -0.116 0.000 1.263 660 H CA -1.124 54.905 56.048 -0.032 0.000 1.129 660 H CB 0.763 30.538 29.762 0.022 0.000 1.861 660 H HN -0.021 nan 8.280 nan 0.000 0.546 661 D N 1.587 121.840 120.400 -0.245 0.000 2.363 661 D HA 0.011 4.652 4.640 0.001 0.000 0.263 661 D C 0.650 176.739 176.300 -0.351 0.000 1.258 661 D CA 0.466 54.290 54.000 -0.293 0.000 0.907 661 D CB 0.633 41.282 40.800 -0.251 0.000 1.107 661 D HN 0.658 nan 8.370 nan 0.000 0.495 662 T N 0.536 114.843 114.554 -0.411 0.000 3.174 662 T HA 0.407 4.758 4.350 0.001 0.000 0.269 662 T C 0.863 175.259 174.700 -0.506 0.000 1.017 662 T CA -0.252 61.621 62.100 -0.378 0.000 0.899 662 T CB 0.759 69.444 68.868 -0.307 0.000 1.077 662 T HN 0.251 nan 8.240 nan 0.000 0.552 663 G N 1.221 109.619 108.800 -0.671 0.000 3.271 663 G HA2 0.490 4.451 3.960 0.001 0.000 0.174 663 G HA3 0.490 4.451 3.960 0.001 0.000 0.174 663 G C 0.779 174.674 174.900 -1.674 0.000 1.385 663 G CA -0.745 43.705 45.100 -1.084 0.000 0.979 663 G HN 0.278 nan 8.290 nan 0.000 0.610 664 L N 0.963 121.455 121.223 -1.219 0.000 2.187 664 L HA -0.050 4.290 4.340 0.001 0.000 0.213 664 L C 2.989 179.452 176.870 -0.677 0.000 1.100 664 L CA 1.144 55.326 54.840 -1.097 0.000 0.765 664 L CB -0.409 40.691 42.059 -1.598 0.000 0.904 664 L HN 0.575 nan 8.230 nan 0.000 0.437 665 G N -1.137 107.357 108.800 -0.510 0.000 2.408 665 G HA2 -0.292 3.669 3.960 0.001 0.000 0.217 665 G HA3 -0.292 3.669 3.960 0.001 0.000 0.217 665 G C 1.483 176.284 174.900 -0.166 0.000 1.150 665 G CA 0.575 45.567 45.100 -0.181 0.000 0.776 665 G HN 0.405 nan 8.290 nan 0.000 0.542 666 Q N -0.831 118.768 119.800 -0.335 0.000 2.083 666 Q HA -0.103 4.237 4.340 0.001 0.000 0.198 666 Q C 2.243 178.197 176.000 -0.078 0.000 0.969 666 Q CA 0.982 56.654 55.803 -0.217 0.000 0.838 666 Q CB -0.198 28.363 28.738 -0.295 0.000 0.900 666 Q HN 0.534 nan 8.270 nan 0.000 0.436 667 Y N 0.370 120.603 120.300 -0.112 0.000 2.333 667 Y HA -0.084 4.466 4.550 0.001 0.000 0.290 667 Y C 2.309 178.219 175.900 0.017 0.000 1.144 667 Y CA 1.165 59.225 58.100 -0.066 0.000 1.228 667 Y CB -0.370 37.990 38.460 -0.166 0.000 0.985 667 Y HN 0.258 nan 8.280 nan 0.000 0.542 668 S N -1.645 114.146 115.700 0.152 0.000 2.578 668 S HA 0.168 4.639 4.470 0.001 0.000 0.231 668 S C 1.511 176.194 174.600 0.138 0.000 0.994 668 S CA -0.340 57.968 58.200 0.181 0.000 0.956 668 S CB 0.162 63.521 63.200 0.266 0.000 0.870 668 S HN 0.120 nan 8.310 nan 0.000 0.494 669 K N 2.435 122.894 120.400 0.099 0.000 2.147 669 K HA -0.013 4.308 4.320 0.001 0.000 0.205 669 K C 0.923 177.571 176.600 0.080 0.000 1.049 669 K CA 1.632 57.967 56.287 0.080 0.000 0.936 669 K CB -0.321 32.213 32.500 0.056 0.000 0.722 669 K HN 0.296 nan 8.250 nan 0.000 0.446 670 D N 0.183 120.636 120.400 0.087 0.000 2.349 670 D HA -0.092 4.549 4.640 0.001 0.000 0.224 670 D C -0.411 175.941 176.300 0.085 0.000 1.029 670 D CA 0.266 54.314 54.000 0.080 0.000 0.879 670 D CB -0.438 40.410 40.800 0.080 0.000 0.906 670 D HN 0.416 nan 8.370 nan 0.000 0.528 671 N N 1.717 120.475 118.700 0.096 0.000 2.686 671 N HA -0.196 4.544 4.740 0.001 0.000 0.261 671 N C -0.565 175.001 175.510 0.092 0.000 1.001 671 N CA 0.050 53.156 53.050 0.094 0.000 0.764 671 N CB -0.280 38.251 38.487 0.074 0.000 0.898 671 N HN 0.327 nan 8.380 nan 0.000 0.544 672 E N 0.154 120.419 120.200 0.109 0.000 2.391 672 E HA 0.107 4.458 4.350 0.001 0.000 0.255 672 E C 0.249 176.906 176.600 0.095 0.000 1.187 672 E CA -0.344 56.118 56.400 0.104 0.000 0.941 672 E CB 0.708 30.486 29.700 0.129 0.000 1.010 672 E HN 0.277 nan 8.360 nan 0.000 0.458 673 S N 0.485 116.235 115.700 0.084 0.000 2.548 673 S HA 0.131 4.601 4.470 0.001 0.000 0.277 673 S C 0.265 174.911 174.600 0.077 0.000 1.315 673 S CA -0.418 57.827 58.200 0.074 0.000 1.050 673 S CB 0.129 63.366 63.200 0.063 0.000 0.918 673 S HN 0.404 nan 8.310 nan 0.000 0.497 674 L N 3.398 124.667 121.223 0.075 0.000 3.110 674 L HA 0.358 4.698 4.340 0.001 0.000 0.266 674 L C -0.198 176.709 176.870 0.062 0.000 1.257 674 L CA -0.216 54.670 54.840 0.077 0.000 1.038 674 L CB 0.281 42.394 42.059 0.090 0.000 1.395 674 L HN 0.571 nan 8.230 nan 0.000 0.566 675 D N 1.077 121.510 120.400 0.055 0.000 2.313 675 D HA 0.088 4.728 4.640 0.001 0.000 0.239 675 D C 0.678 177.002 176.300 0.039 0.000 1.142 675 D CA -0.037 53.990 54.000 0.045 0.000 0.847 675 D CB 0.414 41.240 40.800 0.043 0.000 1.082 675 D HN 0.177 nan 8.370 nan 0.000 0.480 676 N N 2.752 121.473 118.700 0.035 0.000 2.705 676 N HA -0.251 4.489 4.740 0.001 0.000 0.255 676 N C -1.276 174.251 175.510 0.028 0.000 1.008 676 N CA 0.727 53.794 53.050 0.028 0.000 0.742 676 N CB -0.426 38.075 38.487 0.023 0.000 0.906 676 N HN 0.450 nan 8.380 nan 0.000 0.541 677 T N -0.704 113.871 114.554 0.034 0.000 2.812 677 T HA 0.133 4.483 4.350 0.001 0.000 0.294 677 T C -1.595 173.126 174.700 0.035 0.000 1.159 677 T CA -0.634 61.486 62.100 0.034 0.000 1.008 677 T CB 1.489 70.382 68.868 0.042 0.000 1.289 677 T HN 0.188 nan 8.240 nan 0.000 0.514 678 D N 1.653 122.072 120.400 0.031 0.000 2.349 678 D HA 0.439 5.079 4.640 0.001 0.000 0.266 678 D C -0.110 176.230 176.300 0.066 0.000 1.293 678 D CA 0.095 54.112 54.000 0.029 0.000 0.926 678 D CB 0.394 41.200 40.800 0.009 0.000 1.090 678 D HN 0.715 nan 8.370 nan 0.000 0.502 679 A N 3.215 126.075 122.820 0.068 0.000 2.306 679 A HA 0.621 4.941 4.320 0.001 0.000 0.330 679 A C -0.630 177.015 177.584 0.101 0.000 1.146 679 A CA -0.628 51.468 52.037 0.097 0.000 0.827 679 A CB 1.468 20.525 19.000 0.095 0.000 1.178 679 A HN 0.359 nan 8.150 nan 0.000 0.490 680 V N 2.182 122.176 119.914 0.133 0.000 2.483 680 V HA 0.337 4.458 4.120 0.001 0.000 0.297 680 V C -0.390 175.742 176.094 0.063 0.000 1.027 680 V CA -0.512 61.815 62.300 0.045 0.000 0.855 680 V CB 1.490 33.327 31.823 0.023 0.000 0.995 680 V HN 0.671 nan 8.190 nan 0.000 0.424 681 V N 4.218 124.115 119.914 -0.029 0.000 2.509 681 V HA 0.445 4.566 4.120 0.001 0.000 0.284 681 V C -0.900 175.186 176.094 -0.013 0.000 1.047 681 V CA -0.389 61.967 62.300 0.093 0.000 0.952 681 V CB 1.482 33.354 31.823 0.082 0.000 0.988 681 V HN 0.900 nan 8.190 nan 0.000 0.469 682 W N 4.748 126.175 121.300 0.211 0.000 2.475 682 W HA 0.695 5.355 4.660 0.001 0.000 0.320 682 W C -0.248 176.445 176.519 0.291 0.000 1.022 682 W CA -0.600 56.879 57.345 0.224 0.000 1.240 682 W CB 1.129 30.694 29.460 0.175 0.000 1.328 682 W HN 0.277 nan 8.180 nan 0.000 0.439 683 M N 3.196 123.065 119.600 0.449 0.000 2.268 683 M HA 0.464 4.945 4.480 0.001 0.000 0.344 683 M C -0.218 176.342 176.300 0.433 0.000 1.106 683 M CA -0.213 55.323 55.300 0.394 0.000 1.010 683 M CB 1.707 34.483 32.600 0.294 0.000 1.649 683 M HN 0.222 nan 8.290 nan 0.000 0.443 684 T N 1.467 116.265 114.554 0.407 0.000 2.792 684 T HA 0.527 4.878 4.350 0.001 0.000 0.280 684 T C -0.449 174.443 174.700 0.320 0.000 0.990 684 T CA -0.489 61.835 62.100 0.375 0.000 0.960 684 T CB 1.595 70.708 68.868 0.409 0.000 0.939 684 T HN 0.706 nan 8.240 nan 0.000 0.439 685 T N 1.650 116.405 114.554 0.335 0.000 2.933 685 T HA 0.775 5.125 4.350 0.001 0.000 0.305 685 T C -0.568 174.343 174.700 0.352 0.000 1.092 685 T CA -0.287 62.011 62.100 0.331 0.000 1.008 685 T CB 1.362 70.457 68.868 0.378 0.000 1.102 685 T HN 0.882 nan 8.240 nan 0.000 0.469 686 G N 1.439 110.397 108.800 0.264 0.000 2.645 686 G HA2 0.724 4.685 3.960 0.001 0.000 0.292 686 G HA3 0.724 4.685 3.960 0.001 0.000 0.292 686 G C -0.804 174.207 174.900 0.185 0.000 1.415 686 G CA -0.200 45.046 45.100 0.244 0.000 0.785 686 G HN 1.048 nan 8.290 nan 0.000 0.483 687 T N -2.807 111.849 114.554 0.170 0.000 2.906 687 T HA 0.722 5.072 4.350 0.001 0.000 0.295 687 T C -0.713 173.983 174.700 -0.007 0.000 1.075 687 T CA -0.643 61.525 62.100 0.115 0.000 1.005 687 T CB 2.007 70.997 68.868 0.202 0.000 1.136 687 T HN 0.474 nan 8.240 nan 0.000 0.498 688 T N 1.765 116.274 114.554 -0.076 0.000 2.758 688 T HA 0.347 4.698 4.350 0.001 0.000 0.285 688 T C -0.795 173.759 174.700 -0.243 0.000 0.981 688 T CA -0.438 61.560 62.100 -0.169 0.000 0.965 688 T CB 0.153 68.940 68.868 -0.136 0.000 0.927 688 T HN 0.791 nan 8.240 nan 0.000 0.448 689 H N 3.234 121.986 119.070 -0.531 0.000 2.685 689 H HA 0.535 5.091 4.556 0.001 0.000 0.286 689 H C -0.960 174.094 175.328 -0.456 0.000 1.102 689 H CA -0.706 54.946 56.048 -0.661 0.000 1.254 689 H CB 0.423 29.695 29.762 -0.816 0.000 1.397 689 H HN 0.291 nan 8.280 nan 0.000 0.473 690 V N 5.184 125.064 119.914 -0.057 0.000 2.347 690 V HA 0.334 4.455 4.120 0.001 0.000 0.280 690 V C 0.571 176.702 176.094 0.062 0.000 1.021 690 V CA -0.556 61.707 62.300 -0.061 0.000 0.847 690 V CB 0.708 32.501 31.823 -0.051 0.000 0.990 690 V HN 0.917 nan 8.190 nan 0.000 0.444 691 A N 6.751 129.545 122.820 -0.043 0.000 2.366 691 A HA 0.753 5.073 4.320 0.001 0.000 0.250 691 A C 0.392 178.029 177.584 0.088 0.000 1.099 691 A CA -0.122 51.947 52.037 0.053 0.000 0.794 691 A CB 0.392 19.359 19.000 -0.055 0.000 1.056 691 A HN 1.002 nan 8.150 nan 0.000 0.499 692 R N -1.094 119.487 120.500 0.134 0.000 2.680 692 R HA 0.630 4.970 4.340 0.001 0.000 0.269 692 R C 0.378 176.749 176.300 0.118 0.000 1.026 692 R CA -0.229 55.932 56.100 0.101 0.000 0.889 692 R CB 1.184 31.550 30.300 0.110 0.000 1.241 692 R HN 0.750 nan 8.270 nan 0.000 0.463 693 A N 1.216 124.089 122.820 0.089 0.000 1.986 693 A HA -0.207 4.114 4.320 0.001 0.000 0.220 693 A C 1.437 179.111 177.584 0.150 0.000 1.171 693 A CA 1.946 54.052 52.037 0.115 0.000 0.640 693 A CB -0.632 18.413 19.000 0.074 0.000 0.811 693 A HN 0.847 nan 8.150 nan 0.000 0.451 694 E N 0.286 120.556 120.200 0.117 0.000 2.331 694 E HA -0.149 4.202 4.350 0.001 0.000 0.199 694 E C 1.260 177.929 176.600 0.115 0.000 1.008 694 E CA 1.319 57.779 56.400 0.100 0.000 0.843 694 E CB -0.179 29.566 29.700 0.076 0.000 0.761 694 E HN 0.814 nan 8.360 nan 0.000 0.507 695 E N -0.988 119.317 120.200 0.174 0.000 2.465 695 E HA 0.045 4.396 4.350 0.001 0.000 0.195 695 E C -0.283 176.474 176.600 0.262 0.000 1.028 695 E CA -0.273 56.242 56.400 0.193 0.000 0.899 695 E CB 0.406 30.268 29.700 0.271 0.000 1.032 695 E HN 0.180 nan 8.360 nan 0.000 0.468 696 W N 1.953 123.269 121.300 0.027 0.000 3.022 696 W HA 0.244 4.904 4.660 0.001 0.000 0.335 696 W C -2.301 174.231 176.519 0.021 0.000 1.133 696 W CA -2.103 55.253 57.345 0.018 0.000 1.219 696 W CB 1.690 31.162 29.460 0.020 0.000 1.409 696 W HN -0.157 nan 8.180 nan 0.000 0.507 697 P HA 0.031 nan 4.420 nan 0.000 0.230 697 P C 0.171 177.034 177.300 -0.729 0.000 1.158 697 P CA 0.991 63.277 63.100 -1.357 0.000 0.769 697 P CB 1.456 32.610 31.700 -0.910 0.000 0.807 698 I N -0.521 119.844 120.570 -0.342 0.000 2.686 698 I HA 0.363 4.533 4.170 0.001 0.000 0.295 698 I C -0.749 175.282 176.117 -0.143 0.000 1.114 698 I CA -1.787 59.340 61.300 -0.288 0.000 1.038 698 I CB 2.757 40.587 38.000 -0.283 0.000 1.238 698 I HN -0.278 nan 8.210 nan 0.000 0.420 699 M N 9.374 128.894 119.600 -0.134 0.000 2.144 699 M HA 0.536 5.017 4.480 0.001 0.000 0.356 699 M C -2.494 173.739 176.300 -0.113 0.000 1.217 699 M CA -1.355 53.907 55.300 -0.065 0.000 1.087 699 M CB 1.140 33.741 32.600 0.001 0.000 1.609 699 M HN 0.244 nan 8.290 nan 0.000 0.467 700 P HA 0.066 nan 4.420 nan 0.000 0.268 700 P C -0.933 176.274 177.300 -0.156 0.000 1.205 700 P CA 0.047 63.091 63.100 -0.094 0.000 0.771 700 P CB 0.448 32.115 31.700 -0.055 0.000 0.858 701 T N 3.833 118.287 114.554 -0.166 0.000 2.871 701 T HA 0.042 4.392 4.350 0.001 0.000 0.296 701 T C 0.228 174.737 174.700 -0.318 0.000 0.998 701 T CA 0.244 62.167 62.100 -0.296 0.000 1.162 701 T CB -0.157 68.557 68.868 -0.257 0.000 0.947 701 T HN 0.316 nan 8.240 nan 0.000 0.536 702 E N 2.338 122.246 120.200 -0.486 0.000 2.183 702 E HA 0.350 4.700 4.350 0.001 0.000 0.271 702 E C -0.881 175.422 176.600 -0.495 0.000 0.919 702 E CA -0.483 55.656 56.400 -0.434 0.000 0.781 702 E CB 1.610 30.928 29.700 -0.637 0.000 1.140 702 E HN 0.591 nan 8.360 nan 0.000 0.402 703 W N 1.323 122.478 121.300 -0.242 0.000 2.781 703 W HA 0.516 5.177 4.660 0.001 0.000 0.345 703 W C -0.328 175.950 176.519 -0.402 0.000 1.085 703 W CA -0.823 56.325 57.345 -0.329 0.000 1.198 703 W CB 1.387 30.639 29.460 -0.346 0.000 1.423 703 W HN 0.191 nan 8.180 nan 0.000 0.532 704 V N -0.638 119.133 119.914 -0.238 0.000 2.735 704 V HA 0.613 4.734 4.120 0.001 0.000 0.310 704 V C -0.822 175.018 176.094 -0.422 0.000 1.061 704 V CA -0.926 61.240 62.300 -0.222 0.000 0.913 704 V CB 1.755 33.584 31.823 0.009 0.000 1.005 704 V HN 0.635 nan 8.190 nan 0.000 0.428 705 H N 2.425 121.529 119.070 0.057 0.000 2.572 705 H HA 0.798 5.355 4.556 0.001 0.000 0.359 705 H C -0.201 175.098 175.328 -0.048 0.000 1.134 705 H CA 0.050 56.078 56.048 -0.034 0.000 1.187 705 H CB 2.380 32.097 29.762 -0.075 0.000 1.597 705 H HN 1.038 nan 8.280 nan 0.000 0.524 706 T N 0.082 114.632 114.554 -0.007 0.000 2.916 706 T HA 0.659 5.009 4.350 0.001 0.000 0.292 706 T C -0.834 173.790 174.700 -0.127 0.000 1.064 706 T CA -0.855 61.205 62.100 -0.066 0.000 1.011 706 T CB 2.000 70.795 68.868 -0.121 0.000 1.152 706 T HN 0.242 nan 8.240 nan 0.000 0.510 707 L N 0.602 121.752 121.223 -0.122 0.000 2.466 707 L HA 0.684 5.024 4.340 0.001 0.000 0.258 707 L C -1.755 175.059 176.870 -0.093 0.000 0.973 707 L CA -0.797 53.965 54.840 -0.130 0.000 0.826 707 L CB 2.272 44.272 42.059 -0.099 0.000 1.372 707 L HN 0.811 nan 8.230 nan 0.000 0.409 708 L N 3.868 125.047 121.223 -0.073 0.000 2.377 708 L HA 0.541 4.881 4.340 0.001 0.000 0.270 708 L C -0.786 176.148 176.870 0.107 0.000 0.991 708 L CA -0.617 54.261 54.840 0.063 0.000 0.851 708 L CB 1.488 43.596 42.059 0.082 0.000 1.218 708 L HN 0.488 nan 8.230 nan 0.000 0.420 709 K N 4.471 124.891 120.400 0.033 0.000 2.221 709 K HA 0.491 4.811 4.320 0.001 0.000 0.258 709 K C -2.568 173.758 176.600 -0.458 0.000 0.944 709 K CA -1.825 54.388 56.287 -0.124 0.000 0.823 709 K CB 1.999 34.482 32.500 -0.029 0.000 1.113 709 K HN 0.216 nan 8.250 nan 0.000 0.431 710 P HA -0.071 nan 4.420 nan 0.000 0.271 710 P C -0.965 176.187 177.300 -0.248 0.000 1.220 710 P CA -0.035 62.468 63.100 -0.994 0.000 0.768 710 P CB 0.542 31.899 31.700 -0.571 0.000 0.848 711 W N 6.020 127.147 121.300 -0.288 0.000 2.466 711 W HA 0.165 4.826 4.660 0.001 0.000 0.303 711 W C -0.332 176.164 176.519 -0.038 0.000 0.999 711 W CA -0.321 56.960 57.345 -0.107 0.000 1.437 711 W CB -0.040 29.375 29.460 -0.075 0.000 1.274 711 W HN 0.544 nan 8.180 nan 0.000 0.417 712 N N 3.331 121.974 118.700 -0.094 0.000 2.741 712 N HA -0.325 4.415 4.740 0.001 0.000 0.251 712 N C 0.381 175.892 175.510 0.001 0.000 1.112 712 N CA 1.529 54.556 53.050 -0.039 0.000 0.750 712 N CB -1.991 36.514 38.487 0.030 0.000 1.119 712 N HN 0.534 nan 8.380 nan 0.000 0.561 713 F N -0.041 119.779 119.950 -0.215 0.000 2.293 713 F HA 0.183 4.710 4.527 0.001 0.000 0.297 713 F C 0.751 176.200 175.800 -0.585 0.000 1.089 713 F CA 0.826 58.579 58.000 -0.412 0.000 1.377 713 F CB 0.197 38.822 39.000 -0.624 0.000 1.051 713 F HN -0.031 nan 8.300 nan 0.000 0.511 714 F N 0.070 120.028 119.950 0.013 0.000 2.518 714 F HA 0.278 4.805 4.527 0.001 0.000 0.338 714 F C 1.264 177.012 175.800 -0.088 0.000 1.065 714 F CA -0.945 57.016 58.000 -0.066 0.000 1.012 714 F CB 0.303 39.269 39.000 -0.057 0.000 1.297 714 F HN -0.302 nan 8.300 nan 0.000 0.489 715 D N -0.436 120.046 120.400 0.136 0.000 2.379 715 D HA 0.090 4.730 4.640 0.001 0.000 0.208 715 D C -0.017 176.287 176.300 0.006 0.000 1.065 715 D CA 0.534 54.553 54.000 0.031 0.000 0.848 715 D CB 0.582 41.387 40.800 0.009 0.000 0.949 715 D HN 0.744 nan 8.370 nan 0.000 0.509 716 E N -1.401 118.810 120.200 0.019 0.000 2.402 716 E HA 0.191 4.542 4.350 0.001 0.000 0.270 716 E C -1.141 175.419 176.600 -0.066 0.000 1.131 716 E CA -0.808 55.568 56.400 -0.040 0.000 0.884 716 E CB 0.206 29.875 29.700 -0.052 0.000 1.564 716 E HN -0.328 nan 8.360 nan 0.000 0.456 717 T N 2.773 117.265 114.554 -0.103 0.000 2.704 717 T HA 0.016 4.367 4.350 0.001 0.000 0.271 717 T C -1.814 172.806 174.700 -0.133 0.000 1.000 717 T CA -0.237 61.791 62.100 -0.119 0.000 1.216 717 T CB 0.029 68.795 68.868 -0.170 0.000 0.961 717 T HN 0.313 nan 8.240 nan 0.000 0.515 718 P HA -0.077 nan 4.420 nan 0.000 0.219 718 P C 1.433 178.624 177.300 -0.181 0.000 1.146 718 P CA 0.880 63.742 63.100 -0.397 0.000 0.808 718 P CB 0.039 31.332 31.700 -0.678 0.000 0.779 719 T N -4.801 109.734 114.554 -0.031 0.000 3.145 719 T HA 0.219 4.569 4.350 0.001 0.000 0.255 719 T C 1.442 176.221 174.700 0.132 0.000 1.039 719 T CA -0.188 61.944 62.100 0.054 0.000 0.928 719 T CB -0.886 68.043 68.868 0.101 0.000 1.029 719 T HN -0.012 nan 8.240 nan 0.000 0.554 720 L N 1.181 122.452 121.223 0.079 0.000 2.131 720 L HA 0.227 4.567 4.340 0.001 0.000 0.210 720 L C 1.606 178.511 176.870 0.058 0.000 1.092 720 L CA 1.312 56.200 54.840 0.081 0.000 0.759 720 L CB -0.828 41.221 42.059 -0.018 0.000 0.903 720 L HN 0.777 nan 8.230 nan 0.000 0.435 721 G N -1.671 107.138 108.800 0.015 0.000 2.497 721 G HA2 0.065 4.025 3.960 0.001 0.000 0.686 721 G HA3 0.065 4.025 3.960 0.001 0.000 0.686 721 G C -0.553 174.342 174.900 -0.009 0.000 1.288 721 G CA -0.665 44.435 45.100 0.000 0.000 0.899 721 G HN 0.342 nan 8.290 nan 0.000 0.608 722 A N -0.264 122.548 122.820 -0.013 0.000 2.520 722 A HA 0.534 4.854 4.320 0.001 0.000 0.245 722 A C 0.642 178.221 177.584 -0.008 0.000 1.072 722 A CA 0.299 52.328 52.037 -0.012 0.000 0.761 722 A CB 0.601 19.593 19.000 -0.014 0.000 1.004 722 A HN 2.023 nan 8.150 nan 0.000 0.499 723 L N 2.621 123.840 121.223 -0.008 0.000 2.477 723 L HA 0.127 4.467 4.340 0.001 0.000 0.272 723 L C 1.523 178.389 176.870 -0.007 0.000 1.157 723 L CA 0.569 55.405 54.840 -0.008 0.000 0.889 723 L CB 0.263 42.317 42.059 -0.009 0.000 1.158 723 L HN 0.884 nan 8.230 nan 0.000 0.473 724 K N 3.455 123.851 120.400 -0.006 0.000 2.148 724 K HA -0.034 4.286 4.320 0.001 0.000 0.204 724 K C 0.180 176.776 176.600 -0.006 0.000 1.050 724 K CA 1.216 57.499 56.287 -0.006 0.000 0.942 724 K CB 0.317 32.814 32.500 -0.005 0.000 0.724 724 K HN 0.625 nan 8.250 nan 0.000 0.446 725 K N 0.000 120.396 120.400 -0.007 0.000 2.780 725 K HA 0.000 4.320 4.320 0.001 0.000 0.191 725 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 725 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543