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 2v8k_1_A DATA FIRST_RESID 4 DATA SEQUENCE DRLTVVKQYV DNVLNKASDT YHGDKPSPLL ADGVDPRTGQ QLEWIFPDGR DATA SEQUENCE RAVLSNFSAQ QNLMRVMSGL SQLSGDPRYQ KRAEDIVRYH FQNYQDPSGL DATA SEQUENCE LYWGGHRFVD LKTLQPEGPS EKEMVHELKN AYPYYDLMFS VDSDATARFI DATA SEQUENCE RGFWNAHVYD WRILETSRHG EYGKPMGALW ESKFEQQPPF FATKGLSFLN DATA SEQUENCE AGNDLIYSAS LLYKHQQDQG ALTWAKRLAD QYVLPRDAKT GLGVYQFTQA DATA SEQUENCE LKREEPTDDA DTHSKFGDRA QRQFGPEFGP TALEGNMMLK GRTSTLYSEN DATA SEQUENCE ALMQLQLGKD LGPQGQDLLK WTVDGLKAFA KYAYNDQDNT FRPMIANGQD DATA SEQUENCE LSNYTLPRDG YYGKKGTVLK PYKAGNEFLI SYARAYAIDN DPLLWKVARG DATA SEQUENCE IANDQGLGDI GTAPGKEVKV NMDTTNSDPY ALFALLDLYH ASQVADYRKL DATA SEQUENCE AEKIGDNIIK IRYIDGFFMA SSDRQYADVD AIEPYALLAL EASLRNKPQA DATA SEQUENCE VAPFLNGAGF TEGAYRMDDG SARVSTRDNE LFLLNVGEKL QPN 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.268 176.300 -0.053 0.000 2.045 4 D CA 0.000 53.980 54.000 -0.034 0.000 0.868 4 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 5 R N 2.903 123.366 120.500 -0.062 0.000 2.115 5 R HA -0.041 4.298 4.340 -0.002 0.000 0.230 5 R C 1.374 177.623 176.300 -0.085 0.000 1.111 5 R CA 0.716 56.765 56.100 -0.085 0.000 0.976 5 R CB -0.280 29.964 30.300 -0.094 0.000 0.870 5 R HN 0.408 nan 8.270 nan 0.000 0.445 6 L N 1.849 123.033 121.223 -0.064 0.000 2.056 6 L HA -0.051 4.287 4.340 -0.002 0.000 0.207 6 L C 1.909 178.747 176.870 -0.052 0.000 1.078 6 L CA 2.009 56.815 54.840 -0.056 0.000 0.749 6 L CB -0.564 41.474 42.059 -0.036 0.000 0.901 6 L HN 0.211 nan 8.230 nan 0.000 0.433 7 T N -1.221 113.308 114.554 -0.041 0.000 2.684 7 T HA -0.201 4.148 4.350 -0.002 0.000 0.267 7 T C 1.976 176.645 174.700 -0.051 0.000 1.036 7 T CA 1.746 63.828 62.100 -0.030 0.000 1.148 7 T CB -0.490 68.368 68.868 -0.017 0.000 0.863 7 T HN 0.185 nan 8.240 nan 0.000 0.436 8 V N 1.174 121.029 119.914 -0.099 0.000 2.287 8 V HA -0.161 3.957 4.120 -0.002 0.000 0.248 8 V C 2.687 178.693 176.094 -0.146 0.000 1.053 8 V CA 1.436 63.608 62.300 -0.213 0.000 1.027 8 V CB -0.707 30.903 31.823 -0.356 0.000 0.646 8 V HN 0.326 nan 8.190 nan 0.000 0.447 9 V N -0.242 119.629 119.914 -0.072 0.000 2.407 9 V HA -0.289 3.830 4.120 -0.002 0.000 0.248 9 V C 2.390 178.478 176.094 -0.011 0.000 1.055 9 V CA 2.320 64.630 62.300 0.017 0.000 1.049 9 V CB -0.686 31.107 31.823 -0.049 0.000 0.662 9 V HN 0.553 nan 8.190 nan 0.000 0.455 10 K N 0.474 120.821 120.400 -0.088 0.000 2.009 10 K HA -0.277 4.041 4.320 -0.002 0.000 0.210 10 K C 2.387 178.948 176.600 -0.066 0.000 1.049 10 K CA 2.083 58.281 56.287 -0.148 0.000 0.929 10 K CB -0.206 32.255 32.500 -0.065 0.000 0.714 10 K HN 0.744 nan 8.250 nan 0.000 0.440 11 Q N -0.732 119.069 119.800 0.002 0.000 2.124 11 Q HA -0.250 4.088 4.340 -0.002 0.000 0.202 11 Q C 2.106 178.129 176.000 0.038 0.000 0.977 11 Q CA 1.588 57.415 55.803 0.040 0.000 0.850 11 Q CB -0.747 28.038 28.738 0.079 0.000 0.901 11 Q HN 0.463 nan 8.270 nan 0.000 0.429 12 Y N 2.025 122.296 120.300 -0.048 0.000 2.128 12 Y HA -0.198 4.351 4.550 -0.002 0.000 0.284 12 Y C 2.094 177.914 175.900 -0.134 0.000 1.154 12 Y CA 1.681 59.736 58.100 -0.075 0.000 1.149 12 Y CB -0.329 38.171 38.460 0.067 0.000 0.976 12 Y HN -0.031 nan 8.280 nan 0.000 0.505 13 V N 0.656 120.371 119.914 -0.332 0.000 2.626 13 V HA -0.225 3.893 4.120 -0.002 0.000 0.252 13 V C 1.917 177.899 176.094 -0.187 0.000 1.067 13 V CA 1.941 64.011 62.300 -0.383 0.000 1.081 13 V CB -0.653 30.977 31.823 -0.321 0.000 0.686 13 V HN 0.373 nan 8.190 nan 0.000 0.468 14 D N 0.350 120.701 120.400 -0.083 0.000 2.117 14 D HA -0.125 4.514 4.640 -0.002 0.000 0.198 14 D C 2.092 178.356 176.300 -0.060 0.000 0.982 14 D CA 1.033 55.046 54.000 0.022 0.000 0.828 14 D CB -0.345 40.493 40.800 0.062 0.000 0.967 14 D HN 0.350 nan 8.370 nan 0.000 0.464 15 N N 0.441 119.040 118.700 -0.168 0.000 2.069 15 N HA -0.116 4.622 4.740 -0.002 0.000 0.191 15 N C 2.109 177.505 175.510 -0.189 0.000 1.031 15 N CA 0.573 53.497 53.050 -0.211 0.000 0.852 15 N CB -0.569 37.656 38.487 -0.435 0.000 1.018 15 N HN 0.066 nan 8.380 nan 0.000 0.423 16 V N 2.033 121.713 119.914 -0.390 0.000 2.252 16 V HA -0.215 3.903 4.120 -0.002 0.000 0.249 16 V C 2.354 178.456 176.094 0.014 0.000 1.056 16 V CA 1.425 63.639 62.300 -0.144 0.000 1.022 16 V CB -0.613 31.030 31.823 -0.300 0.000 0.641 16 V HN 0.272 nan 8.190 nan 0.000 0.445 17 L N 0.140 121.357 121.223 -0.011 0.000 2.362 17 L HA -0.116 4.222 4.340 -0.002 0.000 0.219 17 L C 2.289 179.185 176.870 0.044 0.000 1.134 17 L CA 1.297 56.161 54.840 0.041 0.000 0.807 17 L CB -0.631 41.465 42.059 0.061 0.000 0.927 17 L HN 0.443 nan 8.230 nan 0.000 0.447 18 N N 0.279 119.004 118.700 0.042 0.000 2.182 18 N HA -0.112 4.626 4.740 -0.002 0.000 0.186 18 N C 1.757 177.315 175.510 0.079 0.000 1.036 18 N CA 1.246 54.326 53.050 0.050 0.000 0.850 18 N CB 0.199 38.712 38.487 0.044 0.000 1.010 18 N HN -0.019 nan 8.380 nan 0.000 0.432 19 K N 0.010 120.495 120.400 0.142 0.000 2.243 19 K HA 0.199 4.518 4.320 -0.002 0.000 0.201 19 K C 1.240 177.944 176.600 0.172 0.000 1.051 19 K CA 0.749 57.145 56.287 0.181 0.000 0.970 19 K CB 0.027 32.717 32.500 0.317 0.000 0.755 19 K HN 0.249 nan 8.250 nan 0.000 0.465 20 A N 1.857 124.794 122.820 0.196 0.000 2.275 20 A HA 0.049 4.368 4.320 -0.002 0.000 0.212 20 A C 0.964 178.636 177.584 0.146 0.000 1.201 20 A CA -0.102 52.047 52.037 0.185 0.000 0.843 20 A CB -0.176 18.956 19.000 0.221 0.000 0.873 20 A HN 0.282 nan 8.150 nan 0.000 0.492 21 S N -0.282 115.480 115.700 0.103 0.000 2.632 21 S HA 0.285 4.754 4.470 -0.002 0.000 0.267 21 S C -0.195 174.447 174.600 0.070 0.000 1.276 21 S CA -0.431 57.814 58.200 0.074 0.000 0.998 21 S CB 0.742 63.966 63.200 0.039 0.000 0.953 21 S HN 0.239 nan 8.310 nan 0.000 0.547 22 D N 0.814 121.261 120.400 0.078 0.000 2.349 22 D HA 0.133 4.772 4.640 -0.002 0.000 0.266 22 D C 1.010 177.305 176.300 -0.009 0.000 1.293 22 D CA 0.124 54.206 54.000 0.138 0.000 0.926 22 D CB 0.350 41.236 40.800 0.144 0.000 1.090 22 D HN 0.676 nan 8.370 nan 0.000 0.502 23 T N 1.031 115.385 114.554 -0.334 0.000 3.176 23 T HA 0.096 4.444 4.350 -0.002 0.000 0.263 23 T C 0.766 175.118 174.700 -0.580 0.000 1.021 23 T CA -0.204 61.606 62.100 -0.483 0.000 0.905 23 T CB -0.415 68.134 68.868 -0.531 0.000 1.057 23 T HN 0.319 nan 8.240 nan 0.000 0.558 24 Y N 0.115 120.432 120.300 0.028 0.000 2.481 24 Y HA 0.388 4.936 4.550 -0.002 0.000 0.247 24 Y C 0.861 176.486 175.900 -0.458 0.000 1.151 24 Y CA -0.746 57.243 58.100 -0.184 0.000 1.238 24 Y CB 0.095 38.423 38.460 -0.220 0.000 1.179 24 Y HN 0.424 nan 8.280 nan 0.000 0.524 25 H N -1.117 118.017 119.070 0.106 0.000 2.575 25 H HA 0.465 5.012 4.556 -0.015 0.000 0.256 25 H C 1.284 176.634 175.328 0.037 0.000 1.162 25 H CA -0.284 55.812 56.048 0.079 0.000 0.969 25 H CB 0.391 30.204 29.762 0.085 0.000 1.796 25 H HN 0.331 nan 8.280 nan 0.000 0.607 26 G N 1.934 110.772 108.800 0.064 0.000 2.536 26 G HA2 -0.391 3.568 3.960 -0.002 0.000 0.280 26 G HA3 -0.391 3.568 3.960 -0.002 0.000 0.280 26 G C 0.617 175.537 174.900 0.034 0.000 1.152 26 G CA 0.523 45.645 45.100 0.035 0.000 0.970 26 G HN 0.518 nan 8.290 nan 0.000 0.549 27 D N 0.418 120.838 120.400 0.034 0.000 2.427 27 D HA 0.421 5.059 4.640 -0.002 0.000 0.224 27 D C 0.784 177.103 176.300 0.031 0.000 1.157 27 D CA 0.116 54.130 54.000 0.024 0.000 0.828 27 D CB 0.572 41.381 40.800 0.015 0.000 0.974 27 D HN 0.313 nan 8.370 nan 0.000 0.498 28 K N 1.831 122.263 120.400 0.053 0.000 2.961 28 K HA 0.307 4.625 4.320 -0.002 0.000 0.187 28 K C -2.530 174.103 176.600 0.056 0.000 1.110 28 K CA -1.605 54.713 56.287 0.051 0.000 0.968 28 K CB 1.182 33.718 32.500 0.060 0.000 1.287 28 K HN 0.153 nan 8.250 nan 0.000 0.578 29 P HA 0.093 nan 4.420 nan 0.000 0.277 29 P C -0.129 177.113 177.300 -0.096 0.000 1.240 29 P CA -0.385 62.724 63.100 0.015 0.000 0.798 29 P CB 1.287 32.994 31.700 0.012 0.000 0.979 30 S N 1.712 117.289 115.700 -0.206 0.000 2.600 30 S HA 0.218 4.687 4.470 -0.002 0.000 0.265 30 S C -1.473 172.916 174.600 -0.352 0.000 1.325 30 S CA -0.796 57.121 58.200 -0.471 0.000 1.002 30 S CB -0.231 62.554 63.200 -0.692 0.000 0.921 30 S HN 0.410 nan 8.310 nan 0.000 0.554 31 P HA 0.219 nan 4.420 nan 0.000 0.249 31 P C -0.094 177.114 177.300 -0.154 0.000 1.229 31 P CA -0.136 62.831 63.100 -0.222 0.000 0.788 31 P CB -0.071 31.522 31.700 -0.178 0.000 1.072 32 L N 0.175 121.275 121.223 -0.205 0.000 2.472 32 L HA 0.150 4.488 4.340 -0.002 0.000 0.260 32 L C 0.743 177.646 176.870 0.055 0.000 1.209 32 L CA 0.250 55.057 54.840 -0.055 0.000 0.817 32 L CB -0.157 41.868 42.059 -0.058 0.000 1.106 32 L HN -0.103 nan 8.230 nan 0.000 0.479 33 L N 1.291 122.592 121.223 0.130 0.000 2.381 33 L HA 0.663 5.001 4.340 -0.002 0.000 0.268 33 L C -0.228 176.757 176.870 0.190 0.000 0.997 33 L CA -1.004 53.932 54.840 0.161 0.000 0.818 33 L CB 1.810 43.973 42.059 0.174 0.000 1.310 33 L HN 0.671 nan 8.230 nan 0.000 0.416 34 A N 0.805 123.741 122.820 0.193 0.000 2.440 34 A HA 0.173 4.492 4.320 -0.002 0.000 0.251 34 A C 0.411 178.115 177.584 0.201 0.000 1.089 34 A CA -0.296 51.855 52.037 0.190 0.000 0.779 34 A CB 0.192 19.306 19.000 0.189 0.000 1.022 34 A HN 0.842 nan 8.150 nan 0.000 0.492 35 D N 1.576 122.091 120.400 0.192 0.000 2.144 35 D HA 0.075 4.714 4.640 -0.002 0.000 0.199 35 D C 1.024 177.541 176.300 0.363 0.000 0.984 35 D CA 2.146 56.295 54.000 0.249 0.000 0.834 35 D CB 0.047 40.991 40.800 0.241 0.000 0.955 35 D HN 0.702 nan 8.370 nan 0.000 0.465 36 G N -1.005 107.976 108.800 0.302 0.000 2.591 36 G HA2 0.565 4.524 3.960 -0.002 0.000 0.306 36 G HA3 0.565 4.524 3.960 -0.002 0.000 0.306 36 G C -1.386 173.633 174.900 0.199 0.000 1.334 36 G CA -0.422 44.894 45.100 0.361 0.000 0.981 36 G HN -0.042 nan 8.290 nan 0.000 0.491 37 V N 1.407 121.424 119.914 0.171 0.000 2.733 37 V HA 0.331 4.450 4.120 -0.002 0.000 0.306 37 V C -1.069 175.004 176.094 -0.036 0.000 1.084 37 V CA -1.011 61.297 62.300 0.013 0.000 0.905 37 V CB 2.057 33.734 31.823 -0.244 0.000 1.010 37 V HN 0.801 nan 8.190 nan 0.000 0.424 38 D N 6.756 127.173 120.400 0.029 0.000 2.338 38 D HA 0.194 4.833 4.640 -0.002 0.000 0.255 38 D C -1.339 174.828 176.300 -0.222 0.000 1.237 38 D CA -1.735 52.170 54.000 -0.159 0.000 0.883 38 D CB 2.054 42.722 40.800 -0.219 0.000 1.087 38 D HN 0.267 nan 8.370 nan 0.000 0.485 39 P HA -0.069 nan 4.420 nan 0.000 0.226 39 P C 1.037 178.299 177.300 -0.064 0.000 1.153 39 P CA 0.616 63.577 63.100 -0.233 0.000 0.777 39 P CB 0.521 32.157 31.700 -0.107 0.000 0.794 40 R N 0.154 120.606 120.500 -0.081 0.000 2.066 40 R HA -0.032 4.306 4.340 -0.002 0.000 0.232 40 R C 2.257 178.536 176.300 -0.035 0.000 1.131 40 R CA 2.259 58.328 56.100 -0.053 0.000 0.955 40 R CB -0.987 29.272 30.300 -0.069 0.000 0.851 40 R HN 0.325 nan 8.270 nan 0.000 0.432 41 T N -4.927 109.600 114.554 -0.045 0.000 2.959 41 T HA 0.276 4.625 4.350 -0.002 0.000 0.254 41 T C 1.373 176.072 174.700 -0.002 0.000 1.003 41 T CA 0.312 62.399 62.100 -0.022 0.000 0.950 41 T CB 1.205 70.056 68.868 -0.027 0.000 1.090 41 T HN 0.362 nan 8.240 nan 0.000 0.503 42 G N 1.463 110.257 108.800 -0.010 0.000 2.159 42 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.256 42 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.256 42 G C -0.027 174.898 174.900 0.042 0.000 0.977 42 G CA 0.211 45.322 45.100 0.018 0.000 0.652 42 G HN 0.893 nan 8.290 nan 0.000 0.531 43 Q N 1.167 120.994 119.800 0.046 0.000 2.271 43 Q HA 0.465 4.804 4.340 -0.002 0.000 0.273 43 Q C 0.614 176.712 176.000 0.163 0.000 1.051 43 Q CA 0.432 56.297 55.803 0.103 0.000 0.901 43 Q CB 0.249 29.047 28.738 0.100 0.000 1.174 43 Q HN 0.601 nan 8.270 nan 0.000 0.385 44 Q N 2.762 122.661 119.800 0.166 0.000 2.288 44 Q HA 0.235 4.574 4.340 -0.002 0.000 0.254 44 Q C -0.623 175.435 176.000 0.097 0.000 0.932 44 Q CA -0.742 55.155 55.803 0.157 0.000 0.902 44 Q CB 0.981 29.835 28.738 0.193 0.000 1.203 44 Q HN 0.645 nan 8.270 nan 0.000 0.415 45 L N 2.540 123.733 121.223 -0.049 0.000 2.499 45 L HA 0.013 4.352 4.340 -0.002 0.000 0.273 45 L C -0.512 176.253 176.870 -0.176 0.000 1.195 45 L CA 1.117 55.737 54.840 -0.368 0.000 0.882 45 L CB 0.305 41.958 42.059 -0.676 0.000 1.133 45 L HN 0.566 nan 8.230 nan 0.000 0.483 46 E N 4.481 124.585 120.200 -0.161 0.000 2.256 46 E HA 0.221 4.569 4.350 -0.002 0.000 0.267 46 E C -1.519 175.090 176.600 0.016 0.000 0.892 46 E CA -0.638 55.747 56.400 -0.025 0.000 0.775 46 E CB 1.499 31.205 29.700 0.011 0.000 1.207 46 E HN 0.594 nan 8.360 nan 0.000 0.420 47 W N 4.716 125.943 121.300 -0.121 0.000 2.338 47 W HA 0.390 5.048 4.660 -0.004 0.000 0.307 47 W C -1.102 175.272 176.519 -0.241 0.000 1.167 47 W CA -0.514 56.737 57.345 -0.157 0.000 1.208 47 W CB 0.609 29.899 29.460 -0.284 0.000 1.228 47 W HN 0.480 nan 8.180 nan 0.000 0.499 48 I N 7.329 127.449 120.570 -0.751 0.000 2.307 48 I HA 0.135 4.303 4.170 -0.002 0.000 0.289 48 I C -0.157 175.658 176.117 -0.503 0.000 1.021 48 I CA -0.655 60.289 61.300 -0.593 0.000 1.224 48 I CB 0.243 37.771 38.000 -0.787 0.000 1.376 48 I HN 0.098 nan 8.210 nan 0.000 0.470 49 F N 7.968 127.916 119.950 -0.003 0.000 2.459 49 F HA 0.204 4.735 4.527 0.008 0.000 0.346 49 F C -0.905 174.892 175.800 -0.005 0.000 1.128 49 F CA -1.338 56.724 58.000 0.103 0.000 1.268 49 F CB 0.056 39.141 39.000 0.142 0.000 1.161 49 F HN 0.381 nan 8.300 nan 0.000 0.583 50 P HA -0.292 nan 4.420 nan 0.000 0.226 50 P C 0.659 178.008 177.300 0.082 0.000 1.154 50 P CA 2.151 65.322 63.100 0.118 0.000 0.901 50 P CB -0.157 31.635 31.700 0.153 0.000 0.788 51 D N -2.660 117.804 120.400 0.107 0.000 2.336 51 D HA 0.107 4.745 4.640 -0.002 0.000 0.228 51 D C 1.255 177.582 176.300 0.046 0.000 1.120 51 D CA 0.493 54.528 54.000 0.058 0.000 0.839 51 D CB -0.507 40.317 40.800 0.040 0.000 0.932 51 D HN 0.306 nan 8.370 nan 0.000 0.509 52 G N 1.530 110.359 108.800 0.047 0.000 2.199 52 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.254 52 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.254 52 G C 0.359 175.284 174.900 0.041 0.000 0.982 52 G CA 0.015 45.124 45.100 0.016 0.000 0.632 52 G HN 0.543 nan 8.290 nan 0.000 0.529 53 R N 0.798 121.358 120.500 0.100 0.000 2.438 53 R HA 0.519 4.857 4.340 -0.002 0.000 0.287 53 R C 0.138 176.566 176.300 0.213 0.000 1.077 53 R CA -0.389 55.782 56.100 0.118 0.000 1.034 53 R CB 0.259 30.601 30.300 0.069 0.000 0.993 53 R HN 0.315 nan 8.270 nan 0.000 0.459 54 R N 2.353 122.937 120.500 0.140 0.000 2.294 54 R HA 0.401 4.739 4.340 -0.002 0.000 0.319 54 R C -0.903 175.512 176.300 0.191 0.000 0.984 54 R CA -0.418 55.768 56.100 0.143 0.000 0.861 54 R CB 2.015 32.347 30.300 0.054 0.000 1.104 54 R HN 0.609 nan 8.270 nan 0.000 0.451 55 A N 2.861 125.869 122.820 0.313 0.000 2.330 55 A HA 0.460 4.778 4.320 -0.002 0.000 0.327 55 A C -0.439 177.282 177.584 0.228 0.000 1.155 55 A CA -0.697 51.540 52.037 0.335 0.000 0.803 55 A CB 1.379 20.788 19.000 0.682 0.000 1.208 55 A HN 0.488 nan 8.150 nan 0.000 0.477 56 V N 3.292 123.279 119.914 0.122 0.000 2.427 56 V HA 0.095 4.213 4.120 -0.002 0.000 0.268 56 V C 0.215 176.394 176.094 0.140 0.000 1.046 56 V CA -0.229 62.123 62.300 0.088 0.000 0.970 56 V CB 0.777 32.622 31.823 0.037 0.000 1.001 56 V HN 0.758 nan 8.190 nan 0.000 0.476 57 L N 5.817 127.050 121.223 0.016 0.000 2.565 57 L HA 0.203 4.542 4.340 -0.002 0.000 0.275 57 L C 0.585 177.471 176.870 0.027 0.000 1.137 57 L CA 1.106 55.846 54.840 -0.167 0.000 0.915 57 L CB 0.704 42.569 42.059 -0.324 0.000 1.232 57 L HN 0.650 nan 8.230 nan 0.000 0.473 58 S N 5.029 120.829 115.700 0.166 0.000 2.532 58 S HA 0.400 4.869 4.470 -0.002 0.000 0.256 58 S C -0.612 174.159 174.600 0.285 0.000 1.298 58 S CA -0.743 57.589 58.200 0.220 0.000 1.166 58 S CB -0.215 63.115 63.200 0.217 0.000 1.022 58 S HN 0.706 nan 8.310 nan 0.000 0.480 59 N N 4.098 122.939 118.700 0.235 0.000 2.564 59 N HA 0.253 4.992 4.740 -0.002 0.000 0.248 59 N C 0.266 175.950 175.510 0.291 0.000 0.986 59 N CA -0.713 52.493 53.050 0.260 0.000 0.921 59 N CB 0.383 38.931 38.487 0.101 0.000 1.136 59 N HN 0.525 nan 8.380 nan 0.000 0.509 60 F N 3.069 123.138 119.950 0.198 0.000 2.269 60 F HA -0.133 4.394 4.527 0.000 0.000 0.301 60 F C 2.307 178.178 175.800 0.118 0.000 1.082 60 F CA 1.417 59.486 58.000 0.116 0.000 1.360 60 F CB -0.282 38.585 39.000 -0.222 0.000 1.041 60 F HN 0.580 nan 8.300 nan 0.000 0.512 61 S N -0.192 115.524 115.700 0.026 0.000 2.447 61 S HA -0.023 4.445 4.470 -0.002 0.000 0.233 61 S C 1.821 176.222 174.600 -0.333 0.000 1.006 61 S CA 0.664 58.538 58.200 -0.542 0.000 0.957 61 S CB -0.763 61.917 63.200 -0.867 0.000 0.773 61 S HN 0.306 nan 8.310 nan 0.000 0.507 62 A N 0.163 122.902 122.820 -0.134 0.000 2.415 62 A HA 0.425 4.744 4.320 -0.002 0.000 0.248 62 A C 1.246 178.821 177.584 -0.014 0.000 1.299 62 A CA -0.421 51.580 52.037 -0.059 0.000 0.899 62 A CB -0.078 18.930 19.000 0.014 0.000 0.997 62 A HN 0.602 nan 8.150 nan 0.000 0.506 63 Q N -0.810 118.956 119.800 -0.057 0.000 2.112 63 Q HA 0.116 4.454 4.340 -0.002 0.000 0.222 63 Q C 0.546 176.489 176.000 -0.096 0.000 0.798 63 Q CA -0.176 55.628 55.803 0.001 0.000 1.060 63 Q CB 0.557 29.395 28.738 0.167 0.000 1.184 63 Q HN 0.471 nan 8.270 nan 0.000 0.475 64 Q N -0.019 119.677 119.800 -0.173 0.000 2.424 64 Q HA 0.082 4.421 4.340 -0.002 0.000 0.204 64 Q C 1.118 177.072 176.000 -0.076 0.000 0.933 64 Q CA 0.494 56.192 55.803 -0.174 0.000 0.929 64 Q CB 0.378 28.972 28.738 -0.240 0.000 1.037 64 Q HN 0.395 nan 8.270 nan 0.000 0.511 65 N N 0.750 119.444 118.700 -0.009 0.000 2.207 65 N HA -0.091 4.648 4.740 -0.002 0.000 0.182 65 N C 1.842 177.335 175.510 -0.030 0.000 1.020 65 N CA 0.468 53.556 53.050 0.062 0.000 0.858 65 N CB -0.016 38.590 38.487 0.199 0.000 0.991 65 N HN 0.138 nan 8.380 nan 0.000 0.427 66 L N 1.491 122.729 121.223 0.026 0.000 2.012 66 L HA -0.078 4.260 4.340 -0.002 0.000 0.210 66 L C 2.123 179.011 176.870 0.030 0.000 1.073 66 L CA 1.465 56.338 54.840 0.054 0.000 0.748 66 L CB -0.572 41.556 42.059 0.114 0.000 0.891 66 L HN 0.024 nan 8.230 nan 0.000 0.431 67 M N -0.656 118.975 119.600 0.052 0.000 2.108 67 M HA -0.220 4.258 4.480 -0.002 0.000 0.261 67 M C 2.438 178.787 176.300 0.083 0.000 1.066 67 M CA 1.689 57.077 55.300 0.147 0.000 1.107 67 M CB -1.271 31.468 32.600 0.231 0.000 1.356 67 M HN 0.289 nan 8.290 nan 0.000 0.406 68 R N -0.752 119.606 120.500 -0.238 0.000 2.092 68 R HA -0.066 4.272 4.340 -0.002 0.000 0.231 68 R C 2.272 178.319 176.300 -0.422 0.000 1.119 68 R CA 1.064 56.803 56.100 -0.601 0.000 0.970 68 R CB -0.488 29.261 30.300 -0.919 0.000 0.864 68 R HN 0.209 nan 8.270 nan 0.000 0.440 69 V N 1.258 120.959 119.914 -0.354 0.000 2.343 69 V HA -0.271 3.847 4.120 -0.002 0.000 0.247 69 V C 2.285 178.319 176.094 -0.099 0.000 1.051 69 V CA 1.809 63.968 62.300 -0.235 0.000 1.036 69 V CB -0.347 31.409 31.823 -0.112 0.000 0.654 69 V HN 0.317 nan 8.190 nan 0.000 0.451 70 M N -0.480 119.112 119.600 -0.013 0.000 2.117 70 M HA -0.157 4.322 4.480 -0.002 0.000 0.262 70 M C 2.454 178.825 176.300 0.119 0.000 1.065 70 M CA 1.918 57.260 55.300 0.071 0.000 1.114 70 M CB -0.501 32.190 32.600 0.152 0.000 1.361 70 M HN 0.284 nan 8.290 nan 0.000 0.408 71 S N 0.443 116.224 115.700 0.134 0.000 2.356 71 S HA -0.095 4.373 4.470 -0.002 0.000 0.223 71 S C 2.014 176.676 174.600 0.103 0.000 1.032 71 S CA 1.465 59.767 58.200 0.170 0.000 1.005 71 S CB -0.826 62.560 63.200 0.311 0.000 0.867 71 S HN 0.690 nan 8.310 nan 0.000 0.449 72 G N 1.636 110.448 108.800 0.020 0.000 2.418 72 G HA2 -0.166 3.792 3.960 -0.002 0.000 0.217 72 G HA3 -0.166 3.792 3.960 -0.002 0.000 0.217 72 G C 1.405 176.307 174.900 0.004 0.000 1.158 72 G CA 0.944 46.041 45.100 -0.005 0.000 0.771 72 G HN 0.421 nan 8.290 nan 0.000 0.545 73 L N 1.059 122.267 121.223 -0.025 0.000 2.017 73 L HA 0.023 4.362 4.340 -0.002 0.000 0.208 73 L C 2.858 179.760 176.870 0.053 0.000 1.073 73 L CA 2.416 57.225 54.840 -0.051 0.000 0.745 73 L CB -0.858 41.071 42.059 -0.217 0.000 0.894 73 L HN 0.162 nan 8.230 nan 0.000 0.432 74 S N -0.697 115.095 115.700 0.153 0.000 2.365 74 S HA -0.240 4.228 4.470 -0.002 0.000 0.225 74 S C 1.893 176.566 174.600 0.123 0.000 1.039 74 S CA 1.470 59.789 58.200 0.199 0.000 1.033 74 S CB -0.304 63.015 63.200 0.198 0.000 0.887 74 S HN 0.550 nan 8.310 nan 0.000 0.447 75 Q N 0.539 120.398 119.800 0.098 0.000 2.050 75 Q HA -0.011 4.328 4.340 -0.002 0.000 0.202 75 Q C 2.293 178.332 176.000 0.065 0.000 0.980 75 Q CA 1.256 57.108 55.803 0.080 0.000 0.840 75 Q CB -0.576 28.210 28.738 0.080 0.000 0.898 75 Q HN 0.512 nan 8.270 nan 0.000 0.424 76 L N 0.381 121.636 121.223 0.052 0.000 2.179 76 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 76 L C 2.419 179.313 176.870 0.040 0.000 1.096 76 L CA 1.246 56.109 54.840 0.038 0.000 0.779 76 L CB -0.315 41.755 42.059 0.019 0.000 0.922 76 L HN 0.199 nan 8.230 nan 0.000 0.443 77 S N -1.053 114.679 115.700 0.053 0.000 2.486 77 S HA 0.126 4.595 4.470 -0.002 0.000 0.220 77 S C 1.651 176.295 174.600 0.073 0.000 1.011 77 S CA 0.487 58.724 58.200 0.062 0.000 0.921 77 S CB 0.485 63.735 63.200 0.083 0.000 0.785 77 S HN 0.470 nan 8.310 nan 0.000 0.517 78 G N 1.277 110.125 108.800 0.080 0.000 2.159 78 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.256 78 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.256 78 G C -0.281 174.665 174.900 0.075 0.000 0.977 78 G CA 0.235 45.377 45.100 0.070 0.000 0.652 78 G HN 0.666 nan 8.290 nan 0.000 0.531 79 D N 0.764 121.230 120.400 0.111 0.000 2.359 79 D HA 0.443 5.082 4.640 -0.002 0.000 0.230 79 D C -0.581 175.760 176.300 0.069 0.000 1.118 79 D CA -2.074 51.980 54.000 0.091 0.000 0.844 79 D CB 1.449 42.342 40.800 0.156 0.000 1.059 79 D HN 0.164 nan 8.370 nan 0.000 0.493 80 P HA -0.047 nan 4.420 nan 0.000 0.245 80 P C 1.070 178.327 177.300 -0.070 0.000 1.212 80 P CA 0.208 63.312 63.100 0.006 0.000 0.774 80 P CB 0.080 31.785 31.700 0.008 0.000 0.999 81 R N -0.532 119.824 120.500 -0.241 0.000 2.120 81 R HA -0.152 4.186 4.340 -0.002 0.000 0.234 81 R C 1.474 177.574 176.300 -0.332 0.000 1.123 81 R CA 1.368 57.253 56.100 -0.358 0.000 0.975 81 R CB -1.309 28.686 30.300 -0.508 0.000 0.866 81 R HN 0.123 nan 8.270 nan 0.000 0.446 82 Y N 0.828 121.148 120.300 0.033 0.000 2.243 82 Y HA -0.038 4.510 4.550 -0.003 0.000 0.293 82 Y C 2.659 178.594 175.900 0.058 0.000 1.124 82 Y CA 1.022 59.146 58.100 0.040 0.000 1.159 82 Y CB -0.734 37.747 38.460 0.035 0.000 1.008 82 Y HN 0.126 nan 8.280 nan 0.000 0.527 83 Q N 1.557 121.472 119.800 0.192 0.000 2.061 83 Q HA -0.242 4.096 4.340 -0.002 0.000 0.204 83 Q C 2.217 178.275 176.000 0.098 0.000 0.984 83 Q CA 2.317 58.205 55.803 0.141 0.000 0.846 83 Q CB -0.263 28.548 28.738 0.121 0.000 0.902 83 Q HN 0.438 nan 8.270 nan 0.000 0.421 84 K N -0.714 119.718 120.400 0.054 0.000 2.057 84 K HA -0.229 4.090 4.320 -0.002 0.000 0.207 84 K C 2.177 178.801 176.600 0.039 0.000 1.049 84 K CA 1.468 57.775 56.287 0.033 0.000 0.931 84 K CB -0.170 32.330 32.500 -0.001 0.000 0.714 84 K HN 0.053 nan 8.250 nan 0.000 0.440 85 R N 0.783 121.306 120.500 0.039 0.000 2.075 85 R HA -0.004 4.334 4.340 -0.002 0.000 0.232 85 R C 1.938 178.290 176.300 0.086 0.000 1.126 85 R CA 1.790 57.919 56.100 0.050 0.000 0.963 85 R CB -0.873 29.459 30.300 0.053 0.000 0.858 85 R HN 0.308 nan 8.270 nan 0.000 0.435 86 A N 0.538 123.435 122.820 0.128 0.000 1.902 86 A HA -0.170 4.149 4.320 -0.002 0.000 0.217 86 A C 2.015 179.684 177.584 0.142 0.000 1.181 86 A CA 1.759 53.898 52.037 0.170 0.000 0.623 86 A CB -0.516 18.608 19.000 0.206 0.000 0.818 86 A HN 0.549 nan 8.150 nan 0.000 0.443 87 E N -0.168 120.096 120.200 0.106 0.000 2.077 87 E HA -0.190 4.159 4.350 -0.002 0.000 0.193 87 E C 1.508 178.147 176.600 0.065 0.000 0.989 87 E CA 1.199 57.650 56.400 0.084 0.000 0.800 87 E CB -0.190 29.555 29.700 0.075 0.000 0.746 87 E HN 0.529 nan 8.360 nan 0.000 0.452 88 D N 0.588 121.021 120.400 0.054 0.000 2.117 88 D HA -0.145 4.494 4.640 -0.002 0.000 0.197 88 D C 1.967 178.282 176.300 0.025 0.000 0.987 88 D CA 0.889 54.913 54.000 0.040 0.000 0.829 88 D CB -0.185 40.628 40.800 0.022 0.000 0.961 88 D HN 0.200 nan 8.370 nan 0.000 0.460 89 I N 0.352 120.927 120.570 0.007 0.000 2.179 89 I HA -0.236 3.932 4.170 -0.002 0.000 0.242 89 I C 2.457 178.480 176.117 -0.156 0.000 1.088 89 I CA 0.592 61.854 61.300 -0.064 0.000 1.357 89 I CB -0.307 37.668 38.000 -0.042 0.000 1.051 89 I HN -0.112 nan 8.210 nan 0.000 0.409 90 V N 0.865 120.704 119.914 -0.124 0.000 2.252 90 V HA -0.350 3.769 4.120 -0.002 0.000 0.249 90 V C 2.669 178.584 176.094 -0.298 0.000 1.056 90 V CA 2.228 64.388 62.300 -0.233 0.000 1.022 90 V CB -0.798 30.995 31.823 -0.050 0.000 0.641 90 V HN 0.407 nan 8.190 nan 0.000 0.445 91 R N -1.328 119.140 120.500 -0.053 0.000 2.083 91 R HA -0.237 4.101 4.340 -0.002 0.000 0.237 91 R C 2.348 178.657 176.300 0.015 0.000 1.137 91 R CA 2.220 58.350 56.100 0.051 0.000 0.951 91 R CB -0.470 29.880 30.300 0.083 0.000 0.851 91 R HN 0.617 nan 8.270 nan 0.000 0.434 92 Y N 0.256 120.474 120.300 -0.137 0.000 2.274 92 Y HA -0.250 4.296 4.550 -0.008 0.000 0.290 92 Y C 2.187 177.910 175.900 -0.295 0.000 1.145 92 Y CA 1.794 59.772 58.100 -0.203 0.000 1.203 92 Y CB -0.008 38.332 38.460 -0.200 0.000 0.984 92 Y HN 0.246 nan 8.280 nan 0.000 0.533 93 H N -1.786 117.195 119.070 -0.148 0.000 2.389 93 H HA -0.135 4.422 4.556 0.002 0.000 0.299 93 H C 1.900 177.102 175.328 -0.209 0.000 1.081 93 H CA 1.733 57.670 56.048 -0.185 0.000 1.345 93 H CB -0.325 29.182 29.762 -0.425 0.000 1.393 93 H HN 0.341 nan 8.280 nan 0.000 0.520 94 F N 1.253 121.171 119.950 -0.052 0.000 2.206 94 F HA -0.120 4.404 4.527 -0.004 0.000 0.298 94 F C 2.790 178.487 175.800 -0.172 0.000 1.090 94 F CA 0.898 58.833 58.000 -0.107 0.000 1.323 94 F CB -0.652 38.301 39.000 -0.080 0.000 1.028 94 F HN 0.119 nan 8.300 nan 0.000 0.492 95 Q N 0.817 120.584 119.800 -0.054 0.000 2.079 95 Q HA -0.164 4.175 4.340 -0.002 0.000 0.200 95 Q C 1.174 176.957 176.000 -0.361 0.000 0.974 95 Q CA 2.290 57.967 55.803 -0.210 0.000 0.840 95 Q CB -0.374 28.194 28.738 -0.284 0.000 0.898 95 Q HN 0.463 nan 8.270 nan 0.000 0.430 96 N N -2.415 115.927 118.700 -0.598 0.000 2.317 96 N HA 0.108 4.847 4.740 -0.002 0.000 0.199 96 N C -0.454 174.640 175.510 -0.693 0.000 1.145 96 N CA 0.159 52.711 53.050 -0.830 0.000 0.882 96 N CB 0.656 38.282 38.487 -1.435 0.000 1.113 96 N HN 0.112 nan 8.380 nan 0.000 0.486 97 Y N 0.694 120.918 120.300 -0.127 0.000 2.715 97 Y HA 0.379 4.923 4.550 -0.011 0.000 0.255 97 Y C -0.323 175.328 175.900 -0.415 0.000 1.139 97 Y CA -0.786 57.258 58.100 -0.093 0.000 1.151 97 Y CB 0.088 38.571 38.460 0.038 0.000 1.201 97 Y HN -0.041 nan 8.280 nan 0.000 0.556 98 Q N 2.294 121.966 119.800 -0.214 0.000 2.333 98 Q HA 0.250 4.588 4.340 -0.002 0.000 0.268 98 Q C -0.667 175.207 176.000 -0.211 0.000 1.007 98 Q CA -0.814 54.861 55.803 -0.212 0.000 0.810 98 Q CB 1.286 30.037 28.738 0.021 0.000 1.264 98 Q HN 0.372 nan 8.270 nan 0.000 0.452 99 D N 3.914 124.177 120.400 -0.227 0.000 2.377 99 D HA 0.141 4.779 4.640 -0.002 0.000 0.245 99 D C -1.743 174.580 176.300 0.037 0.000 1.196 99 D CA -1.551 52.442 54.000 -0.013 0.000 0.962 99 D CB 0.696 41.604 40.800 0.181 0.000 1.127 99 D HN 0.323 nan 8.370 nan 0.000 0.471 100 P HA -0.165 nan 4.420 nan 0.000 0.216 100 P C 1.425 178.745 177.300 0.034 0.000 1.150 100 P CA 2.220 65.342 63.100 0.036 0.000 0.843 100 P CB -0.097 31.627 31.700 0.040 0.000 0.787 101 S N -2.096 113.641 115.700 0.061 0.000 2.507 101 S HA 0.108 4.577 4.470 -0.002 0.000 0.235 101 S C 1.738 176.352 174.600 0.024 0.000 0.988 101 S CA 1.030 59.255 58.200 0.041 0.000 0.944 101 S CB -1.137 62.098 63.200 0.059 0.000 0.762 101 S HN 0.322 nan 8.310 nan 0.000 0.526 102 G N 0.322 109.147 108.800 0.043 0.000 2.238 102 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.217 102 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.217 102 G C -0.049 174.947 174.900 0.160 0.000 0.996 102 G CA -0.040 45.098 45.100 0.064 0.000 0.632 102 G HN 0.506 nan 8.290 nan 0.000 0.503 103 L N 1.446 122.743 121.223 0.124 0.000 2.417 103 L HA 0.571 4.909 4.340 -0.002 0.000 0.268 103 L C 0.986 177.973 176.870 0.195 0.000 1.158 103 L CA -0.586 54.365 54.840 0.185 0.000 0.819 103 L CB 0.870 42.887 42.059 -0.070 0.000 1.112 103 L HN 0.089 nan 8.230 nan 0.000 0.458 104 L N 1.904 123.215 121.223 0.146 0.000 2.360 104 L HA 0.255 4.594 4.340 -0.002 0.000 0.271 104 L C -0.755 176.207 176.870 0.153 0.000 1.057 104 L CA -0.775 53.917 54.840 -0.248 0.000 0.803 104 L CB 0.725 42.148 42.059 -1.059 0.000 1.207 104 L HN 0.371 nan 8.230 nan 0.000 0.445 105 Y N 1.747 122.179 120.300 0.220 0.000 2.570 105 Y HA 0.121 4.671 4.550 -0.000 0.000 0.336 105 Y C -0.160 175.932 175.900 0.319 0.000 1.284 105 Y CA -0.996 57.240 58.100 0.227 0.000 1.761 105 Y CB -0.745 37.737 38.460 0.037 0.000 1.724 105 Y HN 0.446 nan 8.280 nan 0.000 0.455 106 W N -0.788 120.729 121.300 0.361 0.000 3.069 106 W HA 0.828 5.487 4.660 -0.002 0.000 0.390 106 W C 0.186 176.758 176.519 0.088 0.000 1.130 106 W CA -1.564 55.896 57.345 0.191 0.000 1.138 106 W CB 0.349 29.881 29.460 0.120 0.000 1.497 106 W HN 0.616 nan 8.180 nan 0.000 0.600 107 G N -0.160 108.629 108.800 -0.018 0.000 2.548 107 G HA2 0.219 4.178 3.960 -0.002 0.000 0.208 107 G HA3 0.219 4.178 3.960 -0.002 0.000 0.208 107 G C 0.660 175.279 174.900 -0.467 0.000 1.308 107 G CA 0.497 45.367 45.100 -0.382 0.000 0.924 107 G HN 1.733 nan 8.290 nan 0.000 0.540 108 G N -1.719 106.649 108.800 -0.720 0.000 2.462 108 G HA2 0.067 4.026 3.960 -0.002 0.000 0.220 108 G HA3 0.067 4.026 3.960 -0.002 0.000 0.220 108 G C 1.021 175.367 174.900 -0.923 0.000 1.121 108 G CA 1.904 46.210 45.100 -1.323 0.000 0.758 108 G HN 0.880 nan 8.290 nan 0.000 0.559 109 H N -0.981 118.021 119.070 -0.115 0.000 3.078 109 H HA 0.303 4.857 4.556 -0.004 0.000 0.263 109 H C 0.115 175.480 175.328 0.061 0.000 1.177 109 H CA -0.160 55.889 56.048 0.002 0.000 1.128 109 H CB 1.081 30.887 29.762 0.075 0.000 1.623 109 H HN 0.120 nan 8.280 nan 0.000 0.592 110 R N 0.870 121.476 120.500 0.177 0.000 2.651 110 R HA 0.403 4.741 4.340 -0.002 0.000 0.278 110 R C -0.883 175.557 176.300 0.233 0.000 1.010 110 R CA -0.723 55.473 56.100 0.160 0.000 0.896 110 R CB 2.073 32.546 30.300 0.289 0.000 1.211 110 R HN 0.099 nan 8.270 nan 0.000 0.456 111 F N -1.925 118.039 119.950 0.024 0.000 2.789 111 F HA 0.715 5.244 4.527 0.002 0.000 0.319 111 F C -1.372 174.407 175.800 -0.035 0.000 1.168 111 F CA -1.239 56.774 58.000 0.022 0.000 0.934 111 F CB 1.035 40.016 39.000 -0.031 0.000 1.375 111 F HN 0.047 nan 8.300 nan 0.000 0.480 112 V N 1.476 121.484 119.914 0.156 0.000 2.398 112 V HA 0.282 4.401 4.120 -0.002 0.000 0.286 112 V C -0.951 175.252 176.094 0.182 0.000 1.026 112 V CA -0.484 61.764 62.300 -0.086 0.000 0.868 112 V CB 1.274 32.892 31.823 -0.342 0.000 0.982 112 V HN 0.756 nan 8.190 nan 0.000 0.443 113 D N 3.443 123.884 120.400 0.069 0.000 2.358 113 D HA 0.063 4.702 4.640 -0.002 0.000 0.258 113 D C 0.727 177.099 176.300 0.120 0.000 1.223 113 D CA -0.168 53.938 54.000 0.177 0.000 0.886 113 D CB 1.380 42.237 40.800 0.094 0.000 1.120 113 D HN 0.355 nan 8.370 nan 0.000 0.482 114 L N 5.088 126.390 121.223 0.130 0.000 2.131 114 L HA -0.121 4.217 4.340 -0.002 0.000 0.210 114 L C 2.025 178.965 176.870 0.116 0.000 1.092 114 L CA 1.690 56.618 54.840 0.147 0.000 0.759 114 L CB -0.243 41.944 42.059 0.212 0.000 0.903 114 L HN 0.425 nan 8.230 nan 0.000 0.435 115 K N -1.260 119.018 120.400 -0.204 0.000 2.002 115 K HA -0.120 4.199 4.320 -0.002 0.000 0.209 115 K C 1.833 178.447 176.600 0.025 0.000 1.048 115 K CA 1.971 58.031 56.287 -0.380 0.000 0.930 115 K CB -0.419 31.767 32.500 -0.522 0.000 0.714 115 K HN 0.546 nan 8.250 nan 0.000 0.438 116 T N -1.645 112.951 114.554 0.070 0.000 3.037 116 T HA 0.168 4.517 4.350 -0.002 0.000 0.251 116 T C 1.062 175.879 174.700 0.196 0.000 1.079 116 T CA -0.082 62.098 62.100 0.133 0.000 1.067 116 T CB -0.079 68.812 68.868 0.039 0.000 0.948 116 T HN 0.251 nan 8.240 nan 0.000 0.496 117 L N -0.461 120.869 121.223 0.178 0.000 4.291 117 L HA -0.150 4.189 4.340 -0.002 0.000 0.413 117 L C -0.483 176.506 176.870 0.198 0.000 1.162 117 L CA 0.140 55.096 54.840 0.193 0.000 0.961 117 L CB -1.679 40.490 42.059 0.185 0.000 2.095 117 L HN 0.390 nan 8.230 nan 0.000 0.838 118 Q N 0.936 120.779 119.800 0.072 0.000 2.235 118 Q HA 0.449 4.788 4.340 -0.002 0.000 0.250 118 Q C -2.019 173.905 176.000 -0.128 0.000 0.909 118 Q CA -2.003 53.804 55.803 0.007 0.000 0.910 118 Q CB 0.945 29.647 28.738 -0.061 0.000 1.223 118 Q HN -0.011 nan 8.270 nan 0.000 0.432 119 P HA 0.097 nan 4.420 nan 0.000 0.271 119 P C -0.427 176.619 177.300 -0.424 0.000 1.216 119 P CA 0.023 62.914 63.100 -0.348 0.000 0.771 119 P CB 1.122 32.535 31.700 -0.479 0.000 0.864 120 E N 0.956 120.812 120.200 -0.574 0.000 2.263 120 E HA 0.612 4.960 4.350 -0.002 0.000 0.264 120 E C 0.028 176.338 176.600 -0.484 0.000 0.923 120 E CA -0.835 55.191 56.400 -0.622 0.000 0.802 120 E CB 2.408 31.495 29.700 -1.022 0.000 1.228 120 E HN 0.534 nan 8.360 nan 0.000 0.417 121 G N 2.132 110.789 108.800 -0.238 0.000 3.171 121 G HA2 0.298 4.256 3.960 -0.002 0.000 0.305 121 G HA3 0.298 4.256 3.960 -0.002 0.000 0.305 121 G C -1.940 173.044 174.900 0.140 0.000 1.584 121 G CA -1.096 43.970 45.100 -0.057 0.000 1.070 121 G HN 0.191 nan 8.290 nan 0.000 0.535 122 P HA -0.027 nan 4.420 nan 0.000 0.225 122 P C 0.759 178.191 177.300 0.221 0.000 1.148 122 P CA 0.590 63.776 63.100 0.143 0.000 0.779 122 P CB 0.716 32.148 31.700 -0.447 0.000 0.780 123 S N -0.036 115.778 115.700 0.189 0.000 2.520 123 S HA 0.227 4.696 4.470 -0.002 0.000 0.324 123 S C 1.049 175.693 174.600 0.075 0.000 1.069 123 S CA -0.460 57.836 58.200 0.160 0.000 1.121 123 S CB 0.762 64.059 63.200 0.162 0.000 0.971 123 S HN -0.217 nan 8.310 nan 0.000 0.463 124 E N 4.406 124.663 120.200 0.096 0.000 2.058 124 E HA -0.119 4.230 4.350 -0.002 0.000 0.194 124 E C 1.467 178.075 176.600 0.014 0.000 0.997 124 E CA 1.776 58.213 56.400 0.062 0.000 0.801 124 E CB 0.073 29.819 29.700 0.077 0.000 0.746 124 E HN 0.666 nan 8.360 nan 0.000 0.450 125 K N -0.106 120.294 120.400 -0.001 0.000 2.288 125 K HA -0.035 4.284 4.320 -0.002 0.000 0.201 125 K C 0.114 176.654 176.600 -0.099 0.000 1.048 125 K CA 0.735 57.003 56.287 -0.032 0.000 0.956 125 K CB 0.223 32.716 32.500 -0.011 0.000 0.746 125 K HN 0.044 nan 8.250 nan 0.000 0.461 126 E N 0.902 121.000 120.200 -0.169 0.000 3.312 126 E HA 0.149 4.497 4.350 -0.002 0.000 0.215 126 E C -0.485 176.004 176.600 -0.185 0.000 1.160 126 E CA -0.026 56.178 56.400 -0.327 0.000 1.267 126 E CB 0.580 29.829 29.700 -0.751 0.000 1.361 126 E HN 0.197 nan 8.360 nan 0.000 0.433 127 M N 1.944 121.523 119.600 -0.035 0.000 3.586 127 M HA 0.127 4.606 4.480 -0.002 0.000 0.225 127 M C 0.245 176.684 176.300 0.231 0.000 1.428 127 M CA -0.243 55.102 55.300 0.076 0.000 1.613 127 M CB -0.388 32.231 32.600 0.032 0.000 1.063 127 M HN -0.006 nan 8.290 nan 0.000 0.593 128 V N -3.324 116.759 119.914 0.281 0.000 3.141 128 V HA 0.538 4.657 4.120 -0.002 0.000 0.312 128 V C -0.600 175.794 176.094 0.500 0.000 1.157 128 V CA -1.009 61.502 62.300 0.351 0.000 1.041 128 V CB 2.158 34.057 31.823 0.125 0.000 1.071 128 V HN 0.506 nan 8.190 nan 0.000 0.441 129 H N 1.434 120.629 119.070 0.209 0.000 2.527 129 H HA 0.604 5.158 4.556 -0.004 0.000 0.321 129 H C -0.903 174.698 175.328 0.455 0.000 1.087 129 H CA 0.213 56.434 56.048 0.289 0.000 1.337 129 H CB 1.292 31.104 29.762 0.083 0.000 1.440 129 H HN 0.974 nan 8.280 nan 0.000 0.490 130 E N 5.920 126.108 120.200 -0.020 0.000 2.311 130 E HA 0.308 4.656 4.350 -0.002 0.000 0.281 130 E C -1.761 174.728 176.600 -0.186 0.000 0.905 130 E CA -0.622 55.852 56.400 0.124 0.000 0.778 130 E CB 1.508 31.405 29.700 0.328 0.000 1.240 130 E HN 0.557 nan 8.360 nan 0.000 0.410 131 L N 4.036 125.199 121.223 -0.100 0.000 2.381 131 L HA 0.574 4.912 4.340 -0.002 0.000 0.274 131 L C -0.676 176.209 176.870 0.025 0.000 0.988 131 L CA -0.738 54.010 54.840 -0.153 0.000 0.824 131 L CB 1.914 43.804 42.059 -0.282 0.000 1.263 131 L HN 0.375 nan 8.230 nan 0.000 0.410 132 K N 3.537 123.965 120.400 0.047 0.000 2.579 132 K HA 0.324 4.643 4.320 -0.002 0.000 0.250 132 K C -0.578 175.942 176.600 -0.133 0.000 0.952 132 K CA -0.774 55.519 56.287 0.011 0.000 0.857 132 K CB 1.308 33.854 32.500 0.077 0.000 1.123 132 K HN 0.508 nan 8.250 nan 0.000 0.433 133 N N 1.342 119.870 118.700 -0.287 0.000 2.710 133 N HA -0.252 4.486 4.740 -0.002 0.000 0.249 133 N C 0.352 175.534 175.510 -0.547 0.000 1.059 133 N CA 1.054 53.777 53.050 -0.545 0.000 0.720 133 N CB -0.926 37.330 38.487 -0.384 0.000 0.983 133 N HN 0.777 nan 8.380 nan 0.000 0.544 134 A N -0.578 121.981 122.820 -0.435 0.000 1.903 134 A HA 0.032 4.350 4.320 -0.002 0.000 0.213 134 A C 0.314 177.756 177.584 -0.236 0.000 1.185 134 A CA 0.678 52.525 52.037 -0.317 0.000 0.628 134 A CB -0.266 18.523 19.000 -0.350 0.000 0.830 134 A HN 0.361 nan 8.150 nan 0.000 0.446 135 Y N -1.372 118.854 120.300 -0.124 0.000 2.982 135 Y HA -0.119 4.430 4.550 -0.003 0.000 0.192 135 Y C -2.323 173.503 175.900 -0.123 0.000 1.397 135 Y CA -0.201 57.813 58.100 -0.142 0.000 0.844 135 Y CB -2.756 35.443 38.460 -0.435 0.000 1.290 135 Y HN 0.262 nan 8.280 nan 0.000 0.408 136 P HA -0.031 nan 4.420 nan 0.000 0.270 136 P C 0.129 177.312 177.300 -0.196 0.000 1.223 136 P CA -0.209 62.682 63.100 -0.349 0.000 0.785 136 P CB 0.460 31.784 31.700 -0.626 0.000 0.923 137 Y N 2.217 122.379 120.300 -0.229 0.000 2.724 137 Y HA 0.093 4.641 4.550 -0.003 0.000 0.354 137 Y C 0.557 176.475 175.900 0.031 0.000 1.270 137 Y CA -0.576 57.506 58.100 -0.030 0.000 1.902 137 Y CB -1.506 36.944 38.460 -0.015 0.000 1.981 137 Y HN 0.311 nan 8.280 nan 0.000 0.428 138 Y N -0.207 120.289 120.300 0.327 0.000 2.315 138 Y HA -0.264 4.284 4.550 -0.003 0.000 0.288 138 Y C 2.090 178.076 175.900 0.143 0.000 1.154 138 Y CA 1.435 59.656 58.100 0.201 0.000 1.229 138 Y CB -0.252 38.379 38.460 0.286 0.000 0.980 138 Y HN 0.346 nan 8.280 nan 0.000 0.540 139 D N -0.071 120.487 120.400 0.263 0.000 2.104 139 D HA -0.175 4.463 4.640 -0.002 0.000 0.194 139 D C 2.270 178.517 176.300 -0.087 0.000 0.994 139 D CA 1.306 55.401 54.000 0.158 0.000 0.830 139 D CB -0.504 40.473 40.800 0.295 0.000 0.959 139 D HN 0.310 nan 8.370 nan 0.000 0.452 140 L N 0.498 121.395 121.223 -0.543 0.000 2.017 140 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 140 L C 2.364 179.179 176.870 -0.091 0.000 1.073 140 L CA 1.569 56.160 54.840 -0.416 0.000 0.745 140 L CB -0.531 41.107 42.059 -0.703 0.000 0.894 140 L HN -0.057 nan 8.230 nan 0.000 0.432 141 M N -1.536 118.042 119.600 -0.037 0.000 2.108 141 M HA -0.235 4.244 4.480 -0.002 0.000 0.261 141 M C 2.179 178.524 176.300 0.075 0.000 1.066 141 M CA 1.910 57.272 55.300 0.104 0.000 1.107 141 M CB -0.557 32.142 32.600 0.165 0.000 1.356 141 M HN 0.197 nan 8.290 nan 0.000 0.406 142 F N 0.596 120.543 119.950 -0.005 0.000 2.161 142 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 142 F C 2.970 178.764 175.800 -0.011 0.000 1.089 142 F CA 1.838 59.779 58.000 -0.099 0.000 1.282 142 F CB -0.879 37.825 39.000 -0.494 0.000 1.010 142 F HN 0.268 nan 8.300 nan 0.000 0.485 143 S N -1.075 114.731 115.700 0.177 0.000 2.453 143 S HA -0.066 4.403 4.470 -0.002 0.000 0.231 143 S C 1.874 176.545 174.600 0.119 0.000 1.005 143 S CA 1.098 59.383 58.200 0.141 0.000 0.949 143 S CB -0.777 62.487 63.200 0.107 0.000 0.774 143 S HN 0.127 nan 8.310 nan 0.000 0.510 144 V N 1.086 121.079 119.914 0.131 0.000 2.426 144 V HA 0.198 4.316 4.120 -0.002 0.000 0.242 144 V C 0.505 176.682 176.094 0.139 0.000 1.036 144 V CA 1.303 63.690 62.300 0.146 0.000 1.044 144 V CB -0.308 31.628 31.823 0.188 0.000 0.688 144 V HN 0.538 nan 8.190 nan 0.000 0.462 145 D N -1.130 119.345 120.400 0.124 0.000 2.362 145 D HA 0.124 4.763 4.640 -0.002 0.000 0.232 145 D C 0.936 177.158 176.300 -0.131 0.000 1.329 145 D CA 0.657 54.644 54.000 -0.022 0.000 0.944 145 D CB 1.407 42.143 40.800 -0.107 0.000 1.471 145 D HN 0.204 nan 8.370 nan 0.000 0.533 146 S N 2.020 117.721 115.700 0.001 0.000 2.399 146 S HA -0.194 4.274 4.470 -0.002 0.000 0.231 146 S C 1.494 176.085 174.600 -0.015 0.000 1.022 146 S CA 1.386 59.654 58.200 0.113 0.000 0.983 146 S CB 0.075 63.446 63.200 0.284 0.000 0.803 146 S HN 0.463 nan 8.310 nan 0.000 0.480 147 D N 2.236 122.588 120.400 -0.080 0.000 2.117 147 D HA 0.042 4.681 4.640 -0.002 0.000 0.198 147 D C 2.047 178.210 176.300 -0.229 0.000 0.982 147 D CA 1.338 55.277 54.000 -0.102 0.000 0.828 147 D CB -0.541 40.208 40.800 -0.085 0.000 0.967 147 D HN 0.440 nan 8.370 nan 0.000 0.464 148 A N -0.525 122.019 122.820 -0.459 0.000 1.898 148 A HA -0.113 4.206 4.320 -0.002 0.000 0.216 148 A C 2.350 179.500 177.584 -0.724 0.000 1.181 148 A CA 2.126 53.699 52.037 -0.774 0.000 0.620 148 A CB -1.038 17.044 19.000 -1.531 0.000 0.819 148 A HN 0.339 nan 8.150 nan 0.000 0.442 149 T N 0.480 114.614 114.554 -0.700 0.000 2.708 149 T HA -0.021 4.327 4.350 -0.002 0.000 0.266 149 T C 2.229 176.791 174.700 -0.229 0.000 1.037 149 T CA 1.571 63.429 62.100 -0.402 0.000 1.146 149 T CB -0.494 67.819 68.868 -0.926 0.000 0.865 149 T HN 0.585 nan 8.240 nan 0.000 0.435 150 A N 1.798 124.515 122.820 -0.170 0.000 1.902 150 A HA -0.129 4.189 4.320 -0.002 0.000 0.217 150 A C 2.406 180.029 177.584 0.065 0.000 1.181 150 A CA 1.435 53.524 52.037 0.087 0.000 0.623 150 A CB -0.522 18.583 19.000 0.175 0.000 0.818 150 A HN 0.389 nan 8.150 nan 0.000 0.443 151 R N -2.014 118.484 120.500 -0.004 0.000 2.081 151 R HA -0.116 4.223 4.340 -0.002 0.000 0.235 151 R C 2.013 178.342 176.300 0.049 0.000 1.131 151 R CA 1.552 57.650 56.100 -0.003 0.000 0.960 151 R CB -0.513 29.758 30.300 -0.048 0.000 0.856 151 R HN 0.612 nan 8.270 nan 0.000 0.436 152 F N 1.588 121.534 119.950 -0.007 0.000 2.069 152 F HA -0.213 4.312 4.527 -0.003 0.000 0.298 152 F C 1.955 177.874 175.800 0.198 0.000 1.113 152 F CA 1.530 59.579 58.000 0.082 0.000 1.214 152 F CB -0.269 38.811 39.000 0.134 0.000 0.978 152 F HN -0.110 nan 8.300 nan 0.000 0.474 153 I N 0.150 120.753 120.570 0.054 0.000 2.202 153 I HA -0.278 3.891 4.170 -0.002 0.000 0.242 153 I C 2.570 178.793 176.117 0.177 0.000 1.091 153 I CA 1.357 62.737 61.300 0.133 0.000 1.368 153 I CB -0.515 37.631 38.000 0.243 0.000 1.058 153 I HN 0.093 nan 8.210 nan 0.000 0.410 154 R N 0.629 121.181 120.500 0.087 0.000 2.096 154 R HA -0.108 4.231 4.340 -0.002 0.000 0.235 154 R C 2.383 178.655 176.300 -0.046 0.000 1.127 154 R CA 1.483 57.554 56.100 -0.047 0.000 0.968 154 R CB -0.697 29.533 30.300 -0.117 0.000 0.861 154 R HN 0.446 nan 8.270 nan 0.000 0.440 155 G N 0.567 109.330 108.800 -0.060 0.000 2.421 155 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.217 155 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.217 155 G C 1.136 176.021 174.900 -0.025 0.000 1.143 155 G CA 0.021 45.086 45.100 -0.059 0.000 0.784 155 G HN 0.188 nan 8.290 nan 0.000 0.541 156 F N 0.832 120.577 119.950 -0.343 0.000 2.051 156 F HA 0.003 4.529 4.527 -0.001 0.000 0.296 156 F C 2.218 178.006 175.800 -0.020 0.000 1.122 156 F CA 0.649 58.462 58.000 -0.312 0.000 1.201 156 F CB -0.792 37.860 39.000 -0.581 0.000 0.978 156 F HN 0.222 nan 8.300 nan 0.000 0.472 157 W N 1.282 122.462 121.300 -0.201 0.000 2.338 157 W HA -0.202 4.456 4.660 -0.003 0.000 0.304 157 W C 2.696 179.198 176.519 -0.030 0.000 1.212 157 W CA 1.829 59.045 57.345 -0.215 0.000 1.264 157 W CB -1.185 28.203 29.460 -0.120 0.000 1.142 157 W HN 0.135 nan 8.180 nan 0.000 0.512 158 N N 0.232 119.081 118.700 0.248 0.000 2.149 158 N HA -0.184 4.554 4.740 -0.002 0.000 0.188 158 N C 1.632 177.252 175.510 0.183 0.000 1.019 158 N CA 1.861 55.051 53.050 0.234 0.000 0.857 158 N CB -0.164 38.364 38.487 0.067 0.000 0.997 158 N HN 0.162 nan 8.380 nan 0.000 0.426 159 A N -0.259 122.651 122.820 0.149 0.000 1.975 159 A HA -0.013 4.306 4.320 -0.002 0.000 0.215 159 A C 1.645 179.273 177.584 0.073 0.000 1.170 159 A CA 0.635 52.741 52.037 0.115 0.000 0.656 159 A CB -0.403 18.651 19.000 0.090 0.000 0.821 159 A HN 0.438 nan 8.150 nan 0.000 0.449 160 H N -1.271 117.772 119.070 -0.046 0.000 2.592 160 H HA 0.198 4.752 4.556 -0.003 0.000 0.265 160 H C -0.346 174.761 175.328 -0.370 0.000 0.955 160 H CA 0.257 56.191 56.048 -0.189 0.000 1.175 160 H CB 0.501 30.085 29.762 -0.296 0.000 1.433 160 H HN 0.178 nan 8.280 nan 0.000 0.537 161 V N 2.948 122.697 119.914 -0.276 0.000 2.353 161 V HA -0.051 4.068 4.120 -0.002 0.000 0.264 161 V C 0.613 176.642 176.094 -0.108 0.000 1.049 161 V CA -0.167 61.850 62.300 -0.473 0.000 0.896 161 V CB 0.173 31.262 31.823 -1.223 0.000 1.025 161 V HN 0.281 nan 8.190 nan 0.000 0.475 162 Y N 1.240 121.429 120.300 -0.185 0.000 2.314 162 Y HA 0.083 4.631 4.550 -0.003 0.000 0.293 162 Y C 1.223 177.124 175.900 0.002 0.000 1.129 162 Y CA 0.592 58.650 58.100 -0.069 0.000 1.201 162 Y CB 0.184 38.606 38.460 -0.063 0.000 0.999 162 Y HN 0.576 nan 8.280 nan 0.000 0.541 163 D N -2.155 118.343 120.400 0.162 0.000 2.478 163 D HA 0.086 4.725 4.640 -0.002 0.000 0.240 163 D C -0.232 176.191 176.300 0.205 0.000 1.364 163 D CA -0.518 53.605 54.000 0.204 0.000 0.987 163 D CB 0.103 41.020 40.800 0.196 0.000 1.328 163 D HN -0.061 nan 8.370 nan 0.000 0.584 164 W N 2.688 124.087 121.300 0.165 0.000 2.425 164 W HA 0.084 4.742 4.660 -0.003 0.000 0.277 164 W C 2.415 179.207 176.519 0.455 0.000 1.231 164 W CA 0.189 57.665 57.345 0.219 0.000 1.248 164 W CB -0.041 29.426 29.460 0.012 0.000 1.117 164 W HN 0.414 nan 8.180 nan 0.000 0.568 165 R N 1.307 122.106 120.500 0.499 0.000 2.091 165 R HA -0.170 4.169 4.340 -0.002 0.000 0.238 165 R C 1.733 178.172 176.300 0.231 0.000 1.136 165 R CA 2.229 58.535 56.100 0.343 0.000 0.959 165 R CB -0.542 29.857 30.300 0.164 0.000 0.856 165 R HN 0.411 nan 8.270 nan 0.000 0.437 166 I N -3.083 117.628 120.570 0.234 0.000 4.082 166 I HA 0.201 4.369 4.170 -0.002 0.000 0.337 166 I C 0.209 176.591 176.117 0.442 0.000 1.352 166 I CA -0.297 61.061 61.300 0.098 0.000 1.097 166 I CB 0.519 38.451 38.000 -0.114 0.000 1.048 166 I HN 0.028 nan 8.210 nan 0.000 0.393 167 L N 2.468 124.010 121.223 0.532 0.000 3.548 167 L HA -0.201 4.137 4.340 -0.002 0.000 0.443 167 L C 0.372 177.474 176.870 0.386 0.000 1.286 167 L CA 0.535 55.647 54.840 0.453 0.000 0.863 167 L CB -0.969 41.389 42.059 0.499 0.000 1.734 167 L HN 0.650 nan 8.230 nan 0.000 0.873 168 E N 1.318 121.668 120.200 0.250 0.000 2.299 168 E HA 0.271 4.619 4.350 -0.002 0.000 0.272 168 E C 0.412 176.917 176.600 -0.159 0.000 1.043 168 E CA 0.430 56.873 56.400 0.072 0.000 0.895 168 E CB 0.714 30.498 29.700 0.139 0.000 1.011 168 E HN 0.305 nan 8.360 nan 0.000 0.432 169 T N 1.023 115.379 114.554 -0.329 0.000 2.942 169 T HA 0.575 4.923 4.350 -0.002 0.000 0.289 169 T C -0.293 173.996 174.700 -0.685 0.000 1.044 169 T CA -0.919 60.901 62.100 -0.466 0.000 1.023 169 T CB 1.820 70.493 68.868 -0.325 0.000 1.123 169 T HN 0.259 nan 8.240 nan 0.000 0.512 170 S N -0.799 114.472 115.700 -0.715 0.000 2.564 170 S HA 0.388 4.856 4.470 -0.002 0.000 0.274 170 S C 0.979 175.414 174.600 -0.275 0.000 1.124 170 S CA -0.941 56.852 58.200 -0.678 0.000 0.869 170 S CB 1.592 64.142 63.200 -1.083 0.000 1.105 170 S HN 0.984 nan 8.310 nan 0.000 0.472 171 R N 2.011 122.344 120.500 -0.278 0.000 2.280 171 R HA 0.093 4.431 4.340 -0.002 0.000 0.207 171 R C -0.336 176.005 176.300 0.069 0.000 1.043 171 R CA 0.728 56.788 56.100 -0.066 0.000 1.006 171 R CB -0.507 29.716 30.300 -0.128 0.000 0.885 171 R HN 0.692 nan 8.270 nan 0.000 0.467 172 H N -0.759 118.354 119.070 0.071 0.000 2.492 172 H HA 0.599 5.153 4.556 -0.002 0.000 0.345 172 H C -0.469 174.614 175.328 -0.409 0.000 1.136 172 H CA -0.668 55.389 56.048 0.014 0.000 1.202 172 H CB 2.112 31.918 29.762 0.073 0.000 1.524 172 H HN 0.290 nan 8.280 nan 0.000 0.506 173 G N 1.596 110.220 108.800 -0.292 0.000 2.662 173 G HA2 0.235 4.194 3.960 -0.002 0.000 0.302 173 G HA3 0.235 4.194 3.960 -0.002 0.000 0.302 173 G C -0.938 173.916 174.900 -0.077 0.000 1.389 173 G CA -0.741 44.123 45.100 -0.395 0.000 0.998 173 G HN 0.482 nan 8.290 nan 0.000 0.502 174 E N 0.996 121.173 120.200 -0.039 0.000 2.331 174 E HA 0.198 4.546 4.350 -0.002 0.000 0.272 174 E C -0.459 176.128 176.600 -0.022 0.000 1.036 174 E CA -0.143 56.267 56.400 0.016 0.000 0.864 174 E CB 1.371 31.094 29.700 0.038 0.000 1.035 174 E HN 0.485 nan 8.360 nan 0.000 0.408 175 Y N 0.008 120.400 120.300 0.153 0.000 2.426 175 Y HA 0.210 4.763 4.550 0.004 0.000 0.344 175 Y C 1.825 177.787 175.900 0.104 0.000 1.256 175 Y CA 1.165 59.360 58.100 0.158 0.000 1.451 175 Y CB 0.600 39.194 38.460 0.224 0.000 1.342 175 Y HN 0.788 nan 8.280 nan 0.000 0.600 176 G N 1.010 109.969 108.800 0.266 0.000 2.179 176 G HA2 -0.312 3.646 3.960 -0.002 0.000 0.257 176 G HA3 -0.312 3.646 3.960 -0.002 0.000 0.257 176 G C -0.138 174.816 174.900 0.090 0.000 1.010 176 G CA -0.071 45.124 45.100 0.158 0.000 0.736 176 G HN 0.503 nan 8.290 nan 0.000 0.513 177 K N 0.778 121.220 120.400 0.071 0.000 2.270 177 K HA 0.430 4.749 4.320 -0.002 0.000 0.276 177 K C -2.041 174.573 176.600 0.023 0.000 1.023 177 K CA -1.492 54.819 56.287 0.039 0.000 0.955 177 K CB 0.699 33.218 32.500 0.033 0.000 0.975 177 K HN 0.083 nan 8.250 nan 0.000 0.471 178 P HA 0.024 nan 4.420 nan 0.000 0.272 178 P C -0.683 176.603 177.300 -0.024 0.000 1.230 178 P CA -0.557 62.538 63.100 -0.008 0.000 0.788 178 P CB 0.445 32.137 31.700 -0.013 0.000 0.949 179 M N 1.941 121.513 119.600 -0.047 0.000 2.217 179 M HA 0.397 4.876 4.480 -0.002 0.000 0.352 179 M C 0.462 176.697 176.300 -0.109 0.000 1.376 179 M CA 0.374 55.623 55.300 -0.085 0.000 1.107 179 M CB -0.353 32.185 32.600 -0.104 0.000 1.723 179 M HN 0.493 nan 8.290 nan 0.000 0.461 180 G N 2.878 111.592 108.800 -0.144 0.000 2.641 180 G HA2 0.586 4.545 3.960 -0.002 0.000 0.239 180 G HA3 0.586 4.545 3.960 -0.002 0.000 0.239 180 G C 0.401 175.115 174.900 -0.311 0.000 1.402 180 G CA -0.171 44.818 45.100 -0.184 0.000 1.046 180 G HN 0.959 nan 8.290 nan 0.000 0.565 181 A N -1.746 120.848 122.820 -0.377 0.000 2.121 181 A HA 0.248 4.567 4.320 -0.002 0.000 0.218 181 A C 1.760 178.941 177.584 -0.672 0.000 1.154 181 A CA 1.475 53.262 52.037 -0.418 0.000 0.679 181 A CB -0.723 18.087 19.000 -0.316 0.000 0.795 181 A HN 1.344 nan 8.150 nan 0.000 0.458 182 L N -3.614 116.947 121.223 -1.104 0.000 5.704 182 L HA -0.363 3.976 4.340 -0.002 0.000 0.053 182 L C 1.497 177.404 176.870 -1.605 0.000 2.571 182 L CA 2.816 56.693 54.840 -1.605 0.000 1.641 182 L CB -1.254 40.120 42.059 -1.141 0.000 2.792 182 L HN 0.588 nan 8.230 nan 0.000 0.961 183 W N -0.414 120.412 121.300 -0.790 0.000 2.465 183 W HA 0.000 4.659 4.660 -0.002 0.000 0.268 183 W C 2.138 178.632 176.519 -0.042 0.000 1.242 183 W CA 0.729 57.791 57.345 -0.472 0.000 1.248 183 W CB -0.218 29.172 29.460 -0.118 0.000 1.118 183 W HN 0.431 nan 8.180 nan 0.000 0.587 184 E N 0.513 120.721 120.200 0.012 0.000 2.511 184 E HA -0.014 4.335 4.350 -0.002 0.000 0.196 184 E C 0.591 177.231 176.600 0.066 0.000 1.066 184 E CA 0.077 56.521 56.400 0.073 0.000 0.871 184 E CB 0.013 29.711 29.700 -0.003 0.000 0.863 184 E HN -0.011 nan 8.360 nan 0.000 0.520 185 S N 1.724 117.396 115.700 -0.047 0.000 2.558 185 S HA 0.018 4.487 4.470 -0.002 0.000 0.288 185 S C 0.264 175.113 174.600 0.416 0.000 1.318 185 S CA 0.273 58.509 58.200 0.060 0.000 1.056 185 S CB 0.631 63.731 63.200 -0.166 0.000 0.853 185 S HN 0.105 nan 8.310 nan 0.000 0.505 186 K N 1.621 122.211 120.400 0.317 0.000 2.270 186 K HA 0.275 4.594 4.320 -0.002 0.000 0.276 186 K C -0.703 176.181 176.600 0.472 0.000 1.023 186 K CA -0.122 56.360 56.287 0.325 0.000 0.955 186 K CB 0.531 33.137 32.500 0.177 0.000 0.975 186 K HN 0.484 nan 8.250 nan 0.000 0.471 187 F N 2.165 122.251 119.950 0.228 0.000 2.458 187 F HA 0.229 4.755 4.527 -0.003 0.000 0.336 187 F C -0.668 175.167 175.800 0.057 0.000 1.114 187 F CA -0.764 57.342 58.000 0.178 0.000 0.987 187 F CB 1.369 40.360 39.000 -0.014 0.000 1.130 187 F HN 0.450 nan 8.300 nan 0.000 0.458 188 E N 4.302 124.071 120.200 -0.718 0.000 2.186 188 E HA 0.134 4.483 4.350 -0.002 0.000 0.255 188 E C -1.193 174.738 176.600 -1.116 0.000 0.881 188 E CA -1.013 54.964 56.400 -0.705 0.000 0.752 188 E CB 1.448 30.944 29.700 -0.341 0.000 1.176 188 E HN 0.467 nan 8.360 nan 0.000 0.421 189 Q N 3.349 122.506 119.800 -1.071 0.000 2.239 189 Q HA -0.079 4.260 4.340 -0.002 0.000 0.286 189 Q C -0.596 175.156 176.000 -0.413 0.000 1.102 189 Q CA 0.717 56.134 55.803 -0.642 0.000 0.936 189 Q CB 0.337 28.957 28.738 -0.196 0.000 1.127 189 Q HN 0.299 nan 8.270 nan 0.000 0.380 190 Q N 4.678 124.221 119.800 -0.429 0.000 2.205 190 Q HA 0.517 4.856 4.340 -0.002 0.000 0.249 190 Q C -2.082 173.824 176.000 -0.157 0.000 0.948 190 Q CA -2.018 53.520 55.803 -0.442 0.000 0.895 190 Q CB 0.493 28.561 28.738 -1.117 0.000 1.249 190 Q HN 0.556 nan 8.270 nan 0.000 0.458 191 P HA 0.202 nan 4.420 nan 0.000 0.272 191 P C -2.432 174.996 177.300 0.215 0.000 1.230 191 P CA -1.220 61.922 63.100 0.069 0.000 0.788 191 P CB -0.485 31.256 31.700 0.069 0.000 0.949 192 P HA -0.010 nan 4.420 nan 0.000 0.265 192 P C -0.413 176.996 177.300 0.183 0.000 1.187 192 P CA 0.456 63.589 63.100 0.056 0.000 0.766 192 P CB -0.309 31.421 31.700 0.049 0.000 0.820 193 F N -0.737 119.255 119.950 0.070 0.000 3.091 193 F HA -0.223 4.303 4.527 -0.003 0.000 0.288 193 F C 0.652 176.434 175.800 -0.029 0.000 0.907 193 F CA 0.237 58.195 58.000 -0.070 0.000 1.028 193 F CB -2.764 36.221 39.000 -0.026 0.000 1.022 193 F HN 0.169 nan 8.300 nan 0.000 0.665 194 F N -0.351 119.659 119.950 0.100 0.000 2.553 194 F HA 0.521 5.046 4.527 -0.003 0.000 0.356 194 F C 0.644 176.471 175.800 0.045 0.000 1.142 194 F CA -0.962 57.076 58.000 0.064 0.000 1.322 194 F CB 0.354 39.376 39.000 0.036 0.000 1.126 194 F HN 0.180 nan 8.300 nan 0.000 0.599 195 A N 2.650 125.560 122.820 0.150 0.000 2.320 195 A HA 0.636 4.955 4.320 -0.002 0.000 0.287 195 A C 0.085 177.706 177.584 0.062 0.000 1.181 195 A CA 0.191 52.255 52.037 0.044 0.000 0.831 195 A CB -0.106 18.931 19.000 0.061 0.000 1.102 195 A HN 1.055 nan 8.150 nan 0.000 0.513 196 T N -0.630 113.902 114.554 -0.036 0.000 2.864 196 T HA 0.432 4.780 4.350 -0.002 0.000 0.299 196 T C 0.749 175.428 174.700 -0.036 0.000 1.166 196 T CA -0.676 61.422 62.100 -0.003 0.000 1.007 196 T CB 1.637 70.486 68.868 -0.031 0.000 1.219 196 T HN 0.516 nan 8.240 nan 0.000 0.506 197 K N 0.870 121.278 120.400 0.013 0.000 2.025 197 K HA 0.096 4.415 4.320 -0.002 0.000 0.207 197 K C 1.246 177.838 176.600 -0.013 0.000 1.049 197 K CA 0.946 57.242 56.287 0.015 0.000 0.933 197 K CB -0.852 31.682 32.500 0.058 0.000 0.714 197 K HN 0.836 nan 8.250 nan 0.000 0.438 198 G N 1.553 110.360 108.800 0.011 0.000 2.365 198 G HA2 0.232 4.190 3.960 -0.002 0.000 0.249 198 G HA3 0.232 4.190 3.960 -0.002 0.000 0.249 198 G C -0.611 174.050 174.900 -0.398 0.000 1.288 198 G CA -0.346 44.616 45.100 -0.231 0.000 0.887 198 G HN 0.213 nan 8.290 nan 0.000 0.524 199 L N 2.644 123.549 121.223 -0.531 0.000 2.259 199 L HA 0.187 4.525 4.340 -0.002 0.000 0.288 199 L C 1.153 177.507 176.870 -0.860 0.000 1.051 199 L CA -0.552 53.843 54.840 -0.741 0.000 0.824 199 L CB 1.513 42.943 42.059 -1.048 0.000 1.206 199 L HN 0.658 nan 8.230 nan 0.000 0.429 200 S N 1.895 117.171 115.700 -0.706 0.000 2.967 200 S HA 0.170 4.638 4.470 -0.002 0.000 0.254 200 S C 0.361 174.798 174.600 -0.273 0.000 1.089 200 S CA -0.653 57.172 58.200 -0.624 0.000 1.183 200 S CB -0.900 61.568 63.200 -1.221 0.000 0.848 200 S HN 0.246 nan 8.310 nan 0.000 0.477 201 F N 1.206 120.988 119.950 -0.281 0.000 2.642 201 F HA 0.053 4.578 4.527 -0.003 0.000 0.371 201 F C 1.272 176.821 175.800 -0.418 0.000 1.120 201 F CA -1.192 56.541 58.000 -0.446 0.000 1.331 201 F CB 0.010 38.845 39.000 -0.274 0.000 1.044 201 F HN 0.211 nan 8.300 nan 0.000 0.594 202 L N 3.491 124.375 121.223 -0.565 0.000 2.395 202 L HA -0.121 4.217 4.340 -0.002 0.000 0.218 202 L C 1.954 178.627 176.870 -0.328 0.000 1.130 202 L CA 1.216 55.752 54.840 -0.507 0.000 0.826 202 L CB -0.995 40.668 42.059 -0.661 0.000 0.941 202 L HN 0.683 nan 8.230 nan 0.000 0.451 203 N N 0.493 119.056 118.700 -0.228 0.000 2.084 203 N HA -0.173 4.566 4.740 -0.002 0.000 0.190 203 N C 1.749 177.200 175.510 -0.097 0.000 1.030 203 N CA 1.837 54.804 53.050 -0.138 0.000 0.849 203 N CB -1.057 37.383 38.487 -0.077 0.000 1.012 203 N HN 0.316 nan 8.380 nan 0.000 0.423 204 A N 0.342 123.148 122.820 -0.023 0.000 1.898 204 A HA 0.180 4.498 4.320 -0.002 0.000 0.216 204 A C 2.423 179.986 177.584 -0.035 0.000 1.181 204 A CA 1.550 53.595 52.037 0.013 0.000 0.620 204 A CB -1.393 17.628 19.000 0.034 0.000 0.819 204 A HN 0.459 nan 8.150 nan 0.000 0.442 205 G N 0.206 108.971 108.800 -0.058 0.000 2.440 205 G HA2 -0.297 3.661 3.960 -0.002 0.000 0.218 205 G HA3 -0.297 3.661 3.960 -0.002 0.000 0.218 205 G C 1.420 176.296 174.900 -0.040 0.000 1.154 205 G CA 1.114 46.195 45.100 -0.031 0.000 0.767 205 G HN 0.504 nan 8.290 nan 0.000 0.552 206 N N 1.277 119.933 118.700 -0.074 0.000 2.061 206 N HA -0.106 4.633 4.740 -0.002 0.000 0.193 206 N C 1.787 177.490 175.510 0.322 0.000 1.030 206 N CA 1.377 54.476 53.050 0.082 0.000 0.856 206 N CB -0.369 38.094 38.487 -0.041 0.000 1.023 206 N HN 0.261 nan 8.380 nan 0.000 0.424 207 D N 0.530 121.073 120.400 0.239 0.000 2.144 207 D HA -0.059 4.580 4.640 -0.002 0.000 0.200 207 D C 2.186 178.841 176.300 0.591 0.000 0.978 207 D CA 0.417 54.716 54.000 0.498 0.000 0.833 207 D CB -0.022 41.042 40.800 0.440 0.000 0.961 207 D HN 0.239 nan 8.370 nan 0.000 0.470 208 L N 0.530 121.835 121.223 0.137 0.000 1.994 208 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 208 L C 2.592 179.715 176.870 0.422 0.000 1.071 208 L CA 0.776 55.489 54.840 -0.211 0.000 0.745 208 L CB -0.336 41.150 42.059 -0.954 0.000 0.892 208 L HN -0.013 nan 8.230 nan 0.000 0.431 209 I N -1.369 119.426 120.570 0.375 0.000 2.163 209 I HA -0.374 3.794 4.170 -0.002 0.000 0.243 209 I C 2.574 178.972 176.117 0.468 0.000 1.085 209 I CA 1.629 63.200 61.300 0.450 0.000 1.347 209 I CB -0.488 37.695 38.000 0.306 0.000 1.044 209 I HN 0.191 nan 8.210 nan 0.000 0.408 210 Y N 1.974 122.502 120.300 0.381 0.000 2.145 210 Y HA -0.327 4.221 4.550 -0.003 0.000 0.286 210 Y C 2.907 179.067 175.900 0.434 0.000 1.145 210 Y CA 1.658 59.981 58.100 0.373 0.000 1.148 210 Y CB -0.630 38.092 38.460 0.437 0.000 0.981 210 Y HN 0.298 nan 8.280 nan 0.000 0.507 211 S N 0.291 116.263 115.700 0.453 0.000 2.356 211 S HA -0.201 4.267 4.470 -0.002 0.000 0.223 211 S C 2.289 177.001 174.600 0.186 0.000 1.032 211 S CA 1.194 59.500 58.200 0.178 0.000 1.005 211 S CB -1.279 62.217 63.200 0.494 0.000 0.867 211 S HN 0.515 nan 8.310 nan 0.000 0.449 212 A N 2.336 125.387 122.820 0.386 0.000 1.933 212 A HA -0.041 4.277 4.320 -0.002 0.000 0.218 212 A C 2.572 180.177 177.584 0.035 0.000 1.175 212 A CA 2.205 54.314 52.037 0.120 0.000 0.628 212 A CB -1.369 17.572 19.000 -0.099 0.000 0.814 212 A HN 0.889 nan 8.150 nan 0.000 0.444 213 S N -0.653 115.105 115.700 0.098 0.000 2.399 213 S HA -0.109 4.360 4.470 -0.002 0.000 0.231 213 S C 1.685 176.338 174.600 0.089 0.000 1.022 213 S CA 1.578 59.834 58.200 0.093 0.000 0.983 213 S CB -0.427 62.845 63.200 0.120 0.000 0.803 213 S HN 0.218 nan 8.310 nan 0.000 0.480 214 L N 0.630 121.865 121.223 0.019 0.000 2.179 214 L HA 0.287 4.626 4.340 -0.002 0.000 0.208 214 L C 2.338 179.248 176.870 0.068 0.000 1.096 214 L CA 0.930 55.808 54.840 0.063 0.000 0.779 214 L CB -1.209 40.880 42.059 0.050 0.000 0.922 214 L HN 0.359 nan 8.230 nan 0.000 0.443 215 L N -1.554 119.737 121.223 0.114 0.000 2.046 215 L HA -0.252 4.086 4.340 -0.002 0.000 0.208 215 L C 2.454 179.318 176.870 -0.010 0.000 1.077 215 L CA 1.710 56.625 54.840 0.125 0.000 0.747 215 L CB -0.824 41.370 42.059 0.226 0.000 0.896 215 L HN 0.351 nan 8.230 nan 0.000 0.432 216 Y N 0.484 120.717 120.300 -0.112 0.000 2.128 216 Y HA -0.308 4.240 4.550 -0.003 0.000 0.284 216 Y C 2.687 178.498 175.900 -0.148 0.000 1.154 216 Y CA 2.396 60.410 58.100 -0.144 0.000 1.149 216 Y CB -0.332 38.032 38.460 -0.160 0.000 0.976 216 Y HN 0.211 nan 8.280 nan 0.000 0.505 217 K N -1.025 119.197 120.400 -0.296 0.000 2.044 217 K HA -0.255 4.064 4.320 -0.002 0.000 0.210 217 K C 2.078 178.332 176.600 -0.577 0.000 1.049 217 K CA 2.127 58.166 56.287 -0.415 0.000 0.927 217 K CB -0.348 32.032 32.500 -0.200 0.000 0.713 217 K HN 0.540 nan 8.250 nan 0.000 0.443 218 H N -1.243 117.501 119.070 -0.544 0.000 2.431 218 H HA 0.064 4.620 4.556 -0.002 0.000 0.295 218 H C 1.442 176.510 175.328 -0.434 0.000 1.038 218 H CA 0.765 56.441 56.048 -0.620 0.000 1.360 218 H CB 0.643 29.625 29.762 -1.301 0.000 1.433 218 H HN 0.284 nan 8.280 nan 0.000 0.536 219 Q N 0.470 120.114 119.800 -0.260 0.000 2.217 219 Q HA 0.046 4.384 4.340 -0.002 0.000 0.217 219 Q C -0.062 175.849 176.000 -0.148 0.000 0.844 219 Q CA 0.008 55.731 55.803 -0.133 0.000 0.957 219 Q CB 1.070 29.800 28.738 -0.012 0.000 1.127 219 Q HN 0.239 nan 8.270 nan 0.000 0.503 220 Q N 1.047 120.673 119.800 -0.290 0.000 2.494 220 Q HA -0.154 4.184 4.340 -0.002 0.000 0.272 220 Q C -0.580 175.389 176.000 -0.052 0.000 1.145 220 Q CA 0.875 56.500 55.803 -0.297 0.000 0.943 220 Q CB -1.619 27.004 28.738 -0.193 0.000 1.338 220 Q HN 0.252 nan 8.270 nan 0.000 0.492 221 D N 0.386 120.787 120.400 0.000 0.000 2.374 221 D HA 0.040 4.678 4.640 -0.002 0.000 0.240 221 D C 0.824 177.147 176.300 0.039 0.000 1.229 221 D CA 0.042 54.057 54.000 0.025 0.000 0.895 221 D CB 0.714 41.519 40.800 0.009 0.000 1.046 221 D HN 0.181 nan 8.370 nan 0.000 0.498 222 Q N 2.483 122.285 119.800 0.003 0.000 2.230 222 Q HA -0.027 4.312 4.340 -0.002 0.000 0.202 222 Q C 1.846 177.702 176.000 -0.240 0.000 0.963 222 Q CA 0.781 56.537 55.803 -0.078 0.000 0.866 222 Q CB 0.009 28.726 28.738 -0.036 0.000 0.931 222 Q HN 0.639 nan 8.270 nan 0.000 0.452 223 G N 1.240 109.869 108.800 -0.285 0.000 2.446 223 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.217 223 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.217 223 G C 1.579 175.831 174.900 -1.078 0.000 1.168 223 G CA 1.234 46.074 45.100 -0.433 0.000 0.771 223 G HN 0.441 nan 8.290 nan 0.000 0.551 224 A N 0.327 122.249 122.820 -1.497 0.000 1.902 224 A HA 0.035 4.354 4.320 -0.002 0.000 0.217 224 A C 2.374 179.473 177.584 -0.808 0.000 1.181 224 A CA 1.772 52.849 52.037 -1.601 0.000 0.623 224 A CB -0.450 18.077 19.000 -0.789 0.000 0.818 224 A HN 0.470 nan 8.150 nan 0.000 0.443 225 L N -0.427 120.483 121.223 -0.521 0.000 2.056 225 L HA -0.076 4.263 4.340 -0.002 0.000 0.207 225 L C 2.442 179.082 176.870 -0.382 0.000 1.078 225 L CA 2.705 57.265 54.840 -0.467 0.000 0.749 225 L CB -1.038 40.545 42.059 -0.793 0.000 0.901 225 L HN 0.362 nan 8.230 nan 0.000 0.433 226 T N -1.065 113.261 114.554 -0.380 0.000 2.622 226 T HA -0.254 4.095 4.350 -0.002 0.000 0.266 226 T C 1.410 175.887 174.700 -0.372 0.000 1.047 226 T CA 2.358 64.243 62.100 -0.359 0.000 1.159 226 T CB -0.609 68.046 68.868 -0.356 0.000 0.863 226 T HN 0.508 nan 8.240 nan 0.000 0.422 227 W N 1.257 122.343 121.300 -0.357 0.000 2.402 227 W HA 0.159 4.819 4.660 -0.001 0.000 0.286 227 W C 2.783 179.237 176.519 -0.108 0.000 1.221 227 W CA 0.520 57.724 57.345 -0.234 0.000 1.257 227 W CB -0.646 28.695 29.460 -0.199 0.000 1.120 227 W HN 0.253 nan 8.180 nan 0.000 0.551 228 A N 0.798 123.605 122.820 -0.023 0.000 1.865 228 A HA -0.239 4.080 4.320 -0.002 0.000 0.217 228 A C 1.923 179.595 177.584 0.147 0.000 1.191 228 A CA 2.043 54.178 52.037 0.163 0.000 0.623 228 A CB -0.690 18.341 19.000 0.052 0.000 0.826 228 A HN 0.301 nan 8.150 nan 0.000 0.444 229 K N -0.949 119.465 120.400 0.024 0.000 2.057 229 K HA -0.130 4.188 4.320 -0.002 0.000 0.206 229 K C 2.383 179.020 176.600 0.062 0.000 1.050 229 K CA 1.375 57.706 56.287 0.072 0.000 0.935 229 K CB -0.183 32.307 32.500 -0.017 0.000 0.715 229 K HN 0.466 nan 8.250 nan 0.000 0.439 230 R N 1.057 121.501 120.500 -0.094 0.000 2.083 230 R HA -0.158 4.181 4.340 -0.002 0.000 0.237 230 R C 2.287 178.484 176.300 -0.172 0.000 1.137 230 R CA 1.204 57.159 56.100 -0.242 0.000 0.951 230 R CB -0.266 29.693 30.300 -0.568 0.000 0.851 230 R HN 0.086 nan 8.270 nan 0.000 0.434 231 L N 0.651 121.889 121.223 0.025 0.000 2.046 231 L HA -0.039 4.300 4.340 -0.002 0.000 0.208 231 L C 2.272 179.177 176.870 0.058 0.000 1.077 231 L CA 2.070 56.944 54.840 0.057 0.000 0.747 231 L CB -0.707 41.534 42.059 0.303 0.000 0.896 231 L HN 0.278 nan 8.230 nan 0.000 0.432 232 A N -0.869 122.030 122.820 0.132 0.000 1.883 232 A HA -0.294 4.024 4.320 -0.002 0.000 0.217 232 A C 2.133 179.658 177.584 -0.098 0.000 1.186 232 A CA 2.008 54.136 52.037 0.151 0.000 0.624 232 A CB -1.006 18.166 19.000 0.286 0.000 0.822 232 A HN 0.525 nan 8.150 nan 0.000 0.444 233 D N -0.929 119.287 120.400 -0.307 0.000 2.178 233 D HA -0.141 4.498 4.640 -0.002 0.000 0.201 233 D C 2.036 178.010 176.300 -0.543 0.000 0.980 233 D CA 1.106 54.700 54.000 -0.678 0.000 0.842 233 D CB -0.116 40.406 40.800 -0.465 0.000 0.948 233 D HN 0.312 nan 8.370 nan 0.000 0.472 234 Q N -0.673 118.789 119.800 -0.564 0.000 2.197 234 Q HA -0.190 4.149 4.340 -0.002 0.000 0.207 234 Q C 1.721 177.187 176.000 -0.889 0.000 0.984 234 Q CA 1.119 56.350 55.803 -0.954 0.000 0.869 234 Q CB -0.593 27.013 28.738 -1.886 0.000 0.906 234 Q HN 0.588 nan 8.270 nan 0.000 0.426 235 Y N -1.085 118.932 120.300 -0.472 0.000 2.511 235 Y HA 0.009 4.557 4.550 -0.003 0.000 0.279 235 Y C 2.055 177.800 175.900 -0.259 0.000 1.157 235 Y CA 0.119 58.072 58.100 -0.246 0.000 1.300 235 Y CB 0.533 38.904 38.460 -0.149 0.000 1.052 235 Y HN -0.137 nan 8.280 nan 0.000 0.529 236 V N -1.156 118.591 119.914 -0.277 0.000 2.922 236 V HA -0.109 4.010 4.120 -0.002 0.000 0.242 236 V C 1.971 177.890 176.094 -0.293 0.000 1.094 236 V CA 0.653 62.742 62.300 -0.352 0.000 1.106 236 V CB -0.199 31.142 31.823 -0.803 0.000 0.799 236 V HN 0.283 nan 8.190 nan 0.000 0.474 237 L N 0.764 121.795 121.223 -0.320 0.000 2.079 237 L HA -0.096 4.243 4.340 -0.002 0.000 0.210 237 L C -0.347 176.441 176.870 -0.136 0.000 1.081 237 L CA 1.663 56.376 54.840 -0.213 0.000 0.752 237 L CB -1.402 40.537 42.059 -0.200 0.000 0.896 237 L HN 0.432 nan 8.230 nan 0.000 0.433 238 P HA 0.042 nan 4.420 nan 0.000 0.257 238 P C -0.062 177.251 177.300 0.022 0.000 1.281 238 P CA 0.021 63.047 63.100 -0.125 0.000 0.826 238 P CB 0.099 31.501 31.700 -0.495 0.000 1.237 239 R N 1.346 121.846 120.500 -0.000 0.000 2.623 239 R HA 0.040 4.379 4.340 -0.002 0.000 0.271 239 R C 0.600 176.938 176.300 0.064 0.000 1.043 239 R CA 0.033 56.163 56.100 0.050 0.000 1.083 239 R CB 0.009 30.328 30.300 0.031 0.000 0.974 239 R HN 0.187 nan 8.270 nan 0.000 0.436 240 D N 1.764 122.204 120.400 0.066 0.000 2.487 240 D HA -0.070 4.569 4.640 -0.002 0.000 0.243 240 D C 0.694 177.016 176.300 0.035 0.000 1.154 240 D CA 0.179 54.205 54.000 0.043 0.000 0.876 240 D CB 1.033 41.829 40.800 -0.006 0.000 1.161 240 D HN 0.617 nan 8.370 nan 0.000 0.478 241 A N 4.979 127.823 122.820 0.041 0.000 2.015 241 A HA -0.171 4.148 4.320 -0.002 0.000 0.219 241 A C 2.050 179.662 177.584 0.047 0.000 1.163 241 A CA 1.232 53.295 52.037 0.044 0.000 0.646 241 A CB -0.117 18.909 19.000 0.043 0.000 0.806 241 A HN 0.700 nan 8.150 nan 0.000 0.448 242 K N -0.597 119.825 120.400 0.037 0.000 2.099 242 K HA -0.084 4.235 4.320 -0.002 0.000 0.203 242 K C 2.071 178.702 176.600 0.052 0.000 1.047 242 K CA 1.727 58.044 56.287 0.050 0.000 0.963 242 K CB -0.212 32.313 32.500 0.042 0.000 0.759 242 K HN 0.523 nan 8.250 nan 0.000 0.451 243 T N -3.408 111.115 114.554 -0.052 0.000 3.035 243 T HA 0.169 4.518 4.350 -0.002 0.000 0.259 243 T C 1.471 176.162 174.700 -0.015 0.000 1.078 243 T CA 0.848 62.826 62.100 -0.203 0.000 1.132 243 T CB 0.093 68.531 68.868 -0.717 0.000 0.900 243 T HN 0.433 nan 8.240 nan 0.000 0.480 244 G N 1.391 110.208 108.800 0.028 0.000 2.184 244 G HA2 -0.223 3.735 3.960 -0.002 0.000 0.264 244 G HA3 -0.223 3.735 3.960 -0.002 0.000 0.264 244 G C 0.019 174.985 174.900 0.111 0.000 0.975 244 G CA 0.398 45.551 45.100 0.088 0.000 0.642 244 G HN 0.650 nan 8.290 nan 0.000 0.536 245 L N 0.211 121.472 121.223 0.063 0.000 2.466 245 L HA 0.587 4.926 4.340 -0.002 0.000 0.257 245 L C 1.435 178.385 176.870 0.133 0.000 1.189 245 L CA 0.646 55.565 54.840 0.132 0.000 0.813 245 L CB 0.742 42.834 42.059 0.055 0.000 1.118 245 L HN 1.227 nan 8.230 nan 0.000 0.471 246 G N 0.311 109.210 108.800 0.165 0.000 2.757 246 G HA2 0.040 3.999 3.960 -0.002 0.000 0.638 246 G HA3 0.040 3.999 3.960 -0.002 0.000 0.638 246 G C -1.034 173.899 174.900 0.056 0.000 1.344 246 G CA -0.474 44.690 45.100 0.106 0.000 0.855 246 G HN 1.027 nan 8.290 nan 0.000 0.537 247 V N -3.221 116.738 119.914 0.074 0.000 2.962 247 V HA 0.771 4.890 4.120 -0.002 0.000 0.313 247 V C 0.946 177.176 176.094 0.226 0.000 1.099 247 V CA -0.131 62.272 62.300 0.172 0.000 0.971 247 V CB 1.819 33.767 31.823 0.209 0.000 1.028 247 V HN 1.613 nan 8.190 nan 0.000 0.430 248 Y N 2.206 122.580 120.300 0.123 0.000 2.420 248 Y HA 0.260 4.809 4.550 -0.003 0.000 0.292 248 Y C 1.068 177.147 175.900 0.298 0.000 1.119 248 Y CA 1.436 59.607 58.100 0.118 0.000 1.229 248 Y CB 0.420 38.909 38.460 0.048 0.000 1.026 248 Y HN 0.842 nan 8.280 nan 0.000 0.554 249 Q N -1.041 118.927 119.800 0.281 0.000 2.418 249 Q HA 0.233 4.572 4.340 -0.002 0.000 0.282 249 Q C -0.853 175.105 176.000 -0.071 0.000 1.044 249 Q CA -0.691 55.165 55.803 0.088 0.000 0.813 249 Q CB 0.568 29.328 28.738 0.038 0.000 1.428 249 Q HN 0.261 nan 8.270 nan 0.000 0.402 250 F N -1.489 118.175 119.950 -0.477 0.000 2.678 250 F HA 0.342 4.867 4.527 -0.003 0.000 0.305 250 F C 0.288 175.631 175.800 -0.762 0.000 1.090 250 F CA 0.085 57.636 58.000 -0.748 0.000 1.272 250 F CB 0.672 39.225 39.000 -0.744 0.000 1.060 250 F HN 0.563 nan 8.300 nan 0.000 0.576 251 T N -0.825 113.227 114.554 -0.836 0.000 2.926 251 T HA 0.605 4.953 4.350 -0.002 0.000 0.289 251 T C -0.906 173.658 174.700 -0.227 0.000 1.054 251 T CA -0.785 60.863 62.100 -0.754 0.000 1.015 251 T CB 2.249 70.492 68.868 -1.042 0.000 1.167 251 T HN 0.443 nan 8.240 nan 0.000 0.526 252 Q N 0.652 120.365 119.800 -0.145 0.000 2.377 252 Q HA 0.723 5.062 4.340 -0.002 0.000 0.271 252 Q C -0.616 175.332 176.000 -0.086 0.000 1.077 252 Q CA -1.487 54.293 55.803 -0.039 0.000 0.820 252 Q CB 1.896 30.653 28.738 0.032 0.000 1.347 252 Q HN 0.954 nan 8.270 nan 0.000 0.444 253 A N 2.244 125.026 122.820 -0.064 0.000 2.520 253 A HA 0.219 4.537 4.320 -0.002 0.000 0.245 253 A C -0.320 177.247 177.584 -0.028 0.000 1.072 253 A CA -0.433 51.565 52.037 -0.065 0.000 0.761 253 A CB -0.046 18.921 19.000 -0.055 0.000 1.004 253 A HN 0.690 nan 8.150 nan 0.000 0.499 254 L N 2.580 123.787 121.223 -0.027 0.000 2.361 254 L HA 0.229 4.568 4.340 -0.002 0.000 0.278 254 L C 0.680 177.549 176.870 -0.002 0.000 1.113 254 L CA 0.241 55.080 54.840 -0.001 0.000 0.849 254 L CB 0.370 42.432 42.059 0.005 0.000 1.155 254 L HN 0.677 nan 8.230 nan 0.000 0.452 255 K N 5.292 125.703 120.400 0.020 0.000 2.349 255 K HA 0.209 4.527 4.320 -0.002 0.000 0.288 255 K C 0.354 176.965 176.600 0.018 0.000 1.058 255 K CA 0.167 56.473 56.287 0.033 0.000 0.953 255 K CB 0.369 32.906 32.500 0.062 0.000 0.997 255 K HN 0.744 nan 8.250 nan 0.000 0.477 256 R N 2.459 122.954 120.500 -0.008 0.000 2.541 256 R HA 0.146 4.484 4.340 -0.002 0.000 0.332 256 R C -0.477 175.817 176.300 -0.009 0.000 0.951 256 R CA -0.029 56.061 56.100 -0.016 0.000 1.136 256 R CB 0.955 31.230 30.300 -0.041 0.000 1.449 256 R HN 0.620 nan 8.270 nan 0.000 0.531 257 E N 0.526 120.735 120.200 0.015 0.000 2.367 257 E HA 0.213 4.561 4.350 -0.002 0.000 0.273 257 E C -1.094 175.674 176.600 0.280 0.000 0.903 257 E CA -0.792 55.680 56.400 0.120 0.000 0.764 257 E CB 2.159 31.907 29.700 0.081 0.000 1.252 257 E HN -0.068 nan 8.360 nan 0.000 0.446 258 E N 2.869 123.214 120.200 0.242 0.000 2.259 258 E HA 0.218 4.567 4.350 -0.002 0.000 0.281 258 E C -2.172 174.524 176.600 0.160 0.000 1.027 258 E CA -1.916 54.596 56.400 0.187 0.000 0.838 258 E CB 0.638 30.393 29.700 0.092 0.000 1.066 258 E HN 0.231 nan 8.360 nan 0.000 0.401 259 P HA 0.065 nan 4.420 nan 0.000 0.275 259 P C 0.332 177.467 177.300 -0.274 0.000 1.228 259 P CA -0.032 62.805 63.100 -0.438 0.000 0.786 259 P CB 0.845 32.359 31.700 -0.310 0.000 0.927 260 T N -2.424 111.921 114.554 -0.350 0.000 2.969 260 T HA 0.244 4.593 4.350 -0.002 0.000 0.258 260 T C -0.231 174.377 174.700 -0.154 0.000 0.962 260 T CA -0.085 61.909 62.100 -0.177 0.000 0.903 260 T CB -0.148 68.656 68.868 -0.108 0.000 1.177 260 T HN 0.270 nan 8.240 nan 0.000 0.511 261 D N 1.215 121.488 120.400 -0.212 0.000 2.788 261 D HA 0.422 5.061 4.640 -0.002 0.000 0.247 261 D C -0.254 175.975 176.300 -0.117 0.000 1.236 261 D CA -0.553 53.371 54.000 -0.127 0.000 0.898 261 D CB 1.919 42.671 40.800 -0.080 0.000 1.401 261 D HN -0.224 nan 8.370 nan 0.000 0.549 262 D N 1.449 121.809 120.400 -0.066 0.000 2.133 262 D HA -0.171 4.468 4.640 -0.002 0.000 0.195 262 D C 1.848 178.144 176.300 -0.007 0.000 0.997 262 D CA 1.019 54.998 54.000 -0.034 0.000 0.840 262 D CB 0.008 40.795 40.800 -0.021 0.000 0.947 262 D HN 0.469 nan 8.370 nan 0.000 0.452 263 A N 0.084 122.903 122.820 -0.002 0.000 2.208 263 A HA -0.058 4.261 4.320 -0.002 0.000 0.209 263 A C 0.828 178.440 177.584 0.047 0.000 1.161 263 A CA 0.137 52.188 52.037 0.023 0.000 0.782 263 A CB 0.066 19.077 19.000 0.018 0.000 0.816 263 A HN -0.022 nan 8.150 nan 0.000 0.477 264 D N 1.171 121.596 120.400 0.042 0.000 2.441 264 D HA 0.163 4.801 4.640 -0.002 0.000 0.221 264 D C 0.618 177.020 176.300 0.169 0.000 1.156 264 D CA 0.514 54.592 54.000 0.130 0.000 0.896 264 D CB 0.590 41.463 40.800 0.123 0.000 1.028 264 D HN 0.185 nan 8.370 nan 0.000 0.509 265 T N 0.351 114.993 114.554 0.146 0.000 3.243 265 T HA 0.165 4.513 4.350 -0.002 0.000 0.264 265 T C 0.462 175.205 174.700 0.071 0.000 1.000 265 T CA -0.523 61.648 62.100 0.119 0.000 0.901 265 T CB -0.623 68.311 68.868 0.110 0.000 1.083 265 T HN 0.255 nan 8.240 nan 0.000 0.559 266 H N 1.960 121.171 119.070 0.236 0.000 2.928 266 H HA 0.210 4.764 4.556 -0.003 0.000 0.338 266 H C 1.783 177.130 175.328 0.033 0.000 1.047 266 H CA 0.884 56.998 56.048 0.109 0.000 1.435 266 H CB 1.026 30.821 29.762 0.054 0.000 1.428 266 H HN 0.395 nan 8.280 nan 0.000 0.590 267 S N 3.076 118.803 115.700 0.045 0.000 2.474 267 S HA -0.183 4.285 4.470 -0.002 0.000 0.235 267 S C 1.850 176.415 174.600 -0.059 0.000 0.997 267 S CA 0.849 59.033 58.200 -0.026 0.000 0.949 267 S CB -0.075 63.087 63.200 -0.062 0.000 0.766 267 S HN 0.753 nan 8.310 nan 0.000 0.517 268 K N 0.748 121.046 120.400 -0.169 0.000 2.362 268 K HA -0.041 4.277 4.320 -0.002 0.000 0.200 268 K C 0.658 177.071 176.600 -0.312 0.000 1.046 268 K CA 0.758 56.874 56.287 -0.285 0.000 0.952 268 K CB -0.620 31.643 32.500 -0.394 0.000 0.753 268 K HN 0.486 nan 8.250 nan 0.000 0.466 269 F N 1.485 121.457 119.950 0.037 0.000 2.797 269 F HA 0.264 4.789 4.527 -0.002 0.000 0.302 269 F C 1.430 177.245 175.800 0.025 0.000 1.130 269 F CA 0.552 58.572 58.000 0.032 0.000 1.387 269 F CB -0.017 39.010 39.000 0.044 0.000 1.107 269 F HN 0.366 nan 8.300 nan 0.000 0.577 270 G N -0.140 108.739 108.800 0.133 0.000 2.525 270 G HA2 -0.170 3.788 3.960 -0.002 0.000 0.685 270 G HA3 -0.170 3.788 3.960 -0.002 0.000 0.685 270 G C -1.145 173.798 174.900 0.072 0.000 1.290 270 G CA -0.882 44.270 45.100 0.088 0.000 0.915 270 G HN 0.066 nan 8.290 nan 0.000 0.548 271 D N -0.114 120.320 120.400 0.056 0.000 2.487 271 D HA 0.161 4.799 4.640 -0.002 0.000 0.243 271 D C 1.648 178.006 176.300 0.097 0.000 1.154 271 D CA 0.037 54.071 54.000 0.056 0.000 0.876 271 D CB 0.727 41.553 40.800 0.043 0.000 1.161 271 D HN 0.412 nan 8.370 nan 0.000 0.478 272 R N 2.913 123.466 120.500 0.088 0.000 2.153 272 R HA 0.026 4.364 4.340 -0.002 0.000 0.218 272 R C 1.944 178.466 176.300 0.369 0.000 1.072 272 R CA 1.212 57.392 56.100 0.134 0.000 0.990 272 R CB -0.209 30.022 30.300 -0.114 0.000 0.889 272 R HN 0.507 nan 8.270 nan 0.000 0.452 273 A N 0.110 123.204 122.820 0.457 0.000 1.929 273 A HA -0.153 4.165 4.320 -0.002 0.000 0.216 273 A C 2.024 179.817 177.584 0.347 0.000 1.176 273 A CA 1.142 53.486 52.037 0.512 0.000 0.628 273 A CB -0.300 18.829 19.000 0.215 0.000 0.816 273 A HN 0.213 nan 8.150 nan 0.000 0.444 274 Q N 0.217 120.139 119.800 0.202 0.000 2.167 274 Q HA -0.084 4.255 4.340 -0.002 0.000 0.202 274 Q C 2.086 178.187 176.000 0.167 0.000 0.970 274 Q CA 1.698 57.592 55.803 0.152 0.000 0.855 274 Q CB -0.291 28.497 28.738 0.084 0.000 0.911 274 Q HN 0.668 nan 8.270 nan 0.000 0.438 275 R N -0.603 120.000 120.500 0.171 0.000 2.066 275 R HA -0.115 4.224 4.340 -0.002 0.000 0.232 275 R C 2.293 178.669 176.300 0.127 0.000 1.131 275 R CA 1.697 57.877 56.100 0.134 0.000 0.955 275 R CB -0.199 30.173 30.300 0.120 0.000 0.851 275 R HN 0.395 nan 8.270 nan 0.000 0.432 276 Q N -0.930 118.975 119.800 0.175 0.000 2.354 276 Q HA -0.012 4.327 4.340 -0.002 0.000 0.203 276 Q C 0.797 176.698 176.000 -0.166 0.000 0.933 276 Q CA 0.985 56.795 55.803 0.011 0.000 0.901 276 Q CB 0.439 29.196 28.738 0.033 0.000 1.007 276 Q HN 0.245 nan 8.270 nan 0.000 0.495 277 F N -2.381 117.671 119.950 0.170 0.000 2.740 277 F HA 0.325 4.851 4.527 -0.003 0.000 0.304 277 F C 1.924 177.891 175.800 0.279 0.000 1.098 277 F CA 0.210 58.344 58.000 0.224 0.000 1.258 277 F CB -0.035 38.937 39.000 -0.047 0.000 1.061 277 F HN 0.088 nan 8.300 nan 0.000 0.598 278 G N 2.089 111.081 108.800 0.320 0.000 2.513 278 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.219 278 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.219 278 G C -0.724 174.278 174.900 0.170 0.000 1.160 278 G CA 1.119 46.347 45.100 0.215 0.000 0.767 278 G HN 0.212 nan 8.290 nan 0.000 0.571 279 P HA -0.014 nan 4.420 nan 0.000 0.216 279 P C 1.340 178.665 177.300 0.043 0.000 1.150 279 P CA 1.341 64.487 63.100 0.077 0.000 0.837 279 P CB 0.083 31.819 31.700 0.060 0.000 0.786 280 E N -2.557 117.674 120.200 0.051 0.000 2.276 280 E HA 0.099 4.447 4.350 -0.002 0.000 0.193 280 E C 1.160 177.554 176.600 -0.345 0.000 0.983 280 E CA 0.662 56.958 56.400 -0.174 0.000 0.861 280 E CB -0.364 29.166 29.700 -0.285 0.000 0.817 280 E HN 0.291 nan 8.360 nan 0.000 0.485 281 F N -0.643 119.330 119.950 0.038 0.000 2.727 281 F HA 0.403 4.929 4.527 -0.002 0.000 0.302 281 F C 1.304 177.105 175.800 0.002 0.000 1.107 281 F CA 0.352 58.358 58.000 0.009 0.000 1.277 281 F CB 0.723 39.730 39.000 0.012 0.000 1.079 281 F HN 0.069 nan 8.300 nan 0.000 0.594 282 G N 1.089 109.987 108.800 0.164 0.000 2.660 282 G HA2 -0.219 3.739 3.960 -0.002 0.000 0.215 282 G HA3 -0.219 3.739 3.960 -0.002 0.000 0.215 282 G C -2.105 172.839 174.900 0.074 0.000 1.345 282 G CA -0.504 44.650 45.100 0.090 0.000 0.877 282 G HN 0.003 nan 8.290 nan 0.000 0.549 283 P HA -0.052 nan 4.420 nan 0.000 0.218 283 P C 1.974 179.250 177.300 -0.040 0.000 1.146 283 P CA 2.738 65.842 63.100 0.007 0.000 0.813 283 P CB -0.213 31.492 31.700 0.009 0.000 0.778 284 T N -4.007 110.525 114.554 -0.037 0.000 3.113 284 T HA 0.228 4.576 4.350 -0.002 0.000 0.256 284 T C 1.045 175.652 174.700 -0.155 0.000 1.131 284 T CA 0.048 62.086 62.100 -0.104 0.000 1.074 284 T CB -0.647 68.180 68.868 -0.068 0.000 0.944 284 T HN 0.040 nan 8.240 nan 0.000 0.516 285 A N 1.960 124.724 122.820 -0.092 0.000 2.545 285 A HA 0.616 4.934 4.320 -0.002 0.000 0.297 285 A C -0.175 177.333 177.584 -0.125 0.000 1.340 285 A CA -0.287 51.672 52.037 -0.129 0.000 1.016 285 A CB -0.722 18.286 19.000 0.014 0.000 1.122 285 A HN 0.629 nan 8.150 nan 0.000 0.537 286 L N 1.577 122.669 121.223 -0.218 0.000 2.445 286 L HA 0.305 4.644 4.340 -0.002 0.000 0.262 286 L C 1.061 177.860 176.870 -0.119 0.000 0.974 286 L CA -0.655 54.051 54.840 -0.223 0.000 0.822 286 L CB 1.994 43.709 42.059 -0.573 0.000 1.339 286 L HN 0.784 nan 8.230 nan 0.000 0.409 287 E N 1.919 122.153 120.200 0.057 0.000 2.086 287 E HA -0.234 4.114 4.350 -0.002 0.000 0.200 287 E C 1.768 178.511 176.600 0.239 0.000 1.012 287 E CA 1.853 58.390 56.400 0.229 0.000 0.812 287 E CB -0.009 29.878 29.700 0.312 0.000 0.743 287 E HN 0.957 nan 8.360 nan 0.000 0.453 288 G N 0.793 109.776 108.800 0.304 0.000 2.479 288 G HA2 -0.250 3.708 3.960 -0.002 0.000 0.220 288 G HA3 -0.250 3.708 3.960 -0.002 0.000 0.220 288 G C 1.309 176.394 174.900 0.309 0.000 1.115 288 G CA 0.714 46.090 45.100 0.460 0.000 0.757 288 G HN 0.135 nan 8.290 nan 0.000 0.560 289 N N -0.074 118.681 118.700 0.091 0.000 2.280 289 N HA 0.102 4.840 4.740 -0.002 0.000 0.192 289 N C 0.522 175.969 175.510 -0.106 0.000 1.109 289 N CA 0.080 53.125 53.050 -0.008 0.000 0.855 289 N CB 0.176 38.582 38.487 -0.135 0.000 0.974 289 N HN 0.154 nan 8.380 nan 0.000 0.482 290 M N 1.350 120.866 119.600 -0.139 0.000 2.383 290 M HA 0.201 4.680 4.480 -0.002 0.000 0.337 290 M C 0.096 176.286 176.300 -0.183 0.000 1.422 290 M CA 0.243 55.371 55.300 -0.288 0.000 1.333 290 M CB -0.061 32.252 32.600 -0.479 0.000 1.488 290 M HN -0.159 nan 8.290 nan 0.000 0.454 291 M N 5.145 124.671 119.600 -0.123 0.000 3.436 291 M HA 0.318 4.796 4.480 -0.002 0.000 0.240 291 M C -0.340 175.969 176.300 0.015 0.000 1.469 291 M CA 0.241 55.532 55.300 -0.016 0.000 1.622 291 M CB -1.182 31.480 32.600 0.103 0.000 1.098 291 M HN 0.502 nan 8.290 nan 0.000 0.568 292 L N 0.549 121.719 121.223 -0.087 0.000 2.334 292 L HA 0.498 4.837 4.340 -0.002 0.000 0.270 292 L C 0.814 177.565 176.870 -0.198 0.000 1.018 292 L CA -0.991 53.788 54.840 -0.101 0.000 0.811 292 L CB 1.618 43.582 42.059 -0.159 0.000 1.271 292 L HN 0.394 nan 8.230 nan 0.000 0.443 293 K N 0.396 120.532 120.400 -0.440 0.000 2.561 293 K HA 0.067 4.385 4.320 -0.002 0.000 0.280 293 K C 0.983 177.374 176.600 -0.347 0.000 0.975 293 K CA 1.281 57.145 56.287 -0.705 0.000 1.024 293 K CB 0.176 32.132 32.500 -0.906 0.000 0.883 293 K HN 0.794 nan 8.250 nan 0.000 0.496 294 G N 3.849 112.506 108.800 -0.239 0.000 3.329 294 G HA2 -0.341 3.617 3.960 -0.002 0.000 0.220 294 G HA3 -0.341 3.617 3.960 -0.002 0.000 0.220 294 G C 1.004 175.773 174.900 -0.217 0.000 1.358 294 G CA 0.237 45.217 45.100 -0.200 0.000 0.856 294 G HN 0.657 nan 8.290 nan 0.000 0.551 295 R N 1.205 121.506 120.500 -0.331 0.000 2.120 295 R HA -0.030 4.308 4.340 -0.002 0.000 0.234 295 R C 2.783 178.963 176.300 -0.201 0.000 1.123 295 R CA 2.302 58.128 56.100 -0.456 0.000 0.975 295 R CB -1.547 28.354 30.300 -0.665 0.000 0.866 295 R HN 0.803 nan 8.270 nan 0.000 0.446 296 T N -2.145 112.339 114.554 -0.117 0.000 3.043 296 T HA 0.087 4.435 4.350 -0.002 0.000 0.263 296 T C 1.978 176.755 174.700 0.129 0.000 1.094 296 T CA 0.777 62.838 62.100 -0.065 0.000 1.127 296 T CB 0.032 68.900 68.868 0.000 0.000 0.905 296 T HN 0.013 nan 8.240 nan 0.000 0.490 297 S N 1.781 117.558 115.700 0.129 0.000 2.355 297 S HA -0.077 4.391 4.470 -0.002 0.000 0.222 297 S C 2.312 176.843 174.600 -0.116 0.000 1.031 297 S CA 1.521 59.705 58.200 -0.027 0.000 0.993 297 S CB -0.889 62.240 63.200 -0.118 0.000 0.859 297 S HN 0.607 nan 8.310 nan 0.000 0.453 298 T N 2.616 117.112 114.554 -0.096 0.000 2.720 298 T HA -0.061 4.288 4.350 -0.002 0.000 0.268 298 T C 1.727 176.342 174.700 -0.142 0.000 1.037 298 T CA 1.138 63.184 62.100 -0.090 0.000 1.144 298 T CB -0.353 68.547 68.868 0.053 0.000 0.864 298 T HN 0.132 nan 8.240 nan 0.000 0.444 299 L N -0.345 120.755 121.223 -0.206 0.000 2.068 299 L HA 0.135 4.474 4.340 -0.002 0.000 0.204 299 L C 1.394 177.989 176.870 -0.459 0.000 1.076 299 L CA 1.696 56.270 54.840 -0.443 0.000 0.753 299 L CB -0.546 41.059 42.059 -0.756 0.000 0.910 299 L HN 0.249 nan 8.230 nan 0.000 0.439 300 Y N -2.033 118.211 120.300 -0.094 0.000 2.467 300 Y HA 0.290 4.839 4.550 -0.002 0.000 0.250 300 Y C 2.214 178.131 175.900 0.029 0.000 1.155 300 Y CA 0.447 58.528 58.100 -0.031 0.000 1.249 300 Y CB 0.052 38.452 38.460 -0.100 0.000 1.146 300 Y HN 0.215 nan 8.280 nan 0.000 0.524 301 S N -0.338 115.360 115.700 -0.005 0.000 3.049 301 S HA 0.024 4.493 4.470 -0.002 0.000 0.182 301 S C 1.616 176.133 174.600 -0.139 0.000 0.725 301 S CA 0.499 58.594 58.200 -0.174 0.000 0.811 301 S CB -0.293 62.632 63.200 -0.459 0.000 0.801 301 S HN 0.170 nan 8.310 nan 0.000 0.627 302 E N 2.101 122.214 120.200 -0.145 0.000 2.049 302 E HA -0.161 4.188 4.350 -0.002 0.000 0.198 302 E C 2.045 178.661 176.600 0.027 0.000 1.007 302 E CA 1.666 58.034 56.400 -0.054 0.000 0.809 302 E CB -0.313 29.321 29.700 -0.111 0.000 0.749 302 E HN 0.570 nan 8.360 nan 0.000 0.450 303 N N -0.137 118.539 118.700 -0.040 0.000 2.120 303 N HA -0.185 4.553 4.740 -0.002 0.000 0.188 303 N C 1.749 177.238 175.510 -0.035 0.000 1.024 303 N CA 1.379 54.407 53.050 -0.038 0.000 0.852 303 N CB -0.043 38.358 38.487 -0.144 0.000 1.003 303 N HN 0.179 nan 8.380 nan 0.000 0.424 304 A N 1.908 124.701 122.820 -0.045 0.000 1.858 304 A HA -0.072 4.246 4.320 -0.002 0.000 0.216 304 A C 2.468 180.018 177.584 -0.056 0.000 1.190 304 A CA 0.913 52.935 52.037 -0.026 0.000 0.617 304 A CB -0.827 18.169 19.000 -0.006 0.000 0.827 304 A HN 0.322 nan 8.150 nan 0.000 0.443 305 L N -1.128 120.037 121.223 -0.098 0.000 2.042 305 L HA -0.235 4.104 4.340 -0.002 0.000 0.210 305 L C 2.890 179.652 176.870 -0.181 0.000 1.076 305 L CA 1.797 56.548 54.840 -0.148 0.000 0.749 305 L CB -0.591 41.331 42.059 -0.228 0.000 0.893 305 L HN 0.513 nan 8.230 nan 0.000 0.432 306 M N -0.145 119.318 119.600 -0.229 0.000 2.099 306 M HA -0.205 4.273 4.480 -0.002 0.000 0.262 306 M C 2.200 178.450 176.300 -0.082 0.000 1.067 306 M CA 1.866 56.999 55.300 -0.278 0.000 1.124 306 M CB -0.436 31.897 32.600 -0.445 0.000 1.353 306 M HN 0.307 nan 8.290 nan 0.000 0.410 307 Q N 0.075 119.858 119.800 -0.028 0.000 2.167 307 Q HA -0.101 4.238 4.340 -0.002 0.000 0.202 307 Q C 2.142 178.143 176.000 0.003 0.000 0.970 307 Q CA 1.214 57.030 55.803 0.022 0.000 0.855 307 Q CB -0.082 28.693 28.738 0.061 0.000 0.911 307 Q HN 0.534 nan 8.270 nan 0.000 0.438 308 L N 0.248 121.462 121.223 -0.015 0.000 2.017 308 L HA -0.238 4.100 4.340 -0.002 0.000 0.208 308 L C 2.590 179.452 176.870 -0.014 0.000 1.073 308 L CA 1.165 55.995 54.840 -0.016 0.000 0.745 308 L CB -0.377 41.672 42.059 -0.018 0.000 0.894 308 L HN 0.209 nan 8.230 nan 0.000 0.432 309 Q N 0.257 120.043 119.800 -0.023 0.000 2.079 309 Q HA -0.212 4.127 4.340 -0.002 0.000 0.200 309 Q C 2.027 178.040 176.000 0.021 0.000 0.974 309 Q CA 1.640 57.441 55.803 -0.005 0.000 0.840 309 Q CB -0.426 28.300 28.738 -0.019 0.000 0.898 309 Q HN 0.314 nan 8.270 nan 0.000 0.430 310 L N -0.099 121.144 121.223 0.032 0.000 2.012 310 L HA -0.025 4.314 4.340 -0.002 0.000 0.210 310 L C 2.067 178.943 176.870 0.010 0.000 1.073 310 L CA 2.579 57.448 54.840 0.048 0.000 0.748 310 L CB -1.325 40.780 42.059 0.076 0.000 0.891 310 L HN 0.322 nan 8.230 nan 0.000 0.431 311 G N -0.701 108.090 108.800 -0.015 0.000 2.469 311 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.219 311 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.219 311 G C 1.676 176.551 174.900 -0.041 0.000 1.150 311 G CA 0.991 46.060 45.100 -0.053 0.000 0.763 311 G HN 0.445 nan 8.290 nan 0.000 0.561 312 K N 0.234 120.624 120.400 -0.018 0.000 2.057 312 K HA -0.055 4.264 4.320 -0.002 0.000 0.206 312 K C 2.133 178.733 176.600 0.000 0.000 1.050 312 K CA 1.205 57.487 56.287 -0.008 0.000 0.935 312 K CB -0.185 32.319 32.500 0.006 0.000 0.715 312 K HN 0.135 nan 8.250 nan 0.000 0.439 313 D N 1.216 121.623 120.400 0.012 0.000 2.149 313 D HA -0.132 4.506 4.640 -0.002 0.000 0.198 313 D C 1.700 178.014 176.300 0.024 0.000 0.990 313 D CA 1.005 55.019 54.000 0.023 0.000 0.839 313 D CB -0.087 40.739 40.800 0.043 0.000 0.948 313 D HN 0.140 nan 8.370 nan 0.000 0.460 314 L N -0.272 120.957 121.223 0.010 0.000 2.599 314 L HA 0.148 4.487 4.340 -0.002 0.000 0.230 314 L C 1.746 178.603 176.870 -0.021 0.000 1.141 314 L CA 0.110 54.950 54.840 0.001 0.000 0.877 314 L CB -0.478 41.553 42.059 -0.047 0.000 1.009 314 L HN 0.084 nan 8.230 nan 0.000 0.447 315 G N 1.349 110.136 108.800 -0.022 0.000 2.660 315 G HA2 -0.357 3.601 3.960 -0.002 0.000 0.321 315 G HA3 -0.357 3.601 3.960 -0.002 0.000 0.321 315 G C -1.336 173.534 174.900 -0.050 0.000 1.246 315 G CA 0.476 45.559 45.100 -0.029 0.000 1.000 315 G HN 0.245 nan 8.290 nan 0.000 0.550 316 P HA 0.018 nan 4.420 nan 0.000 0.217 316 P C 1.738 178.984 177.300 -0.089 0.000 1.150 316 P CA 2.152 65.214 63.100 -0.063 0.000 0.832 316 P CB -0.210 31.459 31.700 -0.050 0.000 0.787 317 Q N -0.952 118.790 119.800 -0.096 0.000 2.365 317 Q HA 0.173 4.511 4.340 -0.002 0.000 0.203 317 Q C 1.420 177.320 176.000 -0.167 0.000 0.929 317 Q CA 0.740 56.464 55.803 -0.132 0.000 0.948 317 Q CB -0.721 27.936 28.738 -0.136 0.000 1.043 317 Q HN 0.101 nan 8.270 nan 0.000 0.505 318 G N 0.069 108.782 108.800 -0.146 0.000 3.088 318 G HA2 -0.055 3.903 3.960 -0.002 0.000 0.217 318 G HA3 -0.055 3.903 3.960 -0.002 0.000 0.217 318 G C 1.235 176.010 174.900 -0.208 0.000 1.159 318 G CA -0.196 44.806 45.100 -0.165 0.000 0.760 318 G HN 0.054 nan 8.290 nan 0.000 0.550 319 Q N 1.048 120.726 119.800 -0.203 0.000 2.119 319 Q HA -0.076 4.263 4.340 -0.002 0.000 0.201 319 Q C 1.801 177.608 176.000 -0.321 0.000 0.972 319 Q CA 1.115 56.795 55.803 -0.204 0.000 0.847 319 Q CB -0.144 28.506 28.738 -0.148 0.000 0.903 319 Q HN 0.338 nan 8.270 nan 0.000 0.433 320 D N 0.173 120.289 120.400 -0.474 0.000 2.097 320 D HA -0.124 4.515 4.640 -0.002 0.000 0.195 320 D C 1.918 177.420 176.300 -1.331 0.000 0.989 320 D CA 0.428 53.903 54.000 -0.874 0.000 0.827 320 D CB -0.191 40.044 40.800 -0.943 0.000 0.966 320 D HN 0.064 nan 8.370 nan 0.000 0.456 321 L N 0.726 121.339 121.223 -1.018 0.000 2.013 321 L HA -0.160 4.179 4.340 -0.002 0.000 0.212 321 L C 2.307 179.034 176.870 -0.238 0.000 1.073 321 L CA 1.432 55.943 54.840 -0.550 0.000 0.753 321 L CB -0.843 41.059 42.059 -0.263 0.000 0.890 321 L HN 0.105 nan 8.230 nan 0.000 0.432 322 L N -0.996 120.097 121.223 -0.217 0.000 2.017 322 L HA -0.261 4.078 4.340 -0.002 0.000 0.208 322 L C 2.598 179.426 176.870 -0.070 0.000 1.073 322 L CA 1.622 56.400 54.840 -0.103 0.000 0.745 322 L CB -0.631 41.372 42.059 -0.093 0.000 0.894 322 L HN 0.317 nan 8.230 nan 0.000 0.432 323 K N -0.269 120.049 120.400 -0.137 0.000 2.009 323 K HA -0.225 4.093 4.320 -0.002 0.000 0.210 323 K C 2.157 178.817 176.600 0.101 0.000 1.049 323 K CA 1.764 58.022 56.287 -0.049 0.000 0.929 323 K CB -0.214 32.230 32.500 -0.094 0.000 0.714 323 K HN 0.201 nan 8.250 nan 0.000 0.440 324 W N 1.279 122.591 121.300 0.020 0.000 2.318 324 W HA -0.158 4.500 4.660 -0.003 0.000 0.313 324 W C 2.297 178.843 176.519 0.044 0.000 1.221 324 W CA 1.507 58.871 57.345 0.031 0.000 1.266 324 W CB -1.484 27.987 29.460 0.019 0.000 1.150 324 W HN 0.210 nan 8.180 nan 0.000 0.496 325 T N 0.788 115.491 114.554 0.250 0.000 2.701 325 T HA -0.129 4.219 4.350 -0.002 0.000 0.263 325 T C 2.053 176.829 174.700 0.126 0.000 1.040 325 T CA 1.944 64.141 62.100 0.161 0.000 1.147 325 T CB -0.826 68.097 68.868 0.091 0.000 0.865 325 T HN -0.112 nan 8.240 nan 0.000 0.426 326 V N 2.206 122.175 119.914 0.091 0.000 2.407 326 V HA -0.167 3.952 4.120 -0.002 0.000 0.248 326 V C 2.358 178.519 176.094 0.112 0.000 1.055 326 V CA 1.686 64.029 62.300 0.073 0.000 1.049 326 V CB -0.667 31.186 31.823 0.050 0.000 0.662 326 V HN 0.387 nan 8.190 nan 0.000 0.455 327 D N 0.826 121.309 120.400 0.139 0.000 2.123 327 D HA -0.130 4.508 4.640 -0.002 0.000 0.196 327 D C 2.218 178.629 176.300 0.186 0.000 0.992 327 D CA 1.698 55.794 54.000 0.160 0.000 0.833 327 D CB -0.623 40.283 40.800 0.177 0.000 0.954 327 D HN 0.469 nan 8.370 nan 0.000 0.455 328 G N 0.487 109.421 108.800 0.224 0.000 2.402 328 G HA2 -0.181 3.777 3.960 -0.002 0.000 0.216 328 G HA3 -0.181 3.777 3.960 -0.002 0.000 0.216 328 G C 1.781 176.815 174.900 0.224 0.000 1.162 328 G CA 0.256 45.549 45.100 0.321 0.000 0.777 328 G HN 0.257 nan 8.290 nan 0.000 0.539 329 L N -0.135 121.177 121.223 0.149 0.000 2.083 329 L HA -0.046 4.293 4.340 -0.002 0.000 0.209 329 L C 2.957 179.945 176.870 0.197 0.000 1.083 329 L CA 1.173 56.026 54.840 0.022 0.000 0.752 329 L CB -0.285 41.643 42.059 -0.219 0.000 0.899 329 L HN 0.174 nan 8.230 nan 0.000 0.433 330 K N 0.069 120.581 120.400 0.186 0.000 2.026 330 K HA -0.172 4.147 4.320 -0.002 0.000 0.208 330 K C 2.271 178.990 176.600 0.198 0.000 1.048 330 K CA 1.471 57.879 56.287 0.202 0.000 0.929 330 K CB -0.303 32.295 32.500 0.163 0.000 0.713 330 K HN 0.283 nan 8.250 nan 0.000 0.439 331 A N 1.097 124.041 122.820 0.207 0.000 1.883 331 A HA -0.204 4.115 4.320 -0.002 0.000 0.217 331 A C 2.022 179.781 177.584 0.293 0.000 1.186 331 A CA 1.365 53.567 52.037 0.274 0.000 0.624 331 A CB -0.762 18.383 19.000 0.243 0.000 0.822 331 A HN 0.325 nan 8.150 nan 0.000 0.444 332 F N 0.921 120.809 119.950 -0.104 0.000 2.126 332 F HA -0.109 4.417 4.527 -0.002 0.000 0.299 332 F C 2.576 178.382 175.800 0.010 0.000 1.096 332 F CA 0.856 58.705 58.000 -0.252 0.000 1.255 332 F CB -0.709 37.720 39.000 -0.952 0.000 0.997 332 F HN 0.254 nan 8.300 nan 0.000 0.479 333 A N -0.271 122.599 122.820 0.084 0.000 1.898 333 A HA -0.203 4.115 4.320 -0.002 0.000 0.216 333 A C 2.338 179.933 177.584 0.018 0.000 1.181 333 A CA 1.716 53.747 52.037 -0.010 0.000 0.620 333 A CB -0.768 18.233 19.000 0.002 0.000 0.819 333 A HN 0.418 nan 8.150 nan 0.000 0.442 334 K N -1.845 118.588 120.400 0.055 0.000 2.026 334 K HA -0.164 4.155 4.320 -0.002 0.000 0.208 334 K C 1.722 178.231 176.600 -0.152 0.000 1.048 334 K CA 1.860 58.122 56.287 -0.041 0.000 0.929 334 K CB -0.279 32.211 32.500 -0.018 0.000 0.713 334 K HN 0.558 nan 8.250 nan 0.000 0.439 335 Y N -1.024 119.284 120.300 0.014 0.000 2.389 335 Y HA 0.161 4.710 4.550 -0.002 0.000 0.292 335 Y C 2.047 177.930 175.900 -0.029 0.000 1.117 335 Y CA 0.831 58.937 58.100 0.010 0.000 1.195 335 Y CB 0.377 38.867 38.460 0.051 0.000 1.076 335 Y HN 0.164 nan 8.280 nan 0.000 0.548 336 A N -1.861 120.992 122.820 0.055 0.000 2.167 336 A HA 0.054 4.372 4.320 -0.002 0.000 0.208 336 A C -0.138 177.395 177.584 -0.085 0.000 1.198 336 A CA -0.095 51.911 52.037 -0.052 0.000 0.863 336 A CB -0.509 18.362 19.000 -0.215 0.000 0.904 336 A HN 0.305 nan 8.150 nan 0.000 0.484 337 Y N 1.983 122.133 120.300 -0.249 0.000 2.402 337 Y HA 0.382 4.931 4.550 -0.003 0.000 0.333 337 Y C -0.059 175.634 175.900 -0.344 0.000 1.076 337 Y CA -1.179 56.674 58.100 -0.412 0.000 1.299 337 Y CB 0.357 38.543 38.460 -0.457 0.000 1.197 337 Y HN 0.236 nan 8.280 nan 0.000 0.517 338 N N 5.142 123.244 118.700 -0.998 0.000 2.546 338 N HA 0.050 4.788 4.740 -0.002 0.000 0.238 338 N C 0.337 175.203 175.510 -1.073 0.000 0.984 338 N CA -0.090 52.491 53.050 -0.782 0.000 0.935 338 N CB 0.735 38.915 38.487 -0.512 0.000 1.122 338 N HN 0.847 nan 8.380 nan 0.000 0.510 339 D N 1.954 121.903 120.400 -0.752 0.000 2.190 339 D HA -0.165 4.473 4.640 -0.002 0.000 0.200 339 D C 1.343 177.437 176.300 -0.343 0.000 0.992 339 D CA 1.487 55.207 54.000 -0.467 0.000 0.854 339 D CB 0.568 41.263 40.800 -0.175 0.000 0.936 339 D HN 0.538 nan 8.370 nan 0.000 0.462 340 Q N -0.028 119.591 119.800 -0.303 0.000 2.119 340 Q HA -0.093 4.245 4.340 -0.002 0.000 0.201 340 Q C 0.865 176.739 176.000 -0.209 0.000 0.972 340 Q CA 1.483 57.162 55.803 -0.208 0.000 0.847 340 Q CB -0.181 28.457 28.738 -0.167 0.000 0.903 340 Q HN 0.592 nan 8.270 nan 0.000 0.433 341 D N -2.146 118.088 120.400 -0.276 0.000 2.563 341 D HA 0.039 4.678 4.640 -0.002 0.000 0.237 341 D C -0.406 175.726 176.300 -0.281 0.000 1.282 341 D CA -0.531 53.331 54.000 -0.231 0.000 0.816 341 D CB -0.547 40.142 40.800 -0.184 0.000 1.066 341 D HN 0.023 nan 8.370 nan 0.000 0.501 342 N N 0.661 119.117 118.700 -0.406 0.000 2.696 342 N HA -0.191 4.548 4.740 -0.002 0.000 0.256 342 N C -1.131 174.103 175.510 -0.460 0.000 1.031 342 N CA 1.404 54.205 53.050 -0.415 0.000 0.730 342 N CB -1.357 37.027 38.487 -0.172 0.000 0.894 342 N HN 0.552 nan 8.380 nan 0.000 0.544 343 T N -2.385 111.766 114.554 -0.671 0.000 2.916 343 T HA 0.721 5.070 4.350 -0.002 0.000 0.292 343 T C -0.229 173.965 174.700 -0.842 0.000 1.055 343 T CA -0.827 60.911 62.100 -0.603 0.000 1.009 343 T CB 1.068 69.704 68.868 -0.386 0.000 1.118 343 T HN 0.075 nan 8.240 nan 0.000 0.497 344 F N 0.733 120.255 119.950 -0.714 0.000 2.422 344 F HA 0.563 5.088 4.527 -0.002 0.000 0.333 344 F C 1.159 176.558 175.800 -0.669 0.000 1.095 344 F CA -1.184 56.340 58.000 -0.794 0.000 1.038 344 F CB 1.490 39.898 39.000 -0.987 0.000 1.156 344 F HN 0.383 nan 8.300 nan 0.000 0.483 345 R N 3.687 124.101 120.500 -0.142 0.000 2.340 345 R HA 0.262 4.600 4.340 -0.002 0.000 0.300 345 R C -2.407 173.979 176.300 0.143 0.000 1.069 345 R CA -1.627 54.462 56.100 -0.018 0.000 0.984 345 R CB 0.305 30.603 30.300 -0.003 0.000 1.003 345 R HN 0.269 nan 8.270 nan 0.000 0.459 346 P HA 0.006 nan 4.420 nan 0.000 0.267 346 P C -0.722 176.630 177.300 0.086 0.000 1.205 346 P CA 0.623 63.853 63.100 0.217 0.000 0.765 346 P CB 0.824 32.629 31.700 0.175 0.000 0.828 347 M N 2.507 122.130 119.600 0.039 0.000 2.618 347 M HA 0.461 4.939 4.480 -0.002 0.000 0.281 347 M C -0.167 176.046 176.300 -0.145 0.000 1.267 347 M CA -0.987 54.298 55.300 -0.025 0.000 0.845 347 M CB 2.457 35.097 32.600 0.066 0.000 1.732 347 M HN 0.124 nan 8.290 nan 0.000 0.461 348 I N 0.623 121.074 120.570 -0.199 0.000 2.488 348 I HA 0.362 4.531 4.170 -0.002 0.000 0.299 348 I C 1.111 177.154 176.117 -0.123 0.000 0.984 348 I CA -0.454 60.706 61.300 -0.233 0.000 1.250 348 I CB 1.751 39.564 38.000 -0.312 0.000 1.389 348 I HN 0.932 nan 8.210 nan 0.000 0.488 349 A N 3.957 126.719 122.820 -0.096 0.000 2.125 349 A HA -0.172 4.147 4.320 -0.002 0.000 0.219 349 A C 1.757 179.285 177.584 -0.093 0.000 1.156 349 A CA 1.513 53.518 52.037 -0.054 0.000 0.671 349 A CB -0.862 18.145 19.000 0.012 0.000 0.794 349 A HN 0.910 nan 8.150 nan 0.000 0.459 350 N N -0.695 117.950 118.700 -0.090 0.000 2.573 350 N HA 0.129 4.868 4.740 -0.002 0.000 0.187 350 N C 1.061 176.505 175.510 -0.110 0.000 1.107 350 N CA 1.440 54.443 53.050 -0.079 0.000 0.918 350 N CB -0.572 37.891 38.487 -0.041 0.000 0.966 350 N HN 0.818 nan 8.380 nan 0.000 0.448 351 G N -0.967 107.742 108.800 -0.152 0.000 2.179 351 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.220 351 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.220 351 G C -0.255 174.654 174.900 0.015 0.000 0.990 351 G CA 0.090 45.106 45.100 -0.140 0.000 0.646 351 G HN 0.644 nan 8.290 nan 0.000 0.517 352 Q N 1.565 121.361 119.800 -0.006 0.000 2.271 352 Q HA 0.451 4.789 4.340 -0.002 0.000 0.273 352 Q C -0.036 175.973 176.000 0.014 0.000 1.051 352 Q CA -0.116 55.701 55.803 0.024 0.000 0.901 352 Q CB 0.700 29.453 28.738 0.024 0.000 1.174 352 Q HN 0.269 nan 8.270 nan 0.000 0.385 353 D N 3.719 124.151 120.400 0.053 0.000 2.351 353 D HA 0.067 4.705 4.640 -0.002 0.000 0.251 353 D C -0.150 176.177 176.300 0.045 0.000 1.137 353 D CA 0.152 54.183 54.000 0.051 0.000 0.879 353 D CB 0.722 41.558 40.800 0.060 0.000 1.181 353 D HN 0.747 nan 8.370 nan 0.000 0.448 354 L N 2.049 123.296 121.223 0.039 0.000 2.906 354 L HA 0.160 4.499 4.340 -0.002 0.000 0.255 354 L C 0.520 177.484 176.870 0.155 0.000 1.166 354 L CA -0.247 54.636 54.840 0.071 0.000 0.977 354 L CB 0.291 42.343 42.059 -0.011 0.000 1.313 354 L HN 0.182 nan 8.230 nan 0.000 0.549 355 S N 1.793 117.561 115.700 0.114 0.000 2.544 355 S HA 0.002 4.471 4.470 -0.002 0.000 0.290 355 S C 0.747 175.426 174.600 0.132 0.000 1.276 355 S CA -0.089 58.175 58.200 0.106 0.000 1.075 355 S CB 0.105 63.338 63.200 0.054 0.000 0.849 355 S HN 0.478 nan 8.310 nan 0.000 0.494 356 N N 0.212 118.988 118.700 0.126 0.000 2.708 356 N HA -0.230 4.509 4.740 -0.002 0.000 0.251 356 N C -0.630 174.983 175.510 0.172 0.000 1.123 356 N CA 0.733 53.853 53.050 0.117 0.000 0.739 356 N CB -1.678 36.856 38.487 0.078 0.000 1.113 356 N HN 0.724 nan 8.380 nan 0.000 0.561 357 Y N 1.825 122.183 120.300 0.097 0.000 2.402 357 Y HA 0.193 4.742 4.550 -0.003 0.000 0.333 357 Y C 0.486 176.450 175.900 0.107 0.000 1.076 357 Y CA -0.046 58.131 58.100 0.129 0.000 1.299 357 Y CB 0.684 39.267 38.460 0.205 0.000 1.197 357 Y HN -0.010 nan 8.280 nan 0.000 0.517 358 T N 8.100 122.369 114.554 -0.475 0.000 2.749 358 T HA 0.315 4.663 4.350 -0.002 0.000 0.295 358 T C 0.025 174.248 174.700 -0.795 0.000 0.936 358 T CA -0.558 61.271 62.100 -0.452 0.000 1.060 358 T CB 0.038 68.762 68.868 -0.240 0.000 0.904 358 T HN 0.517 nan 8.240 nan 0.000 0.500 359 L N 6.916 127.858 121.223 -0.469 0.000 2.513 359 L HA 0.155 4.493 4.340 -0.002 0.000 0.272 359 L C -1.005 175.709 176.870 -0.259 0.000 1.187 359 L CA -1.304 53.318 54.840 -0.364 0.000 0.895 359 L CB 0.472 42.425 42.059 -0.176 0.000 1.147 359 L HN 0.475 nan 8.230 nan 0.000 0.483 360 P HA 0.025 nan 4.420 nan 0.000 0.251 360 P C -0.249 177.006 177.300 -0.075 0.000 1.223 360 P CA 0.465 63.499 63.100 -0.110 0.000 0.796 360 P CB 0.456 32.131 31.700 -0.041 0.000 1.068 361 R N -1.750 118.698 120.500 -0.087 0.000 2.752 361 R HA 0.451 4.789 4.340 -0.002 0.000 0.271 361 R C -1.391 174.873 176.300 -0.059 0.000 1.026 361 R CA -0.840 55.224 56.100 -0.060 0.000 0.901 361 R CB 0.304 30.578 30.300 -0.043 0.000 1.243 361 R HN -0.326 nan 8.270 nan 0.000 0.463 362 D N -0.437 119.942 120.400 -0.034 0.000 2.362 362 D HA 0.527 5.165 4.640 -0.002 0.000 0.242 362 D C 0.281 176.583 176.300 0.004 0.000 1.132 362 D CA 0.811 54.801 54.000 -0.016 0.000 0.907 362 D CB 1.606 42.401 40.800 -0.008 0.000 1.195 362 D HN 0.753 nan 8.370 nan 0.000 0.429 363 G N -0.541 108.279 108.800 0.033 0.000 2.348 363 G HA2 -0.053 3.906 3.960 -0.002 0.000 0.296 363 G HA3 -0.053 3.906 3.960 -0.002 0.000 0.296 363 G C -0.378 174.588 174.900 0.110 0.000 1.258 363 G CA -0.622 44.531 45.100 0.087 0.000 0.868 363 G HN 0.357 nan 8.290 nan 0.000 0.488 364 Y N -0.079 120.194 120.300 -0.045 0.000 2.333 364 Y HA 0.039 4.587 4.550 -0.003 0.000 0.290 364 Y C 2.025 177.719 175.900 -0.345 0.000 1.144 364 Y CA 1.923 59.876 58.100 -0.246 0.000 1.228 364 Y CB -0.023 38.199 38.460 -0.397 0.000 0.985 364 Y HN 0.395 nan 8.280 nan 0.000 0.542 365 Y N -0.370 119.971 120.300 0.069 0.000 2.458 365 Y HA 0.457 5.006 4.550 -0.002 0.000 0.256 365 Y C 1.081 176.978 175.900 -0.006 0.000 1.159 365 Y CA 0.286 58.393 58.100 0.011 0.000 1.261 365 Y CB 0.470 39.082 38.460 0.253 0.000 1.119 365 Y HN 0.033 nan 8.280 nan 0.000 0.524 366 G N 0.207 109.054 108.800 0.077 0.000 2.350 366 G HA2 0.152 4.111 3.960 -0.002 0.000 0.304 366 G HA3 0.152 4.111 3.960 -0.002 0.000 0.304 366 G C -1.495 173.411 174.900 0.010 0.000 1.421 366 G CA -1.318 43.798 45.100 0.026 0.000 0.934 366 G HN 0.060 nan 8.290 nan 0.000 0.632 367 K N 0.219 120.614 120.400 -0.008 0.000 2.126 367 K HA 0.550 4.868 4.320 -0.002 0.000 0.257 367 K C 0.460 177.041 176.600 -0.032 0.000 1.007 367 K CA -0.689 55.588 56.287 -0.016 0.000 0.928 367 K CB 1.499 33.990 32.500 -0.016 0.000 1.013 367 K HN 0.595 nan 8.250 nan 0.000 0.473 368 K N 0.336 120.712 120.400 -0.041 0.000 2.550 368 K HA -0.089 4.229 4.320 -0.002 0.000 0.280 368 K C 0.650 177.214 176.600 -0.059 0.000 0.987 368 K CA 1.502 57.752 56.287 -0.061 0.000 1.048 368 K CB -0.299 32.171 32.500 -0.051 0.000 0.879 368 K HN 0.928 nan 8.250 nan 0.000 0.491 369 G N 2.410 111.160 108.800 -0.083 0.000 2.195 369 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.246 369 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.246 369 G C 0.170 175.032 174.900 -0.062 0.000 0.984 369 G CA 0.327 45.383 45.100 -0.072 0.000 0.633 369 G HN 0.686 nan 8.290 nan 0.000 0.525 370 T N 1.209 115.729 114.554 -0.056 0.000 2.902 370 T HA 0.417 4.765 4.350 -0.002 0.000 0.301 370 T C 0.477 175.152 174.700 -0.042 0.000 1.012 370 T CA 0.351 62.432 62.100 -0.032 0.000 1.151 370 T CB 1.955 70.818 68.868 -0.009 0.000 0.946 370 T HN 0.489 nan 8.240 nan 0.000 0.542 371 V N 5.720 125.626 119.914 -0.014 0.000 2.370 371 V HA 0.308 4.427 4.120 -0.002 0.000 0.283 371 V C 0.255 176.380 176.094 0.052 0.000 1.023 371 V CA -0.787 61.514 62.300 0.003 0.000 0.857 371 V CB 1.148 32.974 31.823 0.006 0.000 0.985 371 V HN 0.701 nan 8.190 nan 0.000 0.443 372 L N 6.293 127.576 121.223 0.099 0.000 2.315 372 L HA 0.432 4.770 4.340 -0.002 0.000 0.283 372 L C 0.381 177.330 176.870 0.131 0.000 1.089 372 L CA 0.032 54.951 54.840 0.132 0.000 0.833 372 L CB 0.135 42.305 42.059 0.185 0.000 1.170 372 L HN 0.538 nan 8.230 nan 0.000 0.442 373 K N 3.936 124.411 120.400 0.125 0.000 2.208 373 K HA 0.522 4.840 4.320 -0.002 0.000 0.247 373 K C -2.462 174.236 176.600 0.165 0.000 0.953 373 K CA -2.025 54.332 56.287 0.116 0.000 0.837 373 K CB 1.744 34.294 32.500 0.084 0.000 1.131 373 K HN 0.174 nan 8.250 nan 0.000 0.431 374 P HA -0.094 nan 4.420 nan 0.000 0.265 374 P C -1.289 176.073 177.300 0.103 0.000 1.187 374 P CA 0.481 63.604 63.100 0.038 0.000 0.766 374 P CB 0.049 31.709 31.700 -0.066 0.000 0.820 375 Y N -0.330 119.995 120.300 0.041 0.000 2.462 375 Y HA 0.581 5.130 4.550 -0.002 0.000 0.346 375 Y C -0.129 175.798 175.900 0.044 0.000 0.976 375 Y CA -1.739 56.397 58.100 0.059 0.000 1.044 375 Y CB 1.149 39.673 38.460 0.107 0.000 1.230 375 Y HN -0.002 nan 8.280 nan 0.000 0.455 376 K N 2.271 122.744 120.400 0.122 0.000 2.401 376 K HA 0.326 4.645 4.320 -0.002 0.000 0.278 376 K C -0.155 176.505 176.600 0.100 0.000 1.018 376 K CA 0.188 56.486 56.287 0.018 0.000 0.981 376 K CB 1.000 33.529 32.500 0.047 0.000 0.933 376 K HN 0.939 nan 8.250 nan 0.000 0.477 377 A N 3.244 126.019 122.820 -0.076 0.000 2.444 377 A HA 0.341 4.659 4.320 -0.002 0.000 0.287 377 A C 0.819 178.554 177.584 0.253 0.000 1.195 377 A CA 0.071 52.127 52.037 0.032 0.000 0.858 377 A CB -0.297 18.459 19.000 -0.407 0.000 1.117 377 A HN 0.682 nan 8.150 nan 0.000 0.521 378 G N 1.553 110.651 108.800 0.498 0.000 2.651 378 G HA2 0.197 4.156 3.960 -0.002 0.000 0.260 378 G HA3 0.197 4.156 3.960 -0.002 0.000 0.260 378 G C 0.588 175.634 174.900 0.244 0.000 1.216 378 G CA -0.351 44.936 45.100 0.312 0.000 0.913 378 G HN 0.808 nan 8.290 nan 0.000 0.535 379 N N -0.056 118.711 118.700 0.111 0.000 2.453 379 N HA -0.097 4.641 4.740 -0.002 0.000 0.183 379 N C 2.113 177.623 175.510 0.001 0.000 1.041 379 N CA 0.877 53.987 53.050 0.099 0.000 0.900 379 N CB 0.166 38.753 38.487 0.166 0.000 0.961 379 N HN 0.736 nan 8.380 nan 0.000 0.443 380 E N 0.797 120.798 120.200 -0.332 0.000 2.204 380 E HA -0.188 4.160 4.350 -0.002 0.000 0.194 380 E C 0.907 177.346 176.600 -0.270 0.000 0.989 380 E CA 1.079 57.138 56.400 -0.567 0.000 0.824 380 E CB -0.384 28.704 29.700 -1.021 0.000 0.756 380 E HN 0.410 nan 8.360 nan 0.000 0.477 381 F N 0.778 120.773 119.950 0.076 0.000 2.367 381 F HA 0.031 4.557 4.527 -0.002 0.000 0.298 381 F C 2.193 178.143 175.800 0.249 0.000 1.094 381 F CA 0.353 58.500 58.000 0.245 0.000 1.409 381 F CB -0.349 38.896 39.000 0.409 0.000 1.064 381 F HN 0.048 nan 8.300 nan 0.000 0.528 382 L N 0.712 122.104 121.223 0.281 0.000 2.042 382 L HA -0.205 4.133 4.340 -0.002 0.000 0.210 382 L C 2.073 179.032 176.870 0.148 0.000 1.076 382 L CA 1.761 56.691 54.840 0.151 0.000 0.749 382 L CB -0.852 41.251 42.059 0.072 0.000 0.893 382 L HN 0.135 nan 8.230 nan 0.000 0.432 383 I N -0.839 119.817 120.570 0.144 0.000 2.142 383 I HA -0.311 3.857 4.170 -0.002 0.000 0.240 383 I C 2.428 178.605 176.117 0.099 0.000 1.078 383 I CA 1.549 62.923 61.300 0.124 0.000 1.343 383 I CB -0.722 37.357 38.000 0.132 0.000 1.046 383 I HN 0.370 nan 8.210 nan 0.000 0.405 384 S N -0.014 115.740 115.700 0.091 0.000 2.402 384 S HA -0.163 4.305 4.470 -0.002 0.000 0.229 384 S C 1.965 176.530 174.600 -0.059 0.000 1.021 384 S CA 0.925 59.129 58.200 0.006 0.000 0.974 384 S CB -0.789 62.393 63.200 -0.030 0.000 0.800 384 S HN 0.389 nan 8.310 nan 0.000 0.484 385 Y N 2.131 122.506 120.300 0.124 0.000 2.263 385 Y HA 0.195 4.743 4.550 -0.002 0.000 0.292 385 Y C 2.899 178.861 175.900 0.104 0.000 1.130 385 Y CA 0.486 58.645 58.100 0.097 0.000 1.179 385 Y CB -0.755 37.719 38.460 0.023 0.000 0.998 385 Y HN 0.342 nan 8.280 nan 0.000 0.532 386 A N 0.390 123.318 122.820 0.180 0.000 1.902 386 A HA -0.193 4.125 4.320 -0.002 0.000 0.217 386 A C 2.232 179.937 177.584 0.203 0.000 1.181 386 A CA 1.659 53.786 52.037 0.150 0.000 0.623 386 A CB -0.465 18.579 19.000 0.074 0.000 0.818 386 A HN 0.383 nan 8.150 nan 0.000 0.443 387 R N -0.800 119.784 120.500 0.140 0.000 2.090 387 R HA 0.034 4.373 4.340 -0.002 0.000 0.228 387 R C 2.449 178.812 176.300 0.104 0.000 1.110 387 R CA 0.990 57.157 56.100 0.112 0.000 0.973 387 R CB -0.354 29.980 30.300 0.057 0.000 0.869 387 R HN 0.509 nan 8.270 nan 0.000 0.440 388 A N 0.349 123.221 122.820 0.087 0.000 1.898 388 A HA -0.197 4.122 4.320 -0.002 0.000 0.216 388 A C 1.929 179.597 177.584 0.141 0.000 1.181 388 A CA 0.944 53.023 52.037 0.069 0.000 0.620 388 A CB -0.635 18.358 19.000 -0.012 0.000 0.819 388 A HN 0.400 nan 8.150 nan 0.000 0.442 389 Y N 0.704 121.077 120.300 0.122 0.000 2.181 389 Y HA -0.117 4.432 4.550 -0.003 0.000 0.288 389 Y C 2.629 178.608 175.900 0.131 0.000 1.146 389 Y CA 1.261 59.462 58.100 0.168 0.000 1.164 389 Y CB -0.397 38.234 38.460 0.284 0.000 0.982 389 Y HN 0.318 nan 8.280 nan 0.000 0.515 390 A N 0.552 123.520 122.820 0.246 0.000 1.986 390 A HA -0.213 4.106 4.320 -0.002 0.000 0.220 390 A C 2.173 179.774 177.584 0.028 0.000 1.171 390 A CA 2.111 54.237 52.037 0.148 0.000 0.640 390 A CB -1.352 17.759 19.000 0.185 0.000 0.811 390 A HN 0.762 nan 8.150 nan 0.000 0.451 391 I N -4.763 115.813 120.570 0.010 0.000 3.462 391 I HA 0.246 4.415 4.170 -0.002 0.000 0.290 391 I C 0.067 176.144 176.117 -0.067 0.000 1.236 391 I CA 0.646 61.934 61.300 -0.020 0.000 1.418 391 I CB 0.423 38.421 38.000 -0.003 0.000 1.102 391 I HN 0.071 nan 8.210 nan 0.000 0.441 392 D N 1.758 122.096 120.400 -0.103 0.000 2.330 392 D HA 0.177 4.815 4.640 -0.002 0.000 0.249 392 D C -0.863 175.251 176.300 -0.310 0.000 1.306 392 D CA -0.508 53.410 54.000 -0.137 0.000 0.956 392 D CB 0.382 41.153 40.800 -0.048 0.000 1.261 392 D HN 0.049 nan 8.370 nan 0.000 0.544 393 N N 2.845 121.248 118.700 -0.495 0.000 3.059 393 N HA -0.014 4.725 4.740 -0.002 0.000 0.321 393 N C -0.437 174.832 175.510 -0.400 0.000 1.224 393 N CA 0.185 52.650 53.050 -0.975 0.000 1.197 393 N CB 0.073 38.169 38.487 -0.651 0.000 1.453 393 N HN 0.438 nan 8.380 nan 0.000 0.544 394 D N 0.567 120.890 120.400 -0.129 0.000 2.277 394 D HA 0.171 4.809 4.640 -0.002 0.000 0.249 394 D C -1.483 175.041 176.300 0.373 0.000 1.134 394 D CA -2.207 51.869 54.000 0.126 0.000 0.863 394 D CB 1.699 42.577 40.800 0.131 0.000 1.143 394 D HN 0.036 nan 8.370 nan 0.000 0.458 395 P HA -0.158 nan 4.420 nan 0.000 0.217 395 P C 1.528 178.992 177.300 0.273 0.000 1.148 395 P CA 0.485 63.766 63.100 0.302 0.000 0.828 395 P CB 0.228 32.028 31.700 0.166 0.000 0.783 396 L N -1.028 120.319 121.223 0.208 0.000 2.046 396 L HA -0.139 4.200 4.340 -0.002 0.000 0.208 396 L C 2.104 179.075 176.870 0.168 0.000 1.077 396 L CA 1.801 56.731 54.840 0.150 0.000 0.747 396 L CB -1.217 40.915 42.059 0.123 0.000 0.896 396 L HN -0.114 nan 8.230 nan 0.000 0.432 397 L N -2.001 119.402 121.223 0.301 0.000 2.109 397 L HA -0.214 4.124 4.340 -0.002 0.000 0.207 397 L C 2.468 179.510 176.870 0.287 0.000 1.086 397 L CA 1.292 56.372 54.840 0.399 0.000 0.760 397 L CB -0.845 41.517 42.059 0.506 0.000 0.910 397 L HN 0.552 nan 8.230 nan 0.000 0.437 398 W N 1.837 123.188 121.300 0.085 0.000 2.388 398 W HA -0.195 4.464 4.660 -0.002 0.000 0.294 398 W C 2.400 178.824 176.519 -0.158 0.000 1.212 398 W CA 1.422 58.639 57.345 -0.215 0.000 1.271 398 W CB 0.017 29.254 29.460 -0.371 0.000 1.126 398 W HN 0.154 nan 8.180 nan 0.000 0.535 399 K N 0.427 120.828 120.400 0.003 0.000 2.032 399 K HA -0.211 4.107 4.320 -0.002 0.000 0.209 399 K C 1.801 178.224 176.600 -0.295 0.000 1.048 399 K CA 2.075 58.308 56.287 -0.090 0.000 0.927 399 K CB -0.448 32.051 32.500 -0.001 0.000 0.712 399 K HN 0.020 nan 8.250 nan 0.000 0.441 400 V N 1.099 120.714 119.914 -0.497 0.000 2.307 400 V HA -0.239 3.879 4.120 -0.002 0.000 0.245 400 V C 2.462 178.134 176.094 -0.703 0.000 1.045 400 V CA 1.947 63.652 62.300 -0.991 0.000 1.024 400 V CB -0.740 30.187 31.823 -1.494 0.000 0.651 400 V HN 0.465 nan 8.190 nan 0.000 0.449 401 A N 0.132 122.634 122.820 -0.530 0.000 1.883 401 A HA -0.293 4.026 4.320 -0.002 0.000 0.217 401 A C 2.416 179.681 177.584 -0.531 0.000 1.186 401 A CA 2.286 54.045 52.037 -0.464 0.000 0.624 401 A CB -0.635 18.052 19.000 -0.522 0.000 0.822 401 A HN 0.494 nan 8.150 nan 0.000 0.444 402 R N -0.657 119.434 120.500 -0.682 0.000 2.083 402 R HA -0.129 4.209 4.340 -0.002 0.000 0.237 402 R C 2.278 178.419 176.300 -0.265 0.000 1.137 402 R CA 1.764 57.557 56.100 -0.511 0.000 0.951 402 R CB -0.762 29.258 30.300 -0.466 0.000 0.851 402 R HN 0.462 nan 8.270 nan 0.000 0.434 403 G N 0.965 109.639 108.800 -0.209 0.000 2.418 403 G HA2 -0.228 3.730 3.960 -0.002 0.000 0.217 403 G HA3 -0.228 3.730 3.960 -0.002 0.000 0.217 403 G C 1.483 176.337 174.900 -0.077 0.000 1.158 403 G CA 0.976 46.032 45.100 -0.072 0.000 0.771 403 G HN 0.294 nan 8.290 nan 0.000 0.545 404 I N 1.455 121.942 120.570 -0.139 0.000 2.142 404 I HA -0.175 3.994 4.170 -0.002 0.000 0.240 404 I C 3.326 179.395 176.117 -0.079 0.000 1.078 404 I CA 1.102 62.343 61.300 -0.098 0.000 1.343 404 I CB -0.318 37.623 38.000 -0.099 0.000 1.046 404 I HN 0.232 nan 8.210 nan 0.000 0.405 405 A N 0.807 123.556 122.820 -0.119 0.000 1.883 405 A HA -0.292 4.027 4.320 -0.002 0.000 0.217 405 A C 2.216 179.763 177.584 -0.061 0.000 1.186 405 A CA 2.251 54.232 52.037 -0.093 0.000 0.624 405 A CB -1.012 17.902 19.000 -0.142 0.000 0.822 405 A HN 0.524 nan 8.150 nan 0.000 0.444 406 N N -0.017 118.640 118.700 -0.072 0.000 2.036 406 N HA -0.233 4.506 4.740 -0.002 0.000 0.195 406 N C 1.479 176.966 175.510 -0.038 0.000 1.037 406 N CA 2.126 55.147 53.050 -0.048 0.000 0.855 406 N CB -0.409 38.047 38.487 -0.052 0.000 1.033 406 N HN 0.503 nan 8.380 nan 0.000 0.423 407 D N 0.003 120.376 120.400 -0.045 0.000 2.263 407 D HA -0.084 4.555 4.640 -0.002 0.000 0.208 407 D C 1.082 177.370 176.300 -0.020 0.000 0.971 407 D CA 0.856 54.833 54.000 -0.038 0.000 0.867 407 D CB 0.091 40.861 40.800 -0.050 0.000 0.929 407 D HN 0.234 nan 8.370 nan 0.000 0.492 408 Q N -0.818 118.974 119.800 -0.014 0.000 2.246 408 Q HA 0.228 4.567 4.340 -0.002 0.000 0.202 408 Q C 1.139 177.141 176.000 0.003 0.000 0.883 408 Q CA 0.525 56.330 55.803 0.003 0.000 0.952 408 Q CB 0.845 29.591 28.738 0.013 0.000 1.078 408 Q HN 0.355 nan 8.270 nan 0.000 0.493 409 G N 1.040 109.838 108.800 -0.003 0.000 2.143 409 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.248 409 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.248 409 G C 0.642 175.545 174.900 0.004 0.000 0.991 409 G CA 0.375 45.475 45.100 0.000 0.000 0.689 409 G HN 0.424 nan 8.290 nan 0.000 0.522 410 L N -0.147 121.077 121.223 0.001 0.000 2.554 410 L HA 0.443 4.782 4.340 -0.002 0.000 0.225 410 L C 1.868 178.749 176.870 0.018 0.000 1.104 410 L CA 0.623 55.468 54.840 0.009 0.000 0.866 410 L CB -0.351 41.708 42.059 0.000 0.000 1.047 410 L HN 1.098 nan 8.230 nan 0.000 0.468 411 G N 0.634 109.439 108.800 0.010 0.000 2.568 411 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.222 411 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.222 411 G C -0.862 174.049 174.900 0.019 0.000 1.321 411 G CA -0.391 44.720 45.100 0.018 0.000 0.893 411 G HN 0.151 nan 8.290 nan 0.000 0.569 412 D N 1.063 121.488 120.400 0.041 0.000 2.359 412 D HA 0.462 5.101 4.640 -0.002 0.000 0.230 412 D C 1.925 178.297 176.300 0.120 0.000 1.118 412 D CA -0.105 53.929 54.000 0.056 0.000 0.844 412 D CB 0.572 41.408 40.800 0.061 0.000 1.059 412 D HN 0.726 nan 8.370 nan 0.000 0.493 413 I N 1.089 121.726 120.570 0.113 0.000 3.176 413 I HA 0.294 4.463 4.170 -0.002 0.000 0.275 413 I C 0.973 177.383 176.117 0.488 0.000 1.298 413 I CA 0.052 61.516 61.300 0.274 0.000 1.445 413 I CB -0.326 37.648 38.000 -0.042 0.000 1.075 413 I HN 0.415 nan 8.210 nan 0.000 0.482 414 G N 1.156 110.177 108.800 0.369 0.000 2.440 414 G HA2 -0.144 3.814 3.960 -0.002 0.000 0.684 414 G HA3 -0.144 3.814 3.960 -0.002 0.000 0.684 414 G C 0.271 175.457 174.900 0.477 0.000 1.309 414 G CA -0.141 45.183 45.100 0.373 0.000 0.931 414 G HN 0.303 nan 8.290 nan 0.000 0.612 415 T N -1.969 112.742 114.554 0.261 0.000 3.055 415 T HA 0.594 4.942 4.350 -0.002 0.000 0.265 415 T C 1.045 175.736 174.700 -0.016 0.000 1.111 415 T CA 1.969 64.190 62.100 0.202 0.000 1.118 415 T CB 0.123 69.039 68.868 0.080 0.000 0.909 415 T HN 2.380 nan 8.240 nan 0.000 0.501 416 A N 1.181 123.823 122.820 -0.297 0.000 2.586 416 A HA 0.650 4.969 4.320 -0.002 0.000 0.291 416 A C -3.165 173.904 177.584 -0.858 0.000 1.062 416 A CA -1.805 49.597 52.037 -1.058 0.000 0.666 416 A CB 0.598 19.288 19.000 -0.517 0.000 1.281 416 A HN 0.028 nan 8.150 nan 0.000 0.421 417 P HA 0.251 nan 4.420 nan 0.000 0.260 417 P C 1.059 178.319 177.300 -0.066 0.000 1.185 417 P CA 2.137 65.034 63.100 -0.338 0.000 0.763 417 P CB 0.391 31.986 31.700 -0.176 0.000 0.776 418 G N 2.614 111.456 108.800 0.071 0.000 2.225 418 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.254 418 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.254 418 G C 0.013 174.902 174.900 -0.019 0.000 0.988 418 G CA -0.190 44.899 45.100 -0.019 0.000 0.625 418 G HN 0.532 nan 8.290 nan 0.000 0.527 419 K N 1.283 121.675 120.400 -0.014 0.000 2.253 419 K HA 0.484 4.802 4.320 -0.002 0.000 0.277 419 K C 0.597 177.219 176.600 0.036 0.000 1.053 419 K CA -0.312 55.969 56.287 -0.010 0.000 0.892 419 K CB 1.013 33.486 32.500 -0.045 0.000 1.102 419 K HN 0.556 nan 8.250 nan 0.000 0.469 420 E N 0.061 120.279 120.200 0.030 0.000 2.389 420 E HA -0.168 4.180 4.350 -0.002 0.000 0.243 420 E C -0.588 176.057 176.600 0.075 0.000 1.154 420 E CA 0.158 56.585 56.400 0.045 0.000 0.723 420 E CB -1.359 28.369 29.700 0.046 0.000 1.261 420 E HN 0.273 nan 8.360 nan 0.000 0.390 421 V N 0.930 120.887 119.914 0.072 0.000 2.470 421 V HA 0.080 4.198 4.120 -0.002 0.000 0.276 421 V C 0.743 176.878 176.094 0.068 0.000 1.040 421 V CA 0.588 62.949 62.300 0.102 0.000 1.008 421 V CB 1.030 32.888 31.823 0.058 0.000 0.990 421 V HN 0.191 nan 8.190 nan 0.000 0.477 422 K N 4.106 124.556 120.400 0.083 0.000 2.842 422 K HA 0.381 4.700 4.320 -0.002 0.000 0.176 422 K C -0.444 176.195 176.600 0.065 0.000 1.080 422 K CA -0.413 55.908 56.287 0.057 0.000 0.954 422 K CB 1.523 34.048 32.500 0.042 0.000 1.203 422 K HN 0.636 nan 8.250 nan 0.000 0.611 423 V N -1.198 118.764 119.914 0.079 0.000 3.185 423 V HA 0.278 4.396 4.120 -0.002 0.000 0.305 423 V C 0.203 176.327 176.094 0.050 0.000 1.090 423 V CA -0.654 61.696 62.300 0.083 0.000 1.107 423 V CB 0.986 32.885 31.823 0.127 0.000 1.061 423 V HN 0.483 nan 8.190 nan 0.000 0.480 424 N N 3.318 122.042 118.700 0.041 0.000 2.645 424 N HA 0.289 5.028 4.740 -0.002 0.000 0.233 424 N C 0.506 176.030 175.510 0.023 0.000 1.058 424 N CA -0.497 52.569 53.050 0.026 0.000 0.942 424 N CB 0.783 39.281 38.487 0.018 0.000 1.210 424 N HN 0.735 nan 8.380 nan 0.000 0.512 425 M N 0.456 120.068 119.600 0.020 0.000 2.557 425 M HA 0.002 4.481 4.480 -0.002 0.000 0.259 425 M C -0.089 176.216 176.300 0.008 0.000 1.086 425 M CA 0.796 56.105 55.300 0.014 0.000 1.096 425 M CB -0.114 32.493 32.600 0.011 0.000 1.424 425 M HN 0.440 nan 8.290 nan 0.000 0.488 426 D N 0.238 120.643 120.400 0.008 0.000 2.491 426 D HA 0.053 4.692 4.640 -0.002 0.000 0.228 426 D C 0.487 176.791 176.300 0.006 0.000 1.183 426 D CA 0.102 54.106 54.000 0.005 0.000 0.827 426 D CB 0.480 41.283 40.800 0.005 0.000 0.989 426 D HN 0.149 nan 8.370 nan 0.000 0.494 427 T N 0.554 115.113 114.554 0.007 0.000 2.937 427 T HA 0.022 4.370 4.350 -0.002 0.000 0.316 427 T C 1.633 176.336 174.700 0.005 0.000 1.079 427 T CA 0.369 62.472 62.100 0.007 0.000 1.131 427 T CB 0.955 69.828 68.868 0.008 0.000 1.000 427 T HN 0.163 nan 8.240 nan 0.000 0.549 428 T N 1.533 116.091 114.554 0.006 0.000 3.086 428 T HA 0.159 4.507 4.350 -0.002 0.000 0.250 428 T C 0.863 175.567 174.700 0.007 0.000 1.074 428 T CA -0.464 61.640 62.100 0.007 0.000 0.988 428 T CB -0.156 68.717 68.868 0.008 0.000 0.988 428 T HN 0.588 nan 8.240 nan 0.000 0.530 429 N N 3.065 121.769 118.700 0.007 0.000 2.359 429 N HA -0.046 4.693 4.740 -0.002 0.000 0.261 429 N C 0.392 175.901 175.510 -0.001 0.000 1.267 429 N CA 0.698 53.753 53.050 0.008 0.000 0.864 429 N CB 0.628 39.121 38.487 0.010 0.000 1.063 429 N HN 0.535 nan 8.380 nan 0.000 0.474 430 S N 1.067 116.768 115.700 0.001 0.000 2.843 430 S HA 0.066 4.534 4.470 -0.002 0.000 0.249 430 S C -0.329 174.252 174.600 -0.032 0.000 1.047 430 S CA -0.845 57.346 58.200 -0.015 0.000 1.042 430 S CB 0.235 63.437 63.200 0.004 0.000 0.936 430 S HN 0.485 nan 8.310 nan 0.000 0.531 431 D N 3.407 123.796 120.400 -0.018 0.000 2.339 431 D HA 0.302 4.941 4.640 -0.002 0.000 0.241 431 D C -1.356 174.898 176.300 -0.077 0.000 1.183 431 D CA -2.086 51.910 54.000 -0.007 0.000 0.859 431 D CB 1.785 42.632 40.800 0.079 0.000 1.067 431 D HN 0.062 nan 8.370 nan 0.000 0.484 432 P HA -0.206 nan 4.420 nan 0.000 0.216 432 P C 1.057 178.216 177.300 -0.235 0.000 1.150 432 P CA 1.176 64.059 63.100 -0.362 0.000 0.843 432 P CB 0.048 31.456 31.700 -0.487 0.000 0.787 433 Y N 0.629 120.944 120.300 0.024 0.000 2.151 433 Y HA -0.153 4.395 4.550 -0.003 0.000 0.284 433 Y C 2.814 178.770 175.900 0.093 0.000 1.166 433 Y CA 1.306 59.483 58.100 0.129 0.000 1.163 433 Y CB -1.741 36.781 38.460 0.103 0.000 0.974 433 Y HN -0.031 nan 8.280 nan 0.000 0.511 434 A N -0.291 122.636 122.820 0.178 0.000 1.930 434 A HA -0.121 4.197 4.320 -0.002 0.000 0.217 434 A C 2.325 179.928 177.584 0.032 0.000 1.175 434 A CA 1.268 53.361 52.037 0.092 0.000 0.627 434 A CB -1.025 18.007 19.000 0.053 0.000 0.815 434 A HN 0.500 nan 8.150 nan 0.000 0.443 435 L N -1.619 119.570 121.223 -0.057 0.000 1.970 435 L HA -0.184 4.154 4.340 -0.002 0.000 0.212 435 L C 2.439 179.245 176.870 -0.105 0.000 1.071 435 L CA 1.907 56.659 54.840 -0.147 0.000 0.751 435 L CB -0.426 41.443 42.059 -0.317 0.000 0.889 435 L HN 0.384 nan 8.230 nan 0.000 0.432 436 F N 0.272 120.151 119.950 -0.118 0.000 2.063 436 F HA -0.358 4.168 4.527 -0.003 0.000 0.298 436 F C 2.636 178.441 175.800 0.008 0.000 1.105 436 F CA 1.735 59.679 58.000 -0.093 0.000 1.215 436 F CB -1.226 37.680 39.000 -0.156 0.000 0.972 436 F HN 0.201 nan 8.300 nan 0.000 0.483 437 A N -0.373 122.586 122.820 0.232 0.000 1.933 437 A HA -0.114 4.204 4.320 -0.002 0.000 0.218 437 A C 2.290 179.924 177.584 0.083 0.000 1.175 437 A CA 1.380 53.503 52.037 0.144 0.000 0.628 437 A CB -1.034 18.031 19.000 0.109 0.000 0.814 437 A HN 0.413 nan 8.150 nan 0.000 0.444 438 L N -0.693 120.568 121.223 0.063 0.000 2.093 438 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 438 L C 2.494 179.457 176.870 0.155 0.000 1.085 438 L CA 0.893 55.769 54.840 0.059 0.000 0.755 438 L CB -0.428 41.665 42.059 0.058 0.000 0.904 438 L HN 0.380 nan 8.230 nan 0.000 0.435 439 L N -0.606 120.707 121.223 0.149 0.000 2.083 439 L HA -0.242 4.097 4.340 -0.002 0.000 0.209 439 L C 2.232 179.273 176.870 0.285 0.000 1.083 439 L CA 1.058 56.026 54.840 0.213 0.000 0.752 439 L CB -0.639 41.507 42.059 0.144 0.000 0.899 439 L HN 0.312 nan 8.230 nan 0.000 0.433 440 D N 0.198 120.732 120.400 0.224 0.000 2.097 440 D HA -0.160 4.479 4.640 -0.002 0.000 0.195 440 D C 2.409 178.849 176.300 0.233 0.000 0.989 440 D CA 1.179 55.309 54.000 0.218 0.000 0.827 440 D CB -0.232 40.667 40.800 0.165 0.000 0.966 440 D HN 0.259 nan 8.370 nan 0.000 0.456 441 L N -0.025 121.293 121.223 0.158 0.000 2.012 441 L HA -0.239 4.099 4.340 -0.002 0.000 0.210 441 L C 2.570 179.615 176.870 0.291 0.000 1.073 441 L CA 1.256 56.159 54.840 0.104 0.000 0.748 441 L CB -0.590 41.301 42.059 -0.280 0.000 0.891 441 L HN 0.083 nan 8.230 nan 0.000 0.431 442 Y N -0.136 120.333 120.300 0.282 0.000 2.128 442 Y HA -0.347 4.202 4.550 -0.003 0.000 0.284 442 Y C 2.920 178.964 175.900 0.239 0.000 1.154 442 Y CA 2.077 60.370 58.100 0.321 0.000 1.149 442 Y CB -0.518 38.091 38.460 0.248 0.000 0.976 442 Y HN 0.199 nan 8.280 nan 0.000 0.505 443 H N -0.051 119.087 119.070 0.113 0.000 2.352 443 H HA -0.170 4.385 4.556 -0.002 0.000 0.299 443 H C 2.056 177.350 175.328 -0.057 0.000 1.097 443 H CA 1.616 57.670 56.048 0.010 0.000 1.311 443 H CB -0.176 29.667 29.762 0.135 0.000 1.377 443 H HN 0.509 nan 8.280 nan 0.000 0.504 444 A N 0.023 122.862 122.820 0.031 0.000 1.968 444 A HA -0.087 4.231 4.320 -0.002 0.000 0.217 444 A C 2.561 180.115 177.584 -0.050 0.000 1.169 444 A CA 1.635 53.679 52.037 0.012 0.000 0.638 444 A CB -0.309 18.794 19.000 0.171 0.000 0.812 444 A HN 0.616 nan 8.150 nan 0.000 0.446 445 S N -3.444 112.233 115.700 -0.039 0.000 2.524 445 S HA 0.113 4.582 4.470 -0.002 0.000 0.222 445 S C 0.701 175.220 174.600 -0.136 0.000 1.040 445 S CA 0.598 58.791 58.200 -0.011 0.000 0.915 445 S CB 0.180 63.483 63.200 0.172 0.000 0.831 445 S HN 0.389 nan 8.310 nan 0.000 0.492 446 Q N 0.220 119.800 119.800 -0.367 0.000 2.481 446 Q HA -0.122 4.217 4.340 -0.002 0.000 0.258 446 Q C -0.531 175.354 176.000 -0.192 0.000 0.961 446 Q CA 0.698 56.173 55.803 -0.547 0.000 1.121 446 Q CB -2.632 25.911 28.738 -0.325 0.000 1.503 446 Q HN 0.587 nan 8.270 nan 0.000 0.544 447 V N 1.004 120.872 119.914 -0.076 0.000 2.415 447 V HA 0.211 4.330 4.120 -0.002 0.000 0.267 447 V C 1.873 178.000 176.094 0.055 0.000 1.042 447 V CA 0.838 63.079 62.300 -0.099 0.000 1.000 447 V CB 0.934 32.524 31.823 -0.389 0.000 1.015 447 V HN 0.472 nan 8.190 nan 0.000 0.478 448 A N 3.781 126.656 122.820 0.092 0.000 1.948 448 A HA -0.207 4.112 4.320 -0.002 0.000 0.220 448 A C 1.903 179.510 177.584 0.038 0.000 1.177 448 A CA 1.965 54.082 52.037 0.134 0.000 0.636 448 A CB -0.405 18.631 19.000 0.061 0.000 0.815 448 A HN 0.792 nan 8.150 nan 0.000 0.449 449 D N -1.380 118.977 120.400 -0.072 0.000 2.182 449 D HA -0.158 4.480 4.640 -0.002 0.000 0.201 449 D C 1.618 177.947 176.300 0.049 0.000 0.986 449 D CA 1.280 55.239 54.000 -0.068 0.000 0.847 449 D CB -0.333 40.380 40.800 -0.144 0.000 0.942 449 D HN 0.597 nan 8.370 nan 0.000 0.467 450 Y N 0.450 120.835 120.300 0.143 0.000 2.242 450 Y HA -0.035 4.514 4.550 -0.002 0.000 0.291 450 Y C 2.535 178.486 175.900 0.084 0.000 1.137 450 Y CA 0.615 58.801 58.100 0.144 0.000 1.181 450 Y CB -0.613 37.982 38.460 0.226 0.000 0.989 450 Y HN -0.069 nan 8.280 nan 0.000 0.527 451 R N 0.449 121.051 120.500 0.169 0.000 2.119 451 R HA -0.060 4.278 4.340 -0.002 0.000 0.222 451 R C 2.074 178.334 176.300 -0.067 0.000 1.088 451 R CA 0.856 56.905 56.100 -0.085 0.000 0.984 451 R CB 0.032 29.996 30.300 -0.561 0.000 0.884 451 R HN 0.203 nan 8.270 nan 0.000 0.447 452 K N 0.198 120.581 120.400 -0.030 0.000 2.097 452 K HA -0.151 4.168 4.320 -0.002 0.000 0.206 452 K C 1.936 178.536 176.600 -0.000 0.000 1.049 452 K CA 1.040 57.313 56.287 -0.023 0.000 0.933 452 K CB -0.144 32.347 32.500 -0.014 0.000 0.717 452 K HN 0.075 nan 8.250 nan 0.000 0.442 453 L N 1.104 122.350 121.223 0.040 0.000 2.046 453 L HA -0.156 4.182 4.340 -0.002 0.000 0.208 453 L C 2.178 179.057 176.870 0.015 0.000 1.077 453 L CA 1.775 56.642 54.840 0.045 0.000 0.747 453 L CB -0.650 41.467 42.059 0.096 0.000 0.896 453 L HN 0.125 nan 8.230 nan 0.000 0.432 454 A N -1.039 121.787 122.820 0.011 0.000 1.933 454 A HA -0.237 4.081 4.320 -0.002 0.000 0.218 454 A C 2.165 179.708 177.584 -0.068 0.000 1.175 454 A CA 1.845 53.861 52.037 -0.035 0.000 0.628 454 A CB -0.572 18.406 19.000 -0.037 0.000 0.814 454 A HN 0.611 nan 8.150 nan 0.000 0.444 455 E N -0.638 119.525 120.200 -0.062 0.000 2.072 455 E HA -0.211 4.137 4.350 -0.002 0.000 0.191 455 E C 2.086 178.654 176.600 -0.053 0.000 0.985 455 E CA 1.333 57.693 56.400 -0.067 0.000 0.801 455 E CB -0.097 29.566 29.700 -0.062 0.000 0.750 455 E HN 0.473 nan 8.360 nan 0.000 0.452 456 K N 1.503 121.882 120.400 -0.036 0.000 2.032 456 K HA -0.142 4.177 4.320 -0.002 0.000 0.209 456 K C 1.775 178.355 176.600 -0.032 0.000 1.048 456 K CA 1.310 57.581 56.287 -0.026 0.000 0.927 456 K CB -0.398 32.095 32.500 -0.011 0.000 0.712 456 K HN 0.100 nan 8.250 nan 0.000 0.441 457 I N -0.092 120.454 120.570 -0.041 0.000 2.286 457 I HA -0.187 3.982 4.170 -0.002 0.000 0.248 457 I C 2.297 178.367 176.117 -0.078 0.000 1.115 457 I CA 1.388 62.656 61.300 -0.054 0.000 1.392 457 I CB -0.716 37.246 38.000 -0.063 0.000 1.065 457 I HN 0.387 nan 8.210 nan 0.000 0.418 458 G N 0.677 109.418 108.800 -0.099 0.000 2.421 458 G HA2 -0.246 3.712 3.960 -0.002 0.000 0.216 458 G HA3 -0.246 3.712 3.960 -0.002 0.000 0.216 458 G C 1.272 176.129 174.900 -0.071 0.000 1.171 458 G CA 0.975 46.005 45.100 -0.115 0.000 0.775 458 G HN 0.291 nan 8.290 nan 0.000 0.543 459 D N 0.958 121.327 120.400 -0.051 0.000 2.117 459 D HA -0.101 4.538 4.640 -0.002 0.000 0.197 459 D C 2.357 178.652 176.300 -0.009 0.000 0.987 459 D CA 0.782 54.765 54.000 -0.027 0.000 0.829 459 D CB -0.266 40.520 40.800 -0.022 0.000 0.961 459 D HN 0.136 nan 8.370 nan 0.000 0.460 460 N N 0.778 119.470 118.700 -0.013 0.000 2.120 460 N HA -0.094 4.644 4.740 -0.002 0.000 0.188 460 N C 2.130 177.650 175.510 0.016 0.000 1.024 460 N CA 0.394 53.444 53.050 0.001 0.000 0.852 460 N CB -0.336 38.147 38.487 -0.006 0.000 1.003 460 N HN 0.287 nan 8.380 nan 0.000 0.424 461 I N 0.977 121.548 120.570 0.002 0.000 2.163 461 I HA -0.256 3.912 4.170 -0.002 0.000 0.243 461 I C 2.031 178.229 176.117 0.134 0.000 1.085 461 I CA 1.003 62.325 61.300 0.037 0.000 1.347 461 I CB -0.199 37.768 38.000 -0.055 0.000 1.044 461 I HN 0.053 nan 8.210 nan 0.000 0.408 462 I N 0.469 121.097 120.570 0.096 0.000 2.142 462 I HA -0.340 3.828 4.170 -0.002 0.000 0.240 462 I C 2.653 178.841 176.117 0.118 0.000 1.078 462 I CA 1.512 62.876 61.300 0.106 0.000 1.343 462 I CB -0.434 37.572 38.000 0.010 0.000 1.046 462 I HN 0.186 nan 8.210 nan 0.000 0.405 463 K N 1.247 121.688 120.400 0.069 0.000 2.032 463 K HA -0.212 4.106 4.320 -0.002 0.000 0.209 463 K C 2.079 178.713 176.600 0.057 0.000 1.048 463 K CA 2.179 58.500 56.287 0.056 0.000 0.927 463 K CB -0.110 32.409 32.500 0.032 0.000 0.712 463 K HN 0.489 nan 8.250 nan 0.000 0.441 464 I N -3.138 117.467 120.570 0.059 0.000 3.708 464 I HA 0.067 4.236 4.170 -0.002 0.000 0.302 464 I C 1.554 177.711 176.117 0.067 0.000 1.255 464 I CA 0.222 61.552 61.300 0.050 0.000 1.362 464 I CB 0.264 38.286 38.000 0.037 0.000 1.100 464 I HN -0.078 nan 8.210 nan 0.000 0.434 465 R N -0.570 119.998 120.500 0.115 0.000 2.335 465 R HA 0.170 4.509 4.340 -0.002 0.000 0.210 465 R C -0.315 176.080 176.300 0.157 0.000 0.892 465 R CA -0.193 56.002 56.100 0.158 0.000 1.048 465 R CB 0.248 30.675 30.300 0.211 0.000 1.067 465 R HN 0.245 nan 8.270 nan 0.000 0.524 466 Y N 2.001 122.240 120.300 -0.101 0.000 2.504 466 Y HA 0.369 4.917 4.550 -0.003 0.000 0.351 466 Y C -0.618 175.161 175.900 -0.202 0.000 0.988 466 Y CA -0.961 56.905 58.100 -0.390 0.000 1.239 466 Y CB 0.109 38.310 38.460 -0.431 0.000 1.128 466 Y HN -0.100 nan 8.280 nan 0.000 0.525 467 I N 5.679 126.003 120.570 -0.410 0.000 2.548 467 I HA 0.172 4.341 4.170 -0.002 0.000 0.287 467 I C -0.628 175.354 176.117 -0.225 0.000 1.103 467 I CA -0.838 60.308 61.300 -0.258 0.000 1.049 467 I CB 1.899 39.847 38.000 -0.088 0.000 1.232 467 I HN 0.435 nan 8.210 nan 0.000 0.429 468 D N 4.971 125.237 120.400 -0.223 0.000 2.751 468 D HA -0.191 4.448 4.640 -0.002 0.000 0.233 468 D C 1.168 177.441 176.300 -0.045 0.000 1.149 468 D CA 1.963 55.902 54.000 -0.102 0.000 0.682 468 D CB -0.863 39.929 40.800 -0.013 0.000 1.068 468 D HN 1.174 nan 8.370 nan 0.000 0.429 469 G N -1.907 106.669 108.800 -0.373 0.000 2.162 469 G HA2 -0.331 3.627 3.960 -0.002 0.000 0.260 469 G HA3 -0.331 3.627 3.960 -0.002 0.000 0.260 469 G C 0.252 175.022 174.900 -0.216 0.000 0.976 469 G CA 0.513 45.400 45.100 -0.355 0.000 0.655 469 G HN 0.471 nan 8.290 nan 0.000 0.533 470 F N -1.427 118.434 119.950 -0.148 0.000 2.639 470 F HA 0.821 5.346 4.527 -0.003 0.000 0.339 470 F C 0.075 175.785 175.800 -0.148 0.000 1.071 470 F CA -1.335 56.736 58.000 0.120 0.000 0.994 470 F CB 1.224 40.333 39.000 0.181 0.000 1.341 470 F HN -0.091 nan 8.300 nan 0.000 0.498 471 F N 2.085 122.198 119.950 0.271 0.000 2.444 471 F HA 0.627 5.152 4.527 -0.003 0.000 0.342 471 F C -0.251 175.611 175.800 0.104 0.000 1.121 471 F CA -0.493 57.553 58.000 0.077 0.000 0.997 471 F CB 1.378 40.276 39.000 -0.169 0.000 1.130 471 F HN -0.001 nan 8.300 nan 0.000 0.454 472 M N 2.048 121.789 119.600 0.235 0.000 2.446 472 M HA 0.398 4.877 4.480 -0.002 0.000 0.294 472 M C 0.452 176.821 176.300 0.116 0.000 1.158 472 M CA -0.745 54.648 55.300 0.154 0.000 0.899 472 M CB 2.351 35.023 32.600 0.119 0.000 1.687 472 M HN 0.664 nan 8.290 nan 0.000 0.455 473 A N 1.258 124.131 122.820 0.088 0.000 2.067 473 A HA 0.083 4.401 4.320 -0.002 0.000 0.219 473 A C 0.848 178.469 177.584 0.061 0.000 1.158 473 A CA 1.347 53.425 52.037 0.067 0.000 0.661 473 A CB 0.023 19.059 19.000 0.059 0.000 0.801 473 A HN 0.691 nan 8.150 nan 0.000 0.452 474 S N -1.967 113.769 115.700 0.061 0.000 2.536 474 S HA 0.388 4.857 4.470 -0.002 0.000 0.271 474 S C 0.809 175.431 174.600 0.037 0.000 1.134 474 S CA 0.166 58.393 58.200 0.045 0.000 0.897 474 S CB 1.435 64.659 63.200 0.040 0.000 1.094 474 S HN 0.443 nan 8.310 nan 0.000 0.473 475 S N 2.283 117.997 115.700 0.023 0.000 2.474 475 S HA -0.039 4.429 4.470 -0.002 0.000 0.235 475 S C 0.701 175.300 174.600 -0.002 0.000 0.997 475 S CA 0.813 59.018 58.200 0.008 0.000 0.949 475 S CB -0.276 62.925 63.200 0.001 0.000 0.766 475 S HN 0.764 nan 8.310 nan 0.000 0.517 476 D N 0.857 121.259 120.400 0.002 0.000 2.354 476 D HA 0.080 4.719 4.640 -0.002 0.000 0.209 476 D C 0.398 176.691 176.300 -0.012 0.000 1.015 476 D CA 0.127 54.122 54.000 -0.008 0.000 0.867 476 D CB 0.083 40.881 40.800 -0.004 0.000 0.933 476 D HN 0.228 nan 8.370 nan 0.000 0.520 477 R N 1.469 121.975 120.500 0.010 0.000 2.585 477 R HA -0.025 4.314 4.340 -0.002 0.000 0.275 477 R C 1.280 177.560 176.300 -0.032 0.000 1.018 477 R CA 0.211 56.327 56.100 0.025 0.000 1.072 477 R CB 0.725 31.074 30.300 0.082 0.000 0.953 477 R HN 0.121 nan 8.270 nan 0.000 0.419 478 Q N 2.279 122.032 119.800 -0.078 0.000 2.046 478 Q HA -0.076 4.263 4.340 -0.002 0.000 0.200 478 Q C -0.417 175.316 176.000 -0.445 0.000 0.975 478 Q CA 1.697 57.316 55.803 -0.306 0.000 0.836 478 Q CB 0.165 28.655 28.738 -0.413 0.000 0.896 478 Q HN 0.550 nan 8.270 nan 0.000 0.428 479 Y N -0.775 119.553 120.300 0.048 0.000 2.446 479 Y HA 0.687 5.236 4.550 -0.002 0.000 0.345 479 Y C -0.394 175.637 175.900 0.218 0.000 0.984 479 Y CA -1.188 56.967 58.100 0.092 0.000 1.058 479 Y CB 1.687 40.184 38.460 0.061 0.000 1.220 479 Y HN 0.038 nan 8.280 nan 0.000 0.455 480 A N 1.778 124.758 122.820 0.266 0.000 2.327 480 A HA 0.364 4.682 4.320 -0.002 0.000 0.283 480 A C -0.726 177.037 177.584 0.298 0.000 1.127 480 A CA -0.493 51.680 52.037 0.227 0.000 0.810 480 A CB 0.321 19.385 19.000 0.107 0.000 1.066 480 A HN 0.682 nan 8.150 nan 0.000 0.492 481 D N 2.160 122.591 120.400 0.052 0.000 2.317 481 D HA 0.229 4.868 4.640 -0.002 0.000 0.234 481 D C 1.402 177.782 176.300 0.134 0.000 1.112 481 D CA -0.056 53.804 54.000 -0.233 0.000 0.840 481 D CB 1.435 41.724 40.800 -0.852 0.000 1.078 481 D HN 0.382 nan 8.370 nan 0.000 0.486 482 V N 1.578 121.642 119.914 0.250 0.000 2.828 482 V HA -0.139 3.979 4.120 -0.002 0.000 0.260 482 V C 1.128 177.373 176.094 0.252 0.000 1.101 482 V CA 1.575 64.078 62.300 0.339 0.000 1.123 482 V CB -0.334 31.661 31.823 0.286 0.000 0.704 482 V HN 0.361 nan 8.190 nan 0.000 0.493 483 D N 0.742 121.213 120.400 0.119 0.000 2.325 483 D HA 0.389 5.027 4.640 -0.002 0.000 0.225 483 D C 1.014 177.342 176.300 0.046 0.000 1.096 483 D CA 0.584 54.627 54.000 0.072 0.000 0.844 483 D CB -0.120 40.688 40.800 0.014 0.000 0.925 483 D HN 0.773 nan 8.370 nan 0.000 0.513 484 A N 0.604 123.460 122.820 0.061 0.000 2.565 484 A HA 0.137 4.455 4.320 -0.002 0.000 0.237 484 A C 1.415 178.954 177.584 -0.076 0.000 1.053 484 A CA 0.018 52.044 52.037 -0.018 0.000 0.755 484 A CB -0.189 18.824 19.000 0.022 0.000 0.980 484 A HN 0.460 nan 8.150 nan 0.000 0.506 485 I N -1.048 119.440 120.570 -0.137 0.000 3.728 485 I HA 0.112 4.281 4.170 -0.002 0.000 0.307 485 I C 1.235 177.139 176.117 -0.356 0.000 1.276 485 I CA 0.534 61.739 61.300 -0.158 0.000 1.285 485 I CB -0.190 37.697 38.000 -0.188 0.000 1.038 485 I HN 0.638 nan 8.210 nan 0.000 0.445 486 E N 2.897 122.797 120.200 -0.500 0.000 2.049 486 E HA -0.159 4.190 4.350 -0.002 0.000 0.198 486 E C -0.482 175.561 176.600 -0.929 0.000 1.007 486 E CA 2.302 58.253 56.400 -0.748 0.000 0.809 486 E CB -1.591 27.581 29.700 -0.880 0.000 0.749 486 E HN 0.510 nan 8.360 nan 0.000 0.450 487 P HA -0.189 nan 4.420 nan 0.000 0.220 487 P C 1.090 178.198 177.300 -0.320 0.000 1.148 487 P CA 1.165 63.836 63.100 -0.715 0.000 0.803 487 P CB -0.015 31.368 31.700 -0.528 0.000 0.782 488 Y N 1.701 121.776 120.300 -0.374 0.000 2.163 488 Y HA -0.040 4.509 4.550 -0.002 0.000 0.288 488 Y C 2.641 178.317 175.900 -0.374 0.000 1.136 488 Y CA 0.914 58.885 58.100 -0.216 0.000 1.147 488 Y CB -1.319 37.096 38.460 -0.074 0.000 0.987 488 Y HN -0.076 nan 8.280 nan 0.000 0.509 489 A N 0.196 122.660 122.820 -0.595 0.000 1.902 489 A HA -0.162 4.157 4.320 -0.002 0.000 0.217 489 A C 2.424 179.639 177.584 -0.615 0.000 1.181 489 A CA 1.733 53.047 52.037 -1.205 0.000 0.623 489 A CB -1.185 17.019 19.000 -1.328 0.000 0.818 489 A HN 0.510 nan 8.150 nan 0.000 0.443 490 L N -0.698 120.256 121.223 -0.448 0.000 2.042 490 L HA -0.215 4.124 4.340 -0.002 0.000 0.210 490 L C 2.549 179.299 176.870 -0.200 0.000 1.076 490 L CA 1.202 55.861 54.840 -0.302 0.000 0.749 490 L CB -0.547 41.339 42.059 -0.290 0.000 0.893 490 L HN 0.387 nan 8.230 nan 0.000 0.432 491 L N -0.743 120.386 121.223 -0.157 0.000 2.109 491 L HA -0.138 4.200 4.340 -0.002 0.000 0.207 491 L C 2.886 179.741 176.870 -0.026 0.000 1.086 491 L CA 0.922 55.718 54.840 -0.075 0.000 0.760 491 L CB -0.712 41.313 42.059 -0.056 0.000 0.910 491 L HN 0.225 nan 8.230 nan 0.000 0.437 492 A N 0.194 123.009 122.820 -0.009 0.000 1.908 492 A HA -0.239 4.079 4.320 -0.002 0.000 0.218 492 A C 2.207 179.776 177.584 -0.025 0.000 1.181 492 A CA 1.756 53.818 52.037 0.042 0.000 0.627 492 A CB -0.656 18.396 19.000 0.087 0.000 0.818 492 A HN 0.323 nan 8.150 nan 0.000 0.445 493 L N -0.135 121.019 121.223 -0.114 0.000 2.017 493 L HA -0.121 4.218 4.340 -0.002 0.000 0.208 493 L C 2.233 179.062 176.870 -0.069 0.000 1.073 493 L CA 2.793 57.571 54.840 -0.104 0.000 0.745 493 L CB -0.845 41.123 42.059 -0.152 0.000 0.894 493 L HN 0.447 nan 8.230 nan 0.000 0.432 494 E N -0.029 120.132 120.200 -0.066 0.000 2.097 494 E HA -0.213 4.136 4.350 -0.002 0.000 0.196 494 E C 2.101 178.694 176.600 -0.011 0.000 1.000 494 E CA 1.719 58.094 56.400 -0.042 0.000 0.804 494 E CB -0.452 29.221 29.700 -0.046 0.000 0.740 494 E HN 0.573 nan 8.360 nan 0.000 0.454 495 A N -0.196 122.629 122.820 0.008 0.000 1.902 495 A HA -0.172 4.146 4.320 -0.002 0.000 0.217 495 A C 2.423 180.039 177.584 0.054 0.000 1.181 495 A CA 2.016 54.076 52.037 0.039 0.000 0.623 495 A CB -1.042 17.994 19.000 0.060 0.000 0.818 495 A HN 0.339 nan 8.150 nan 0.000 0.443 496 S N -0.287 115.445 115.700 0.053 0.000 2.348 496 S HA -0.125 4.344 4.470 -0.002 0.000 0.221 496 S C 1.951 176.578 174.600 0.045 0.000 1.033 496 S CA 1.571 59.819 58.200 0.080 0.000 1.010 496 S CB -0.524 62.715 63.200 0.065 0.000 0.891 496 S HN 0.479 nan 8.310 nan 0.000 0.442 497 L N 0.488 121.704 121.223 -0.011 0.000 2.131 497 L HA 0.002 4.341 4.340 -0.002 0.000 0.210 497 L C 2.684 179.559 176.870 0.009 0.000 1.092 497 L CA 1.238 56.063 54.840 -0.025 0.000 0.759 497 L CB -0.376 41.655 42.059 -0.048 0.000 0.903 497 L HN 0.241 nan 8.230 nan 0.000 0.435 498 R N 0.113 120.625 120.500 0.020 0.000 2.313 498 R HA 0.042 4.380 4.340 -0.002 0.000 0.199 498 R C -0.012 176.317 176.300 0.048 0.000 0.958 498 R CA 0.154 56.271 56.100 0.030 0.000 1.047 498 R CB -0.076 30.240 30.300 0.026 0.000 0.955 498 R HN 0.381 nan 8.270 nan 0.000 0.481 499 N N 0.443 119.183 118.700 0.066 0.000 2.754 499 N HA -0.183 4.555 4.740 -0.002 0.000 0.248 499 N C -0.990 174.570 175.510 0.084 0.000 1.093 499 N CA 0.817 53.920 53.050 0.088 0.000 0.699 499 N CB -0.629 37.906 38.487 0.080 0.000 1.016 499 N HN 0.187 nan 8.380 nan 0.000 0.552 500 K N -0.590 119.858 120.400 0.079 0.000 3.206 500 K HA 0.151 4.469 4.320 -0.002 0.000 0.180 500 K C -1.882 174.766 176.600 0.080 0.000 1.088 500 K CA -1.278 55.054 56.287 0.074 0.000 0.872 500 K CB 1.262 33.799 32.500 0.061 0.000 0.976 500 K HN 0.050 nan 8.250 nan 0.000 0.564 501 P HA -0.258 nan 4.420 nan 0.000 0.218 501 P C 1.188 178.540 177.300 0.087 0.000 1.149 501 P CA 1.213 64.366 63.100 0.090 0.000 0.817 501 P CB 0.279 32.026 31.700 0.080 0.000 0.785 502 Q N 0.529 120.378 119.800 0.082 0.000 2.561 502 Q HA -0.061 4.277 4.340 -0.002 0.000 0.217 502 Q C 1.620 177.677 176.000 0.096 0.000 0.980 502 Q CA 1.605 57.461 55.803 0.087 0.000 0.927 502 Q CB -1.159 27.625 28.738 0.078 0.000 0.980 502 Q HN 0.194 nan 8.270 nan 0.000 0.525 503 A N 0.378 123.251 122.820 0.088 0.000 2.119 503 A HA 0.230 4.548 4.320 -0.002 0.000 0.216 503 A C 0.725 178.361 177.584 0.086 0.000 1.152 503 A CA 0.444 52.532 52.037 0.085 0.000 0.708 503 A CB 0.380 19.422 19.000 0.069 0.000 0.805 503 A HN 0.164 nan 8.150 nan 0.000 0.460 504 V N -0.036 119.935 119.914 0.095 0.000 2.487 504 V HA 0.615 4.734 4.120 -0.002 0.000 0.298 504 V C 0.494 176.667 176.094 0.132 0.000 1.028 504 V CA -1.050 61.303 62.300 0.089 0.000 0.860 504 V CB 0.927 32.821 31.823 0.118 0.000 0.991 504 V HN 0.434 nan 8.190 nan 0.000 0.427 505 A N 7.267 130.135 122.820 0.080 0.000 2.561 505 A HA 0.424 4.742 4.320 -0.002 0.000 0.234 505 A C -1.884 175.836 177.584 0.227 0.000 1.055 505 A CA -0.464 51.648 52.037 0.124 0.000 0.756 505 A CB -0.427 18.526 19.000 -0.078 0.000 0.986 505 A HN 0.685 nan 8.150 nan 0.000 0.505 506 P HA 0.125 nan 4.420 nan 0.000 0.268 506 P C -0.730 176.629 177.300 0.099 0.000 1.204 506 P CA 0.113 63.290 63.100 0.129 0.000 0.768 506 P CB 0.297 32.037 31.700 0.066 0.000 0.842 507 F N 4.082 123.902 119.950 -0.217 0.000 2.424 507 F HA 0.252 4.777 4.527 -0.003 0.000 0.356 507 F C 0.401 175.947 175.800 -0.424 0.000 1.110 507 F CA -0.400 57.279 58.000 -0.534 0.000 1.161 507 F CB 0.348 38.516 39.000 -1.386 0.000 1.115 507 F HN 0.160 nan 8.300 nan 0.000 0.507 508 L N 4.808 125.430 121.223 -1.002 0.000 2.906 508 L HA 0.176 4.514 4.340 -0.002 0.000 0.255 508 L C 0.457 176.852 176.870 -0.793 0.000 1.166 508 L CA -0.245 54.120 54.840 -0.793 0.000 0.977 508 L CB -0.399 41.212 42.059 -0.746 0.000 1.313 508 L HN 0.748 nan 8.230 nan 0.000 0.549 509 N N 1.799 119.563 118.700 -1.559 0.000 2.738 509 N HA -0.143 4.596 4.740 -0.002 0.000 0.249 509 N C 0.176 175.514 175.510 -0.287 0.000 1.047 509 N CA 0.809 53.346 53.050 -0.854 0.000 0.707 509 N CB -0.751 37.482 38.487 -0.422 0.000 0.937 509 N HN 0.496 nan 8.380 nan 0.000 0.545 510 G N -0.755 107.932 108.800 -0.190 0.000 2.504 510 G HA2 0.833 4.792 3.960 -0.002 0.000 0.288 510 G HA3 0.833 4.792 3.960 -0.002 0.000 0.288 510 G C -0.390 174.461 174.900 -0.081 0.000 1.182 510 G CA 0.209 45.241 45.100 -0.114 0.000 0.894 510 G HN 0.853 nan 8.290 nan 0.000 0.521 511 A N -0.764 121.990 122.820 -0.111 0.000 2.597 511 A HA 0.844 5.162 4.320 -0.002 0.000 0.292 511 A C -0.124 177.417 177.584 -0.072 0.000 1.057 511 A CA -0.004 51.996 52.037 -0.060 0.000 0.674 511 A CB 1.072 20.061 19.000 -0.019 0.000 1.278 511 A HN 1.747 nan 8.150 nan 0.000 0.416 512 G N -0.850 107.924 108.800 -0.043 0.000 2.537 512 G HA2 0.925 4.883 3.960 -0.002 0.000 0.323 512 G HA3 0.925 4.883 3.960 -0.002 0.000 0.323 512 G C -0.826 174.144 174.900 0.117 0.000 1.207 512 G CA -0.255 44.821 45.100 -0.040 0.000 0.976 512 G HN 1.947 nan 8.290 nan 0.000 0.487 513 F N -1.369 118.516 119.950 -0.107 0.000 2.678 513 F HA 0.764 5.291 4.527 0.000 0.000 0.308 513 F C -0.932 174.808 175.800 -0.101 0.000 1.118 513 F CA -1.012 56.949 58.000 -0.066 0.000 0.959 513 F CB 1.592 40.553 39.000 -0.064 0.000 1.305 513 F HN 0.559 nan 8.300 nan 0.000 0.443 514 T N 1.736 116.169 114.554 -0.201 0.000 2.893 514 T HA 0.558 4.907 4.350 -0.002 0.000 0.293 514 T C -1.678 172.941 174.700 -0.134 0.000 1.027 514 T CA -0.673 61.196 62.100 -0.386 0.000 0.988 514 T CB 1.985 70.606 68.868 -0.413 0.000 1.043 514 T HN 0.851 nan 8.240 nan 0.000 0.461 515 E N 0.790 120.867 120.200 -0.205 0.000 2.308 515 E HA 0.651 4.999 4.350 -0.002 0.000 0.275 515 E C -0.636 176.067 176.600 0.172 0.000 0.890 515 E CA -0.649 55.832 56.400 0.134 0.000 0.754 515 E CB 1.636 31.523 29.700 0.312 0.000 1.207 515 E HN 0.970 nan 8.360 nan 0.000 0.426 516 G N 1.359 110.392 108.800 0.390 0.000 2.341 516 G HA2 0.504 4.462 3.960 -0.002 0.000 0.299 516 G HA3 0.504 4.462 3.960 -0.002 0.000 0.299 516 G C -1.448 173.772 174.900 0.533 0.000 1.274 516 G CA -0.271 45.078 45.100 0.415 0.000 0.853 516 G HN 0.612 nan 8.290 nan 0.000 0.493 517 A N -0.630 122.457 122.820 0.444 0.000 2.366 517 A HA 0.653 4.971 4.320 -0.002 0.000 0.272 517 A C -1.036 176.790 177.584 0.404 0.000 1.135 517 A CA -0.109 52.143 52.037 0.358 0.000 0.804 517 A CB 0.219 19.373 19.000 0.255 0.000 1.064 517 A HN 1.537 nan 8.150 nan 0.000 0.499 518 Y N 2.615 122.925 120.300 0.016 0.000 2.361 518 Y HA 0.475 5.024 4.550 -0.001 0.000 0.337 518 Y C 0.337 176.118 175.900 -0.197 0.000 0.965 518 Y CA -0.777 57.129 58.100 -0.323 0.000 1.091 518 Y CB 1.159 39.216 38.460 -0.672 0.000 1.182 518 Y HN 0.757 nan 8.280 nan 0.000 0.450 519 R N 7.323 127.543 120.500 -0.467 0.000 2.296 519 R HA 0.232 4.570 4.340 -0.002 0.000 0.323 519 R C -0.443 175.691 176.300 -0.277 0.000 1.067 519 R CA -0.424 55.517 56.100 -0.264 0.000 0.946 519 R CB 0.369 30.546 30.300 -0.205 0.000 0.991 519 R HN 0.737 nan 8.270 nan 0.000 0.448 520 M N 2.565 122.123 119.600 -0.070 0.000 2.157 520 M HA -0.013 4.466 4.480 -0.002 0.000 0.304 520 M C 0.902 177.180 176.300 -0.038 0.000 1.171 520 M CA 0.296 55.593 55.300 -0.006 0.000 1.157 520 M CB 0.339 32.955 32.600 0.025 0.000 1.403 520 M HN 0.569 nan 8.290 nan 0.000 0.473 521 D N 0.966 121.360 120.400 -0.011 0.000 2.350 521 D HA -0.118 4.521 4.640 -0.002 0.000 0.216 521 D C 0.807 177.100 176.300 -0.013 0.000 0.968 521 D CA 0.932 54.922 54.000 -0.017 0.000 0.894 521 D CB -0.128 40.670 40.800 -0.003 0.000 0.909 521 D HN 0.569 nan 8.370 nan 0.000 0.520 522 D N -1.498 118.897 120.400 -0.008 0.000 2.342 522 D HA 0.155 4.793 4.640 -0.002 0.000 0.221 522 D C 1.473 177.769 176.300 -0.005 0.000 1.101 522 D CA 0.412 54.410 54.000 -0.004 0.000 0.837 522 D CB 0.022 40.822 40.800 0.001 0.000 0.938 522 D HN 0.079 nan 8.370 nan 0.000 0.508 523 G N 0.064 108.855 108.800 -0.014 0.000 2.184 523 G HA2 -0.304 3.654 3.960 -0.002 0.000 0.264 523 G HA3 -0.304 3.654 3.960 -0.002 0.000 0.264 523 G C 0.474 175.372 174.900 -0.004 0.000 0.975 523 G CA 0.591 45.684 45.100 -0.013 0.000 0.642 523 G HN 0.858 nan 8.290 nan 0.000 0.536 524 S N -0.274 115.427 115.700 0.002 0.000 2.672 524 S HA 0.809 5.277 4.470 -0.002 0.000 0.276 524 S C 0.355 174.967 174.600 0.020 0.000 1.207 524 S CA 0.269 58.477 58.200 0.015 0.000 1.002 524 S CB 2.115 65.327 63.200 0.019 0.000 0.998 524 S HN 1.837 nan 8.310 nan 0.000 0.542 525 A N 1.315 124.157 122.820 0.038 0.000 2.309 525 A HA 0.471 4.790 4.320 -0.002 0.000 0.290 525 A C 0.336 177.961 177.584 0.069 0.000 1.206 525 A CA -0.663 51.408 52.037 0.057 0.000 0.850 525 A CB -0.083 18.963 19.000 0.076 0.000 1.118 525 A HN 0.812 nan 8.150 nan 0.000 0.523 526 R N 3.485 124.036 120.500 0.085 0.000 2.287 526 R HA 0.384 4.723 4.340 -0.002 0.000 0.327 526 R C -0.049 176.322 176.300 0.118 0.000 1.109 526 R CA -0.349 55.804 56.100 0.088 0.000 1.013 526 R CB 0.157 30.505 30.300 0.080 0.000 1.126 526 R HN 0.738 nan 8.270 nan 0.000 0.503 527 V N 1.763 121.745 119.914 0.112 0.000 2.963 527 V HA 0.120 4.239 4.120 -0.002 0.000 0.306 527 V C 0.613 176.792 176.094 0.142 0.000 1.077 527 V CA -0.079 62.304 62.300 0.139 0.000 1.124 527 V CB 1.440 33.335 31.823 0.121 0.000 0.987 527 V HN 0.953 nan 8.190 nan 0.000 0.487 528 S N 1.036 116.848 115.700 0.186 0.000 3.641 528 S HA -0.168 4.301 4.470 -0.002 0.000 0.346 528 S C 0.519 175.222 174.600 0.172 0.000 1.074 528 S CA 1.101 59.414 58.200 0.189 0.000 1.026 528 S CB -2.155 61.128 63.200 0.138 0.000 0.908 528 S HN 1.252 nan 8.310 nan 0.000 0.479 529 T N 2.502 117.180 114.554 0.207 0.000 2.851 529 T HA 0.353 4.702 4.350 -0.002 0.000 0.298 529 T C 0.631 175.501 174.700 0.284 0.000 0.977 529 T CA -0.077 62.096 62.100 0.122 0.000 1.126 529 T CB 0.593 69.423 68.868 -0.063 0.000 0.916 529 T HN 0.290 nan 8.240 nan 0.000 0.529 530 R N 1.830 122.426 120.500 0.161 0.000 2.664 530 R HA 0.245 4.583 4.340 -0.002 0.000 0.286 530 R C 0.856 177.252 176.300 0.159 0.000 0.967 530 R CA -0.830 55.414 56.100 0.241 0.000 0.933 530 R CB 1.112 31.515 30.300 0.171 0.000 1.146 530 R HN 0.697 nan 8.270 nan 0.000 0.468 531 D N 1.623 122.178 120.400 0.258 0.000 2.221 531 D HA -0.187 4.452 4.640 -0.002 0.000 0.204 531 D C 0.557 176.922 176.300 0.109 0.000 0.982 531 D CA 1.368 55.434 54.000 0.110 0.000 0.857 531 D CB -0.118 40.760 40.800 0.129 0.000 0.934 531 D HN 0.430 nan 8.370 nan 0.000 0.475 532 N N 0.966 119.788 118.700 0.202 0.000 2.091 532 N HA -0.185 4.554 4.740 -0.002 0.000 0.193 532 N C 1.576 177.155 175.510 0.115 0.000 1.021 532 N CA 1.852 55.022 53.050 0.199 0.000 0.862 532 N CB -0.227 38.327 38.487 0.110 0.000 1.018 532 N HN 0.472 nan 8.380 nan 0.000 0.429 533 E N 0.167 120.378 120.200 0.018 0.000 2.106 533 E HA -0.083 4.265 4.350 -0.002 0.000 0.192 533 E C 1.844 178.390 176.600 -0.091 0.000 0.984 533 E CA 0.632 57.006 56.400 -0.043 0.000 0.806 533 E CB -0.140 29.502 29.700 -0.096 0.000 0.750 533 E HN 0.367 nan 8.360 nan 0.000 0.458 534 L N -0.138 120.969 121.223 -0.194 0.000 2.093 534 L HA -0.137 4.202 4.340 -0.002 0.000 0.208 534 L C 2.037 178.811 176.870 -0.161 0.000 1.085 534 L CA 0.875 55.540 54.840 -0.292 0.000 0.755 534 L CB -0.268 41.466 42.059 -0.541 0.000 0.904 534 L HN 0.089 nan 8.230 nan 0.000 0.435 535 F N -0.427 119.536 119.950 0.021 0.000 2.604 535 F HA -0.050 4.476 4.527 -0.003 0.000 0.298 535 F C 2.000 177.840 175.800 0.067 0.000 1.131 535 F CA 0.776 58.822 58.000 0.076 0.000 1.457 535 F CB -0.340 38.698 39.000 0.063 0.000 1.095 535 F HN -0.033 nan 8.300 nan 0.000 0.574 536 L N -0.701 120.631 121.223 0.181 0.000 2.529 536 L HA 0.077 4.415 4.340 -0.002 0.000 0.223 536 L C 0.575 177.488 176.870 0.071 0.000 1.113 536 L CA -0.007 54.900 54.840 0.112 0.000 0.861 536 L CB -0.169 41.933 42.059 0.071 0.000 1.012 536 L HN -0.075 nan 8.230 nan 0.000 0.461 537 L N 1.106 122.365 121.223 0.060 0.000 2.453 537 L HA 0.026 4.364 4.340 -0.002 0.000 0.272 537 L C 0.199 177.087 176.870 0.030 0.000 1.182 537 L CA -0.016 54.843 54.840 0.032 0.000 0.858 537 L CB 0.009 42.082 42.059 0.024 0.000 1.120 537 L HN 0.203 nan 8.230 nan 0.000 0.474 538 N N 1.062 119.765 118.700 0.006 0.000 2.447 538 N HA 0.310 5.049 4.740 -0.002 0.000 0.271 538 N C -0.530 174.958 175.510 -0.038 0.000 1.226 538 N CA -0.644 52.400 53.050 -0.011 0.000 0.980 538 N CB 1.146 39.631 38.487 -0.004 0.000 1.206 538 N HN 0.158 nan 8.380 nan 0.000 0.558 539 V N 0.602 120.485 119.914 -0.052 0.000 2.599 539 V HA 0.222 4.341 4.120 -0.002 0.000 0.300 539 V C 1.501 177.568 176.094 -0.044 0.000 1.034 539 V CA 1.161 63.421 62.300 -0.066 0.000 1.115 539 V CB 0.082 31.865 31.823 -0.067 0.000 0.934 539 V HN 0.991 nan 8.190 nan 0.000 0.485 540 G N 3.517 112.291 108.800 -0.043 0.000 2.179 540 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.260 540 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.260 540 G C 0.038 174.926 174.900 -0.020 0.000 0.977 540 G CA 0.231 45.314 45.100 -0.028 0.000 0.641 540 G HN 0.694 nan 8.290 nan 0.000 0.533 541 E N 0.560 120.748 120.200 -0.021 0.000 2.231 541 E HA 0.564 4.912 4.350 -0.002 0.000 0.277 541 E C 0.048 176.640 176.600 -0.014 0.000 0.999 541 E CA -0.479 55.912 56.400 -0.015 0.000 0.827 541 E CB 1.172 30.864 29.700 -0.013 0.000 1.101 541 E HN 0.262 nan 8.360 nan 0.000 0.393 542 K N 1.790 122.181 120.400 -0.014 0.000 2.281 542 K HA 0.411 4.730 4.320 -0.002 0.000 0.242 542 K C -0.203 176.378 176.600 -0.032 0.000 0.971 542 K CA -0.921 55.358 56.287 -0.014 0.000 0.834 542 K CB 1.600 34.099 32.500 -0.003 0.000 1.181 542 K HN 0.337 nan 8.250 nan 0.000 0.435 543 L N 2.614 123.803 121.223 -0.056 0.000 2.525 543 L HA -0.072 4.267 4.340 -0.002 0.000 0.278 543 L C 0.411 177.253 176.870 -0.047 0.000 1.218 543 L CA 0.282 55.069 54.840 -0.087 0.000 0.878 543 L CB 0.134 42.095 42.059 -0.163 0.000 1.127 543 L HN 0.280 nan 8.230 nan 0.000 0.492 544 Q N 4.630 124.404 119.800 -0.043 0.000 2.296 544 Q HA 0.312 4.651 4.340 -0.002 0.000 0.257 544 Q C -2.084 173.904 176.000 -0.021 0.000 0.942 544 Q CA -2.025 53.763 55.803 -0.025 0.000 0.939 544 Q CB 0.966 29.691 28.738 -0.021 0.000 1.198 544 Q HN 0.290 nan 8.270 nan 0.000 0.429 545 P HA -0.152 nan 4.420 nan 0.000 0.262 545 P C -0.325 176.975 177.300 -0.001 0.000 1.151 545 P CA 0.621 63.721 63.100 0.001 0.000 0.757 545 P CB 0.394 32.097 31.700 0.005 0.000 0.754 546 N N 0.000 118.703 118.700 0.005 0.000 1.763 546 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 546 N CA 0.000 53.052 53.050 0.003 0.000 0.885 546 N CB 0.000 38.489 38.487 0.003 0.000 1.341 546 N HN 0.000 nan 8.380 nan 0.000 0.667