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 3kum_1_G DATA FIRST_RESID 1 DATA SEQUENCE MKIKQVHVRA SKIKLKETFT IALGTIESAD SAIVEIETEE GLVGYGEGGP DATA SEQUENCE GIFITGETLA GTLETIELFG QAIIGLNPFN IEKIHEVMDK ISAFAPAAKA DATA SEQUENCE AIDIACYDLM GQKAQLPLYQ LLGGYDNQVI TDITLGIDEP NVMAQKAVEK DATA SEQUENCE VKLGFDTLKI KVGTGIEADI ARVKAIREAV GFDIKLRLDA NQAWTPKDAV DATA SEQUENCE KAIQALADYQ IELVEQPVKR RDLEGLKYVT SQVNTTIMAD ESCFDAQDAL DATA SEQUENCE ELVKKGTVDV INIKLMKCGG IHEALKINQI CETAGIECMI GCMAEETTIG DATA SEQUENCE ITAAAHLAAA QKNITRADLD ATFGLETAPV TGGVSLEAKP LLELGEAAGL DATA SEQUENCE GISH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.324 176.300 0.039 0.000 1.140 1 M CA 0.000 55.343 55.300 0.072 0.000 0.988 1 M CB 0.000 32.668 32.600 0.113 0.000 1.302 2 K N 2.918 123.325 120.400 0.012 0.000 2.513 2 K HA 0.604 4.924 4.320 -0.000 0.000 0.251 2 K C -1.256 175.332 176.600 -0.019 0.000 0.939 2 K CA -0.748 55.536 56.287 -0.005 0.000 0.793 2 K CB 2.847 35.345 32.500 -0.003 0.000 1.241 2 K HN 0.596 nan 8.250 nan 0.000 0.431 3 I N 3.240 123.789 120.570 -0.034 0.000 2.598 3 I HA -0.064 4.106 4.170 -0.000 0.000 0.284 3 I C 1.480 177.576 176.117 -0.035 0.000 1.140 3 I CA 0.501 61.775 61.300 -0.044 0.000 1.420 3 I CB 0.607 38.571 38.000 -0.060 0.000 1.387 3 I HN 0.684 nan 8.210 nan 0.000 0.553 4 K N 4.221 124.604 120.400 -0.029 0.000 2.190 4 K HA 0.092 4.411 4.320 -0.000 0.000 0.202 4 K C 0.382 176.958 176.600 -0.041 0.000 1.045 4 K CA 0.558 56.831 56.287 -0.023 0.000 0.976 4 K CB 0.498 32.996 32.500 -0.004 0.000 0.849 4 K HN 0.569 nan 8.250 nan 0.000 0.468 5 Q N -0.144 119.625 119.800 -0.053 0.000 2.472 5 Q HA 0.336 4.676 4.340 -0.000 0.000 0.281 5 Q C -2.136 173.746 176.000 -0.197 0.000 0.997 5 Q CA -0.694 55.022 55.803 -0.145 0.000 0.828 5 Q CB 2.530 31.171 28.738 -0.163 0.000 1.443 5 Q HN -0.025 nan 8.270 nan 0.000 0.390 6 V N 3.383 123.113 119.914 -0.306 0.000 2.409 6 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 6 V C -1.063 174.805 176.094 -0.376 0.000 1.020 6 V CA -0.685 61.478 62.300 -0.228 0.000 0.848 6 V CB 1.395 33.145 31.823 -0.121 0.000 0.990 6 V HN 0.794 nan 8.190 nan 0.000 0.430 7 H N 2.374 121.406 119.070 -0.063 0.000 2.469 7 H HA 0.779 5.334 4.556 -0.000 0.000 0.342 7 H C -0.567 174.729 175.328 -0.053 0.000 1.115 7 H CA -0.593 55.421 56.048 -0.056 0.000 1.204 7 H CB 2.090 31.815 29.762 -0.062 0.000 1.492 7 H HN 0.478 nan 8.280 nan 0.000 0.499 8 V N 3.782 123.728 119.914 0.054 0.000 2.789 8 V HA 0.653 4.772 4.120 -0.000 0.000 0.311 8 V C -1.066 175.041 176.094 0.021 0.000 1.073 8 V CA -0.695 61.618 62.300 0.021 0.000 0.921 8 V CB 1.636 33.451 31.823 -0.013 0.000 1.009 8 V HN 0.997 nan 8.190 nan 0.000 0.426 9 R N 4.951 125.461 120.500 0.017 0.000 2.774 9 R HA 0.915 5.255 4.340 -0.000 0.000 0.272 9 R C -0.833 175.470 176.300 0.007 0.000 1.000 9 R CA -0.462 55.646 56.100 0.013 0.000 0.906 9 R CB 2.002 32.314 30.300 0.021 0.000 1.227 9 R HN 0.858 nan 8.270 nan 0.000 0.468 10 A N 0.905 123.726 122.820 0.002 0.000 2.322 10 A HA 0.506 4.825 4.320 -0.000 0.000 0.269 10 A C -0.451 177.135 177.584 0.004 0.000 1.094 10 A CA -0.331 51.704 52.037 -0.002 0.000 0.807 10 A CB 1.055 20.052 19.000 -0.006 0.000 1.047 10 A HN 0.648 nan 8.150 nan 0.000 0.487 11 S N 0.659 116.360 115.700 0.002 0.000 2.677 11 S HA 0.527 4.997 4.470 -0.000 0.000 0.283 11 S C -1.127 173.473 174.600 -0.000 0.000 1.159 11 S CA -0.700 57.503 58.200 0.006 0.000 1.001 11 S CB 0.378 63.584 63.200 0.011 0.000 1.032 11 S HN 0.591 nan 8.310 nan 0.000 0.487 12 K N 4.537 124.938 120.400 0.002 0.000 2.450 12 K HA 0.571 4.891 4.320 -0.000 0.000 0.257 12 K C -1.197 175.404 176.600 0.003 0.000 0.953 12 K CA -0.399 55.888 56.287 0.000 0.000 0.844 12 K CB 1.637 34.138 32.500 0.001 0.000 1.103 12 K HN 0.566 nan 8.250 nan 0.000 0.429 13 I N 2.798 123.369 120.570 0.001 0.000 2.447 13 I HA 0.227 4.396 4.170 -0.000 0.000 0.287 13 I C -0.237 175.884 176.117 0.006 0.000 1.023 13 I CA -0.925 60.377 61.300 0.004 0.000 1.083 13 I CB 1.863 39.863 38.000 0.000 0.000 1.245 13 I HN 0.413 nan 8.210 nan 0.000 0.434 14 K N 6.402 126.808 120.400 0.010 0.000 2.448 14 K HA 0.327 4.647 4.320 -0.000 0.000 0.278 14 K C -0.764 175.845 176.600 0.015 0.000 1.009 14 K CA -0.185 56.111 56.287 0.014 0.000 0.995 14 K CB 0.645 33.154 32.500 0.016 0.000 0.917 14 K HN 0.530 nan 8.250 nan 0.000 0.481 15 L N 4.986 126.222 121.223 0.021 0.000 2.375 15 L HA 0.150 4.489 4.340 -0.000 0.000 0.271 15 L C 1.366 178.253 176.870 0.028 0.000 1.107 15 L CA -0.313 54.541 54.840 0.022 0.000 0.806 15 L CB 1.156 43.236 42.059 0.035 0.000 1.146 15 L HN 0.759 nan 8.230 nan 0.000 0.447 16 K N 1.125 121.540 120.400 0.025 0.000 2.147 16 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 16 K C 0.137 176.757 176.600 0.034 0.000 1.049 16 K CA 1.180 57.484 56.287 0.028 0.000 0.936 16 K CB 0.108 32.625 32.500 0.027 0.000 0.722 16 K HN 0.672 nan 8.250 nan 0.000 0.446 17 E N -0.193 120.034 120.200 0.045 0.000 2.412 17 E HA 0.130 4.480 4.350 -0.000 0.000 0.279 17 E C -1.131 175.523 176.600 0.091 0.000 0.984 17 E CA -0.984 55.451 56.400 0.059 0.000 0.788 17 E CB 1.236 30.972 29.700 0.059 0.000 1.277 17 E HN -0.043 nan 8.360 nan 0.000 0.455 18 T N 0.115 114.723 114.554 0.091 0.000 2.834 18 T HA 0.287 4.637 4.350 -0.000 0.000 0.298 18 T C -0.417 174.392 174.700 0.182 0.000 0.966 18 T CA -0.527 61.641 62.100 0.114 0.000 1.141 18 T CB 0.031 68.941 68.868 0.071 0.000 0.905 18 T HN 0.366 nan 8.240 nan 0.000 0.535 19 F N 3.094 123.061 119.950 0.028 0.000 2.408 19 F HA 0.563 5.090 4.527 -0.000 0.000 0.344 19 F C -0.071 175.746 175.800 0.029 0.000 1.112 19 F CA -0.734 57.282 58.000 0.027 0.000 1.096 19 F CB 1.371 40.393 39.000 0.036 0.000 1.129 19 F HN 0.722 nan 8.300 nan 0.000 0.486 20 T N 7.757 121.980 114.554 -0.552 0.000 2.861 20 T HA 0.663 5.013 4.350 -0.000 0.000 0.287 20 T C -0.403 173.891 174.700 -0.676 0.000 1.003 20 T CA -0.474 61.331 62.100 -0.492 0.000 0.977 20 T CB 1.359 70.082 68.868 -0.242 0.000 0.996 20 T HN 0.608 nan 8.240 nan 0.000 0.448 21 I N -0.687 119.558 120.570 -0.542 0.000 3.322 21 I HA 0.830 5.000 4.170 -0.000 0.000 0.313 21 I C 1.229 177.133 176.117 -0.354 0.000 1.129 21 I CA -1.491 59.542 61.300 -0.444 0.000 0.963 21 I CB 1.231 38.992 38.000 -0.399 0.000 1.273 21 I HN 0.591 nan 8.210 nan 0.000 0.473 22 A N 1.393 124.038 122.820 -0.292 0.000 2.076 22 A HA 0.019 4.339 4.320 -0.000 0.000 0.220 22 A C 1.863 179.271 177.584 -0.293 0.000 1.160 22 A CA 1.473 53.358 52.037 -0.254 0.000 0.653 22 A CB -0.871 17.988 19.000 -0.236 0.000 0.801 22 A HN 0.718 nan 8.150 nan 0.000 0.455 23 L N -2.151 118.823 121.223 -0.414 0.000 2.446 23 L HA 0.341 4.681 4.340 -0.000 0.000 0.219 23 L C 1.234 177.601 176.870 -0.838 0.000 1.116 23 L CA 0.419 54.927 54.840 -0.552 0.000 0.844 23 L CB -0.212 41.510 42.059 -0.562 0.000 0.970 23 L HN 0.571 nan 8.230 nan 0.000 0.457 24 G N -0.522 107.786 108.800 -0.821 0.000 2.356 24 G HA2 0.212 4.171 3.960 -0.000 0.000 0.288 24 G HA3 0.212 4.171 3.960 -0.000 0.000 0.288 24 G C -1.064 173.609 174.900 -0.378 0.000 1.302 24 G CA -0.155 44.581 45.100 -0.607 0.000 0.887 24 G HN -0.056 nan 8.290 nan 0.000 0.521 25 T N -1.931 112.588 114.554 -0.059 0.000 2.908 25 T HA 0.786 5.136 4.350 -0.000 0.000 0.290 25 T C -0.521 174.312 174.700 0.222 0.000 1.034 25 T CA -0.633 61.493 62.100 0.043 0.000 1.010 25 T CB 2.147 71.017 68.868 0.004 0.000 1.068 25 T HN 1.397 nan 8.240 nan 0.000 0.481 26 I N 0.667 121.366 120.570 0.214 0.000 2.647 26 I HA 0.491 4.661 4.170 -0.000 0.000 0.295 26 I C 0.408 176.615 176.117 0.150 0.000 1.078 26 I CA -0.751 60.672 61.300 0.204 0.000 1.048 26 I CB 2.290 40.438 38.000 0.247 0.000 1.239 26 I HN 1.034 nan 8.210 nan 0.000 0.421 27 E N 3.573 123.833 120.200 0.100 0.000 2.453 27 E HA 0.192 4.542 4.350 -0.000 0.000 0.211 27 E C -0.345 176.287 176.600 0.054 0.000 0.897 27 E CA 0.037 56.482 56.400 0.075 0.000 1.063 27 E CB 0.776 30.510 29.700 0.057 0.000 1.080 27 E HN 0.505 nan 8.360 nan 0.000 0.512 28 S N -0.565 115.161 115.700 0.044 0.000 2.546 28 S HA 0.655 5.124 4.470 -0.000 0.000 0.274 28 S C -1.403 173.205 174.600 0.013 0.000 1.121 28 S CA -0.425 57.789 58.200 0.025 0.000 0.887 28 S CB 1.703 64.913 63.200 0.017 0.000 1.094 28 S HN 0.206 nan 8.310 nan 0.000 0.474 29 A N 3.477 126.298 122.820 0.002 0.000 2.650 29 A HA 0.479 4.799 4.320 -0.000 0.000 0.320 29 A C -0.858 176.716 177.584 -0.016 0.000 1.466 29 A CA -0.424 51.605 52.037 -0.013 0.000 1.099 29 A CB -0.258 18.729 19.000 -0.022 0.000 1.136 29 A HN 0.695 nan 8.150 nan 0.000 0.532 30 D N 2.315 122.702 120.400 -0.021 0.000 2.373 30 D HA 0.453 5.093 4.640 -0.000 0.000 0.227 30 D C 0.193 176.475 176.300 -0.030 0.000 1.091 30 D CA 0.263 54.250 54.000 -0.021 0.000 0.840 30 D CB 1.559 42.347 40.800 -0.020 0.000 1.060 30 D HN 0.534 nan 8.370 nan 0.000 0.502 31 S N 0.142 115.829 115.700 -0.023 0.000 2.740 31 S HA 0.857 5.327 4.470 -0.000 0.000 0.300 31 S C -0.763 173.827 174.600 -0.016 0.000 1.147 31 S CA -1.055 57.130 58.200 -0.025 0.000 0.871 31 S CB 1.909 65.095 63.200 -0.023 0.000 1.173 31 S HN 0.350 nan 8.310 nan 0.000 0.510 32 A N 0.704 123.514 122.820 -0.017 0.000 2.288 32 A HA 0.757 5.076 4.320 -0.000 0.000 0.320 32 A C -0.613 176.974 177.584 0.005 0.000 1.217 32 A CA -0.778 51.253 52.037 -0.011 0.000 0.840 32 A CB -0.044 18.941 19.000 -0.025 0.000 1.179 32 A HN 0.768 nan 8.150 nan 0.000 0.504 33 I N 3.139 123.719 120.570 0.018 0.000 2.354 33 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 33 I C -0.606 175.532 176.117 0.034 0.000 0.989 33 I CA -0.689 60.636 61.300 0.041 0.000 1.188 33 I CB 1.833 39.872 38.000 0.065 0.000 1.342 33 I HN 0.308 nan 8.210 nan 0.000 0.457 34 V N 6.459 126.391 119.914 0.031 0.000 2.547 34 V HA 0.372 4.492 4.120 -0.000 0.000 0.299 34 V C -0.233 175.830 176.094 -0.051 0.000 1.040 34 V CA -0.538 61.764 62.300 0.003 0.000 0.913 34 V CB 1.943 33.768 31.823 0.004 0.000 0.992 34 V HN 0.676 nan 8.190 nan 0.000 0.449 35 E N 4.675 124.829 120.200 -0.077 0.000 2.244 35 E HA 0.491 4.841 4.350 -0.000 0.000 0.260 35 E C -1.286 175.271 176.600 -0.071 0.000 0.884 35 E CA -0.390 55.886 56.400 -0.206 0.000 0.777 35 E CB 2.373 31.916 29.700 -0.262 0.000 1.197 35 E HN 0.514 nan 8.360 nan 0.000 0.416 36 I N 2.709 123.210 120.570 -0.114 0.000 2.330 36 I HA 0.175 4.345 4.170 -0.000 0.000 0.289 36 I C 0.199 176.281 176.117 -0.058 0.000 1.001 36 I CA -0.386 60.876 61.300 -0.064 0.000 1.193 36 I CB 1.134 39.087 38.000 -0.079 0.000 1.345 36 I HN 0.457 nan 8.210 nan 0.000 0.461 37 E N 5.832 126.032 120.200 -0.000 0.000 2.197 37 E HA 0.343 4.693 4.350 -0.000 0.000 0.281 37 E C -0.483 176.111 176.600 -0.010 0.000 0.995 37 E CA -0.520 55.883 56.400 0.004 0.000 0.808 37 E CB 1.343 31.088 29.700 0.075 0.000 1.093 37 E HN 0.663 nan 8.360 nan 0.000 0.394 38 T N 1.260 115.805 114.554 -0.016 0.000 2.912 38 T HA 0.230 4.580 4.350 -0.000 0.000 0.280 38 T C 1.003 175.700 174.700 -0.003 0.000 0.989 38 T CA -0.829 61.261 62.100 -0.015 0.000 0.995 38 T CB 1.335 70.193 68.868 -0.017 0.000 1.077 38 T HN 0.421 nan 8.240 nan 0.000 0.531 39 E N 0.704 120.902 120.200 -0.002 0.000 2.153 39 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 39 E C 1.982 178.585 176.600 0.005 0.000 0.988 39 E CA 1.454 57.855 56.400 0.002 0.000 0.811 39 E CB -0.097 29.604 29.700 0.001 0.000 0.746 39 E HN 0.962 nan 8.360 nan 0.000 0.466 40 E N -0.415 119.789 120.200 0.007 0.000 2.427 40 E HA 0.014 4.364 4.350 -0.000 0.000 0.196 40 E C 1.175 177.780 176.600 0.009 0.000 1.028 40 E CA 0.805 57.211 56.400 0.010 0.000 0.864 40 E CB 0.197 29.906 29.700 0.015 0.000 0.813 40 E HN 0.184 nan 8.360 nan 0.000 0.514 41 G N 1.101 109.905 108.800 0.006 0.000 2.231 41 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.206 41 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.206 41 G C 0.191 175.093 174.900 0.004 0.000 0.996 41 G CA 0.006 45.109 45.100 0.006 0.000 0.645 41 G HN 0.167 nan 8.290 nan 0.000 0.498 42 L N 1.295 122.520 121.223 0.004 0.000 2.456 42 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 42 L C 0.340 177.200 176.870 -0.016 0.000 1.189 42 L CA -0.374 54.468 54.840 0.003 0.000 0.846 42 L CB 1.341 43.402 42.059 0.002 0.000 1.111 42 L HN -0.029 nan 8.230 nan 0.000 0.475 43 V N 1.950 121.854 119.914 -0.016 0.000 2.483 43 V HA 0.522 4.642 4.120 -0.000 0.000 0.297 43 V C 0.442 176.484 176.094 -0.086 0.000 1.027 43 V CA -0.554 61.698 62.300 -0.081 0.000 0.855 43 V CB 1.624 33.372 31.823 -0.125 0.000 0.995 43 V HN 0.877 nan 8.190 nan 0.000 0.424 44 G N 3.100 111.825 108.800 -0.126 0.000 2.371 44 G HA2 0.599 4.559 3.960 -0.000 0.000 0.326 44 G HA3 0.599 4.559 3.960 -0.000 0.000 0.326 44 G C -1.396 173.411 174.900 -0.156 0.000 1.127 44 G CA -0.322 44.741 45.100 -0.061 0.000 0.885 44 G HN 0.517 nan 8.290 nan 0.000 0.477 45 Y N 0.382 120.676 120.300 -0.010 0.000 2.342 45 Y HA 0.605 5.155 4.550 -0.000 0.000 0.334 45 Y C 0.913 176.814 175.900 0.002 0.000 1.067 45 Y CA 0.000 58.100 58.100 -0.000 0.000 1.128 45 Y CB 2.488 40.948 38.460 -0.001 0.000 1.200 45 Y HN 0.751 nan 8.280 nan 0.000 0.464 46 G N 1.572 110.448 108.800 0.127 0.000 2.694 46 G HA2 0.614 4.574 3.960 -0.000 0.000 0.290 46 G HA3 0.614 4.574 3.960 -0.000 0.000 0.290 46 G C -1.991 172.953 174.900 0.073 0.000 1.386 46 G CA -0.786 44.365 45.100 0.084 0.000 0.872 46 G HN 0.523 nan 8.290 nan 0.000 0.475 47 E N -0.936 119.294 120.200 0.050 0.000 2.343 47 E HA 0.581 4.931 4.350 -0.000 0.000 0.278 47 E C -0.882 175.726 176.600 0.012 0.000 0.910 47 E CA -1.026 55.393 56.400 0.031 0.000 0.757 47 E CB 2.033 31.748 29.700 0.026 0.000 1.218 47 E HN 0.825 nan 8.360 nan 0.000 0.435 48 G N 1.584 110.383 108.800 -0.002 0.000 2.660 48 G HA2 0.544 4.504 3.960 -0.000 0.000 0.305 48 G HA3 0.544 4.504 3.960 -0.000 0.000 0.305 48 G C -0.454 174.425 174.900 -0.035 0.000 1.329 48 G CA -0.502 44.587 45.100 -0.019 0.000 1.000 48 G HN 0.431 nan 8.290 nan 0.000 0.514 49 G N 3.943 112.715 108.800 -0.046 0.000 2.475 49 G HA2 0.617 4.576 3.960 -0.000 0.000 0.322 49 G HA3 0.617 4.576 3.960 -0.000 0.000 0.322 49 G C -2.388 172.466 174.900 -0.078 0.000 1.044 49 G CA -1.242 43.823 45.100 -0.058 0.000 1.047 49 G HN 0.437 nan 8.290 nan 0.000 0.436 50 P HA 0.302 nan 4.420 nan 0.000 0.285 50 P C 0.076 177.296 177.300 -0.133 0.000 1.259 50 P CA -0.210 62.834 63.100 -0.093 0.000 0.794 50 P CB 2.169 33.823 31.700 -0.076 0.000 0.940 51 G N 3.262 111.969 108.800 -0.155 0.000 2.866 51 G HA2 0.219 4.179 3.960 -0.000 0.000 0.318 51 G HA3 0.219 4.179 3.960 -0.000 0.000 0.318 51 G C 0.768 175.514 174.900 -0.257 0.000 1.336 51 G CA -0.522 44.408 45.100 -0.284 0.000 1.067 51 G HN 0.560 nan 8.290 nan 0.000 0.515 52 I N 2.353 122.763 120.570 -0.266 0.000 2.248 52 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 52 I C 2.094 178.206 176.117 -0.008 0.000 1.107 52 I CA 1.512 62.747 61.300 -0.108 0.000 1.373 52 I CB 0.137 38.097 38.000 -0.067 0.000 1.055 52 I HN 0.637 nan 8.210 nan 0.000 0.418 53 F N -1.354 118.627 119.950 0.051 0.000 2.797 53 F HA 0.218 4.745 4.527 -0.000 0.000 0.302 53 F C 1.518 177.360 175.800 0.070 0.000 1.130 53 F CA -0.220 57.809 58.000 0.049 0.000 1.387 53 F CB -0.272 38.743 39.000 0.024 0.000 1.107 53 F HN -0.105 nan 8.300 nan 0.000 0.577 54 I N 0.782 121.500 120.570 0.245 0.000 3.366 54 I HA -0.009 4.161 4.170 -0.000 0.000 0.267 54 I C 2.186 178.486 176.117 0.305 0.000 1.149 54 I CA 1.523 62.981 61.300 0.264 0.000 1.436 54 I CB -0.690 37.389 38.000 0.132 0.000 1.379 54 I HN 0.293 nan 8.210 nan 0.000 0.460 55 T N -2.789 111.899 114.554 0.223 0.000 2.975 55 T HA 0.355 4.705 4.350 -0.000 0.000 0.257 55 T C 1.510 176.432 174.700 0.371 0.000 1.003 55 T CA 0.745 63.080 62.100 0.392 0.000 0.932 55 T CB 0.958 69.958 68.868 0.220 0.000 1.087 55 T HN 0.439 nan 8.240 nan 0.000 0.512 56 G N 1.373 110.298 108.800 0.208 0.000 2.199 56 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.254 56 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.254 56 G C -0.173 174.804 174.900 0.128 0.000 0.982 56 G CA 0.065 45.266 45.100 0.169 0.000 0.632 56 G HN 0.661 nan 8.290 nan 0.000 0.529 57 E N 1.590 121.854 120.200 0.106 0.000 2.373 57 E HA 0.476 4.826 4.350 -0.000 0.000 0.267 57 E C 0.782 177.374 176.600 -0.012 0.000 1.032 57 E CA 0.582 57.003 56.400 0.035 0.000 0.889 57 E CB 0.730 30.420 29.700 -0.017 0.000 0.984 57 E HN 0.452 nan 8.360 nan 0.000 0.425 58 T N -0.264 114.280 114.554 -0.016 0.000 2.950 58 T HA 0.232 4.582 4.350 -0.000 0.000 0.288 58 T C 0.643 175.319 174.700 -0.041 0.000 1.035 58 T CA -0.918 61.165 62.100 -0.029 0.000 1.028 58 T CB 1.176 70.035 68.868 -0.015 0.000 1.109 58 T HN 0.309 nan 8.240 nan 0.000 0.514 59 L N 1.562 122.760 121.223 -0.041 0.000 2.093 59 L HA 0.209 4.549 4.340 -0.000 0.000 0.208 59 L C 2.668 179.513 176.870 -0.042 0.000 1.085 59 L CA 2.286 57.100 54.840 -0.042 0.000 0.755 59 L CB -1.422 40.616 42.059 -0.035 0.000 0.904 59 L HN 0.937 nan 8.230 nan 0.000 0.435 60 A N -0.475 122.324 122.820 -0.035 0.000 1.877 60 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 60 A C 2.344 179.899 177.584 -0.047 0.000 1.186 60 A CA 1.542 53.558 52.037 -0.036 0.000 0.620 60 A CB -1.594 17.391 19.000 -0.026 0.000 0.822 60 A HN 0.504 nan 8.150 nan 0.000 0.443 61 G N -1.277 107.497 108.800 -0.044 0.000 2.422 61 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 61 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 61 G C 1.559 176.405 174.900 -0.089 0.000 1.146 61 G CA 1.651 46.719 45.100 -0.055 0.000 0.769 61 G HN 0.435 nan 8.290 nan 0.000 0.547 62 T N 1.308 115.812 114.554 -0.084 0.000 2.777 62 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 62 T C 2.438 177.065 174.700 -0.122 0.000 1.040 62 T CA 0.833 62.869 62.100 -0.106 0.000 1.141 62 T CB -0.189 68.632 68.868 -0.079 0.000 0.868 62 T HN 0.148 nan 8.240 nan 0.000 0.444 63 L N 0.689 121.857 121.223 -0.092 0.000 2.046 63 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 63 L C 2.808 179.609 176.870 -0.116 0.000 1.077 63 L CA 1.435 56.223 54.840 -0.087 0.000 0.747 63 L CB -0.473 41.551 42.059 -0.058 0.000 0.896 63 L HN 0.327 nan 8.230 nan 0.000 0.432 64 E N -0.326 119.804 120.200 -0.117 0.000 2.077 64 E HA -0.204 4.145 4.350 -0.000 0.000 0.193 64 E C 1.991 178.464 176.600 -0.212 0.000 0.989 64 E CA 1.814 58.136 56.400 -0.130 0.000 0.800 64 E CB 0.114 29.753 29.700 -0.102 0.000 0.746 64 E HN 0.422 nan 8.360 nan 0.000 0.452 65 T N 1.217 115.596 114.554 -0.292 0.000 2.777 65 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 65 T C 1.920 176.149 174.700 -0.785 0.000 1.040 65 T CA 1.099 62.865 62.100 -0.556 0.000 1.141 65 T CB -0.155 68.373 68.868 -0.566 0.000 0.868 65 T HN 0.175 nan 8.240 nan 0.000 0.444 66 I N 1.106 121.397 120.570 -0.465 0.000 2.208 66 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 66 I C 2.660 178.673 176.117 -0.174 0.000 1.097 66 I CA 1.426 62.563 61.300 -0.272 0.000 1.363 66 I CB -0.406 37.528 38.000 -0.111 0.000 1.051 66 I HN 0.339 nan 8.210 nan 0.000 0.413 67 E N 0.678 120.780 120.200 -0.164 0.000 2.110 67 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 67 E C 2.344 178.888 176.600 -0.093 0.000 0.988 67 E CA 1.141 57.477 56.400 -0.107 0.000 0.804 67 E CB -0.124 29.519 29.700 -0.094 0.000 0.745 67 E HN 0.508 nan 8.360 nan 0.000 0.458 68 L N 0.072 121.206 121.223 -0.150 0.000 2.046 68 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 68 L C 2.397 179.309 176.870 0.070 0.000 1.077 68 L CA 0.862 55.654 54.840 -0.079 0.000 0.747 68 L CB -0.417 41.558 42.059 -0.140 0.000 0.896 68 L HN 0.094 nan 8.230 nan 0.000 0.432 69 F N 0.552 120.465 119.950 -0.061 0.000 2.102 69 F HA -0.095 4.431 4.527 -0.000 0.000 0.298 69 F C 2.573 178.324 175.800 -0.082 0.000 1.105 69 F CA 0.962 58.917 58.000 -0.075 0.000 1.239 69 F CB -1.786 37.161 39.000 -0.088 0.000 0.991 69 F HN 0.026 nan 8.300 nan 0.000 0.474 70 G N -0.442 108.427 108.800 0.115 0.000 2.476 70 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.218 70 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.218 70 G C 1.572 176.461 174.900 -0.019 0.000 1.164 70 G CA 0.676 45.781 45.100 0.010 0.000 0.768 70 G HN 0.253 nan 8.290 nan 0.000 0.560 71 Q N 0.225 120.016 119.800 -0.014 0.000 2.297 71 Q HA 0.138 4.478 4.340 -0.000 0.000 0.204 71 Q C 2.746 178.740 176.000 -0.010 0.000 0.962 71 Q CA 1.088 56.877 55.803 -0.024 0.000 0.879 71 Q CB -0.357 28.366 28.738 -0.025 0.000 0.947 71 Q HN 0.499 nan 8.270 nan 0.000 0.462 72 A N 0.894 123.723 122.820 0.015 0.000 2.072 72 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 72 A C 1.832 179.403 177.584 -0.021 0.000 1.156 72 A CA 0.562 52.604 52.037 0.008 0.000 0.701 72 A CB -0.336 18.687 19.000 0.039 0.000 0.816 72 A HN 0.441 nan 8.150 nan 0.000 0.458 73 I N -3.523 117.028 120.570 -0.031 0.000 3.956 73 I HA 0.371 4.540 4.170 -0.000 0.000 0.333 73 I C -0.040 176.045 176.117 -0.054 0.000 1.302 73 I CA -0.443 60.822 61.300 -0.057 0.000 1.122 73 I CB -0.022 37.927 38.000 -0.085 0.000 1.013 73 I HN -0.048 nan 8.210 nan 0.000 0.405 74 I N 3.444 123.987 120.570 -0.045 0.000 2.775 74 I HA 0.094 4.264 4.170 -0.000 0.000 0.290 74 I C 1.529 177.624 176.117 -0.037 0.000 1.203 74 I CA 1.570 62.843 61.300 -0.045 0.000 1.433 74 I CB 0.462 38.435 38.000 -0.044 0.000 1.354 74 I HN 0.588 nan 8.210 nan 0.000 0.579 75 G N 5.179 113.958 108.800 -0.035 0.000 2.195 75 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 75 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 75 G C 0.124 175.008 174.900 -0.027 0.000 0.984 75 G CA -0.408 44.676 45.100 -0.026 0.000 0.633 75 G HN 0.451 nan 8.290 nan 0.000 0.525 76 L N 0.486 121.687 121.223 -0.037 0.000 2.399 76 L HA 0.473 4.813 4.340 -0.000 0.000 0.265 76 L C 0.534 177.382 176.870 -0.035 0.000 1.089 76 L CA -1.070 53.747 54.840 -0.039 0.000 0.802 76 L CB 0.883 42.907 42.059 -0.059 0.000 1.180 76 L HN 0.152 nan 8.230 nan 0.000 0.454 77 N N 1.512 120.200 118.700 -0.019 0.000 2.444 77 N HA 0.189 4.929 4.740 -0.000 0.000 0.271 77 N C -2.020 173.467 175.510 -0.038 0.000 1.069 77 N CA -1.861 51.194 53.050 0.008 0.000 0.965 77 N CB 1.840 40.366 38.487 0.065 0.000 1.092 77 N HN 0.208 nan 8.380 nan 0.000 0.476 78 P HA -0.057 nan 4.420 nan 0.000 0.218 78 P C 0.748 177.855 177.300 -0.322 0.000 1.146 78 P CA 1.115 64.066 63.100 -0.248 0.000 0.813 78 P CB 0.042 31.544 31.700 -0.331 0.000 0.778 79 F N -1.298 118.581 119.950 -0.118 0.000 2.407 79 F HA -0.029 4.498 4.527 -0.000 0.000 0.299 79 F C 1.423 177.155 175.800 -0.113 0.000 1.097 79 F CA 0.769 58.698 58.000 -0.118 0.000 1.422 79 F CB -0.860 38.097 39.000 -0.072 0.000 1.067 79 F HN -0.120 nan 8.300 nan 0.000 0.539 80 N N 1.352 120.081 118.700 0.049 0.000 3.254 80 N HA -0.038 4.702 4.740 -0.000 0.000 0.308 80 N C 1.322 176.785 175.510 -0.079 0.000 1.281 80 N CA 0.113 53.162 53.050 -0.002 0.000 1.212 80 N CB -0.487 37.995 38.487 -0.010 0.000 1.478 80 N HN 0.180 nan 8.380 nan 0.000 0.548 81 I N 0.481 120.984 120.570 -0.112 0.000 2.614 81 I HA -0.132 4.038 4.170 -0.000 0.000 0.258 81 I C 1.796 177.786 176.117 -0.210 0.000 1.189 81 I CA 1.212 62.400 61.300 -0.186 0.000 1.462 81 I CB 0.167 38.026 38.000 -0.234 0.000 1.092 81 I HN 0.268 nan 8.210 nan 0.000 0.442 82 E N 0.559 120.677 120.200 -0.136 0.000 2.047 82 E HA -0.277 4.072 4.350 -0.000 0.000 0.191 82 E C 2.122 178.672 176.600 -0.083 0.000 0.987 82 E CA 1.251 57.585 56.400 -0.109 0.000 0.799 82 E CB -0.283 29.419 29.700 0.002 0.000 0.752 82 E HN 0.530 nan 8.360 nan 0.000 0.449 83 K N 0.760 121.118 120.400 -0.071 0.000 2.155 83 K HA -0.038 4.282 4.320 -0.000 0.000 0.203 83 K C 2.265 178.798 176.600 -0.112 0.000 1.052 83 K CA 0.474 56.720 56.287 -0.069 0.000 0.948 83 K CB -0.034 32.434 32.500 -0.054 0.000 0.728 83 K HN 0.010 nan 8.250 nan 0.000 0.448 84 I N 0.722 121.200 120.570 -0.154 0.000 2.163 84 I HA -0.318 3.851 4.170 -0.000 0.000 0.243 84 I C 2.337 178.256 176.117 -0.329 0.000 1.085 84 I CA 1.264 62.420 61.300 -0.240 0.000 1.347 84 I CB -0.388 37.450 38.000 -0.271 0.000 1.044 84 I HN 0.344 nan 8.210 nan 0.000 0.408 85 H N 0.076 118.986 119.070 -0.266 0.000 2.389 85 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 85 H C 2.108 177.325 175.328 -0.185 0.000 1.081 85 H CA 1.490 57.390 56.048 -0.247 0.000 1.345 85 H CB 0.008 29.615 29.762 -0.258 0.000 1.393 85 H HN 0.451 nan 8.280 nan 0.000 0.520 86 E N 0.844 121.019 120.200 -0.043 0.000 2.085 86 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 86 E C 2.270 178.824 176.600 -0.076 0.000 0.994 86 E CA 1.179 57.557 56.400 -0.036 0.000 0.801 86 E CB 0.173 29.856 29.700 -0.028 0.000 0.743 86 E HN 0.097 nan 8.360 nan 0.000 0.453 87 V N 1.115 120.954 119.914 -0.125 0.000 2.295 87 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 87 V C 2.483 178.455 176.094 -0.203 0.000 1.049 87 V CA 2.025 64.245 62.300 -0.135 0.000 1.024 87 V CB -0.412 31.325 31.823 -0.144 0.000 0.648 87 V HN 0.392 nan 8.190 nan 0.000 0.447 88 M N -0.530 118.823 119.600 -0.412 0.000 2.175 88 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 88 M C 1.866 177.989 176.300 -0.296 0.000 1.063 88 M CA 1.597 56.438 55.300 -0.766 0.000 1.119 88 M CB -0.620 31.205 32.600 -1.291 0.000 1.377 88 M HN 0.305 nan 8.290 nan 0.000 0.415 89 D N 0.348 120.660 120.400 -0.147 0.000 2.219 89 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 89 D C 2.010 178.328 176.300 0.030 0.000 0.970 89 D CA 0.920 54.916 54.000 -0.006 0.000 0.851 89 D CB -0.170 40.647 40.800 0.028 0.000 0.943 89 D HN 0.098 nan 8.370 nan 0.000 0.488 90 K N 0.658 121.062 120.400 0.007 0.000 2.103 90 K HA 0.040 4.360 4.320 -0.000 0.000 0.204 90 K C 2.189 178.827 176.600 0.063 0.000 1.052 90 K CA 0.257 56.562 56.287 0.030 0.000 0.945 90 K CB -0.262 32.245 32.500 0.012 0.000 0.722 90 K HN 0.219 nan 8.250 nan 0.000 0.443 91 I N -0.005 120.620 120.570 0.091 0.000 2.202 91 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 91 I C 1.095 177.326 176.117 0.190 0.000 1.091 91 I CA 0.663 62.063 61.300 0.167 0.000 1.368 91 I CB 0.002 38.187 38.000 0.309 0.000 1.058 91 I HN -0.041 nan 8.210 nan 0.000 0.410 92 S N -0.488 115.360 115.700 0.247 0.000 2.532 92 S HA 0.600 5.070 4.470 -0.000 0.000 0.299 92 S C 0.477 175.189 174.600 0.186 0.000 1.105 92 S CA -0.382 57.948 58.200 0.216 0.000 1.018 92 S CB 1.821 65.188 63.200 0.280 0.000 1.021 92 S HN 0.209 nan 8.310 nan 0.000 0.483 93 A N 3.725 126.648 122.820 0.172 0.000 2.119 93 A HA 0.359 4.679 4.320 -0.000 0.000 0.217 93 A C 0.235 178.000 177.584 0.302 0.000 1.153 93 A CA 0.598 52.747 52.037 0.186 0.000 0.692 93 A CB -0.225 18.862 19.000 0.145 0.000 0.799 93 A HN 0.974 nan 8.150 nan 0.000 0.458 94 F N -1.781 118.233 119.950 0.106 0.000 2.881 94 F HA 0.506 5.033 4.527 -0.000 0.000 0.348 94 F C -0.603 175.271 175.800 0.123 0.000 1.240 94 F CA -0.303 57.767 58.000 0.116 0.000 1.130 94 F CB 1.072 40.130 39.000 0.096 0.000 1.417 94 F HN 0.147 nan 8.300 nan 0.000 0.585 95 A N 7.345 129.897 122.820 -0.448 0.000 3.134 95 A HA 0.359 4.679 4.320 -0.000 0.000 0.237 95 A C -2.520 174.910 177.584 -0.257 0.000 1.233 95 A CA -0.504 51.328 52.037 -0.342 0.000 1.112 95 A CB -0.223 18.742 19.000 -0.059 0.000 1.365 95 A HN 0.377 nan 8.150 nan 0.000 0.796 96 P HA -0.211 nan 4.420 nan 0.000 0.216 96 P C 1.623 178.863 177.300 -0.099 0.000 1.150 96 P CA 2.019 65.003 63.100 -0.194 0.000 0.837 96 P CB 0.220 31.790 31.700 -0.218 0.000 0.786 97 A N 0.724 123.467 122.820 -0.128 0.000 1.877 97 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 97 A C 2.556 180.127 177.584 -0.021 0.000 1.186 97 A CA 2.321 54.314 52.037 -0.073 0.000 0.620 97 A CB -1.565 17.383 19.000 -0.087 0.000 0.822 97 A HN 0.240 nan 8.150 nan 0.000 0.443 98 A N -0.226 122.587 122.820 -0.011 0.000 1.898 98 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 98 A C 2.113 179.835 177.584 0.230 0.000 1.181 98 A CA 1.786 53.855 52.037 0.053 0.000 0.620 98 A CB -0.417 18.534 19.000 -0.081 0.000 0.819 98 A HN 0.548 nan 8.150 nan 0.000 0.442 99 K N -0.259 120.292 120.400 0.251 0.000 2.097 99 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 99 K C 2.276 178.910 176.600 0.056 0.000 1.050 99 K CA 1.016 57.374 56.287 0.118 0.000 0.938 99 K CB -0.303 32.230 32.500 0.055 0.000 0.718 99 K HN 0.428 nan 8.250 nan 0.000 0.442 100 A N 1.667 124.530 122.820 0.071 0.000 1.933 100 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 100 A C 2.388 180.008 177.584 0.060 0.000 1.175 100 A CA 1.779 53.858 52.037 0.071 0.000 0.628 100 A CB -0.662 18.358 19.000 0.034 0.000 0.814 100 A HN 0.323 nan 8.150 nan 0.000 0.444 101 A N 0.065 122.915 122.820 0.050 0.000 1.883 101 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 101 A C 2.035 179.644 177.584 0.040 0.000 1.186 101 A CA 1.727 53.790 52.037 0.044 0.000 0.624 101 A CB -0.482 18.539 19.000 0.036 0.000 0.822 101 A HN 0.403 nan 8.150 nan 0.000 0.444 102 I N 0.460 121.052 120.570 0.038 0.000 2.202 102 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 102 I C 2.346 178.439 176.117 -0.040 0.000 1.091 102 I CA 1.784 63.075 61.300 -0.014 0.000 1.368 102 I CB -1.384 36.585 38.000 -0.052 0.000 1.058 102 I HN 0.492 nan 8.210 nan 0.000 0.410 103 D N 1.398 121.781 120.400 -0.027 0.000 2.106 103 D HA -0.224 4.416 4.640 -0.000 0.000 0.191 103 D C 2.281 178.708 176.300 0.213 0.000 0.997 103 D CA 1.641 55.698 54.000 0.095 0.000 0.834 103 D CB -0.041 40.913 40.800 0.257 0.000 0.956 103 D HN 0.335 nan 8.370 nan 0.000 0.448 104 I N 1.125 121.793 120.570 0.163 0.000 2.226 104 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 104 I C 2.747 178.936 176.117 0.119 0.000 1.100 104 I CA 1.175 62.569 61.300 0.157 0.000 1.374 104 I CB -0.306 37.747 38.000 0.089 0.000 1.057 104 I HN 0.025 nan 8.210 nan 0.000 0.413 105 A N -0.392 122.463 122.820 0.059 0.000 1.969 105 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 105 A C 2.405 179.969 177.584 -0.034 0.000 1.169 105 A CA 1.532 53.580 52.037 0.017 0.000 0.635 105 A CB -1.057 17.932 19.000 -0.019 0.000 0.810 105 A HN 0.542 nan 8.150 nan 0.000 0.445 106 C N -2.303 116.957 119.300 -0.066 0.000 2.457 106 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 106 C C 2.425 177.259 174.990 -0.261 0.000 1.309 106 C CA 0.794 59.693 59.018 -0.198 0.000 1.735 106 C CB -1.572 26.009 27.740 -0.266 0.000 1.992 106 C HN 0.726 nan 8.230 nan 0.000 0.493 107 Y N 0.807 121.043 120.300 -0.106 0.000 2.293 107 Y HA -0.153 4.397 4.550 -0.000 0.000 0.291 107 Y C 2.296 178.121 175.900 -0.125 0.000 1.137 107 Y CA 1.822 59.857 58.100 -0.108 0.000 1.202 107 Y CB -0.343 38.092 38.460 -0.043 0.000 0.990 107 Y HN 0.313 nan 8.280 nan 0.000 0.537 108 D N 0.239 120.666 120.400 0.044 0.000 2.097 108 D HA -0.169 4.470 4.640 -0.000 0.000 0.195 108 D C 2.030 178.302 176.300 -0.047 0.000 0.989 108 D CA 1.314 55.315 54.000 0.002 0.000 0.827 108 D CB -0.268 40.562 40.800 0.051 0.000 0.966 108 D HN 0.276 nan 8.370 nan 0.000 0.456 109 L N -0.307 120.856 121.223 -0.099 0.000 2.046 109 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 109 L C 2.774 179.493 176.870 -0.250 0.000 1.077 109 L CA 0.868 55.618 54.840 -0.151 0.000 0.747 109 L CB -0.354 41.593 42.059 -0.186 0.000 0.896 109 L HN 0.148 nan 8.230 nan 0.000 0.432 110 M N -0.753 118.597 119.600 -0.417 0.000 2.086 110 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 110 M C 2.335 178.571 176.300 -0.106 0.000 1.067 110 M CA 1.996 56.919 55.300 -0.627 0.000 1.116 110 M CB -0.941 31.275 32.600 -0.640 0.000 1.348 110 M HN 0.371 nan 8.290 nan 0.000 0.407 111 G N -0.323 108.446 108.800 -0.052 0.000 2.421 111 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 111 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 111 G C 1.398 176.303 174.900 0.008 0.000 1.171 111 G CA 0.521 45.619 45.100 -0.002 0.000 0.775 111 G HN 0.488 nan 8.290 nan 0.000 0.543 112 Q N -0.230 119.565 119.800 -0.008 0.000 2.124 112 Q HA -0.092 4.247 4.340 -0.000 0.000 0.202 112 Q C 2.494 178.518 176.000 0.039 0.000 0.977 112 Q CA 1.470 57.279 55.803 0.011 0.000 0.850 112 Q CB -0.106 28.637 28.738 0.008 0.000 0.901 112 Q HN 0.367 nan 8.270 nan 0.000 0.429 113 K N 0.991 121.427 120.400 0.060 0.000 2.057 113 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 113 K C 1.694 178.385 176.600 0.151 0.000 1.050 113 K CA 1.434 57.799 56.287 0.131 0.000 0.935 113 K CB -0.335 32.312 32.500 0.246 0.000 0.715 113 K HN 0.148 nan 8.250 nan 0.000 0.439 114 A N 0.180 123.114 122.820 0.189 0.000 2.167 114 A HA -0.013 4.307 4.320 -0.000 0.000 0.214 114 A C 0.016 177.637 177.584 0.063 0.000 1.151 114 A CA 0.880 52.996 52.037 0.132 0.000 0.735 114 A CB -0.325 18.774 19.000 0.165 0.000 0.802 114 A HN 0.512 nan 8.150 nan 0.000 0.467 115 Q N -1.677 118.153 119.800 0.050 0.000 2.470 115 Q HA -0.156 4.184 4.340 -0.000 0.000 0.294 115 Q C -1.239 174.765 176.000 0.006 0.000 1.356 115 Q CA 0.674 56.492 55.803 0.025 0.000 0.805 115 Q CB -1.865 26.887 28.738 0.023 0.000 1.157 115 Q HN 0.652 nan 8.270 nan 0.000 0.431 116 L N -1.088 120.131 121.223 -0.006 0.000 2.434 116 L HA 0.631 4.970 4.340 -0.000 0.000 0.260 116 L C -2.421 174.395 176.870 -0.091 0.000 0.983 116 L CA -2.407 52.402 54.840 -0.052 0.000 0.820 116 L CB 2.065 44.094 42.059 -0.050 0.000 1.361 116 L HN -0.177 nan 8.230 nan 0.000 0.410 117 P HA 0.051 nan 4.420 nan 0.000 0.271 117 P C 0.413 177.581 177.300 -0.220 0.000 1.218 117 P CA -0.420 62.584 63.100 -0.160 0.000 0.780 117 P CB 0.760 32.304 31.700 -0.259 0.000 0.901 118 L N 4.539 125.664 121.223 -0.163 0.000 2.043 118 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 118 L C 2.083 179.002 176.870 0.082 0.000 1.075 118 L CA 1.988 56.762 54.840 -0.111 0.000 0.752 118 L CB -1.794 40.054 42.059 -0.352 0.000 0.891 118 L HN 0.480 nan 8.230 nan 0.000 0.432 119 Y N -1.538 119.011 120.300 0.416 0.000 2.298 119 Y HA -0.202 4.348 4.550 -0.000 0.000 0.287 119 Y C 2.114 178.097 175.900 0.138 0.000 1.164 119 Y CA 1.287 59.528 58.100 0.235 0.000 1.229 119 Y CB -1.278 37.269 38.460 0.146 0.000 0.977 119 Y HN 0.275 nan 8.280 nan 0.000 0.538 120 Q N 0.773 120.382 119.800 -0.317 0.000 2.297 120 Q HA 0.033 4.373 4.340 -0.000 0.000 0.204 120 Q C 2.090 178.094 176.000 0.007 0.000 0.962 120 Q CA 1.111 56.831 55.803 -0.139 0.000 0.879 120 Q CB -0.094 28.484 28.738 -0.267 0.000 0.947 120 Q HN 0.642 nan 8.270 nan 0.000 0.462 121 L N -0.326 120.915 121.223 0.029 0.000 2.509 121 L HA 0.064 4.404 4.340 -0.000 0.000 0.222 121 L C 1.638 178.579 176.870 0.118 0.000 1.123 121 L CA 0.191 55.088 54.840 0.095 0.000 0.856 121 L CB 0.069 42.212 42.059 0.140 0.000 0.985 121 L HN 0.084 nan 8.230 nan 0.000 0.456 122 L N -0.995 120.292 121.223 0.106 0.000 2.640 122 L HA 0.338 4.678 4.340 -0.000 0.000 0.230 122 L C 1.323 178.248 176.870 0.091 0.000 1.123 122 L CA 0.610 55.501 54.840 0.085 0.000 0.900 122 L CB 0.290 42.383 42.059 0.056 0.000 1.146 122 L HN 0.376 nan 8.230 nan 0.000 0.484 123 G N -1.324 107.546 108.800 0.116 0.000 3.110 123 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.205 123 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.205 123 G C 0.954 175.958 174.900 0.172 0.000 1.019 123 G CA -0.137 45.034 45.100 0.119 0.000 0.826 123 G HN 0.256 nan 8.290 nan 0.000 0.481 124 G N -0.272 108.663 108.800 0.225 0.000 2.212 124 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.267 124 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.267 124 G C 0.970 176.019 174.900 0.250 0.000 1.002 124 G CA 1.427 46.695 45.100 0.280 0.000 0.729 124 G HN 1.346 nan 8.290 nan 0.000 0.517 125 Y N 0.610 120.960 120.300 0.084 0.000 2.165 125 Y HA 0.156 4.706 4.550 -0.000 0.000 0.286 125 Y C 1.385 177.285 175.900 -0.000 0.000 1.155 125 Y CA 2.031 60.152 58.100 0.035 0.000 1.164 125 Y CB 0.352 38.822 38.460 0.018 0.000 0.978 125 Y HN 0.363 nan 8.280 nan 0.000 0.513 126 D N -2.216 118.183 120.400 -0.001 0.000 2.596 126 D HA 0.137 4.776 4.640 -0.000 0.000 0.262 126 D C -0.898 175.182 176.300 -0.367 0.000 1.210 126 D CA -0.330 53.564 54.000 -0.176 0.000 0.873 126 D CB 0.978 41.701 40.800 -0.129 0.000 1.408 126 D HN 0.182 nan 8.370 nan 0.000 0.441 127 N N 0.146 118.554 118.700 -0.488 0.000 2.291 127 N HA 0.088 4.828 4.740 -0.000 0.000 0.244 127 N C -0.619 174.574 175.510 -0.529 0.000 1.216 127 N CA -0.213 52.299 53.050 -0.897 0.000 0.879 127 N CB 0.446 38.498 38.487 -0.726 0.000 1.167 127 N HN 0.535 nan 8.380 nan 0.000 0.515 128 Q N -1.965 117.631 119.800 -0.340 0.000 2.633 128 Q HA 0.643 4.983 4.340 -0.000 0.000 0.289 128 Q C -2.025 173.889 176.000 -0.144 0.000 0.940 128 Q CA -1.135 54.538 55.803 -0.218 0.000 0.785 128 Q CB 1.890 30.531 28.738 -0.162 0.000 1.467 128 Q HN -0.090 nan 8.270 nan 0.000 0.401 129 V N 1.249 121.104 119.914 -0.097 0.000 2.932 129 V HA 0.623 4.743 4.120 -0.000 0.000 0.307 129 V C -1.745 174.336 176.094 -0.020 0.000 1.147 129 V CA -0.758 61.513 62.300 -0.049 0.000 0.951 129 V CB 2.142 33.942 31.823 -0.039 0.000 1.031 129 V HN 0.831 nan 8.190 nan 0.000 0.426 130 I N 4.937 125.506 120.570 -0.001 0.000 2.336 130 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 130 I C 0.215 176.372 176.117 0.066 0.000 0.991 130 I CA -0.171 61.139 61.300 0.016 0.000 1.227 130 I CB 1.799 39.800 38.000 0.002 0.000 1.366 130 I HN 0.714 nan 8.210 nan 0.000 0.466 131 T N 3.672 118.303 114.554 0.129 0.000 2.918 131 T HA 0.358 4.708 4.350 -0.000 0.000 0.286 131 T C -0.384 174.509 174.700 0.322 0.000 1.026 131 T CA -0.715 61.505 62.100 0.200 0.000 1.031 131 T CB 1.267 70.275 68.868 0.234 0.000 1.046 131 T HN 0.699 nan 8.240 nan 0.000 0.479 132 D N 2.124 122.674 120.400 0.250 0.000 2.440 132 D HA 0.460 5.100 4.640 -0.000 0.000 0.269 132 D C -0.283 176.140 176.300 0.205 0.000 1.249 132 D CA -0.499 53.649 54.000 0.247 0.000 1.055 132 D CB 0.443 41.315 40.800 0.120 0.000 1.104 132 D HN 0.578 nan 8.370 nan 0.000 0.561 133 I N -1.447 119.092 120.570 -0.052 0.000 2.607 133 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 133 I C -1.035 175.000 176.117 -0.138 0.000 1.129 133 I CA -0.410 60.754 61.300 -0.227 0.000 1.042 133 I CB 1.968 39.410 38.000 -0.929 0.000 1.242 133 I HN 0.352 nan 8.210 nan 0.000 0.421 134 T N 7.227 121.735 114.554 -0.078 0.000 2.899 134 T HA 0.541 4.890 4.350 -0.000 0.000 0.284 134 T C -0.399 174.318 174.700 0.028 0.000 1.004 134 T CA -0.371 61.728 62.100 -0.002 0.000 1.043 134 T CB 0.940 69.839 68.868 0.053 0.000 1.013 134 T HN 0.342 nan 8.240 nan 0.000 0.518 135 L N 1.847 123.130 121.223 0.100 0.000 2.372 135 L HA 0.518 4.858 4.340 -0.000 0.000 0.274 135 L C 0.919 177.902 176.870 0.188 0.000 0.988 135 L CA -1.054 53.852 54.840 0.111 0.000 0.833 135 L CB 1.469 43.550 42.059 0.036 0.000 1.236 135 L HN 0.761 nan 8.230 nan 0.000 0.410 136 G N 3.212 112.185 108.800 0.288 0.000 2.527 136 G HA2 0.399 4.359 3.960 -0.000 0.000 0.248 136 G HA3 0.399 4.359 3.960 -0.000 0.000 0.248 136 G C 0.155 175.025 174.900 -0.049 0.000 1.231 136 G CA -0.594 44.545 45.100 0.065 0.000 0.838 136 G HN 0.510 nan 8.290 nan 0.000 0.570 137 I N 1.365 121.843 120.570 -0.152 0.000 2.919 137 I HA -0.002 4.168 4.170 -0.000 0.000 0.303 137 I C 0.509 176.585 176.117 -0.070 0.000 1.221 137 I CA 0.996 62.233 61.300 -0.107 0.000 1.444 137 I CB 0.254 38.169 38.000 -0.143 0.000 1.331 137 I HN 0.462 nan 8.210 nan 0.000 0.572 138 D N 3.884 124.259 120.400 -0.042 0.000 2.992 138 D HA 0.158 4.798 4.640 -0.000 0.000 0.349 138 D C -1.123 175.164 176.300 -0.021 0.000 1.393 138 D CA -0.503 53.481 54.000 -0.027 0.000 0.887 138 D CB 1.183 41.976 40.800 -0.012 0.000 1.447 138 D HN 0.253 nan 8.370 nan 0.000 0.524 139 E N 0.814 121.005 120.200 -0.015 0.000 2.373 139 E HA 0.224 4.574 4.350 -0.000 0.000 0.267 139 E C -1.675 174.917 176.600 -0.014 0.000 1.032 139 E CA -1.372 55.020 56.400 -0.014 0.000 0.889 139 E CB 0.762 30.456 29.700 -0.010 0.000 0.984 139 E HN 0.153 nan 8.360 nan 0.000 0.425 140 P HA -0.191 nan 4.420 nan 0.000 0.216 140 P C 0.456 177.745 177.300 -0.019 0.000 1.154 140 P CA 1.536 64.622 63.100 -0.022 0.000 0.865 140 P CB 0.283 31.968 31.700 -0.026 0.000 0.789 141 N N -1.216 117.477 118.700 -0.013 0.000 2.188 141 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 141 N C 1.542 177.048 175.510 -0.008 0.000 1.018 141 N CA 0.929 53.974 53.050 -0.009 0.000 0.858 141 N CB -1.374 37.110 38.487 -0.006 0.000 0.989 141 N HN 0.002 nan 8.380 nan 0.000 0.426 142 V N 1.105 121.015 119.914 -0.007 0.000 2.270 142 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 142 V C 2.197 178.288 176.094 -0.005 0.000 1.043 142 V CA 1.594 63.891 62.300 -0.004 0.000 1.014 142 V CB -0.605 31.217 31.823 -0.003 0.000 0.645 142 V HN 0.282 nan 8.190 nan 0.000 0.447 143 M N 0.092 119.687 119.600 -0.008 0.000 2.149 143 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 143 M C 2.369 178.661 176.300 -0.013 0.000 1.064 143 M CA 2.083 57.378 55.300 -0.008 0.000 1.102 143 M CB -0.603 31.990 32.600 -0.012 0.000 1.369 143 M HN 0.414 nan 8.290 nan 0.000 0.408 144 A N -0.152 122.659 122.820 -0.016 0.000 1.902 144 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 144 A C 2.122 179.699 177.584 -0.012 0.000 1.181 144 A CA 1.290 53.317 52.037 -0.018 0.000 0.623 144 A CB -0.532 18.458 19.000 -0.018 0.000 0.818 144 A HN 0.448 nan 8.150 nan 0.000 0.443 145 Q N -0.052 119.744 119.800 -0.008 0.000 2.084 145 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 145 Q C 1.933 177.929 176.000 -0.006 0.000 0.978 145 Q CA 1.290 57.091 55.803 -0.005 0.000 0.844 145 Q CB -0.351 28.386 28.738 -0.002 0.000 0.898 145 Q HN 0.526 nan 8.270 nan 0.000 0.426 146 K N 0.715 121.110 120.400 -0.008 0.000 2.063 146 K HA -0.073 4.247 4.320 -0.000 0.000 0.208 146 K C 2.054 178.642 176.600 -0.020 0.000 1.048 146 K CA 1.107 57.387 56.287 -0.012 0.000 0.928 146 K CB -0.541 31.954 32.500 -0.009 0.000 0.713 146 K HN 0.175 nan 8.250 nan 0.000 0.442 147 A N 1.379 124.188 122.820 -0.018 0.000 1.859 147 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 147 A C 2.506 180.086 177.584 -0.006 0.000 1.198 147 A CA 2.369 54.395 52.037 -0.019 0.000 0.629 147 A CB -1.015 17.974 19.000 -0.019 0.000 0.830 147 A HN 0.072 nan 8.150 nan 0.000 0.446 148 V N 0.242 120.154 119.914 -0.003 0.000 2.453 148 V HA -0.338 3.782 4.120 -0.000 0.000 0.252 148 V C 2.336 178.437 176.094 0.011 0.000 1.068 148 V CA 2.422 64.726 62.300 0.006 0.000 1.070 148 V CB -1.128 30.698 31.823 0.004 0.000 0.664 148 V HN 0.639 nan 8.190 nan 0.000 0.461 149 E N 0.294 120.496 120.200 0.004 0.000 2.005 149 E HA -0.273 4.077 4.350 -0.000 0.000 0.198 149 E C 2.296 178.910 176.600 0.023 0.000 1.010 149 E CA 1.602 58.005 56.400 0.006 0.000 0.825 149 E CB -0.242 29.453 29.700 -0.008 0.000 0.769 149 E HN 0.457 nan 8.360 nan 0.000 0.456 150 K N 0.513 120.917 120.400 0.006 0.000 2.074 150 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 150 K C 2.057 178.771 176.600 0.191 0.000 1.048 150 K CA 0.809 57.127 56.287 0.051 0.000 0.926 150 K CB -0.630 31.773 32.500 -0.163 0.000 0.713 150 K HN -0.015 nan 8.250 nan 0.000 0.444 151 V N 1.315 121.292 119.914 0.105 0.000 2.287 151 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 151 V C 2.005 178.144 176.094 0.075 0.000 1.053 151 V CA 1.772 64.132 62.300 0.100 0.000 1.027 151 V CB -0.363 31.491 31.823 0.053 0.000 0.646 151 V HN 0.324 nan 8.190 nan 0.000 0.447 152 K N -0.445 119.987 120.400 0.053 0.000 2.209 152 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 152 K C 1.953 178.568 176.600 0.025 0.000 1.048 152 K CA 1.111 57.415 56.287 0.029 0.000 0.940 152 K CB -0.218 32.294 32.500 0.020 0.000 0.729 152 K HN 0.414 nan 8.250 nan 0.000 0.451 153 L N -0.987 120.276 121.223 0.067 0.000 2.313 153 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 153 L C 1.421 178.248 176.870 -0.072 0.000 1.119 153 L CA 0.934 55.799 54.840 0.041 0.000 0.809 153 L CB 0.030 42.196 42.059 0.178 0.000 0.933 153 L HN 0.483 nan 8.230 nan 0.000 0.449 154 G N -1.337 107.436 108.800 -0.045 0.000 2.227 154 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.168 154 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.168 154 G C 0.035 174.824 174.900 -0.186 0.000 1.006 154 G CA -0.762 44.250 45.100 -0.148 0.000 0.684 154 G HN 0.070 nan 8.290 nan 0.000 0.489 155 F N 2.602 122.523 119.950 -0.048 0.000 2.506 155 F HA 0.380 4.907 4.527 -0.000 0.000 0.371 155 F C 1.492 177.284 175.800 -0.013 0.000 1.078 155 F CA 0.418 58.400 58.000 -0.031 0.000 1.195 155 F CB 1.057 40.036 39.000 -0.034 0.000 1.099 155 F HN 0.225 nan 8.300 nan 0.000 0.548 156 D N -0.855 119.625 120.400 0.134 0.000 2.350 156 D HA 0.049 4.689 4.640 -0.000 0.000 0.213 156 D C 0.073 176.436 176.300 0.105 0.000 1.031 156 D CA 0.248 54.303 54.000 0.091 0.000 0.861 156 D CB 0.036 40.864 40.800 0.047 0.000 0.926 156 D HN 0.304 nan 8.370 nan 0.000 0.520 157 T N 0.202 114.847 114.554 0.152 0.000 2.886 157 T HA 0.591 4.940 4.350 -0.000 0.000 0.292 157 T C -0.773 173.992 174.700 0.107 0.000 1.012 157 T CA -0.741 61.429 62.100 0.116 0.000 0.982 157 T CB 1.865 70.799 68.868 0.110 0.000 1.018 157 T HN -0.003 nan 8.240 nan 0.000 0.451 158 L N 2.190 123.446 121.223 0.056 0.000 2.410 158 L HA 0.603 4.943 4.340 -0.000 0.000 0.270 158 L C -0.257 176.625 176.870 0.021 0.000 0.983 158 L CA -1.031 53.819 54.840 0.016 0.000 0.822 158 L CB 2.377 44.434 42.059 -0.003 0.000 1.285 158 L HN 0.427 nan 8.230 nan 0.000 0.409 159 K N 3.546 123.956 120.400 0.016 0.000 2.211 159 K HA 0.622 4.942 4.320 -0.000 0.000 0.275 159 K C -1.115 175.505 176.600 0.033 0.000 1.024 159 K CA -0.382 55.924 56.287 0.032 0.000 0.887 159 K CB 1.000 33.525 32.500 0.041 0.000 1.084 159 K HN 0.531 nan 8.250 nan 0.000 0.463 160 I N 5.168 125.756 120.570 0.029 0.000 2.355 160 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 160 I C -0.068 176.057 176.117 0.012 0.000 0.999 160 I CA -0.991 60.322 61.300 0.022 0.000 1.163 160 I CB 1.470 39.477 38.000 0.012 0.000 1.316 160 I HN 0.385 nan 8.210 nan 0.000 0.454 161 K N 5.985 126.387 120.400 0.003 0.000 2.218 161 K HA 0.615 4.935 4.320 -0.000 0.000 0.276 161 K C -0.362 176.203 176.600 -0.058 0.000 1.022 161 K CA -0.261 55.998 56.287 -0.047 0.000 0.946 161 K CB 2.039 34.484 32.500 -0.091 0.000 1.000 161 K HN 0.529 nan 8.250 nan 0.000 0.468 162 V N -2.916 116.943 119.914 -0.093 0.000 3.232 162 V HA 0.879 4.999 4.120 -0.000 0.000 0.303 162 V C 0.296 176.303 176.094 -0.145 0.000 1.311 162 V CA -0.309 61.959 62.300 -0.052 0.000 1.061 162 V CB 1.834 33.700 31.823 0.071 0.000 1.085 162 V HN 0.810 nan 8.190 nan 0.000 0.447 163 G N 0.063 108.829 108.800 -0.057 0.000 3.216 163 G HA2 0.005 3.964 3.960 -0.000 0.000 0.221 163 G HA3 0.005 3.964 3.960 -0.000 0.000 0.221 163 G C 0.461 175.350 174.900 -0.019 0.000 0.949 163 G CA 0.922 45.945 45.100 -0.127 0.000 0.952 163 G HN 1.720 nan 8.290 nan 0.000 0.657 164 T N -1.990 112.586 114.554 0.037 0.000 3.031 164 T HA 0.531 4.881 4.350 -0.000 0.000 0.254 164 T C 1.186 175.933 174.700 0.077 0.000 1.060 164 T CA 1.183 63.299 62.100 0.028 0.000 1.135 164 T CB 1.113 69.985 68.868 0.006 0.000 0.896 164 T HN 1.687 nan 8.240 nan 0.000 0.472 165 G N 0.948 109.833 108.800 0.142 0.000 2.476 165 G HA2 0.416 4.376 3.960 -0.000 0.000 0.309 165 G HA3 0.416 4.376 3.960 -0.000 0.000 0.309 165 G C 0.439 175.420 174.900 0.134 0.000 1.575 165 G CA -0.412 44.769 45.100 0.134 0.000 0.913 165 G HN 0.399 nan 8.290 nan 0.000 0.623 166 I N -0.371 120.231 120.570 0.054 0.000 2.290 166 I HA -0.261 3.909 4.170 -0.000 0.000 0.253 166 I C 1.907 177.974 176.117 -0.084 0.000 1.112 166 I CA 2.028 63.237 61.300 -0.152 0.000 1.377 166 I CB -0.323 37.460 38.000 -0.362 0.000 1.060 166 I HN 0.498 nan 8.210 nan 0.000 0.428 167 E N 2.541 122.716 120.200 -0.041 0.000 2.006 167 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 167 E C 2.477 179.067 176.600 -0.016 0.000 0.993 167 E CA 1.588 57.968 56.400 -0.033 0.000 0.808 167 E CB -0.671 29.016 29.700 -0.021 0.000 0.764 167 E HN 0.575 nan 8.360 nan 0.000 0.449 168 A N 1.583 124.406 122.820 0.005 0.000 1.940 168 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 168 A C 1.682 179.275 177.584 0.015 0.000 1.176 168 A CA 1.987 54.028 52.037 0.008 0.000 0.631 168 A CB -0.692 18.317 19.000 0.014 0.000 0.814 168 A HN 0.154 nan 8.150 nan 0.000 0.446 169 D N 0.161 120.594 120.400 0.056 0.000 2.097 169 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 169 D C 1.905 178.223 176.300 0.029 0.000 0.989 169 D CA 1.334 55.388 54.000 0.091 0.000 0.827 169 D CB -0.433 40.525 40.800 0.263 0.000 0.966 169 D HN 0.535 nan 8.370 nan 0.000 0.456 170 I N 1.519 122.080 120.570 -0.014 0.000 2.208 170 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 170 I C 2.559 178.601 176.117 -0.126 0.000 1.097 170 I CA 1.135 62.385 61.300 -0.084 0.000 1.363 170 I CB -0.268 37.676 38.000 -0.093 0.000 1.051 170 I HN -0.074 nan 8.210 nan 0.000 0.413 171 A N 0.809 123.580 122.820 -0.081 0.000 1.933 171 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 171 A C 2.396 179.928 177.584 -0.087 0.000 1.175 171 A CA 1.424 53.413 52.037 -0.081 0.000 0.628 171 A CB -0.536 18.438 19.000 -0.043 0.000 0.814 171 A HN 0.323 nan 8.150 nan 0.000 0.444 172 R N -0.613 119.850 120.500 -0.061 0.000 2.082 172 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 172 R C 2.108 178.359 176.300 -0.082 0.000 1.136 172 R CA 1.721 57.790 56.100 -0.052 0.000 0.935 172 R CB -0.835 29.452 30.300 -0.022 0.000 0.842 172 R HN 0.397 nan 8.270 nan 0.000 0.430 173 V N 1.758 121.609 119.914 -0.106 0.000 2.233 173 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 173 V C 2.245 178.192 176.094 -0.245 0.000 1.050 173 V CA 1.885 64.097 62.300 -0.146 0.000 1.010 173 V CB -0.571 31.163 31.823 -0.149 0.000 0.637 173 V HN 0.348 nan 8.190 nan 0.000 0.444 174 K N 0.349 120.495 120.400 -0.422 0.000 2.052 174 K HA -0.292 4.028 4.320 -0.000 0.000 0.215 174 K C 2.322 178.820 176.600 -0.170 0.000 1.053 174 K CA 1.875 57.856 56.287 -0.510 0.000 0.934 174 K CB -0.646 31.571 32.500 -0.472 0.000 0.717 174 K HN 0.498 nan 8.250 nan 0.000 0.450 175 A N 1.628 124.377 122.820 -0.117 0.000 1.873 175 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 175 A C 2.208 179.762 177.584 -0.051 0.000 1.193 175 A CA 1.747 53.750 52.037 -0.056 0.000 0.629 175 A CB -0.771 18.201 19.000 -0.045 0.000 0.826 175 A HN 0.238 nan 8.150 nan 0.000 0.447 176 I N -1.079 119.452 120.570 -0.066 0.000 2.163 176 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 176 I C 2.692 178.763 176.117 -0.077 0.000 1.085 176 I CA 1.900 63.164 61.300 -0.059 0.000 1.347 176 I CB -0.384 37.582 38.000 -0.056 0.000 1.044 176 I HN 0.333 nan 8.210 nan 0.000 0.408 177 R N 1.952 122.390 120.500 -0.102 0.000 2.082 177 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 177 R C 1.689 177.894 176.300 -0.158 0.000 1.136 177 R CA 1.767 57.766 56.100 -0.168 0.000 0.935 177 R CB -0.687 29.540 30.300 -0.122 0.000 0.842 177 R HN 0.354 nan 8.270 nan 0.000 0.430 178 E N -0.774 119.401 120.200 -0.040 0.000 2.482 178 E HA -0.001 4.349 4.350 -0.000 0.000 0.200 178 E C 0.606 177.208 176.600 0.002 0.000 1.147 178 E CA 0.450 56.861 56.400 0.019 0.000 0.912 178 E CB 0.163 29.915 29.700 0.086 0.000 0.938 178 E HN 0.520 nan 8.360 nan 0.000 0.519 179 A N -0.173 122.630 122.820 -0.029 0.000 2.066 179 A HA 0.063 4.383 4.320 -0.000 0.000 0.198 179 A C 1.860 179.433 177.584 -0.018 0.000 1.405 179 A CA 0.176 52.203 52.037 -0.016 0.000 0.973 179 A CB 0.445 19.434 19.000 -0.019 0.000 1.026 179 A HN 0.207 nan 8.150 nan 0.000 0.474 180 V N -4.090 115.801 119.914 -0.040 0.000 3.635 180 V HA 0.628 4.748 4.120 -0.000 0.000 0.266 180 V C 1.003 177.083 176.094 -0.024 0.000 1.316 180 V CA 0.722 63.007 62.300 -0.025 0.000 1.060 180 V CB -0.434 31.374 31.823 -0.025 0.000 0.820 180 V HN 1.637 nan 8.190 nan 0.000 0.447 181 G N 0.487 109.248 108.800 -0.065 0.000 2.342 181 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.220 181 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.220 181 G C -0.544 174.257 174.900 -0.165 0.000 1.243 181 G CA -0.039 45.049 45.100 -0.021 0.000 1.083 181 G HN 0.181 nan 8.290 nan 0.000 0.500 182 F N 0.244 120.216 119.950 0.038 0.000 2.798 182 F HA 0.321 4.848 4.527 -0.000 0.000 0.328 182 F C 1.676 177.497 175.800 0.034 0.000 1.098 182 F CA 0.261 58.284 58.000 0.038 0.000 1.172 182 F CB 1.007 40.024 39.000 0.028 0.000 1.072 182 F HN 0.285 nan 8.300 nan 0.000 0.555 183 D N 0.337 120.834 120.400 0.162 0.000 2.348 183 D HA 0.082 4.722 4.640 -0.000 0.000 0.211 183 D C 0.656 177.002 176.300 0.076 0.000 0.998 183 D CA 0.768 54.834 54.000 0.109 0.000 0.873 183 D CB 0.452 41.301 40.800 0.081 0.000 0.925 183 D HN -0.004 nan 8.370 nan 0.000 0.524 184 I N 1.368 121.971 120.570 0.055 0.000 2.342 184 I HA 0.145 4.315 4.170 -0.000 0.000 0.291 184 I C 0.770 176.911 176.117 0.040 0.000 1.010 184 I CA -0.665 60.660 61.300 0.040 0.000 1.308 184 I CB 0.860 38.871 38.000 0.019 0.000 1.400 184 I HN -0.312 nan 8.210 nan 0.000 0.488 185 K N 6.271 126.704 120.400 0.054 0.000 2.298 185 K HA 0.494 4.813 4.320 -0.000 0.000 0.280 185 K C -1.024 175.603 176.600 0.046 0.000 1.032 185 K CA -0.309 56.012 56.287 0.057 0.000 0.958 185 K CB 0.770 33.308 32.500 0.063 0.000 0.978 185 K HN 0.470 nan 8.250 nan 0.000 0.472 186 L N 5.721 126.971 121.223 0.044 0.000 2.372 186 L HA 0.459 4.799 4.340 -0.000 0.000 0.274 186 L C -0.376 176.523 176.870 0.049 0.000 0.988 186 L CA -0.891 53.970 54.840 0.036 0.000 0.833 186 L CB 1.602 43.671 42.059 0.016 0.000 1.236 186 L HN 0.631 nan 8.230 nan 0.000 0.410 187 R N 3.890 124.418 120.500 0.046 0.000 2.589 187 R HA 0.839 5.179 4.340 -0.000 0.000 0.293 187 R C -1.306 175.022 176.300 0.046 0.000 0.963 187 R CA -0.843 55.288 56.100 0.051 0.000 0.905 187 R CB 1.755 32.084 30.300 0.049 0.000 1.144 187 R HN 0.450 nan 8.270 nan 0.000 0.459 188 L N 1.367 122.622 121.223 0.054 0.000 2.334 188 L HA 0.479 4.819 4.340 -0.000 0.000 0.273 188 L C -0.665 176.214 176.870 0.015 0.000 1.013 188 L CA -1.028 53.840 54.840 0.047 0.000 0.816 188 L CB 1.903 44.017 42.059 0.092 0.000 1.278 188 L HN 0.677 nan 8.230 nan 0.000 0.431 189 D N 1.126 121.509 120.400 -0.028 0.000 2.575 189 D HA 0.440 5.080 4.640 -0.000 0.000 0.250 189 D C -0.196 175.991 176.300 -0.187 0.000 1.279 189 D CA -0.334 53.620 54.000 -0.078 0.000 0.925 189 D CB 2.285 43.067 40.800 -0.031 0.000 1.261 189 D HN 0.588 nan 8.370 nan 0.000 0.567 190 A N 3.516 126.128 122.820 -0.347 0.000 2.423 190 A HA 0.175 4.495 4.320 -0.000 0.000 0.246 190 A C 0.672 177.984 177.584 -0.452 0.000 1.278 190 A CA -0.332 51.341 52.037 -0.606 0.000 0.903 190 A CB -0.727 17.417 19.000 -1.427 0.000 0.997 190 A HN 0.737 nan 8.150 nan 0.000 0.510 191 N N 1.209 119.750 118.700 -0.265 0.000 2.722 191 N HA -0.264 4.476 4.740 -0.000 0.000 0.274 191 N C 0.015 175.410 175.510 -0.191 0.000 0.987 191 N CA 0.954 53.897 53.050 -0.178 0.000 0.817 191 N CB -1.113 37.281 38.487 -0.155 0.000 0.921 191 N HN 0.691 nan 8.380 nan 0.000 0.565 192 Q N -3.814 115.871 119.800 -0.192 0.000 2.452 192 Q HA -0.345 3.995 4.340 -0.000 0.000 0.248 192 Q C 1.164 177.055 176.000 -0.180 0.000 0.874 192 Q CA 0.897 56.614 55.803 -0.143 0.000 1.208 192 Q CB -1.650 27.047 28.738 -0.068 0.000 1.569 192 Q HN 0.724 nan 8.270 nan 0.000 0.579 193 A N -0.540 122.070 122.820 -0.350 0.000 2.119 193 A HA -0.047 4.272 4.320 -0.000 0.000 0.217 193 A C 0.332 177.854 177.584 -0.103 0.000 1.153 193 A CA 0.693 52.544 52.037 -0.310 0.000 0.692 193 A CB 0.039 18.773 19.000 -0.444 0.000 0.799 193 A HN 0.424 nan 8.150 nan 0.000 0.458 194 W N -0.226 121.073 121.300 -0.002 0.000 2.639 194 W HA 0.503 5.163 4.660 0.000 0.000 0.347 194 W C 0.458 176.981 176.519 0.006 0.000 1.067 194 W CA -0.723 56.624 57.345 0.003 0.000 1.218 194 W CB 0.171 29.639 29.460 0.013 0.000 1.393 194 W HN 0.120 nan 8.180 nan 0.000 0.557 195 T N -1.111 113.591 114.554 0.246 0.000 2.882 195 T HA 0.239 4.589 4.350 -0.000 0.000 0.287 195 T C -1.680 173.100 174.700 0.133 0.000 1.014 195 T CA -1.318 60.856 62.100 0.124 0.000 1.049 195 T CB 1.923 70.826 68.868 0.058 0.000 1.001 195 T HN 0.001 nan 8.240 nan 0.000 0.525 196 P HA -0.134 nan 4.420 nan 0.000 0.213 196 P C 1.461 178.852 177.300 0.152 0.000 1.176 196 P CA 1.596 64.755 63.100 0.098 0.000 0.919 196 P CB 0.054 31.679 31.700 -0.124 0.000 0.791 197 K N -1.108 119.309 120.400 0.028 0.000 2.147 197 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 197 K C 1.604 178.232 176.600 0.048 0.000 1.049 197 K CA 1.363 57.703 56.287 0.088 0.000 0.936 197 K CB -0.488 32.015 32.500 0.004 0.000 0.722 197 K HN 0.139 nan 8.250 nan 0.000 0.446 198 D N 0.410 120.816 120.400 0.009 0.000 2.194 198 D HA -0.046 4.594 4.640 -0.000 0.000 0.204 198 D C 1.732 177.914 176.300 -0.196 0.000 0.964 198 D CA 0.807 54.755 54.000 -0.087 0.000 0.846 198 D CB -0.001 40.755 40.800 -0.074 0.000 0.962 198 D HN 0.157 nan 8.370 nan 0.000 0.490 199 A N 0.475 123.284 122.820 -0.019 0.000 1.873 199 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 199 A C 2.463 180.022 177.584 -0.042 0.000 1.186 199 A CA 1.141 53.197 52.037 0.032 0.000 0.616 199 A CB -0.747 18.467 19.000 0.356 0.000 0.823 199 A HN 0.128 nan 8.150 nan 0.000 0.442 200 V N 0.428 120.371 119.914 0.048 0.000 2.287 200 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 200 V C 2.554 178.622 176.094 -0.043 0.000 1.053 200 V CA 2.473 64.790 62.300 0.028 0.000 1.027 200 V CB -0.716 31.157 31.823 0.084 0.000 0.646 200 V HN 0.711 nan 8.190 nan 0.000 0.447 201 K N 0.362 120.718 120.400 -0.073 0.000 2.032 201 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 201 K C 2.198 178.698 176.600 -0.166 0.000 1.048 201 K CA 1.713 57.939 56.287 -0.101 0.000 0.927 201 K CB -0.393 32.044 32.500 -0.105 0.000 0.712 201 K HN 0.413 nan 8.250 nan 0.000 0.441 202 A N 1.169 123.796 122.820 -0.321 0.000 1.933 202 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 202 A C 2.086 179.523 177.584 -0.245 0.000 1.175 202 A CA 1.521 53.299 52.037 -0.432 0.000 0.628 202 A CB -0.534 17.846 19.000 -1.033 0.000 0.814 202 A HN 0.370 nan 8.150 nan 0.000 0.444 203 I N -0.692 119.779 120.570 -0.165 0.000 2.193 203 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 203 I C 2.603 178.721 176.117 0.002 0.000 1.084 203 I CA 1.355 62.641 61.300 -0.024 0.000 1.365 203 I CB -0.541 37.479 38.000 0.033 0.000 1.064 203 I HN 0.407 nan 8.210 nan 0.000 0.410 204 Q N 0.715 120.506 119.800 -0.014 0.000 2.364 204 Q HA -0.150 4.190 4.340 -0.000 0.000 0.209 204 Q C 2.286 178.297 176.000 0.019 0.000 0.977 204 Q CA 1.302 57.107 55.803 0.003 0.000 0.885 204 Q CB -0.203 28.530 28.738 -0.009 0.000 0.941 204 Q HN 0.574 nan 8.270 nan 0.000 0.464 205 A N 0.333 123.157 122.820 0.006 0.000 1.968 205 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 205 A C 1.392 179.059 177.584 0.138 0.000 1.169 205 A CA 0.793 52.852 52.037 0.038 0.000 0.638 205 A CB 0.127 19.116 19.000 -0.018 0.000 0.812 205 A HN 0.219 nan 8.150 nan 0.000 0.446 206 L N -0.165 121.146 121.223 0.146 0.000 2.851 206 L HA 0.349 4.689 4.340 -0.000 0.000 0.237 206 L C 2.067 179.093 176.870 0.260 0.000 1.257 206 L CA 0.542 55.570 54.840 0.312 0.000 1.061 206 L CB -0.618 41.548 42.059 0.178 0.000 1.372 206 L HN 0.327 nan 8.230 nan 0.000 0.493 207 A N -0.389 122.520 122.820 0.149 0.000 1.865 207 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 207 A C 1.886 179.501 177.584 0.052 0.000 1.191 207 A CA 2.005 54.090 52.037 0.080 0.000 0.623 207 A CB -0.278 18.744 19.000 0.037 0.000 0.826 207 A HN 0.429 nan 8.150 nan 0.000 0.444 208 D N -1.786 118.596 120.400 -0.030 0.000 2.347 208 D HA -0.037 4.603 4.640 -0.000 0.000 0.215 208 D C 0.884 177.113 176.300 -0.119 0.000 0.976 208 D CA 0.688 54.606 54.000 -0.137 0.000 0.884 208 D CB -0.203 40.438 40.800 -0.265 0.000 0.915 208 D HN 0.629 nan 8.370 nan 0.000 0.526 209 Y N 0.727 121.125 120.300 0.163 0.000 2.578 209 Y HA 0.007 4.557 4.550 -0.000 0.000 0.297 209 Y C 0.745 176.776 175.900 0.219 0.000 1.176 209 Y CA 0.064 58.280 58.100 0.194 0.000 1.315 209 Y CB -0.255 38.252 38.460 0.079 0.000 1.031 209 Y HN -0.051 nan 8.280 nan 0.000 0.524 210 Q N 0.792 120.768 119.800 0.294 0.000 2.436 210 Q HA -0.219 4.121 4.340 -0.000 0.000 0.362 210 Q C -1.525 174.585 176.000 0.184 0.000 1.423 210 Q CA -0.161 55.787 55.803 0.241 0.000 1.014 210 Q CB -1.203 27.751 28.738 0.360 0.000 1.177 210 Q HN 0.358 nan 8.270 nan 0.000 0.324 211 I N 2.282 122.941 120.570 0.149 0.000 2.353 211 I HA 0.083 4.253 4.170 -0.000 0.000 0.293 211 I C 1.464 177.638 176.117 0.095 0.000 0.992 211 I CA 0.181 61.550 61.300 0.115 0.000 1.268 211 I CB 1.456 39.525 38.000 0.115 0.000 1.387 211 I HN 0.514 nan 8.210 nan 0.000 0.478 212 E N 6.190 126.439 120.200 0.082 0.000 2.077 212 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 212 E C -0.360 176.279 176.600 0.065 0.000 0.989 212 E CA 1.256 57.698 56.400 0.070 0.000 0.800 212 E CB 0.327 30.065 29.700 0.063 0.000 0.746 212 E HN 0.524 nan 8.360 nan 0.000 0.452 213 L N -3.731 117.533 121.223 0.068 0.000 2.947 213 L HA 0.435 4.775 4.340 -0.000 0.000 0.267 213 L C -1.383 175.532 176.870 0.076 0.000 1.004 213 L CA -1.095 53.786 54.840 0.067 0.000 0.937 213 L CB 1.577 43.669 42.059 0.055 0.000 1.496 213 L HN -0.312 nan 8.230 nan 0.000 0.409 214 V N 0.569 120.533 119.914 0.084 0.000 2.448 214 V HA 0.573 4.693 4.120 -0.000 0.000 0.295 214 V C -0.252 175.880 176.094 0.063 0.000 1.025 214 V CA -0.315 62.043 62.300 0.095 0.000 0.859 214 V CB 1.422 33.343 31.823 0.163 0.000 0.988 214 V HN 0.885 nan 8.190 nan 0.000 0.431 215 E N 3.183 123.400 120.200 0.029 0.000 2.197 215 E HA 0.347 4.696 4.350 -0.000 0.000 0.281 215 E C -0.184 176.402 176.600 -0.024 0.000 0.995 215 E CA -0.688 55.718 56.400 0.011 0.000 0.808 215 E CB 0.786 30.491 29.700 0.008 0.000 1.093 215 E HN 0.634 nan 8.360 nan 0.000 0.394 216 Q N 3.976 123.776 119.800 -0.000 0.000 2.391 216 Q HA -0.168 4.172 4.340 -0.000 0.000 0.366 216 Q C -2.001 173.954 176.000 -0.074 0.000 1.305 216 Q CA 0.629 56.424 55.803 -0.013 0.000 1.123 216 Q CB -0.062 28.671 28.738 -0.008 0.000 1.259 216 Q HN 0.475 nan 8.270 nan 0.000 0.307 217 P HA -0.056 nan 4.420 nan 0.000 0.222 217 P C 0.414 177.716 177.300 0.004 0.000 1.153 217 P CA 1.339 64.422 63.100 -0.028 0.000 0.798 217 P CB 0.197 32.040 31.700 0.239 0.000 0.796 218 V N -3.864 116.074 119.914 0.040 0.000 3.181 218 V HA 0.511 4.631 4.120 -0.000 0.000 0.314 218 V C 0.017 176.117 176.094 0.010 0.000 1.173 218 V CA -1.772 60.557 62.300 0.049 0.000 1.052 218 V CB 1.156 33.032 31.823 0.088 0.000 1.123 218 V HN -0.279 nan 8.190 nan 0.000 0.454 219 K N 1.206 121.612 120.400 0.011 0.000 2.484 219 K HA 0.088 4.407 4.320 -0.000 0.000 0.280 219 K C 1.634 178.237 176.600 0.005 0.000 1.013 219 K CA 0.515 56.803 56.287 0.000 0.000 1.029 219 K CB 0.658 33.157 32.500 -0.002 0.000 0.902 219 K HN 0.807 nan 8.250 nan 0.000 0.481 220 R N 2.647 123.149 120.500 0.004 0.000 2.154 220 R HA -0.198 4.142 4.340 -0.000 0.000 0.248 220 R C 0.969 177.256 176.300 -0.022 0.000 1.155 220 R CA 1.279 57.382 56.100 0.004 0.000 0.979 220 R CB -0.078 30.226 30.300 0.007 0.000 0.869 220 R HN 0.404 nan 8.270 nan 0.000 0.452 221 R N 0.630 121.112 120.500 -0.030 0.000 2.300 221 R HA 0.039 4.379 4.340 -0.000 0.000 0.199 221 R C -0.076 176.212 176.300 -0.020 0.000 0.920 221 R CA 0.338 56.414 56.100 -0.039 0.000 1.046 221 R CB -0.163 30.107 30.300 -0.051 0.000 0.984 221 R HN 0.244 nan 8.270 nan 0.000 0.493 222 D N 1.268 121.665 120.400 -0.005 0.000 2.563 222 D HA 0.085 4.725 4.640 -0.000 0.000 0.222 222 D C 1.159 177.471 176.300 0.020 0.000 1.145 222 D CA -0.032 53.972 54.000 0.006 0.000 1.001 222 D CB 0.005 40.812 40.800 0.011 0.000 1.049 222 D HN -0.006 nan 8.370 nan 0.000 0.515 223 L N 1.224 122.456 121.223 0.015 0.000 2.141 223 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 223 L C 2.053 178.948 176.870 0.042 0.000 1.094 223 L CA 0.835 55.691 54.840 0.026 0.000 0.763 223 L CB -0.134 41.934 42.059 0.016 0.000 0.908 223 L HN 0.349 nan 8.230 nan 0.000 0.437 224 E N 0.245 120.467 120.200 0.036 0.000 2.072 224 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 224 E C 2.250 178.900 176.600 0.085 0.000 0.985 224 E CA 1.119 57.549 56.400 0.051 0.000 0.801 224 E CB -0.285 29.432 29.700 0.028 0.000 0.750 224 E HN 0.543 nan 8.360 nan 0.000 0.452 225 G N 1.628 110.466 108.800 0.063 0.000 2.402 225 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 225 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 225 G C 1.577 176.572 174.900 0.159 0.000 1.162 225 G CA 0.445 45.598 45.100 0.088 0.000 0.777 225 G HN 0.118 nan 8.290 nan 0.000 0.539 226 L N 0.859 122.149 121.223 0.111 0.000 2.046 226 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 226 L C 2.628 179.565 176.870 0.113 0.000 1.077 226 L CA 2.413 57.318 54.840 0.108 0.000 0.747 226 L CB -0.549 41.554 42.059 0.073 0.000 0.896 226 L HN 0.256 nan 8.230 nan 0.000 0.432 227 K N -1.873 118.589 120.400 0.103 0.000 2.097 227 K HA -0.272 4.048 4.320 -0.000 0.000 0.206 227 K C 2.278 178.938 176.600 0.100 0.000 1.049 227 K CA 1.692 58.029 56.287 0.084 0.000 0.933 227 K CB -0.469 32.075 32.500 0.073 0.000 0.717 227 K HN 0.415 nan 8.250 nan 0.000 0.442 228 Y N 1.336 121.653 120.300 0.029 0.000 2.081 228 Y HA -0.317 4.233 4.550 -0.000 0.000 0.280 228 Y C 1.912 177.833 175.900 0.034 0.000 1.163 228 Y CA 1.929 60.046 58.100 0.028 0.000 1.135 228 Y CB -0.519 37.958 38.460 0.028 0.000 0.970 228 Y HN -0.154 nan 8.280 nan 0.000 0.498 229 V N -0.226 119.777 119.914 0.147 0.000 2.255 229 V HA -0.392 3.728 4.120 -0.000 0.000 0.247 229 V C 2.314 178.395 176.094 -0.022 0.000 1.051 229 V CA 2.596 64.935 62.300 0.064 0.000 1.018 229 V CB -1.342 30.579 31.823 0.164 0.000 0.641 229 V HN 0.530 nan 8.190 nan 0.000 0.445 230 T N 0.761 115.325 114.554 0.016 0.000 2.699 230 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 230 T C 1.835 176.512 174.700 -0.039 0.000 1.036 230 T CA 2.067 64.170 62.100 0.004 0.000 1.147 230 T CB -0.412 68.469 68.868 0.022 0.000 0.862 230 T HN 0.728 nan 8.240 nan 0.000 0.446 231 S N 0.291 115.945 115.700 -0.078 0.000 2.603 231 S HA 0.101 4.571 4.470 -0.000 0.000 0.220 231 S C 1.643 176.138 174.600 -0.175 0.000 0.967 231 S CA 0.048 58.185 58.200 -0.105 0.000 0.920 231 S CB -0.014 63.133 63.200 -0.088 0.000 0.773 231 S HN 0.281 nan 8.310 nan 0.000 0.529 232 Q N 0.687 120.351 119.800 -0.227 0.000 2.353 232 Q HA 0.312 4.652 4.340 -0.000 0.000 0.240 232 Q C 0.687 176.613 176.000 -0.123 0.000 0.868 232 Q CA 0.439 56.094 55.803 -0.247 0.000 0.944 232 Q CB 1.184 29.662 28.738 -0.434 0.000 1.104 232 Q HN 0.664 nan 8.270 nan 0.000 0.531 233 V N -1.370 118.497 119.914 -0.078 0.000 2.815 233 V HA 0.490 4.610 4.120 -0.000 0.000 0.314 233 V C 0.739 176.824 176.094 -0.016 0.000 1.064 233 V CA -0.868 61.413 62.300 -0.032 0.000 0.952 233 V CB 2.044 33.864 31.823 -0.004 0.000 1.020 233 V HN 0.003 nan 8.190 nan 0.000 0.439 234 N N 0.860 119.558 118.700 -0.003 0.000 2.416 234 N HA -0.022 4.717 4.740 -0.000 0.000 0.177 234 N C 0.661 176.181 175.510 0.017 0.000 1.036 234 N CA 0.559 53.611 53.050 0.004 0.000 0.901 234 N CB 0.182 38.672 38.487 0.004 0.000 0.976 234 N HN 0.875 nan 8.380 nan 0.000 0.444 235 T N 1.059 115.630 114.554 0.027 0.000 2.937 235 T HA -0.002 4.348 4.350 -0.000 0.000 0.316 235 T C 0.053 174.778 174.700 0.043 0.000 1.079 235 T CA 0.378 62.504 62.100 0.043 0.000 1.131 235 T CB 0.744 69.648 68.868 0.059 0.000 1.000 235 T HN 0.045 nan 8.240 nan 0.000 0.549 236 T N 4.760 119.342 114.554 0.047 0.000 2.799 236 T HA 0.222 4.572 4.350 -0.000 0.000 0.296 236 T C 0.274 175.006 174.700 0.053 0.000 0.947 236 T CA -0.349 61.777 62.100 0.044 0.000 1.141 236 T CB -0.080 68.814 68.868 0.042 0.000 0.891 236 T HN 0.261 nan 8.240 nan 0.000 0.533 237 I N 4.189 124.788 120.570 0.049 0.000 2.354 237 I HA 0.387 4.557 4.170 -0.000 0.000 0.292 237 I C 0.095 176.241 176.117 0.048 0.000 0.989 237 I CA -0.715 60.619 61.300 0.057 0.000 1.188 237 I CB 1.312 39.347 38.000 0.060 0.000 1.342 237 I HN 0.620 nan 8.210 nan 0.000 0.457 238 M N 5.394 125.023 119.600 0.049 0.000 2.364 238 M HA 0.682 5.162 4.480 -0.000 0.000 0.334 238 M C -0.659 175.667 176.300 0.044 0.000 1.107 238 M CA -0.559 54.766 55.300 0.042 0.000 0.988 238 M CB 1.916 34.539 32.600 0.039 0.000 1.673 238 M HN 0.684 nan 8.290 nan 0.000 0.441 239 A N 3.196 126.044 122.820 0.046 0.000 2.301 239 A HA 0.459 4.779 4.320 -0.000 0.000 0.312 239 A C -0.552 177.069 177.584 0.063 0.000 1.182 239 A CA -0.428 51.642 52.037 0.054 0.000 0.826 239 A CB 0.861 19.895 19.000 0.057 0.000 1.134 239 A HN 0.953 nan 8.150 nan 0.000 0.501 240 D N 0.519 120.964 120.400 0.075 0.000 3.028 240 D HA 0.042 4.682 4.640 -0.000 0.000 0.205 240 D C 1.248 177.645 176.300 0.162 0.000 1.489 240 D CA 0.475 54.528 54.000 0.089 0.000 1.452 240 D CB -0.205 40.633 40.800 0.063 0.000 1.052 240 D HN 0.456 nan 8.370 nan 0.000 0.221 241 E N 0.054 120.363 120.200 0.183 0.000 2.267 241 E HA -0.023 4.327 4.350 -0.000 0.000 0.197 241 E C 1.766 178.536 176.600 0.284 0.000 0.998 241 E CA 0.872 57.474 56.400 0.337 0.000 0.830 241 E CB -0.054 29.795 29.700 0.248 0.000 0.751 241 E HN 0.035 nan 8.360 nan 0.000 0.491 242 S N -0.636 115.155 115.700 0.152 0.000 2.561 242 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 242 S C 0.341 175.004 174.600 0.105 0.000 0.977 242 S CA 0.138 58.384 58.200 0.076 0.000 0.926 242 S CB 0.061 63.293 63.200 0.053 0.000 0.769 242 S HN 0.325 nan 8.310 nan 0.000 0.533 243 C N 1.337 120.765 119.300 0.214 0.000 2.455 243 C HA 0.557 5.017 4.460 -0.000 0.000 0.321 243 C C 0.566 175.797 174.990 0.401 0.000 1.102 243 C CA -0.893 58.260 59.018 0.225 0.000 1.413 243 C CB -1.402 26.418 27.740 0.134 0.000 1.952 243 C HN 0.383 nan 8.230 nan 0.000 0.428 244 F N 2.239 122.230 119.950 0.068 0.000 2.243 244 F HA 0.213 4.740 4.527 -0.000 0.000 0.287 244 F C 1.398 177.248 175.800 0.083 0.000 1.067 244 F CA 0.890 58.947 58.000 0.096 0.000 1.304 244 F CB -0.248 38.847 39.000 0.158 0.000 1.087 244 F HN 0.621 nan 8.300 nan 0.000 0.513 245 D N -1.535 119.038 120.400 0.289 0.000 2.689 245 D HA 0.487 5.127 4.640 -0.000 0.000 0.255 245 D C 1.092 177.455 176.300 0.105 0.000 1.113 245 D CA -0.128 53.975 54.000 0.171 0.000 1.115 245 D CB 0.191 41.100 40.800 0.182 0.000 1.334 245 D HN 0.004 nan 8.370 nan 0.000 0.621 246 A N -0.673 122.188 122.820 0.068 0.000 1.902 246 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 246 A C 2.024 179.632 177.584 0.040 0.000 1.181 246 A CA 1.809 53.867 52.037 0.037 0.000 0.623 246 A CB -1.065 17.942 19.000 0.011 0.000 0.818 246 A HN 0.613 nan 8.150 nan 0.000 0.443 247 Q N -0.539 119.291 119.800 0.050 0.000 2.124 247 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 247 Q C 1.434 177.457 176.000 0.038 0.000 0.977 247 Q CA 1.422 57.249 55.803 0.040 0.000 0.850 247 Q CB -0.182 28.582 28.738 0.043 0.000 0.901 247 Q HN 0.615 nan 8.270 nan 0.000 0.429 248 D N 0.342 120.774 120.400 0.054 0.000 2.097 248 D HA -0.120 4.519 4.640 -0.000 0.000 0.197 248 D C 1.819 178.145 176.300 0.044 0.000 0.984 248 D CA 1.277 55.306 54.000 0.047 0.000 0.826 248 D CB -0.201 40.645 40.800 0.076 0.000 0.973 248 D HN 0.235 nan 8.370 nan 0.000 0.460 249 A N 1.131 123.981 122.820 0.050 0.000 1.892 249 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 249 A C 2.196 179.795 177.584 0.026 0.000 1.188 249 A CA 1.297 53.357 52.037 0.038 0.000 0.631 249 A CB -0.857 18.162 19.000 0.033 0.000 0.822 249 A HN 0.250 nan 8.150 nan 0.000 0.447 250 L N 0.106 121.343 121.223 0.022 0.000 2.042 250 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 250 L C 2.307 179.187 176.870 0.016 0.000 1.076 250 L CA 2.779 57.629 54.840 0.016 0.000 0.749 250 L CB -0.692 41.375 42.059 0.014 0.000 0.893 250 L HN 0.639 nan 8.230 nan 0.000 0.432 251 E N -0.770 119.440 120.200 0.017 0.000 2.110 251 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 251 E C 2.209 178.819 176.600 0.017 0.000 0.988 251 E CA 1.388 57.796 56.400 0.014 0.000 0.804 251 E CB -0.200 29.507 29.700 0.011 0.000 0.745 251 E HN 0.602 nan 8.360 nan 0.000 0.458 252 L N 0.632 121.868 121.223 0.021 0.000 2.027 252 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 252 L C 2.796 179.679 176.870 0.021 0.000 1.074 252 L CA 1.288 56.143 54.840 0.024 0.000 0.745 252 L CB -0.676 41.402 42.059 0.031 0.000 0.898 252 L HN 0.247 nan 8.230 nan 0.000 0.433 253 V N -2.396 117.529 119.914 0.018 0.000 2.407 253 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 253 V C 2.393 178.494 176.094 0.013 0.000 1.055 253 V CA 1.490 63.798 62.300 0.014 0.000 1.049 253 V CB -0.658 31.171 31.823 0.011 0.000 0.662 253 V HN 0.367 nan 8.190 nan 0.000 0.455 254 K N 0.762 121.169 120.400 0.013 0.000 2.001 254 K HA -0.165 4.155 4.320 -0.000 0.000 0.214 254 K C 2.277 178.885 176.600 0.013 0.000 1.050 254 K CA 2.404 58.697 56.287 0.011 0.000 0.934 254 K CB -0.292 32.214 32.500 0.011 0.000 0.718 254 K HN 0.500 nan 8.250 nan 0.000 0.443 255 K N -0.666 119.743 120.400 0.015 0.000 2.432 255 K HA 0.026 4.346 4.320 -0.000 0.000 0.196 255 K C 0.673 177.284 176.600 0.019 0.000 1.038 255 K CA 0.567 56.864 56.287 0.017 0.000 0.986 255 K CB 0.378 32.890 32.500 0.019 0.000 0.782 255 K HN 0.416 nan 8.250 nan 0.000 0.485 256 G N 1.857 110.668 108.800 0.018 0.000 2.272 256 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 256 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 256 G C 0.613 175.527 174.900 0.022 0.000 1.067 256 G CA 0.611 45.722 45.100 0.018 0.000 0.902 256 G HN 0.270 nan 8.290 nan 0.000 0.500 257 T N -1.465 113.105 114.554 0.027 0.000 2.777 257 T HA 0.213 4.563 4.350 -0.000 0.000 0.266 257 T C 1.541 176.263 174.700 0.036 0.000 1.040 257 T CA 1.887 64.007 62.100 0.034 0.000 1.141 257 T CB -0.075 68.814 68.868 0.036 0.000 0.868 257 T HN 1.623 nan 8.240 nan 0.000 0.444 258 V N -1.741 118.192 119.914 0.033 0.000 3.156 258 V HA 0.560 4.679 4.120 -0.000 0.000 0.310 258 V C -0.478 175.633 176.094 0.027 0.000 1.234 258 V CA -0.921 61.400 62.300 0.034 0.000 1.065 258 V CB 1.943 33.790 31.823 0.040 0.000 1.088 258 V HN -0.144 nan 8.190 nan 0.000 0.451 259 D N -0.183 120.234 120.400 0.028 0.000 2.324 259 D HA 0.266 4.906 4.640 -0.000 0.000 0.212 259 D C 0.356 176.670 176.300 0.023 0.000 0.984 259 D CA 1.127 55.141 54.000 0.024 0.000 0.885 259 D CB 1.367 42.182 40.800 0.025 0.000 0.996 259 D HN 0.403 nan 8.370 nan 0.000 0.505 260 V N 1.037 120.968 119.914 0.027 0.000 3.007 260 V HA 0.448 4.568 4.120 -0.000 0.000 0.311 260 V C -0.537 175.574 176.094 0.029 0.000 1.120 260 V CA -0.829 61.486 62.300 0.025 0.000 0.980 260 V CB 3.184 35.023 31.823 0.027 0.000 1.033 260 V HN -0.113 nan 8.190 nan 0.000 0.429 261 I N 2.592 123.178 120.570 0.026 0.000 2.498 261 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 261 I C -0.588 175.546 176.117 0.028 0.000 1.032 261 I CA -0.533 60.785 61.300 0.031 0.000 1.073 261 I CB 2.038 40.057 38.000 0.031 0.000 1.251 261 I HN 0.607 nan 8.210 nan 0.000 0.426 262 N N 7.743 126.463 118.700 0.034 0.000 2.422 262 N HA 0.398 5.138 4.740 -0.000 0.000 0.264 262 N C -1.038 174.484 175.510 0.020 0.000 1.063 262 N CA -0.055 53.010 53.050 0.025 0.000 0.959 262 N CB 0.904 39.408 38.487 0.029 0.000 1.087 262 N HN 0.469 nan 8.380 nan 0.000 0.483 263 I N 2.872 123.445 120.570 0.006 0.000 2.392 263 I HA 0.300 4.470 4.170 -0.000 0.000 0.295 263 I C 0.233 176.337 176.117 -0.021 0.000 0.985 263 I CA -0.563 60.734 61.300 -0.004 0.000 1.221 263 I CB 1.246 39.241 38.000 -0.008 0.000 1.366 263 I HN 0.234 nan 8.210 nan 0.000 0.467 264 K N 6.015 126.391 120.400 -0.040 0.000 2.507 264 K HA 0.408 4.728 4.320 -0.000 0.000 0.251 264 K C 0.460 177.023 176.600 -0.062 0.000 0.943 264 K CA -0.669 55.583 56.287 -0.059 0.000 0.794 264 K CB 2.496 34.942 32.500 -0.089 0.000 1.188 264 K HN 0.542 nan 8.250 nan 0.000 0.428 265 L N 1.883 123.078 121.223 -0.047 0.000 2.127 265 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 265 L C 1.705 178.548 176.870 -0.044 0.000 1.089 265 L CA 1.204 56.025 54.840 -0.032 0.000 0.757 265 L CB -0.269 41.778 42.059 -0.020 0.000 0.899 265 L HN 0.677 nan 8.230 nan 0.000 0.434 266 M N -0.809 118.746 119.600 -0.075 0.000 2.619 266 M HA -0.067 4.412 4.480 -0.000 0.000 0.251 266 M C 1.802 177.999 176.300 -0.171 0.000 1.106 266 M CA 1.250 56.488 55.300 -0.103 0.000 1.086 266 M CB -0.642 31.896 32.600 -0.103 0.000 1.465 266 M HN 0.197 nan 8.290 nan 0.000 0.506 267 K N -0.420 119.854 120.400 -0.209 0.000 2.276 267 K HA 0.036 4.356 4.320 -0.000 0.000 0.198 267 K C 1.806 178.329 176.600 -0.127 0.000 1.052 267 K CA 0.963 57.027 56.287 -0.373 0.000 0.984 267 K CB 0.399 32.585 32.500 -0.524 0.000 0.836 267 K HN 0.499 nan 8.250 nan 0.000 0.490 268 C N -1.263 118.013 119.300 -0.041 0.000 2.926 268 C HA 0.447 4.906 4.460 -0.000 0.000 0.272 268 C C 1.293 176.320 174.990 0.062 0.000 1.249 268 C CA -0.069 58.976 59.018 0.046 0.000 1.691 268 C CB -0.452 27.310 27.740 0.037 0.000 1.983 268 C HN 0.545 nan 8.230 nan 0.000 0.615 269 G N 0.173 108.995 108.800 0.037 0.000 2.149 269 G HA2 0.409 4.369 3.960 -0.000 0.000 0.235 269 G HA3 0.409 4.369 3.960 -0.000 0.000 0.235 269 G C 0.617 175.625 174.900 0.179 0.000 1.018 269 G CA 0.282 45.437 45.100 0.092 0.000 0.728 269 G HN 2.552 nan 8.290 nan 0.000 0.508 270 G N -1.808 107.062 108.800 0.117 0.000 2.423 270 G HA2 0.193 4.153 3.960 -0.000 0.000 0.684 270 G HA3 0.193 4.153 3.960 -0.000 0.000 0.684 270 G C 0.690 175.642 174.900 0.086 0.000 1.309 270 G CA -0.146 45.045 45.100 0.152 0.000 0.950 270 G HN 0.871 nan 8.290 nan 0.000 0.587 271 I N 0.005 120.598 120.570 0.038 0.000 2.264 271 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 271 I C 2.400 178.476 176.117 -0.069 0.000 1.111 271 I CA 1.682 62.893 61.300 -0.148 0.000 1.382 271 I CB -0.240 37.410 38.000 -0.582 0.000 1.060 271 I HN 0.719 nan 8.210 nan 0.000 0.418 272 H N 1.087 120.183 119.070 0.044 0.000 2.352 272 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 272 H C 1.983 177.240 175.328 -0.118 0.000 1.097 272 H CA 1.593 57.643 56.048 0.003 0.000 1.311 272 H CB 0.331 30.012 29.762 -0.135 0.000 1.377 272 H HN 0.290 nan 8.280 nan 0.000 0.504 273 E N 0.323 120.463 120.200 -0.101 0.000 2.112 273 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 273 E C 2.361 178.914 176.600 -0.080 0.000 0.979 273 E CA 0.731 57.070 56.400 -0.101 0.000 0.814 273 E CB -0.236 29.456 29.700 -0.013 0.000 0.762 273 E HN 0.519 nan 8.360 nan 0.000 0.460 274 A N 1.288 124.074 122.820 -0.058 0.000 1.940 274 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 274 A C 2.363 179.903 177.584 -0.072 0.000 1.176 274 A CA 1.092 53.097 52.037 -0.053 0.000 0.631 274 A CB -0.720 18.249 19.000 -0.052 0.000 0.814 274 A HN 0.192 nan 8.150 nan 0.000 0.446 275 L N -0.737 120.423 121.223 -0.106 0.000 2.017 275 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 275 L C 2.634 179.444 176.870 -0.101 0.000 1.073 275 L CA 1.905 56.683 54.840 -0.104 0.000 0.745 275 L CB -0.470 41.514 42.059 -0.124 0.000 0.894 275 L HN 0.378 nan 8.230 nan 0.000 0.432 276 K N 0.175 120.495 120.400 -0.133 0.000 2.032 276 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 276 K C 2.032 178.598 176.600 -0.056 0.000 1.048 276 K CA 1.492 57.716 56.287 -0.104 0.000 0.927 276 K CB -0.295 32.135 32.500 -0.116 0.000 0.712 276 K HN 0.257 nan 8.250 nan 0.000 0.441 277 I N 1.279 121.824 120.570 -0.043 0.000 2.179 277 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 277 I C 2.302 178.406 176.117 -0.020 0.000 1.088 277 I CA 1.193 62.482 61.300 -0.017 0.000 1.357 277 I CB -0.389 37.610 38.000 -0.002 0.000 1.051 277 I HN 0.212 nan 8.210 nan 0.000 0.409 278 N N 0.823 119.504 118.700 -0.031 0.000 2.120 278 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 278 N C 1.891 177.380 175.510 -0.035 0.000 1.024 278 N CA 1.550 54.580 53.050 -0.032 0.000 0.852 278 N CB -0.044 38.419 38.487 -0.040 0.000 1.003 278 N HN 0.338 nan 8.380 nan 0.000 0.424 279 Q N -0.369 119.407 119.800 -0.040 0.000 2.119 279 Q HA -0.049 4.291 4.340 -0.000 0.000 0.201 279 Q C 2.063 178.047 176.000 -0.027 0.000 0.972 279 Q CA 1.122 56.904 55.803 -0.036 0.000 0.847 279 Q CB -0.014 28.700 28.738 -0.040 0.000 0.903 279 Q HN 0.511 nan 8.270 nan 0.000 0.433 280 I N -0.085 120.471 120.570 -0.023 0.000 2.252 280 I HA -0.303 3.866 4.170 -0.000 0.000 0.245 280 I C 2.270 178.381 176.117 -0.010 0.000 1.102 280 I CA 0.673 61.965 61.300 -0.013 0.000 1.385 280 I CB -0.254 37.742 38.000 -0.007 0.000 1.064 280 I HN 0.312 nan 8.210 nan 0.000 0.414 281 C N 0.374 119.669 119.300 -0.010 0.000 2.446 281 C HA -0.158 4.302 4.460 -0.000 0.000 0.277 281 C C 2.793 177.775 174.990 -0.013 0.000 1.275 281 C CA 0.984 59.998 59.018 -0.007 0.000 1.727 281 C CB -0.949 26.788 27.740 -0.005 0.000 2.010 281 C HN 0.537 nan 8.230 nan 0.000 0.486 282 E N 0.659 120.846 120.200 -0.022 0.000 2.077 282 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 282 E C 1.856 178.443 176.600 -0.021 0.000 0.989 282 E CA 1.741 58.124 56.400 -0.028 0.000 0.800 282 E CB -0.121 29.554 29.700 -0.042 0.000 0.746 282 E HN 0.563 nan 8.360 nan 0.000 0.452 283 T N 0.107 114.651 114.554 -0.018 0.000 2.833 283 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 283 T C 1.546 176.242 174.700 -0.008 0.000 1.054 283 T CA 1.131 63.224 62.100 -0.013 0.000 1.135 283 T CB -0.086 68.775 68.868 -0.011 0.000 0.869 283 T HN 0.305 nan 8.240 nan 0.000 0.466 284 A N 0.176 122.992 122.820 -0.006 0.000 2.275 284 A HA 0.555 4.875 4.320 -0.000 0.000 0.212 284 A C 1.776 179.359 177.584 -0.002 0.000 1.201 284 A CA 0.602 52.638 52.037 -0.002 0.000 0.843 284 A CB -0.528 18.473 19.000 0.001 0.000 0.873 284 A HN 0.658 nan 8.150 nan 0.000 0.492 285 G N -0.688 108.109 108.800 -0.005 0.000 2.147 285 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 285 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 285 G C -0.044 174.855 174.900 -0.002 0.000 1.005 285 G CA 0.367 45.464 45.100 -0.005 0.000 0.713 285 G HN 0.476 nan 8.290 nan 0.000 0.515 286 I N 1.009 121.578 120.570 -0.002 0.000 2.362 286 I HA 0.319 4.488 4.170 -0.000 0.000 0.289 286 I C 0.591 176.707 176.117 -0.002 0.000 0.994 286 I CA -0.795 60.506 61.300 0.002 0.000 1.158 286 I CB 1.236 39.240 38.000 0.007 0.000 1.315 286 I HN 0.145 nan 8.210 nan 0.000 0.451 287 E N 4.418 124.618 120.200 -0.000 0.000 2.371 287 E HA 0.367 4.717 4.350 -0.000 0.000 0.257 287 E C -1.027 175.573 176.600 0.001 0.000 1.134 287 E CA -0.540 55.858 56.400 -0.004 0.000 0.919 287 E CB 1.373 31.073 29.700 -0.000 0.000 1.025 287 E HN 0.490 nan 8.360 nan 0.000 0.438 288 C N 1.408 120.706 119.300 -0.004 0.000 2.634 288 C HA 0.534 4.994 4.460 -0.000 0.000 0.313 288 C C -0.210 174.782 174.990 0.005 0.000 1.198 288 C CA -0.682 58.336 59.018 0.001 0.000 1.605 288 C CB 0.969 28.706 27.740 -0.006 0.000 2.196 288 C HN 0.720 nan 8.230 nan 0.000 0.486 289 M N 2.967 122.573 119.600 0.010 0.000 2.383 289 M HA 0.674 5.154 4.480 -0.000 0.000 0.325 289 M C -1.206 175.098 176.300 0.007 0.000 1.092 289 M CA -0.563 54.745 55.300 0.013 0.000 0.961 289 M CB 1.208 33.820 32.600 0.021 0.000 1.672 289 M HN 0.752 nan 8.290 nan 0.000 0.438 290 I N 4.263 124.835 120.570 0.004 0.000 2.331 290 I HA 0.654 4.824 4.170 -0.000 0.000 0.292 290 I C -0.019 176.094 176.117 -0.007 0.000 0.998 290 I CA 0.319 61.616 61.300 -0.005 0.000 1.267 290 I CB 1.103 39.098 38.000 -0.008 0.000 1.386 290 I HN 0.750 nan 8.210 nan 0.000 0.476 291 G N 5.655 114.446 108.800 -0.015 0.000 3.075 291 G HA2 0.729 4.689 3.960 -0.000 0.000 0.253 291 G HA3 0.729 4.689 3.960 -0.000 0.000 0.253 291 G C -1.237 173.640 174.900 -0.038 0.000 1.353 291 G CA -0.149 44.939 45.100 -0.019 0.000 1.051 291 G HN 0.983 nan 8.290 nan 0.000 0.553 292 C N -2.231 117.043 119.300 -0.043 0.000 3.311 292 C HA 0.802 5.262 4.460 -0.000 0.000 0.325 292 C C -0.452 174.509 174.990 -0.048 0.000 1.352 292 C CA -1.256 57.726 59.018 -0.060 0.000 1.308 292 C CB 0.900 28.585 27.740 -0.091 0.000 1.619 292 C HN 0.649 nan 8.230 nan 0.000 0.469 293 M N 1.934 121.500 119.600 -0.056 0.000 2.342 293 M HA 0.433 4.913 4.480 -0.000 0.000 0.332 293 M C 1.268 177.540 176.300 -0.047 0.000 1.166 293 M CA -0.054 55.223 55.300 -0.039 0.000 1.086 293 M CB 1.220 33.780 32.600 -0.066 0.000 1.541 293 M HN 1.069 nan 8.290 nan 0.000 0.462 294 A N 1.524 124.343 122.820 -0.002 0.000 2.015 294 A HA -0.080 4.239 4.320 -0.000 0.000 0.219 294 A C 1.522 179.080 177.584 -0.044 0.000 1.163 294 A CA 1.341 53.362 52.037 -0.027 0.000 0.646 294 A CB -0.428 18.649 19.000 0.128 0.000 0.806 294 A HN 0.883 nan 8.150 nan 0.000 0.448 295 E N 0.605 120.777 120.200 -0.047 0.000 2.502 295 E HA 0.020 4.369 4.350 -0.000 0.000 0.194 295 E C 0.534 177.101 176.600 -0.055 0.000 1.062 295 E CA 0.500 56.867 56.400 -0.054 0.000 0.867 295 E CB 0.045 29.700 29.700 -0.075 0.000 0.888 295 E HN 0.906 nan 8.360 nan 0.000 0.510 296 E N -0.015 120.147 120.200 -0.063 0.000 2.254 296 E HA 0.450 4.800 4.350 -0.000 0.000 0.261 296 E C 0.289 176.850 176.600 -0.064 0.000 1.051 296 E CA -0.661 55.704 56.400 -0.058 0.000 0.902 296 E CB 1.418 31.083 29.700 -0.058 0.000 1.168 296 E HN -0.008 nan 8.360 nan 0.000 0.423 297 T N -2.194 112.330 114.554 -0.050 0.000 2.551 297 T HA 0.218 4.568 4.350 -0.000 0.000 0.249 297 T C 1.267 175.937 174.700 -0.050 0.000 0.851 297 T CA 0.138 62.207 62.100 -0.053 0.000 1.149 297 T CB 0.238 69.087 68.868 -0.032 0.000 1.456 297 T HN 0.390 nan 8.240 nan 0.000 0.514 298 T N 1.452 115.982 114.554 -0.039 0.000 2.620 298 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 298 T C 1.938 176.625 174.700 -0.022 0.000 1.044 298 T CA 2.275 64.355 62.100 -0.034 0.000 1.161 298 T CB -0.847 68.002 68.868 -0.031 0.000 0.862 298 T HN 0.494 nan 8.240 nan 0.000 0.438 299 I N 1.033 121.597 120.570 -0.010 0.000 2.142 299 I HA -0.111 4.059 4.170 -0.000 0.000 0.240 299 I C 3.009 179.134 176.117 0.013 0.000 1.078 299 I CA 1.519 62.826 61.300 0.011 0.000 1.343 299 I CB -0.906 37.122 38.000 0.047 0.000 1.046 299 I HN 0.350 nan 8.210 nan 0.000 0.405 300 G N 1.190 109.990 108.800 0.001 0.000 2.422 300 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 300 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 300 G C 1.624 176.514 174.900 -0.017 0.000 1.146 300 G CA 0.391 45.486 45.100 -0.007 0.000 0.769 300 G HN 0.183 nan 8.290 nan 0.000 0.547 301 I N 1.392 121.942 120.570 -0.034 0.000 2.252 301 I HA -0.097 4.073 4.170 -0.000 0.000 0.245 301 I C 2.878 178.992 176.117 -0.005 0.000 1.102 301 I CA 1.384 62.654 61.300 -0.049 0.000 1.385 301 I CB -1.381 36.560 38.000 -0.099 0.000 1.064 301 I HN 0.112 nan 8.210 nan 0.000 0.414 302 T N 1.381 115.949 114.554 0.024 0.000 2.708 302 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 302 T C 2.074 176.880 174.700 0.177 0.000 1.037 302 T CA 1.515 63.676 62.100 0.101 0.000 1.146 302 T CB -0.285 68.641 68.868 0.096 0.000 0.865 302 T HN 0.433 nan 8.240 nan 0.000 0.435 303 A N 1.502 124.377 122.820 0.092 0.000 1.908 303 A HA 0.093 4.413 4.320 -0.000 0.000 0.218 303 A C 2.629 180.255 177.584 0.070 0.000 1.181 303 A CA 1.921 53.999 52.037 0.068 0.000 0.627 303 A CB -1.092 17.921 19.000 0.022 0.000 0.818 303 A HN 0.515 nan 8.150 nan 0.000 0.445 304 A N -0.377 122.465 122.820 0.037 0.000 1.969 304 A HA 0.220 4.539 4.320 -0.000 0.000 0.218 304 A C 2.456 180.056 177.584 0.027 0.000 1.169 304 A CA 1.880 53.925 52.037 0.013 0.000 0.635 304 A CB -0.856 18.137 19.000 -0.013 0.000 0.810 304 A HN 1.008 nan 8.150 nan 0.000 0.445 305 A N -1.095 121.748 122.820 0.039 0.000 1.898 305 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 305 A C 2.053 179.631 177.584 -0.010 0.000 1.181 305 A CA 1.448 53.484 52.037 -0.002 0.000 0.620 305 A CB -0.929 18.053 19.000 -0.030 0.000 0.819 305 A HN 0.673 nan 8.150 nan 0.000 0.442 306 H N -1.254 117.838 119.070 0.037 0.000 2.353 306 H HA -0.116 4.439 4.556 -0.000 0.000 0.300 306 H C 2.123 177.494 175.328 0.071 0.000 1.090 306 H CA 1.813 57.919 56.048 0.096 0.000 1.327 306 H CB -0.164 29.665 29.762 0.111 0.000 1.383 306 H HN 0.432 nan 8.280 nan 0.000 0.508 307 L N 1.033 122.332 121.223 0.127 0.000 2.027 307 L HA -0.062 4.278 4.340 -0.000 0.000 0.206 307 L C 2.611 179.502 176.870 0.036 0.000 1.074 307 L CA 1.832 56.699 54.840 0.045 0.000 0.745 307 L CB -0.868 41.180 42.059 -0.018 0.000 0.898 307 L HN 0.137 nan 8.230 nan 0.000 0.433 308 A N -0.300 122.533 122.820 0.022 0.000 1.883 308 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 308 A C 2.447 180.045 177.584 0.024 0.000 1.186 308 A CA 2.046 54.091 52.037 0.012 0.000 0.624 308 A CB -1.307 17.695 19.000 0.002 0.000 0.822 308 A HN 0.591 nan 8.150 nan 0.000 0.444 309 A N -0.482 122.341 122.820 0.005 0.000 1.972 309 A HA 0.207 4.527 4.320 -0.000 0.000 0.219 309 A C 2.408 180.037 177.584 0.074 0.000 1.169 309 A CA 1.942 53.972 52.037 -0.013 0.000 0.635 309 A CB -0.785 18.123 19.000 -0.153 0.000 0.810 309 A HN 1.040 nan 8.150 nan 0.000 0.446 310 A N -1.567 121.322 122.820 0.114 0.000 1.970 310 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 310 A C 1.187 178.854 177.584 0.139 0.000 1.170 310 A CA 0.534 52.677 52.037 0.177 0.000 0.645 310 A CB -0.043 19.070 19.000 0.188 0.000 0.816 310 A HN 0.460 nan 8.150 nan 0.000 0.447 311 Q N -0.217 119.620 119.800 0.062 0.000 2.314 311 Q HA 0.194 4.534 4.340 -0.000 0.000 0.259 311 Q C 0.433 176.361 176.000 -0.120 0.000 0.951 311 Q CA -0.223 55.563 55.803 -0.028 0.000 0.909 311 Q CB 1.830 30.548 28.738 -0.033 0.000 1.236 311 Q HN 0.572 nan 8.270 nan 0.000 0.444 312 K N 3.051 123.227 120.400 -0.372 0.000 2.057 312 K HA -0.204 4.116 4.320 -0.000 0.000 0.207 312 K C 1.110 177.549 176.600 -0.270 0.000 1.049 312 K CA 1.710 57.615 56.287 -0.636 0.000 0.931 312 K CB 0.227 32.077 32.500 -1.083 0.000 0.714 312 K HN 0.387 nan 8.250 nan 0.000 0.440 313 N N 0.552 119.141 118.700 -0.184 0.000 2.550 313 N HA -0.017 4.722 4.740 -0.000 0.000 0.186 313 N C -0.171 175.305 175.510 -0.057 0.000 1.110 313 N CA 0.311 53.301 53.050 -0.101 0.000 0.912 313 N CB 0.063 38.502 38.487 -0.080 0.000 0.968 313 N HN 0.185 nan 8.380 nan 0.000 0.448 314 I N 1.175 121.715 120.570 -0.050 0.000 2.241 314 I HA 0.052 4.222 4.170 -0.000 0.000 0.294 314 I C 0.893 177.007 176.117 -0.005 0.000 1.145 314 I CA -0.133 61.155 61.300 -0.020 0.000 1.261 314 I CB 0.492 38.484 38.000 -0.014 0.000 1.475 314 I HN 0.159 nan 8.210 nan 0.000 0.533 315 T N 2.000 116.554 114.554 0.001 0.000 3.107 315 T HA 0.262 4.612 4.350 -0.000 0.000 0.249 315 T C 0.800 175.515 174.700 0.026 0.000 1.096 315 T CA -0.035 62.075 62.100 0.016 0.000 1.012 315 T CB 0.172 69.048 68.868 0.013 0.000 0.977 315 T HN 0.418 nan 8.240 nan 0.000 0.527 316 R N -0.036 120.478 120.500 0.024 0.000 2.740 316 R HA 0.773 5.113 4.340 -0.000 0.000 0.273 316 R C -1.672 174.646 176.300 0.029 0.000 0.998 316 R CA -0.813 55.306 56.100 0.031 0.000 0.900 316 R CB 2.361 32.680 30.300 0.033 0.000 1.223 316 R HN 0.234 nan 8.270 nan 0.000 0.466 317 A N 0.985 123.828 122.820 0.038 0.000 2.422 317 A HA 0.444 4.764 4.320 -0.000 0.000 0.302 317 A C -1.467 176.144 177.584 0.046 0.000 1.041 317 A CA -0.534 51.524 52.037 0.034 0.000 0.708 317 A CB 1.635 20.655 19.000 0.034 0.000 1.257 317 A HN 0.680 nan 8.150 nan 0.000 0.414 318 D N 2.483 122.898 120.400 0.024 0.000 2.613 318 D HA 0.360 5.000 4.640 -0.000 0.000 0.312 318 D C -1.127 175.156 176.300 -0.029 0.000 1.202 318 D CA 0.048 54.058 54.000 0.017 0.000 0.825 318 D CB -0.042 40.767 40.800 0.015 0.000 1.113 318 D HN 0.341 nan 8.370 nan 0.000 0.502 319 L N 2.465 123.664 121.223 -0.039 0.000 2.603 319 L HA 0.363 4.703 4.340 -0.000 0.000 0.242 319 L C 0.210 176.894 176.870 -0.310 0.000 1.169 319 L CA -0.359 54.404 54.840 -0.128 0.000 1.029 319 L CB 0.773 42.782 42.059 -0.084 0.000 1.361 319 L HN 0.169 nan 8.230 nan 0.000 0.439 320 D N -0.111 120.066 120.400 -0.372 0.000 2.440 320 D HA 0.069 4.709 4.640 -0.000 0.000 0.216 320 D C 1.459 177.359 176.300 -0.667 0.000 1.150 320 D CA 0.108 53.678 54.000 -0.716 0.000 0.832 320 D CB 0.663 41.356 40.800 -0.178 0.000 0.992 320 D HN 0.253 nan 8.370 nan 0.000 0.502 321 A N 1.293 123.836 122.820 -0.460 0.000 1.908 321 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 321 A C 2.327 179.738 177.584 -0.289 0.000 1.181 321 A CA 2.492 54.337 52.037 -0.320 0.000 0.627 321 A CB -1.244 17.626 19.000 -0.216 0.000 0.818 321 A HN 0.414 nan 8.150 nan 0.000 0.445 322 T N -3.246 111.093 114.554 -0.360 0.000 2.962 322 T HA -0.075 4.275 4.350 -0.000 0.000 0.270 322 T C 1.402 176.091 174.700 -0.019 0.000 1.088 322 T CA 1.213 63.204 62.100 -0.182 0.000 1.127 322 T CB -0.606 68.183 68.868 -0.131 0.000 0.883 322 T HN 0.232 nan 8.240 nan 0.000 0.493 323 F N 2.198 122.127 119.950 -0.034 0.000 2.365 323 F HA 0.300 4.827 4.527 -0.000 0.000 0.300 323 F C 2.479 178.251 175.800 -0.047 0.000 1.090 323 F CA -0.011 57.973 58.000 -0.026 0.000 1.408 323 F CB -1.156 37.825 39.000 -0.032 0.000 1.060 323 F HN 0.419 nan 8.300 nan 0.000 0.534 324 G N -0.380 108.464 108.800 0.075 0.000 3.126 324 G HA2 0.219 4.179 3.960 -0.000 0.000 0.224 324 G HA3 0.219 4.179 3.960 -0.000 0.000 0.224 324 G C 0.584 175.490 174.900 0.010 0.000 1.142 324 G CA -0.231 44.879 45.100 0.017 0.000 0.759 324 G HN 0.089 nan 8.290 nan 0.000 0.550 325 L N 0.821 122.050 121.223 0.011 0.000 2.416 325 L HA 0.233 4.573 4.340 -0.000 0.000 0.272 325 L C 1.558 178.441 176.870 0.022 0.000 1.161 325 L CA -0.443 54.402 54.840 0.007 0.000 0.845 325 L CB 1.400 43.458 42.059 -0.001 0.000 1.119 325 L HN 0.064 nan 8.230 nan 0.000 0.464 326 E N 1.080 121.290 120.200 0.017 0.000 2.285 326 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 326 E C 0.331 176.943 176.600 0.019 0.000 0.997 326 E CA 0.582 56.993 56.400 0.019 0.000 0.845 326 E CB 0.432 30.142 29.700 0.017 0.000 0.782 326 E HN 0.655 nan 8.360 nan 0.000 0.491 327 T N -1.631 112.933 114.554 0.017 0.000 2.802 327 T HA 0.677 5.026 4.350 -0.000 0.000 0.311 327 T C -1.800 172.908 174.700 0.014 0.000 1.405 327 T CA -0.299 61.811 62.100 0.017 0.000 1.016 327 T CB 1.084 69.961 68.868 0.015 0.000 1.352 327 T HN 0.000 nan 8.240 nan 0.000 0.498 328 A N 3.307 126.136 122.820 0.015 0.000 2.289 328 A HA 0.652 4.972 4.320 -0.000 0.000 0.298 328 A C -1.239 176.351 177.584 0.010 0.000 1.208 328 A CA -1.310 50.733 52.037 0.009 0.000 0.845 328 A CB 0.453 19.459 19.000 0.009 0.000 1.125 328 A HN 0.723 nan 8.150 nan 0.000 0.517 329 P HA 0.052 nan 4.420 nan 0.000 0.229 329 P C 0.274 177.586 177.300 0.020 0.000 1.160 329 P CA 0.809 63.919 63.100 0.016 0.000 0.777 329 P CB 0.268 31.977 31.700 0.016 0.000 0.814 330 V N -1.493 118.419 119.914 -0.003 0.000 3.181 330 V HA 0.410 4.530 4.120 -0.000 0.000 0.307 330 V C -1.026 175.041 176.094 -0.046 0.000 1.310 330 V CA -0.601 61.681 62.300 -0.030 0.000 1.067 330 V CB 2.221 33.977 31.823 -0.111 0.000 1.081 330 V HN -0.167 nan 8.190 nan 0.000 0.453 331 T N 1.952 116.453 114.554 -0.088 0.000 2.829 331 T HA 0.726 5.076 4.350 -0.000 0.000 0.282 331 T C 0.071 174.672 174.700 -0.165 0.000 0.990 331 T CA 0.726 62.755 62.100 -0.118 0.000 1.028 331 T CB 0.859 69.598 68.868 -0.215 0.000 0.951 331 T HN 1.830 nan 8.240 nan 0.000 0.460 332 G N 1.674 110.407 108.800 -0.112 0.000 2.660 332 G HA2 0.348 4.308 3.960 -0.000 0.000 0.215 332 G HA3 0.348 4.308 3.960 -0.000 0.000 0.215 332 G C 0.299 175.163 174.900 -0.059 0.000 1.345 332 G CA -0.309 44.737 45.100 -0.090 0.000 0.877 332 G HN 1.870 nan 8.290 nan 0.000 0.549 333 G N -2.500 106.284 108.800 -0.028 0.000 2.645 333 G HA2 0.177 4.136 3.960 -0.000 0.000 0.239 333 G HA3 0.177 4.136 3.960 -0.000 0.000 0.239 333 G C 0.362 175.273 174.900 0.018 0.000 1.331 333 G CA 0.456 45.562 45.100 0.009 0.000 0.890 333 G HN 2.082 nan 8.290 nan 0.000 0.572 334 V N 1.209 121.137 119.914 0.024 0.000 2.540 334 V HA 0.395 4.515 4.120 -0.000 0.000 0.297 334 V C 1.499 177.611 176.094 0.030 0.000 1.024 334 V CA 0.937 63.252 62.300 0.025 0.000 1.105 334 V CB 0.844 32.671 31.823 0.007 0.000 0.938 334 V HN 1.351 nan 8.190 nan 0.000 0.482 335 S N 4.362 120.097 115.700 0.057 0.000 2.589 335 S HA 0.178 4.648 4.470 -0.000 0.000 0.265 335 S C 0.852 175.527 174.600 0.124 0.000 1.342 335 S CA -0.495 57.748 58.200 0.071 0.000 1.005 335 S CB 0.640 63.879 63.200 0.065 0.000 0.909 335 S HN 0.513 nan 8.310 nan 0.000 0.555 336 L N 1.640 122.929 121.223 0.111 0.000 2.418 336 L HA 0.314 4.654 4.340 -0.000 0.000 0.218 336 L C 1.358 178.365 176.870 0.227 0.000 1.125 336 L CA 0.894 55.826 54.840 0.153 0.000 0.835 336 L CB -1.053 41.058 42.059 0.087 0.000 0.953 336 L HN 0.768 nan 8.230 nan 0.000 0.454 337 E N 0.874 121.167 120.200 0.154 0.000 2.480 337 E HA 0.104 4.454 4.350 -0.000 0.000 0.258 337 E C -0.007 176.588 176.600 -0.008 0.000 0.984 337 E CA -0.139 56.304 56.400 0.072 0.000 0.930 337 E CB 0.674 30.388 29.700 0.024 0.000 0.936 337 E HN 0.244 nan 8.360 nan 0.000 0.466 338 A N 6.246 128.949 122.820 -0.195 0.000 2.544 338 A HA 0.152 4.472 4.320 -0.000 0.000 0.301 338 A C -0.416 176.917 177.584 -0.417 0.000 1.368 338 A CA -0.039 51.590 52.037 -0.681 0.000 1.045 338 A CB -0.269 18.516 19.000 -0.358 0.000 1.129 338 A HN 0.552 nan 8.150 nan 0.000 0.540 339 K N 2.555 122.625 120.400 -0.551 0.000 2.502 339 K HA 0.596 4.915 4.320 -0.000 0.000 0.257 339 K C -2.901 173.332 176.600 -0.611 0.000 0.938 339 K CA -1.770 54.197 56.287 -0.534 0.000 0.819 339 K CB 2.357 34.699 32.500 -0.264 0.000 1.333 339 K HN 0.122 nan 8.250 nan 0.000 0.434 340 P HA -0.066 nan 4.420 nan 0.000 0.224 340 P C 0.149 177.356 177.300 -0.154 0.000 1.157 340 P CA 0.357 63.132 63.100 -0.542 0.000 0.799 340 P CB 0.287 31.574 31.700 -0.687 0.000 0.809 341 L N 1.322 122.443 121.223 -0.171 0.000 2.260 341 L HA 0.268 4.608 4.340 -0.000 0.000 0.289 341 L C -0.352 176.495 176.870 -0.038 0.000 1.057 341 L CA -0.388 54.400 54.840 -0.088 0.000 0.811 341 L CB 0.048 42.044 42.059 -0.104 0.000 1.184 341 L HN -0.183 nan 8.230 nan 0.000 0.429 342 L N 5.854 127.066 121.223 -0.017 0.000 2.297 342 L HA 0.438 4.778 4.340 -0.000 0.000 0.277 342 L C -0.157 176.675 176.870 -0.064 0.000 1.040 342 L CA -0.383 54.451 54.840 -0.010 0.000 0.867 342 L CB 0.692 42.758 42.059 0.011 0.000 1.244 342 L HN 0.584 nan 8.230 nan 0.000 0.433 343 E N 4.455 124.616 120.200 -0.064 0.000 2.167 343 E HA 0.423 4.773 4.350 -0.000 0.000 0.284 343 E C -0.792 175.752 176.600 -0.093 0.000 1.016 343 E CA -0.509 55.836 56.400 -0.092 0.000 0.817 343 E CB 1.806 31.464 29.700 -0.069 0.000 1.080 343 E HN 0.464 nan 8.360 nan 0.000 0.397 344 L N 2.657 123.785 121.223 -0.158 0.000 2.292 344 L HA 0.365 4.705 4.340 -0.000 0.000 0.284 344 L C 1.007 177.882 176.870 0.008 0.000 1.065 344 L CA -0.563 54.203 54.840 -0.123 0.000 0.806 344 L CB 0.953 42.809 42.059 -0.339 0.000 1.175 344 L HN 0.629 nan 8.230 nan 0.000 0.431 345 G N 1.186 110.041 108.800 0.092 0.000 2.494 345 G HA2 0.158 4.118 3.960 -0.000 0.000 0.270 345 G HA3 0.158 4.118 3.960 -0.000 0.000 0.270 345 G C 0.389 175.406 174.900 0.195 0.000 1.423 345 G CA -0.276 44.889 45.100 0.109 0.000 1.055 345 G HN 0.651 nan 8.290 nan 0.000 0.536 346 E N -0.186 120.093 120.200 0.132 0.000 2.476 346 E HA 0.246 4.596 4.350 -0.000 0.000 0.196 346 E C 1.163 177.809 176.600 0.077 0.000 1.029 346 E CA -0.206 56.265 56.400 0.118 0.000 0.896 346 E CB 0.469 30.217 29.700 0.081 0.000 1.012 346 E HN 0.455 nan 8.360 nan 0.000 0.475 347 A N 1.418 124.287 122.820 0.082 0.000 2.498 347 A HA 0.409 4.729 4.320 -0.000 0.000 0.239 347 A C 0.584 178.192 177.584 0.041 0.000 1.068 347 A CA 0.209 52.276 52.037 0.050 0.000 0.766 347 A CB 0.281 19.307 19.000 0.042 0.000 1.003 347 A HN 0.176 nan 8.150 nan 0.000 0.497 348 A N 2.109 124.937 122.820 0.014 0.000 2.445 348 A HA 0.570 4.889 4.320 -0.000 0.000 0.242 348 A C 1.510 179.080 177.584 -0.024 0.000 1.075 348 A CA 0.779 52.812 52.037 -0.006 0.000 0.777 348 A CB -0.676 18.325 19.000 0.002 0.000 1.013 348 A HN 2.904 nan 8.150 nan 0.000 0.493 349 G N 0.052 108.817 108.800 -0.058 0.000 2.556 349 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.283 349 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.283 349 G C 0.726 175.501 174.900 -0.209 0.000 1.177 349 G CA 0.527 45.567 45.100 -0.100 0.000 0.978 349 G HN 1.163 nan 8.290 nan 0.000 0.554 350 L N 2.101 123.228 121.223 -0.159 0.000 2.509 350 L HA 0.372 4.712 4.340 -0.000 0.000 0.222 350 L C 2.306 179.157 176.870 -0.032 0.000 1.123 350 L CA 0.970 55.706 54.840 -0.174 0.000 0.856 350 L CB -0.373 41.636 42.059 -0.082 0.000 0.985 350 L HN 2.017 nan 8.230 nan 0.000 0.456 351 G N 1.302 110.085 108.800 -0.028 0.000 2.176 351 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 351 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 351 G C 0.057 174.910 174.900 -0.079 0.000 1.024 351 G CA 0.065 45.156 45.100 -0.016 0.000 0.755 351 G HN 0.304 nan 8.290 nan 0.000 0.507 352 I N 0.614 121.096 120.570 -0.146 0.000 2.562 352 I HA 0.704 4.873 4.170 -0.000 0.000 0.301 352 I C 0.659 176.489 176.117 -0.478 0.000 1.003 352 I CA -0.110 61.000 61.300 -0.316 0.000 1.127 352 I CB 2.098 39.858 38.000 -0.399 0.000 1.304 352 I HN 0.440 nan 8.210 nan 0.000 0.446 353 S N 2.701 118.096 115.700 -0.507 0.000 2.727 353 S HA 0.556 5.026 4.470 -0.000 0.000 0.278 353 S C -0.637 173.864 174.600 -0.165 0.000 1.186 353 S CA -0.801 57.190 58.200 -0.348 0.000 0.836 353 S CB 1.363 64.443 63.200 -0.200 0.000 1.186 353 S HN 0.874 nan 8.310 nan 0.000 0.499 354 H N 0.000 119.057 119.070 -0.021 0.000 2.539 354 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 354 H CA 0.000 56.057 56.048 0.014 0.000 1.023 354 H CB 0.000 29.751 29.762 -0.018 0.000 1.292 354 H HN 0.000 nan 8.280 nan 0.000 0.496