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 3nvb_1_A DATA FIRST_RESID 3 DATA SEQUENCE LYTFKELKRA TKQDTVSLPK LKVALLGDTA TQLLATAIKG EGILRNYNIE DATA SEQUENCE LWEAEYNQVE RQIXDPTSDY YQFEPDYTII FHSTHKLLEK HSLVNSDLQN DATA SEQUENCE KLADDRLDFV RLLCEQGIGR VIYYNYPEIE DTIWGSYATK VQSSFTYQLT DATA SEQUENCE KLNYELXNIS QAYPNFFICN LAGISAKYGR NFXFDSSVYV NTEIILSLDA DATA SEQUENCE LPIISSRTID IIAAIQGKFK KCLILDLDNT IWGGVVGDDG WENIQVGHGL DATA SEQUENCE GIGKAFTEFQ EWVKKLKNRG IIIAVCSKNN EGKAKEPFER NPEXVLKLDD DATA SEQUENCE IAVFVANWEN KADNIRTIQR TLNIGFDSXV FLDDNPFERN XVREHVPGVT DATA SEQUENCE VPELPEDPGD YLEYLYTLNL FETA 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.702 176.870 -0.280 0.000 1.165 3 L CA 0.000 54.737 54.840 -0.171 0.000 0.813 3 L CB 0.000 42.038 42.059 -0.036 0.000 0.961 4 Y N -0.050 120.266 120.300 0.027 0.000 2.596 4 Y HA 0.631 5.180 4.550 -0.002 0.000 0.326 4 Y C 0.935 176.857 175.900 0.037 0.000 1.167 4 Y CA -0.450 57.662 58.100 0.021 0.000 1.246 4 Y CB 1.588 40.048 38.460 -0.000 0.000 1.347 4 Y HN 0.547 nan 8.280 nan 0.000 0.515 5 T N -2.454 112.230 114.554 0.216 0.000 2.902 5 T HA 0.155 4.504 4.350 -0.001 0.000 0.280 5 T C 0.594 175.390 174.700 0.160 0.000 0.992 5 T CA -0.517 61.680 62.100 0.162 0.000 1.015 5 T CB 0.584 69.525 68.868 0.123 0.000 1.044 5 T HN 0.588 nan 8.240 nan 0.000 0.520 6 F N 1.359 121.332 119.950 0.037 0.000 2.161 6 F HA -0.005 4.522 4.527 -0.001 0.000 0.300 6 F C 2.473 178.276 175.800 0.005 0.000 1.089 6 F CA 1.806 59.814 58.000 0.013 0.000 1.282 6 F CB -0.263 38.733 39.000 -0.007 0.000 1.010 6 F HN 0.756 nan 8.300 nan 0.000 0.485 7 K N 0.436 120.861 120.400 0.042 0.000 2.044 7 K HA -0.262 4.057 4.320 -0.001 0.000 0.210 7 K C 1.962 178.477 176.600 -0.143 0.000 1.049 7 K CA 2.245 58.498 56.287 -0.055 0.000 0.927 7 K CB -0.307 32.213 32.500 0.033 0.000 0.713 7 K HN 0.433 nan 8.250 nan 0.000 0.443 8 E N 0.519 120.670 120.200 -0.081 0.000 2.072 8 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 8 E C 2.157 178.624 176.600 -0.222 0.000 0.985 8 E CA 1.169 57.512 56.400 -0.096 0.000 0.801 8 E CB -0.064 29.653 29.700 0.028 0.000 0.750 8 E HN 0.315 nan 8.360 nan 0.000 0.452 9 L N 1.006 122.067 121.223 -0.270 0.000 2.017 9 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 9 L C 2.670 179.310 176.870 -0.382 0.000 1.073 9 L CA 1.312 55.951 54.840 -0.336 0.000 0.745 9 L CB -0.418 41.471 42.059 -0.282 0.000 0.894 9 L HN 0.069 nan 8.230 nan 0.000 0.432 10 K N 0.487 120.554 120.400 -0.555 0.000 2.057 10 K HA -0.227 4.092 4.320 -0.001 0.000 0.207 10 K C 2.361 178.814 176.600 -0.246 0.000 1.049 10 K CA 1.263 57.277 56.287 -0.456 0.000 0.931 10 K CB -0.057 32.104 32.500 -0.565 0.000 0.714 10 K HN 0.092 nan 8.250 nan 0.000 0.440 11 R N 0.231 120.605 120.500 -0.210 0.000 2.091 11 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 11 R C 2.044 178.265 176.300 -0.130 0.000 1.136 11 R CA 1.485 57.503 56.100 -0.136 0.000 0.959 11 R CB -0.359 29.875 30.300 -0.109 0.000 0.856 11 R HN 0.290 nan 8.270 nan 0.000 0.437 12 A N 0.326 123.046 122.820 -0.167 0.000 2.019 12 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 12 A C 2.083 179.596 177.584 -0.117 0.000 1.164 12 A CA 1.876 53.821 52.037 -0.153 0.000 0.644 12 A CB -0.845 18.026 19.000 -0.215 0.000 0.805 12 A HN 0.669 nan 8.150 nan 0.000 0.449 13 T N -2.716 111.766 114.554 -0.119 0.000 3.051 13 T HA -0.027 4.322 4.350 -0.001 0.000 0.269 13 T C 1.416 176.082 174.700 -0.056 0.000 1.127 13 T CA 1.259 63.311 62.100 -0.080 0.000 1.107 13 T CB -0.153 68.667 68.868 -0.080 0.000 0.898 13 T HN 0.389 nan 8.240 nan 0.000 0.517 14 K N 0.734 121.097 120.400 -0.063 0.000 2.393 14 K HA 0.226 4.545 4.320 -0.001 0.000 0.193 14 K C 0.993 177.570 176.600 -0.039 0.000 1.026 14 K CA -0.004 56.256 56.287 -0.044 0.000 1.064 14 K CB 0.172 32.645 32.500 -0.045 0.000 0.833 14 K HN 0.574 nan 8.250 nan 0.000 0.521 15 Q N 1.184 120.956 119.800 -0.047 0.000 2.524 15 Q HA -0.018 4.321 4.340 -0.001 0.000 0.246 15 Q C -0.659 175.324 176.000 -0.029 0.000 1.063 15 Q CA 0.208 55.986 55.803 -0.042 0.000 0.945 15 Q CB 0.400 29.106 28.738 -0.054 0.000 1.292 15 Q HN -0.011 nan 8.270 nan 0.000 0.518 16 D N 0.354 120.740 120.400 -0.025 0.000 2.371 16 D HA 0.019 4.658 4.640 -0.001 0.000 0.256 16 D C 0.307 176.598 176.300 -0.016 0.000 1.193 16 D CA 0.561 54.551 54.000 -0.017 0.000 0.881 16 D CB 0.891 41.682 40.800 -0.015 0.000 1.143 16 D HN 0.363 nan 8.370 nan 0.000 0.473 17 T N 1.643 116.193 114.554 -0.007 0.000 3.069 17 T HA -0.010 4.339 4.350 -0.001 0.000 0.252 17 T C 1.726 176.427 174.700 0.003 0.000 1.053 17 T CA 0.008 62.107 62.100 -0.002 0.000 0.964 17 T CB 0.060 68.934 68.868 0.009 0.000 1.005 17 T HN 0.250 nan 8.240 nan 0.000 0.532 18 V N 1.740 121.654 119.914 0.000 0.000 2.282 18 V HA -0.191 3.928 4.120 -0.001 0.000 0.249 18 V C 2.332 178.427 176.094 0.001 0.000 1.057 18 V CA 2.982 65.284 62.300 0.003 0.000 1.032 18 V CB -0.888 30.935 31.823 0.001 0.000 0.645 18 V HN 0.656 nan 8.190 nan 0.000 0.447 19 S N 0.890 116.586 115.700 -0.006 0.000 2.359 19 S HA -0.062 4.407 4.470 -0.001 0.000 0.224 19 S C 0.767 175.362 174.600 -0.009 0.000 1.035 19 S CA 0.872 59.066 58.200 -0.011 0.000 1.018 19 S CB -0.770 62.418 63.200 -0.020 0.000 0.876 19 S HN 0.428 nan 8.310 nan 0.000 0.448 20 L N 3.062 124.279 121.223 -0.010 0.000 2.456 20 L HA 0.341 4.680 4.340 -0.001 0.000 0.272 20 L C -2.353 174.534 176.870 0.028 0.000 1.189 20 L CA -2.210 52.624 54.840 -0.010 0.000 0.846 20 L CB -1.069 40.981 42.059 -0.015 0.000 1.111 20 L HN 0.013 nan 8.230 nan 0.000 0.475 21 P HA 0.077 nan 4.420 nan 0.000 0.268 21 P C -0.717 176.668 177.300 0.142 0.000 1.204 21 P CA -0.129 63.031 63.100 0.101 0.000 0.768 21 P CB 0.364 32.154 31.700 0.151 0.000 0.842 22 K N 3.149 123.611 120.400 0.103 0.000 2.205 22 K HA 0.457 4.776 4.320 -0.001 0.000 0.279 22 K C -0.201 176.456 176.600 0.095 0.000 1.027 22 K CA -0.338 56.006 56.287 0.095 0.000 0.932 22 K CB 0.774 33.309 32.500 0.059 0.000 1.032 22 K HN 0.488 nan 8.250 nan 0.000 0.466 23 L N 2.547 123.829 121.223 0.100 0.000 2.408 23 L HA 0.398 4.737 4.340 -0.001 0.000 0.268 23 L C -0.310 176.631 176.870 0.118 0.000 0.986 23 L CA -0.876 54.020 54.840 0.095 0.000 0.820 23 L CB 2.162 44.258 42.059 0.063 0.000 1.303 23 L HN 0.328 nan 8.230 nan 0.000 0.411 24 K N 2.517 122.972 120.400 0.092 0.000 2.253 24 K HA 0.539 4.858 4.320 -0.001 0.000 0.277 24 K C -1.067 175.715 176.600 0.303 0.000 1.053 24 K CA -0.399 55.966 56.287 0.129 0.000 0.892 24 K CB 1.789 34.117 32.500 -0.287 0.000 1.102 24 K HN 0.211 nan 8.250 nan 0.000 0.469 25 V N 2.763 122.948 119.914 0.452 0.000 2.409 25 V HA 0.463 4.582 4.120 -0.001 0.000 0.291 25 V C -0.287 176.089 176.094 0.469 0.000 1.020 25 V CA -0.998 61.540 62.300 0.397 0.000 0.848 25 V CB 1.464 33.419 31.823 0.220 0.000 0.990 25 V HN 0.868 nan 8.190 nan 0.000 0.430 26 A N 5.213 128.333 122.820 0.500 0.000 2.301 26 A HA 0.871 5.191 4.320 -0.001 0.000 0.312 26 A C -0.934 176.850 177.584 0.333 0.000 1.182 26 A CA -0.404 51.938 52.037 0.509 0.000 0.826 26 A CB 1.028 20.463 19.000 0.724 0.000 1.134 26 A HN 0.858 nan 8.150 nan 0.000 0.501 27 L N 2.971 124.324 121.223 0.217 0.000 2.376 27 L HA 0.767 5.106 4.340 -0.001 0.000 0.275 27 L C -1.656 175.230 176.870 0.027 0.000 0.987 27 L CA -0.305 54.599 54.840 0.107 0.000 0.828 27 L CB 1.449 43.544 42.059 0.060 0.000 1.249 27 L HN 0.514 nan 8.230 nan 0.000 0.409 28 L N 5.321 126.568 121.223 0.041 0.000 2.409 28 L HA 0.977 5.316 4.340 -0.001 0.000 0.272 28 L C 0.224 177.072 176.870 -0.037 0.000 0.980 28 L CA -0.109 54.714 54.840 -0.027 0.000 0.826 28 L CB 1.902 43.949 42.059 -0.020 0.000 1.268 28 L HN 0.722 nan 8.230 nan 0.000 0.407 29 G N 0.099 108.852 108.800 -0.078 0.000 2.694 29 G HA2 0.526 4.485 3.960 -0.001 0.000 0.290 29 G HA3 0.526 4.485 3.960 -0.001 0.000 0.290 29 G C -0.817 173.946 174.900 -0.228 0.000 1.386 29 G CA -0.406 44.626 45.100 -0.113 0.000 0.872 29 G HN 0.608 nan 8.290 nan 0.000 0.475 30 D N -1.410 118.825 120.400 -0.274 0.000 2.368 30 D HA 0.161 4.800 4.640 -0.001 0.000 0.218 30 D C 1.089 177.192 176.300 -0.328 0.000 1.112 30 D CA 0.353 54.166 54.000 -0.311 0.000 0.834 30 D CB 0.297 41.021 40.800 -0.127 0.000 0.953 30 D HN 0.510 nan 8.370 nan 0.000 0.505 31 T N -3.755 110.639 114.554 -0.265 0.000 2.858 31 T HA 0.741 5.090 4.350 -0.001 0.000 0.285 31 T C -0.076 174.703 174.700 0.132 0.000 1.052 31 T CA -0.918 61.178 62.100 -0.006 0.000 1.009 31 T CB 1.271 70.095 68.868 -0.075 0.000 1.241 31 T HN 0.099 nan 8.240 nan 0.000 0.542 32 A N 1.259 124.227 122.820 0.247 0.000 2.451 32 A HA 0.492 4.811 4.320 -0.001 0.000 0.266 32 A C 1.254 178.900 177.584 0.103 0.000 1.119 32 A CA 0.029 52.181 52.037 0.191 0.000 0.786 32 A CB -0.489 18.558 19.000 0.079 0.000 1.061 32 A HN 1.099 nan 8.150 nan 0.000 0.503 33 T N -0.058 114.545 114.554 0.082 0.000 3.092 33 T HA 0.130 4.479 4.350 -0.001 0.000 0.258 33 T C 1.071 175.794 174.700 0.038 0.000 1.031 33 T CA 0.155 62.298 62.100 0.071 0.000 0.925 33 T CB 0.045 68.948 68.868 0.059 0.000 1.036 33 T HN 0.594 nan 8.240 nan 0.000 0.544 34 Q N 1.307 121.119 119.800 0.019 0.000 2.084 34 Q HA 0.178 4.517 4.340 -0.001 0.000 0.202 34 Q C 2.068 178.096 176.000 0.047 0.000 0.978 34 Q CA 1.350 57.160 55.803 0.012 0.000 0.844 34 Q CB -0.593 28.143 28.738 -0.003 0.000 0.898 34 Q HN 0.476 nan 8.270 nan 0.000 0.426 35 L N -0.428 120.810 121.223 0.025 0.000 2.109 35 L HA -0.099 4.240 4.340 -0.001 0.000 0.207 35 L C 2.113 179.063 176.870 0.134 0.000 1.086 35 L CA 0.438 55.305 54.840 0.044 0.000 0.760 35 L CB -0.421 41.498 42.059 -0.234 0.000 0.910 35 L HN 0.269 nan 8.230 nan 0.000 0.437 36 L N 0.508 121.771 121.223 0.067 0.000 2.083 36 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 36 L C 2.638 179.562 176.870 0.090 0.000 1.083 36 L CA 1.912 56.796 54.840 0.073 0.000 0.752 36 L CB -0.691 41.399 42.059 0.051 0.000 0.899 36 L HN 0.135 nan 8.230 nan 0.000 0.433 37 A N -1.475 121.390 122.820 0.075 0.000 1.883 37 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 37 A C 2.279 179.902 177.584 0.065 0.000 1.186 37 A CA 2.408 54.477 52.037 0.053 0.000 0.624 37 A CB -1.282 17.726 19.000 0.014 0.000 0.822 37 A HN 0.493 nan 8.150 nan 0.000 0.444 38 T N 0.331 114.946 114.554 0.102 0.000 2.684 38 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 38 T C 2.224 176.948 174.700 0.040 0.000 1.036 38 T CA 1.826 63.973 62.100 0.079 0.000 1.148 38 T CB -0.528 68.431 68.868 0.152 0.000 0.863 38 T HN 0.622 nan 8.240 nan 0.000 0.436 39 A N 1.028 123.947 122.820 0.165 0.000 1.877 39 A HA -0.045 4.274 4.320 -0.001 0.000 0.216 39 A C 2.308 179.917 177.584 0.043 0.000 1.186 39 A CA 1.352 53.458 52.037 0.115 0.000 0.620 39 A CB -0.827 18.325 19.000 0.253 0.000 0.822 39 A HN 0.526 nan 8.150 nan 0.000 0.443 40 I N -0.615 119.987 120.570 0.053 0.000 2.226 40 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 40 I C 2.572 178.696 176.117 0.012 0.000 1.100 40 I CA 1.929 63.247 61.300 0.031 0.000 1.374 40 I CB -0.220 37.803 38.000 0.039 0.000 1.057 40 I HN 0.406 nan 8.210 nan 0.000 0.413 41 K N 1.029 121.436 120.400 0.012 0.000 2.026 41 K HA -0.146 4.173 4.320 -0.001 0.000 0.208 41 K C 2.131 178.716 176.600 -0.025 0.000 1.048 41 K CA 1.649 57.940 56.287 0.007 0.000 0.929 41 K CB -0.396 32.110 32.500 0.011 0.000 0.713 41 K HN 0.348 nan 8.250 nan 0.000 0.439 42 G N 0.670 109.429 108.800 -0.068 0.000 2.418 42 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.217 42 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.217 42 G C 1.370 176.185 174.900 -0.142 0.000 1.158 42 G CA 1.024 46.048 45.100 -0.127 0.000 0.771 42 G HN 0.448 nan 8.290 nan 0.000 0.545 43 E N 0.545 120.688 120.200 -0.095 0.000 2.077 43 E HA -0.007 4.343 4.350 -0.001 0.000 0.193 43 E C 2.595 179.186 176.600 -0.014 0.000 0.989 43 E CA 1.523 57.886 56.400 -0.062 0.000 0.800 43 E CB -0.766 28.944 29.700 0.018 0.000 0.746 43 E HN 0.250 nan 8.360 nan 0.000 0.452 44 G N 0.529 109.339 108.800 0.017 0.000 2.418 44 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 44 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 44 G C 1.653 176.609 174.900 0.093 0.000 1.158 44 G CA 0.937 46.096 45.100 0.098 0.000 0.771 44 G HN 0.310 nan 8.290 nan 0.000 0.545 45 I N 0.378 120.954 120.570 0.009 0.000 2.226 45 I HA -0.107 4.062 4.170 -0.001 0.000 0.245 45 I C 2.529 178.601 176.117 -0.076 0.000 1.100 45 I CA 0.688 61.971 61.300 -0.029 0.000 1.374 45 I CB -0.150 37.818 38.000 -0.053 0.000 1.057 45 I HN 0.107 nan 8.210 nan 0.000 0.413 46 L N 0.068 121.218 121.223 -0.121 0.000 2.362 46 L HA -0.141 4.198 4.340 -0.001 0.000 0.219 46 L C 1.992 178.830 176.870 -0.053 0.000 1.134 46 L CA 0.684 55.437 54.840 -0.146 0.000 0.807 46 L CB -0.335 41.503 42.059 -0.367 0.000 0.927 46 L HN 0.129 nan 8.230 nan 0.000 0.447 47 R N 0.380 120.864 120.500 -0.026 0.000 2.466 47 R HA 0.093 4.433 4.340 -0.001 0.000 0.279 47 R C 0.056 176.187 176.300 -0.281 0.000 0.976 47 R CA -0.002 56.080 56.100 -0.031 0.000 1.081 47 R CB -0.213 30.163 30.300 0.127 0.000 1.215 47 R HN 0.186 nan 8.270 nan 0.000 0.546 48 N N -0.678 117.868 118.700 -0.256 0.000 2.815 48 N HA -0.231 4.508 4.740 -0.001 0.000 0.249 48 N C -1.517 173.674 175.510 -0.532 0.000 1.114 48 N CA 0.890 53.725 53.050 -0.359 0.000 0.717 48 N CB -1.592 36.674 38.487 -0.367 0.000 1.074 48 N HN 0.199 nan 8.380 nan 0.000 0.555 49 Y N 0.696 120.986 120.300 -0.017 0.000 2.376 49 Y HA 0.336 4.885 4.550 -0.002 0.000 0.340 49 Y C 0.917 176.813 175.900 -0.007 0.000 0.965 49 Y CA -1.059 57.036 58.100 -0.009 0.000 1.078 49 Y CB 1.069 39.520 38.460 -0.016 0.000 1.193 49 Y HN 0.001 nan 8.280 nan 0.000 0.452 50 N N 4.081 122.876 118.700 0.157 0.000 2.482 50 N HA 0.190 4.929 4.740 -0.001 0.000 0.242 50 N C -1.086 174.494 175.510 0.116 0.000 1.100 50 N CA -0.299 52.811 53.050 0.101 0.000 0.946 50 N CB 0.243 38.773 38.487 0.071 0.000 1.227 50 N HN 0.439 nan 8.380 nan 0.000 0.508 51 I N 2.749 123.382 120.570 0.106 0.000 2.379 51 I HA 0.048 4.217 4.170 -0.001 0.000 0.290 51 I C 0.669 176.857 176.117 0.120 0.000 1.063 51 I CA 0.019 61.382 61.300 0.105 0.000 1.351 51 I CB 0.701 38.748 38.000 0.079 0.000 1.410 51 I HN 0.608 nan 8.210 nan 0.000 0.505 52 E N 7.392 127.691 120.200 0.165 0.000 2.044 52 E HA 0.289 4.638 4.350 -0.001 0.000 0.282 52 E C -1.296 175.487 176.600 0.304 0.000 1.031 52 E CA -0.542 55.992 56.400 0.223 0.000 0.824 52 E CB 0.954 30.808 29.700 0.256 0.000 1.076 52 E HN 0.515 nan 8.360 nan 0.000 0.395 53 L N 6.605 127.944 121.223 0.195 0.000 2.276 53 L HA 0.388 4.727 4.340 -0.001 0.000 0.286 53 L C -1.168 175.726 176.870 0.040 0.000 1.024 53 L CA -0.700 54.225 54.840 0.141 0.000 0.826 53 L CB 0.475 42.581 42.059 0.079 0.000 1.211 53 L HN 0.640 nan 8.230 nan 0.000 0.422 54 W N 6.177 127.267 121.300 -0.350 0.000 2.390 54 W HA 0.375 5.034 4.660 -0.001 0.000 0.312 54 W C -0.478 175.875 176.519 -0.276 0.000 1.123 54 W CA -0.402 56.603 57.345 -0.566 0.000 1.202 54 W CB 0.935 29.496 29.460 -1.498 0.000 1.251 54 W HN 0.429 nan 8.180 nan 0.000 0.511 55 E N 4.124 123.760 120.200 -0.939 0.000 2.158 55 E HA 0.522 4.871 4.350 -0.001 0.000 0.271 55 E C -0.353 175.392 176.600 -1.425 0.000 0.911 55 E CA -0.719 55.185 56.400 -0.826 0.000 0.767 55 E CB 1.485 30.921 29.700 -0.441 0.000 1.120 55 E HN 0.579 nan 8.360 nan 0.000 0.405 56 A N 3.919 126.021 122.820 -1.196 0.000 2.425 56 A HA 0.108 4.427 4.320 -0.001 0.000 0.242 56 A C 0.295 177.635 177.584 -0.407 0.000 1.077 56 A CA -0.396 51.131 52.037 -0.850 0.000 0.781 56 A CB 0.354 19.178 19.000 -0.294 0.000 1.020 56 A HN 0.587 nan 8.150 nan 0.000 0.494 57 E N -0.124 119.948 120.200 -0.213 0.000 2.425 57 E HA -0.020 4.329 4.350 -0.001 0.000 0.258 57 E C -0.346 176.241 176.600 -0.022 0.000 1.151 57 E CA 0.131 56.485 56.400 -0.077 0.000 0.958 57 E CB 0.126 29.826 29.700 0.000 0.000 0.968 57 E HN 0.538 nan 8.360 nan 0.000 0.451 58 Y N 2.418 122.671 120.300 -0.079 0.000 2.881 58 Y HA -0.217 4.332 4.550 -0.001 0.000 0.335 58 Y C 0.825 176.702 175.900 -0.038 0.000 1.263 58 Y CA 0.811 58.875 58.100 -0.060 0.000 1.572 58 Y CB -0.161 38.269 38.460 -0.050 0.000 1.237 58 Y HN 0.641 nan 8.280 nan 0.000 0.568 59 N N 3.901 122.198 118.700 -0.671 0.000 2.714 59 N HA -0.248 4.491 4.740 -0.001 0.000 0.253 59 N C -0.828 174.553 175.510 -0.216 0.000 1.024 59 N CA 1.515 54.230 53.050 -0.557 0.000 0.726 59 N CB -0.923 37.077 38.487 -0.811 0.000 0.908 59 N HN 0.876 nan 8.380 nan 0.000 0.542 60 Q N -0.746 118.973 119.800 -0.135 0.000 2.129 60 Q HA 0.202 4.541 4.340 -0.001 0.000 0.274 60 Q C 1.211 177.200 176.000 -0.019 0.000 0.854 60 Q CA -0.193 55.585 55.803 -0.041 0.000 1.123 60 Q CB 0.695 29.441 28.738 0.013 0.000 1.226 60 Q HN 0.270 nan 8.270 nan 0.000 0.454 61 V N 0.490 120.370 119.914 -0.058 0.000 2.233 61 V HA -0.301 3.818 4.120 -0.001 0.000 0.247 61 V C 1.673 177.790 176.094 0.037 0.000 1.050 61 V CA 2.230 64.510 62.300 -0.033 0.000 1.010 61 V CB -0.132 31.634 31.823 -0.094 0.000 0.637 61 V HN 0.369 nan 8.190 nan 0.000 0.444 62 E N -0.011 120.153 120.200 -0.060 0.000 2.077 62 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 62 E C 2.196 178.861 176.600 0.108 0.000 0.989 62 E CA 1.330 57.703 56.400 -0.045 0.000 0.800 62 E CB -0.436 29.121 29.700 -0.238 0.000 0.746 62 E HN 0.504 nan 8.360 nan 0.000 0.452 63 R N 0.922 121.461 120.500 0.066 0.000 2.096 63 R HA -0.189 4.151 4.340 -0.001 0.000 0.240 63 R C 2.058 178.447 176.300 0.149 0.000 1.139 63 R CA 1.748 57.907 56.100 0.099 0.000 0.952 63 R CB -0.343 30.002 30.300 0.075 0.000 0.854 63 R HN 0.114 nan 8.270 nan 0.000 0.436 64 Q N 0.113 119.999 119.800 0.143 0.000 2.083 64 Q HA 0.002 4.341 4.340 -0.001 0.000 0.198 64 Q C 0.918 177.019 176.000 0.168 0.000 0.969 64 Q CA 0.655 56.563 55.803 0.174 0.000 0.838 64 Q CB -0.112 28.731 28.738 0.176 0.000 0.900 64 Q HN 0.320 nan 8.270 nan 0.000 0.436 68 P HA -0.035 nan 4.420 nan 0.000 0.225 68 P C 1.157 178.443 177.300 -0.024 0.000 1.148 68 P CA 1.185 64.167 63.100 -0.197 0.000 0.779 68 P CB 0.166 31.738 31.700 -0.213 0.000 0.780 69 T N -4.506 110.096 114.554 0.080 0.000 3.107 69 T HA 0.099 4.448 4.350 -0.001 0.000 0.249 69 T C 0.840 175.631 174.700 0.150 0.000 1.096 69 T CA -0.207 61.947 62.100 0.090 0.000 1.012 69 T CB -0.840 68.066 68.868 0.062 0.000 0.977 69 T HN 0.115 nan 8.240 nan 0.000 0.527 70 S N 1.272 117.121 115.700 0.248 0.000 2.580 70 S HA 0.087 4.556 4.470 -0.001 0.000 0.266 70 S C 0.684 175.384 174.600 0.166 0.000 1.354 70 S CA -0.393 57.950 58.200 0.238 0.000 1.008 70 S CB 0.522 63.908 63.200 0.311 0.000 0.898 70 S HN 0.188 nan 8.310 nan 0.000 0.555 71 D N 0.292 120.773 120.400 0.134 0.000 2.182 71 D HA -0.126 4.513 4.640 -0.001 0.000 0.201 71 D C 1.390 177.473 176.300 -0.362 0.000 0.986 71 D CA 1.564 55.565 54.000 0.002 0.000 0.847 71 D CB -0.513 40.417 40.800 0.217 0.000 0.942 71 D HN 0.782 nan 8.370 nan 0.000 0.467 72 Y N 0.554 120.577 120.300 -0.461 0.000 2.097 72 Y HA -0.320 4.229 4.550 -0.001 0.000 0.282 72 Y C 1.993 177.611 175.900 -0.470 0.000 1.152 72 Y CA 1.598 59.243 58.100 -0.758 0.000 1.136 72 Y CB -0.738 37.471 38.460 -0.419 0.000 0.975 72 Y HN -0.046 nan 8.280 nan 0.000 0.498 73 Y N 0.668 120.792 120.300 -0.293 0.000 2.242 73 Y HA -0.219 4.330 4.550 -0.002 0.000 0.291 73 Y C 2.518 178.253 175.900 -0.275 0.000 1.137 73 Y CA 1.616 59.520 58.100 -0.326 0.000 1.181 73 Y CB -0.600 37.812 38.460 -0.079 0.000 0.989 73 Y HN 0.215 nan 8.280 nan 0.000 0.527 74 Q N -0.977 118.785 119.800 -0.062 0.000 2.226 74 Q HA -0.191 4.148 4.340 -0.001 0.000 0.204 74 Q C 2.105 178.026 176.000 -0.133 0.000 0.975 74 Q CA 1.117 56.875 55.803 -0.075 0.000 0.866 74 Q CB -0.757 27.961 28.738 -0.033 0.000 0.915 74 Q HN 0.559 nan 8.270 nan 0.000 0.440 75 F N 2.011 121.698 119.950 -0.440 0.000 2.325 75 F HA -0.045 4.481 4.527 -0.001 0.000 0.299 75 F C 0.131 175.736 175.800 -0.324 0.000 1.090 75 F CA 0.762 58.493 58.000 -0.449 0.000 1.392 75 F CB 0.198 38.739 39.000 -0.764 0.000 1.053 75 F HN 0.076 nan 8.300 nan 0.000 0.521 76 E N 1.011 120.949 120.200 -0.436 0.000 2.240 76 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 76 E C -2.317 173.990 176.600 -0.489 0.000 1.385 76 E CA 0.053 56.210 56.400 -0.406 0.000 0.686 76 E CB -1.644 27.877 29.700 -0.298 0.000 1.125 76 E HN 0.292 nan 8.360 nan 0.000 0.359 77 P HA 0.010 nan 4.420 nan 0.000 0.274 77 P C 0.174 177.381 177.300 -0.155 0.000 1.231 77 P CA -0.111 62.862 63.100 -0.211 0.000 0.790 77 P CB 0.797 32.596 31.700 0.165 0.000 0.951 78 D N 0.232 120.565 120.400 -0.111 0.000 2.162 78 D HA -0.038 4.601 4.640 -0.001 0.000 0.203 78 D C 0.110 176.165 176.300 -0.409 0.000 0.967 78 D CA 1.789 55.666 54.000 -0.204 0.000 0.840 78 D CB -0.016 40.725 40.800 -0.097 0.000 0.972 78 D HN 0.443 nan 8.370 nan 0.000 0.482 79 Y N -0.549 119.770 120.300 0.031 0.000 2.477 79 Y HA 0.339 4.888 4.550 -0.002 0.000 0.347 79 Y C -0.136 175.843 175.900 0.132 0.000 0.981 79 Y CA -0.746 57.382 58.100 0.046 0.000 1.033 79 Y CB 2.372 40.822 38.460 -0.015 0.000 1.245 79 Y HN -0.432 nan 8.280 nan 0.000 0.455 80 T N 4.670 119.390 114.554 0.276 0.000 2.833 80 T HA 0.546 4.895 4.350 -0.001 0.000 0.297 80 T C -0.527 174.280 174.700 0.177 0.000 1.015 80 T CA -0.450 61.821 62.100 0.285 0.000 0.963 80 T CB 0.084 69.144 68.868 0.321 0.000 0.955 80 T HN 0.350 nan 8.240 nan 0.000 0.449 81 I N 4.720 125.372 120.570 0.135 0.000 2.321 81 I HA 0.410 4.579 4.170 -0.001 0.000 0.291 81 I C -0.316 175.813 176.117 0.019 0.000 0.998 81 I CA -0.842 60.463 61.300 0.009 0.000 1.227 81 I CB 1.027 39.024 38.000 -0.005 0.000 1.368 81 I HN 0.343 nan 8.210 nan 0.000 0.466 82 I N 6.783 127.319 120.570 -0.057 0.000 2.354 82 I HA 0.269 4.438 4.170 -0.001 0.000 0.292 82 I C -0.692 175.372 176.117 -0.089 0.000 0.989 82 I CA -0.467 60.784 61.300 -0.083 0.000 1.188 82 I CB 1.568 39.540 38.000 -0.046 0.000 1.342 82 I HN 0.410 nan 8.210 nan 0.000 0.457 83 F N 6.852 126.704 119.950 -0.163 0.000 2.451 83 F HA 0.403 4.929 4.527 -0.001 0.000 0.367 83 F C -0.164 175.547 175.800 -0.150 0.000 1.100 83 F CA -1.084 56.889 58.000 -0.044 0.000 1.171 83 F CB 0.016 39.044 39.000 0.046 0.000 1.405 83 F HN 0.427 nan 8.300 nan 0.000 0.482 84 H N 2.420 121.483 119.070 -0.012 0.000 2.668 84 H HA 0.371 4.926 4.556 -0.002 0.000 0.303 84 H C 0.374 175.658 175.328 -0.073 0.000 1.074 84 H CA -0.353 55.666 56.048 -0.048 0.000 1.406 84 H CB 0.993 30.855 29.762 0.166 0.000 1.442 84 H HN 0.509 nan 8.280 nan 0.000 0.482 85 S N 2.139 117.798 115.700 -0.067 0.000 2.586 85 S HA 0.053 4.522 4.470 -0.001 0.000 0.274 85 S C 1.259 176.012 174.600 0.256 0.000 1.281 85 S CA -0.749 57.420 58.200 -0.051 0.000 1.035 85 S CB 1.723 64.746 63.200 -0.295 0.000 0.962 85 S HN 0.657 nan 8.310 nan 0.000 0.512 86 T N 1.402 116.158 114.554 0.337 0.000 2.759 86 T HA -0.163 4.186 4.350 -0.001 0.000 0.269 86 T C 1.473 176.280 174.700 0.178 0.000 1.042 86 T CA 2.199 64.536 62.100 0.394 0.000 1.140 86 T CB -0.757 68.319 68.868 0.347 0.000 0.864 86 T HN 0.894 nan 8.240 nan 0.000 0.455 87 H N 1.170 120.206 119.070 -0.056 0.000 2.352 87 H HA -0.029 4.526 4.556 -0.002 0.000 0.299 87 H C 2.210 177.464 175.328 -0.122 0.000 1.097 87 H CA 1.397 57.325 56.048 -0.200 0.000 1.311 87 H CB 0.189 29.720 29.762 -0.385 0.000 1.377 87 H HN 0.015 nan 8.280 nan 0.000 0.504 88 K N -0.017 120.436 120.400 0.090 0.000 2.167 88 K HA -0.060 4.259 4.320 -0.001 0.000 0.203 88 K C 2.166 178.792 176.600 0.042 0.000 1.052 88 K CA 0.510 56.840 56.287 0.073 0.000 0.956 88 K CB -0.398 32.137 32.500 0.059 0.000 0.735 88 K HN 0.271 nan 8.250 nan 0.000 0.451 89 L N 1.194 122.472 121.223 0.092 0.000 2.093 89 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 89 L C 2.129 179.075 176.870 0.127 0.000 1.085 89 L CA 1.063 55.988 54.840 0.141 0.000 0.755 89 L CB -0.508 41.671 42.059 0.200 0.000 0.904 89 L HN 0.009 nan 8.230 nan 0.000 0.435 90 L N -0.146 120.977 121.223 -0.168 0.000 2.042 90 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 90 L C 2.518 179.199 176.870 -0.316 0.000 1.076 90 L CA 2.219 56.607 54.840 -0.752 0.000 0.749 90 L CB -0.664 40.828 42.059 -0.945 0.000 0.893 90 L HN 0.542 nan 8.230 nan 0.000 0.432 91 E N -0.529 119.557 120.200 -0.189 0.000 2.051 91 E HA -0.311 4.038 4.350 -0.001 0.000 0.192 91 E C 2.299 178.891 176.600 -0.014 0.000 0.991 91 E CA 1.490 57.840 56.400 -0.082 0.000 0.799 91 E CB -0.193 29.494 29.700 -0.021 0.000 0.748 91 E HN 0.494 nan 8.360 nan 0.000 0.449 92 K N 0.099 120.511 120.400 0.019 0.000 2.044 92 K HA -0.272 4.047 4.320 -0.001 0.000 0.210 92 K C 2.461 179.106 176.600 0.075 0.000 1.049 92 K CA 1.878 58.191 56.287 0.043 0.000 0.927 92 K CB -0.413 32.115 32.500 0.047 0.000 0.713 92 K HN 0.330 nan 8.250 nan 0.000 0.443 93 H N 0.397 119.486 119.070 0.031 0.000 2.353 93 H HA -0.096 4.459 4.556 -0.002 0.000 0.300 93 H C 1.965 177.312 175.328 0.032 0.000 1.090 93 H CA 2.035 58.131 56.048 0.079 0.000 1.327 93 H CB -0.107 29.794 29.762 0.233 0.000 1.383 93 H HN 0.390 nan 8.280 nan 0.000 0.508 94 S N 0.295 116.011 115.700 0.026 0.000 2.447 94 S HA -0.047 4.422 4.470 -0.001 0.000 0.233 94 S C 2.208 176.766 174.600 -0.071 0.000 1.006 94 S CA 0.823 59.003 58.200 -0.035 0.000 0.957 94 S CB -0.535 62.652 63.200 -0.023 0.000 0.773 94 S HN 0.437 nan 8.310 nan 0.000 0.507 95 L N 1.776 122.966 121.223 -0.054 0.000 2.558 95 L HA 0.307 4.646 4.340 -0.001 0.000 0.225 95 L C 0.593 177.434 176.870 -0.048 0.000 1.128 95 L CA -0.235 54.581 54.840 -0.040 0.000 0.868 95 L CB 0.157 42.205 42.059 -0.019 0.000 1.006 95 L HN 0.363 nan 8.230 nan 0.000 0.454 96 V N -3.214 116.654 119.914 -0.077 0.000 2.994 96 V HA 0.532 4.651 4.120 -0.001 0.000 0.318 96 V C -0.170 175.877 176.094 -0.079 0.000 1.085 96 V CA -1.216 61.046 62.300 -0.064 0.000 0.998 96 V CB 1.507 33.301 31.823 -0.048 0.000 1.063 96 V HN 0.216 nan 8.190 nan 0.000 0.447 97 N N 1.524 120.197 118.700 -0.044 0.000 2.327 97 N HA 0.153 4.892 4.740 -0.001 0.000 0.257 97 N C 1.317 176.812 175.510 -0.024 0.000 1.281 97 N CA 0.070 53.102 53.050 -0.029 0.000 0.942 97 N CB 0.210 38.691 38.487 -0.010 0.000 1.199 97 N HN 0.948 nan 8.380 nan 0.000 0.532 98 S N -1.056 114.647 115.700 0.006 0.000 2.383 98 S HA -0.264 4.205 4.470 -0.001 0.000 0.229 98 S C 1.089 175.703 174.600 0.022 0.000 1.030 98 S CA 1.390 59.607 58.200 0.028 0.000 1.002 98 S CB -0.869 62.365 63.200 0.056 0.000 0.829 98 S HN 0.745 nan 8.310 nan 0.000 0.467 99 D N 2.106 122.514 120.400 0.015 0.000 2.123 99 D HA -0.118 4.521 4.640 -0.001 0.000 0.196 99 D C 1.688 177.998 176.300 0.016 0.000 0.992 99 D CA 0.868 54.876 54.000 0.014 0.000 0.833 99 D CB -0.679 40.127 40.800 0.011 0.000 0.954 99 D HN 0.409 nan 8.370 nan 0.000 0.455 100 L N -0.047 121.181 121.223 0.009 0.000 2.179 100 L HA 0.056 4.395 4.340 -0.001 0.000 0.208 100 L C 2.545 179.432 176.870 0.028 0.000 1.096 100 L CA 1.157 56.005 54.840 0.013 0.000 0.779 100 L CB -0.867 41.193 42.059 0.002 0.000 0.922 100 L HN 0.054 nan 8.230 nan 0.000 0.443 101 Q N -0.747 119.064 119.800 0.018 0.000 2.124 101 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 101 Q C 1.732 177.808 176.000 0.128 0.000 0.977 101 Q CA 1.075 56.922 55.803 0.073 0.000 0.850 101 Q CB -0.196 28.541 28.738 -0.001 0.000 0.901 101 Q HN 0.471 nan 8.270 nan 0.000 0.429 102 N N 0.724 119.472 118.700 0.080 0.000 2.443 102 N HA -0.110 4.629 4.740 -0.001 0.000 0.184 102 N C 0.626 176.175 175.510 0.065 0.000 1.037 102 N CA 1.062 54.154 53.050 0.069 0.000 0.896 102 N CB 0.170 38.679 38.487 0.035 0.000 0.959 102 N HN 0.233 nan 8.380 nan 0.000 0.442 103 K N -0.151 120.283 120.400 0.058 0.000 2.373 103 K HA 0.121 4.441 4.320 -0.001 0.000 0.202 103 K C 1.276 177.902 176.600 0.042 0.000 1.025 103 K CA -0.276 56.037 56.287 0.044 0.000 1.115 103 K CB 0.545 33.065 32.500 0.033 0.000 0.858 103 K HN -0.055 nan 8.250 nan 0.000 0.525 104 L N 1.569 122.830 121.223 0.063 0.000 1.970 104 L HA -0.202 4.137 4.340 -0.001 0.000 0.212 104 L C 2.223 179.088 176.870 -0.009 0.000 1.071 104 L CA 2.098 56.969 54.840 0.052 0.000 0.751 104 L CB -0.528 41.600 42.059 0.115 0.000 0.889 104 L HN 0.186 nan 8.230 nan 0.000 0.432 105 A N -0.925 121.875 122.820 -0.034 0.000 1.877 105 A HA -0.239 4.080 4.320 -0.001 0.000 0.216 105 A C 2.023 179.592 177.584 -0.026 0.000 1.186 105 A CA 1.949 53.945 52.037 -0.067 0.000 0.620 105 A CB -0.973 17.976 19.000 -0.085 0.000 0.822 105 A HN 0.572 nan 8.150 nan 0.000 0.443 106 D N 0.278 120.677 120.400 -0.001 0.000 2.123 106 D HA -0.141 4.498 4.640 -0.001 0.000 0.196 106 D C 1.387 177.697 176.300 0.016 0.000 0.992 106 D CA 1.549 55.554 54.000 0.008 0.000 0.833 106 D CB -0.438 40.373 40.800 0.018 0.000 0.954 106 D HN 0.397 nan 8.370 nan 0.000 0.455 107 D N -0.034 120.380 120.400 0.022 0.000 2.117 107 D HA -0.130 4.509 4.640 -0.001 0.000 0.197 107 D C 2.116 178.454 176.300 0.062 0.000 0.987 107 D CA 0.707 54.730 54.000 0.038 0.000 0.829 107 D CB -0.094 40.724 40.800 0.029 0.000 0.961 107 D HN 0.025 nan 8.370 nan 0.000 0.460 108 R N 0.808 121.332 120.500 0.039 0.000 2.075 108 R HA 0.008 4.347 4.340 -0.001 0.000 0.232 108 R C 2.285 178.652 176.300 0.112 0.000 1.126 108 R CA 0.901 57.047 56.100 0.077 0.000 0.963 108 R CB -0.856 29.449 30.300 0.008 0.000 0.858 108 R HN 0.183 nan 8.270 nan 0.000 0.435 109 L N 0.371 121.614 121.223 0.033 0.000 2.083 109 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 109 L C 1.830 178.680 176.870 -0.035 0.000 1.083 109 L CA 1.559 56.386 54.840 -0.023 0.000 0.752 109 L CB -0.552 41.484 42.059 -0.040 0.000 0.899 109 L HN 0.201 nan 8.230 nan 0.000 0.433 110 D N -0.293 120.116 120.400 0.014 0.000 2.123 110 D HA -0.236 4.403 4.640 -0.001 0.000 0.196 110 D C 1.893 178.209 176.300 0.028 0.000 0.992 110 D CA 1.278 55.287 54.000 0.015 0.000 0.833 110 D CB -0.218 40.609 40.800 0.045 0.000 0.954 110 D HN 0.227 nan 8.370 nan 0.000 0.455 111 F N 1.281 121.219 119.950 -0.020 0.000 2.134 111 F HA -0.182 4.345 4.527 -0.001 0.000 0.299 111 F C 2.137 177.922 175.800 -0.025 0.000 1.097 111 F CA 0.892 58.900 58.000 0.012 0.000 1.264 111 F CB -0.311 38.734 39.000 0.075 0.000 1.001 111 F HN -0.212 nan 8.300 nan 0.000 0.479 112 V N 1.260 121.089 119.914 -0.142 0.000 2.287 112 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 112 V C 2.541 178.298 176.094 -0.562 0.000 1.053 112 V CA 2.294 64.359 62.300 -0.392 0.000 1.027 112 V CB -0.732 30.831 31.823 -0.432 0.000 0.646 112 V HN 0.291 nan 8.190 nan 0.000 0.447 113 R N -0.492 119.745 120.500 -0.437 0.000 2.096 113 R HA -0.113 4.226 4.340 -0.001 0.000 0.235 113 R C 2.313 178.376 176.300 -0.394 0.000 1.127 113 R CA 1.259 57.086 56.100 -0.455 0.000 0.968 113 R CB -0.546 29.630 30.300 -0.208 0.000 0.861 113 R HN 0.368 nan 8.270 nan 0.000 0.440 114 L N 1.496 122.529 121.223 -0.316 0.000 2.012 114 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 114 L C 2.183 178.871 176.870 -0.303 0.000 1.073 114 L CA 1.642 56.331 54.840 -0.251 0.000 0.748 114 L CB -0.823 41.119 42.059 -0.195 0.000 0.891 114 L HN 0.196 nan 8.230 nan 0.000 0.431 115 L N 0.282 121.213 121.223 -0.486 0.000 2.012 115 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 115 L C 2.700 179.420 176.870 -0.250 0.000 1.073 115 L CA 2.166 56.783 54.840 -0.371 0.000 0.748 115 L CB -1.124 40.653 42.059 -0.469 0.000 0.891 115 L HN 0.338 nan 8.230 nan 0.000 0.431 116 C N -0.027 119.017 119.300 -0.426 0.000 2.425 116 C HA -0.104 4.355 4.460 -0.001 0.000 0.277 116 C C 2.599 177.421 174.990 -0.281 0.000 1.280 116 C CA 0.756 59.475 59.018 -0.498 0.000 1.744 116 C CB -1.043 25.916 27.740 -1.300 0.000 1.989 116 C HN 0.577 nan 8.230 nan 0.000 0.491 117 E N 0.454 120.518 120.200 -0.227 0.000 2.268 117 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 117 E C 2.246 178.842 176.600 -0.006 0.000 0.995 117 E CA 0.787 57.159 56.400 -0.047 0.000 0.836 117 E CB -0.343 29.338 29.700 -0.032 0.000 0.763 117 E HN 0.648 nan 8.360 nan 0.000 0.491 118 Q N -0.259 119.538 119.800 -0.006 0.000 2.124 118 Q HA -0.074 4.266 4.340 -0.001 0.000 0.202 118 Q C 1.317 177.361 176.000 0.073 0.000 0.977 118 Q CA 1.253 57.092 55.803 0.061 0.000 0.850 118 Q CB -0.363 28.474 28.738 0.164 0.000 0.901 118 Q HN 0.418 nan 8.270 nan 0.000 0.429 119 G N 1.165 110.006 108.800 0.068 0.000 2.248 119 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.252 119 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.252 119 G C -0.288 174.656 174.900 0.072 0.000 1.085 119 G CA 0.266 45.404 45.100 0.064 0.000 0.845 119 G HN 0.291 nan 8.290 nan 0.000 0.494 120 I N 1.649 122.282 120.570 0.105 0.000 2.377 120 I HA 0.584 4.754 4.170 -0.001 0.000 0.282 120 I C 1.117 177.262 176.117 0.047 0.000 1.091 120 I CA 1.057 62.416 61.300 0.097 0.000 1.207 120 I CB 0.068 38.188 38.000 0.200 0.000 1.429 120 I HN 1.516 nan 8.210 nan 0.000 0.491 121 G N 5.728 114.518 108.800 -0.018 0.000 2.641 121 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.254 121 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.254 121 G C -0.177 174.693 174.900 -0.050 0.000 1.315 121 G CA -0.446 44.599 45.100 -0.093 0.000 0.907 121 G HN 0.656 nan 8.290 nan 0.000 0.572 122 R N -1.401 119.009 120.500 -0.151 0.000 2.486 122 R HA 0.630 4.969 4.340 -0.001 0.000 0.286 122 R C 0.032 176.411 176.300 0.132 0.000 0.999 122 R CA -0.476 55.637 56.100 0.021 0.000 0.993 122 R CB 1.766 32.038 30.300 -0.046 0.000 1.084 122 R HN 0.497 nan 8.270 nan 0.000 0.487 123 V N 4.584 124.637 119.914 0.232 0.000 2.435 123 V HA 0.442 4.561 4.120 -0.001 0.000 0.290 123 V C -0.107 176.058 176.094 0.119 0.000 1.030 123 V CA -0.600 61.821 62.300 0.202 0.000 0.881 123 V CB 1.549 33.539 31.823 0.279 0.000 0.983 123 V HN 0.592 nan 8.190 nan 0.000 0.445 124 I N 5.042 125.629 120.570 0.029 0.000 2.389 124 I HA 0.419 4.588 4.170 -0.001 0.000 0.288 124 I C -1.300 174.669 176.117 -0.246 0.000 0.999 124 I CA -0.631 60.585 61.300 -0.140 0.000 1.129 124 I CB 1.458 39.344 38.000 -0.191 0.000 1.288 124 I HN 0.593 nan 8.210 nan 0.000 0.444 125 Y N 6.869 126.893 120.300 -0.461 0.000 2.326 125 Y HA 0.428 4.977 4.550 -0.001 0.000 0.329 125 Y C -0.979 174.732 175.900 -0.314 0.000 0.973 125 Y CA -0.806 57.101 58.100 -0.322 0.000 1.162 125 Y CB 1.031 39.391 38.460 -0.167 0.000 1.147 125 Y HN 0.362 nan 8.280 nan 0.000 0.456 126 Y N 5.823 125.932 120.300 -0.318 0.000 2.465 126 Y HA 0.063 4.612 4.550 -0.001 0.000 0.331 126 Y C 0.898 176.667 175.900 -0.218 0.000 1.102 126 Y CA -0.289 57.664 58.100 -0.246 0.000 1.358 126 Y CB 0.272 38.530 38.460 -0.337 0.000 1.213 126 Y HN 0.706 nan 8.280 nan 0.000 0.525 127 N N 1.665 120.424 118.700 0.099 0.000 2.332 127 N HA 0.086 4.825 4.740 -0.001 0.000 0.282 127 N C -1.599 173.877 175.510 -0.057 0.000 1.288 127 N CA -0.459 52.639 53.050 0.080 0.000 0.949 127 N CB 0.135 38.762 38.487 0.232 0.000 1.108 127 N HN 0.471 nan 8.380 nan 0.000 0.542 128 Y N -1.435 118.992 120.300 0.212 0.000 2.388 128 Y HA 0.420 4.970 4.550 -0.002 0.000 0.328 128 Y C -2.116 173.860 175.900 0.127 0.000 0.963 128 Y CA -2.128 56.078 58.100 0.176 0.000 1.240 128 Y CB 1.566 40.112 38.460 0.143 0.000 1.118 128 Y HN 0.387 nan 8.280 nan 0.000 0.484 129 P HA -0.019 nan 4.420 nan 0.000 0.268 129 P C -0.233 177.175 177.300 0.179 0.000 1.205 129 P CA -0.299 62.907 63.100 0.178 0.000 0.771 129 P CB 0.769 32.559 31.700 0.149 0.000 0.858 130 E N 2.766 123.047 120.200 0.136 0.000 2.344 130 E HA 0.142 4.491 4.350 -0.001 0.000 0.270 130 E C -0.640 176.044 176.600 0.140 0.000 1.021 130 E CA -0.262 56.216 56.400 0.129 0.000 0.887 130 E CB 0.100 29.849 29.700 0.082 0.000 0.997 130 E HN 0.353 nan 8.360 nan 0.000 0.429 131 I N 4.777 125.462 120.570 0.192 0.000 2.307 131 I HA 0.106 4.275 4.170 -0.001 0.000 0.289 131 I C 0.240 176.442 176.117 0.141 0.000 1.021 131 I CA -0.343 61.022 61.300 0.109 0.000 1.224 131 I CB 1.180 39.177 38.000 -0.005 0.000 1.376 131 I HN 0.572 nan 8.210 nan 0.000 0.470 132 E N 5.972 126.234 120.200 0.103 0.000 2.166 132 E HA -0.016 4.333 4.350 -0.001 0.000 0.279 132 E C 0.241 176.889 176.600 0.080 0.000 1.095 132 E CA -0.382 56.086 56.400 0.113 0.000 0.888 132 E CB 0.765 30.522 29.700 0.095 0.000 1.041 132 E HN 0.633 nan 8.360 nan 0.000 0.414 133 D N 2.829 123.284 120.400 0.091 0.000 2.355 133 D HA -0.155 4.484 4.640 -0.001 0.000 0.218 133 D C 0.901 177.232 176.300 0.051 0.000 1.004 133 D CA 0.894 54.912 54.000 0.030 0.000 0.880 133 D CB -0.329 40.463 40.800 -0.013 0.000 0.911 133 D HN 0.630 nan 8.370 nan 0.000 0.528 134 T N -2.390 112.222 114.554 0.095 0.000 4.242 134 T HA -0.288 4.061 4.350 -0.001 0.000 0.327 134 T C 1.160 175.902 174.700 0.069 0.000 0.837 134 T CA 0.914 63.072 62.100 0.096 0.000 1.949 134 T CB -2.294 66.611 68.868 0.063 0.000 1.943 134 T HN 0.296 nan 8.240 nan 0.000 0.863 135 I N -1.344 119.263 120.570 0.062 0.000 2.264 135 I HA -0.033 4.136 4.170 -0.001 0.000 0.248 135 I C 2.038 178.027 176.117 -0.212 0.000 1.111 135 I CA 1.673 62.914 61.300 -0.097 0.000 1.382 135 I CB -0.802 37.131 38.000 -0.113 0.000 1.060 135 I HN 0.624 nan 8.210 nan 0.000 0.418 136 W N 0.522 121.879 121.300 0.095 0.000 3.127 136 W HA 0.453 5.112 4.660 -0.001 0.000 0.344 136 W C 1.493 178.087 176.519 0.125 0.000 1.151 136 W CA 0.671 58.090 57.345 0.123 0.000 1.765 136 W CB -0.280 29.300 29.460 0.200 0.000 1.085 136 W HN 0.222 nan 8.180 nan 0.000 0.596 137 G N 0.935 109.898 108.800 0.271 0.000 2.601 137 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.252 137 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.252 137 G C 1.024 176.066 174.900 0.237 0.000 1.294 137 G CA 0.255 45.481 45.100 0.211 0.000 0.912 137 G HN 0.029 nan 8.290 nan 0.000 0.574 138 S N -0.902 114.909 115.700 0.186 0.000 2.442 138 S HA -0.107 4.362 4.470 -0.001 0.000 0.236 138 S C 1.728 176.427 174.600 0.163 0.000 1.007 138 S CA 1.868 60.157 58.200 0.149 0.000 0.965 138 S CB -0.300 62.966 63.200 0.110 0.000 0.773 138 S HN 0.601 nan 8.310 nan 0.000 0.504 139 Y N 2.429 122.794 120.300 0.109 0.000 2.465 139 Y HA -0.145 4.404 4.550 -0.001 0.000 0.289 139 Y C 2.167 178.062 175.900 -0.009 0.000 1.150 139 Y CA 0.358 58.502 58.100 0.074 0.000 1.293 139 Y CB -0.538 38.008 38.460 0.144 0.000 0.977 139 Y HN 0.278 nan 8.280 nan 0.000 0.556 140 A N -0.497 122.400 122.820 0.130 0.000 2.032 140 A HA -0.297 4.022 4.320 -0.001 0.000 0.221 140 A C 2.311 179.781 177.584 -0.191 0.000 1.165 140 A CA 2.320 54.313 52.037 -0.074 0.000 0.645 140 A CB -1.462 17.619 19.000 0.136 0.000 0.807 140 A HN 0.602 nan 8.150 nan 0.000 0.453 141 T N -2.497 111.975 114.554 -0.138 0.000 2.962 141 T HA -0.068 4.281 4.350 -0.001 0.000 0.270 141 T C 1.507 176.059 174.700 -0.246 0.000 1.088 141 T CA 1.608 63.649 62.100 -0.098 0.000 1.127 141 T CB -0.276 68.556 68.868 -0.060 0.000 0.883 141 T HN 0.573 nan 8.240 nan 0.000 0.493 142 K N 0.515 120.623 120.400 -0.487 0.000 2.404 142 K HA 0.272 4.591 4.320 -0.001 0.000 0.194 142 K C -0.321 175.924 176.600 -0.592 0.000 1.023 142 K CA -0.039 55.893 56.287 -0.591 0.000 1.094 142 K CB 0.684 32.633 32.500 -0.919 0.000 0.841 142 K HN 0.243 nan 8.250 nan 0.000 0.523 143 V N 2.136 121.676 119.914 -0.623 0.000 2.304 143 V HA 0.092 4.211 4.120 -0.001 0.000 0.278 143 V C 0.851 176.626 176.094 -0.531 0.000 1.018 143 V CA -0.464 61.453 62.300 -0.638 0.000 0.814 143 V CB 1.214 32.393 31.823 -1.072 0.000 1.021 143 V HN 0.190 nan 8.190 nan 0.000 0.440 144 Q N 2.104 121.577 119.800 -0.544 0.000 2.135 144 Q HA -0.179 4.160 4.340 -0.001 0.000 0.204 144 Q C 2.083 177.997 176.000 -0.142 0.000 0.981 144 Q CA 1.926 57.381 55.803 -0.580 0.000 0.856 144 Q CB 0.050 28.528 28.738 -0.433 0.000 0.902 144 Q HN 0.931 nan 8.270 nan 0.000 0.425 145 S N -0.012 115.644 115.700 -0.074 0.000 2.603 145 S HA 0.007 4.476 4.470 -0.001 0.000 0.220 145 S C 0.938 175.705 174.600 0.279 0.000 0.967 145 S CA 0.027 58.293 58.200 0.110 0.000 0.920 145 S CB -0.103 63.163 63.200 0.110 0.000 0.773 145 S HN 0.271 nan 8.310 nan 0.000 0.529 146 S N 0.644 116.426 115.700 0.138 0.000 2.579 146 S HA 0.317 4.786 4.470 -0.001 0.000 0.275 146 S C 0.538 175.237 174.600 0.165 0.000 1.345 146 S CA -0.683 57.663 58.200 0.243 0.000 1.031 146 S CB 0.099 63.295 63.200 -0.007 0.000 0.892 146 S HN 0.258 nan 8.310 nan 0.000 0.529 147 F N 2.272 122.137 119.950 -0.142 0.000 2.186 147 F HA -0.010 4.516 4.527 -0.001 0.000 0.299 147 F C 2.543 178.245 175.800 -0.163 0.000 1.090 147 F CA 2.041 59.772 58.000 -0.449 0.000 1.307 147 F CB -1.014 37.667 39.000 -0.533 0.000 1.019 147 F HN 0.721 nan 8.300 nan 0.000 0.489 148 T N -0.631 113.936 114.554 0.022 0.000 2.746 148 T HA -0.264 4.085 4.350 -0.001 0.000 0.267 148 T C 1.597 176.234 174.700 -0.106 0.000 1.039 148 T CA 1.843 63.921 62.100 -0.037 0.000 1.142 148 T CB -0.714 68.196 68.868 0.069 0.000 0.866 148 T HN 0.449 nan 8.240 nan 0.000 0.444 149 Y N 1.801 122.013 120.300 -0.148 0.000 2.114 149 Y HA -0.174 4.375 4.550 -0.002 0.000 0.284 149 Y C 2.708 178.501 175.900 -0.178 0.000 1.143 149 Y CA 1.411 59.420 58.100 -0.152 0.000 1.135 149 Y CB -0.244 38.128 38.460 -0.147 0.000 0.980 149 Y HN 0.072 nan 8.280 nan 0.000 0.499 150 Q N -0.281 119.444 119.800 -0.126 0.000 2.096 150 Q HA -0.197 4.142 4.340 -0.001 0.000 0.204 150 Q C 2.351 178.111 176.000 -0.400 0.000 0.982 150 Q CA 1.535 57.207 55.803 -0.219 0.000 0.850 150 Q CB -0.738 27.909 28.738 -0.151 0.000 0.901 150 Q HN 0.498 nan 8.270 nan 0.000 0.422 151 L N 0.444 121.327 121.223 -0.566 0.000 2.093 151 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 151 L C 2.152 178.839 176.870 -0.306 0.000 1.085 151 L CA 1.701 56.216 54.840 -0.541 0.000 0.755 151 L CB -0.702 40.951 42.059 -0.677 0.000 0.904 151 L HN 0.147 nan 8.230 nan 0.000 0.435 152 T N -0.734 113.640 114.554 -0.301 0.000 2.746 152 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 152 T C 1.861 176.426 174.700 -0.225 0.000 1.039 152 T CA 1.678 63.638 62.100 -0.233 0.000 1.142 152 T CB -0.179 68.525 68.868 -0.273 0.000 0.866 152 T HN 0.317 nan 8.240 nan 0.000 0.444 153 K N 0.672 120.851 120.400 -0.369 0.000 2.009 153 K HA -0.118 4.201 4.320 -0.001 0.000 0.210 153 K C 2.319 178.873 176.600 -0.075 0.000 1.049 153 K CA 1.217 57.360 56.287 -0.239 0.000 0.929 153 K CB -0.395 31.907 32.500 -0.329 0.000 0.714 153 K HN 0.169 nan 8.250 nan 0.000 0.440 154 L N 2.203 123.346 121.223 -0.133 0.000 2.012 154 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 154 L C 1.746 178.635 176.870 0.032 0.000 1.073 154 L CA 1.888 56.679 54.840 -0.081 0.000 0.748 154 L CB -0.852 41.082 42.059 -0.208 0.000 0.891 154 L HN 0.287 nan 8.230 nan 0.000 0.431 155 N N -1.556 117.180 118.700 0.060 0.000 2.188 155 N HA -0.233 4.506 4.740 -0.001 0.000 0.184 155 N C 1.842 177.435 175.510 0.139 0.000 1.018 155 N CA 1.507 54.649 53.050 0.153 0.000 0.858 155 N CB -0.425 38.151 38.487 0.149 0.000 0.989 155 N HN 0.546 nan 8.380 nan 0.000 0.426 156 Y N 2.324 122.618 120.300 -0.011 0.000 2.114 156 Y HA -0.108 4.441 4.550 -0.002 0.000 0.284 156 Y C 2.072 177.971 175.900 -0.001 0.000 1.143 156 Y CA 1.499 59.590 58.100 -0.016 0.000 1.135 156 Y CB -0.214 38.213 38.460 -0.056 0.000 0.980 156 Y HN -0.056 nan 8.280 nan 0.000 0.499 157 E N 0.849 120.960 120.200 -0.148 0.000 2.150 157 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 157 E C 1.168 177.677 176.600 -0.151 0.000 0.985 157 E CA 0.488 56.749 56.400 -0.232 0.000 0.814 157 E CB -0.500 29.143 29.700 -0.094 0.000 0.752 157 E HN 0.450 nan 8.360 nan 0.000 0.466 161 I N 2.088 122.611 120.570 -0.079 0.000 2.208 161 I HA -0.229 3.940 4.170 -0.001 0.000 0.245 161 I C 2.322 178.492 176.117 0.088 0.000 1.097 161 I CA 1.940 63.215 61.300 -0.041 0.000 1.363 161 I CB -0.230 37.602 38.000 -0.280 0.000 1.051 161 I HN 0.215 nan 8.210 nan 0.000 0.413 162 S N 0.286 116.095 115.700 0.183 0.000 2.419 162 S HA -0.234 4.236 4.470 -0.001 0.000 0.233 162 S C 1.828 176.455 174.600 0.045 0.000 1.016 162 S CA 1.014 59.362 58.200 0.246 0.000 0.974 162 S CB -0.410 62.895 63.200 0.174 0.000 0.786 162 S HN 0.539 nan 8.310 nan 0.000 0.492 163 Q N 0.219 120.016 119.800 -0.006 0.000 2.389 163 Q HA 0.326 4.665 4.340 -0.001 0.000 0.204 163 Q C 2.193 178.139 176.000 -0.091 0.000 0.944 163 Q CA 0.823 56.593 55.803 -0.056 0.000 0.908 163 Q CB -0.143 28.558 28.738 -0.063 0.000 1.002 163 Q HN 0.795 nan 8.270 nan 0.000 0.493 164 A N -0.404 122.351 122.820 -0.108 0.000 2.063 164 A HA 0.081 4.400 4.320 -0.001 0.000 0.211 164 A C -0.063 177.285 177.584 -0.394 0.000 1.177 164 A CA 0.264 52.137 52.037 -0.273 0.000 0.759 164 A CB 0.357 19.137 19.000 -0.366 0.000 0.857 164 A HN 0.235 nan 8.150 nan 0.000 0.468 165 Y N -0.789 119.455 120.300 -0.093 0.000 2.376 165 Y HA 0.380 4.929 4.550 -0.001 0.000 0.326 165 Y C -2.070 173.779 175.900 -0.085 0.000 0.970 165 Y CA -2.253 55.802 58.100 -0.075 0.000 1.248 165 Y CB 1.498 39.910 38.460 -0.079 0.000 1.117 165 Y HN 0.099 nan 8.280 nan 0.000 0.476 166 P HA -0.122 nan 4.420 nan 0.000 0.221 166 P C 0.634 177.876 177.300 -0.096 0.000 1.145 166 P CA 1.392 64.447 63.100 -0.074 0.000 0.795 166 P CB 0.400 32.087 31.700 -0.020 0.000 0.775 167 N N -1.780 116.954 118.700 0.058 0.000 2.270 167 N HA 0.062 4.801 4.740 -0.001 0.000 0.198 167 N C -0.392 175.243 175.510 0.207 0.000 1.117 167 N CA -0.010 53.136 53.050 0.161 0.000 0.845 167 N CB -0.178 38.406 38.487 0.160 0.000 0.980 167 N HN 0.146 nan 8.380 nan 0.000 0.486 168 F N 1.045 120.920 119.950 -0.125 0.000 2.388 168 F HA 0.429 4.955 4.527 -0.002 0.000 0.358 168 F C -1.016 174.629 175.800 -0.258 0.000 1.122 168 F CA -1.115 56.834 58.000 -0.084 0.000 1.056 168 F CB 0.241 39.179 39.000 -0.104 0.000 1.155 168 F HN -0.245 nan 8.300 nan 0.000 0.461 169 F N 6.684 126.358 119.950 -0.460 0.000 2.482 169 F HA 0.514 5.040 4.527 -0.002 0.000 0.331 169 F C -0.075 175.376 175.800 -0.582 0.000 1.115 169 F CA -0.943 56.831 58.000 -0.376 0.000 0.955 169 F CB 1.337 40.231 39.000 -0.178 0.000 1.136 169 F HN 0.200 nan 8.300 nan 0.000 0.452 170 I N 2.547 122.984 120.570 -0.221 0.000 2.472 170 I HA 0.186 4.355 4.170 -0.001 0.000 0.290 170 I C -0.311 175.774 176.117 -0.053 0.000 1.016 170 I CA -0.407 60.811 61.300 -0.137 0.000 1.348 170 I CB 1.077 39.078 38.000 0.002 0.000 1.417 170 I HN 0.581 nan 8.210 nan 0.000 0.521 171 C N 6.245 125.490 119.300 -0.093 0.000 2.273 171 C HA 0.309 4.768 4.460 -0.001 0.000 0.328 171 C C 0.703 175.741 174.990 0.079 0.000 1.275 171 C CA -0.723 58.278 59.018 -0.029 0.000 1.704 171 C CB -0.119 27.547 27.740 -0.124 0.000 2.326 171 C HN 0.762 nan 8.230 nan 0.000 0.517 172 N N 5.038 123.790 118.700 0.086 0.000 3.254 172 N HA 0.053 4.792 4.740 -0.001 0.000 0.308 172 N C 1.174 176.748 175.510 0.106 0.000 1.281 172 N CA 0.065 53.173 53.050 0.097 0.000 1.212 172 N CB -0.364 38.170 38.487 0.079 0.000 1.478 172 N HN 0.894 nan 8.380 nan 0.000 0.548 173 L N 0.332 121.629 121.223 0.124 0.000 2.081 173 L HA -0.257 4.082 4.340 -0.001 0.000 0.212 173 L C 1.833 178.763 176.870 0.099 0.000 1.080 173 L CA 1.598 56.489 54.840 0.086 0.000 0.754 173 L CB -0.287 41.797 42.059 0.042 0.000 0.893 173 L HN 0.461 nan 8.230 nan 0.000 0.433 174 A N -0.377 122.512 122.820 0.115 0.000 1.877 174 A HA -0.145 4.174 4.320 -0.001 0.000 0.216 174 A C 2.292 179.936 177.584 0.101 0.000 1.186 174 A CA 1.663 53.772 52.037 0.120 0.000 0.620 174 A CB -1.199 17.882 19.000 0.134 0.000 0.822 174 A HN 0.501 nan 8.150 nan 0.000 0.443 175 G N -0.149 108.703 108.800 0.086 0.000 2.408 175 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.217 175 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.217 175 G C 1.520 176.464 174.900 0.072 0.000 1.150 175 G CA 1.019 46.155 45.100 0.059 0.000 0.776 175 G HN 0.467 nan 8.290 nan 0.000 0.542 176 I N 0.725 121.359 120.570 0.107 0.000 2.127 176 I HA -0.196 3.973 4.170 -0.001 0.000 0.241 176 I C 2.963 179.228 176.117 0.246 0.000 1.075 176 I CA 1.453 62.859 61.300 0.176 0.000 1.334 176 I CB -0.253 37.843 38.000 0.161 0.000 1.040 176 I HN 0.217 nan 8.210 nan 0.000 0.405 177 S N 0.117 115.932 115.700 0.191 0.000 2.423 177 S HA -0.083 4.386 4.470 -0.001 0.000 0.231 177 S C 2.157 176.860 174.600 0.171 0.000 1.014 177 S CA 1.104 59.430 58.200 0.210 0.000 0.965 177 S CB -0.208 63.089 63.200 0.162 0.000 0.785 177 S HN 0.470 nan 8.310 nan 0.000 0.495 178 A N 1.247 124.136 122.820 0.115 0.000 1.972 178 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 178 A C 2.052 179.659 177.584 0.038 0.000 1.169 178 A CA 1.881 53.962 52.037 0.073 0.000 0.635 178 A CB -0.519 18.510 19.000 0.049 0.000 0.810 178 A HN 0.614 nan 8.150 nan 0.000 0.446 179 K N -1.734 118.668 120.400 0.004 0.000 2.007 179 K HA -0.105 4.214 4.320 -0.001 0.000 0.206 179 K C 1.776 178.256 176.600 -0.200 0.000 1.047 179 K CA 1.490 57.694 56.287 -0.139 0.000 0.937 179 K CB -0.316 32.016 32.500 -0.280 0.000 0.718 179 K HN 0.494 nan 8.250 nan 0.000 0.438 180 Y N 0.117 120.401 120.300 -0.027 0.000 2.337 180 Y HA 0.152 4.701 4.550 -0.002 0.000 0.293 180 Y C 1.011 176.929 175.900 0.030 0.000 1.123 180 Y CA 0.763 58.801 58.100 -0.104 0.000 1.201 180 Y CB 0.285 38.653 38.460 -0.154 0.000 1.011 180 Y HN 0.374 nan 8.280 nan 0.000 0.545 181 G N 0.199 109.144 108.800 0.242 0.000 2.785 181 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.686 181 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.686 181 G C 0.288 175.349 174.900 0.269 0.000 1.155 181 G CA -0.113 45.114 45.100 0.211 0.000 0.760 181 G HN 0.291 nan 8.290 nan 0.000 0.624 182 R N 1.052 121.678 120.500 0.211 0.000 2.120 182 R HA -0.113 4.226 4.340 -0.001 0.000 0.234 182 R C 2.410 178.865 176.300 0.258 0.000 1.123 182 R CA 1.799 58.031 56.100 0.220 0.000 0.975 182 R CB -0.273 30.120 30.300 0.155 0.000 0.866 182 R HN 0.571 nan 8.270 nan 0.000 0.446 183 N N -0.070 118.767 118.700 0.228 0.000 2.258 183 N HA -0.187 4.553 4.740 -0.001 0.000 0.187 183 N C 0.455 176.096 175.510 0.218 0.000 1.012 183 N CA 1.023 54.197 53.050 0.206 0.000 0.870 183 N CB -0.216 38.373 38.487 0.170 0.000 0.977 183 N HN 0.172 nan 8.380 nan 0.000 0.434 187 D N 3.696 123.631 120.400 -0.774 0.000 2.446 187 D HA 0.222 4.861 4.640 -0.001 0.000 0.251 187 D C 0.604 176.358 176.300 -0.910 0.000 1.137 187 D CA 0.322 53.930 54.000 -0.653 0.000 0.890 187 D CB 1.927 42.510 40.800 -0.362 0.000 1.071 187 D HN 0.567 nan 8.370 nan 0.000 0.528 188 S N 2.346 117.468 115.700 -0.963 0.000 2.365 188 S HA -0.201 4.268 4.470 -0.001 0.000 0.225 188 S C 1.853 176.327 174.600 -0.211 0.000 1.039 188 S CA 2.070 59.917 58.200 -0.588 0.000 1.033 188 S CB 0.066 63.170 63.200 -0.160 0.000 0.887 188 S HN 0.454 nan 8.310 nan 0.000 0.447 189 S N -0.225 115.362 115.700 -0.188 0.000 2.368 189 S HA -0.066 4.403 4.470 -0.001 0.000 0.225 189 S C 1.836 176.363 174.600 -0.122 0.000 1.030 189 S CA 1.474 59.604 58.200 -0.117 0.000 0.999 189 S CB -0.539 62.598 63.200 -0.105 0.000 0.844 189 S HN 0.413 nan 8.310 nan 0.000 0.459 190 V N 0.959 120.782 119.914 -0.152 0.000 2.295 190 V HA -0.137 3.982 4.120 -0.001 0.000 0.246 190 V C 2.080 178.116 176.094 -0.098 0.000 1.049 190 V CA 2.142 64.363 62.300 -0.131 0.000 1.024 190 V CB -0.941 30.792 31.823 -0.149 0.000 0.648 190 V HN 0.730 nan 8.190 nan 0.000 0.447 191 Y N 0.740 120.917 120.300 -0.205 0.000 2.165 191 Y HA -0.229 4.320 4.550 -0.001 0.000 0.286 191 Y C 2.358 178.210 175.900 -0.080 0.000 1.155 191 Y CA 1.837 59.865 58.100 -0.120 0.000 1.164 191 Y CB -0.512 37.915 38.460 -0.054 0.000 0.978 191 Y HN 0.035 nan 8.280 nan 0.000 0.513 192 V N 1.040 120.810 119.914 -0.239 0.000 2.392 192 V HA -0.356 3.763 4.120 -0.001 0.000 0.249 192 V C 1.480 177.405 176.094 -0.282 0.000 1.059 192 V CA 2.547 64.673 62.300 -0.291 0.000 1.051 192 V CB -0.720 31.049 31.823 -0.090 0.000 0.658 192 V HN 0.524 nan 8.190 nan 0.000 0.455 193 N N -1.007 117.568 118.700 -0.209 0.000 2.325 193 N HA -0.023 4.716 4.740 -0.001 0.000 0.182 193 N C 1.316 176.718 175.510 -0.179 0.000 1.088 193 N CA 0.922 53.870 53.050 -0.169 0.000 0.879 193 N CB 0.439 38.852 38.487 -0.123 0.000 0.983 193 N HN 0.645 nan 8.380 nan 0.000 0.471 194 T N -3.958 110.474 114.554 -0.203 0.000 3.046 194 T HA 0.178 4.527 4.350 -0.001 0.000 0.270 194 T C 0.345 174.941 174.700 -0.173 0.000 0.920 194 T CA -0.200 61.799 62.100 -0.168 0.000 0.874 194 T CB 0.483 69.278 68.868 -0.122 0.000 1.214 194 T HN -0.162 nan 8.240 nan 0.000 0.536 195 E N 0.458 120.514 120.200 -0.240 0.000 3.496 195 E HA -0.138 4.211 4.350 -0.001 0.000 0.300 195 E C -0.308 176.367 176.600 0.125 0.000 0.877 195 E CA 0.509 56.831 56.400 -0.130 0.000 1.050 195 E CB -1.863 27.766 29.700 -0.118 0.000 1.532 195 E HN 0.723 nan 8.360 nan 0.000 0.447 196 I N 1.055 121.673 120.570 0.080 0.000 2.396 196 I HA 0.078 4.247 4.170 -0.001 0.000 0.289 196 I C 1.830 178.054 176.117 0.178 0.000 1.056 196 I CA -0.079 61.276 61.300 0.092 0.000 1.365 196 I CB 0.600 38.592 38.000 -0.013 0.000 1.407 196 I HN -0.059 nan 8.210 nan 0.000 0.509 197 I N 7.055 127.722 120.570 0.163 0.000 3.645 197 I HA 0.172 4.341 4.170 -0.001 0.000 0.300 197 I C 0.290 176.514 176.117 0.179 0.000 1.260 197 I CA 0.502 61.899 61.300 0.162 0.000 1.365 197 I CB 0.323 38.327 38.000 0.006 0.000 1.077 197 I HN 0.372 nan 8.210 nan 0.000 0.439 198 L N 0.599 121.881 121.223 0.099 0.000 2.309 198 L HA 0.400 4.739 4.340 -0.001 0.000 0.282 198 L C 0.592 177.409 176.870 -0.087 0.000 1.036 198 L CA -0.741 54.111 54.840 0.021 0.000 0.806 198 L CB 1.468 43.519 42.059 -0.014 0.000 1.220 198 L HN 0.119 nan 8.230 nan 0.000 0.429 199 S N 1.729 117.334 115.700 -0.160 0.000 2.600 199 S HA 0.083 4.552 4.470 -0.001 0.000 0.265 199 S C 0.901 175.347 174.600 -0.256 0.000 1.325 199 S CA -0.625 57.422 58.200 -0.254 0.000 1.002 199 S CB 0.956 63.927 63.200 -0.382 0.000 0.921 199 S HN 0.584 nan 8.310 nan 0.000 0.554 200 L N 0.607 121.678 121.223 -0.253 0.000 2.079 200 L HA -0.079 4.260 4.340 -0.001 0.000 0.210 200 L C 1.625 178.396 176.870 -0.165 0.000 1.081 200 L CA 2.002 56.706 54.840 -0.227 0.000 0.752 200 L CB -0.999 40.949 42.059 -0.185 0.000 0.896 200 L HN 0.761 nan 8.230 nan 0.000 0.433 201 D N -0.815 119.450 120.400 -0.224 0.000 2.323 201 D HA 0.052 4.691 4.640 -0.001 0.000 0.209 201 D C 2.053 178.290 176.300 -0.105 0.000 0.973 201 D CA 1.025 54.944 54.000 -0.135 0.000 0.874 201 D CB 0.258 40.981 40.800 -0.129 0.000 0.930 201 D HN 0.500 nan 8.370 nan 0.000 0.521 202 A N 0.548 123.225 122.820 -0.239 0.000 2.021 202 A HA 0.017 4.336 4.320 -0.001 0.000 0.216 202 A C 2.269 179.804 177.584 -0.083 0.000 1.163 202 A CA 0.234 52.196 52.037 -0.124 0.000 0.676 202 A CB -0.440 18.467 19.000 -0.155 0.000 0.818 202 A HN 0.126 nan 8.150 nan 0.000 0.453 203 L N -0.134 121.040 121.223 -0.081 0.000 2.013 203 L HA -0.151 4.188 4.340 -0.001 0.000 0.212 203 L C -0.536 176.357 176.870 0.039 0.000 1.073 203 L CA 1.809 56.628 54.840 -0.035 0.000 0.753 203 L CB -1.197 40.834 42.059 -0.047 0.000 0.890 203 L HN 0.262 nan 8.230 nan 0.000 0.432 204 P HA -0.104 nan 4.420 nan 0.000 0.221 204 P C 1.731 179.071 177.300 0.067 0.000 1.150 204 P CA 1.280 64.448 63.100 0.113 0.000 0.800 204 P CB 0.035 31.822 31.700 0.144 0.000 0.787 205 I N -0.884 119.696 120.570 0.017 0.000 2.202 205 I HA -0.196 3.974 4.170 -0.001 0.000 0.242 205 I C 2.009 178.125 176.117 -0.002 0.000 1.091 205 I CA 1.223 62.517 61.300 -0.010 0.000 1.368 205 I CB -0.558 37.378 38.000 -0.106 0.000 1.058 205 I HN -0.131 nan 8.210 nan 0.000 0.410 206 I N 0.812 121.358 120.570 -0.040 0.000 2.315 206 I HA -0.208 3.961 4.170 -0.001 0.000 0.248 206 I C 2.869 178.987 176.117 0.001 0.000 1.117 206 I CA 1.695 62.956 61.300 -0.065 0.000 1.404 206 I CB -1.524 36.337 38.000 -0.233 0.000 1.071 206 I HN 0.305 nan 8.210 nan 0.000 0.419 207 S N -0.260 115.451 115.700 0.019 0.000 2.368 207 S HA -0.178 4.291 4.470 -0.001 0.000 0.225 207 S C 2.245 176.877 174.600 0.054 0.000 1.030 207 S CA 1.522 59.749 58.200 0.046 0.000 0.999 207 S CB -0.817 62.420 63.200 0.063 0.000 0.844 207 S HN 0.399 nan 8.310 nan 0.000 0.459 208 S N 1.663 117.405 115.700 0.069 0.000 2.356 208 S HA -0.049 4.420 4.470 -0.001 0.000 0.223 208 S C 2.137 176.769 174.600 0.053 0.000 1.032 208 S CA 0.682 58.929 58.200 0.078 0.000 1.005 208 S CB -0.408 62.844 63.200 0.086 0.000 0.867 208 S HN 0.432 nan 8.310 nan 0.000 0.449 209 R N 0.588 121.118 120.500 0.050 0.000 2.148 209 R HA 0.021 4.360 4.340 -0.001 0.000 0.227 209 R C 2.232 178.548 176.300 0.028 0.000 1.103 209 R CA 1.425 57.554 56.100 0.048 0.000 0.983 209 R CB -1.514 28.825 30.300 0.066 0.000 0.874 209 R HN 0.465 nan 8.270 nan 0.000 0.451 210 T N 1.538 116.111 114.554 0.031 0.000 2.809 210 T HA 0.023 4.372 4.350 -0.001 0.000 0.260 210 T C 1.875 176.522 174.700 -0.088 0.000 1.039 210 T CA 0.558 62.644 62.100 -0.023 0.000 1.141 210 T CB 0.029 68.915 68.868 0.028 0.000 0.869 210 T HN -0.004 nan 8.240 nan 0.000 0.437 211 I N 2.174 122.714 120.570 -0.049 0.000 2.394 211 I HA -0.093 4.076 4.170 -0.001 0.000 0.251 211 I C 1.953 178.036 176.117 -0.057 0.000 1.136 211 I CA 1.072 62.330 61.300 -0.069 0.000 1.425 211 I CB -1.150 36.854 38.000 0.007 0.000 1.079 211 I HN 0.181 nan 8.210 nan 0.000 0.425 212 D N 1.005 121.395 120.400 -0.018 0.000 2.149 212 D HA -0.168 4.471 4.640 -0.001 0.000 0.198 212 D C 2.334 178.608 176.300 -0.043 0.000 0.990 212 D CA 1.245 55.246 54.000 0.002 0.000 0.839 212 D CB -0.042 40.772 40.800 0.023 0.000 0.948 212 D HN 0.335 nan 8.370 nan 0.000 0.460 213 I N 0.515 121.021 120.570 -0.106 0.000 2.193 213 I HA -0.191 3.978 4.170 -0.001 0.000 0.240 213 I C 2.462 178.402 176.117 -0.295 0.000 1.084 213 I CA 0.570 61.758 61.300 -0.187 0.000 1.365 213 I CB -0.101 37.769 38.000 -0.217 0.000 1.064 213 I HN -0.063 nan 8.210 nan 0.000 0.410 214 I N 0.972 121.307 120.570 -0.392 0.000 2.118 214 I HA -0.354 3.815 4.170 -0.001 0.000 0.241 214 I C 2.851 178.738 176.117 -0.384 0.000 1.070 214 I CA 1.589 62.516 61.300 -0.622 0.000 1.327 214 I CB -0.592 36.904 38.000 -0.840 0.000 1.034 214 I HN 0.224 nan 8.210 nan 0.000 0.405 215 A N 0.793 123.493 122.820 -0.200 0.000 1.883 215 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 215 A C 2.555 180.196 177.584 0.094 0.000 1.186 215 A CA 2.185 54.244 52.037 0.036 0.000 0.624 215 A CB -0.931 18.179 19.000 0.183 0.000 0.822 215 A HN 0.474 nan 8.150 nan 0.000 0.444 216 A N -0.135 122.721 122.820 0.061 0.000 1.877 216 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 216 A C 2.122 179.751 177.584 0.075 0.000 1.186 216 A CA 1.595 53.709 52.037 0.128 0.000 0.620 216 A CB -0.664 18.345 19.000 0.015 0.000 0.822 216 A HN 0.513 nan 8.150 nan 0.000 0.443 217 I N -0.352 120.187 120.570 -0.051 0.000 2.264 217 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 217 I C 2.245 178.409 176.117 0.079 0.000 1.111 217 I CA 1.152 62.437 61.300 -0.025 0.000 1.382 217 I CB -0.287 37.653 38.000 -0.100 0.000 1.060 217 I HN 0.340 nan 8.210 nan 0.000 0.418 218 Q N 0.521 120.369 119.800 0.080 0.000 2.488 218 Q HA 0.013 4.352 4.340 -0.001 0.000 0.211 218 Q C 1.551 177.658 176.000 0.179 0.000 0.967 218 Q CA 1.017 56.893 55.803 0.122 0.000 0.926 218 Q CB 0.267 29.057 28.738 0.087 0.000 0.992 218 Q HN 0.702 nan 8.270 nan 0.000 0.506 219 G N 0.763 109.708 108.800 0.242 0.000 2.148 219 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.203 219 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.203 219 G C -0.079 174.956 174.900 0.225 0.000 0.993 219 G CA -0.380 44.914 45.100 0.324 0.000 0.661 219 G HN 0.015 nan 8.290 nan 0.000 0.518 220 K N 0.464 121.012 120.400 0.246 0.000 2.334 220 K HA 0.688 5.007 4.320 -0.001 0.000 0.265 220 K C -0.413 176.312 176.600 0.209 0.000 1.039 220 K CA -0.447 55.899 56.287 0.099 0.000 0.920 220 K CB 0.500 33.074 32.500 0.122 0.000 1.160 220 K HN 0.618 nan 8.250 nan 0.000 0.451 221 F N -0.626 119.352 119.950 0.047 0.000 2.693 221 F HA 0.484 5.010 4.527 -0.002 0.000 0.309 221 F C -0.485 175.344 175.800 0.047 0.000 1.129 221 F CA -1.414 56.612 58.000 0.043 0.000 0.948 221 F CB 0.764 39.801 39.000 0.061 0.000 1.315 221 F HN -0.140 nan 8.300 nan 0.000 0.447 222 K N 1.621 122.136 120.400 0.191 0.000 2.270 222 K HA 0.314 4.633 4.320 -0.001 0.000 0.276 222 K C -0.252 176.541 176.600 0.321 0.000 1.023 222 K CA -0.239 56.118 56.287 0.117 0.000 0.955 222 K CB 1.412 33.845 32.500 -0.111 0.000 0.975 222 K HN 0.859 nan 8.250 nan 0.000 0.471 223 K N -0.202 120.322 120.400 0.206 0.000 2.450 223 K HA 0.130 4.449 4.320 -0.001 0.000 0.206 223 K C -0.049 176.658 176.600 0.178 0.000 1.148 223 K CA -0.073 56.333 56.287 0.198 0.000 1.014 223 K CB 0.835 33.367 32.500 0.053 0.000 0.966 223 K HN 0.560 nan 8.250 nan 0.000 0.566 224 C N 1.052 120.487 119.300 0.226 0.000 2.891 224 C HA 0.588 5.047 4.460 -0.001 0.000 0.342 224 C C -2.090 173.053 174.990 0.256 0.000 1.126 224 C CA -1.041 58.076 59.018 0.166 0.000 1.322 224 C CB 0.734 28.523 27.740 0.081 0.000 1.763 224 C HN 0.276 nan 8.230 nan 0.000 0.491 225 L N 6.880 128.226 121.223 0.205 0.000 2.325 225 L HA 0.767 5.106 4.340 -0.001 0.000 0.281 225 L C -0.797 176.174 176.870 0.168 0.000 1.004 225 L CA -0.201 54.791 54.840 0.254 0.000 0.823 225 L CB 1.187 43.378 42.059 0.220 0.000 1.236 225 L HN 0.672 nan 8.230 nan 0.000 0.415 226 I N 6.135 126.838 120.570 0.221 0.000 2.354 226 I HA 0.385 4.554 4.170 -0.001 0.000 0.292 226 I C -0.741 175.526 176.117 0.250 0.000 0.989 226 I CA -0.456 60.977 61.300 0.222 0.000 1.188 226 I CB 1.383 39.556 38.000 0.289 0.000 1.342 226 I HN 0.457 nan 8.210 nan 0.000 0.457 227 L N 5.277 126.579 121.223 0.130 0.000 2.322 227 L HA 0.423 4.762 4.340 -0.001 0.000 0.281 227 L C -0.219 176.666 176.870 0.024 0.000 1.014 227 L CA -0.690 54.188 54.840 0.063 0.000 0.815 227 L CB 1.764 43.843 42.059 0.033 0.000 1.247 227 L HN 0.538 nan 8.230 nan 0.000 0.421 228 D N 1.522 121.907 120.400 -0.024 0.000 2.360 228 D HA 0.218 4.857 4.640 -0.001 0.000 0.242 228 D C 0.532 176.735 176.300 -0.163 0.000 1.184 228 D CA 0.037 54.007 54.000 -0.051 0.000 0.930 228 D CB 1.105 41.861 40.800 -0.073 0.000 1.161 228 D HN 0.349 nan 8.370 nan 0.000 0.447 229 L N 0.136 121.208 121.223 -0.251 0.000 2.471 229 L HA 0.188 4.527 4.340 -0.001 0.000 0.186 229 L C 0.377 176.787 176.870 -0.767 0.000 1.191 229 L CA -0.184 54.289 54.840 -0.613 0.000 0.835 229 L CB -0.248 41.485 42.059 -0.543 0.000 1.092 229 L HN 0.376 nan 8.230 nan 0.000 0.495 230 D N 2.217 122.406 120.400 -0.353 0.000 2.434 230 D HA -0.019 4.620 4.640 -0.001 0.000 0.252 230 D C 0.170 176.412 176.300 -0.097 0.000 1.185 230 D CA 0.533 54.460 54.000 -0.121 0.000 0.886 230 D CB 0.411 41.305 40.800 0.156 0.000 1.148 230 D HN 0.217 nan 8.370 nan 0.000 0.483 231 N N 1.362 119.999 118.700 -0.104 0.000 2.778 231 N HA -0.177 4.562 4.740 -0.001 0.000 0.249 231 N C 0.668 176.328 175.510 0.249 0.000 1.069 231 N CA 1.272 54.359 53.050 0.063 0.000 0.831 231 N CB -0.961 37.613 38.487 0.145 0.000 1.142 231 N HN 0.403 nan 8.380 nan 0.000 0.573 232 T N -0.149 114.456 114.554 0.085 0.000 3.151 232 T HA 0.252 4.601 4.350 -0.001 0.000 0.239 232 T C 1.786 176.766 174.700 0.467 0.000 0.979 232 T CA 0.711 62.957 62.100 0.243 0.000 1.194 232 T CB 0.453 69.327 68.868 0.010 0.000 0.982 232 T HN 0.425 nan 8.240 nan 0.000 0.428 233 I N -1.413 119.213 120.570 0.094 0.000 3.968 233 I HA 0.432 4.601 4.170 -0.001 0.000 0.328 233 I C -0.286 175.875 176.117 0.074 0.000 1.290 233 I CA -0.672 60.772 61.300 0.240 0.000 1.163 233 I CB 0.347 38.364 38.000 0.029 0.000 1.024 233 I HN 0.310 nan 8.210 nan 0.000 0.413 234 W N 0.353 121.413 121.300 -0.401 0.000 3.118 234 W HA 0.823 5.482 4.660 -0.001 0.000 0.328 234 W C -0.360 175.266 176.519 -1.488 0.000 1.239 234 W CA -1.842 54.960 57.345 -0.905 0.000 1.176 234 W CB -0.058 29.179 29.460 -0.373 0.000 1.433 234 W HN -0.008 nan 8.180 nan 0.000 0.562 235 G N 1.095 109.227 108.800 -1.113 0.000 2.415 235 G HA2 0.602 4.561 3.960 -0.001 0.000 0.269 235 G HA3 0.602 4.561 3.960 -0.001 0.000 0.269 235 G C 0.321 175.214 174.900 -0.011 0.000 1.209 235 G CA 0.321 45.142 45.100 -0.464 0.000 0.835 235 G HN 1.927 nan 8.290 nan 0.000 0.534 236 G N -1.250 107.595 108.800 0.074 0.000 2.655 236 G HA2 0.165 4.124 3.960 -0.001 0.000 0.680 236 G HA3 0.165 4.124 3.960 -0.001 0.000 0.680 236 G C -0.914 174.105 174.900 0.198 0.000 1.302 236 G CA -0.289 44.873 45.100 0.102 0.000 0.872 236 G HN 1.469 nan 8.290 nan 0.000 0.540 237 V N 0.656 120.662 119.914 0.153 0.000 2.376 237 V HA 0.426 4.545 4.120 -0.001 0.000 0.287 237 V C 1.438 177.632 176.094 0.167 0.000 1.015 237 V CA 0.284 62.708 62.300 0.206 0.000 0.834 237 V CB 1.005 32.924 31.823 0.160 0.000 1.001 237 V HN 1.426 nan 8.190 nan 0.000 0.428 238 V N 5.209 125.268 119.914 0.241 0.000 2.407 238 V HA -0.117 4.002 4.120 -0.001 0.000 0.248 238 V C 2.172 178.339 176.094 0.122 0.000 1.055 238 V CA 2.861 65.223 62.300 0.104 0.000 1.049 238 V CB -0.318 31.582 31.823 0.127 0.000 0.662 238 V HN 0.998 nan 8.190 nan 0.000 0.455 239 G N -0.982 107.928 108.800 0.184 0.000 2.432 239 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.219 239 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.219 239 G C 1.262 176.236 174.900 0.124 0.000 1.135 239 G CA 1.042 46.252 45.100 0.183 0.000 0.767 239 G HN 0.585 nan 8.290 nan 0.000 0.550 240 D N 0.263 120.724 120.400 0.102 0.000 2.262 240 D HA 0.013 4.652 4.640 -0.001 0.000 0.212 240 D C 1.553 177.867 176.300 0.023 0.000 0.964 240 D CA 0.571 54.608 54.000 0.062 0.000 0.875 240 D CB 0.009 40.847 40.800 0.064 0.000 0.996 240 D HN 0.138 nan 8.370 nan 0.000 0.497 241 D N -0.044 120.360 120.400 0.007 0.000 2.301 241 D HA 0.234 4.873 4.640 -0.001 0.000 0.206 241 D C 1.151 177.393 176.300 -0.097 0.000 0.979 241 D CA 0.744 54.719 54.000 -0.043 0.000 0.874 241 D CB 0.887 41.657 40.800 -0.050 0.000 0.968 241 D HN 0.206 nan 8.370 nan 0.000 0.510 242 G N 1.010 109.760 108.800 -0.083 0.000 2.692 242 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.686 242 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.686 242 G C 0.768 175.547 174.900 -0.203 0.000 1.243 242 G CA -0.291 44.725 45.100 -0.139 0.000 0.782 242 G HN 0.150 nan 8.290 nan 0.000 0.625 243 W N 0.912 122.119 121.300 -0.155 0.000 2.374 243 W HA -0.077 4.582 4.660 -0.002 0.000 0.288 243 W C 1.717 178.095 176.519 -0.235 0.000 1.218 243 W CA 1.808 59.007 57.345 -0.243 0.000 1.245 243 W CB -0.551 28.804 29.460 -0.174 0.000 1.126 243 W HN 0.797 nan 8.180 nan 0.000 0.545 244 E N 0.781 120.409 120.200 -0.954 0.000 2.347 244 E HA -0.164 4.185 4.350 -0.001 0.000 0.196 244 E C 0.891 177.258 176.600 -0.388 0.000 1.008 244 E CA 0.786 56.700 56.400 -0.811 0.000 0.852 244 E CB -0.891 28.145 29.700 -1.108 0.000 0.783 244 E HN 0.325 nan 8.360 nan 0.000 0.505 245 N N 1.347 119.844 118.700 -0.339 0.000 2.205 245 N HA 0.164 4.903 4.740 -0.001 0.000 0.201 245 N C 0.876 176.266 175.510 -0.201 0.000 1.128 245 N CA -0.091 52.821 53.050 -0.230 0.000 0.867 245 N CB 0.603 38.971 38.487 -0.198 0.000 0.996 245 N HN 0.380 nan 8.380 nan 0.000 0.503 246 I N -0.422 119.977 120.570 -0.286 0.000 2.892 246 I HA 0.038 4.207 4.170 -0.001 0.000 0.287 246 I C -0.126 175.886 176.117 -0.175 0.000 1.205 246 I CA -0.299 60.799 61.300 -0.336 0.000 1.409 246 I CB 0.397 37.916 38.000 -0.801 0.000 1.367 246 I HN -0.200 nan 8.210 nan 0.000 0.597 247 Q N 4.563 124.301 119.800 -0.102 0.000 2.377 247 Q HA 0.614 4.953 4.340 -0.001 0.000 0.249 247 Q C -0.795 175.235 176.000 0.049 0.000 1.005 247 Q CA -0.312 55.485 55.803 -0.009 0.000 0.912 247 Q CB 1.638 30.410 28.738 0.057 0.000 1.223 247 Q HN 0.578 nan 8.270 nan 0.000 0.459 248 V N 1.668 121.616 119.914 0.056 0.000 3.023 248 V HA 0.858 4.977 4.120 -0.001 0.000 0.294 248 V C -0.861 175.249 176.094 0.027 0.000 1.324 248 V CA 0.435 62.790 62.300 0.091 0.000 0.979 248 V CB 1.923 33.797 31.823 0.085 0.000 1.093 248 V HN 0.884 nan 8.190 nan 0.000 0.434 249 G N 4.147 112.932 108.800 -0.026 0.000 2.406 249 G HA2 0.112 4.072 3.960 -0.001 0.000 0.680 249 G HA3 0.112 4.072 3.960 -0.001 0.000 0.680 249 G C -0.952 173.859 174.900 -0.148 0.000 1.338 249 G CA -0.417 44.620 45.100 -0.105 0.000 0.941 249 G HN 1.173 nan 8.290 nan 0.000 0.633 250 H N -0.088 119.017 119.070 0.058 0.000 2.408 250 H HA 0.618 5.173 4.556 -0.002 0.000 0.352 250 H C 1.140 176.490 175.328 0.038 0.000 1.607 250 H CA 1.143 57.219 56.048 0.048 0.000 1.445 250 H CB 0.830 30.617 29.762 0.041 0.000 1.664 250 H HN 2.276 nan 8.280 nan 0.000 0.605 251 G N -0.543 108.363 108.800 0.178 0.000 2.699 251 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.686 251 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.686 251 G C -0.764 174.181 174.900 0.075 0.000 1.301 251 G CA -0.621 44.535 45.100 0.095 0.000 0.816 251 G HN 0.481 nan 8.290 nan 0.000 0.595 252 L N 1.248 122.500 121.223 0.050 0.000 2.439 252 L HA 0.577 4.916 4.340 -0.001 0.000 0.269 252 L C 1.375 178.264 176.870 0.032 0.000 1.179 252 L CA 0.930 55.793 54.840 0.037 0.000 0.828 252 L CB 0.549 42.623 42.059 0.025 0.000 1.106 252 L HN 2.346 nan 8.230 nan 0.000 0.467 253 G N 1.765 110.579 108.800 0.024 0.000 2.462 253 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.685 253 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.685 253 G C -0.055 174.859 174.900 0.023 0.000 1.295 253 G CA -0.324 44.788 45.100 0.020 0.000 0.941 253 G HN 0.518 nan 8.290 nan 0.000 0.554 254 I N 1.662 122.250 120.570 0.030 0.000 2.530 254 I HA 0.052 4.221 4.170 -0.001 0.000 0.257 254 I C 2.697 178.894 176.117 0.132 0.000 1.179 254 I CA 2.875 64.189 61.300 0.023 0.000 1.440 254 I CB -0.585 37.445 38.000 0.050 0.000 1.087 254 I HN 0.990 nan 8.210 nan 0.000 0.440 255 G N -0.065 108.848 108.800 0.188 0.000 2.469 255 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.220 255 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.220 255 G C 1.780 176.771 174.900 0.153 0.000 1.136 255 G CA 1.036 46.278 45.100 0.236 0.000 0.759 255 G HN 0.449 nan 8.290 nan 0.000 0.562 256 K N 0.562 120.998 120.400 0.060 0.000 2.097 256 K HA 0.093 4.412 4.320 -0.001 0.000 0.205 256 K C 2.760 179.361 176.600 0.001 0.000 1.050 256 K CA 1.156 57.449 56.287 0.010 0.000 0.938 256 K CB -0.290 32.236 32.500 0.043 0.000 0.718 256 K HN 0.210 nan 8.250 nan 0.000 0.442 257 A N 0.468 123.249 122.820 -0.064 0.000 1.933 257 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 257 A C 1.820 179.320 177.584 -0.140 0.000 1.175 257 A CA 1.177 53.103 52.037 -0.184 0.000 0.628 257 A CB -0.686 18.071 19.000 -0.405 0.000 0.814 257 A HN 0.347 nan 8.150 nan 0.000 0.444 258 F N 0.350 120.332 119.950 0.053 0.000 2.186 258 F HA -0.089 4.437 4.527 -0.001 0.000 0.299 258 F C 2.729 178.622 175.800 0.155 0.000 1.090 258 F CA 1.674 59.768 58.000 0.157 0.000 1.307 258 F CB -0.968 38.125 39.000 0.154 0.000 1.019 258 F HN 0.110 nan 8.300 nan 0.000 0.489 259 T N -0.336 114.348 114.554 0.215 0.000 2.684 259 T HA -0.195 4.155 4.350 -0.001 0.000 0.267 259 T C 1.802 176.572 174.700 0.118 0.000 1.036 259 T CA 1.767 63.921 62.100 0.090 0.000 1.148 259 T CB -0.296 68.500 68.868 -0.120 0.000 0.863 259 T HN 0.324 nan 8.240 nan 0.000 0.436 260 E N 0.068 120.340 120.200 0.121 0.000 2.150 260 E HA -0.073 4.276 4.350 -0.001 0.000 0.193 260 E C 1.885 178.625 176.600 0.233 0.000 0.985 260 E CA 0.732 57.224 56.400 0.154 0.000 0.814 260 E CB -0.227 29.543 29.700 0.116 0.000 0.752 260 E HN 0.434 nan 8.360 nan 0.000 0.466 261 F N 2.244 122.245 119.950 0.085 0.000 2.146 261 F HA -0.163 4.363 4.527 -0.001 0.000 0.298 261 F C 2.104 178.058 175.800 0.257 0.000 1.096 261 F CA 1.553 59.638 58.000 0.142 0.000 1.275 261 F CB -0.187 38.874 39.000 0.101 0.000 1.008 261 F HN -0.099 nan 8.300 nan 0.000 0.480 262 Q N -0.022 119.804 119.800 0.044 0.000 2.170 262 Q HA -0.211 4.128 4.340 -0.001 0.000 0.203 262 Q C 2.054 178.056 176.000 0.003 0.000 0.976 262 Q CA 1.835 57.604 55.803 -0.057 0.000 0.858 262 Q CB -0.270 28.502 28.738 0.056 0.000 0.907 262 Q HN 0.581 nan 8.270 nan 0.000 0.433 263 E N -0.314 119.941 120.200 0.091 0.000 2.110 263 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 263 E C 1.483 178.162 176.600 0.131 0.000 0.988 263 E CA 0.860 57.324 56.400 0.107 0.000 0.804 263 E CB -0.150 29.634 29.700 0.140 0.000 0.745 263 E HN 0.413 nan 8.360 nan 0.000 0.458 264 W N 0.966 122.258 121.300 -0.014 0.000 2.358 264 W HA -0.197 4.462 4.660 -0.001 0.000 0.303 264 W C 1.944 178.408 176.519 -0.092 0.000 1.208 264 W CA 1.172 58.519 57.345 0.004 0.000 1.274 264 W CB -0.271 29.244 29.460 0.093 0.000 1.138 264 W HN -0.194 nan 8.180 nan 0.000 0.515 265 V N 1.326 121.184 119.914 -0.093 0.000 2.343 265 V HA -0.339 3.780 4.120 -0.001 0.000 0.247 265 V C 2.445 178.387 176.094 -0.254 0.000 1.051 265 V CA 2.375 64.504 62.300 -0.286 0.000 1.036 265 V CB -1.106 30.567 31.823 -0.251 0.000 0.654 265 V HN 0.223 nan 8.190 nan 0.000 0.451 266 K N 0.328 120.646 120.400 -0.137 0.000 2.063 266 K HA -0.246 4.073 4.320 -0.001 0.000 0.208 266 K C 2.223 178.742 176.600 -0.136 0.000 1.048 266 K CA 1.727 57.958 56.287 -0.094 0.000 0.928 266 K CB -0.141 32.344 32.500 -0.025 0.000 0.713 266 K HN 0.406 nan 8.250 nan 0.000 0.442 267 K N 0.514 120.813 120.400 -0.167 0.000 2.057 267 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 267 K C 2.179 178.604 176.600 -0.290 0.000 1.049 267 K CA 1.442 57.615 56.287 -0.190 0.000 0.931 267 K CB -0.147 32.254 32.500 -0.164 0.000 0.714 267 K HN 0.167 nan 8.250 nan 0.000 0.440 268 L N 1.263 122.204 121.223 -0.471 0.000 2.012 268 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 268 L C 2.697 179.360 176.870 -0.343 0.000 1.073 268 L CA 1.232 55.740 54.840 -0.552 0.000 0.748 268 L CB -0.527 41.016 42.059 -0.859 0.000 0.891 268 L HN 0.155 nan 8.230 nan 0.000 0.431 269 K N 0.545 120.788 120.400 -0.261 0.000 2.063 269 K HA -0.195 4.124 4.320 -0.001 0.000 0.208 269 K C 1.739 178.267 176.600 -0.120 0.000 1.048 269 K CA 1.640 57.832 56.287 -0.158 0.000 0.928 269 K CB -0.285 32.151 32.500 -0.107 0.000 0.713 269 K HN 0.300 nan 8.250 nan 0.000 0.442 270 N N 1.326 119.956 118.700 -0.117 0.000 2.453 270 N HA -0.149 4.590 4.740 -0.001 0.000 0.183 270 N C 1.291 176.752 175.510 -0.081 0.000 1.041 270 N CA 0.905 53.907 53.050 -0.081 0.000 0.900 270 N CB -0.126 38.322 38.487 -0.065 0.000 0.961 270 N HN 0.422 nan 8.380 nan 0.000 0.443 271 R N -1.133 119.300 120.500 -0.112 0.000 2.466 271 R HA 0.370 4.710 4.340 -0.001 0.000 0.279 271 R C 0.857 177.112 176.300 -0.076 0.000 0.976 271 R CA 0.484 56.529 56.100 -0.092 0.000 1.081 271 R CB -0.070 30.166 30.300 -0.105 0.000 1.215 271 R HN -0.058 nan 8.270 nan 0.000 0.546 272 G N 0.719 109.475 108.800 -0.074 0.000 2.176 272 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.232 272 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.232 272 G C -0.032 174.844 174.900 -0.040 0.000 0.986 272 G CA -0.191 44.885 45.100 -0.041 0.000 0.643 272 G HN 0.198 nan 8.290 nan 0.000 0.522 273 I N 1.966 122.474 120.570 -0.103 0.000 2.533 273 I HA 0.240 4.409 4.170 -0.001 0.000 0.284 273 I C 1.313 177.382 176.117 -0.080 0.000 1.109 273 I CA -0.733 60.501 61.300 -0.111 0.000 1.412 273 I CB 0.383 38.185 38.000 -0.329 0.000 1.396 273 I HN 0.089 nan 8.210 nan 0.000 0.543 274 I N 6.692 127.250 120.570 -0.021 0.000 2.471 274 I HA 0.117 4.286 4.170 -0.001 0.000 0.286 274 I C 0.262 176.368 176.117 -0.019 0.000 1.079 274 I CA -0.137 61.153 61.300 -0.017 0.000 1.398 274 I CB 0.433 38.433 38.000 0.001 0.000 1.403 274 I HN 0.227 nan 8.210 nan 0.000 0.530 275 I N 5.812 126.364 120.570 -0.031 0.000 2.359 275 I HA 0.584 4.753 4.170 -0.001 0.000 0.294 275 I C 0.386 176.489 176.117 -0.024 0.000 0.987 275 I CA -0.304 60.980 61.300 -0.026 0.000 1.225 275 I CB 1.155 39.131 38.000 -0.040 0.000 1.366 275 I HN 0.588 nan 8.210 nan 0.000 0.466 276 A N 6.133 128.941 122.820 -0.020 0.000 2.413 276 A HA 0.825 5.144 4.320 -0.001 0.000 0.307 276 A C -0.942 176.575 177.584 -0.112 0.000 1.087 276 A CA -0.553 51.450 52.037 -0.056 0.000 0.750 276 A CB 1.838 20.824 19.000 -0.023 0.000 1.296 276 A HN 0.398 nan 8.150 nan 0.000 0.423 277 V N 0.018 119.774 119.914 -0.263 0.000 2.581 277 V HA 0.554 4.673 4.120 -0.001 0.000 0.303 277 V C -0.596 175.339 176.094 -0.265 0.000 1.041 277 V CA -0.392 61.673 62.300 -0.391 0.000 0.907 277 V CB 1.422 32.633 31.823 -1.020 0.000 0.994 277 V HN 1.046 nan 8.190 nan 0.000 0.442 278 C N 4.539 123.763 119.300 -0.127 0.000 2.660 278 C HA 0.749 5.208 4.460 -0.001 0.000 0.336 278 C C -0.209 174.771 174.990 -0.017 0.000 1.058 278 C CA -0.245 58.739 59.018 -0.057 0.000 1.368 278 C CB 0.061 27.797 27.740 -0.006 0.000 1.884 278 C HN 0.929 nan 8.230 nan 0.000 0.454 279 S N 3.906 119.558 115.700 -0.081 0.000 2.541 279 S HA 0.621 5.090 4.470 -0.001 0.000 0.280 279 S C -1.120 173.388 174.600 -0.154 0.000 1.112 279 S CA -0.457 57.695 58.200 -0.080 0.000 0.925 279 S CB 1.161 64.309 63.200 -0.088 0.000 1.067 279 S HN 0.656 nan 8.310 nan 0.000 0.479 280 K N 3.020 123.325 120.400 -0.159 0.000 2.171 280 K HA 0.510 4.829 4.320 -0.001 0.000 0.274 280 K C -0.815 175.356 176.600 -0.716 0.000 1.110 280 K CA 0.263 56.340 56.287 -0.350 0.000 0.952 280 K CB -0.542 31.933 32.500 -0.041 0.000 1.309 280 K HN 0.660 nan 8.250 nan 0.000 0.414 281 N N 0.699 118.737 118.700 -1.103 0.000 3.043 281 N HA 0.073 4.812 4.740 -0.001 0.000 0.243 281 N C -1.750 173.341 175.510 -0.697 0.000 1.347 281 N CA -0.891 51.653 53.050 -0.844 0.000 0.896 281 N CB 0.895 39.287 38.487 -0.158 0.000 1.501 281 N HN 0.379 nan 8.380 nan 0.000 0.504 282 N N 1.332 119.972 118.700 -0.100 0.000 2.454 282 N HA -0.068 4.671 4.740 -0.001 0.000 0.260 282 N C 0.612 176.159 175.510 0.061 0.000 1.218 282 N CA 0.600 53.719 53.050 0.115 0.000 0.904 282 N CB 0.981 39.640 38.487 0.286 0.000 1.065 282 N HN 0.692 nan 8.380 nan 0.000 0.462 283 E N 3.183 123.412 120.200 0.048 0.000 2.077 283 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 283 E C 1.636 178.248 176.600 0.020 0.000 0.989 283 E CA 1.410 57.841 56.400 0.051 0.000 0.800 283 E CB -0.364 29.348 29.700 0.020 0.000 0.746 283 E HN 0.862 nan 8.360 nan 0.000 0.452 284 G N 1.363 110.177 108.800 0.024 0.000 2.476 284 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.218 284 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.218 284 G C 1.547 176.473 174.900 0.044 0.000 1.164 284 G CA 1.114 46.219 45.100 0.007 0.000 0.768 284 G HN 0.222 nan 8.290 nan 0.000 0.560 285 K N 0.592 121.056 120.400 0.106 0.000 2.097 285 K HA 0.074 4.394 4.320 -0.001 0.000 0.205 285 K C 2.918 179.645 176.600 0.212 0.000 1.050 285 K CA 0.927 57.306 56.287 0.153 0.000 0.938 285 K CB -0.195 32.417 32.500 0.187 0.000 0.718 285 K HN 0.286 nan 8.250 nan 0.000 0.442 286 A N 1.793 124.769 122.820 0.259 0.000 1.969 286 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 286 A C 1.807 179.735 177.584 0.573 0.000 1.169 286 A CA 1.342 53.662 52.037 0.471 0.000 0.635 286 A CB -0.154 19.142 19.000 0.494 0.000 0.810 286 A HN 0.175 nan 8.150 nan 0.000 0.445 287 K N -0.558 119.957 120.400 0.192 0.000 2.305 287 K HA -0.003 4.316 4.320 -0.001 0.000 0.199 287 K C 1.799 178.488 176.600 0.149 0.000 1.047 287 K CA 0.723 57.022 56.287 0.020 0.000 0.976 287 K CB -0.001 32.266 32.500 -0.390 0.000 0.765 287 K HN 0.571 nan 8.250 nan 0.000 0.474 288 E N 0.702 120.938 120.200 0.061 0.000 2.085 288 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 288 E C -1.065 175.429 176.600 -0.177 0.000 0.994 288 E CA 1.264 57.586 56.400 -0.131 0.000 0.801 288 E CB -0.468 29.125 29.700 -0.179 0.000 0.743 288 E HN 0.170 nan 8.360 nan 0.000 0.453 289 P HA -0.137 nan 4.420 nan 0.000 0.217 289 P C 0.818 178.068 177.300 -0.083 0.000 1.150 289 P CA 1.130 64.149 63.100 -0.136 0.000 0.832 289 P CB -0.103 31.308 31.700 -0.481 0.000 0.787 290 F N 0.368 120.357 119.950 0.065 0.000 2.126 290 F HA -0.165 4.361 4.527 -0.002 0.000 0.299 290 F C 2.196 177.977 175.800 -0.031 0.000 1.096 290 F CA 1.529 59.576 58.000 0.077 0.000 1.255 290 F CB -1.037 38.041 39.000 0.131 0.000 0.997 290 F HN 0.018 nan 8.300 nan 0.000 0.479 291 E N -0.637 119.607 120.200 0.073 0.000 2.122 291 E HA -0.043 4.306 4.350 -0.001 0.000 0.190 291 E C 2.048 178.536 176.600 -0.187 0.000 0.977 291 E CA 0.618 56.976 56.400 -0.070 0.000 0.820 291 E CB 0.065 29.685 29.700 -0.133 0.000 0.770 291 E HN 0.282 nan 8.360 nan 0.000 0.462 292 R N -0.007 120.280 120.500 -0.354 0.000 2.287 292 R HA 0.134 4.473 4.340 -0.001 0.000 0.197 292 R C 0.562 176.693 176.300 -0.281 0.000 0.900 292 R CA -0.005 55.746 56.100 -0.581 0.000 1.052 292 R CB -0.049 29.303 30.300 -1.579 0.000 1.117 292 R HN -0.012 nan 8.270 nan 0.000 0.568 293 N N 3.005 121.653 118.700 -0.088 0.000 2.420 293 N HA 0.117 4.857 4.740 -0.001 0.000 0.249 293 N C -1.927 173.619 175.510 0.060 0.000 1.033 293 N CA -1.667 51.467 53.050 0.140 0.000 0.944 293 N CB 1.701 40.285 38.487 0.161 0.000 1.113 293 N HN -0.147 nan 8.380 nan 0.000 0.502 294 P HA -0.004 nan 4.420 nan 0.000 0.225 294 P C 0.153 177.483 177.300 0.050 0.000 1.148 294 P CA 0.930 64.063 63.100 0.055 0.000 0.779 294 P CB 0.458 32.196 31.700 0.064 0.000 0.780 298 L N 3.060 124.344 121.223 0.101 0.000 2.416 298 L HA 0.362 4.701 4.340 -0.001 0.000 0.272 298 L C 0.098 177.148 176.870 0.301 0.000 1.161 298 L CA 0.476 55.431 54.840 0.192 0.000 0.845 298 L CB 0.327 42.545 42.059 0.265 0.000 1.119 298 L HN 0.218 nan 8.230 nan 0.000 0.464 299 K N 2.862 123.443 120.400 0.302 0.000 2.306 299 K HA 0.390 4.709 4.320 -0.001 0.000 0.236 299 K C 0.870 177.645 176.600 0.293 0.000 1.013 299 K CA -0.890 55.595 56.287 0.330 0.000 0.857 299 K CB 1.505 34.102 32.500 0.161 0.000 1.214 299 K HN 0.443 nan 8.250 nan 0.000 0.449 300 L N 0.960 122.290 121.223 0.179 0.000 2.127 300 L HA -0.253 4.086 4.340 -0.001 0.000 0.211 300 L C 1.405 178.274 176.870 -0.001 0.000 1.089 300 L CA 1.764 56.591 54.840 -0.021 0.000 0.757 300 L CB -0.459 41.546 42.059 -0.090 0.000 0.899 300 L HN 0.698 nan 8.230 nan 0.000 0.434 301 D N -1.829 118.587 120.400 0.028 0.000 2.378 301 D HA -0.157 4.482 4.640 -0.001 0.000 0.227 301 D C 1.196 177.508 176.300 0.020 0.000 1.012 301 D CA 0.534 54.542 54.000 0.014 0.000 0.905 301 D CB -0.297 40.511 40.800 0.013 0.000 0.895 301 D HN 0.240 nan 8.370 nan 0.000 0.532 302 D N -0.032 120.393 120.400 0.043 0.000 2.348 302 D HA 0.049 4.688 4.640 -0.001 0.000 0.211 302 D C 0.301 176.611 176.300 0.017 0.000 0.998 302 D CA 0.117 54.137 54.000 0.034 0.000 0.873 302 D CB 0.747 41.586 40.800 0.065 0.000 0.925 302 D HN 0.284 nan 8.370 nan 0.000 0.524 303 I N 1.285 121.863 120.570 0.013 0.000 2.328 303 I HA 0.229 4.398 4.170 -0.001 0.000 0.287 303 I C 1.283 177.405 176.117 0.007 0.000 1.012 303 I CA -0.596 60.704 61.300 -0.000 0.000 1.195 303 I CB 1.098 39.095 38.000 -0.006 0.000 1.350 303 I HN -0.225 nan 8.210 nan 0.000 0.464 304 A N 6.578 129.396 122.820 -0.004 0.000 1.897 304 A HA 0.109 4.428 4.320 -0.001 0.000 0.215 304 A C 0.861 178.450 177.584 0.008 0.000 1.181 304 A CA 1.046 53.082 52.037 -0.002 0.000 0.620 304 A CB 0.193 19.187 19.000 -0.009 0.000 0.821 304 A HN 0.465 nan 8.150 nan 0.000 0.443 305 V N -0.989 118.929 119.914 0.007 0.000 2.569 305 V HA 0.459 4.579 4.120 -0.001 0.000 0.301 305 V C -1.495 174.618 176.094 0.032 0.000 1.044 305 V CA -0.453 61.860 62.300 0.021 0.000 0.874 305 V CB 1.501 33.322 31.823 -0.003 0.000 1.002 305 V HN 0.311 nan 8.190 nan 0.000 0.424 306 F N 5.234 125.137 119.950 -0.078 0.000 2.382 306 F HA 0.722 5.248 4.527 -0.001 0.000 0.361 306 F C -0.403 175.355 175.800 -0.071 0.000 1.109 306 F CA -0.713 57.228 58.000 -0.098 0.000 1.031 306 F CB 1.535 40.445 39.000 -0.150 0.000 1.234 306 F HN 0.269 nan 8.300 nan 0.000 0.445 307 V N 5.596 125.516 119.914 0.010 0.000 2.350 307 V HA 0.764 4.883 4.120 -0.001 0.000 0.285 307 V C -0.386 175.709 176.094 0.001 0.000 1.014 307 V CA -0.650 61.671 62.300 0.036 0.000 0.831 307 V CB 1.084 32.895 31.823 -0.022 0.000 1.000 307 V HN 0.873 nan 8.190 nan 0.000 0.433 308 A N 5.236 128.104 122.820 0.080 0.000 2.357 308 A HA 0.930 5.249 4.320 -0.001 0.000 0.295 308 A C -0.413 177.102 177.584 -0.114 0.000 1.121 308 A CA -0.514 51.518 52.037 -0.009 0.000 0.742 308 A CB 1.070 20.161 19.000 0.153 0.000 1.181 308 A HN 1.005 nan 8.150 nan 0.000 0.454 309 N N -0.224 118.324 118.700 -0.254 0.000 3.449 309 N HA 0.389 5.128 4.740 -0.001 0.000 0.312 309 N C -0.731 174.493 175.510 -0.476 0.000 1.557 309 N CA -0.784 52.077 53.050 -0.315 0.000 0.864 309 N CB 0.267 38.716 38.487 -0.063 0.000 1.799 309 N HN 0.422 nan 8.380 nan 0.000 0.554 310 W N -0.265 121.064 121.300 0.049 0.000 3.123 310 W HA 0.432 5.091 4.660 -0.002 0.000 0.383 310 W C -0.046 176.489 176.519 0.027 0.000 1.102 310 W CA -0.301 57.068 57.345 0.041 0.000 1.865 310 W CB 0.496 29.979 29.460 0.037 0.000 1.111 310 W HN 0.193 nan 8.180 nan 0.000 0.621 311 E N 1.326 121.610 120.200 0.141 0.000 2.349 311 E HA 0.049 4.398 4.350 -0.001 0.000 0.262 311 E C 0.160 176.790 176.600 0.049 0.000 1.088 311 E CA -0.424 56.027 56.400 0.085 0.000 0.899 311 E CB 0.419 30.147 29.700 0.048 0.000 1.044 311 E HN 0.191 nan 8.360 nan 0.000 0.420 312 N N 0.002 118.718 118.700 0.026 0.000 2.441 312 N HA -0.066 4.673 4.740 -0.001 0.000 0.251 312 N C 0.438 175.933 175.510 -0.025 0.000 1.242 312 N CA 0.140 53.192 53.050 0.004 0.000 0.898 312 N CB 0.782 39.249 38.487 -0.033 0.000 1.100 312 N HN 0.219 nan 8.380 nan 0.000 0.443 313 K N 1.224 121.606 120.400 -0.030 0.000 2.217 313 K HA -0.095 4.224 4.320 -0.001 0.000 0.202 313 K C 1.869 178.382 176.600 -0.144 0.000 1.051 313 K CA 1.007 57.238 56.287 -0.092 0.000 0.952 313 K CB -0.227 32.210 32.500 -0.104 0.000 0.736 313 K HN 0.711 nan 8.250 nan 0.000 0.453 314 A N 2.309 125.064 122.820 -0.110 0.000 1.865 314 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 314 A C 1.648 179.181 177.584 -0.086 0.000 1.191 314 A CA 2.039 54.011 52.037 -0.109 0.000 0.623 314 A CB -0.483 18.467 19.000 -0.084 0.000 0.826 314 A HN 0.164 nan 8.150 nan 0.000 0.444 315 D N 0.001 120.359 120.400 -0.070 0.000 2.117 315 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 315 D C 1.711 177.998 176.300 -0.021 0.000 0.987 315 D CA 1.221 55.198 54.000 -0.038 0.000 0.829 315 D CB -0.419 40.362 40.800 -0.032 0.000 0.961 315 D HN 0.372 nan 8.370 nan 0.000 0.460 316 N N 0.471 119.147 118.700 -0.039 0.000 2.166 316 N HA -0.080 4.659 4.740 -0.001 0.000 0.186 316 N C 2.034 177.524 175.510 -0.033 0.000 1.019 316 N CA 0.433 53.460 53.050 -0.037 0.000 0.856 316 N CB -0.226 38.228 38.487 -0.055 0.000 0.993 316 N HN 0.295 nan 8.380 nan 0.000 0.426 317 I N 0.974 121.510 120.570 -0.056 0.000 2.394 317 I HA -0.182 3.987 4.170 -0.001 0.000 0.251 317 I C 2.206 178.415 176.117 0.153 0.000 1.136 317 I CA 0.742 62.038 61.300 -0.006 0.000 1.425 317 I CB -0.080 37.870 38.000 -0.084 0.000 1.079 317 I HN 0.074 nan 8.210 nan 0.000 0.425 318 R N 0.125 120.724 120.500 0.165 0.000 2.091 318 R HA -0.137 4.202 4.340 -0.001 0.000 0.238 318 R C 2.297 178.668 176.300 0.118 0.000 1.136 318 R CA 1.938 58.195 56.100 0.261 0.000 0.959 318 R CB -0.790 29.612 30.300 0.171 0.000 0.856 318 R HN 0.325 nan 8.270 nan 0.000 0.437 319 T N 1.535 116.121 114.554 0.054 0.000 2.684 319 T HA -0.115 4.234 4.350 -0.001 0.000 0.267 319 T C 1.945 176.645 174.700 0.000 0.000 1.036 319 T CA 1.306 63.419 62.100 0.021 0.000 1.148 319 T CB -0.182 68.692 68.868 0.010 0.000 0.863 319 T HN 0.146 nan 8.240 nan 0.000 0.436 320 I N 0.997 121.566 120.570 -0.003 0.000 2.163 320 I HA -0.211 3.958 4.170 -0.001 0.000 0.243 320 I C 2.975 179.055 176.117 -0.062 0.000 1.085 320 I CA 1.270 62.556 61.300 -0.023 0.000 1.347 320 I CB -0.423 37.565 38.000 -0.020 0.000 1.044 320 I HN 0.223 nan 8.210 nan 0.000 0.408 321 Q N 1.515 121.257 119.800 -0.096 0.000 2.096 321 Q HA -0.231 4.108 4.340 -0.001 0.000 0.204 321 Q C 2.306 178.176 176.000 -0.217 0.000 0.982 321 Q CA 1.811 57.447 55.803 -0.280 0.000 0.850 321 Q CB -0.093 28.213 28.738 -0.720 0.000 0.901 321 Q HN 0.469 nan 8.270 nan 0.000 0.422 322 R N -0.767 119.660 120.500 -0.120 0.000 2.115 322 R HA -0.045 4.294 4.340 -0.001 0.000 0.230 322 R C 2.403 178.665 176.300 -0.063 0.000 1.111 322 R CA 1.660 57.713 56.100 -0.078 0.000 0.976 322 R CB -0.208 30.077 30.300 -0.025 0.000 0.870 322 R HN 0.240 nan 8.270 nan 0.000 0.445 323 T N 1.192 115.714 114.554 -0.052 0.000 2.777 323 T HA -0.036 4.313 4.350 -0.001 0.000 0.266 323 T C 1.735 176.407 174.700 -0.047 0.000 1.040 323 T CA 0.979 63.056 62.100 -0.038 0.000 1.141 323 T CB -0.005 68.848 68.868 -0.026 0.000 0.868 323 T HN 0.132 nan 8.240 nan 0.000 0.444 324 L N 0.626 121.810 121.223 -0.065 0.000 2.341 324 L HA 0.186 4.525 4.340 -0.001 0.000 0.214 324 L C 0.946 177.770 176.870 -0.076 0.000 1.115 324 L CA 0.069 54.870 54.840 -0.064 0.000 0.820 324 L CB -0.507 41.511 42.059 -0.069 0.000 0.944 324 L HN 0.276 nan 8.230 nan 0.000 0.452 325 N N 1.095 119.734 118.700 -0.103 0.000 2.714 325 N HA -0.212 4.527 4.740 -0.001 0.000 0.253 325 N C -0.552 174.888 175.510 -0.116 0.000 1.024 325 N CA 0.639 53.625 53.050 -0.107 0.000 0.726 325 N CB -1.109 37.337 38.487 -0.068 0.000 0.908 325 N HN 0.570 nan 8.380 nan 0.000 0.542 326 I N -3.524 116.951 120.570 -0.159 0.000 3.002 326 I HA 0.812 4.982 4.170 -0.001 0.000 0.310 326 I C 1.051 177.029 176.117 -0.233 0.000 1.087 326 I CA -1.053 60.153 61.300 -0.156 0.000 1.017 326 I CB 1.780 39.708 38.000 -0.120 0.000 1.226 326 I HN 0.031 nan 8.210 nan 0.000 0.443 327 G N 1.165 109.853 108.800 -0.187 0.000 2.483 327 G HA2 0.289 4.248 3.960 -0.001 0.000 0.248 327 G HA3 0.289 4.248 3.960 -0.001 0.000 0.248 327 G C -0.029 174.763 174.900 -0.180 0.000 1.248 327 G CA -0.364 44.627 45.100 -0.181 0.000 0.838 327 G HN 0.630 nan 8.290 nan 0.000 0.566 328 F N 0.630 120.559 119.950 -0.034 0.000 2.154 328 F HA -0.123 4.403 4.527 -0.002 0.000 0.301 328 F C 2.588 178.372 175.800 -0.027 0.000 1.087 328 F CA 1.777 59.761 58.000 -0.027 0.000 1.274 328 F CB 0.022 39.006 39.000 -0.026 0.000 1.009 328 F HN 0.524 nan 8.300 nan 0.000 0.485 329 D N -0.370 120.106 120.400 0.127 0.000 2.378 329 D HA -0.038 4.601 4.640 -0.001 0.000 0.227 329 D C 0.818 177.113 176.300 -0.007 0.000 1.012 329 D CA 0.664 54.694 54.000 0.051 0.000 0.905 329 D CB -0.788 40.026 40.800 0.024 0.000 0.895 329 D HN 0.316 nan 8.370 nan 0.000 0.532 333 F N 5.757 125.757 119.950 0.084 0.000 2.449 333 F HA 0.820 5.346 4.527 -0.001 0.000 0.342 333 F C -1.040 174.799 175.800 0.066 0.000 1.127 333 F CA -0.961 57.084 58.000 0.074 0.000 0.975 333 F CB 1.334 40.366 39.000 0.053 0.000 1.146 333 F HN 0.389 nan 8.300 nan 0.000 0.444 334 L N 6.278 127.250 121.223 -0.418 0.000 2.305 334 L HA 0.482 4.821 4.340 -0.001 0.000 0.284 334 L C -1.089 175.347 176.870 -0.723 0.000 1.013 334 L CA -0.543 54.023 54.840 -0.457 0.000 0.819 334 L CB 1.533 43.542 42.059 -0.083 0.000 1.227 334 L HN 0.541 nan 8.230 nan 0.000 0.417 335 D N 2.119 122.097 120.400 -0.704 0.000 2.990 335 D HA 0.046 4.685 4.640 -0.001 0.000 0.227 335 D C 0.036 176.155 176.300 -0.302 0.000 1.249 335 D CA -0.309 53.390 54.000 -0.502 0.000 0.891 335 D CB 2.381 42.827 40.800 -0.591 0.000 1.647 335 D HN 0.674 nan 8.370 nan 0.000 0.530 336 D N 1.867 122.161 120.400 -0.176 0.000 2.317 336 D HA -0.133 4.506 4.640 -0.001 0.000 0.211 336 D C 0.159 176.436 176.300 -0.039 0.000 0.966 336 D CA 0.020 53.964 54.000 -0.094 0.000 0.876 336 D CB 0.306 41.142 40.800 0.061 0.000 0.927 336 D HN 0.114 nan 8.370 nan 0.000 0.519 337 N N 1.710 120.404 118.700 -0.010 0.000 2.414 337 N HA 0.082 4.821 4.740 -0.001 0.000 0.256 337 N C -1.643 173.878 175.510 0.019 0.000 1.029 337 N CA -1.752 51.336 53.050 0.063 0.000 0.948 337 N CB 2.014 40.588 38.487 0.144 0.000 1.102 337 N HN -0.134 nan 8.380 nan 0.000 0.496 338 P HA -0.102 nan 4.420 nan 0.000 0.218 338 P C 1.104 178.277 177.300 -0.211 0.000 1.149 338 P CA 1.216 64.184 63.100 -0.221 0.000 0.817 338 P CB 0.046 31.500 31.700 -0.409 0.000 0.785 339 F N 0.922 120.894 119.950 0.037 0.000 2.146 339 F HA -0.089 4.438 4.527 -0.001 0.000 0.298 339 F C 2.543 178.392 175.800 0.083 0.000 1.096 339 F CA 1.104 59.136 58.000 0.054 0.000 1.275 339 F CB -1.155 37.877 39.000 0.054 0.000 1.008 339 F HN -0.124 nan 8.300 nan 0.000 0.480 340 E N 0.627 120.994 120.200 0.278 0.000 2.051 340 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 340 E C 2.325 179.095 176.600 0.283 0.000 0.991 340 E CA 1.015 57.572 56.400 0.261 0.000 0.799 340 E CB -0.472 29.390 29.700 0.269 0.000 0.748 340 E HN 0.445 nan 8.360 nan 0.000 0.449 341 R N 0.837 121.453 120.500 0.193 0.000 2.083 341 R HA -0.080 4.259 4.340 -0.001 0.000 0.237 341 R C 1.155 177.535 176.300 0.132 0.000 1.137 341 R CA 0.698 56.899 56.100 0.168 0.000 0.951 341 R CB -0.386 29.920 30.300 0.011 0.000 0.851 341 R HN 0.137 nan 8.270 nan 0.000 0.434 345 R N 0.946 121.471 120.500 0.042 0.000 2.083 345 R HA -0.173 4.166 4.340 -0.001 0.000 0.237 345 R C 1.967 178.228 176.300 -0.064 0.000 1.137 345 R CA 2.217 58.317 56.100 0.000 0.000 0.951 345 R CB -0.090 30.212 30.300 0.003 0.000 0.851 345 R HN 0.666 nan 8.270 nan 0.000 0.434 346 E N -1.052 119.076 120.200 -0.120 0.000 2.112 346 E HA -0.125 4.224 4.350 -0.001 0.000 0.190 346 E C 1.565 177.969 176.600 -0.326 0.000 0.979 346 E CA 0.976 57.220 56.400 -0.259 0.000 0.814 346 E CB 0.023 29.475 29.700 -0.413 0.000 0.762 346 E HN 0.567 nan 8.360 nan 0.000 0.460 347 H N -0.881 118.151 119.070 -0.064 0.000 2.595 347 H HA 0.126 4.681 4.556 -0.001 0.000 0.265 347 H C -0.095 175.135 175.328 -0.164 0.000 0.953 347 H CA 0.130 56.121 56.048 -0.094 0.000 1.197 347 H CB 0.984 30.701 29.762 -0.075 0.000 1.438 347 H HN -0.126 nan 8.280 nan 0.000 0.531 348 V N 2.418 122.271 119.914 -0.102 0.000 2.320 348 V HA 0.234 4.354 4.120 -0.001 0.000 0.257 348 V C -2.498 173.463 176.094 -0.221 0.000 0.996 348 V CA -1.786 60.351 62.300 -0.272 0.000 0.928 348 V CB 0.511 32.140 31.823 -0.324 0.000 1.169 348 V HN 0.033 nan 8.190 nan 0.000 0.475 349 P HA 0.312 nan 4.420 nan 0.000 0.266 349 P C 1.193 178.446 177.300 -0.077 0.000 1.195 349 P CA 1.638 64.675 63.100 -0.105 0.000 0.768 349 P CB 0.946 32.593 31.700 -0.089 0.000 0.838 350 G N 0.756 109.546 108.800 -0.017 0.000 2.349 350 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.213 350 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.213 350 G C -0.026 174.914 174.900 0.065 0.000 1.044 350 G CA -0.158 44.963 45.100 0.036 0.000 0.633 350 G HN 0.546 nan 8.290 nan 0.000 0.506 351 V N 3.039 122.995 119.914 0.071 0.000 2.585 351 V HA 0.409 4.528 4.120 -0.001 0.000 0.296 351 V C 0.953 177.095 176.094 0.080 0.000 1.035 351 V CA 0.864 63.225 62.300 0.102 0.000 1.084 351 V CB 1.173 33.060 31.823 0.107 0.000 0.953 351 V HN 0.391 nan 8.190 nan 0.000 0.483 352 T N 5.344 119.945 114.554 0.079 0.000 2.761 352 T HA 0.362 4.711 4.350 -0.001 0.000 0.296 352 T C -0.039 174.721 174.700 0.100 0.000 0.934 352 T CA -0.173 61.961 62.100 0.056 0.000 1.091 352 T CB 0.862 69.735 68.868 0.009 0.000 0.896 352 T HN 0.431 nan 8.240 nan 0.000 0.515 353 V N 7.263 127.228 119.914 0.086 0.000 2.276 353 V HA 0.273 4.392 4.120 -0.001 0.000 0.268 353 V C -2.266 173.851 176.094 0.037 0.000 1.032 353 V CA -1.958 60.403 62.300 0.101 0.000 0.810 353 V CB 0.669 32.583 31.823 0.151 0.000 1.060 353 V HN 0.675 nan 8.190 nan 0.000 0.446 354 P HA 0.103 nan 4.420 nan 0.000 0.268 354 P C -0.007 177.316 177.300 0.039 0.000 1.205 354 P CA -0.052 63.096 63.100 0.080 0.000 0.771 354 P CB 0.659 32.424 31.700 0.107 0.000 0.858 355 E N 3.613 123.853 120.200 0.066 0.000 1.852 355 E HA 0.105 4.454 4.350 -0.001 0.000 0.276 355 E C -0.495 175.851 176.600 -0.422 0.000 1.163 355 E CA -0.012 56.307 56.400 -0.136 0.000 1.117 355 E CB -1.327 28.302 29.700 -0.117 0.000 1.124 355 E HN 0.320 nan 8.360 nan 0.000 0.458 356 L N 4.780 125.786 121.223 -0.362 0.000 2.525 356 L HA 0.121 4.460 4.340 -0.001 0.000 0.278 356 L C -1.496 175.097 176.870 -0.463 0.000 1.218 356 L CA -1.263 53.269 54.840 -0.513 0.000 0.878 356 L CB 0.017 41.721 42.059 -0.592 0.000 1.127 356 L HN 0.438 nan 8.230 nan 0.000 0.492 357 P HA 0.028 nan 4.420 nan 0.000 0.272 357 P C 0.086 177.356 177.300 -0.050 0.000 1.240 357 P CA -0.339 62.611 63.100 -0.250 0.000 0.791 357 P CB 0.876 32.443 31.700 -0.221 0.000 0.978 358 E N -0.567 119.594 120.200 -0.065 0.000 2.150 358 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 358 E C 0.427 177.009 176.600 -0.030 0.000 0.985 358 E CA 0.777 57.166 56.400 -0.019 0.000 0.814 358 E CB -0.012 29.663 29.700 -0.042 0.000 0.752 358 E HN 0.444 nan 8.360 nan 0.000 0.466 359 D N -0.520 119.814 120.400 -0.110 0.000 2.316 359 D HA 0.040 4.679 4.640 -0.001 0.000 0.245 359 D C -1.967 174.028 176.300 -0.509 0.000 1.171 359 D CA -2.283 51.582 54.000 -0.225 0.000 0.856 359 D CB 1.437 42.128 40.800 -0.183 0.000 1.090 359 D HN -0.126 nan 8.370 nan 0.000 0.476 360 P HA -0.024 nan 4.420 nan 0.000 0.221 360 P C 1.216 177.838 177.300 -1.130 0.000 1.145 360 P CA 0.737 62.798 63.100 -1.731 0.000 0.795 360 P CB 0.251 31.076 31.700 -1.458 0.000 0.775 361 G N -0.681 107.732 108.800 -0.645 0.000 2.559 361 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.216 361 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.216 361 G C 0.901 175.599 174.900 -0.336 0.000 1.126 361 G CA 0.560 45.407 45.100 -0.421 0.000 0.778 361 G HN 0.205 nan 8.290 nan 0.000 0.543 362 D N -1.366 118.829 120.400 -0.341 0.000 2.398 362 D HA 0.107 4.746 4.640 -0.001 0.000 0.210 362 D C 1.434 177.654 176.300 -0.133 0.000 1.094 362 D CA -0.358 53.519 54.000 -0.206 0.000 0.839 362 D CB 0.137 40.847 40.800 -0.150 0.000 0.963 362 D HN 0.161 nan 8.370 nan 0.000 0.506 363 Y N 0.966 121.045 120.300 -0.367 0.000 2.097 363 Y HA -0.157 4.393 4.550 -0.002 0.000 0.282 363 Y C 2.242 177.870 175.900 -0.454 0.000 1.152 363 Y CA 0.462 58.304 58.100 -0.429 0.000 1.136 363 Y CB -0.884 37.147 38.460 -0.714 0.000 0.975 363 Y HN 0.032 nan 8.280 nan 0.000 0.498 364 L N 0.286 121.285 121.223 -0.373 0.000 2.027 364 L HA -0.116 4.223 4.340 -0.001 0.000 0.206 364 L C 2.214 178.509 176.870 -0.958 0.000 1.074 364 L CA 1.739 56.161 54.840 -0.696 0.000 0.745 364 L CB -0.755 40.944 42.059 -0.599 0.000 0.898 364 L HN 0.070 nan 8.230 nan 0.000 0.433 365 E N -1.235 118.591 120.200 -0.623 0.000 2.110 365 E HA -0.285 4.064 4.350 -0.001 0.000 0.193 365 E C 2.093 178.541 176.600 -0.255 0.000 0.988 365 E CA 1.453 57.590 56.400 -0.439 0.000 0.804 365 E CB -0.459 29.121 29.700 -0.199 0.000 0.745 365 E HN 0.625 nan 8.360 nan 0.000 0.458 366 Y N 1.438 121.562 120.300 -0.293 0.000 2.145 366 Y HA -0.163 4.386 4.550 -0.002 0.000 0.286 366 Y C 2.189 177.980 175.900 -0.181 0.000 1.145 366 Y CA 1.345 59.327 58.100 -0.197 0.000 1.148 366 Y CB -0.471 37.885 38.460 -0.173 0.000 0.981 366 Y HN -0.078 nan 8.280 nan 0.000 0.507 367 L N -0.958 119.983 121.223 -0.470 0.000 2.127 367 L HA -0.274 4.065 4.340 -0.001 0.000 0.211 367 L C 2.194 178.934 176.870 -0.217 0.000 1.089 367 L CA 1.105 55.666 54.840 -0.465 0.000 0.757 367 L CB -0.861 40.893 42.059 -0.509 0.000 0.899 367 L HN 0.253 nan 8.230 nan 0.000 0.434 368 Y N 0.376 120.525 120.300 -0.252 0.000 2.256 368 Y HA -0.236 4.314 4.550 -0.002 0.000 0.288 368 Y C 3.049 178.888 175.900 -0.102 0.000 1.155 368 Y CA 1.367 59.394 58.100 -0.121 0.000 1.203 368 Y CB -1.617 36.774 38.460 -0.114 0.000 0.980 368 Y HN 0.368 nan 8.280 nan 0.000 0.530 369 T N -2.771 111.763 114.554 -0.034 0.000 3.072 369 T HA -0.037 4.313 4.350 -0.001 0.000 0.266 369 T C 1.626 176.297 174.700 -0.048 0.000 1.127 369 T CA 0.785 62.879 62.100 -0.010 0.000 1.107 369 T CB -0.542 68.308 68.868 -0.031 0.000 0.910 369 T HN 0.335 nan 8.240 nan 0.000 0.513 370 L N 0.064 121.206 121.223 -0.135 0.000 2.513 370 L HA 0.322 4.661 4.340 -0.001 0.000 0.222 370 L C 0.916 177.778 176.870 -0.014 0.000 1.096 370 L CA -0.048 54.723 54.840 -0.115 0.000 0.857 370 L CB -0.728 41.201 42.059 -0.217 0.000 1.026 370 L HN 0.276 nan 8.230 nan 0.000 0.469 371 N N 0.850 119.586 118.700 0.061 0.000 2.669 371 N HA -0.221 4.518 4.740 -0.001 0.000 0.266 371 N C 0.562 176.115 175.510 0.071 0.000 1.024 371 N CA 0.231 53.348 53.050 0.112 0.000 0.766 371 N CB -0.921 37.618 38.487 0.088 0.000 0.898 371 N HN 0.273 nan 8.380 nan 0.000 0.548 372 L N -0.841 120.419 121.223 0.062 0.000 2.217 372 L HA -0.014 4.326 4.340 -0.001 0.000 0.211 372 L C 0.831 177.446 176.870 -0.425 0.000 1.107 372 L CA 0.903 55.607 54.840 -0.226 0.000 0.783 372 L CB -0.161 41.684 42.059 -0.357 0.000 0.919 372 L HN 0.293 nan 8.230 nan 0.000 0.442 373 F N -0.760 119.282 119.950 0.152 0.000 2.855 373 F HA 0.229 4.756 4.527 -0.002 0.000 0.317 373 F C 0.804 176.661 175.800 0.095 0.000 1.169 373 F CA -0.970 57.101 58.000 0.118 0.000 1.299 373 F CB -0.102 38.939 39.000 0.069 0.000 0.962 373 F HN -0.161 nan 8.300 nan 0.000 0.506 374 E N 1.173 121.481 120.200 0.180 0.000 2.481 374 E HA 0.141 4.490 4.350 -0.001 0.000 0.263 374 E C 0.240 176.906 176.600 0.109 0.000 0.992 374 E CA 0.685 57.160 56.400 0.124 0.000 0.938 374 E CB 0.574 30.323 29.700 0.081 0.000 0.933 374 E HN 0.203 nan 8.360 nan 0.000 0.453 375 T N 1.290 115.861 114.554 0.028 0.000 2.812 375 T HA 0.827 5.177 4.350 -0.001 0.000 0.294 375 T C -1.520 173.110 174.700 -0.116 0.000 1.159 375 T CA 0.040 62.062 62.100 -0.130 0.000 1.008 375 T CB 0.937 69.711 68.868 -0.157 0.000 1.289 375 T HN 0.598 nan 8.240 nan 0.000 0.514 376 A N 0.000 122.676 122.820 -0.240 0.000 2.254 376 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 376 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 376 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 376 A HN 0.000 nan 8.150 nan 0.000 0.486