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 2w55_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEIAFLLNGE TRRVRIEDPT QSLLEWLRAE GLTGTKEGCN EGDCGACTVM DATA SEQUENCE IRDAAGSRAV NACLMMLPQI AGKALRTIEG IAAPDGRLHP VQQAMIDHHG DATA SEQUENCE SQCGFCTPGF IVSMAAAHDR DRKDYDDLLA GNLCRCTGYA PILRAAEAAA DATA SEQUENCE GEPPADWLQA DAAFTLXXXX XXXXXXXXPA FLPETSDALA DWYLAHPEAT DATA SEQUENCE LIAGGTDVSL WVTKALRDLP EVAFLSHCKD LAQIRETPDG YGIGAGVTIA DATA SEQUENCE ALRAFAEGPH PALAGLLRRF ASEQVRQVAT IGGNIANGSP IGDGPPALIA DATA SEQUENCE MGASLTLRRG QERRRMPLED FFLEYRKQDR RPGEFVESVT LPKSAPGLRC DATA SEQUENCE YKLSKRFDQD ISAVCGCLNL TLKGSKIETA RIAFGGMAGV PKRAAAFEAA DATA SEQUENCE LIGQDFREDT IAAALPLLAQ DFTPLSDMRA SAAYRMNAAQ AMALRYVREL DATA SEQUENCE SGEAVAVLEV MP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.303 55.300 0.006 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 E N 5.071 125.260 120.200 -0.019 0.000 2.210 2 E HA 0.754 5.104 4.350 0.001 0.000 0.266 2 E C -1.708 174.865 176.600 -0.046 0.000 0.883 2 E CA -0.705 55.681 56.400 -0.024 0.000 0.761 2 E CB 1.725 31.413 29.700 -0.020 0.000 1.156 2 E HN 0.640 nan 8.360 nan 0.000 0.412 3 I N 0.401 120.944 120.570 -0.044 0.000 2.689 3 I HA 0.870 5.040 4.170 0.001 0.000 0.299 3 I C -0.906 175.190 176.117 -0.035 0.000 1.059 3 I CA -0.908 60.367 61.300 -0.040 0.000 1.055 3 I CB 2.173 40.144 38.000 -0.049 0.000 1.243 3 I HN 0.465 nan 8.210 nan 0.000 0.425 4 A N 4.585 127.401 122.820 -0.007 0.000 2.380 4 A HA 0.991 5.311 4.320 0.001 0.000 0.315 4 A C -0.972 176.666 177.584 0.091 0.000 1.101 4 A CA -0.527 51.465 52.037 -0.074 0.000 0.771 4 A CB 1.235 20.227 19.000 -0.012 0.000 1.287 4 A HN 0.969 nan 8.150 nan 0.000 0.436 5 F N -1.205 118.736 119.950 -0.015 0.000 2.817 5 F HA 0.660 5.187 4.527 -0.000 0.000 0.317 5 F C -1.549 173.986 175.800 -0.442 0.000 1.168 5 F CA -1.227 56.638 58.000 -0.225 0.000 0.911 5 F CB 1.179 40.019 39.000 -0.267 0.000 1.337 5 F HN 0.398 nan 8.300 nan 0.000 0.464 6 L N 2.878 123.770 121.223 -0.553 0.000 2.287 6 L HA 0.551 4.891 4.340 0.001 0.000 0.280 6 L C -1.036 175.795 176.870 -0.064 0.000 1.055 6 L CA -0.628 53.914 54.840 -0.498 0.000 0.863 6 L CB 0.608 42.131 42.059 -0.892 0.000 1.245 6 L HN 0.671 nan 8.230 nan 0.000 0.432 7 L N 5.545 126.818 121.223 0.082 0.000 2.295 7 L HA 0.405 4.745 4.340 0.001 0.000 0.288 7 L C 0.098 177.025 176.870 0.095 0.000 1.079 7 L CA 0.226 55.170 54.840 0.173 0.000 0.830 7 L CB -0.226 42.026 42.059 0.322 0.000 1.200 7 L HN 0.684 nan 8.230 nan 0.000 0.438 8 N N 4.546 123.291 118.700 0.074 0.000 2.686 8 N HA -0.218 4.522 4.740 0.001 0.000 0.261 8 N C 1.043 176.598 175.510 0.074 0.000 1.001 8 N CA 1.271 54.368 53.050 0.078 0.000 0.764 8 N CB -1.271 37.266 38.487 0.084 0.000 0.898 8 N HN 1.127 nan 8.380 nan 0.000 0.544 9 G N -1.085 107.753 108.800 0.063 0.000 2.579 9 G HA2 -0.362 3.599 3.960 0.001 0.000 0.222 9 G HA3 -0.362 3.599 3.960 0.001 0.000 0.222 9 G C -0.076 174.861 174.900 0.060 0.000 1.201 9 G CA 0.374 45.517 45.100 0.071 0.000 0.710 9 G HN 0.573 nan 8.290 nan 0.000 0.516 10 E N 2.273 122.504 120.200 0.051 0.000 2.413 10 E HA 0.416 4.767 4.350 0.001 0.000 0.263 10 E C 0.548 177.166 176.600 0.029 0.000 1.015 10 E CA 0.580 57.006 56.400 0.043 0.000 0.916 10 E CB 0.430 30.154 29.700 0.041 0.000 0.947 10 E HN 0.512 nan 8.360 nan 0.000 0.440 11 T N 1.211 115.794 114.554 0.048 0.000 2.780 11 T HA 0.448 4.799 4.350 0.001 0.000 0.294 11 T C -0.122 174.551 174.700 -0.045 0.000 0.949 11 T CA -0.945 61.191 62.100 0.060 0.000 1.074 11 T CB 1.001 69.953 68.868 0.140 0.000 0.910 11 T HN 0.286 nan 8.240 nan 0.000 0.501 12 R N 1.947 122.329 120.500 -0.198 0.000 2.561 12 R HA 0.511 4.851 4.340 0.001 0.000 0.297 12 R C -0.808 175.207 176.300 -0.476 0.000 0.969 12 R CA -0.761 55.145 56.100 -0.323 0.000 0.879 12 R CB 1.223 31.293 30.300 -0.382 0.000 1.178 12 R HN 0.702 nan 8.270 nan 0.000 0.445 13 R N 2.543 122.883 120.500 -0.267 0.000 2.664 13 R HA 0.704 5.044 4.340 0.001 0.000 0.286 13 R C -0.901 175.311 176.300 -0.146 0.000 0.967 13 R CA -1.113 54.855 56.100 -0.220 0.000 0.933 13 R CB 2.134 32.374 30.300 -0.099 0.000 1.146 13 R HN 0.345 nan 8.270 nan 0.000 0.468 14 V N 1.818 121.668 119.914 -0.106 0.000 2.841 14 V HA 0.411 4.532 4.120 0.001 0.000 0.310 14 V C -0.452 175.663 176.094 0.035 0.000 1.090 14 V CA -1.018 61.296 62.300 0.024 0.000 0.930 14 V CB 2.340 34.180 31.823 0.028 0.000 1.014 14 V HN 0.676 nan 8.190 nan 0.000 0.425 15 R N 3.953 124.501 120.500 0.080 0.000 2.215 15 R HA 0.474 4.815 4.340 0.001 0.000 0.337 15 R C -0.811 175.534 176.300 0.075 0.000 1.010 15 R CA -0.605 55.531 56.100 0.060 0.000 0.871 15 R CB 0.500 30.835 30.300 0.058 0.000 1.134 15 R HN 0.616 nan 8.270 nan 0.000 0.477 16 I N 5.042 125.639 120.570 0.045 0.000 2.436 16 I HA 0.026 4.197 4.170 0.001 0.000 0.289 16 I C 0.583 176.737 176.117 0.061 0.000 1.083 16 I CA 0.658 61.987 61.300 0.049 0.000 1.372 16 I CB 1.136 39.145 38.000 0.014 0.000 1.408 16 I HN 0.853 nan 8.210 nan 0.000 0.516 17 E N 2.563 122.810 120.200 0.078 0.000 2.500 17 E HA 0.040 4.391 4.350 0.001 0.000 0.217 17 E C -0.348 176.301 176.600 0.083 0.000 0.848 17 E CA -0.044 56.401 56.400 0.075 0.000 1.217 17 E CB 0.823 30.566 29.700 0.072 0.000 1.217 17 E HN 0.519 nan 8.360 nan 0.000 0.573 18 D N 1.123 121.579 120.400 0.094 0.000 2.440 18 D HA 0.129 4.769 4.640 0.001 0.000 0.239 18 D C -1.880 174.487 176.300 0.113 0.000 1.084 18 D CA -2.357 51.704 54.000 0.101 0.000 0.843 18 D CB 1.688 42.548 40.800 0.101 0.000 1.097 18 D HN -0.181 nan 8.370 nan 0.000 0.531 19 P HA 0.015 nan 4.420 nan 0.000 0.235 19 P C 0.941 178.374 177.300 0.221 0.000 1.177 19 P CA 0.418 63.630 63.100 0.186 0.000 0.785 19 P CB 0.494 32.342 31.700 0.246 0.000 0.885 20 T N -1.200 113.452 114.554 0.163 0.000 3.069 20 T HA 0.044 4.395 4.350 0.001 0.000 0.252 20 T C 0.714 175.484 174.700 0.117 0.000 1.053 20 T CA -0.225 61.963 62.100 0.146 0.000 0.964 20 T CB -0.465 68.473 68.868 0.117 0.000 1.005 20 T HN 0.040 nan 8.240 nan 0.000 0.532 21 Q N 2.588 122.456 119.800 0.115 0.000 2.271 21 Q HA 0.190 4.531 4.340 0.001 0.000 0.273 21 Q C 0.387 176.446 176.000 0.098 0.000 1.051 21 Q CA -0.277 55.593 55.803 0.113 0.000 0.901 21 Q CB 0.610 29.433 28.738 0.142 0.000 1.174 21 Q HN 0.558 nan 8.270 nan 0.000 0.385 22 S N 3.214 118.966 115.700 0.087 0.000 2.587 22 S HA -0.048 4.423 4.470 0.001 0.000 0.260 22 S C 0.905 175.549 174.600 0.073 0.000 1.353 22 S CA -0.560 57.677 58.200 0.061 0.000 0.995 22 S CB 0.620 63.852 63.200 0.053 0.000 0.912 22 S HN 0.756 nan 8.310 nan 0.000 0.568 23 L N 1.322 122.560 121.223 0.025 0.000 2.179 23 L HA 0.235 4.576 4.340 0.001 0.000 0.208 23 L C 2.184 179.112 176.870 0.097 0.000 1.096 23 L CA 1.202 56.057 54.840 0.025 0.000 0.779 23 L CB -1.029 40.976 42.059 -0.089 0.000 0.922 23 L HN 0.910 nan 8.230 nan 0.000 0.443 24 L N -0.728 120.533 121.223 0.064 0.000 2.012 24 L HA -0.228 4.112 4.340 0.001 0.000 0.210 24 L C 2.572 179.496 176.870 0.091 0.000 1.073 24 L CA 1.432 56.311 54.840 0.066 0.000 0.748 24 L CB -0.315 41.772 42.059 0.047 0.000 0.891 24 L HN 0.333 nan 8.230 nan 0.000 0.431 25 E N -0.611 119.650 120.200 0.102 0.000 2.021 25 E HA -0.328 4.022 4.350 0.001 0.000 0.200 25 E C 1.676 178.353 176.600 0.129 0.000 1.015 25 E CA 2.064 58.526 56.400 0.103 0.000 0.824 25 E CB -0.876 28.891 29.700 0.112 0.000 0.762 25 E HN 0.638 nan 8.360 nan 0.000 0.454 26 W N 1.856 123.162 121.300 0.009 0.000 2.302 26 W HA -0.230 4.434 4.660 0.007 0.000 0.320 26 W C 2.342 178.875 176.519 0.022 0.000 1.241 26 W CA 1.969 59.326 57.345 0.020 0.000 1.264 26 W CB -0.546 28.925 29.460 0.017 0.000 1.154 26 W HN -0.006 nan 8.180 nan 0.000 0.483 27 L N -0.030 121.371 121.223 0.297 0.000 1.970 27 L HA -0.266 4.074 4.340 0.001 0.000 0.212 27 L C 2.762 179.614 176.870 -0.030 0.000 1.071 27 L CA 1.911 56.840 54.840 0.149 0.000 0.751 27 L CB -1.078 41.089 42.059 0.180 0.000 0.889 27 L HN -0.052 nan 8.230 nan 0.000 0.432 28 R N -0.167 120.330 120.500 -0.004 0.000 2.091 28 R HA -0.162 4.179 4.340 0.001 0.000 0.238 28 R C 2.393 178.646 176.300 -0.077 0.000 1.136 28 R CA 1.373 57.456 56.100 -0.028 0.000 0.959 28 R CB -0.553 29.749 30.300 0.002 0.000 0.856 28 R HN 0.398 nan 8.270 nan 0.000 0.437 29 A N 1.164 123.918 122.820 -0.111 0.000 1.933 29 A HA -0.166 4.154 4.320 0.001 0.000 0.218 29 A C 1.939 179.375 177.584 -0.247 0.000 1.175 29 A CA 1.220 53.163 52.037 -0.157 0.000 0.628 29 A CB -0.230 18.674 19.000 -0.159 0.000 0.814 29 A HN 0.178 nan 8.150 nan 0.000 0.444 30 E N -1.726 118.236 120.200 -0.396 0.000 2.208 30 E HA 0.030 4.381 4.350 0.001 0.000 0.193 30 E C 1.453 177.914 176.600 -0.233 0.000 0.988 30 E CA 1.044 57.172 56.400 -0.453 0.000 0.828 30 E CB 0.029 29.245 29.700 -0.807 0.000 0.763 30 E HN 0.763 nan 8.360 nan 0.000 0.478 31 G N -0.180 108.527 108.800 -0.156 0.000 2.367 31 G HA2 -0.167 3.794 3.960 0.001 0.000 0.181 31 G HA3 -0.167 3.794 3.960 0.001 0.000 0.181 31 G C 0.119 174.988 174.900 -0.051 0.000 1.000 31 G CA -0.226 44.823 45.100 -0.086 0.000 0.693 31 G HN 0.087 nan 8.290 nan 0.000 0.480 32 L N 2.991 124.187 121.223 -0.044 0.000 2.450 32 L HA 0.292 4.633 4.340 0.001 0.000 0.256 32 L C 1.816 178.680 176.870 -0.010 0.000 1.374 32 L CA 1.213 56.050 54.840 -0.006 0.000 1.210 32 L CB -1.026 41.054 42.059 0.036 0.000 1.394 32 L HN 0.200 nan 8.230 nan 0.000 0.438 33 T N 0.797 115.340 114.554 -0.017 0.000 3.072 33 T HA -0.037 4.314 4.350 0.001 0.000 0.266 33 T C 1.811 176.490 174.700 -0.036 0.000 1.127 33 T CA 1.132 63.220 62.100 -0.020 0.000 1.107 33 T CB 0.176 69.036 68.868 -0.014 0.000 0.910 33 T HN 0.753 nan 8.240 nan 0.000 0.513 34 G N 0.805 109.584 108.800 -0.034 0.000 2.432 34 G HA2 -0.086 3.874 3.960 0.001 0.000 0.219 34 G HA3 -0.086 3.874 3.960 0.001 0.000 0.219 34 G C 0.783 175.635 174.900 -0.081 0.000 1.135 34 G CA 0.527 45.595 45.100 -0.054 0.000 0.767 34 G HN 0.443 nan 8.290 nan 0.000 0.550 35 T N 2.336 116.858 114.554 -0.052 0.000 2.814 35 T HA 0.403 4.753 4.350 0.001 0.000 0.297 35 T C 0.096 174.749 174.700 -0.078 0.000 0.956 35 T CA -0.088 61.979 62.100 -0.055 0.000 1.123 35 T CB 1.383 70.244 68.868 -0.012 0.000 0.902 35 T HN 0.008 nan 8.240 nan 0.000 0.528 36 K N 2.516 122.840 120.400 -0.127 0.000 2.245 36 K HA 0.500 4.821 4.320 0.001 0.000 0.234 36 K C 0.017 176.629 176.600 0.020 0.000 1.021 36 K CA -0.842 55.358 56.287 -0.144 0.000 0.898 36 K CB 1.431 33.580 32.500 -0.585 0.000 1.163 36 K HN 0.562 nan 8.250 nan 0.000 0.459 37 E N -0.460 119.832 120.200 0.152 0.000 2.171 37 E HA 0.383 4.734 4.350 0.001 0.000 0.271 37 E C 0.154 176.916 176.600 0.270 0.000 0.916 37 E CA -0.434 56.070 56.400 0.175 0.000 0.774 37 E CB 1.603 31.383 29.700 0.133 0.000 1.128 37 E HN 0.827 nan 8.360 nan 0.000 0.403 38 G N 0.781 109.695 108.800 0.189 0.000 2.739 38 G HA2 -0.000 3.960 3.960 0.001 0.000 0.200 38 G HA3 -0.000 3.960 3.960 0.001 0.000 0.200 38 G C 0.882 175.843 174.900 0.101 0.000 1.069 38 G CA 0.724 45.928 45.100 0.174 0.000 0.768 38 G HN 0.687 nan 8.290 nan 0.000 0.565 39 C N -3.313 116.038 119.300 0.084 0.000 5.489 39 C HA 0.300 4.761 4.460 0.001 0.000 0.410 39 C C 0.509 175.534 174.990 0.058 0.000 1.157 39 C CA -0.076 58.980 59.018 0.063 0.000 2.336 39 C CB -0.465 27.309 27.740 0.056 0.000 2.665 39 C HN 0.220 nan 8.230 nan 0.000 0.452 40 N N 1.970 120.704 118.700 0.058 0.000 2.727 40 N HA -0.154 4.587 4.740 0.001 0.000 0.251 40 N C 0.040 175.578 175.510 0.046 0.000 1.040 40 N CA 1.371 54.451 53.050 0.050 0.000 0.712 40 N CB -1.008 37.512 38.487 0.054 0.000 0.912 40 N HN 0.883 nan 8.380 nan 0.000 0.545 41 E N -1.703 118.522 120.200 0.041 0.000 2.712 41 E HA 0.265 4.615 4.350 0.001 0.000 0.221 41 E C 1.247 177.861 176.600 0.024 0.000 0.943 41 E CA 0.361 56.782 56.400 0.035 0.000 1.259 41 E CB 0.583 30.306 29.700 0.040 0.000 1.167 41 E HN 0.392 nan 8.360 nan 0.000 0.569 42 G N 1.632 110.447 108.800 0.024 0.000 2.176 42 G HA2 -0.270 3.691 3.960 0.001 0.000 0.253 42 G HA3 -0.270 3.691 3.960 0.001 0.000 0.253 42 G C 0.600 175.509 174.900 0.015 0.000 0.979 42 G CA 0.614 45.722 45.100 0.015 0.000 0.641 42 G HN 0.264 nan 8.290 nan 0.000 0.530 43 D N -0.343 120.071 120.400 0.025 0.000 2.289 43 D HA 0.036 4.677 4.640 0.001 0.000 0.207 43 D C 2.360 178.682 176.300 0.037 0.000 0.966 43 D CA 1.352 55.367 54.000 0.026 0.000 0.868 43 D CB -0.084 40.734 40.800 0.029 0.000 0.943 43 D HN 0.826 nan 8.370 nan 0.000 0.514 44 C N -1.550 117.780 119.300 0.050 0.000 3.336 44 C HA 0.624 5.085 4.460 0.001 0.000 0.291 44 C C 1.808 176.837 174.990 0.064 0.000 1.363 44 C CA 0.154 59.218 59.018 0.076 0.000 1.737 44 C CB -0.257 27.548 27.740 0.107 0.000 2.274 44 C HN 0.280 nan 8.230 nan 0.000 0.663 45 G N 1.453 110.266 108.800 0.022 0.000 2.309 45 G HA2 -0.196 3.765 3.960 0.001 0.000 0.286 45 G HA3 -0.196 3.765 3.960 0.001 0.000 0.286 45 G C 1.204 176.106 174.900 0.003 0.000 1.002 45 G CA 0.665 45.755 45.100 -0.018 0.000 0.786 45 G HN 1.564 nan 8.290 nan 0.000 0.511 46 A N -0.910 121.944 122.820 0.057 0.000 2.225 46 A HA 0.189 4.510 4.320 0.001 0.000 0.215 46 A C 2.198 179.778 177.584 -0.007 0.000 1.164 46 A CA 2.086 54.160 52.037 0.061 0.000 0.710 46 A CB -0.598 18.489 19.000 0.144 0.000 0.780 46 A HN 1.872 nan 8.150 nan 0.000 0.473 47 C N -3.098 116.200 119.300 -0.004 0.000 3.226 47 C HA 0.380 4.841 4.460 0.001 0.000 0.258 47 C C 0.498 175.472 174.990 -0.026 0.000 1.688 47 C CA -0.363 58.645 59.018 -0.016 0.000 1.774 47 C CB -1.589 26.152 27.740 0.001 0.000 3.167 47 C HN 0.233 nan 8.230 nan 0.000 0.509 48 T N 3.435 117.967 114.554 -0.036 0.000 2.758 48 T HA 0.339 4.690 4.350 0.001 0.000 0.281 48 T C 0.694 175.368 174.700 -0.044 0.000 0.963 48 T CA 0.882 62.952 62.100 -0.050 0.000 1.201 48 T CB 0.069 68.892 68.868 -0.076 0.000 0.906 48 T HN 0.843 nan 8.240 nan 0.000 0.528 49 V N 1.992 121.878 119.914 -0.047 0.000 3.211 49 V HA 0.702 4.823 4.120 0.001 0.000 0.319 49 V C -0.067 175.994 176.094 -0.055 0.000 1.096 49 V CA -1.420 60.851 62.300 -0.048 0.000 1.029 49 V CB 1.840 33.630 31.823 -0.056 0.000 1.137 49 V HN 0.816 nan 8.190 nan 0.000 0.453 50 M N 2.604 122.172 119.600 -0.053 0.000 2.181 50 M HA 0.666 5.147 4.480 0.001 0.000 0.323 50 M C -1.033 175.225 176.300 -0.070 0.000 1.004 50 M CA -0.689 54.578 55.300 -0.055 0.000 0.941 50 M CB 1.276 33.851 32.600 -0.041 0.000 1.579 50 M HN 0.847 nan 8.290 nan 0.000 0.427 51 I N 1.412 121.934 120.570 -0.080 0.000 2.863 51 I HA 0.763 4.933 4.170 0.001 0.000 0.311 51 I C -0.767 175.307 176.117 -0.071 0.000 1.026 51 I CA -0.927 60.316 61.300 -0.095 0.000 1.077 51 I CB 1.948 39.876 38.000 -0.119 0.000 1.262 51 I HN 0.782 nan 8.210 nan 0.000 0.461 52 R N 1.657 122.115 120.500 -0.069 0.000 2.604 52 R HA 0.472 4.812 4.340 0.001 0.000 0.270 52 R C -2.094 174.192 176.300 -0.023 0.000 1.052 52 R CA -0.286 55.789 56.100 -0.041 0.000 0.902 52 R CB 2.002 32.285 30.300 -0.028 0.000 1.233 52 R HN 1.033 nan 8.270 nan 0.000 0.455 53 D N 2.203 122.598 120.400 -0.008 0.000 3.236 53 D HA 0.237 4.878 4.640 0.001 0.000 0.325 53 D C 0.449 176.758 176.300 0.015 0.000 1.352 53 D CA -0.149 53.860 54.000 0.016 0.000 0.979 53 D CB -0.123 40.675 40.800 -0.004 0.000 1.410 53 D HN 0.375 nan 8.370 nan 0.000 0.588 54 A N -0.224 122.604 122.820 0.013 0.000 2.019 54 A HA 0.184 4.504 4.320 0.001 0.000 0.219 54 A C 2.029 179.608 177.584 -0.008 0.000 1.164 54 A CA 2.638 54.678 52.037 0.005 0.000 0.644 54 A CB -1.250 17.752 19.000 0.002 0.000 0.805 54 A HN 0.644 nan 8.150 nan 0.000 0.449 55 A N -1.472 121.336 122.820 -0.019 0.000 1.872 55 A HA 0.450 4.770 4.320 0.001 0.000 0.214 55 A C 1.476 179.045 177.584 -0.025 0.000 1.187 55 A CA 1.840 53.861 52.037 -0.027 0.000 0.614 55 A CB -0.651 18.325 19.000 -0.040 0.000 0.826 55 A HN 1.922 nan 8.150 nan 0.000 0.442 56 G N -1.890 106.896 108.800 -0.023 0.000 2.357 56 G HA2 0.402 4.362 3.960 0.001 0.000 0.289 56 G HA3 0.402 4.362 3.960 0.001 0.000 0.289 56 G C -0.357 174.526 174.900 -0.028 0.000 1.302 56 G CA -0.065 45.021 45.100 -0.023 0.000 0.936 56 G HN 1.266 nan 8.290 nan 0.000 0.513 57 S N -0.505 115.178 115.700 -0.028 0.000 2.499 57 S HA 0.837 5.308 4.470 0.001 0.000 0.279 57 S C 0.036 174.614 174.600 -0.036 0.000 1.219 57 S CA -0.404 57.777 58.200 -0.032 0.000 1.062 57 S CB 1.565 64.749 63.200 -0.027 0.000 0.978 57 S HN 0.797 nan 8.310 nan 0.000 0.489 58 R N 0.982 121.456 120.500 -0.044 0.000 2.771 58 R HA 0.736 5.076 4.340 0.001 0.000 0.274 58 R C -1.208 175.062 176.300 -0.050 0.000 0.987 58 R CA -0.886 55.186 56.100 -0.047 0.000 0.908 58 R CB 2.337 32.605 30.300 -0.054 0.000 1.213 58 R HN 0.798 nan 8.270 nan 0.000 0.468 59 A N 1.889 124.680 122.820 -0.048 0.000 2.271 59 A HA 0.623 4.944 4.320 0.001 0.000 0.317 59 A C -0.330 177.222 177.584 -0.054 0.000 1.245 59 A CA -0.590 51.416 52.037 -0.051 0.000 0.857 59 A CB 0.739 19.709 19.000 -0.049 0.000 1.175 59 A HN 0.494 nan 8.150 nan 0.000 0.512 60 V N 0.592 120.471 119.914 -0.058 0.000 3.040 60 V HA 0.566 4.686 4.120 0.001 0.000 0.312 60 V C -0.600 175.463 176.094 -0.051 0.000 1.115 60 V CA -1.410 60.857 62.300 -0.055 0.000 0.998 60 V CB 2.062 33.845 31.823 -0.066 0.000 1.042 60 V HN 0.759 nan 8.190 nan 0.000 0.433 61 N N 2.004 120.680 118.700 -0.041 0.000 2.430 61 N HA 0.327 5.067 4.740 0.001 0.000 0.265 61 N C 1.009 176.500 175.510 -0.032 0.000 1.100 61 N CA 0.293 53.324 53.050 -0.030 0.000 0.961 61 N CB 1.990 40.467 38.487 -0.017 0.000 1.075 61 N HN 1.021 nan 8.380 nan 0.000 0.478 62 A N 1.591 124.394 122.820 -0.029 0.000 2.121 62 A HA -0.136 4.185 4.320 0.001 0.000 0.218 62 A C 2.182 179.760 177.584 -0.009 0.000 1.154 62 A CA 0.730 52.749 52.037 -0.029 0.000 0.679 62 A CB -0.547 18.442 19.000 -0.018 0.000 0.795 62 A HN 0.910 nan 8.150 nan 0.000 0.458 63 C N -2.347 116.955 119.300 0.003 0.000 2.514 63 C HA 0.381 4.841 4.460 0.001 0.000 0.271 63 C C 1.989 176.986 174.990 0.012 0.000 1.399 63 C CA 0.326 59.355 59.018 0.018 0.000 1.765 63 C CB -1.433 26.324 27.740 0.028 0.000 1.893 63 C HN 0.426 nan 8.230 nan 0.000 0.531 64 L N -0.347 120.874 121.223 -0.004 0.000 2.513 64 L HA 0.308 4.649 4.340 0.001 0.000 0.222 64 L C 1.265 178.126 176.870 -0.015 0.000 1.096 64 L CA 0.147 54.980 54.840 -0.012 0.000 0.857 64 L CB -0.214 41.834 42.059 -0.019 0.000 1.026 64 L HN 0.242 nan 8.230 nan 0.000 0.469 65 M N 1.943 121.527 119.600 -0.026 0.000 2.108 65 M HA 0.278 4.759 4.480 0.001 0.000 0.347 65 M C -0.194 176.082 176.300 -0.040 0.000 1.326 65 M CA 0.059 55.330 55.300 -0.048 0.000 1.126 65 M CB 0.585 33.132 32.600 -0.089 0.000 1.606 65 M HN -0.044 nan 8.290 nan 0.000 0.462 66 M N 4.822 124.418 119.600 -0.007 0.000 2.217 66 M HA 0.104 4.584 4.480 0.001 0.000 0.354 66 M C 0.924 177.135 176.300 -0.148 0.000 1.225 66 M CA 0.006 55.312 55.300 0.009 0.000 1.137 66 M CB 0.460 33.188 32.600 0.214 0.000 1.576 66 M HN 0.815 nan 8.290 nan 0.000 0.461 67 L N 3.442 124.567 121.223 -0.164 0.000 2.021 67 L HA -0.188 4.153 4.340 0.001 0.000 0.215 67 L C -0.548 176.106 176.870 -0.360 0.000 1.074 67 L CA 2.002 56.671 54.840 -0.286 0.000 0.760 67 L CB -1.395 40.516 42.059 -0.247 0.000 0.889 67 L HN 0.595 nan 8.230 nan 0.000 0.433 68 P HA -0.143 nan 4.420 nan 0.000 0.242 68 P C 0.914 177.815 177.300 -0.664 0.000 1.198 68 P CA 1.021 63.734 63.100 -0.645 0.000 0.756 68 P CB 0.036 31.145 31.700 -0.984 0.000 0.911 69 Q N -0.673 118.825 119.800 -0.503 0.000 2.259 69 Q HA 0.069 4.409 4.340 0.001 0.000 0.201 69 Q C 1.819 177.716 176.000 -0.172 0.000 0.938 69 Q CA 0.585 56.221 55.803 -0.279 0.000 0.872 69 Q CB -0.190 28.405 28.738 -0.238 0.000 0.971 69 Q HN 0.379 nan 8.270 nan 0.000 0.494 70 I N -1.883 118.535 120.570 -0.254 0.000 3.646 70 I HA 0.269 4.440 4.170 0.001 0.000 0.301 70 I C 0.478 176.513 176.117 -0.137 0.000 1.276 70 I CA -0.521 60.616 61.300 -0.272 0.000 1.254 70 I CB -0.176 37.508 38.000 -0.525 0.000 1.020 70 I HN -0.200 nan 8.210 nan 0.000 0.473 71 A N 1.965 124.753 122.820 -0.054 0.000 2.537 71 A HA 0.389 4.709 4.320 0.001 0.000 0.260 71 A C 1.584 179.224 177.584 0.093 0.000 1.082 71 A CA 0.677 52.719 52.037 0.009 0.000 0.765 71 A CB -0.919 17.995 19.000 -0.143 0.000 1.019 71 A HN 1.124 nan 8.150 nan 0.000 0.507 72 G N 2.113 111.010 108.800 0.162 0.000 2.176 72 G HA2 -0.225 3.735 3.960 0.001 0.000 0.253 72 G HA3 -0.225 3.735 3.960 0.001 0.000 0.253 72 G C 0.487 175.549 174.900 0.269 0.000 0.979 72 G CA 0.673 45.919 45.100 0.244 0.000 0.641 72 G HN 0.758 nan 8.290 nan 0.000 0.530 73 K N 0.090 120.558 120.400 0.114 0.000 2.488 73 K HA 0.755 5.075 4.320 0.001 0.000 0.255 73 K C 0.210 176.717 176.600 -0.155 0.000 1.036 73 K CA 0.167 56.453 56.287 -0.001 0.000 0.990 73 K CB 0.918 33.367 32.500 -0.085 0.000 1.304 73 K HN 0.830 nan 8.250 nan 0.000 0.505 74 A N 1.365 124.086 122.820 -0.166 0.000 2.340 74 A HA 0.417 4.738 4.320 0.001 0.000 0.297 74 A C -1.247 176.246 177.584 -0.152 0.000 1.195 74 A CA -0.640 51.255 52.037 -0.236 0.000 0.769 74 A CB 0.520 19.420 19.000 -0.166 0.000 1.163 74 A HN 0.447 nan 8.150 nan 0.000 0.472 75 L N 2.129 123.268 121.223 -0.141 0.000 2.295 75 L HA 0.872 5.212 4.340 0.001 0.000 0.285 75 L C -0.223 176.620 176.870 -0.044 0.000 1.035 75 L CA -0.303 54.465 54.840 -0.119 0.000 0.806 75 L CB 1.338 43.271 42.059 -0.209 0.000 1.214 75 L HN 0.636 nan 8.230 nan 0.000 0.426 76 R N 2.257 122.737 120.500 -0.034 0.000 2.451 76 R HA 0.588 4.929 4.340 0.001 0.000 0.307 76 R C -0.650 175.652 176.300 0.004 0.000 0.965 76 R CA -0.096 56.008 56.100 0.007 0.000 0.865 76 R CB 1.297 31.609 30.300 0.020 0.000 1.174 76 R HN 0.890 nan 8.270 nan 0.000 0.455 77 T N 0.474 115.043 114.554 0.025 0.000 2.912 77 T HA 0.212 4.562 4.350 0.001 0.000 0.280 77 T C 1.347 176.061 174.700 0.023 0.000 0.989 77 T CA -0.724 61.388 62.100 0.020 0.000 0.995 77 T CB 0.895 69.785 68.868 0.037 0.000 1.077 77 T HN 0.474 nan 8.240 nan 0.000 0.531 78 I N 1.321 121.896 120.570 0.009 0.000 2.151 78 I HA -0.208 3.963 4.170 0.001 0.000 0.243 78 I C 2.345 178.476 176.117 0.023 0.000 1.080 78 I CA 1.934 63.239 61.300 0.009 0.000 1.339 78 I CB -0.661 37.334 38.000 -0.009 0.000 1.039 78 I HN 0.849 nan 8.210 nan 0.000 0.409 79 E N 0.051 120.264 120.200 0.021 0.000 2.463 79 E HA -0.099 4.251 4.350 0.001 0.000 0.201 79 E C 1.564 178.187 176.600 0.038 0.000 1.045 79 E CA 1.014 57.428 56.400 0.023 0.000 0.872 79 E CB -0.701 29.009 29.700 0.018 0.000 0.797 79 E HN 0.657 nan 8.360 nan 0.000 0.538 80 G N 0.660 109.495 108.800 0.058 0.000 3.735 80 G HA2 0.210 4.170 3.960 0.001 0.000 0.283 80 G HA3 0.210 4.170 3.960 0.001 0.000 0.283 80 G C 1.096 176.086 174.900 0.150 0.000 1.007 80 G CA -0.364 44.789 45.100 0.087 0.000 0.821 80 G HN 0.016 nan 8.290 nan 0.000 0.505 81 I N 1.726 122.382 120.570 0.143 0.000 2.235 81 I HA 0.107 4.277 4.170 0.001 0.000 0.241 81 I C 2.096 178.480 176.117 0.445 0.000 1.085 81 I CA 0.405 61.839 61.300 0.222 0.000 1.378 81 I CB -1.295 36.762 38.000 0.094 0.000 1.076 81 I HN 0.167 nan 8.210 nan 0.000 0.415 82 A N 1.279 124.249 122.820 0.250 0.000 2.492 82 A HA 0.420 4.741 4.320 0.001 0.000 0.236 82 A C 0.694 178.115 177.584 -0.270 0.000 1.078 82 A CA 0.277 52.388 52.037 0.123 0.000 0.773 82 A CB -0.149 18.850 19.000 -0.002 0.000 1.023 82 A HN 0.383 nan 8.150 nan 0.000 0.504 83 A N 2.075 124.299 122.820 -0.995 0.000 2.445 83 A HA 0.473 4.794 4.320 0.001 0.000 0.242 83 A C -1.264 175.924 177.584 -0.659 0.000 1.075 83 A CA -0.715 50.353 52.037 -1.614 0.000 0.777 83 A CB -0.447 17.496 19.000 -1.762 0.000 1.013 83 A HN 0.604 nan 8.150 nan 0.000 0.493 84 P HA -0.163 nan 4.420 nan 0.000 0.218 84 P C 0.753 177.943 177.300 -0.183 0.000 1.148 84 P CA 1.564 64.533 63.100 -0.218 0.000 0.822 84 P CB 0.023 31.646 31.700 -0.127 0.000 0.784 85 D N -1.809 118.459 120.400 -0.219 0.000 2.264 85 D HA -0.060 4.580 4.640 0.001 0.000 0.208 85 D C 1.522 177.732 176.300 -0.149 0.000 0.966 85 D CA 1.521 55.428 54.000 -0.156 0.000 0.864 85 D CB -0.483 40.231 40.800 -0.144 0.000 0.933 85 D HN 0.297 nan 8.370 nan 0.000 0.499 86 G N 0.865 109.545 108.800 -0.200 0.000 2.260 86 G HA2 -0.220 3.740 3.960 0.001 0.000 0.179 86 G HA3 -0.220 3.740 3.960 0.001 0.000 0.179 86 G C 0.275 175.082 174.900 -0.155 0.000 1.002 86 G CA -0.138 44.872 45.100 -0.150 0.000 0.677 86 G HN 0.433 nan 8.290 nan 0.000 0.486 87 R N 1.106 121.477 120.500 -0.214 0.000 2.537 87 R HA 0.507 4.848 4.340 0.001 0.000 0.280 87 R C 0.507 176.716 176.300 -0.153 0.000 1.058 87 R CA -0.318 55.680 56.100 -0.169 0.000 1.057 87 R CB 0.111 30.303 30.300 -0.180 0.000 0.973 87 R HN 0.253 nan 8.270 nan 0.000 0.438 88 L N 3.876 125.085 121.223 -0.023 0.000 2.417 88 L HA 0.148 4.488 4.340 0.001 0.000 0.268 88 L C 1.037 178.037 176.870 0.217 0.000 1.158 88 L CA -0.466 54.420 54.840 0.077 0.000 0.819 88 L CB 0.621 42.717 42.059 0.062 0.000 1.112 88 L HN 0.592 nan 8.230 nan 0.000 0.458 89 H N 4.310 123.529 119.070 0.249 0.000 2.972 89 H HA -0.000 4.556 4.556 0.001 0.000 0.343 89 H C -1.779 173.584 175.328 0.058 0.000 1.054 89 H CA -1.044 55.160 56.048 0.259 0.000 1.412 89 H CB 1.493 31.360 29.762 0.174 0.000 1.385 89 H HN 0.338 nan 8.280 nan 0.000 0.600 90 P HA -0.199 nan 4.420 nan 0.000 0.218 90 P C 1.681 178.998 177.300 0.028 0.000 1.146 90 P CA 0.839 63.883 63.100 -0.093 0.000 0.820 90 P CB 0.283 31.820 31.700 -0.271 0.000 0.778 91 V N -0.814 119.231 119.914 0.219 0.000 2.358 91 V HA -0.268 3.852 4.120 0.001 0.000 0.246 91 V C 2.504 178.645 176.094 0.079 0.000 1.047 91 V CA 1.847 64.214 62.300 0.111 0.000 1.035 91 V CB -1.044 30.773 31.823 -0.010 0.000 0.658 91 V HN 0.159 nan 8.190 nan 0.000 0.452 92 Q N -1.091 118.775 119.800 0.111 0.000 2.050 92 Q HA -0.230 4.110 4.340 0.001 0.000 0.202 92 Q C 2.490 178.516 176.000 0.043 0.000 0.980 92 Q CA 1.541 57.386 55.803 0.070 0.000 0.840 92 Q CB -0.186 28.606 28.738 0.091 0.000 0.898 92 Q HN 0.517 nan 8.270 nan 0.000 0.424 93 Q N 0.005 119.833 119.800 0.047 0.000 1.993 93 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 93 Q C 2.164 178.165 176.000 0.001 0.000 0.984 93 Q CA 1.686 57.497 55.803 0.014 0.000 0.837 93 Q CB -0.573 28.174 28.738 0.016 0.000 0.902 93 Q HN 0.410 nan 8.270 nan 0.000 0.423 94 A N 0.673 123.517 122.820 0.040 0.000 1.948 94 A HA -0.198 4.123 4.320 0.001 0.000 0.220 94 A C 2.064 179.707 177.584 0.100 0.000 1.177 94 A CA 1.737 53.838 52.037 0.105 0.000 0.636 94 A CB -0.438 18.634 19.000 0.119 0.000 0.815 94 A HN 0.300 nan 8.150 nan 0.000 0.449 95 M N -0.949 118.675 119.600 0.040 0.000 2.319 95 M HA 0.037 4.518 4.480 0.001 0.000 0.265 95 M C 2.040 178.323 176.300 -0.028 0.000 1.068 95 M CA 1.013 56.322 55.300 0.014 0.000 1.118 95 M CB -0.852 31.753 32.600 0.009 0.000 1.395 95 M HN 0.448 nan 8.290 nan 0.000 0.435 96 I N 0.219 120.759 120.570 -0.049 0.000 2.233 96 I HA -0.277 3.893 4.170 0.001 0.000 0.243 96 I C 1.903 177.885 176.117 -0.225 0.000 1.093 96 I CA 1.022 62.269 61.300 -0.087 0.000 1.380 96 I CB -0.487 37.477 38.000 -0.060 0.000 1.067 96 I HN 0.213 nan 8.210 nan 0.000 0.413 97 D N 0.111 120.354 120.400 -0.262 0.000 2.097 97 D HA -0.175 4.466 4.640 0.001 0.000 0.195 97 D C 1.676 177.557 176.300 -0.699 0.000 0.989 97 D CA 1.451 55.169 54.000 -0.471 0.000 0.827 97 D CB -0.498 40.009 40.800 -0.488 0.000 0.966 97 D HN 0.431 nan 8.370 nan 0.000 0.456 98 H N 0.507 119.416 119.070 -0.268 0.000 2.567 98 H HA 0.050 4.607 4.556 0.001 0.000 0.294 98 H C -0.051 175.206 175.328 -0.119 0.000 1.050 98 H CA 0.005 55.939 56.048 -0.191 0.000 1.168 98 H CB -0.364 29.346 29.762 -0.087 0.000 1.422 98 H HN 0.310 nan 8.280 nan 0.000 0.562 99 H N -0.267 118.813 119.070 0.017 0.000 2.604 99 H HA -0.127 4.429 4.556 0.000 0.000 0.321 99 H C 1.445 176.758 175.328 -0.025 0.000 1.132 99 H CA 0.721 56.762 56.048 -0.010 0.000 1.129 99 H CB -1.776 27.977 29.762 -0.015 0.000 1.526 99 H HN 0.594 nan 8.280 nan 0.000 0.415 100 G N -0.091 108.727 108.800 0.030 0.000 3.061 100 G HA2 0.134 4.095 3.960 0.001 0.000 0.208 100 G HA3 0.134 4.095 3.960 0.001 0.000 0.208 100 G C 0.406 175.256 174.900 -0.083 0.000 1.175 100 G CA 0.380 45.451 45.100 -0.049 0.000 0.812 100 G HN 0.313 nan 8.290 nan 0.000 0.523 101 S N -1.033 114.655 115.700 -0.021 0.000 2.500 101 S HA 0.518 4.989 4.470 0.001 0.000 0.301 101 S C 0.216 174.808 174.600 -0.013 0.000 1.092 101 S CA -0.611 57.575 58.200 -0.023 0.000 1.030 101 S CB 2.443 65.645 63.200 0.004 0.000 1.031 101 S HN 0.377 nan 8.310 nan 0.000 0.483 102 Q N 0.521 120.305 119.800 -0.027 0.000 2.380 102 Q HA 0.078 4.419 4.340 0.001 0.000 0.181 102 Q C 2.026 178.025 176.000 -0.002 0.000 0.657 102 Q CA 0.447 56.237 55.803 -0.022 0.000 0.819 102 Q CB -0.235 28.477 28.738 -0.044 0.000 1.184 102 Q HN 0.889 nan 8.270 nan 0.000 0.535 103 C N -0.396 118.909 119.300 0.008 0.000 2.495 103 C HA 0.456 4.916 4.460 0.001 0.000 0.275 103 C C 1.703 176.744 174.990 0.085 0.000 1.392 103 C CA 0.683 59.725 59.018 0.040 0.000 1.766 103 C CB -0.640 27.123 27.740 0.039 0.000 1.933 103 C HN 0.845 nan 8.230 nan 0.000 0.519 104 G N -0.458 108.386 108.800 0.074 0.000 2.199 104 G HA2 -0.350 3.610 3.960 0.001 0.000 0.254 104 G HA3 -0.350 3.610 3.960 0.001 0.000 0.254 104 G C 0.436 175.403 174.900 0.112 0.000 0.982 104 G CA 0.539 45.682 45.100 0.072 0.000 0.632 104 G HN 0.531 nan 8.290 nan 0.000 0.529 105 F N 1.510 121.468 119.950 0.014 0.000 2.060 105 F HA -0.055 4.470 4.527 -0.004 0.000 0.295 105 F C 3.069 178.909 175.800 0.066 0.000 1.120 105 F CA 2.744 60.765 58.000 0.034 0.000 1.205 105 F CB -0.635 38.383 39.000 0.030 0.000 0.986 105 F HN 0.619 nan 8.300 nan 0.000 0.470 106 C N -0.877 118.569 119.300 0.243 0.000 2.449 106 C HA -0.041 4.419 4.460 0.001 0.000 0.283 106 C C 2.484 177.624 174.990 0.250 0.000 1.453 106 C CA 0.908 60.080 59.018 0.257 0.000 1.779 106 C CB -1.881 26.073 27.740 0.355 0.000 1.779 106 C HN 0.486 nan 8.230 nan 0.000 0.546 107 T N 2.852 117.470 114.554 0.108 0.000 2.665 107 T HA -0.106 4.245 4.350 0.001 0.000 0.268 107 T C -0.227 174.533 174.700 0.100 0.000 1.035 107 T CA 2.630 64.777 62.100 0.079 0.000 1.151 107 T CB -1.430 67.446 68.868 0.013 0.000 0.862 107 T HN 0.456 nan 8.240 nan 0.000 0.438 108 P HA -0.078 nan 4.420 nan 0.000 0.216 108 P C 1.784 179.105 177.300 0.035 0.000 1.153 108 P CA 1.361 64.462 63.100 0.001 0.000 0.858 108 P CB -0.567 31.090 31.700 -0.072 0.000 0.789 109 G N -1.222 107.614 108.800 0.059 0.000 2.459 109 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 109 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 109 G C 1.305 176.223 174.900 0.030 0.000 1.183 109 G CA 0.545 45.665 45.100 0.034 0.000 0.776 109 G HN 0.143 nan 8.290 nan 0.000 0.552 110 F N 0.749 120.706 119.950 0.011 0.000 2.095 110 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 110 F C 2.709 178.504 175.800 -0.009 0.000 1.104 110 F CA 0.680 58.692 58.000 0.020 0.000 1.232 110 F CB -0.271 38.752 39.000 0.038 0.000 0.987 110 F HN -0.004 nan 8.300 nan 0.000 0.475 111 I N -0.149 120.523 120.570 0.169 0.000 2.091 111 I HA -0.287 3.884 4.170 0.001 0.000 0.239 111 I C 2.487 178.588 176.117 -0.027 0.000 1.061 111 I CA 1.410 62.737 61.300 0.046 0.000 1.317 111 I CB -1.448 36.568 38.000 0.026 0.000 1.031 111 I HN -0.031 nan 8.210 nan 0.000 0.401 112 V N -0.090 119.813 119.914 -0.019 0.000 2.287 112 V HA -0.277 3.844 4.120 0.001 0.000 0.248 112 V C 2.694 178.758 176.094 -0.050 0.000 1.053 112 V CA 2.112 64.385 62.300 -0.045 0.000 1.027 112 V CB -0.817 30.986 31.823 -0.033 0.000 0.646 112 V HN 0.373 nan 8.190 nan 0.000 0.447 113 S N -0.953 114.721 115.700 -0.043 0.000 2.368 113 S HA -0.148 4.322 4.470 0.001 0.000 0.224 113 S C 1.970 176.568 174.600 -0.003 0.000 1.029 113 S CA 1.784 59.952 58.200 -0.053 0.000 0.988 113 S CB -0.260 62.859 63.200 -0.136 0.000 0.838 113 S HN 0.495 nan 8.310 nan 0.000 0.462 114 M N 0.570 120.187 119.600 0.029 0.000 2.132 114 M HA -0.031 4.450 4.480 0.001 0.000 0.263 114 M C 2.397 178.721 176.300 0.040 0.000 1.065 114 M CA 1.293 56.639 55.300 0.076 0.000 1.122 114 M CB -0.449 32.199 32.600 0.080 0.000 1.365 114 M HN 0.400 nan 8.290 nan 0.000 0.411 115 A N 0.567 123.323 122.820 -0.108 0.000 1.908 115 A HA -0.104 4.216 4.320 0.001 0.000 0.218 115 A C 2.352 179.922 177.584 -0.024 0.000 1.181 115 A CA 2.048 53.931 52.037 -0.256 0.000 0.627 115 A CB -0.937 17.795 19.000 -0.446 0.000 0.818 115 A HN 0.501 nan 8.150 nan 0.000 0.445 116 A N -0.404 122.406 122.820 -0.017 0.000 1.969 116 A HA 0.238 4.559 4.320 0.001 0.000 0.218 116 A C 2.464 180.070 177.584 0.036 0.000 1.169 116 A CA 1.852 53.891 52.037 0.004 0.000 0.635 116 A CB -0.876 18.112 19.000 -0.019 0.000 0.810 116 A HN 0.990 nan 8.150 nan 0.000 0.445 117 A N -1.157 121.704 122.820 0.068 0.000 1.877 117 A HA -0.214 4.107 4.320 0.001 0.000 0.216 117 A C 2.142 179.800 177.584 0.124 0.000 1.186 117 A CA 1.662 53.754 52.037 0.092 0.000 0.620 117 A CB -1.047 18.049 19.000 0.159 0.000 0.822 117 A HN 0.710 nan 8.150 nan 0.000 0.443 118 H N -0.297 118.828 119.070 0.092 0.000 2.353 118 H HA -0.178 4.378 4.556 0.002 0.000 0.298 118 H C 1.938 177.305 175.328 0.065 0.000 1.103 118 H CA 2.078 58.196 56.048 0.118 0.000 1.293 118 H CB -0.151 29.744 29.762 0.222 0.000 1.372 118 H HN 0.601 nan 8.280 nan 0.000 0.501 119 D N 0.568 121.042 120.400 0.123 0.000 2.084 119 D HA -0.148 4.493 4.640 0.001 0.000 0.196 119 D C 2.067 178.347 176.300 -0.033 0.000 0.985 119 D CA 0.667 54.684 54.000 0.029 0.000 0.826 119 D CB -0.148 40.671 40.800 0.031 0.000 0.978 119 D HN 0.264 nan 8.370 nan 0.000 0.456 120 R N 0.435 120.923 120.500 -0.021 0.000 2.328 120 R HA -0.081 4.260 4.340 0.001 0.000 0.200 120 R C -0.236 176.033 176.300 -0.052 0.000 0.983 120 R CA 0.281 56.359 56.100 -0.036 0.000 1.062 120 R CB -0.154 30.129 30.300 -0.029 0.000 0.956 120 R HN 0.061 nan 8.270 nan 0.000 0.479 121 D N 0.411 120.769 120.400 -0.071 0.000 2.735 121 D HA -0.209 4.431 4.640 0.001 0.000 0.235 121 D C -1.008 175.250 176.300 -0.069 0.000 1.175 121 D CA 0.889 54.835 54.000 -0.091 0.000 0.683 121 D CB -0.505 40.235 40.800 -0.099 0.000 1.008 121 D HN 0.213 nan 8.370 nan 0.000 0.416 122 R N 0.424 120.892 120.500 -0.053 0.000 2.668 122 R HA 0.581 4.922 4.340 0.001 0.000 0.279 122 R C 1.153 177.345 176.300 -0.181 0.000 0.976 122 R CA -0.545 55.498 56.100 -0.095 0.000 0.978 122 R CB 1.029 31.286 30.300 -0.071 0.000 1.133 122 R HN 0.048 nan 8.270 nan 0.000 0.484 123 K N 0.605 120.791 120.400 -0.356 0.000 2.521 123 K HA 0.055 4.376 4.320 0.001 0.000 0.213 123 K C -0.621 175.346 176.600 -1.056 0.000 1.223 123 K CA 0.072 55.882 56.287 -0.796 0.000 1.013 123 K CB 0.884 33.151 32.500 -0.389 0.000 1.017 123 K HN 0.650 nan 8.250 nan 0.000 0.591 124 D N 1.243 121.322 120.400 -0.535 0.000 2.885 124 D HA -0.053 4.587 4.640 0.001 0.000 0.234 124 D C 0.510 176.673 176.300 -0.229 0.000 1.129 124 D CA -0.181 53.623 54.000 -0.327 0.000 0.991 124 D CB -0.556 40.144 40.800 -0.167 0.000 1.137 124 D HN 0.202 nan 8.370 nan 0.000 0.459 125 Y N 0.584 120.891 120.300 0.012 0.000 2.241 125 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 125 Y C 2.076 177.982 175.900 0.010 0.000 1.166 125 Y CA 0.993 59.107 58.100 0.024 0.000 1.203 125 Y CB -0.279 38.212 38.460 0.051 0.000 0.977 125 Y HN 0.166 nan 8.280 nan 0.000 0.529 126 D N 0.492 120.964 120.400 0.120 0.000 2.103 126 D HA -0.192 4.449 4.640 0.001 0.000 0.190 126 D C 1.447 177.754 176.300 0.011 0.000 0.997 126 D CA 1.929 55.958 54.000 0.049 0.000 0.833 126 D CB -0.248 40.565 40.800 0.021 0.000 0.961 126 D HN 0.476 nan 8.370 nan 0.000 0.447 127 D N 0.050 120.447 120.400 -0.006 0.000 2.194 127 D HA -0.057 4.583 4.640 0.001 0.000 0.204 127 D C 2.272 178.564 176.300 -0.014 0.000 0.964 127 D CA 0.122 54.114 54.000 -0.014 0.000 0.846 127 D CB -0.118 40.667 40.800 -0.025 0.000 0.962 127 D HN 0.090 nan 8.370 nan 0.000 0.490 128 L N 0.337 121.556 121.223 -0.007 0.000 2.056 128 L HA -0.046 4.295 4.340 0.001 0.000 0.207 128 L C 2.055 178.916 176.870 -0.015 0.000 1.078 128 L CA 1.296 56.135 54.840 -0.002 0.000 0.749 128 L CB -0.315 41.759 42.059 0.026 0.000 0.901 128 L HN -0.001 nan 8.230 nan 0.000 0.433 129 L N -1.533 119.692 121.223 0.003 0.000 2.700 129 L HA 0.227 4.568 4.340 0.001 0.000 0.234 129 L C 2.063 178.856 176.870 -0.128 0.000 1.156 129 L CA 0.191 54.975 54.840 -0.094 0.000 0.946 129 L CB -0.447 41.634 42.059 0.037 0.000 1.216 129 L HN 0.105 nan 8.230 nan 0.000 0.493 130 A N 0.553 123.327 122.820 -0.076 0.000 2.121 130 A HA -0.015 4.306 4.320 0.001 0.000 0.218 130 A C 2.251 179.795 177.584 -0.067 0.000 1.154 130 A CA 1.488 53.483 52.037 -0.070 0.000 0.679 130 A CB -0.570 18.409 19.000 -0.035 0.000 0.795 130 A HN 0.437 nan 8.150 nan 0.000 0.458 131 G N 1.092 109.836 108.800 -0.093 0.000 2.496 131 G HA2 -0.099 3.861 3.960 0.001 0.000 0.214 131 G HA3 -0.099 3.861 3.960 0.001 0.000 0.214 131 G C 0.546 175.393 174.900 -0.088 0.000 1.234 131 G CA 0.414 45.466 45.100 -0.080 0.000 0.807 131 G HN 0.734 nan 8.290 nan 0.000 0.543 132 N N 1.299 119.872 118.700 -0.212 0.000 2.431 132 N HA 0.398 5.138 4.740 0.001 0.000 0.265 132 N C -0.527 174.989 175.510 0.010 0.000 1.184 132 N CA -0.296 52.632 53.050 -0.203 0.000 0.943 132 N CB 1.001 39.208 38.487 -0.466 0.000 1.080 132 N HN 0.329 nan 8.380 nan 0.000 0.477 133 L N -0.573 120.796 121.223 0.244 0.000 2.334 133 L HA 0.772 5.113 4.340 0.001 0.000 0.272 133 L C -0.306 176.857 176.870 0.488 0.000 1.020 133 L CA -1.185 53.924 54.840 0.448 0.000 0.812 133 L CB 1.103 43.338 42.059 0.292 0.000 1.264 133 L HN 0.632 nan 8.230 nan 0.000 0.439 134 C N 1.581 121.146 119.300 0.443 0.000 2.498 134 C HA 0.623 5.084 4.460 0.001 0.000 0.316 134 C C 1.439 176.389 174.990 -0.066 0.000 1.209 134 C CA -0.469 58.600 59.018 0.085 0.000 1.518 134 C CB 1.722 29.354 27.740 -0.179 0.000 2.147 134 C HN 0.999 nan 8.230 nan 0.000 0.483 135 R N 2.208 122.692 120.500 -0.028 0.000 2.119 135 R HA 0.099 4.439 4.340 0.001 0.000 0.222 135 R C 1.799 178.037 176.300 -0.103 0.000 1.088 135 R CA 1.904 57.979 56.100 -0.041 0.000 0.984 135 R CB -0.805 29.488 30.300 -0.012 0.000 0.884 135 R HN 0.901 nan 8.270 nan 0.000 0.447 136 C N -1.355 117.866 119.300 -0.131 0.000 2.544 136 C HA 0.064 4.524 4.460 0.001 0.000 0.280 136 C C 2.475 177.374 174.990 -0.152 0.000 1.295 136 C CA 1.367 60.313 59.018 -0.119 0.000 1.702 136 C CB -0.503 27.181 27.740 -0.094 0.000 2.090 136 C HN 0.705 nan 8.230 nan 0.000 0.493 137 T N -3.084 111.330 114.554 -0.234 0.000 3.014 137 T HA 0.345 4.696 4.350 0.001 0.000 0.250 137 T C 1.419 175.999 174.700 -0.200 0.000 1.060 137 T CA 1.385 63.366 62.100 -0.197 0.000 1.040 137 T CB 0.153 68.906 68.868 -0.191 0.000 0.971 137 T HN 0.983 nan 8.240 nan 0.000 0.497 138 G N 0.692 109.293 108.800 -0.331 0.000 2.143 138 G HA2 -0.318 3.642 3.960 0.001 0.000 0.249 138 G HA3 -0.318 3.642 3.960 0.001 0.000 0.249 138 G C 0.569 175.459 174.900 -0.017 0.000 0.981 138 G CA 0.337 45.330 45.100 -0.178 0.000 0.665 138 G HN 0.672 nan 8.290 nan 0.000 0.528 139 Y N -2.979 117.315 120.300 -0.010 0.000 3.681 139 Y HA -0.397 4.154 4.550 0.001 0.000 0.406 139 Y C 2.757 178.654 175.900 -0.006 0.000 1.163 139 Y CA 2.469 60.567 58.100 -0.004 0.000 2.338 139 Y CB -1.863 36.638 38.460 0.069 0.000 0.885 139 Y HN 1.239 nan 8.280 nan 0.000 0.491 140 A N 0.189 123.089 122.820 0.132 0.000 1.903 140 A HA -0.202 4.119 4.320 0.001 0.000 0.219 140 A C -0.180 177.423 177.584 0.031 0.000 1.191 140 A CA 2.464 54.547 52.037 0.075 0.000 0.638 140 A CB -1.704 17.331 19.000 0.059 0.000 0.823 140 A HN 0.479 nan 8.150 nan 0.000 0.451 141 P HA -0.095 nan 4.420 nan 0.000 0.216 141 P C 1.220 178.512 177.300 -0.014 0.000 1.153 141 P CA 0.910 64.022 63.100 0.020 0.000 0.848 141 P CB -0.120 31.595 31.700 0.025 0.000 0.787 142 I N -1.114 119.433 120.570 -0.038 0.000 2.226 142 I HA -0.194 3.976 4.170 0.001 0.000 0.245 142 I C 2.386 178.470 176.117 -0.055 0.000 1.100 142 I CA 1.210 62.478 61.300 -0.053 0.000 1.374 142 I CB -0.770 37.176 38.000 -0.091 0.000 1.057 142 I HN -0.063 nan 8.210 nan 0.000 0.413 143 L N 0.683 121.892 121.223 -0.023 0.000 2.056 143 L HA -0.192 4.149 4.340 0.001 0.000 0.207 143 L C 2.718 179.492 176.870 -0.161 0.000 1.078 143 L CA 1.806 56.603 54.840 -0.072 0.000 0.749 143 L CB -0.519 41.557 42.059 0.028 0.000 0.901 143 L HN 0.269 nan 8.230 nan 0.000 0.433 144 R N -0.262 120.144 120.500 -0.157 0.000 2.073 144 R HA -0.157 4.184 4.340 0.001 0.000 0.234 144 R C 2.339 178.371 176.300 -0.446 0.000 1.134 144 R CA 1.488 57.410 56.100 -0.297 0.000 0.952 144 R CB -0.578 29.525 30.300 -0.328 0.000 0.850 144 R HN 0.430 nan 8.270 nan 0.000 0.433 145 A N 1.591 124.216 122.820 -0.324 0.000 1.873 145 A HA -0.195 4.126 4.320 0.001 0.000 0.218 145 A C 2.446 179.936 177.584 -0.157 0.000 1.193 145 A CA 1.978 53.919 52.037 -0.161 0.000 0.629 145 A CB -0.943 18.051 19.000 -0.010 0.000 0.826 145 A HN 0.429 nan 8.150 nan 0.000 0.447 146 A N -0.573 122.098 122.820 -0.248 0.000 1.972 146 A HA -0.174 4.147 4.320 0.001 0.000 0.219 146 A C 1.895 179.256 177.584 -0.371 0.000 1.169 146 A CA 1.797 53.598 52.037 -0.393 0.000 0.635 146 A CB -0.495 18.013 19.000 -0.819 0.000 0.810 146 A HN 0.674 nan 8.150 nan 0.000 0.446 147 E N -0.502 119.512 120.200 -0.310 0.000 2.158 147 E HA 0.039 4.390 4.350 0.001 0.000 0.191 147 E C 2.219 178.804 176.600 -0.025 0.000 0.982 147 E CA 0.760 57.104 56.400 -0.092 0.000 0.823 147 E CB -0.194 29.471 29.700 -0.060 0.000 0.766 147 E HN 0.620 nan 8.360 nan 0.000 0.468 148 A N 1.149 123.925 122.820 -0.074 0.000 1.930 148 A HA 0.059 4.380 4.320 0.001 0.000 0.215 148 A C 2.292 179.916 177.584 0.065 0.000 1.176 148 A CA 1.255 53.297 52.037 0.009 0.000 0.632 148 A CB -0.333 18.693 19.000 0.044 0.000 0.819 148 A HN 0.261 nan 8.150 nan 0.000 0.445 149 A N -0.313 122.543 122.820 0.060 0.000 2.119 149 A HA 0.344 4.664 4.320 0.001 0.000 0.217 149 A C 2.310 180.038 177.584 0.241 0.000 1.153 149 A CA 1.424 53.520 52.037 0.098 0.000 0.692 149 A CB -0.666 18.364 19.000 0.050 0.000 0.799 149 A HN 0.862 nan 8.150 nan 0.000 0.458 150 A N -0.107 122.843 122.820 0.217 0.000 1.902 150 A HA 0.097 4.417 4.320 0.001 0.000 0.217 150 A C 2.366 180.044 177.584 0.157 0.000 1.181 150 A CA 1.806 53.987 52.037 0.240 0.000 0.623 150 A CB -1.329 17.802 19.000 0.220 0.000 0.818 150 A HN 0.712 nan 8.150 nan 0.000 0.443 151 G N -0.357 108.516 108.800 0.122 0.000 2.448 151 G HA2 -0.058 3.902 3.960 0.001 0.000 0.219 151 G HA3 -0.058 3.902 3.960 0.001 0.000 0.219 151 G C 0.569 175.519 174.900 0.084 0.000 1.127 151 G CA 0.429 45.578 45.100 0.081 0.000 0.766 151 G HN 0.470 nan 8.290 nan 0.000 0.552 152 E N 1.428 121.710 120.200 0.137 0.000 2.354 152 E HA 0.212 4.563 4.350 0.001 0.000 0.269 152 E C -2.034 174.649 176.600 0.139 0.000 1.036 152 E CA -2.328 54.148 56.400 0.126 0.000 0.876 152 E CB 0.830 30.595 29.700 0.107 0.000 1.009 152 E HN 0.138 nan 8.360 nan 0.000 0.416 153 P HA 0.061 nan 4.420 nan 0.000 0.267 153 P C -2.451 174.874 177.300 0.041 0.000 1.201 153 P CA -0.901 62.207 63.100 0.012 0.000 0.775 153 P CB -0.567 31.136 31.700 0.005 0.000 0.854 154 P HA 0.072 nan 4.420 nan 0.000 0.269 154 P C -0.376 176.813 177.300 -0.186 0.000 1.215 154 P CA 0.048 63.112 63.100 -0.060 0.000 0.780 154 P CB 0.168 31.796 31.700 -0.121 0.000 0.898 155 A N 2.612 125.209 122.820 -0.371 0.000 2.473 155 A HA 0.039 4.360 4.320 0.001 0.000 0.282 155 A C 1.313 178.443 177.584 -0.757 0.000 1.163 155 A CA -0.139 51.303 52.037 -0.992 0.000 0.827 155 A CB -0.565 17.620 19.000 -1.359 0.000 1.098 155 A HN 0.659 nan 8.150 nan 0.000 0.515 156 D N 2.381 122.506 120.400 -0.460 0.000 2.264 156 D HA -0.217 4.424 4.640 0.001 0.000 0.208 156 D C 1.328 177.616 176.300 -0.020 0.000 0.966 156 D CA 1.470 55.390 54.000 -0.132 0.000 0.864 156 D CB -0.358 40.458 40.800 0.026 0.000 0.933 156 D HN 0.885 nan 8.370 nan 0.000 0.499 157 W N 1.347 122.671 121.300 0.040 0.000 2.443 157 W HA 0.177 4.838 4.660 0.001 0.000 0.296 157 W C 2.059 178.610 176.519 0.053 0.000 1.202 157 W CA -0.039 57.332 57.345 0.043 0.000 1.312 157 W CB -0.867 28.617 29.460 0.040 0.000 1.120 157 W HN -0.193 nan 8.180 nan 0.000 0.536 158 L N 0.943 121.938 121.223 -0.379 0.000 2.083 158 L HA -0.216 4.125 4.340 0.001 0.000 0.209 158 L C 2.854 179.679 176.870 -0.075 0.000 1.083 158 L CA 1.787 56.528 54.840 -0.164 0.000 0.752 158 L CB -0.997 40.913 42.059 -0.249 0.000 0.899 158 L HN 0.113 nan 8.230 nan 0.000 0.433 159 Q N 0.102 119.836 119.800 -0.109 0.000 2.234 159 Q HA -0.177 4.164 4.340 0.001 0.000 0.206 159 Q C 2.182 178.187 176.000 0.008 0.000 0.980 159 Q CA 1.679 57.453 55.803 -0.047 0.000 0.869 159 Q CB -0.159 28.545 28.738 -0.058 0.000 0.912 159 Q HN 0.492 nan 8.270 nan 0.000 0.436 160 A N 0.142 122.987 122.820 0.041 0.000 2.067 160 A HA -0.161 4.159 4.320 0.001 0.000 0.219 160 A C 1.320 178.955 177.584 0.085 0.000 1.158 160 A CA 1.535 53.617 52.037 0.075 0.000 0.661 160 A CB -0.359 18.707 19.000 0.111 0.000 0.801 160 A HN 0.362 nan 8.150 nan 0.000 0.452 161 D N 0.286 120.730 120.400 0.073 0.000 2.264 161 D HA 0.021 4.661 4.640 0.001 0.000 0.208 161 D C 2.050 178.411 176.300 0.101 0.000 0.966 161 D CA 1.079 55.125 54.000 0.077 0.000 0.864 161 D CB -0.293 40.524 40.800 0.029 0.000 0.933 161 D HN 0.448 nan 8.370 nan 0.000 0.499 162 A N 1.061 123.924 122.820 0.073 0.000 1.940 162 A HA -0.100 4.221 4.320 0.001 0.000 0.219 162 A C 2.183 179.825 177.584 0.096 0.000 1.176 162 A CA 1.800 53.878 52.037 0.069 0.000 0.631 162 A CB -0.648 18.374 19.000 0.036 0.000 0.814 162 A HN 0.237 nan 8.150 nan 0.000 0.446 163 A N -1.713 121.167 122.820 0.099 0.000 2.255 163 A HA 0.289 4.609 4.320 0.001 0.000 0.206 163 A C 0.572 178.218 177.584 0.103 0.000 1.193 163 A CA -0.217 51.869 52.037 0.081 0.000 0.794 163 A CB -0.741 18.295 19.000 0.061 0.000 0.794 163 A HN 0.477 nan 8.150 nan 0.000 0.481 164 F N 0.128 120.084 119.950 0.009 0.000 2.495 164 F HA 0.326 4.854 4.527 0.002 0.000 0.365 164 F C 1.554 177.356 175.800 0.002 0.000 1.090 164 F CA 1.134 59.139 58.000 0.009 0.000 1.235 164 F CB 0.456 39.467 39.000 0.018 0.000 1.119 164 F HN 0.179 nan 8.300 nan 0.000 0.562 165 T N 4.004 118.082 114.554 -0.793 0.000 7.714 165 T HA -0.256 4.095 4.350 0.001 0.000 0.312 165 T C 0.337 174.906 174.700 -0.220 0.000 1.937 165 T CA 1.287 63.048 62.100 -0.566 0.000 2.886 165 T CB -1.530 67.019 68.868 -0.532 0.000 2.426 165 T HN 0.502 nan 8.240 nan 0.000 1.226 180 A N 0.515 123.385 122.820 0.084 0.000 2.333 180 A HA 0.437 4.758 4.320 0.001 0.000 0.298 180 A C -1.006 176.604 177.584 0.043 0.000 1.239 180 A CA -0.606 51.489 52.037 0.097 0.000 0.896 180 A CB -0.775 18.345 19.000 0.200 0.000 1.421 180 A HN 0.085 nan 8.150 nan 0.000 0.433 181 F N 2.047 121.801 119.950 -0.326 0.000 2.604 181 F HA 0.315 4.843 4.527 0.001 0.000 0.390 181 F C -0.410 175.199 175.800 -0.318 0.000 1.053 181 F CA 0.584 58.248 58.000 -0.559 0.000 1.256 181 F CB 0.312 38.430 39.000 -1.470 0.000 0.996 181 F HN 0.394 nan 8.300 nan 0.000 0.564 182 L N 8.811 129.488 121.223 -0.909 0.000 2.377 182 L HA 0.431 4.772 4.340 0.001 0.000 0.270 182 L C -2.235 173.967 176.870 -1.113 0.000 0.991 182 L CA -1.636 52.757 54.840 -0.746 0.000 0.851 182 L CB 1.178 42.986 42.059 -0.418 0.000 1.218 182 L HN 0.444 nan 8.230 nan 0.000 0.420 183 P HA 0.276 nan 4.420 nan 0.000 0.276 183 P C -0.342 176.794 177.300 -0.273 0.000 1.244 183 P CA -0.347 62.349 63.100 -0.674 0.000 0.801 183 P CB 1.845 33.370 31.700 -0.291 0.000 1.006 184 E N -0.665 119.450 120.200 -0.141 0.000 2.421 184 E HA 0.071 4.421 4.350 0.001 0.000 0.209 184 E C 0.097 176.688 176.600 -0.015 0.000 0.871 184 E CA 0.360 56.721 56.400 -0.065 0.000 1.064 184 E CB 0.547 30.209 29.700 -0.063 0.000 1.075 184 E HN 0.588 nan 8.360 nan 0.000 0.513 185 T N -2.281 112.281 114.554 0.014 0.000 2.893 185 T HA 0.328 4.679 4.350 0.001 0.000 0.291 185 T C 0.793 175.537 174.700 0.075 0.000 1.028 185 T CA -0.727 61.399 62.100 0.043 0.000 0.995 185 T CB 1.906 70.806 68.868 0.054 0.000 1.051 185 T HN -0.270 nan 8.240 nan 0.000 0.470 186 S N 1.370 117.120 115.700 0.084 0.000 2.383 186 S HA -0.134 4.337 4.470 0.001 0.000 0.229 186 S C 1.466 176.180 174.600 0.190 0.000 1.030 186 S CA 1.543 59.822 58.200 0.133 0.000 1.002 186 S CB -0.495 62.793 63.200 0.146 0.000 0.829 186 S HN 0.827 nan 8.310 nan 0.000 0.467 187 D N 1.885 122.379 120.400 0.157 0.000 2.092 187 D HA -0.051 4.590 4.640 0.001 0.000 0.193 187 D C 2.158 178.574 176.300 0.192 0.000 0.994 187 D CA 1.423 55.522 54.000 0.165 0.000 0.828 187 D CB -0.556 40.315 40.800 0.118 0.000 0.963 187 D HN 0.379 nan 8.370 nan 0.000 0.450 188 A N 0.087 123.019 122.820 0.186 0.000 2.024 188 A HA -0.148 4.173 4.320 0.001 0.000 0.220 188 A C 2.058 179.855 177.584 0.356 0.000 1.164 188 A CA 1.055 53.244 52.037 0.253 0.000 0.643 188 A CB -0.571 18.578 19.000 0.248 0.000 0.806 188 A HN 0.265 nan 8.150 nan 0.000 0.451 189 L N -0.591 120.805 121.223 0.288 0.000 2.049 189 L HA 0.110 4.451 4.340 0.001 0.000 0.203 189 L C 2.671 179.693 176.870 0.252 0.000 1.074 189 L CA 2.132 57.129 54.840 0.263 0.000 0.749 189 L CB -0.929 41.111 42.059 -0.033 0.000 0.907 189 L HN 0.278 nan 8.230 nan 0.000 0.439 190 A N -0.750 122.255 122.820 0.308 0.000 1.940 190 A HA -0.286 4.035 4.320 0.001 0.000 0.219 190 A C 2.017 179.794 177.584 0.322 0.000 1.176 190 A CA 1.992 54.325 52.037 0.493 0.000 0.631 190 A CB -1.105 18.202 19.000 0.512 0.000 0.814 190 A HN 0.578 nan 8.150 nan 0.000 0.446 191 D N -1.646 118.904 120.400 0.249 0.000 2.127 191 D HA -0.225 4.416 4.640 0.001 0.000 0.190 191 D C 1.572 177.974 176.300 0.169 0.000 1.000 191 D CA 1.863 55.971 54.000 0.179 0.000 0.839 191 D CB -0.287 40.617 40.800 0.173 0.000 0.955 191 D HN 0.669 nan 8.370 nan 0.000 0.446 192 W N -0.618 120.668 121.300 -0.023 0.000 2.418 192 W HA -0.138 4.522 4.660 0.001 0.000 0.292 192 W C 1.786 178.372 176.519 0.112 0.000 1.213 192 W CA 0.717 57.989 57.345 -0.122 0.000 1.283 192 W CB -0.485 28.538 29.460 -0.728 0.000 1.119 192 W HN 0.040 nan 8.180 nan 0.000 0.542 193 Y N 0.219 120.612 120.300 0.155 0.000 2.561 193 Y HA -0.042 4.508 4.550 0.001 0.000 0.291 193 Y C 1.979 177.876 175.900 -0.005 0.000 1.141 193 Y CA 0.961 59.095 58.100 0.057 0.000 1.303 193 Y CB -0.582 37.974 38.460 0.161 0.000 1.015 193 Y HN -0.019 nan 8.280 nan 0.000 0.547 194 L N -0.250 120.963 121.223 -0.017 0.000 2.217 194 L HA 0.028 4.369 4.340 0.001 0.000 0.211 194 L C 2.119 178.839 176.870 -0.251 0.000 1.107 194 L CA 1.879 56.655 54.840 -0.106 0.000 0.783 194 L CB -0.500 41.549 42.059 -0.016 0.000 0.919 194 L HN 0.162 nan 8.230 nan 0.000 0.442 195 A N -2.934 119.666 122.820 -0.367 0.000 2.197 195 A HA 0.146 4.466 4.320 0.001 0.000 0.210 195 A C 0.335 177.391 177.584 -0.880 0.000 1.180 195 A CA -0.025 51.667 52.037 -0.574 0.000 0.846 195 A CB -0.185 18.445 19.000 -0.618 0.000 0.884 195 A HN 0.488 nan 8.150 nan 0.000 0.487 196 H N 0.071 118.768 119.070 -0.622 0.000 2.530 196 H HA 0.205 4.762 4.556 0.001 0.000 0.246 196 H C -2.165 172.833 175.328 -0.549 0.000 1.346 196 H CA -1.435 54.231 56.048 -0.637 0.000 1.424 196 H CB 1.116 30.207 29.762 -1.119 0.000 1.445 196 H HN 0.300 nan 8.280 nan 0.000 0.511 197 P HA -0.098 nan 4.420 nan 0.000 0.217 197 P C 1.057 178.279 177.300 -0.129 0.000 1.154 197 P CA 0.824 63.694 63.100 -0.383 0.000 0.841 197 P CB 0.633 32.176 31.700 -0.261 0.000 0.788 198 E N 0.458 120.624 120.200 -0.057 0.000 2.424 198 E HA 0.313 4.664 4.350 0.001 0.000 0.237 198 E C -0.500 176.161 176.600 0.103 0.000 1.381 198 E CA -0.444 55.975 56.400 0.033 0.000 1.587 198 E CB -1.224 28.482 29.700 0.010 0.000 1.398 198 E HN 0.097 nan 8.360 nan 0.000 0.439 199 A N 0.471 123.402 122.820 0.185 0.000 2.292 199 A HA 0.444 4.765 4.320 0.001 0.000 0.319 199 A C -0.017 177.747 177.584 0.300 0.000 1.206 199 A CA -0.697 51.504 52.037 0.273 0.000 0.835 199 A CB 0.832 20.038 19.000 0.344 0.000 1.164 199 A HN 0.245 nan 8.150 nan 0.000 0.505 200 T N 4.057 118.741 114.554 0.217 0.000 2.743 200 T HA 0.351 4.702 4.350 0.001 0.000 0.290 200 T C 0.097 174.836 174.700 0.064 0.000 0.908 200 T CA 0.298 62.495 62.100 0.161 0.000 1.092 200 T CB -0.551 68.406 68.868 0.148 0.000 0.882 200 T HN 0.417 nan 8.240 nan 0.000 0.531 201 L N 4.347 125.589 121.223 0.032 0.000 2.290 201 L HA 0.468 4.808 4.340 0.001 0.000 0.284 201 L C -0.175 176.603 176.870 -0.152 0.000 1.078 201 L CA -0.662 54.122 54.840 -0.092 0.000 0.815 201 L CB 0.515 42.486 42.059 -0.147 0.000 1.162 201 L HN 0.502 nan 8.230 nan 0.000 0.435 202 I N 2.701 123.118 120.570 -0.256 0.000 2.382 202 I HA 0.380 4.550 4.170 0.001 0.000 0.285 202 I C 0.602 176.637 176.117 -0.136 0.000 1.007 202 I CA 0.225 61.381 61.300 -0.239 0.000 1.142 202 I CB 1.662 39.440 38.000 -0.370 0.000 1.289 202 I HN 0.745 nan 8.210 nan 0.000 0.453 203 A N 4.820 127.586 122.820 -0.091 0.000 3.272 203 A HA 0.439 4.759 4.320 0.001 0.000 0.201 203 A C 1.971 179.535 177.584 -0.034 0.000 2.039 203 A CA 0.867 52.871 52.037 -0.056 0.000 0.955 203 A CB -1.310 17.657 19.000 -0.055 0.000 1.292 203 A HN 0.677 nan 8.150 nan 0.000 0.453 204 G N -1.704 107.070 108.800 -0.043 0.000 2.448 204 G HA2 0.299 4.260 3.960 0.001 0.000 0.218 204 G HA3 0.299 4.260 3.960 0.001 0.000 0.218 204 G C 1.296 176.175 174.900 -0.035 0.000 1.135 204 G CA 1.049 46.126 45.100 -0.038 0.000 0.784 204 G HN 2.022 nan 8.290 nan 0.000 0.543 205 G N -0.580 108.184 108.800 -0.060 0.000 2.143 205 G HA2 -0.307 3.653 3.960 0.001 0.000 0.248 205 G HA3 -0.307 3.653 3.960 0.001 0.000 0.248 205 G C 1.180 176.017 174.900 -0.105 0.000 0.991 205 G CA 1.526 46.574 45.100 -0.087 0.000 0.689 205 G HN 1.251 nan 8.290 nan 0.000 0.522 206 T N -3.828 110.676 114.554 -0.084 0.000 3.148 206 T HA 0.292 4.643 4.350 0.001 0.000 0.253 206 T C 1.261 175.898 174.700 -0.106 0.000 1.134 206 T CA 1.498 63.560 62.100 -0.064 0.000 1.051 206 T CB 0.363 69.226 68.868 -0.008 0.000 0.959 206 T HN 0.128 nan 8.240 nan 0.000 0.525 207 D N 0.015 120.292 120.400 -0.205 0.000 2.461 207 D HA 0.202 4.843 4.640 0.001 0.000 0.266 207 D C 2.002 177.820 176.300 -0.804 0.000 1.085 207 D CA 0.110 53.912 54.000 -0.329 0.000 0.887 207 D CB 0.495 41.168 40.800 -0.212 0.000 1.309 207 D HN 0.236 nan 8.370 nan 0.000 0.498 208 V N 1.133 120.576 119.914 -0.784 0.000 2.548 208 V HA -0.127 3.993 4.120 0.001 0.000 0.249 208 V C 2.337 178.135 176.094 -0.495 0.000 1.055 208 V CA 1.844 63.549 62.300 -0.991 0.000 1.065 208 V CB -0.701 30.789 31.823 -0.554 0.000 0.681 208 V HN 0.230 nan 8.190 nan 0.000 0.462 209 S N -0.007 115.531 115.700 -0.270 0.000 2.489 209 S HA 0.055 4.525 4.470 0.001 0.000 0.228 209 S C 1.782 176.361 174.600 -0.035 0.000 0.995 209 S CA 0.749 58.895 58.200 -0.090 0.000 0.934 209 S CB -0.468 62.705 63.200 -0.045 0.000 0.771 209 S HN 0.529 nan 8.310 nan 0.000 0.522 210 L N -0.604 120.567 121.223 -0.088 0.000 2.478 210 L HA 0.099 4.439 4.340 0.001 0.000 0.223 210 L C 1.872 178.880 176.870 0.231 0.000 1.140 210 L CA 0.396 55.263 54.840 0.045 0.000 0.842 210 L CB -0.434 41.648 42.059 0.040 0.000 0.953 210 L HN 0.430 nan 8.230 nan 0.000 0.452 211 W N -0.597 120.725 121.300 0.036 0.000 2.640 211 W HA 0.032 4.692 4.660 0.000 0.000 0.268 211 W C 2.294 178.834 176.519 0.035 0.000 1.263 211 W CA 0.715 58.080 57.345 0.034 0.000 1.344 211 W CB -0.961 28.519 29.460 0.033 0.000 1.093 211 W HN 0.067 nan 8.180 nan 0.000 0.603 212 V N -1.086 118.970 119.914 0.237 0.000 2.685 212 V HA -0.058 4.063 4.120 0.001 0.000 0.244 212 V C 2.027 178.192 176.094 0.118 0.000 1.054 212 V CA 2.229 64.623 62.300 0.158 0.000 1.076 212 V CB -0.762 31.135 31.823 0.123 0.000 0.725 212 V HN 0.086 nan 8.190 nan 0.000 0.467 213 T N -2.050 112.568 114.554 0.105 0.000 2.894 213 T HA 0.039 4.390 4.350 0.001 0.000 0.258 213 T C 1.881 176.633 174.700 0.086 0.000 1.043 213 T CA 1.440 63.591 62.100 0.084 0.000 1.141 213 T CB -0.124 68.785 68.868 0.068 0.000 0.873 213 T HN 0.399 nan 8.240 nan 0.000 0.449 214 K N 1.679 122.141 120.400 0.103 0.000 2.161 214 K HA 0.538 4.858 4.320 0.001 0.000 0.205 214 K C 2.324 178.983 176.600 0.099 0.000 1.035 214 K CA 0.939 57.284 56.287 0.096 0.000 0.970 214 K CB -0.841 31.720 32.500 0.101 0.000 0.866 214 K HN 0.326 nan 8.250 nan 0.000 0.461 215 A N 0.739 123.639 122.820 0.133 0.000 2.206 215 A HA 0.173 4.494 4.320 0.001 0.000 0.211 215 A C 0.011 177.646 177.584 0.085 0.000 1.158 215 A CA 0.315 52.414 52.037 0.103 0.000 0.761 215 A CB -0.721 18.345 19.000 0.110 0.000 0.801 215 A HN 0.391 nan 8.150 nan 0.000 0.473 216 L N -0.635 120.649 121.223 0.101 0.000 3.826 216 L HA -0.231 4.110 4.340 0.001 0.000 0.566 216 L C -0.190 176.728 176.870 0.080 0.000 1.217 216 L CA 0.282 55.172 54.840 0.085 0.000 0.823 216 L CB -1.588 40.508 42.059 0.062 0.000 1.381 216 L HN 0.472 nan 8.230 nan 0.000 0.825 217 R N 0.506 121.072 120.500 0.110 0.000 2.562 217 R HA 0.515 4.856 4.340 0.001 0.000 0.298 217 R C -0.594 175.771 176.300 0.109 0.000 0.961 217 R CA -1.124 55.035 56.100 0.098 0.000 0.881 217 R CB 1.845 32.208 30.300 0.104 0.000 1.159 217 R HN 0.079 nan 8.270 nan 0.000 0.450 218 D N 3.535 123.986 120.400 0.084 0.000 2.225 218 D HA 0.294 4.934 4.640 0.001 0.000 0.248 218 D C -0.422 175.933 176.300 0.092 0.000 1.096 218 D CA -0.242 53.809 54.000 0.084 0.000 0.863 218 D CB 1.294 42.134 40.800 0.066 0.000 1.156 218 D HN 0.305 nan 8.370 nan 0.000 0.450 219 L N 0.638 121.922 121.223 0.102 0.000 2.490 219 L HA 0.475 4.815 4.340 0.001 0.000 0.256 219 L C -2.667 174.262 176.870 0.097 0.000 1.089 219 L CA -1.710 53.194 54.840 0.108 0.000 0.916 219 L CB 1.204 43.347 42.059 0.140 0.000 1.188 219 L HN -0.020 nan 8.230 nan 0.000 0.476 220 P HA 0.148 nan 4.420 nan 0.000 0.273 220 P C -0.457 176.915 177.300 0.120 0.000 1.250 220 P CA -0.212 62.947 63.100 0.099 0.000 0.793 220 P CB 0.388 32.142 31.700 0.089 0.000 1.011 221 E N -1.439 118.848 120.200 0.146 0.000 2.811 221 E HA -0.090 4.260 4.350 0.001 0.000 0.150 221 E C -0.777 175.961 176.600 0.230 0.000 1.823 221 E CA 0.028 56.562 56.400 0.222 0.000 0.661 221 E CB -0.989 28.833 29.700 0.204 0.000 1.086 221 E HN 0.262 nan 8.360 nan 0.000 0.354 222 V N -0.922 119.079 119.914 0.145 0.000 2.769 222 V HA 0.956 5.076 4.120 0.001 0.000 0.312 222 V C -0.109 175.878 176.094 -0.178 0.000 1.061 222 V CA -0.323 61.951 62.300 -0.042 0.000 0.931 222 V CB 2.240 33.958 31.823 -0.175 0.000 1.010 222 V HN 0.533 nan 8.190 nan 0.000 0.433 223 A N 3.339 125.974 122.820 -0.308 0.000 2.414 223 A HA 0.822 5.143 4.320 0.001 0.000 0.286 223 A C -1.159 176.182 177.584 -0.405 0.000 1.073 223 A CA -0.372 51.464 52.037 -0.336 0.000 0.727 223 A CB 0.807 19.696 19.000 -0.184 0.000 1.215 223 A HN 0.756 nan 8.150 nan 0.000 0.430 224 F N 3.247 123.093 119.950 -0.173 0.000 2.404 224 F HA 0.256 4.783 4.527 0.001 0.000 0.359 224 F C 1.230 176.941 175.800 -0.149 0.000 1.134 224 F CA -0.294 57.630 58.000 -0.127 0.000 1.160 224 F CB 0.871 39.832 39.000 -0.065 0.000 1.186 224 F HN 0.545 nan 8.300 nan 0.000 0.526 225 L N 1.582 122.790 121.223 -0.026 0.000 2.552 225 L HA -0.034 4.306 4.340 0.001 0.000 0.227 225 L C 1.899 178.733 176.870 -0.059 0.000 1.146 225 L CA 0.396 55.192 54.840 -0.073 0.000 0.858 225 L CB -0.633 41.356 42.059 -0.115 0.000 0.969 225 L HN 0.655 nan 8.230 nan 0.000 0.451 226 S N -1.868 113.803 115.700 -0.049 0.000 2.803 226 S HA -0.052 4.418 4.470 0.001 0.000 0.226 226 S C 0.988 175.346 174.600 -0.403 0.000 0.962 226 S CA 0.192 58.279 58.200 -0.188 0.000 0.968 226 S CB -0.540 62.542 63.200 -0.197 0.000 0.786 226 S HN 0.476 nan 8.310 nan 0.000 0.527 227 H N -0.843 118.174 119.070 -0.087 0.000 2.885 227 H HA 0.334 4.890 4.556 0.001 0.000 0.254 227 H C -0.817 174.449 175.328 -0.103 0.000 1.185 227 H CA -0.603 55.381 56.048 -0.107 0.000 1.029 227 H CB 0.226 29.901 29.762 -0.144 0.000 1.743 227 H HN 0.378 nan 8.280 nan 0.000 0.632 228 C N 2.306 121.595 119.300 -0.019 0.000 2.242 228 C HA 0.191 4.651 4.460 0.001 0.000 0.317 228 C C 1.834 176.809 174.990 -0.024 0.000 1.087 228 C CA -0.533 58.471 59.018 -0.022 0.000 1.535 228 C CB -0.228 27.495 27.740 -0.029 0.000 1.893 228 C HN 0.477 nan 8.230 nan 0.000 0.426 229 K N 1.377 121.766 120.400 -0.020 0.000 2.103 229 K HA -0.163 4.157 4.320 0.001 0.000 0.207 229 K C 1.584 178.171 176.600 -0.021 0.000 1.048 229 K CA 1.845 58.117 56.287 -0.026 0.000 0.930 229 K CB 0.074 32.561 32.500 -0.020 0.000 0.716 229 K HN 0.769 nan 8.250 nan 0.000 0.444 230 D N 0.705 121.102 120.400 -0.006 0.000 2.348 230 D HA -0.156 4.485 4.640 0.001 0.000 0.216 230 D C 1.678 177.983 176.300 0.009 0.000 0.970 230 D CA 0.641 54.643 54.000 0.003 0.000 0.889 230 D CB -0.190 40.620 40.800 0.017 0.000 0.912 230 D HN 0.192 nan 8.370 nan 0.000 0.524 231 L N -0.299 120.929 121.223 0.009 0.000 2.354 231 L HA 0.263 4.603 4.340 0.001 0.000 0.212 231 L C 0.998 177.861 176.870 -0.012 0.000 1.091 231 L CA 0.308 55.160 54.840 0.019 0.000 0.828 231 L CB 0.103 42.180 42.059 0.029 0.000 0.973 231 L HN -0.003 nan 8.230 nan 0.000 0.461 232 A N 0.503 123.303 122.820 -0.034 0.000 3.000 232 A HA 0.424 4.744 4.320 0.001 0.000 0.315 232 A C -0.629 176.915 177.584 -0.067 0.000 1.434 232 A CA -0.342 51.661 52.037 -0.056 0.000 1.108 232 A CB -0.118 18.842 19.000 -0.066 0.000 1.171 232 A HN 0.204 nan 8.150 nan 0.000 0.524 233 Q N 1.168 120.924 119.800 -0.074 0.000 2.347 233 Q HA 0.414 4.755 4.340 0.001 0.000 0.271 233 Q C -0.964 174.952 176.000 -0.139 0.000 1.064 233 Q CA -0.514 55.235 55.803 -0.089 0.000 0.800 233 Q CB 2.366 31.069 28.738 -0.059 0.000 1.304 233 Q HN 0.537 nan 8.270 nan 0.000 0.438 234 I N 2.318 122.774 120.570 -0.191 0.000 2.315 234 I HA 0.403 4.574 4.170 0.001 0.000 0.291 234 I C 0.141 176.152 176.117 -0.175 0.000 1.006 234 I CA -0.178 60.936 61.300 -0.310 0.000 1.265 234 I CB 0.993 38.681 38.000 -0.520 0.000 1.387 234 I HN 0.373 nan 8.210 nan 0.000 0.475 235 R N 4.553 124.992 120.500 -0.102 0.000 2.621 235 R HA 0.318 4.658 4.340 0.001 0.000 0.284 235 R C -0.742 175.609 176.300 0.086 0.000 0.998 235 R CA -0.646 55.449 56.100 -0.008 0.000 0.895 235 R CB 2.217 32.506 30.300 -0.018 0.000 1.195 235 R HN 0.642 nan 8.270 nan 0.000 0.450 236 E N 2.079 122.336 120.200 0.096 0.000 2.200 236 E HA 0.164 4.515 4.350 0.001 0.000 0.283 236 E C -1.221 175.344 176.600 -0.058 0.000 1.015 236 E CA -0.176 56.233 56.400 0.015 0.000 0.819 236 E CB 1.557 31.256 29.700 -0.002 0.000 1.081 236 E HN 0.459 nan 8.360 nan 0.000 0.397 237 T N 3.802 118.293 114.554 -0.106 0.000 2.912 237 T HA 0.335 4.686 4.350 0.001 0.000 0.288 237 T C -1.929 172.706 174.700 -0.107 0.000 1.030 237 T CA -2.356 59.697 62.100 -0.078 0.000 1.020 237 T CB 1.254 70.095 68.868 -0.045 0.000 1.056 237 T HN 0.281 nan 8.240 nan 0.000 0.480 238 P HA -0.193 nan 4.420 nan 0.000 0.220 238 P C 0.811 178.067 177.300 -0.074 0.000 1.155 238 P CA 1.922 64.981 63.100 -0.068 0.000 0.880 238 P CB -0.020 31.654 31.700 -0.044 0.000 0.790 239 D N -2.457 117.906 120.400 -0.061 0.000 2.194 239 D HA 0.088 4.729 4.640 0.001 0.000 0.204 239 D C 1.428 177.694 176.300 -0.056 0.000 0.964 239 D CA 1.421 55.393 54.000 -0.046 0.000 0.846 239 D CB -0.374 40.412 40.800 -0.024 0.000 0.962 239 D HN 0.289 nan 8.370 nan 0.000 0.490 240 G N -1.504 107.237 108.800 -0.097 0.000 2.927 240 G HA2 0.278 4.238 3.960 0.001 0.000 0.111 240 G HA3 0.278 4.238 3.960 0.001 0.000 0.111 240 G C -1.574 173.162 174.900 -0.273 0.000 1.198 240 G CA -0.792 44.231 45.100 -0.128 0.000 1.382 240 G HN 0.135 nan 8.290 nan 0.000 0.663 241 Y N 0.744 121.099 120.300 0.091 0.000 2.386 241 Y HA 0.553 5.104 4.550 0.001 0.000 0.334 241 Y C 0.421 176.330 175.900 0.015 0.000 1.002 241 Y CA -0.322 57.829 58.100 0.085 0.000 1.068 241 Y CB 2.668 41.271 38.460 0.238 0.000 1.203 241 Y HN 0.648 nan 8.280 nan 0.000 0.443 242 G N 4.482 113.359 108.800 0.128 0.000 2.571 242 G HA2 0.500 4.460 3.960 0.001 0.000 0.327 242 G HA3 0.500 4.460 3.960 0.001 0.000 0.327 242 G C -0.873 174.015 174.900 -0.020 0.000 1.008 242 G CA -0.279 44.842 45.100 0.034 0.000 1.136 242 G HN 0.448 nan 8.290 nan 0.000 0.444 243 I N 2.463 123.013 120.570 -0.034 0.000 2.325 243 I HA 0.322 4.492 4.170 0.001 0.000 0.291 243 I C 1.199 177.277 176.117 -0.066 0.000 1.019 243 I CA -0.065 61.181 61.300 -0.090 0.000 1.302 243 I CB 1.575 39.525 38.000 -0.084 0.000 1.401 243 I HN 0.398 nan 8.210 nan 0.000 0.485 244 G N 4.078 112.834 108.800 -0.072 0.000 2.527 244 G HA2 0.384 4.345 3.960 0.001 0.000 0.248 244 G HA3 0.384 4.345 3.960 0.001 0.000 0.248 244 G C 0.920 175.794 174.900 -0.043 0.000 1.231 244 G CA -0.031 45.042 45.100 -0.046 0.000 0.838 244 G HN 0.846 nan 8.290 nan 0.000 0.570 245 A N 1.012 123.821 122.820 -0.019 0.000 2.125 245 A HA 0.099 4.419 4.320 0.001 0.000 0.219 245 A C 2.333 179.903 177.584 -0.022 0.000 1.156 245 A CA 1.868 53.896 52.037 -0.014 0.000 0.671 245 A CB -0.250 18.762 19.000 0.020 0.000 0.794 245 A HN 0.989 nan 8.150 nan 0.000 0.459 246 G N -1.042 107.741 108.800 -0.028 0.000 2.880 246 G HA2 0.306 4.266 3.960 0.001 0.000 0.209 246 G HA3 0.306 4.266 3.960 0.001 0.000 0.209 246 G C 0.435 175.296 174.900 -0.065 0.000 1.157 246 G CA 0.200 45.272 45.100 -0.046 0.000 0.779 246 G HN 0.226 nan 8.290 nan 0.000 0.539 247 V N 2.590 122.460 119.914 -0.073 0.000 2.599 247 V HA 0.202 4.322 4.120 0.001 0.000 0.300 247 V C 1.121 177.159 176.094 -0.094 0.000 1.034 247 V CA 0.104 62.350 62.300 -0.090 0.000 1.115 247 V CB 0.518 32.277 31.823 -0.107 0.000 0.934 247 V HN 0.414 nan 8.190 nan 0.000 0.485 248 T N 3.698 118.195 114.554 -0.094 0.000 2.910 248 T HA 0.317 4.668 4.350 0.001 0.000 0.293 248 T C 1.283 175.910 174.700 -0.122 0.000 1.015 248 T CA -0.778 61.262 62.100 -0.100 0.000 1.094 248 T CB 0.919 69.736 68.868 -0.084 0.000 0.968 248 T HN 0.278 nan 8.240 nan 0.000 0.521 249 I N 1.865 122.333 120.570 -0.169 0.000 2.208 249 I HA -0.170 4.001 4.170 0.001 0.000 0.245 249 I C 2.938 178.968 176.117 -0.144 0.000 1.097 249 I CA 1.752 62.905 61.300 -0.244 0.000 1.363 249 I CB -2.200 35.528 38.000 -0.453 0.000 1.051 249 I HN 0.910 nan 8.210 nan 0.000 0.413 250 A N 0.987 123.751 122.820 -0.094 0.000 1.892 250 A HA -0.196 4.125 4.320 0.001 0.000 0.218 250 A C 2.566 180.121 177.584 -0.049 0.000 1.188 250 A CA 2.526 54.529 52.037 -0.058 0.000 0.631 250 A CB -0.871 18.102 19.000 -0.046 0.000 0.822 250 A HN 0.447 nan 8.150 nan 0.000 0.447 251 A N -1.053 121.736 122.820 -0.053 0.000 1.929 251 A HA 0.077 4.398 4.320 0.001 0.000 0.216 251 A C 2.123 179.707 177.584 -0.000 0.000 1.176 251 A CA 1.533 53.550 52.037 -0.033 0.000 0.628 251 A CB -0.544 18.424 19.000 -0.053 0.000 0.816 251 A HN 0.605 nan 8.150 nan 0.000 0.444 252 L N -0.100 121.106 121.223 -0.029 0.000 2.046 252 L HA -0.114 4.227 4.340 0.001 0.000 0.208 252 L C 2.486 179.371 176.870 0.025 0.000 1.077 252 L CA 2.241 57.088 54.840 0.011 0.000 0.747 252 L CB -0.472 41.548 42.059 -0.066 0.000 0.896 252 L HN 0.466 nan 8.230 nan 0.000 0.432 253 R N -0.734 119.746 120.500 -0.033 0.000 2.081 253 R HA -0.156 4.184 4.340 0.001 0.000 0.235 253 R C 2.119 178.403 176.300 -0.027 0.000 1.131 253 R CA 1.360 57.438 56.100 -0.037 0.000 0.960 253 R CB -0.341 29.933 30.300 -0.042 0.000 0.856 253 R HN 0.487 nan 8.270 nan 0.000 0.436 254 A N 0.219 123.035 122.820 -0.006 0.000 1.969 254 A HA -0.161 4.160 4.320 0.001 0.000 0.218 254 A C 1.885 179.482 177.584 0.022 0.000 1.169 254 A CA 1.073 53.109 52.037 -0.002 0.000 0.635 254 A CB -0.620 18.381 19.000 0.002 0.000 0.810 254 A HN 0.551 nan 8.150 nan 0.000 0.445 255 F N 0.887 120.777 119.950 -0.099 0.000 2.234 255 F HA 0.157 4.684 4.527 0.001 0.000 0.296 255 F C 2.343 178.066 175.800 -0.128 0.000 1.089 255 F CA 0.794 58.716 58.000 -0.130 0.000 1.343 255 F CB -0.473 38.429 39.000 -0.164 0.000 1.040 255 F HN 0.216 nan 8.300 nan 0.000 0.498 256 A N 0.279 122.889 122.820 -0.350 0.000 1.902 256 A HA -0.217 4.104 4.320 0.001 0.000 0.217 256 A C 2.006 179.429 177.584 -0.269 0.000 1.181 256 A CA 1.694 53.515 52.037 -0.361 0.000 0.623 256 A CB -1.066 17.853 19.000 -0.135 0.000 0.818 256 A HN 0.466 nan 8.150 nan 0.000 0.443 257 E N -0.490 119.602 120.200 -0.180 0.000 2.276 257 E HA -0.250 4.100 4.350 0.001 0.000 0.226 257 E C 1.776 178.287 176.600 -0.149 0.000 1.090 257 E CA 2.201 58.523 56.400 -0.130 0.000 0.930 257 E CB -0.710 28.931 29.700 -0.098 0.000 0.791 257 E HN 0.568 nan 8.360 nan 0.000 0.467 258 G N -0.362 108.313 108.800 -0.209 0.000 2.670 258 G HA2 -0.095 3.866 3.960 0.001 0.000 0.215 258 G HA3 -0.095 3.866 3.960 0.001 0.000 0.215 258 G C -0.923 173.849 174.900 -0.214 0.000 1.359 258 G CA 0.877 45.864 45.100 -0.188 0.000 0.897 258 G HN 0.307 nan 8.290 nan 0.000 0.552 259 P HA -0.105 nan 4.420 nan 0.000 0.215 259 P C -0.075 176.991 177.300 -0.390 0.000 1.157 259 P CA 1.330 64.264 63.100 -0.276 0.000 0.874 259 P CB -0.116 31.430 31.700 -0.258 0.000 0.790 260 H N -1.661 117.269 119.070 -0.234 0.000 2.418 260 H HA 0.270 4.827 4.556 0.001 0.000 0.238 260 H C -1.911 173.338 175.328 -0.131 0.000 1.403 260 H CA -1.652 54.306 56.048 -0.149 0.000 1.419 260 H CB 0.645 30.327 29.762 -0.134 0.000 1.463 260 H HN 0.081 nan 8.280 nan 0.000 0.515 261 P HA -0.131 nan 4.420 nan 0.000 0.225 261 P C 1.276 178.565 177.300 -0.018 0.000 1.148 261 P CA 1.002 64.074 63.100 -0.047 0.000 0.779 261 P CB 0.473 32.139 31.700 -0.057 0.000 0.780 262 A N -0.510 122.312 122.820 0.003 0.000 1.898 262 A HA -0.089 4.231 4.320 0.001 0.000 0.214 262 A C 2.044 179.630 177.584 0.003 0.000 1.183 262 A CA 1.019 53.059 52.037 0.005 0.000 0.622 262 A CB -1.511 17.495 19.000 0.010 0.000 0.824 262 A HN 0.168 nan 8.150 nan 0.000 0.444 263 L N 0.052 121.289 121.223 0.024 0.000 2.046 263 L HA -0.039 4.302 4.340 0.001 0.000 0.208 263 L C 2.608 179.470 176.870 -0.014 0.000 1.077 263 L CA 2.227 57.063 54.840 -0.007 0.000 0.747 263 L CB -0.809 41.227 42.059 -0.038 0.000 0.896 263 L HN 0.333 nan 8.230 nan 0.000 0.432 264 A N -0.220 122.588 122.820 -0.020 0.000 1.892 264 A HA -0.163 4.157 4.320 0.001 0.000 0.218 264 A C 2.379 179.956 177.584 -0.011 0.000 1.188 264 A CA 1.853 53.873 52.037 -0.027 0.000 0.631 264 A CB -1.766 17.207 19.000 -0.045 0.000 0.822 264 A HN 0.560 nan 8.150 nan 0.000 0.447 265 G N -0.463 108.333 108.800 -0.008 0.000 2.442 265 G HA2 -0.181 3.780 3.960 0.001 0.000 0.219 265 G HA3 -0.181 3.780 3.960 0.001 0.000 0.219 265 G C 1.516 176.427 174.900 0.019 0.000 1.141 265 G CA 1.315 46.415 45.100 0.001 0.000 0.763 265 G HN 0.518 nan 8.290 nan 0.000 0.554 266 L N 0.277 121.514 121.223 0.024 0.000 2.023 266 L HA 0.190 4.531 4.340 0.001 0.000 0.205 266 L C 2.652 179.576 176.870 0.090 0.000 1.073 266 L CA 1.236 56.107 54.840 0.052 0.000 0.745 266 L CB -0.375 41.705 42.059 0.036 0.000 0.900 266 L HN 0.167 nan 8.230 nan 0.000 0.435 267 L N -0.396 120.869 121.223 0.070 0.000 2.349 267 L HA -0.190 4.150 4.340 0.001 0.000 0.220 267 L C 2.725 179.654 176.870 0.097 0.000 1.130 267 L CA 0.731 55.623 54.840 0.087 0.000 0.791 267 L CB -0.661 41.384 42.059 -0.023 0.000 0.918 267 L HN 0.372 nan 8.230 nan 0.000 0.444 268 R N 1.113 121.647 120.500 0.058 0.000 2.096 268 R HA -0.165 4.175 4.340 0.001 0.000 0.240 268 R C 1.465 177.809 176.300 0.074 0.000 1.139 268 R CA 1.544 57.670 56.100 0.043 0.000 0.952 268 R CB -0.046 30.263 30.300 0.015 0.000 0.854 268 R HN 0.342 nan 8.270 nan 0.000 0.436 269 R N -0.620 119.937 120.500 0.095 0.000 2.568 269 R HA 0.077 4.418 4.340 0.001 0.000 0.288 269 R C -0.534 175.838 176.300 0.120 0.000 1.077 269 R CA -0.330 55.828 56.100 0.097 0.000 1.102 269 R CB 0.002 30.358 30.300 0.093 0.000 1.278 269 R HN 0.035 nan 8.270 nan 0.000 0.560 270 F N 1.498 121.455 119.950 0.012 0.000 2.375 270 F HA 0.331 4.858 4.527 0.001 0.000 0.362 270 F C 0.885 176.688 175.800 0.006 0.000 1.129 270 F CA -0.024 57.982 58.000 0.010 0.000 1.154 270 F CB 0.275 39.278 39.000 0.004 0.000 1.205 270 F HN 0.303 nan 8.300 nan 0.000 0.513 271 A N 3.049 125.808 122.820 -0.102 0.000 5.585 271 A HA -0.239 4.082 4.320 0.001 0.000 0.295 271 A C 0.343 177.948 177.584 0.036 0.000 1.985 271 A CA 1.101 53.120 52.037 -0.030 0.000 0.716 271 A CB -2.084 16.947 19.000 0.052 0.000 1.237 271 A HN 1.425 nan 8.150 nan 0.000 0.371 272 S N -1.293 114.435 115.700 0.047 0.000 2.715 272 S HA 0.631 5.102 4.470 0.001 0.000 0.307 272 S C 0.457 175.078 174.600 0.034 0.000 1.119 272 S CA 0.653 58.870 58.200 0.028 0.000 0.937 272 S CB 1.784 64.982 63.200 -0.003 0.000 1.150 272 S HN 1.345 nan 8.310 nan 0.000 0.521 273 E N 0.567 120.771 120.200 0.007 0.000 2.118 273 E HA -0.186 4.164 4.350 0.001 0.000 0.195 273 E C 1.813 178.407 176.600 -0.011 0.000 0.992 273 E CA 1.763 58.160 56.400 -0.004 0.000 0.804 273 E CB -0.470 29.218 29.700 -0.021 0.000 0.741 273 E HN 0.665 nan 8.360 nan 0.000 0.458 274 Q N -0.551 119.236 119.800 -0.021 0.000 2.077 274 Q HA -0.129 4.212 4.340 0.001 0.000 0.206 274 Q C 2.225 178.218 176.000 -0.011 0.000 0.989 274 Q CA 2.037 57.824 55.803 -0.027 0.000 0.853 274 Q CB -0.230 28.486 28.738 -0.037 0.000 0.907 274 Q HN 0.236 nan 8.270 nan 0.000 0.418 275 V N -0.077 119.845 119.914 0.013 0.000 2.649 275 V HA -0.115 4.005 4.120 0.001 0.000 0.248 275 V C 2.011 178.139 176.094 0.056 0.000 1.054 275 V CA 1.252 63.574 62.300 0.036 0.000 1.073 275 V CB -0.345 31.513 31.823 0.058 0.000 0.699 275 V HN 0.246 nan 8.190 nan 0.000 0.463 276 R N -0.189 120.349 120.500 0.063 0.000 2.152 276 R HA -0.133 4.208 4.340 0.001 0.000 0.232 276 R C 2.336 178.625 176.300 -0.019 0.000 1.117 276 R CA 0.946 57.068 56.100 0.037 0.000 0.981 276 R CB -0.096 30.227 30.300 0.038 0.000 0.870 276 R HN 0.497 nan 8.270 nan 0.000 0.451 277 Q N -0.399 119.388 119.800 -0.022 0.000 2.230 277 Q HA -0.078 4.262 4.340 0.001 0.000 0.202 277 Q C 2.055 178.023 176.000 -0.052 0.000 0.963 277 Q CA 1.448 57.225 55.803 -0.043 0.000 0.866 277 Q CB 0.370 29.081 28.738 -0.045 0.000 0.931 277 Q HN 0.391 nan 8.270 nan 0.000 0.452 278 V N -3.693 116.196 119.914 -0.041 0.000 3.307 278 V HA 0.450 4.571 4.120 0.001 0.000 0.244 278 V C 0.993 177.064 176.094 -0.038 0.000 1.196 278 V CA 0.231 62.501 62.300 -0.050 0.000 1.132 278 V CB -0.418 31.375 31.823 -0.051 0.000 0.875 278 V HN 0.017 nan 8.190 nan 0.000 0.468 279 A N 2.604 125.418 122.820 -0.009 0.000 2.488 279 A HA 0.557 4.878 4.320 0.001 0.000 0.249 279 A C 0.655 178.214 177.584 -0.042 0.000 1.083 279 A CA 0.781 52.825 52.037 0.012 0.000 0.768 279 A CB -0.354 18.716 19.000 0.116 0.000 1.017 279 A HN 0.860 nan 8.150 nan 0.000 0.496 280 T N 0.107 114.637 114.554 -0.040 0.000 2.952 280 T HA 0.477 4.828 4.350 0.001 0.000 0.286 280 T C 1.033 175.689 174.700 -0.074 0.000 1.024 280 T CA -0.218 61.840 62.100 -0.069 0.000 1.029 280 T CB 0.884 69.720 68.868 -0.052 0.000 1.094 280 T HN 0.531 nan 8.240 nan 0.000 0.515 281 I N 1.472 121.988 120.570 -0.090 0.000 2.163 281 I HA 0.174 4.345 4.170 0.001 0.000 0.240 281 I C 2.400 178.512 176.117 -0.008 0.000 1.081 281 I CA 1.923 63.178 61.300 -0.075 0.000 1.353 281 I CB -0.935 37.014 38.000 -0.084 0.000 1.054 281 I HN 0.896 nan 8.210 nan 0.000 0.407 282 G N -0.521 108.272 108.800 -0.012 0.000 2.484 282 G HA2 -0.092 3.868 3.960 0.001 0.000 0.218 282 G HA3 -0.092 3.868 3.960 0.001 0.000 0.218 282 G C 1.606 176.531 174.900 0.042 0.000 1.130 282 G CA 0.526 45.630 45.100 0.006 0.000 0.784 282 G HN 0.582 nan 8.290 nan 0.000 0.543 283 G N 0.661 109.482 108.800 0.035 0.000 2.394 283 G HA2 -0.229 3.732 3.960 0.001 0.000 0.214 283 G HA3 -0.229 3.732 3.960 0.001 0.000 0.214 283 G C 1.601 176.565 174.900 0.106 0.000 1.176 283 G CA 0.922 46.052 45.100 0.051 0.000 0.786 283 G HN 0.494 nan 8.290 nan 0.000 0.533 284 N N 0.302 119.076 118.700 0.124 0.000 2.120 284 N HA -0.082 4.659 4.740 0.001 0.000 0.188 284 N C 2.293 177.954 175.510 0.253 0.000 1.024 284 N CA 0.965 54.136 53.050 0.201 0.000 0.852 284 N CB -0.117 38.510 38.487 0.234 0.000 1.003 284 N HN 0.356 nan 8.380 nan 0.000 0.424 285 I N 1.016 121.731 120.570 0.241 0.000 2.202 285 I HA -0.177 3.993 4.170 0.001 0.000 0.242 285 I C 2.412 178.796 176.117 0.445 0.000 1.091 285 I CA 1.085 62.602 61.300 0.362 0.000 1.368 285 I CB -0.261 37.849 38.000 0.185 0.000 1.058 285 I HN 0.132 nan 8.210 nan 0.000 0.410 286 A N 0.413 123.406 122.820 0.288 0.000 2.119 286 A HA -0.184 4.137 4.320 0.001 0.000 0.217 286 A C 1.942 179.710 177.584 0.306 0.000 1.153 286 A CA 1.635 53.866 52.037 0.323 0.000 0.692 286 A CB -0.777 18.341 19.000 0.197 0.000 0.799 286 A HN 0.488 nan 8.150 nan 0.000 0.458 287 N N 0.040 118.901 118.700 0.268 0.000 2.084 287 N HA 0.014 4.754 4.740 0.001 0.000 0.190 287 N C 1.185 176.867 175.510 0.287 0.000 1.030 287 N CA 2.167 55.365 53.050 0.247 0.000 0.849 287 N CB -0.323 38.284 38.487 0.200 0.000 1.012 287 N HN 0.721 nan 8.380 nan 0.000 0.423 288 G N -0.686 108.342 108.800 0.381 0.000 2.149 288 G HA2 -0.247 3.714 3.960 0.001 0.000 0.235 288 G HA3 -0.247 3.714 3.960 0.001 0.000 0.235 288 G C -0.114 174.941 174.900 0.259 0.000 1.018 288 G CA 0.577 45.950 45.100 0.456 0.000 0.728 288 G HN 0.663 nan 8.290 nan 0.000 0.508 289 S N 0.556 116.370 115.700 0.190 0.000 2.549 289 S HA 0.535 5.005 4.470 0.001 0.000 0.279 289 S C 0.197 174.808 174.600 0.019 0.000 1.321 289 S CA -0.365 57.918 58.200 0.139 0.000 1.054 289 S CB 1.290 64.560 63.200 0.118 0.000 0.899 289 S HN 0.183 nan 8.310 nan 0.000 0.497 290 P HA 0.042 nan 4.420 nan 0.000 0.221 290 P C 1.057 178.319 177.300 -0.063 0.000 1.155 290 P CA 0.854 63.924 63.100 -0.050 0.000 0.812 290 P CB -0.256 31.405 31.700 -0.064 0.000 0.801 291 I N -2.734 117.817 120.570 -0.032 0.000 3.749 291 I HA 0.327 4.498 4.170 0.001 0.000 0.314 291 I C 0.818 176.915 176.117 -0.033 0.000 1.278 291 I CA -0.521 60.756 61.300 -0.037 0.000 1.158 291 I CB -0.805 37.175 38.000 -0.033 0.000 1.018 291 I HN -0.259 nan 8.210 nan 0.000 0.435 292 G N 1.241 110.031 108.800 -0.016 0.000 2.378 292 G HA2 0.098 4.058 3.960 0.001 0.000 0.255 292 G HA3 0.098 4.058 3.960 0.001 0.000 0.255 292 G C 0.156 175.077 174.900 0.034 0.000 1.270 292 G CA -0.258 44.855 45.100 0.021 0.000 0.876 292 G HN 0.227 nan 8.290 nan 0.000 0.521 293 D N 2.004 122.458 120.400 0.090 0.000 2.327 293 D HA -0.016 4.624 4.640 0.001 0.000 0.205 293 D C 2.377 178.812 176.300 0.224 0.000 0.989 293 D CA 0.832 54.910 54.000 0.130 0.000 0.873 293 D CB 0.331 41.184 40.800 0.088 0.000 0.955 293 D HN 0.518 nan 8.370 nan 0.000 0.515 294 G N 2.550 111.549 108.800 0.331 0.000 2.552 294 G HA2 -0.217 3.744 3.960 0.001 0.000 0.216 294 G HA3 -0.217 3.744 3.960 0.001 0.000 0.216 294 G C -0.746 174.223 174.900 0.116 0.000 1.240 294 G CA 0.658 45.871 45.100 0.187 0.000 0.796 294 G HN 0.231 nan 8.290 nan 0.000 0.568 295 P HA -0.118 nan 4.420 nan 0.000 0.214 295 P C -1.049 176.291 177.300 0.068 0.000 1.169 295 P CA 2.720 65.898 63.100 0.129 0.000 0.908 295 P CB -0.915 30.814 31.700 0.048 0.000 0.791 296 P HA -0.217 nan 4.420 nan 0.000 0.216 296 P C 1.351 178.631 177.300 -0.033 0.000 1.150 296 P CA 2.223 65.311 63.100 -0.020 0.000 0.843 296 P CB -0.519 31.146 31.700 -0.058 0.000 0.787 297 A N 0.699 123.506 122.820 -0.023 0.000 1.845 297 A HA -0.143 4.178 4.320 0.001 0.000 0.215 297 A C 2.391 179.960 177.584 -0.025 0.000 1.195 297 A CA 1.495 53.509 52.037 -0.038 0.000 0.616 297 A CB -1.539 17.443 19.000 -0.029 0.000 0.832 297 A HN 0.054 nan 8.150 nan 0.000 0.443 298 L N -0.433 120.790 121.223 -0.000 0.000 2.127 298 L HA -0.150 4.191 4.340 0.001 0.000 0.211 298 L C 2.432 179.323 176.870 0.035 0.000 1.089 298 L CA 1.614 56.459 54.840 0.008 0.000 0.757 298 L CB -1.142 40.939 42.059 0.037 0.000 0.899 298 L HN 0.425 nan 8.230 nan 0.000 0.434 299 I N -0.411 120.195 120.570 0.059 0.000 2.500 299 I HA -0.161 4.010 4.170 0.001 0.000 0.252 299 I C 2.546 178.686 176.117 0.040 0.000 1.142 299 I CA 0.832 62.178 61.300 0.076 0.000 1.451 299 I CB -0.234 37.835 38.000 0.116 0.000 1.093 299 I HN 0.119 nan 8.210 nan 0.000 0.430 300 A N 1.148 123.969 122.820 0.002 0.000 2.066 300 A HA -0.093 4.227 4.320 0.001 0.000 0.218 300 A C 2.055 179.634 177.584 -0.009 0.000 1.157 300 A CA 1.079 53.101 52.037 -0.026 0.000 0.670 300 A CB -0.516 18.433 19.000 -0.086 0.000 0.804 300 A HN 0.585 nan 8.150 nan 0.000 0.453 301 M N -2.558 117.045 119.600 0.005 0.000 2.560 301 M HA 0.503 4.984 4.480 0.001 0.000 0.297 301 M C 0.784 177.104 176.300 0.034 0.000 1.201 301 M CA 0.257 55.574 55.300 0.028 0.000 0.973 301 M CB -0.185 32.436 32.600 0.035 0.000 1.401 301 M HN 0.379 nan 8.290 nan 0.000 0.497 302 G N 1.665 110.484 108.800 0.033 0.000 2.334 302 G HA2 -0.062 3.898 3.960 0.001 0.000 0.279 302 G HA3 -0.062 3.898 3.960 0.001 0.000 0.279 302 G C -0.074 174.848 174.900 0.036 0.000 0.918 302 G CA 0.320 45.443 45.100 0.038 0.000 1.314 302 G HN 1.041 nan 8.290 nan 0.000 0.463 303 A N 1.212 124.052 122.820 0.034 0.000 2.276 303 A HA 0.834 5.154 4.320 0.001 0.000 0.316 303 A C 0.688 178.285 177.584 0.021 0.000 1.229 303 A CA 0.385 52.437 52.037 0.025 0.000 0.851 303 A CB 0.896 19.903 19.000 0.012 0.000 1.165 303 A HN 1.974 nan 8.150 nan 0.000 0.513 304 S N 2.821 118.527 115.700 0.009 0.000 2.528 304 S HA 0.478 4.949 4.470 0.001 0.000 0.277 304 S C -0.043 174.536 174.600 -0.036 0.000 1.297 304 S CA -0.518 57.678 58.200 -0.007 0.000 1.052 304 S CB 0.629 63.823 63.200 -0.009 0.000 0.917 304 S HN 0.885 nan 8.310 nan 0.000 0.492 305 L N 2.897 124.079 121.223 -0.069 0.000 2.468 305 L HA 0.639 4.980 4.340 0.001 0.000 0.254 305 L C 0.003 176.788 176.870 -0.142 0.000 1.171 305 L CA 0.527 55.284 54.840 -0.139 0.000 0.809 305 L CB 1.416 43.322 42.059 -0.255 0.000 1.155 305 L HN 0.899 nan 8.230 nan 0.000 0.473 306 T N 3.599 118.048 114.554 -0.175 0.000 2.991 306 T HA 0.569 4.920 4.350 0.001 0.000 0.303 306 T C -0.696 173.873 174.700 -0.219 0.000 1.015 306 T CA -0.427 61.576 62.100 -0.161 0.000 1.007 306 T CB 0.996 69.795 68.868 -0.114 0.000 1.034 306 T HN 0.453 nan 8.240 nan 0.000 0.446 307 L N 2.263 123.353 121.223 -0.223 0.000 2.313 307 L HA 0.754 5.095 4.340 0.001 0.000 0.268 307 L C 0.287 176.950 176.870 -0.346 0.000 1.010 307 L CA -1.168 53.505 54.840 -0.277 0.000 0.814 307 L CB 1.475 43.422 42.059 -0.188 0.000 1.304 307 L HN 0.314 nan 8.230 nan 0.000 0.441 308 R N 0.680 120.849 120.500 -0.552 0.000 2.510 308 R HA 0.300 4.641 4.340 0.001 0.000 0.294 308 R C -0.780 175.317 176.300 -0.338 0.000 1.056 308 R CA -0.637 55.126 56.100 -0.562 0.000 0.918 308 R CB 2.035 31.786 30.300 -0.915 0.000 1.187 308 R HN 0.504 nan 8.270 nan 0.000 0.437 309 R N 2.434 122.869 120.500 -0.108 0.000 3.472 309 R HA 0.228 4.568 4.340 0.001 0.000 0.322 309 R C 0.306 176.633 176.300 0.045 0.000 1.330 309 R CA 0.703 56.811 56.100 0.013 0.000 1.387 309 R CB 0.295 30.593 30.300 -0.004 0.000 1.446 309 R HN 1.005 nan 8.270 nan 0.000 0.628 310 G N 1.286 110.154 108.800 0.114 0.000 3.076 310 G HA2 -0.341 3.619 3.960 0.001 0.000 0.256 310 G HA3 -0.341 3.619 3.960 0.001 0.000 0.256 310 G C 0.308 175.258 174.900 0.083 0.000 1.589 310 G CA 0.063 45.236 45.100 0.121 0.000 1.044 310 G HN 0.426 nan 8.290 nan 0.000 0.563 311 Q N 1.964 121.790 119.800 0.042 0.000 2.280 311 Q HA 0.325 4.665 4.340 0.001 0.000 0.201 311 Q C 0.405 176.403 176.000 -0.003 0.000 0.890 311 Q CA 0.379 56.197 55.803 0.025 0.000 0.947 311 Q CB 0.132 28.884 28.738 0.024 0.000 1.081 311 Q HN 0.599 nan 8.270 nan 0.000 0.502 312 E N 0.568 120.758 120.200 -0.017 0.000 2.343 312 E HA 0.281 4.631 4.350 0.001 0.000 0.269 312 E C -0.488 176.071 176.600 -0.068 0.000 1.047 312 E CA -0.147 56.231 56.400 -0.036 0.000 0.874 312 E CB 0.986 30.666 29.700 -0.034 0.000 1.033 312 E HN 0.070 nan 8.360 nan 0.000 0.409 313 R N 2.348 122.811 120.500 -0.061 0.000 2.521 313 R HA 0.298 4.638 4.340 0.001 0.000 0.295 313 R C -0.288 175.973 176.300 -0.066 0.000 1.183 313 R CA -0.466 55.587 56.100 -0.079 0.000 0.957 313 R CB 1.554 31.815 30.300 -0.064 0.000 1.171 313 R HN 0.269 nan 8.270 nan 0.000 0.494 314 R N 1.195 121.648 120.500 -0.077 0.000 2.500 314 R HA 0.417 4.757 4.340 0.001 0.000 0.277 314 R C 0.183 176.441 176.300 -0.069 0.000 1.026 314 R CA -0.556 55.509 56.100 -0.059 0.000 1.058 314 R CB 1.430 31.701 30.300 -0.048 0.000 1.078 314 R HN 0.263 nan 8.270 nan 0.000 0.509 315 R N 3.296 123.766 120.500 -0.050 0.000 2.818 315 R HA 0.174 4.515 4.340 0.001 0.000 0.258 315 R C -0.830 175.451 176.300 -0.032 0.000 1.797 315 R CA -0.206 55.864 56.100 -0.051 0.000 1.532 315 R CB 0.656 30.930 30.300 -0.043 0.000 1.413 315 R HN 0.645 nan 8.270 nan 0.000 0.622 316 M N 0.992 120.573 119.600 -0.032 0.000 2.444 316 M HA 0.679 5.159 4.480 0.001 0.000 0.319 316 M C -2.422 173.878 176.300 0.000 0.000 1.183 316 M CA -2.034 53.263 55.300 -0.004 0.000 1.032 316 M CB 1.563 34.174 32.600 0.018 0.000 1.569 316 M HN -0.008 nan 8.290 nan 0.000 0.468 317 P HA -0.005 nan 4.420 nan 0.000 0.268 317 P C 0.451 177.791 177.300 0.067 0.000 1.205 317 P CA -0.187 62.938 63.100 0.041 0.000 0.771 317 P CB 0.655 32.386 31.700 0.051 0.000 0.858 318 L N 3.609 124.880 121.223 0.081 0.000 2.127 318 L HA -0.220 4.121 4.340 0.001 0.000 0.211 318 L C 2.370 179.390 176.870 0.251 0.000 1.089 318 L CA 1.861 56.779 54.840 0.129 0.000 0.757 318 L CB -1.058 41.101 42.059 0.167 0.000 0.899 318 L HN 0.442 nan 8.230 nan 0.000 0.434 319 E N -1.317 119.032 120.200 0.248 0.000 2.160 319 E HA -0.275 4.076 4.350 0.001 0.000 0.195 319 E C 1.325 178.073 176.600 0.247 0.000 0.991 319 E CA 1.665 58.242 56.400 0.295 0.000 0.810 319 E CB -0.708 29.112 29.700 0.199 0.000 0.742 319 E HN 0.510 nan 8.360 nan 0.000 0.466 320 D N 0.226 120.721 120.400 0.159 0.000 2.269 320 D HA -0.070 4.571 4.640 0.001 0.000 0.208 320 D C 1.486 177.844 176.300 0.097 0.000 0.963 320 D CA 0.441 54.510 54.000 0.114 0.000 0.864 320 D CB -0.474 40.376 40.800 0.083 0.000 0.936 320 D HN 0.182 nan 8.370 nan 0.000 0.505 321 F N 0.773 120.642 119.950 -0.136 0.000 2.186 321 F HA -0.001 4.526 4.527 0.001 0.000 0.299 321 F C 0.274 175.860 175.800 -0.357 0.000 1.090 321 F CA 0.522 58.321 58.000 -0.335 0.000 1.307 321 F CB -0.247 38.399 39.000 -0.591 0.000 1.019 321 F HN -0.256 nan 8.300 nan 0.000 0.489 322 F N 1.910 121.833 119.950 -0.045 0.000 2.375 322 F HA 0.263 4.791 4.527 0.001 0.000 0.362 322 F C 0.875 176.648 175.800 -0.046 0.000 1.129 322 F CA -0.695 57.231 58.000 -0.122 0.000 1.154 322 F CB 0.430 39.436 39.000 0.010 0.000 1.205 322 F HN -0.126 nan 8.300 nan 0.000 0.513 323 L N -0.489 120.764 121.223 0.050 0.000 2.208 323 L HA 0.427 4.767 4.340 0.001 0.000 0.196 323 L C 0.675 177.597 176.870 0.086 0.000 1.130 323 L CA 0.226 55.100 54.840 0.056 0.000 0.791 323 L CB -0.412 41.651 42.059 0.005 0.000 0.969 323 L HN 0.369 nan 8.230 nan 0.000 0.468 324 E N -1.485 118.757 120.200 0.070 0.000 2.303 324 E HA 0.246 4.596 4.350 0.001 0.000 0.254 324 E C -1.415 175.276 176.600 0.152 0.000 0.979 324 E CA -1.085 55.375 56.400 0.099 0.000 0.843 324 E CB 1.177 30.916 29.700 0.064 0.000 1.245 324 E HN 0.127 nan 8.360 nan 0.000 0.413 325 Y N 1.563 121.884 120.300 0.035 0.000 2.511 325 Y HA 0.053 4.603 4.550 0.001 0.000 0.332 325 Y C 0.549 176.468 175.900 0.031 0.000 1.177 325 Y CA 0.569 58.689 58.100 0.034 0.000 1.422 325 Y CB 0.292 38.767 38.460 0.026 0.000 1.271 325 Y HN 0.695 nan 8.280 nan 0.000 0.550 326 R N 0.994 121.174 120.500 -0.534 0.000 4.024 326 R HA -0.290 4.051 4.340 0.001 0.000 0.391 326 R C -0.413 175.779 176.300 -0.180 0.000 1.157 326 R CA 1.690 57.517 56.100 -0.456 0.000 1.215 326 R CB -1.119 28.813 30.300 -0.614 0.000 1.738 326 R HN 0.599 nan 8.270 nan 0.000 0.566 327 K N 1.123 121.463 120.400 -0.101 0.000 2.450 327 K HA 0.298 4.618 4.320 0.001 0.000 0.257 327 K C -0.856 175.681 176.600 -0.106 0.000 0.953 327 K CA -0.480 55.762 56.287 -0.075 0.000 0.844 327 K CB 1.294 33.768 32.500 -0.043 0.000 1.103 327 K HN -0.118 nan 8.250 nan 0.000 0.429 328 Q N 1.083 120.777 119.800 -0.177 0.000 2.445 328 Q HA 0.210 4.551 4.340 0.001 0.000 0.281 328 Q C -0.834 174.983 176.000 -0.306 0.000 1.101 328 Q CA -0.641 54.909 55.803 -0.421 0.000 0.833 328 Q CB 1.542 29.862 28.738 -0.696 0.000 1.416 328 Q HN 0.478 nan 8.270 nan 0.000 0.451 329 D N 0.875 121.037 120.400 -0.397 0.000 2.841 329 D HA -0.005 4.636 4.640 0.001 0.000 0.244 329 D C -0.571 175.816 176.300 0.145 0.000 1.228 329 D CA 0.061 54.034 54.000 -0.046 0.000 0.872 329 D CB 0.089 40.923 40.800 0.056 0.000 1.082 329 D HN 0.245 nan 8.370 nan 0.000 0.457 330 R N 0.772 121.344 120.500 0.120 0.000 2.308 330 R HA 0.326 4.667 4.340 0.001 0.000 0.305 330 R C -0.200 176.165 176.300 0.107 0.000 1.053 330 R CA -0.580 55.635 56.100 0.192 0.000 0.957 330 R CB 0.950 31.380 30.300 0.217 0.000 1.022 330 R HN -0.048 nan 8.270 nan 0.000 0.461 331 R N 4.121 124.682 120.500 0.101 0.000 2.540 331 R HA 0.371 4.711 4.340 0.001 0.000 0.287 331 R C -2.303 174.024 176.300 0.046 0.000 0.980 331 R CA -2.140 53.991 56.100 0.053 0.000 0.966 331 R CB 1.458 31.777 30.300 0.032 0.000 1.106 331 R HN 0.456 nan 8.270 nan 0.000 0.480 332 P HA 0.060 nan 4.420 nan 0.000 0.258 332 P C -0.050 177.176 177.300 -0.122 0.000 1.214 332 P CA 0.963 64.030 63.100 -0.054 0.000 0.872 332 P CB 0.593 32.253 31.700 -0.067 0.000 0.890 333 G N 2.178 110.848 108.800 -0.216 0.000 2.211 333 G HA2 -0.196 3.764 3.960 0.001 0.000 0.201 333 G HA3 -0.196 3.764 3.960 0.001 0.000 0.201 333 G C 0.072 175.039 174.900 0.111 0.000 0.997 333 G CA -0.504 44.401 45.100 -0.325 0.000 0.652 333 G HN 0.521 nan 8.290 nan 0.000 0.500 334 E N 0.108 120.441 120.200 0.222 0.000 2.301 334 E HA 0.648 4.999 4.350 0.001 0.000 0.275 334 E C -0.168 176.718 176.600 0.475 0.000 1.030 334 E CA -0.893 55.657 56.400 0.250 0.000 0.852 334 E CB 0.509 30.278 29.700 0.115 0.000 1.060 334 E HN 0.520 nan 8.360 nan 0.000 0.401 335 F N 0.387 120.463 119.950 0.210 0.000 2.626 335 F HA 0.494 5.022 4.527 0.001 0.000 0.311 335 F C -1.219 174.581 175.800 -0.000 0.000 1.088 335 F CA -1.407 56.651 58.000 0.097 0.000 0.949 335 F CB 0.481 39.470 39.000 -0.019 0.000 1.322 335 F HN 0.048 nan 8.300 nan 0.000 0.461 336 V N 2.473 122.451 119.914 0.106 0.000 2.479 336 V HA 0.058 4.179 4.120 0.001 0.000 0.281 336 V C 0.707 176.839 176.094 0.063 0.000 1.031 336 V CA 0.442 62.708 62.300 -0.056 0.000 1.038 336 V CB 0.773 32.539 31.823 -0.094 0.000 0.981 336 V HN 1.045 nan 8.190 nan 0.000 0.478 337 E N 2.999 123.146 120.200 -0.089 0.000 2.152 337 E HA 0.109 4.460 4.350 0.001 0.000 0.195 337 E C 0.597 177.191 176.600 -0.010 0.000 0.934 337 E CA 0.830 57.225 56.400 -0.007 0.000 0.869 337 E CB 0.859 30.474 29.700 -0.142 0.000 0.842 337 E HN 0.835 nan 8.360 nan 0.000 0.472 338 S N -0.537 115.124 115.700 -0.065 0.000 2.615 338 S HA 0.537 5.008 4.470 0.001 0.000 0.269 338 S C -0.663 173.893 174.600 -0.074 0.000 1.161 338 S CA -0.601 57.566 58.200 -0.056 0.000 0.817 338 S CB 1.754 64.929 63.200 -0.042 0.000 1.131 338 S HN 0.131 nan 8.310 nan 0.000 0.467 339 V N -1.672 118.210 119.914 -0.054 0.000 3.001 339 V HA 0.966 5.087 4.120 0.001 0.000 0.314 339 V C -0.877 175.207 176.094 -0.016 0.000 1.099 339 V CA -0.667 61.606 62.300 -0.045 0.000 0.989 339 V CB 1.520 33.320 31.823 -0.038 0.000 1.040 339 V HN 1.092 nan 8.190 nan 0.000 0.434 340 T N 4.391 118.943 114.554 -0.003 0.000 2.906 340 T HA 0.711 5.061 4.350 0.001 0.000 0.302 340 T C -0.609 174.116 174.700 0.042 0.000 1.002 340 T CA -0.326 61.789 62.100 0.024 0.000 0.988 340 T CB 0.855 69.728 68.868 0.009 0.000 0.972 340 T HN 0.998 nan 8.240 nan 0.000 0.447 341 L N 1.713 122.987 121.223 0.085 0.000 2.333 341 L HA 0.741 5.082 4.340 0.001 0.000 0.280 341 L C -2.710 174.257 176.870 0.162 0.000 1.004 341 L CA -2.624 52.269 54.840 0.088 0.000 0.820 341 L CB 1.030 43.102 42.059 0.021 0.000 1.247 341 L HN 0.210 nan 8.230 nan 0.000 0.416 342 P HA 0.067 nan 4.420 nan 0.000 0.268 342 P C 0.106 177.538 177.300 0.221 0.000 1.208 342 P CA -0.330 62.846 63.100 0.126 0.000 0.777 342 P CB 0.832 32.584 31.700 0.087 0.000 0.875 343 K N 0.460 120.933 120.400 0.121 0.000 1.990 343 K HA -0.124 4.196 4.320 0.001 0.000 0.225 343 K C 1.171 177.859 176.600 0.148 0.000 1.053 343 K CA 1.637 58.004 56.287 0.134 0.000 0.982 343 K CB -1.043 31.455 32.500 -0.004 0.000 0.734 343 K HN 0.451 nan 8.250 nan 0.000 0.448 344 S N -1.321 114.395 115.700 0.027 0.000 2.578 344 S HA 0.563 5.034 4.470 0.001 0.000 0.301 344 S C -1.103 173.464 174.600 -0.055 0.000 1.091 344 S CA -0.381 57.757 58.200 -0.102 0.000 1.032 344 S CB 1.696 64.848 63.200 -0.080 0.000 1.064 344 S HN 0.339 nan 8.310 nan 0.000 0.508 345 A N 4.651 127.386 122.820 -0.142 0.000 3.415 345 A HA 0.453 4.773 4.320 0.001 0.000 0.244 345 A C -1.926 175.639 177.584 -0.031 0.000 0.988 345 A CA -0.794 51.243 52.037 -0.001 0.000 0.991 345 A CB 0.384 19.496 19.000 0.186 0.000 1.240 345 A HN 0.633 nan 8.150 nan 0.000 0.541 346 P HA -0.125 nan 4.420 nan 0.000 0.221 346 P C 1.337 178.635 177.300 -0.004 0.000 1.145 346 P CA 1.916 64.988 63.100 -0.047 0.000 0.795 346 P CB 0.077 31.749 31.700 -0.047 0.000 0.775 347 G N -0.084 108.730 108.800 0.024 0.000 2.985 347 G HA2 0.172 4.132 3.960 0.001 0.000 0.209 347 G HA3 0.172 4.132 3.960 0.001 0.000 0.209 347 G C 0.622 175.624 174.900 0.171 0.000 1.165 347 G CA -0.271 44.880 45.100 0.085 0.000 0.776 347 G HN 0.361 nan 8.290 nan 0.000 0.541 348 L N -0.961 120.321 121.223 0.100 0.000 2.371 348 L HA 0.907 5.248 4.340 0.001 0.000 0.272 348 L C -0.306 176.608 176.870 0.073 0.000 1.124 348 L CA -1.021 53.866 54.840 0.078 0.000 0.816 348 L CB 1.178 43.275 42.059 0.063 0.000 1.129 348 L HN -0.105 nan 8.230 nan 0.000 0.448 349 R N 2.660 123.159 120.500 -0.001 0.000 2.698 349 R HA 0.695 5.036 4.340 0.001 0.000 0.275 349 R C -1.794 174.262 176.300 -0.407 0.000 1.001 349 R CA -0.250 55.759 56.100 -0.151 0.000 0.896 349 R CB 2.053 32.325 30.300 -0.045 0.000 1.218 349 R HN 0.924 nan 8.270 nan 0.000 0.462 350 C N 2.571 121.597 119.300 -0.458 0.000 2.396 350 C HA 0.528 4.989 4.460 0.001 0.000 0.321 350 C C -1.219 173.557 174.990 -0.358 0.000 1.233 350 C CA -1.085 57.703 59.018 -0.384 0.000 1.440 350 C CB 0.350 28.001 27.740 -0.148 0.000 2.110 350 C HN 0.761 nan 8.230 nan 0.000 0.473 351 Y N 1.437 121.730 120.300 -0.011 0.000 2.388 351 Y HA 0.445 4.996 4.550 0.001 0.000 0.328 351 Y C 0.351 176.260 175.900 0.015 0.000 0.963 351 Y CA -0.601 57.508 58.100 0.016 0.000 1.240 351 Y CB 0.988 39.465 38.460 0.027 0.000 1.118 351 Y HN 0.608 nan 8.280 nan 0.000 0.484 352 K N 3.791 124.303 120.400 0.187 0.000 2.172 352 K HA 0.594 4.915 4.320 0.001 0.000 0.276 352 K C -1.612 175.080 176.600 0.153 0.000 1.013 352 K CA -0.768 55.599 56.287 0.133 0.000 0.913 352 K CB 0.984 33.551 32.500 0.110 0.000 1.055 352 K HN 0.645 nan 8.250 nan 0.000 0.461 353 L N 3.419 124.706 121.223 0.107 0.000 2.406 353 L HA 0.504 4.845 4.340 0.001 0.000 0.272 353 L C -1.562 175.348 176.870 0.068 0.000 0.980 353 L CA 0.169 55.066 54.840 0.096 0.000 0.831 353 L CB 1.833 43.926 42.059 0.058 0.000 1.253 353 L HN 0.813 nan 8.230 nan 0.000 0.406 354 S N 2.371 118.103 115.700 0.053 0.000 2.588 354 S HA 0.475 4.946 4.470 0.001 0.000 0.269 354 S C 0.422 174.995 174.600 -0.045 0.000 1.157 354 S CA -0.971 57.240 58.200 0.018 0.000 0.824 354 S CB 1.602 64.807 63.200 0.009 0.000 1.126 354 S HN 0.629 nan 8.310 nan 0.000 0.464 355 K N 0.297 120.670 120.400 -0.046 0.000 2.052 355 K HA -0.144 4.177 4.320 0.001 0.000 0.215 355 K C 0.947 177.439 176.600 -0.180 0.000 1.053 355 K CA 1.527 57.758 56.287 -0.094 0.000 0.934 355 K CB -0.116 32.345 32.500 -0.065 0.000 0.717 355 K HN 0.529 nan 8.250 nan 0.000 0.450 356 R N -0.568 119.838 120.500 -0.156 0.000 2.711 356 R HA 0.190 4.531 4.340 0.001 0.000 0.284 356 R C 0.640 176.851 176.300 -0.148 0.000 0.968 356 R CA -0.431 55.549 56.100 -0.200 0.000 0.924 356 R CB 0.879 31.132 30.300 -0.078 0.000 1.162 356 R HN -0.099 nan 8.270 nan 0.000 0.465 357 F N 0.603 120.562 119.950 0.014 0.000 2.014 357 F HA -0.140 4.387 4.527 0.001 0.000 0.295 357 F C 0.745 176.548 175.800 0.005 0.000 1.145 357 F CA 0.778 58.786 58.000 0.014 0.000 1.178 357 F CB 0.005 39.013 39.000 0.014 0.000 0.972 357 F HN 0.440 nan 8.300 nan 0.000 0.476 358 D N 0.899 121.425 120.400 0.209 0.000 2.350 358 D HA 0.059 4.700 4.640 0.001 0.000 0.249 358 D C -0.151 176.180 176.300 0.051 0.000 1.119 358 D CA 0.050 54.112 54.000 0.102 0.000 0.886 358 D CB 0.606 41.445 40.800 0.066 0.000 1.195 358 D HN 0.104 nan 8.370 nan 0.000 0.437 359 Q N 1.138 120.955 119.800 0.028 0.000 2.420 359 Q HA -0.253 4.088 4.340 0.001 0.000 0.367 359 Q C -1.386 174.608 176.000 -0.010 0.000 1.369 359 Q CA 0.747 56.548 55.803 -0.003 0.000 1.080 359 Q CB -0.453 28.285 28.738 -0.001 0.000 1.223 359 Q HN 0.495 nan 8.270 nan 0.000 0.315 360 D N 1.259 121.645 120.400 -0.024 0.000 2.609 360 D HA 0.414 5.055 4.640 0.001 0.000 0.239 360 D C -1.055 175.214 176.300 -0.051 0.000 1.229 360 D CA -0.685 53.298 54.000 -0.027 0.000 0.808 360 D CB 1.090 41.883 40.800 -0.013 0.000 1.448 360 D HN 0.255 nan 8.370 nan 0.000 0.433 361 I N 1.723 122.266 120.570 -0.046 0.000 2.452 361 I HA 0.150 4.321 4.170 0.001 0.000 0.287 361 I C 0.652 176.750 176.117 -0.032 0.000 1.079 361 I CA -0.078 61.191 61.300 -0.052 0.000 1.387 361 I CB 0.756 38.734 38.000 -0.036 0.000 1.404 361 I HN 0.226 nan 8.210 nan 0.000 0.522 362 S N 4.831 120.510 115.700 -0.034 0.000 2.510 362 S HA 0.375 4.846 4.470 0.001 0.000 0.279 362 S C 1.124 175.718 174.600 -0.011 0.000 1.284 362 S CA -0.330 57.864 58.200 -0.009 0.000 1.059 362 S CB 1.406 64.605 63.200 -0.001 0.000 0.901 362 S HN 0.749 nan 8.310 nan 0.000 0.491 363 A N 3.800 126.622 122.820 0.003 0.000 1.898 363 A HA 0.330 4.650 4.320 0.001 0.000 0.214 363 A C 0.701 178.261 177.584 -0.039 0.000 1.183 363 A CA 0.663 52.695 52.037 -0.009 0.000 0.622 363 A CB -0.260 18.760 19.000 0.033 0.000 0.824 363 A HN 0.853 nan 8.150 nan 0.000 0.444 364 V N -1.403 118.496 119.914 -0.025 0.000 2.638 364 V HA 0.425 4.546 4.120 0.001 0.000 0.306 364 V C -0.922 175.207 176.094 0.059 0.000 1.052 364 V CA -0.933 61.366 62.300 -0.000 0.000 0.885 364 V CB 1.017 32.819 31.823 -0.035 0.000 0.999 364 V HN 0.280 nan 8.190 nan 0.000 0.424 365 C N 4.215 123.565 119.300 0.083 0.000 2.321 365 C HA 0.802 5.263 4.460 0.001 0.000 0.323 365 C C 0.788 175.721 174.990 -0.095 0.000 1.191 365 C CA -0.190 58.843 59.018 0.025 0.000 1.455 365 C CB -0.427 27.308 27.740 -0.008 0.000 2.083 365 C HN 1.153 nan 8.230 nan 0.000 0.442 366 G N 4.798 113.521 108.800 -0.128 0.000 2.377 366 G HA2 0.527 4.487 3.960 0.001 0.000 0.316 366 G HA3 0.527 4.487 3.960 0.001 0.000 0.316 366 G C -0.539 174.095 174.900 -0.442 0.000 1.115 366 G CA -0.096 44.710 45.100 -0.490 0.000 0.952 366 G HN 0.862 nan 8.290 nan 0.000 0.441 367 C N 3.556 122.509 119.300 -0.580 0.000 2.301 367 C HA 0.652 5.113 4.460 0.001 0.000 0.323 367 C C -0.214 174.540 174.990 -0.393 0.000 1.265 367 C CA -0.633 58.142 59.018 -0.406 0.000 1.503 367 C CB -0.394 27.186 27.740 -0.267 0.000 2.195 367 C HN 0.612 nan 8.230 nan 0.000 0.477 368 L N 4.096 125.062 121.223 -0.429 0.000 2.386 368 L HA 0.645 4.985 4.340 0.001 0.000 0.271 368 L C -0.284 176.287 176.870 -0.498 0.000 0.993 368 L CA -0.055 54.450 54.840 -0.559 0.000 0.819 368 L CB 1.459 42.944 42.059 -0.958 0.000 1.294 368 L HN 0.599 nan 8.230 nan 0.000 0.414 369 N N 2.879 121.385 118.700 -0.323 0.000 2.747 369 N HA 0.495 5.235 4.740 0.001 0.000 0.262 369 N C -1.849 173.636 175.510 -0.042 0.000 1.261 369 N CA -0.286 52.715 53.050 -0.081 0.000 0.809 369 N CB 0.683 39.148 38.487 -0.036 0.000 1.450 369 N HN 0.501 nan 8.380 nan 0.000 0.560 370 L N 0.623 121.860 121.223 0.024 0.000 2.304 370 L HA 0.736 5.076 4.340 0.001 0.000 0.268 370 L C 0.463 177.296 176.870 -0.061 0.000 1.010 370 L CA -1.026 53.794 54.840 -0.034 0.000 0.813 370 L CB 1.784 43.798 42.059 -0.074 0.000 1.315 370 L HN 0.410 nan 8.230 nan 0.000 0.445 371 T N -0.745 113.756 114.554 -0.088 0.000 2.940 371 T HA 0.735 5.085 4.350 0.001 0.000 0.288 371 T C -0.299 174.312 174.700 -0.148 0.000 1.033 371 T CA -0.788 61.253 62.100 -0.098 0.000 1.033 371 T CB 1.939 70.772 68.868 -0.058 0.000 1.079 371 T HN 0.301 nan 8.240 nan 0.000 0.496 372 L N 0.664 121.804 121.223 -0.138 0.000 2.331 372 L HA 0.713 5.054 4.340 0.001 0.000 0.268 372 L C 0.198 177.030 176.870 -0.063 0.000 1.015 372 L CA -1.143 53.622 54.840 -0.124 0.000 0.807 372 L CB 1.555 43.536 42.059 -0.129 0.000 1.293 372 L HN 0.588 nan 8.230 nan 0.000 0.451 373 K N 0.099 120.476 120.400 -0.039 0.000 3.350 373 K HA 0.450 4.770 4.320 0.001 0.000 0.181 373 K C -0.065 176.531 176.600 -0.007 0.000 1.064 373 K CA 0.603 56.878 56.287 -0.021 0.000 0.839 373 K CB 0.487 32.977 32.500 -0.017 0.000 0.819 373 K HN 0.801 nan 8.250 nan 0.000 0.523 374 G N -0.124 108.673 108.800 -0.005 0.000 4.240 374 G HA2 -0.339 3.621 3.960 0.001 0.000 0.254 374 G HA3 -0.339 3.621 3.960 0.001 0.000 0.254 374 G C 0.674 175.591 174.900 0.029 0.000 1.712 374 G CA 0.549 45.655 45.100 0.011 0.000 1.374 374 G HN 0.710 nan 8.290 nan 0.000 0.631 375 S N -0.129 115.594 115.700 0.039 0.000 2.653 375 S HA 0.381 4.852 4.470 0.001 0.000 0.259 375 S C 0.540 175.191 174.600 0.084 0.000 1.076 375 S CA 0.603 58.850 58.200 0.078 0.000 1.051 375 S CB 0.478 63.723 63.200 0.074 0.000 0.994 375 S HN 0.545 nan 8.310 nan 0.000 0.552 376 K N 2.089 122.515 120.400 0.043 0.000 2.322 376 K HA 0.369 4.689 4.320 0.001 0.000 0.283 376 K C -0.330 176.273 176.600 0.005 0.000 1.042 376 K CA -0.178 56.129 56.287 0.033 0.000 0.958 376 K CB 0.841 33.352 32.500 0.017 0.000 0.984 376 K HN 0.412 nan 8.250 nan 0.000 0.473 377 I N 3.769 124.347 120.570 0.013 0.000 2.517 377 I HA -0.082 4.089 4.170 0.001 0.000 0.285 377 I C 1.700 177.797 176.117 -0.034 0.000 1.106 377 I CA 0.209 61.490 61.300 -0.031 0.000 1.402 377 I CB 0.511 38.516 38.000 0.008 0.000 1.399 377 I HN 0.519 nan 8.210 nan 0.000 0.535 378 E N 3.710 123.878 120.200 -0.053 0.000 2.046 378 E HA 0.092 4.442 4.350 0.001 0.000 0.199 378 E C 0.136 176.716 176.600 -0.033 0.000 0.948 378 E CA 0.878 57.256 56.400 -0.037 0.000 0.876 378 E CB 0.191 29.867 29.700 -0.039 0.000 0.901 378 E HN 0.500 nan 8.360 nan 0.000 0.479 379 T N 1.538 116.070 114.554 -0.037 0.000 2.788 379 T HA 0.530 4.881 4.350 0.001 0.000 0.296 379 T C -0.591 174.090 174.700 -0.032 0.000 1.009 379 T CA -0.413 61.671 62.100 -0.027 0.000 0.949 379 T CB 1.353 70.210 68.868 -0.017 0.000 0.946 379 T HN 0.206 nan 8.240 nan 0.000 0.453 380 A N 4.026 126.829 122.820 -0.029 0.000 2.274 380 A HA 0.657 4.977 4.320 0.001 0.000 0.309 380 A C 0.316 177.891 177.584 -0.015 0.000 1.226 380 A CA -0.688 51.330 52.037 -0.032 0.000 0.853 380 A CB 0.502 19.475 19.000 -0.044 0.000 1.146 380 A HN 0.719 nan 8.150 nan 0.000 0.518 381 R N 3.042 123.526 120.500 -0.026 0.000 2.443 381 R HA 0.334 4.675 4.340 0.001 0.000 0.287 381 R C -1.534 174.745 176.300 -0.035 0.000 1.425 381 R CA -0.145 55.948 56.100 -0.012 0.000 1.300 381 R CB 0.769 31.063 30.300 -0.010 0.000 1.129 381 R HN 0.729 nan 8.270 nan 0.000 0.577 382 I N 1.906 122.490 120.570 0.023 0.000 2.330 382 I HA 0.438 4.608 4.170 0.001 0.000 0.289 382 I C 0.118 176.291 176.117 0.093 0.000 1.001 382 I CA -0.357 60.968 61.300 0.040 0.000 1.193 382 I CB 1.841 39.981 38.000 0.234 0.000 1.345 382 I HN 0.349 nan 8.210 nan 0.000 0.461 383 A N 6.288 129.066 122.820 -0.071 0.000 2.435 383 A HA 0.898 5.219 4.320 0.001 0.000 0.304 383 A C -1.328 176.110 177.584 -0.244 0.000 1.064 383 A CA -0.398 51.640 52.037 0.001 0.000 0.727 383 A CB 1.061 20.064 19.000 0.005 0.000 1.284 383 A HN 0.501 nan 8.150 nan 0.000 0.415 384 F N 0.274 120.229 119.950 0.009 0.000 2.565 384 F HA 0.629 5.157 4.527 0.001 0.000 0.313 384 F C 0.780 176.481 175.800 -0.166 0.000 1.091 384 F CA -0.241 57.673 58.000 -0.144 0.000 0.915 384 F CB 2.819 41.576 39.000 -0.405 0.000 1.208 384 F HN 0.761 nan 8.300 nan 0.000 0.453 385 G N 0.186 109.006 108.800 0.032 0.000 2.379 385 G HA2 0.474 4.435 3.960 0.001 0.000 0.327 385 G HA3 0.474 4.435 3.960 0.001 0.000 0.327 385 G C 0.541 175.407 174.900 -0.056 0.000 1.145 385 G CA -0.221 44.860 45.100 -0.032 0.000 0.905 385 G HN 1.272 nan 8.290 nan 0.000 0.466 386 G N 1.425 110.166 108.800 -0.098 0.000 2.179 386 G HA2 -0.293 3.667 3.960 0.001 0.000 0.260 386 G HA3 -0.293 3.667 3.960 0.001 0.000 0.260 386 G C 1.241 176.032 174.900 -0.183 0.000 0.977 386 G CA 0.868 45.897 45.100 -0.118 0.000 0.641 386 G HN 0.489 nan 8.290 nan 0.000 0.533 387 M N -0.033 119.386 119.600 -0.302 0.000 2.357 387 M HA 0.495 4.976 4.480 0.001 0.000 0.266 387 M C 1.334 177.480 176.300 -0.257 0.000 1.095 387 M CA 1.560 56.560 55.300 -0.499 0.000 1.156 387 M CB -0.532 31.300 32.600 -1.279 0.000 1.365 387 M HN 0.970 nan 8.290 nan 0.000 0.447 388 A N -1.277 121.478 122.820 -0.108 0.000 2.539 388 A HA 0.672 4.992 4.320 0.001 0.000 0.296 388 A C 0.648 178.219 177.584 -0.022 0.000 1.073 388 A CA -0.336 51.730 52.037 0.047 0.000 0.700 388 A CB 0.458 19.620 19.000 0.271 0.000 1.296 388 A HN 0.355 nan 8.150 nan 0.000 0.405 389 G N -0.197 108.560 108.800 -0.072 0.000 3.272 389 G HA2 0.405 4.366 3.960 0.001 0.000 0.220 389 G HA3 0.405 4.366 3.960 0.001 0.000 0.220 389 G C -0.017 174.868 174.900 -0.025 0.000 1.130 389 G CA 1.138 46.126 45.100 -0.187 0.000 1.657 389 G HN 1.696 nan 8.290 nan 0.000 0.557 390 V N -0.244 119.677 119.914 0.012 0.000 2.963 390 V HA 0.334 4.454 4.120 0.001 0.000 0.272 390 V C -2.578 173.507 176.094 -0.014 0.000 1.559 390 V CA -1.690 60.633 62.300 0.038 0.000 0.959 390 V CB 2.959 34.855 31.823 0.123 0.000 1.202 390 V HN 0.102 nan 8.190 nan 0.000 0.447 391 P HA 0.277 nan 4.420 nan 0.000 0.268 391 P C -1.282 176.036 177.300 0.029 0.000 1.282 391 P CA 0.092 63.113 63.100 -0.132 0.000 0.880 391 P CB -0.009 31.474 31.700 -0.361 0.000 0.971 392 K N 3.209 123.712 120.400 0.172 0.000 2.385 392 K HA 0.576 4.896 4.320 0.001 0.000 0.248 392 K C -0.225 176.573 176.600 0.331 0.000 0.955 392 K CA -1.273 55.163 56.287 0.248 0.000 0.816 392 K CB 2.015 34.665 32.500 0.249 0.000 1.250 392 K HN 0.181 nan 8.250 nan 0.000 0.434 393 R N 0.943 121.592 120.500 0.248 0.000 2.438 393 R HA 0.400 4.741 4.340 0.001 0.000 0.287 393 R C -0.429 176.015 176.300 0.240 0.000 1.077 393 R CA -0.587 55.661 56.100 0.246 0.000 1.034 393 R CB 0.734 31.127 30.300 0.155 0.000 0.993 393 R HN 0.634 nan 8.270 nan 0.000 0.459 394 A N 2.553 125.574 122.820 0.334 0.000 2.437 394 A HA 0.401 4.722 4.320 0.001 0.000 0.303 394 A C 1.106 178.768 177.584 0.130 0.000 1.324 394 A CA -0.121 52.038 52.037 0.203 0.000 0.983 394 A CB 0.276 19.566 19.000 0.482 0.000 1.142 394 A HN 0.973 nan 8.150 nan 0.000 0.541 395 A N 3.101 125.928 122.820 0.011 0.000 1.854 395 A HA 0.223 4.544 4.320 0.001 0.000 0.214 395 A C 2.370 179.974 177.584 0.034 0.000 1.192 395 A CA 1.759 53.809 52.037 0.022 0.000 0.611 395 A CB -0.864 18.130 19.000 -0.010 0.000 0.832 395 A HN 1.415 nan 8.150 nan 0.000 0.442 396 A N -1.304 121.527 122.820 0.018 0.000 1.902 396 A HA -0.051 4.270 4.320 0.001 0.000 0.217 396 A C 2.055 179.707 177.584 0.114 0.000 1.181 396 A CA 1.688 53.750 52.037 0.041 0.000 0.623 396 A CB -0.719 18.289 19.000 0.014 0.000 0.818 396 A HN 0.627 nan 8.150 nan 0.000 0.443 397 F N 0.566 120.517 119.950 0.002 0.000 2.146 397 F HA -0.083 4.444 4.527 0.001 0.000 0.298 397 F C 2.157 177.992 175.800 0.059 0.000 1.096 397 F CA 1.942 59.970 58.000 0.045 0.000 1.275 397 F CB -0.282 38.770 39.000 0.086 0.000 1.008 397 F HN 0.399 nan 8.300 nan 0.000 0.480 398 E N -0.240 119.987 120.200 0.045 0.000 2.072 398 E HA -0.149 4.202 4.350 0.001 0.000 0.191 398 E C 2.270 178.827 176.600 -0.071 0.000 0.985 398 E CA 0.929 57.304 56.400 -0.042 0.000 0.801 398 E CB -0.275 29.455 29.700 0.050 0.000 0.750 398 E HN 0.417 nan 8.360 nan 0.000 0.452 399 A N 0.734 123.537 122.820 -0.030 0.000 2.015 399 A HA -0.030 4.290 4.320 0.001 0.000 0.219 399 A C 2.233 179.790 177.584 -0.045 0.000 1.163 399 A CA 1.443 53.464 52.037 -0.027 0.000 0.646 399 A CB -0.401 18.595 19.000 -0.007 0.000 0.806 399 A HN 0.356 nan 8.150 nan 0.000 0.448 400 A N -0.716 122.063 122.820 -0.069 0.000 1.929 400 A HA 0.118 4.439 4.320 0.001 0.000 0.216 400 A C 1.961 179.480 177.584 -0.107 0.000 1.176 400 A CA 1.391 53.385 52.037 -0.072 0.000 0.628 400 A CB -0.413 18.555 19.000 -0.053 0.000 0.816 400 A HN 0.376 nan 8.150 nan 0.000 0.444 401 L N 0.345 121.451 121.223 -0.196 0.000 2.109 401 L HA 0.045 4.386 4.340 0.001 0.000 0.207 401 L C 1.198 178.026 176.870 -0.069 0.000 1.086 401 L CA 0.778 55.517 54.840 -0.169 0.000 0.760 401 L CB -0.785 41.106 42.059 -0.280 0.000 0.910 401 L HN 0.570 nan 8.230 nan 0.000 0.437 402 I N -1.251 119.281 120.570 -0.064 0.000 2.752 402 I HA 0.323 4.494 4.170 0.001 0.000 0.289 402 I C 1.190 177.296 176.117 -0.019 0.000 1.197 402 I CA 0.288 61.568 61.300 -0.034 0.000 1.432 402 I CB -0.466 37.516 38.000 -0.030 0.000 1.359 402 I HN 0.344 nan 8.210 nan 0.000 0.571 403 G N 3.398 112.193 108.800 -0.009 0.000 2.225 403 G HA2 -0.212 3.748 3.960 0.001 0.000 0.264 403 G HA3 -0.212 3.748 3.960 0.001 0.000 0.264 403 G C -0.157 174.749 174.900 0.009 0.000 1.060 403 G CA -0.069 45.031 45.100 -0.000 0.000 0.833 403 G HN 0.860 nan 8.290 nan 0.000 0.498 404 Q N -1.034 118.778 119.800 0.020 0.000 2.553 404 Q HA 0.353 4.693 4.340 0.001 0.000 0.293 404 Q C -1.054 174.988 176.000 0.070 0.000 1.038 404 Q CA -1.047 54.777 55.803 0.036 0.000 0.777 404 Q CB 1.490 30.244 28.738 0.026 0.000 1.487 404 Q HN 0.211 nan 8.270 nan 0.000 0.426 405 D N 0.957 121.401 120.400 0.074 0.000 2.443 405 D HA 0.039 4.679 4.640 0.001 0.000 0.239 405 D C -0.659 175.747 176.300 0.178 0.000 1.136 405 D CA 0.450 54.513 54.000 0.105 0.000 0.879 405 D CB 0.296 41.136 40.800 0.067 0.000 1.195 405 D HN 0.245 nan 8.370 nan 0.000 0.443 406 F N 3.892 123.855 119.950 0.021 0.000 2.640 406 F HA 0.210 4.737 4.527 0.001 0.000 0.331 406 F C 0.145 175.965 175.800 0.033 0.000 1.200 406 F CA -0.507 57.514 58.000 0.034 0.000 1.278 406 F CB -0.398 38.623 39.000 0.036 0.000 1.571 406 F HN 0.086 nan 8.300 nan 0.000 0.576 407 R N 0.879 121.314 120.500 -0.108 0.000 2.873 407 R HA 0.306 4.647 4.340 0.001 0.000 0.264 407 R C 1.051 177.259 176.300 -0.153 0.000 1.026 407 R CA -0.889 55.123 56.100 -0.145 0.000 1.002 407 R CB 1.206 31.478 30.300 -0.046 0.000 1.174 407 R HN 0.266 nan 8.270 nan 0.000 0.488 408 E N 1.475 121.596 120.200 -0.130 0.000 2.070 408 E HA -0.234 4.117 4.350 0.001 0.000 0.197 408 E C 1.163 177.750 176.600 -0.021 0.000 1.004 408 E CA 2.251 58.604 56.400 -0.079 0.000 0.805 408 E CB 0.058 29.723 29.700 -0.058 0.000 0.744 408 E HN 0.643 nan 8.360 nan 0.000 0.451 409 D N -0.154 120.238 120.400 -0.013 0.000 2.117 409 D HA -0.168 4.473 4.640 0.001 0.000 0.197 409 D C 1.985 178.300 176.300 0.026 0.000 0.987 409 D CA 2.007 56.012 54.000 0.009 0.000 0.829 409 D CB -0.755 40.049 40.800 0.006 0.000 0.961 409 D HN 0.240 nan 8.370 nan 0.000 0.460 410 T N -0.340 114.227 114.554 0.022 0.000 2.857 410 T HA -0.055 4.296 4.350 0.001 0.000 0.266 410 T C 2.240 176.975 174.700 0.058 0.000 1.048 410 T CA 0.461 62.583 62.100 0.036 0.000 1.139 410 T CB -0.301 68.587 68.868 0.033 0.000 0.874 410 T HN 0.068 nan 8.240 nan 0.000 0.455 411 I N 2.257 122.867 120.570 0.067 0.000 2.353 411 I HA 0.055 4.226 4.170 0.001 0.000 0.248 411 I C 3.092 179.333 176.117 0.207 0.000 1.119 411 I CA 1.152 62.536 61.300 0.140 0.000 1.417 411 I CB -1.654 36.431 38.000 0.141 0.000 1.078 411 I HN 0.361 nan 8.210 nan 0.000 0.421 412 A N 0.983 123.878 122.820 0.125 0.000 2.015 412 A HA 0.024 4.345 4.320 0.001 0.000 0.219 412 A C 2.445 180.096 177.584 0.111 0.000 1.163 412 A CA 1.495 53.597 52.037 0.109 0.000 0.646 412 A CB -0.472 18.564 19.000 0.060 0.000 0.806 412 A HN 0.401 nan 8.150 nan 0.000 0.448 413 A N -1.056 121.825 122.820 0.102 0.000 2.167 413 A HA 0.448 4.769 4.320 0.001 0.000 0.214 413 A C 1.901 179.554 177.584 0.116 0.000 1.151 413 A CA 1.309 53.398 52.037 0.086 0.000 0.735 413 A CB -0.342 18.693 19.000 0.058 0.000 0.802 413 A HN 0.994 nan 8.150 nan 0.000 0.467 414 A N -1.038 121.897 122.820 0.192 0.000 2.431 414 A HA 0.467 4.788 4.320 0.001 0.000 0.239 414 A C 1.575 179.444 177.584 0.475 0.000 1.230 414 A CA -0.143 52.055 52.037 0.268 0.000 0.928 414 A CB -0.233 18.855 19.000 0.146 0.000 1.006 414 A HN 0.345 nan 8.150 nan 0.000 0.520 415 L N -0.037 121.389 121.223 0.340 0.000 2.127 415 L HA -0.107 4.234 4.340 0.001 0.000 0.211 415 L C -0.727 176.141 176.870 -0.004 0.000 1.089 415 L CA 1.343 56.236 54.840 0.088 0.000 0.757 415 L CB -1.158 40.922 42.059 0.034 0.000 0.899 415 L HN 0.229 nan 8.230 nan 0.000 0.434 416 P HA -0.117 nan 4.420 nan 0.000 0.226 416 P C 1.713 179.029 177.300 0.027 0.000 1.153 416 P CA 1.013 64.125 63.100 0.020 0.000 0.777 416 P CB 0.098 31.817 31.700 0.032 0.000 0.794 417 L N -1.635 119.642 121.223 0.090 0.000 2.376 417 L HA -0.086 4.255 4.340 0.001 0.000 0.219 417 L C 2.165 179.060 176.870 0.042 0.000 1.133 417 L CA 0.825 55.724 54.840 0.098 0.000 0.816 417 L CB -0.688 41.485 42.059 0.191 0.000 0.933 417 L HN -0.039 nan 8.230 nan 0.000 0.449 418 L N -0.626 120.580 121.223 -0.029 0.000 2.141 418 L HA -0.135 4.205 4.340 0.001 0.000 0.209 418 L C 2.600 179.439 176.870 -0.052 0.000 1.094 418 L CA 0.949 55.733 54.840 -0.093 0.000 0.763 418 L CB -0.524 41.377 42.059 -0.263 0.000 0.908 418 L HN 0.229 nan 8.230 nan 0.000 0.437 419 A N -1.046 121.744 122.820 -0.050 0.000 2.216 419 A HA -0.138 4.183 4.320 0.001 0.000 0.214 419 A C 2.065 179.627 177.584 -0.036 0.000 1.160 419 A CA 1.005 53.022 52.037 -0.033 0.000 0.725 419 A CB -0.205 18.776 19.000 -0.031 0.000 0.784 419 A HN 0.523 nan 8.150 nan 0.000 0.472 420 Q N -1.276 118.491 119.800 -0.056 0.000 2.378 420 Q HA -0.014 4.326 4.340 0.001 0.000 0.229 420 Q C 0.716 176.624 176.000 -0.153 0.000 0.882 420 Q CA 0.330 56.090 55.803 -0.072 0.000 0.936 420 Q CB 0.213 28.925 28.738 -0.044 0.000 1.092 420 Q HN 0.482 nan 8.270 nan 0.000 0.535 421 D N 0.022 120.267 120.400 -0.257 0.000 2.149 421 D HA -0.002 4.639 4.640 0.001 0.000 0.201 421 D C -0.065 175.668 176.300 -0.945 0.000 0.972 421 D CA 1.125 54.755 54.000 -0.618 0.000 0.835 421 D CB 0.351 40.692 40.800 -0.764 0.000 0.966 421 D HN 0.018 nan 8.370 nan 0.000 0.476 422 F N -1.375 118.525 119.950 -0.084 0.000 2.643 422 F HA 0.384 4.912 4.527 0.001 0.000 0.314 422 F C -0.167 175.578 175.800 -0.092 0.000 1.096 422 F CA -1.009 56.934 58.000 -0.095 0.000 0.953 422 F CB 1.911 40.820 39.000 -0.151 0.000 1.345 422 F HN -0.520 nan 8.300 nan 0.000 0.468 423 T N 1.143 115.770 114.554 0.122 0.000 3.305 423 T HA 0.363 4.714 4.350 0.001 0.000 0.348 423 T C -2.625 172.084 174.700 0.015 0.000 1.394 423 T CA -1.119 61.005 62.100 0.041 0.000 1.549 423 T CB 0.335 69.212 68.868 0.015 0.000 0.962 423 T HN 0.125 nan 8.240 nan 0.000 0.609 424 P HA 0.274 nan 4.420 nan 0.000 0.271 424 P C -0.216 177.057 177.300 -0.045 0.000 1.233 424 P CA -0.650 62.417 63.100 -0.054 0.000 0.795 424 P CB 0.718 32.359 31.700 -0.098 0.000 0.936 425 L N -0.166 121.023 121.223 -0.058 0.000 2.365 425 L HA 0.410 4.751 4.340 0.001 0.000 0.267 425 L C -0.140 176.710 176.870 -0.034 0.000 1.033 425 L CA -0.129 54.682 54.840 -0.048 0.000 0.802 425 L CB 1.398 43.417 42.059 -0.067 0.000 1.267 425 L HN 0.276 nan 8.230 nan 0.000 0.457 426 S N 0.657 116.343 115.700 -0.024 0.000 2.252 426 S HA 0.280 4.751 4.470 0.001 0.000 0.187 426 S C -1.029 173.564 174.600 -0.012 0.000 1.587 426 S CA -1.004 57.189 58.200 -0.012 0.000 1.215 426 S CB 0.096 63.292 63.200 -0.007 0.000 1.085 426 S HN 0.637 nan 8.310 nan 0.000 0.466 427 D N 1.863 122.255 120.400 -0.012 0.000 2.560 427 D HA 0.224 4.865 4.640 0.001 0.000 0.277 427 D C 1.706 178.002 176.300 -0.006 0.000 1.194 427 D CA -0.927 53.066 54.000 -0.011 0.000 1.092 427 D CB 0.092 40.883 40.800 -0.015 0.000 1.169 427 D HN 0.234 nan 8.370 nan 0.000 0.607 428 M N -1.263 118.333 119.600 -0.006 0.000 2.549 428 M HA 0.080 4.561 4.480 0.001 0.000 0.260 428 M C 1.124 177.420 176.300 -0.008 0.000 1.076 428 M CA 1.241 56.536 55.300 -0.008 0.000 1.090 428 M CB -0.876 31.720 32.600 -0.006 0.000 1.418 428 M HN 0.326 nan 8.290 nan 0.000 0.486 429 R N 0.526 121.025 120.500 -0.001 0.000 2.265 429 R HA 0.530 4.870 4.340 0.001 0.000 0.194 429 R C -0.039 176.283 176.300 0.036 0.000 0.931 429 R CA 0.661 56.766 56.100 0.008 0.000 1.032 429 R CB 0.532 30.834 30.300 0.005 0.000 0.980 429 R HN 0.515 nan 8.270 nan 0.000 0.497 430 A N 0.158 123.004 122.820 0.044 0.000 2.586 430 A HA 0.262 4.583 4.320 0.001 0.000 0.296 430 A C -0.843 176.785 177.584 0.072 0.000 1.040 430 A CA -0.802 51.298 52.037 0.106 0.000 0.701 430 A CB 0.814 19.948 19.000 0.223 0.000 1.277 430 A HN 0.121 nan 8.150 nan 0.000 0.413 431 S N 1.360 117.111 115.700 0.085 0.000 2.565 431 S HA 0.535 5.005 4.470 0.001 0.000 0.276 431 S C 1.402 176.041 174.600 0.065 0.000 1.326 431 S CA 0.187 58.419 58.200 0.054 0.000 1.045 431 S CB 1.430 64.654 63.200 0.039 0.000 0.918 431 S HN 2.208 nan 8.310 nan 0.000 0.505 432 A N 3.835 126.667 122.820 0.020 0.000 1.903 432 A HA -0.060 4.260 4.320 0.001 0.000 0.219 432 A C 2.458 180.041 177.584 -0.003 0.000 1.191 432 A CA 2.324 54.357 52.037 -0.006 0.000 0.638 432 A CB -1.769 17.222 19.000 -0.015 0.000 0.823 432 A HN 1.505 nan 8.150 nan 0.000 0.451 433 A N -1.384 121.449 122.820 0.021 0.000 1.884 433 A HA -0.230 4.091 4.320 0.001 0.000 0.219 433 A C 2.213 179.826 177.584 0.049 0.000 1.197 433 A CA 2.071 54.124 52.037 0.027 0.000 0.637 433 A CB -0.999 18.023 19.000 0.038 0.000 0.827 433 A HN 0.923 nan 8.150 nan 0.000 0.450 434 Y N -0.003 120.270 120.300 -0.044 0.000 2.200 434 Y HA -0.113 4.437 4.550 0.001 0.000 0.290 434 Y C 2.516 178.383 175.900 -0.054 0.000 1.137 434 Y CA 1.892 59.966 58.100 -0.044 0.000 1.163 434 Y CB -0.400 38.038 38.460 -0.038 0.000 0.988 434 Y HN 0.279 nan 8.280 nan 0.000 0.518 435 R N -0.457 119.958 120.500 -0.142 0.000 2.083 435 R HA -0.234 4.107 4.340 0.001 0.000 0.237 435 R C 2.292 178.428 176.300 -0.274 0.000 1.137 435 R CA 2.014 57.967 56.100 -0.245 0.000 0.951 435 R CB -0.395 29.829 30.300 -0.125 0.000 0.851 435 R HN 0.452 nan 8.270 nan 0.000 0.434 436 M N 0.835 120.318 119.600 -0.194 0.000 2.117 436 M HA -0.175 4.305 4.480 0.001 0.000 0.262 436 M C 1.644 177.825 176.300 -0.199 0.000 1.065 436 M CA 1.785 56.968 55.300 -0.194 0.000 1.114 436 M CB -0.556 31.975 32.600 -0.113 0.000 1.361 436 M HN 0.166 nan 8.290 nan 0.000 0.408 437 N N -0.623 117.979 118.700 -0.164 0.000 2.120 437 N HA -0.125 4.615 4.740 0.001 0.000 0.188 437 N C 1.551 176.951 175.510 -0.183 0.000 1.024 437 N CA 1.282 54.253 53.050 -0.132 0.000 0.852 437 N CB -0.039 38.419 38.487 -0.048 0.000 1.003 437 N HN 0.504 nan 8.380 nan 0.000 0.424 438 A N 0.772 123.399 122.820 -0.322 0.000 1.968 438 A HA 0.105 4.426 4.320 0.001 0.000 0.217 438 A C 2.274 179.767 177.584 -0.152 0.000 1.169 438 A CA 1.303 53.159 52.037 -0.301 0.000 0.638 438 A CB -0.537 18.138 19.000 -0.542 0.000 0.812 438 A HN 0.418 nan 8.150 nan 0.000 0.446 439 A N -0.315 122.385 122.820 -0.200 0.000 1.883 439 A HA -0.251 4.070 4.320 0.001 0.000 0.217 439 A C 2.124 179.651 177.584 -0.096 0.000 1.186 439 A CA 1.761 53.683 52.037 -0.191 0.000 0.624 439 A CB -0.618 17.986 19.000 -0.660 0.000 0.822 439 A HN 0.633 nan 8.150 nan 0.000 0.444 440 Q N -0.842 118.854 119.800 -0.174 0.000 2.084 440 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 440 Q C 2.393 178.367 176.000 -0.042 0.000 0.978 440 Q CA 1.289 57.005 55.803 -0.144 0.000 0.844 440 Q CB -0.383 28.276 28.738 -0.132 0.000 0.898 440 Q HN 0.692 nan 8.270 nan 0.000 0.426 441 A N 0.541 123.337 122.820 -0.040 0.000 1.972 441 A HA -0.175 4.146 4.320 0.001 0.000 0.219 441 A C 1.968 179.554 177.584 0.004 0.000 1.169 441 A CA 1.263 53.288 52.037 -0.020 0.000 0.635 441 A CB -0.417 18.557 19.000 -0.044 0.000 0.810 441 A HN 0.303 nan 8.150 nan 0.000 0.446 442 M N -0.786 118.847 119.600 0.054 0.000 2.296 442 M HA -0.063 4.417 4.480 0.001 0.000 0.265 442 M C 2.353 178.793 176.300 0.233 0.000 1.064 442 M CA 1.131 56.497 55.300 0.109 0.000 1.109 442 M CB -0.180 32.586 32.600 0.277 0.000 1.396 442 M HN 0.482 nan 8.290 nan 0.000 0.430 443 A N 0.270 123.229 122.820 0.232 0.000 1.897 443 A HA -0.041 4.279 4.320 0.001 0.000 0.215 443 A C 2.029 179.783 177.584 0.284 0.000 1.181 443 A CA 1.075 53.309 52.037 0.329 0.000 0.620 443 A CB -0.709 18.506 19.000 0.359 0.000 0.821 443 A HN 0.424 nan 8.150 nan 0.000 0.443 444 L N -0.691 120.628 121.223 0.160 0.000 2.046 444 L HA -0.179 4.162 4.340 0.001 0.000 0.208 444 L C 2.735 179.645 176.870 0.067 0.000 1.077 444 L CA 1.747 56.642 54.840 0.091 0.000 0.747 444 L CB -0.511 41.575 42.059 0.044 0.000 0.896 444 L HN 0.502 nan 8.230 nan 0.000 0.432 445 R N -0.397 120.129 120.500 0.043 0.000 2.096 445 R HA -0.280 4.060 4.340 0.001 0.000 0.240 445 R C 2.491 178.851 176.300 0.101 0.000 1.139 445 R CA 2.060 58.140 56.100 -0.032 0.000 0.952 445 R CB -0.639 29.500 30.300 -0.268 0.000 0.854 445 R HN 0.266 nan 8.270 nan 0.000 0.436 446 Y N 0.829 121.227 120.300 0.163 0.000 2.165 446 Y HA -0.199 4.352 4.550 0.001 0.000 0.286 446 Y C 2.035 178.059 175.900 0.206 0.000 1.155 446 Y CA 1.856 60.140 58.100 0.306 0.000 1.164 446 Y CB -0.127 38.561 38.460 0.380 0.000 0.978 446 Y HN -0.079 nan 8.280 nan 0.000 0.513 447 V N 0.321 120.305 119.914 0.115 0.000 2.548 447 V HA -0.244 3.877 4.120 0.001 0.000 0.249 447 V C 2.272 178.262 176.094 -0.173 0.000 1.055 447 V CA 2.058 64.233 62.300 -0.208 0.000 1.065 447 V CB -0.555 31.085 31.823 -0.305 0.000 0.681 447 V HN 0.307 nan 8.190 nan 0.000 0.462 448 R N 0.012 120.468 120.500 -0.073 0.000 2.057 448 R HA -0.122 4.218 4.340 0.001 0.000 0.229 448 R C 2.439 178.712 176.300 -0.045 0.000 1.136 448 R CA 1.523 57.588 56.100 -0.058 0.000 0.952 448 R CB -0.342 29.936 30.300 -0.037 0.000 0.848 448 R HN 0.559 nan 8.270 nan 0.000 0.430 449 E N 1.065 121.250 120.200 -0.026 0.000 2.085 449 E HA -0.192 4.159 4.350 0.001 0.000 0.194 449 E C 1.974 178.552 176.600 -0.037 0.000 0.994 449 E CA 1.063 57.458 56.400 -0.009 0.000 0.801 449 E CB 0.052 29.787 29.700 0.059 0.000 0.743 449 E HN 0.263 nan 8.360 nan 0.000 0.453 450 L N 0.736 121.905 121.223 -0.089 0.000 2.141 450 L HA -0.125 4.216 4.340 0.001 0.000 0.209 450 L C 2.642 179.511 176.870 -0.001 0.000 1.094 450 L CA 1.340 56.141 54.840 -0.065 0.000 0.763 450 L CB -0.507 41.510 42.059 -0.071 0.000 0.908 450 L HN 0.233 nan 8.230 nan 0.000 0.437 451 S N -0.717 114.970 115.700 -0.022 0.000 2.555 451 S HA 0.063 4.534 4.470 0.001 0.000 0.230 451 S C 1.442 176.034 174.600 -0.013 0.000 0.978 451 S CA 0.548 58.739 58.200 -0.016 0.000 0.934 451 S CB 0.257 63.425 63.200 -0.053 0.000 0.766 451 S HN 0.565 nan 8.310 nan 0.000 0.533 452 G N 0.304 109.095 108.800 -0.016 0.000 2.135 452 G HA2 -0.178 3.782 3.960 0.001 0.000 0.183 452 G HA3 -0.178 3.782 3.960 0.001 0.000 0.183 452 G C -0.317 174.576 174.900 -0.012 0.000 1.004 452 G CA -0.162 44.931 45.100 -0.011 0.000 0.677 452 G HN 0.550 nan 8.290 nan 0.000 0.512 453 E N 0.021 120.211 120.200 -0.016 0.000 2.374 453 E HA 0.560 4.910 4.350 0.001 0.000 0.260 453 E C 0.755 177.349 176.600 -0.010 0.000 1.101 453 E CA 0.060 56.450 56.400 -0.015 0.000 0.907 453 E CB 0.977 30.664 29.700 -0.021 0.000 1.014 453 E HN 0.607 nan 8.360 nan 0.000 0.427 454 A N 2.545 125.360 122.820 -0.009 0.000 2.437 454 A HA 0.245 4.566 4.320 0.001 0.000 0.303 454 A C 0.448 178.027 177.584 -0.010 0.000 1.324 454 A CA -0.323 51.710 52.037 -0.007 0.000 0.983 454 A CB 0.022 19.020 19.000 -0.005 0.000 1.142 454 A HN 0.412 nan 8.150 nan 0.000 0.541 455 V N 2.152 122.059 119.914 -0.012 0.000 3.359 455 V HA 0.192 4.312 4.120 0.001 0.000 0.245 455 V C 1.420 177.500 176.094 -0.023 0.000 1.247 455 V CA 0.779 63.063 62.300 -0.025 0.000 1.145 455 V CB -0.705 31.090 31.823 -0.047 0.000 0.906 455 V HN 0.885 nan 8.190 nan 0.000 0.464 456 A N 0.618 123.432 122.820 -0.010 0.000 2.454 456 A HA 0.393 4.714 4.320 0.001 0.000 0.260 456 A C 1.176 178.752 177.584 -0.012 0.000 1.106 456 A CA 0.566 52.597 52.037 -0.009 0.000 0.780 456 A CB 0.974 19.973 19.000 -0.001 0.000 1.044 456 A HN 0.173 nan 8.150 nan 0.000 0.498 457 V N 3.891 123.804 119.914 -0.002 0.000 2.591 457 V HA -0.083 4.037 4.120 0.001 0.000 0.249 457 V C 1.876 177.943 176.094 -0.044 0.000 1.053 457 V CA 1.799 64.113 62.300 0.023 0.000 1.068 457 V CB -0.490 31.410 31.823 0.128 0.000 0.689 457 V HN 0.871 nan 8.190 nan 0.000 0.462 458 L N -0.147 120.976 121.223 -0.168 0.000 2.291 458 L HA -0.049 4.291 4.340 0.001 0.000 0.214 458 L C 2.354 179.141 176.870 -0.137 0.000 1.120 458 L CA 1.483 56.163 54.840 -0.268 0.000 0.799 458 L CB -0.166 41.631 42.059 -0.436 0.000 0.925 458 L HN 0.423 nan 8.230 nan 0.000 0.446 459 E N -1.105 119.045 120.200 -0.083 0.000 2.478 459 E HA 0.013 4.364 4.350 0.001 0.000 0.194 459 E C 0.255 176.837 176.600 -0.031 0.000 1.045 459 E CA -0.198 56.172 56.400 -0.051 0.000 0.868 459 E CB 0.423 30.102 29.700 -0.034 0.000 0.885 459 E HN 0.166 nan 8.360 nan 0.000 0.505 460 V N 2.919 122.818 119.914 -0.025 0.000 2.572 460 V HA -0.004 4.117 4.120 0.001 0.000 0.291 460 V C 0.318 176.409 176.094 -0.005 0.000 1.039 460 V CA 0.213 62.508 62.300 -0.008 0.000 1.055 460 V CB 0.679 32.504 31.823 0.004 0.000 0.969 460 V HN 0.216 nan 8.190 nan 0.000 0.482 461 M N 5.654 125.253 119.600 -0.001 0.000 2.188 461 M HA 0.445 4.925 4.480 0.001 0.000 0.357 461 M C -1.451 174.854 176.300 0.008 0.000 1.204 461 M CA -2.119 53.182 55.300 0.002 0.000 1.095 461 M CB 0.023 32.623 32.600 0.000 0.000 1.604 461 M HN 0.486 nan 8.290 nan 0.000 0.464 462 P HA 0.000 nan 4.420 nan 0.000 0.216 462 P CA 0.000 63.109 63.100 0.016 0.000 0.800 462 P CB 0.000 31.712 31.700 0.020 0.000 0.726