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 1dz6_1_A DATA FIRST_RESID 11 DATA SEQUENCE LAPLPPHVPE HLVFDFDMYN PSNLSAGVQE AWAVLQESNV PDLVWTRCNG DATA SEQUENCE GHWIATRGQL IREAYEDYRH FSSECPFIPR EAGEAYDFIP TSMDPPEQRQ DATA SEQUENCE FRALANQVVG MPVVDKLENR IQELACSLIE SLRPQGQCNF TEDYAEPFPI DATA SEQUENCE RIFMLLAGLP EEDIPHLKYL TDQMTRPDGS MTFAEAKEAL YDYLIPIIEQ DATA SEQUENCE RRQKPGTDAI SIVANGQVNG RPITSDEAKR MCGLLLVGGL DTVVNFLSFS DATA SEQUENCE MEFLAKSPEH RQELIQRPER IPAACEELLR RFSLVADGRI LTSDYEFHGV DATA SEQUENCE QLKKGDQILL PQMLSGLDER ENACPMHVDF SRQKVSHTTF GHGSHLCLGQ DATA SEQUENCE HLARREIIVT LKEWLTRIPD FSIAPGAQIQ HKSGIVSGVQ ALPLVWDPAT DATA SEQUENCE TKAV 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.869 176.870 -0.002 0.000 1.165 11 L CA 0.000 54.825 54.840 -0.024 0.000 0.813 11 L CB 0.000 42.040 42.059 -0.031 0.000 0.961 12 A N 4.312 127.141 122.820 0.015 0.000 2.306 12 A HA 0.950 5.273 4.320 0.005 0.000 0.330 12 A C -2.584 175.034 177.584 0.058 0.000 1.146 12 A CA -1.650 50.413 52.037 0.043 0.000 0.827 12 A CB 0.522 19.561 19.000 0.064 0.000 1.178 12 A HN 0.532 nan 8.150 nan 0.000 0.490 13 P HA 0.088 nan 4.420 nan 0.000 0.257 13 P C -0.380 176.919 177.300 -0.001 0.000 1.189 13 P CA -0.022 63.088 63.100 0.016 0.000 0.780 13 P CB -0.026 31.681 31.700 0.011 0.000 0.772 14 L N 7.820 129.019 121.223 -0.040 0.000 2.615 14 L HA 0.139 4.482 4.340 0.005 0.000 0.271 14 L C -2.057 174.655 176.870 -0.263 0.000 1.183 14 L CA -1.267 53.467 54.840 -0.177 0.000 0.933 14 L CB -0.845 41.117 42.059 -0.161 0.000 1.199 14 L HN 0.289 nan 8.230 nan 0.000 0.487 15 P HA 0.140 nan 4.420 nan 0.000 0.269 15 P C -2.084 175.042 177.300 -0.289 0.000 1.209 15 P CA -0.931 61.965 63.100 -0.339 0.000 0.776 15 P CB 0.093 31.497 31.700 -0.493 0.000 0.876 16 P HA -0.245 nan 4.420 nan 0.000 0.216 16 P C 1.337 178.619 177.300 -0.031 0.000 1.157 16 P CA 1.679 64.752 63.100 -0.044 0.000 0.880 16 P CB -0.521 31.191 31.700 0.020 0.000 0.791 17 H N -1.525 117.487 119.070 -0.096 0.000 2.561 17 H HA 0.042 4.601 4.556 0.005 0.000 0.278 17 H C -0.006 175.288 175.328 -0.056 0.000 1.014 17 H CA 0.438 56.457 56.048 -0.048 0.000 1.211 17 H CB -1.097 28.669 29.762 0.007 0.000 1.365 17 H HN -0.040 nan 8.280 nan 0.000 0.594 18 V N 5.067 124.677 119.914 -0.508 0.000 2.406 18 V HA 0.214 4.337 4.120 0.005 0.000 0.272 18 V C -1.934 174.029 176.094 -0.218 0.000 1.043 18 V CA -1.680 60.356 62.300 -0.439 0.000 0.915 18 V CB 1.456 32.675 31.823 -1.006 0.000 0.988 18 V HN 0.234 nan 8.190 nan 0.000 0.466 19 P HA 0.236 nan 4.420 nan 0.000 0.276 19 P C 0.447 177.721 177.300 -0.043 0.000 1.230 19 P CA -0.231 62.870 63.100 0.001 0.000 0.776 19 P CB 1.359 33.129 31.700 0.117 0.000 0.888 20 E N 1.171 121.386 120.200 0.025 0.000 2.147 20 E HA -0.253 4.099 4.350 0.005 0.000 0.199 20 E C 1.721 178.359 176.600 0.063 0.000 1.005 20 E CA 1.590 58.008 56.400 0.030 0.000 0.810 20 E CB -0.526 29.206 29.700 0.053 0.000 0.736 20 E HN 0.635 nan 8.360 nan 0.000 0.460 21 H N -0.298 118.798 119.070 0.043 0.000 2.563 21 H HA 0.019 4.578 4.556 0.005 0.000 0.272 21 H C 0.999 176.386 175.328 0.098 0.000 1.005 21 H CA 0.652 56.736 56.048 0.061 0.000 1.171 21 H CB -0.098 29.693 29.762 0.048 0.000 1.351 21 H HN 0.214 nan 8.280 nan 0.000 0.602 22 L N 1.147 122.211 121.223 -0.265 0.000 3.014 22 L HA 0.261 4.604 4.340 0.005 0.000 0.263 22 L C -0.098 176.829 176.870 0.095 0.000 1.207 22 L CA -0.300 54.486 54.840 -0.090 0.000 1.017 22 L CB 1.191 43.196 42.059 -0.092 0.000 1.360 22 L HN -0.045 nan 8.230 nan 0.000 0.560 23 V N 0.964 120.929 119.914 0.084 0.000 2.432 23 V HA 0.181 4.304 4.120 0.005 0.000 0.271 23 V C -0.761 175.430 176.094 0.162 0.000 1.046 23 V CA 0.032 62.408 62.300 0.126 0.000 0.945 23 V CB 1.276 33.140 31.823 0.069 0.000 0.992 23 V HN 0.112 nan 8.190 nan 0.000 0.471 24 F N 3.857 123.814 119.950 0.011 0.000 2.716 24 F HA 0.444 4.974 4.527 0.005 0.000 0.354 24 F C 0.210 175.992 175.800 -0.029 0.000 1.168 24 F CA -0.877 57.122 58.000 -0.002 0.000 1.045 24 F CB 1.316 40.318 39.000 0.003 0.000 1.311 24 F HN 0.453 nan 8.300 nan 0.000 0.477 25 D N 5.898 126.169 120.400 -0.214 0.000 2.767 25 D HA -0.002 4.641 4.640 0.005 0.000 0.231 25 D C -0.358 175.870 176.300 -0.120 0.000 1.105 25 D CA 0.482 54.386 54.000 -0.160 0.000 1.024 25 D CB -0.578 40.108 40.800 -0.191 0.000 1.123 25 D HN 0.268 nan 8.370 nan 0.000 0.470 26 F N 1.553 121.454 119.950 -0.080 0.000 2.438 26 F HA 0.147 4.677 4.527 0.005 0.000 0.356 26 F C 0.395 176.092 175.800 -0.172 0.000 1.099 26 F CA -0.818 57.135 58.000 -0.079 0.000 1.185 26 F CB 0.787 39.802 39.000 0.025 0.000 1.115 26 F HN -0.137 nan 8.300 nan 0.000 0.526 27 D N 7.445 127.334 120.400 -0.852 0.000 2.443 27 D HA 0.098 4.741 4.640 0.005 0.000 0.221 27 D C 1.073 176.924 176.300 -0.749 0.000 1.097 27 D CA -0.510 53.160 54.000 -0.549 0.000 0.865 27 D CB 0.814 41.416 40.800 -0.330 0.000 1.034 27 D HN 0.725 nan 8.370 nan 0.000 0.511 28 M N 2.045 121.380 119.600 -0.442 0.000 2.337 28 M HA -0.176 4.307 4.480 0.005 0.000 0.261 28 M C 0.235 176.390 176.300 -0.243 0.000 1.067 28 M CA 1.403 56.497 55.300 -0.343 0.000 1.074 28 M CB -0.399 32.132 32.600 -0.114 0.000 1.395 28 M HN 0.234 nan 8.290 nan 0.000 0.431 29 Y N 0.644 120.921 120.300 -0.039 0.000 2.457 29 Y HA 0.295 4.848 4.550 0.005 0.000 0.263 29 Y C 0.512 176.398 175.900 -0.023 0.000 1.164 29 Y CA 0.033 58.142 58.100 0.014 0.000 1.274 29 Y CB 0.302 38.764 38.460 0.004 0.000 1.097 29 Y HN 0.488 nan 8.280 nan 0.000 0.523 30 N N 0.637 119.329 118.700 -0.013 0.000 2.926 30 N HA 0.087 4.830 4.740 0.005 0.000 0.201 30 N C -3.244 172.144 175.510 -0.203 0.000 1.419 30 N CA -0.943 52.076 53.050 -0.052 0.000 0.838 30 N CB 0.823 39.301 38.487 -0.015 0.000 1.534 30 N HN -0.197 nan 8.380 nan 0.000 0.569 31 P HA 0.126 nan 4.420 nan 0.000 0.271 31 P C 0.691 177.864 177.300 -0.211 0.000 1.218 31 P CA -0.010 62.799 63.100 -0.486 0.000 0.780 31 P CB 1.384 32.789 31.700 -0.491 0.000 0.901 32 S N 2.083 117.667 115.700 -0.193 0.000 2.368 32 S HA -0.202 4.271 4.470 0.005 0.000 0.226 32 S C 1.132 175.724 174.600 -0.013 0.000 1.044 32 S CA 1.887 60.039 58.200 -0.081 0.000 1.062 32 S CB -0.830 62.339 63.200 -0.053 0.000 0.931 32 S HN 0.591 nan 8.310 nan 0.000 0.440 33 N N 1.257 119.978 118.700 0.035 0.000 2.362 33 N HA 0.238 4.981 4.740 0.005 0.000 0.211 33 N C 0.955 176.510 175.510 0.074 0.000 1.170 33 N CA -0.130 52.956 53.050 0.059 0.000 0.828 33 N CB -0.082 38.456 38.487 0.085 0.000 1.034 33 N HN 0.158 nan 8.380 nan 0.000 0.475 34 L N 1.034 122.298 121.223 0.068 0.000 2.034 34 L HA -0.286 4.057 4.340 0.005 0.000 0.217 34 L C 2.107 179.026 176.870 0.081 0.000 1.077 34 L CA 1.888 56.791 54.840 0.104 0.000 0.769 34 L CB -1.135 40.980 42.059 0.095 0.000 0.890 34 L HN 0.347 nan 8.230 nan 0.000 0.435 35 S N -0.917 114.810 115.700 0.044 0.000 2.488 35 S HA -0.124 4.349 4.470 0.005 0.000 0.246 35 S C 1.832 176.435 174.600 0.005 0.000 0.992 35 S CA 0.841 59.051 58.200 0.017 0.000 0.963 35 S CB -0.859 62.349 63.200 0.013 0.000 0.754 35 S HN 0.572 nan 8.310 nan 0.000 0.519 36 A N 0.663 123.502 122.820 0.032 0.000 2.218 36 A HA 0.603 4.926 4.320 0.005 0.000 0.209 36 A C 1.151 178.755 177.584 0.033 0.000 1.168 36 A CA 0.313 52.369 52.037 0.032 0.000 0.804 36 A CB -0.587 18.445 19.000 0.054 0.000 0.834 36 A HN 1.636 nan 8.150 nan 0.000 0.482 37 G N -2.155 106.666 108.800 0.036 0.000 2.764 37 G HA2 0.129 4.092 3.960 0.005 0.000 0.678 37 G HA3 0.129 4.092 3.960 0.005 0.000 0.678 37 G C 0.321 175.418 174.900 0.328 0.000 1.341 37 G CA -0.170 44.999 45.100 0.116 0.000 0.836 37 G HN 0.779 nan 8.290 nan 0.000 0.632 38 V N 1.560 121.847 119.914 0.622 0.000 2.407 38 V HA -0.146 3.977 4.120 0.005 0.000 0.248 38 V C 2.636 178.949 176.094 0.364 0.000 1.055 38 V CA 3.293 65.877 62.300 0.474 0.000 1.049 38 V CB -0.202 31.895 31.823 0.456 0.000 0.662 38 V HN 0.788 nan 8.190 nan 0.000 0.455 39 Q N 0.048 119.958 119.800 0.184 0.000 2.046 39 Q HA -0.188 4.155 4.340 0.005 0.000 0.200 39 Q C 2.097 178.175 176.000 0.130 0.000 0.975 39 Q CA 2.143 57.974 55.803 0.047 0.000 0.836 39 Q CB -0.344 28.316 28.738 -0.129 0.000 0.896 39 Q HN 0.697 nan 8.270 nan 0.000 0.428 40 E N 0.454 120.737 120.200 0.138 0.000 2.051 40 E HA -0.163 4.190 4.350 0.005 0.000 0.192 40 E C 1.868 178.570 176.600 0.170 0.000 0.991 40 E CA 1.321 57.794 56.400 0.121 0.000 0.799 40 E CB -0.473 29.290 29.700 0.104 0.000 0.748 40 E HN 0.394 nan 8.360 nan 0.000 0.449 41 A N 0.180 123.142 122.820 0.236 0.000 1.883 41 A HA -0.202 4.121 4.320 0.005 0.000 0.217 41 A C 1.917 179.686 177.584 0.308 0.000 1.186 41 A CA 1.603 53.793 52.037 0.255 0.000 0.624 41 A CB -1.147 18.009 19.000 0.260 0.000 0.822 41 A HN 0.390 nan 8.150 nan 0.000 0.444 42 W N -0.476 120.920 121.300 0.159 0.000 2.363 42 W HA 0.075 4.738 4.660 0.005 0.000 0.296 42 W C 2.490 178.915 176.519 -0.156 0.000 1.212 42 W CA 1.304 58.654 57.345 0.009 0.000 1.260 42 W CB -0.224 29.211 29.460 -0.041 0.000 1.131 42 W HN 0.356 nan 8.180 nan 0.000 0.530 43 A N 0.298 123.193 122.820 0.125 0.000 2.259 43 A HA 0.082 4.404 4.320 0.005 0.000 0.208 43 A C 1.836 179.408 177.584 -0.020 0.000 1.201 43 A CA 1.109 53.153 52.037 0.011 0.000 0.824 43 A CB -1.157 17.848 19.000 0.008 0.000 0.838 43 A HN 0.196 nan 8.150 nan 0.000 0.485 44 V N -2.338 117.583 119.914 0.011 0.000 2.490 44 V HA -0.198 3.925 4.120 0.005 0.000 0.250 44 V C 1.898 177.915 176.094 -0.127 0.000 1.061 44 V CA 1.747 64.065 62.300 0.030 0.000 1.064 44 V CB -1.108 30.823 31.823 0.181 0.000 0.670 44 V HN 0.457 nan 8.190 nan 0.000 0.461 45 L N -0.111 120.933 121.223 -0.298 0.000 2.642 45 L HA -0.017 4.326 4.340 0.005 0.000 0.236 45 L C 2.264 178.940 176.870 -0.324 0.000 1.169 45 L CA 1.151 55.690 54.840 -0.502 0.000 0.851 45 L CB -0.609 41.121 42.059 -0.549 0.000 0.968 45 L HN 0.459 nan 8.230 nan 0.000 0.453 46 Q N -0.945 118.737 119.800 -0.196 0.000 2.139 46 Q HA 0.161 4.504 4.340 0.005 0.000 0.219 46 Q C -0.041 175.903 176.000 -0.093 0.000 0.805 46 Q CA -0.186 55.537 55.803 -0.134 0.000 1.024 46 Q CB 0.869 29.547 28.738 -0.099 0.000 1.163 46 Q HN 0.487 nan 8.270 nan 0.000 0.485 47 E N 0.521 120.667 120.200 -0.090 0.000 2.409 47 E HA -0.006 4.347 4.350 0.005 0.000 0.257 47 E C 0.930 177.505 176.600 -0.041 0.000 1.150 47 E CA 0.372 56.747 56.400 -0.042 0.000 0.942 47 E CB 0.757 30.456 29.700 -0.003 0.000 0.979 47 E HN 0.151 nan 8.360 nan 0.000 0.447 48 S N 1.560 117.250 115.700 -0.017 0.000 2.382 48 S HA -0.218 4.255 4.470 0.005 0.000 0.228 48 S C 1.319 175.918 174.600 -0.001 0.000 1.027 48 S CA 1.440 59.633 58.200 -0.011 0.000 0.991 48 S CB -0.446 62.753 63.200 -0.002 0.000 0.823 48 S HN 0.616 nan 8.310 nan 0.000 0.469 49 N N 1.829 120.539 118.700 0.017 0.000 2.453 49 N HA -0.042 4.701 4.740 0.005 0.000 0.183 49 N C 0.138 175.672 175.510 0.039 0.000 1.041 49 N CA 0.646 53.721 53.050 0.042 0.000 0.900 49 N CB -0.451 38.082 38.487 0.077 0.000 0.961 49 N HN 0.381 nan 8.380 nan 0.000 0.443 50 V N 2.290 122.191 119.914 -0.022 0.000 2.427 50 V HA 0.330 4.453 4.120 0.005 0.000 0.286 50 V C -1.982 174.066 176.094 -0.077 0.000 1.034 50 V CA -1.802 60.446 62.300 -0.086 0.000 0.893 50 V CB 1.137 32.766 31.823 -0.323 0.000 0.982 50 V HN 0.008 nan 8.190 nan 0.000 0.452 51 P HA 0.190 nan 4.420 nan 0.000 0.271 51 P C 0.048 177.309 177.300 -0.064 0.000 1.244 51 P CA -0.283 62.806 63.100 -0.019 0.000 0.793 51 P CB 0.663 32.382 31.700 0.031 0.000 0.984 52 D N -0.824 119.541 120.400 -0.059 0.000 2.348 52 D HA 0.043 4.686 4.640 0.005 0.000 0.216 52 D C 0.162 176.412 176.300 -0.084 0.000 0.970 52 D CA 1.173 55.116 54.000 -0.094 0.000 0.889 52 D CB -0.186 40.542 40.800 -0.119 0.000 0.912 52 D HN 0.033 nan 8.370 nan 0.000 0.524 53 L N 0.338 121.547 121.223 -0.023 0.000 2.661 53 L HA 0.285 4.628 4.340 0.005 0.000 0.263 53 L C -1.007 175.970 176.870 0.179 0.000 0.956 53 L CA -1.043 53.831 54.840 0.057 0.000 0.918 53 L CB 1.396 43.466 42.059 0.018 0.000 1.280 53 L HN -0.153 nan 8.230 nan 0.000 0.416 54 V N 1.425 121.474 119.914 0.226 0.000 3.096 54 V HA 0.705 4.827 4.120 0.005 0.000 0.319 54 V C -0.983 175.350 176.094 0.398 0.000 1.103 54 V CA -0.732 61.736 62.300 0.280 0.000 1.016 54 V CB 2.116 34.020 31.823 0.135 0.000 1.090 54 V HN 0.911 nan 8.190 nan 0.000 0.449 55 W N 1.933 123.237 121.300 0.006 0.000 2.529 55 W HA 0.648 5.311 4.660 0.005 0.000 0.321 55 W C -0.892 175.473 176.519 -0.257 0.000 1.047 55 W CA -0.244 56.888 57.345 -0.356 0.000 1.216 55 W CB 1.913 30.934 29.460 -0.732 0.000 1.357 55 W HN 0.859 nan 8.180 nan 0.000 0.489 56 T N 5.229 119.191 114.554 -0.987 0.000 2.855 56 T HA 0.374 4.727 4.350 0.005 0.000 0.281 56 T C 1.012 175.215 174.700 -0.827 0.000 1.007 56 T CA -0.471 61.230 62.100 -0.664 0.000 1.009 56 T CB 1.280 69.833 68.868 -0.526 0.000 0.983 56 T HN 0.633 nan 8.240 nan 0.000 0.455 57 R N 1.727 122.044 120.500 -0.305 0.000 2.275 57 R HA 0.157 4.500 4.340 0.005 0.000 0.199 57 R C 0.729 176.930 176.300 -0.165 0.000 0.989 57 R CA 0.027 56.052 56.100 -0.125 0.000 1.016 57 R CB -0.321 29.989 30.300 0.016 0.000 0.918 57 R HN 0.590 nan 8.270 nan 0.000 0.473 58 C N 1.453 120.630 119.300 -0.205 0.000 2.656 58 C HA 0.122 4.585 4.460 0.005 0.000 0.391 58 C C 0.763 175.714 174.990 -0.064 0.000 1.300 58 C CA -0.646 58.300 59.018 -0.120 0.000 2.302 58 C CB -0.133 27.538 27.740 -0.114 0.000 2.655 58 C HN 0.645 nan 8.230 nan 0.000 0.656 59 N N 0.353 119.063 118.700 0.016 0.000 2.740 59 N HA -0.103 4.640 4.740 0.005 0.000 0.248 59 N C 0.744 176.301 175.510 0.078 0.000 1.062 59 N CA 1.077 54.178 53.050 0.086 0.000 0.704 59 N CB -1.307 37.296 38.487 0.194 0.000 0.968 59 N HN 1.497 nan 8.380 nan 0.000 0.547 60 G N -1.815 107.004 108.800 0.033 0.000 2.179 60 G HA2 0.086 4.049 3.960 0.005 0.000 0.260 60 G HA3 0.086 4.049 3.960 0.005 0.000 0.260 60 G C 0.634 175.547 174.900 0.021 0.000 0.977 60 G CA 0.507 45.632 45.100 0.041 0.000 0.641 60 G HN 1.700 nan 8.290 nan 0.000 0.533 61 G N -0.907 107.819 108.800 -0.122 0.000 3.019 61 G HA2 0.546 4.509 3.960 0.005 0.000 0.686 61 G HA3 0.546 4.509 3.960 0.005 0.000 0.686 61 G C -0.525 173.874 174.900 -0.836 0.000 1.056 61 G CA 0.542 45.353 45.100 -0.481 0.000 0.774 61 G HN 2.867 nan 8.290 nan 0.000 0.583 62 H N -1.875 116.227 119.070 -1.615 0.000 3.060 62 H HA 0.597 5.156 4.556 0.005 0.000 0.330 62 H C -0.475 174.205 175.328 -1.080 0.000 1.305 62 H CA -1.568 53.799 56.048 -1.135 0.000 1.209 62 H CB -0.045 29.468 29.762 -0.416 0.000 1.913 62 H HN 0.708 nan 8.280 nan 0.000 0.534 63 W N 1.147 122.356 121.300 -0.151 0.000 2.093 63 W HA 0.517 5.180 4.660 0.005 0.000 0.352 63 W C -0.129 176.429 176.519 0.065 0.000 1.294 63 W CA -0.352 57.023 57.345 0.050 0.000 1.290 63 W CB 0.562 30.144 29.460 0.203 0.000 1.149 63 W HN 0.457 nan 8.180 nan 0.000 0.606 64 I N 2.479 123.230 120.570 0.302 0.000 2.497 64 I HA 0.322 4.495 4.170 0.005 0.000 0.284 64 I C -0.176 175.993 176.117 0.086 0.000 1.060 64 I CA -0.994 60.400 61.300 0.156 0.000 1.071 64 I CB 1.133 39.165 38.000 0.053 0.000 1.216 64 I HN 0.440 nan 8.210 nan 0.000 0.442 65 A N 3.372 126.205 122.820 0.023 0.000 2.401 65 A HA 0.477 4.800 4.320 0.005 0.000 0.259 65 A C 1.049 178.590 177.584 -0.072 0.000 1.103 65 A CA 0.069 52.086 52.037 -0.033 0.000 0.789 65 A CB 0.275 19.228 19.000 -0.079 0.000 1.035 65 A HN 0.842 nan 8.150 nan 0.000 0.491 66 T N -0.331 114.161 114.554 -0.103 0.000 3.040 66 T HA 0.237 4.590 4.350 0.005 0.000 0.250 66 T C 0.656 175.283 174.700 -0.121 0.000 1.058 66 T CA -0.055 61.965 62.100 -0.134 0.000 0.988 66 T CB 0.072 68.830 68.868 -0.183 0.000 0.993 66 T HN 0.537 nan 8.240 nan 0.000 0.519 67 R N 0.188 120.618 120.500 -0.117 0.000 2.803 67 R HA 0.596 4.939 4.340 0.005 0.000 0.276 67 R C 1.513 177.752 176.300 -0.102 0.000 0.978 67 R CA -0.270 55.765 56.100 -0.108 0.000 0.939 67 R CB 1.162 31.392 30.300 -0.117 0.000 1.179 67 R HN 0.219 nan 8.270 nan 0.000 0.472 68 G N 0.751 109.497 108.800 -0.089 0.000 2.450 68 G HA2 -0.320 3.643 3.960 0.005 0.000 0.220 68 G HA3 -0.320 3.643 3.960 0.005 0.000 0.220 68 G C 1.126 175.970 174.900 -0.094 0.000 1.130 68 G CA 0.746 45.793 45.100 -0.089 0.000 0.760 68 G HN 0.474 nan 8.290 nan 0.000 0.557 69 Q N -0.157 119.592 119.800 -0.084 0.000 2.084 69 Q HA -0.008 4.335 4.340 0.005 0.000 0.202 69 Q C 2.298 178.253 176.000 -0.074 0.000 0.978 69 Q CA 1.235 57.000 55.803 -0.063 0.000 0.844 69 Q CB -0.353 28.358 28.738 -0.046 0.000 0.898 69 Q HN 0.404 nan 8.270 nan 0.000 0.426 70 L N -0.590 120.543 121.223 -0.150 0.000 2.209 70 L HA 0.056 4.399 4.340 0.005 0.000 0.207 70 L C 2.097 178.938 176.870 -0.049 0.000 1.094 70 L CA 0.820 55.572 54.840 -0.146 0.000 0.790 70 L CB -0.386 41.494 42.059 -0.298 0.000 0.932 70 L HN 0.225 nan 8.230 nan 0.000 0.447 71 I N -0.589 119.922 120.570 -0.098 0.000 2.127 71 I HA -0.334 3.839 4.170 0.005 0.000 0.241 71 I C 2.621 178.714 176.117 -0.041 0.000 1.075 71 I CA 1.387 62.619 61.300 -0.114 0.000 1.334 71 I CB -0.257 37.717 38.000 -0.044 0.000 1.040 71 I HN 0.171 nan 8.210 nan 0.000 0.405 72 R N 0.525 120.987 120.500 -0.062 0.000 2.081 72 R HA -0.168 4.175 4.340 0.005 0.000 0.235 72 R C 2.224 178.630 176.300 0.176 0.000 1.131 72 R CA 1.479 57.516 56.100 -0.106 0.000 0.960 72 R CB -0.339 29.749 30.300 -0.353 0.000 0.856 72 R HN 0.440 nan 8.270 nan 0.000 0.436 73 E N 0.365 120.656 120.200 0.151 0.000 2.077 73 E HA -0.175 4.178 4.350 0.005 0.000 0.193 73 E C 2.081 178.842 176.600 0.267 0.000 0.989 73 E CA 1.176 57.733 56.400 0.262 0.000 0.800 73 E CB -0.110 29.791 29.700 0.336 0.000 0.746 73 E HN 0.388 nan 8.360 nan 0.000 0.452 74 A N 0.560 123.411 122.820 0.052 0.000 1.898 74 A HA -0.176 4.147 4.320 0.005 0.000 0.216 74 A C 1.814 179.327 177.584 -0.117 0.000 1.181 74 A CA 1.146 52.961 52.037 -0.370 0.000 0.620 74 A CB -0.695 17.591 19.000 -1.190 0.000 0.819 74 A HN 0.240 nan 8.150 nan 0.000 0.442 75 Y N 0.554 120.906 120.300 0.086 0.000 2.274 75 Y HA -0.134 4.419 4.550 0.005 0.000 0.290 75 Y C 2.383 178.441 175.900 0.264 0.000 1.145 75 Y CA 1.452 59.666 58.100 0.190 0.000 1.203 75 Y CB -0.344 38.261 38.460 0.241 0.000 0.984 75 Y HN 0.486 nan 8.280 nan 0.000 0.533 76 E N -0.778 119.670 120.200 0.414 0.000 2.152 76 E HA -0.147 4.206 4.350 0.005 0.000 0.192 76 E C 0.419 177.191 176.600 0.287 0.000 0.983 76 E CA 0.909 57.502 56.400 0.323 0.000 0.818 76 E CB -0.021 29.845 29.700 0.277 0.000 0.758 76 E HN 0.163 nan 8.360 nan 0.000 0.467 77 D N 0.302 120.876 120.400 0.291 0.000 2.517 77 D HA -0.023 4.620 4.640 0.005 0.000 0.220 77 D C 0.286 176.690 176.300 0.173 0.000 1.158 77 D CA -0.353 53.759 54.000 0.187 0.000 0.992 77 D CB -0.103 40.896 40.800 0.331 0.000 1.058 77 D HN 0.184 nan 8.370 nan 0.000 0.516 78 Y N 1.090 121.479 120.300 0.148 0.000 2.561 78 Y HA 0.156 4.709 4.550 0.005 0.000 0.291 78 Y C 1.767 177.660 175.900 -0.011 0.000 1.141 78 Y CA 0.123 58.291 58.100 0.114 0.000 1.303 78 Y CB -0.285 38.252 38.460 0.128 0.000 1.015 78 Y HN 0.085 nan 8.280 nan 0.000 0.547 79 R N -0.124 120.156 120.500 -0.367 0.000 2.115 79 R HA -0.063 4.280 4.340 0.005 0.000 0.226 79 R C 1.140 177.124 176.300 -0.526 0.000 1.100 79 R CA 1.803 57.662 56.100 -0.402 0.000 0.980 79 R CB -0.407 29.569 30.300 -0.539 0.000 0.875 79 R HN 0.573 nan 8.270 nan 0.000 0.445 80 H N -1.751 117.092 119.070 -0.377 0.000 2.516 80 H HA 0.122 4.681 4.556 0.005 0.000 0.284 80 H C -0.166 174.788 175.328 -0.624 0.000 0.999 80 H CA 0.253 55.914 56.048 -0.645 0.000 1.303 80 H CB 0.414 29.421 29.762 -1.259 0.000 1.452 80 H HN -0.044 nan 8.280 nan 0.000 0.530 81 F N 1.348 121.318 119.950 0.033 0.000 2.300 81 F HA 0.299 4.829 4.527 0.005 0.000 0.364 81 F C 0.353 176.194 175.800 0.068 0.000 1.090 81 F CA -0.654 57.358 58.000 0.021 0.000 1.200 81 F CB 0.915 39.888 39.000 -0.045 0.000 1.493 81 F HN -0.084 nan 8.300 nan 0.000 0.518 82 S N 0.675 116.480 115.700 0.176 0.000 2.584 82 S HA 0.197 4.670 4.470 0.005 0.000 0.273 82 S C 1.279 175.954 174.600 0.125 0.000 1.311 82 S CA -0.406 57.885 58.200 0.151 0.000 1.034 82 S CB 1.118 64.374 63.200 0.094 0.000 0.939 82 S HN 0.498 nan 8.310 nan 0.000 0.513 83 S N 2.386 118.149 115.700 0.106 0.000 2.562 83 S HA -0.013 4.459 4.470 0.005 0.000 0.221 83 S C 1.646 176.253 174.600 0.012 0.000 0.975 83 S CA 0.603 58.816 58.200 0.022 0.000 0.918 83 S CB -0.275 62.914 63.200 -0.018 0.000 0.772 83 S HN 0.886 nan 8.310 nan 0.000 0.531 84 E N 0.345 120.574 120.200 0.049 0.000 2.130 84 E HA -0.196 4.157 4.350 0.005 0.000 0.196 84 E C 0.681 177.288 176.600 0.012 0.000 0.998 84 E CA 1.115 57.541 56.400 0.043 0.000 0.806 84 E CB 0.018 29.748 29.700 0.051 0.000 0.738 84 E HN 0.418 nan 8.360 nan 0.000 0.459 85 C N 1.685 120.980 119.300 -0.009 0.000 2.814 85 C HA 0.495 4.958 4.460 0.005 0.000 0.269 85 C C -2.102 172.843 174.990 -0.075 0.000 1.090 85 C CA -1.575 57.416 59.018 -0.045 0.000 1.492 85 C CB 1.295 29.034 27.740 -0.001 0.000 1.825 85 C HN 0.327 nan 8.230 nan 0.000 0.442 86 P HA 0.206 nan 4.420 nan 0.000 0.267 86 P C -0.141 177.189 177.300 0.049 0.000 1.289 86 P CA 0.262 63.283 63.100 -0.132 0.000 0.866 86 P CB 0.263 31.787 31.700 -0.294 0.000 1.309 87 F N 0.220 119.970 119.950 -0.333 0.000 2.556 87 F HA 0.490 5.020 4.527 0.005 0.000 0.327 87 F C 0.701 176.390 175.800 -0.185 0.000 1.059 87 F CA -2.261 55.576 58.000 -0.272 0.000 0.953 87 F CB 1.164 39.955 39.000 -0.349 0.000 1.227 87 F HN -0.344 nan 8.300 nan 0.000 0.478 88 I N 4.467 125.037 120.570 0.001 0.000 2.406 88 I HA 0.353 4.526 4.170 0.005 0.000 0.290 88 I C -2.185 174.009 176.117 0.128 0.000 0.999 88 I CA -1.896 59.386 61.300 -0.031 0.000 1.124 88 I CB 2.275 40.119 38.000 -0.260 0.000 1.289 88 I HN 0.330 nan 8.210 nan 0.000 0.441 89 P HA 0.229 nan 4.420 nan 0.000 0.279 89 P C 0.366 177.688 177.300 0.035 0.000 1.276 89 P CA -0.562 62.580 63.100 0.071 0.000 0.801 89 P CB 0.991 32.732 31.700 0.069 0.000 1.127 90 R N 0.711 121.232 120.500 0.036 0.000 2.119 90 R HA -0.189 4.154 4.340 0.005 0.000 0.246 90 R C 1.978 178.287 176.300 0.015 0.000 1.146 90 R CA 2.004 58.122 56.100 0.030 0.000 0.962 90 R CB -0.249 30.082 30.300 0.051 0.000 0.863 90 R HN 0.527 nan 8.270 nan 0.000 0.442 91 E N 0.020 120.233 120.200 0.022 0.000 2.204 91 E HA -0.132 4.221 4.350 0.005 0.000 0.194 91 E C 1.594 178.188 176.600 -0.009 0.000 0.989 91 E CA 1.239 57.651 56.400 0.020 0.000 0.824 91 E CB -0.250 29.473 29.700 0.037 0.000 0.756 91 E HN 0.448 nan 8.360 nan 0.000 0.477 92 A N 1.825 124.617 122.820 -0.046 0.000 1.874 92 A HA 0.130 4.453 4.320 0.005 0.000 0.214 92 A C 2.562 179.899 177.584 -0.412 0.000 1.189 92 A CA 1.421 53.309 52.037 -0.248 0.000 0.615 92 A CB -1.182 17.741 19.000 -0.130 0.000 0.830 92 A HN 0.385 nan 8.150 nan 0.000 0.443 93 G N -0.163 108.527 108.800 -0.184 0.000 2.442 93 G HA2 -0.213 3.750 3.960 0.005 0.000 0.219 93 G HA3 -0.213 3.750 3.960 0.005 0.000 0.219 93 G C 1.399 176.223 174.900 -0.126 0.000 1.141 93 G CA 1.045 46.038 45.100 -0.179 0.000 0.763 93 G HN 0.667 nan 8.290 nan 0.000 0.554 94 E N 0.531 120.690 120.200 -0.068 0.000 2.107 94 E HA 0.045 4.398 4.350 0.005 0.000 0.191 94 E C 2.895 179.484 176.600 -0.017 0.000 0.982 94 E CA 0.635 57.022 56.400 -0.022 0.000 0.809 94 E CB -0.154 29.549 29.700 0.005 0.000 0.756 94 E HN 0.407 nan 8.360 nan 0.000 0.459 95 A N 1.168 123.973 122.820 -0.025 0.000 2.015 95 A HA -0.154 4.169 4.320 0.005 0.000 0.219 95 A C 0.893 178.481 177.584 0.007 0.000 1.163 95 A CA 0.410 52.469 52.037 0.037 0.000 0.646 95 A CB -0.590 18.518 19.000 0.179 0.000 0.806 95 A HN 0.312 nan 8.150 nan 0.000 0.448 96 Y N 2.440 122.550 120.300 -0.317 0.000 2.713 96 Y HA 0.167 4.720 4.550 0.005 0.000 0.341 96 Y C 0.213 175.953 175.900 -0.267 0.000 1.167 96 Y CA -0.177 57.657 58.100 -0.443 0.000 1.503 96 Y CB 0.371 38.360 38.460 -0.784 0.000 1.199 96 Y HN 0.451 nan 8.280 nan 0.000 0.525 97 D N 4.164 124.357 120.400 -0.346 0.000 2.620 97 D HA 0.034 4.677 4.640 0.005 0.000 0.260 97 D C -0.600 175.672 176.300 -0.045 0.000 1.367 97 D CA -0.382 53.560 54.000 -0.096 0.000 0.805 97 D CB -0.801 39.996 40.800 -0.005 0.000 1.096 97 D HN 0.125 nan 8.370 nan 0.000 0.488 98 F N 1.274 120.999 119.950 -0.375 0.000 2.553 98 F HA 0.265 4.794 4.527 0.005 0.000 0.356 98 F C 1.245 176.995 175.800 -0.082 0.000 1.142 98 F CA -0.843 57.013 58.000 -0.240 0.000 1.322 98 F CB 0.410 39.122 39.000 -0.480 0.000 1.126 98 F HN -0.084 nan 8.300 nan 0.000 0.599 99 I N 5.174 125.794 120.570 0.082 0.000 2.377 99 I HA 0.205 4.378 4.170 0.005 0.000 0.293 99 I C -1.724 174.393 176.117 0.001 0.000 0.987 99 I CA -1.712 59.546 61.300 -0.070 0.000 1.185 99 I CB 2.095 39.882 38.000 -0.356 0.000 1.341 99 I HN 0.364 nan 8.210 nan 0.000 0.455 100 P HA 0.072 nan 4.420 nan 0.000 0.257 100 P C 1.113 178.568 177.300 0.259 0.000 1.241 100 P CA 0.335 63.498 63.100 0.105 0.000 0.816 100 P CB 0.187 31.968 31.700 0.135 0.000 1.150 101 T N -0.527 114.214 114.554 0.312 0.000 2.849 101 T HA -0.127 4.226 4.350 0.005 0.000 0.270 101 T C 1.691 176.538 174.700 0.244 0.000 1.066 101 T CA 1.957 64.254 62.100 0.329 0.000 1.130 101 T CB -0.684 68.403 68.868 0.365 0.000 0.864 101 T HN 0.284 nan 8.240 nan 0.000 0.481 102 S N -0.066 115.812 115.700 0.297 0.000 2.575 102 S HA 0.317 4.790 4.470 0.005 0.000 0.215 102 S C 0.530 175.220 174.600 0.150 0.000 0.966 102 S CA -0.387 57.938 58.200 0.208 0.000 0.911 102 S CB -0.424 62.916 63.200 0.232 0.000 0.780 102 S HN 0.361 nan 8.310 nan 0.000 0.514 103 M N 1.865 121.580 119.600 0.192 0.000 2.537 103 M HA 0.507 4.990 4.480 0.005 0.000 0.324 103 M C -0.809 175.618 176.300 0.212 0.000 1.187 103 M CA -0.605 54.790 55.300 0.158 0.000 0.993 103 M CB 1.132 33.799 32.600 0.112 0.000 1.666 103 M HN 0.011 nan 8.290 nan 0.000 0.461 104 D N 1.647 122.124 120.400 0.127 0.000 2.272 104 D HA 0.509 5.151 4.640 0.005 0.000 0.247 104 D C -2.481 173.767 176.300 -0.087 0.000 0.990 104 D CA -1.126 52.918 54.000 0.072 0.000 0.931 104 D CB 1.584 42.448 40.800 0.108 0.000 1.195 104 D HN 0.199 nan 8.370 nan 0.000 0.477 105 P HA 0.117 nan 4.420 nan 0.000 0.272 105 P C -1.749 175.450 177.300 -0.169 0.000 1.230 105 P CA -0.947 61.953 63.100 -0.334 0.000 0.788 105 P CB 0.200 31.531 31.700 -0.614 0.000 0.949 106 P HA -0.111 nan 4.420 nan 0.000 0.222 106 P C 1.356 178.641 177.300 -0.026 0.000 1.153 106 P CA 1.091 64.164 63.100 -0.045 0.000 0.798 106 P CB 0.200 31.901 31.700 0.002 0.000 0.796 107 E N 0.628 120.837 120.200 0.015 0.000 2.086 107 E HA -0.273 4.080 4.350 0.005 0.000 0.200 107 E C 2.312 178.989 176.600 0.129 0.000 1.012 107 E CA 1.258 57.701 56.400 0.072 0.000 0.812 107 E CB -0.329 29.430 29.700 0.098 0.000 0.743 107 E HN 0.202 nan 8.360 nan 0.000 0.453 108 Q N 0.425 120.278 119.800 0.087 0.000 2.152 108 Q HA -0.249 4.094 4.340 0.005 0.000 0.206 108 Q C 2.140 178.190 176.000 0.083 0.000 0.985 108 Q CA 1.551 57.415 55.803 0.102 0.000 0.863 108 Q CB -0.067 28.623 28.738 -0.080 0.000 0.904 108 Q HN 0.299 nan 8.270 nan 0.000 0.422 109 R N 0.304 120.794 120.500 -0.017 0.000 2.103 109 R HA -0.212 4.131 4.340 0.005 0.000 0.242 109 R C 2.503 178.778 176.300 -0.042 0.000 1.142 109 R CA 1.984 58.055 56.100 -0.048 0.000 0.960 109 R CB -0.506 29.751 30.300 -0.072 0.000 0.858 109 R HN 0.607 nan 8.270 nan 0.000 0.439 110 Q N -0.219 119.525 119.800 -0.094 0.000 2.226 110 Q HA -0.127 4.216 4.340 0.005 0.000 0.204 110 Q C 1.534 177.400 176.000 -0.223 0.000 0.975 110 Q CA 1.415 57.094 55.803 -0.206 0.000 0.866 110 Q CB -0.302 28.228 28.738 -0.347 0.000 0.915 110 Q HN 0.298 nan 8.270 nan 0.000 0.440 111 F N 1.060 120.999 119.950 -0.020 0.000 2.456 111 F HA 0.143 4.673 4.527 0.005 0.000 0.298 111 F C 2.384 178.178 175.800 -0.011 0.000 1.104 111 F CA 0.465 58.460 58.000 -0.008 0.000 1.435 111 F CB -0.008 38.996 39.000 0.007 0.000 1.078 111 F HN -0.046 nan 8.300 nan 0.000 0.546 112 R N 0.018 120.590 120.500 0.120 0.000 2.092 112 R HA -0.070 4.273 4.340 0.005 0.000 0.231 112 R C 2.287 178.609 176.300 0.037 0.000 1.119 112 R CA 1.110 57.247 56.100 0.061 0.000 0.970 112 R CB -0.471 29.833 30.300 0.007 0.000 0.864 112 R HN 0.244 nan 8.270 nan 0.000 0.440 113 A N 0.241 123.068 122.820 0.012 0.000 2.119 113 A HA -0.056 4.267 4.320 0.005 0.000 0.216 113 A C 1.826 179.414 177.584 0.007 0.000 1.152 113 A CA 0.604 52.641 52.037 -0.001 0.000 0.708 113 A CB -0.060 18.927 19.000 -0.023 0.000 0.805 113 A HN 0.163 nan 8.150 nan 0.000 0.460 114 L N -0.789 120.449 121.223 0.025 0.000 2.127 114 L HA 0.146 4.489 4.340 0.005 0.000 0.203 114 L C 2.688 179.587 176.870 0.049 0.000 1.080 114 L CA 1.746 56.607 54.840 0.035 0.000 0.768 114 L CB -0.625 41.472 42.059 0.063 0.000 0.924 114 L HN 0.309 nan 8.230 nan 0.000 0.444 115 A N -0.689 122.171 122.820 0.067 0.000 1.930 115 A HA -0.214 4.109 4.320 0.005 0.000 0.217 115 A C 2.146 179.757 177.584 0.046 0.000 1.175 115 A CA 1.625 53.699 52.037 0.062 0.000 0.627 115 A CB -0.777 18.265 19.000 0.070 0.000 0.815 115 A HN 0.519 nan 8.150 nan 0.000 0.443 116 N N -0.075 118.647 118.700 0.037 0.000 2.149 116 N HA -0.201 4.542 4.740 0.005 0.000 0.188 116 N C 1.853 177.379 175.510 0.026 0.000 1.019 116 N CA 1.652 54.721 53.050 0.031 0.000 0.857 116 N CB -0.353 38.148 38.487 0.023 0.000 0.997 116 N HN 0.695 nan 8.380 nan 0.000 0.426 117 Q N 0.296 120.108 119.800 0.020 0.000 2.297 117 Q HA -0.058 4.285 4.340 0.005 0.000 0.204 117 Q C 1.455 177.464 176.000 0.016 0.000 0.962 117 Q CA 1.212 57.023 55.803 0.012 0.000 0.879 117 Q CB 0.304 29.045 28.738 0.006 0.000 0.947 117 Q HN 0.360 nan 8.270 nan 0.000 0.462 118 V N -1.810 118.120 119.914 0.027 0.000 3.307 118 V HA 0.048 4.170 4.120 0.005 0.000 0.253 118 V C 1.688 177.807 176.094 0.041 0.000 1.149 118 V CA 0.693 63.010 62.300 0.028 0.000 1.112 118 V CB 0.534 32.379 31.823 0.035 0.000 0.777 118 V HN 0.277 nan 8.190 nan 0.000 0.464 119 V N -2.425 117.519 119.914 0.050 0.000 3.398 119 V HA 0.717 4.840 4.120 0.005 0.000 0.298 119 V C 1.005 177.130 176.094 0.052 0.000 1.496 119 V CA 0.328 62.664 62.300 0.060 0.000 1.044 119 V CB -0.412 31.455 31.823 0.072 0.000 0.880 119 V HN 0.393 nan 8.190 nan 0.000 0.443 120 G N -0.380 108.450 108.800 0.050 0.000 2.516 120 G HA2 0.353 4.316 3.960 0.005 0.000 0.276 120 G HA3 0.353 4.316 3.960 0.005 0.000 0.276 120 G C 0.721 175.647 174.900 0.044 0.000 1.390 120 G CA -0.134 45.008 45.100 0.070 0.000 1.050 120 G HN -0.000 nan 8.290 nan 0.000 0.519 121 M N 0.435 120.033 119.600 -0.003 0.000 2.080 121 M HA -0.051 4.432 4.480 0.005 0.000 0.260 121 M C 0.231 176.512 176.300 -0.032 0.000 1.068 121 M CA 1.652 56.917 55.300 -0.057 0.000 1.109 121 M CB -1.992 30.502 32.600 -0.177 0.000 1.342 121 M HN 0.201 nan 8.290 nan 0.000 0.405 122 P HA -0.141 nan 4.420 nan 0.000 0.216 122 P C 1.888 179.183 177.300 -0.009 0.000 1.157 122 P CA 1.403 64.491 63.100 -0.020 0.000 0.880 122 P CB -0.223 31.466 31.700 -0.018 0.000 0.791 123 V N -0.818 119.094 119.914 -0.002 0.000 2.427 123 V HA -0.167 3.956 4.120 0.005 0.000 0.248 123 V C 2.513 178.611 176.094 0.007 0.000 1.051 123 V CA 1.473 63.774 62.300 0.002 0.000 1.048 123 V CB -1.150 30.677 31.823 0.007 0.000 0.666 123 V HN -0.036 nan 8.190 nan 0.000 0.456 124 V N 0.351 120.274 119.914 0.015 0.000 2.392 124 V HA -0.271 3.852 4.120 0.005 0.000 0.249 124 V C 2.291 178.395 176.094 0.016 0.000 1.059 124 V CA 2.197 64.510 62.300 0.022 0.000 1.051 124 V CB -0.669 31.176 31.823 0.037 0.000 0.658 124 V HN 0.568 nan 8.190 nan 0.000 0.455 125 D N -0.007 120.396 120.400 0.005 0.000 2.117 125 D HA -0.141 4.502 4.640 0.005 0.000 0.197 125 D C 2.253 178.556 176.300 0.004 0.000 0.987 125 D CA 1.164 55.166 54.000 0.003 0.000 0.829 125 D CB -0.198 40.598 40.800 -0.007 0.000 0.961 125 D HN 0.446 nan 8.370 nan 0.000 0.460 126 K N 0.164 120.564 120.400 -0.000 0.000 2.097 126 K HA -0.007 4.316 4.320 0.005 0.000 0.206 126 K C 1.992 178.593 176.600 0.001 0.000 1.049 126 K CA 0.561 56.846 56.287 -0.002 0.000 0.933 126 K CB -0.026 32.469 32.500 -0.008 0.000 0.717 126 K HN 0.157 nan 8.250 nan 0.000 0.442 127 L N 0.942 122.168 121.223 0.004 0.000 2.591 127 L HA -0.005 4.338 4.340 0.005 0.000 0.228 127 L C 2.252 179.136 176.870 0.024 0.000 1.133 127 L CA 0.110 54.954 54.840 0.006 0.000 0.880 127 L CB -0.196 41.863 42.059 -0.000 0.000 1.033 127 L HN 0.265 nan 8.230 nan 0.000 0.450 128 E N 0.952 121.169 120.200 0.028 0.000 2.049 128 E HA -0.279 4.074 4.350 0.005 0.000 0.198 128 E C 1.697 178.327 176.600 0.051 0.000 1.007 128 E CA 1.749 58.174 56.400 0.042 0.000 0.809 128 E CB 0.154 29.874 29.700 0.033 0.000 0.749 128 E HN 0.482 nan 8.360 nan 0.000 0.450 129 N N 0.300 119.023 118.700 0.038 0.000 2.069 129 N HA -0.145 4.598 4.740 0.005 0.000 0.191 129 N C 1.850 177.392 175.510 0.053 0.000 1.031 129 N CA 1.064 54.138 53.050 0.041 0.000 0.852 129 N CB -0.339 38.165 38.487 0.028 0.000 1.018 129 N HN 0.165 nan 8.380 nan 0.000 0.423 130 R N 0.991 121.518 120.500 0.045 0.000 2.096 130 R HA 0.044 4.387 4.340 0.005 0.000 0.235 130 R C 2.334 178.686 176.300 0.087 0.000 1.127 130 R CA 0.391 56.520 56.100 0.049 0.000 0.968 130 R CB -0.822 29.490 30.300 0.021 0.000 0.861 130 R HN 0.378 nan 8.270 nan 0.000 0.440 131 I N 0.874 121.504 120.570 0.101 0.000 2.179 131 I HA -0.319 3.854 4.170 0.005 0.000 0.242 131 I C 2.681 178.972 176.117 0.290 0.000 1.088 131 I CA 1.414 62.831 61.300 0.194 0.000 1.357 131 I CB -0.281 37.818 38.000 0.165 0.000 1.051 131 I HN 0.119 nan 8.210 nan 0.000 0.409 132 Q N 1.158 121.064 119.800 0.176 0.000 2.046 132 Q HA -0.251 4.092 4.340 0.005 0.000 0.200 132 Q C 2.154 178.226 176.000 0.120 0.000 0.975 132 Q CA 1.752 57.639 55.803 0.141 0.000 0.836 132 Q CB -0.268 28.526 28.738 0.093 0.000 0.896 132 Q HN 0.320 nan 8.270 nan 0.000 0.428 133 E N -0.135 120.126 120.200 0.101 0.000 2.058 133 E HA -0.198 4.155 4.350 0.005 0.000 0.194 133 E C 1.931 178.591 176.600 0.099 0.000 0.997 133 E CA 1.413 57.862 56.400 0.081 0.000 0.801 133 E CB -0.301 29.436 29.700 0.061 0.000 0.746 133 E HN 0.426 nan 8.360 nan 0.000 0.450 134 L N 0.748 122.058 121.223 0.145 0.000 2.083 134 L HA -0.068 4.274 4.340 0.005 0.000 0.209 134 L C 2.318 179.291 176.870 0.171 0.000 1.083 134 L CA 2.093 57.032 54.840 0.165 0.000 0.752 134 L CB -0.645 41.533 42.059 0.197 0.000 0.899 134 L HN 0.116 nan 8.230 nan 0.000 0.433 135 A N -1.406 121.512 122.820 0.163 0.000 1.933 135 A HA -0.213 4.110 4.320 0.005 0.000 0.218 135 A C 2.365 179.984 177.584 0.058 0.000 1.175 135 A CA 1.734 53.755 52.037 -0.027 0.000 0.628 135 A CB -1.404 17.477 19.000 -0.200 0.000 0.814 135 A HN 0.616 nan 8.150 nan 0.000 0.444 136 C N -1.043 118.284 119.300 0.045 0.000 2.453 136 C HA -0.054 4.409 4.460 0.005 0.000 0.277 136 C C 3.394 178.396 174.990 0.020 0.000 1.262 136 C CA 1.415 60.443 59.018 0.016 0.000 1.718 136 C CB -1.033 26.716 27.740 0.014 0.000 2.031 136 C HN 0.725 nan 8.230 nan 0.000 0.480 137 S N 0.207 115.932 115.700 0.041 0.000 2.383 137 S HA -0.052 4.421 4.470 0.005 0.000 0.227 137 S C 1.785 176.416 174.600 0.052 0.000 1.026 137 S CA 1.196 59.419 58.200 0.039 0.000 0.981 137 S CB -0.373 62.852 63.200 0.041 0.000 0.818 137 S HN 0.613 nan 8.310 nan 0.000 0.472 138 L N 0.761 122.036 121.223 0.086 0.000 2.005 138 L HA -0.029 4.314 4.340 0.005 0.000 0.207 138 L C 2.553 179.502 176.870 0.131 0.000 1.072 138 L CA 1.539 56.453 54.840 0.124 0.000 0.744 138 L CB -0.533 41.622 42.059 0.160 0.000 0.895 138 L HN 0.357 nan 8.230 nan 0.000 0.433 139 I N -0.265 120.368 120.570 0.105 0.000 2.226 139 I HA -0.284 3.888 4.170 0.005 0.000 0.245 139 I C 2.583 178.606 176.117 -0.157 0.000 1.100 139 I CA 1.222 62.462 61.300 -0.100 0.000 1.374 139 I CB -0.274 37.595 38.000 -0.217 0.000 1.057 139 I HN 0.296 nan 8.210 nan 0.000 0.413 140 E N 0.827 120.977 120.200 -0.084 0.000 2.110 140 E HA -0.202 4.150 4.350 0.005 0.000 0.193 140 E C 2.190 178.780 176.600 -0.016 0.000 0.988 140 E CA 1.539 57.899 56.400 -0.065 0.000 0.804 140 E CB -0.190 29.486 29.700 -0.040 0.000 0.745 140 E HN 0.191 nan 8.360 nan 0.000 0.458 141 S N -0.964 114.746 115.700 0.016 0.000 2.423 141 S HA 0.015 4.488 4.470 0.005 0.000 0.231 141 S C 1.636 176.278 174.600 0.070 0.000 1.014 141 S CA 0.819 59.044 58.200 0.041 0.000 0.965 141 S CB -0.129 63.102 63.200 0.051 0.000 0.785 141 S HN 0.326 nan 8.310 nan 0.000 0.495 142 L N 0.411 121.687 121.223 0.088 0.000 2.307 142 L HA 0.167 4.510 4.340 0.005 0.000 0.211 142 L C 2.536 179.591 176.870 0.308 0.000 1.099 142 L CA 0.338 55.295 54.840 0.195 0.000 0.816 142 L CB -0.412 41.802 42.059 0.257 0.000 0.952 142 L HN 0.214 nan 8.230 nan 0.000 0.455 143 R N 1.172 121.757 120.500 0.142 0.000 2.136 143 R HA -0.200 4.143 4.340 0.005 0.000 0.242 143 R C -0.514 175.990 176.300 0.340 0.000 1.131 143 R CA 2.377 58.574 56.100 0.161 0.000 0.937 143 R CB -1.322 28.937 30.300 -0.069 0.000 0.863 143 R HN 0.221 nan 8.270 nan 0.000 0.435 144 P HA -0.131 nan 4.420 nan 0.000 0.222 144 P C 0.558 177.886 177.300 0.047 0.000 1.147 144 P CA 1.390 64.554 63.100 0.106 0.000 0.790 144 P CB -0.153 31.578 31.700 0.051 0.000 0.780 145 Q N -0.895 118.919 119.800 0.024 0.000 2.224 145 Q HA 0.051 4.394 4.340 0.005 0.000 0.203 145 Q C 1.589 177.370 176.000 -0.366 0.000 0.970 145 Q CA 0.966 56.697 55.803 -0.121 0.000 0.865 145 Q CB -0.602 28.079 28.738 -0.095 0.000 0.922 145 Q HN 0.266 nan 8.270 nan 0.000 0.445 146 G N 1.541 109.915 108.800 -0.709 0.000 2.153 146 G HA2 -0.311 3.651 3.960 0.005 0.000 0.252 146 G HA3 -0.311 3.651 3.960 0.005 0.000 0.252 146 G C -0.149 173.769 174.900 -1.637 0.000 0.994 146 G CA 0.727 44.968 45.100 -1.431 0.000 0.698 146 G HN 0.476 nan 8.290 nan 0.000 0.521 147 Q N -2.040 116.777 119.800 -1.638 0.000 2.736 147 Q HA 0.576 4.919 4.340 0.005 0.000 0.273 147 Q C -0.410 175.415 176.000 -0.291 0.000 0.948 147 Q CA -0.788 54.505 55.803 -0.851 0.000 0.854 147 Q CB 0.983 29.500 28.738 -0.369 0.000 1.569 147 Q HN 1.434 nan 8.270 nan 0.000 0.405 148 C N -0.389 118.960 119.300 0.081 0.000 3.311 148 C HA 0.678 5.141 4.460 0.005 0.000 0.325 148 C C -1.390 173.733 174.990 0.221 0.000 1.352 148 C CA -0.842 58.324 59.018 0.247 0.000 1.308 148 C CB 1.593 29.622 27.740 0.481 0.000 1.619 148 C HN 0.893 nan 8.230 nan 0.000 0.469 149 N N 1.045 119.856 118.700 0.186 0.000 2.955 149 N HA 0.221 4.964 4.740 0.005 0.000 0.242 149 N C 0.177 175.800 175.510 0.189 0.000 1.123 149 N CA -0.314 52.830 53.050 0.157 0.000 0.949 149 N CB 0.712 39.255 38.487 0.094 0.000 1.214 149 N HN 0.764 nan 8.380 nan 0.000 0.504 150 F N 2.043 122.044 119.950 0.086 0.000 2.120 150 F HA -0.274 4.256 4.527 0.005 0.000 0.300 150 F C 2.470 178.302 175.800 0.055 0.000 1.095 150 F CA 1.626 59.663 58.000 0.062 0.000 1.249 150 F CB -0.075 38.887 39.000 -0.064 0.000 0.995 150 F HN 0.280 nan 8.300 nan 0.000 0.480 151 T N -0.810 113.808 114.554 0.107 0.000 2.720 151 T HA -0.291 4.062 4.350 0.005 0.000 0.268 151 T C 1.981 176.629 174.700 -0.087 0.000 1.037 151 T CA 1.966 64.058 62.100 -0.014 0.000 1.144 151 T CB -0.381 68.507 68.868 0.033 0.000 0.864 151 T HN 0.598 nan 8.240 nan 0.000 0.444 152 E N -0.661 119.517 120.200 -0.035 0.000 2.170 152 E HA -0.079 4.274 4.350 0.005 0.000 0.191 152 E C 1.399 177.980 176.600 -0.031 0.000 0.981 152 E CA 0.992 57.377 56.400 -0.024 0.000 0.830 152 E CB 0.089 29.797 29.700 0.013 0.000 0.775 152 E HN 0.403 nan 8.360 nan 0.000 0.470 153 D N -1.062 119.326 120.400 -0.020 0.000 2.333 153 D HA -0.028 4.615 4.640 0.005 0.000 0.208 153 D C 0.641 176.949 176.300 0.014 0.000 0.984 153 D CA 0.697 54.713 54.000 0.027 0.000 0.873 153 D CB 0.384 41.256 40.800 0.119 0.000 0.935 153 D HN 0.288 nan 8.370 nan 0.000 0.521 154 Y N -0.198 119.903 120.300 -0.330 0.000 3.006 154 Y HA 0.336 4.889 4.550 0.006 0.000 0.236 154 Y C 1.976 177.643 175.900 -0.389 0.000 1.088 154 Y CA 0.564 58.448 58.100 -0.361 0.000 1.307 154 Y CB -0.212 37.950 38.460 -0.497 0.000 1.445 154 Y HN -0.148 nan 8.280 nan 0.000 0.433 155 A N 0.962 123.464 122.820 -0.530 0.000 1.917 155 A HA -0.225 4.098 4.320 0.005 0.000 0.219 155 A C 1.819 179.340 177.584 -0.104 0.000 1.182 155 A CA 2.460 54.364 52.037 -0.222 0.000 0.633 155 A CB -0.614 18.279 19.000 -0.179 0.000 0.819 155 A HN 0.691 nan 8.150 nan 0.000 0.448 156 E N -0.834 119.289 120.200 -0.127 0.000 2.014 156 E HA -0.080 4.273 4.350 0.005 0.000 0.190 156 E C -0.558 175.990 176.600 -0.087 0.000 0.980 156 E CA 0.802 57.154 56.400 -0.080 0.000 0.807 156 E CB -0.657 29.008 29.700 -0.058 0.000 0.770 156 E HN 0.472 nan 8.360 nan 0.000 0.451 157 P HA -0.196 nan 4.420 nan 0.000 0.216 157 P C 1.319 178.558 177.300 -0.103 0.000 1.150 157 P CA 1.160 64.209 63.100 -0.085 0.000 0.837 157 P CB -0.085 31.574 31.700 -0.069 0.000 0.786 158 F N 2.613 122.336 119.950 -0.379 0.000 2.051 158 F HA -0.036 4.495 4.527 0.006 0.000 0.296 158 F C -0.916 174.785 175.800 -0.166 0.000 1.122 158 F CA 1.631 59.399 58.000 -0.387 0.000 1.201 158 F CB -1.937 36.558 39.000 -0.842 0.000 0.978 158 F HN -0.027 nan 8.300 nan 0.000 0.472 159 P HA -0.110 nan 4.420 nan 0.000 0.217 159 P C 2.046 179.250 177.300 -0.160 0.000 1.151 159 P CA 1.907 64.799 63.100 -0.348 0.000 0.828 159 P CB -0.160 31.453 31.700 -0.145 0.000 0.788 160 I N -0.641 119.869 120.570 -0.100 0.000 2.202 160 I HA -0.185 3.988 4.170 0.005 0.000 0.242 160 I C 2.493 178.614 176.117 0.005 0.000 1.091 160 I CA 1.395 62.687 61.300 -0.014 0.000 1.368 160 I CB -0.553 37.440 38.000 -0.012 0.000 1.058 160 I HN -0.144 nan 8.210 nan 0.000 0.410 161 R N 0.608 121.080 120.500 -0.047 0.000 2.115 161 R HA -0.073 4.270 4.340 0.005 0.000 0.230 161 R C 2.277 178.540 176.300 -0.061 0.000 1.111 161 R CA 1.033 57.110 56.100 -0.038 0.000 0.976 161 R CB -0.162 30.118 30.300 -0.033 0.000 0.870 161 R HN 0.307 nan 8.270 nan 0.000 0.445 162 I N 0.215 120.717 120.570 -0.115 0.000 2.226 162 I HA -0.263 3.910 4.170 0.005 0.000 0.245 162 I C 2.174 178.252 176.117 -0.065 0.000 1.100 162 I CA 1.309 62.541 61.300 -0.114 0.000 1.374 162 I CB -0.773 37.100 38.000 -0.212 0.000 1.057 162 I HN 0.073 nan 8.210 nan 0.000 0.413 163 F N 1.805 121.685 119.950 -0.117 0.000 2.102 163 F HA -0.232 4.298 4.527 0.004 0.000 0.298 163 F C 2.628 178.400 175.800 -0.047 0.000 1.105 163 F CA 1.639 59.593 58.000 -0.077 0.000 1.239 163 F CB -0.156 38.798 39.000 -0.075 0.000 0.991 163 F HN -0.092 nan 8.300 nan 0.000 0.474 164 M N -0.372 119.148 119.600 -0.134 0.000 2.213 164 M HA -0.162 4.321 4.480 0.005 0.000 0.263 164 M C 2.271 178.464 176.300 -0.178 0.000 1.062 164 M CA 1.245 56.458 55.300 -0.145 0.000 1.105 164 M CB -1.556 31.037 32.600 -0.012 0.000 1.385 164 M HN 0.360 nan 8.290 nan 0.000 0.417 165 L N 0.756 121.891 121.223 -0.146 0.000 2.017 165 L HA -0.156 4.187 4.340 0.005 0.000 0.208 165 L C 2.299 179.071 176.870 -0.164 0.000 1.073 165 L CA 1.479 56.247 54.840 -0.121 0.000 0.745 165 L CB -0.874 41.135 42.059 -0.084 0.000 0.894 165 L HN 0.235 nan 8.230 nan 0.000 0.432 166 L N -0.062 121.021 121.223 -0.234 0.000 2.083 166 L HA -0.032 4.311 4.340 0.005 0.000 0.209 166 L C 2.294 178.986 176.870 -0.296 0.000 1.083 166 L CA 2.022 56.716 54.840 -0.244 0.000 0.752 166 L CB -0.933 40.965 42.059 -0.268 0.000 0.899 166 L HN 0.270 nan 8.230 nan 0.000 0.433 167 A N -0.857 121.687 122.820 -0.460 0.000 2.169 167 A HA 0.338 4.661 4.320 0.005 0.000 0.212 167 A C 1.692 179.169 177.584 -0.178 0.000 1.153 167 A CA 0.598 52.414 52.037 -0.368 0.000 0.756 167 A CB -1.004 17.681 19.000 -0.524 0.000 0.813 167 A HN 0.889 nan 8.150 nan 0.000 0.471 168 G N -0.828 107.880 108.800 -0.154 0.000 2.246 168 G HA2 -0.209 3.754 3.960 0.005 0.000 0.273 168 G HA3 -0.209 3.754 3.960 0.005 0.000 0.273 168 G C -0.098 174.773 174.900 -0.049 0.000 1.055 168 G CA 0.523 45.573 45.100 -0.083 0.000 0.851 168 G HN 0.461 nan 8.290 nan 0.000 0.500 169 L N 0.223 121.421 121.223 -0.042 0.000 2.325 169 L HA 0.511 4.854 4.340 0.005 0.000 0.278 169 L C -1.804 175.085 176.870 0.032 0.000 1.023 169 L CA -2.420 52.437 54.840 0.029 0.000 0.811 169 L CB 1.841 43.953 42.059 0.089 0.000 1.249 169 L HN -0.089 nan 8.230 nan 0.000 0.431 170 P HA 0.112 nan 4.420 nan 0.000 0.275 170 P C -0.100 177.230 177.300 0.050 0.000 1.227 170 P CA -0.269 62.857 63.100 0.043 0.000 0.781 170 P CB 0.651 32.378 31.700 0.046 0.000 0.906 171 E N 1.141 121.359 120.200 0.031 0.000 2.338 171 E HA -0.161 4.192 4.350 0.005 0.000 0.197 171 E C 0.304 176.926 176.600 0.036 0.000 1.007 171 E CA 0.933 57.351 56.400 0.029 0.000 0.849 171 E CB -0.049 29.661 29.700 0.016 0.000 0.774 171 E HN 0.586 nan 8.360 nan 0.000 0.506 172 E N 0.578 120.802 120.200 0.040 0.000 2.465 172 E HA -0.018 4.335 4.350 0.005 0.000 0.191 172 E C 0.403 177.038 176.600 0.059 0.000 1.053 172 E CA 0.226 56.650 56.400 0.041 0.000 0.869 172 E CB 0.174 29.891 29.700 0.029 0.000 0.977 172 E HN 0.085 nan 8.360 nan 0.000 0.483 173 D N 0.137 120.586 120.400 0.082 0.000 2.340 173 D HA 0.086 4.729 4.640 0.005 0.000 0.220 173 D C 1.437 177.776 176.300 0.066 0.000 1.039 173 D CA 0.157 54.221 54.000 0.107 0.000 0.866 173 D CB 0.120 41.037 40.800 0.196 0.000 0.913 173 D HN 0.247 nan 8.370 nan 0.000 0.523 174 I N 1.471 122.071 120.570 0.051 0.000 2.127 174 I HA -0.212 3.961 4.170 0.005 0.000 0.241 174 I C -0.583 175.555 176.117 0.034 0.000 1.075 174 I CA 1.236 62.556 61.300 0.032 0.000 1.334 174 I CB -1.128 36.888 38.000 0.026 0.000 1.040 174 I HN 0.011 nan 8.210 nan 0.000 0.405 175 P HA -0.215 nan 4.420 nan 0.000 0.215 175 P C 1.462 178.817 177.300 0.091 0.000 1.157 175 P CA 1.673 64.809 63.100 0.060 0.000 0.868 175 P CB -0.078 31.653 31.700 0.052 0.000 0.788 176 H N -0.417 118.653 119.070 0.000 0.000 2.293 176 H HA -0.050 4.509 4.556 0.005 0.000 0.300 176 H C 1.835 177.156 175.328 -0.013 0.000 1.082 176 H CA 1.549 57.598 56.048 0.003 0.000 1.308 176 H CB -0.966 28.784 29.762 -0.019 0.000 1.375 176 H HN -0.071 nan 8.280 nan 0.000 0.495 177 L N -0.044 121.095 121.223 -0.141 0.000 2.046 177 L HA -0.147 4.196 4.340 0.005 0.000 0.208 177 L C 2.503 179.278 176.870 -0.158 0.000 1.077 177 L CA 1.676 56.372 54.840 -0.240 0.000 0.747 177 L CB -0.408 41.517 42.059 -0.223 0.000 0.896 177 L HN 0.237 nan 8.230 nan 0.000 0.432 178 K N -0.208 120.149 120.400 -0.071 0.000 2.155 178 K HA -0.225 4.098 4.320 0.005 0.000 0.203 178 K C 2.087 178.653 176.600 -0.055 0.000 1.052 178 K CA 1.243 57.498 56.287 -0.055 0.000 0.948 178 K CB -0.515 31.973 32.500 -0.020 0.000 0.728 178 K HN 0.211 nan 8.250 nan 0.000 0.448 179 Y N 0.904 121.129 120.300 -0.126 0.000 2.097 179 Y HA -0.172 4.381 4.550 0.005 0.000 0.282 179 Y C 1.541 177.352 175.900 -0.148 0.000 1.152 179 Y CA 2.032 60.061 58.100 -0.118 0.000 1.136 179 Y CB -0.232 38.154 38.460 -0.123 0.000 0.975 179 Y HN 0.018 nan 8.280 nan 0.000 0.498 180 L N -0.498 120.583 121.223 -0.237 0.000 2.027 180 L HA -0.201 4.142 4.340 0.005 0.000 0.206 180 L C 2.647 179.351 176.870 -0.278 0.000 1.074 180 L CA 1.907 56.560 54.840 -0.312 0.000 0.745 180 L CB -1.377 40.505 42.059 -0.295 0.000 0.898 180 L HN 0.375 nan 8.230 nan 0.000 0.433 181 T N -3.518 110.915 114.554 -0.201 0.000 2.720 181 T HA -0.221 4.132 4.350 0.005 0.000 0.268 181 T C 1.455 176.090 174.700 -0.108 0.000 1.037 181 T CA 1.633 63.657 62.100 -0.127 0.000 1.144 181 T CB -0.454 68.356 68.868 -0.097 0.000 0.864 181 T HN 0.164 nan 8.240 nan 0.000 0.444 182 D N 0.849 121.155 120.400 -0.158 0.000 2.310 182 D HA -0.002 4.640 4.640 0.005 0.000 0.212 182 D C 2.202 178.404 176.300 -0.165 0.000 0.965 182 D CA 0.504 54.425 54.000 -0.131 0.000 0.879 182 D CB -0.184 40.531 40.800 -0.142 0.000 0.921 182 D HN 0.347 nan 8.370 nan 0.000 0.510 183 Q N -0.792 118.842 119.800 -0.276 0.000 2.432 183 Q HA 0.158 4.500 4.340 0.005 0.000 0.205 183 Q C 1.704 177.660 176.000 -0.074 0.000 0.945 183 Q CA 0.283 55.940 55.803 -0.243 0.000 0.924 183 Q CB -0.005 28.512 28.738 -0.368 0.000 1.016 183 Q HN 0.415 nan 8.270 nan 0.000 0.503 184 M N -0.497 119.098 119.600 -0.010 0.000 2.541 184 M HA -0.006 4.477 4.480 0.005 0.000 0.252 184 M C 1.312 177.848 176.300 0.393 0.000 1.125 184 M CA 1.277 56.713 55.300 0.227 0.000 1.091 184 M CB 0.337 33.020 32.600 0.139 0.000 1.420 184 M HN 0.221 nan 8.290 nan 0.000 0.486 185 T N -3.285 111.398 114.554 0.215 0.000 3.010 185 T HA 0.229 4.582 4.350 0.005 0.000 0.252 185 T C 0.998 175.827 174.700 0.217 0.000 0.963 185 T CA -0.327 61.891 62.100 0.196 0.000 0.952 185 T CB 0.365 69.309 68.868 0.126 0.000 1.182 185 T HN 0.177 nan 8.240 nan 0.000 0.495 186 R N 2.598 123.180 120.500 0.136 0.000 2.681 186 R HA 0.353 4.696 4.340 0.005 0.000 0.277 186 R C -2.895 173.417 176.300 0.020 0.000 1.563 186 R CA -1.826 54.352 56.100 0.130 0.000 1.673 186 R CB 1.307 31.671 30.300 0.106 0.000 1.258 186 R HN 0.369 nan 8.270 nan 0.000 0.650 187 P HA -0.046 nan 4.420 nan 0.000 0.263 187 P C -0.325 176.924 177.300 -0.084 0.000 1.195 187 P CA 0.269 63.308 63.100 -0.102 0.000 0.762 187 P CB 0.912 32.516 31.700 -0.160 0.000 0.799 188 D N 2.228 122.595 120.400 -0.056 0.000 2.348 188 D HA 0.052 4.695 4.640 0.005 0.000 0.211 188 D C 1.428 177.720 176.300 -0.014 0.000 0.998 188 D CA 0.777 54.767 54.000 -0.017 0.000 0.873 188 D CB -0.212 40.600 40.800 0.021 0.000 0.925 188 D HN 0.569 nan 8.370 nan 0.000 0.524 189 G N 0.051 108.834 108.800 -0.029 0.000 2.391 189 G HA2 -0.337 3.626 3.960 0.005 0.000 0.204 189 G HA3 -0.337 3.626 3.960 0.005 0.000 0.204 189 G C 1.371 176.274 174.900 0.005 0.000 1.012 189 G CA 0.608 45.697 45.100 -0.019 0.000 0.651 189 G HN 0.524 nan 8.290 nan 0.000 0.494 190 S N -0.110 115.610 115.700 0.033 0.000 2.368 190 S HA 0.297 4.770 4.470 0.005 0.000 0.225 190 S C 1.158 175.789 174.600 0.052 0.000 1.030 190 S CA 1.486 59.722 58.200 0.061 0.000 0.999 190 S CB 0.005 63.279 63.200 0.123 0.000 0.844 190 S HN 0.549 nan 8.310 nan 0.000 0.459 191 M N 1.877 121.496 119.600 0.031 0.000 2.535 191 M HA 0.363 4.846 4.480 0.005 0.000 0.314 191 M C -0.241 176.051 176.300 -0.014 0.000 1.153 191 M CA -0.597 54.708 55.300 0.009 0.000 0.924 191 M CB 2.479 35.076 32.600 -0.006 0.000 1.710 191 M HN 0.275 nan 8.290 nan 0.000 0.451 192 T N -1.230 113.323 114.554 -0.001 0.000 2.882 192 T HA 0.213 4.566 4.350 0.005 0.000 0.287 192 T C 0.742 175.463 174.700 0.036 0.000 1.014 192 T CA -0.519 61.598 62.100 0.027 0.000 1.049 192 T CB 0.655 69.549 68.868 0.042 0.000 1.001 192 T HN 0.590 nan 8.240 nan 0.000 0.525 193 F N 1.746 121.677 119.950 -0.031 0.000 2.120 193 F HA -0.034 4.496 4.527 0.005 0.000 0.300 193 F C 2.478 178.232 175.800 -0.077 0.000 1.095 193 F CA 1.872 59.855 58.000 -0.028 0.000 1.249 193 F CB -0.907 38.111 39.000 0.030 0.000 0.995 193 F HN 0.740 nan 8.300 nan 0.000 0.480 194 A N -0.230 122.652 122.820 0.104 0.000 1.969 194 A HA -0.162 4.161 4.320 0.005 0.000 0.218 194 A C 2.092 179.601 177.584 -0.126 0.000 1.169 194 A CA 1.742 53.769 52.037 -0.016 0.000 0.635 194 A CB -0.777 18.263 19.000 0.067 0.000 0.810 194 A HN 0.560 nan 8.150 nan 0.000 0.445 195 E N -0.238 119.909 120.200 -0.088 0.000 2.072 195 E HA -0.031 4.322 4.350 0.005 0.000 0.191 195 E C 2.344 178.866 176.600 -0.129 0.000 0.985 195 E CA 0.873 57.229 56.400 -0.073 0.000 0.801 195 E CB -0.275 29.410 29.700 -0.025 0.000 0.750 195 E HN 0.603 nan 8.360 nan 0.000 0.452 196 A N 1.763 124.461 122.820 -0.202 0.000 1.865 196 A HA -0.280 4.043 4.320 0.005 0.000 0.217 196 A C 2.078 179.439 177.584 -0.371 0.000 1.191 196 A CA 1.874 53.748 52.037 -0.271 0.000 0.623 196 A CB -0.467 18.330 19.000 -0.337 0.000 0.826 196 A HN 0.087 nan 8.150 nan 0.000 0.444 197 K N -0.759 119.294 120.400 -0.579 0.000 2.026 197 K HA -0.181 4.142 4.320 0.005 0.000 0.208 197 K C 1.845 178.114 176.600 -0.552 0.000 1.048 197 K CA 1.570 57.440 56.287 -0.696 0.000 0.929 197 K CB -0.135 31.836 32.500 -0.882 0.000 0.713 197 K HN 0.388 nan 8.250 nan 0.000 0.439 198 E N 0.146 120.158 120.200 -0.312 0.000 2.150 198 E HA -0.125 4.228 4.350 0.005 0.000 0.193 198 E C 1.827 178.417 176.600 -0.017 0.000 0.985 198 E CA 0.973 57.308 56.400 -0.108 0.000 0.814 198 E CB -0.071 29.613 29.700 -0.026 0.000 0.752 198 E HN 0.430 nan 8.360 nan 0.000 0.466 199 A N 0.719 123.512 122.820 -0.046 0.000 2.015 199 A HA -0.108 4.215 4.320 0.005 0.000 0.219 199 A C 2.208 179.841 177.584 0.081 0.000 1.163 199 A CA 0.779 52.845 52.037 0.048 0.000 0.646 199 A CB -0.360 18.665 19.000 0.042 0.000 0.806 199 A HN 0.200 nan 8.150 nan 0.000 0.448 200 L N -1.820 119.383 121.223 -0.032 0.000 2.095 200 L HA -0.041 4.302 4.340 0.005 0.000 0.204 200 L C 2.287 179.313 176.870 0.260 0.000 1.080 200 L CA 1.373 56.240 54.840 0.045 0.000 0.759 200 L CB -0.442 41.578 42.059 -0.065 0.000 0.914 200 L HN 0.441 nan 8.230 nan 0.000 0.439 201 Y N -0.319 120.047 120.300 0.111 0.000 2.181 201 Y HA -0.269 4.284 4.550 0.005 0.000 0.288 201 Y C 2.519 178.483 175.900 0.107 0.000 1.146 201 Y CA 1.194 59.355 58.100 0.103 0.000 1.164 201 Y CB -1.085 37.413 38.460 0.065 0.000 0.982 201 Y HN 0.357 nan 8.280 nan 0.000 0.515 202 D N -0.969 119.595 120.400 0.274 0.000 2.104 202 D HA -0.273 4.370 4.640 0.005 0.000 0.194 202 D C 2.204 178.617 176.300 0.187 0.000 0.994 202 D CA 1.436 55.547 54.000 0.186 0.000 0.830 202 D CB -0.551 40.343 40.800 0.158 0.000 0.959 202 D HN 0.340 nan 8.370 nan 0.000 0.452 203 Y N 0.563 120.939 120.300 0.127 0.000 2.097 203 Y HA -0.141 4.412 4.550 0.005 0.000 0.282 203 Y C 2.104 178.061 175.900 0.095 0.000 1.152 203 Y CA 1.665 59.832 58.100 0.112 0.000 1.136 203 Y CB -0.338 38.219 38.460 0.162 0.000 0.975 203 Y HN 0.032 nan 8.280 nan 0.000 0.498 204 L N -0.410 120.965 121.223 0.253 0.000 2.217 204 L HA -0.178 4.165 4.340 0.005 0.000 0.211 204 L C 2.311 179.188 176.870 0.012 0.000 1.107 204 L CA 0.745 55.658 54.840 0.121 0.000 0.783 204 L CB -0.448 41.741 42.059 0.217 0.000 0.919 204 L HN 0.326 nan 8.230 nan 0.000 0.442 205 I N 0.446 121.030 120.570 0.023 0.000 2.091 205 I HA -0.261 3.912 4.170 0.005 0.000 0.239 205 I C -0.148 175.946 176.117 -0.038 0.000 1.061 205 I CA 1.711 63.006 61.300 -0.008 0.000 1.317 205 I CB -1.687 36.318 38.000 0.009 0.000 1.031 205 I HN 0.258 nan 8.210 nan 0.000 0.401 206 P HA -0.146 nan 4.420 nan 0.000 0.216 206 P C 1.888 179.140 177.300 -0.079 0.000 1.153 206 P CA 1.733 64.792 63.100 -0.068 0.000 0.848 206 P CB -0.170 31.481 31.700 -0.081 0.000 0.787 207 I N -0.513 119.989 120.570 -0.113 0.000 2.127 207 I HA -0.237 3.936 4.170 0.005 0.000 0.241 207 I C 2.673 178.755 176.117 -0.057 0.000 1.075 207 I CA 1.512 62.751 61.300 -0.101 0.000 1.334 207 I CB -0.890 37.026 38.000 -0.139 0.000 1.040 207 I HN -0.163 nan 8.210 nan 0.000 0.405 208 I N 0.740 121.285 120.570 -0.042 0.000 2.151 208 I HA -0.313 3.860 4.170 0.005 0.000 0.243 208 I C 2.708 178.809 176.117 -0.028 0.000 1.080 208 I CA 1.662 62.946 61.300 -0.027 0.000 1.339 208 I CB -0.437 37.549 38.000 -0.024 0.000 1.039 208 I HN 0.295 nan 8.210 nan 0.000 0.409 209 E N 0.832 121.014 120.200 -0.031 0.000 2.072 209 E HA -0.258 4.095 4.350 0.005 0.000 0.191 209 E C 2.120 178.704 176.600 -0.027 0.000 0.985 209 E CA 1.383 57.767 56.400 -0.027 0.000 0.801 209 E CB -0.262 29.422 29.700 -0.027 0.000 0.750 209 E HN 0.278 nan 8.360 nan 0.000 0.452 210 Q N 0.650 120.430 119.800 -0.034 0.000 2.084 210 Q HA -0.107 4.236 4.340 0.005 0.000 0.202 210 Q C 1.942 177.925 176.000 -0.029 0.000 0.978 210 Q CA 1.599 57.382 55.803 -0.033 0.000 0.844 210 Q CB -0.104 28.610 28.738 -0.041 0.000 0.898 210 Q HN 0.304 nan 8.270 nan 0.000 0.426 211 R N -0.605 119.878 120.500 -0.029 0.000 2.307 211 R HA 0.069 4.412 4.340 0.005 0.000 0.199 211 R C 2.189 178.478 176.300 -0.019 0.000 1.000 211 R CA 0.284 56.370 56.100 -0.024 0.000 1.023 211 R CB 0.056 30.341 30.300 -0.025 0.000 0.908 211 R HN 0.101 nan 8.270 nan 0.000 0.473 212 R N 0.155 120.644 120.500 -0.018 0.000 2.153 212 R HA -0.012 4.331 4.340 0.005 0.000 0.218 212 R C 1.862 178.154 176.300 -0.014 0.000 1.072 212 R CA 0.779 56.871 56.100 -0.014 0.000 0.990 212 R CB 0.249 30.542 30.300 -0.013 0.000 0.889 212 R HN 0.121 nan 8.270 nan 0.000 0.452 213 Q N 0.256 120.046 119.800 -0.016 0.000 2.137 213 Q HA 0.016 4.359 4.340 0.005 0.000 0.198 213 Q C 0.342 176.333 176.000 -0.015 0.000 0.960 213 Q CA 1.174 56.968 55.803 -0.015 0.000 0.847 213 Q CB 0.396 29.125 28.738 -0.016 0.000 0.915 213 Q HN 0.057 nan 8.270 nan 0.000 0.448 214 K N 1.164 121.554 120.400 -0.017 0.000 2.679 214 K HA 0.312 4.635 4.320 0.005 0.000 0.188 214 K C -2.598 173.992 176.600 -0.017 0.000 1.055 214 K CA -1.647 54.630 56.287 -0.017 0.000 1.006 214 K CB 1.548 34.037 32.500 -0.018 0.000 1.317 214 K HN -0.064 nan 8.250 nan 0.000 0.584 215 P HA -0.021 nan 4.420 nan 0.000 0.264 215 P C 0.057 177.347 177.300 -0.017 0.000 1.193 215 P CA 0.146 63.236 63.100 -0.016 0.000 0.763 215 P CB 1.094 32.786 31.700 -0.013 0.000 0.810 216 G N 1.047 109.836 108.800 -0.019 0.000 3.107 216 G HA2 0.452 4.415 3.960 0.005 0.000 0.232 216 G HA3 0.452 4.415 3.960 0.005 0.000 0.232 216 G C 0.566 175.453 174.900 -0.022 0.000 1.339 216 G CA -0.199 44.888 45.100 -0.021 0.000 1.033 216 G HN 0.396 nan 8.290 nan 0.000 0.567 217 T N -1.702 112.837 114.554 -0.025 0.000 3.022 217 T HA 0.148 4.501 4.350 0.005 0.000 0.250 217 T C 0.671 175.350 174.700 -0.034 0.000 1.060 217 T CA 0.579 62.663 62.100 -0.027 0.000 1.013 217 T CB -0.217 68.636 68.868 -0.026 0.000 0.982 217 T HN 0.603 nan 8.240 nan 0.000 0.508 218 D N 1.311 121.686 120.400 -0.042 0.000 2.360 218 D HA 0.299 4.942 4.640 0.005 0.000 0.242 218 D C 1.490 177.757 176.300 -0.054 0.000 1.184 218 D CA 0.042 54.006 54.000 -0.059 0.000 0.930 218 D CB 1.487 42.247 40.800 -0.065 0.000 1.161 218 D HN 0.111 nan 8.370 nan 0.000 0.447 219 A N 1.782 124.556 122.820 -0.077 0.000 1.948 219 A HA -0.183 4.140 4.320 0.005 0.000 0.220 219 A C 2.359 179.929 177.584 -0.023 0.000 1.177 219 A CA 1.271 53.276 52.037 -0.053 0.000 0.636 219 A CB -0.749 18.198 19.000 -0.087 0.000 0.815 219 A HN 0.690 nan 8.150 nan 0.000 0.449 220 I N -0.573 119.981 120.570 -0.028 0.000 2.315 220 I HA -0.184 3.989 4.170 0.005 0.000 0.248 220 I C 2.596 178.710 176.117 -0.006 0.000 1.117 220 I CA 1.307 62.605 61.300 -0.004 0.000 1.404 220 I CB -0.279 37.722 38.000 0.002 0.000 1.071 220 I HN 0.219 nan 8.210 nan 0.000 0.419 221 S N 0.822 116.512 115.700 -0.017 0.000 2.383 221 S HA -0.081 4.392 4.470 0.005 0.000 0.227 221 S C 2.008 176.604 174.600 -0.008 0.000 1.026 221 S CA 0.983 59.175 58.200 -0.015 0.000 0.981 221 S CB -0.108 63.080 63.200 -0.020 0.000 0.818 221 S HN 0.262 nan 8.310 nan 0.000 0.472 222 I N 1.286 121.851 120.570 -0.008 0.000 2.252 222 I HA -0.079 4.094 4.170 0.005 0.000 0.245 222 I C 2.297 178.420 176.117 0.009 0.000 1.102 222 I CA 0.974 62.273 61.300 -0.002 0.000 1.385 222 I CB -1.507 36.491 38.000 -0.003 0.000 1.064 222 I HN 0.148 nan 8.210 nan 0.000 0.414 223 V N 1.389 121.313 119.914 0.016 0.000 2.295 223 V HA -0.234 3.889 4.120 0.005 0.000 0.246 223 V C 2.749 178.860 176.094 0.029 0.000 1.049 223 V CA 1.896 64.214 62.300 0.031 0.000 1.024 223 V CB -1.022 30.823 31.823 0.037 0.000 0.648 223 V HN 0.464 nan 8.190 nan 0.000 0.447 224 A N -0.050 122.779 122.820 0.016 0.000 2.014 224 A HA -0.106 4.216 4.320 0.005 0.000 0.218 224 A C 1.643 179.231 177.584 0.007 0.000 1.163 224 A CA 1.651 53.694 52.037 0.010 0.000 0.652 224 A CB -0.496 18.504 19.000 0.000 0.000 0.808 224 A HN 0.663 nan 8.150 nan 0.000 0.449 225 N N -0.553 118.150 118.700 0.004 0.000 2.275 225 N HA 0.328 5.071 4.740 0.005 0.000 0.236 225 N C 0.484 175.995 175.510 0.001 0.000 1.154 225 N CA 0.339 53.389 53.050 0.000 0.000 0.866 225 N CB 0.853 39.337 38.487 -0.005 0.000 1.093 225 N HN 0.393 nan 8.380 nan 0.000 0.515 226 G N -0.246 108.559 108.800 0.008 0.000 2.522 226 G HA2 0.419 4.382 3.960 0.005 0.000 0.304 226 G HA3 0.419 4.382 3.960 0.005 0.000 0.304 226 G C -0.528 174.369 174.900 -0.004 0.000 1.210 226 G CA -0.321 44.782 45.100 0.005 0.000 0.960 226 G HN 0.098 nan 8.290 nan 0.000 0.497 227 Q N -1.442 118.346 119.800 -0.020 0.000 2.345 227 Q HA 0.533 4.876 4.340 0.005 0.000 0.268 227 Q C -0.901 175.051 176.000 -0.080 0.000 1.054 227 Q CA -0.849 54.929 55.803 -0.043 0.000 0.835 227 Q CB 2.767 31.480 28.738 -0.041 0.000 1.339 227 Q HN 0.430 nan 8.270 nan 0.000 0.447 228 V N 0.413 120.251 119.914 -0.127 0.000 2.349 228 V HA 0.359 4.482 4.120 0.005 0.000 0.284 228 V C -0.477 175.494 176.094 -0.205 0.000 1.014 228 V CA -1.163 60.991 62.300 -0.243 0.000 0.826 228 V CB 1.002 32.538 31.823 -0.478 0.000 1.009 228 V HN 0.817 nan 8.190 nan 0.000 0.431 229 N N 3.833 122.435 118.700 -0.163 0.000 2.686 229 N HA -0.198 4.545 4.740 0.005 0.000 0.261 229 N C 1.393 176.849 175.510 -0.089 0.000 1.001 229 N CA 1.934 54.914 53.050 -0.117 0.000 0.764 229 N CB -1.069 37.345 38.487 -0.122 0.000 0.898 229 N HN 1.786 nan 8.380 nan 0.000 0.544 230 G N -1.751 107.004 108.800 -0.074 0.000 2.245 230 G HA2 -0.400 3.563 3.960 0.005 0.000 0.264 230 G HA3 -0.400 3.563 3.960 0.005 0.000 0.264 230 G C 0.162 175.031 174.900 -0.052 0.000 0.985 230 G CA 0.961 46.028 45.100 -0.055 0.000 0.625 230 G HN 0.894 nan 8.290 nan 0.000 0.536 231 R N -0.007 120.454 120.500 -0.064 0.000 2.787 231 R HA 0.769 5.111 4.340 0.005 0.000 0.271 231 R C -3.125 173.149 176.300 -0.044 0.000 0.993 231 R CA -2.553 53.518 56.100 -0.048 0.000 0.993 231 R CB 0.297 30.572 30.300 -0.042 0.000 1.155 231 R HN 0.094 nan 8.270 nan 0.000 0.486 232 P HA 0.073 nan 4.420 nan 0.000 0.271 232 P C -0.416 176.885 177.300 0.002 0.000 1.216 232 P CA -0.226 62.867 63.100 -0.012 0.000 0.771 232 P CB 0.518 32.215 31.700 -0.006 0.000 0.864 233 I N 2.487 123.068 120.570 0.018 0.000 2.638 233 I HA 0.137 4.310 4.170 0.005 0.000 0.286 233 I C 0.742 176.891 176.117 0.053 0.000 1.088 233 I CA -0.017 61.321 61.300 0.063 0.000 1.397 233 I CB 0.897 38.952 38.000 0.091 0.000 1.414 233 I HN 0.403 nan 8.210 nan 0.000 0.566 234 T N 2.145 116.739 114.554 0.067 0.000 2.847 234 T HA 0.218 4.571 4.350 0.005 0.000 0.279 234 T C 1.055 175.764 174.700 0.016 0.000 0.984 234 T CA -0.435 61.685 62.100 0.034 0.000 0.988 234 T CB 1.462 70.349 68.868 0.032 0.000 1.040 234 T HN 0.650 nan 8.240 nan 0.000 0.528 235 S N 0.287 115.984 115.700 -0.004 0.000 2.382 235 S HA -0.128 4.345 4.470 0.005 0.000 0.228 235 S C 1.675 176.244 174.600 -0.052 0.000 1.027 235 S CA 1.571 59.757 58.200 -0.024 0.000 0.991 235 S CB -0.636 62.548 63.200 -0.027 0.000 0.823 235 S HN 0.970 nan 8.310 nan 0.000 0.469 236 D N 1.008 121.376 120.400 -0.054 0.000 2.149 236 D HA -0.108 4.535 4.640 0.005 0.000 0.201 236 D C 1.841 178.078 176.300 -0.106 0.000 0.972 236 D CA 1.041 54.983 54.000 -0.098 0.000 0.835 236 D CB -0.057 40.699 40.800 -0.073 0.000 0.966 236 D HN 0.466 nan 8.370 nan 0.000 0.476 237 E N -0.004 120.169 120.200 -0.045 0.000 2.150 237 E HA -0.078 4.275 4.350 0.005 0.000 0.193 237 E C 2.144 178.721 176.600 -0.039 0.000 0.985 237 E CA 0.781 57.153 56.400 -0.045 0.000 0.814 237 E CB -0.109 29.641 29.700 0.083 0.000 0.752 237 E HN 0.378 nan 8.360 nan 0.000 0.466 238 A N 2.137 124.947 122.820 -0.017 0.000 1.902 238 A HA -0.232 4.091 4.320 0.005 0.000 0.217 238 A C 2.116 179.673 177.584 -0.045 0.000 1.181 238 A CA 1.619 53.651 52.037 -0.007 0.000 0.623 238 A CB -0.401 18.599 19.000 0.001 0.000 0.818 238 A HN 0.090 nan 8.150 nan 0.000 0.443 239 K N -0.248 120.086 120.400 -0.110 0.000 2.057 239 K HA -0.173 4.150 4.320 0.005 0.000 0.207 239 K C 2.169 178.652 176.600 -0.195 0.000 1.049 239 K CA 1.537 57.712 56.287 -0.187 0.000 0.931 239 K CB -0.208 32.081 32.500 -0.350 0.000 0.714 239 K HN 0.442 nan 8.250 nan 0.000 0.440 240 R N 0.075 120.454 120.500 -0.201 0.000 2.115 240 R HA -0.061 4.282 4.340 0.005 0.000 0.230 240 R C 2.410 178.737 176.300 0.045 0.000 1.111 240 R CA 1.630 57.739 56.100 0.016 0.000 0.976 240 R CB -0.207 30.077 30.300 -0.027 0.000 0.870 240 R HN 0.332 nan 8.270 nan 0.000 0.445 241 M N -0.270 119.307 119.600 -0.038 0.000 2.193 241 M HA -0.123 4.360 4.480 0.005 0.000 0.265 241 M C 1.976 178.242 176.300 -0.057 0.000 1.071 241 M CA 1.436 56.709 55.300 -0.045 0.000 1.140 241 M CB 0.001 32.602 32.600 0.002 0.000 1.369 241 M HN 0.208 nan 8.290 nan 0.000 0.423 242 C N 0.676 119.967 119.300 -0.015 0.000 2.413 242 C HA -0.096 4.367 4.460 0.005 0.000 0.276 242 C C 2.769 177.747 174.990 -0.020 0.000 1.248 242 C CA 1.227 60.257 59.018 0.019 0.000 1.742 242 C CB -1.819 25.956 27.740 0.057 0.000 2.017 242 C HN 0.820 nan 8.230 nan 0.000 0.481 243 G N 0.123 108.898 108.800 -0.041 0.000 2.418 243 G HA2 -0.219 3.744 3.960 0.005 0.000 0.217 243 G HA3 -0.219 3.744 3.960 0.005 0.000 0.217 243 G C 1.515 175.999 174.900 -0.694 0.000 1.158 243 G CA 1.041 46.031 45.100 -0.182 0.000 0.771 243 G HN 0.492 nan 8.290 nan 0.000 0.545 244 L N 0.449 121.049 121.223 -1.039 0.000 2.042 244 L HA 0.046 4.389 4.340 0.005 0.000 0.210 244 L C 2.652 179.289 176.870 -0.388 0.000 1.076 244 L CA 1.450 55.751 54.840 -0.899 0.000 0.749 244 L CB -0.378 41.347 42.059 -0.557 0.000 0.893 244 L HN 0.217 nan 8.230 nan 0.000 0.432 245 L N -1.365 119.720 121.223 -0.230 0.000 2.093 245 L HA -0.215 4.128 4.340 0.005 0.000 0.208 245 L C 2.483 179.131 176.870 -0.370 0.000 1.085 245 L CA 1.040 55.795 54.840 -0.141 0.000 0.755 245 L CB -0.511 41.596 42.059 0.081 0.000 0.904 245 L HN 0.307 nan 8.230 nan 0.000 0.435 246 L N -1.126 119.939 121.223 -0.265 0.000 2.046 246 L HA -0.198 4.144 4.340 0.005 0.000 0.208 246 L C 2.451 179.086 176.870 -0.392 0.000 1.077 246 L CA 0.992 55.622 54.840 -0.350 0.000 0.747 246 L CB -0.483 41.528 42.059 -0.081 0.000 0.896 246 L HN 0.004 nan 8.230 nan 0.000 0.432 247 V N -0.254 119.495 119.914 -0.276 0.000 2.358 247 V HA -0.186 3.937 4.120 0.005 0.000 0.246 247 V C 2.550 178.540 176.094 -0.173 0.000 1.047 247 V CA 1.904 64.108 62.300 -0.159 0.000 1.035 247 V CB -1.237 30.573 31.823 -0.021 0.000 0.658 247 V HN 0.573 nan 8.190 nan 0.000 0.452 248 G N 0.188 108.859 108.800 -0.215 0.000 2.421 248 G HA2 -0.162 3.800 3.960 0.005 0.000 0.216 248 G HA3 -0.162 3.800 3.960 0.005 0.000 0.216 248 G C 1.639 176.360 174.900 -0.298 0.000 1.171 248 G CA 0.916 45.909 45.100 -0.177 0.000 0.775 248 G HN 0.577 nan 8.290 nan 0.000 0.543 249 G N 0.201 108.619 108.800 -0.636 0.000 2.432 249 G HA2 -0.004 3.959 3.960 0.005 0.000 0.219 249 G HA3 -0.004 3.959 3.960 0.005 0.000 0.219 249 G C 1.463 176.118 174.900 -0.409 0.000 1.135 249 G CA 0.696 45.315 45.100 -0.802 0.000 0.767 249 G HN 0.356 nan 8.290 nan 0.000 0.550 250 L N -0.607 120.426 121.223 -0.317 0.000 2.664 250 L HA 0.387 4.730 4.340 0.005 0.000 0.233 250 L C 0.617 177.431 176.870 -0.094 0.000 1.113 250 L CA 0.552 55.299 54.840 -0.154 0.000 0.896 250 L CB 0.855 42.837 42.059 -0.128 0.000 1.163 250 L HN 0.024 nan 8.230 nan 0.000 0.497 251 D N -2.172 118.177 120.400 -0.085 0.000 2.760 251 D HA 0.120 4.763 4.640 0.005 0.000 0.314 251 D C 1.156 177.458 176.300 0.004 0.000 1.464 251 D CA 0.827 54.810 54.000 -0.028 0.000 0.797 251 D CB 0.566 41.361 40.800 -0.009 0.000 1.149 251 D HN 0.230 nan 8.370 nan 0.000 0.455 252 T N -4.264 110.294 114.554 0.007 0.000 3.447 252 T HA 0.074 4.426 4.350 0.005 0.000 0.218 252 T C 1.837 176.603 174.700 0.111 0.000 0.972 252 T CA 0.452 62.583 62.100 0.051 0.000 1.264 252 T CB -0.506 68.385 68.868 0.039 0.000 1.284 252 T HN -0.160 nan 8.240 nan 0.000 0.361 253 V N 2.386 122.366 119.914 0.110 0.000 2.392 253 V HA -0.147 3.976 4.120 0.005 0.000 0.249 253 V C 2.924 179.133 176.094 0.191 0.000 1.059 253 V CA 1.576 63.991 62.300 0.191 0.000 1.051 253 V CB -0.941 30.975 31.823 0.156 0.000 0.658 253 V HN 0.421 nan 8.190 nan 0.000 0.455 254 V N 0.800 120.771 119.914 0.096 0.000 2.324 254 V HA -0.293 3.830 4.120 0.005 0.000 0.250 254 V C 2.261 178.388 176.094 0.054 0.000 1.060 254 V CA 2.351 64.687 62.300 0.060 0.000 1.042 254 V CB -0.738 31.087 31.823 0.003 0.000 0.650 254 V HN 0.640 nan 8.190 nan 0.000 0.450 255 N N -0.921 117.814 118.700 0.057 0.000 2.290 255 N HA -0.077 4.665 4.740 0.005 0.000 0.179 255 N C 1.770 177.270 175.510 -0.017 0.000 1.016 255 N CA 1.167 54.196 53.050 -0.035 0.000 0.871 255 N CB -0.279 38.213 38.487 0.009 0.000 0.987 255 N HN 0.493 nan 8.380 nan 0.000 0.431 256 F N 2.525 122.527 119.950 0.087 0.000 2.126 256 F HA -0.050 4.480 4.527 0.005 0.000 0.299 256 F C 2.123 178.010 175.800 0.146 0.000 1.096 256 F CA 1.014 59.129 58.000 0.192 0.000 1.255 256 F CB -0.406 38.675 39.000 0.134 0.000 0.997 256 F HN -0.100 nan 8.300 nan 0.000 0.479 257 L N -0.803 120.467 121.223 0.079 0.000 2.079 257 L HA -0.252 4.091 4.340 0.005 0.000 0.210 257 L C 2.517 179.358 176.870 -0.049 0.000 1.081 257 L CA 1.485 56.357 54.840 0.053 0.000 0.752 257 L CB -0.985 41.273 42.059 0.331 0.000 0.896 257 L HN 0.063 nan 8.230 nan 0.000 0.433 258 S N -0.521 115.161 115.700 -0.030 0.000 2.383 258 S HA -0.113 4.359 4.470 0.005 0.000 0.227 258 S C 1.780 176.167 174.600 -0.355 0.000 1.026 258 S CA 1.135 59.258 58.200 -0.127 0.000 0.981 258 S CB -0.306 62.809 63.200 -0.142 0.000 0.818 258 S HN 0.205 nan 8.310 nan 0.000 0.472 259 F N 2.166 121.882 119.950 -0.389 0.000 2.095 259 F HA -0.103 4.427 4.527 0.004 0.000 0.298 259 F C 2.804 178.113 175.800 -0.818 0.000 1.104 259 F CA 0.891 58.548 58.000 -0.571 0.000 1.232 259 F CB -1.095 37.577 39.000 -0.546 0.000 0.987 259 F HN 0.101 nan 8.300 nan 0.000 0.475 260 S N -0.480 114.832 115.700 -0.646 0.000 2.368 260 S HA -0.167 4.306 4.470 0.005 0.000 0.225 260 S C 2.098 176.493 174.600 -0.341 0.000 1.030 260 S CA 1.137 59.011 58.200 -0.543 0.000 0.999 260 S CB -0.216 62.681 63.200 -0.505 0.000 0.844 260 S HN 0.191 nan 8.310 nan 0.000 0.459 261 M N 1.080 120.408 119.600 -0.454 0.000 2.254 261 M HA 0.020 4.502 4.480 0.005 0.000 0.265 261 M C 2.137 178.218 176.300 -0.365 0.000 1.066 261 M CA 1.028 55.990 55.300 -0.564 0.000 1.123 261 M CB -1.134 30.707 32.600 -1.265 0.000 1.388 261 M HN 0.413 nan 8.290 nan 0.000 0.425 262 E N 0.038 120.052 120.200 -0.308 0.000 2.031 262 E HA -0.228 4.125 4.350 0.005 0.000 0.193 262 E C 1.961 178.486 176.600 -0.126 0.000 0.994 262 E CA 1.247 57.551 56.400 -0.161 0.000 0.800 262 E CB -0.158 29.504 29.700 -0.064 0.000 0.752 262 E HN 0.347 nan 8.360 nan 0.000 0.447 263 F N 1.498 121.262 119.950 -0.311 0.000 2.095 263 F HA -0.191 4.340 4.527 0.007 0.000 0.298 263 F C 1.973 177.663 175.800 -0.183 0.000 1.104 263 F CA 1.434 59.278 58.000 -0.260 0.000 1.232 263 F CB -0.337 38.399 39.000 -0.441 0.000 0.987 263 F HN -0.003 nan 8.300 nan 0.000 0.475 264 L N 0.014 121.063 121.223 -0.290 0.000 2.046 264 L HA -0.178 4.165 4.340 0.005 0.000 0.208 264 L C 2.813 179.412 176.870 -0.451 0.000 1.077 264 L CA 1.144 55.779 54.840 -0.341 0.000 0.747 264 L CB -1.295 40.739 42.059 -0.041 0.000 0.896 264 L HN 0.256 nan 8.230 nan 0.000 0.432 265 A N 0.141 122.800 122.820 -0.269 0.000 1.978 265 A HA -0.197 4.126 4.320 0.005 0.000 0.220 265 A C 2.161 179.580 177.584 -0.275 0.000 1.170 265 A CA 1.548 53.425 52.037 -0.267 0.000 0.636 265 A CB -0.300 18.715 19.000 0.024 0.000 0.810 265 A HN 0.383 nan 8.150 nan 0.000 0.448 266 K N -0.759 119.466 120.400 -0.292 0.000 2.404 266 K HA 0.133 4.456 4.320 0.005 0.000 0.194 266 K C 0.180 176.589 176.600 -0.317 0.000 1.023 266 K CA 0.470 56.610 56.287 -0.244 0.000 1.094 266 K CB 0.271 32.670 32.500 -0.169 0.000 0.841 266 K HN 0.233 nan 8.250 nan 0.000 0.523 267 S N 1.265 116.691 115.700 -0.455 0.000 2.279 267 S HA 0.258 4.731 4.470 0.005 0.000 0.176 267 S C -2.316 172.145 174.600 -0.232 0.000 1.554 267 S CA -1.676 56.304 58.200 -0.366 0.000 1.242 267 S CB 0.732 63.548 63.200 -0.640 0.000 1.163 267 S HN -0.129 nan 8.310 nan 0.000 0.449 268 P HA -0.142 nan 4.420 nan 0.000 0.216 268 P C 1.049 178.296 177.300 -0.087 0.000 1.153 268 P CA 1.290 64.303 63.100 -0.145 0.000 0.858 268 P CB 0.184 31.817 31.700 -0.112 0.000 0.789 269 E N -1.667 118.494 120.200 -0.064 0.000 2.153 269 E HA -0.210 4.143 4.350 0.005 0.000 0.194 269 E C 1.871 178.408 176.600 -0.105 0.000 0.988 269 E CA 1.006 57.354 56.400 -0.087 0.000 0.811 269 E CB -0.547 29.079 29.700 -0.123 0.000 0.746 269 E HN 0.484 nan 8.360 nan 0.000 0.466 270 H N 0.008 119.028 119.070 -0.082 0.000 2.462 270 H HA 0.071 4.630 4.556 0.004 0.000 0.292 270 H C 1.967 177.374 175.328 0.132 0.000 1.049 270 H CA 0.865 56.934 56.048 0.035 0.000 1.334 270 H CB 0.198 29.960 29.762 0.001 0.000 1.404 270 H HN 0.006 nan 8.280 nan 0.000 0.544 271 R N 0.276 120.829 120.500 0.088 0.000 2.062 271 R HA -0.158 4.185 4.340 0.005 0.000 0.231 271 R C 2.246 178.584 176.300 0.063 0.000 1.136 271 R CA 1.403 57.528 56.100 0.040 0.000 0.948 271 R CB -0.250 29.979 30.300 -0.118 0.000 0.845 271 R HN 0.420 nan 8.270 nan 0.000 0.430 272 Q N 1.182 120.995 119.800 0.022 0.000 2.112 272 Q HA -0.255 4.088 4.340 0.005 0.000 0.206 272 Q C 1.986 178.017 176.000 0.053 0.000 0.987 272 Q CA 1.823 57.639 55.803 0.021 0.000 0.858 272 Q CB 0.001 28.735 28.738 -0.006 0.000 0.905 272 Q HN 0.373 nan 8.270 nan 0.000 0.420 273 E N -0.147 120.104 120.200 0.084 0.000 2.085 273 E HA -0.198 4.155 4.350 0.005 0.000 0.194 273 E C 2.018 178.697 176.600 0.132 0.000 0.994 273 E CA 1.246 57.718 56.400 0.120 0.000 0.801 273 E CB -0.056 29.760 29.700 0.193 0.000 0.743 273 E HN 0.446 nan 8.360 nan 0.000 0.453 274 L N 0.199 121.514 121.223 0.153 0.000 2.179 274 L HA -0.062 4.281 4.340 0.005 0.000 0.208 274 L C 2.358 179.268 176.870 0.067 0.000 1.096 274 L CA 0.337 55.233 54.840 0.093 0.000 0.779 274 L CB -0.157 41.950 42.059 0.081 0.000 0.922 274 L HN 0.196 nan 8.230 nan 0.000 0.443 275 I N -0.414 120.197 120.570 0.069 0.000 2.252 275 I HA -0.279 3.894 4.170 0.005 0.000 0.245 275 I C 2.582 178.723 176.117 0.039 0.000 1.102 275 I CA 1.321 62.651 61.300 0.050 0.000 1.385 275 I CB -0.153 37.873 38.000 0.043 0.000 1.064 275 I HN 0.300 nan 8.210 nan 0.000 0.414 276 Q N 0.435 120.259 119.800 0.041 0.000 2.083 276 Q HA 0.001 4.343 4.340 0.005 0.000 0.198 276 Q C 0.524 176.545 176.000 0.034 0.000 0.969 276 Q CA 0.943 56.766 55.803 0.033 0.000 0.838 276 Q CB 0.192 28.949 28.738 0.032 0.000 0.900 276 Q HN 0.376 nan 8.270 nan 0.000 0.436 277 R N 0.908 121.434 120.500 0.043 0.000 2.494 277 R HA 0.191 4.534 4.340 0.005 0.000 0.284 277 R C -2.206 174.114 176.300 0.033 0.000 1.525 277 R CA -1.329 54.794 56.100 0.038 0.000 1.460 277 R CB 1.086 31.414 30.300 0.046 0.000 1.134 277 R HN 0.105 nan 8.270 nan 0.000 0.592 278 P HA -0.185 nan 4.420 nan 0.000 0.223 278 P C 0.965 178.275 177.300 0.016 0.000 1.151 278 P CA 1.062 64.175 63.100 0.022 0.000 0.787 278 P CB 0.353 32.067 31.700 0.023 0.000 0.788 279 E N 1.053 121.264 120.200 0.019 0.000 2.472 279 E HA -0.156 4.197 4.350 0.005 0.000 0.200 279 E C 1.466 178.075 176.600 0.015 0.000 1.046 279 E CA 0.614 57.026 56.400 0.019 0.000 0.871 279 E CB -0.568 29.146 29.700 0.022 0.000 0.806 279 E HN 0.285 nan 8.360 nan 0.000 0.533 280 R N 0.172 120.677 120.500 0.009 0.000 2.310 280 R HA 0.259 4.602 4.340 0.005 0.000 0.202 280 R C 2.119 178.380 176.300 -0.065 0.000 0.933 280 R CA 0.010 56.107 56.100 -0.005 0.000 1.054 280 R CB -0.064 30.246 30.300 0.017 0.000 0.985 280 R HN 0.228 nan 8.270 nan 0.000 0.489 281 I N 1.367 121.908 120.570 -0.048 0.000 2.286 281 I HA -0.173 4.000 4.170 0.005 0.000 0.248 281 I C -0.852 175.230 176.117 -0.059 0.000 1.115 281 I CA 1.196 62.450 61.300 -0.076 0.000 1.392 281 I CB -0.683 37.302 38.000 -0.026 0.000 1.065 281 I HN 0.037 nan 8.210 nan 0.000 0.418 282 P HA -0.097 nan 4.420 nan 0.000 0.219 282 P C 1.377 178.688 177.300 0.017 0.000 1.150 282 P CA 1.375 64.486 63.100 0.019 0.000 0.814 282 P CB 0.040 31.761 31.700 0.036 0.000 0.787 283 A N 0.025 122.845 122.820 0.001 0.000 1.929 283 A HA 0.015 4.338 4.320 0.005 0.000 0.216 283 A C 2.274 179.854 177.584 -0.006 0.000 1.176 283 A CA 1.711 53.764 52.037 0.026 0.000 0.628 283 A CB -1.490 17.539 19.000 0.049 0.000 0.816 283 A HN 0.175 nan 8.150 nan 0.000 0.444 284 A N -0.916 121.798 122.820 -0.176 0.000 1.930 284 A HA -0.170 4.153 4.320 0.005 0.000 0.217 284 A C 2.363 179.857 177.584 -0.151 0.000 1.175 284 A CA 1.551 53.305 52.037 -0.472 0.000 0.627 284 A CB -1.409 16.824 19.000 -1.278 0.000 0.815 284 A HN 0.895 nan 8.150 nan 0.000 0.443 285 C N -0.447 118.822 119.300 -0.053 0.000 2.413 285 C HA -0.132 4.331 4.460 0.005 0.000 0.276 285 C C 2.539 177.589 174.990 0.101 0.000 1.248 285 C CA 1.895 60.964 59.018 0.085 0.000 1.742 285 C CB -1.028 26.772 27.740 0.101 0.000 2.017 285 C HN 0.660 nan 8.230 nan 0.000 0.481 286 E N 0.768 121.016 120.200 0.080 0.000 2.077 286 E HA -0.187 4.166 4.350 0.005 0.000 0.193 286 E C 2.061 178.698 176.600 0.062 0.000 0.989 286 E CA 1.893 58.343 56.400 0.083 0.000 0.800 286 E CB -0.422 29.355 29.700 0.130 0.000 0.746 286 E HN 0.793 nan 8.360 nan 0.000 0.452 287 E N -0.017 120.254 120.200 0.118 0.000 2.077 287 E HA -0.122 4.231 4.350 0.005 0.000 0.193 287 E C 1.946 178.607 176.600 0.101 0.000 0.989 287 E CA 1.137 57.616 56.400 0.132 0.000 0.800 287 E CB -0.324 29.529 29.700 0.255 0.000 0.746 287 E HN 0.341 nan 8.360 nan 0.000 0.452 288 L N -0.121 121.229 121.223 0.211 0.000 2.093 288 L HA -0.103 4.240 4.340 0.005 0.000 0.208 288 L C 2.439 179.537 176.870 0.379 0.000 1.085 288 L CA 0.708 55.755 54.840 0.346 0.000 0.755 288 L CB -0.336 41.986 42.059 0.439 0.000 0.904 288 L HN 0.212 nan 8.230 nan 0.000 0.435 289 L N -0.538 120.756 121.223 0.120 0.000 2.191 289 L HA -0.206 4.137 4.340 0.005 0.000 0.212 289 L C 2.787 179.412 176.870 -0.407 0.000 1.103 289 L CA 1.075 55.715 54.840 -0.332 0.000 0.769 289 L CB -0.401 41.268 42.059 -0.649 0.000 0.908 289 L HN 0.241 nan 8.230 nan 0.000 0.438 290 R N 0.081 120.393 120.500 -0.313 0.000 2.055 290 R HA -0.153 4.190 4.340 0.005 0.000 0.226 290 R C 2.476 178.603 176.300 -0.289 0.000 1.135 290 R CA 1.161 57.100 56.100 -0.269 0.000 0.959 290 R CB -0.031 30.198 30.300 -0.119 0.000 0.854 290 R HN 0.064 nan 8.270 nan 0.000 0.431 291 R N -0.182 120.104 120.500 -0.357 0.000 2.092 291 R HA -0.058 4.285 4.340 0.005 0.000 0.231 291 R C 0.546 176.281 176.300 -0.942 0.000 1.119 291 R CA 1.539 57.216 56.100 -0.705 0.000 0.970 291 R CB -0.111 29.639 30.300 -0.917 0.000 0.864 291 R HN 0.216 nan 8.270 nan 0.000 0.440 292 F N 0.333 120.169 119.950 -0.191 0.000 2.850 292 F HA 0.429 4.959 4.527 0.005 0.000 0.306 292 F C 0.356 176.014 175.800 -0.237 0.000 1.162 292 F CA -0.529 57.289 58.000 -0.303 0.000 1.327 292 F CB 0.078 38.892 39.000 -0.310 0.000 0.953 292 F HN -0.147 nan 8.300 nan 0.000 0.507 293 S N 1.798 117.375 115.700 -0.205 0.000 2.558 293 S HA 0.200 4.673 4.470 0.005 0.000 0.291 293 S C 0.887 175.301 174.600 -0.310 0.000 1.306 293 S CA 0.093 58.127 58.200 -0.277 0.000 1.056 293 S CB 0.352 63.362 63.200 -0.315 0.000 0.836 293 S HN 0.572 nan 8.310 nan 0.000 0.504 294 L N 2.265 123.331 121.223 -0.262 0.000 3.515 294 L HA 0.560 4.903 4.340 0.005 0.000 0.322 294 L C -0.857 175.860 176.870 -0.256 0.000 1.225 294 L CA -0.569 54.129 54.840 -0.236 0.000 1.104 294 L CB 0.224 42.306 42.059 0.038 0.000 1.506 294 L HN 0.322 nan 8.230 nan 0.000 0.624 295 V N 1.542 121.287 119.914 -0.281 0.000 2.630 295 V HA 0.884 5.007 4.120 0.005 0.000 0.305 295 V C 0.159 176.058 176.094 -0.325 0.000 1.046 295 V CA -0.064 62.084 62.300 -0.252 0.000 0.934 295 V CB 1.569 33.295 31.823 -0.162 0.000 1.003 295 V HN 0.307 nan 8.190 nan 0.000 0.451 296 A N 2.964 125.604 122.820 -0.300 0.000 2.684 296 A HA 0.681 5.004 4.320 0.005 0.000 0.289 296 A C -0.757 176.720 177.584 -0.179 0.000 1.139 296 A CA -0.607 51.277 52.037 -0.256 0.000 0.793 296 A CB 0.664 19.421 19.000 -0.406 0.000 1.334 296 A HN 0.865 nan 8.150 nan 0.000 0.408 297 D N 1.403 121.749 120.400 -0.091 0.000 2.658 297 D HA 0.874 5.517 4.640 0.005 0.000 0.243 297 D C 0.556 176.869 176.300 0.021 0.000 1.159 297 D CA 0.048 53.993 54.000 -0.092 0.000 1.084 297 D CB 0.906 41.684 40.800 -0.036 0.000 1.227 297 D HN 1.103 nan 8.370 nan 0.000 0.636 298 G N -1.917 106.915 108.800 0.054 0.000 2.435 298 G HA2 0.498 4.461 3.960 0.005 0.000 0.296 298 G HA3 0.498 4.461 3.960 0.005 0.000 0.296 298 G C -1.253 173.669 174.900 0.035 0.000 1.240 298 G CA -0.759 44.361 45.100 0.033 0.000 0.872 298 G HN 0.470 nan 8.290 nan 0.000 0.480 299 R N -1.246 119.263 120.500 0.015 0.000 2.846 299 R HA 0.683 5.026 4.340 0.005 0.000 0.263 299 R C -1.332 175.043 176.300 0.126 0.000 1.080 299 R CA -0.761 55.386 56.100 0.077 0.000 0.961 299 R CB 1.716 32.089 30.300 0.121 0.000 1.231 299 R HN 0.607 nan 8.270 nan 0.000 0.465 300 I N 1.229 121.886 120.570 0.145 0.000 2.569 300 I HA 0.286 4.459 4.170 0.005 0.000 0.296 300 I C -0.730 175.477 176.117 0.149 0.000 1.028 300 I CA -1.079 60.312 61.300 0.151 0.000 1.082 300 I CB 1.514 39.575 38.000 0.102 0.000 1.264 300 I HN 0.205 nan 8.210 nan 0.000 0.429 301 L N 6.317 127.630 121.223 0.149 0.000 2.361 301 L HA 0.141 4.484 4.340 0.005 0.000 0.278 301 L C 1.583 178.464 176.870 0.019 0.000 1.113 301 L CA 0.370 55.235 54.840 0.042 0.000 0.849 301 L CB 1.109 43.212 42.059 0.074 0.000 1.155 301 L HN 0.808 nan 8.230 nan 0.000 0.452 302 T N -0.890 113.643 114.554 -0.035 0.000 2.951 302 T HA -0.018 4.335 4.350 0.005 0.000 0.268 302 T C 0.849 175.539 174.700 -0.017 0.000 1.073 302 T CA 0.730 62.813 62.100 -0.029 0.000 1.134 302 T CB 0.103 68.922 68.868 -0.081 0.000 0.884 302 T HN 0.625 nan 8.240 nan 0.000 0.479 303 S N -0.351 115.346 115.700 -0.005 0.000 2.643 303 S HA 0.474 4.947 4.470 0.005 0.000 0.270 303 S C -2.033 172.594 174.600 0.046 0.000 1.166 303 S CA -1.104 57.108 58.200 0.020 0.000 0.815 303 S CB 1.226 64.439 63.200 0.022 0.000 1.139 303 S HN 0.031 nan 8.310 nan 0.000 0.472 304 D N 1.142 121.568 120.400 0.043 0.000 2.455 304 D HA 0.469 5.112 4.640 0.005 0.000 0.241 304 D C -0.915 175.455 176.300 0.117 0.000 1.138 304 D CA 1.107 55.136 54.000 0.047 0.000 0.877 304 D CB 0.088 40.899 40.800 0.019 0.000 1.187 304 D HN 0.514 nan 8.370 nan 0.000 0.451 305 Y N 0.636 120.870 120.300 -0.111 0.000 2.521 305 Y HA 0.230 4.783 4.550 0.005 0.000 0.332 305 Y C -1.344 174.486 175.900 -0.117 0.000 1.121 305 Y CA -1.172 56.817 58.100 -0.185 0.000 1.037 305 Y CB 1.384 39.604 38.460 -0.399 0.000 1.330 305 Y HN 0.334 nan 8.280 nan 0.000 0.452 306 E N 5.901 125.803 120.200 -0.497 0.000 2.109 306 E HA 0.442 4.795 4.350 0.005 0.000 0.278 306 E C -2.061 174.132 176.600 -0.678 0.000 0.954 306 E CA -0.595 55.541 56.400 -0.440 0.000 0.779 306 E CB 0.747 30.329 29.700 -0.198 0.000 1.093 306 E HN 0.477 nan 8.360 nan 0.000 0.401 307 F N 5.582 125.160 119.950 -0.620 0.000 2.539 307 F HA 0.281 4.811 4.527 0.005 0.000 0.328 307 F C -0.548 175.202 175.800 -0.084 0.000 1.148 307 F CA -0.500 57.255 58.000 -0.409 0.000 0.940 307 F CB 0.756 39.535 39.000 -0.369 0.000 1.194 307 F HN 0.684 nan 8.300 nan 0.000 0.438 308 H N 4.214 122.972 119.070 -0.520 0.000 2.677 308 H HA -0.185 4.374 4.556 0.005 0.000 0.321 308 H C 1.363 176.548 175.328 -0.238 0.000 1.171 308 H CA 1.013 56.809 56.048 -0.421 0.000 1.139 308 H CB -1.083 28.342 29.762 -0.562 0.000 1.515 308 H HN 1.287 nan 8.280 nan 0.000 0.423 309 G N -0.721 108.008 108.800 -0.119 0.000 2.166 309 G HA2 -0.321 3.642 3.960 0.005 0.000 0.260 309 G HA3 -0.321 3.642 3.960 0.005 0.000 0.260 309 G C 0.274 175.142 174.900 -0.052 0.000 0.986 309 G CA 0.473 45.530 45.100 -0.072 0.000 0.683 309 G HN 0.503 nan 8.290 nan 0.000 0.527 310 V N 0.753 120.615 119.914 -0.086 0.000 2.540 310 V HA 0.466 4.589 4.120 0.005 0.000 0.302 310 V C 0.151 176.158 176.094 -0.145 0.000 1.035 310 V CA -1.127 61.107 62.300 -0.110 0.000 0.873 310 V CB 1.939 33.641 31.823 -0.202 0.000 0.992 310 V HN 0.250 nan 8.190 nan 0.000 0.428 311 Q N 4.257 124.022 119.800 -0.058 0.000 2.296 311 Q HA 0.440 4.783 4.340 0.005 0.000 0.263 311 Q C -0.806 175.217 176.000 0.038 0.000 1.026 311 Q CA 0.157 55.953 55.803 -0.012 0.000 0.912 311 Q CB 1.112 29.889 28.738 0.065 0.000 1.198 311 Q HN 0.575 nan 8.270 nan 0.000 0.407 312 L N 2.322 123.518 121.223 -0.044 0.000 2.344 312 L HA 0.519 4.862 4.340 0.005 0.000 0.272 312 L C 0.194 177.120 176.870 0.093 0.000 1.035 312 L CA -0.717 54.149 54.840 0.045 0.000 0.807 312 L CB 1.369 43.363 42.059 -0.107 0.000 1.237 312 L HN 0.343 nan 8.230 nan 0.000 0.442 313 K N 2.218 122.710 120.400 0.152 0.000 2.221 313 K HA 0.291 4.614 4.320 0.005 0.000 0.258 313 K C -0.481 176.158 176.600 0.066 0.000 0.944 313 K CA -0.848 55.400 56.287 -0.065 0.000 0.823 313 K CB 1.692 33.860 32.500 -0.553 0.000 1.113 313 K HN 0.426 nan 8.250 nan 0.000 0.431 314 K N 2.437 122.852 120.400 0.024 0.000 2.530 314 K HA -0.052 4.271 4.320 0.005 0.000 0.280 314 K C 0.680 177.327 176.600 0.078 0.000 1.004 314 K CA 1.818 58.133 56.287 0.047 0.000 1.071 314 K CB -0.140 32.374 32.500 0.023 0.000 0.876 314 K HN 0.833 nan 8.250 nan 0.000 0.487 315 G N 2.710 111.572 108.800 0.103 0.000 2.241 315 G HA2 -0.243 3.720 3.960 0.005 0.000 0.244 315 G HA3 -0.243 3.720 3.960 0.005 0.000 0.244 315 G C -0.326 174.693 174.900 0.199 0.000 0.998 315 G CA 0.207 45.382 45.100 0.125 0.000 0.621 315 G HN 0.753 nan 8.290 nan 0.000 0.519 316 D N 1.591 122.161 120.400 0.283 0.000 2.423 316 D HA 0.388 5.031 4.640 0.005 0.000 0.238 316 D C 0.925 177.451 176.300 0.376 0.000 1.142 316 D CA 0.527 54.794 54.000 0.446 0.000 0.884 316 D CB 0.481 41.722 40.800 0.735 0.000 1.199 316 D HN 0.522 nan 8.370 nan 0.000 0.438 317 Q N 0.730 120.733 119.800 0.340 0.000 2.222 317 Q HA 0.615 4.957 4.340 0.005 0.000 0.252 317 Q C -0.365 175.828 176.000 0.321 0.000 0.926 317 Q CA -0.584 55.364 55.803 0.242 0.000 0.899 317 Q CB 2.367 31.178 28.738 0.121 0.000 1.250 317 Q HN 0.443 nan 8.270 nan 0.000 0.441 318 I N 2.595 123.304 120.570 0.232 0.000 2.500 318 I HA 0.204 4.377 4.170 0.005 0.000 0.286 318 I C -1.649 174.490 176.117 0.037 0.000 1.063 318 I CA -0.984 60.445 61.300 0.215 0.000 1.062 318 I CB 1.281 39.403 38.000 0.203 0.000 1.223 318 I HN 0.483 nan 8.210 nan 0.000 0.435 319 L N 8.398 129.634 121.223 0.022 0.000 2.319 319 L HA 0.417 4.760 4.340 0.005 0.000 0.280 319 L C -1.155 175.699 176.870 -0.027 0.000 1.099 319 L CA 0.322 55.138 54.840 -0.039 0.000 0.828 319 L CB 0.757 42.785 42.059 -0.052 0.000 1.150 319 L HN 0.532 nan 8.230 nan 0.000 0.442 320 L N 7.940 129.119 121.223 -0.073 0.000 2.445 320 L HA 0.393 4.735 4.340 0.005 0.000 0.252 320 L C -2.155 174.738 176.870 0.038 0.000 1.105 320 L CA -1.745 53.017 54.840 -0.130 0.000 0.943 320 L CB 0.969 42.722 42.059 -0.509 0.000 1.277 320 L HN 0.499 nan 8.230 nan 0.000 0.465 321 P HA 0.056 nan 4.420 nan 0.000 0.264 321 P C 0.202 177.476 177.300 -0.044 0.000 1.236 321 P CA -0.037 63.055 63.100 -0.014 0.000 0.811 321 P CB 0.823 32.554 31.700 0.052 0.000 0.840 322 Q N 2.561 122.335 119.800 -0.043 0.000 2.197 322 Q HA -0.193 4.150 4.340 0.005 0.000 0.207 322 Q C 1.896 177.810 176.000 -0.143 0.000 0.984 322 Q CA 1.603 57.369 55.803 -0.062 0.000 0.869 322 Q CB -0.576 28.094 28.738 -0.113 0.000 0.906 322 Q HN 0.512 nan 8.270 nan 0.000 0.426 323 M N -0.563 118.892 119.600 -0.241 0.000 2.149 323 M HA -0.185 4.298 4.480 0.005 0.000 0.261 323 M C 0.913 177.087 176.300 -0.211 0.000 1.064 323 M CA 1.317 56.442 55.300 -0.292 0.000 1.102 323 M CB 0.065 32.377 32.600 -0.480 0.000 1.369 323 M HN 0.276 nan 8.290 nan 0.000 0.408 324 L N 0.085 121.216 121.223 -0.153 0.000 2.217 324 L HA -0.048 4.295 4.340 0.005 0.000 0.211 324 L C 2.458 179.274 176.870 -0.091 0.000 1.107 324 L CA 1.344 56.124 54.840 -0.100 0.000 0.783 324 L CB -1.053 40.969 42.059 -0.062 0.000 0.919 324 L HN 0.292 nan 8.230 nan 0.000 0.442 325 S N -0.399 115.252 115.700 -0.082 0.000 2.368 325 S HA -0.124 4.349 4.470 0.005 0.000 0.225 325 S C 1.866 176.427 174.600 -0.064 0.000 1.030 325 S CA 1.266 59.423 58.200 -0.072 0.000 0.999 325 S CB -0.650 62.508 63.200 -0.070 0.000 0.844 325 S HN 0.549 nan 8.310 nan 0.000 0.459 326 G N 0.486 109.250 108.800 -0.059 0.000 2.813 326 G HA2 0.163 4.126 3.960 0.005 0.000 0.209 326 G HA3 0.163 4.126 3.960 0.005 0.000 0.209 326 G C 1.102 175.952 174.900 -0.084 0.000 1.150 326 G CA -0.065 45.008 45.100 -0.044 0.000 0.785 326 G HN 0.414 nan 8.290 nan 0.000 0.535 327 L N -0.058 121.103 121.223 -0.104 0.000 2.418 327 L HA 0.138 4.481 4.340 0.005 0.000 0.218 327 L C 0.733 177.553 176.870 -0.083 0.000 1.125 327 L CA -0.124 54.649 54.840 -0.112 0.000 0.835 327 L CB 0.026 42.010 42.059 -0.124 0.000 0.953 327 L HN 0.032 nan 8.230 nan 0.000 0.454 328 D N 0.988 121.344 120.400 -0.073 0.000 2.382 328 D HA -0.072 4.571 4.640 0.005 0.000 0.259 328 D C 1.020 177.289 176.300 -0.052 0.000 1.224 328 D CA 0.404 54.365 54.000 -0.064 0.000 0.894 328 D CB 1.353 42.114 40.800 -0.065 0.000 1.127 328 D HN 0.083 nan 8.370 nan 0.000 0.487 329 E N 2.622 122.794 120.200 -0.047 0.000 2.209 329 E HA -0.199 4.154 4.350 0.005 0.000 0.196 329 E C 1.647 178.227 176.600 -0.032 0.000 0.993 329 E CA 1.085 57.463 56.400 -0.037 0.000 0.819 329 E CB 0.277 29.957 29.700 -0.033 0.000 0.745 329 E HN 0.436 nan 8.360 nan 0.000 0.477 330 R N -0.077 120.401 120.500 -0.037 0.000 2.189 330 R HA -0.048 4.295 4.340 0.005 0.000 0.218 330 R C 1.940 178.222 176.300 -0.030 0.000 1.074 330 R CA 0.979 57.059 56.100 -0.032 0.000 0.991 330 R CB 0.050 30.328 30.300 -0.036 0.000 0.883 330 R HN 0.208 nan 8.270 nan 0.000 0.457 331 E N -0.029 120.151 120.200 -0.035 0.000 2.127 331 E HA 0.072 4.424 4.350 0.005 0.000 0.191 331 E C -0.037 176.550 176.600 -0.022 0.000 0.964 331 E CA 0.482 56.864 56.400 -0.031 0.000 0.832 331 E CB 0.386 30.061 29.700 -0.041 0.000 0.790 331 E HN 0.246 nan 8.360 nan 0.000 0.465 332 N N 0.235 118.921 118.700 -0.022 0.000 2.352 332 N HA 0.310 5.053 4.740 0.005 0.000 0.291 332 N C -1.069 174.435 175.510 -0.010 0.000 1.040 332 N CA -0.217 52.826 53.050 -0.011 0.000 0.864 332 N CB 2.115 40.594 38.487 -0.012 0.000 1.440 332 N HN -0.025 nan 8.380 nan 0.000 0.483 333 A N 0.632 123.451 122.820 -0.001 0.000 2.498 333 A HA 0.162 4.485 4.320 0.005 0.000 0.239 333 A C 0.698 178.285 177.584 0.006 0.000 1.068 333 A CA -0.027 52.008 52.037 -0.002 0.000 0.766 333 A CB -0.316 18.684 19.000 -0.001 0.000 1.003 333 A HN 0.963 nan 8.150 nan 0.000 0.497 334 C N 2.575 121.873 119.300 -0.004 0.000 2.977 334 C HA -0.100 4.363 4.460 0.005 0.000 0.252 334 C C -0.265 174.739 174.990 0.023 0.000 1.310 334 C CA 0.081 59.101 59.018 0.004 0.000 2.393 334 C CB -2.155 25.579 27.740 -0.010 0.000 1.512 334 C HN 0.861 nan 8.230 nan 0.000 0.453 335 P HA -0.156 nan 4.420 nan 0.000 0.222 335 P C 1.346 178.598 177.300 -0.081 0.000 1.147 335 P CA 1.434 64.507 63.100 -0.046 0.000 0.790 335 P CB 0.066 31.729 31.700 -0.062 0.000 0.780 336 M N -1.632 117.937 119.600 -0.053 0.000 2.541 336 M HA 0.032 4.515 4.480 0.005 0.000 0.252 336 M C 1.239 177.495 176.300 -0.072 0.000 1.125 336 M CA 0.294 55.538 55.300 -0.093 0.000 1.091 336 M CB -1.552 31.019 32.600 -0.048 0.000 1.420 336 M HN 0.095 nan 8.290 nan 0.000 0.486 337 H N 1.118 120.127 119.070 -0.102 0.000 2.646 337 H HA 0.290 4.849 4.556 0.005 0.000 0.325 337 H C -1.112 174.148 175.328 -0.113 0.000 1.075 337 H CA -0.229 55.778 56.048 -0.068 0.000 1.421 337 H CB 1.352 31.098 29.762 -0.026 0.000 1.461 337 H HN -0.169 nan 8.280 nan 0.000 0.525 338 V N 5.876 125.383 119.914 -0.678 0.000 2.461 338 V HA 0.036 4.159 4.120 0.005 0.000 0.275 338 V C 0.077 175.790 176.094 -0.635 0.000 1.047 338 V CA -0.093 61.840 62.300 -0.613 0.000 0.955 338 V CB 1.188 32.531 31.823 -0.801 0.000 0.988 338 V HN 0.762 nan 8.190 nan 0.000 0.471 339 D N 3.953 124.159 120.400 -0.324 0.000 2.575 339 D HA 0.351 4.994 4.640 0.005 0.000 0.250 339 D C 0.233 176.571 176.300 0.064 0.000 1.279 339 D CA -0.536 53.380 54.000 -0.140 0.000 0.925 339 D CB 1.172 42.009 40.800 0.061 0.000 1.261 339 D HN 0.193 nan 8.370 nan 0.000 0.567 340 F N 1.445 121.456 119.950 0.102 0.000 2.502 340 F HA 0.042 4.572 4.527 0.004 0.000 0.298 340 F C 2.159 178.003 175.800 0.073 0.000 1.111 340 F CA 0.329 58.387 58.000 0.096 0.000 1.445 340 F CB -0.362 38.713 39.000 0.125 0.000 1.081 340 F HN 0.290 nan 8.300 nan 0.000 0.558 341 S N -0.815 115.015 115.700 0.215 0.000 2.577 341 S HA 0.073 4.546 4.470 0.005 0.000 0.219 341 S C 0.827 175.496 174.600 0.116 0.000 0.962 341 S CA -0.533 57.755 58.200 0.147 0.000 0.921 341 S CB -0.318 62.948 63.200 0.110 0.000 0.789 341 S HN 0.164 nan 8.310 nan 0.000 0.497 342 R N 1.747 122.320 120.500 0.122 0.000 2.486 342 R HA -0.094 4.249 4.340 0.005 0.000 0.304 342 R C 0.912 177.260 176.300 0.080 0.000 0.913 342 R CA 0.453 56.610 56.100 0.094 0.000 1.124 342 R CB 0.236 30.590 30.300 0.090 0.000 0.891 342 R HN 0.252 nan 8.270 nan 0.000 0.410 343 Q N 2.701 122.539 119.800 0.063 0.000 2.083 343 Q HA -0.090 4.253 4.340 0.005 0.000 0.198 343 Q C -0.214 175.814 176.000 0.047 0.000 0.969 343 Q CA 1.591 57.425 55.803 0.052 0.000 0.838 343 Q CB 0.297 29.059 28.738 0.041 0.000 0.900 343 Q HN 0.363 nan 8.270 nan 0.000 0.436 344 K N -0.051 120.373 120.400 0.041 0.000 2.521 344 K HA 0.327 4.650 4.320 0.005 0.000 0.248 344 K C -1.494 175.128 176.600 0.036 0.000 0.978 344 K CA -0.184 56.123 56.287 0.033 0.000 0.947 344 K CB 1.958 34.470 32.500 0.020 0.000 1.165 344 K HN -0.205 nan 8.250 nan 0.000 0.445 345 V N 2.322 122.267 119.914 0.051 0.000 2.356 345 V HA 0.170 4.293 4.120 0.005 0.000 0.258 345 V C 0.076 176.203 176.094 0.054 0.000 1.065 345 V CA -0.360 61.985 62.300 0.074 0.000 0.935 345 V CB 0.563 32.455 31.823 0.116 0.000 1.061 345 V HN 0.711 nan 8.190 nan 0.000 0.484 346 S N 5.416 121.132 115.700 0.027 0.000 2.462 346 S HA 0.747 5.220 4.470 0.005 0.000 0.294 346 S C -0.592 174.010 174.600 0.003 0.000 1.144 346 S CA -0.479 57.702 58.200 -0.032 0.000 1.088 346 S CB 0.559 63.739 63.200 -0.034 0.000 1.009 346 S HN 1.068 nan 8.310 nan 0.000 0.484 347 H N 0.052 119.098 119.070 -0.040 0.000 2.981 347 H HA 0.584 5.143 4.556 0.005 0.000 0.327 347 H C -0.496 174.797 175.328 -0.058 0.000 1.342 347 H CA -0.392 55.611 56.048 -0.075 0.000 1.123 347 H CB 0.872 30.567 29.762 -0.111 0.000 1.851 347 H HN 0.370 nan 8.280 nan 0.000 0.531 348 T N -2.419 112.218 114.554 0.139 0.000 3.487 348 T HA 0.172 4.524 4.350 0.005 0.000 0.287 348 T C 0.440 175.184 174.700 0.074 0.000 1.004 348 T CA 0.099 62.252 62.100 0.089 0.000 0.977 348 T CB -0.398 68.469 68.868 -0.003 0.000 1.180 348 T HN 0.622 nan 8.240 nan 0.000 0.490 349 T N 1.411 116.058 114.554 0.155 0.000 2.720 349 T HA 0.016 4.369 4.350 0.005 0.000 0.268 349 T C 0.560 175.036 174.700 -0.373 0.000 1.037 349 T CA 1.287 63.194 62.100 -0.322 0.000 1.144 349 T CB -0.378 68.002 68.868 -0.813 0.000 0.864 349 T HN 0.452 nan 8.240 nan 0.000 0.444 350 F N 1.317 121.264 119.950 -0.004 0.000 2.664 350 F HA 0.464 4.994 4.527 0.005 0.000 0.301 350 F C 1.610 177.373 175.800 -0.061 0.000 1.126 350 F CA -0.195 57.773 58.000 -0.054 0.000 1.373 350 F CB -0.545 38.428 39.000 -0.044 0.000 1.042 350 F HN 0.331 nan 8.300 nan 0.000 0.535 351 G N -0.163 108.656 108.800 0.033 0.000 2.500 351 G HA2 -0.007 3.956 3.960 0.005 0.000 0.209 351 G HA3 -0.007 3.956 3.960 0.005 0.000 0.209 351 G C -1.528 173.369 174.900 -0.006 0.000 1.283 351 G CA -0.648 44.390 45.100 -0.102 0.000 0.960 351 G HN 0.508 nan 8.290 nan 0.000 0.528 352 H N -1.226 117.715 119.070 -0.214 0.000 3.094 352 H HA 0.662 5.221 4.556 0.005 0.000 0.335 352 H C 0.487 175.821 175.328 0.009 0.000 1.254 352 H CA 1.884 57.893 56.048 -0.064 0.000 1.240 352 H CB 1.202 30.968 29.762 0.007 0.000 1.936 352 H HN 2.694 nan 8.280 nan 0.000 0.536 353 G N 1.081 109.643 108.800 -0.396 0.000 2.568 353 G HA2 -0.233 3.730 3.960 0.005 0.000 0.222 353 G HA3 -0.233 3.730 3.960 0.005 0.000 0.222 353 G C 1.035 175.913 174.900 -0.036 0.000 1.321 353 G CA 0.476 45.510 45.100 -0.110 0.000 0.893 353 G HN 1.454 nan 8.290 nan 0.000 0.569 354 S N -0.862 114.857 115.700 0.033 0.000 2.555 354 S HA 0.024 4.497 4.470 0.005 0.000 0.230 354 S C 1.191 175.705 174.600 -0.143 0.000 0.978 354 S CA 1.643 59.796 58.200 -0.078 0.000 0.934 354 S CB -0.241 62.848 63.200 -0.185 0.000 0.766 354 S HN 0.732 nan 8.310 nan 0.000 0.533 355 H N 0.573 119.627 119.070 -0.025 0.000 2.505 355 H HA 0.365 4.924 4.556 0.005 0.000 0.289 355 H C 0.026 175.333 175.328 -0.034 0.000 1.052 355 H CA -0.478 55.559 56.048 -0.018 0.000 1.156 355 H CB 0.036 29.799 29.762 0.001 0.000 1.507 355 H HN 0.344 nan 8.280 nan 0.000 0.548 356 L N 1.713 122.955 121.223 0.032 0.000 2.720 356 L HA -0.160 4.183 4.340 0.005 0.000 0.289 356 L C 0.935 177.812 176.870 0.012 0.000 1.232 356 L CA 0.110 54.957 54.840 0.012 0.000 0.915 356 L CB 0.181 42.231 42.059 -0.015 0.000 1.184 356 L HN 0.425 nan 8.230 nan 0.000 0.491 357 C N 5.516 124.832 119.300 0.028 0.000 2.155 357 C HA -0.090 4.373 4.460 0.005 0.000 0.396 357 C C 1.784 176.716 174.990 -0.096 0.000 1.545 357 C CA -0.200 58.819 59.018 0.002 0.000 1.442 357 C CB -0.947 26.839 27.740 0.077 0.000 2.553 357 C HN 0.789 nan 8.230 nan 0.000 0.598 358 L N 5.044 126.237 121.223 -0.050 0.000 2.492 358 L HA 0.167 4.510 4.340 0.005 0.000 0.223 358 L C 2.342 179.154 176.870 -0.097 0.000 1.132 358 L CA 1.210 56.016 54.840 -0.057 0.000 0.850 358 L CB -0.260 41.800 42.059 0.001 0.000 0.966 358 L HN 0.966 nan 8.230 nan 0.000 0.454 359 G N -0.804 107.925 108.800 -0.120 0.000 3.189 359 G HA2 -0.032 3.931 3.960 0.005 0.000 0.225 359 G HA3 -0.032 3.931 3.960 0.005 0.000 0.225 359 G C 1.305 176.047 174.900 -0.263 0.000 1.159 359 G CA -0.093 44.936 45.100 -0.118 0.000 0.763 359 G HN 0.493 nan 8.290 nan 0.000 0.549 360 Q N -0.206 119.250 119.800 -0.573 0.000 2.170 360 Q HA -0.158 4.185 4.340 0.005 0.000 0.203 360 Q C 1.736 177.296 176.000 -0.734 0.000 0.976 360 Q CA 1.161 56.318 55.803 -1.075 0.000 0.858 360 Q CB -0.499 27.064 28.738 -1.957 0.000 0.907 360 Q HN 0.450 nan 8.270 nan 0.000 0.433 361 H N 0.483 119.390 119.070 -0.272 0.000 2.389 361 H HA -0.050 4.509 4.556 0.005 0.000 0.299 361 H C 2.154 177.434 175.328 -0.080 0.000 1.081 361 H CA 1.298 57.259 56.048 -0.145 0.000 1.345 361 H CB -0.145 29.557 29.762 -0.099 0.000 1.393 361 H HN 0.256 nan 8.280 nan 0.000 0.520 362 L N 1.168 122.400 121.223 0.015 0.000 2.017 362 L HA -0.047 4.296 4.340 0.005 0.000 0.208 362 L C 2.584 179.468 176.870 0.023 0.000 1.073 362 L CA 1.821 56.676 54.840 0.024 0.000 0.745 362 L CB -0.896 41.175 42.059 0.021 0.000 0.894 362 L HN 0.170 nan 8.230 nan 0.000 0.432 363 A N -0.303 122.510 122.820 -0.011 0.000 1.883 363 A HA -0.247 4.076 4.320 0.005 0.000 0.217 363 A C 2.434 180.087 177.584 0.114 0.000 1.186 363 A CA 2.013 54.089 52.037 0.064 0.000 0.624 363 A CB -0.623 18.431 19.000 0.091 0.000 0.822 363 A HN 0.514 nan 8.150 nan 0.000 0.444 364 R N -1.322 119.220 120.500 0.069 0.000 2.081 364 R HA -0.153 4.190 4.340 0.005 0.000 0.235 364 R C 2.480 178.860 176.300 0.132 0.000 1.131 364 R CA 1.631 57.797 56.100 0.110 0.000 0.960 364 R CB -0.303 30.044 30.300 0.078 0.000 0.856 364 R HN 0.465 nan 8.270 nan 0.000 0.436 365 R N 1.597 122.167 120.500 0.117 0.000 2.081 365 R HA -0.138 4.205 4.340 0.005 0.000 0.235 365 R C 1.701 178.125 176.300 0.205 0.000 1.131 365 R CA 1.802 57.984 56.100 0.137 0.000 0.960 365 R CB -0.223 30.143 30.300 0.110 0.000 0.856 365 R HN 0.295 nan 8.270 nan 0.000 0.436 366 E N -0.443 119.894 120.200 0.229 0.000 2.110 366 E HA -0.155 4.198 4.350 0.005 0.000 0.193 366 E C 2.007 178.883 176.600 0.460 0.000 0.988 366 E CA 1.530 58.169 56.400 0.399 0.000 0.804 366 E CB -0.146 29.694 29.700 0.233 0.000 0.745 366 E HN 0.366 nan 8.360 nan 0.000 0.458 367 I N 0.738 121.509 120.570 0.335 0.000 2.163 367 I HA -0.261 3.912 4.170 0.005 0.000 0.240 367 I C 2.299 178.552 176.117 0.228 0.000 1.081 367 I CA 1.051 62.543 61.300 0.319 0.000 1.353 367 I CB -0.131 38.064 38.000 0.325 0.000 1.054 367 I HN 0.072 nan 8.210 nan 0.000 0.407 368 I N -0.200 120.481 120.570 0.185 0.000 2.226 368 I HA -0.254 3.919 4.170 0.005 0.000 0.245 368 I C 2.501 178.692 176.117 0.124 0.000 1.100 368 I CA 1.082 62.459 61.300 0.128 0.000 1.374 368 I CB -0.296 37.767 38.000 0.106 0.000 1.057 368 I HN 0.015 nan 8.210 nan 0.000 0.413 369 V N 0.519 120.530 119.914 0.162 0.000 2.287 369 V HA -0.314 3.809 4.120 0.005 0.000 0.248 369 V C 2.514 178.660 176.094 0.087 0.000 1.053 369 V CA 2.564 64.948 62.300 0.140 0.000 1.027 369 V CB -0.919 31.032 31.823 0.214 0.000 0.646 369 V HN 0.478 nan 8.190 nan 0.000 0.447 370 T N 0.639 115.250 114.554 0.095 0.000 2.684 370 T HA -0.174 4.179 4.350 0.005 0.000 0.267 370 T C 1.851 176.565 174.700 0.024 0.000 1.036 370 T CA 1.820 63.926 62.100 0.011 0.000 1.148 370 T CB -0.355 68.576 68.868 0.104 0.000 0.863 370 T HN 0.333 nan 8.240 nan 0.000 0.436 371 L N 0.520 121.774 121.223 0.052 0.000 2.083 371 L HA -0.070 4.273 4.340 0.005 0.000 0.209 371 L C 2.616 179.528 176.870 0.071 0.000 1.083 371 L CA 1.117 55.985 54.840 0.048 0.000 0.752 371 L CB -0.493 41.590 42.059 0.040 0.000 0.899 371 L HN 0.133 nan 8.230 nan 0.000 0.433 372 K N 0.376 120.811 120.400 0.058 0.000 2.057 372 K HA -0.145 4.178 4.320 0.005 0.000 0.206 372 K C 2.015 178.637 176.600 0.037 0.000 1.050 372 K CA 1.345 57.661 56.287 0.047 0.000 0.935 372 K CB -0.045 32.480 32.500 0.041 0.000 0.715 372 K HN 0.156 nan 8.250 nan 0.000 0.439 373 E N -0.508 119.709 120.200 0.027 0.000 2.208 373 E HA -0.161 4.192 4.350 0.005 0.000 0.193 373 E C 1.764 178.342 176.600 -0.038 0.000 0.988 373 E CA 0.531 56.926 56.400 -0.009 0.000 0.828 373 E CB -0.346 29.345 29.700 -0.015 0.000 0.763 373 E HN 0.477 nan 8.360 nan 0.000 0.478 374 W N 1.549 122.729 121.300 -0.201 0.000 2.413 374 W HA -0.075 4.589 4.660 0.006 0.000 0.315 374 W C 1.811 178.207 176.519 -0.204 0.000 1.186 374 W CA 0.862 58.033 57.345 -0.290 0.000 1.326 374 W CB -0.375 28.841 29.460 -0.406 0.000 1.153 374 W HN 0.003 nan 8.180 nan 0.000 0.489 375 L N 0.550 121.875 121.223 0.169 0.000 2.131 375 L HA -0.221 4.122 4.340 0.005 0.000 0.210 375 L C 2.422 179.298 176.870 0.010 0.000 1.092 375 L CA 1.625 56.552 54.840 0.146 0.000 0.759 375 L CB -1.247 40.911 42.059 0.165 0.000 0.903 375 L HN -0.118 nan 8.230 nan 0.000 0.435 376 T N -0.502 114.036 114.554 -0.026 0.000 2.720 376 T HA -0.192 4.161 4.350 0.005 0.000 0.268 376 T C 2.057 176.694 174.700 -0.104 0.000 1.037 376 T CA 1.493 63.562 62.100 -0.051 0.000 1.144 376 T CB -0.074 68.766 68.868 -0.045 0.000 0.864 376 T HN 0.351 nan 8.240 nan 0.000 0.444 377 R N -0.344 120.038 120.500 -0.197 0.000 2.175 377 R HA 0.346 4.689 4.340 0.005 0.000 0.202 377 R C 0.506 176.592 176.300 -0.358 0.000 1.018 377 R CA 0.580 56.520 56.100 -0.267 0.000 1.029 377 R CB 0.506 30.601 30.300 -0.341 0.000 0.959 377 R HN 0.300 nan 8.270 nan 0.000 0.480 378 I N 2.150 122.424 120.570 -0.492 0.000 2.871 378 I HA 0.177 4.349 4.170 0.005 0.000 0.284 378 I C -1.983 174.062 176.117 -0.120 0.000 1.390 378 I CA -1.553 59.413 61.300 -0.557 0.000 0.958 378 I CB 2.037 39.246 38.000 -1.317 0.000 1.618 378 I HN -0.126 nan 8.210 nan 0.000 0.595 379 P HA -0.091 nan 4.420 nan 0.000 0.219 379 P C 0.181 177.573 177.300 0.154 0.000 1.150 379 P CA 1.251 64.414 63.100 0.105 0.000 0.814 379 P CB 0.313 32.035 31.700 0.036 0.000 0.787 380 D N -0.598 119.891 120.400 0.148 0.000 2.505 380 D HA 0.494 5.137 4.640 0.005 0.000 0.249 380 D C -1.045 175.417 176.300 0.269 0.000 1.082 380 D CA -0.738 53.310 54.000 0.079 0.000 0.839 380 D CB 0.951 41.789 40.800 0.064 0.000 1.317 380 D HN -0.077 nan 8.370 nan 0.000 0.497 381 F N 0.252 120.264 119.950 0.103 0.000 2.703 381 F HA 0.726 5.255 4.527 0.003 0.000 0.308 381 F C -1.319 174.545 175.800 0.108 0.000 1.126 381 F CA -0.888 57.225 58.000 0.187 0.000 0.959 381 F CB 0.979 40.117 39.000 0.231 0.000 1.297 381 F HN 0.156 nan 8.300 nan 0.000 0.441 382 S N 1.643 117.523 115.700 0.300 0.000 2.661 382 S HA 0.662 5.135 4.470 0.005 0.000 0.285 382 S C -0.909 173.795 174.600 0.173 0.000 1.138 382 S CA -0.891 57.385 58.200 0.127 0.000 0.855 382 S CB 1.793 65.030 63.200 0.061 0.000 1.136 382 S HN 0.621 nan 8.310 nan 0.000 0.484 383 I N 2.012 122.633 120.570 0.085 0.000 2.752 383 I HA 0.154 4.327 4.170 0.005 0.000 0.287 383 I C 1.049 177.210 176.117 0.073 0.000 1.188 383 I CA -0.176 61.168 61.300 0.074 0.000 1.427 383 I CB -0.334 37.687 38.000 0.034 0.000 1.365 383 I HN 0.800 nan 8.210 nan 0.000 0.585 384 A N 8.640 131.503 122.820 0.072 0.000 2.483 384 A HA 0.328 4.651 4.320 0.005 0.000 0.238 384 A C -2.112 175.492 177.584 0.033 0.000 1.070 384 A CA -0.867 51.200 52.037 0.051 0.000 0.770 384 A CB -0.799 18.226 19.000 0.042 0.000 1.008 384 A HN 0.532 nan 8.150 nan 0.000 0.497 385 P HA 0.267 nan 4.420 nan 0.000 0.262 385 P C 0.859 178.168 177.300 0.014 0.000 1.199 385 P CA 1.753 64.862 63.100 0.016 0.000 0.763 385 P CB 0.451 32.158 31.700 0.011 0.000 0.790 386 G N 2.224 111.032 108.800 0.013 0.000 2.136 386 G HA2 -0.112 3.851 3.960 0.005 0.000 0.242 386 G HA3 -0.112 3.851 3.960 0.005 0.000 0.242 386 G C 0.331 175.240 174.900 0.014 0.000 0.989 386 G CA -0.097 45.010 45.100 0.012 0.000 0.682 386 G HN 0.841 nan 8.290 nan 0.000 0.522 387 A N -0.281 122.550 122.820 0.018 0.000 2.327 387 A HA 0.744 5.067 4.320 0.005 0.000 0.283 387 A C 0.241 177.836 177.584 0.018 0.000 1.127 387 A CA -0.142 51.908 52.037 0.022 0.000 0.810 387 A CB 0.702 19.720 19.000 0.030 0.000 1.066 387 A HN 0.252 nan 8.150 nan 0.000 0.492 388 Q N 2.144 121.954 119.800 0.016 0.000 2.357 388 Q HA 0.298 4.641 4.340 0.005 0.000 0.266 388 Q C -0.557 175.449 176.000 0.010 0.000 1.021 388 Q CA -0.523 55.285 55.803 0.009 0.000 0.784 388 Q CB 1.361 30.102 28.738 0.006 0.000 1.243 388 Q HN 0.643 nan 8.270 nan 0.000 0.465 389 I N 2.623 123.197 120.570 0.007 0.000 2.618 389 I HA -0.002 4.171 4.170 0.005 0.000 0.284 389 I C 0.560 176.673 176.117 -0.007 0.000 1.146 389 I CA 0.277 61.590 61.300 0.022 0.000 1.425 389 I CB 0.020 38.049 38.000 0.049 0.000 1.383 389 I HN 0.399 nan 8.210 nan 0.000 0.562 390 Q N 5.915 125.744 119.800 0.048 0.000 2.293 390 Q HA 0.433 4.776 4.340 0.005 0.000 0.261 390 Q C -0.744 175.376 176.000 0.199 0.000 0.960 390 Q CA -0.443 55.398 55.803 0.064 0.000 0.882 390 Q CB 1.818 30.595 28.738 0.065 0.000 1.275 390 Q HN 0.563 nan 8.270 nan 0.000 0.445 391 H N 0.957 120.092 119.070 0.107 0.000 2.544 391 H HA 0.487 5.046 4.556 0.004 0.000 0.342 391 H C -0.443 174.970 175.328 0.140 0.000 1.185 391 H CA -1.109 55.028 56.048 0.148 0.000 1.264 391 H CB 1.460 31.380 29.762 0.262 0.000 1.607 391 H HN 0.478 nan 8.280 nan 0.000 0.550 392 K N 0.431 121.000 120.400 0.281 0.000 2.426 392 K HA 0.572 4.895 4.320 0.005 0.000 0.251 392 K C -1.198 175.548 176.600 0.243 0.000 0.941 392 K CA -0.888 55.525 56.287 0.209 0.000 0.808 392 K CB 2.606 35.189 32.500 0.138 0.000 1.265 392 K HN 0.376 nan 8.250 nan 0.000 0.432 393 S N 0.212 116.062 115.700 0.249 0.000 2.568 393 S HA 0.914 5.387 4.470 0.005 0.000 0.302 393 S C -0.520 174.230 174.600 0.249 0.000 1.082 393 S CA 0.203 58.589 58.200 0.309 0.000 1.009 393 S CB 1.543 64.988 63.200 0.407 0.000 1.069 393 S HN 1.023 nan 8.310 nan 0.000 0.500 394 G N 2.103 111.007 108.800 0.172 0.000 2.392 394 G HA2 0.206 4.169 3.960 0.005 0.000 0.260 394 G HA3 0.206 4.169 3.960 0.005 0.000 0.260 394 G C 0.166 174.996 174.900 -0.117 0.000 1.226 394 G CA -0.327 44.777 45.100 0.007 0.000 0.913 394 G HN 0.535 nan 8.290 nan 0.000 0.483 395 I N 0.132 120.624 120.570 -0.129 0.000 2.226 395 I HA 0.032 4.205 4.170 0.005 0.000 0.245 395 I C 1.017 177.037 176.117 -0.162 0.000 1.100 395 I CA 1.479 62.626 61.300 -0.255 0.000 1.374 395 I CB -0.753 37.004 38.000 -0.404 0.000 1.057 395 I HN 0.029 nan 8.210 nan 0.000 0.413 396 V N 0.822 120.705 119.914 -0.052 0.000 2.448 396 V HA 0.293 4.415 4.120 0.005 0.000 0.295 396 V C 0.210 176.321 176.094 0.028 0.000 1.025 396 V CA -0.501 61.785 62.300 -0.024 0.000 0.859 396 V CB 1.888 33.722 31.823 0.020 0.000 0.988 396 V HN 0.121 nan 8.190 nan 0.000 0.431 397 S N 2.228 117.955 115.700 0.045 0.000 2.652 397 S HA 0.887 5.360 4.470 0.005 0.000 0.270 397 S C 0.399 175.146 174.600 0.246 0.000 1.243 397 S CA 0.179 58.473 58.200 0.158 0.000 0.999 397 S CB 1.680 64.951 63.200 0.119 0.000 0.973 397 S HN 1.167 nan 8.310 nan 0.000 0.544 398 G N -0.274 108.621 108.800 0.159 0.000 2.634 398 G HA2 0.548 4.511 3.960 0.005 0.000 0.309 398 G HA3 0.548 4.511 3.960 0.005 0.000 0.309 398 G C -1.905 172.756 174.900 -0.398 0.000 1.299 398 G CA -0.460 44.492 45.100 -0.246 0.000 0.798 398 G HN 0.630 nan 8.290 nan 0.000 0.490 399 V N 1.152 120.796 119.914 -0.450 0.000 2.448 399 V HA 0.334 4.457 4.120 0.005 0.000 0.295 399 V C 0.782 176.841 176.094 -0.058 0.000 1.025 399 V CA -0.516 61.645 62.300 -0.231 0.000 0.859 399 V CB 1.606 33.233 31.823 -0.328 0.000 0.988 399 V HN 0.734 nan 8.190 nan 0.000 0.431 400 Q N 2.510 122.332 119.800 0.037 0.000 2.123 400 Q HA 0.174 4.517 4.340 0.005 0.000 0.199 400 Q C 0.577 176.598 176.000 0.034 0.000 0.966 400 Q CA 1.209 57.034 55.803 0.038 0.000 0.845 400 Q CB 0.618 29.391 28.738 0.059 0.000 0.907 400 Q HN 0.915 nan 8.270 nan 0.000 0.439 401 A N -0.015 122.832 122.820 0.045 0.000 2.594 401 A HA 0.531 4.854 4.320 0.005 0.000 0.296 401 A C -1.905 175.718 177.584 0.065 0.000 1.061 401 A CA -0.609 51.459 52.037 0.053 0.000 0.689 401 A CB 1.193 20.224 19.000 0.052 0.000 1.280 401 A HN 0.091 nan 8.150 nan 0.000 0.406 402 L N 3.256 124.535 121.223 0.092 0.000 2.492 402 L HA 0.562 4.905 4.340 0.005 0.000 0.258 402 L C -2.628 174.314 176.870 0.119 0.000 1.028 402 L CA -1.537 53.358 54.840 0.092 0.000 0.900 402 L CB 1.865 43.977 42.059 0.087 0.000 1.191 402 L HN 0.440 nan 8.230 nan 0.000 0.459 403 P HA 0.281 nan 4.420 nan 0.000 0.287 403 P C -1.022 176.354 177.300 0.127 0.000 1.307 403 P CA -0.016 63.149 63.100 0.108 0.000 0.777 403 P CB 0.932 32.675 31.700 0.072 0.000 0.883 404 L N 3.978 125.319 121.223 0.196 0.000 2.334 404 L HA 0.718 5.061 4.340 0.005 0.000 0.273 404 L C 0.557 177.592 176.870 0.276 0.000 1.013 404 L CA -1.234 53.776 54.840 0.283 0.000 0.816 404 L CB 2.049 44.351 42.059 0.405 0.000 1.278 404 L HN 0.201 nan 8.230 nan 0.000 0.431 405 V N -1.207 118.896 119.914 0.315 0.000 2.962 405 V HA 0.798 4.921 4.120 0.005 0.000 0.313 405 V C -1.483 174.866 176.094 0.424 0.000 1.099 405 V CA -0.638 61.756 62.300 0.155 0.000 0.971 405 V CB 1.743 33.597 31.823 0.052 0.000 1.028 405 V HN 0.975 nan 8.190 nan 0.000 0.430 406 W N 0.683 122.052 121.300 0.115 0.000 3.066 406 W HA 0.754 5.414 4.660 -0.000 0.000 0.330 406 W C -1.694 174.861 176.519 0.060 0.000 1.253 406 W CA -0.698 56.714 57.345 0.111 0.000 1.187 406 W CB 1.073 30.620 29.460 0.145 0.000 1.434 406 W HN 0.667 nan 8.180 nan 0.000 0.572 407 D N 2.251 122.816 120.400 0.276 0.000 2.347 407 D HA 0.352 4.995 4.640 0.005 0.000 0.235 407 D C -1.448 174.987 176.300 0.226 0.000 1.149 407 D CA -2.532 51.554 54.000 0.143 0.000 0.850 407 D CB 1.941 42.804 40.800 0.106 0.000 1.061 407 D HN 0.069 nan 8.370 nan 0.000 0.487 408 P HA -0.137 nan 4.420 nan 0.000 0.217 408 P C 0.967 178.340 177.300 0.121 0.000 1.148 408 P CA 1.265 64.474 63.100 0.182 0.000 0.828 408 P CB 0.159 31.906 31.700 0.077 0.000 0.783 409 A N -0.515 122.353 122.820 0.081 0.000 2.125 409 A HA -0.140 4.183 4.320 0.005 0.000 0.219 409 A C 1.967 179.587 177.584 0.060 0.000 1.156 409 A CA 2.045 54.117 52.037 0.057 0.000 0.671 409 A CB -1.676 17.348 19.000 0.040 0.000 0.794 409 A HN 0.371 nan 8.150 nan 0.000 0.459 410 T N -2.537 112.070 114.554 0.087 0.000 3.122 410 T HA 0.209 4.562 4.350 0.005 0.000 0.250 410 T C 0.730 175.457 174.700 0.045 0.000 1.067 410 T CA 0.572 62.712 62.100 0.066 0.000 0.966 410 T CB -0.787 68.130 68.868 0.082 0.000 1.002 410 T HN 0.501 nan 8.240 nan 0.000 0.542 411 T N -0.190 114.391 114.554 0.046 0.000 2.897 411 T HA 0.619 4.972 4.350 0.005 0.000 0.278 411 T C -0.677 174.006 174.700 -0.027 0.000 0.981 411 T CA -1.015 61.075 62.100 -0.016 0.000 0.973 411 T CB 1.731 70.589 68.868 -0.017 0.000 1.092 411 T HN 0.553 nan 8.240 nan 0.000 0.543 412 K N -0.221 120.141 120.400 -0.063 0.000 2.513 412 K HA 0.678 5.001 4.320 0.005 0.000 0.251 412 K C -1.050 175.512 176.600 -0.063 0.000 0.939 412 K CA -1.128 55.131 56.287 -0.047 0.000 0.793 412 K CB 1.993 34.471 32.500 -0.036 0.000 1.241 412 K HN 0.758 nan 8.250 nan 0.000 0.431 413 A N 3.559 126.354 122.820 -0.042 0.000 2.396 413 A HA 0.419 4.741 4.320 0.005 0.000 0.279 413 A C 0.001 177.562 177.584 -0.037 0.000 1.165 413 A CA -0.463 51.548 52.037 -0.043 0.000 0.824 413 A CB 0.198 19.183 19.000 -0.024 0.000 1.100 413 A HN 0.511 nan 8.150 nan 0.000 0.516 414 V N 0.000 119.888 119.914 -0.044 0.000 2.409 414 V HA 0.000 4.123 4.120 0.005 0.000 0.244 414 V CA 0.000 62.280 62.300 -0.034 0.000 1.235 414 V CB 0.000 31.797 31.823 -0.042 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556