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 2e5b_1_B DATA FIRST_RESID 8 DATA SEQUENCE EFNILLATDS YKVTHYKQYP PNTSKVYSYF ECREKXXXXX XXXXXKYEET DATA SEQUENCE VFYGLQYILN KYLKGKVVTK EKIQEAKDVY KEHFQDDVFN EKGWNYILEK DATA SEQUENCE YDGHLPIEIK AVPEGFVIPR GNVLFTVENT DPECYWLTNW IETILVQSWY DATA SEQUENCE PITVATNSRE QKKILAKYLL ETSGNLDGLE YKLHDFGYRG VSSQETAGIG DATA SEQUENCE ASAHLVNFKG TDTVAGLALI KKYYGTKDPV PGYSVPAAEH STITAWGKDH DATA SEQUENCE EKDAFEHIVT QFSSVPVSVV SDSYDIYNAC EKIWGEDLRH LIVSRSTQAP DATA SEQUENCE LIIRPDSGNP LDTVLKVLEI LGKKFPVTEN SKGYKLLPPY LRVIQGDGVD DATA SEQUENCE INTLQEIVEG MKQKMWSIEN IAFGSGGGLL QKLTRDLLNC SFKCSYVVTN DATA SEQUENCE GLGINVFKDP VADPNKRSKK GRLSLHRTPA GNFVTLEEGK GDLEEYGQDL DATA SEQUENCE LHTVFKNGKV TKSYSFDEIR KNAQLN 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.662 176.600 0.104 0.000 1.382 8 E CA 0.000 56.446 56.400 0.076 0.000 0.976 8 E CB 0.000 29.720 29.700 0.034 0.000 0.812 9 F N 4.367 124.335 119.950 0.031 0.000 2.484 9 F HA 0.515 5.037 4.527 -0.009 0.000 0.360 9 F C -0.183 175.626 175.800 0.016 0.000 1.101 9 F CA 0.097 58.126 58.000 0.048 0.000 1.251 9 F CB 0.671 39.761 39.000 0.150 0.000 1.132 9 F HN 0.440 nan 8.300 nan 0.000 0.570 10 N N 6.983 125.202 118.700 -0.801 0.000 2.483 10 N HA 0.151 4.886 4.740 -0.008 0.000 0.267 10 N C 0.620 175.616 175.510 -0.858 0.000 0.998 10 N CA -0.408 52.277 53.050 -0.608 0.000 0.918 10 N CB 0.995 39.255 38.487 -0.377 0.000 1.215 10 N HN 0.925 nan 8.380 nan 0.000 0.500 11 I N 2.934 123.208 120.570 -0.492 0.000 2.454 11 I HA -0.198 3.968 4.170 -0.008 0.000 0.254 11 I C 0.915 177.040 176.117 0.014 0.000 1.156 11 I CA 0.974 62.193 61.300 -0.134 0.000 1.433 11 I CB 0.341 38.461 38.000 0.199 0.000 1.082 11 I HN 0.486 nan 8.210 nan 0.000 0.432 12 L N 0.103 121.210 121.223 -0.193 0.000 2.275 12 L HA -0.090 4.245 4.340 -0.008 0.000 0.215 12 L C 1.723 178.757 176.870 0.273 0.000 1.119 12 L CA 1.353 56.166 54.840 -0.044 0.000 0.790 12 L CB -0.357 41.439 42.059 -0.438 0.000 0.919 12 L HN 0.235 nan 8.230 nan 0.000 0.443 13 L N -1.199 119.998 121.223 -0.044 0.000 2.728 13 L HA 0.320 4.655 4.340 -0.008 0.000 0.238 13 L C 1.017 177.818 176.870 -0.115 0.000 1.143 13 L CA -0.163 54.616 54.840 -0.102 0.000 0.937 13 L CB 0.023 41.899 42.059 -0.306 0.000 1.225 13 L HN 0.079 nan 8.230 nan 0.000 0.507 14 A N -0.112 122.659 122.820 -0.082 0.000 3.264 14 A HA 0.529 4.844 4.320 -0.008 0.000 0.299 14 A C 0.136 177.721 177.584 0.002 0.000 1.272 14 A CA -0.022 51.978 52.037 -0.062 0.000 1.030 14 A CB 0.069 19.034 19.000 -0.058 0.000 1.102 14 A HN 0.125 nan 8.150 nan 0.000 0.615 15 T N -0.817 113.694 114.554 -0.072 0.000 2.843 15 T HA 0.304 4.649 4.350 -0.008 0.000 0.302 15 T C -1.432 173.194 174.700 -0.123 0.000 1.232 15 T CA -0.613 61.368 62.100 -0.200 0.000 1.009 15 T CB 1.104 69.568 68.868 -0.674 0.000 1.254 15 T HN 0.325 nan 8.240 nan 0.000 0.504 16 D N 2.190 122.547 120.400 -0.071 0.000 2.493 16 D HA 0.087 4.722 4.640 -0.008 0.000 0.240 16 D C 1.144 177.493 176.300 0.081 0.000 1.142 16 D CA 0.344 54.396 54.000 0.087 0.000 0.872 16 D CB 1.357 42.347 40.800 0.318 0.000 1.173 16 D HN 0.505 nan 8.370 nan 0.000 0.467 17 S N 2.074 117.881 115.700 0.179 0.000 2.372 17 S HA -0.264 4.201 4.470 -0.008 0.000 0.227 17 S C 1.856 176.657 174.600 0.335 0.000 1.044 17 S CA 1.376 59.736 58.200 0.267 0.000 1.050 17 S CB -0.481 62.907 63.200 0.313 0.000 0.901 17 S HN 0.720 nan 8.310 nan 0.000 0.447 18 Y N 1.177 121.495 120.300 0.030 0.000 2.403 18 Y HA 0.066 4.614 4.550 -0.002 0.000 0.291 18 Y C 1.800 177.354 175.900 -0.577 0.000 1.143 18 Y CA 0.700 58.752 58.100 -0.081 0.000 1.257 18 Y CB -0.397 38.063 38.460 0.001 0.000 0.984 18 Y HN 0.080 nan 8.280 nan 0.000 0.550 19 K N 0.742 120.647 120.400 -0.826 0.000 2.283 19 K HA -0.056 4.259 4.320 -0.008 0.000 0.202 19 K C 1.836 178.107 176.600 -0.548 0.000 1.048 19 K CA 1.067 56.747 56.287 -1.011 0.000 0.948 19 K CB -0.067 32.059 32.500 -0.623 0.000 0.742 19 K HN 0.264 nan 8.250 nan 0.000 0.458 20 V N 1.412 121.049 119.914 -0.462 0.000 2.594 20 V HA -0.223 3.892 4.120 -0.008 0.000 0.253 20 V C 2.309 178.380 176.094 -0.038 0.000 1.069 20 V CA 2.280 64.465 62.300 -0.190 0.000 1.082 20 V CB -0.795 30.783 31.823 -0.409 0.000 0.680 20 V HN 0.535 nan 8.190 nan 0.000 0.469 21 T N -3.887 110.535 114.554 -0.220 0.000 3.107 21 T HA 0.006 4.351 4.350 -0.008 0.000 0.249 21 T C 1.407 176.070 174.700 -0.062 0.000 1.096 21 T CA 0.470 62.467 62.100 -0.172 0.000 1.012 21 T CB -0.512 68.224 68.868 -0.219 0.000 0.977 21 T HN 0.621 nan 8.240 nan 0.000 0.527 22 H N 0.117 119.189 119.070 0.003 0.000 2.495 22 H HA 0.039 4.590 4.556 -0.009 0.000 0.287 22 H C 1.884 177.274 175.328 0.103 0.000 1.033 22 H CA 1.280 57.307 56.048 -0.036 0.000 1.307 22 H CB -0.192 29.552 29.762 -0.030 0.000 1.401 22 H HN 0.715 nan 8.280 nan 0.000 0.555 23 Y N 1.027 121.444 120.300 0.194 0.000 2.403 23 Y HA -0.057 4.488 4.550 -0.008 0.000 0.291 23 Y C 1.379 177.414 175.900 0.224 0.000 1.143 23 Y CA 0.584 58.802 58.100 0.196 0.000 1.257 23 Y CB -0.133 38.175 38.460 -0.253 0.000 0.984 23 Y HN -0.101 nan 8.280 nan 0.000 0.550 24 K N 0.277 120.372 120.400 -0.507 0.000 2.417 24 K HA 0.089 4.405 4.320 -0.008 0.000 0.196 24 K C 1.134 177.641 176.600 -0.155 0.000 1.023 24 K CA 0.278 56.323 56.287 -0.404 0.000 1.122 24 K CB 0.172 32.328 32.500 -0.574 0.000 0.850 24 K HN 0.559 nan 8.250 nan 0.000 0.521 25 Q N -0.844 118.904 119.800 -0.088 0.000 2.391 25 Q HA 0.101 4.436 4.340 -0.008 0.000 0.243 25 Q C -0.253 175.661 176.000 -0.142 0.000 0.874 25 Q CA -0.039 55.675 55.803 -0.148 0.000 0.950 25 Q CB 0.404 29.003 28.738 -0.231 0.000 1.103 25 Q HN 0.164 nan 8.270 nan 0.000 0.544 26 Y N 2.149 122.500 120.300 0.084 0.000 2.426 26 Y HA 0.079 4.625 4.550 -0.007 0.000 0.344 26 Y C -1.793 174.101 175.900 -0.010 0.000 1.256 26 Y CA -1.949 56.194 58.100 0.072 0.000 1.451 26 Y CB -0.349 38.234 38.460 0.205 0.000 1.342 26 Y HN 0.025 nan 8.280 nan 0.000 0.600 27 P HA 0.075 nan 4.420 nan 0.000 0.268 27 P C -2.551 174.732 177.300 -0.028 0.000 1.205 27 P CA -0.952 62.164 63.100 0.028 0.000 0.771 27 P CB 0.007 31.713 31.700 0.011 0.000 0.858 28 P HA -0.034 nan 4.420 nan 0.000 0.265 28 P C -0.087 177.148 177.300 -0.109 0.000 1.187 28 P CA 0.574 63.629 63.100 -0.075 0.000 0.766 28 P CB 0.068 31.739 31.700 -0.048 0.000 0.820 29 N N -1.192 117.418 118.700 -0.150 0.000 2.780 29 N HA -0.124 4.612 4.740 -0.008 0.000 0.248 29 N C -0.767 174.628 175.510 -0.192 0.000 1.102 29 N CA 1.004 53.964 53.050 -0.151 0.000 0.697 29 N CB -2.310 36.122 38.487 -0.091 0.000 1.028 29 N HN 0.363 nan 8.380 nan 0.000 0.554 30 T N 0.134 114.499 114.554 -0.316 0.000 2.749 30 T HA 0.326 4.671 4.350 -0.008 0.000 0.295 30 T C 1.440 175.937 174.700 -0.339 0.000 0.936 30 T CA 0.166 62.072 62.100 -0.323 0.000 1.060 30 T CB 1.070 69.729 68.868 -0.347 0.000 0.904 30 T HN 0.343 nan 8.240 nan 0.000 0.500 31 S N 2.678 118.282 115.700 -0.161 0.000 2.502 31 S HA 0.260 4.725 4.470 -0.008 0.000 0.215 31 S C 0.472 175.069 174.600 -0.004 0.000 1.009 31 S CA -0.303 57.857 58.200 -0.067 0.000 0.908 31 S CB 0.285 63.459 63.200 -0.044 0.000 0.801 31 S HN 0.570 nan 8.310 nan 0.000 0.505 32 K N 0.771 121.156 120.400 -0.025 0.000 2.513 32 K HA 0.611 4.926 4.320 -0.008 0.000 0.251 32 K C -2.118 174.483 176.600 0.002 0.000 0.939 32 K CA -0.599 55.702 56.287 0.022 0.000 0.793 32 K CB 2.425 34.962 32.500 0.063 0.000 1.241 32 K HN 0.049 nan 8.250 nan 0.000 0.431 33 V N 4.620 124.560 119.914 0.042 0.000 2.487 33 V HA 0.388 4.504 4.120 -0.008 0.000 0.298 33 V C -1.379 174.836 176.094 0.201 0.000 1.028 33 V CA -0.780 61.556 62.300 0.061 0.000 0.860 33 V CB 1.367 33.149 31.823 -0.068 0.000 0.991 33 V HN 0.751 nan 8.190 nan 0.000 0.427 34 Y N 3.667 124.044 120.300 0.128 0.000 2.338 34 Y HA 0.726 5.271 4.550 -0.008 0.000 0.333 34 Y C -0.045 175.945 175.900 0.150 0.000 0.968 34 Y CA -0.039 58.163 58.100 0.171 0.000 1.123 34 Y CB 1.908 40.533 38.460 0.275 0.000 1.165 34 Y HN 0.651 nan 8.280 nan 0.000 0.452 35 S N 5.017 120.587 115.700 -0.216 0.000 2.667 35 S HA 0.644 5.109 4.470 -0.008 0.000 0.292 35 S C -1.767 172.534 174.600 -0.499 0.000 1.126 35 S CA -0.736 57.296 58.200 -0.279 0.000 0.881 35 S CB 1.828 64.841 63.200 -0.311 0.000 1.132 35 S HN 0.698 nan 8.310 nan 0.000 0.492 36 Y N -0.599 119.253 120.300 -0.746 0.000 2.597 36 Y HA 0.806 5.351 4.550 -0.007 0.000 0.340 36 Y C -1.834 173.664 175.900 -0.670 0.000 1.097 36 Y CA -1.523 56.206 58.100 -0.618 0.000 1.037 36 Y CB 0.923 39.177 38.460 -0.343 0.000 1.305 36 Y HN 0.589 nan 8.280 nan 0.000 0.463 37 F N 3.052 122.479 119.950 -0.871 0.000 2.458 37 F HA 0.614 5.137 4.527 -0.008 0.000 0.336 37 F C -0.724 174.832 175.800 -0.406 0.000 1.114 37 F CA -0.296 57.224 58.000 -0.799 0.000 0.987 37 F CB 1.343 39.561 39.000 -1.304 0.000 1.130 37 F HN 0.791 nan 8.300 nan 0.000 0.458 38 E N 3.638 123.448 120.200 -0.649 0.000 2.429 38 E HA 0.479 4.824 4.350 -0.008 0.000 0.276 38 E C -1.833 174.517 176.600 -0.417 0.000 0.953 38 E CA -1.148 55.095 56.400 -0.261 0.000 0.787 38 E CB 1.550 31.257 29.700 0.011 0.000 1.307 38 E HN 0.510 nan 8.360 nan 0.000 0.458 39 C N 2.395 121.631 119.300 -0.107 0.000 2.176 39 C HA 0.391 4.847 4.460 -0.008 0.000 0.329 39 C C 0.393 175.362 174.990 -0.035 0.000 1.113 39 C CA -0.618 58.365 59.018 -0.058 0.000 1.562 39 C CB -1.452 26.336 27.740 0.080 0.000 2.040 39 C HN 0.525 nan 8.230 nan 0.000 0.460 40 R N 1.687 122.145 120.500 -0.070 0.000 2.698 40 R HA 0.069 4.404 4.340 -0.008 0.000 0.266 40 R C 0.476 176.778 176.300 0.003 0.000 1.026 40 R CA 0.301 56.384 56.100 -0.028 0.000 1.102 40 R CB 0.768 31.044 30.300 -0.039 0.000 0.978 40 R HN 0.704 nan 8.270 nan 0.000 0.436 41 E N 2.650 122.860 120.200 0.018 0.000 2.390 41 E HA 0.001 4.346 4.350 -0.008 0.000 0.261 41 E C -0.208 176.409 176.600 0.027 0.000 1.076 41 E CA -0.220 56.197 56.400 0.029 0.000 0.905 41 E CB 0.644 30.362 29.700 0.030 0.000 0.984 41 E HN 0.503 nan 8.360 nan 0.000 0.427 54 Y N 0.603 120.925 120.300 0.036 0.000 3.091 54 Y HA -0.168 4.378 4.550 -0.008 0.000 0.189 54 Y C 0.533 176.459 175.900 0.043 0.000 1.520 54 Y CA 1.001 59.127 58.100 0.043 0.000 1.121 54 Y CB -2.209 36.282 38.460 0.052 0.000 1.411 54 Y HN 0.652 nan 8.280 nan 0.000 0.459 55 E N 0.773 121.049 120.200 0.126 0.000 2.204 55 E HA -0.125 4.220 4.350 -0.008 0.000 0.194 55 E C 0.770 177.430 176.600 0.101 0.000 0.989 55 E CA 1.334 57.792 56.400 0.096 0.000 0.824 55 E CB 0.198 29.933 29.700 0.059 0.000 0.756 55 E HN 0.767 nan 8.360 nan 0.000 0.477 56 E N 0.438 120.706 120.200 0.112 0.000 2.314 56 E HA 0.335 4.681 4.350 -0.008 0.000 0.272 56 E C -0.772 175.899 176.600 0.120 0.000 0.884 56 E CA -0.843 55.615 56.400 0.097 0.000 0.753 56 E CB 1.755 31.499 29.700 0.074 0.000 1.213 56 E HN -0.118 nan 8.360 nan 0.000 0.432 57 T N -1.138 113.482 114.554 0.109 0.000 2.856 57 T HA 0.454 4.799 4.350 -0.008 0.000 0.283 57 T C -0.128 174.650 174.700 0.129 0.000 1.008 57 T CA -0.812 61.369 62.100 0.135 0.000 0.997 57 T CB 1.392 70.361 68.868 0.168 0.000 0.992 57 T HN 0.283 nan 8.240 nan 0.000 0.454 58 V N 3.876 123.863 119.914 0.122 0.000 2.408 58 V HA 0.289 4.404 4.120 -0.008 0.000 0.267 58 V C -0.130 176.079 176.094 0.191 0.000 1.047 58 V CA -0.731 61.637 62.300 0.114 0.000 0.937 58 V CB -0.226 31.615 31.823 0.030 0.000 0.999 58 V HN 0.867 nan 8.190 nan 0.000 0.472 59 F N 7.780 127.784 119.950 0.091 0.000 2.438 59 F HA 0.498 5.019 4.527 -0.009 0.000 0.360 59 F C -0.546 175.331 175.800 0.129 0.000 1.118 59 F CA -0.387 57.676 58.000 0.105 0.000 1.164 59 F CB 0.037 39.090 39.000 0.088 0.000 1.131 59 F HN 0.533 nan 8.300 nan 0.000 0.527 60 Y N 4.428 124.389 120.300 -0.565 0.000 2.482 60 Y HA 0.544 5.089 4.550 -0.008 0.000 0.334 60 Y C 0.068 175.668 175.900 -0.500 0.000 1.091 60 Y CA -0.645 57.165 58.100 -0.485 0.000 1.027 60 Y CB 1.986 40.271 38.460 -0.292 0.000 1.306 60 Y HN 0.688 nan 8.280 nan 0.000 0.446 61 G N 3.434 111.506 108.800 -1.214 0.000 2.336 61 G HA2 -0.252 3.703 3.960 -0.008 0.000 0.194 61 G HA3 -0.252 3.703 3.960 -0.008 0.000 0.194 61 G C 0.440 175.055 174.900 -0.475 0.000 0.999 61 G CA 0.137 44.666 45.100 -0.951 0.000 0.669 61 G HN 0.899 nan 8.290 nan 0.000 0.482 62 L N 1.425 122.340 121.223 -0.514 0.000 2.046 62 L HA 0.119 4.454 4.340 -0.008 0.000 0.208 62 L C 2.666 179.405 176.870 -0.219 0.000 1.077 62 L CA 3.296 57.920 54.840 -0.360 0.000 0.747 62 L CB -0.589 41.283 42.059 -0.311 0.000 0.896 62 L HN 0.513 nan 8.230 nan 0.000 0.432 63 Q N -1.882 117.846 119.800 -0.121 0.000 2.096 63 Q HA -0.313 4.023 4.340 -0.008 0.000 0.204 63 Q C 2.262 178.102 176.000 -0.266 0.000 0.982 63 Q CA 2.256 57.977 55.803 -0.137 0.000 0.850 63 Q CB -0.484 28.186 28.738 -0.114 0.000 0.901 63 Q HN 0.664 nan 8.270 nan 0.000 0.422 64 Y N 0.718 120.765 120.300 -0.422 0.000 2.081 64 Y HA -0.276 4.269 4.550 -0.008 0.000 0.280 64 Y C 1.764 177.322 175.900 -0.571 0.000 1.163 64 Y CA 2.114 59.848 58.100 -0.611 0.000 1.135 64 Y CB -0.348 37.826 38.460 -0.477 0.000 0.970 64 Y HN 0.139 nan 8.280 nan 0.000 0.498 65 I N -0.184 120.133 120.570 -0.421 0.000 2.226 65 I HA -0.347 3.818 4.170 -0.008 0.000 0.245 65 I C 2.400 178.307 176.117 -0.349 0.000 1.100 65 I CA 1.459 62.538 61.300 -0.369 0.000 1.374 65 I CB -0.504 37.395 38.000 -0.167 0.000 1.057 65 I HN 0.282 nan 8.210 nan 0.000 0.413 66 L N 0.300 121.347 121.223 -0.292 0.000 2.012 66 L HA -0.239 4.097 4.340 -0.008 0.000 0.210 66 L C 2.110 178.894 176.870 -0.143 0.000 1.073 66 L CA 1.897 56.610 54.840 -0.212 0.000 0.748 66 L CB -0.824 41.180 42.059 -0.092 0.000 0.891 66 L HN 0.309 nan 8.230 nan 0.000 0.431 67 N N -0.309 118.273 118.700 -0.197 0.000 2.135 67 N HA -0.168 4.567 4.740 -0.008 0.000 0.186 67 N C 1.819 177.199 175.510 -0.217 0.000 1.027 67 N CA 0.896 53.876 53.050 -0.116 0.000 0.849 67 N CB -0.009 38.497 38.487 0.032 0.000 1.002 67 N HN 0.204 nan 8.380 nan 0.000 0.425 68 K N -0.653 119.404 120.400 -0.571 0.000 2.103 68 K HA -0.074 4.241 4.320 -0.008 0.000 0.204 68 K C 0.745 176.838 176.600 -0.846 0.000 1.052 68 K CA 1.247 57.027 56.287 -0.845 0.000 0.945 68 K CB 0.115 31.631 32.500 -1.640 0.000 0.722 68 K HN 0.230 nan 8.250 nan 0.000 0.443 69 Y N -0.902 119.134 120.300 -0.440 0.000 2.589 69 Y HA 0.204 4.750 4.550 -0.007 0.000 0.271 69 Y C 1.540 177.352 175.900 -0.146 0.000 1.107 69 Y CA -0.010 57.839 58.100 -0.418 0.000 1.273 69 Y CB 0.470 38.596 38.460 -0.556 0.000 1.266 69 Y HN -0.102 nan 8.280 nan 0.000 0.504 70 L N 0.256 121.469 121.223 -0.016 0.000 2.470 70 L HA 0.124 4.459 4.340 -0.008 0.000 0.219 70 L C 0.696 177.670 176.870 0.174 0.000 1.071 70 L CA 0.069 54.901 54.840 -0.014 0.000 0.850 70 L CB 0.016 41.857 42.059 -0.363 0.000 1.040 70 L HN -0.007 nan 8.230 nan 0.000 0.475 71 K N 0.703 121.220 120.400 0.195 0.000 2.154 71 K HA 0.530 4.846 4.320 -0.008 0.000 0.264 71 K C 0.558 177.173 176.600 0.025 0.000 1.008 71 K CA 0.224 56.655 56.287 0.241 0.000 0.937 71 K CB 0.988 33.592 32.500 0.173 0.000 1.002 71 K HN 0.048 nan 8.250 nan 0.000 0.469 72 G N 1.204 109.939 108.800 -0.108 0.000 2.593 72 G HA2 -0.327 3.628 3.960 -0.008 0.000 0.237 72 G HA3 -0.327 3.628 3.960 -0.008 0.000 0.237 72 G C -1.037 173.424 174.900 -0.733 0.000 1.312 72 G CA 0.102 44.974 45.100 -0.381 0.000 0.896 72 G HN 0.878 nan 8.290 nan 0.000 0.574 73 K N 0.469 120.567 120.400 -0.502 0.000 2.278 73 K HA 0.437 4.752 4.320 -0.008 0.000 0.289 73 K C 1.487 178.046 176.600 -0.068 0.000 1.080 73 K CA 0.285 56.425 56.287 -0.245 0.000 0.934 73 K CB 0.335 32.826 32.500 -0.016 0.000 1.093 73 K HN 1.215 nan 8.250 nan 0.000 0.459 74 V N 1.532 121.439 119.914 -0.012 0.000 3.643 74 V HA 0.184 4.300 4.120 -0.008 0.000 0.280 74 V C 0.115 176.250 176.094 0.067 0.000 1.351 74 V CA -0.267 62.074 62.300 0.069 0.000 1.073 74 V CB 0.586 32.488 31.823 0.132 0.000 0.863 74 V HN 0.243 nan 8.190 nan 0.000 0.436 75 V N 2.349 122.317 119.914 0.090 0.000 2.448 75 V HA 0.748 4.863 4.120 -0.008 0.000 0.295 75 V C 0.163 176.306 176.094 0.080 0.000 1.025 75 V CA 0.446 62.801 62.300 0.092 0.000 0.859 75 V CB 1.179 33.144 31.823 0.236 0.000 0.988 75 V HN 0.641 nan 8.190 nan 0.000 0.431 76 T N 0.641 115.221 114.554 0.044 0.000 2.901 76 T HA 0.482 4.827 4.350 -0.008 0.000 0.293 76 T C 0.647 175.371 174.700 0.040 0.000 1.084 76 T CA -0.867 61.259 62.100 0.044 0.000 1.008 76 T CB 2.198 71.081 68.868 0.024 0.000 1.170 76 T HN 0.277 nan 8.240 nan 0.000 0.509 77 K N 0.728 121.154 120.400 0.043 0.000 2.074 77 K HA -0.135 4.180 4.320 -0.008 0.000 0.209 77 K C 1.922 178.535 176.600 0.021 0.000 1.048 77 K CA 1.822 58.135 56.287 0.043 0.000 0.926 77 K CB -0.435 32.088 32.500 0.038 0.000 0.713 77 K HN 0.717 nan 8.250 nan 0.000 0.444 78 E N 0.577 120.779 120.200 0.004 0.000 2.077 78 E HA -0.116 4.229 4.350 -0.008 0.000 0.193 78 E C 1.966 178.538 176.600 -0.046 0.000 0.989 78 E CA 1.274 57.663 56.400 -0.018 0.000 0.800 78 E CB -0.035 29.654 29.700 -0.018 0.000 0.746 78 E HN 0.253 nan 8.360 nan 0.000 0.452 79 K N 0.078 120.446 120.400 -0.054 0.000 2.097 79 K HA -0.029 4.287 4.320 -0.008 0.000 0.205 79 K C 2.092 178.614 176.600 -0.130 0.000 1.050 79 K CA 0.928 57.150 56.287 -0.107 0.000 0.938 79 K CB -0.111 32.321 32.500 -0.114 0.000 0.718 79 K HN 0.125 nan 8.250 nan 0.000 0.442 80 I N 0.806 121.345 120.570 -0.050 0.000 2.179 80 I HA -0.286 3.879 4.170 -0.008 0.000 0.242 80 I C 2.615 178.728 176.117 -0.007 0.000 1.088 80 I CA 1.092 62.411 61.300 0.031 0.000 1.357 80 I CB -0.170 37.924 38.000 0.157 0.000 1.051 80 I HN 0.143 nan 8.210 nan 0.000 0.409 81 Q N 1.192 120.985 119.800 -0.012 0.000 2.084 81 Q HA -0.256 4.079 4.340 -0.008 0.000 0.202 81 Q C 2.017 177.952 176.000 -0.107 0.000 0.978 81 Q CA 1.836 57.622 55.803 -0.029 0.000 0.844 81 Q CB -0.233 28.498 28.738 -0.011 0.000 0.898 81 Q HN 0.458 nan 8.270 nan 0.000 0.426 82 E N -0.977 119.139 120.200 -0.141 0.000 2.058 82 E HA -0.230 4.115 4.350 -0.008 0.000 0.194 82 E C 1.729 178.145 176.600 -0.308 0.000 0.997 82 E CA 1.176 57.461 56.400 -0.192 0.000 0.801 82 E CB -0.227 29.363 29.700 -0.182 0.000 0.746 82 E HN 0.439 nan 8.360 nan 0.000 0.450 83 A N 1.479 124.054 122.820 -0.408 0.000 1.902 83 A HA -0.216 4.100 4.320 -0.008 0.000 0.217 83 A C 2.123 179.255 177.584 -0.755 0.000 1.181 83 A CA 1.740 53.379 52.037 -0.664 0.000 0.623 83 A CB -0.515 18.067 19.000 -0.698 0.000 0.818 83 A HN 0.211 nan 8.150 nan 0.000 0.443 84 K N -0.454 119.554 120.400 -0.653 0.000 2.044 84 K HA -0.233 4.082 4.320 -0.008 0.000 0.210 84 K C 1.329 177.866 176.600 -0.104 0.000 1.049 84 K CA 1.927 58.041 56.287 -0.289 0.000 0.927 84 K CB -0.253 32.270 32.500 0.038 0.000 0.713 84 K HN 0.417 nan 8.250 nan 0.000 0.443 85 D N 0.099 120.422 120.400 -0.128 0.000 2.144 85 D HA -0.116 4.519 4.640 -0.008 0.000 0.200 85 D C 1.993 178.234 176.300 -0.099 0.000 0.978 85 D CA 0.822 54.776 54.000 -0.077 0.000 0.833 85 D CB -0.139 40.613 40.800 -0.079 0.000 0.961 85 D HN 0.053 nan 8.370 nan 0.000 0.470 86 V N 0.600 120.379 119.914 -0.225 0.000 2.270 86 V HA -0.247 3.868 4.120 -0.008 0.000 0.245 86 V C 2.085 178.087 176.094 -0.153 0.000 1.043 86 V CA 1.358 63.489 62.300 -0.282 0.000 1.014 86 V CB -0.650 30.865 31.823 -0.514 0.000 0.645 86 V HN 0.128 nan 8.190 nan 0.000 0.447 87 Y N 0.498 120.804 120.300 0.011 0.000 2.352 87 Y HA -0.131 4.414 4.550 -0.009 0.000 0.292 87 Y C 2.434 178.523 175.900 0.314 0.000 1.136 87 Y CA 1.239 59.491 58.100 0.254 0.000 1.227 87 Y CB -0.579 38.061 38.460 0.299 0.000 0.991 87 Y HN 0.200 nan 8.280 nan 0.000 0.545 88 K N 0.303 120.881 120.400 0.297 0.000 2.103 88 K HA -0.194 4.121 4.320 -0.008 0.000 0.207 88 K C 1.657 178.371 176.600 0.191 0.000 1.048 88 K CA 1.700 58.123 56.287 0.227 0.000 0.930 88 K CB 0.133 32.715 32.500 0.137 0.000 0.716 88 K HN 0.212 nan 8.250 nan 0.000 0.444 89 E N -0.612 119.673 120.200 0.142 0.000 2.122 89 E HA -0.147 4.198 4.350 -0.008 0.000 0.190 89 E C 1.952 178.620 176.600 0.113 0.000 0.977 89 E CA 0.803 57.261 56.400 0.097 0.000 0.820 89 E CB -0.370 29.356 29.700 0.044 0.000 0.770 89 E HN 0.509 nan 8.360 nan 0.000 0.462 90 H N -0.848 118.233 119.070 0.018 0.000 2.387 90 H HA -0.076 4.475 4.556 -0.008 0.000 0.299 90 H C 1.192 176.395 175.328 -0.207 0.000 1.090 90 H CA 1.165 57.147 56.048 -0.111 0.000 1.332 90 H CB 0.126 29.806 29.762 -0.138 0.000 1.386 90 H HN 0.082 nan 8.280 nan 0.000 0.516 91 F N 0.310 120.306 119.950 0.077 0.000 2.746 91 F HA 0.089 4.611 4.527 -0.008 0.000 0.297 91 F C 0.883 176.691 175.800 0.012 0.000 1.113 91 F CA 0.011 58.013 58.000 0.004 0.000 1.367 91 F CB 0.418 39.461 39.000 0.071 0.000 1.111 91 F HN 0.007 nan 8.300 nan 0.000 0.590 92 Q N 1.478 121.385 119.800 0.180 0.000 2.468 92 Q HA -0.246 4.089 4.340 -0.008 0.000 0.289 92 Q C -1.078 175.003 176.000 0.136 0.000 1.299 92 Q CA 1.241 57.117 55.803 0.121 0.000 0.838 92 Q CB -1.633 27.144 28.738 0.066 0.000 1.195 92 Q HN 0.545 nan 8.270 nan 0.000 0.456 93 D N -1.106 119.403 120.400 0.182 0.000 2.720 93 D HA 0.141 4.776 4.640 -0.008 0.000 0.239 93 D C -1.417 174.980 176.300 0.162 0.000 1.218 93 D CA -0.478 53.608 54.000 0.144 0.000 0.748 93 D CB 0.855 41.727 40.800 0.120 0.000 1.387 93 D HN -0.101 nan 8.370 nan 0.000 0.438 94 D N 2.287 122.760 120.400 0.123 0.000 3.057 94 D HA 0.111 4.747 4.640 -0.008 0.000 0.246 94 D C 0.829 177.203 176.300 0.124 0.000 1.238 94 D CA 0.010 54.097 54.000 0.146 0.000 0.949 94 D CB 0.156 41.029 40.800 0.123 0.000 1.086 94 D HN 0.100 nan 8.370 nan 0.000 0.487 95 V N 1.783 121.744 119.914 0.079 0.000 3.306 95 V HA 0.110 4.226 4.120 -0.008 0.000 0.264 95 V C 0.609 176.767 176.094 0.107 0.000 1.149 95 V CA 0.001 62.302 62.300 0.001 0.000 1.143 95 V CB -0.683 30.991 31.823 -0.249 0.000 0.767 95 V HN 0.267 nan 8.190 nan 0.000 0.476 96 F N 2.182 122.136 119.950 0.008 0.000 2.578 96 F HA 0.178 4.700 4.527 -0.009 0.000 0.376 96 F C 0.707 176.474 175.800 -0.055 0.000 1.085 96 F CA -0.184 57.829 58.000 0.021 0.000 1.260 96 F CB 0.122 39.225 39.000 0.172 0.000 1.095 96 F HN 0.117 nan 8.300 nan 0.000 0.573 97 N N 5.164 123.199 118.700 -1.108 0.000 3.050 97 N HA -0.042 4.693 4.740 -0.008 0.000 0.289 97 N C 1.149 175.942 175.510 -1.195 0.000 1.209 97 N CA 0.324 52.573 53.050 -1.334 0.000 1.154 97 N CB -0.380 36.887 38.487 -2.033 0.000 1.444 97 N HN 0.885 nan 8.380 nan 0.000 0.529 98 E N 1.416 121.138 120.200 -0.796 0.000 2.110 98 E HA -0.226 4.119 4.350 -0.008 0.000 0.193 98 E C 1.194 177.701 176.600 -0.155 0.000 0.988 98 E CA 1.129 57.352 56.400 -0.295 0.000 0.804 98 E CB 0.252 29.982 29.700 0.049 0.000 0.745 98 E HN 0.390 nan 8.360 nan 0.000 0.458 99 K N -0.525 119.753 120.400 -0.204 0.000 2.097 99 K HA -0.092 4.223 4.320 -0.008 0.000 0.206 99 K C 1.987 178.523 176.600 -0.106 0.000 1.049 99 K CA 1.275 57.498 56.287 -0.107 0.000 0.933 99 K CB -0.295 32.144 32.500 -0.103 0.000 0.717 99 K HN 0.245 nan 8.250 nan 0.000 0.442 100 G N -0.350 108.248 108.800 -0.336 0.000 2.404 100 G HA2 -0.232 3.723 3.960 -0.008 0.000 0.215 100 G HA3 -0.232 3.723 3.960 -0.008 0.000 0.215 100 G C 1.042 175.911 174.900 -0.052 0.000 1.174 100 G CA 0.676 45.601 45.100 -0.291 0.000 0.780 100 G HN 0.377 nan 8.290 nan 0.000 0.537 101 W N 0.908 122.138 121.300 -0.118 0.000 2.436 101 W HA 0.087 4.741 4.660 -0.009 0.000 0.284 101 W C 2.505 179.074 176.519 0.083 0.000 1.225 101 W CA 0.315 57.674 57.345 0.024 0.000 1.271 101 W CB 0.031 29.456 29.460 -0.058 0.000 1.114 101 W HN 0.090 nan 8.180 nan 0.000 0.559 102 N N -0.357 118.496 118.700 0.256 0.000 2.166 102 N HA -0.236 4.499 4.740 -0.008 0.000 0.186 102 N C 1.430 177.050 175.510 0.184 0.000 1.019 102 N CA 1.387 54.552 53.050 0.192 0.000 0.856 102 N CB -0.912 37.655 38.487 0.133 0.000 0.993 102 N HN 0.248 nan 8.380 nan 0.000 0.426 103 Y N 1.712 122.061 120.300 0.082 0.000 2.128 103 Y HA -0.136 4.409 4.550 -0.008 0.000 0.284 103 Y C 2.232 178.202 175.900 0.117 0.000 1.154 103 Y CA 1.495 59.640 58.100 0.075 0.000 1.149 103 Y CB -0.410 38.092 38.460 0.070 0.000 0.976 103 Y HN -0.027 nan 8.280 nan 0.000 0.505 104 I N -0.600 120.112 120.570 0.236 0.000 2.226 104 I HA -0.291 3.874 4.170 -0.008 0.000 0.245 104 I C 2.317 178.543 176.117 0.182 0.000 1.100 104 I CA 1.263 62.701 61.300 0.231 0.000 1.374 104 I CB -0.495 37.643 38.000 0.230 0.000 1.057 104 I HN 0.322 nan 8.210 nan 0.000 0.413 105 L N 0.826 122.156 121.223 0.179 0.000 2.017 105 L HA -0.214 4.121 4.340 -0.008 0.000 0.208 105 L C 2.325 179.224 176.870 0.049 0.000 1.073 105 L CA 1.964 56.887 54.840 0.139 0.000 0.745 105 L CB -0.555 41.592 42.059 0.146 0.000 0.894 105 L HN 0.200 nan 8.230 nan 0.000 0.432 106 E N -0.914 119.274 120.200 -0.020 0.000 2.076 106 E HA -0.213 4.133 4.350 -0.008 0.000 0.190 106 E C 2.065 178.541 176.600 -0.206 0.000 0.979 106 E CA 0.980 57.327 56.400 -0.087 0.000 0.807 106 E CB 0.003 29.657 29.700 -0.077 0.000 0.761 106 E HN 0.266 nan 8.360 nan 0.000 0.454 107 K N -0.143 120.020 120.400 -0.395 0.000 2.116 107 K HA -0.062 4.253 4.320 -0.008 0.000 0.203 107 K C 0.630 176.822 176.600 -0.679 0.000 1.052 107 K CA 1.105 56.985 56.287 -0.678 0.000 0.952 107 K CB 0.188 31.960 32.500 -1.212 0.000 0.729 107 K HN 0.093 nan 8.250 nan 0.000 0.446 108 Y N -0.168 120.049 120.300 -0.139 0.000 2.641 108 Y HA 0.225 4.770 4.550 -0.008 0.000 0.248 108 Y C -0.402 175.499 175.900 0.002 0.000 1.170 108 Y CA -0.547 57.511 58.100 -0.069 0.000 1.201 108 Y CB 0.553 39.000 38.460 -0.023 0.000 1.232 108 Y HN 0.080 nan 8.280 nan 0.000 0.537 109 D N 1.020 121.488 120.400 0.112 0.000 2.689 109 D HA -0.189 4.447 4.640 -0.008 0.000 0.237 109 D C 1.327 177.818 176.300 0.319 0.000 1.148 109 D CA 1.496 55.590 54.000 0.157 0.000 0.656 109 D CB -1.126 39.729 40.800 0.092 0.000 1.050 109 D HN 0.728 nan 8.370 nan 0.000 0.426 110 G N -0.395 108.568 108.800 0.272 0.000 2.168 110 G HA2 -0.353 3.602 3.960 -0.008 0.000 0.263 110 G HA3 -0.353 3.602 3.960 -0.008 0.000 0.263 110 G C 0.145 175.180 174.900 0.226 0.000 0.977 110 G CA 0.532 45.777 45.100 0.242 0.000 0.659 110 G HN 0.706 nan 8.290 nan 0.000 0.533 111 H N -0.482 118.673 119.070 0.141 0.000 2.548 111 H HA 0.570 5.122 4.556 -0.008 0.000 0.331 111 H C 0.969 176.325 175.328 0.047 0.000 1.093 111 H CA -0.544 55.564 56.048 0.099 0.000 1.367 111 H CB 0.849 30.644 29.762 0.056 0.000 1.455 111 H HN 0.221 nan 8.280 nan 0.000 0.519 112 L N 5.844 127.165 121.223 0.164 0.000 2.433 112 L HA 0.171 4.506 4.340 -0.008 0.000 0.275 112 L C -1.732 175.106 176.870 -0.052 0.000 1.128 112 L CA -1.735 53.155 54.840 0.084 0.000 0.875 112 L CB 0.472 42.650 42.059 0.198 0.000 1.171 112 L HN 0.500 nan 8.230 nan 0.000 0.463 113 P HA 0.150 nan 4.420 nan 0.000 0.241 113 P C -0.645 176.553 177.300 -0.170 0.000 1.760 113 P CA 0.236 63.091 63.100 -0.408 0.000 1.081 113 P CB -0.025 31.284 31.700 -0.652 0.000 1.975 114 I N 0.973 121.544 120.570 0.000 0.000 2.647 114 I HA 0.360 4.525 4.170 -0.008 0.000 0.295 114 I C 0.189 176.427 176.117 0.203 0.000 1.078 114 I CA -0.977 60.390 61.300 0.111 0.000 1.048 114 I CB 2.900 41.002 38.000 0.171 0.000 1.239 114 I HN 0.138 nan 8.210 nan 0.000 0.421 115 E N 6.048 126.348 120.200 0.167 0.000 2.176 115 E HA 0.599 4.944 4.350 -0.008 0.000 0.267 115 E C -1.481 175.243 176.600 0.207 0.000 0.893 115 E CA -0.514 55.999 56.400 0.188 0.000 0.761 115 E CB 1.682 31.453 29.700 0.118 0.000 1.133 115 E HN 0.451 nan 8.360 nan 0.000 0.409 116 I N 4.434 125.158 120.570 0.257 0.000 2.378 116 I HA 0.329 4.494 4.170 -0.008 0.000 0.291 116 I C -0.324 175.903 176.117 0.183 0.000 0.992 116 I CA -0.724 60.698 61.300 0.203 0.000 1.154 116 I CB 1.605 39.692 38.000 0.145 0.000 1.315 116 I HN 0.294 nan 8.210 nan 0.000 0.448 117 K N 5.466 125.965 120.400 0.166 0.000 2.244 117 K HA 0.852 5.168 4.320 -0.008 0.000 0.260 117 K C -0.917 175.772 176.600 0.149 0.000 0.951 117 K CA -0.587 55.785 56.287 0.141 0.000 0.826 117 K CB 2.445 35.007 32.500 0.104 0.000 1.108 117 K HN 0.684 nan 8.250 nan 0.000 0.433 118 A N 1.638 124.535 122.820 0.129 0.000 2.498 118 A HA 0.542 4.858 4.320 -0.008 0.000 0.298 118 A C -0.441 177.122 177.584 -0.035 0.000 1.075 118 A CA -0.882 51.188 52.037 0.054 0.000 0.714 118 A CB 1.071 20.151 19.000 0.135 0.000 1.299 118 A HN 0.532 nan 8.150 nan 0.000 0.407 119 V N -0.671 119.075 119.914 -0.281 0.000 2.843 119 V HA 0.419 4.535 4.120 -0.008 0.000 0.305 119 V C -2.550 173.370 176.094 -0.290 0.000 1.065 119 V CA -1.410 60.695 62.300 -0.325 0.000 1.116 119 V CB -0.195 31.385 31.823 -0.405 0.000 0.968 119 V HN 0.659 nan 8.190 nan 0.000 0.487 120 P HA 0.120 nan 4.420 nan 0.000 0.266 120 P C -0.150 176.861 177.300 -0.481 0.000 1.195 120 P CA 0.174 62.779 63.100 -0.824 0.000 0.768 120 P CB 0.240 31.231 31.700 -1.182 0.000 0.838 121 E N 1.574 121.470 120.200 -0.507 0.000 2.392 121 E HA 0.225 4.571 4.350 -0.008 0.000 0.264 121 E C 1.287 177.871 176.600 -0.027 0.000 1.024 121 E CA 0.769 57.144 56.400 -0.043 0.000 0.903 121 E CB 0.074 29.802 29.700 0.046 0.000 0.963 121 E HN 0.786 nan 8.360 nan 0.000 0.432 122 G N 2.728 111.580 108.800 0.087 0.000 2.268 122 G HA2 -0.285 3.671 3.960 -0.008 0.000 0.240 122 G HA3 -0.285 3.671 3.960 -0.008 0.000 0.240 122 G C 0.065 175.061 174.900 0.160 0.000 1.010 122 G CA -0.360 44.761 45.100 0.036 0.000 0.618 122 G HN 0.438 nan 8.290 nan 0.000 0.516 123 F N 1.324 121.269 119.950 -0.008 0.000 2.607 123 F HA 0.416 4.938 4.527 -0.008 0.000 0.374 123 F C 1.077 176.878 175.800 0.002 0.000 1.104 123 F CA -0.207 57.794 58.000 0.002 0.000 1.296 123 F CB 1.150 40.142 39.000 -0.014 0.000 1.085 123 F HN 0.011 nan 8.300 nan 0.000 0.584 124 V N 6.495 126.417 119.914 0.014 0.000 2.348 124 V HA 0.293 4.409 4.120 -0.008 0.000 0.270 124 V C 0.087 176.147 176.094 -0.056 0.000 1.037 124 V CA -0.521 61.783 62.300 0.006 0.000 0.872 124 V CB 0.646 32.462 31.823 -0.011 0.000 1.002 124 V HN 0.328 nan 8.190 nan 0.000 0.464 125 I N 6.639 127.159 120.570 -0.083 0.000 2.465 125 I HA 0.472 4.637 4.170 -0.008 0.000 0.291 125 I C -2.526 173.554 176.117 -0.062 0.000 1.014 125 I CA -2.690 58.456 61.300 -0.256 0.000 1.093 125 I CB 1.996 39.800 38.000 -0.326 0.000 1.267 125 I HN 0.332 nan 8.210 nan 0.000 0.431 126 P HA 0.097 nan 4.420 nan 0.000 0.267 126 P C -0.039 177.286 177.300 0.042 0.000 1.200 126 P CA -0.278 62.856 63.100 0.056 0.000 0.772 126 P CB 0.428 32.190 31.700 0.103 0.000 0.855 127 R N 1.784 122.321 120.500 0.061 0.000 2.758 127 R HA 0.199 4.534 4.340 -0.008 0.000 0.263 127 R C 1.408 177.733 176.300 0.043 0.000 1.010 127 R CA 1.150 57.284 56.100 0.057 0.000 1.114 127 R CB -0.983 29.356 30.300 0.065 0.000 0.985 127 R HN 0.921 nan 8.270 nan 0.000 0.439 128 G N 1.453 110.274 108.800 0.035 0.000 2.137 128 G HA2 -0.296 3.659 3.960 -0.008 0.000 0.237 128 G HA3 -0.296 3.659 3.960 -0.008 0.000 0.237 128 G C -0.247 174.670 174.900 0.028 0.000 1.002 128 G CA 0.309 45.428 45.100 0.032 0.000 0.702 128 G HN 0.646 nan 8.290 nan 0.000 0.515 129 N N -1.377 117.336 118.700 0.023 0.000 2.319 129 N HA 0.551 5.286 4.740 -0.008 0.000 0.305 129 N C -0.021 175.496 175.510 0.012 0.000 1.103 129 N CA -0.547 52.504 53.050 0.002 0.000 0.815 129 N CB 2.639 41.110 38.487 -0.027 0.000 1.288 129 N HN 0.234 nan 8.380 nan 0.000 0.493 130 V N 3.100 123.007 119.914 -0.011 0.000 2.599 130 V HA 0.052 4.167 4.120 -0.008 0.000 0.300 130 V C 0.443 176.509 176.094 -0.048 0.000 1.034 130 V CA 0.702 63.008 62.300 0.011 0.000 1.115 130 V CB -0.195 31.595 31.823 -0.055 0.000 0.934 130 V HN 0.635 nan 8.190 nan 0.000 0.485 131 L N 6.518 127.715 121.223 -0.043 0.000 2.445 131 L HA 0.413 4.748 4.340 -0.008 0.000 0.207 131 L C 0.178 176.916 176.870 -0.219 0.000 1.053 131 L CA 0.271 54.988 54.840 -0.205 0.000 0.841 131 L CB 0.105 42.145 42.059 -0.032 0.000 1.074 131 L HN 0.742 nan 8.230 nan 0.000 0.479 132 F N -1.329 118.581 119.950 -0.067 0.000 2.645 132 F HA 0.681 5.203 4.527 -0.008 0.000 0.310 132 F C -0.568 175.249 175.800 0.027 0.000 1.102 132 F CA -0.994 56.983 58.000 -0.038 0.000 0.952 132 F CB 1.197 40.202 39.000 0.008 0.000 1.326 132 F HN -0.187 nan 8.300 nan 0.000 0.456 133 T N -0.366 114.305 114.554 0.194 0.000 2.907 133 T HA 0.853 5.199 4.350 -0.008 0.000 0.292 133 T C -1.484 173.255 174.700 0.066 0.000 1.043 133 T CA -0.833 61.244 62.100 -0.038 0.000 1.003 133 T CB 1.713 70.447 68.868 -0.223 0.000 1.084 133 T HN 0.833 nan 8.240 nan 0.000 0.483 134 V N 2.277 122.144 119.914 -0.078 0.000 2.686 134 V HA 0.744 4.859 4.120 -0.008 0.000 0.306 134 V C -0.658 175.429 176.094 -0.011 0.000 1.065 134 V CA -0.840 61.508 62.300 0.081 0.000 0.894 134 V CB 1.539 33.547 31.823 0.308 0.000 1.004 134 V HN 1.185 nan 8.190 nan 0.000 0.424 135 E N 2.989 123.237 120.200 0.081 0.000 2.392 135 E HA 0.425 4.771 4.350 -0.008 0.000 0.279 135 E C -1.510 175.142 176.600 0.086 0.000 0.964 135 E CA -1.012 55.464 56.400 0.126 0.000 0.777 135 E CB 2.092 31.947 29.700 0.259 0.000 1.249 135 E HN 0.620 nan 8.360 nan 0.000 0.449 136 N N 0.959 119.686 118.700 0.044 0.000 2.525 136 N HA 0.028 4.763 4.740 -0.008 0.000 0.271 136 N C 0.470 175.983 175.510 0.005 0.000 1.194 136 N CA 0.118 53.148 53.050 -0.032 0.000 0.964 136 N CB 1.394 39.812 38.487 -0.116 0.000 1.126 136 N HN 0.687 nan 8.380 nan 0.000 0.452 137 T N -3.646 110.889 114.554 -0.031 0.000 3.054 137 T HA 0.076 4.421 4.350 -0.008 0.000 0.255 137 T C -0.136 174.574 174.700 0.017 0.000 1.035 137 T CA -0.148 61.950 62.100 -0.003 0.000 0.941 137 T CB 0.057 68.907 68.868 -0.028 0.000 1.026 137 T HN 0.546 nan 8.240 nan 0.000 0.533 138 D N 1.596 121.998 120.400 0.003 0.000 2.629 138 D HA 0.317 4.952 4.640 -0.008 0.000 0.250 138 D C -1.956 174.369 176.300 0.042 0.000 1.126 138 D CA -2.323 51.729 54.000 0.087 0.000 0.852 138 D CB 2.866 43.797 40.800 0.219 0.000 1.335 138 D HN -0.170 nan 8.370 nan 0.000 0.518 139 P HA -0.154 nan 4.420 nan 0.000 0.217 139 P C 0.858 178.197 177.300 0.065 0.000 1.148 139 P CA 0.937 64.063 63.100 0.043 0.000 0.828 139 P CB 0.597 32.315 31.700 0.029 0.000 0.783 140 E N -0.861 119.337 120.200 -0.003 0.000 2.268 140 E HA -0.081 4.264 4.350 -0.008 0.000 0.195 140 E C 0.990 177.563 176.600 -0.045 0.000 0.995 140 E CA 0.769 57.118 56.400 -0.085 0.000 0.836 140 E CB -0.445 28.904 29.700 -0.585 0.000 0.763 140 E HN 0.315 nan 8.360 nan 0.000 0.491 141 C N 1.611 120.787 119.300 -0.207 0.000 2.470 141 C HA 0.160 4.615 4.460 -0.008 0.000 0.311 141 C C 1.779 176.306 174.990 -0.771 0.000 1.387 141 C CA -1.080 57.493 59.018 -0.743 0.000 1.783 141 C CB -2.232 25.135 27.740 -0.622 0.000 2.416 141 C HN 0.469 nan 8.230 nan 0.000 0.558 142 Y N 0.064 120.131 120.300 -0.387 0.000 2.256 142 Y HA -0.197 4.348 4.550 -0.008 0.000 0.288 142 Y C 2.146 177.874 175.900 -0.287 0.000 1.155 142 Y CA 1.551 59.487 58.100 -0.274 0.000 1.203 142 Y CB -0.791 37.563 38.460 -0.175 0.000 0.980 142 Y HN 0.633 nan 8.280 nan 0.000 0.530 143 W N -0.020 120.700 121.300 -0.967 0.000 2.770 143 W HA 0.099 4.754 4.660 -0.009 0.000 0.256 143 W C 1.202 177.636 176.519 -0.143 0.000 1.291 143 W CA 0.105 57.125 57.345 -0.542 0.000 1.396 143 W CB -0.847 28.257 29.460 -0.593 0.000 1.114 143 W HN 0.253 nan 8.180 nan 0.000 0.637 144 L N 2.495 123.223 121.223 -0.825 0.000 2.179 144 L HA -0.031 4.304 4.340 -0.008 0.000 0.208 144 L C 2.381 179.201 176.870 -0.084 0.000 1.096 144 L CA 2.224 56.679 54.840 -0.641 0.000 0.779 144 L CB -0.971 40.419 42.059 -1.116 0.000 0.922 144 L HN -0.187 nan 8.230 nan 0.000 0.443 145 T N 0.253 114.772 114.554 -0.059 0.000 2.635 145 T HA -0.201 4.144 4.350 -0.008 0.000 0.267 145 T C 1.561 176.424 174.700 0.272 0.000 1.040 145 T CA 2.146 64.316 62.100 0.116 0.000 1.156 145 T CB -0.323 68.613 68.868 0.114 0.000 0.863 145 T HN 0.325 nan 8.240 nan 0.000 0.430 146 N N -0.221 118.671 118.700 0.320 0.000 2.422 146 N HA 0.059 4.795 4.740 -0.008 0.000 0.181 146 N C 1.171 176.869 175.510 0.313 0.000 1.080 146 N CA -0.014 53.251 53.050 0.359 0.000 0.893 146 N CB -0.172 38.566 38.487 0.419 0.000 0.973 146 N HN 0.467 nan 8.380 nan 0.000 0.456 147 W N 2.020 123.446 121.300 0.211 0.000 2.338 147 W HA -0.108 4.549 4.660 -0.005 0.000 0.304 147 W C 1.097 177.708 176.519 0.153 0.000 1.212 147 W CA 1.099 58.588 57.345 0.239 0.000 1.264 147 W CB -0.161 29.533 29.460 0.391 0.000 1.142 147 W HN 0.077 nan 8.180 nan 0.000 0.512 148 I N -0.938 119.875 120.570 0.405 0.000 3.735 148 I HA 0.048 4.213 4.170 -0.008 0.000 0.310 148 I C 1.868 177.960 176.117 -0.041 0.000 1.270 148 I CA 0.778 62.215 61.300 0.228 0.000 1.207 148 I CB -0.694 37.425 38.000 0.199 0.000 1.013 148 I HN -0.025 nan 8.210 nan 0.000 0.452 149 E N 2.193 122.272 120.200 -0.201 0.000 2.049 149 E HA -0.243 4.102 4.350 -0.008 0.000 0.198 149 E C 1.802 178.194 176.600 -0.348 0.000 1.007 149 E CA 2.674 58.663 56.400 -0.684 0.000 0.809 149 E CB -0.103 29.236 29.700 -0.600 0.000 0.749 149 E HN 0.578 nan 8.360 nan 0.000 0.450 150 T N 1.309 115.779 114.554 -0.141 0.000 2.684 150 T HA -0.178 4.167 4.350 -0.008 0.000 0.267 150 T C 1.967 176.659 174.700 -0.013 0.000 1.036 150 T CA 1.668 63.745 62.100 -0.039 0.000 1.148 150 T CB -0.312 68.544 68.868 -0.021 0.000 0.863 150 T HN 0.200 nan 8.240 nan 0.000 0.436 151 I N 0.623 121.176 120.570 -0.028 0.000 2.127 151 I HA -0.153 4.013 4.170 -0.008 0.000 0.241 151 I C 2.294 178.390 176.117 -0.036 0.000 1.075 151 I CA 1.372 62.645 61.300 -0.044 0.000 1.334 151 I CB -0.362 37.621 38.000 -0.028 0.000 1.040 151 I HN 0.186 nan 8.210 nan 0.000 0.405 152 L N -0.510 120.688 121.223 -0.042 0.000 2.156 152 L HA -0.131 4.204 4.340 -0.008 0.000 0.208 152 L C 2.466 179.432 176.870 0.160 0.000 1.095 152 L CA 0.563 55.403 54.840 0.000 0.000 0.770 152 L CB -0.450 41.654 42.059 0.076 0.000 0.914 152 L HN 0.067 nan 8.230 nan 0.000 0.439 153 V N -0.269 119.760 119.914 0.191 0.000 2.626 153 V HA -0.258 3.857 4.120 -0.008 0.000 0.252 153 V C 2.305 178.690 176.094 0.486 0.000 1.067 153 V CA 1.434 63.992 62.300 0.431 0.000 1.081 153 V CB -0.429 31.588 31.823 0.324 0.000 0.686 153 V HN 0.522 nan 8.190 nan 0.000 0.468 154 Q N 0.112 120.083 119.800 0.285 0.000 2.508 154 Q HA -0.147 4.188 4.340 -0.008 0.000 0.214 154 Q C 2.252 178.227 176.000 -0.041 0.000 0.979 154 Q CA 1.381 57.293 55.803 0.182 0.000 0.911 154 Q CB -0.255 28.524 28.738 0.068 0.000 0.969 154 Q HN 0.826 nan 8.270 nan 0.000 0.504 155 S N 0.506 116.212 115.700 0.010 0.000 2.507 155 S HA -0.138 4.328 4.470 -0.008 0.000 0.235 155 S C 1.587 176.165 174.600 -0.036 0.000 0.988 155 S CA 0.375 58.501 58.200 -0.123 0.000 0.944 155 S CB -0.759 62.304 63.200 -0.228 0.000 0.762 155 S HN 0.691 nan 8.310 nan 0.000 0.526 156 W N 0.906 122.323 121.300 0.194 0.000 2.325 156 W HA -0.274 4.384 4.660 -0.003 0.000 0.299 156 W C 1.787 178.426 176.519 0.200 0.000 1.215 156 W CA 0.961 58.489 57.345 0.306 0.000 1.244 156 W CB -1.146 28.520 29.460 0.343 0.000 1.140 156 W HN 0.391 nan 8.180 nan 0.000 0.523 157 Y N 4.041 123.687 120.300 -1.090 0.000 2.109 157 Y HA -0.099 4.447 4.550 -0.008 0.000 0.285 157 Y C -0.069 175.552 175.900 -0.464 0.000 1.131 157 Y CA 2.224 59.567 58.100 -1.262 0.000 1.121 157 Y CB -1.921 35.695 38.460 -1.406 0.000 0.987 157 Y HN -0.234 nan 8.280 nan 0.000 0.495 158 P HA -0.176 nan 4.420 nan 0.000 0.218 158 P C 1.779 178.989 177.300 -0.149 0.000 1.149 158 P CA 1.935 64.837 63.100 -0.329 0.000 0.817 158 P CB -0.162 31.366 31.700 -0.287 0.000 0.785 159 I N -0.199 120.303 120.570 -0.114 0.000 2.179 159 I HA -0.219 3.946 4.170 -0.008 0.000 0.242 159 I C 2.309 178.446 176.117 0.033 0.000 1.088 159 I CA 1.902 63.213 61.300 0.019 0.000 1.357 159 I CB -1.186 36.905 38.000 0.152 0.000 1.051 159 I HN -0.003 nan 8.210 nan 0.000 0.409 160 T N 0.251 114.821 114.554 0.027 0.000 2.812 160 T HA -0.088 4.257 4.350 -0.008 0.000 0.264 160 T C 2.020 176.684 174.700 -0.059 0.000 1.042 160 T CA 1.060 63.183 62.100 0.040 0.000 1.140 160 T CB -0.249 68.760 68.868 0.235 0.000 0.870 160 T HN 0.082 nan 8.240 nan 0.000 0.445 161 V N 1.952 121.737 119.914 -0.214 0.000 2.255 161 V HA -0.197 3.919 4.120 -0.008 0.000 0.247 161 V C 2.943 178.992 176.094 -0.075 0.000 1.051 161 V CA 1.840 64.016 62.300 -0.208 0.000 1.018 161 V CB -1.279 30.286 31.823 -0.431 0.000 0.641 161 V HN 0.530 nan 8.190 nan 0.000 0.445 162 A N -0.352 122.422 122.820 -0.077 0.000 1.908 162 A HA -0.239 4.077 4.320 -0.008 0.000 0.218 162 A C 2.393 179.975 177.584 -0.004 0.000 1.181 162 A CA 2.620 54.621 52.037 -0.060 0.000 0.627 162 A CB -1.001 17.948 19.000 -0.086 0.000 0.818 162 A HN 0.527 nan 8.150 nan 0.000 0.445 163 T N 0.024 114.598 114.554 0.033 0.000 2.701 163 T HA -0.154 4.192 4.350 -0.008 0.000 0.263 163 T C 1.962 176.760 174.700 0.163 0.000 1.040 163 T CA 1.669 63.825 62.100 0.093 0.000 1.147 163 T CB -0.462 68.469 68.868 0.104 0.000 0.865 163 T HN 0.661 nan 8.240 nan 0.000 0.426 164 N N 0.748 119.540 118.700 0.154 0.000 2.166 164 N HA -0.095 4.641 4.740 -0.008 0.000 0.186 164 N C 2.009 177.634 175.510 0.192 0.000 1.019 164 N CA 1.518 54.717 53.050 0.248 0.000 0.856 164 N CB -0.400 38.181 38.487 0.157 0.000 0.993 164 N HN 0.216 nan 8.380 nan 0.000 0.426 165 S N -0.133 115.661 115.700 0.157 0.000 2.356 165 S HA -0.118 4.347 4.470 -0.008 0.000 0.223 165 S C 2.009 176.753 174.600 0.238 0.000 1.032 165 S CA 1.130 59.472 58.200 0.237 0.000 1.005 165 S CB -0.345 63.012 63.200 0.262 0.000 0.867 165 S HN 0.419 nan 8.310 nan 0.000 0.449 166 R N 0.378 120.942 120.500 0.105 0.000 2.092 166 R HA -0.031 4.304 4.340 -0.008 0.000 0.231 166 R C 2.140 178.473 176.300 0.056 0.000 1.119 166 R CA 1.465 57.578 56.100 0.023 0.000 0.970 166 R CB -0.167 30.119 30.300 -0.024 0.000 0.864 166 R HN 0.357 nan 8.270 nan 0.000 0.440 167 E N 0.678 120.937 120.200 0.098 0.000 2.110 167 E HA -0.213 4.132 4.350 -0.008 0.000 0.193 167 E C 1.978 178.611 176.600 0.053 0.000 0.988 167 E CA 1.245 57.681 56.400 0.060 0.000 0.804 167 E CB -0.081 29.652 29.700 0.055 0.000 0.745 167 E HN 0.526 nan 8.360 nan 0.000 0.458 168 Q N 0.431 120.291 119.800 0.100 0.000 2.124 168 Q HA -0.123 4.213 4.340 -0.008 0.000 0.202 168 Q C 2.202 178.297 176.000 0.158 0.000 0.977 168 Q CA 1.149 57.005 55.803 0.088 0.000 0.850 168 Q CB -0.091 28.695 28.738 0.080 0.000 0.901 168 Q HN 0.105 nan 8.270 nan 0.000 0.429 169 K N 1.161 121.708 120.400 0.244 0.000 2.097 169 K HA -0.175 4.140 4.320 -0.008 0.000 0.206 169 K C 1.795 178.437 176.600 0.070 0.000 1.049 169 K CA 1.192 57.596 56.287 0.195 0.000 0.933 169 K CB 0.146 32.568 32.500 -0.130 0.000 0.717 169 K HN 0.028 nan 8.250 nan 0.000 0.442 170 K N 0.379 120.801 120.400 0.037 0.000 2.057 170 K HA -0.131 4.184 4.320 -0.008 0.000 0.207 170 K C 2.098 178.733 176.600 0.057 0.000 1.049 170 K CA 1.641 57.941 56.287 0.022 0.000 0.931 170 K CB -0.158 32.345 32.500 0.005 0.000 0.714 170 K HN 0.171 nan 8.250 nan 0.000 0.440 171 I N 1.099 121.713 120.570 0.073 0.000 2.179 171 I HA -0.301 3.865 4.170 -0.008 0.000 0.242 171 I C 2.225 178.453 176.117 0.185 0.000 1.088 171 I CA 1.219 62.594 61.300 0.124 0.000 1.357 171 I CB -0.258 37.764 38.000 0.037 0.000 1.051 171 I HN 0.100 nan 8.210 nan 0.000 0.409 172 L N 0.441 121.739 121.223 0.126 0.000 2.012 172 L HA -0.234 4.101 4.340 -0.008 0.000 0.210 172 L C 2.847 179.811 176.870 0.156 0.000 1.073 172 L CA 1.482 56.416 54.840 0.155 0.000 0.748 172 L CB -0.740 41.433 42.059 0.191 0.000 0.891 172 L HN 0.260 nan 8.230 nan 0.000 0.431 173 A N 0.019 122.902 122.820 0.105 0.000 1.883 173 A HA -0.285 4.031 4.320 -0.008 0.000 0.217 173 A C 2.395 180.002 177.584 0.040 0.000 1.186 173 A CA 2.154 54.224 52.037 0.055 0.000 0.624 173 A CB -0.539 18.467 19.000 0.011 0.000 0.822 173 A HN 0.361 nan 8.150 nan 0.000 0.444 174 K N -1.741 118.684 120.400 0.042 0.000 2.032 174 K HA -0.211 4.105 4.320 -0.008 0.000 0.209 174 K C 1.825 178.356 176.600 -0.115 0.000 1.048 174 K CA 2.054 58.311 56.287 -0.049 0.000 0.927 174 K CB -0.353 32.105 32.500 -0.069 0.000 0.712 174 K HN 0.547 nan 8.250 nan 0.000 0.441 175 Y N 0.152 120.443 120.300 -0.017 0.000 2.337 175 Y HA -0.096 4.449 4.550 -0.008 0.000 0.293 175 Y C 1.983 177.851 175.900 -0.054 0.000 1.123 175 Y CA 0.530 58.610 58.100 -0.033 0.000 1.201 175 Y CB -0.065 38.392 38.460 -0.005 0.000 1.011 175 Y HN 0.090 nan 8.280 nan 0.000 0.545 176 L N -0.427 120.869 121.223 0.121 0.000 2.056 176 L HA -0.168 4.167 4.340 -0.008 0.000 0.207 176 L C 2.152 179.019 176.870 -0.004 0.000 1.078 176 L CA 1.447 56.321 54.840 0.057 0.000 0.749 176 L CB -0.908 41.197 42.059 0.078 0.000 0.901 176 L HN 0.240 nan 8.230 nan 0.000 0.433 177 L N -0.386 120.828 121.223 -0.014 0.000 2.046 177 L HA -0.200 4.135 4.340 -0.008 0.000 0.208 177 L C 2.480 179.312 176.870 -0.065 0.000 1.077 177 L CA 1.965 56.784 54.840 -0.035 0.000 0.747 177 L CB -0.672 41.366 42.059 -0.036 0.000 0.896 177 L HN 0.495 nan 8.230 nan 0.000 0.432 178 E N -1.353 118.782 120.200 -0.108 0.000 2.106 178 E HA -0.196 4.149 4.350 -0.008 0.000 0.192 178 E C 1.787 178.263 176.600 -0.206 0.000 0.984 178 E CA 1.532 57.849 56.400 -0.138 0.000 0.806 178 E CB -0.001 29.577 29.700 -0.203 0.000 0.750 178 E HN 0.686 nan 8.360 nan 0.000 0.458 179 T N -2.424 111.933 114.554 -0.328 0.000 3.065 179 T HA 0.049 4.394 4.350 -0.008 0.000 0.252 179 T C 1.688 176.243 174.700 -0.242 0.000 1.099 179 T CA 0.770 62.464 62.100 -0.675 0.000 1.063 179 T CB 0.350 68.764 68.868 -0.755 0.000 0.948 179 T HN 0.131 nan 8.240 nan 0.000 0.506 180 S N -0.619 115.024 115.700 -0.095 0.000 2.653 180 S HA 0.516 4.981 4.470 -0.008 0.000 0.259 180 S C 1.848 176.451 174.600 0.004 0.000 1.076 180 S CA 0.603 58.796 58.200 -0.013 0.000 1.051 180 S CB 0.009 63.207 63.200 -0.002 0.000 0.994 180 S HN 1.184 nan 8.310 nan 0.000 0.552 181 G N 1.926 110.721 108.800 -0.008 0.000 2.176 181 G HA2 -0.234 3.721 3.960 -0.008 0.000 0.253 181 G HA3 -0.234 3.721 3.960 -0.008 0.000 0.253 181 G C -0.179 174.720 174.900 -0.002 0.000 0.979 181 G CA 0.423 45.523 45.100 -0.000 0.000 0.641 181 G HN 1.166 nan 8.290 nan 0.000 0.530 182 N N -1.729 116.970 118.700 -0.002 0.000 3.243 182 N HA 0.643 5.379 4.740 -0.008 0.000 0.280 182 N C 0.051 175.565 175.510 0.005 0.000 1.545 182 N CA -0.939 52.112 53.050 0.001 0.000 0.854 182 N CB 0.321 38.811 38.487 0.004 0.000 1.612 182 N HN 0.058 nan 8.380 nan 0.000 0.577 183 L N -0.707 120.520 121.223 0.007 0.000 3.066 183 L HA 0.404 4.739 4.340 -0.008 0.000 0.265 183 L C -0.769 176.117 176.870 0.027 0.000 1.232 183 L CA -0.498 54.350 54.840 0.014 0.000 1.031 183 L CB -0.274 41.784 42.059 -0.001 0.000 1.379 183 L HN 0.458 nan 8.230 nan 0.000 0.563 184 D N 1.769 122.186 120.400 0.028 0.000 2.531 184 D HA 0.176 4.811 4.640 -0.008 0.000 0.239 184 D C 1.375 177.714 176.300 0.065 0.000 1.144 184 D CA 1.409 55.432 54.000 0.038 0.000 0.869 184 D CB 1.052 41.868 40.800 0.026 0.000 1.160 184 D HN 0.367 nan 8.370 nan 0.000 0.484 185 G N 1.960 110.819 108.800 0.098 0.000 2.155 185 G HA2 -0.349 3.606 3.960 -0.008 0.000 0.257 185 G HA3 -0.349 3.606 3.960 -0.008 0.000 0.257 185 G C 1.030 176.047 174.900 0.195 0.000 0.983 185 G CA 0.567 45.773 45.100 0.176 0.000 0.676 185 G HN 0.521 nan 8.290 nan 0.000 0.528 186 L N 1.367 122.665 121.223 0.125 0.000 2.043 186 L HA -0.041 4.294 4.340 -0.008 0.000 0.212 186 L C 2.695 179.663 176.870 0.163 0.000 1.075 186 L CA 3.012 57.928 54.840 0.127 0.000 0.752 186 L CB -0.284 41.801 42.059 0.044 0.000 0.891 186 L HN 0.529 nan 8.230 nan 0.000 0.432 187 E N -1.587 118.634 120.200 0.035 0.000 2.515 187 E HA -0.246 4.099 4.350 -0.008 0.000 0.201 187 E C 0.749 177.301 176.600 -0.080 0.000 1.071 187 E CA 1.129 57.461 56.400 -0.114 0.000 0.880 187 E CB -0.607 28.921 29.700 -0.288 0.000 0.828 187 E HN 0.679 nan 8.360 nan 0.000 0.540 188 Y N 0.036 120.479 120.300 0.239 0.000 2.612 188 Y HA 0.284 4.830 4.550 -0.008 0.000 0.250 188 Y C 1.557 177.553 175.900 0.160 0.000 1.175 188 Y CA -0.452 57.764 58.100 0.194 0.000 1.205 188 Y CB 0.827 39.357 38.460 0.117 0.000 1.201 188 Y HN -0.139 nan 8.280 nan 0.000 0.532 189 K N 0.196 120.786 120.400 0.316 0.000 2.365 189 K HA 0.130 4.445 4.320 -0.008 0.000 0.197 189 K C -0.245 176.397 176.600 0.070 0.000 1.042 189 K CA 0.421 56.840 56.287 0.219 0.000 0.987 189 K CB 0.346 33.018 32.500 0.288 0.000 0.779 189 K HN 0.140 nan 8.250 nan 0.000 0.484 190 L N 0.793 121.846 121.223 -0.283 0.000 2.415 190 L HA 0.280 4.615 4.340 -0.008 0.000 0.268 190 L C -1.319 175.328 176.870 -0.372 0.000 0.984 190 L CA -0.696 53.844 54.840 -0.500 0.000 0.853 190 L CB 1.209 42.638 42.059 -1.051 0.000 1.215 190 L HN 0.006 nan 8.230 nan 0.000 0.419 191 H N 2.318 121.165 119.070 -0.371 0.000 2.473 191 H HA 0.350 4.901 4.556 -0.008 0.000 0.327 191 H C -0.821 174.075 175.328 -0.721 0.000 1.105 191 H CA -0.250 55.517 56.048 -0.468 0.000 1.280 191 H CB 1.151 30.532 29.762 -0.635 0.000 1.450 191 H HN 0.623 nan 8.280 nan 0.000 0.492 192 D N 4.050 124.042 120.400 -0.681 0.000 2.336 192 D HA -0.005 4.631 4.640 -0.008 0.000 0.249 192 D C -0.606 175.553 176.300 -0.235 0.000 1.213 192 D CA 0.005 53.675 54.000 -0.551 0.000 0.870 192 D CB -0.001 40.527 40.800 -0.452 0.000 1.076 192 D HN 0.414 nan 8.370 nan 0.000 0.483 193 F N 1.664 121.613 119.950 -0.001 0.000 2.708 193 F HA 0.336 4.858 4.527 -0.008 0.000 0.300 193 F C 1.992 177.824 175.800 0.053 0.000 1.118 193 F CA -0.709 57.329 58.000 0.064 0.000 1.307 193 F CB 0.705 39.739 39.000 0.056 0.000 0.986 193 F HN 0.505 nan 8.300 nan 0.000 0.522 194 G N -1.705 107.194 108.800 0.165 0.000 2.985 194 G HA2 -0.161 3.795 3.960 -0.008 0.000 0.209 194 G HA3 -0.161 3.795 3.960 -0.008 0.000 0.209 194 G C 1.482 176.491 174.900 0.182 0.000 1.165 194 G CA 0.010 45.187 45.100 0.128 0.000 0.776 194 G HN 0.403 nan 8.290 nan 0.000 0.541 195 Y N 1.816 122.159 120.300 0.072 0.000 2.081 195 Y HA -0.309 4.236 4.550 -0.009 0.000 0.280 195 Y C 3.042 178.969 175.900 0.045 0.000 1.163 195 Y CA 1.777 59.909 58.100 0.054 0.000 1.135 195 Y CB 0.220 38.716 38.460 0.059 0.000 0.970 195 Y HN 0.306 nan 8.280 nan 0.000 0.498 196 R N -0.319 120.308 120.500 0.212 0.000 2.236 196 R HA 0.031 4.366 4.340 -0.008 0.000 0.208 196 R C 1.813 178.166 176.300 0.089 0.000 1.036 196 R CA 1.143 57.294 56.100 0.085 0.000 1.001 196 R CB -0.570 29.746 30.300 0.026 0.000 0.896 196 R HN 0.293 nan 8.270 nan 0.000 0.464 197 G N 1.692 110.559 108.800 0.113 0.000 3.042 197 G HA2 0.172 4.128 3.960 -0.008 0.000 0.212 197 G HA3 0.172 4.128 3.960 -0.008 0.000 0.212 197 G C 0.535 175.488 174.900 0.088 0.000 1.166 197 G CA 0.235 45.388 45.100 0.089 0.000 0.767 197 G HN 0.200 nan 8.290 nan 0.000 0.546 198 V N -1.746 118.231 119.914 0.104 0.000 3.234 198 V HA 0.620 4.735 4.120 -0.008 0.000 0.317 198 V C 1.342 177.470 176.094 0.058 0.000 1.081 198 V CA 0.232 62.580 62.300 0.080 0.000 1.037 198 V CB 1.332 33.206 31.823 0.084 0.000 1.148 198 V HN 0.108 nan 8.190 nan 0.000 0.453 199 S N -0.146 115.567 115.700 0.021 0.000 2.496 199 S HA 0.218 4.683 4.470 -0.008 0.000 0.224 199 S C 0.772 175.382 174.600 0.017 0.000 0.996 199 S CA 0.392 58.598 58.200 0.011 0.000 0.927 199 S CB -0.610 62.582 63.200 -0.013 0.000 0.774 199 S HN 1.762 nan 8.310 nan 0.000 0.524 200 S N -0.976 114.740 115.700 0.026 0.000 2.611 200 S HA 0.402 4.867 4.470 -0.008 0.000 0.268 200 S C 0.006 174.656 174.600 0.083 0.000 1.156 200 S CA -0.856 57.370 58.200 0.044 0.000 0.817 200 S CB 0.923 64.136 63.200 0.021 0.000 1.122 200 S HN -0.092 nan 8.310 nan 0.000 0.466 201 Q N 0.981 120.843 119.800 0.104 0.000 2.084 201 Q HA -0.111 4.225 4.340 -0.008 0.000 0.202 201 Q C 1.803 177.848 176.000 0.076 0.000 0.978 201 Q CA 2.068 57.958 55.803 0.145 0.000 0.844 201 Q CB -0.484 28.335 28.738 0.136 0.000 0.898 201 Q HN 0.915 nan 8.270 nan 0.000 0.426 202 E N -0.130 120.103 120.200 0.055 0.000 2.077 202 E HA -0.138 4.207 4.350 -0.008 0.000 0.193 202 E C 1.754 178.341 176.600 -0.022 0.000 0.989 202 E CA 1.418 57.841 56.400 0.038 0.000 0.800 202 E CB 0.218 29.966 29.700 0.080 0.000 0.746 202 E HN 0.244 nan 8.360 nan 0.000 0.452 203 T N 0.646 115.175 114.554 -0.042 0.000 2.720 203 T HA -0.182 4.163 4.350 -0.008 0.000 0.268 203 T C 1.801 176.491 174.700 -0.016 0.000 1.037 203 T CA 1.324 63.367 62.100 -0.095 0.000 1.144 203 T CB -0.322 68.437 68.868 -0.182 0.000 0.864 203 T HN 0.344 nan 8.240 nan 0.000 0.444 204 A N 1.344 124.148 122.820 -0.026 0.000 1.883 204 A HA 0.028 4.343 4.320 -0.008 0.000 0.217 204 A C 2.617 180.089 177.584 -0.187 0.000 1.186 204 A CA 2.084 54.053 52.037 -0.113 0.000 0.624 204 A CB -1.440 17.443 19.000 -0.196 0.000 0.822 204 A HN 0.522 nan 8.150 nan 0.000 0.444 205 G N -0.029 108.672 108.800 -0.165 0.000 2.433 205 G HA2 -0.200 3.756 3.960 -0.008 0.000 0.216 205 G HA3 -0.200 3.756 3.960 -0.008 0.000 0.216 205 G C 1.545 176.340 174.900 -0.175 0.000 1.186 205 G CA 1.180 46.179 45.100 -0.169 0.000 0.779 205 G HN 0.490 nan 8.290 nan 0.000 0.543 206 I N 1.284 121.740 120.570 -0.190 0.000 2.127 206 I HA -0.108 4.057 4.170 -0.008 0.000 0.241 206 I C 3.121 179.198 176.117 -0.067 0.000 1.075 206 I CA 1.185 62.358 61.300 -0.213 0.000 1.334 206 I CB -0.628 37.259 38.000 -0.188 0.000 1.040 206 I HN 0.247 nan 8.210 nan 0.000 0.405 207 G N 0.407 109.240 108.800 0.054 0.000 2.421 207 G HA2 -0.236 3.719 3.960 -0.008 0.000 0.216 207 G HA3 -0.236 3.719 3.960 -0.008 0.000 0.216 207 G C 1.866 176.725 174.900 -0.067 0.000 1.171 207 G CA 0.871 45.948 45.100 -0.038 0.000 0.775 207 G HN 0.501 nan 8.290 nan 0.000 0.543 208 A N 1.252 124.025 122.820 -0.077 0.000 1.902 208 A HA -0.044 4.271 4.320 -0.008 0.000 0.217 208 A C 2.762 180.307 177.584 -0.064 0.000 1.181 208 A CA 2.662 54.648 52.037 -0.084 0.000 0.623 208 A CB -0.812 18.092 19.000 -0.161 0.000 0.818 208 A HN 0.794 nan 8.150 nan 0.000 0.443 209 S N 0.202 115.847 115.700 -0.091 0.000 2.382 209 S HA 0.015 4.481 4.470 -0.008 0.000 0.228 209 S C 2.078 176.640 174.600 -0.063 0.000 1.027 209 S CA 1.416 59.554 58.200 -0.103 0.000 0.991 209 S CB -0.647 62.519 63.200 -0.056 0.000 0.823 209 S HN 0.914 nan 8.310 nan 0.000 0.469 210 A N 1.406 124.213 122.820 -0.023 0.000 1.930 210 A HA -0.065 4.250 4.320 -0.008 0.000 0.217 210 A C 2.092 179.591 177.584 -0.141 0.000 1.175 210 A CA 1.760 53.707 52.037 -0.150 0.000 0.627 210 A CB -1.313 17.662 19.000 -0.040 0.000 0.815 210 A HN 0.781 nan 8.150 nan 0.000 0.443 211 H N -0.062 118.930 119.070 -0.130 0.000 2.387 211 H HA 0.055 4.606 4.556 -0.008 0.000 0.299 211 H C 1.509 176.823 175.328 -0.025 0.000 1.090 211 H CA 1.676 57.686 56.048 -0.064 0.000 1.332 211 H CB -0.278 29.435 29.762 -0.082 0.000 1.386 211 H HN 0.358 nan 8.280 nan 0.000 0.516 212 L N -0.222 120.938 121.223 -0.105 0.000 2.551 212 L HA -0.071 4.265 4.340 -0.008 0.000 0.228 212 L C 2.075 178.923 176.870 -0.037 0.000 1.153 212 L CA 0.102 54.894 54.840 -0.081 0.000 0.851 212 L CB -0.035 42.007 42.059 -0.028 0.000 0.959 212 L HN 0.210 nan 8.230 nan 0.000 0.451 213 V N 0.130 119.913 119.914 -0.220 0.000 2.490 213 V HA -0.240 3.875 4.120 -0.008 0.000 0.250 213 V C 1.862 177.688 176.094 -0.447 0.000 1.061 213 V CA 1.730 63.708 62.300 -0.536 0.000 1.064 213 V CB -0.429 30.996 31.823 -0.663 0.000 0.670 213 V HN 0.604 nan 8.190 nan 0.000 0.461 214 N N -1.978 116.473 118.700 -0.415 0.000 2.463 214 N HA 0.191 4.927 4.740 -0.008 0.000 0.183 214 N C 0.162 175.160 175.510 -0.853 0.000 1.064 214 N CA 0.387 53.089 53.050 -0.580 0.000 0.879 214 N CB 0.714 38.889 38.487 -0.521 0.000 1.148 214 N HN 0.406 nan 8.380 nan 0.000 0.451 215 F N 0.174 119.838 119.950 -0.477 0.000 2.654 215 F HA 0.442 4.964 4.527 -0.008 0.000 0.334 215 F C 1.254 176.803 175.800 -0.419 0.000 1.078 215 F CA -0.794 56.925 58.000 -0.469 0.000 0.986 215 F CB 1.941 40.608 39.000 -0.554 0.000 1.362 215 F HN -0.429 nan 8.300 nan 0.000 0.498 216 K N -0.108 120.150 120.400 -0.236 0.000 2.402 216 K HA 0.259 4.574 4.320 -0.008 0.000 0.203 216 K C 0.280 176.839 176.600 -0.068 0.000 1.077 216 K CA -0.070 56.075 56.287 -0.236 0.000 1.051 216 K CB 1.197 33.446 32.500 -0.418 0.000 0.907 216 K HN 0.699 nan 8.250 nan 0.000 0.554 217 G N 0.826 109.583 108.800 -0.070 0.000 2.319 217 G HA2 0.328 4.283 3.960 -0.008 0.000 0.308 217 G HA3 0.328 4.283 3.960 -0.008 0.000 0.308 217 G C -0.913 173.609 174.900 -0.630 0.000 1.117 217 G CA 0.022 45.051 45.100 -0.118 0.000 0.903 217 G HN -0.081 nan 8.290 nan 0.000 0.436 218 T N 0.886 115.092 114.554 -0.580 0.000 2.956 218 T HA 0.364 4.709 4.350 -0.008 0.000 0.312 218 T C -0.532 174.129 174.700 -0.065 0.000 1.151 218 T CA -0.534 61.312 62.100 -0.425 0.000 1.024 218 T CB 1.881 70.648 68.868 -0.168 0.000 1.140 218 T HN 0.260 nan 8.240 nan 0.000 0.473 219 D N 1.496 121.958 120.400 0.103 0.000 2.379 219 D HA 0.196 4.832 4.640 -0.008 0.000 0.208 219 D C 0.375 176.797 176.300 0.203 0.000 1.065 219 D CA 0.401 54.565 54.000 0.273 0.000 0.848 219 D CB 0.561 41.638 40.800 0.460 0.000 0.949 219 D HN 0.492 nan 8.370 nan 0.000 0.509 220 T N 1.019 115.602 114.554 0.048 0.000 3.176 220 T HA 0.105 4.450 4.350 -0.008 0.000 0.301 220 T C 1.725 176.319 174.700 -0.178 0.000 1.115 220 T CA -0.204 61.801 62.100 -0.158 0.000 1.027 220 T CB 1.037 69.707 68.868 -0.331 0.000 1.063 220 T HN -0.172 nan 8.240 nan 0.000 0.669 221 V N 2.100 121.998 119.914 -0.027 0.000 2.469 221 V HA -0.241 3.874 4.120 -0.008 0.000 0.251 221 V C 2.802 178.848 176.094 -0.079 0.000 1.064 221 V CA 2.001 64.298 62.300 -0.005 0.000 1.066 221 V CB -1.155 30.730 31.823 0.102 0.000 0.667 221 V HN 0.910 nan 8.190 nan 0.000 0.461 222 A N 0.936 123.651 122.820 -0.175 0.000 1.986 222 A HA -0.156 4.160 4.320 -0.008 0.000 0.220 222 A C 2.418 179.912 177.584 -0.150 0.000 1.171 222 A CA 2.004 53.947 52.037 -0.158 0.000 0.640 222 A CB -1.151 17.692 19.000 -0.262 0.000 0.811 222 A HN 0.557 nan 8.150 nan 0.000 0.451 223 G N -0.138 108.546 108.800 -0.192 0.000 2.422 223 G HA2 -0.146 3.809 3.960 -0.008 0.000 0.218 223 G HA3 -0.146 3.809 3.960 -0.008 0.000 0.218 223 G C 1.512 176.306 174.900 -0.177 0.000 1.146 223 G CA 0.995 45.989 45.100 -0.177 0.000 0.769 223 G HN 0.473 nan 8.290 nan 0.000 0.547 224 L N 0.670 121.798 121.223 -0.159 0.000 1.989 224 L HA -0.094 4.241 4.340 -0.008 0.000 0.211 224 L C 3.399 180.195 176.870 -0.124 0.000 1.071 224 L CA 1.272 56.014 54.840 -0.163 0.000 0.749 224 L CB -0.618 41.362 42.059 -0.132 0.000 0.890 224 L HN 0.289 nan 8.230 nan 0.000 0.431 225 A N -0.013 122.761 122.820 -0.076 0.000 1.933 225 A HA -0.188 4.127 4.320 -0.008 0.000 0.218 225 A C 2.328 179.907 177.584 -0.009 0.000 1.175 225 A CA 1.483 53.495 52.037 -0.043 0.000 0.628 225 A CB -0.694 18.295 19.000 -0.019 0.000 0.814 225 A HN 0.400 nan 8.150 nan 0.000 0.444 226 L N -0.442 120.797 121.223 0.028 0.000 2.017 226 L HA -0.173 4.162 4.340 -0.008 0.000 0.208 226 L C 2.392 179.384 176.870 0.204 0.000 1.073 226 L CA 1.754 56.700 54.840 0.178 0.000 0.745 226 L CB -0.267 41.832 42.059 0.068 0.000 0.894 226 L HN 0.429 nan 8.230 nan 0.000 0.432 227 I N -0.120 120.449 120.570 -0.002 0.000 2.163 227 I HA -0.361 3.805 4.170 -0.008 0.000 0.243 227 I C 2.635 178.756 176.117 0.007 0.000 1.085 227 I CA 1.594 62.842 61.300 -0.086 0.000 1.347 227 I CB -0.356 37.281 38.000 -0.605 0.000 1.044 227 I HN 0.283 nan 8.210 nan 0.000 0.408 228 K N 1.136 121.502 120.400 -0.056 0.000 2.032 228 K HA -0.272 4.043 4.320 -0.008 0.000 0.209 228 K C 2.238 178.793 176.600 -0.074 0.000 1.048 228 K CA 1.783 58.038 56.287 -0.053 0.000 0.927 228 K CB -0.038 32.421 32.500 -0.070 0.000 0.712 228 K HN 0.134 nan 8.250 nan 0.000 0.441 229 K N -0.969 119.349 120.400 -0.136 0.000 2.076 229 K HA -0.112 4.203 4.320 -0.008 0.000 0.204 229 K C 1.309 177.628 176.600 -0.469 0.000 1.051 229 K CA 1.266 57.330 56.287 -0.371 0.000 0.949 229 K CB 0.102 32.242 32.500 -0.600 0.000 0.726 229 K HN 0.161 nan 8.250 nan 0.000 0.443 230 Y N -2.084 118.189 120.300 -0.045 0.000 2.462 230 Y HA 0.144 4.690 4.550 -0.007 0.000 0.253 230 Y C 0.776 176.447 175.900 -0.383 0.000 1.095 230 Y CA -0.002 57.974 58.100 -0.207 0.000 1.283 230 Y CB 0.616 38.956 38.460 -0.200 0.000 1.138 230 Y HN 0.035 nan 8.280 nan 0.000 0.522 231 Y N -1.055 119.351 120.300 0.177 0.000 2.846 231 Y HA 0.517 5.062 4.550 -0.008 0.000 0.258 231 Y C 1.293 177.280 175.900 0.146 0.000 1.077 231 Y CA 0.039 58.264 58.100 0.208 0.000 1.270 231 Y CB 0.271 38.938 38.460 0.344 0.000 1.476 231 Y HN -0.146 nan 8.280 nan 0.000 0.460 232 G N 0.728 109.677 108.800 0.247 0.000 2.777 232 G HA2 0.115 4.071 3.960 -0.008 0.000 0.686 232 G HA3 0.115 4.071 3.960 -0.008 0.000 0.686 232 G C -0.584 174.422 174.900 0.177 0.000 1.177 232 G CA -0.109 45.075 45.100 0.141 0.000 0.775 232 G HN 0.369 nan 8.290 nan 0.000 0.613 233 T N 0.529 115.149 114.554 0.110 0.000 2.883 233 T HA 0.627 4.973 4.350 -0.008 0.000 0.301 233 T C 1.244 175.990 174.700 0.077 0.000 1.158 233 T CA -0.256 61.915 62.100 0.119 0.000 1.007 233 T CB 1.433 70.374 68.868 0.122 0.000 1.186 233 T HN 0.447 nan 8.240 nan 0.000 0.499 234 K N 1.272 121.718 120.400 0.077 0.000 2.148 234 K HA 0.055 4.370 4.320 -0.008 0.000 0.204 234 K C 0.257 176.892 176.600 0.058 0.000 1.050 234 K CA 0.897 57.220 56.287 0.060 0.000 0.942 234 K CB -0.132 32.402 32.500 0.057 0.000 0.724 234 K HN 0.611 nan 8.250 nan 0.000 0.446 235 D N 0.598 121.040 120.400 0.070 0.000 2.362 235 D HA 0.039 4.674 4.640 -0.008 0.000 0.242 235 D C -1.576 174.754 176.300 0.050 0.000 1.132 235 D CA -1.618 52.429 54.000 0.079 0.000 0.907 235 D CB 0.700 41.572 40.800 0.120 0.000 1.195 235 D HN -0.126 nan 8.370 nan 0.000 0.429 236 P HA -0.052 nan 4.420 nan 0.000 0.222 236 P C 0.001 177.292 177.300 -0.015 0.000 1.147 236 P CA 0.653 63.769 63.100 0.026 0.000 0.790 236 P CB 0.523 32.250 31.700 0.045 0.000 0.780 237 V N 0.351 120.241 119.914 -0.041 0.000 2.777 237 V HA 0.226 4.341 4.120 -0.008 0.000 0.306 237 V C -1.799 174.134 176.094 -0.267 0.000 1.112 237 V CA -1.475 60.720 62.300 -0.175 0.000 0.917 237 V CB 2.742 34.428 31.823 -0.229 0.000 1.018 237 V HN -0.101 nan 8.190 nan 0.000 0.426 238 P HA 0.176 nan 4.420 nan 0.000 0.224 238 P C 0.465 177.578 177.300 -0.311 0.000 1.157 238 P CA 0.671 63.642 63.100 -0.215 0.000 0.799 238 P CB 0.623 32.170 31.700 -0.255 0.000 0.809 239 G N -1.264 107.246 108.800 -0.484 0.000 2.612 239 G HA2 0.601 4.556 3.960 -0.008 0.000 0.298 239 G HA3 0.601 4.556 3.960 -0.008 0.000 0.298 239 G C -1.920 172.640 174.900 -0.566 0.000 1.336 239 G CA -0.414 44.439 45.100 -0.412 0.000 0.953 239 G HN -0.107 nan 8.290 nan 0.000 0.482 240 Y N -0.393 119.967 120.300 0.101 0.000 2.602 240 Y HA 0.816 5.361 4.550 -0.008 0.000 0.342 240 Y C 0.550 176.561 175.900 0.185 0.000 1.029 240 Y CA -0.816 57.372 58.100 0.147 0.000 1.080 240 Y CB 2.695 41.278 38.460 0.204 0.000 1.284 240 Y HN 0.677 nan 8.280 nan 0.000 0.485 241 S N 0.129 116.030 115.700 0.335 0.000 2.671 241 S HA 0.855 5.320 4.470 -0.008 0.000 0.277 241 S C -1.678 173.016 174.600 0.157 0.000 1.165 241 S CA -0.580 57.802 58.200 0.304 0.000 0.822 241 S CB 1.254 64.613 63.200 0.264 0.000 1.150 241 S HN 0.825 nan 8.310 nan 0.000 0.479 242 V N 0.181 120.133 119.914 0.063 0.000 3.001 242 V HA 0.804 4.919 4.120 -0.008 0.000 0.314 242 V C -2.924 173.085 176.094 -0.142 0.000 1.099 242 V CA -2.458 59.810 62.300 -0.053 0.000 0.989 242 V CB 0.577 32.344 31.823 -0.093 0.000 1.040 242 V HN 0.720 nan 8.190 nan 0.000 0.434 243 P HA 0.510 nan 4.420 nan 0.000 0.265 243 P C -0.512 176.555 177.300 -0.388 0.000 1.187 243 P CA 0.557 63.343 63.100 -0.523 0.000 0.766 243 P CB 0.587 31.551 31.700 -1.226 0.000 0.820 244 A N 1.946 124.585 122.820 -0.302 0.000 2.547 244 A HA 0.712 5.027 4.320 -0.008 0.000 0.297 244 A C -0.899 176.598 177.584 -0.146 0.000 1.056 244 A CA -0.529 51.383 52.037 -0.207 0.000 0.688 244 A CB 1.453 20.350 19.000 -0.171 0.000 1.282 244 A HN 0.534 nan 8.150 nan 0.000 0.400 245 A N 1.127 123.876 122.820 -0.118 0.000 2.302 245 A HA 0.702 5.017 4.320 -0.008 0.000 0.285 245 A C 0.202 177.711 177.584 -0.125 0.000 1.105 245 A CA 0.137 52.137 52.037 -0.060 0.000 0.816 245 A CB 0.228 19.222 19.000 -0.009 0.000 1.067 245 A HN 1.037 nan 8.150 nan 0.000 0.489 246 E N 0.211 120.357 120.200 -0.089 0.000 2.334 246 E HA 0.411 4.756 4.350 -0.008 0.000 0.256 246 E C -0.142 176.379 176.600 -0.133 0.000 0.958 246 E CA -0.832 55.474 56.400 -0.157 0.000 0.821 246 E CB 0.385 30.040 29.700 -0.075 0.000 1.269 246 E HN 0.632 nan 8.360 nan 0.000 0.413 247 H N 0.217 119.275 119.070 -0.021 0.000 2.387 247 H HA -0.134 4.417 4.556 -0.008 0.000 0.299 247 H C 2.270 177.612 175.328 0.023 0.000 1.090 247 H CA 2.182 58.218 56.048 -0.020 0.000 1.332 247 H CB -0.028 29.700 29.762 -0.056 0.000 1.386 247 H HN 0.660 nan 8.280 nan 0.000 0.516 248 S N 0.693 116.477 115.700 0.139 0.000 2.368 248 S HA -0.157 4.308 4.470 -0.008 0.000 0.225 248 S C 2.327 177.018 174.600 0.153 0.000 1.030 248 S CA 1.870 60.141 58.200 0.118 0.000 0.999 248 S CB -0.783 62.465 63.200 0.080 0.000 0.844 248 S HN 0.583 nan 8.310 nan 0.000 0.459 249 T N -0.494 114.156 114.554 0.160 0.000 3.035 249 T HA 0.194 4.540 4.350 -0.008 0.000 0.268 249 T C 1.696 176.616 174.700 0.366 0.000 1.109 249 T CA 0.544 62.794 62.100 0.251 0.000 1.119 249 T CB -0.367 68.634 68.868 0.222 0.000 0.900 249 T HN 0.346 nan 8.240 nan 0.000 0.503 250 I N 2.663 123.391 120.570 0.262 0.000 2.512 250 I HA 0.008 4.173 4.170 -0.008 0.000 0.247 250 I C 2.976 179.284 176.117 0.318 0.000 1.094 250 I CA 1.693 63.146 61.300 0.255 0.000 1.427 250 I CB -1.660 36.451 38.000 0.186 0.000 1.149 250 I HN 0.463 nan 8.210 nan 0.000 0.438 251 T N 0.066 114.766 114.554 0.244 0.000 2.915 251 T HA -0.007 4.338 4.350 -0.008 0.000 0.269 251 T C 1.995 176.855 174.700 0.266 0.000 1.071 251 T CA 1.010 63.268 62.100 0.262 0.000 1.132 251 T CB -0.479 68.486 68.868 0.161 0.000 0.878 251 T HN 0.235 nan 8.240 nan 0.000 0.479 252 A N 0.578 123.540 122.820 0.237 0.000 2.076 252 A HA -0.008 4.307 4.320 -0.008 0.000 0.220 252 A C 1.841 179.469 177.584 0.073 0.000 1.160 252 A CA 1.060 53.169 52.037 0.120 0.000 0.653 252 A CB -1.258 17.773 19.000 0.050 0.000 0.801 252 A HN 0.759 nan 8.150 nan 0.000 0.455 253 W N -0.653 120.680 121.300 0.054 0.000 2.937 253 W HA 0.375 5.030 4.660 -0.008 0.000 0.245 253 W C 1.321 177.886 176.519 0.075 0.000 1.306 253 W CA 1.162 58.525 57.345 0.030 0.000 1.470 253 W CB -0.383 29.103 29.460 0.043 0.000 1.132 253 W HN 0.650 nan 8.180 nan 0.000 0.675 254 G N 0.300 109.271 108.800 0.285 0.000 2.719 254 G HA2 -0.288 3.667 3.960 -0.008 0.000 0.686 254 G HA3 -0.288 3.667 3.960 -0.008 0.000 0.686 254 G C 0.510 175.506 174.900 0.161 0.000 1.201 254 G CA -0.152 45.079 45.100 0.218 0.000 0.768 254 G HN 0.134 nan 8.290 nan 0.000 0.629 255 K N -0.204 120.180 120.400 -0.028 0.000 2.063 255 K HA -0.129 4.186 4.320 -0.008 0.000 0.208 255 K C 1.555 177.898 176.600 -0.428 0.000 1.048 255 K CA 1.952 57.969 56.287 -0.448 0.000 0.928 255 K CB -0.089 32.086 32.500 -0.542 0.000 0.713 255 K HN 0.487 nan 8.250 nan 0.000 0.442 256 D N -0.336 119.884 120.400 -0.300 0.000 2.363 256 D HA -0.067 4.569 4.640 -0.008 0.000 0.226 256 D C 0.345 176.312 176.300 -0.555 0.000 1.020 256 D CA 0.765 54.513 54.000 -0.420 0.000 0.892 256 D CB 0.136 40.670 40.800 -0.443 0.000 0.900 256 D HN 0.358 nan 8.370 nan 0.000 0.531 257 H N -0.519 118.505 119.070 -0.076 0.000 2.510 257 H HA 0.134 4.685 4.556 -0.008 0.000 0.266 257 H C 1.269 176.522 175.328 -0.124 0.000 1.146 257 H CA -0.136 55.893 56.048 -0.032 0.000 0.993 257 H CB 0.641 30.479 29.762 0.127 0.000 1.727 257 H HN 0.257 nan 8.280 nan 0.000 0.590 258 E N 1.911 122.011 120.200 -0.166 0.000 2.085 258 E HA -0.178 4.167 4.350 -0.008 0.000 0.194 258 E C 2.136 178.265 176.600 -0.785 0.000 0.994 258 E CA 0.973 57.121 56.400 -0.419 0.000 0.801 258 E CB 0.332 29.789 29.700 -0.406 0.000 0.743 258 E HN 0.274 nan 8.360 nan 0.000 0.453 259 K N 0.311 120.369 120.400 -0.571 0.000 2.063 259 K HA -0.201 4.114 4.320 -0.008 0.000 0.208 259 K C 1.576 177.989 176.600 -0.311 0.000 1.048 259 K CA 1.879 57.889 56.287 -0.461 0.000 0.928 259 K CB -0.006 32.337 32.500 -0.261 0.000 0.713 259 K HN 0.134 nan 8.250 nan 0.000 0.442 260 D N 0.354 120.606 120.400 -0.248 0.000 2.144 260 D HA -0.132 4.503 4.640 -0.008 0.000 0.200 260 D C 1.824 177.674 176.300 -0.750 0.000 0.978 260 D CA 1.256 55.097 54.000 -0.266 0.000 0.833 260 D CB -0.173 40.625 40.800 -0.004 0.000 0.961 260 D HN 0.363 nan 8.370 nan 0.000 0.470 261 A N 1.151 123.355 122.820 -1.028 0.000 1.865 261 A HA -0.195 4.120 4.320 -0.008 0.000 0.217 261 A C 2.050 179.390 177.584 -0.407 0.000 1.191 261 A CA 1.076 52.277 52.037 -1.393 0.000 0.623 261 A CB -0.980 17.460 19.000 -0.934 0.000 0.826 261 A HN 0.064 nan 8.150 nan 0.000 0.444 262 F N 0.078 119.779 119.950 -0.415 0.000 2.065 262 F HA -0.199 4.323 4.527 -0.008 0.000 0.298 262 F C 2.401 178.136 175.800 -0.108 0.000 1.112 262 F CA 1.478 59.327 58.000 -0.251 0.000 1.212 262 F CB -1.208 37.415 39.000 -0.628 0.000 0.975 262 F HN 0.525 nan 8.300 nan 0.000 0.476 263 E N -0.982 119.241 120.200 0.038 0.000 2.051 263 E HA -0.261 4.084 4.350 -0.008 0.000 0.192 263 E C 2.447 179.076 176.600 0.048 0.000 0.991 263 E CA 1.396 57.822 56.400 0.043 0.000 0.799 263 E CB -0.470 29.239 29.700 0.015 0.000 0.748 263 E HN 0.480 nan 8.360 nan 0.000 0.449 264 H N 0.460 119.464 119.070 -0.111 0.000 2.319 264 H HA -0.140 4.411 4.556 -0.008 0.000 0.299 264 H C 2.206 177.558 175.328 0.041 0.000 1.092 264 H CA 2.046 58.076 56.048 -0.030 0.000 1.302 264 H CB -0.067 29.666 29.762 -0.048 0.000 1.373 264 H HN 0.263 nan 8.280 nan 0.000 0.497 265 I N 0.903 121.532 120.570 0.098 0.000 2.202 265 I HA -0.236 3.930 4.170 -0.008 0.000 0.242 265 I C 2.875 179.087 176.117 0.159 0.000 1.091 265 I CA 1.242 62.642 61.300 0.167 0.000 1.368 265 I CB -0.235 37.908 38.000 0.238 0.000 1.058 265 I HN 0.178 nan 8.210 nan 0.000 0.410 266 V N -1.331 118.662 119.914 0.132 0.000 2.626 266 V HA -0.185 3.930 4.120 -0.008 0.000 0.252 266 V C 2.447 178.561 176.094 0.032 0.000 1.067 266 V CA 2.056 64.417 62.300 0.103 0.000 1.081 266 V CB -1.731 30.165 31.823 0.122 0.000 0.686 266 V HN 0.591 nan 8.190 nan 0.000 0.468 267 T N -3.074 111.464 114.554 -0.026 0.000 2.896 267 T HA -0.119 4.226 4.350 -0.008 0.000 0.263 267 T C 1.987 176.585 174.700 -0.170 0.000 1.050 267 T CA 1.071 63.124 62.100 -0.077 0.000 1.140 267 T CB -0.390 68.438 68.868 -0.067 0.000 0.877 267 T HN 0.450 nan 8.240 nan 0.000 0.457 268 Q N 0.612 120.229 119.800 -0.305 0.000 2.124 268 Q HA 0.053 4.388 4.340 -0.008 0.000 0.202 268 Q C 0.196 175.790 176.000 -0.677 0.000 0.977 268 Q CA 1.017 56.484 55.803 -0.560 0.000 0.850 268 Q CB -0.238 28.028 28.738 -0.786 0.000 0.901 268 Q HN 0.672 nan 8.270 nan 0.000 0.429 269 F N 0.396 120.311 119.950 -0.058 0.000 2.532 269 F HA 0.185 4.708 4.527 -0.008 0.000 0.313 269 F C 1.129 176.900 175.800 -0.048 0.000 1.301 269 F CA -0.418 57.556 58.000 -0.043 0.000 1.154 269 F CB 0.396 39.374 39.000 -0.038 0.000 1.335 269 F HN -0.088 nan 8.300 nan 0.000 0.542 270 S N -2.135 113.589 115.700 0.041 0.000 2.501 270 S HA -0.012 4.453 4.470 -0.008 0.000 0.220 270 S C 1.364 175.973 174.600 0.015 0.000 0.997 270 S CA 0.595 58.803 58.200 0.013 0.000 0.919 270 S CB 0.011 63.200 63.200 -0.020 0.000 0.778 270 S HN 0.235 nan 8.310 nan 0.000 0.523 271 S N 0.779 116.497 115.700 0.030 0.000 2.603 271 S HA 0.409 4.874 4.470 -0.008 0.000 0.232 271 S C 0.248 174.863 174.600 0.025 0.000 1.016 271 S CA -0.066 58.145 58.200 0.019 0.000 0.976 271 S CB 0.846 64.054 63.200 0.013 0.000 0.921 271 S HN 0.604 nan 8.310 nan 0.000 0.516 272 V N -0.942 119.002 119.914 0.051 0.000 2.960 272 V HA 0.717 4.832 4.120 -0.008 0.000 0.315 272 V C -3.300 172.789 176.094 -0.008 0.000 1.087 272 V CA -3.213 59.104 62.300 0.027 0.000 0.982 272 V CB 1.110 32.970 31.823 0.062 0.000 1.039 272 V HN -0.211 nan 8.190 nan 0.000 0.437 273 P HA 0.290 nan 4.420 nan 0.000 0.266 273 P C -0.859 176.369 177.300 -0.119 0.000 1.195 273 P CA 0.206 63.249 63.100 -0.094 0.000 0.768 273 P CB 0.941 32.571 31.700 -0.116 0.000 0.838 274 V N 2.674 122.503 119.914 -0.142 0.000 2.623 274 V HA 0.425 4.540 4.120 -0.008 0.000 0.304 274 V C -0.646 175.321 176.094 -0.211 0.000 1.054 274 V CA -0.486 61.707 62.300 -0.178 0.000 0.882 274 V CB 1.954 33.718 31.823 -0.097 0.000 1.002 274 V HN 0.524 nan 8.190 nan 0.000 0.424 275 S N 5.385 120.956 115.700 -0.215 0.000 2.457 275 S HA 0.739 5.205 4.470 -0.008 0.000 0.289 275 S C -0.858 173.616 174.600 -0.210 0.000 1.163 275 S CA -0.423 57.645 58.200 -0.220 0.000 1.078 275 S CB 1.130 64.216 63.200 -0.190 0.000 0.987 275 S HN 0.780 nan 8.310 nan 0.000 0.482 276 V N 6.003 125.775 119.914 -0.236 0.000 2.380 276 V HA 0.348 4.463 4.120 -0.008 0.000 0.286 276 V C 0.157 176.146 176.094 -0.174 0.000 1.015 276 V CA -0.923 61.263 62.300 -0.189 0.000 0.834 276 V CB 1.418 33.136 31.823 -0.175 0.000 1.009 276 V HN 0.751 nan 8.190 nan 0.000 0.428 277 V N 5.090 124.901 119.914 -0.171 0.000 2.509 277 V HA 0.077 4.192 4.120 -0.008 0.000 0.297 277 V C 1.129 177.205 176.094 -0.030 0.000 1.014 277 V CA 1.205 63.397 62.300 -0.180 0.000 1.127 277 V CB 1.494 33.080 31.823 -0.395 0.000 0.925 277 V HN 1.022 nan 8.190 nan 0.000 0.480 278 S N 3.729 119.454 115.700 0.043 0.000 2.650 278 S HA 0.145 4.610 4.470 -0.008 0.000 0.240 278 S C 0.759 175.457 174.600 0.164 0.000 1.007 278 S CA 0.123 58.465 58.200 0.238 0.000 0.984 278 S CB 0.030 63.423 63.200 0.322 0.000 0.910 278 S HN 1.012 nan 8.310 nan 0.000 0.509 279 D N 0.412 120.857 120.400 0.074 0.000 2.402 279 D HA 0.191 4.826 4.640 -0.008 0.000 0.216 279 D C 0.942 177.235 176.300 -0.012 0.000 1.128 279 D CA 0.011 54.021 54.000 0.017 0.000 0.833 279 D CB -0.156 40.642 40.800 -0.003 0.000 0.971 279 D HN 0.016 nan 8.370 nan 0.000 0.503 280 S N -0.121 115.544 115.700 -0.059 0.000 2.387 280 S HA -0.167 4.299 4.470 -0.008 0.000 0.230 280 S C 0.730 174.941 174.600 -0.647 0.000 1.035 280 S CA 1.441 59.414 58.200 -0.378 0.000 1.014 280 S CB -0.203 62.613 63.200 -0.639 0.000 0.836 280 S HN 0.480 nan 8.310 nan 0.000 0.466 281 Y N -0.726 119.585 120.300 0.019 0.000 2.846 281 Y HA 0.427 4.972 4.550 -0.008 0.000 0.258 281 Y C 0.233 176.120 175.900 -0.021 0.000 1.077 281 Y CA -0.577 57.516 58.100 -0.013 0.000 1.270 281 Y CB 0.571 39.011 38.460 -0.032 0.000 1.476 281 Y HN 0.040 nan 8.280 nan 0.000 0.460 282 D N 0.093 120.565 120.400 0.120 0.000 2.365 282 D HA 0.127 4.763 4.640 -0.008 0.000 0.235 282 D C 0.342 176.631 176.300 -0.018 0.000 1.368 282 D CA -0.150 53.874 54.000 0.040 0.000 1.001 282 D CB 1.253 42.103 40.800 0.083 0.000 1.364 282 D HN 0.178 nan 8.370 nan 0.000 0.577 283 I N 4.060 124.521 120.570 -0.183 0.000 2.264 283 I HA -0.235 3.930 4.170 -0.008 0.000 0.248 283 I C 1.005 177.035 176.117 -0.145 0.000 1.111 283 I CA 1.770 62.935 61.300 -0.226 0.000 1.382 283 I CB -0.164 37.585 38.000 -0.419 0.000 1.060 283 I HN 0.375 nan 8.210 nan 0.000 0.418 284 Y N 0.269 120.627 120.300 0.097 0.000 2.263 284 Y HA -0.112 4.433 4.550 -0.008 0.000 0.292 284 Y C 2.541 178.500 175.900 0.098 0.000 1.130 284 Y CA 1.366 59.520 58.100 0.091 0.000 1.179 284 Y CB -1.526 36.974 38.460 0.068 0.000 0.998 284 Y HN 0.343 nan 8.280 nan 0.000 0.532 285 N N 0.713 119.532 118.700 0.198 0.000 2.120 285 N HA -0.189 4.546 4.740 -0.008 0.000 0.188 285 N C 1.988 177.565 175.510 0.112 0.000 1.024 285 N CA 1.251 54.378 53.050 0.128 0.000 0.852 285 N CB -0.085 38.449 38.487 0.079 0.000 1.003 285 N HN 0.347 nan 8.380 nan 0.000 0.424 286 A N 0.822 123.713 122.820 0.118 0.000 1.902 286 A HA -0.142 4.174 4.320 -0.008 0.000 0.217 286 A C 2.806 180.539 177.584 0.248 0.000 1.181 286 A CA 1.450 53.568 52.037 0.135 0.000 0.623 286 A CB -1.047 18.101 19.000 0.247 0.000 0.818 286 A HN 0.595 nan 8.150 nan 0.000 0.443 287 C N -1.340 118.163 119.300 0.339 0.000 2.453 287 C HA -0.025 4.430 4.460 -0.008 0.000 0.277 287 C C 2.706 177.914 174.990 0.363 0.000 1.262 287 C CA 1.241 60.516 59.018 0.430 0.000 1.718 287 C CB -0.987 26.941 27.740 0.313 0.000 2.031 287 C HN 0.789 nan 8.230 nan 0.000 0.480 288 E N 0.471 120.825 120.200 0.256 0.000 2.060 288 E HA -0.135 4.210 4.350 -0.008 0.000 0.189 288 E C 2.288 178.978 176.600 0.150 0.000 0.974 288 E CA 0.763 57.280 56.400 0.196 0.000 0.808 288 E CB -0.043 29.750 29.700 0.154 0.000 0.768 288 E HN 0.521 nan 8.360 nan 0.000 0.453 289 K N 0.094 120.566 120.400 0.120 0.000 2.141 289 K HA 0.040 4.356 4.320 -0.008 0.000 0.202 289 K C 2.079 178.712 176.600 0.054 0.000 1.045 289 K CA 0.474 56.802 56.287 0.068 0.000 0.971 289 K CB 0.146 32.666 32.500 0.033 0.000 0.795 289 K HN 0.100 nan 8.250 nan 0.000 0.459 290 I N -0.559 120.026 120.570 0.024 0.000 2.188 290 I HA -0.174 3.991 4.170 -0.008 0.000 0.237 290 I C 2.108 178.255 176.117 0.051 0.000 1.073 290 I CA 1.082 62.343 61.300 -0.065 0.000 1.359 290 I CB -0.449 37.394 38.000 -0.261 0.000 1.083 290 I HN 0.255 nan 8.210 nan 0.000 0.412 291 W N 0.970 122.418 121.300 0.247 0.000 2.381 291 W HA -0.048 4.607 4.660 -0.008 0.000 0.301 291 W C 2.520 179.219 176.519 0.300 0.000 1.205 291 W CA 0.761 58.257 57.345 0.251 0.000 1.285 291 W CB -0.581 29.008 29.460 0.214 0.000 1.133 291 W HN 0.121 nan 8.180 nan 0.000 0.521 292 G N -0.546 108.527 108.800 0.455 0.000 2.623 292 G HA2 -0.026 3.929 3.960 -0.008 0.000 0.214 292 G HA3 -0.026 3.929 3.960 -0.008 0.000 0.214 292 G C 1.084 175.993 174.900 0.014 0.000 1.138 292 G CA 0.826 46.041 45.100 0.192 0.000 0.794 292 G HN 0.279 nan 8.290 nan 0.000 0.535 293 E N -0.541 119.712 120.200 0.089 0.000 3.596 293 E HA 0.042 4.387 4.350 -0.008 0.000 0.188 293 E C 1.440 178.099 176.600 0.098 0.000 1.232 293 E CA -0.147 56.285 56.400 0.054 0.000 1.460 293 E CB 0.223 29.945 29.700 0.037 0.000 1.513 293 E HN -0.040 nan 8.360 nan 0.000 0.530 294 D N 1.057 121.513 120.400 0.092 0.000 2.123 294 D HA -0.113 4.522 4.640 -0.008 0.000 0.196 294 D C 1.447 177.863 176.300 0.194 0.000 0.992 294 D CA 1.282 55.342 54.000 0.100 0.000 0.833 294 D CB 0.222 41.040 40.800 0.030 0.000 0.954 294 D HN 0.122 nan 8.370 nan 0.000 0.455 295 L N -0.209 121.116 121.223 0.171 0.000 2.959 295 L HA 0.292 4.628 4.340 -0.008 0.000 0.259 295 L C 1.905 178.828 176.870 0.089 0.000 1.185 295 L CA -0.273 54.621 54.840 0.091 0.000 0.998 295 L CB 0.482 42.610 42.059 0.115 0.000 1.337 295 L HN -0.141 nan 8.230 nan 0.000 0.555 296 R N 1.013 121.635 120.500 0.204 0.000 2.117 296 R HA -0.217 4.119 4.340 -0.008 0.000 0.243 296 R C 2.409 178.786 176.300 0.127 0.000 1.143 296 R CA 2.163 58.381 56.100 0.197 0.000 0.968 296 R CB -0.227 30.097 30.300 0.039 0.000 0.863 296 R HN 0.583 nan 8.270 nan 0.000 0.444 297 H N -0.244 118.869 119.070 0.071 0.000 2.456 297 H HA -0.109 4.442 4.556 -0.008 0.000 0.296 297 H C 1.770 177.114 175.328 0.027 0.000 1.079 297 H CA 1.207 57.275 56.048 0.032 0.000 1.322 297 H CB -0.425 29.351 29.762 0.023 0.000 1.388 297 H HN 0.307 nan 8.280 nan 0.000 0.538 298 L N 0.197 121.150 121.223 -0.449 0.000 2.509 298 L HA 0.004 4.339 4.340 -0.008 0.000 0.222 298 L C 1.987 178.787 176.870 -0.117 0.000 1.123 298 L CA -0.090 54.595 54.840 -0.259 0.000 0.856 298 L CB 0.046 41.937 42.059 -0.279 0.000 0.985 298 L HN 0.160 nan 8.230 nan 0.000 0.456 299 I N -0.406 120.124 120.570 -0.067 0.000 2.556 299 I HA -0.079 4.087 4.170 -0.008 0.000 0.251 299 I C 2.561 178.438 176.117 -0.400 0.000 1.105 299 I CA 1.125 62.371 61.300 -0.090 0.000 1.436 299 I CB -0.973 37.090 38.000 0.105 0.000 1.139 299 I HN 0.105 nan 8.210 nan 0.000 0.438 300 V N -0.020 119.656 119.914 -0.398 0.000 3.026 300 V HA -0.089 4.026 4.120 -0.008 0.000 0.265 300 V C 2.105 177.832 176.094 -0.612 0.000 1.121 300 V CA 1.717 63.515 62.300 -0.837 0.000 1.142 300 V CB -1.385 30.306 31.823 -0.220 0.000 0.730 300 V HN 0.480 nan 8.190 nan 0.000 0.503 301 S N -0.760 114.742 115.700 -0.329 0.000 2.548 301 S HA 0.256 4.721 4.470 -0.008 0.000 0.215 301 S C 0.965 175.480 174.600 -0.142 0.000 0.976 301 S CA -0.474 57.624 58.200 -0.171 0.000 0.908 301 S CB -0.251 62.902 63.200 -0.079 0.000 0.781 301 S HN 0.681 nan 8.310 nan 0.000 0.519 302 R N 2.472 122.855 120.500 -0.195 0.000 2.582 302 R HA 0.416 4.752 4.340 -0.008 0.000 0.271 302 R C 0.539 176.841 176.300 0.002 0.000 1.078 302 R CA 0.083 56.136 56.100 -0.078 0.000 1.127 302 R CB 0.658 30.922 30.300 -0.061 0.000 1.038 302 R HN 0.464 nan 8.270 nan 0.000 0.500 303 S N 0.295 116.005 115.700 0.017 0.000 2.614 303 S HA 0.035 4.501 4.470 -0.008 0.000 0.265 303 S C 1.003 175.634 174.600 0.051 0.000 1.303 303 S CA -0.623 57.599 58.200 0.037 0.000 1.000 303 S CB 1.500 64.707 63.200 0.012 0.000 0.935 303 S HN 0.556 nan 8.310 nan 0.000 0.551 304 T N 1.642 116.222 114.554 0.043 0.000 2.881 304 T HA -0.082 4.263 4.350 -0.008 0.000 0.270 304 T C 1.429 176.116 174.700 -0.021 0.000 1.068 304 T CA 1.639 63.747 62.100 0.013 0.000 1.131 304 T CB -0.351 68.519 68.868 0.003 0.000 0.871 304 T HN 0.630 nan 8.240 nan 0.000 0.479 305 Q N 0.260 120.047 119.800 -0.023 0.000 2.451 305 Q HA 0.391 4.726 4.340 -0.008 0.000 0.206 305 Q C 0.961 176.931 176.000 -0.050 0.000 0.947 305 Q CA 0.287 56.063 55.803 -0.045 0.000 0.937 305 Q CB 0.371 29.085 28.738 -0.039 0.000 1.025 305 Q HN 0.445 nan 8.270 nan 0.000 0.511 306 A N 1.140 123.940 122.820 -0.034 0.000 3.297 306 A HA 0.377 4.693 4.320 -0.008 0.000 0.304 306 A C -2.616 174.942 177.584 -0.043 0.000 0.963 306 A CA -1.259 50.756 52.037 -0.037 0.000 0.935 306 A CB 0.270 19.260 19.000 -0.017 0.000 1.093 306 A HN -0.034 nan 8.150 nan 0.000 0.480 307 P HA 0.273 nan 4.420 nan 0.000 0.274 307 P C -0.164 177.048 177.300 -0.146 0.000 1.231 307 P CA -0.286 62.764 63.100 -0.083 0.000 0.790 307 P CB 1.155 32.785 31.700 -0.117 0.000 0.951 308 L N 3.064 124.167 121.223 -0.199 0.000 2.360 308 L HA 0.289 4.624 4.340 -0.008 0.000 0.276 308 L C -0.399 176.245 176.870 -0.376 0.000 1.121 308 L CA 0.095 54.730 54.840 -0.342 0.000 0.845 308 L CB -0.446 41.305 42.059 -0.513 0.000 1.143 308 L HN 0.183 nan 8.230 nan 0.000 0.452 309 I N 6.811 127.162 120.570 -0.365 0.000 2.359 309 I HA 0.318 4.484 4.170 -0.008 0.000 0.284 309 I C -0.244 175.645 176.117 -0.379 0.000 1.018 309 I CA -0.281 60.820 61.300 -0.331 0.000 1.173 309 I CB 0.937 38.792 38.000 -0.242 0.000 1.326 309 I HN 0.506 nan 8.210 nan 0.000 0.462 310 I N 6.082 126.401 120.570 -0.418 0.000 2.471 310 I HA 0.196 4.362 4.170 -0.008 0.000 0.286 310 I C 0.637 176.612 176.117 -0.237 0.000 1.079 310 I CA -0.026 61.048 61.300 -0.377 0.000 1.398 310 I CB 0.461 38.231 38.000 -0.382 0.000 1.403 310 I HN 0.550 nan 8.210 nan 0.000 0.530 311 R N 9.136 129.524 120.500 -0.186 0.000 2.272 311 R HA 0.388 4.724 4.340 -0.008 0.000 0.323 311 R C -2.523 173.716 176.300 -0.102 0.000 1.002 311 R CA -1.684 54.328 56.100 -0.147 0.000 0.900 311 R CB 0.969 31.168 30.300 -0.169 0.000 1.151 311 R HN 0.285 nan 8.270 nan 0.000 0.507 312 P HA 0.100 nan 4.420 nan 0.000 0.272 312 P C -0.771 176.504 177.300 -0.042 0.000 1.223 312 P CA 0.058 63.122 63.100 -0.060 0.000 0.784 312 P CB 1.197 32.862 31.700 -0.058 0.000 0.923 313 D N -0.504 119.888 120.400 -0.014 0.000 2.602 313 D HA 0.121 4.757 4.640 -0.008 0.000 0.265 313 D C -0.581 175.736 176.300 0.027 0.000 1.454 313 D CA -0.033 53.977 54.000 0.017 0.000 0.795 313 D CB 0.329 41.161 40.800 0.054 0.000 1.140 313 D HN 0.358 nan 8.370 nan 0.000 0.486 314 S N -1.872 113.832 115.700 0.005 0.000 2.615 314 S HA 0.808 5.273 4.470 -0.008 0.000 0.269 314 S C 0.409 175.014 174.600 0.007 0.000 1.161 314 S CA -0.330 57.870 58.200 0.001 0.000 0.817 314 S CB 1.512 64.701 63.200 -0.018 0.000 1.131 314 S HN 0.606 nan 8.310 nan 0.000 0.467 315 G N 1.378 110.191 108.800 0.021 0.000 2.725 315 G HA2 -0.133 3.822 3.960 -0.008 0.000 0.220 315 G HA3 -0.133 3.822 3.960 -0.008 0.000 0.220 315 G C -0.572 174.359 174.900 0.053 0.000 1.357 315 G CA -0.331 44.797 45.100 0.046 0.000 0.866 315 G HN 1.154 nan 8.290 nan 0.000 0.548 316 N N 1.241 119.981 118.700 0.067 0.000 2.438 316 N HA 0.183 4.919 4.740 -0.008 0.000 0.267 316 N C -0.799 174.751 175.510 0.067 0.000 1.222 316 N CA -0.622 52.466 53.050 0.062 0.000 0.930 316 N CB 1.175 39.699 38.487 0.063 0.000 1.083 316 N HN 0.127 nan 8.380 nan 0.000 0.476 317 P HA -0.161 nan 4.420 nan 0.000 0.215 317 P C 1.582 178.926 177.300 0.073 0.000 1.153 317 P CA 0.689 63.831 63.100 0.070 0.000 0.853 317 P CB 0.257 32.004 31.700 0.077 0.000 0.788 318 L N -0.055 121.208 121.223 0.067 0.000 2.005 318 L HA -0.120 4.215 4.340 -0.008 0.000 0.207 318 L C 1.571 178.477 176.870 0.059 0.000 1.072 318 L CA 2.119 56.996 54.840 0.063 0.000 0.744 318 L CB -1.463 40.628 42.059 0.053 0.000 0.895 318 L HN -0.166 nan 8.230 nan 0.000 0.433 319 D N -0.936 119.502 120.400 0.065 0.000 2.144 319 D HA -0.156 4.479 4.640 -0.008 0.000 0.199 319 D C 2.038 178.395 176.300 0.096 0.000 0.984 319 D CA 1.837 55.877 54.000 0.068 0.000 0.834 319 D CB -0.315 40.527 40.800 0.069 0.000 0.955 319 D HN 0.401 nan 8.370 nan 0.000 0.465 320 T N 0.526 115.154 114.554 0.124 0.000 2.737 320 T HA -0.073 4.272 4.350 -0.008 0.000 0.265 320 T C 2.308 177.076 174.700 0.113 0.000 1.038 320 T CA 0.616 62.827 62.100 0.185 0.000 1.144 320 T CB -0.386 68.556 68.868 0.123 0.000 0.866 320 T HN -0.034 nan 8.240 nan 0.000 0.434 321 V N 1.673 121.608 119.914 0.035 0.000 2.287 321 V HA -0.142 3.974 4.120 -0.008 0.000 0.248 321 V C 2.516 178.551 176.094 -0.098 0.000 1.053 321 V CA 1.561 63.834 62.300 -0.046 0.000 1.027 321 V CB -0.681 31.112 31.823 -0.050 0.000 0.646 321 V HN 0.435 nan 8.190 nan 0.000 0.447 322 L N -0.481 120.714 121.223 -0.046 0.000 2.083 322 L HA -0.209 4.126 4.340 -0.008 0.000 0.209 322 L C 2.555 179.399 176.870 -0.044 0.000 1.083 322 L CA 1.895 56.701 54.840 -0.056 0.000 0.752 322 L CB -0.555 41.526 42.059 0.037 0.000 0.899 322 L HN 0.308 nan 8.230 nan 0.000 0.433 323 K N -0.056 120.347 120.400 0.005 0.000 2.062 323 K HA -0.114 4.202 4.320 -0.008 0.000 0.205 323 K C 2.043 178.671 176.600 0.047 0.000 1.051 323 K CA 0.907 57.192 56.287 -0.003 0.000 0.941 323 K CB 0.083 32.520 32.500 -0.105 0.000 0.719 323 K HN 0.005 nan 8.250 nan 0.000 0.440 324 V N 1.716 121.686 119.914 0.094 0.000 2.287 324 V HA -0.275 3.840 4.120 -0.008 0.000 0.248 324 V C 2.248 178.289 176.094 -0.088 0.000 1.053 324 V CA 1.711 64.048 62.300 0.062 0.000 1.027 324 V CB -0.338 31.495 31.823 0.016 0.000 0.646 324 V HN 0.328 nan 8.190 nan 0.000 0.447 325 L N -0.407 120.643 121.223 -0.288 0.000 2.056 325 L HA -0.189 4.146 4.340 -0.008 0.000 0.207 325 L C 2.585 179.250 176.870 -0.341 0.000 1.078 325 L CA 1.865 56.315 54.840 -0.650 0.000 0.749 325 L CB -0.572 40.638 42.059 -1.415 0.000 0.901 325 L HN 0.419 nan 8.230 nan 0.000 0.433 326 E N 0.849 121.019 120.200 -0.050 0.000 2.058 326 E HA -0.253 4.092 4.350 -0.008 0.000 0.194 326 E C 2.303 179.005 176.600 0.170 0.000 0.997 326 E CA 1.497 58.019 56.400 0.203 0.000 0.801 326 E CB -0.061 29.730 29.700 0.150 0.000 0.746 326 E HN 0.439 nan 8.360 nan 0.000 0.450 327 I N 0.883 121.521 120.570 0.114 0.000 2.127 327 I HA -0.329 3.837 4.170 -0.008 0.000 0.241 327 I C 2.483 178.717 176.117 0.196 0.000 1.075 327 I CA 1.108 62.496 61.300 0.147 0.000 1.334 327 I CB -0.239 37.861 38.000 0.167 0.000 1.040 327 I HN 0.215 nan 8.210 nan 0.000 0.405 328 L N 0.191 121.522 121.223 0.181 0.000 2.093 328 L HA -0.116 4.219 4.340 -0.008 0.000 0.208 328 L C 2.644 179.722 176.870 0.348 0.000 1.085 328 L CA 1.363 56.371 54.840 0.280 0.000 0.755 328 L CB -1.149 40.957 42.059 0.078 0.000 0.904 328 L HN 0.345 nan 8.230 nan 0.000 0.435 329 G N 0.009 109.001 108.800 0.320 0.000 2.448 329 G HA2 -0.229 3.726 3.960 -0.008 0.000 0.219 329 G HA3 -0.229 3.726 3.960 -0.008 0.000 0.219 329 G C 1.702 176.768 174.900 0.278 0.000 1.127 329 G CA 0.519 45.871 45.100 0.420 0.000 0.766 329 G HN 0.332 nan 8.290 nan 0.000 0.552 330 K N -0.365 120.170 120.400 0.225 0.000 2.356 330 K HA 0.116 4.431 4.320 -0.008 0.000 0.195 330 K C 1.789 178.449 176.600 0.100 0.000 1.037 330 K CA 0.253 56.627 56.287 0.144 0.000 1.014 330 K CB 0.279 32.850 32.500 0.118 0.000 0.815 330 K HN 0.027 nan 8.250 nan 0.000 0.507 331 K N -0.246 120.226 120.400 0.120 0.000 2.354 331 K HA 0.187 4.502 4.320 -0.008 0.000 0.194 331 K C -0.030 176.385 176.600 -0.307 0.000 1.045 331 K CA 0.406 56.648 56.287 -0.075 0.000 1.026 331 K CB 0.507 32.959 32.500 -0.080 0.000 0.866 331 K HN -0.052 nan 8.250 nan 0.000 0.530 332 F N 1.561 121.586 119.950 0.125 0.000 2.577 332 F HA 0.312 4.834 4.527 -0.008 0.000 0.318 332 F C -2.107 173.759 175.800 0.111 0.000 1.065 332 F CA -2.636 55.445 58.000 0.135 0.000 0.929 332 F CB 1.692 40.775 39.000 0.139 0.000 1.237 332 F HN -0.234 nan 8.300 nan 0.000 0.468 333 P HA 0.092 nan 4.420 nan 0.000 0.263 333 P C -0.540 176.840 177.300 0.133 0.000 1.601 333 P CA 0.211 63.416 63.100 0.176 0.000 1.161 333 P CB 0.113 31.914 31.700 0.168 0.000 1.730 334 V N 4.172 124.165 119.914 0.130 0.000 2.637 334 V HA 0.179 4.294 4.120 -0.008 0.000 0.296 334 V C 1.438 177.558 176.094 0.043 0.000 1.046 334 V CA 0.284 62.644 62.300 0.100 0.000 1.066 334 V CB 0.762 32.656 31.823 0.117 0.000 0.968 334 V HN 0.580 nan 8.190 nan 0.000 0.483 335 T N 1.379 115.948 114.554 0.025 0.000 2.919 335 T HA 0.622 4.967 4.350 -0.008 0.000 0.282 335 T C -0.553 174.139 174.700 -0.014 0.000 1.020 335 T CA -0.812 61.292 62.100 0.006 0.000 0.994 335 T CB 2.050 70.924 68.868 0.009 0.000 1.180 335 T HN 0.703 nan 8.240 nan 0.000 0.566 336 E N 1.322 121.512 120.200 -0.017 0.000 2.191 336 E HA 0.327 4.672 4.350 -0.008 0.000 0.263 336 E C -0.392 176.210 176.600 0.005 0.000 0.881 336 E CA -0.896 55.490 56.400 -0.024 0.000 0.757 336 E CB 0.910 30.579 29.700 -0.050 0.000 1.147 336 E HN 0.734 nan 8.360 nan 0.000 0.414 337 N N 1.953 120.674 118.700 0.034 0.000 2.294 337 N HA -0.072 4.664 4.740 -0.008 0.000 0.248 337 N C 0.855 176.393 175.510 0.046 0.000 1.300 337 N CA 0.347 53.425 53.050 0.047 0.000 0.925 337 N CB 0.515 39.044 38.487 0.070 0.000 1.188 337 N HN 0.392 nan 8.380 nan 0.000 0.512 338 S N -1.399 114.328 115.700 0.044 0.000 2.442 338 S HA -0.093 4.372 4.470 -0.008 0.000 0.236 338 S C 1.031 175.663 174.600 0.054 0.000 1.007 338 S CA 0.604 58.826 58.200 0.037 0.000 0.965 338 S CB -0.292 62.925 63.200 0.029 0.000 0.773 338 S HN 0.534 nan 8.310 nan 0.000 0.504 339 K N 0.733 121.195 120.400 0.103 0.000 2.404 339 K HA 0.267 4.582 4.320 -0.008 0.000 0.194 339 K C 1.392 178.085 176.600 0.155 0.000 1.023 339 K CA 0.627 57.015 56.287 0.168 0.000 1.094 339 K CB -0.138 32.509 32.500 0.245 0.000 0.841 339 K HN 0.599 nan 8.250 nan 0.000 0.523 340 G N 1.041 109.873 108.800 0.054 0.000 2.157 340 G HA2 -0.271 3.684 3.960 -0.008 0.000 0.239 340 G HA3 -0.271 3.684 3.960 -0.008 0.000 0.239 340 G C -0.350 174.407 174.900 -0.238 0.000 0.982 340 G CA -0.162 44.872 45.100 -0.110 0.000 0.650 340 G HN 0.262 nan 8.290 nan 0.000 0.527 341 Y N 0.824 121.098 120.300 -0.044 0.000 2.352 341 Y HA 0.553 5.098 4.550 -0.008 0.000 0.326 341 Y C 1.126 176.971 175.900 -0.091 0.000 1.166 341 Y CA -0.698 57.366 58.100 -0.061 0.000 1.182 341 Y CB 1.005 39.465 38.460 0.001 0.000 1.216 341 Y HN -0.029 nan 8.280 nan 0.000 0.474 342 K N 2.708 123.067 120.400 -0.068 0.000 2.350 342 K HA 0.310 4.626 4.320 -0.008 0.000 0.279 342 K C -1.294 175.346 176.600 0.066 0.000 1.027 342 K CA -0.323 55.847 56.287 -0.196 0.000 0.969 342 K CB 0.635 32.661 32.500 -0.791 0.000 0.954 342 K HN 0.342 nan 8.250 nan 0.000 0.474 343 L N 4.439 125.714 121.223 0.086 0.000 2.439 343 L HA 0.333 4.668 4.340 -0.008 0.000 0.270 343 L C -1.013 175.932 176.870 0.125 0.000 0.972 343 L CA -0.470 54.452 54.840 0.136 0.000 0.836 343 L CB 1.363 43.462 42.059 0.067 0.000 1.255 343 L HN 0.526 nan 8.230 nan 0.000 0.404 344 L N 6.158 127.462 121.223 0.136 0.000 2.473 344 L HA 0.350 4.686 4.340 -0.008 0.000 0.268 344 L C -1.692 175.097 176.870 -0.135 0.000 1.215 344 L CA -1.636 53.214 54.840 0.016 0.000 0.823 344 L CB 0.052 42.070 42.059 -0.069 0.000 1.099 344 L HN 0.515 nan 8.230 nan 0.000 0.483 345 P HA 0.009 nan 4.420 nan 0.000 0.268 345 P C -2.187 174.758 177.300 -0.592 0.000 1.208 345 P CA -1.189 61.616 63.100 -0.492 0.000 0.777 345 P CB -0.118 31.061 31.700 -0.869 0.000 0.875 346 P HA -0.130 nan 4.420 nan 0.000 0.225 346 P C 0.989 178.159 177.300 -0.216 0.000 1.148 346 P CA 1.450 64.406 63.100 -0.239 0.000 0.779 346 P CB -0.471 31.165 31.700 -0.106 0.000 0.780 347 Y N -1.520 118.722 120.300 -0.096 0.000 2.490 347 Y HA 0.498 5.044 4.550 -0.008 0.000 0.281 347 Y C 0.504 176.271 175.900 -0.221 0.000 1.174 347 Y CA -1.106 56.915 58.100 -0.131 0.000 1.295 347 Y CB -0.717 37.687 38.460 -0.094 0.000 1.062 347 Y HN -0.213 nan 8.280 nan 0.000 0.522 348 L N 1.883 122.910 121.223 -0.327 0.000 2.439 348 L HA 0.651 4.986 4.340 -0.008 0.000 0.270 348 L C -1.255 175.418 176.870 -0.327 0.000 0.972 348 L CA -1.057 53.564 54.840 -0.366 0.000 0.836 348 L CB 1.334 43.061 42.059 -0.553 0.000 1.255 348 L HN 0.020 nan 8.230 nan 0.000 0.404 349 R N 3.034 123.350 120.500 -0.307 0.000 2.855 349 R HA 0.814 5.149 4.340 -0.008 0.000 0.266 349 R C -1.601 174.528 176.300 -0.286 0.000 1.034 349 R CA -0.861 55.082 56.100 -0.261 0.000 0.944 349 R CB 2.312 32.487 30.300 -0.209 0.000 1.219 349 R HN 0.376 nan 8.270 nan 0.000 0.474 350 V N 1.747 121.503 119.914 -0.264 0.000 2.656 350 V HA 0.558 4.674 4.120 -0.008 0.000 0.307 350 V C -0.271 175.661 176.094 -0.271 0.000 1.051 350 V CA -0.870 61.268 62.300 -0.270 0.000 0.893 350 V CB 2.356 34.013 31.823 -0.278 0.000 0.999 350 V HN 0.635 nan 8.190 nan 0.000 0.426 351 I N 3.239 123.667 120.570 -0.236 0.000 2.436 351 I HA 0.553 4.718 4.170 -0.008 0.000 0.289 351 I C -0.661 175.353 176.117 -0.172 0.000 1.010 351 I CA -0.589 60.583 61.300 -0.215 0.000 1.098 351 I CB 1.850 39.783 38.000 -0.111 0.000 1.266 351 I HN 0.751 nan 8.210 nan 0.000 0.434 352 Q N 5.648 125.314 119.800 -0.224 0.000 2.398 352 Q HA 0.509 4.844 4.340 -0.008 0.000 0.251 352 Q C -0.098 175.962 176.000 0.101 0.000 0.999 352 Q CA -0.248 55.513 55.803 -0.070 0.000 0.874 352 Q CB 1.534 30.231 28.738 -0.069 0.000 1.215 352 Q HN 0.752 nan 8.270 nan 0.000 0.470 353 G N 3.044 111.923 108.800 0.131 0.000 3.993 353 G HA2 0.167 4.122 3.960 -0.008 0.000 0.294 353 G HA3 0.167 4.122 3.960 -0.008 0.000 0.294 353 G C -0.817 174.176 174.900 0.156 0.000 1.043 353 G CA -0.311 44.942 45.100 0.255 0.000 0.839 353 G HN 0.596 nan 8.290 nan 0.000 0.516 354 D N -0.875 119.589 120.400 0.107 0.000 2.505 354 D HA 0.470 5.106 4.640 -0.008 0.000 0.249 354 D C 1.037 177.387 176.300 0.083 0.000 1.082 354 D CA 0.333 54.380 54.000 0.078 0.000 0.839 354 D CB 1.231 42.059 40.800 0.047 0.000 1.317 354 D HN 0.270 nan 8.370 nan 0.000 0.497 355 G N 2.252 111.095 108.800 0.073 0.000 2.198 355 G HA2 -0.202 3.753 3.960 -0.008 0.000 0.260 355 G HA3 -0.202 3.753 3.960 -0.008 0.000 0.260 355 G C 0.015 174.952 174.900 0.063 0.000 1.025 355 G CA 0.352 45.489 45.100 0.062 0.000 0.769 355 G HN 0.563 nan 8.290 nan 0.000 0.507 356 V N 1.734 121.694 119.914 0.076 0.000 2.364 356 V HA 0.573 4.688 4.120 -0.008 0.000 0.272 356 V C 0.258 176.362 176.094 0.018 0.000 1.036 356 V CA 0.086 62.418 62.300 0.053 0.000 0.880 356 V CB 1.231 33.118 31.823 0.106 0.000 0.991 356 V HN 0.604 nan 8.190 nan 0.000 0.460 357 D N 3.258 123.654 120.400 -0.006 0.000 2.687 357 D HA 0.304 4.940 4.640 -0.008 0.000 0.264 357 D C 1.082 177.358 176.300 -0.039 0.000 1.091 357 D CA -0.911 53.086 54.000 -0.005 0.000 1.123 357 D CB 1.190 42.007 40.800 0.028 0.000 1.407 357 D HN 0.259 nan 8.370 nan 0.000 0.591 358 I N -0.128 120.438 120.570 -0.007 0.000 2.264 358 I HA -0.271 3.895 4.170 -0.008 0.000 0.248 358 I C 1.154 177.238 176.117 -0.056 0.000 1.111 358 I CA 1.318 62.601 61.300 -0.027 0.000 1.382 358 I CB -0.103 37.916 38.000 0.032 0.000 1.060 358 I HN 0.246 nan 8.210 nan 0.000 0.418 359 N N 0.288 118.971 118.700 -0.028 0.000 2.135 359 N HA -0.152 4.584 4.740 -0.008 0.000 0.186 359 N C 1.880 177.359 175.510 -0.052 0.000 1.027 359 N CA 2.208 55.240 53.050 -0.031 0.000 0.849 359 N CB -0.739 37.747 38.487 -0.001 0.000 1.002 359 N HN 0.508 nan 8.380 nan 0.000 0.425 360 T N -0.174 114.351 114.554 -0.048 0.000 2.904 360 T HA -0.033 4.312 4.350 -0.008 0.000 0.267 360 T C 2.101 176.730 174.700 -0.118 0.000 1.059 360 T CA 0.441 62.512 62.100 -0.049 0.000 1.137 360 T CB -0.498 68.365 68.868 -0.009 0.000 0.879 360 T HN 0.059 nan 8.240 nan 0.000 0.467 361 L N 1.352 122.446 121.223 -0.215 0.000 1.989 361 L HA -0.123 4.213 4.340 -0.008 0.000 0.211 361 L C 2.801 179.444 176.870 -0.378 0.000 1.071 361 L CA 2.284 56.848 54.840 -0.459 0.000 0.749 361 L CB -0.898 40.863 42.059 -0.496 0.000 0.890 361 L HN 0.287 nan 8.230 nan 0.000 0.431 362 Q N 0.159 119.810 119.800 -0.249 0.000 2.061 362 Q HA -0.276 4.059 4.340 -0.008 0.000 0.204 362 Q C 2.043 177.916 176.000 -0.211 0.000 0.984 362 Q CA 2.445 58.114 55.803 -0.223 0.000 0.846 362 Q CB -0.359 28.311 28.738 -0.113 0.000 0.902 362 Q HN 0.679 nan 8.270 nan 0.000 0.421 363 E N -0.327 119.798 120.200 -0.124 0.000 2.077 363 E HA -0.161 4.184 4.350 -0.008 0.000 0.193 363 E C 2.059 178.623 176.600 -0.061 0.000 0.989 363 E CA 1.435 57.794 56.400 -0.068 0.000 0.800 363 E CB -0.194 29.490 29.700 -0.027 0.000 0.746 363 E HN 0.461 nan 8.360 nan 0.000 0.452 364 I N 0.766 121.303 120.570 -0.055 0.000 2.202 364 I HA -0.232 3.933 4.170 -0.008 0.000 0.242 364 I C 2.598 178.719 176.117 0.007 0.000 1.091 364 I CA 0.950 62.271 61.300 0.035 0.000 1.368 364 I CB -0.414 37.700 38.000 0.191 0.000 1.058 364 I HN 0.086 nan 8.210 nan 0.000 0.410 365 V N -0.860 118.976 119.914 -0.130 0.000 2.427 365 V HA -0.220 3.896 4.120 -0.008 0.000 0.248 365 V C 2.362 178.243 176.094 -0.355 0.000 1.051 365 V CA 2.040 64.191 62.300 -0.249 0.000 1.048 365 V CB -0.847 30.693 31.823 -0.472 0.000 0.666 365 V HN 0.399 nan 8.190 nan 0.000 0.456 366 E N 2.213 122.165 120.200 -0.414 0.000 2.072 366 E HA -0.004 4.342 4.350 -0.008 0.000 0.191 366 E C 2.167 178.811 176.600 0.073 0.000 0.985 366 E CA 1.892 58.244 56.400 -0.080 0.000 0.801 366 E CB -1.059 28.632 29.700 -0.015 0.000 0.750 366 E HN 0.561 nan 8.360 nan 0.000 0.452 367 G N 0.239 109.065 108.800 0.044 0.000 2.408 367 G HA2 -0.241 3.714 3.960 -0.008 0.000 0.217 367 G HA3 -0.241 3.714 3.960 -0.008 0.000 0.217 367 G C 1.649 176.640 174.900 0.152 0.000 1.150 367 G CA 1.003 46.158 45.100 0.093 0.000 0.776 367 G HN 0.254 nan 8.290 nan 0.000 0.542 368 M N 0.047 119.740 119.600 0.156 0.000 2.086 368 M HA -0.008 4.468 4.480 -0.008 0.000 0.261 368 M C 2.536 179.033 176.300 0.328 0.000 1.067 368 M CA 1.498 56.951 55.300 0.255 0.000 1.116 368 M CB -0.231 32.493 32.600 0.205 0.000 1.348 368 M HN 0.173 nan 8.290 nan 0.000 0.407 369 K N 0.492 121.059 120.400 0.279 0.000 2.063 369 K HA -0.225 4.090 4.320 -0.008 0.000 0.208 369 K C 1.858 178.666 176.600 0.348 0.000 1.048 369 K CA 1.658 58.159 56.287 0.357 0.000 0.928 369 K CB -0.071 32.647 32.500 0.364 0.000 0.713 369 K HN 0.446 nan 8.250 nan 0.000 0.442 370 Q N -0.103 119.843 119.800 0.243 0.000 2.170 370 Q HA -0.082 4.253 4.340 -0.008 0.000 0.203 370 Q C 1.281 177.369 176.000 0.146 0.000 0.976 370 Q CA 0.997 56.904 55.803 0.173 0.000 0.858 370 Q CB 0.178 28.998 28.738 0.136 0.000 0.907 370 Q HN 0.084 nan 8.270 nan 0.000 0.433 371 K N -0.072 120.446 120.400 0.197 0.000 2.437 371 K HA 0.114 4.430 4.320 -0.008 0.000 0.198 371 K C 0.048 176.684 176.600 0.060 0.000 1.024 371 K CA -0.005 56.390 56.287 0.179 0.000 1.148 371 K CB 0.597 33.292 32.500 0.325 0.000 0.860 371 K HN 0.213 nan 8.250 nan 0.000 0.515 372 M N -1.260 118.401 119.600 0.102 0.000 2.653 372 M HA -0.201 4.274 4.480 -0.008 0.000 0.203 372 M C -1.165 175.142 176.300 0.011 0.000 0.502 372 M CA 0.837 56.130 55.300 -0.012 0.000 0.601 372 M CB -2.585 29.838 32.600 -0.295 0.000 2.228 372 M HN 0.169 nan 8.290 nan 0.000 0.711 373 W N 0.386 121.854 121.300 0.280 0.000 2.391 373 W HA 0.566 5.221 4.660 -0.008 0.000 0.311 373 W C 0.955 177.586 176.519 0.186 0.000 1.087 373 W CA -0.375 57.088 57.345 0.196 0.000 1.209 373 W CB 1.178 30.701 29.460 0.106 0.000 1.273 373 W HN 0.220 nan 8.180 nan 0.000 0.482 374 S N 3.157 119.087 115.700 0.382 0.000 2.572 374 S HA 0.058 4.523 4.470 -0.008 0.000 0.279 374 S C 1.212 175.899 174.600 0.144 0.000 1.341 374 S CA -0.461 57.839 58.200 0.166 0.000 1.043 374 S CB 0.425 63.710 63.200 0.142 0.000 0.887 374 S HN 0.405 nan 8.310 nan 0.000 0.516 375 I N 3.806 124.420 120.570 0.073 0.000 3.001 375 I HA -0.046 4.119 4.170 -0.008 0.000 0.268 375 I C 2.040 178.196 176.117 0.064 0.000 1.267 375 I CA 0.946 62.301 61.300 0.092 0.000 1.472 375 I CB -1.640 36.435 38.000 0.124 0.000 1.089 375 I HN 0.752 nan 8.210 nan 0.000 0.468 376 E N 1.098 121.329 120.200 0.051 0.000 2.160 376 E HA -0.211 4.134 4.350 -0.008 0.000 0.195 376 E C 1.702 178.301 176.600 -0.001 0.000 0.991 376 E CA 0.965 57.383 56.400 0.030 0.000 0.810 376 E CB -0.095 29.623 29.700 0.029 0.000 0.742 376 E HN 0.531 nan 8.360 nan 0.000 0.466 377 N N 0.263 118.968 118.700 0.010 0.000 2.309 377 N HA -0.057 4.678 4.740 -0.008 0.000 0.182 377 N C 0.453 175.883 175.510 -0.134 0.000 1.018 377 N CA 0.632 53.654 53.050 -0.048 0.000 0.876 377 N CB 0.245 38.731 38.487 -0.002 0.000 0.972 377 N HN 0.123 nan 8.380 nan 0.000 0.434 378 I N 0.046 120.533 120.570 -0.138 0.000 2.530 378 I HA 0.482 4.647 4.170 -0.008 0.000 0.297 378 I C -0.873 175.079 176.117 -0.275 0.000 1.011 378 I CA -0.748 60.382 61.300 -0.283 0.000 1.107 378 I CB 1.780 39.550 38.000 -0.383 0.000 1.285 378 I HN -0.089 nan 8.210 nan 0.000 0.436 379 A N 5.722 128.316 122.820 -0.376 0.000 2.386 379 A HA 0.864 5.179 4.320 -0.008 0.000 0.308 379 A C -1.568 175.711 177.584 -0.509 0.000 1.128 379 A CA -0.417 51.464 52.037 -0.260 0.000 0.789 379 A CB 0.824 19.763 19.000 -0.101 0.000 1.325 379 A HN 0.526 nan 8.150 nan 0.000 0.437 380 F N -0.414 119.508 119.950 -0.047 0.000 2.561 380 F HA 0.679 5.202 4.527 -0.008 0.000 0.321 380 F C 0.821 176.564 175.800 -0.095 0.000 1.065 380 F CA -0.301 57.668 58.000 -0.052 0.000 0.934 380 F CB 2.699 41.656 39.000 -0.072 0.000 1.215 380 F HN 0.749 nan 8.300 nan 0.000 0.471 381 G N 0.152 109.052 108.800 0.167 0.000 2.542 381 G HA2 0.533 4.488 3.960 -0.008 0.000 0.311 381 G HA3 0.533 4.488 3.960 -0.008 0.000 0.311 381 G C -1.707 173.264 174.900 0.119 0.000 1.298 381 G CA -0.700 44.379 45.100 -0.034 0.000 0.973 381 G HN 0.580 nan 8.290 nan 0.000 0.487 382 S N -0.130 115.548 115.700 -0.036 0.000 2.538 382 S HA 0.752 5.217 4.470 -0.008 0.000 0.288 382 S C 0.691 175.318 174.600 0.044 0.000 1.108 382 S CA 0.143 58.355 58.200 0.020 0.000 0.971 382 S CB 1.516 64.674 63.200 -0.070 0.000 1.041 382 S HN 1.005 nan 8.310 nan 0.000 0.483 383 G N 2.813 111.677 108.800 0.108 0.000 2.754 383 G HA2 0.370 4.326 3.960 -0.008 0.000 0.210 383 G HA3 0.370 4.326 3.960 -0.008 0.000 0.210 383 G C 1.303 176.247 174.900 0.075 0.000 2.092 383 G CA 0.419 45.589 45.100 0.116 0.000 0.766 383 G HN 0.929 nan 8.290 nan 0.000 0.745 384 G N 0.575 109.424 108.800 0.081 0.000 2.469 384 G HA2 0.028 3.983 3.960 -0.008 0.000 0.220 384 G HA3 0.028 3.983 3.960 -0.008 0.000 0.220 384 G C 1.716 176.660 174.900 0.074 0.000 1.136 384 G CA 1.622 46.769 45.100 0.077 0.000 0.759 384 G HN 0.812 nan 8.290 nan 0.000 0.562 385 G N 0.140 108.977 108.800 0.061 0.000 2.471 385 G HA2 -0.010 3.945 3.960 -0.008 0.000 0.219 385 G HA3 -0.010 3.945 3.960 -0.008 0.000 0.219 385 G C 1.641 176.567 174.900 0.043 0.000 1.125 385 G CA 0.957 46.090 45.100 0.055 0.000 0.775 385 G HN 0.427 nan 8.290 nan 0.000 0.548 386 L N -0.706 120.526 121.223 0.016 0.000 2.221 386 L HA 0.419 4.754 4.340 -0.008 0.000 0.202 386 L C 2.193 179.063 176.870 0.001 0.000 1.074 386 L CA 1.179 56.003 54.840 -0.027 0.000 0.795 386 L CB 0.075 42.050 42.059 -0.140 0.000 0.960 386 L HN 0.135 nan 8.230 nan 0.000 0.458 387 L N -1.727 119.523 121.223 0.045 0.000 2.749 387 L HA 0.226 4.561 4.340 -0.008 0.000 0.242 387 L C 1.760 178.775 176.870 0.242 0.000 1.103 387 L CA 0.071 54.983 54.840 0.120 0.000 0.906 387 L CB 0.309 42.425 42.059 0.095 0.000 1.228 387 L HN 0.273 nan 8.230 nan 0.000 0.517 388 Q N 0.810 120.713 119.800 0.172 0.000 2.581 388 Q HA 0.074 4.409 4.340 -0.008 0.000 0.222 388 Q C 1.158 177.265 176.000 0.178 0.000 0.904 388 Q CA 0.827 56.730 55.803 0.167 0.000 0.923 388 Q CB 0.490 29.293 28.738 0.109 0.000 1.117 388 Q HN 0.013 nan 8.270 nan 0.000 0.618 389 K N 1.133 121.618 120.400 0.141 0.000 2.715 389 K HA 0.241 4.556 4.320 -0.008 0.000 0.248 389 K C -1.125 175.564 176.600 0.149 0.000 1.276 389 K CA 0.032 56.395 56.287 0.126 0.000 1.209 389 K CB -0.716 31.838 32.500 0.091 0.000 1.509 389 K HN 0.166 nan 8.250 nan 0.000 0.261 390 L N 0.512 121.871 121.223 0.226 0.000 2.445 390 L HA 0.392 4.727 4.340 -0.008 0.000 0.262 390 L C -0.147 176.936 176.870 0.355 0.000 0.974 390 L CA -0.899 54.104 54.840 0.272 0.000 0.822 390 L CB 2.355 44.608 42.059 0.324 0.000 1.339 390 L HN 0.227 nan 8.230 nan 0.000 0.409 391 T N -2.584 112.046 114.554 0.126 0.000 2.916 391 T HA 0.394 4.740 4.350 -0.008 0.000 0.292 391 T C 0.638 174.933 174.700 -0.676 0.000 1.064 391 T CA -0.815 61.127 62.100 -0.264 0.000 1.011 391 T CB 2.222 70.974 68.868 -0.193 0.000 1.152 391 T HN 0.634 nan 8.240 nan 0.000 0.510 392 R N 0.223 119.943 120.500 -1.300 0.000 2.152 392 R HA -0.106 4.230 4.340 -0.008 0.000 0.232 392 R C 1.066 177.125 176.300 -0.402 0.000 1.117 392 R CA 2.053 57.492 56.100 -1.102 0.000 0.981 392 R CB -0.327 29.279 30.300 -1.156 0.000 0.870 392 R HN 0.832 nan 8.270 nan 0.000 0.451 393 D N -0.371 119.847 120.400 -0.303 0.000 2.339 393 D HA -0.104 4.532 4.640 -0.008 0.000 0.217 393 D C 1.632 177.871 176.300 -0.102 0.000 1.050 393 D CA -0.027 53.875 54.000 -0.163 0.000 0.856 393 D CB -0.034 40.687 40.800 -0.131 0.000 0.922 393 D HN 0.211 nan 8.370 nan 0.000 0.518 394 L N -0.070 121.091 121.223 -0.104 0.000 2.056 394 L HA 0.056 4.391 4.340 -0.008 0.000 0.207 394 L C 1.609 178.421 176.870 -0.096 0.000 1.078 394 L CA 1.608 56.395 54.840 -0.089 0.000 0.749 394 L CB -0.153 41.837 42.059 -0.115 0.000 0.901 394 L HN 0.083 nan 8.230 nan 0.000 0.433 395 L N -0.620 120.561 121.223 -0.069 0.000 2.700 395 L HA 0.235 4.570 4.340 -0.008 0.000 0.234 395 L C 0.174 177.035 176.870 -0.015 0.000 1.156 395 L CA -0.087 54.738 54.840 -0.025 0.000 0.946 395 L CB -0.638 41.434 42.059 0.022 0.000 1.216 395 L HN 0.337 nan 8.230 nan 0.000 0.493 396 N N -0.524 118.147 118.700 -0.047 0.000 2.725 396 N HA -0.178 4.558 4.740 -0.008 0.000 0.251 396 N C -0.160 175.274 175.510 -0.126 0.000 1.031 396 N CA -0.121 52.884 53.050 -0.075 0.000 0.720 396 N CB -1.252 37.205 38.487 -0.051 0.000 0.930 396 N HN 0.320 nan 8.380 nan 0.000 0.543 397 C N 1.596 120.822 119.300 -0.123 0.000 2.648 397 C HA 0.408 4.863 4.460 -0.008 0.000 0.415 397 C C 1.072 175.859 174.990 -0.339 0.000 1.366 397 C CA -0.334 58.540 59.018 -0.240 0.000 1.756 397 C CB -0.608 27.199 27.740 0.111 0.000 2.549 397 C HN 0.488 nan 8.230 nan 0.000 0.597 398 S N 2.617 117.948 115.700 -0.615 0.000 2.536 398 S HA 0.730 5.195 4.470 -0.008 0.000 0.271 398 S C -1.158 173.148 174.600 -0.489 0.000 1.134 398 S CA -0.591 57.371 58.200 -0.397 0.000 0.897 398 S CB 1.230 64.265 63.200 -0.275 0.000 1.094 398 S HN 0.590 nan 8.310 nan 0.000 0.473 399 F N 2.261 122.020 119.950 -0.319 0.000 2.427 399 F HA 0.719 5.241 4.527 -0.009 0.000 0.348 399 F C -0.556 175.113 175.800 -0.217 0.000 1.125 399 F CA -0.247 57.612 58.000 -0.236 0.000 0.989 399 F CB 1.003 40.033 39.000 0.051 0.000 1.165 399 F HN 0.511 nan 8.300 nan 0.000 0.442 400 K N 5.188 125.254 120.400 -0.557 0.000 2.502 400 K HA 0.280 4.595 4.320 -0.008 0.000 0.257 400 K C -1.357 175.156 176.600 -0.144 0.000 0.938 400 K CA -0.645 55.498 56.287 -0.241 0.000 0.819 400 K CB 1.788 34.176 32.500 -0.188 0.000 1.333 400 K HN 0.695 nan 8.250 nan 0.000 0.434 401 C N 2.204 121.549 119.300 0.074 0.000 2.585 401 C HA 0.244 4.699 4.460 -0.008 0.000 0.406 401 C C 1.630 176.781 174.990 0.268 0.000 1.312 401 C CA 0.362 59.484 59.018 0.174 0.000 1.924 401 C CB -1.002 26.863 27.740 0.208 0.000 2.578 401 C HN 0.876 nan 8.230 nan 0.000 0.580 402 S N 3.286 119.204 115.700 0.364 0.000 2.604 402 S HA 0.239 4.705 4.470 -0.008 0.000 0.235 402 S C -0.355 174.481 174.600 0.392 0.000 1.043 402 S CA -0.158 58.267 58.200 0.375 0.000 0.997 402 S CB 0.095 63.492 63.200 0.328 0.000 0.956 402 S HN 0.940 nan 8.310 nan 0.000 0.535 403 Y N 1.433 121.878 120.300 0.242 0.000 2.436 403 Y HA 0.550 5.095 4.550 -0.008 0.000 0.327 403 Y C -1.350 174.627 175.900 0.128 0.000 1.138 403 Y CA -1.123 57.048 58.100 0.117 0.000 1.042 403 Y CB 1.837 40.251 38.460 -0.076 0.000 1.302 403 Y HN 0.312 nan 8.280 nan 0.000 0.439 404 V N 2.830 122.467 119.914 -0.462 0.000 3.040 404 V HA 0.908 5.024 4.120 -0.008 0.000 0.312 404 V C -1.724 174.001 176.094 -0.615 0.000 1.115 404 V CA -1.054 61.017 62.300 -0.381 0.000 0.998 404 V CB 1.704 33.443 31.823 -0.140 0.000 1.042 404 V HN 0.564 nan 8.190 nan 0.000 0.433 405 V N 2.018 121.719 119.914 -0.354 0.000 2.378 405 V HA 0.657 4.772 4.120 -0.008 0.000 0.288 405 V C 0.025 176.022 176.094 -0.161 0.000 1.016 405 V CA 0.032 62.179 62.300 -0.255 0.000 0.840 405 V CB 1.422 33.157 31.823 -0.146 0.000 0.994 405 V HN 1.111 nan 8.190 nan 0.000 0.431 406 T N 3.502 117.974 114.554 -0.137 0.000 2.848 406 T HA 0.382 4.727 4.350 -0.008 0.000 0.285 406 T C 0.292 174.945 174.700 -0.079 0.000 0.995 406 T CA -0.555 61.482 62.100 -0.106 0.000 0.970 406 T CB 0.864 69.679 68.868 -0.089 0.000 0.976 406 T HN 0.781 nan 8.240 nan 0.000 0.441 407 N N 1.665 120.323 118.700 -0.071 0.000 2.721 407 N HA -0.225 4.510 4.740 -0.008 0.000 0.249 407 N C 1.077 176.562 175.510 -0.041 0.000 1.072 407 N CA 0.773 53.792 53.050 -0.051 0.000 0.710 407 N CB -1.019 37.444 38.487 -0.041 0.000 0.993 407 N HN 1.226 nan 8.380 nan 0.000 0.547 408 G N -1.989 106.785 108.800 -0.044 0.000 2.189 408 G HA2 -0.321 3.634 3.960 -0.008 0.000 0.267 408 G HA3 -0.321 3.634 3.960 -0.008 0.000 0.267 408 G C -0.137 174.748 174.900 -0.025 0.000 0.975 408 G CA 0.521 45.603 45.100 -0.029 0.000 0.644 408 G HN 0.310 nan 8.290 nan 0.000 0.537 409 L N 1.346 122.544 121.223 -0.041 0.000 2.287 409 L HA 0.678 5.014 4.340 -0.008 0.000 0.287 409 L C 1.105 177.929 176.870 -0.076 0.000 1.022 409 L CA 0.015 54.833 54.840 -0.036 0.000 0.814 409 L CB 1.530 43.572 42.059 -0.029 0.000 1.217 409 L HN 0.236 nan 8.230 nan 0.000 0.420 410 G N 4.837 113.613 108.800 -0.040 0.000 2.378 410 G HA2 0.486 4.441 3.960 -0.008 0.000 0.255 410 G HA3 0.486 4.441 3.960 -0.008 0.000 0.255 410 G C -0.393 174.452 174.900 -0.092 0.000 1.270 410 G CA -0.126 44.904 45.100 -0.116 0.000 0.876 410 G HN 0.513 nan 8.290 nan 0.000 0.521 411 I N 2.172 122.576 120.570 -0.276 0.000 2.466 411 I HA 0.161 4.326 4.170 -0.008 0.000 0.289 411 I C -0.783 175.337 176.117 0.005 0.000 1.026 411 I CA -1.099 60.149 61.300 -0.086 0.000 1.078 411 I CB 2.047 39.995 38.000 -0.086 0.000 1.249 411 I HN 0.291 nan 8.210 nan 0.000 0.429 412 N N 5.702 124.493 118.700 0.152 0.000 2.442 412 N HA 0.293 5.028 4.740 -0.008 0.000 0.265 412 N C -0.674 174.991 175.510 0.259 0.000 1.138 412 N CA -0.075 53.115 53.050 0.233 0.000 0.956 412 N CB 1.564 40.161 38.487 0.183 0.000 1.067 412 N HN 0.194 nan 8.380 nan 0.000 0.474 413 V N 3.645 123.727 119.914 0.280 0.000 2.628 413 V HA 0.721 4.836 4.120 -0.008 0.000 0.306 413 V C -0.451 175.871 176.094 0.380 0.000 1.045 413 V CA -0.686 61.763 62.300 0.248 0.000 0.905 413 V CB 0.934 32.850 31.823 0.154 0.000 0.997 413 V HN 0.642 nan 8.190 nan 0.000 0.436 414 F N 2.001 122.002 119.950 0.086 0.000 2.744 414 F HA 0.703 5.225 4.527 -0.008 0.000 0.311 414 F C -1.043 174.796 175.800 0.064 0.000 1.144 414 F CA -1.395 56.656 58.000 0.085 0.000 0.938 414 F CB 1.516 40.557 39.000 0.070 0.000 1.292 414 F HN 0.488 nan 8.300 nan 0.000 0.444 415 K N 0.560 121.033 120.400 0.123 0.000 2.156 415 K HA 0.702 5.018 4.320 -0.008 0.000 0.250 415 K C -1.763 174.963 176.600 0.209 0.000 0.955 415 K CA -0.719 55.583 56.287 0.025 0.000 0.855 415 K CB 2.200 34.718 32.500 0.030 0.000 1.101 415 K HN 0.693 nan 8.250 nan 0.000 0.434 416 D N 2.388 122.868 120.400 0.135 0.000 2.823 416 D HA 0.278 4.913 4.640 -0.008 0.000 0.255 416 D C -2.567 173.789 176.300 0.093 0.000 1.257 416 D CA -1.286 52.826 54.000 0.186 0.000 0.803 416 D CB 0.751 41.758 40.800 0.346 0.000 1.384 416 D HN 0.390 nan 8.370 nan 0.000 0.541 417 P HA 0.046 nan 4.420 nan 0.000 0.267 417 P C 1.171 178.492 177.300 0.036 0.000 1.205 417 P CA -0.471 62.650 63.100 0.035 0.000 0.765 417 P CB 1.572 33.287 31.700 0.025 0.000 0.828 418 V N 3.161 123.092 119.914 0.028 0.000 2.392 418 V HA -0.248 3.867 4.120 -0.008 0.000 0.249 418 V C 1.782 177.889 176.094 0.022 0.000 1.059 418 V CA 2.694 65.010 62.300 0.027 0.000 1.051 418 V CB -0.935 30.901 31.823 0.021 0.000 0.658 418 V HN 0.694 nan 8.190 nan 0.000 0.455 419 A N -1.371 121.460 122.820 0.017 0.000 2.275 419 A HA 0.153 4.469 4.320 -0.008 0.000 0.212 419 A C 0.800 178.392 177.584 0.014 0.000 1.201 419 A CA 0.782 52.827 52.037 0.013 0.000 0.843 419 A CB -0.061 18.944 19.000 0.009 0.000 0.873 419 A HN 0.565 nan 8.150 nan 0.000 0.492 420 D N -0.969 119.442 120.400 0.018 0.000 2.381 420 D HA 0.222 4.857 4.640 -0.008 0.000 0.245 420 D C -2.280 174.036 176.300 0.026 0.000 1.297 420 D CA -1.391 52.620 54.000 0.018 0.000 0.931 420 D CB 1.383 42.191 40.800 0.012 0.000 1.334 420 D HN -0.024 nan 8.370 nan 0.000 0.535 421 P HA -0.078 nan 4.420 nan 0.000 0.225 421 P C 0.857 178.175 177.300 0.031 0.000 1.148 421 P CA 0.466 63.586 63.100 0.034 0.000 0.779 421 P CB 0.505 32.221 31.700 0.028 0.000 0.780 422 N N 0.600 119.314 118.700 0.023 0.000 2.381 422 N HA -0.088 4.647 4.740 -0.008 0.000 0.182 422 N C 1.328 176.850 175.510 0.019 0.000 1.025 422 N CA 0.927 53.988 53.050 0.019 0.000 0.888 422 N CB -0.196 38.298 38.487 0.012 0.000 0.965 422 N HN 0.360 nan 8.380 nan 0.000 0.438 423 K N 0.978 121.393 120.400 0.024 0.000 2.444 423 K HA 0.049 4.364 4.320 -0.008 0.000 0.193 423 K C 0.474 177.107 176.600 0.055 0.000 1.024 423 K CA -0.311 55.991 56.287 0.025 0.000 1.077 423 K CB 0.280 32.790 32.500 0.018 0.000 0.833 423 K HN 0.045 nan 8.250 nan 0.000 0.517 424 R N 2.095 122.638 120.500 0.071 0.000 2.522 424 R HA -0.023 4.313 4.340 -0.008 0.000 0.284 424 R C -0.194 176.179 176.300 0.122 0.000 1.032 424 R CA 0.221 56.388 56.100 0.113 0.000 1.049 424 R CB 0.405 30.758 30.300 0.088 0.000 0.956 424 R HN 0.001 nan 8.270 nan 0.000 0.422 425 S N 2.771 118.585 115.700 0.190 0.000 2.718 425 S HA 0.465 4.930 4.470 -0.008 0.000 0.300 425 S C -0.588 174.135 174.600 0.205 0.000 1.117 425 S CA -0.996 57.344 58.200 0.234 0.000 1.002 425 S CB 1.268 64.626 63.200 0.263 0.000 1.092 425 S HN 0.647 nan 8.310 nan 0.000 0.542 426 K N 0.660 121.179 120.400 0.198 0.000 2.202 426 K HA 0.314 4.630 4.320 -0.008 0.000 0.264 426 K C -0.331 176.267 176.600 -0.003 0.000 1.010 426 K CA -0.376 55.881 56.287 -0.049 0.000 0.940 426 K CB 0.518 32.800 32.500 -0.364 0.000 0.983 426 K HN 0.480 nan 8.250 nan 0.000 0.475 427 K N 1.162 121.523 120.400 -0.065 0.000 2.206 427 K HA 0.354 4.669 4.320 -0.008 0.000 0.264 427 K C 0.134 176.732 176.600 -0.004 0.000 0.967 427 K CA -0.307 55.983 56.287 0.006 0.000 0.844 427 K CB 1.665 34.108 32.500 -0.094 0.000 1.099 427 K HN 0.865 nan 8.250 nan 0.000 0.441 428 G N 2.343 111.200 108.800 0.094 0.000 2.693 428 G HA2 -0.286 3.670 3.960 -0.008 0.000 0.226 428 G HA3 -0.286 3.670 3.960 -0.008 0.000 0.226 428 G C -0.774 174.022 174.900 -0.174 0.000 1.354 428 G CA -0.738 44.383 45.100 0.035 0.000 0.873 428 G HN 0.641 nan 8.290 nan 0.000 0.562 429 R N -0.403 119.776 120.500 -0.535 0.000 2.442 429 R HA 0.462 4.797 4.340 -0.008 0.000 0.291 429 R C 0.366 176.499 176.300 -0.278 0.000 1.069 429 R CA -0.035 55.638 56.100 -0.712 0.000 1.022 429 R CB 0.215 29.963 30.300 -0.919 0.000 0.976 429 R HN 0.426 nan 8.270 nan 0.000 0.443 430 L N 1.468 122.651 121.223 -0.068 0.000 2.330 430 L HA 0.565 4.900 4.340 -0.008 0.000 0.271 430 L C 0.021 176.887 176.870 -0.007 0.000 1.013 430 L CA -0.725 54.087 54.840 -0.047 0.000 0.816 430 L CB 1.996 43.992 42.059 -0.104 0.000 1.287 430 L HN 0.734 nan 8.230 nan 0.000 0.435 431 S N 1.332 117.017 115.700 -0.025 0.000 2.550 431 S HA 0.688 5.153 4.470 -0.008 0.000 0.270 431 S C -1.296 173.244 174.600 -0.099 0.000 1.145 431 S CA -0.809 57.357 58.200 -0.056 0.000 0.852 431 S CB 2.175 65.387 63.200 0.020 0.000 1.119 431 S HN 0.436 nan 8.310 nan 0.000 0.465 432 L N 1.941 123.017 121.223 -0.245 0.000 2.307 432 L HA 0.758 5.093 4.340 -0.008 0.000 0.284 432 L C -1.225 175.430 176.870 -0.357 0.000 1.023 432 L CA 0.147 54.891 54.840 -0.160 0.000 0.810 432 L CB 1.050 43.073 42.059 -0.061 0.000 1.231 432 L HN 0.967 nan 8.230 nan 0.000 0.423 433 H N 2.030 121.103 119.070 0.006 0.000 2.894 433 H HA 0.649 5.200 4.556 -0.008 0.000 0.368 433 H C -0.956 174.386 175.328 0.024 0.000 1.181 433 H CA -0.924 55.120 56.048 -0.008 0.000 1.146 433 H CB 1.373 31.041 29.762 -0.157 0.000 1.839 433 H HN 0.420 nan 8.280 nan 0.000 0.557 434 R N 0.796 121.395 120.500 0.165 0.000 2.297 434 R HA 0.280 4.615 4.340 -0.008 0.000 0.308 434 R C -0.262 176.151 176.300 0.188 0.000 1.029 434 R CA -0.386 55.732 56.100 0.030 0.000 0.929 434 R CB 0.551 30.837 30.300 -0.024 0.000 1.046 434 R HN 0.836 nan 8.270 nan 0.000 0.461 435 T N 1.274 115.903 114.554 0.125 0.000 2.828 435 T HA 0.261 4.606 4.350 -0.008 0.000 0.290 435 T C -1.575 173.177 174.700 0.088 0.000 1.019 435 T CA -1.485 60.752 62.100 0.228 0.000 1.031 435 T CB 1.021 69.984 68.868 0.158 0.000 1.001 435 T HN 0.380 nan 8.240 nan 0.000 0.531 436 P HA 0.020 nan 4.420 nan 0.000 0.218 436 P C 1.273 178.563 177.300 -0.015 0.000 1.148 436 P CA 1.175 64.265 63.100 -0.018 0.000 0.822 436 P CB -0.257 31.413 31.700 -0.051 0.000 0.784 437 A N -1.263 121.554 122.820 -0.005 0.000 2.238 437 A HA 0.425 4.740 4.320 -0.008 0.000 0.208 437 A C 1.647 179.210 177.584 -0.035 0.000 1.177 437 A CA 0.815 52.843 52.037 -0.015 0.000 0.804 437 A CB -1.165 17.832 19.000 -0.005 0.000 0.823 437 A HN 0.256 nan 8.150 nan 0.000 0.482 438 G N -0.787 107.982 108.800 -0.051 0.000 2.141 438 G HA2 -0.252 3.704 3.960 -0.008 0.000 0.231 438 G HA3 -0.252 3.704 3.960 -0.008 0.000 0.231 438 G C 0.022 174.807 174.900 -0.191 0.000 0.984 438 G CA 0.233 45.268 45.100 -0.108 0.000 0.660 438 G HN 0.645 nan 8.290 nan 0.000 0.525 439 N N -0.954 117.665 118.700 -0.135 0.000 2.476 439 N HA 0.717 5.453 4.740 -0.008 0.000 0.287 439 N C -0.321 175.047 175.510 -0.236 0.000 1.262 439 N CA -0.545 52.419 53.050 -0.143 0.000 0.980 439 N CB 0.463 38.953 38.487 0.005 0.000 1.163 439 N HN 0.065 nan 8.380 nan 0.000 0.592 440 F N 0.130 120.105 119.950 0.042 0.000 2.397 440 F HA 0.578 5.100 4.527 -0.007 0.000 0.331 440 F C 0.185 175.990 175.800 0.009 0.000 1.090 440 F CA -0.653 57.369 58.000 0.036 0.000 1.065 440 F CB 1.251 40.275 39.000 0.041 0.000 1.184 440 F HN -0.038 nan 8.300 nan 0.000 0.499 441 V N 1.889 121.898 119.914 0.158 0.000 2.808 441 V HA 0.498 4.613 4.120 -0.008 0.000 0.308 441 V C -0.870 175.219 176.094 -0.010 0.000 1.099 441 V CA -0.314 61.995 62.300 0.015 0.000 0.920 441 V CB 2.385 34.126 31.823 -0.137 0.000 1.014 441 V HN 0.768 nan 8.190 nan 0.000 0.425 442 T N 7.842 122.379 114.554 -0.028 0.000 2.733 442 T HA 0.533 4.879 4.350 -0.008 0.000 0.294 442 T C -0.246 174.404 174.700 -0.083 0.000 0.956 442 T CA -0.084 61.989 62.100 -0.045 0.000 0.987 442 T CB 0.504 69.335 68.868 -0.062 0.000 0.920 442 T HN 0.495 nan 8.240 nan 0.000 0.470 443 L N 3.780 124.968 121.223 -0.059 0.000 2.312 443 L HA 0.471 4.807 4.340 -0.008 0.000 0.281 443 L C 0.728 177.544 176.870 -0.089 0.000 1.070 443 L CA -0.551 54.233 54.840 -0.093 0.000 0.805 443 L CB 1.019 43.011 42.059 -0.111 0.000 1.174 443 L HN 0.590 nan 8.230 nan 0.000 0.434 444 E N 1.473 121.611 120.200 -0.103 0.000 2.264 444 E HA 0.287 4.632 4.350 -0.008 0.000 0.260 444 E C -0.502 176.033 176.600 -0.107 0.000 0.961 444 E CA -0.779 55.551 56.400 -0.117 0.000 0.834 444 E CB 1.220 30.847 29.700 -0.122 0.000 1.230 444 E HN 0.494 nan 8.360 nan 0.000 0.412 445 E N -0.249 119.882 120.200 -0.114 0.000 2.586 445 E HA -0.290 4.056 4.350 -0.008 0.000 0.259 445 E C 0.483 177.006 176.600 -0.128 0.000 1.107 445 E CA 0.279 56.617 56.400 -0.102 0.000 0.754 445 E CB -1.779 27.883 29.700 -0.064 0.000 1.335 445 E HN 1.002 nan 8.360 nan 0.000 0.411 446 G N 0.059 108.754 108.800 -0.174 0.000 2.168 446 G HA2 -0.431 3.525 3.960 -0.008 0.000 0.263 446 G HA3 -0.431 3.525 3.960 -0.008 0.000 0.263 446 G C 0.748 175.590 174.900 -0.096 0.000 0.977 446 G CA 0.918 45.916 45.100 -0.170 0.000 0.659 446 G HN 0.395 nan 8.290 nan 0.000 0.533 447 K N 0.130 120.483 120.400 -0.078 0.000 2.442 447 K HA 0.055 4.371 4.320 -0.008 0.000 0.198 447 K C 2.624 179.192 176.600 -0.053 0.000 1.044 447 K CA 0.818 57.071 56.287 -0.057 0.000 0.948 447 K CB -0.293 32.174 32.500 -0.054 0.000 0.762 447 K HN 0.410 nan 8.250 nan 0.000 0.472 448 G N 1.341 110.122 108.800 -0.031 0.000 2.470 448 G HA2 -0.223 3.732 3.960 -0.008 0.000 0.220 448 G HA3 -0.223 3.732 3.960 -0.008 0.000 0.220 448 G C 0.828 175.752 174.900 0.039 0.000 1.121 448 G CA 0.635 45.751 45.100 0.027 0.000 0.766 448 G HN 0.220 nan 8.290 nan 0.000 0.553 449 D N 0.545 120.946 120.400 0.002 0.000 2.264 449 D HA -0.045 4.591 4.640 -0.008 0.000 0.208 449 D C 2.453 178.751 176.300 -0.003 0.000 0.966 449 D CA 0.320 54.318 54.000 -0.002 0.000 0.864 449 D CB -0.088 40.696 40.800 -0.028 0.000 0.933 449 D HN 0.331 nan 8.370 nan 0.000 0.499 450 L N 0.354 121.569 121.223 -0.013 0.000 2.376 450 L HA -0.037 4.298 4.340 -0.008 0.000 0.219 450 L C 0.478 177.341 176.870 -0.011 0.000 1.133 450 L CA 0.519 55.350 54.840 -0.015 0.000 0.816 450 L CB -0.418 41.630 42.059 -0.020 0.000 0.933 450 L HN 0.008 nan 8.230 nan 0.000 0.449 451 E N -0.542 119.656 120.200 -0.003 0.000 2.586 451 E HA -0.277 4.069 4.350 -0.008 0.000 0.259 451 E C 0.749 177.339 176.600 -0.017 0.000 1.107 451 E CA 0.572 56.978 56.400 0.010 0.000 0.754 451 E CB -1.239 28.473 29.700 0.020 0.000 1.335 451 E HN 0.631 nan 8.360 nan 0.000 0.411 452 E N -0.880 119.300 120.200 -0.034 0.000 2.285 452 E HA -0.077 4.268 4.350 -0.008 0.000 0.194 452 E C 0.576 177.040 176.600 -0.227 0.000 0.997 452 E CA 0.839 57.174 56.400 -0.108 0.000 0.845 452 E CB 0.157 29.796 29.700 -0.103 0.000 0.782 452 E HN 0.338 nan 8.360 nan 0.000 0.491 453 Y N -0.017 120.179 120.300 -0.173 0.000 2.612 453 Y HA 0.398 4.944 4.550 -0.007 0.000 0.334 453 Y C 1.413 177.297 175.900 -0.026 0.000 1.227 453 Y CA -0.682 57.336 58.100 -0.137 0.000 1.356 453 Y CB 0.211 38.495 38.460 -0.293 0.000 1.534 453 Y HN -0.159 nan 8.280 nan 0.000 0.576 454 G N -0.531 108.438 108.800 0.281 0.000 2.481 454 G HA2 0.159 4.114 3.960 -0.008 0.000 0.251 454 G HA3 0.159 4.114 3.960 -0.008 0.000 0.251 454 G C -0.593 174.484 174.900 0.294 0.000 1.492 454 G CA -0.506 44.727 45.100 0.221 0.000 1.060 454 G HN 0.346 nan 8.290 nan 0.000 0.553 455 Q N 0.019 119.925 119.800 0.177 0.000 2.368 455 Q HA 0.148 4.483 4.340 -0.008 0.000 0.237 455 Q C -0.381 175.612 176.000 -0.013 0.000 0.987 455 Q CA -0.492 55.379 55.803 0.112 0.000 0.896 455 Q CB 1.074 29.837 28.738 0.041 0.000 1.241 455 Q HN 0.555 nan 8.270 nan 0.000 0.485 456 D N 0.985 121.307 120.400 -0.131 0.000 2.487 456 D HA -0.048 4.587 4.640 -0.008 0.000 0.243 456 D C 0.693 176.824 176.300 -0.281 0.000 1.154 456 D CA 0.355 54.132 54.000 -0.371 0.000 0.876 456 D CB 0.557 41.228 40.800 -0.214 0.000 1.161 456 D HN 0.420 nan 8.370 nan 0.000 0.478 457 L N 2.975 124.031 121.223 -0.279 0.000 2.478 457 L HA -0.003 4.332 4.340 -0.008 0.000 0.223 457 L C 0.703 177.409 176.870 -0.273 0.000 1.140 457 L CA -0.195 54.540 54.840 -0.176 0.000 0.842 457 L CB -0.221 41.859 42.059 0.035 0.000 0.953 457 L HN 0.314 nan 8.230 nan 0.000 0.452 458 L N 0.077 121.156 121.223 -0.239 0.000 2.426 458 L HA 0.101 4.436 4.340 -0.008 0.000 0.271 458 L C 0.306 177.024 176.870 -0.254 0.000 1.169 458 L CA 0.618 55.353 54.840 -0.175 0.000 0.836 458 L CB 0.047 42.052 42.059 -0.089 0.000 1.112 458 L HN 0.029 nan 8.230 nan 0.000 0.465 459 H N 1.106 120.179 119.070 0.005 0.000 2.524 459 H HA 0.273 4.824 4.556 -0.008 0.000 0.353 459 H C -0.457 174.906 175.328 0.059 0.000 1.136 459 H CA -0.763 55.309 56.048 0.039 0.000 1.193 459 H CB 1.407 31.212 29.762 0.071 0.000 1.558 459 H HN 0.443 nan 8.280 nan 0.000 0.515 460 T N 2.745 117.399 114.554 0.167 0.000 2.761 460 T HA 0.050 4.395 4.350 -0.008 0.000 0.287 460 T C 1.669 176.450 174.700 0.136 0.000 0.931 460 T CA -0.154 62.026 62.100 0.134 0.000 1.164 460 T CB -0.009 68.913 68.868 0.089 0.000 0.876 460 T HN 0.519 nan 8.240 nan 0.000 0.534 461 V N 1.334 121.343 119.914 0.159 0.000 3.621 461 V HA 0.541 4.656 4.120 -0.008 0.000 0.263 461 V C 0.048 176.256 176.094 0.190 0.000 1.272 461 V CA -0.024 62.366 62.300 0.150 0.000 1.080 461 V CB -0.405 31.525 31.823 0.178 0.000 0.816 461 V HN 0.641 nan 8.190 nan 0.000 0.451 462 F N 0.995 120.958 119.950 0.021 0.000 2.588 462 F HA 0.738 5.261 4.527 -0.007 0.000 0.314 462 F C -0.816 174.993 175.800 0.014 0.000 1.134 462 F CA -0.823 57.182 58.000 0.007 0.000 0.961 462 F CB 1.761 40.759 39.000 -0.003 0.000 1.239 462 F HN -0.061 nan 8.300 nan 0.000 0.448 463 K N 4.916 125.035 120.400 -0.468 0.000 2.588 463 K HA 0.290 4.605 4.320 -0.008 0.000 0.250 463 K C -0.931 175.404 176.600 -0.441 0.000 0.972 463 K CA -0.577 55.539 56.287 -0.285 0.000 0.821 463 K CB 0.962 33.394 32.500 -0.114 0.000 1.249 463 K HN 0.757 nan 8.250 nan 0.000 0.442 464 N N 2.700 121.216 118.700 -0.306 0.000 2.705 464 N HA -0.216 4.519 4.740 -0.008 0.000 0.255 464 N C 0.463 175.844 175.510 -0.216 0.000 1.008 464 N CA 1.705 54.616 53.050 -0.231 0.000 0.742 464 N CB -1.159 37.226 38.487 -0.169 0.000 0.906 464 N HN 1.122 nan 8.380 nan 0.000 0.541 465 G N -1.453 107.121 108.800 -0.377 0.000 2.176 465 G HA2 -0.342 3.613 3.960 -0.008 0.000 0.253 465 G HA3 -0.342 3.613 3.960 -0.008 0.000 0.253 465 G C -0.048 174.682 174.900 -0.284 0.000 0.979 465 G CA 0.807 45.829 45.100 -0.130 0.000 0.641 465 G HN 0.536 nan 8.290 nan 0.000 0.530 466 K N 0.257 120.299 120.400 -0.597 0.000 2.292 466 K HA 0.596 4.911 4.320 -0.008 0.000 0.257 466 K C -0.006 176.343 176.600 -0.418 0.000 0.940 466 K CA -0.921 55.157 56.287 -0.349 0.000 0.811 466 K CB 2.946 35.328 32.500 -0.196 0.000 1.120 466 K HN 0.013 nan 8.250 nan 0.000 0.428 467 V N 3.106 122.938 119.914 -0.136 0.000 2.439 467 V HA -0.019 4.097 4.120 -0.008 0.000 0.271 467 V C 1.298 177.358 176.094 -0.056 0.000 1.040 467 V CA 0.334 62.625 62.300 -0.015 0.000 1.002 467 V CB 0.502 32.349 31.823 0.040 0.000 1.000 467 V HN 1.024 nan 8.190 nan 0.000 0.477 468 T N 1.183 115.710 114.554 -0.044 0.000 3.022 468 T HA 0.251 4.596 4.350 -0.008 0.000 0.250 468 T C 0.375 175.042 174.700 -0.055 0.000 1.060 468 T CA -0.147 61.922 62.100 -0.052 0.000 1.013 468 T CB 0.225 69.067 68.868 -0.042 0.000 0.982 468 T HN 0.494 nan 8.240 nan 0.000 0.508 469 K N 0.573 120.934 120.400 -0.064 0.000 2.550 469 K HA 0.591 4.907 4.320 -0.008 0.000 0.252 469 K C -1.716 174.744 176.600 -0.233 0.000 0.943 469 K CA -0.392 55.794 56.287 -0.169 0.000 0.806 469 K CB 2.134 34.538 32.500 -0.159 0.000 1.289 469 K HN 0.055 nan 8.250 nan 0.000 0.435 470 S N 1.825 117.294 115.700 -0.383 0.000 2.599 470 S HA 0.621 5.086 4.470 -0.008 0.000 0.287 470 S C -1.753 172.528 174.600 -0.532 0.000 1.105 470 S CA -0.630 57.387 58.200 -0.305 0.000 0.899 470 S CB 0.822 63.946 63.200 -0.127 0.000 1.100 470 S HN 0.451 nan 8.310 nan 0.000 0.482 471 Y N 0.906 121.268 120.300 0.104 0.000 2.442 471 Y HA 0.484 5.029 4.550 -0.008 0.000 0.344 471 Y C 0.589 176.636 175.900 0.246 0.000 0.976 471 Y CA -0.897 57.291 58.100 0.147 0.000 1.040 471 Y CB 1.609 40.165 38.460 0.160 0.000 1.228 471 Y HN 0.715 nan 8.280 nan 0.000 0.451 472 S N 1.467 117.361 115.700 0.324 0.000 2.614 472 S HA 0.141 4.606 4.470 -0.008 0.000 0.265 472 S C 0.632 175.439 174.600 0.345 0.000 1.303 472 S CA -0.425 57.963 58.200 0.313 0.000 1.000 472 S CB 0.494 63.812 63.200 0.196 0.000 0.935 472 S HN 0.657 nan 8.310 nan 0.000 0.551 473 F N 1.099 121.155 119.950 0.177 0.000 2.293 473 F HA -0.011 4.511 4.527 -0.008 0.000 0.300 473 F C 1.678 177.471 175.800 -0.013 0.000 1.086 473 F CA 1.378 59.396 58.000 0.029 0.000 1.375 473 F CB -0.326 38.669 39.000 -0.008 0.000 1.045 473 F HN 0.626 nan 8.300 nan 0.000 0.516 474 D N 0.122 120.582 120.400 0.101 0.000 2.117 474 D HA -0.159 4.476 4.640 -0.008 0.000 0.198 474 D C 2.100 178.380 176.300 -0.034 0.000 0.982 474 D CA 1.339 55.347 54.000 0.014 0.000 0.828 474 D CB -0.377 40.460 40.800 0.062 0.000 0.967 474 D HN 0.426 nan 8.370 nan 0.000 0.464 475 E N 0.431 120.651 120.200 0.033 0.000 2.051 475 E HA -0.129 4.216 4.350 -0.008 0.000 0.192 475 E C 2.386 178.970 176.600 -0.027 0.000 0.991 475 E CA 0.538 56.971 56.400 0.056 0.000 0.799 475 E CB -0.078 29.730 29.700 0.180 0.000 0.748 475 E HN 0.294 nan 8.360 nan 0.000 0.449 476 I N 0.805 121.309 120.570 -0.111 0.000 2.208 476 I HA -0.293 3.872 4.170 -0.008 0.000 0.245 476 I C 2.551 178.455 176.117 -0.354 0.000 1.097 476 I CA 1.213 62.365 61.300 -0.248 0.000 1.363 476 I CB -0.224 37.537 38.000 -0.398 0.000 1.051 476 I HN 0.027 nan 8.210 nan 0.000 0.413 477 R N 0.724 120.947 120.500 -0.461 0.000 2.081 477 R HA -0.162 4.173 4.340 -0.008 0.000 0.235 477 R C 2.315 178.471 176.300 -0.240 0.000 1.131 477 R CA 1.329 57.186 56.100 -0.405 0.000 0.960 477 R CB -0.206 29.863 30.300 -0.386 0.000 0.856 477 R HN 0.342 nan 8.270 nan 0.000 0.436 478 K N 0.147 120.451 120.400 -0.161 0.000 2.057 478 K HA -0.079 4.236 4.320 -0.008 0.000 0.207 478 K C 1.787 178.330 176.600 -0.095 0.000 1.049 478 K CA 1.292 57.519 56.287 -0.101 0.000 0.931 478 K CB -0.077 32.394 32.500 -0.048 0.000 0.714 478 K HN 0.122 nan 8.250 nan 0.000 0.440 479 N N 0.782 119.436 118.700 -0.075 0.000 2.166 479 N HA -0.127 4.608 4.740 -0.008 0.000 0.186 479 N C 1.348 176.790 175.510 -0.112 0.000 1.019 479 N CA 1.292 54.304 53.050 -0.063 0.000 0.856 479 N CB -0.130 38.407 38.487 0.083 0.000 0.993 479 N HN 0.171 nan 8.380 nan 0.000 0.426 480 A N 1.072 123.808 122.820 -0.139 0.000 2.275 480 A HA 0.006 4.321 4.320 -0.008 0.000 0.212 480 A C 0.827 178.312 177.584 -0.165 0.000 1.201 480 A CA -0.329 51.617 52.037 -0.152 0.000 0.843 480 A CB -0.396 18.483 19.000 -0.202 0.000 0.873 480 A HN 0.452 nan 8.150 nan 0.000 0.492 481 Q N 0.102 119.807 119.800 -0.158 0.000 2.474 481 Q HA 0.368 4.704 4.340 -0.008 0.000 0.256 481 Q C -0.554 175.370 176.000 -0.127 0.000 1.048 481 Q CA -0.212 55.499 55.803 -0.154 0.000 0.922 481 Q CB 0.399 29.058 28.738 -0.131 0.000 1.288 481 Q HN 0.395 nan 8.270 nan 0.000 0.484 482 L N 1.811 122.959 121.223 -0.126 0.000 2.464 482 L HA 0.163 4.498 4.340 -0.008 0.000 0.264 482 L C 0.729 177.554 176.870 -0.075 0.000 1.199 482 L CA -0.792 53.992 54.840 -0.095 0.000 0.818 482 L CB 0.159 42.161 42.059 -0.094 0.000 1.102 482 L HN 0.743 nan 8.230 nan 0.000 0.473 483 N N 0.000 118.665 118.700 -0.058 0.000 1.763 483 N HA 0.000 4.735 4.740 -0.008 0.000 0.220 483 N CA 0.000 53.021 53.050 -0.048 0.000 0.885 483 N CB 0.000 38.465 38.487 -0.037 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667