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 3koh_1_A DATA FIRST_RESID 31 DATA SEQUENCE KLPPGPFPLP IIGNLFQLEL KNIPKSFTRL AQRFGPVFTL YVGSQRMVVM DATA SEQUENCE HGYKAVKEAL LDYKDEFSGR GDLPAFHAHR DRGIIFNNGP TWKDIRRFSL DATA SEQUENCE TTLRNYGMGK QGNESRIQRE AHFLLEALRK TQGQPFDPTF LIGCAPCNVI DATA SEQUENCE ADILFRKHFD YNDEKFLRLM YLFNENFHLL STPWLQLYNN FPSFLHYLPG DATA SEQUENCE SHRKVIKNVA EVKEYVSERV KEHHQSLDPN CPRDLTDCLL VEMEKEKHSA DATA SEQUENCE ERLYTMDGIT VTVADLFFAG TETTSTTLRY GLLILMKYPE IEEKLHEEID DATA SEQUENCE RVIGPSRIPA IKDRQEMPYM DAVVHEIQRF ITLVPSNLPH EATRDTIFRG DATA SEQUENCE YLIPKGTVVV PTLDSVLYDN QEFPDPEKFK PEHFLNENGK FKYSDYFKPF DATA SEQUENCE STGKRVCAGE GLARMELFLL LCAILQHFNL KPLVDPKDID LSPIHIGFGC DATA SEQUENCE IPPRYKLCVI PRS 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 31 K HA 0.000 nan 4.320 nan 0.000 0.191 31 K C 0.000 176.674 176.600 0.123 0.000 0.988 31 K CA 0.000 56.352 56.287 0.109 0.000 0.838 31 K CB 0.000 32.589 32.500 0.148 0.000 1.064 32 L N 3.688 124.921 121.223 0.017 0.000 2.472 32 L HA 0.372 4.954 4.340 0.404 0.000 0.260 32 L C -1.819 174.867 176.870 -0.306 0.000 1.209 32 L CA -1.465 53.327 54.840 -0.080 0.000 0.817 32 L CB -0.079 41.927 42.059 -0.088 0.000 1.106 32 L HN 0.516 nan 8.230 nan 0.000 0.479 33 P HA 0.153 nan 4.420 nan 0.000 0.270 33 P C -2.469 174.523 177.300 -0.513 0.000 1.223 33 P CA -0.917 61.657 63.100 -0.877 0.000 0.785 33 P CB -0.082 31.320 31.700 -0.496 0.000 0.923 34 P HA 0.335 nan 4.420 nan 0.000 0.272 34 P C -0.076 177.007 177.300 -0.361 0.000 1.223 34 P CA 0.457 63.416 63.100 -0.234 0.000 0.784 34 P CB 0.544 32.227 31.700 -0.029 0.000 0.923 35 G N 1.543 110.020 108.800 -0.538 0.000 2.600 35 G HA2 0.572 4.774 3.960 0.404 0.000 0.293 35 G HA3 0.572 4.774 3.960 0.404 0.000 0.293 35 G C -3.269 171.205 174.900 -0.710 0.000 1.408 35 G CA -1.016 43.634 45.100 -0.750 0.000 0.782 35 G HN 0.171 nan 8.290 nan 0.000 0.482 36 P HA 0.470 nan 4.420 nan 0.000 0.279 36 P C -0.738 176.611 177.300 0.081 0.000 1.252 36 P CA -0.608 62.474 63.100 -0.030 0.000 0.811 36 P CB 0.777 32.532 31.700 0.092 0.000 1.035 37 F N 2.965 122.944 119.950 0.048 0.000 2.506 37 F HA 0.340 5.110 4.527 0.404 0.000 0.351 37 F C -1.950 173.888 175.800 0.063 0.000 1.136 37 F CA -0.892 57.135 58.000 0.044 0.000 1.298 37 F CB 0.625 39.647 39.000 0.037 0.000 1.145 37 F HN 0.226 nan 8.300 nan 0.000 0.593 38 P HA 0.334 nan 4.420 nan 0.000 0.309 38 P C -1.283 176.115 177.300 0.164 0.000 1.452 38 P CA -0.554 62.611 63.100 0.108 0.000 1.053 38 P CB 1.833 33.492 31.700 -0.068 0.000 1.167 39 L N 3.941 125.276 121.223 0.188 0.000 2.466 39 L HA 0.393 4.975 4.340 0.404 0.000 0.257 39 L C -2.019 174.910 176.870 0.099 0.000 1.189 39 L CA -1.860 53.082 54.840 0.170 0.000 0.813 39 L CB 0.191 42.362 42.059 0.186 0.000 1.118 39 L HN 0.156 nan 8.230 nan 0.000 0.471 40 P HA 0.189 nan 4.420 nan 0.000 0.276 40 P C 0.629 177.967 177.300 0.063 0.000 1.230 40 P CA -0.042 63.090 63.100 0.054 0.000 0.776 40 P CB 0.811 32.544 31.700 0.054 0.000 0.888 41 I N 1.154 121.761 120.570 0.062 0.000 4.538 41 I HA -0.332 4.081 4.170 0.404 0.000 0.053 41 I C 1.453 177.652 176.117 0.137 0.000 0.613 41 I CA 2.078 63.434 61.300 0.094 0.000 0.944 41 I CB -1.618 36.425 38.000 0.070 0.000 0.852 41 I HN 0.442 nan 8.210 nan 0.000 0.162 42 I N -0.607 120.038 120.570 0.124 0.000 3.728 42 I HA 0.504 4.916 4.170 0.404 0.000 0.307 42 I C 1.583 177.813 176.117 0.190 0.000 1.276 42 I CA 0.931 62.344 61.300 0.188 0.000 1.285 42 I CB 0.283 38.314 38.000 0.051 0.000 1.038 42 I HN 0.594 nan 8.210 nan 0.000 0.445 43 G N 2.870 111.752 108.800 0.136 0.000 2.596 43 G HA2 -0.414 3.789 3.960 0.404 0.000 0.304 43 G HA3 -0.414 3.789 3.960 0.404 0.000 0.304 43 G C 0.304 175.311 174.900 0.179 0.000 1.189 43 G CA 0.856 46.039 45.100 0.140 0.000 0.986 43 G HN 0.561 nan 8.290 nan 0.000 0.548 44 N N 0.481 119.297 118.700 0.192 0.000 2.251 44 N HA 0.382 5.364 4.740 0.404 0.000 0.217 44 N C 1.704 177.320 175.510 0.177 0.000 1.124 44 N CA 0.111 53.278 53.050 0.196 0.000 0.843 44 N CB 0.334 38.932 38.487 0.185 0.000 1.024 44 N HN 0.428 nan 8.380 nan 0.000 0.501 45 L N -0.262 121.045 121.223 0.140 0.000 2.353 45 L HA 0.022 4.605 4.340 0.404 0.000 0.220 45 L C 0.965 177.836 176.870 0.002 0.000 1.133 45 L CA 1.493 56.364 54.840 0.051 0.000 0.798 45 L CB -0.244 41.803 42.059 -0.019 0.000 0.922 45 L HN 0.163 nan 8.230 nan 0.000 0.445 46 F N -0.540 119.442 119.950 0.053 0.000 2.661 46 F HA -0.010 4.759 4.527 0.404 0.000 0.298 46 F C 1.942 177.768 175.800 0.043 0.000 1.137 46 F CA 0.631 58.653 58.000 0.036 0.000 1.454 46 F CB -0.030 38.992 39.000 0.037 0.000 1.103 46 F HN 0.272 nan 8.300 nan 0.000 0.577 47 Q N 0.190 120.129 119.800 0.232 0.000 2.246 47 Q HA 0.259 4.842 4.340 0.404 0.000 0.202 47 Q C -0.217 175.854 176.000 0.118 0.000 0.883 47 Q CA 0.345 56.251 55.803 0.171 0.000 0.952 47 Q CB 0.586 29.431 28.738 0.178 0.000 1.078 47 Q HN 0.326 nan 8.270 nan 0.000 0.493 48 L N 0.517 121.791 121.223 0.085 0.000 2.381 48 L HA 0.424 5.006 4.340 0.404 0.000 0.268 48 L C -0.142 176.723 176.870 -0.009 0.000 0.997 48 L CA -0.533 54.320 54.840 0.021 0.000 0.818 48 L CB 2.626 44.693 42.059 0.012 0.000 1.310 48 L HN -0.074 nan 8.230 nan 0.000 0.416 49 E N 2.317 122.493 120.200 -0.039 0.000 2.092 49 E HA 0.269 4.861 4.350 0.404 0.000 0.271 49 E C 0.482 177.048 176.600 -0.057 0.000 0.919 49 E CA -0.360 56.019 56.400 -0.035 0.000 0.760 49 E CB 1.312 30.996 29.700 -0.027 0.000 1.106 49 E HN 0.614 nan 8.360 nan 0.000 0.408 50 L N 4.075 125.270 121.223 -0.047 0.000 2.131 50 L HA -0.197 4.385 4.340 0.404 0.000 0.210 50 L C 2.196 179.045 176.870 -0.034 0.000 1.092 50 L CA 1.188 56.001 54.840 -0.045 0.000 0.759 50 L CB -0.296 41.742 42.059 -0.036 0.000 0.903 50 L HN 0.472 nan 8.230 nan 0.000 0.435 51 K N -0.400 119.988 120.400 -0.021 0.000 2.148 51 K HA -0.078 4.485 4.320 0.404 0.000 0.204 51 K C 0.672 177.258 176.600 -0.024 0.000 1.050 51 K CA 0.761 57.044 56.287 -0.007 0.000 0.942 51 K CB -0.013 32.491 32.500 0.006 0.000 0.724 51 K HN 0.144 nan 8.250 nan 0.000 0.446 52 N N 0.817 119.488 118.700 -0.049 0.000 2.752 52 N HA 0.100 5.082 4.740 0.404 0.000 0.260 52 N C 0.344 175.776 175.510 -0.130 0.000 1.562 52 N CA -0.044 52.964 53.050 -0.071 0.000 0.788 52 N CB 0.660 39.115 38.487 -0.053 0.000 1.192 52 N HN -0.072 nan 8.380 nan 0.000 0.503 53 I N 1.437 121.900 120.570 -0.179 0.000 2.286 53 I HA -0.082 4.331 4.170 0.404 0.000 0.248 53 I C -0.736 175.064 176.117 -0.527 0.000 1.115 53 I CA 0.691 61.774 61.300 -0.363 0.000 1.392 53 I CB -1.621 36.156 38.000 -0.371 0.000 1.065 53 I HN 0.256 nan 8.210 nan 0.000 0.418 54 P HA -0.172 nan 4.420 nan 0.000 0.217 54 P C 1.808 179.070 177.300 -0.063 0.000 1.150 54 P CA 1.473 64.489 63.100 -0.140 0.000 0.832 54 P CB -0.051 31.619 31.700 -0.050 0.000 0.787 55 K N -0.375 119.979 120.400 -0.076 0.000 2.097 55 K HA -0.097 4.465 4.320 0.404 0.000 0.206 55 K C 1.994 178.575 176.600 -0.032 0.000 1.049 55 K CA 1.518 57.787 56.287 -0.030 0.000 0.933 55 K CB -0.291 32.190 32.500 -0.033 0.000 0.717 55 K HN -0.009 nan 8.250 nan 0.000 0.442 56 S N 0.397 116.039 115.700 -0.096 0.000 2.383 56 S HA -0.081 4.631 4.470 0.404 0.000 0.227 56 S C 1.550 176.183 174.600 0.056 0.000 1.026 56 S CA 0.959 59.121 58.200 -0.064 0.000 0.981 56 S CB -0.276 62.849 63.200 -0.126 0.000 0.818 56 S HN 0.229 nan 8.310 nan 0.000 0.472 57 F N 2.303 122.283 119.950 0.049 0.000 2.171 57 F HA -0.062 4.706 4.527 0.401 0.000 0.300 57 F C 2.755 178.458 175.800 -0.162 0.000 1.090 57 F CA 0.711 58.771 58.000 0.100 0.000 1.293 57 F CB -1.729 37.377 39.000 0.177 0.000 1.013 57 F HN 0.146 nan 8.300 nan 0.000 0.486 58 T N 0.497 115.039 114.554 -0.020 0.000 2.746 58 T HA -0.205 4.388 4.350 0.404 0.000 0.267 58 T C 2.021 176.618 174.700 -0.170 0.000 1.039 58 T CA 1.630 63.577 62.100 -0.255 0.000 1.142 58 T CB -0.307 68.585 68.868 0.041 0.000 0.866 58 T HN 0.339 nan 8.240 nan 0.000 0.444 59 R N 1.087 121.538 120.500 -0.082 0.000 2.148 59 R HA 0.105 4.687 4.340 0.404 0.000 0.227 59 R C 2.182 178.393 176.300 -0.149 0.000 1.103 59 R CA 1.118 57.166 56.100 -0.086 0.000 0.983 59 R CB -0.700 29.574 30.300 -0.045 0.000 0.874 59 R HN 0.310 nan 8.270 nan 0.000 0.451 60 L N 0.724 121.834 121.223 -0.188 0.000 2.156 60 L HA 0.024 4.607 4.340 0.404 0.000 0.208 60 L C 2.805 179.334 176.870 -0.568 0.000 1.095 60 L CA 1.012 55.638 54.840 -0.357 0.000 0.770 60 L CB -0.443 41.334 42.059 -0.469 0.000 0.914 60 L HN 0.408 nan 8.230 nan 0.000 0.439 61 A N -0.370 122.157 122.820 -0.488 0.000 1.933 61 A HA -0.210 4.352 4.320 0.404 0.000 0.218 61 A C 2.238 179.724 177.584 -0.163 0.000 1.175 61 A CA 1.262 53.126 52.037 -0.288 0.000 0.628 61 A CB -0.304 18.542 19.000 -0.257 0.000 0.814 61 A HN 0.454 nan 8.150 nan 0.000 0.444 62 Q N -0.627 119.070 119.800 -0.171 0.000 2.050 62 Q HA -0.201 4.381 4.340 0.404 0.000 0.202 62 Q C 2.256 178.129 176.000 -0.210 0.000 0.980 62 Q CA 1.658 57.383 55.803 -0.131 0.000 0.840 62 Q CB -0.372 28.298 28.738 -0.114 0.000 0.898 62 Q HN 0.729 nan 8.270 nan 0.000 0.424 63 R N -0.057 120.233 120.500 -0.350 0.000 2.081 63 R HA -0.096 4.487 4.340 0.404 0.000 0.235 63 R C 1.087 176.894 176.300 -0.822 0.000 1.131 63 R CA 1.420 57.135 56.100 -0.642 0.000 0.960 63 R CB 0.076 29.865 30.300 -0.852 0.000 0.856 63 R HN 0.181 nan 8.270 nan 0.000 0.436 64 F N -0.744 119.101 119.950 -0.176 0.000 2.688 64 F HA 0.437 5.206 4.527 0.403 0.000 0.310 64 F C 0.857 176.641 175.800 -0.026 0.000 1.098 64 F CA 0.256 58.194 58.000 -0.103 0.000 1.228 64 F CB 1.110 40.032 39.000 -0.131 0.000 1.042 64 F HN 0.280 nan 8.300 nan 0.000 0.557 65 G N 1.687 110.537 108.800 0.083 0.000 2.698 65 G HA2 -0.196 4.006 3.960 0.404 0.000 0.225 65 G HA3 -0.196 4.006 3.960 0.404 0.000 0.225 65 G C -1.944 173.095 174.900 0.231 0.000 1.345 65 G CA -0.404 44.782 45.100 0.143 0.000 0.871 65 G HN -0.012 nan 8.290 nan 0.000 0.540 66 P HA 0.067 nan 4.420 nan 0.000 0.218 66 P C 0.723 178.192 177.300 0.281 0.000 1.149 66 P CA 1.613 64.878 63.100 0.276 0.000 0.817 66 P CB 0.111 31.941 31.700 0.216 0.000 0.785 67 V N 1.661 121.738 119.914 0.271 0.000 2.448 67 V HA 0.450 4.812 4.120 0.404 0.000 0.295 67 V C -0.232 175.958 176.094 0.161 0.000 1.025 67 V CA -0.668 61.713 62.300 0.135 0.000 0.859 67 V CB 0.993 32.942 31.823 0.210 0.000 0.988 67 V HN 0.054 nan 8.190 nan 0.000 0.431 68 F N 1.246 121.107 119.950 -0.148 0.000 2.631 68 F HA 0.847 5.616 4.527 0.404 0.000 0.308 68 F C -0.315 175.301 175.800 -0.307 0.000 1.097 68 F CA -0.766 57.098 58.000 -0.226 0.000 0.952 68 F CB 1.643 40.546 39.000 -0.161 0.000 1.307 68 F HN 0.278 nan 8.300 nan 0.000 0.450 69 T N 3.523 117.933 114.554 -0.240 0.000 2.829 69 T HA 0.682 5.275 4.350 0.404 0.000 0.282 69 T C -1.331 173.188 174.700 -0.302 0.000 0.990 69 T CA -0.447 61.435 62.100 -0.362 0.000 1.028 69 T CB 1.593 70.243 68.868 -0.363 0.000 0.951 69 T HN 0.635 nan 8.240 nan 0.000 0.460 70 L N 2.707 123.687 121.223 -0.404 0.000 2.422 70 L HA 0.552 5.134 4.340 0.404 0.000 0.264 70 L C -1.863 174.750 176.870 -0.428 0.000 0.984 70 L CA -0.877 53.812 54.840 -0.252 0.000 0.819 70 L CB 1.750 43.749 42.059 -0.100 0.000 1.330 70 L HN 0.646 nan 8.230 nan 0.000 0.410 71 Y N 3.555 123.827 120.300 -0.046 0.000 2.356 71 Y HA 0.583 5.376 4.550 0.406 0.000 0.334 71 Y C -0.225 175.661 175.900 -0.024 0.000 0.958 71 Y CA -0.667 57.399 58.100 -0.056 0.000 1.196 71 Y CB 1.966 40.390 38.460 -0.060 0.000 1.137 71 Y HN 0.303 nan 8.280 nan 0.000 0.485 72 V N 5.233 125.176 119.914 0.048 0.000 2.313 72 V HA 0.815 5.177 4.120 0.404 0.000 0.278 72 V C 0.418 176.427 176.094 -0.142 0.000 1.017 72 V CA 0.489 62.802 62.300 0.022 0.000 0.823 72 V CB 0.189 32.020 31.823 0.013 0.000 1.010 72 V HN 1.035 nan 8.190 nan 0.000 0.443 73 G N 5.759 114.473 108.800 -0.144 0.000 2.566 73 G HA2 -0.337 3.865 3.960 0.404 0.000 0.280 73 G HA3 -0.337 3.865 3.960 0.404 0.000 0.280 73 G C 1.107 175.892 174.900 -0.191 0.000 1.225 73 G CA 0.926 45.699 45.100 -0.545 0.000 0.966 73 G HN 1.946 nan 8.290 nan 0.000 0.560 74 S N -0.484 115.092 115.700 -0.207 0.000 2.383 74 S HA 0.069 4.782 4.470 0.404 0.000 0.227 74 S C 1.272 175.862 174.600 -0.017 0.000 1.026 74 S CA 1.973 60.134 58.200 -0.065 0.000 0.981 74 S CB -0.117 63.050 63.200 -0.055 0.000 0.818 74 S HN 0.981 nan 8.310 nan 0.000 0.472 75 Q N 2.357 122.109 119.800 -0.080 0.000 2.395 75 Q HA 0.294 4.877 4.340 0.404 0.000 0.271 75 Q C -0.154 175.821 176.000 -0.041 0.000 1.026 75 Q CA 0.224 55.989 55.803 -0.062 0.000 0.900 75 Q CB 0.527 29.195 28.738 -0.116 0.000 1.266 75 Q HN 0.540 nan 8.270 nan 0.000 0.430 76 R N 3.835 124.277 120.500 -0.097 0.000 2.387 76 R HA 0.606 5.188 4.340 0.404 0.000 0.314 76 R C -1.051 175.066 176.300 -0.305 0.000 0.958 76 R CA -0.375 55.557 56.100 -0.281 0.000 0.846 76 R CB 0.552 30.711 30.300 -0.234 0.000 1.147 76 R HN 0.820 nan 8.270 nan 0.000 0.447 77 M N 1.803 121.171 119.600 -0.387 0.000 2.593 77 M HA 0.580 5.303 4.480 0.404 0.000 0.290 77 M C -1.505 174.521 176.300 -0.457 0.000 1.244 77 M CA -1.172 53.908 55.300 -0.367 0.000 0.857 77 M CB 2.452 34.875 32.600 -0.296 0.000 1.738 77 M HN 0.150 nan 8.290 nan 0.000 0.461 78 V N 1.808 121.427 119.914 -0.491 0.000 2.604 78 V HA 0.707 5.069 4.120 0.404 0.000 0.305 78 V C -0.651 175.034 176.094 -0.681 0.000 1.043 78 V CA -0.730 61.225 62.300 -0.574 0.000 0.888 78 V CB 2.005 33.525 31.823 -0.505 0.000 0.995 78 V HN 0.759 nan 8.190 nan 0.000 0.429 79 V N 5.247 124.602 119.914 -0.932 0.000 2.555 79 V HA 0.564 4.927 4.120 0.404 0.000 0.302 79 V C -0.308 175.358 176.094 -0.713 0.000 1.038 79 V CA -0.526 61.190 62.300 -0.974 0.000 0.887 79 V CB 1.818 32.747 31.823 -1.489 0.000 0.991 79 V HN 0.860 nan 8.190 nan 0.000 0.434 80 M N 4.567 123.908 119.600 -0.432 0.000 2.167 80 M HA 0.471 5.193 4.480 0.404 0.000 0.333 80 M C -0.678 175.597 176.300 -0.041 0.000 1.030 80 M CA -0.038 55.136 55.300 -0.209 0.000 0.963 80 M CB 1.147 33.608 32.600 -0.231 0.000 1.589 80 M HN 0.665 nan 8.290 nan 0.000 0.431 81 H N 1.905 120.972 119.070 -0.004 0.000 2.529 81 H HA 0.737 5.538 4.556 0.409 0.000 0.348 81 H C -0.300 175.084 175.328 0.094 0.000 1.079 81 H CA 0.228 56.319 56.048 0.071 0.000 1.198 81 H CB 1.523 31.393 29.762 0.180 0.000 1.521 81 H HN 0.849 nan 8.280 nan 0.000 0.514 82 G N 3.132 111.861 108.800 -0.119 0.000 2.617 82 G HA2 -0.266 3.937 3.960 0.404 0.000 0.686 82 G HA3 -0.266 3.937 3.960 0.404 0.000 0.686 82 G C -0.316 174.621 174.900 0.060 0.000 1.214 82 G CA -0.013 45.105 45.100 0.030 0.000 0.796 82 G HN 0.678 nan 8.290 nan 0.000 0.654 83 Y N 0.940 121.234 120.300 -0.010 0.000 2.181 83 Y HA -0.033 4.750 4.550 0.388 0.000 0.288 83 Y C 2.765 178.618 175.900 -0.078 0.000 1.146 83 Y CA 2.673 60.713 58.100 -0.100 0.000 1.164 83 Y CB -0.108 38.206 38.460 -0.243 0.000 0.982 83 Y HN 0.623 nan 8.280 nan 0.000 0.515 84 K N 0.020 120.436 120.400 0.027 0.000 2.026 84 K HA -0.134 4.428 4.320 0.404 0.000 0.208 84 K C 2.370 178.926 176.600 -0.073 0.000 1.048 84 K CA 1.333 57.583 56.287 -0.062 0.000 0.929 84 K CB -0.441 32.107 32.500 0.079 0.000 0.713 84 K HN 0.400 nan 8.250 nan 0.000 0.439 85 A N 0.663 123.495 122.820 0.021 0.000 1.873 85 A HA -0.119 4.444 4.320 0.404 0.000 0.215 85 A C 2.328 179.929 177.584 0.028 0.000 1.186 85 A CA 1.497 53.587 52.037 0.089 0.000 0.616 85 A CB -0.703 18.374 19.000 0.129 0.000 0.823 85 A HN 0.084 nan 8.150 nan 0.000 0.442 86 V N 0.330 120.204 119.914 -0.067 0.000 2.407 86 V HA -0.262 4.101 4.120 0.404 0.000 0.248 86 V C 2.506 178.513 176.094 -0.146 0.000 1.055 86 V CA 2.339 64.568 62.300 -0.118 0.000 1.049 86 V CB -0.682 31.063 31.823 -0.130 0.000 0.662 86 V HN 0.649 nan 8.190 nan 0.000 0.455 87 K N 0.042 120.288 120.400 -0.256 0.000 2.057 87 K HA -0.195 4.367 4.320 0.404 0.000 0.206 87 K C 2.159 178.702 176.600 -0.096 0.000 1.050 87 K CA 1.610 57.732 56.287 -0.274 0.000 0.935 87 K CB -0.071 32.079 32.500 -0.584 0.000 0.715 87 K HN 0.573 nan 8.250 nan 0.000 0.439 88 E N 0.009 120.200 120.200 -0.016 0.000 2.051 88 E HA -0.199 4.393 4.350 0.404 0.000 0.192 88 E C 1.974 178.735 176.600 0.269 0.000 0.991 88 E CA 1.140 57.612 56.400 0.119 0.000 0.799 88 E CB -0.115 29.677 29.700 0.153 0.000 0.748 88 E HN 0.400 nan 8.360 nan 0.000 0.449 89 A N 0.968 123.944 122.820 0.259 0.000 1.877 89 A HA -0.166 4.396 4.320 0.404 0.000 0.216 89 A C 2.096 179.781 177.584 0.168 0.000 1.186 89 A CA 1.085 53.263 52.037 0.235 0.000 0.620 89 A CB -0.406 18.623 19.000 0.049 0.000 0.822 89 A HN 0.101 nan 8.150 nan 0.000 0.443 90 L N -0.854 120.393 121.223 0.040 0.000 2.093 90 L HA 0.019 4.601 4.340 0.404 0.000 0.208 90 L C 2.174 179.071 176.870 0.045 0.000 1.085 90 L CA 1.488 56.328 54.840 -0.001 0.000 0.755 90 L CB -0.547 41.473 42.059 -0.066 0.000 0.904 90 L HN 0.362 nan 8.230 nan 0.000 0.435 91 L N -1.805 119.442 121.223 0.040 0.000 2.609 91 L HA 0.092 4.674 4.340 0.404 0.000 0.230 91 L C 1.140 178.026 176.870 0.026 0.000 1.087 91 L CA 0.042 54.901 54.840 0.031 0.000 0.874 91 L CB 0.101 42.164 42.059 0.007 0.000 1.114 91 L HN 0.126 nan 8.230 nan 0.000 0.488 92 D N -0.852 119.593 120.400 0.075 0.000 2.366 92 D HA 0.028 4.911 4.640 0.404 0.000 0.205 92 D C 0.267 176.455 176.300 -0.186 0.000 1.022 92 D CA 0.828 54.821 54.000 -0.011 0.000 0.868 92 D CB 0.480 41.301 40.800 0.035 0.000 0.953 92 D HN 0.231 nan 8.370 nan 0.000 0.514 93 Y N 0.647 120.872 120.300 -0.124 0.000 2.578 93 Y HA 0.174 4.964 4.550 0.400 0.000 0.317 93 Y C 1.447 177.253 175.900 -0.157 0.000 0.940 93 Y CA -0.581 57.364 58.100 -0.257 0.000 1.174 93 Y CB 0.523 38.606 38.460 -0.628 0.000 1.198 93 Y HN -0.166 nan 8.280 nan 0.000 0.597 94 K N -1.069 119.355 120.400 0.040 0.000 2.057 94 K HA -0.197 4.365 4.320 0.404 0.000 0.207 94 K C 1.220 177.880 176.600 0.101 0.000 1.049 94 K CA 1.962 58.304 56.287 0.091 0.000 0.931 94 K CB 0.032 32.573 32.500 0.069 0.000 0.714 94 K HN 0.159 nan 8.250 nan 0.000 0.440 95 D N 1.155 121.581 120.400 0.042 0.000 2.117 95 D HA -0.110 4.773 4.640 0.404 0.000 0.198 95 D C 1.611 177.954 176.300 0.073 0.000 0.982 95 D CA 1.094 55.129 54.000 0.058 0.000 0.828 95 D CB 0.099 40.910 40.800 0.019 0.000 0.967 95 D HN 0.259 nan 8.370 nan 0.000 0.464 96 E N -0.689 119.522 120.200 0.019 0.000 2.150 96 E HA -0.082 4.510 4.350 0.404 0.000 0.193 96 E C 0.668 177.433 176.600 0.274 0.000 0.985 96 E CA 0.651 57.072 56.400 0.035 0.000 0.814 96 E CB -0.125 29.504 29.700 -0.119 0.000 0.752 96 E HN 0.264 nan 8.360 nan 0.000 0.466 97 F N 0.064 120.081 119.950 0.113 0.000 2.923 97 F HA 0.302 5.069 4.527 0.399 0.000 0.314 97 F C 0.659 176.531 175.800 0.121 0.000 1.196 97 F CA -0.859 57.187 58.000 0.075 0.000 1.320 97 F CB -0.086 38.924 39.000 0.015 0.000 0.953 97 F HN -0.155 nan 8.300 nan 0.000 0.505 98 S N -0.929 114.902 115.700 0.219 0.000 2.593 98 S HA 0.153 4.866 4.470 0.404 0.000 0.217 98 S C 1.455 175.919 174.600 -0.226 0.000 0.966 98 S CA 0.051 58.273 58.200 0.037 0.000 0.914 98 S CB 0.036 63.286 63.200 0.084 0.000 0.776 98 S HN 0.383 nan 8.310 nan 0.000 0.523 99 G N 1.661 110.394 108.800 -0.112 0.000 2.594 99 G HA2 0.446 4.648 3.960 0.404 0.000 0.243 99 G HA3 0.446 4.648 3.960 0.404 0.000 0.243 99 G C -0.325 174.379 174.900 -0.326 0.000 1.229 99 G CA -0.521 44.454 45.100 -0.208 0.000 0.843 99 G HN 0.278 nan 8.290 nan 0.000 0.578 100 R N 0.361 120.667 120.500 -0.322 0.000 2.439 100 R HA 0.536 5.119 4.340 0.404 0.000 0.310 100 R C 0.593 176.792 176.300 -0.168 0.000 0.955 100 R CA -0.049 55.856 56.100 -0.325 0.000 0.853 100 R CB 0.833 30.908 30.300 -0.375 0.000 1.171 100 R HN 0.748 nan 8.270 nan 0.000 0.449 101 G N 1.989 110.704 108.800 -0.141 0.000 2.690 101 G HA2 -0.005 4.197 3.960 0.404 0.000 0.239 101 G HA3 -0.005 4.197 3.960 0.404 0.000 0.239 101 G C -0.748 174.154 174.900 0.003 0.000 1.233 101 G CA -0.278 44.778 45.100 -0.073 0.000 0.847 101 G HN 0.698 nan 8.290 nan 0.000 0.588 102 D N -0.528 119.884 120.400 0.021 0.000 2.264 102 D HA 0.346 5.228 4.640 0.404 0.000 0.250 102 D C -0.192 176.149 176.300 0.068 0.000 1.113 102 D CA -0.162 53.887 54.000 0.082 0.000 0.871 102 D CB 0.731 41.589 40.800 0.096 0.000 1.167 102 D HN 0.116 nan 8.370 nan 0.000 0.447 103 L N 6.135 127.421 121.223 0.104 0.000 2.388 103 L HA 0.313 4.895 4.340 0.404 0.000 0.267 103 L C -1.696 175.140 176.870 -0.057 0.000 0.995 103 L CA -1.650 53.244 54.840 0.091 0.000 0.864 103 L CB 2.186 44.414 42.059 0.281 0.000 1.216 103 L HN 0.324 nan 8.230 nan 0.000 0.430 104 P HA -0.160 nan 4.420 nan 0.000 0.218 104 P C 1.434 178.525 177.300 -0.348 0.000 1.148 104 P CA 0.963 63.675 63.100 -0.645 0.000 0.822 104 P CB 0.367 31.665 31.700 -0.670 0.000 0.784 105 A N -1.943 120.814 122.820 -0.105 0.000 2.125 105 A HA -0.102 4.460 4.320 0.404 0.000 0.219 105 A C 1.188 178.520 177.584 -0.420 0.000 1.156 105 A CA 1.116 53.050 52.037 -0.172 0.000 0.671 105 A CB -1.384 17.473 19.000 -0.239 0.000 0.794 105 A HN 0.147 nan 8.150 nan 0.000 0.459 106 F N -0.989 118.799 119.950 -0.269 0.000 2.923 106 F HA 0.261 5.033 4.527 0.408 0.000 0.314 106 F C 1.369 177.076 175.800 -0.155 0.000 1.196 106 F CA -0.389 57.404 58.000 -0.344 0.000 1.320 106 F CB -0.354 38.166 39.000 -0.799 0.000 0.953 106 F HN 0.352 nan 8.300 nan 0.000 0.505 107 H N -0.799 118.296 119.070 0.042 0.000 2.491 107 H HA -0.059 4.739 4.556 0.403 0.000 0.290 107 H C 2.269 177.658 175.328 0.100 0.000 1.050 107 H CA 0.634 56.721 56.048 0.066 0.000 1.309 107 H CB 0.471 30.275 29.762 0.070 0.000 1.392 107 H HN 0.388 nan 8.280 nan 0.000 0.554 108 A N -0.007 122.957 122.820 0.241 0.000 2.178 108 A HA -0.159 4.403 4.320 0.404 0.000 0.218 108 A C 1.406 179.147 177.584 0.261 0.000 1.157 108 A CA 1.254 53.423 52.037 0.222 0.000 0.689 108 A CB -0.250 18.872 19.000 0.203 0.000 0.787 108 A HN 0.576 nan 8.150 nan 0.000 0.465 109 H N -2.371 116.783 119.070 0.139 0.000 2.893 109 H HA 0.152 4.950 4.556 0.404 0.000 0.270 109 H C 0.370 175.794 175.328 0.160 0.000 1.095 109 H CA -0.458 55.691 56.048 0.168 0.000 1.186 109 H CB 0.410 30.287 29.762 0.191 0.000 1.562 109 H HN 0.361 nan 8.280 nan 0.000 0.536 110 R N 1.911 122.558 120.500 0.245 0.000 2.570 110 R HA -0.068 4.514 4.340 0.404 0.000 0.277 110 R C -0.190 176.199 176.300 0.149 0.000 1.039 110 R CA 0.387 56.610 56.100 0.206 0.000 1.065 110 R CB -0.208 30.195 30.300 0.172 0.000 0.964 110 R HN 0.158 nan 8.270 nan 0.000 0.428 111 D N 1.295 121.785 120.400 0.149 0.000 2.751 111 D HA -0.214 4.668 4.640 0.404 0.000 0.233 111 D C -0.633 175.725 176.300 0.095 0.000 1.149 111 D CA 1.141 55.200 54.000 0.099 0.000 0.682 111 D CB -0.422 40.411 40.800 0.054 0.000 1.068 111 D HN 0.493 nan 8.370 nan 0.000 0.429 112 R N -1.659 118.920 120.500 0.130 0.000 2.870 112 R HA 0.734 5.316 4.340 0.404 0.000 0.262 112 R C 1.112 177.491 176.300 0.132 0.000 1.112 112 R CA 0.067 56.223 56.100 0.094 0.000 0.976 112 R CB 0.453 30.800 30.300 0.077 0.000 1.261 112 R HN 0.081 nan 8.270 nan 0.000 0.453 113 G N 0.703 109.555 108.800 0.086 0.000 2.594 113 G HA2 -0.357 3.845 3.960 0.404 0.000 0.297 113 G HA3 -0.357 3.845 3.960 0.404 0.000 0.297 113 G C 0.517 175.490 174.900 0.122 0.000 1.273 113 G CA 0.808 45.971 45.100 0.105 0.000 0.974 113 G HN 0.761 nan 8.290 nan 0.000 0.552 114 I N -1.494 119.156 120.570 0.133 0.000 4.398 114 I HA 0.336 4.749 4.170 0.404 0.000 0.310 114 I C 2.338 178.528 176.117 0.122 0.000 1.232 114 I CA 0.312 61.725 61.300 0.190 0.000 1.312 114 I CB 0.059 38.133 38.000 0.123 0.000 1.347 114 I HN 0.507 nan 8.210 nan 0.000 0.454 115 I N 1.025 121.547 120.570 -0.080 0.000 2.315 115 I HA -0.167 4.245 4.170 0.404 0.000 0.248 115 I C 1.047 176.795 176.117 -0.615 0.000 1.117 115 I CA 1.638 62.677 61.300 -0.436 0.000 1.404 115 I CB -0.249 37.246 38.000 -0.841 0.000 1.071 115 I HN 0.190 nan 8.210 nan 0.000 0.419 116 F N 1.219 121.157 119.950 -0.020 0.000 2.708 116 F HA 0.176 4.950 4.527 0.412 0.000 0.300 116 F C 0.207 175.995 175.800 -0.021 0.000 1.118 116 F CA -0.867 57.115 58.000 -0.029 0.000 1.307 116 F CB -0.434 38.588 39.000 0.038 0.000 0.986 116 F HN 0.122 nan 8.300 nan 0.000 0.522 117 N N -0.680 118.054 118.700 0.056 0.000 2.400 117 N HA 0.193 5.175 4.740 0.404 0.000 0.288 117 N C -0.160 175.288 175.510 -0.102 0.000 1.024 117 N CA -0.573 52.501 53.050 0.040 0.000 0.894 117 N CB 0.859 39.418 38.487 0.120 0.000 1.173 117 N HN -0.153 nan 8.380 nan 0.000 0.487 118 N N 0.077 118.741 118.700 -0.058 0.000 2.238 118 N HA 0.204 5.186 4.740 0.404 0.000 0.222 118 N C -0.046 175.453 175.510 -0.018 0.000 1.133 118 N CA -0.321 52.671 53.050 -0.096 0.000 0.854 118 N CB 0.210 38.657 38.487 -0.067 0.000 1.041 118 N HN 0.750 nan 8.380 nan 0.000 0.510 119 G N 0.039 108.859 108.800 0.033 0.000 2.537 119 G HA2 0.251 4.453 3.960 0.404 0.000 0.273 119 G HA3 0.251 4.453 3.960 0.404 0.000 0.273 119 G C -1.513 173.462 174.900 0.125 0.000 1.189 119 G CA -0.930 44.213 45.100 0.071 0.000 0.881 119 G HN 0.074 nan 8.290 nan 0.000 0.535 120 P HA -0.016 nan 4.420 nan 0.000 0.233 120 P C 1.544 178.897 177.300 0.089 0.000 1.167 120 P CA 1.038 64.196 63.100 0.098 0.000 0.770 120 P CB 0.145 31.880 31.700 0.057 0.000 0.837 121 T N -5.585 109.016 114.554 0.078 0.000 3.088 121 T HA -0.064 4.528 4.350 0.404 0.000 0.259 121 T C 1.482 176.210 174.700 0.046 0.000 1.122 121 T CA -0.252 61.859 62.100 0.019 0.000 1.095 121 T CB -0.886 67.966 68.868 -0.026 0.000 0.930 121 T HN 0.100 nan 8.240 nan 0.000 0.508 122 W N 2.749 124.026 121.300 -0.039 0.000 2.358 122 W HA -0.001 4.895 4.660 0.394 0.000 0.303 122 W C 2.139 178.644 176.519 -0.024 0.000 1.208 122 W CA 1.103 58.426 57.345 -0.036 0.000 1.274 122 W CB -0.157 29.285 29.460 -0.030 0.000 1.138 122 W HN 0.191 nan 8.180 nan 0.000 0.515 123 K N 0.280 120.443 120.400 -0.395 0.000 2.009 123 K HA -0.240 4.322 4.320 0.404 0.000 0.210 123 K C 1.558 177.876 176.600 -0.470 0.000 1.049 123 K CA 2.515 58.377 56.287 -0.708 0.000 0.929 123 K CB -0.519 31.821 32.500 -0.267 0.000 0.714 123 K HN 0.143 nan 8.250 nan 0.000 0.440 124 D N 0.457 120.719 120.400 -0.231 0.000 2.097 124 D HA -0.103 4.780 4.640 0.404 0.000 0.197 124 D C 1.905 178.156 176.300 -0.082 0.000 0.984 124 D CA 1.392 55.324 54.000 -0.115 0.000 0.826 124 D CB 0.013 40.790 40.800 -0.038 0.000 0.973 124 D HN 0.210 nan 8.370 nan 0.000 0.460 125 I N 0.604 121.086 120.570 -0.146 0.000 2.226 125 I HA -0.253 4.159 4.170 0.404 0.000 0.245 125 I C 2.526 178.598 176.117 -0.075 0.000 1.100 125 I CA 0.962 62.199 61.300 -0.106 0.000 1.374 125 I CB -0.257 37.646 38.000 -0.162 0.000 1.057 125 I HN 0.002 nan 8.210 nan 0.000 0.413 126 R N 1.206 121.559 120.500 -0.246 0.000 2.075 126 R HA -0.192 4.390 4.340 0.404 0.000 0.232 126 R C 2.461 178.662 176.300 -0.166 0.000 1.126 126 R CA 1.409 57.359 56.100 -0.250 0.000 0.963 126 R CB -0.181 29.795 30.300 -0.540 0.000 0.858 126 R HN 0.195 nan 8.270 nan 0.000 0.435 127 R N -0.599 119.792 120.500 -0.181 0.000 2.073 127 R HA -0.167 4.415 4.340 0.404 0.000 0.234 127 R C 2.094 178.387 176.300 -0.011 0.000 1.134 127 R CA 1.999 58.038 56.100 -0.101 0.000 0.952 127 R CB -0.390 29.861 30.300 -0.082 0.000 0.850 127 R HN 0.273 nan 8.270 nan 0.000 0.433 128 F N 0.432 120.347 119.950 -0.059 0.000 2.186 128 F HA -0.115 4.655 4.527 0.405 0.000 0.299 128 F C 2.293 178.090 175.800 -0.005 0.000 1.090 128 F CA 1.453 59.449 58.000 -0.006 0.000 1.307 128 F CB -0.079 38.954 39.000 0.056 0.000 1.019 128 F HN -0.030 nan 8.300 nan 0.000 0.489 129 S N 0.672 116.491 115.700 0.197 0.000 2.382 129 S HA -0.150 4.562 4.470 0.404 0.000 0.228 129 S C 2.084 176.658 174.600 -0.044 0.000 1.027 129 S CA 1.243 59.505 58.200 0.104 0.000 0.991 129 S CB -0.427 62.815 63.200 0.070 0.000 0.823 129 S HN 0.345 nan 8.310 nan 0.000 0.469 130 L N 0.441 121.622 121.223 -0.071 0.000 2.056 130 L HA -0.110 4.473 4.340 0.404 0.000 0.207 130 L C 2.704 179.498 176.870 -0.126 0.000 1.078 130 L CA 1.174 55.961 54.840 -0.088 0.000 0.749 130 L CB -0.977 41.034 42.059 -0.079 0.000 0.901 130 L HN 0.295 nan 8.230 nan 0.000 0.433 131 T N -0.976 113.453 114.554 -0.208 0.000 2.708 131 T HA -0.182 4.410 4.350 0.404 0.000 0.266 131 T C 1.877 176.446 174.700 -0.219 0.000 1.037 131 T CA 2.022 63.977 62.100 -0.241 0.000 1.146 131 T CB -0.105 68.523 68.868 -0.401 0.000 0.865 131 T HN 0.341 nan 8.240 nan 0.000 0.435 132 T N 2.114 116.483 114.554 -0.307 0.000 2.746 132 T HA 0.046 4.638 4.350 0.404 0.000 0.267 132 T C 1.955 176.640 174.700 -0.025 0.000 1.039 132 T CA 0.800 62.819 62.100 -0.136 0.000 1.142 132 T CB -0.391 68.406 68.868 -0.118 0.000 0.866 132 T HN 0.206 nan 8.240 nan 0.000 0.444 133 L N 0.551 121.727 121.223 -0.078 0.000 2.046 133 L HA -0.083 4.499 4.340 0.404 0.000 0.208 133 L C 2.905 179.783 176.870 0.013 0.000 1.077 133 L CA 1.339 56.145 54.840 -0.057 0.000 0.747 133 L CB -0.343 41.679 42.059 -0.062 0.000 0.896 133 L HN 0.172 nan 8.230 nan 0.000 0.432 134 R N -0.107 120.387 120.500 -0.009 0.000 2.075 134 R HA -0.171 4.412 4.340 0.404 0.000 0.232 134 R C 2.023 178.346 176.300 0.039 0.000 1.126 134 R CA 1.544 57.646 56.100 0.004 0.000 0.963 134 R CB -0.158 30.125 30.300 -0.029 0.000 0.858 134 R HN 0.365 nan 8.270 nan 0.000 0.435 135 N N 0.182 118.913 118.700 0.051 0.000 2.104 135 N HA -0.192 4.790 4.740 0.404 0.000 0.190 135 N C 1.585 177.146 175.510 0.085 0.000 1.024 135 N CA 1.482 54.564 53.050 0.053 0.000 0.853 135 N CB -0.521 38.000 38.487 0.057 0.000 1.008 135 N HN 0.339 nan 8.380 nan 0.000 0.424 136 Y N 0.481 120.766 120.300 -0.025 0.000 2.163 136 Y HA -0.097 4.695 4.550 0.403 0.000 0.288 136 Y C 2.547 178.450 175.900 0.006 0.000 1.136 136 Y CA 1.263 59.360 58.100 -0.004 0.000 1.147 136 Y CB -0.505 37.957 38.460 0.004 0.000 0.987 136 Y HN 0.115 nan 8.280 nan 0.000 0.509 137 G N 0.082 108.986 108.800 0.173 0.000 2.404 137 G HA2 -0.278 3.925 3.960 0.404 0.000 0.215 137 G HA3 -0.278 3.925 3.960 0.404 0.000 0.215 137 G C 1.662 176.596 174.900 0.056 0.000 1.174 137 G CA 1.147 46.308 45.100 0.101 0.000 0.780 137 G HN 0.466 nan 8.290 nan 0.000 0.537 138 M N 0.171 119.791 119.600 0.034 0.000 2.098 138 M HA 0.252 4.974 4.480 0.404 0.000 0.262 138 M C 2.151 178.455 176.300 0.007 0.000 1.072 138 M CA 2.284 57.593 55.300 0.015 0.000 1.133 138 M CB -0.201 32.400 32.600 0.003 0.000 1.344 138 M HN 0.014 nan 8.290 nan 0.000 0.414 139 G N -0.133 108.663 108.800 -0.007 0.000 3.393 139 G HA2 0.157 4.359 3.960 0.404 0.000 0.255 139 G HA3 0.157 4.359 3.960 0.404 0.000 0.255 139 G C 0.760 175.636 174.900 -0.039 0.000 1.097 139 G CA -0.337 44.750 45.100 -0.022 0.000 0.780 139 G HN 0.242 nan 8.290 nan 0.000 0.540 140 K N 0.518 120.891 120.400 -0.044 0.000 2.570 140 K HA 0.215 4.778 4.320 0.404 0.000 0.210 140 K C 0.807 177.395 176.600 -0.019 0.000 1.048 140 K CA -0.123 56.125 56.287 -0.065 0.000 1.167 140 K CB 0.188 32.610 32.500 -0.131 0.000 0.892 140 K HN 0.426 nan 8.250 nan 0.000 0.480 141 Q N -2.059 117.738 119.800 -0.005 0.000 2.676 141 Q HA -0.178 4.405 4.340 0.404 0.000 0.154 141 Q C 0.462 176.479 176.000 0.028 0.000 0.594 141 Q CA 0.772 56.582 55.803 0.012 0.000 1.222 141 Q CB -1.346 27.402 28.738 0.017 0.000 1.001 141 Q HN 0.565 nan 8.270 nan 0.000 1.091 142 G N 0.154 108.973 108.800 0.031 0.000 2.728 142 G HA2 -0.253 3.949 3.960 0.404 0.000 0.294 142 G HA3 -0.253 3.949 3.960 0.404 0.000 0.294 142 G C -0.040 174.909 174.900 0.081 0.000 1.342 142 G CA -0.041 45.090 45.100 0.053 0.000 0.866 142 G HN 0.075 nan 8.290 nan 0.000 0.534 143 N N 0.067 118.821 118.700 0.091 0.000 2.244 143 N HA -0.076 4.907 4.740 0.404 0.000 0.183 143 N C 1.982 177.560 175.510 0.113 0.000 1.016 143 N CA 1.514 54.630 53.050 0.111 0.000 0.866 143 N CB -0.209 38.339 38.487 0.102 0.000 0.980 143 N HN 0.746 nan 8.380 nan 0.000 0.430 144 E N 0.799 121.057 120.200 0.097 0.000 2.085 144 E HA -0.112 4.480 4.350 0.404 0.000 0.194 144 E C 1.628 178.295 176.600 0.110 0.000 0.994 144 E CA 1.028 57.492 56.400 0.106 0.000 0.801 144 E CB 0.138 29.891 29.700 0.088 0.000 0.743 144 E HN 0.141 nan 8.360 nan 0.000 0.453 145 S N 0.117 115.874 115.700 0.095 0.000 2.368 145 S HA -0.177 4.536 4.470 0.404 0.000 0.225 145 S C 1.872 176.546 174.600 0.122 0.000 1.030 145 S CA 1.227 59.484 58.200 0.095 0.000 0.999 145 S CB -0.247 62.998 63.200 0.075 0.000 0.844 145 S HN 0.256 nan 8.310 nan 0.000 0.459 146 R N 0.588 121.168 120.500 0.134 0.000 2.073 146 R HA -0.018 4.564 4.340 0.404 0.000 0.234 146 R C 2.158 178.574 176.300 0.194 0.000 1.134 146 R CA 1.470 57.671 56.100 0.167 0.000 0.952 146 R CB -0.359 30.042 30.300 0.168 0.000 0.850 146 R HN 0.387 nan 8.270 nan 0.000 0.433 147 I N 0.678 121.354 120.570 0.177 0.000 2.315 147 I HA -0.282 4.130 4.170 0.404 0.000 0.248 147 I C 2.392 178.627 176.117 0.197 0.000 1.117 147 I CA 1.273 62.687 61.300 0.191 0.000 1.404 147 I CB -0.292 37.812 38.000 0.173 0.000 1.071 147 I HN 0.302 nan 8.210 nan 0.000 0.419 148 Q N 0.209 120.112 119.800 0.171 0.000 2.124 148 Q HA -0.248 4.335 4.340 0.404 0.000 0.202 148 Q C 2.300 178.408 176.000 0.179 0.000 0.977 148 Q CA 1.294 57.192 55.803 0.158 0.000 0.850 148 Q CB -0.228 28.587 28.738 0.128 0.000 0.901 148 Q HN 0.274 nan 8.270 nan 0.000 0.429 149 R N 1.235 121.854 120.500 0.198 0.000 2.092 149 R HA -0.139 4.443 4.340 0.404 0.000 0.231 149 R C 1.793 178.331 176.300 0.397 0.000 1.119 149 R CA 1.400 57.642 56.100 0.235 0.000 0.970 149 R CB -0.195 30.238 30.300 0.223 0.000 0.864 149 R HN 0.113 nan 8.270 nan 0.000 0.440 150 E N -0.135 120.315 120.200 0.416 0.000 2.153 150 E HA -0.048 4.545 4.350 0.404 0.000 0.194 150 E C 1.640 178.509 176.600 0.448 0.000 0.988 150 E CA 1.424 58.140 56.400 0.526 0.000 0.811 150 E CB -0.297 29.636 29.700 0.388 0.000 0.746 150 E HN 0.389 nan 8.360 nan 0.000 0.466 151 A N 0.441 123.441 122.820 0.299 0.000 1.978 151 A HA -0.253 4.310 4.320 0.404 0.000 0.220 151 A C 2.186 179.870 177.584 0.167 0.000 1.170 151 A CA 1.820 53.981 52.037 0.206 0.000 0.636 151 A CB -0.978 18.104 19.000 0.137 0.000 0.810 151 A HN 0.569 nan 8.150 nan 0.000 0.448 152 H N -1.336 117.779 119.070 0.075 0.000 2.353 152 H HA -0.153 4.645 4.556 0.403 0.000 0.300 152 H C 1.779 177.051 175.328 -0.094 0.000 1.090 152 H CA 2.062 58.066 56.048 -0.073 0.000 1.327 152 H CB -0.303 29.329 29.762 -0.217 0.000 1.383 152 H HN 0.482 nan 8.280 nan 0.000 0.508 153 F N 0.374 120.328 119.950 0.007 0.000 2.146 153 F HA -0.135 4.634 4.527 0.403 0.000 0.298 153 F C 2.675 178.396 175.800 -0.132 0.000 1.096 153 F CA 0.695 58.614 58.000 -0.135 0.000 1.275 153 F CB -0.528 38.499 39.000 0.046 0.000 1.008 153 F HN 0.158 nan 8.300 nan 0.000 0.480 154 L N 0.191 121.589 121.223 0.292 0.000 2.017 154 L HA -0.173 4.409 4.340 0.404 0.000 0.208 154 L C 2.066 179.023 176.870 0.145 0.000 1.073 154 L CA 1.748 56.768 54.840 0.300 0.000 0.745 154 L CB -0.880 41.352 42.059 0.290 0.000 0.894 154 L HN 0.115 nan 8.230 nan 0.000 0.432 155 L N -0.721 120.544 121.223 0.071 0.000 2.131 155 L HA -0.218 4.364 4.340 0.404 0.000 0.210 155 L C 2.548 179.457 176.870 0.065 0.000 1.092 155 L CA 1.592 56.492 54.840 0.099 0.000 0.759 155 L CB -0.610 41.456 42.059 0.012 0.000 0.903 155 L HN 0.467 nan 8.230 nan 0.000 0.435 156 E N 0.527 120.669 120.200 -0.098 0.000 2.051 156 E HA -0.243 4.350 4.350 0.404 0.000 0.192 156 E C 2.248 178.824 176.600 -0.041 0.000 0.991 156 E CA 1.270 57.595 56.400 -0.125 0.000 0.799 156 E CB 0.007 29.523 29.700 -0.305 0.000 0.748 156 E HN 0.440 nan 8.360 nan 0.000 0.449 157 A N 1.047 123.847 122.820 -0.034 0.000 1.933 157 A HA -0.147 4.415 4.320 0.404 0.000 0.218 157 A C 2.215 179.798 177.584 -0.002 0.000 1.175 157 A CA 1.053 53.103 52.037 0.021 0.000 0.628 157 A CB -0.626 18.463 19.000 0.148 0.000 0.814 157 A HN 0.328 nan 8.150 nan 0.000 0.444 158 L N -1.371 119.844 121.223 -0.014 0.000 2.093 158 L HA -0.157 4.426 4.340 0.404 0.000 0.208 158 L C 2.873 179.693 176.870 -0.085 0.000 1.085 158 L CA 1.208 55.946 54.840 -0.170 0.000 0.755 158 L CB -0.388 41.471 42.059 -0.334 0.000 0.904 158 L HN 0.381 nan 8.230 nan 0.000 0.435 159 R N 0.149 120.720 120.500 0.118 0.000 2.081 159 R HA -0.150 4.432 4.340 0.404 0.000 0.235 159 R C 2.207 178.534 176.300 0.045 0.000 1.131 159 R CA 1.209 57.414 56.100 0.176 0.000 0.960 159 R CB -0.088 30.293 30.300 0.136 0.000 0.856 159 R HN 0.309 nan 8.270 nan 0.000 0.436 160 K N -0.118 120.280 120.400 -0.003 0.000 2.280 160 K HA -0.103 4.460 4.320 0.404 0.000 0.202 160 K C 1.983 178.548 176.600 -0.059 0.000 1.047 160 K CA 1.654 57.929 56.287 -0.020 0.000 0.942 160 K CB -0.122 32.373 32.500 -0.009 0.000 0.739 160 K HN 0.375 nan 8.250 nan 0.000 0.457 161 T N -1.525 112.943 114.554 -0.144 0.000 2.833 161 T HA -0.192 4.400 4.350 0.404 0.000 0.269 161 T C 0.794 175.419 174.700 -0.125 0.000 1.054 161 T CA 0.563 62.519 62.100 -0.240 0.000 1.135 161 T CB -0.252 68.249 68.868 -0.612 0.000 0.869 161 T HN 0.226 nan 8.240 nan 0.000 0.466 162 Q N 0.485 120.251 119.800 -0.057 0.000 2.452 162 Q HA -0.097 4.485 4.340 0.404 0.000 0.318 162 Q C 0.793 176.802 176.000 0.015 0.000 1.386 162 Q CA 0.546 56.352 55.803 0.004 0.000 0.872 162 Q CB -1.880 26.863 28.738 0.008 0.000 1.151 162 Q HN 1.090 nan 8.270 nan 0.000 0.417 163 G N -0.340 108.475 108.800 0.025 0.000 2.305 163 G HA2 -0.319 3.883 3.960 0.404 0.000 0.287 163 G HA3 -0.319 3.883 3.960 0.404 0.000 0.287 163 G C -0.170 174.771 174.900 0.069 0.000 1.036 163 G CA 0.645 45.788 45.100 0.071 0.000 0.887 163 G HN 0.352 nan 8.290 nan 0.000 0.505 164 Q N -0.966 118.864 119.800 0.051 0.000 2.433 164 Q HA 0.477 5.060 4.340 0.404 0.000 0.279 164 Q C -2.672 173.432 176.000 0.173 0.000 1.105 164 Q CA -1.888 53.964 55.803 0.081 0.000 0.815 164 Q CB 2.486 31.250 28.738 0.043 0.000 1.403 164 Q HN 0.152 nan 8.270 nan 0.000 0.435 165 P HA 0.228 nan 4.420 nan 0.000 0.276 165 P C -1.076 176.434 177.300 0.350 0.000 1.230 165 P CA 0.163 63.419 63.100 0.259 0.000 0.776 165 P CB 0.085 31.861 31.700 0.126 0.000 0.888 166 F N -0.607 119.339 119.950 -0.007 0.000 2.645 166 F HA 0.604 5.374 4.527 0.404 0.000 0.310 166 F C -1.002 174.752 175.800 -0.075 0.000 1.102 166 F CA -1.442 56.541 58.000 -0.028 0.000 0.952 166 F CB 1.404 40.394 39.000 -0.018 0.000 1.326 166 F HN 0.035 nan 8.300 nan 0.000 0.456 167 D N 2.309 122.619 120.400 -0.151 0.000 2.280 167 D HA 0.409 5.292 4.640 0.404 0.000 0.243 167 D C -2.072 174.022 176.300 -0.343 0.000 1.129 167 D CA -2.535 51.256 54.000 -0.348 0.000 0.848 167 D CB 1.894 42.551 40.800 -0.240 0.000 1.107 167 D HN 0.271 nan 8.370 nan 0.000 0.471 168 P HA 0.054 nan 4.420 nan 0.000 0.249 168 P C 0.912 178.059 177.300 -0.254 0.000 1.229 168 P CA 0.386 63.294 63.100 -0.320 0.000 0.788 168 P CB 0.419 31.877 31.700 -0.404 0.000 1.072 169 T N -1.033 113.275 114.554 -0.410 0.000 2.708 169 T HA -0.103 4.489 4.350 0.404 0.000 0.266 169 T C 1.098 175.565 174.700 -0.389 0.000 1.037 169 T CA 1.393 63.190 62.100 -0.506 0.000 1.146 169 T CB -0.870 67.494 68.868 -0.840 0.000 0.865 169 T HN 0.193 nan 8.240 nan 0.000 0.435 170 F N -0.275 119.619 119.950 -0.093 0.000 2.693 170 F HA 0.386 5.155 4.527 0.403 0.000 0.303 170 F C 1.540 177.269 175.800 -0.118 0.000 1.097 170 F CA -0.596 57.330 58.000 -0.124 0.000 1.330 170 F CB 0.222 39.154 39.000 -0.112 0.000 1.067 170 F HN 0.041 nan 8.300 nan 0.000 0.565 171 L N -0.304 120.967 121.223 0.079 0.000 2.349 171 L HA 0.109 4.691 4.340 0.404 0.000 0.200 171 L C 2.003 178.897 176.870 0.041 0.000 1.064 171 L CA 1.123 56.020 54.840 0.095 0.000 0.821 171 L CB -0.461 41.731 42.059 0.221 0.000 1.027 171 L HN -0.081 nan 8.230 nan 0.000 0.476 172 I N 0.270 120.869 120.570 0.047 0.000 2.226 172 I HA -0.132 4.280 4.170 0.404 0.000 0.245 172 I C 2.382 178.513 176.117 0.023 0.000 1.100 172 I CA 1.530 62.863 61.300 0.055 0.000 1.374 172 I CB -1.987 36.035 38.000 0.035 0.000 1.057 172 I HN 0.367 nan 8.210 nan 0.000 0.413 173 G N -0.909 107.879 108.800 -0.019 0.000 2.598 173 G HA2 -0.170 4.033 3.960 0.404 0.000 0.215 173 G HA3 -0.170 4.033 3.960 0.404 0.000 0.215 173 G C 1.759 176.613 174.900 -0.077 0.000 1.131 173 G CA 0.593 45.681 45.100 -0.020 0.000 0.785 173 G HN 0.392 nan 8.290 nan 0.000 0.539 174 C N 0.625 119.811 119.300 -0.190 0.000 2.425 174 C HA 0.152 4.855 4.460 0.404 0.000 0.277 174 C C 3.452 178.431 174.990 -0.018 0.000 1.280 174 C CA 0.840 59.675 59.018 -0.304 0.000 1.744 174 C CB -0.798 26.339 27.740 -1.005 0.000 1.989 174 C HN 0.583 nan 8.230 nan 0.000 0.491 175 A N 1.775 124.631 122.820 0.061 0.000 1.877 175 A HA -0.079 4.484 4.320 0.404 0.000 0.216 175 A C 0.348 178.044 177.584 0.187 0.000 1.186 175 A CA 1.902 54.057 52.037 0.196 0.000 0.620 175 A CB -1.796 17.334 19.000 0.218 0.000 0.822 175 A HN 0.483 nan 8.150 nan 0.000 0.443 176 P HA -0.129 nan 4.420 nan 0.000 0.216 176 P C 1.880 179.286 177.300 0.177 0.000 1.153 176 P CA 1.383 64.572 63.100 0.149 0.000 0.848 176 P CB -0.422 31.346 31.700 0.112 0.000 0.787 177 C N -0.257 119.151 119.300 0.181 0.000 2.446 177 C HA -0.034 4.668 4.460 0.404 0.000 0.277 177 C C 2.622 177.866 174.990 0.422 0.000 1.275 177 C CA 1.082 60.263 59.018 0.271 0.000 1.727 177 C CB -2.090 25.763 27.740 0.189 0.000 2.010 177 C HN 0.137 nan 8.230 nan 0.000 0.486 178 N N 0.585 119.507 118.700 0.371 0.000 2.120 178 N HA -0.096 4.887 4.740 0.404 0.000 0.188 178 N C 1.740 177.414 175.510 0.273 0.000 1.024 178 N CA 1.589 54.809 53.050 0.283 0.000 0.852 178 N CB -0.556 37.989 38.487 0.097 0.000 1.003 178 N HN 0.422 nan 8.380 nan 0.000 0.424 179 V N 1.079 121.148 119.914 0.258 0.000 2.343 179 V HA -0.183 4.179 4.120 0.404 0.000 0.247 179 V C 2.241 178.475 176.094 0.234 0.000 1.051 179 V CA 1.041 63.483 62.300 0.236 0.000 1.036 179 V CB -0.378 31.570 31.823 0.209 0.000 0.654 179 V HN 0.224 nan 8.190 nan 0.000 0.451 180 I N 0.676 121.405 120.570 0.265 0.000 2.394 180 I HA -0.122 4.291 4.170 0.404 0.000 0.251 180 I C 2.323 178.635 176.117 0.325 0.000 1.136 180 I CA 1.620 63.086 61.300 0.275 0.000 1.425 180 I CB -0.663 37.541 38.000 0.340 0.000 1.079 180 I HN 0.172 nan 8.210 nan 0.000 0.425 181 A N -0.449 122.639 122.820 0.446 0.000 1.930 181 A HA -0.254 4.309 4.320 0.404 0.000 0.217 181 A C 2.095 179.870 177.584 0.319 0.000 1.175 181 A CA 2.035 54.373 52.037 0.501 0.000 0.627 181 A CB -1.016 18.344 19.000 0.600 0.000 0.815 181 A HN 0.510 nan 8.150 nan 0.000 0.443 182 D N -0.201 120.350 120.400 0.252 0.000 2.097 182 D HA -0.110 4.772 4.640 0.404 0.000 0.195 182 D C 1.798 178.190 176.300 0.153 0.000 0.989 182 D CA 1.410 55.535 54.000 0.208 0.000 0.827 182 D CB -0.155 40.775 40.800 0.217 0.000 0.966 182 D HN 0.470 nan 8.370 nan 0.000 0.456 183 I N -0.192 120.436 120.570 0.098 0.000 2.226 183 I HA -0.225 4.188 4.170 0.404 0.000 0.245 183 I C 2.013 177.991 176.117 -0.231 0.000 1.100 183 I CA 0.485 61.749 61.300 -0.059 0.000 1.374 183 I CB -0.144 37.789 38.000 -0.111 0.000 1.057 183 I HN 0.135 nan 8.210 nan 0.000 0.413 184 L N -0.271 120.801 121.223 -0.252 0.000 2.044 184 L HA -0.106 4.477 4.340 0.404 0.000 0.205 184 L C 1.425 177.862 176.870 -0.722 0.000 1.075 184 L CA 2.166 56.641 54.840 -0.608 0.000 0.747 184 L CB -0.409 41.110 42.059 -0.899 0.000 0.903 184 L HN 0.153 nan 8.230 nan 0.000 0.435 185 F N -2.400 117.609 119.950 0.099 0.000 2.838 185 F HA 0.363 5.133 4.527 0.405 0.000 0.329 185 F C 0.866 176.758 175.800 0.153 0.000 1.116 185 F CA -0.571 57.547 58.000 0.195 0.000 1.155 185 F CB -0.143 38.916 39.000 0.099 0.000 1.106 185 F HN -0.168 nan 8.300 nan 0.000 0.538 186 R N 2.064 122.706 120.500 0.236 0.000 3.251 186 R HA -0.229 4.354 4.340 0.404 0.000 0.249 186 R C -0.519 175.878 176.300 0.161 0.000 0.949 186 R CA 0.553 56.763 56.100 0.183 0.000 0.645 186 R CB -0.977 29.404 30.300 0.136 0.000 1.065 186 R HN 0.480 nan 8.270 nan 0.000 0.452 187 K N 0.079 120.574 120.400 0.158 0.000 2.400 187 K HA 0.353 4.915 4.320 0.404 0.000 0.246 187 K C -1.374 175.212 176.600 -0.023 0.000 0.995 187 K CA -0.884 55.404 56.287 0.002 0.000 0.840 187 K CB 1.268 33.693 32.500 -0.125 0.000 1.293 187 K HN 0.319 nan 8.250 nan 0.000 0.445 188 H N 3.404 122.293 119.070 -0.302 0.000 3.021 188 H HA 0.237 5.035 4.556 0.404 0.000 0.293 188 H C -1.368 173.741 175.328 -0.366 0.000 1.244 188 H CA -0.501 55.392 56.048 -0.259 0.000 1.596 188 H CB -0.150 29.529 29.762 -0.139 0.000 1.720 188 H HN 0.414 nan 8.280 nan 0.000 0.537 189 F N 1.625 121.247 119.950 -0.545 0.000 2.496 189 F HA 0.064 4.833 4.527 0.403 0.000 0.344 189 F C 1.295 176.798 175.800 -0.496 0.000 1.155 189 F CA 0.057 57.678 58.000 -0.630 0.000 1.302 189 F CB 0.495 38.628 39.000 -1.445 0.000 1.159 189 F HN 0.474 nan 8.300 nan 0.000 0.595 190 D N 0.038 120.451 120.400 0.021 0.000 2.313 190 D HA 0.096 4.978 4.640 0.404 0.000 0.247 190 D C 0.241 176.751 176.300 0.350 0.000 1.094 190 D CA -0.217 53.888 54.000 0.175 0.000 0.925 190 D CB 0.516 41.417 40.800 0.168 0.000 1.188 190 D HN 0.360 nan 8.370 nan 0.000 0.430 191 Y N 1.090 121.504 120.300 0.191 0.000 2.632 191 Y HA 0.081 4.874 4.550 0.404 0.000 0.301 191 Y C 0.948 176.997 175.900 0.248 0.000 1.172 191 Y CA 0.530 58.813 58.100 0.304 0.000 1.328 191 Y CB -0.559 38.040 38.460 0.233 0.000 1.016 191 Y HN 0.442 nan 8.280 nan 0.000 0.529 192 N N -0.704 118.201 118.700 0.341 0.000 2.159 192 N HA -0.012 4.970 4.740 0.404 0.000 0.217 192 N C -0.439 175.169 175.510 0.164 0.000 1.223 192 N CA -0.143 53.034 53.050 0.211 0.000 0.896 192 N CB 0.464 39.047 38.487 0.158 0.000 1.064 192 N HN 0.217 nan 8.380 nan 0.000 0.518 193 D N 0.961 121.482 120.400 0.201 0.000 2.372 193 D HA -0.006 4.876 4.640 0.404 0.000 0.243 193 D C 0.386 176.756 176.300 0.116 0.000 1.121 193 D CA 0.130 54.223 54.000 0.155 0.000 0.898 193 D CB 1.460 42.364 40.800 0.174 0.000 1.202 193 D HN 0.145 nan 8.370 nan 0.000 0.428 194 E N 0.787 121.023 120.200 0.060 0.000 2.077 194 E HA -0.217 4.375 4.350 0.404 0.000 0.193 194 E C 1.586 178.171 176.600 -0.026 0.000 0.989 194 E CA 1.115 57.511 56.400 -0.007 0.000 0.800 194 E CB 0.044 29.735 29.700 -0.016 0.000 0.746 194 E HN 0.327 nan 8.360 nan 0.000 0.452 195 K N 0.549 120.975 120.400 0.043 0.000 2.097 195 K HA -0.146 4.416 4.320 0.404 0.000 0.206 195 K C 1.711 178.257 176.600 -0.090 0.000 1.049 195 K CA 0.802 57.103 56.287 0.023 0.000 0.933 195 K CB -0.396 32.212 32.500 0.180 0.000 0.717 195 K HN 0.030 nan 8.250 nan 0.000 0.442 196 F N 1.086 120.869 119.950 -0.279 0.000 2.075 196 F HA -0.122 4.646 4.527 0.403 0.000 0.297 196 F C 1.536 177.059 175.800 -0.461 0.000 1.113 196 F CA 1.403 59.067 58.000 -0.559 0.000 1.218 196 F CB -0.561 38.195 39.000 -0.407 0.000 0.984 196 F HN -0.049 nan 8.300 nan 0.000 0.472 197 L N -0.320 120.687 121.223 -0.359 0.000 2.083 197 L HA -0.213 4.369 4.340 0.404 0.000 0.209 197 L C 2.562 179.121 176.870 -0.519 0.000 1.083 197 L CA 1.518 56.039 54.840 -0.531 0.000 0.752 197 L CB -0.781 41.038 42.059 -0.399 0.000 0.899 197 L HN 0.097 nan 8.230 nan 0.000 0.433 198 R N 0.577 120.855 120.500 -0.370 0.000 2.081 198 R HA -0.135 4.447 4.340 0.404 0.000 0.235 198 R C 2.146 178.222 176.300 -0.374 0.000 1.131 198 R CA 1.421 57.342 56.100 -0.299 0.000 0.960 198 R CB -0.468 29.708 30.300 -0.206 0.000 0.856 198 R HN 0.117 nan 8.270 nan 0.000 0.436 199 L N 0.046 120.953 121.223 -0.527 0.000 2.046 199 L HA -0.105 4.478 4.340 0.404 0.000 0.208 199 L C 2.285 178.508 176.870 -1.079 0.000 1.077 199 L CA 1.834 56.178 54.840 -0.827 0.000 0.747 199 L CB -0.930 40.605 42.059 -0.874 0.000 0.896 199 L HN 0.360 nan 8.230 nan 0.000 0.432 200 M N -2.108 117.032 119.600 -0.767 0.000 2.132 200 M HA -0.264 4.459 4.480 0.404 0.000 0.263 200 M C 2.323 178.480 176.300 -0.239 0.000 1.065 200 M CA 1.642 56.651 55.300 -0.484 0.000 1.122 200 M CB -0.506 31.826 32.600 -0.446 0.000 1.365 200 M HN 0.141 nan 8.290 nan 0.000 0.411 201 Y N 1.070 121.091 120.300 -0.465 0.000 2.181 201 Y HA -0.205 4.588 4.550 0.405 0.000 0.288 201 Y C 1.776 177.589 175.900 -0.144 0.000 1.146 201 Y CA 1.621 59.549 58.100 -0.288 0.000 1.164 201 Y CB -0.274 37.942 38.460 -0.407 0.000 0.982 201 Y HN 0.093 nan 8.280 nan 0.000 0.515 202 L N -1.382 119.707 121.223 -0.223 0.000 2.093 202 L HA -0.200 4.383 4.340 0.404 0.000 0.208 202 L C 2.165 178.951 176.870 -0.141 0.000 1.085 202 L CA 0.817 55.508 54.840 -0.247 0.000 0.755 202 L CB -0.696 41.232 42.059 -0.219 0.000 0.904 202 L HN 0.172 nan 8.230 nan 0.000 0.435 203 F N 0.426 120.267 119.950 -0.181 0.000 2.134 203 F HA -0.202 4.571 4.527 0.410 0.000 0.299 203 F C 2.424 178.182 175.800 -0.069 0.000 1.097 203 F CA 1.293 59.202 58.000 -0.153 0.000 1.264 203 F CB -1.169 37.757 39.000 -0.123 0.000 1.001 203 F HN 0.162 nan 8.300 nan 0.000 0.479 204 N N 0.128 118.915 118.700 0.145 0.000 2.142 204 N HA -0.210 4.773 4.740 0.404 0.000 0.186 204 N C 1.876 177.392 175.510 0.010 0.000 1.023 204 N CA 1.315 54.426 53.050 0.103 0.000 0.852 204 N CB -0.166 38.372 38.487 0.084 0.000 0.998 204 N HN 0.372 nan 8.380 nan 0.000 0.424 205 E N -0.209 119.876 120.200 -0.191 0.000 2.110 205 E HA -0.172 4.420 4.350 0.404 0.000 0.193 205 E C 1.337 177.883 176.600 -0.090 0.000 0.988 205 E CA 1.107 57.360 56.400 -0.245 0.000 0.804 205 E CB -0.016 29.402 29.700 -0.470 0.000 0.745 205 E HN 0.350 nan 8.360 nan 0.000 0.458 206 N N -0.027 118.629 118.700 -0.074 0.000 2.142 206 N HA -0.131 4.852 4.740 0.404 0.000 0.186 206 N C 1.492 177.035 175.510 0.054 0.000 1.023 206 N CA 0.756 53.763 53.050 -0.072 0.000 0.852 206 N CB -0.441 37.948 38.487 -0.162 0.000 0.998 206 N HN 0.210 nan 8.380 nan 0.000 0.424 207 F N 2.203 122.122 119.950 -0.052 0.000 2.171 207 F HA -0.133 4.634 4.527 0.399 0.000 0.300 207 F C 2.491 178.298 175.800 0.011 0.000 1.090 207 F CA 1.124 59.124 58.000 -0.001 0.000 1.293 207 F CB -0.824 38.211 39.000 0.059 0.000 1.013 207 F HN 0.234 nan 8.300 nan 0.000 0.486 208 H N 0.443 119.530 119.070 0.029 0.000 2.321 208 H HA -0.115 4.684 4.556 0.404 0.000 0.300 208 H C 2.330 177.563 175.328 -0.158 0.000 1.087 208 H CA 2.023 58.017 56.048 -0.090 0.000 1.319 208 H CB -0.443 29.270 29.762 -0.081 0.000 1.379 208 H HN 0.295 nan 8.280 nan 0.000 0.501 209 L N 0.407 121.705 121.223 0.125 0.000 2.141 209 L HA -0.135 4.447 4.340 0.404 0.000 0.209 209 L C 2.747 179.580 176.870 -0.062 0.000 1.094 209 L CA 0.482 55.337 54.840 0.024 0.000 0.763 209 L CB -0.241 41.819 42.059 0.002 0.000 0.908 209 L HN 0.219 nan 8.230 nan 0.000 0.437 210 L N -1.058 120.132 121.223 -0.056 0.000 2.551 210 L HA -0.078 4.504 4.340 0.404 0.000 0.228 210 L C 1.550 178.427 176.870 0.012 0.000 1.153 210 L CA 0.446 55.236 54.840 -0.083 0.000 0.851 210 L CB -0.065 41.830 42.059 -0.273 0.000 0.959 210 L HN 0.138 nan 8.230 nan 0.000 0.451 211 S N -1.385 114.286 115.700 -0.048 0.000 2.575 211 S HA 0.098 4.811 4.470 0.404 0.000 0.237 211 S C 0.557 175.076 174.600 -0.135 0.000 0.975 211 S CA -0.209 57.960 58.200 -0.052 0.000 0.960 211 S CB 0.071 63.204 63.200 -0.110 0.000 0.822 211 S HN 0.465 nan 8.310 nan 0.000 0.472 212 T N -1.280 113.184 114.554 -0.152 0.000 2.940 212 T HA 0.485 5.077 4.350 0.404 0.000 0.288 212 T C -2.572 172.113 174.700 -0.025 0.000 1.045 212 T CA -2.045 59.960 62.100 -0.158 0.000 1.018 212 T CB 1.408 70.123 68.868 -0.255 0.000 1.151 212 T HN -0.291 nan 8.240 nan 0.000 0.529 213 P HA -0.044 nan 4.420 nan 0.000 0.216 213 P C 1.265 178.611 177.300 0.077 0.000 1.153 213 P CA 0.681 63.805 63.100 0.040 0.000 0.848 213 P CB -0.009 31.726 31.700 0.057 0.000 0.787 214 W N 0.093 121.366 121.300 -0.045 0.000 2.363 214 W HA -0.128 4.774 4.660 0.404 0.000 0.296 214 W C 1.306 177.823 176.519 -0.004 0.000 1.212 214 W CA 0.919 58.243 57.345 -0.035 0.000 1.260 214 W CB -0.539 28.899 29.460 -0.037 0.000 1.131 214 W HN -0.164 nan 8.180 nan 0.000 0.530 215 L N 0.934 122.174 121.223 0.027 0.000 2.201 215 L HA -0.207 4.375 4.340 0.404 0.000 0.212 215 L C 2.594 179.450 176.870 -0.023 0.000 1.105 215 L CA 1.445 56.279 54.840 -0.009 0.000 0.775 215 L CB -1.228 40.849 42.059 0.030 0.000 0.913 215 L HN 0.099 nan 8.230 nan 0.000 0.440 216 Q N -0.738 119.042 119.800 -0.033 0.000 2.079 216 Q HA -0.174 4.408 4.340 0.404 0.000 0.200 216 Q C 2.265 178.228 176.000 -0.061 0.000 0.974 216 Q CA 1.063 56.853 55.803 -0.023 0.000 0.840 216 Q CB -0.485 28.243 28.738 -0.016 0.000 0.898 216 Q HN 0.328 nan 8.270 nan 0.000 0.430 217 L N -0.142 120.989 121.223 -0.154 0.000 2.056 217 L HA -0.165 4.417 4.340 0.404 0.000 0.207 217 L C 2.332 179.099 176.870 -0.173 0.000 1.078 217 L CA 1.560 56.286 54.840 -0.190 0.000 0.749 217 L CB -0.768 41.036 42.059 -0.425 0.000 0.901 217 L HN 0.213 nan 8.230 nan 0.000 0.433 218 Y N -0.145 119.866 120.300 -0.482 0.000 2.274 218 Y HA -0.323 4.468 4.550 0.403 0.000 0.290 218 Y C 2.469 178.249 175.900 -0.199 0.000 1.145 218 Y CA 1.934 59.782 58.100 -0.421 0.000 1.203 218 Y CB -0.191 37.938 38.460 -0.553 0.000 0.984 218 Y HN 0.441 nan 8.280 nan 0.000 0.533 219 N N 0.424 118.994 118.700 -0.217 0.000 2.104 219 N HA -0.223 4.759 4.740 0.404 0.000 0.190 219 N C 0.769 176.131 175.510 -0.246 0.000 1.024 219 N CA 2.120 55.029 53.050 -0.234 0.000 0.853 219 N CB -0.273 38.184 38.487 -0.050 0.000 1.008 219 N HN 0.464 nan 8.380 nan 0.000 0.424 220 N N -1.627 116.989 118.700 -0.139 0.000 2.280 220 N HA 0.161 5.143 4.740 0.404 0.000 0.192 220 N C -0.763 174.517 175.510 -0.383 0.000 1.109 220 N CA 0.211 53.132 53.050 -0.215 0.000 0.855 220 N CB 0.456 38.830 38.487 -0.188 0.000 0.974 220 N HN 0.195 nan 8.380 nan 0.000 0.482 221 F N -0.140 119.708 119.950 -0.169 0.000 2.623 221 F HA 0.367 5.136 4.527 0.403 0.000 0.361 221 F C -1.748 174.033 175.800 -0.031 0.000 1.469 221 F CA -1.752 56.244 58.000 -0.007 0.000 1.126 221 F CB 1.545 40.514 39.000 -0.052 0.000 1.221 221 F HN -0.084 nan 8.300 nan 0.000 0.536 222 P HA -0.159 nan 4.420 nan 0.000 0.215 222 P C 1.788 179.125 177.300 0.061 0.000 1.157 222 P CA 1.703 64.657 63.100 -0.243 0.000 0.859 222 P CB 0.040 31.493 31.700 -0.411 0.000 0.786 223 S N -1.343 114.369 115.700 0.020 0.000 2.399 223 S HA -0.148 4.565 4.470 0.404 0.000 0.231 223 S C 1.899 176.520 174.600 0.035 0.000 1.022 223 S CA 0.884 59.081 58.200 -0.006 0.000 0.983 223 S CB -1.793 61.306 63.200 -0.169 0.000 0.803 223 S HN -0.076 nan 8.310 nan 0.000 0.480 224 F N 1.055 121.079 119.950 0.124 0.000 2.146 224 F HA 0.186 4.955 4.527 0.403 0.000 0.298 224 F C 1.895 177.778 175.800 0.138 0.000 1.096 224 F CA 0.728 58.807 58.000 0.132 0.000 1.275 224 F CB -0.343 38.738 39.000 0.135 0.000 1.008 224 F HN 0.230 nan 8.300 nan 0.000 0.480 225 L N -1.754 119.665 121.223 0.326 0.000 2.590 225 L HA 0.045 4.627 4.340 0.404 0.000 0.227 225 L C 2.081 179.061 176.870 0.183 0.000 1.099 225 L CA 0.616 55.572 54.840 0.194 0.000 0.872 225 L CB -1.153 40.897 42.059 -0.015 0.000 1.088 225 L HN 0.122 nan 8.230 nan 0.000 0.479 226 H N -0.385 118.756 119.070 0.120 0.000 2.387 226 H HA -0.146 4.653 4.556 0.404 0.000 0.299 226 H C 0.675 175.975 175.328 -0.047 0.000 1.090 226 H CA 1.688 57.749 56.048 0.022 0.000 1.332 226 H CB 0.216 29.852 29.762 -0.211 0.000 1.386 226 H HN 0.330 nan 8.280 nan 0.000 0.516 227 Y N -0.163 120.410 120.300 0.455 0.000 2.658 227 Y HA 0.284 5.077 4.550 0.405 0.000 0.276 227 Y C 0.322 176.375 175.900 0.256 0.000 1.167 227 Y CA -0.242 58.047 58.100 0.314 0.000 1.230 227 Y CB 0.261 38.812 38.460 0.152 0.000 1.144 227 Y HN -0.052 nan 8.280 nan 0.000 0.529 228 L N 0.917 122.386 121.223 0.410 0.000 2.358 228 L HA 0.509 5.091 4.340 0.404 0.000 0.268 228 L C -2.370 174.689 176.870 0.316 0.000 1.032 228 L CA -2.366 52.663 54.840 0.315 0.000 0.805 228 L CB 1.267 43.514 42.059 0.313 0.000 1.253 228 L HN -0.153 nan 8.230 nan 0.000 0.452 229 P HA 0.292 nan 4.420 nan 0.000 0.271 229 P C -0.512 176.818 177.300 0.050 0.000 1.216 229 P CA -0.035 63.093 63.100 0.046 0.000 0.771 229 P CB 1.019 32.704 31.700 -0.025 0.000 0.864 230 G N 0.149 108.898 108.800 -0.086 0.000 2.506 230 G HA2 0.342 4.544 3.960 0.404 0.000 0.292 230 G HA3 0.342 4.544 3.960 0.404 0.000 0.292 230 G C 0.223 174.985 174.900 -0.231 0.000 1.425 230 G CA -0.297 44.750 45.100 -0.087 0.000 0.788 230 G HN 0.319 nan 8.290 nan 0.000 0.490 231 S N -0.608 115.011 115.700 -0.135 0.000 2.593 231 S HA -0.007 4.705 4.470 0.404 0.000 0.217 231 S C 1.713 176.276 174.600 -0.062 0.000 0.966 231 S CA 1.098 59.231 58.200 -0.111 0.000 0.914 231 S CB -0.527 62.631 63.200 -0.071 0.000 0.776 231 S HN 0.873 nan 8.310 nan 0.000 0.523 232 H N 1.944 120.977 119.070 -0.061 0.000 2.423 232 H HA 0.121 4.919 4.556 0.403 0.000 0.297 232 H C 1.876 176.979 175.328 -0.375 0.000 1.075 232 H CA 1.104 56.953 56.048 -0.331 0.000 1.342 232 H CB -0.522 28.778 29.762 -0.771 0.000 1.395 232 H HN 0.413 nan 8.280 nan 0.000 0.530 233 R N 0.989 121.028 120.500 -0.769 0.000 2.075 233 R HA -0.022 4.561 4.340 0.404 0.000 0.232 233 R C 2.479 178.598 176.300 -0.302 0.000 1.126 233 R CA 1.203 56.992 56.100 -0.520 0.000 0.963 233 R CB 0.053 30.054 30.300 -0.498 0.000 0.858 233 R HN 0.352 nan 8.270 nan 0.000 0.435 234 K N 0.196 120.443 120.400 -0.256 0.000 2.097 234 K HA -0.079 4.483 4.320 0.404 0.000 0.206 234 K C 2.040 178.524 176.600 -0.194 0.000 1.049 234 K CA 1.152 57.329 56.287 -0.184 0.000 0.933 234 K CB -0.072 32.338 32.500 -0.150 0.000 0.717 234 K HN -0.012 nan 8.250 nan 0.000 0.442 235 V N 1.859 121.640 119.914 -0.222 0.000 2.343 235 V HA -0.238 4.125 4.120 0.404 0.000 0.247 235 V C 2.132 178.048 176.094 -0.297 0.000 1.051 235 V CA 1.586 63.735 62.300 -0.253 0.000 1.036 235 V CB -0.359 31.307 31.823 -0.262 0.000 0.654 235 V HN 0.289 nan 8.190 nan 0.000 0.451 236 I N -0.568 119.832 120.570 -0.283 0.000 2.315 236 I HA -0.229 4.184 4.170 0.404 0.000 0.248 236 I C 2.536 178.555 176.117 -0.164 0.000 1.117 236 I CA 1.460 62.614 61.300 -0.243 0.000 1.404 236 I CB -0.406 37.466 38.000 -0.213 0.000 1.071 236 I HN 0.294 nan 8.210 nan 0.000 0.419 237 K N 0.763 121.076 120.400 -0.144 0.000 2.057 237 K HA -0.156 4.406 4.320 0.404 0.000 0.207 237 K C 1.817 178.367 176.600 -0.082 0.000 1.049 237 K CA 1.520 57.752 56.287 -0.092 0.000 0.931 237 K CB -0.347 32.102 32.500 -0.085 0.000 0.714 237 K HN 0.324 nan 8.250 nan 0.000 0.440 238 N N 0.899 119.530 118.700 -0.116 0.000 2.166 238 N HA -0.124 4.859 4.740 0.404 0.000 0.186 238 N C 1.854 177.310 175.510 -0.090 0.000 1.019 238 N CA 0.886 53.873 53.050 -0.106 0.000 0.856 238 N CB -0.636 37.764 38.487 -0.146 0.000 0.993 238 N HN -0.049 nan 8.380 nan 0.000 0.426 239 V N 1.219 121.045 119.914 -0.145 0.000 2.407 239 V HA -0.174 4.188 4.120 0.404 0.000 0.248 239 V C 2.386 178.517 176.094 0.061 0.000 1.055 239 V CA 1.732 63.968 62.300 -0.108 0.000 1.049 239 V CB -1.045 30.620 31.823 -0.264 0.000 0.662 239 V HN 0.338 nan 8.190 nan 0.000 0.455 240 A N -0.184 122.651 122.820 0.026 0.000 1.898 240 A HA -0.257 4.305 4.320 0.404 0.000 0.216 240 A C 2.281 179.911 177.584 0.076 0.000 1.181 240 A CA 1.911 53.985 52.037 0.061 0.000 0.620 240 A CB -0.489 18.529 19.000 0.029 0.000 0.819 240 A HN 0.607 nan 8.150 nan 0.000 0.442 241 E N -0.247 119.982 120.200 0.048 0.000 2.077 241 E HA -0.135 4.457 4.350 0.404 0.000 0.193 241 E C 1.813 178.484 176.600 0.118 0.000 0.989 241 E CA 1.457 57.894 56.400 0.062 0.000 0.800 241 E CB -0.134 29.577 29.700 0.019 0.000 0.746 241 E HN 0.298 nan 8.360 nan 0.000 0.452 242 V N 1.086 121.073 119.914 0.122 0.000 2.343 242 V HA -0.243 4.119 4.120 0.404 0.000 0.247 242 V C 2.422 178.707 176.094 0.317 0.000 1.051 242 V CA 2.047 64.479 62.300 0.221 0.000 1.036 242 V CB -0.476 31.503 31.823 0.261 0.000 0.654 242 V HN 0.248 nan 8.190 nan 0.000 0.451 243 K N 0.019 120.583 120.400 0.274 0.000 2.057 243 K HA -0.252 4.310 4.320 0.404 0.000 0.207 243 K C 2.226 178.936 176.600 0.184 0.000 1.049 243 K CA 1.801 58.229 56.287 0.234 0.000 0.931 243 K CB -0.090 32.508 32.500 0.162 0.000 0.714 243 K HN 0.403 nan 8.250 nan 0.000 0.440 244 E N -0.067 120.226 120.200 0.154 0.000 2.077 244 E HA -0.227 4.365 4.350 0.404 0.000 0.193 244 E C 1.758 178.432 176.600 0.123 0.000 0.989 244 E CA 1.495 57.961 56.400 0.109 0.000 0.800 244 E CB -0.418 29.332 29.700 0.083 0.000 0.746 244 E HN 0.454 nan 8.360 nan 0.000 0.452 245 Y N -0.315 120.020 120.300 0.057 0.000 2.181 245 Y HA -0.159 4.634 4.550 0.404 0.000 0.288 245 Y C 2.025 177.931 175.900 0.010 0.000 1.146 245 Y CA 1.637 59.758 58.100 0.035 0.000 1.164 245 Y CB -0.056 38.439 38.460 0.059 0.000 0.982 245 Y HN -0.047 nan 8.280 nan 0.000 0.515 246 V N -0.485 119.658 119.914 0.382 0.000 2.759 246 V HA -0.236 4.126 4.120 0.404 0.000 0.256 246 V C 2.536 178.691 176.094 0.101 0.000 1.080 246 V CA 1.758 64.208 62.300 0.249 0.000 1.101 246 V CB -0.585 31.445 31.823 0.345 0.000 0.698 246 V HN 0.540 nan 8.190 nan 0.000 0.477 247 S N -0.221 115.526 115.700 0.078 0.000 2.356 247 S HA -0.205 4.508 4.470 0.404 0.000 0.223 247 S C 2.014 176.599 174.600 -0.025 0.000 1.032 247 S CA 1.543 59.761 58.200 0.030 0.000 1.005 247 S CB -0.172 63.047 63.200 0.031 0.000 0.867 247 S HN 0.621 nan 8.310 nan 0.000 0.449 248 E N 1.030 121.183 120.200 -0.078 0.000 2.072 248 E HA -0.036 4.556 4.350 0.404 0.000 0.191 248 E C 2.369 178.885 176.600 -0.140 0.000 0.985 248 E CA 0.649 56.981 56.400 -0.113 0.000 0.801 248 E CB -0.318 29.288 29.700 -0.157 0.000 0.750 248 E HN 0.407 nan 8.360 nan 0.000 0.452 249 R N 0.599 120.966 120.500 -0.223 0.000 2.152 249 R HA -0.061 4.521 4.340 0.404 0.000 0.232 249 R C 2.393 178.537 176.300 -0.261 0.000 1.117 249 R CA 0.425 56.356 56.100 -0.281 0.000 0.981 249 R CB -0.919 29.105 30.300 -0.459 0.000 0.870 249 R HN 0.097 nan 8.270 nan 0.000 0.451 250 V N 1.369 121.205 119.914 -0.130 0.000 2.307 250 V HA -0.238 4.124 4.120 0.404 0.000 0.245 250 V C 2.243 178.350 176.094 0.021 0.000 1.045 250 V CA 1.713 63.975 62.300 -0.064 0.000 1.024 250 V CB -0.285 31.532 31.823 -0.010 0.000 0.651 250 V HN 0.308 nan 8.190 nan 0.000 0.449 251 K N -0.421 119.986 120.400 0.012 0.000 2.097 251 K HA -0.194 4.368 4.320 0.404 0.000 0.206 251 K C 2.133 178.807 176.600 0.124 0.000 1.049 251 K CA 1.564 57.894 56.287 0.071 0.000 0.933 251 K CB -0.184 32.338 32.500 0.037 0.000 0.717 251 K HN 0.524 nan 8.250 nan 0.000 0.442 252 E N -0.025 120.221 120.200 0.077 0.000 2.110 252 E HA -0.197 4.395 4.350 0.404 0.000 0.193 252 E C 1.933 178.674 176.600 0.235 0.000 0.988 252 E CA 1.129 57.597 56.400 0.113 0.000 0.804 252 E CB -0.078 29.666 29.700 0.073 0.000 0.745 252 E HN 0.505 nan 8.360 nan 0.000 0.458 253 H N -1.012 118.116 119.070 0.097 0.000 2.353 253 H HA -0.103 4.695 4.556 0.403 0.000 0.300 253 H C 2.250 177.665 175.328 0.145 0.000 1.090 253 H CA 0.896 57.013 56.048 0.115 0.000 1.327 253 H CB 0.018 29.858 29.762 0.130 0.000 1.383 253 H HN 0.294 nan 8.280 nan 0.000 0.508 254 H N 0.796 119.964 119.070 0.163 0.000 2.353 254 H HA -0.134 4.665 4.556 0.404 0.000 0.300 254 H C 2.283 177.646 175.328 0.058 0.000 1.090 254 H CA 0.987 57.087 56.048 0.088 0.000 1.327 254 H CB 0.318 30.120 29.762 0.066 0.000 1.383 254 H HN 0.409 nan 8.280 nan 0.000 0.508 255 Q N 0.201 120.076 119.800 0.126 0.000 2.124 255 Q HA -0.096 4.486 4.340 0.404 0.000 0.202 255 Q C 1.516 177.517 176.000 0.002 0.000 0.977 255 Q CA 1.741 57.563 55.803 0.032 0.000 0.850 255 Q CB 0.241 29.013 28.738 0.056 0.000 0.901 255 Q HN 0.394 nan 8.270 nan 0.000 0.429 256 S N -0.044 115.674 115.700 0.030 0.000 2.582 256 S HA 0.159 4.871 4.470 0.404 0.000 0.234 256 S C 0.065 174.660 174.600 -0.009 0.000 0.961 256 S CA -0.489 57.714 58.200 0.006 0.000 0.953 256 S CB 0.160 63.368 63.200 0.013 0.000 0.800 256 S HN 0.210 nan 8.310 nan 0.000 0.471 257 L N 3.568 124.785 121.223 -0.011 0.000 2.433 257 L HA 0.394 4.976 4.340 0.404 0.000 0.275 257 L C -0.445 176.413 176.870 -0.021 0.000 1.128 257 L CA 0.272 55.110 54.840 -0.004 0.000 0.875 257 L CB 0.305 42.377 42.059 0.023 0.000 1.171 257 L HN 0.077 nan 8.230 nan 0.000 0.463 258 D N 7.488 127.878 120.400 -0.016 0.000 2.392 258 D HA 0.312 5.194 4.640 0.404 0.000 0.228 258 D C -2.026 174.270 176.300 -0.006 0.000 1.074 258 D CA -2.173 51.818 54.000 -0.015 0.000 0.838 258 D CB 1.937 42.727 40.800 -0.016 0.000 1.067 258 D HN 0.390 nan 8.370 nan 0.000 0.511 259 P HA -0.117 nan 4.420 nan 0.000 0.218 259 P C 0.840 178.142 177.300 0.003 0.000 1.149 259 P CA 0.665 63.766 63.100 0.002 0.000 0.817 259 P CB 0.579 32.277 31.700 -0.004 0.000 0.785 260 N N -0.420 118.279 118.700 -0.003 0.000 2.120 260 N HA -0.074 4.909 4.740 0.404 0.000 0.188 260 N C 0.378 175.888 175.510 -0.002 0.000 1.024 260 N CA 0.842 53.890 53.050 -0.003 0.000 0.852 260 N CB -0.649 37.834 38.487 -0.007 0.000 1.003 260 N HN 0.190 nan 8.380 nan 0.000 0.424 261 C N 1.476 120.774 119.300 -0.003 0.000 2.322 261 C HA 0.482 5.184 4.460 0.404 0.000 0.324 261 C C -2.565 172.427 174.990 0.002 0.000 1.249 261 C CA -1.235 57.781 59.018 -0.003 0.000 1.453 261 C CB 1.710 29.444 27.740 -0.010 0.000 2.145 261 C HN 0.190 nan 8.230 nan 0.000 0.466 262 P HA 0.440 nan 4.420 nan 0.000 0.304 262 P C 0.292 177.623 177.300 0.052 0.000 1.366 262 P CA -0.411 62.712 63.100 0.037 0.000 0.859 262 P CB 1.016 32.759 31.700 0.071 0.000 0.961 263 R N 1.887 122.404 120.500 0.029 0.000 2.120 263 R HA -0.011 4.571 4.340 0.404 0.000 0.234 263 R C 0.249 176.645 176.300 0.160 0.000 1.123 263 R CA 1.501 57.625 56.100 0.041 0.000 0.975 263 R CB -0.248 30.028 30.300 -0.039 0.000 0.866 263 R HN 0.657 nan 8.270 nan 0.000 0.446 264 D N -3.363 117.164 120.400 0.212 0.000 2.809 264 D HA -0.060 4.822 4.640 0.404 0.000 0.336 264 D C 0.185 176.540 176.300 0.090 0.000 1.367 264 D CA -0.742 53.420 54.000 0.271 0.000 0.815 264 D CB 0.027 40.900 40.800 0.122 0.000 1.381 264 D HN -0.119 nan 8.370 nan 0.000 0.471 265 L N -0.415 120.669 121.223 -0.231 0.000 2.083 265 L HA -0.100 4.483 4.340 0.404 0.000 0.209 265 L C 1.530 178.376 176.870 -0.040 0.000 1.083 265 L CA 2.073 56.773 54.840 -0.234 0.000 0.752 265 L CB -0.502 41.331 42.059 -0.375 0.000 0.899 265 L HN 0.622 nan 8.230 nan 0.000 0.433 266 T N -0.577 113.961 114.554 -0.026 0.000 2.788 266 T HA -0.168 4.425 4.350 0.404 0.000 0.268 266 T C 1.357 176.158 174.700 0.169 0.000 1.044 266 T CA 1.430 63.581 62.100 0.085 0.000 1.139 266 T CB -0.304 68.669 68.868 0.176 0.000 0.867 266 T HN 0.399 nan 8.240 nan 0.000 0.454 267 D N 0.718 121.211 120.400 0.154 0.000 2.097 267 D HA -0.055 4.828 4.640 0.404 0.000 0.195 267 D C 2.319 178.677 176.300 0.097 0.000 0.989 267 D CA 0.706 54.776 54.000 0.115 0.000 0.827 267 D CB -0.612 40.227 40.800 0.065 0.000 0.966 267 D HN 0.369 nan 8.370 nan 0.000 0.456 268 C N 0.508 119.883 119.300 0.125 0.000 2.411 268 C HA -0.072 4.630 4.460 0.404 0.000 0.279 268 C C 2.863 177.893 174.990 0.066 0.000 1.288 268 C CA 0.145 59.258 59.018 0.159 0.000 1.764 268 C CB -1.102 26.817 27.740 0.298 0.000 1.974 268 C HN 0.375 nan 8.230 nan 0.000 0.498 269 L N -0.074 121.191 121.223 0.070 0.000 2.046 269 L HA -0.143 4.439 4.340 0.404 0.000 0.208 269 L C 2.509 179.322 176.870 -0.096 0.000 1.077 269 L CA 1.093 55.928 54.840 -0.007 0.000 0.747 269 L CB -0.587 41.527 42.059 0.092 0.000 0.896 269 L HN 0.273 nan 8.230 nan 0.000 0.432 270 L N -0.868 120.352 121.223 -0.004 0.000 2.046 270 L HA -0.156 4.427 4.340 0.404 0.000 0.208 270 L C 2.507 179.347 176.870 -0.051 0.000 1.077 270 L CA 1.336 56.179 54.840 0.004 0.000 0.747 270 L CB -1.267 40.864 42.059 0.120 0.000 0.896 270 L HN -0.000 nan 8.230 nan 0.000 0.432 271 V N -0.298 119.587 119.914 -0.048 0.000 2.287 271 V HA -0.244 4.118 4.120 0.404 0.000 0.248 271 V C 2.595 178.591 176.094 -0.163 0.000 1.053 271 V CA 1.451 63.715 62.300 -0.059 0.000 1.027 271 V CB -0.403 31.407 31.823 -0.021 0.000 0.646 271 V HN 0.422 nan 8.190 nan 0.000 0.447 272 E N -0.677 119.330 120.200 -0.322 0.000 2.153 272 E HA -0.247 4.345 4.350 0.404 0.000 0.194 272 E C 2.014 178.281 176.600 -0.556 0.000 0.988 272 E CA 1.435 57.512 56.400 -0.539 0.000 0.811 272 E CB -0.390 28.712 29.700 -0.997 0.000 0.746 272 E HN 0.612 nan 8.360 nan 0.000 0.466 273 M N 0.524 119.827 119.600 -0.494 0.000 2.132 273 M HA -0.138 4.584 4.480 0.404 0.000 0.263 273 M C 1.703 177.936 176.300 -0.112 0.000 1.065 273 M CA 1.373 56.500 55.300 -0.289 0.000 1.122 273 M CB 0.192 32.707 32.600 -0.141 0.000 1.365 273 M HN -0.152 nan 8.290 nan 0.000 0.411 274 E N 0.800 120.961 120.200 -0.066 0.000 2.106 274 E HA -0.172 4.420 4.350 0.404 0.000 0.192 274 E C 1.862 178.448 176.600 -0.023 0.000 0.984 274 E CA 1.183 57.580 56.400 -0.004 0.000 0.806 274 E CB -0.281 29.434 29.700 0.024 0.000 0.750 274 E HN 0.561 nan 8.360 nan 0.000 0.458 275 K N 0.553 120.914 120.400 -0.064 0.000 2.147 275 K HA -0.106 4.457 4.320 0.404 0.000 0.205 275 K C 1.130 177.710 176.600 -0.033 0.000 1.049 275 K CA 0.947 57.203 56.287 -0.052 0.000 0.936 275 K CB 0.170 32.622 32.500 -0.080 0.000 0.722 275 K HN 0.045 nan 8.250 nan 0.000 0.446 276 E N 0.426 120.599 120.200 -0.045 0.000 2.569 276 E HA -0.017 4.576 4.350 0.404 0.000 0.205 276 E C 0.881 177.496 176.600 0.025 0.000 1.006 276 E CA 0.039 56.435 56.400 -0.007 0.000 0.985 276 E CB 0.644 30.335 29.700 -0.015 0.000 1.060 276 E HN 0.387 nan 8.360 nan 0.000 0.460 277 K N 0.305 120.727 120.400 0.038 0.000 2.097 277 K HA -0.119 4.443 4.320 0.404 0.000 0.205 277 K C 1.686 178.337 176.600 0.086 0.000 1.050 277 K CA 1.025 57.349 56.287 0.061 0.000 0.938 277 K CB -0.169 32.373 32.500 0.069 0.000 0.718 277 K HN 0.119 nan 8.250 nan 0.000 0.442 278 H N 0.805 119.878 119.070 0.005 0.000 2.547 278 H HA 0.137 4.935 4.556 0.404 0.000 0.266 278 H C -0.016 175.317 175.328 0.008 0.000 0.988 278 H CA 0.017 56.069 56.048 0.007 0.000 1.147 278 H CB 0.437 30.201 29.762 0.004 0.000 1.365 278 H HN 0.213 nan 8.280 nan 0.000 0.589 279 S N -0.234 115.503 115.700 0.061 0.000 2.549 279 S HA 0.227 4.939 4.470 0.404 0.000 0.283 279 S C 1.430 176.022 174.600 -0.014 0.000 1.320 279 S CA 0.077 58.292 58.200 0.025 0.000 1.058 279 S CB 1.160 64.380 63.200 0.033 0.000 0.882 279 S HN 0.454 nan 8.310 nan 0.000 0.498 280 A N 3.540 126.346 122.820 -0.023 0.000 1.898 280 A HA 0.020 4.582 4.320 0.404 0.000 0.216 280 A C 0.957 178.532 177.584 -0.014 0.000 1.181 280 A CA 1.128 53.145 52.037 -0.033 0.000 0.620 280 A CB -0.392 18.590 19.000 -0.030 0.000 0.819 280 A HN 0.883 nan 8.150 nan 0.000 0.442 281 E N 1.032 121.233 120.200 0.001 0.000 2.113 281 E HA 0.341 4.933 4.350 0.404 0.000 0.273 281 E C -1.053 175.560 176.600 0.020 0.000 0.924 281 E CA -0.746 55.658 56.400 0.008 0.000 0.764 281 E CB 0.725 30.430 29.700 0.009 0.000 1.104 281 E HN 0.150 nan 8.360 nan 0.000 0.406 282 R N 3.310 123.824 120.500 0.023 0.000 2.404 282 R HA 0.324 4.907 4.340 0.404 0.000 0.291 282 R C 0.284 176.613 176.300 0.047 0.000 1.025 282 R CA -0.821 55.306 56.100 0.044 0.000 0.991 282 R CB 0.900 31.226 30.300 0.043 0.000 1.053 282 R HN 0.525 nan 8.270 nan 0.000 0.479 283 L N 2.737 124.017 121.223 0.094 0.000 2.857 283 L HA 0.340 4.922 4.340 0.404 0.000 0.249 283 L C -0.827 176.028 176.870 -0.024 0.000 1.172 283 L CA 0.155 55.020 54.840 0.040 0.000 0.980 283 L CB -0.593 41.511 42.059 0.075 0.000 1.299 283 L HN 0.545 nan 8.230 nan 0.000 0.535 284 Y N -1.204 119.076 120.300 -0.032 0.000 2.479 284 Y HA 0.445 5.237 4.550 0.403 0.000 0.338 284 Y C 0.405 176.287 175.900 -0.030 0.000 1.055 284 Y CA -0.768 57.309 58.100 -0.038 0.000 1.023 284 Y CB 2.251 40.673 38.460 -0.062 0.000 1.287 284 Y HN -0.117 nan 8.280 nan 0.000 0.447 285 T N 0.847 115.458 114.554 0.096 0.000 2.887 285 T HA 0.329 4.921 4.350 0.404 0.000 0.292 285 T C 0.679 175.403 174.700 0.039 0.000 1.087 285 T CA -0.809 61.322 62.100 0.052 0.000 1.009 285 T CB 1.372 70.252 68.868 0.021 0.000 1.203 285 T HN 0.632 nan 8.240 nan 0.000 0.518 286 M N 0.960 120.562 119.600 0.004 0.000 2.159 286 M HA -0.013 4.709 4.480 0.404 0.000 0.263 286 M C 1.596 177.895 176.300 -0.002 0.000 1.063 286 M CA 1.639 56.927 55.300 -0.020 0.000 1.110 286 M CB -1.303 31.270 32.600 -0.045 0.000 1.374 286 M HN 0.752 nan 8.290 nan 0.000 0.411 287 D N 0.128 120.530 120.400 0.002 0.000 2.097 287 D HA -0.086 4.797 4.640 0.404 0.000 0.195 287 D C 1.989 178.290 176.300 0.001 0.000 0.989 287 D CA 1.653 55.655 54.000 0.002 0.000 0.827 287 D CB -0.298 40.504 40.800 0.004 0.000 0.966 287 D HN 0.376 nan 8.370 nan 0.000 0.456 288 G N 0.326 109.127 108.800 0.002 0.000 2.418 288 G HA2 -0.206 3.996 3.960 0.404 0.000 0.217 288 G HA3 -0.206 3.996 3.960 0.404 0.000 0.217 288 G C 1.799 176.701 174.900 0.004 0.000 1.158 288 G CA 0.704 45.796 45.100 -0.013 0.000 0.771 288 G HN 0.350 nan 8.290 nan 0.000 0.545 289 I N 1.574 122.167 120.570 0.039 0.000 2.315 289 I HA -0.140 4.273 4.170 0.404 0.000 0.248 289 I C 3.159 179.308 176.117 0.054 0.000 1.117 289 I CA 1.612 62.951 61.300 0.064 0.000 1.404 289 I CB -0.648 37.402 38.000 0.084 0.000 1.071 289 I HN 0.263 nan 8.210 nan 0.000 0.419 290 T N -1.081 113.498 114.554 0.041 0.000 2.746 290 T HA -0.112 4.481 4.350 0.404 0.000 0.267 290 T C 1.911 176.648 174.700 0.062 0.000 1.039 290 T CA 1.079 63.215 62.100 0.059 0.000 1.142 290 T CB -0.927 67.966 68.868 0.042 0.000 0.866 290 T HN 0.128 nan 8.240 nan 0.000 0.444 291 V N 1.952 121.866 119.914 -0.000 0.000 2.295 291 V HA -0.183 4.180 4.120 0.404 0.000 0.246 291 V C 3.065 179.206 176.094 0.079 0.000 1.049 291 V CA 2.386 64.646 62.300 -0.068 0.000 1.024 291 V CB -1.174 30.589 31.823 -0.100 0.000 0.648 291 V HN 0.576 nan 8.190 nan 0.000 0.447 292 T N -0.286 114.313 114.554 0.075 0.000 2.759 292 T HA -0.166 4.426 4.350 0.404 0.000 0.269 292 T C 1.876 176.627 174.700 0.085 0.000 1.042 292 T CA 1.604 63.753 62.100 0.082 0.000 1.140 292 T CB -0.187 68.712 68.868 0.053 0.000 0.864 292 T HN 0.280 nan 8.240 nan 0.000 0.455 293 V N 1.423 121.392 119.914 0.093 0.000 2.427 293 V HA -0.112 4.251 4.120 0.404 0.000 0.248 293 V C 2.815 179.039 176.094 0.217 0.000 1.051 293 V CA 1.522 63.876 62.300 0.090 0.000 1.048 293 V CB -1.074 30.790 31.823 0.069 0.000 0.666 293 V HN 0.516 nan 8.190 nan 0.000 0.456 294 A N -0.132 122.874 122.820 0.311 0.000 1.902 294 A HA -0.238 4.324 4.320 0.404 0.000 0.217 294 A C 2.000 179.816 177.584 0.386 0.000 1.181 294 A CA 1.983 54.338 52.037 0.530 0.000 0.623 294 A CB -0.610 18.762 19.000 0.620 0.000 0.818 294 A HN 0.511 nan 8.150 nan 0.000 0.443 295 D N 0.207 120.743 120.400 0.226 0.000 2.104 295 D HA -0.130 4.752 4.640 0.404 0.000 0.194 295 D C 1.913 177.989 176.300 -0.373 0.000 0.994 295 D CA 1.209 55.121 54.000 -0.146 0.000 0.830 295 D CB -0.385 40.422 40.800 0.011 0.000 0.959 295 D HN 0.458 nan 8.370 nan 0.000 0.452 296 L N -0.291 120.872 121.223 -0.100 0.000 2.131 296 L HA -0.138 4.444 4.340 0.404 0.000 0.210 296 L C 2.306 179.199 176.870 0.039 0.000 1.092 296 L CA 0.402 55.201 54.840 -0.069 0.000 0.759 296 L CB -0.339 41.710 42.059 -0.016 0.000 0.903 296 L HN -0.028 nan 8.230 nan 0.000 0.435 297 F N 1.282 121.217 119.950 -0.026 0.000 2.134 297 F HA -0.225 4.543 4.527 0.402 0.000 0.299 297 F C 2.190 177.969 175.800 -0.035 0.000 1.097 297 F CA 1.306 59.392 58.000 0.144 0.000 1.264 297 F CB -0.433 38.828 39.000 0.435 0.000 1.001 297 F HN 0.124 nan 8.300 nan 0.000 0.479 298 F N -1.699 118.070 119.950 -0.302 0.000 2.582 298 F HA 0.455 5.226 4.527 0.406 0.000 0.290 298 F C 2.079 177.594 175.800 -0.475 0.000 1.115 298 F CA 0.514 57.971 58.000 -0.906 0.000 1.445 298 F CB -1.476 36.826 39.000 -1.163 0.000 1.126 298 F HN -0.118 nan 8.300 nan 0.000 0.574 299 A N 1.798 124.219 122.820 -0.667 0.000 1.883 299 A HA 0.008 4.570 4.320 0.404 0.000 0.217 299 A C 2.439 179.900 177.584 -0.204 0.000 1.186 299 A CA 1.829 53.641 52.037 -0.376 0.000 0.624 299 A CB -1.737 17.034 19.000 -0.381 0.000 0.822 299 A HN 0.507 nan 8.150 nan 0.000 0.444 300 G N -1.832 106.868 108.800 -0.167 0.000 2.470 300 G HA2 -0.021 4.181 3.960 0.404 0.000 0.220 300 G HA3 -0.021 4.181 3.960 0.404 0.000 0.220 300 G C 1.416 176.304 174.900 -0.020 0.000 1.121 300 G CA 1.714 46.791 45.100 -0.038 0.000 0.766 300 G HN 0.484 nan 8.290 nan 0.000 0.553 301 T N -0.225 114.254 114.554 -0.126 0.000 3.053 301 T HA 0.088 4.680 4.350 0.404 0.000 0.236 301 T C 2.088 176.741 174.700 -0.077 0.000 0.996 301 T CA 0.877 62.917 62.100 -0.100 0.000 1.185 301 T CB 0.029 68.739 68.868 -0.264 0.000 0.892 301 T HN 0.207 nan 8.240 nan 0.000 0.432 302 E N 1.499 121.592 120.200 -0.178 0.000 2.106 302 E HA -0.101 4.492 4.350 0.404 0.000 0.192 302 E C 2.366 178.985 176.600 0.032 0.000 0.984 302 E CA 1.728 58.095 56.400 -0.054 0.000 0.806 302 E CB -0.482 29.146 29.700 -0.120 0.000 0.750 302 E HN 0.626 nan 8.360 nan 0.000 0.458 303 T N -2.568 111.975 114.554 -0.018 0.000 2.708 303 T HA -0.156 4.436 4.350 0.404 0.000 0.266 303 T C 1.969 176.736 174.700 0.111 0.000 1.037 303 T CA 1.955 64.088 62.100 0.055 0.000 1.146 303 T CB -1.070 67.807 68.868 0.014 0.000 0.865 303 T HN 0.108 nan 8.240 nan 0.000 0.435 304 T N 1.870 116.481 114.554 0.095 0.000 2.746 304 T HA -0.098 4.494 4.350 0.404 0.000 0.267 304 T C 2.331 177.105 174.700 0.123 0.000 1.039 304 T CA 1.462 63.634 62.100 0.120 0.000 1.142 304 T CB -0.751 68.189 68.868 0.119 0.000 0.866 304 T HN 0.546 nan 8.240 nan 0.000 0.444 305 S N 1.136 116.899 115.700 0.106 0.000 2.368 305 S HA -0.174 4.538 4.470 0.404 0.000 0.225 305 S C 2.163 176.828 174.600 0.110 0.000 1.030 305 S CA 1.911 60.169 58.200 0.096 0.000 0.999 305 S CB -0.976 62.269 63.200 0.075 0.000 0.844 305 S HN 0.577 nan 8.310 nan 0.000 0.459 306 T N 1.363 116.006 114.554 0.149 0.000 2.746 306 T HA -0.076 4.517 4.350 0.404 0.000 0.267 306 T C 1.961 176.782 174.700 0.201 0.000 1.039 306 T CA 1.919 64.119 62.100 0.167 0.000 1.142 306 T CB -1.095 67.930 68.868 0.261 0.000 0.866 306 T HN 0.515 nan 8.240 nan 0.000 0.444 307 T N 2.640 117.315 114.554 0.203 0.000 2.746 307 T HA 0.010 4.602 4.350 0.404 0.000 0.267 307 T C 1.902 176.722 174.700 0.201 0.000 1.039 307 T CA 0.584 62.810 62.100 0.210 0.000 1.142 307 T CB -0.322 68.641 68.868 0.158 0.000 0.866 307 T HN 0.073 nan 8.240 nan 0.000 0.444 308 L N 1.096 122.417 121.223 0.163 0.000 2.046 308 L HA 0.002 4.584 4.340 0.404 0.000 0.208 308 L C 2.600 179.560 176.870 0.150 0.000 1.077 308 L CA 1.666 56.593 54.840 0.146 0.000 0.747 308 L CB -0.992 41.141 42.059 0.123 0.000 0.896 308 L HN 0.238 nan 8.230 nan 0.000 0.432 309 R N -1.472 119.111 120.500 0.139 0.000 2.092 309 R HA -0.216 4.366 4.340 0.404 0.000 0.231 309 R C 2.381 178.815 176.300 0.225 0.000 1.119 309 R CA 1.351 57.536 56.100 0.142 0.000 0.970 309 R CB -0.362 29.961 30.300 0.039 0.000 0.864 309 R HN 0.286 nan 8.270 nan 0.000 0.440 310 Y N -0.282 120.081 120.300 0.105 0.000 2.224 310 Y HA -0.137 4.657 4.550 0.406 0.000 0.289 310 Y C 2.276 178.183 175.900 0.010 0.000 1.146 310 Y CA 0.966 59.108 58.100 0.069 0.000 1.182 310 Y CB -0.135 38.374 38.460 0.082 0.000 0.983 310 Y HN 0.301 nan 8.280 nan 0.000 0.524 311 G N -0.306 108.625 108.800 0.219 0.000 2.422 311 G HA2 -0.253 3.949 3.960 0.404 0.000 0.218 311 G HA3 -0.253 3.949 3.960 0.404 0.000 0.218 311 G C 1.381 176.303 174.900 0.036 0.000 1.146 311 G CA 0.821 45.980 45.100 0.098 0.000 0.769 311 G HN 0.218 nan 8.290 nan 0.000 0.547 312 L N -0.006 121.255 121.223 0.064 0.000 2.046 312 L HA 0.050 4.632 4.340 0.404 0.000 0.208 312 L C 2.665 179.470 176.870 -0.108 0.000 1.077 312 L CA 1.086 55.941 54.840 0.025 0.000 0.747 312 L CB -0.950 41.171 42.059 0.103 0.000 0.896 312 L HN 0.251 nan 8.230 nan 0.000 0.432 313 L N -0.652 120.438 121.223 -0.222 0.000 2.046 313 L HA -0.166 4.416 4.340 0.404 0.000 0.208 313 L C 2.330 179.028 176.870 -0.286 0.000 1.077 313 L CA 1.617 56.175 54.840 -0.469 0.000 0.747 313 L CB -0.374 41.291 42.059 -0.657 0.000 0.896 313 L HN 0.201 nan 8.230 nan 0.000 0.432 314 I N -1.207 119.239 120.570 -0.207 0.000 2.226 314 I HA -0.319 4.093 4.170 0.404 0.000 0.245 314 I C 2.436 178.401 176.117 -0.255 0.000 1.100 314 I CA 1.353 62.450 61.300 -0.339 0.000 1.374 314 I CB -0.615 37.028 38.000 -0.596 0.000 1.057 314 I HN 0.270 nan 8.210 nan 0.000 0.413 315 L N 0.039 121.178 121.223 -0.139 0.000 2.083 315 L HA -0.206 4.377 4.340 0.404 0.000 0.209 315 L C 2.722 179.564 176.870 -0.047 0.000 1.083 315 L CA 1.414 56.236 54.840 -0.030 0.000 0.752 315 L CB -0.335 41.728 42.059 0.007 0.000 0.899 315 L HN 0.274 nan 8.230 nan 0.000 0.433 316 M N -0.733 118.798 119.600 -0.114 0.000 2.213 316 M HA -0.233 4.490 4.480 0.404 0.000 0.263 316 M C 2.298 178.491 176.300 -0.178 0.000 1.062 316 M CA 1.570 56.798 55.300 -0.120 0.000 1.105 316 M CB -0.207 32.303 32.600 -0.149 0.000 1.385 316 M HN 0.115 nan 8.290 nan 0.000 0.417 317 K N 0.064 120.277 120.400 -0.312 0.000 2.025 317 K HA -0.115 4.447 4.320 0.404 0.000 0.207 317 K C -0.369 175.904 176.600 -0.545 0.000 1.049 317 K CA 1.051 57.034 56.287 -0.506 0.000 0.933 317 K CB 0.170 32.200 32.500 -0.784 0.000 0.714 317 K HN 0.176 nan 8.250 nan 0.000 0.438 318 Y N 0.530 120.800 120.300 -0.049 0.000 2.700 318 Y HA 0.239 5.031 4.550 0.403 0.000 0.333 318 Y C -2.047 173.870 175.900 0.028 0.000 1.036 318 Y CA -2.822 55.283 58.100 0.009 0.000 1.287 318 Y CB 1.189 39.679 38.460 0.051 0.000 1.132 318 Y HN 0.142 nan 8.280 nan 0.000 0.510 319 P HA -0.121 nan 4.420 nan 0.000 0.217 319 P C 0.983 178.359 177.300 0.125 0.000 1.151 319 P CA 1.506 64.664 63.100 0.096 0.000 0.828 319 P CB 0.463 32.203 31.700 0.067 0.000 0.788 320 E N -0.730 119.551 120.200 0.136 0.000 2.153 320 E HA -0.133 4.459 4.350 0.404 0.000 0.194 320 E C 1.868 178.553 176.600 0.142 0.000 0.988 320 E CA 0.813 57.284 56.400 0.119 0.000 0.811 320 E CB -0.557 29.203 29.700 0.100 0.000 0.746 320 E HN 0.257 nan 8.360 nan 0.000 0.466 321 I N 1.075 121.765 120.570 0.199 0.000 2.286 321 I HA -0.248 4.164 4.170 0.404 0.000 0.248 321 I C 2.560 178.817 176.117 0.234 0.000 1.115 321 I CA 1.085 62.549 61.300 0.272 0.000 1.392 321 I CB -0.146 38.028 38.000 0.289 0.000 1.065 321 I HN 0.115 nan 8.210 nan 0.000 0.418 322 E N 0.897 121.185 120.200 0.145 0.000 2.077 322 E HA -0.277 4.316 4.350 0.404 0.000 0.193 322 E C 2.133 178.752 176.600 0.032 0.000 0.989 322 E CA 1.179 57.600 56.400 0.035 0.000 0.800 322 E CB 0.021 29.741 29.700 0.034 0.000 0.746 322 E HN 0.449 nan 8.360 nan 0.000 0.452 323 E N 0.528 120.811 120.200 0.138 0.000 2.077 323 E HA -0.208 4.384 4.350 0.404 0.000 0.193 323 E C 1.983 178.660 176.600 0.128 0.000 0.989 323 E CA 1.017 57.527 56.400 0.184 0.000 0.800 323 E CB 0.134 29.911 29.700 0.128 0.000 0.746 323 E HN 0.132 nan 8.360 nan 0.000 0.452 324 K N 0.197 120.640 120.400 0.071 0.000 2.057 324 K HA -0.122 4.440 4.320 0.404 0.000 0.207 324 K C 2.314 178.946 176.600 0.053 0.000 1.049 324 K CA 0.928 57.199 56.287 -0.028 0.000 0.931 324 K CB -0.090 32.265 32.500 -0.241 0.000 0.714 324 K HN 0.184 nan 8.250 nan 0.000 0.440 325 L N 0.242 121.554 121.223 0.147 0.000 2.046 325 L HA -0.214 4.368 4.340 0.404 0.000 0.208 325 L C 2.497 179.431 176.870 0.106 0.000 1.077 325 L CA 1.122 56.054 54.840 0.154 0.000 0.747 325 L CB -0.514 41.579 42.059 0.056 0.000 0.896 325 L HN 0.312 nan 8.230 nan 0.000 0.432 326 H N 0.003 119.132 119.070 0.099 0.000 2.387 326 H HA -0.201 4.599 4.556 0.406 0.000 0.299 326 H C 2.182 177.540 175.328 0.050 0.000 1.090 326 H CA 1.826 57.918 56.048 0.073 0.000 1.332 326 H CB -0.053 29.747 29.762 0.065 0.000 1.386 326 H HN 0.527 nan 8.280 nan 0.000 0.516 327 E N 0.971 121.274 120.200 0.172 0.000 2.077 327 E HA -0.146 4.446 4.350 0.404 0.000 0.193 327 E C 1.977 178.622 176.600 0.076 0.000 0.989 327 E CA 1.497 57.951 56.400 0.090 0.000 0.800 327 E CB -0.214 29.513 29.700 0.045 0.000 0.746 327 E HN 0.445 nan 8.360 nan 0.000 0.452 328 E N 0.311 120.561 120.200 0.083 0.000 2.077 328 E HA -0.137 4.455 4.350 0.404 0.000 0.193 328 E C 2.242 178.897 176.600 0.091 0.000 0.989 328 E CA 1.363 57.814 56.400 0.085 0.000 0.800 328 E CB -0.148 29.619 29.700 0.112 0.000 0.746 328 E HN 0.423 nan 8.360 nan 0.000 0.452 329 I N 1.364 121.996 120.570 0.104 0.000 2.179 329 I HA -0.266 4.146 4.170 0.404 0.000 0.242 329 I C 1.960 178.123 176.117 0.077 0.000 1.088 329 I CA 1.087 62.444 61.300 0.095 0.000 1.357 329 I CB -0.179 37.890 38.000 0.114 0.000 1.051 329 I HN -0.003 nan 8.210 nan 0.000 0.409 330 D N 0.315 120.759 120.400 0.073 0.000 2.117 330 D HA -0.195 4.687 4.640 0.404 0.000 0.197 330 D C 2.172 178.493 176.300 0.035 0.000 0.987 330 D CA 1.104 55.128 54.000 0.039 0.000 0.829 330 D CB -0.197 40.619 40.800 0.026 0.000 0.961 330 D HN 0.239 nan 8.370 nan 0.000 0.460 331 R N 0.510 121.035 120.500 0.042 0.000 2.062 331 R HA -0.090 4.493 4.340 0.404 0.000 0.231 331 R C 2.020 178.344 176.300 0.040 0.000 1.136 331 R CA 1.327 57.449 56.100 0.035 0.000 0.948 331 R CB -0.391 29.930 30.300 0.035 0.000 0.845 331 R HN 0.011 nan 8.270 nan 0.000 0.430 332 V N 0.765 120.711 119.914 0.054 0.000 2.358 332 V HA -0.169 4.193 4.120 0.404 0.000 0.246 332 V C 2.211 178.341 176.094 0.060 0.000 1.047 332 V CA 1.799 64.135 62.300 0.060 0.000 1.035 332 V CB -0.263 31.608 31.823 0.079 0.000 0.658 332 V HN 0.393 nan 8.190 nan 0.000 0.452 333 I N -1.329 119.278 120.570 0.062 0.000 4.139 333 I HA 0.461 4.873 4.170 0.404 0.000 0.320 333 I C 1.156 177.299 176.117 0.044 0.000 1.290 333 I CA 0.709 62.047 61.300 0.062 0.000 1.253 333 I CB 0.366 38.412 38.000 0.076 0.000 1.122 333 I HN 0.479 nan 8.210 nan 0.000 0.421 334 G N 1.838 110.656 108.800 0.030 0.000 2.756 334 G HA2 -0.166 4.036 3.960 0.404 0.000 0.678 334 G HA3 -0.166 4.036 3.960 0.404 0.000 0.678 334 G C -2.433 172.456 174.900 -0.018 0.000 1.349 334 G CA -0.710 44.394 45.100 0.007 0.000 0.847 334 G HN -0.075 nan 8.290 nan 0.000 0.548 335 P HA -0.019 nan 4.420 nan 0.000 0.216 335 P C 2.072 179.277 177.300 -0.158 0.000 1.153 335 P CA 2.842 65.872 63.100 -0.117 0.000 0.848 335 P CB 0.048 31.686 31.700 -0.103 0.000 0.787 336 S N -2.555 113.104 115.700 -0.069 0.000 2.545 336 S HA 0.090 4.802 4.470 0.404 0.000 0.232 336 S C 1.194 175.831 174.600 0.062 0.000 1.070 336 S CA -0.300 57.884 58.200 -0.027 0.000 0.923 336 S CB -0.474 62.723 63.200 -0.005 0.000 0.806 336 S HN -0.141 nan 8.310 nan 0.000 0.506 337 R N 1.922 122.454 120.500 0.054 0.000 2.522 337 R HA 0.201 4.784 4.340 0.404 0.000 0.284 337 R C -0.157 176.214 176.300 0.117 0.000 1.032 337 R CA -0.147 55.999 56.100 0.077 0.000 1.049 337 R CB -0.139 30.198 30.300 0.061 0.000 0.956 337 R HN 0.535 nan 8.270 nan 0.000 0.422 338 I N 6.468 127.113 120.570 0.125 0.000 2.779 338 I HA 0.109 4.521 4.170 0.404 0.000 0.285 338 I C -1.752 174.440 176.117 0.126 0.000 1.134 338 I CA -1.967 59.418 61.300 0.142 0.000 1.398 338 I CB 1.140 39.211 38.000 0.119 0.000 1.404 338 I HN 0.520 nan 8.210 nan 0.000 0.587 339 P HA 0.244 nan 4.420 nan 0.000 0.272 339 P C -1.478 175.919 177.300 0.162 0.000 1.223 339 P CA -0.099 63.077 63.100 0.127 0.000 0.784 339 P CB 0.957 32.697 31.700 0.065 0.000 0.923 340 A N 1.609 124.553 122.820 0.208 0.000 2.606 340 A HA 0.432 4.994 4.320 0.404 0.000 0.293 340 A C 0.827 178.546 177.584 0.225 0.000 1.082 340 A CA -0.693 51.461 52.037 0.195 0.000 0.685 340 A CB 0.382 19.459 19.000 0.128 0.000 1.284 340 A HN 0.532 nan 8.150 nan 0.000 0.408 341 I N -1.160 119.496 120.570 0.143 0.000 3.001 341 I HA -0.052 4.360 4.170 0.404 0.000 0.268 341 I C 1.521 177.625 176.117 -0.021 0.000 1.267 341 I CA 1.038 62.349 61.300 0.018 0.000 1.472 341 I CB -0.416 37.556 38.000 -0.047 0.000 1.089 341 I HN 0.669 nan 8.210 nan 0.000 0.468 342 K N 1.222 121.642 120.400 0.034 0.000 2.362 342 K HA -0.107 4.455 4.320 0.404 0.000 0.200 342 K C 0.930 177.547 176.600 0.027 0.000 1.046 342 K CA 1.093 57.391 56.287 0.018 0.000 0.952 342 K CB -0.055 32.465 32.500 0.034 0.000 0.753 342 K HN 0.326 nan 8.250 nan 0.000 0.466 343 D N -0.141 120.308 120.400 0.082 0.000 2.340 343 D HA -0.023 4.859 4.640 0.404 0.000 0.220 343 D C 1.439 177.817 176.300 0.130 0.000 1.039 343 D CA 0.331 54.411 54.000 0.134 0.000 0.866 343 D CB 0.213 41.144 40.800 0.220 0.000 0.913 343 D HN 0.096 nan 8.370 nan 0.000 0.523 344 R N 0.821 121.290 120.500 -0.052 0.000 2.090 344 R HA -0.110 4.472 4.340 0.404 0.000 0.228 344 R C 2.138 178.369 176.300 -0.115 0.000 1.110 344 R CA 1.000 56.970 56.100 -0.217 0.000 0.973 344 R CB 0.148 30.108 30.300 -0.566 0.000 0.869 344 R HN 0.296 nan 8.270 nan 0.000 0.440 345 Q N -0.335 119.412 119.800 -0.088 0.000 2.170 345 Q HA -0.128 4.454 4.340 0.404 0.000 0.203 345 Q C 0.788 176.788 176.000 -0.000 0.000 0.976 345 Q CA 1.083 56.855 55.803 -0.052 0.000 0.858 345 Q CB 0.025 28.742 28.738 -0.034 0.000 0.907 345 Q HN 0.191 nan 8.270 nan 0.000 0.433 346 E N -0.012 120.204 120.200 0.027 0.000 2.479 346 E HA 0.196 4.789 4.350 0.404 0.000 0.193 346 E C 0.044 176.693 176.600 0.081 0.000 1.049 346 E CA 0.233 56.665 56.400 0.053 0.000 0.870 346 E CB 0.487 30.222 29.700 0.058 0.000 0.944 346 E HN 0.427 nan 8.360 nan 0.000 0.492 347 M N 0.739 120.396 119.600 0.095 0.000 2.126 347 M HA 0.208 4.930 4.480 0.404 0.000 0.217 347 M C -2.113 174.269 176.300 0.137 0.000 0.873 347 M CA -1.727 53.658 55.300 0.142 0.000 0.707 347 M CB 2.053 34.786 32.600 0.222 0.000 1.515 347 M HN -0.231 nan 8.290 nan 0.000 0.369 348 P HA -0.143 nan 4.420 nan 0.000 0.217 348 P C 0.988 178.417 177.300 0.216 0.000 1.150 348 P CA 1.178 64.374 63.100 0.160 0.000 0.832 348 P CB 0.082 31.883 31.700 0.168 0.000 0.787 349 Y N -0.555 119.800 120.300 0.092 0.000 2.200 349 Y HA -0.149 4.647 4.550 0.410 0.000 0.290 349 Y C 2.480 178.439 175.900 0.099 0.000 1.137 349 Y CA 1.449 59.599 58.100 0.084 0.000 1.163 349 Y CB -0.770 37.727 38.460 0.061 0.000 0.988 349 Y HN -0.181 nan 8.280 nan 0.000 0.518 350 M N -0.143 119.562 119.600 0.175 0.000 2.117 350 M HA -0.182 4.540 4.480 0.404 0.000 0.262 350 M C 1.857 178.246 176.300 0.149 0.000 1.065 350 M CA 2.091 57.476 55.300 0.142 0.000 1.114 350 M CB -0.476 32.248 32.600 0.208 0.000 1.361 350 M HN 0.130 nan 8.290 nan 0.000 0.408 351 D N -0.258 120.211 120.400 0.114 0.000 2.117 351 D HA -0.101 4.781 4.640 0.404 0.000 0.197 351 D C 1.863 178.120 176.300 -0.071 0.000 0.987 351 D CA 1.703 55.680 54.000 -0.039 0.000 0.829 351 D CB -0.099 40.507 40.800 -0.322 0.000 0.961 351 D HN 0.458 nan 8.370 nan 0.000 0.460 352 A N -0.039 122.792 122.820 0.019 0.000 1.898 352 A HA -0.080 4.482 4.320 0.404 0.000 0.216 352 A C 2.595 180.160 177.584 -0.031 0.000 1.181 352 A CA 1.256 53.310 52.037 0.029 0.000 0.620 352 A CB -0.792 18.257 19.000 0.081 0.000 0.819 352 A HN 0.197 nan 8.150 nan 0.000 0.442 353 V N -0.388 119.468 119.914 -0.096 0.000 2.343 353 V HA -0.209 4.154 4.120 0.404 0.000 0.247 353 V C 2.586 178.731 176.094 0.084 0.000 1.051 353 V CA 1.981 64.235 62.300 -0.077 0.000 1.036 353 V CB -0.325 31.441 31.823 -0.096 0.000 0.654 353 V HN 0.371 nan 8.190 nan 0.000 0.451 354 V N -0.541 119.455 119.914 0.137 0.000 2.407 354 V HA -0.266 4.097 4.120 0.404 0.000 0.248 354 V C 2.278 178.472 176.094 0.165 0.000 1.055 354 V CA 2.198 64.613 62.300 0.192 0.000 1.049 354 V CB -0.794 31.180 31.823 0.252 0.000 0.662 354 V HN 0.648 nan 8.190 nan 0.000 0.455 355 H N -0.084 118.885 119.070 -0.168 0.000 2.326 355 H HA -0.123 4.694 4.556 0.436 0.000 0.301 355 H C 2.250 177.551 175.328 -0.045 0.000 1.081 355 H CA 1.746 57.566 56.048 -0.379 0.000 1.334 355 H CB -0.272 28.622 29.762 -1.448 0.000 1.385 355 H HN 0.443 nan 8.280 nan 0.000 0.504 356 E N 0.818 121.122 120.200 0.173 0.000 2.153 356 E HA -0.112 4.480 4.350 0.404 0.000 0.194 356 E C 1.986 178.791 176.600 0.341 0.000 0.988 356 E CA 0.859 57.419 56.400 0.268 0.000 0.811 356 E CB -0.431 29.226 29.700 -0.072 0.000 0.746 356 E HN 0.490 nan 8.360 nan 0.000 0.466 357 I N 0.542 121.329 120.570 0.363 0.000 2.226 357 I HA -0.323 4.089 4.170 0.404 0.000 0.245 357 I C 2.384 178.660 176.117 0.266 0.000 1.100 357 I CA 1.460 62.987 61.300 0.379 0.000 1.374 357 I CB -0.338 37.821 38.000 0.264 0.000 1.057 357 I HN 0.271 nan 8.210 nan 0.000 0.413 358 Q N 0.122 120.064 119.800 0.237 0.000 2.079 358 Q HA -0.219 4.364 4.340 0.404 0.000 0.200 358 Q C 2.320 178.412 176.000 0.153 0.000 0.974 358 Q CA 1.095 56.994 55.803 0.160 0.000 0.840 358 Q CB -0.362 28.486 28.738 0.182 0.000 0.898 358 Q HN 0.460 nan 8.270 nan 0.000 0.430 359 R N 0.495 121.174 120.500 0.297 0.000 2.075 359 R HA -0.139 4.443 4.340 0.404 0.000 0.232 359 R C 2.089 178.525 176.300 0.226 0.000 1.126 359 R CA 1.162 57.397 56.100 0.224 0.000 0.963 359 R CB -0.274 30.172 30.300 0.243 0.000 0.858 359 R HN 0.265 nan 8.270 nan 0.000 0.435 360 F N 1.922 121.957 119.950 0.142 0.000 2.186 360 F HA -0.114 4.651 4.527 0.398 0.000 0.299 360 F C 1.965 177.828 175.800 0.104 0.000 1.090 360 F CA 1.567 59.678 58.000 0.185 0.000 1.307 360 F CB -0.038 39.137 39.000 0.292 0.000 1.019 360 F HN 0.090 nan 8.300 nan 0.000 0.489 361 I N -1.288 119.302 120.570 0.032 0.000 3.251 361 I HA 0.081 4.493 4.170 0.404 0.000 0.277 361 I C 0.737 176.747 176.117 -0.178 0.000 1.268 361 I CA 0.772 61.918 61.300 -0.256 0.000 1.449 361 I CB -1.497 36.225 38.000 -0.464 0.000 1.083 361 I HN 0.204 nan 8.210 nan 0.000 0.464 362 T N -0.192 114.288 114.554 -0.123 0.000 3.433 362 T HA -0.239 4.353 4.350 0.404 0.000 0.412 362 T C 0.485 175.125 174.700 -0.100 0.000 0.768 362 T CA 0.941 62.950 62.100 -0.152 0.000 2.077 362 T CB -2.325 66.373 68.868 -0.284 0.000 1.700 362 T HN 0.575 nan 8.240 nan 0.000 0.666 363 L N 1.594 122.782 121.223 -0.058 0.000 2.046 363 L HA 0.280 4.862 4.340 0.404 0.000 0.208 363 L C 1.609 178.508 176.870 0.048 0.000 1.077 363 L CA 2.060 56.916 54.840 0.026 0.000 0.747 363 L CB 0.109 42.200 42.059 0.052 0.000 0.896 363 L HN 1.046 nan 8.230 nan 0.000 0.432 364 V N -1.143 118.756 119.914 -0.024 0.000 2.315 364 V HA 0.412 4.774 4.120 0.404 0.000 0.265 364 V C -1.813 174.231 176.094 -0.084 0.000 1.019 364 V CA -1.385 60.888 62.300 -0.045 0.000 0.824 364 V CB 0.779 32.544 31.823 -0.097 0.000 1.072 364 V HN 0.095 nan 8.190 nan 0.000 0.448 365 P HA -0.030 nan 4.420 nan 0.000 0.217 365 P C 1.047 178.333 177.300 -0.023 0.000 1.150 365 P CA 1.174 64.236 63.100 -0.064 0.000 0.832 365 P CB 0.382 32.045 31.700 -0.062 0.000 0.787 366 S N -0.914 114.784 115.700 -0.003 0.000 2.572 366 S HA 0.107 4.819 4.470 0.404 0.000 0.228 366 S C 0.541 175.130 174.600 -0.018 0.000 0.963 366 S CA -0.371 57.870 58.200 0.068 0.000 0.939 366 S CB -0.816 62.470 63.200 0.144 0.000 0.804 366 S HN 0.179 nan 8.310 nan 0.000 0.480 367 N N 0.549 119.206 118.700 -0.072 0.000 5.393 367 N HA -0.216 4.766 4.740 0.404 0.000 0.330 367 N C -1.157 174.262 175.510 -0.152 0.000 0.915 367 N CA 0.523 53.515 53.050 -0.097 0.000 1.070 367 N CB -0.920 37.526 38.487 -0.068 0.000 0.848 367 N HN 0.274 nan 8.380 nan 0.000 0.486 368 L N 1.909 123.050 121.223 -0.136 0.000 2.346 368 L HA 0.660 5.242 4.340 0.404 0.000 0.276 368 L C -1.950 174.854 176.870 -0.109 0.000 1.006 368 L CA -1.545 53.171 54.840 -0.207 0.000 0.817 368 L CB 1.640 43.543 42.059 -0.261 0.000 1.272 368 L HN 0.448 nan 8.230 nan 0.000 0.421 369 P HA 0.168 nan 4.420 nan 0.000 0.271 369 P C -1.098 176.109 177.300 -0.155 0.000 1.218 369 P CA -0.007 63.043 63.100 -0.083 0.000 0.780 369 P CB 0.659 32.316 31.700 -0.071 0.000 0.901 370 H N 0.356 119.294 119.070 -0.219 0.000 2.731 370 H HA 0.445 5.239 4.556 0.397 0.000 0.368 370 H C -0.529 174.636 175.328 -0.271 0.000 1.168 370 H CA -0.442 55.460 56.048 -0.242 0.000 1.181 370 H CB 2.688 32.294 29.762 -0.259 0.000 1.743 370 H HN 0.498 nan 8.280 nan 0.000 0.547 371 E N 0.226 120.343 120.200 -0.139 0.000 2.343 371 E HA 0.551 5.143 4.350 0.404 0.000 0.270 371 E C -1.435 175.088 176.600 -0.128 0.000 0.895 371 E CA -0.968 55.333 56.400 -0.165 0.000 0.767 371 E CB 2.032 31.656 29.700 -0.126 0.000 1.248 371 E HN 0.693 nan 8.360 nan 0.000 0.440 372 A N 2.170 124.910 122.820 -0.133 0.000 2.302 372 A HA 0.271 4.833 4.320 0.404 0.000 0.295 372 A C 0.880 178.522 177.584 0.096 0.000 1.235 372 A CA -0.060 52.009 52.037 0.054 0.000 0.876 372 A CB 0.312 19.335 19.000 0.038 0.000 1.133 372 A HN 0.793 nan 8.150 nan 0.000 0.533 373 T N 1.291 115.936 114.554 0.152 0.000 2.737 373 T HA -0.058 4.534 4.350 0.404 0.000 0.265 373 T C 0.928 175.677 174.700 0.081 0.000 1.038 373 T CA 1.520 63.675 62.100 0.092 0.000 1.144 373 T CB -0.308 68.619 68.868 0.098 0.000 0.866 373 T HN 0.870 nan 8.240 nan 0.000 0.434 374 R N 0.737 121.301 120.500 0.106 0.000 2.867 374 R HA 0.536 5.119 4.340 0.404 0.000 0.268 374 R C -1.816 174.541 176.300 0.095 0.000 1.014 374 R CA -0.987 55.161 56.100 0.080 0.000 0.946 374 R CB 0.837 31.175 30.300 0.065 0.000 1.208 374 R HN -0.172 nan 8.270 nan 0.000 0.477 375 D N 1.287 121.730 120.400 0.072 0.000 2.525 375 D HA 0.156 5.038 4.640 0.404 0.000 0.235 375 D C -0.568 175.792 176.300 0.101 0.000 1.137 375 D CA 0.974 55.020 54.000 0.076 0.000 0.868 375 D CB 0.968 41.801 40.800 0.055 0.000 1.180 375 D HN 0.469 nan 8.370 nan 0.000 0.465 376 T N 1.556 116.188 114.554 0.130 0.000 2.883 376 T HA 0.553 5.145 4.350 0.404 0.000 0.301 376 T C -0.403 174.397 174.700 0.167 0.000 1.158 376 T CA -0.598 61.597 62.100 0.160 0.000 1.007 376 T CB 1.249 70.246 68.868 0.214 0.000 1.186 376 T HN 0.041 nan 8.240 nan 0.000 0.499 377 I N 2.091 122.766 120.570 0.175 0.000 2.362 377 I HA 0.504 4.917 4.170 0.404 0.000 0.289 377 I C -1.123 175.110 176.117 0.194 0.000 0.994 377 I CA -0.485 60.910 61.300 0.158 0.000 1.158 377 I CB 0.987 39.044 38.000 0.094 0.000 1.315 377 I HN 0.530 nan 8.210 nan 0.000 0.451 378 F N 6.831 126.783 119.950 0.003 0.000 2.427 378 F HA 0.646 5.414 4.527 0.401 0.000 0.348 378 F C 0.920 176.667 175.800 -0.088 0.000 1.125 378 F CA -0.228 57.713 58.000 -0.099 0.000 0.989 378 F CB 0.314 39.245 39.000 -0.115 0.000 1.165 378 F HN 0.548 nan 8.300 nan 0.000 0.442 379 R N 2.219 122.445 120.500 -0.456 0.000 3.982 379 R HA -0.248 4.334 4.340 0.404 0.000 0.360 379 R C 1.241 177.362 176.300 -0.298 0.000 0.241 379 R CA 1.558 57.441 56.100 -0.363 0.000 1.177 379 R CB -1.596 28.515 30.300 -0.315 0.000 1.024 379 R HN 0.873 nan 8.270 nan 0.000 0.550 380 G N -0.888 107.595 108.800 -0.529 0.000 3.042 380 G HA2 0.208 4.410 3.960 0.404 0.000 0.212 380 G HA3 0.208 4.410 3.960 0.404 0.000 0.212 380 G C -0.475 174.272 174.900 -0.256 0.000 1.166 380 G CA 0.178 45.029 45.100 -0.415 0.000 0.767 380 G HN 0.225 nan 8.290 nan 0.000 0.546 381 Y N -0.941 119.402 120.300 0.072 0.000 2.488 381 Y HA 0.636 5.428 4.550 0.402 0.000 0.325 381 Y C -0.015 175.928 175.900 0.073 0.000 1.204 381 Y CA -2.108 56.033 58.100 0.068 0.000 1.229 381 Y CB 1.284 39.788 38.460 0.072 0.000 1.274 381 Y HN -0.086 nan 8.280 nan 0.000 0.493 382 L N 2.246 123.609 121.223 0.233 0.000 2.296 382 L HA 0.620 5.203 4.340 0.404 0.000 0.286 382 L C -1.458 175.476 176.870 0.106 0.000 1.023 382 L CA -0.332 54.593 54.840 0.142 0.000 0.812 382 L CB 0.499 42.615 42.059 0.097 0.000 1.223 382 L HN 0.447 nan 8.230 nan 0.000 0.421 383 I N 7.937 128.570 120.570 0.105 0.000 2.355 383 I HA 0.485 4.897 4.170 0.404 0.000 0.288 383 I C -2.062 174.085 176.117 0.051 0.000 0.999 383 I CA -1.976 59.353 61.300 0.050 0.000 1.163 383 I CB 1.402 39.446 38.000 0.073 0.000 1.316 383 I HN 0.548 nan 8.210 nan 0.000 0.454 384 P HA 0.101 nan 4.420 nan 0.000 0.272 384 P C -0.685 176.622 177.300 0.012 0.000 1.240 384 P CA -0.718 62.390 63.100 0.014 0.000 0.791 384 P CB 0.666 32.364 31.700 -0.004 0.000 0.978 385 K N 0.261 120.672 120.400 0.019 0.000 2.326 385 K HA 0.322 4.884 4.320 0.404 0.000 0.275 385 K C 1.029 177.621 176.600 -0.013 0.000 1.018 385 K CA 0.593 56.889 56.287 0.015 0.000 0.962 385 K CB -0.668 31.846 32.500 0.022 0.000 0.953 385 K HN 0.795 nan 8.250 nan 0.000 0.475 386 G N 2.206 110.989 108.800 -0.028 0.000 2.176 386 G HA2 -0.236 3.966 3.960 0.404 0.000 0.253 386 G HA3 -0.236 3.966 3.960 0.404 0.000 0.253 386 G C 0.192 175.042 174.900 -0.084 0.000 0.979 386 G CA 0.421 45.491 45.100 -0.050 0.000 0.641 386 G HN 0.669 nan 8.290 nan 0.000 0.530 387 T N 0.591 115.081 114.554 -0.106 0.000 2.898 387 T HA 0.451 5.043 4.350 0.404 0.000 0.301 387 T C 0.564 175.129 174.700 -0.224 0.000 1.049 387 T CA 0.226 62.226 62.100 -0.166 0.000 1.095 387 T CB 2.004 70.763 68.868 -0.182 0.000 0.976 387 T HN 0.492 nan 8.240 nan 0.000 0.539 388 V N 3.727 123.492 119.914 -0.249 0.000 2.370 388 V HA 0.351 4.713 4.120 0.404 0.000 0.279 388 V C 0.022 175.906 176.094 -0.349 0.000 1.029 388 V CA -0.653 61.493 62.300 -0.257 0.000 0.870 388 V CB 1.414 33.115 31.823 -0.202 0.000 0.984 388 V HN 0.623 nan 8.190 nan 0.000 0.451 389 V N 6.008 125.681 119.914 -0.402 0.000 2.398 389 V HA 0.473 4.835 4.120 0.404 0.000 0.286 389 V C -0.195 175.657 176.094 -0.402 0.000 1.026 389 V CA -0.456 61.523 62.300 -0.535 0.000 0.868 389 V CB 2.026 33.323 31.823 -0.877 0.000 0.982 389 V HN 0.620 nan 8.190 nan 0.000 0.443 390 V N 7.901 127.558 119.914 -0.428 0.000 2.378 390 V HA 0.446 4.808 4.120 0.404 0.000 0.288 390 V C -2.629 173.260 176.094 -0.342 0.000 1.016 390 V CA -1.816 60.281 62.300 -0.338 0.000 0.840 390 V CB 2.099 33.700 31.823 -0.369 0.000 0.994 390 V HN 0.744 nan 8.190 nan 0.000 0.431 391 P HA 0.346 nan 4.420 nan 0.000 0.300 391 P C -0.424 176.784 177.300 -0.153 0.000 1.375 391 P CA -0.351 62.609 63.100 -0.233 0.000 0.864 391 P CB 0.947 32.486 31.700 -0.268 0.000 0.958 392 T N 1.106 115.587 114.554 -0.122 0.000 2.733 392 T HA 0.331 4.923 4.350 0.404 0.000 0.294 392 T C 1.212 175.862 174.700 -0.083 0.000 0.956 392 T CA -0.651 61.412 62.100 -0.061 0.000 0.987 392 T CB 0.221 69.104 68.868 0.025 0.000 0.920 392 T HN 0.071 nan 8.240 nan 0.000 0.470 393 L N 2.144 123.323 121.223 -0.073 0.000 2.056 393 L HA -0.011 4.571 4.340 0.404 0.000 0.207 393 L C 2.689 179.512 176.870 -0.079 0.000 1.078 393 L CA 1.337 56.133 54.840 -0.074 0.000 0.749 393 L CB -0.624 41.381 42.059 -0.090 0.000 0.901 393 L HN 0.725 nan 8.230 nan 0.000 0.433 394 D N 0.022 120.356 120.400 -0.109 0.000 2.218 394 D HA -0.193 4.689 4.640 0.404 0.000 0.204 394 D C 2.050 178.259 176.300 -0.151 0.000 0.976 394 D CA 1.585 55.471 54.000 -0.190 0.000 0.853 394 D CB -0.412 40.246 40.800 -0.237 0.000 0.939 394 D HN 0.407 nan 8.370 nan 0.000 0.481 395 S N 0.130 115.737 115.700 -0.155 0.000 2.382 395 S HA -0.119 4.594 4.470 0.404 0.000 0.228 395 S C 2.183 176.758 174.600 -0.042 0.000 1.027 395 S CA 1.067 59.112 58.200 -0.257 0.000 0.991 395 S CB -0.813 61.871 63.200 -0.861 0.000 0.823 395 S HN 0.193 nan 8.310 nan 0.000 0.469 396 V N 1.908 121.837 119.914 0.025 0.000 2.379 396 V HA 0.044 4.406 4.120 0.404 0.000 0.245 396 V C 2.324 178.622 176.094 0.340 0.000 1.044 396 V CA 1.419 63.837 62.300 0.197 0.000 1.036 396 V CB -0.747 31.167 31.823 0.152 0.000 0.664 396 V HN 0.476 nan 8.190 nan 0.000 0.453 397 L N -1.739 119.632 121.223 0.246 0.000 2.599 397 L HA 0.062 4.645 4.340 0.404 0.000 0.230 397 L C 1.309 178.435 176.870 0.426 0.000 1.141 397 L CA 0.885 55.898 54.840 0.287 0.000 0.877 397 L CB -0.190 41.949 42.059 0.133 0.000 1.009 397 L HN 0.380 nan 8.230 nan 0.000 0.447 398 Y N -0.939 119.421 120.300 0.100 0.000 2.696 398 Y HA 0.135 4.923 4.550 0.397 0.000 0.260 398 Y C 0.402 176.383 175.900 0.135 0.000 1.165 398 Y CA -1.129 57.017 58.100 0.076 0.000 1.189 398 Y CB 0.551 39.023 38.460 0.020 0.000 1.180 398 Y HN 0.057 nan 8.280 nan 0.000 0.538 399 D N 1.257 121.851 120.400 0.324 0.000 2.493 399 D HA -0.109 4.773 4.640 0.404 0.000 0.240 399 D C 1.062 177.387 176.300 0.042 0.000 1.142 399 D CA 0.494 54.588 54.000 0.157 0.000 0.872 399 D CB 0.692 41.527 40.800 0.059 0.000 1.173 399 D HN 0.370 nan 8.370 nan 0.000 0.467 400 N N 2.621 121.335 118.700 0.023 0.000 2.336 400 N HA -0.082 4.901 4.740 0.404 0.000 0.189 400 N C 0.723 176.188 175.510 -0.074 0.000 1.113 400 N CA 0.573 53.617 53.050 -0.010 0.000 0.858 400 N CB 0.339 38.840 38.487 0.023 0.000 0.970 400 N HN 0.354 nan 8.380 nan 0.000 0.471 401 Q N 0.051 119.770 119.800 -0.135 0.000 2.304 401 Q HA 0.056 4.638 4.340 0.404 0.000 0.204 401 Q C 1.333 177.105 176.000 -0.380 0.000 0.936 401 Q CA 0.737 56.422 55.803 -0.198 0.000 0.878 401 Q CB -0.022 28.619 28.738 -0.160 0.000 0.983 401 Q HN 0.464 nan 8.270 nan 0.000 0.516 402 E N 0.040 119.857 120.200 -0.637 0.000 2.072 402 E HA -0.071 4.521 4.350 0.404 0.000 0.191 402 E C -0.453 175.531 176.600 -1.027 0.000 0.985 402 E CA 0.913 56.649 56.400 -1.106 0.000 0.801 402 E CB 0.190 28.730 29.700 -1.932 0.000 0.750 402 E HN 0.084 nan 8.360 nan 0.000 0.452 403 F N 0.667 120.416 119.950 -0.336 0.000 2.564 403 F HA 0.407 5.170 4.527 0.394 0.000 0.361 403 F C -2.274 173.420 175.800 -0.177 0.000 1.161 403 F CA -2.984 54.817 58.000 -0.331 0.000 1.198 403 F CB 1.426 40.049 39.000 -0.628 0.000 1.424 403 F HN -0.185 nan 8.300 nan 0.000 0.517 404 P HA 0.016 nan 4.420 nan 0.000 0.266 404 P C 0.003 177.380 177.300 0.128 0.000 1.195 404 P CA 0.423 63.549 63.100 0.043 0.000 0.768 404 P CB 0.474 32.172 31.700 -0.003 0.000 0.838 405 D N 1.881 122.315 120.400 0.057 0.000 2.697 405 D HA -0.128 4.755 4.640 0.404 0.000 0.238 405 D C -1.254 175.076 176.300 0.050 0.000 1.152 405 D CA 0.258 54.293 54.000 0.058 0.000 0.666 405 D CB -0.390 40.441 40.800 0.051 0.000 1.037 405 D HN 0.365 nan 8.370 nan 0.000 0.423 406 P HA -0.194 nan 4.420 nan 0.000 0.220 406 P C 1.537 178.516 177.300 -0.535 0.000 1.148 406 P CA 1.151 64.040 63.100 -0.351 0.000 0.803 406 P CB 0.187 31.694 31.700 -0.321 0.000 0.782 407 E N 0.242 120.310 120.200 -0.220 0.000 2.153 407 E HA -0.124 4.468 4.350 0.404 0.000 0.194 407 E C 0.375 177.072 176.600 0.161 0.000 0.988 407 E CA 0.989 57.355 56.400 -0.058 0.000 0.811 407 E CB -0.561 29.177 29.700 0.065 0.000 0.746 407 E HN 0.099 nan 8.360 nan 0.000 0.466 408 K N 1.014 121.520 120.400 0.177 0.000 2.237 408 K HA 0.186 4.748 4.320 0.404 0.000 0.270 408 K C -0.539 176.254 176.600 0.321 0.000 1.015 408 K CA -0.783 55.656 56.287 0.253 0.000 0.949 408 K CB 0.048 32.617 32.500 0.115 0.000 0.976 408 K HN 0.045 nan 8.250 nan 0.000 0.472 409 F N 2.639 122.565 119.950 -0.041 0.000 2.413 409 F HA 0.198 4.965 4.527 0.400 0.000 0.359 409 F C -0.171 175.457 175.800 -0.287 0.000 1.122 409 F CA -0.123 57.703 58.000 -0.289 0.000 1.160 409 F CB 0.363 38.937 39.000 -0.710 0.000 1.146 409 F HN 0.256 nan 8.300 nan 0.000 0.514 410 K N 7.653 127.774 120.400 -0.466 0.000 2.541 410 K HA 0.295 4.857 4.320 0.404 0.000 0.250 410 K C -2.270 174.015 176.600 -0.526 0.000 0.950 410 K CA -1.640 54.319 56.287 -0.545 0.000 0.805 410 K CB 2.249 34.346 32.500 -0.672 0.000 1.166 410 K HN 0.193 nan 8.250 nan 0.000 0.430 411 P HA -0.153 nan 4.420 nan 0.000 0.230 411 P C 0.168 177.364 177.300 -0.174 0.000 1.158 411 P CA 0.803 63.701 63.100 -0.336 0.000 0.769 411 P CB 0.324 31.746 31.700 -0.462 0.000 0.807 412 E N -1.657 118.403 120.200 -0.233 0.000 2.494 412 E HA -0.107 4.485 4.350 0.404 0.000 0.193 412 E C 0.980 177.451 176.600 -0.215 0.000 1.074 412 E CA 0.393 56.691 56.400 -0.171 0.000 0.867 412 E CB -1.002 28.604 29.700 -0.156 0.000 0.924 412 E HN 0.487 nan 8.360 nan 0.000 0.502 413 H N -0.483 118.464 119.070 -0.204 0.000 2.423 413 H HA 0.001 4.801 4.556 0.407 0.000 0.297 413 H C 0.530 175.544 175.328 -0.523 0.000 1.075 413 H CA 1.133 56.992 56.048 -0.315 0.000 1.342 413 H CB 0.086 29.625 29.762 -0.371 0.000 1.395 413 H HN 0.105 nan 8.280 nan 0.000 0.530 414 F N -0.008 119.909 119.950 -0.055 0.000 2.654 414 F HA 0.278 5.050 4.527 0.409 0.000 0.303 414 F C -0.186 175.395 175.800 -0.365 0.000 1.099 414 F CA -0.007 57.826 58.000 -0.279 0.000 1.270 414 F CB 0.611 39.430 39.000 -0.302 0.000 1.024 414 F HN -0.079 nan 8.300 nan 0.000 0.548 415 L N 0.616 121.789 121.223 -0.083 0.000 2.346 415 L HA 0.402 4.984 4.340 0.404 0.000 0.274 415 L C -0.329 176.494 176.870 -0.078 0.000 1.007 415 L CA -1.105 53.708 54.840 -0.046 0.000 0.818 415 L CB 1.715 43.787 42.059 0.022 0.000 1.284 415 L HN 0.064 nan 8.230 nan 0.000 0.424 416 N N 0.071 118.738 118.700 -0.055 0.000 2.448 416 N HA 0.140 5.122 4.740 0.404 0.000 0.274 416 N C 0.184 175.676 175.510 -0.030 0.000 1.239 416 N CA -0.676 52.343 53.050 -0.053 0.000 0.982 416 N CB 0.534 38.994 38.487 -0.045 0.000 1.199 416 N HN 0.414 nan 8.380 nan 0.000 0.576 417 E N -1.602 118.579 120.200 -0.032 0.000 2.478 417 E HA -0.033 4.560 4.350 0.404 0.000 0.198 417 E C 0.185 176.778 176.600 -0.012 0.000 1.046 417 E CA 0.600 56.984 56.400 -0.026 0.000 0.870 417 E CB -0.328 29.354 29.700 -0.030 0.000 0.818 417 E HN 0.619 nan 8.360 nan 0.000 0.527 418 N N -1.066 117.632 118.700 -0.003 0.000 2.230 418 N HA 0.098 5.080 4.740 0.404 0.000 0.202 418 N C 0.595 176.116 175.510 0.019 0.000 1.119 418 N CA 0.550 53.603 53.050 0.006 0.000 0.851 418 N CB 0.784 39.276 38.487 0.009 0.000 0.990 418 N HN 0.154 nan 8.380 nan 0.000 0.497 419 G N 0.225 109.040 108.800 0.025 0.000 2.179 419 G HA2 -0.298 3.904 3.960 0.404 0.000 0.260 419 G HA3 -0.298 3.904 3.960 0.404 0.000 0.260 419 G C 0.282 175.229 174.900 0.079 0.000 0.977 419 G CA 0.361 45.490 45.100 0.049 0.000 0.641 419 G HN 0.306 nan 8.290 nan 0.000 0.533 420 K N 0.149 120.591 120.400 0.069 0.000 2.090 420 K HA 0.655 5.217 4.320 0.404 0.000 0.250 420 K C 0.176 176.855 176.600 0.131 0.000 1.004 420 K CA -1.852 54.497 56.287 0.103 0.000 0.919 420 K CB 0.038 32.587 32.500 0.081 0.000 1.045 420 K HN 0.102 nan 8.250 nan 0.000 0.471 421 F N 1.833 121.797 119.950 0.024 0.000 2.553 421 F HA 0.184 4.941 4.527 0.384 0.000 0.356 421 F C 0.258 176.084 175.800 0.043 0.000 1.142 421 F CA 0.498 58.507 58.000 0.014 0.000 1.322 421 F CB 0.531 39.516 39.000 -0.026 0.000 1.126 421 F HN 0.402 nan 8.300 nan 0.000 0.599 422 K N 6.287 126.190 120.400 -0.827 0.000 2.502 422 K HA 0.193 4.756 4.320 0.404 0.000 0.254 422 K C -1.490 174.770 176.600 -0.567 0.000 0.947 422 K CA -0.778 55.212 56.287 -0.495 0.000 0.834 422 K CB 0.775 33.117 32.500 -0.265 0.000 1.112 422 K HN 0.671 nan 8.250 nan 0.000 0.427 423 Y N 2.294 122.432 120.300 -0.270 0.000 2.379 423 Y HA 0.255 5.030 4.550 0.376 0.000 0.337 423 Y C -0.522 175.434 175.900 0.093 0.000 1.238 423 Y CA 0.609 58.725 58.100 0.026 0.000 1.405 423 Y CB 1.286 39.853 38.460 0.178 0.000 1.310 423 Y HN 0.476 nan 8.280 nan 0.000 0.569 424 S N 3.600 119.007 115.700 -0.488 0.000 2.557 424 S HA 0.163 4.875 4.470 0.404 0.000 0.291 424 S C -0.106 174.233 174.600 -0.436 0.000 1.116 424 S CA -0.750 57.270 58.200 -0.300 0.000 0.992 424 S CB 1.163 64.451 63.200 0.146 0.000 1.028 424 S HN 0.878 nan 8.310 nan 0.000 0.484 425 D N 2.182 122.488 120.400 -0.158 0.000 2.371 425 D HA 0.059 4.942 4.640 0.404 0.000 0.221 425 D C 0.529 176.944 176.300 0.191 0.000 0.986 425 D CA 1.006 55.024 54.000 0.029 0.000 0.899 425 D CB 0.087 40.988 40.800 0.168 0.000 0.902 425 D HN 0.704 nan 8.370 nan 0.000 0.530 426 Y N -1.256 119.073 120.300 0.049 0.000 2.466 426 Y HA 0.133 4.922 4.550 0.397 0.000 0.272 426 Y C 0.184 176.319 175.900 0.392 0.000 1.169 426 Y CA -0.561 57.655 58.100 0.193 0.000 1.285 426 Y CB 0.196 38.694 38.460 0.063 0.000 1.078 426 Y HN -0.090 nan 8.280 nan 0.000 0.523 427 F N 2.620 122.794 119.950 0.374 0.000 2.462 427 F HA 0.332 5.130 4.527 0.451 0.000 0.354 427 F C -0.439 175.512 175.800 0.253 0.000 1.192 427 F CA -0.795 57.416 58.000 0.352 0.000 1.173 427 F CB 0.111 39.354 39.000 0.406 0.000 1.402 427 F HN -0.268 nan 8.300 nan 0.000 0.595 428 K N 6.986 127.316 120.400 -0.117 0.000 2.954 428 K HA 0.302 4.865 4.320 0.404 0.000 0.171 428 K C -2.248 174.204 176.600 -0.248 0.000 1.079 428 K CA -1.925 54.284 56.287 -0.130 0.000 0.908 428 K CB 0.672 33.180 32.500 0.013 0.000 1.142 428 K HN 0.277 nan 8.250 nan 0.000 0.613 429 P HA 0.001 nan 4.420 nan 0.000 0.221 429 P C 0.437 177.440 177.300 -0.494 0.000 1.150 429 P CA 0.856 63.633 63.100 -0.537 0.000 0.800 429 P CB 0.104 31.314 31.700 -0.816 0.000 0.787 430 F N -1.769 118.081 119.950 -0.167 0.000 2.727 430 F HA 0.303 4.836 4.527 0.010 0.000 0.302 430 F C 1.345 177.108 175.800 -0.063 0.000 1.097 430 F CA 0.159 58.103 58.000 -0.092 0.000 1.330 430 F CB -0.398 38.563 39.000 -0.064 0.000 1.084 430 F HN -0.159 nan 8.300 nan 0.000 0.578 431 S N -0.488 115.250 115.700 0.063 0.000 3.784 431 S HA -0.189 4.524 4.470 0.404 0.000 0.636 431 S C -0.165 174.481 174.600 0.076 0.000 2.075 431 S CA 0.521 58.747 58.200 0.044 0.000 2.280 431 S CB -1.056 62.174 63.200 0.051 0.000 0.330 431 S HN 0.486 nan 8.310 nan 0.000 1.762 432 T N -0.313 114.278 114.554 0.062 0.000 2.749 432 T HA 0.667 5.259 4.350 0.404 0.000 0.310 432 T C 0.323 175.067 174.700 0.074 0.000 1.496 432 T CA 1.357 63.499 62.100 0.070 0.000 1.006 432 T CB 0.518 69.420 68.868 0.058 0.000 1.457 432 T HN 2.739 nan 8.240 nan 0.000 0.497 433 G N 2.189 111.037 108.800 0.079 0.000 2.484 433 G HA2 -0.152 4.050 3.960 0.404 0.000 0.225 433 G HA3 -0.152 4.050 3.960 0.404 0.000 0.225 433 G C 0.419 175.396 174.900 0.127 0.000 1.250 433 G CA 0.634 45.791 45.100 0.095 0.000 0.926 433 G HN 0.925 nan 8.290 nan 0.000 0.581 434 K N 0.389 120.891 120.400 0.170 0.000 2.283 434 K HA 0.114 4.677 4.320 0.404 0.000 0.202 434 K C 1.956 178.740 176.600 0.306 0.000 1.048 434 K CA 1.718 58.147 56.287 0.237 0.000 0.948 434 K CB -0.098 32.572 32.500 0.285 0.000 0.742 434 K HN 0.390 nan 8.250 nan 0.000 0.458 435 R N -0.281 120.363 120.500 0.240 0.000 2.659 435 R HA 0.158 4.740 4.340 0.404 0.000 0.418 435 R C -0.882 175.492 176.300 0.123 0.000 1.076 435 R CA -0.249 55.971 56.100 0.200 0.000 1.093 435 R CB 1.185 31.506 30.300 0.035 0.000 1.400 435 R HN -0.039 nan 8.270 nan 0.000 0.583 436 V N 1.771 121.760 119.914 0.126 0.000 2.694 436 V HA -0.071 4.291 4.120 0.404 0.000 0.306 436 V C 0.998 177.134 176.094 0.070 0.000 1.054 436 V CA -0.408 61.949 62.300 0.095 0.000 1.161 436 V CB 0.460 32.331 31.823 0.081 0.000 0.916 436 V HN 0.662 nan 8.190 nan 0.000 0.490 437 C N 6.810 126.158 119.300 0.082 0.000 1.842 437 C HA 0.114 4.817 4.460 0.404 0.000 0.412 437 C C 1.149 176.151 174.990 0.019 0.000 1.526 437 C CA -0.071 58.988 59.018 0.069 0.000 1.520 437 C CB -1.558 26.312 27.740 0.216 0.000 2.734 437 C HN 1.586 nan 8.230 nan 0.000 0.564 438 A N 5.130 127.948 122.820 -0.004 0.000 2.922 438 A HA 0.574 5.136 4.320 0.404 0.000 0.298 438 A C 1.205 178.767 177.584 -0.036 0.000 1.588 438 A CA 0.484 52.508 52.037 -0.022 0.000 1.288 438 A CB -0.778 18.210 19.000 -0.021 0.000 1.130 438 A HN 2.576 nan 8.150 nan 0.000 0.557 439 G N 0.963 109.728 108.800 -0.057 0.000 2.598 439 G HA2 -0.121 4.082 3.960 0.404 0.000 0.221 439 G HA3 -0.121 4.082 3.960 0.404 0.000 0.221 439 G C 0.478 175.294 174.900 -0.139 0.000 1.019 439 G CA 0.227 45.289 45.100 -0.064 0.000 0.912 439 G HN 0.608 nan 8.290 nan 0.000 0.574 440 E N 0.081 120.115 120.200 -0.277 0.000 2.333 440 E HA -0.086 4.507 4.350 0.404 0.000 0.200 440 E C 2.194 178.526 176.600 -0.448 0.000 1.010 440 E CA 1.719 57.708 56.400 -0.686 0.000 0.841 440 E CB -0.266 29.031 29.700 -0.671 0.000 0.757 440 E HN 0.507 nan 8.360 nan 0.000 0.508 441 G N 0.700 109.376 108.800 -0.206 0.000 2.441 441 G HA2 -0.153 4.049 3.960 0.404 0.000 0.212 441 G HA3 -0.153 4.049 3.960 0.404 0.000 0.212 441 G C 1.378 176.255 174.900 -0.038 0.000 1.164 441 G CA 0.208 45.244 45.100 -0.106 0.000 0.811 441 G HN 0.243 nan 8.290 nan 0.000 0.535 442 L N 1.721 122.934 121.223 -0.016 0.000 2.046 442 L HA 0.164 4.746 4.340 0.404 0.000 0.208 442 L C 3.005 179.916 176.870 0.068 0.000 1.077 442 L CA 2.082 56.945 54.840 0.038 0.000 0.747 442 L CB -0.880 41.205 42.059 0.043 0.000 0.896 442 L HN 0.238 nan 8.230 nan 0.000 0.432 443 A N -0.406 122.451 122.820 0.062 0.000 1.877 443 A HA -0.226 4.337 4.320 0.404 0.000 0.216 443 A C 2.420 180.107 177.584 0.172 0.000 1.186 443 A CA 1.859 53.988 52.037 0.154 0.000 0.620 443 A CB -0.523 18.640 19.000 0.272 0.000 0.822 443 A HN 0.488 nan 8.150 nan 0.000 0.443 444 R N -1.395 119.173 120.500 0.113 0.000 2.092 444 R HA 0.002 4.585 4.340 0.404 0.000 0.231 444 R C 2.312 178.688 176.300 0.127 0.000 1.119 444 R CA 1.493 57.668 56.100 0.125 0.000 0.970 444 R CB -0.328 29.997 30.300 0.041 0.000 0.864 444 R HN 0.531 nan 8.270 nan 0.000 0.440 445 M N 0.583 120.243 119.600 0.099 0.000 2.175 445 M HA -0.150 4.572 4.480 0.404 0.000 0.264 445 M C 1.720 178.137 176.300 0.195 0.000 1.063 445 M CA 1.599 56.976 55.300 0.130 0.000 1.119 445 M CB 0.025 32.679 32.600 0.091 0.000 1.377 445 M HN 0.167 nan 8.290 nan 0.000 0.415 446 E N 0.230 120.532 120.200 0.171 0.000 2.077 446 E HA -0.193 4.399 4.350 0.404 0.000 0.193 446 E C 1.985 178.698 176.600 0.189 0.000 0.989 446 E CA 1.205 57.711 56.400 0.177 0.000 0.800 446 E CB -0.259 29.536 29.700 0.159 0.000 0.746 446 E HN 0.511 nan 8.360 nan 0.000 0.452 447 L N 0.128 121.470 121.223 0.199 0.000 2.017 447 L HA -0.164 4.418 4.340 0.404 0.000 0.208 447 L C 2.495 179.489 176.870 0.207 0.000 1.073 447 L CA 1.167 56.123 54.840 0.193 0.000 0.745 447 L CB -0.454 41.724 42.059 0.198 0.000 0.894 447 L HN 0.087 nan 8.230 nan 0.000 0.432 448 F N 0.524 120.531 119.950 0.096 0.000 2.084 448 F HA -0.176 4.594 4.527 0.405 0.000 0.296 448 F C 2.208 178.065 175.800 0.095 0.000 1.111 448 F CA 1.488 59.541 58.000 0.087 0.000 1.224 448 F CB -0.126 38.914 39.000 0.067 0.000 0.991 448 F HN -0.163 nan 8.300 nan 0.000 0.471 449 L N -0.006 121.360 121.223 0.238 0.000 2.046 449 L HA -0.234 4.349 4.340 0.404 0.000 0.208 449 L C 2.542 179.427 176.870 0.026 0.000 1.077 449 L CA 1.145 56.046 54.840 0.100 0.000 0.747 449 L CB -0.850 41.346 42.059 0.229 0.000 0.896 449 L HN 0.263 nan 8.230 nan 0.000 0.432 450 L N -0.661 120.616 121.223 0.089 0.000 2.027 450 L HA -0.230 4.353 4.340 0.404 0.000 0.206 450 L C 2.591 179.500 176.870 0.064 0.000 1.074 450 L CA 0.968 55.864 54.840 0.094 0.000 0.745 450 L CB -0.374 41.762 42.059 0.129 0.000 0.898 450 L HN 0.266 nan 8.230 nan 0.000 0.433 451 L N -0.732 120.515 121.223 0.039 0.000 2.056 451 L HA -0.228 4.355 4.340 0.404 0.000 0.207 451 L C 2.587 179.444 176.870 -0.021 0.000 1.078 451 L CA 1.577 56.434 54.840 0.029 0.000 0.749 451 L CB -0.542 41.536 42.059 0.032 0.000 0.901 451 L HN 0.253 nan 8.230 nan 0.000 0.433 452 C N -0.764 118.445 119.300 -0.153 0.000 2.425 452 C HA -0.089 4.613 4.460 0.404 0.000 0.277 452 C C 2.989 177.964 174.990 -0.026 0.000 1.280 452 C CA 0.673 59.562 59.018 -0.215 0.000 1.744 452 C CB -1.271 26.104 27.740 -0.610 0.000 1.989 452 C HN 0.707 nan 8.230 nan 0.000 0.491 453 A N 0.204 123.036 122.820 0.020 0.000 1.898 453 A HA -0.072 4.490 4.320 0.404 0.000 0.216 453 A C 2.068 179.759 177.584 0.178 0.000 1.181 453 A CA 1.669 53.762 52.037 0.093 0.000 0.620 453 A CB -0.628 18.396 19.000 0.041 0.000 0.819 453 A HN 0.601 nan 8.150 nan 0.000 0.442 454 I N -0.431 120.237 120.570 0.164 0.000 2.264 454 I HA -0.241 4.171 4.170 0.404 0.000 0.248 454 I C 1.958 178.298 176.117 0.371 0.000 1.111 454 I CA 1.360 62.808 61.300 0.247 0.000 1.382 454 I CB -0.401 37.698 38.000 0.164 0.000 1.060 454 I HN 0.290 nan 8.210 nan 0.000 0.418 455 L N -0.255 121.138 121.223 0.284 0.000 2.509 455 L HA -0.030 4.552 4.340 0.404 0.000 0.222 455 L C 2.424 179.534 176.870 0.399 0.000 1.123 455 L CA 0.241 55.297 54.840 0.360 0.000 0.856 455 L CB -0.433 41.704 42.059 0.129 0.000 0.985 455 L HN 0.254 nan 8.230 nan 0.000 0.456 456 Q N 0.172 120.184 119.800 0.354 0.000 2.124 456 Q HA -0.207 4.376 4.340 0.404 0.000 0.202 456 Q C 1.358 177.439 176.000 0.134 0.000 0.977 456 Q CA 1.676 57.653 55.803 0.290 0.000 0.850 456 Q CB 0.172 29.204 28.738 0.491 0.000 0.901 456 Q HN 0.573 nan 8.270 nan 0.000 0.429 457 H N -2.562 116.555 119.070 0.078 0.000 2.827 457 H HA 0.317 5.115 4.556 0.404 0.000 0.269 457 H C -0.919 174.156 175.328 -0.421 0.000 1.031 457 H CA 0.036 55.986 56.048 -0.164 0.000 1.202 457 H CB 0.612 30.262 29.762 -0.187 0.000 1.511 457 H HN 0.029 nan 8.280 nan 0.000 0.517 458 F N -0.463 119.619 119.950 0.219 0.000 2.643 458 F HA 0.365 5.134 4.527 0.403 0.000 0.314 458 F C -0.524 175.394 175.800 0.196 0.000 1.096 458 F CA -1.106 56.997 58.000 0.172 0.000 0.953 458 F CB 1.788 40.898 39.000 0.183 0.000 1.345 458 F HN -0.207 nan 8.300 nan 0.000 0.468 459 N N 0.582 119.511 118.700 0.382 0.000 2.335 459 N HA 0.740 5.723 4.740 0.404 0.000 0.304 459 N C -1.752 173.935 175.510 0.295 0.000 1.135 459 N CA -0.747 52.499 53.050 0.326 0.000 0.817 459 N CB 1.839 40.433 38.487 0.178 0.000 1.294 459 N HN 0.313 nan 8.380 nan 0.000 0.497 460 L N 0.887 122.256 121.223 0.244 0.000 2.307 460 L HA 0.521 5.104 4.340 0.404 0.000 0.284 460 L C -0.032 176.915 176.870 0.129 0.000 1.023 460 L CA -0.639 54.303 54.840 0.170 0.000 0.810 460 L CB 1.256 43.389 42.059 0.124 0.000 1.231 460 L HN 0.360 nan 8.230 nan 0.000 0.423 461 K N 4.213 124.681 120.400 0.114 0.000 2.413 461 K HA 0.528 5.090 4.320 0.404 0.000 0.257 461 K C -2.712 173.922 176.600 0.057 0.000 0.946 461 K CA -1.659 54.678 56.287 0.084 0.000 0.823 461 K CB 2.383 34.943 32.500 0.100 0.000 1.109 461 K HN 0.181 nan 8.250 nan 0.000 0.427 462 P HA 0.111 nan 4.420 nan 0.000 0.276 462 P C 0.201 177.507 177.300 0.011 0.000 1.244 462 P CA -0.542 62.555 63.100 -0.005 0.000 0.801 462 P CB 0.741 32.417 31.700 -0.039 0.000 1.006 463 L N 0.496 121.724 121.223 0.008 0.000 2.607 463 L HA 0.156 4.738 4.340 0.404 0.000 0.228 463 L C 0.768 177.640 176.870 0.004 0.000 1.123 463 L CA 0.402 55.252 54.840 0.016 0.000 0.890 463 L CB -0.179 41.894 42.059 0.023 0.000 1.103 463 L HN 0.248 nan 8.230 nan 0.000 0.468 464 V N -5.423 114.484 119.914 -0.011 0.000 3.160 464 V HA 0.493 4.855 4.120 0.404 0.000 0.310 464 V C -0.299 175.779 176.094 -0.026 0.000 1.181 464 V CA -1.204 61.085 62.300 -0.017 0.000 1.047 464 V CB 2.547 34.355 31.823 -0.025 0.000 1.068 464 V HN -0.106 nan 8.190 nan 0.000 0.441 465 D N 1.413 121.798 120.400 -0.025 0.000 2.443 465 D HA 0.231 5.113 4.640 0.404 0.000 0.239 465 D C -1.803 174.466 176.300 -0.051 0.000 1.136 465 D CA -0.911 53.072 54.000 -0.029 0.000 0.879 465 D CB 2.165 42.953 40.800 -0.021 0.000 1.195 465 D HN 0.409 nan 8.370 nan 0.000 0.443 466 P HA -0.079 nan 4.420 nan 0.000 0.218 466 P C 0.989 178.220 177.300 -0.115 0.000 1.149 466 P CA 1.101 64.139 63.100 -0.103 0.000 0.817 466 P CB 0.297 31.945 31.700 -0.087 0.000 0.785 467 K N -0.682 119.675 120.400 -0.071 0.000 2.280 467 K HA -0.104 4.459 4.320 0.404 0.000 0.202 467 K C 0.564 177.128 176.600 -0.059 0.000 1.047 467 K CA 1.037 57.289 56.287 -0.058 0.000 0.942 467 K CB -0.273 32.211 32.500 -0.026 0.000 0.739 467 K HN 0.165 nan 8.250 nan 0.000 0.457 468 D N 0.247 120.610 120.400 -0.061 0.000 2.363 468 D HA 0.103 4.985 4.640 0.404 0.000 0.214 468 D C 0.473 176.734 176.300 -0.064 0.000 1.093 468 D CA 0.114 54.084 54.000 -0.050 0.000 0.837 468 D CB 0.324 41.102 40.800 -0.037 0.000 0.948 468 D HN 0.108 nan 8.370 nan 0.000 0.507 469 I N 0.774 121.284 120.570 -0.099 0.000 2.779 469 I HA 0.071 4.483 4.170 0.404 0.000 0.285 469 I C 0.439 176.507 176.117 -0.081 0.000 1.134 469 I CA 0.151 61.382 61.300 -0.114 0.000 1.398 469 I CB 0.701 38.592 38.000 -0.182 0.000 1.404 469 I HN -0.221 nan 8.210 nan 0.000 0.587 470 D N 5.111 125.476 120.400 -0.058 0.000 2.492 470 D HA 0.213 5.096 4.640 0.404 0.000 0.248 470 D C 0.032 176.340 176.300 0.014 0.000 1.101 470 D CA -0.476 53.515 54.000 -0.014 0.000 0.840 470 D CB 1.883 42.677 40.800 -0.010 0.000 1.209 470 D HN 0.179 nan 8.370 nan 0.000 0.524 471 L N 2.076 123.347 121.223 0.080 0.000 2.592 471 L HA 0.184 4.766 4.340 0.404 0.000 0.227 471 L C 0.820 177.836 176.870 0.244 0.000 1.127 471 L CA 0.353 55.308 54.840 0.192 0.000 0.884 471 L CB -0.985 41.242 42.059 0.280 0.000 1.065 471 L HN 0.240 nan 8.230 nan 0.000 0.457 472 S N 1.775 117.556 115.700 0.135 0.000 2.562 472 S HA 0.196 4.908 4.470 0.404 0.000 0.281 472 S C -2.109 172.535 174.600 0.074 0.000 1.333 472 S CA -0.702 57.555 58.200 0.094 0.000 1.052 472 S CB 0.581 63.807 63.200 0.043 0.000 0.884 472 S HN 0.113 nan 8.310 nan 0.000 0.506 473 P HA 0.136 nan 4.420 nan 0.000 0.271 473 P C 0.913 178.151 177.300 -0.103 0.000 1.216 473 P CA -0.299 62.807 63.100 0.009 0.000 0.776 473 P CB 0.365 32.085 31.700 0.033 0.000 0.881 474 I N -0.205 120.235 120.570 -0.216 0.000 2.353 474 I HA -0.018 4.394 4.170 0.404 0.000 0.248 474 I C 0.537 176.323 176.117 -0.551 0.000 1.119 474 I CA 1.169 62.231 61.300 -0.397 0.000 1.417 474 I CB -0.584 37.119 38.000 -0.495 0.000 1.078 474 I HN 0.243 nan 8.210 nan 0.000 0.421 475 H N 1.244 120.223 119.070 -0.151 0.000 2.768 475 H HA 0.661 5.459 4.556 0.402 0.000 0.371 475 H C -1.015 174.233 175.328 -0.134 0.000 1.151 475 H CA -1.009 54.939 56.048 -0.167 0.000 1.165 475 H CB 2.643 32.233 29.762 -0.287 0.000 1.722 475 H HN 0.058 nan 8.280 nan 0.000 0.543 476 I N 1.336 121.928 120.570 0.038 0.000 2.468 476 I HA 0.457 4.869 4.170 0.404 0.000 0.285 476 I C 0.492 176.612 176.117 0.006 0.000 1.039 476 I CA -0.185 61.115 61.300 -0.001 0.000 1.074 476 I CB 2.000 39.987 38.000 -0.023 0.000 1.228 476 I HN 0.781 nan 8.210 nan 0.000 0.436 477 G N 3.743 112.564 108.800 0.035 0.000 3.409 477 G HA2 0.052 4.254 3.960 0.404 0.000 0.168 477 G HA3 0.052 4.254 3.960 0.404 0.000 0.168 477 G C 0.293 175.291 174.900 0.164 0.000 1.403 477 G CA 0.027 45.174 45.100 0.078 0.000 1.195 477 G HN 0.346 nan 8.290 nan 0.000 0.751 478 F N 2.264 122.257 119.950 0.072 0.000 2.102 478 F HA 0.297 5.071 4.527 0.411 0.000 0.298 478 F C 1.489 177.397 175.800 0.180 0.000 1.105 478 F CA 1.989 60.077 58.000 0.145 0.000 1.239 478 F CB -0.024 39.120 39.000 0.239 0.000 0.991 478 F HN 0.437 nan 8.300 nan 0.000 0.474 479 G N -2.081 106.950 108.800 0.384 0.000 2.658 479 G HA2 0.450 4.652 3.960 0.404 0.000 0.292 479 G HA3 0.450 4.652 3.960 0.404 0.000 0.292 479 G C -1.920 172.966 174.900 -0.023 0.000 1.320 479 G CA -0.539 44.682 45.100 0.202 0.000 0.933 479 G HN 0.069 nan 8.290 nan 0.000 0.476 480 C N 1.168 120.448 119.300 -0.034 0.000 2.255 480 C HA 0.556 5.258 4.460 0.404 0.000 0.326 480 C C -0.192 174.767 174.990 -0.052 0.000 1.258 480 C CA -0.752 58.249 59.018 -0.030 0.000 1.676 480 C CB -0.585 27.163 27.740 0.012 0.000 2.314 480 C HN 0.410 nan 8.230 nan 0.000 0.509 481 I N 6.990 127.482 120.570 -0.129 0.000 2.336 481 I HA 0.383 4.796 4.170 0.404 0.000 0.292 481 I C -1.811 174.170 176.117 -0.227 0.000 0.991 481 I CA -2.969 58.200 61.300 -0.218 0.000 1.227 481 I CB 1.339 39.201 38.000 -0.229 0.000 1.366 481 I HN 0.359 nan 8.210 nan 0.000 0.466 482 P HA 0.312 nan 4.420 nan 0.000 0.276 482 P C -2.729 174.381 177.300 -0.317 0.000 1.244 482 P CA -1.650 61.084 63.100 -0.610 0.000 0.801 482 P CB -0.067 30.887 31.700 -1.245 0.000 1.006 483 P HA 0.201 nan 4.420 nan 0.000 0.274 483 P C -0.045 177.233 177.300 -0.036 0.000 1.231 483 P CA -0.058 62.974 63.100 -0.113 0.000 0.790 483 P CB 0.722 32.378 31.700 -0.073 0.000 0.951 484 R N 1.919 122.385 120.500 -0.057 0.000 2.491 484 R HA 0.324 4.906 4.340 0.404 0.000 0.283 484 R C -0.175 176.126 176.300 0.002 0.000 1.072 484 R CA 0.212 56.258 56.100 -0.090 0.000 1.048 484 R CB 0.044 30.281 30.300 -0.105 0.000 0.983 484 R HN 0.607 nan 8.270 nan 0.000 0.450 485 Y N -1.234 118.972 120.300 -0.157 0.000 2.609 485 Y HA 0.541 5.332 4.550 0.402 0.000 0.336 485 Y C -1.302 174.493 175.900 -0.175 0.000 1.129 485 Y CA -1.425 56.587 58.100 -0.147 0.000 1.040 485 Y CB 1.477 39.850 38.460 -0.146 0.000 1.310 485 Y HN 0.170 nan 8.280 nan 0.000 0.460 486 K N 2.485 122.876 120.400 -0.015 0.000 2.328 486 K HA 0.734 5.296 4.320 0.404 0.000 0.246 486 K C -1.606 174.975 176.600 -0.031 0.000 0.955 486 K CA -0.834 55.372 56.287 -0.136 0.000 0.817 486 K CB 2.657 35.112 32.500 -0.075 0.000 1.208 486 K HN 0.763 nan 8.250 nan 0.000 0.432 487 L N -1.922 119.197 121.223 -0.173 0.000 2.600 487 L HA 0.629 5.211 4.340 0.404 0.000 0.257 487 L C -1.109 175.822 176.870 0.101 0.000 1.048 487 L CA -1.078 53.738 54.840 -0.039 0.000 0.869 487 L CB 0.558 42.620 42.059 0.005 0.000 1.482 487 L HN 0.575 nan 8.230 nan 0.000 0.408 488 C N 0.840 120.263 119.300 0.206 0.000 2.417 488 C HA 0.881 5.584 4.460 0.404 0.000 0.324 488 C C 0.058 175.217 174.990 0.282 0.000 1.240 488 C CA -0.545 58.661 59.018 0.314 0.000 1.632 488 C CB 1.336 29.190 27.740 0.190 0.000 2.241 488 C HN 0.815 nan 8.230 nan 0.000 0.499 489 V N 2.399 122.483 119.914 0.285 0.000 2.448 489 V HA 0.751 5.113 4.120 0.404 0.000 0.295 489 V C -0.885 175.394 176.094 0.308 0.000 1.025 489 V CA -0.386 62.048 62.300 0.223 0.000 0.859 489 V CB 1.278 33.089 31.823 -0.021 0.000 0.988 489 V HN 0.626 nan 8.190 nan 0.000 0.431 490 I N 7.627 128.416 120.570 0.365 0.000 2.362 490 I HA 0.635 5.048 4.170 0.404 0.000 0.289 490 I C -2.158 174.109 176.117 0.250 0.000 0.994 490 I CA -2.233 59.228 61.300 0.268 0.000 1.158 490 I CB 1.822 39.919 38.000 0.162 0.000 1.315 490 I HN 0.558 nan 8.210 nan 0.000 0.451 491 P HA 0.198 nan 4.420 nan 0.000 0.271 491 P C -0.465 176.745 177.300 -0.149 0.000 1.238 491 P CA -0.087 62.919 63.100 -0.156 0.000 0.794 491 P CB 0.446 32.093 31.700 -0.089 0.000 0.959 492 R N -0.145 120.210 120.500 -0.241 0.000 2.734 492 R HA 0.368 4.950 4.340 0.404 0.000 0.395 492 R C -0.510 175.691 176.300 -0.166 0.000 1.096 492 R CA -0.039 55.954 56.100 -0.178 0.000 1.071 492 R CB 0.273 30.452 30.300 -0.202 0.000 1.348 492 R HN 0.428 nan 8.270 nan 0.000 0.600 493 S N 0.000 115.618 115.700 -0.136 0.000 2.498 493 S HA 0.000 4.712 4.470 0.404 0.000 0.327 493 S CA 0.000 58.140 58.200 -0.101 0.000 1.107 493 S CB 0.000 63.136 63.200 -0.108 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517