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 2iy5_1_A DATA FIRST_RESID 15 DATA SEQUENCE LEELKALKAR YLGKKGLLTQ EMKGLSALPL EERRKRGQEL NAIKAALEAA DATA SEQUENCE LEAREKALEE AALKEALERE RVDVSLPGAS LFSGGLHPIT LMERELVEIF DATA SEQUENCE RALGYQAVEG PEVESEFFNF DALNIPEHHP ARDMWDTFWL TGEGFRLEGP DATA SEQUENCE LGEEVEGRLL LRTHTSPMQV RYMVAHTPPF RIVVPGRVFR FEQTDATHEA DATA SEQUENCE VFHQLEGLVV GEGIAMAHLK GAIYELAQAL FGPDSKVRFQ PVYFPFVEPG DATA SEQUENCE AQFAVWWPEG GKWLELGGAG MVHPKVFQAV DAYRERLGLP PAYRGVTGFA DATA SEQUENCE FGLGVERLAM LRYGIPDIRY FFGGRLKFLE QFKGVL 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.853 176.870 -0.028 0.000 1.165 15 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 15 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 16 E N 0.271 120.457 120.200 -0.024 0.000 2.331 16 E HA -0.232 4.118 4.350 0.001 0.000 0.199 16 E C 1.068 177.654 176.600 -0.024 0.000 1.008 16 E CA 1.423 57.808 56.400 -0.026 0.000 0.843 16 E CB -0.311 29.379 29.700 -0.017 0.000 0.761 16 E HN 0.653 nan 8.360 nan 0.000 0.507 17 E N 0.390 120.579 120.200 -0.018 0.000 2.169 17 E HA -0.234 4.116 4.350 0.001 0.000 0.202 17 E C 1.935 178.527 176.600 -0.014 0.000 1.016 17 E CA 1.466 57.860 56.400 -0.009 0.000 0.817 17 E CB -0.146 29.551 29.700 -0.005 0.000 0.736 17 E HN 0.315 nan 8.360 nan 0.000 0.462 18 L N 1.090 122.288 121.223 -0.041 0.000 2.168 18 L HA -0.025 4.316 4.340 0.001 0.000 0.203 18 L C 1.629 178.429 176.870 -0.117 0.000 1.078 18 L CA 1.535 56.324 54.840 -0.085 0.000 0.780 18 L CB 0.011 41.996 42.059 -0.123 0.000 0.939 18 L HN -0.183 nan 8.230 nan 0.000 0.451 19 K N -0.170 120.177 120.400 -0.089 0.000 2.520 19 K HA -0.099 4.222 4.320 0.001 0.000 0.197 19 K C 1.725 178.300 176.600 -0.042 0.000 1.043 19 K CA 0.877 57.118 56.287 -0.077 0.000 0.944 19 K CB -0.182 32.287 32.500 -0.052 0.000 0.770 19 K HN 0.516 nan 8.250 nan 0.000 0.480 20 A N 0.921 123.728 122.820 -0.023 0.000 1.909 20 A HA 0.059 4.380 4.320 0.001 0.000 0.209 20 A C 1.949 179.559 177.584 0.044 0.000 1.247 20 A CA 0.120 52.162 52.037 0.009 0.000 0.660 20 A CB -0.344 18.663 19.000 0.012 0.000 0.910 20 A HN 0.105 nan 8.150 nan 0.000 0.465 21 L N 0.230 121.491 121.223 0.063 0.000 2.137 21 L HA -0.244 4.097 4.340 0.001 0.000 0.213 21 L C 2.074 179.137 176.870 0.322 0.000 1.085 21 L CA 1.561 56.507 54.840 0.177 0.000 0.760 21 L CB -0.702 41.500 42.059 0.239 0.000 0.893 21 L HN 0.367 nan 8.230 nan 0.000 0.434 22 K N 0.467 120.943 120.400 0.127 0.000 2.442 22 K HA -0.159 4.162 4.320 0.001 0.000 0.200 22 K C 2.155 178.875 176.600 0.201 0.000 1.045 22 K CA 0.969 57.339 56.287 0.138 0.000 0.937 22 K CB -0.282 32.173 32.500 -0.075 0.000 0.757 22 K HN 0.368 nan 8.250 nan 0.000 0.474 23 A N 1.487 124.393 122.820 0.143 0.000 1.940 23 A HA -0.153 4.168 4.320 0.001 0.000 0.219 23 A C 2.085 179.724 177.584 0.092 0.000 1.176 23 A CA 1.258 53.349 52.037 0.091 0.000 0.631 23 A CB -0.134 18.904 19.000 0.063 0.000 0.814 23 A HN 0.083 nan 8.150 nan 0.000 0.446 24 R N -2.224 118.344 120.500 0.113 0.000 2.223 24 R HA 0.119 4.460 4.340 0.001 0.000 0.198 24 R C 1.577 177.885 176.300 0.014 0.000 0.984 24 R CA 0.488 56.606 56.100 0.031 0.000 1.018 24 R CB -0.552 29.730 30.300 -0.029 0.000 0.945 24 R HN 0.673 nan 8.270 nan 0.000 0.479 25 Y N 0.386 120.686 120.300 0.000 0.000 2.181 25 Y HA -0.150 4.401 4.550 0.001 0.000 0.288 25 Y C 2.256 178.156 175.900 0.000 0.000 1.146 25 Y CA 1.398 59.498 58.100 0.000 0.000 1.164 25 Y CB -0.136 38.324 38.460 0.000 0.000 0.982 25 Y HN -0.006 nan 8.280 nan 0.000 0.515 26 L N -1.209 120.112 121.223 0.164 0.000 2.249 26 L HA 0.173 4.514 4.340 0.001 0.000 0.207 26 L C 2.112 179.013 176.870 0.051 0.000 1.090 26 L CA 0.893 55.785 54.840 0.088 0.000 0.802 26 L CB -0.674 41.426 42.059 0.069 0.000 0.947 26 L HN 0.218 nan 8.230 nan 0.000 0.453 27 G N 0.020 108.848 108.800 0.046 0.000 2.707 27 G HA2 -0.289 3.672 3.960 0.001 0.000 0.192 27 G HA3 -0.289 3.672 3.960 0.001 0.000 0.192 27 G C 1.278 176.183 174.900 0.008 0.000 1.471 27 G CA 0.795 45.908 45.100 0.022 0.000 0.865 27 G HN 0.306 nan 8.290 nan 0.000 0.529 28 K N 0.375 120.770 120.400 -0.008 0.000 2.117 28 K HA -0.323 3.998 4.320 0.001 0.000 0.215 28 K C 2.416 179.007 176.600 -0.014 0.000 1.053 28 K CA 2.406 58.681 56.287 -0.020 0.000 0.935 28 K CB -0.314 32.160 32.500 -0.042 0.000 0.719 28 K HN 0.373 nan 8.250 nan 0.000 0.460 29 K N -0.614 119.780 120.400 -0.011 0.000 2.001 29 K HA -0.159 4.162 4.320 0.001 0.000 0.214 29 K C 2.149 178.753 176.600 0.007 0.000 1.050 29 K CA 2.021 58.307 56.287 -0.001 0.000 0.934 29 K CB -0.578 31.933 32.500 0.018 0.000 0.718 29 K HN 0.382 nan 8.250 nan 0.000 0.443 30 G N 1.125 109.933 108.800 0.014 0.000 2.448 30 G HA2 -0.183 3.778 3.960 0.001 0.000 0.219 30 G HA3 -0.183 3.778 3.960 0.001 0.000 0.219 30 G C 1.488 176.392 174.900 0.007 0.000 1.127 30 G CA 0.623 45.730 45.100 0.012 0.000 0.766 30 G HN 0.248 nan 8.290 nan 0.000 0.552 31 L N -0.025 121.200 121.223 0.004 0.000 2.191 31 L HA 0.059 4.400 4.340 0.001 0.000 0.212 31 L C 2.028 178.897 176.870 -0.001 0.000 1.103 31 L CA 0.320 55.160 54.840 0.001 0.000 0.769 31 L CB -0.386 41.671 42.059 -0.002 0.000 0.908 31 L HN 0.168 nan 8.230 nan 0.000 0.438 32 L N -0.135 121.087 121.223 -0.002 0.000 2.798 32 L HA -0.046 4.295 4.340 0.001 0.000 0.254 32 L C 1.282 178.152 176.870 -0.001 0.000 1.176 32 L CA 0.265 55.103 54.840 -0.003 0.000 0.991 32 L CB -0.651 41.405 42.059 -0.004 0.000 1.225 32 L HN 0.216 nan 8.230 nan 0.000 0.420 33 T N -2.920 111.634 114.554 0.001 0.000 3.057 33 T HA 0.074 4.425 4.350 0.001 0.000 0.254 33 T C 1.515 176.216 174.700 0.001 0.000 0.965 33 T CA 0.086 62.187 62.100 0.002 0.000 0.978 33 T CB 0.722 69.592 68.868 0.004 0.000 1.169 33 T HN 0.253 nan 8.240 nan 0.000 0.489 34 Q N 0.774 120.575 119.800 0.001 0.000 2.642 34 Q HA 0.126 4.467 4.340 0.001 0.000 0.202 34 Q C 0.722 176.722 176.000 -0.000 0.000 0.845 34 Q CA 0.274 56.077 55.803 0.001 0.000 0.873 34 Q CB 0.362 29.101 28.738 0.002 0.000 1.190 34 Q HN 0.283 nan 8.270 nan 0.000 0.642 35 E N 0.573 120.773 120.200 -0.001 0.000 2.335 35 E HA 0.037 4.388 4.350 0.001 0.000 0.191 35 E C 0.516 177.114 176.600 -0.003 0.000 1.150 35 E CA 0.535 56.934 56.400 -0.002 0.000 1.001 35 E CB 0.178 29.877 29.700 -0.002 0.000 1.127 35 E HN 0.244 nan 8.360 nan 0.000 0.462 36 M N -0.604 118.994 119.600 -0.003 0.000 2.215 36 M HA 0.153 4.634 4.480 0.001 0.000 0.391 36 M C -0.162 176.136 176.300 -0.003 0.000 0.914 36 M CA 0.218 55.516 55.300 -0.004 0.000 1.035 36 M CB 0.657 33.255 32.600 -0.005 0.000 1.944 36 M HN -0.071 nan 8.290 nan 0.000 0.656 37 K N 1.685 122.083 120.400 -0.002 0.000 2.800 37 K HA 0.488 4.809 4.320 0.001 0.000 0.185 37 K C 0.230 176.829 176.600 -0.001 0.000 1.082 37 K CA -0.250 56.036 56.287 -0.001 0.000 0.978 37 K CB 0.709 33.209 32.500 -0.001 0.000 1.364 37 K HN 0.362 nan 8.250 nan 0.000 0.592 38 G N 1.914 110.713 108.800 -0.002 0.000 2.587 38 G HA2 -0.228 3.732 3.960 0.001 0.000 0.274 38 G HA3 -0.228 3.732 3.960 0.001 0.000 0.274 38 G C 0.296 175.195 174.900 -0.001 0.000 1.046 38 G CA -0.505 44.594 45.100 -0.001 0.000 1.308 38 G HN 0.548 nan 8.290 nan 0.000 0.529 39 L N 0.152 121.374 121.223 -0.001 0.000 2.492 39 L HA 0.058 4.399 4.340 0.001 0.000 0.223 39 L C 2.267 179.136 176.870 -0.001 0.000 1.132 39 L CA 1.119 55.958 54.840 -0.001 0.000 0.850 39 L CB 0.098 42.156 42.059 -0.001 0.000 0.966 39 L HN 0.455 nan 8.230 nan 0.000 0.454 40 S N -0.372 115.328 115.700 -0.001 0.000 2.631 40 S HA 0.240 4.711 4.470 0.001 0.000 0.217 40 S C 1.349 175.949 174.600 -0.001 0.000 0.958 40 S CA 0.625 58.824 58.200 -0.001 0.000 0.920 40 S CB 0.444 63.643 63.200 -0.001 0.000 0.776 40 S HN 0.461 nan 8.310 nan 0.000 0.517 41 A N -0.132 122.688 122.820 -0.001 0.000 2.591 41 A HA 0.370 4.691 4.320 0.001 0.000 0.204 41 A C 1.323 178.907 177.584 -0.000 0.000 1.410 41 A CA -0.182 51.855 52.037 -0.000 0.000 1.065 41 A CB -0.256 18.743 19.000 -0.000 0.000 1.362 41 A HN 0.316 nan 8.150 nan 0.000 0.566 42 L N 1.062 122.285 121.223 -0.000 0.000 2.043 42 L HA -0.038 4.303 4.340 0.001 0.000 0.212 42 L C -1.047 175.823 176.870 0.000 0.000 1.075 42 L CA 2.576 57.416 54.840 0.000 0.000 0.752 42 L CB -0.904 41.155 42.059 0.000 0.000 0.891 42 L HN 0.164 nan 8.230 nan 0.000 0.432 43 P HA -0.121 nan 4.420 nan 0.000 0.225 43 P C 1.577 178.877 177.300 0.000 0.000 1.148 43 P CA 1.147 64.247 63.100 0.000 0.000 0.779 43 P CB 0.006 31.707 31.700 0.000 0.000 0.780 44 L N -0.701 120.523 121.223 0.000 0.000 2.591 44 L HA 0.060 4.401 4.340 0.001 0.000 0.228 44 L C 0.355 177.225 176.870 0.000 0.000 1.133 44 L CA 0.453 55.293 54.840 0.000 0.000 0.880 44 L CB -0.246 41.813 42.059 0.000 0.000 1.033 44 L HN 0.018 nan 8.230 nan 0.000 0.450 45 E N 0.328 120.528 120.200 0.000 0.000 2.373 45 E HA 0.266 4.617 4.350 0.001 0.000 0.251 45 E C -0.505 176.096 176.600 0.001 0.000 0.923 45 E CA -0.087 56.313 56.400 0.001 0.000 0.798 45 E CB 1.420 31.121 29.700 0.001 0.000 1.303 45 E HN 0.152 nan 8.360 nan 0.000 0.412 46 E N 1.250 121.451 120.200 0.001 0.000 2.505 46 E HA 0.150 4.501 4.350 0.001 0.000 0.212 46 E C 1.347 177.948 176.600 0.001 0.000 0.825 46 E CA -0.139 56.261 56.400 0.001 0.000 1.333 46 E CB 0.051 29.751 29.700 0.001 0.000 1.319 46 E HN 0.148 nan 8.360 nan 0.000 0.658 47 R N 1.435 121.936 120.500 0.001 0.000 2.264 47 R HA -0.140 4.200 4.340 0.001 0.000 0.223 47 R C 2.052 178.353 176.300 0.001 0.000 1.090 47 R CA 2.544 58.645 56.100 0.001 0.000 0.857 47 R CB -0.408 29.892 30.300 0.001 0.000 0.835 47 R HN 0.118 nan 8.270 nan 0.000 0.428 48 R N -0.246 120.255 120.500 0.001 0.000 2.064 48 R HA 0.140 4.481 4.340 0.001 0.000 0.210 48 R C 2.257 178.558 176.300 0.002 0.000 1.221 48 R CA 0.035 56.136 56.100 0.002 0.000 1.055 48 R CB -0.171 30.130 30.300 0.001 0.000 0.946 48 R HN 0.006 nan 8.270 nan 0.000 0.459 49 K N 1.413 121.814 120.400 0.002 0.000 2.034 49 K HA -0.156 4.165 4.320 0.001 0.000 0.214 49 K C 1.980 178.581 176.600 0.002 0.000 1.051 49 K CA 1.485 57.773 56.287 0.002 0.000 0.931 49 K CB -0.440 32.061 32.500 0.002 0.000 0.715 49 K HN 0.128 nan 8.250 nan 0.000 0.446 50 R N 0.017 120.518 120.500 0.002 0.000 2.083 50 R HA -0.093 4.248 4.340 0.001 0.000 0.237 50 R C 2.511 178.813 176.300 0.002 0.000 1.137 50 R CA 1.619 57.720 56.100 0.002 0.000 0.951 50 R CB -1.469 28.832 30.300 0.002 0.000 0.851 50 R HN 0.500 nan 8.270 nan 0.000 0.434 51 G N 1.187 109.988 108.800 0.002 0.000 2.470 51 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 51 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 51 G C 1.359 176.261 174.900 0.003 0.000 1.121 51 G CA 0.268 45.369 45.100 0.002 0.000 0.766 51 G HN 0.404 nan 8.290 nan 0.000 0.553 52 Q N -0.264 119.538 119.800 0.003 0.000 2.096 52 Q HA -0.100 4.241 4.340 0.001 0.000 0.204 52 Q C 2.417 178.420 176.000 0.004 0.000 0.982 52 Q CA 1.223 57.028 55.803 0.003 0.000 0.850 52 Q CB -0.062 28.678 28.738 0.003 0.000 0.901 52 Q HN 0.375 nan 8.270 nan 0.000 0.422 53 E N 0.706 120.908 120.200 0.004 0.000 2.060 53 E HA -0.056 4.295 4.350 0.001 0.000 0.189 53 E C 2.036 178.639 176.600 0.005 0.000 0.974 53 E CA 0.206 56.609 56.400 0.005 0.000 0.808 53 E CB -0.249 29.454 29.700 0.005 0.000 0.768 53 E HN 0.303 nan 8.360 nan 0.000 0.453 54 L N 1.525 122.751 121.223 0.004 0.000 2.151 54 L HA -0.281 4.060 4.340 0.001 0.000 0.215 54 L C 1.912 178.784 176.870 0.004 0.000 1.084 54 L CA 1.283 56.125 54.840 0.004 0.000 0.764 54 L CB -0.097 41.963 42.059 0.003 0.000 0.891 54 L HN 0.124 nan 8.230 nan 0.000 0.435 55 N N -0.218 118.485 118.700 0.004 0.000 2.124 55 N HA -0.075 4.665 4.740 0.001 0.000 0.189 55 N C 1.798 177.310 175.510 0.004 0.000 1.050 55 N CA 1.436 54.488 53.050 0.004 0.000 0.848 55 N CB -0.373 38.116 38.487 0.003 0.000 1.027 55 N HN 0.383 nan 8.380 nan 0.000 0.435 56 A N 2.183 125.006 122.820 0.005 0.000 1.948 56 A HA -0.135 4.185 4.320 0.001 0.000 0.220 56 A C 2.153 179.742 177.584 0.007 0.000 1.177 56 A CA 0.968 53.009 52.037 0.006 0.000 0.636 56 A CB -0.716 18.288 19.000 0.007 0.000 0.815 56 A HN 0.334 nan 8.150 nan 0.000 0.449 57 I N -0.867 119.707 120.570 0.007 0.000 2.335 57 I HA -0.198 3.973 4.170 0.001 0.000 0.251 57 I C 2.080 178.201 176.117 0.007 0.000 1.129 57 I CA 2.344 63.649 61.300 0.008 0.000 1.402 57 I CB -0.455 37.549 38.000 0.007 0.000 1.069 57 I HN 0.405 nan 8.210 nan 0.000 0.424 58 K N 0.979 121.383 120.400 0.006 0.000 2.141 58 K HA 0.159 4.480 4.320 0.001 0.000 0.202 58 K C 2.065 178.668 176.600 0.005 0.000 1.045 58 K CA 1.209 57.499 56.287 0.005 0.000 0.971 58 K CB -0.287 32.215 32.500 0.004 0.000 0.795 58 K HN 0.136 nan 8.250 nan 0.000 0.459 59 A N 0.508 123.331 122.820 0.005 0.000 2.084 59 A HA -0.087 4.234 4.320 0.001 0.000 0.221 59 A C 2.149 179.735 177.584 0.004 0.000 1.161 59 A CA 2.089 54.129 52.037 0.004 0.000 0.653 59 A CB -0.726 18.276 19.000 0.004 0.000 0.802 59 A HN 0.457 nan 8.150 nan 0.000 0.457 60 A N -0.235 122.589 122.820 0.006 0.000 1.909 60 A HA 0.308 4.629 4.320 0.001 0.000 0.209 60 A C 1.987 179.575 177.584 0.007 0.000 1.247 60 A CA 0.864 52.905 52.037 0.007 0.000 0.660 60 A CB -0.737 18.269 19.000 0.010 0.000 0.910 60 A HN 0.915 nan 8.150 nan 0.000 0.465 61 L N 0.967 122.195 121.223 0.008 0.000 2.021 61 L HA -0.244 4.097 4.340 0.001 0.000 0.215 61 L C 2.090 178.964 176.870 0.006 0.000 1.074 61 L CA 2.999 57.845 54.840 0.009 0.000 0.760 61 L CB -1.632 40.432 42.059 0.009 0.000 0.889 61 L HN 0.637 nan 8.230 nan 0.000 0.433 62 E N 0.852 121.055 120.200 0.005 0.000 2.015 62 E HA -0.157 4.194 4.350 0.001 0.000 0.191 62 E C 2.143 178.745 176.600 0.002 0.000 0.991 62 E CA 1.104 57.505 56.400 0.003 0.000 0.802 62 E CB -0.697 29.005 29.700 0.003 0.000 0.759 62 E HN 0.532 nan 8.360 nan 0.000 0.447 63 A N 2.397 125.218 122.820 0.002 0.000 1.849 63 A HA -0.139 4.182 4.320 0.001 0.000 0.217 63 A C 2.540 180.124 177.584 -0.001 0.000 1.202 63 A CA 2.502 54.539 52.037 0.000 0.000 0.629 63 A CB -1.290 17.710 19.000 0.000 0.000 0.834 63 A HN 0.454 nan 8.150 nan 0.000 0.447 64 A N -0.506 122.314 122.820 0.000 0.000 1.848 64 A HA -0.083 4.238 4.320 0.001 0.000 0.211 64 A C 2.081 179.664 177.584 -0.002 0.000 1.225 64 A CA 1.599 53.635 52.037 -0.002 0.000 0.637 64 A CB -1.186 17.814 19.000 0.000 0.000 0.867 64 A HN 0.676 nan 8.150 nan 0.000 0.463 65 L N 0.210 121.434 121.223 0.001 0.000 2.113 65 L HA -0.295 4.046 4.340 0.001 0.000 0.221 65 L C 2.380 179.250 176.870 0.000 0.000 1.084 65 L CA 2.990 57.831 54.840 0.002 0.000 0.787 65 L CB -1.000 41.063 42.059 0.006 0.000 0.893 65 L HN 0.831 nan 8.230 nan 0.000 0.440 66 E N -1.210 118.990 120.200 0.000 0.000 2.076 66 E HA -0.122 4.229 4.350 0.001 0.000 0.190 66 E C 2.127 178.726 176.600 -0.002 0.000 0.979 66 E CA 0.867 57.267 56.400 -0.000 0.000 0.807 66 E CB 0.083 29.783 29.700 0.000 0.000 0.761 66 E HN 0.531 nan 8.360 nan 0.000 0.454 67 A N 1.533 124.351 122.820 -0.003 0.000 1.859 67 A HA -0.244 4.077 4.320 0.001 0.000 0.217 67 A C 2.210 179.790 177.584 -0.006 0.000 1.198 67 A CA 1.946 53.981 52.037 -0.004 0.000 0.629 67 A CB -0.630 18.367 19.000 -0.005 0.000 0.830 67 A HN 0.150 nan 8.150 nan 0.000 0.446 68 R N 0.100 120.596 120.500 -0.008 0.000 2.103 68 R HA -0.135 4.206 4.340 0.001 0.000 0.242 68 R C 2.096 178.391 176.300 -0.008 0.000 1.142 68 R CA 1.847 57.941 56.100 -0.010 0.000 0.960 68 R CB -0.517 29.775 30.300 -0.013 0.000 0.858 68 R HN 0.791 nan 8.270 nan 0.000 0.439 69 E N 0.377 120.574 120.200 -0.005 0.000 1.992 69 E HA -0.219 4.132 4.350 0.001 0.000 0.202 69 E C 1.804 178.401 176.600 -0.004 0.000 1.007 69 E CA 1.529 57.927 56.400 -0.004 0.000 0.857 69 E CB -0.171 29.528 29.700 -0.002 0.000 0.796 69 E HN 0.215 nan 8.360 nan 0.000 0.486 70 K N 0.340 120.738 120.400 -0.003 0.000 2.259 70 K HA -0.260 4.060 4.320 0.001 0.000 0.206 70 K C 2.037 178.634 176.600 -0.004 0.000 1.044 70 K CA 1.137 57.422 56.287 -0.003 0.000 0.931 70 K CB -0.259 32.239 32.500 -0.002 0.000 0.726 70 K HN 0.170 nan 8.250 nan 0.000 0.467 71 A N 1.203 124.020 122.820 -0.005 0.000 1.877 71 A HA -0.138 4.183 4.320 0.001 0.000 0.216 71 A C 2.020 179.601 177.584 -0.006 0.000 1.186 71 A CA 1.069 53.102 52.037 -0.006 0.000 0.620 71 A CB -0.338 18.658 19.000 -0.008 0.000 0.822 71 A HN 0.205 nan 8.150 nan 0.000 0.443 72 L N -0.058 121.162 121.223 -0.006 0.000 2.270 72 L HA 0.028 4.369 4.340 0.001 0.000 0.210 72 L C 1.909 178.777 176.870 -0.004 0.000 1.104 72 L CA 1.540 56.377 54.840 -0.006 0.000 0.804 72 L CB -1.101 40.954 42.059 -0.006 0.000 0.937 72 L HN 0.512 nan 8.230 nan 0.000 0.450 73 E N -0.270 119.928 120.200 -0.004 0.000 2.331 73 E HA -0.254 4.097 4.350 0.001 0.000 0.199 73 E C 0.930 177.528 176.600 -0.003 0.000 1.008 73 E CA 0.891 57.289 56.400 -0.003 0.000 0.843 73 E CB 0.250 29.949 29.700 -0.002 0.000 0.761 73 E HN 0.285 nan 8.360 nan 0.000 0.507 74 E N -1.374 118.824 120.200 -0.003 0.000 2.583 74 E HA 0.198 4.549 4.350 0.001 0.000 0.213 74 E C 0.712 177.310 176.600 -0.004 0.000 0.989 74 E CA 0.231 56.629 56.400 -0.003 0.000 0.991 74 E CB 0.655 30.353 29.700 -0.003 0.000 1.040 74 E HN 0.194 nan 8.360 nan 0.000 0.481 75 A N -0.077 122.741 122.820 -0.004 0.000 1.944 75 A HA 0.482 4.803 4.320 0.001 0.000 0.207 75 A C 2.136 179.717 177.584 -0.004 0.000 1.265 75 A CA 0.847 52.881 52.037 -0.004 0.000 0.712 75 A CB -0.429 18.567 19.000 -0.005 0.000 0.915 75 A HN 0.237 nan 8.150 nan 0.000 0.470 76 A N -0.057 122.761 122.820 -0.004 0.000 1.840 76 A HA 0.111 4.432 4.320 0.001 0.000 0.214 76 A C 1.790 179.373 177.584 -0.003 0.000 1.198 76 A CA 1.457 53.492 52.037 -0.003 0.000 0.608 76 A CB -0.764 18.234 19.000 -0.003 0.000 0.839 76 A HN 0.368 nan 8.150 nan 0.000 0.443 77 L N 0.073 121.295 121.223 -0.003 0.000 2.447 77 L HA -0.138 4.202 4.340 0.001 0.000 0.225 77 L C 2.248 179.116 176.870 -0.002 0.000 1.148 77 L CA 1.431 56.270 54.840 -0.002 0.000 0.808 77 L CB -0.415 41.643 42.059 -0.002 0.000 0.928 77 L HN 0.260 nan 8.230 nan 0.000 0.448 78 K N -0.601 119.797 120.400 -0.003 0.000 2.128 78 K HA -0.080 4.241 4.320 0.001 0.000 0.202 78 K C 2.025 178.624 176.600 -0.003 0.000 1.050 78 K CA 0.568 56.853 56.287 -0.003 0.000 0.966 78 K CB 0.240 32.738 32.500 -0.003 0.000 0.759 78 K HN 0.184 nan 8.250 nan 0.000 0.454 79 E N 1.517 121.715 120.200 -0.003 0.000 2.058 79 E HA -0.157 4.194 4.350 0.001 0.000 0.194 79 E C 1.691 178.289 176.600 -0.003 0.000 0.997 79 E CA 1.774 58.172 56.400 -0.003 0.000 0.801 79 E CB -0.219 29.479 29.700 -0.003 0.000 0.746 79 E HN 0.210 nan 8.360 nan 0.000 0.450 80 A N 0.906 123.725 122.820 -0.002 0.000 1.834 80 A HA -0.193 4.128 4.320 0.001 0.000 0.216 80 A C 2.409 179.991 177.584 -0.002 0.000 1.203 80 A CA 1.908 53.943 52.037 -0.002 0.000 0.621 80 A CB -1.243 17.756 19.000 -0.002 0.000 0.841 80 A HN 0.366 nan 8.150 nan 0.000 0.446 81 L N -0.745 120.476 121.223 -0.002 0.000 2.085 81 L HA -0.355 3.986 4.340 0.001 0.000 0.218 81 L C 2.632 179.500 176.870 -0.003 0.000 1.080 81 L CA 2.282 57.121 54.840 -0.002 0.000 0.776 81 L CB -0.699 41.359 42.059 -0.002 0.000 0.891 81 L HN 0.566 nan 8.230 nan 0.000 0.437 82 E N -1.378 118.820 120.200 -0.003 0.000 2.030 82 E HA -0.116 4.235 4.350 0.001 0.000 0.189 82 E C 2.275 178.873 176.600 -0.003 0.000 0.974 82 E CA -0.002 56.396 56.400 -0.003 0.000 0.807 82 E CB -0.077 29.622 29.700 -0.003 0.000 0.771 82 E HN 0.212 nan 8.360 nan 0.000 0.451 83 R N 1.919 122.417 120.500 -0.003 0.000 2.147 83 R HA -0.106 4.235 4.340 0.001 0.000 0.225 83 R C 0.324 176.623 176.300 -0.003 0.000 1.120 83 R CA 1.235 57.333 56.100 -0.003 0.000 0.891 83 R CB -0.836 29.463 30.300 -0.003 0.000 0.822 83 R HN 0.200 nan 8.270 nan 0.000 0.433 84 E N 2.930 123.128 120.200 -0.003 0.000 2.672 84 E HA -0.120 4.231 4.350 0.001 0.000 0.234 84 E C -0.260 176.338 176.600 -0.003 0.000 1.162 84 E CA 0.609 57.007 56.400 -0.003 0.000 0.952 84 E CB -0.155 29.543 29.700 -0.003 0.000 0.987 84 E HN 0.103 nan 8.360 nan 0.000 0.507 85 R N 2.097 122.595 120.500 -0.003 0.000 2.507 85 R HA 0.349 4.690 4.340 0.001 0.000 0.298 85 R C -0.729 175.569 176.300 -0.004 0.000 1.087 85 R CA -0.624 55.474 56.100 -0.004 0.000 0.917 85 R CB 1.513 31.811 30.300 -0.004 0.000 1.173 85 R HN 0.151 nan 8.270 nan 0.000 0.472 86 V N 0.702 120.613 119.914 -0.005 0.000 2.815 86 V HA 0.247 4.368 4.120 0.001 0.000 0.314 86 V C 0.565 176.656 176.094 -0.006 0.000 1.064 86 V CA -0.912 61.385 62.300 -0.005 0.000 0.952 86 V CB 2.344 34.164 31.823 -0.005 0.000 1.020 86 V HN 0.485 nan 8.190 nan 0.000 0.439 87 D N 1.909 122.306 120.400 -0.006 0.000 3.008 87 D HA 0.100 4.740 4.640 0.001 0.000 0.242 87 D C 1.464 177.760 176.300 -0.007 0.000 1.222 87 D CA 0.448 54.444 54.000 -0.007 0.000 0.883 87 D CB -0.217 40.579 40.800 -0.007 0.000 1.110 87 D HN 0.548 nan 8.370 nan 0.000 0.455 88 V N -0.416 119.493 119.914 -0.007 0.000 2.407 88 V HA -0.443 3.678 4.120 0.001 0.000 0.239 88 V C 1.842 177.931 176.094 -0.009 0.000 1.082 88 V CA 2.495 64.790 62.300 -0.008 0.000 1.094 88 V CB -2.256 29.563 31.823 -0.007 0.000 0.923 88 V HN 0.542 nan 8.190 nan 0.000 0.471 89 S N 0.606 116.301 115.700 -0.009 0.000 3.054 89 S HA 0.302 4.773 4.470 0.001 0.000 0.243 89 S C 0.065 174.658 174.600 -0.011 0.000 1.013 89 S CA 0.311 58.505 58.200 -0.010 0.000 1.119 89 S CB -0.855 62.339 63.200 -0.009 0.000 0.838 89 S HN 0.717 nan 8.310 nan 0.000 0.505 90 L N 2.126 123.342 121.223 -0.011 0.000 2.295 90 L HA 0.598 4.939 4.340 0.001 0.000 0.285 90 L C -2.387 174.474 176.870 -0.015 0.000 1.035 90 L CA -2.097 52.736 54.840 -0.013 0.000 0.806 90 L CB 0.498 42.550 42.059 -0.011 0.000 1.214 90 L HN 0.024 nan 8.230 nan 0.000 0.426 91 P HA 0.187 nan 4.420 nan 0.000 0.264 91 P C -0.240 177.046 177.300 -0.024 0.000 1.173 91 P CA 0.158 63.245 63.100 -0.023 0.000 0.761 91 P CB 0.358 32.042 31.700 -0.026 0.000 0.794 92 G N 0.895 109.679 108.800 -0.026 0.000 2.820 92 G HA2 0.590 4.551 3.960 0.001 0.000 0.291 92 G HA3 0.590 4.551 3.960 0.001 0.000 0.291 92 G C -0.708 174.171 174.900 -0.034 0.000 1.323 92 G CA -0.434 44.651 45.100 -0.026 0.000 1.055 92 G HN 0.680 nan 8.290 nan 0.000 0.520 93 A N -0.309 122.492 122.820 -0.031 0.000 2.632 93 A HA 0.364 4.685 4.320 0.001 0.000 0.229 93 A C 1.138 178.686 177.584 -0.061 0.000 1.047 93 A CA 0.928 52.942 52.037 -0.039 0.000 0.754 93 A CB -0.180 18.805 19.000 -0.026 0.000 0.969 93 A HN 1.723 nan 8.150 nan 0.000 0.509 94 S N 3.288 118.933 115.700 -0.092 0.000 3.334 94 S HA 0.455 4.926 4.470 0.001 0.000 0.188 94 S C 0.023 174.496 174.600 -0.211 0.000 1.404 94 S CA -0.832 57.275 58.200 -0.154 0.000 1.040 94 S CB -0.343 62.741 63.200 -0.193 0.000 1.352 94 S HN 0.492 nan 8.310 nan 0.000 0.501 95 L N 1.886 123.038 121.223 -0.117 0.000 2.473 95 L HA 0.410 4.751 4.340 0.001 0.000 0.268 95 L C 0.578 177.382 176.870 -0.110 0.000 1.215 95 L CA 0.058 54.865 54.840 -0.055 0.000 0.823 95 L CB -0.381 41.688 42.059 0.016 0.000 1.099 95 L HN 0.468 nan 8.230 nan 0.000 0.483 96 F N 0.056 120.007 119.950 0.002 0.000 2.380 96 F HA 0.188 4.716 4.527 0.001 0.000 0.325 96 F C 0.741 176.542 175.800 0.001 0.000 1.136 96 F CA -0.068 57.933 58.000 0.002 0.000 1.171 96 F CB 1.124 40.127 39.000 0.004 0.000 1.230 96 F HN 0.461 nan 8.300 nan 0.000 0.554 97 S N 0.717 116.542 115.700 0.208 0.000 2.733 97 S HA 0.654 5.125 4.470 0.001 0.000 0.307 97 S C -0.100 174.565 174.600 0.108 0.000 1.127 97 S CA -0.787 57.481 58.200 0.114 0.000 1.097 97 S CB 0.760 63.994 63.200 0.057 0.000 1.003 97 S HN 0.921 nan 8.310 nan 0.000 0.477 98 G N 1.804 110.652 108.800 0.082 0.000 2.527 98 G HA2 0.638 4.598 3.960 0.001 0.000 0.279 98 G HA3 0.638 4.598 3.960 0.001 0.000 0.279 98 G C 0.365 175.287 174.900 0.038 0.000 1.374 98 G CA -0.255 44.876 45.100 0.052 0.000 1.053 98 G HN 1.494 nan 8.290 nan 0.000 0.539 99 G N -2.364 106.450 108.800 0.023 0.000 2.466 99 G HA2 0.482 4.443 3.960 0.001 0.000 0.291 99 G HA3 0.482 4.443 3.960 0.001 0.000 0.291 99 G C -1.683 173.218 174.900 0.002 0.000 1.460 99 G CA -0.884 44.226 45.100 0.017 0.000 0.791 99 G HN 0.629 nan 8.290 nan 0.000 0.505 100 L N 1.081 122.299 121.223 -0.008 0.000 2.362 100 L HA 0.469 4.810 4.340 0.001 0.000 0.271 100 L C 0.321 177.146 176.870 -0.076 0.000 1.002 100 L CA -1.270 53.555 54.840 -0.025 0.000 0.818 100 L CB 2.138 44.184 42.059 -0.022 0.000 1.298 100 L HN 0.705 nan 8.230 nan 0.000 0.420 101 H N 3.521 122.488 119.070 -0.171 0.000 2.948 101 H HA 0.017 4.573 4.556 0.001 0.000 0.351 101 H C -1.977 173.106 175.328 -0.408 0.000 1.079 101 H CA -0.868 55.023 56.048 -0.262 0.000 1.407 101 H CB 1.670 31.293 29.762 -0.231 0.000 1.373 101 H HN 0.320 nan 8.280 nan 0.000 0.605 102 P HA -0.149 nan 4.420 nan 0.000 0.217 102 P C 1.799 178.862 177.300 -0.394 0.000 1.150 102 P CA 0.712 63.315 63.100 -0.829 0.000 0.832 102 P CB 0.330 31.258 31.700 -1.287 0.000 0.787 103 I N -0.561 119.997 120.570 -0.020 0.000 2.264 103 I HA -0.201 3.970 4.170 0.001 0.000 0.248 103 I C 1.794 177.716 176.117 -0.325 0.000 1.111 103 I CA 2.000 63.078 61.300 -0.370 0.000 1.382 103 I CB -1.813 35.763 38.000 -0.708 0.000 1.060 103 I HN 0.070 nan 8.210 nan 0.000 0.418 104 T N 1.068 115.483 114.554 -0.233 0.000 2.809 104 T HA -0.031 4.320 4.350 0.001 0.000 0.260 104 T C 2.074 176.707 174.700 -0.111 0.000 1.039 104 T CA 0.478 62.474 62.100 -0.173 0.000 1.141 104 T CB -0.262 68.531 68.868 -0.124 0.000 0.869 104 T HN 0.033 nan 8.240 nan 0.000 0.437 105 L N 0.560 121.717 121.223 -0.110 0.000 2.021 105 L HA -0.129 4.212 4.340 0.001 0.000 0.215 105 L C 2.521 179.423 176.870 0.053 0.000 1.074 105 L CA 1.925 56.757 54.840 -0.012 0.000 0.760 105 L CB -1.335 40.736 42.059 0.019 0.000 0.889 105 L HN 0.307 nan 8.230 nan 0.000 0.433 106 M N -0.018 119.596 119.600 0.023 0.000 2.066 106 M HA -0.218 4.263 4.480 0.001 0.000 0.259 106 M C 2.259 178.570 176.300 0.019 0.000 1.074 106 M CA 1.892 57.246 55.300 0.091 0.000 1.114 106 M CB -0.623 32.011 32.600 0.056 0.000 1.306 106 M HN 0.267 nan 8.290 nan 0.000 0.411 107 E N -0.439 119.730 120.200 -0.051 0.000 2.113 107 E HA -0.357 3.994 4.350 0.001 0.000 0.210 107 E C 2.254 178.851 176.600 -0.004 0.000 1.040 107 E CA 2.273 58.646 56.400 -0.044 0.000 0.847 107 E CB -0.320 29.312 29.700 -0.114 0.000 0.755 107 E HN 0.502 nan 8.360 nan 0.000 0.459 108 R N 0.449 120.941 120.500 -0.014 0.000 2.094 108 R HA -0.238 4.103 4.340 0.001 0.000 0.239 108 R C 2.461 178.775 176.300 0.023 0.000 1.137 108 R CA 2.163 58.265 56.100 0.004 0.000 0.943 108 R CB -0.297 30.003 30.300 -0.001 0.000 0.850 108 R HN 0.297 nan 8.270 nan 0.000 0.433 109 E N 0.169 120.384 120.200 0.025 0.000 2.110 109 E HA -0.201 4.150 4.350 0.001 0.000 0.193 109 E C 2.085 178.700 176.600 0.026 0.000 0.988 109 E CA 1.147 57.556 56.400 0.015 0.000 0.804 109 E CB -0.036 29.666 29.700 0.004 0.000 0.745 109 E HN 0.407 nan 8.360 nan 0.000 0.458 110 L N 0.203 121.463 121.223 0.062 0.000 2.017 110 L HA -0.178 4.163 4.340 0.001 0.000 0.208 110 L C 2.555 179.551 176.870 0.210 0.000 1.073 110 L CA 0.855 55.779 54.840 0.139 0.000 0.745 110 L CB -0.363 41.803 42.059 0.177 0.000 0.894 110 L HN 0.120 nan 8.230 nan 0.000 0.432 111 V N -0.391 119.610 119.914 0.146 0.000 2.332 111 V HA -0.250 3.871 4.120 0.001 0.000 0.248 111 V C 2.478 178.648 176.094 0.127 0.000 1.055 111 V CA 1.622 64.007 62.300 0.143 0.000 1.038 111 V CB -0.531 31.335 31.823 0.071 0.000 0.651 111 V HN 0.446 nan 8.190 nan 0.000 0.450 112 E N -0.158 120.085 120.200 0.072 0.000 2.150 112 E HA -0.123 4.228 4.350 0.001 0.000 0.193 112 E C 2.187 178.802 176.600 0.025 0.000 0.985 112 E CA 1.157 57.585 56.400 0.046 0.000 0.814 112 E CB -0.146 29.565 29.700 0.018 0.000 0.752 112 E HN 0.589 nan 8.360 nan 0.000 0.466 113 I N -0.035 120.528 120.570 -0.012 0.000 2.202 113 I HA -0.236 3.935 4.170 0.001 0.000 0.242 113 I C 2.089 178.092 176.117 -0.189 0.000 1.091 113 I CA 1.154 62.370 61.300 -0.139 0.000 1.368 113 I CB -0.284 37.566 38.000 -0.249 0.000 1.058 113 I HN -0.018 nan 8.210 nan 0.000 0.410 114 F N 0.561 120.498 119.950 -0.023 0.000 2.325 114 F HA -0.032 4.495 4.527 0.001 0.000 0.299 114 F C 2.634 178.516 175.800 0.137 0.000 1.090 114 F CA 0.797 58.765 58.000 -0.054 0.000 1.392 114 F CB -0.337 38.499 39.000 -0.274 0.000 1.053 114 F HN -0.139 nan 8.300 nan 0.000 0.521 115 R N 0.175 120.826 120.500 0.251 0.000 2.091 115 R HA -0.171 4.170 4.340 0.001 0.000 0.238 115 R C 2.311 178.718 176.300 0.179 0.000 1.136 115 R CA 1.274 57.498 56.100 0.208 0.000 0.959 115 R CB -0.641 29.735 30.300 0.126 0.000 0.856 115 R HN 0.261 nan 8.270 nan 0.000 0.437 116 A N 0.323 123.217 122.820 0.123 0.000 2.172 116 A HA -0.057 4.264 4.320 0.001 0.000 0.216 116 A C 1.733 179.396 177.584 0.130 0.000 1.154 116 A CA 0.916 53.009 52.037 0.092 0.000 0.701 116 A CB -0.140 18.882 19.000 0.037 0.000 0.789 116 A HN 0.227 nan 8.150 nan 0.000 0.465 117 L N -1.802 119.559 121.223 0.229 0.000 2.640 117 L HA 0.285 4.626 4.340 0.001 0.000 0.230 117 L C 1.443 178.490 176.870 0.295 0.000 1.123 117 L CA 0.520 55.542 54.840 0.304 0.000 0.900 117 L CB 0.243 42.584 42.059 0.470 0.000 1.146 117 L HN 0.516 nan 8.230 nan 0.000 0.484 118 G N -1.094 107.857 108.800 0.252 0.000 2.134 118 G HA2 -0.284 3.677 3.960 0.001 0.000 0.209 118 G HA3 -0.284 3.677 3.960 0.001 0.000 0.209 118 G C -0.182 174.778 174.900 0.099 0.000 0.993 118 G CA -0.545 44.632 45.100 0.128 0.000 0.669 118 G HN 0.173 nan 8.290 nan 0.000 0.519 119 Y N 0.807 121.189 120.300 0.137 0.000 2.301 119 Y HA 0.597 5.148 4.550 0.001 0.000 0.325 119 Y C 0.898 176.831 175.900 0.055 0.000 1.203 119 Y CA -0.365 57.801 58.100 0.109 0.000 1.255 119 Y CB 0.874 39.443 38.460 0.182 0.000 1.232 119 Y HN 0.102 nan 8.280 nan 0.000 0.501 120 Q N 1.576 121.456 119.800 0.133 0.000 2.256 120 Q HA 0.621 4.962 4.340 0.001 0.000 0.257 120 Q C -0.894 175.101 176.000 -0.008 0.000 0.936 120 Q CA -0.803 55.022 55.803 0.036 0.000 0.903 120 Q CB 2.059 30.773 28.738 -0.041 0.000 1.263 120 Q HN 0.749 nan 8.270 nan 0.000 0.440 121 A N 2.382 125.200 122.820 -0.003 0.000 2.280 121 A HA 0.528 4.849 4.320 0.001 0.000 0.320 121 A C -0.259 177.292 177.584 -0.055 0.000 1.366 121 A CA -0.553 51.466 52.037 -0.030 0.000 0.938 121 A CB 0.287 19.288 19.000 0.002 0.000 1.157 121 A HN 0.460 nan 8.150 nan 0.000 0.536 122 V N 1.237 121.089 119.914 -0.103 0.000 2.823 122 V HA 0.757 4.878 4.120 0.001 0.000 0.312 122 V C -0.599 175.441 176.094 -0.089 0.000 1.072 122 V CA -0.664 61.587 62.300 -0.081 0.000 0.937 122 V CB 1.873 33.649 31.823 -0.078 0.000 1.013 122 V HN 0.861 nan 8.190 nan 0.000 0.430 123 E N 2.654 122.817 120.200 -0.063 0.000 2.249 123 E HA 0.774 5.125 4.350 0.001 0.000 0.263 123 E C -0.172 176.384 176.600 -0.074 0.000 0.950 123 E CA -0.506 55.852 56.400 -0.070 0.000 0.827 123 E CB 2.241 31.911 29.700 -0.050 0.000 1.220 123 E HN 1.093 nan 8.360 nan 0.000 0.411 124 G N 0.858 109.604 108.800 -0.091 0.000 3.042 124 G HA2 0.556 4.517 3.960 0.001 0.000 0.278 124 G HA3 0.556 4.517 3.960 0.001 0.000 0.278 124 G C -2.524 172.327 174.900 -0.081 0.000 1.371 124 G CA -1.054 43.983 45.100 -0.104 0.000 1.009 124 G HN 0.370 nan 8.290 nan 0.000 0.523 125 P HA 0.325 nan 4.420 nan 0.000 0.276 125 P C -0.207 177.079 177.300 -0.024 0.000 1.244 125 P CA -0.207 62.875 63.100 -0.030 0.000 0.801 125 P CB 2.562 34.255 31.700 -0.011 0.000 1.006 126 E N -0.117 120.100 120.200 0.028 0.000 2.190 126 E HA 0.048 4.399 4.350 0.001 0.000 0.191 126 E C 0.080 176.729 176.600 0.083 0.000 0.978 126 E CA 0.460 56.910 56.400 0.084 0.000 0.839 126 E CB 0.202 30.022 29.700 0.199 0.000 0.787 126 E HN 0.161 nan 8.360 nan 0.000 0.473 127 V N 3.029 122.970 119.914 0.045 0.000 2.320 127 V HA 0.098 4.219 4.120 0.001 0.000 0.265 127 V C 0.263 176.383 176.094 0.044 0.000 1.048 127 V CA -0.092 62.209 62.300 0.001 0.000 0.865 127 V CB 0.738 32.543 31.823 -0.031 0.000 1.043 127 V HN 0.086 nan 8.190 nan 0.000 0.474 128 E N 1.914 122.109 120.200 -0.009 0.000 2.504 128 E HA 0.530 4.881 4.350 0.001 0.000 0.253 128 E C -0.075 176.550 176.600 0.041 0.000 1.151 128 E CA -0.241 56.165 56.400 0.010 0.000 0.972 128 E CB 1.946 31.599 29.700 -0.078 0.000 1.247 128 E HN 0.555 nan 8.360 nan 0.000 0.519 129 S N -0.543 115.216 115.700 0.099 0.000 2.578 129 S HA 0.139 4.610 4.470 0.001 0.000 0.301 129 S C 0.745 175.350 174.600 0.008 0.000 1.091 129 S CA -0.474 57.791 58.200 0.108 0.000 1.032 129 S CB 1.324 64.637 63.200 0.188 0.000 1.064 129 S HN 0.515 nan 8.310 nan 0.000 0.508 130 E N 1.937 122.175 120.200 0.063 0.000 2.331 130 E HA -0.144 4.207 4.350 0.001 0.000 0.199 130 E C 1.148 177.771 176.600 0.039 0.000 1.008 130 E CA 0.923 57.367 56.400 0.072 0.000 0.843 130 E CB -0.075 29.822 29.700 0.330 0.000 0.761 130 E HN 0.808 nan 8.360 nan 0.000 0.507 131 F N -0.710 119.144 119.950 -0.161 0.000 2.163 131 F HA -0.106 4.422 4.527 0.001 0.000 0.297 131 F C 1.446 176.992 175.800 -0.423 0.000 1.094 131 F CA 1.206 59.014 58.000 -0.320 0.000 1.290 131 F CB -0.057 38.634 39.000 -0.515 0.000 1.017 131 F HN -0.033 nan 8.300 nan 0.000 0.483 132 F N -0.181 119.543 119.950 -0.377 0.000 2.416 132 F HA 0.004 4.532 4.527 0.001 0.000 0.296 132 F C 2.028 177.528 175.800 -0.500 0.000 1.099 132 F CA 0.716 58.405 58.000 -0.519 0.000 1.427 132 F CB -0.465 38.342 39.000 -0.323 0.000 1.079 132 F HN 0.002 nan 8.300 nan 0.000 0.536 133 N N -0.691 117.794 118.700 -0.359 0.000 2.333 133 N HA -0.001 4.740 4.740 0.001 0.000 0.178 133 N C 1.111 176.229 175.510 -0.654 0.000 1.018 133 N CA 1.261 53.950 53.050 -0.602 0.000 0.882 133 N CB 0.069 37.978 38.487 -0.963 0.000 0.984 133 N HN 0.193 nan 8.380 nan 0.000 0.434 134 F N -1.046 118.764 119.950 -0.234 0.000 2.282 134 F HA 0.268 4.796 4.527 0.001 0.000 0.255 134 F C 1.754 177.417 175.800 -0.228 0.000 0.959 134 F CA -0.705 57.148 58.000 -0.243 0.000 1.170 134 F CB -0.213 38.692 39.000 -0.158 0.000 1.376 134 F HN -0.187 nan 8.300 nan 0.000 0.709 135 D N 1.519 121.938 120.400 0.031 0.000 2.205 135 D HA -0.255 4.386 4.640 0.001 0.000 0.190 135 D C 2.133 178.311 176.300 -0.203 0.000 1.002 135 D CA 1.958 55.935 54.000 -0.039 0.000 0.848 135 D CB -0.937 39.907 40.800 0.074 0.000 0.975 135 D HN 0.244 nan 8.370 nan 0.000 0.449 136 A N 0.138 122.610 122.820 -0.580 0.000 2.186 136 A HA -0.096 4.225 4.320 0.001 0.000 0.219 136 A C 2.157 179.571 177.584 -0.284 0.000 1.159 136 A CA 0.784 52.496 52.037 -0.542 0.000 0.680 136 A CB -0.546 17.886 19.000 -0.946 0.000 0.787 136 A HN 0.275 nan 8.150 nan 0.000 0.467 137 L N -1.775 119.304 121.223 -0.240 0.000 2.640 137 L HA 0.141 4.482 4.340 0.001 0.000 0.230 137 L C 0.506 177.386 176.870 0.016 0.000 1.123 137 L CA 0.069 54.818 54.840 -0.151 0.000 0.900 137 L CB -0.135 41.739 42.059 -0.309 0.000 1.146 137 L HN 0.460 nan 8.230 nan 0.000 0.484 138 N N 1.026 119.707 118.700 -0.032 0.000 2.862 138 N HA -0.170 4.570 4.740 0.001 0.000 0.246 138 N C -0.448 175.030 175.510 -0.054 0.000 1.111 138 N CA 0.428 53.468 53.050 -0.017 0.000 0.688 138 N CB -1.295 37.130 38.487 -0.104 0.000 1.018 138 N HN 0.328 nan 8.380 nan 0.000 0.556 139 I N -0.311 120.189 120.570 -0.118 0.000 2.976 139 I HA 0.277 4.448 4.170 0.001 0.000 0.328 139 I C -2.118 173.943 176.117 -0.094 0.000 1.396 139 I CA -1.587 59.428 61.300 -0.475 0.000 0.869 139 I CB 0.943 38.737 38.000 -0.343 0.000 2.156 139 I HN -0.094 nan 8.210 nan 0.000 0.595 140 P HA -0.098 nan 4.420 nan 0.000 0.272 140 P C -0.111 177.295 177.300 0.176 0.000 1.239 140 P CA 0.068 63.318 63.100 0.251 0.000 0.807 140 P CB 0.391 32.242 31.700 0.252 0.000 0.951 141 E N 0.638 120.851 120.200 0.020 0.000 2.418 141 E HA -0.102 4.249 4.350 0.001 0.000 0.261 141 E C -0.145 176.351 176.600 -0.174 0.000 1.070 141 E CA -0.252 56.028 56.400 -0.200 0.000 0.931 141 E CB -0.337 29.099 29.700 -0.441 0.000 0.954 141 E HN 0.465 nan 8.360 nan 0.000 0.439 142 H N -0.939 118.165 119.070 0.056 0.000 3.100 142 H HA -0.211 4.346 4.556 0.001 0.000 0.271 142 H C -0.114 175.245 175.328 0.052 0.000 1.116 142 H CA 1.296 57.365 56.048 0.034 0.000 1.177 142 H CB -2.322 27.444 29.762 0.007 0.000 1.294 142 H HN 0.644 nan 8.280 nan 0.000 0.334 143 H N 2.379 121.481 119.070 0.052 0.000 3.187 143 H HA -0.030 4.527 4.556 0.001 0.000 0.286 143 H C -1.331 174.042 175.328 0.075 0.000 0.944 143 H CA -0.797 55.287 56.048 0.061 0.000 1.429 143 H CB 0.894 30.675 29.762 0.032 0.000 1.483 143 H HN 0.172 nan 8.280 nan 0.000 0.555 144 P HA -0.141 nan 4.420 nan 0.000 0.216 144 P C 0.880 178.317 177.300 0.228 0.000 1.153 144 P CA 1.914 65.088 63.100 0.123 0.000 0.858 144 P CB 0.172 31.895 31.700 0.039 0.000 0.789 145 A N -0.825 122.279 122.820 0.473 0.000 2.252 145 A HA -0.036 4.285 4.320 0.001 0.000 0.207 145 A C 1.931 179.749 177.584 0.389 0.000 1.194 145 A CA 0.302 52.609 52.037 0.450 0.000 0.809 145 A CB -1.068 18.326 19.000 0.656 0.000 0.814 145 A HN 0.039 nan 8.150 nan 0.000 0.482 146 R N -0.019 120.677 120.500 0.327 0.000 2.391 146 R HA 0.052 4.393 4.340 0.001 0.000 0.249 146 R C -0.542 175.896 176.300 0.230 0.000 0.957 146 R CA 0.185 56.424 56.100 0.231 0.000 1.093 146 R CB 0.030 30.296 30.300 -0.056 0.000 1.156 146 R HN 0.265 nan 8.270 nan 0.000 0.526 147 D N 0.373 120.860 120.400 0.145 0.000 2.440 147 D HA -0.024 4.617 4.640 0.001 0.000 0.216 147 D C 1.017 177.257 176.300 -0.099 0.000 1.150 147 D CA 0.011 54.037 54.000 0.043 0.000 0.832 147 D CB 0.644 41.457 40.800 0.021 0.000 0.992 147 D HN 0.328 nan 8.370 nan 0.000 0.502 148 M N -0.497 118.884 119.600 -0.366 0.000 2.476 148 M HA 0.065 4.546 4.480 0.001 0.000 0.262 148 M C -0.329 175.638 176.300 -0.556 0.000 1.111 148 M CA 0.657 55.570 55.300 -0.645 0.000 1.127 148 M CB 0.752 32.653 32.600 -1.165 0.000 1.376 148 M HN -0.131 nan 8.290 nan 0.000 0.465 149 W N 1.601 122.928 121.300 0.046 0.000 2.529 149 W HA 0.355 5.016 4.660 0.001 0.000 0.321 149 W C -1.112 175.440 176.519 0.056 0.000 1.047 149 W CA -0.855 56.533 57.345 0.072 0.000 1.216 149 W CB 0.576 30.077 29.460 0.068 0.000 1.357 149 W HN -0.009 nan 8.180 nan 0.000 0.489 150 D N 2.390 122.934 120.400 0.241 0.000 2.505 150 D HA 0.031 4.672 4.640 0.001 0.000 0.242 150 D C 0.579 176.937 176.300 0.096 0.000 1.136 150 D CA 0.043 54.118 54.000 0.126 0.000 0.954 150 D CB 1.079 41.907 40.800 0.048 0.000 1.002 150 D HN 0.117 nan 8.370 nan 0.000 0.512 151 T N 1.154 115.791 114.554 0.137 0.000 2.891 151 T HA -0.061 4.290 4.350 0.001 0.000 0.296 151 T C 0.004 174.616 174.700 -0.146 0.000 1.025 151 T CA 0.336 62.422 62.100 -0.023 0.000 1.149 151 T CB -0.133 68.653 68.868 -0.138 0.000 1.007 151 T HN 0.106 nan 8.240 nan 0.000 0.528 152 F N 5.200 125.061 119.950 -0.149 0.000 2.371 152 F HA 0.432 4.960 4.527 0.002 0.000 0.363 152 F C -0.019 175.628 175.800 -0.254 0.000 1.122 152 F CA -0.994 56.961 58.000 -0.075 0.000 1.129 152 F CB 0.710 39.644 39.000 -0.110 0.000 1.173 152 F HN 0.617 nan 8.300 nan 0.000 0.489 153 W N 5.623 127.073 121.300 0.250 0.000 2.316 153 W HA 0.603 5.264 4.660 0.001 0.000 0.321 153 W C -0.620 175.950 176.519 0.085 0.000 1.203 153 W CA -0.492 56.941 57.345 0.146 0.000 1.214 153 W CB 0.640 30.173 29.460 0.121 0.000 1.169 153 W HN 0.186 nan 8.180 nan 0.000 0.561 154 L N 1.880 123.242 121.223 0.231 0.000 2.304 154 L HA 0.767 5.108 4.340 0.001 0.000 0.268 154 L C 0.052 176.979 176.870 0.096 0.000 1.010 154 L CA -1.025 53.862 54.840 0.079 0.000 0.813 154 L CB 1.954 43.972 42.059 -0.070 0.000 1.315 154 L HN 0.271 nan 8.230 nan 0.000 0.445 155 T N 0.120 114.688 114.554 0.024 0.000 3.143 155 T HA 0.696 5.047 4.350 0.001 0.000 0.312 155 T C -0.847 173.849 174.700 -0.006 0.000 0.986 155 T CA -0.426 61.693 62.100 0.032 0.000 1.024 155 T CB 1.019 69.913 68.868 0.043 0.000 1.030 155 T HN 0.891 nan 8.240 nan 0.000 0.448 156 G N 4.142 112.951 108.800 0.015 0.000 2.334 156 G HA2 0.481 4.442 3.960 0.001 0.000 0.290 156 G HA3 0.481 4.442 3.960 0.001 0.000 0.290 156 G C -1.103 173.854 174.900 0.095 0.000 1.310 156 G CA -0.890 44.225 45.100 0.026 0.000 1.308 156 G HN 0.793 nan 8.290 nan 0.000 0.612 157 E N 1.303 121.551 120.200 0.081 0.000 2.227 157 E HA 0.606 4.957 4.350 0.001 0.000 0.282 157 E C 0.992 177.651 176.600 0.098 0.000 1.015 157 E CA -0.508 55.944 56.400 0.086 0.000 0.823 157 E CB 2.109 31.843 29.700 0.056 0.000 1.081 157 E HN 1.510 nan 8.360 nan 0.000 0.396 158 G N 2.556 111.416 108.800 0.101 0.000 2.195 158 G HA2 -0.291 3.670 3.960 0.001 0.000 0.224 158 G HA3 -0.291 3.670 3.960 0.001 0.000 0.224 158 G C -0.320 174.646 174.900 0.110 0.000 0.990 158 G CA -0.150 44.999 45.100 0.081 0.000 0.639 158 G HN 0.551 nan 8.290 nan 0.000 0.514 159 F N 2.457 122.413 119.950 0.010 0.000 2.410 159 F HA 0.729 5.257 4.527 0.001 0.000 0.348 159 F C 0.774 176.582 175.800 0.014 0.000 1.106 159 F CA -0.982 57.023 58.000 0.008 0.000 1.163 159 F CB 0.728 39.733 39.000 0.008 0.000 1.129 159 F HN -0.006 nan 8.300 nan 0.000 0.516 160 R N 6.766 126.834 120.500 -0.720 0.000 2.346 160 R HA 0.318 4.658 4.340 0.001 0.000 0.309 160 R C -1.236 174.663 176.300 -0.668 0.000 1.119 160 R CA -0.932 54.868 56.100 -0.500 0.000 1.112 160 R CB 0.675 30.803 30.300 -0.288 0.000 1.132 160 R HN 0.584 nan 8.270 nan 0.000 0.538 161 L N 2.980 123.953 121.223 -0.417 0.000 2.349 161 L HA 0.220 4.561 4.340 0.001 0.000 0.275 161 L C -0.168 176.665 176.870 -0.062 0.000 1.115 161 L CA 0.221 54.967 54.840 -0.156 0.000 0.820 161 L CB 0.708 42.873 42.059 0.177 0.000 1.135 161 L HN 0.549 nan 8.230 nan 0.000 0.445 162 E N 3.442 123.620 120.200 -0.037 0.000 2.234 162 E HA 0.607 4.958 4.350 0.001 0.000 0.266 162 E C -0.321 176.300 176.600 0.035 0.000 0.877 162 E CA -0.908 55.492 56.400 0.000 0.000 0.758 162 E CB 1.289 30.966 29.700 -0.039 0.000 1.170 162 E HN 0.754 nan 8.360 nan 0.000 0.415 163 G N 2.874 111.738 108.800 0.106 0.000 2.588 163 G HA2 0.221 4.182 3.960 0.001 0.000 0.278 163 G HA3 0.221 4.182 3.960 0.001 0.000 0.278 163 G C -1.616 173.300 174.900 0.027 0.000 1.307 163 G CA -1.183 43.989 45.100 0.120 0.000 1.016 163 G HN 0.359 nan 8.290 nan 0.000 0.503 164 P HA -0.152 nan 4.420 nan 0.000 0.210 164 P C 1.296 178.601 177.300 0.009 0.000 1.151 164 P CA 1.141 64.222 63.100 -0.031 0.000 0.949 164 P CB -0.010 31.695 31.700 0.009 0.000 0.786 165 L N -0.948 120.313 121.223 0.064 0.000 2.974 165 L HA 0.145 4.486 4.340 0.001 0.000 0.250 165 L C 1.451 178.331 176.870 0.015 0.000 1.376 165 L CA 0.321 55.175 54.840 0.023 0.000 1.170 165 L CB -1.660 40.418 42.059 0.031 0.000 1.577 165 L HN 0.259 nan 8.230 nan 0.000 0.429 166 G N 0.104 108.907 108.800 0.005 0.000 2.243 166 G HA2 -0.334 3.627 3.960 0.001 0.000 0.276 166 G HA3 -0.334 3.627 3.960 0.001 0.000 0.276 166 G C 0.563 175.468 174.900 0.009 0.000 0.997 166 G CA 0.906 46.004 45.100 -0.004 0.000 0.693 166 G HN 0.652 nan 8.290 nan 0.000 0.529 167 E N 0.817 121.040 120.200 0.039 0.000 2.374 167 E HA 0.326 4.677 4.350 0.001 0.000 0.260 167 E C -0.283 176.351 176.600 0.057 0.000 1.101 167 E CA -0.541 55.884 56.400 0.042 0.000 0.907 167 E CB 0.712 30.445 29.700 0.056 0.000 1.014 167 E HN 0.224 nan 8.360 nan 0.000 0.427 168 E N 1.413 121.636 120.200 0.037 0.000 2.217 168 E HA 0.147 4.497 4.350 0.001 0.000 0.279 168 E C -0.437 176.210 176.600 0.079 0.000 1.068 168 E CA -0.370 56.052 56.400 0.037 0.000 0.882 168 E CB 1.211 30.916 29.700 0.009 0.000 1.039 168 E HN 0.379 nan 8.360 nan 0.000 0.418 169 V N 3.727 123.715 119.914 0.122 0.000 2.509 169 V HA 0.165 4.285 4.120 0.001 0.000 0.284 169 V C 0.006 176.165 176.094 0.108 0.000 1.047 169 V CA -0.393 62.007 62.300 0.167 0.000 0.952 169 V CB 1.217 33.232 31.823 0.320 0.000 0.988 169 V HN 0.472 nan 8.190 nan 0.000 0.469 170 E N 3.795 124.029 120.200 0.057 0.000 2.239 170 E HA 0.851 5.202 4.350 0.001 0.000 0.261 170 E C 0.207 176.835 176.600 0.046 0.000 1.016 170 E CA 0.302 56.730 56.400 0.046 0.000 0.882 170 E CB 1.704 31.413 29.700 0.015 0.000 1.190 170 E HN 1.323 nan 8.360 nan 0.000 0.415 171 G N 0.313 109.156 108.800 0.071 0.000 2.340 171 G HA2 -0.062 3.899 3.960 0.001 0.000 0.527 171 G HA3 -0.062 3.899 3.960 0.001 0.000 0.527 171 G C -1.185 173.802 174.900 0.145 0.000 1.381 171 G CA -1.100 44.060 45.100 0.099 0.000 1.001 171 G HN 0.322 nan 8.290 nan 0.000 0.626 172 R N 0.093 120.710 120.500 0.195 0.000 2.351 172 R HA 0.313 4.654 4.340 0.001 0.000 0.318 172 R C 0.811 177.278 176.300 0.279 0.000 1.055 172 R CA -0.228 56.034 56.100 0.269 0.000 0.968 172 R CB 0.305 30.840 30.300 0.391 0.000 0.974 172 R HN 0.435 nan 8.270 nan 0.000 0.439 173 L N 4.943 126.295 121.223 0.215 0.000 2.467 173 L HA 0.177 4.518 4.340 0.001 0.000 0.270 173 L C 0.047 176.969 176.870 0.088 0.000 1.205 173 L CA 0.150 55.070 54.840 0.134 0.000 0.828 173 L CB 0.272 42.385 42.059 0.090 0.000 1.101 173 L HN 0.529 nan 8.230 nan 0.000 0.479 174 L N 0.804 121.995 121.223 -0.053 0.000 3.064 174 L HA 0.536 4.877 4.340 0.001 0.000 0.282 174 L C -1.527 175.244 176.870 -0.166 0.000 1.045 174 L CA -0.816 53.916 54.840 -0.179 0.000 0.986 174 L CB 1.272 43.047 42.059 -0.473 0.000 1.571 174 L HN 0.226 nan 8.230 nan 0.000 0.377 175 L N 1.863 122.993 121.223 -0.154 0.000 2.287 175 L HA 0.627 4.968 4.340 0.001 0.000 0.287 175 L C 0.097 176.963 176.870 -0.007 0.000 1.022 175 L CA -0.770 54.044 54.840 -0.043 0.000 0.814 175 L CB 1.453 43.463 42.059 -0.081 0.000 1.217 175 L HN 0.748 nan 8.230 nan 0.000 0.420 176 R N 0.608 121.097 120.500 -0.019 0.000 2.537 176 R HA -0.001 4.340 4.340 0.001 0.000 0.281 176 R C 0.527 176.803 176.300 -0.040 0.000 0.988 176 R CA 0.381 56.423 56.100 -0.096 0.000 1.077 176 R CB -0.134 30.104 30.300 -0.103 0.000 0.932 176 R HN 0.725 nan 8.270 nan 0.000 0.409 177 T N -0.279 114.228 114.554 -0.078 0.000 3.107 177 T HA 0.075 4.426 4.350 0.001 0.000 0.249 177 T C 0.179 174.952 174.700 0.123 0.000 1.096 177 T CA 0.278 62.387 62.100 0.015 0.000 1.012 177 T CB -0.788 68.108 68.868 0.045 0.000 0.977 177 T HN 0.954 nan 8.240 nan 0.000 0.527 178 H N -3.001 116.020 119.070 -0.081 0.000 2.935 178 H HA 0.370 4.926 4.556 0.001 0.000 0.297 178 H C 0.279 175.516 175.328 -0.151 0.000 1.423 178 H CA -0.626 55.410 56.048 -0.020 0.000 1.161 178 H CB 0.538 30.368 29.762 0.114 0.000 1.841 178 H HN -0.001 nan 8.280 nan 0.000 0.506 179 T N -2.021 112.476 114.554 -0.097 0.000 3.081 179 T HA -0.012 4.339 4.350 0.001 0.000 0.255 179 T C 1.572 176.035 174.700 -0.395 0.000 1.113 179 T CA 0.704 62.669 62.100 -0.226 0.000 1.082 179 T CB -0.254 68.518 68.868 -0.160 0.000 0.939 179 T HN 0.436 nan 8.240 nan 0.000 0.506 180 S N 2.954 118.283 115.700 -0.617 0.000 2.428 180 S HA -0.058 4.413 4.470 0.001 0.000 0.240 180 S C -0.708 173.480 174.600 -0.687 0.000 1.036 180 S CA 1.377 59.123 58.200 -0.756 0.000 1.009 180 S CB -1.181 61.312 63.200 -1.179 0.000 0.803 180 S HN 0.500 nan 8.310 nan 0.000 0.486 181 P HA -0.003 nan 4.420 nan 0.000 0.225 181 P C 1.278 178.362 177.300 -0.361 0.000 1.148 181 P CA 0.741 63.571 63.100 -0.451 0.000 0.779 181 P CB 0.018 31.503 31.700 -0.359 0.000 0.780 182 M N -0.984 118.415 119.600 -0.334 0.000 2.549 182 M HA -0.088 4.393 4.480 0.001 0.000 0.260 182 M C 1.721 177.893 176.300 -0.214 0.000 1.076 182 M CA 1.456 56.599 55.300 -0.261 0.000 1.090 182 M CB -1.150 31.313 32.600 -0.229 0.000 1.418 182 M HN 0.097 nan 8.290 nan 0.000 0.486 183 Q N -1.194 118.457 119.800 -0.248 0.000 2.049 183 Q HA -0.101 4.240 4.340 0.001 0.000 0.198 183 Q C 2.082 178.009 176.000 -0.121 0.000 0.971 183 Q CA 1.321 57.019 55.803 -0.174 0.000 0.833 183 Q CB 0.032 28.633 28.738 -0.229 0.000 0.896 183 Q HN 0.292 nan 8.270 nan 0.000 0.434 184 V N 1.039 120.850 119.914 -0.172 0.000 2.358 184 V HA -0.265 3.856 4.120 0.001 0.000 0.246 184 V C 2.198 178.237 176.094 -0.092 0.000 1.047 184 V CA 1.766 64.006 62.300 -0.100 0.000 1.035 184 V CB -0.479 31.307 31.823 -0.062 0.000 0.658 184 V HN 0.296 nan 8.190 nan 0.000 0.452 185 R N -0.975 119.374 120.500 -0.251 0.000 2.070 185 R HA -0.197 4.144 4.340 0.001 0.000 0.232 185 R C 2.362 178.599 176.300 -0.106 0.000 1.138 185 R CA 2.126 58.039 56.100 -0.313 0.000 0.936 185 R CB -0.725 29.290 30.300 -0.475 0.000 0.839 185 R HN 0.559 nan 8.270 nan 0.000 0.429 186 Y N 1.095 121.277 120.300 -0.198 0.000 2.315 186 Y HA -0.193 4.358 4.550 0.001 0.000 0.288 186 Y C 2.111 177.941 175.900 -0.116 0.000 1.154 186 Y CA 1.532 59.511 58.100 -0.201 0.000 1.229 186 Y CB -0.007 38.233 38.460 -0.368 0.000 0.980 186 Y HN 0.024 nan 8.280 nan 0.000 0.540 187 M N -1.196 118.430 119.600 0.043 0.000 2.388 187 M HA -0.068 4.413 4.480 0.001 0.000 0.265 187 M C 2.077 178.515 176.300 0.230 0.000 1.088 187 M CA 1.112 56.472 55.300 0.101 0.000 1.134 187 M CB 0.020 32.498 32.600 -0.204 0.000 1.384 187 M HN 0.284 nan 8.290 nan 0.000 0.447 188 V N -2.419 117.590 119.914 0.158 0.000 3.129 188 V HA 0.136 4.256 4.120 0.001 0.000 0.259 188 V C 1.879 178.042 176.094 0.115 0.000 1.116 188 V CA 1.339 63.776 62.300 0.229 0.000 1.127 188 V CB -0.863 31.158 31.823 0.330 0.000 0.742 188 V HN 0.281 nan 8.190 nan 0.000 0.474 189 A N -0.166 122.663 122.820 0.015 0.000 1.887 189 A HA 0.268 4.589 4.320 0.001 0.000 0.212 189 A C 1.169 178.559 177.584 -0.323 0.000 1.198 189 A CA 0.828 52.783 52.037 -0.136 0.000 0.628 189 A CB -0.416 18.506 19.000 -0.131 0.000 0.847 189 A HN 0.733 nan 8.150 nan 0.000 0.449 190 H N -1.758 117.064 119.070 -0.414 0.000 2.649 190 H HA 0.627 5.184 4.556 0.001 0.000 0.337 190 H C -0.051 175.226 175.328 -0.085 0.000 1.282 190 H CA 0.046 55.878 56.048 -0.360 0.000 1.333 190 H CB 0.815 30.131 29.762 -0.744 0.000 1.787 190 H HN 0.153 nan 8.280 nan 0.000 0.632 191 T N 1.365 115.980 114.554 0.101 0.000 2.887 191 T HA 0.424 4.775 4.350 0.001 0.000 0.288 191 T C -2.663 172.188 174.700 0.252 0.000 1.021 191 T CA -2.120 60.020 62.100 0.068 0.000 1.000 191 T CB 0.963 69.802 68.868 -0.049 0.000 1.034 191 T HN 0.403 nan 8.240 nan 0.000 0.467 192 P HA 0.425 nan 4.420 nan 0.000 0.274 192 P C -2.690 174.651 177.300 0.068 0.000 1.246 192 P CA -1.243 61.987 63.100 0.217 0.000 0.795 192 P CB -0.667 31.029 31.700 -0.005 0.000 1.006 193 P HA 0.424 nan 4.420 nan 0.000 0.278 193 P C -0.890 176.472 177.300 0.104 0.000 1.238 193 P CA 0.047 63.122 63.100 -0.043 0.000 0.794 193 P CB 0.242 31.892 31.700 -0.083 0.000 0.955 194 F N -1.645 118.283 119.950 -0.038 0.000 2.741 194 F HA 0.634 5.162 4.527 0.001 0.000 0.311 194 F C -1.390 174.292 175.800 -0.196 0.000 1.149 194 F CA -1.276 56.688 58.000 -0.061 0.000 0.930 194 F CB 1.534 40.573 39.000 0.066 0.000 1.312 194 F HN 0.027 nan 8.300 nan 0.000 0.450 195 R N 2.669 123.189 120.500 0.032 0.000 2.483 195 R HA 0.771 5.112 4.340 0.001 0.000 0.303 195 R C -1.338 174.916 176.300 -0.075 0.000 0.987 195 R CA -0.767 55.167 56.100 -0.277 0.000 0.881 195 R CB 2.357 32.223 30.300 -0.724 0.000 1.177 195 R HN 0.882 nan 8.270 nan 0.000 0.451 196 I N -0.964 119.600 120.570 -0.010 0.000 2.730 196 I HA 0.702 4.873 4.170 0.001 0.000 0.298 196 I C -1.113 174.974 176.117 -0.050 0.000 1.089 196 I CA -1.195 60.036 61.300 -0.115 0.000 1.041 196 I CB 2.392 40.054 38.000 -0.563 0.000 1.235 196 I HN 0.282 nan 8.210 nan 0.000 0.423 197 V N 6.398 126.252 119.914 -0.101 0.000 2.483 197 V HA 0.603 4.724 4.120 0.001 0.000 0.297 197 V C -1.251 174.728 176.094 -0.192 0.000 1.027 197 V CA -0.492 61.678 62.300 -0.216 0.000 0.855 197 V CB 1.926 33.617 31.823 -0.220 0.000 0.995 197 V HN 0.721 nan 8.190 nan 0.000 0.424 198 V N 9.343 129.126 119.914 -0.218 0.000 2.305 198 V HA 0.690 4.810 4.120 0.001 0.000 0.275 198 V C -2.527 173.490 176.094 -0.130 0.000 1.020 198 V CA -1.922 60.276 62.300 -0.171 0.000 0.811 198 V CB 1.658 33.363 31.823 -0.197 0.000 1.031 198 V HN 0.872 nan 8.190 nan 0.000 0.439 199 P HA 0.654 nan 4.420 nan 0.000 0.273 199 P C 0.024 177.294 177.300 -0.050 0.000 1.250 199 P CA 0.284 63.352 63.100 -0.054 0.000 0.793 199 P CB 0.880 32.553 31.700 -0.045 0.000 1.011 200 G N -0.700 108.095 108.800 -0.009 0.000 2.376 200 G HA2 0.273 4.234 3.960 0.001 0.000 0.302 200 G HA3 0.273 4.234 3.960 0.001 0.000 0.302 200 G C -1.774 173.107 174.900 -0.031 0.000 1.586 200 G CA -0.871 44.218 45.100 -0.019 0.000 0.907 200 G HN 0.556 nan 8.290 nan 0.000 0.655 201 R N 0.143 120.556 120.500 -0.145 0.000 2.265 201 R HA 0.635 4.975 4.340 0.001 0.000 0.314 201 R C 0.168 175.965 176.300 -0.839 0.000 1.053 201 R CA -0.377 55.363 56.100 -0.599 0.000 0.931 201 R CB 1.018 30.986 30.300 -0.553 0.000 1.024 201 R HN 1.043 nan 8.270 nan 0.000 0.457 202 V N 1.890 121.192 119.914 -1.020 0.000 2.815 202 V HA 0.708 4.829 4.120 0.001 0.000 0.314 202 V C -1.110 174.178 176.094 -1.344 0.000 1.064 202 V CA -1.000 60.690 62.300 -1.016 0.000 0.952 202 V CB 1.663 33.117 31.823 -0.616 0.000 1.020 202 V HN 0.637 nan 8.190 nan 0.000 0.439 203 F N 1.802 121.515 119.950 -0.395 0.000 2.493 203 F HA 0.834 5.361 4.527 0.001 0.000 0.329 203 F C 0.408 176.277 175.800 0.116 0.000 1.126 203 F CA -0.630 57.240 58.000 -0.216 0.000 0.937 203 F CB 2.083 40.954 39.000 -0.215 0.000 1.146 203 F HN 0.441 nan 8.300 nan 0.000 0.442 204 R N 1.353 122.116 120.500 0.440 0.000 2.837 204 R HA 0.475 4.815 4.340 0.001 0.000 0.271 204 R C -1.771 174.699 176.300 0.284 0.000 0.993 204 R CA -1.095 55.248 56.100 0.403 0.000 0.931 204 R CB 2.425 33.003 30.300 0.462 0.000 1.206 204 R HN 0.501 nan 8.270 nan 0.000 0.474 205 F N 3.299 123.109 119.950 -0.235 0.000 2.309 205 F HA 0.259 4.787 4.527 0.002 0.000 0.366 205 F C -0.666 175.082 175.800 -0.087 0.000 1.104 205 F CA -0.812 56.948 58.000 -0.401 0.000 1.179 205 F CB 0.144 38.748 39.000 -0.661 0.000 1.437 205 F HN 0.431 nan 8.300 nan 0.000 0.528 206 E N 2.826 123.262 120.200 0.394 0.000 2.352 206 E HA 0.283 4.634 4.350 0.001 0.000 0.280 206 E C -1.441 175.293 176.600 0.224 0.000 0.930 206 E CA -1.302 55.267 56.400 0.281 0.000 0.765 206 E CB 1.362 31.185 29.700 0.204 0.000 1.219 206 E HN 0.241 nan 8.360 nan 0.000 0.434 207 Q N 1.988 121.884 119.800 0.161 0.000 2.330 207 Q HA 0.107 4.448 4.340 0.001 0.000 0.279 207 Q C -0.372 175.681 176.000 0.088 0.000 1.024 207 Q CA 0.403 56.274 55.803 0.112 0.000 0.900 207 Q CB 0.819 29.597 28.738 0.067 0.000 1.221 207 Q HN 0.662 nan 8.270 nan 0.000 0.396 208 T N 1.062 115.674 114.554 0.096 0.000 2.882 208 T HA 0.600 4.951 4.350 0.001 0.000 0.287 208 T C -0.169 174.577 174.700 0.076 0.000 1.014 208 T CA -0.163 62.005 62.100 0.113 0.000 1.049 208 T CB 1.103 70.037 68.868 0.109 0.000 1.001 208 T HN 0.734 nan 8.240 nan 0.000 0.525 209 D N 0.239 120.706 120.400 0.112 0.000 3.309 209 D HA 0.384 5.025 4.640 0.001 0.000 0.335 209 D C 1.262 177.639 176.300 0.127 0.000 1.393 209 D CA -0.163 53.889 54.000 0.086 0.000 0.963 209 D CB 0.562 41.384 40.800 0.037 0.000 1.431 209 D HN 0.642 nan 8.370 nan 0.000 0.583 210 A N -0.840 122.055 122.820 0.126 0.000 2.015 210 A HA 0.130 4.450 4.320 0.001 0.000 0.219 210 A C 1.454 179.135 177.584 0.162 0.000 1.163 210 A CA 2.379 54.494 52.037 0.131 0.000 0.646 210 A CB -0.827 18.238 19.000 0.109 0.000 0.806 210 A HN 0.808 nan 8.150 nan 0.000 0.448 211 T N -3.587 111.103 114.554 0.226 0.000 3.442 211 T HA 0.515 4.866 4.350 0.001 0.000 0.295 211 T C -0.444 174.185 174.700 -0.118 0.000 1.007 211 T CA -0.434 61.730 62.100 0.107 0.000 0.962 211 T CB -0.336 68.569 68.868 0.061 0.000 1.187 211 T HN 0.360 nan 8.240 nan 0.000 0.490 212 H N -0.320 118.773 119.070 0.038 0.000 2.996 212 H HA 0.794 5.351 4.556 0.001 0.000 0.368 212 H C -0.726 174.645 175.328 0.071 0.000 1.185 212 H CA -0.617 55.435 56.048 0.007 0.000 1.160 212 H CB 1.725 31.491 29.762 0.006 0.000 1.820 212 H HN 0.058 nan 8.280 nan 0.000 0.547 213 E N 0.062 120.373 120.200 0.185 0.000 2.450 213 E HA 0.664 5.015 4.350 0.001 0.000 0.272 213 E C -0.241 176.573 176.600 0.357 0.000 0.967 213 E CA -0.676 55.881 56.400 0.262 0.000 0.818 213 E CB 2.319 32.208 29.700 0.316 0.000 1.401 213 E HN 0.591 nan 8.360 nan 0.000 0.450 214 A N -0.039 122.962 122.820 0.302 0.000 2.229 214 A HA 0.290 4.611 4.320 0.001 0.000 0.211 214 A C -0.001 177.746 177.584 0.271 0.000 1.193 214 A CA 0.199 52.437 52.037 0.335 0.000 0.879 214 A CB 0.723 19.866 19.000 0.237 0.000 0.911 214 A HN 0.097 nan 8.150 nan 0.000 0.492 215 V N 1.619 121.600 119.914 0.111 0.000 2.447 215 V HA 0.603 4.724 4.120 0.001 0.000 0.292 215 V C -0.881 175.119 176.094 -0.155 0.000 1.021 215 V CA -0.555 61.615 62.300 -0.216 0.000 0.850 215 V CB 0.513 32.086 31.823 -0.416 0.000 1.005 215 V HN 0.470 nan 8.190 nan 0.000 0.426 216 F N 1.620 121.395 119.950 -0.292 0.000 2.754 216 F HA 0.824 5.352 4.527 0.001 0.000 0.320 216 F C -0.873 174.680 175.800 -0.411 0.000 1.156 216 F CA -1.276 56.602 58.000 -0.202 0.000 0.950 216 F CB 1.450 40.429 39.000 -0.034 0.000 1.388 216 F HN 0.375 nan 8.300 nan 0.000 0.485 217 H N -0.109 119.053 119.070 0.153 0.000 2.492 217 H HA 0.625 5.182 4.556 0.001 0.000 0.345 217 H C -0.858 174.539 175.328 0.116 0.000 1.136 217 H CA -0.642 55.414 56.048 0.013 0.000 1.202 217 H CB 1.838 31.564 29.762 -0.060 0.000 1.524 217 H HN 0.568 nan 8.280 nan 0.000 0.506 218 Q N 0.910 120.810 119.800 0.166 0.000 2.712 218 Q HA 0.600 4.941 4.340 0.001 0.000 0.267 218 Q C -1.314 174.739 176.000 0.088 0.000 1.062 218 Q CA -1.346 54.550 55.803 0.156 0.000 0.888 218 Q CB 2.748 31.582 28.738 0.159 0.000 1.374 218 Q HN 0.376 nan 8.270 nan 0.000 0.498 219 L N 1.050 122.325 121.223 0.087 0.000 2.555 219 L HA 0.326 4.666 4.340 0.001 0.000 0.264 219 L C -1.304 175.555 176.870 -0.018 0.000 0.972 219 L CA -0.220 54.641 54.840 0.034 0.000 0.876 219 L CB 1.606 43.718 42.059 0.088 0.000 1.216 219 L HN 0.425 nan 8.230 nan 0.000 0.415 220 E N 2.397 122.499 120.200 -0.163 0.000 2.349 220 E HA 0.716 5.067 4.350 0.001 0.000 0.262 220 E C -0.196 176.010 176.600 -0.657 0.000 1.088 220 E CA -0.224 55.975 56.400 -0.335 0.000 0.899 220 E CB 1.794 31.315 29.700 -0.299 0.000 1.044 220 E HN 0.753 nan 8.360 nan 0.000 0.420 221 G N 1.333 109.455 108.800 -1.130 0.000 2.744 221 G HA2 0.473 4.434 3.960 0.001 0.000 0.286 221 G HA3 0.473 4.434 3.960 0.001 0.000 0.286 221 G C -1.726 172.753 174.900 -0.702 0.000 1.497 221 G CA -0.399 43.858 45.100 -1.405 0.000 1.070 221 G HN 0.234 nan 8.290 nan 0.000 0.539 222 L N 3.070 124.105 121.223 -0.313 0.000 2.406 222 L HA 0.752 5.093 4.340 0.001 0.000 0.272 222 L C -1.115 175.583 176.870 -0.286 0.000 0.980 222 L CA -0.790 53.915 54.840 -0.226 0.000 0.831 222 L CB 2.255 44.254 42.059 -0.100 0.000 1.253 222 L HN 0.288 nan 8.230 nan 0.000 0.406 223 V N 6.204 125.753 119.914 -0.610 0.000 2.357 223 V HA 0.482 4.603 4.120 0.001 0.000 0.281 223 V C -0.181 175.481 176.094 -0.720 0.000 1.015 223 V CA -0.571 61.240 62.300 -0.815 0.000 0.827 223 V CB 1.502 32.611 31.823 -1.189 0.000 1.018 223 V HN 0.530 nan 8.190 nan 0.000 0.432 224 V N 3.243 122.680 119.914 -0.796 0.000 2.713 224 V HA 1.024 5.144 4.120 0.001 0.000 0.307 224 V C 0.661 176.476 176.094 -0.465 0.000 1.052 224 V CA 0.202 62.194 62.300 -0.514 0.000 0.967 224 V CB 1.755 33.307 31.823 -0.452 0.000 1.019 224 V HN 1.068 nan 8.190 nan 0.000 0.459 225 G N 2.282 110.931 108.800 -0.252 0.000 2.368 225 G HA2 0.286 4.247 3.960 0.001 0.000 0.303 225 G HA3 0.286 4.247 3.960 0.001 0.000 0.303 225 G C -1.051 173.777 174.900 -0.120 0.000 1.590 225 G CA -0.617 44.364 45.100 -0.199 0.000 0.938 225 G HN 0.904 nan 8.290 nan 0.000 0.675 226 E N 0.007 120.148 120.200 -0.097 0.000 2.316 226 E HA 0.484 4.835 4.350 0.001 0.000 0.275 226 E C 1.063 177.643 176.600 -0.033 0.000 1.029 226 E CA 0.390 56.758 56.400 -0.055 0.000 0.871 226 E CB 0.964 30.633 29.700 -0.052 0.000 1.022 226 E HN 2.309 nan 8.360 nan 0.000 0.418 227 G N 3.945 112.751 108.800 0.010 0.000 2.176 227 G HA2 -0.198 3.763 3.960 0.001 0.000 0.232 227 G HA3 -0.198 3.763 3.960 0.001 0.000 0.232 227 G C 0.123 175.083 174.900 0.100 0.000 0.986 227 G CA -0.038 45.090 45.100 0.047 0.000 0.643 227 G HN 0.533 nan 8.290 nan 0.000 0.522 228 I N 1.849 122.460 120.570 0.068 0.000 2.496 228 I HA 0.596 4.767 4.170 0.001 0.000 0.285 228 I C 0.900 177.248 176.117 0.384 0.000 1.080 228 I CA 0.152 61.545 61.300 0.154 0.000 1.404 228 I CB 0.665 38.695 38.000 0.050 0.000 1.403 228 I HN 0.442 nan 8.210 nan 0.000 0.539 229 A N 6.398 129.669 122.820 0.751 0.000 2.387 229 A HA 0.559 4.880 4.320 0.001 0.000 0.298 229 A C 0.830 178.517 177.584 0.173 0.000 1.165 229 A CA -0.682 51.522 52.037 0.278 0.000 0.814 229 A CB 1.361 20.362 19.000 0.001 0.000 1.357 229 A HN 0.766 nan 8.150 nan 0.000 0.443 230 M N 0.228 119.842 119.600 0.024 0.000 2.374 230 M HA -0.028 4.453 4.480 0.001 0.000 0.264 230 M C 1.741 177.908 176.300 -0.221 0.000 1.067 230 M CA 1.793 57.052 55.300 -0.068 0.000 1.103 230 M CB -0.197 32.357 32.600 -0.076 0.000 1.402 230 M HN 0.860 nan 8.290 nan 0.000 0.444 231 A N -0.326 122.336 122.820 -0.263 0.000 1.972 231 A HA -0.210 4.111 4.320 0.001 0.000 0.219 231 A C 1.519 178.910 177.584 -0.323 0.000 1.169 231 A CA 1.905 53.739 52.037 -0.338 0.000 0.635 231 A CB -1.132 17.641 19.000 -0.378 0.000 0.810 231 A HN 0.735 nan 8.150 nan 0.000 0.446 232 H N -1.311 117.725 119.070 -0.056 0.000 2.395 232 H HA -0.005 4.552 4.556 0.001 0.000 0.299 232 H C 1.946 177.085 175.328 -0.314 0.000 1.070 232 H CA 1.161 57.216 56.048 0.013 0.000 1.356 232 H CB -0.087 29.850 29.762 0.292 0.000 1.401 232 H HN 0.445 nan 8.280 nan 0.000 0.524 233 L N 1.488 122.333 121.223 -0.630 0.000 2.017 233 L HA -0.145 4.196 4.340 0.001 0.000 0.208 233 L C 1.669 178.229 176.870 -0.517 0.000 1.073 233 L CA 1.825 55.955 54.840 -1.183 0.000 0.745 233 L CB -0.327 41.287 42.059 -0.742 0.000 0.894 233 L HN 0.008 nan 8.230 nan 0.000 0.432 234 K N -0.386 119.728 120.400 -0.478 0.000 2.147 234 K HA -0.053 4.268 4.320 0.001 0.000 0.205 234 K C 1.988 178.526 176.600 -0.105 0.000 1.049 234 K CA 1.039 57.039 56.287 -0.479 0.000 0.936 234 K CB -0.574 31.526 32.500 -0.668 0.000 0.722 234 K HN 0.602 nan 8.250 nan 0.000 0.446 235 G N 1.205 109.960 108.800 -0.075 0.000 2.394 235 G HA2 -0.212 3.749 3.960 0.001 0.000 0.215 235 G HA3 -0.212 3.749 3.960 0.001 0.000 0.215 235 G C 1.607 176.602 174.900 0.158 0.000 1.165 235 G CA 0.830 45.976 45.100 0.077 0.000 0.784 235 G HN 0.326 nan 8.290 nan 0.000 0.535 236 A N 1.469 124.357 122.820 0.113 0.000 1.851 236 A HA -0.031 4.290 4.320 0.001 0.000 0.216 236 A C 2.328 179.926 177.584 0.024 0.000 1.195 236 A CA 1.645 53.781 52.037 0.165 0.000 0.622 236 A CB -0.436 18.755 19.000 0.317 0.000 0.831 236 A HN 0.245 nan 8.150 nan 0.000 0.444 237 I N -1.294 119.250 120.570 -0.043 0.000 2.248 237 I HA -0.254 3.916 4.170 0.001 0.000 0.248 237 I C 2.414 178.576 176.117 0.075 0.000 1.107 237 I CA 1.704 62.950 61.300 -0.091 0.000 1.373 237 I CB -1.738 36.184 38.000 -0.131 0.000 1.055 237 I HN 0.585 nan 8.210 nan 0.000 0.418 238 Y N 2.156 122.494 120.300 0.062 0.000 2.274 238 Y HA -0.205 4.346 4.550 0.002 0.000 0.290 238 Y C 2.475 178.399 175.900 0.040 0.000 1.145 238 Y CA 1.622 59.773 58.100 0.084 0.000 1.203 238 Y CB -0.014 38.490 38.460 0.074 0.000 0.984 238 Y HN 0.152 nan 8.280 nan 0.000 0.533 239 E N -0.180 119.996 120.200 -0.041 0.000 2.086 239 E HA -0.128 4.223 4.350 0.001 0.000 0.190 239 E C 2.173 178.628 176.600 -0.243 0.000 0.975 239 E CA 0.871 57.175 56.400 -0.159 0.000 0.813 239 E CB -0.550 29.117 29.700 -0.055 0.000 0.768 239 E HN 0.496 nan 8.360 nan 0.000 0.457 240 L N 1.217 122.282 121.223 -0.264 0.000 2.042 240 L HA -0.136 4.205 4.340 0.001 0.000 0.210 240 L C 2.149 178.961 176.870 -0.096 0.000 1.076 240 L CA 2.091 56.756 54.840 -0.293 0.000 0.749 240 L CB -0.692 41.236 42.059 -0.217 0.000 0.893 240 L HN 0.024 nan 8.230 nan 0.000 0.432 241 A N -1.063 121.736 122.820 -0.035 0.000 1.845 241 A HA -0.226 4.095 4.320 0.001 0.000 0.215 241 A C 2.155 179.775 177.584 0.061 0.000 1.195 241 A CA 1.705 53.794 52.037 0.086 0.000 0.616 241 A CB -0.688 18.339 19.000 0.045 0.000 0.832 241 A HN 0.585 nan 8.150 nan 0.000 0.443 242 Q N -0.539 119.159 119.800 -0.169 0.000 1.985 242 Q HA -0.231 4.110 4.340 0.001 0.000 0.207 242 Q C 2.458 178.402 176.000 -0.092 0.000 0.996 242 Q CA 1.926 57.630 55.803 -0.165 0.000 0.851 242 Q CB -1.027 27.529 28.738 -0.304 0.000 0.921 242 Q HN 0.652 nan 8.270 nan 0.000 0.418 243 A N 0.212 122.951 122.820 -0.134 0.000 2.084 243 A HA -0.175 4.146 4.320 0.001 0.000 0.221 243 A C 1.996 179.476 177.584 -0.172 0.000 1.161 243 A CA 1.356 53.309 52.037 -0.141 0.000 0.653 243 A CB -0.325 18.572 19.000 -0.171 0.000 0.802 243 A HN 0.277 nan 8.150 nan 0.000 0.457 244 L N -3.382 117.730 121.223 -0.184 0.000 2.470 244 L HA 0.350 4.691 4.340 0.001 0.000 0.219 244 L C 0.436 176.803 176.870 -0.838 0.000 1.071 244 L CA 1.264 55.824 54.840 -0.467 0.000 0.850 244 L CB 0.031 41.859 42.059 -0.386 0.000 1.040 244 L HN 0.376 nan 8.230 nan 0.000 0.475 245 F N -0.959 118.957 119.950 -0.057 0.000 2.859 245 F HA 0.589 5.116 4.527 0.002 0.000 0.324 245 F C 1.097 176.887 175.800 -0.017 0.000 1.158 245 F CA -0.170 57.821 58.000 -0.015 0.000 1.147 245 F CB -0.196 38.813 39.000 0.015 0.000 1.137 245 F HN -0.028 nan 8.300 nan 0.000 0.516 246 G N 1.342 110.176 108.800 0.057 0.000 2.860 246 G HA2 -0.220 3.741 3.960 0.001 0.000 0.553 246 G HA3 -0.220 3.741 3.960 0.001 0.000 0.553 246 G C -2.023 172.902 174.900 0.043 0.000 1.439 246 G CA -0.803 44.317 45.100 0.033 0.000 0.879 246 G HN 0.090 nan 8.290 nan 0.000 0.545 247 P HA -0.039 nan 4.420 nan 0.000 0.217 247 P C 1.018 178.366 177.300 0.080 0.000 1.151 247 P CA 1.713 64.839 63.100 0.043 0.000 0.849 247 P CB 0.002 31.729 31.700 0.045 0.000 0.787 248 D N -1.327 119.129 120.400 0.093 0.000 2.332 248 D HA 0.028 4.669 4.640 0.001 0.000 0.244 248 D C 0.603 177.024 176.300 0.202 0.000 1.136 248 D CA 0.590 54.667 54.000 0.128 0.000 0.884 248 D CB -0.495 40.375 40.800 0.117 0.000 0.906 248 D HN 0.092 nan 8.370 nan 0.000 0.520 249 S N 0.332 116.136 115.700 0.174 0.000 2.687 249 S HA 0.618 5.088 4.470 0.001 0.000 0.283 249 S C -0.445 174.276 174.600 0.202 0.000 1.170 249 S CA -0.684 57.641 58.200 0.208 0.000 1.008 249 S CB 0.951 64.245 63.200 0.156 0.000 1.026 249 S HN 0.138 nan 8.310 nan 0.000 0.541 250 K N 0.462 121.004 120.400 0.235 0.000 2.568 250 K HA 0.630 4.951 4.320 0.001 0.000 0.273 250 K C -1.150 175.709 176.600 0.432 0.000 0.951 250 K CA -1.066 55.414 56.287 0.322 0.000 0.854 250 K CB 1.153 33.806 32.500 0.256 0.000 1.424 250 K HN 0.467 nan 8.250 nan 0.000 0.427 251 V N -1.388 118.843 119.914 0.528 0.000 2.850 251 V HA 0.699 4.820 4.120 0.001 0.000 0.315 251 V C -0.531 175.884 176.094 0.536 0.000 1.064 251 V CA -0.894 61.742 62.300 0.560 0.000 0.979 251 V CB 1.604 33.716 31.823 0.481 0.000 1.039 251 V HN 0.926 nan 8.190 nan 0.000 0.452 252 R N 2.182 122.855 120.500 0.288 0.000 2.502 252 R HA 0.606 4.946 4.340 0.001 0.000 0.300 252 R C -2.180 174.068 176.300 -0.087 0.000 0.984 252 R CA -0.512 55.567 56.100 -0.035 0.000 0.882 252 R CB 1.549 31.376 30.300 -0.788 0.000 1.180 252 R HN 0.728 nan 8.270 nan 0.000 0.444 253 F N 2.793 122.751 119.950 0.013 0.000 2.444 253 F HA 0.428 4.956 4.527 0.001 0.000 0.342 253 F C 0.102 175.909 175.800 0.011 0.000 1.121 253 F CA -0.297 57.737 58.000 0.057 0.000 0.997 253 F CB 2.141 41.173 39.000 0.054 0.000 1.130 253 F HN 0.318 nan 8.300 nan 0.000 0.454 254 Q N 4.016 123.904 119.800 0.145 0.000 2.372 254 Q HA 0.431 4.772 4.340 0.001 0.000 0.273 254 Q C -2.676 173.399 176.000 0.125 0.000 1.078 254 Q CA -2.395 53.461 55.803 0.088 0.000 0.806 254 Q CB 2.529 31.271 28.738 0.006 0.000 1.332 254 Q HN 0.275 nan 8.270 nan 0.000 0.435 255 P HA 0.080 nan 4.420 nan 0.000 0.267 255 P C -1.078 176.293 177.300 0.117 0.000 1.200 255 P CA 0.001 63.173 63.100 0.121 0.000 0.772 255 P CB 0.671 32.422 31.700 0.085 0.000 0.855 256 V N 2.635 122.644 119.914 0.158 0.000 3.282 256 V HA 0.467 4.587 4.120 0.001 0.000 0.295 256 V C -2.046 174.152 176.094 0.174 0.000 1.451 256 V CA -0.766 61.611 62.300 0.129 0.000 1.062 256 V CB 1.927 33.831 31.823 0.134 0.000 1.128 256 V HN 0.406 nan 8.190 nan 0.000 0.456 257 Y N 2.866 123.071 120.300 -0.158 0.000 2.409 257 Y HA 0.852 5.403 4.550 0.001 0.000 0.339 257 Y C -1.454 174.119 175.900 -0.544 0.000 1.033 257 Y CA -1.416 56.572 58.100 -0.186 0.000 1.094 257 Y CB 1.823 40.198 38.460 -0.142 0.000 1.210 257 Y HN 0.516 nan 8.280 nan 0.000 0.456 258 F N 6.121 125.575 119.950 -0.827 0.000 2.604 258 F HA 0.359 4.887 4.527 0.001 0.000 0.316 258 F C -2.065 173.092 175.800 -1.072 0.000 1.136 258 F CA -1.886 55.519 58.000 -0.992 0.000 0.989 258 F CB 2.085 40.524 39.000 -0.935 0.000 1.258 258 F HN 0.332 nan 8.300 nan 0.000 0.451 259 P HA -0.089 nan 4.420 nan 0.000 0.230 259 P C 0.585 177.786 177.300 -0.165 0.000 1.158 259 P CA 1.081 64.010 63.100 -0.286 0.000 0.769 259 P CB -0.139 31.516 31.700 -0.076 0.000 0.807 260 F N -1.958 117.988 119.950 -0.007 0.000 2.647 260 F HA 0.384 4.912 4.527 0.001 0.000 0.300 260 F C 0.024 175.868 175.800 0.073 0.000 1.106 260 F CA -1.061 56.928 58.000 -0.018 0.000 1.313 260 F CB -0.406 38.562 39.000 -0.053 0.000 1.007 260 F HN -0.307 nan 8.300 nan 0.000 0.536 261 V N -1.700 118.241 119.914 0.044 0.000 2.559 261 V HA 0.512 4.633 4.120 0.001 0.000 0.289 261 V C -1.040 175.154 176.094 0.167 0.000 1.036 261 V CA -0.707 61.664 62.300 0.117 0.000 0.887 261 V CB 1.598 33.456 31.823 0.057 0.000 1.022 261 V HN 0.098 nan 8.190 nan 0.000 0.442 262 E N 5.508 125.803 120.200 0.158 0.000 2.102 262 E HA 0.761 5.112 4.350 0.001 0.000 0.263 262 E C -2.990 173.657 176.600 0.078 0.000 0.894 262 E CA -1.254 55.222 56.400 0.128 0.000 0.746 262 E CB 1.900 31.625 29.700 0.043 0.000 1.129 262 E HN 0.785 nan 8.360 nan 0.000 0.416 263 P HA -0.034 nan 4.420 nan 0.000 0.018 263 P C -0.572 176.819 177.300 0.151 0.000 0.990 263 P CA 0.214 63.384 63.100 0.117 0.000 1.034 263 P CB -0.214 31.537 31.700 0.086 0.000 1.903 264 G N 1.386 110.299 108.800 0.187 0.000 2.507 264 G HA2 0.763 4.724 3.960 0.001 0.000 0.271 264 G HA3 0.763 4.724 3.960 0.001 0.000 0.271 264 G C -0.476 174.581 174.900 0.262 0.000 1.189 264 G CA 0.380 45.625 45.100 0.241 0.000 0.859 264 G HN 0.643 nan 8.290 nan 0.000 0.542 265 A N 0.806 123.819 122.820 0.322 0.000 2.612 265 A HA 0.742 5.063 4.320 0.001 0.000 0.293 265 A C -0.764 177.040 177.584 0.366 0.000 1.075 265 A CA -0.733 51.506 52.037 0.337 0.000 0.680 265 A CB 1.556 20.803 19.000 0.411 0.000 1.279 265 A HN 1.066 nan 8.150 nan 0.000 0.411 266 Q N 0.220 120.183 119.800 0.272 0.000 2.365 266 Q HA 0.831 5.171 4.340 0.001 0.000 0.269 266 Q C -1.110 174.926 176.000 0.060 0.000 1.061 266 Q CA -0.714 55.194 55.803 0.176 0.000 0.816 266 Q CB 1.877 30.676 28.738 0.101 0.000 1.325 266 Q HN 1.140 nan 8.270 nan 0.000 0.446 267 F N -0.536 119.294 119.950 -0.200 0.000 2.593 267 F HA 0.975 5.503 4.527 0.001 0.000 0.320 267 F C -1.299 174.373 175.800 -0.213 0.000 1.060 267 F CA -1.180 56.559 58.000 -0.434 0.000 0.940 267 F CB 1.731 40.200 39.000 -0.884 0.000 1.268 267 F HN 0.753 nan 8.300 nan 0.000 0.475 268 A N 1.605 124.406 122.820 -0.031 0.000 2.435 268 A HA 0.794 5.115 4.320 0.001 0.000 0.304 268 A C -1.120 176.725 177.584 0.436 0.000 1.064 268 A CA -0.541 51.579 52.037 0.138 0.000 0.727 268 A CB 1.615 20.712 19.000 0.161 0.000 1.284 268 A HN 1.664 nan 8.150 nan 0.000 0.415 269 V N -0.736 119.391 119.914 0.356 0.000 2.513 269 V HA 0.658 4.779 4.120 0.001 0.000 0.299 269 V C -0.205 175.863 176.094 -0.043 0.000 1.035 269 V CA -0.906 61.525 62.300 0.218 0.000 0.889 269 V CB 1.539 33.359 31.823 -0.004 0.000 0.988 269 V HN 0.993 nan 8.190 nan 0.000 0.440 270 W N 6.465 127.459 121.300 -0.509 0.000 2.345 270 W HA 0.341 5.002 4.660 0.002 0.000 0.308 270 W C -1.246 174.914 176.519 -0.597 0.000 1.273 270 W CA -0.573 56.217 57.345 -0.925 0.000 1.243 270 W CB 1.440 30.264 29.460 -1.060 0.000 1.260 270 W HN 0.968 nan 8.180 nan 0.000 0.509 271 W N 11.803 132.162 121.300 -1.568 0.000 2.292 271 W HA 0.307 4.968 4.660 0.001 0.000 0.352 271 W C -1.959 173.809 176.519 -1.252 0.000 0.962 271 W CA -3.068 53.520 57.345 -1.262 0.000 1.496 271 W CB 0.235 29.169 29.460 -0.876 0.000 1.381 271 W HN 0.257 nan 8.180 nan 0.000 0.363 272 P HA -0.262 nan 4.420 nan 0.000 0.212 272 P C 0.634 177.549 177.300 -0.641 0.000 1.178 272 P CA 2.505 65.275 63.100 -0.551 0.000 0.915 272 P CB 0.210 31.859 31.700 -0.086 0.000 0.788 273 E N -1.059 118.822 120.200 -0.531 0.000 2.499 273 E HA 0.032 4.382 4.350 0.001 0.000 0.207 273 E C 1.187 177.123 176.600 -1.107 0.000 1.175 273 E CA 0.611 56.707 56.400 -0.508 0.000 0.932 273 E CB -0.906 28.747 29.700 -0.078 0.000 0.906 273 E HN 0.348 nan 8.360 nan 0.000 0.556 274 G N -0.752 107.013 108.800 -1.725 0.000 3.912 274 G HA2 0.140 4.101 3.960 0.001 0.000 0.203 274 G HA3 0.140 4.101 3.960 0.001 0.000 0.203 274 G C 0.687 174.847 174.900 -1.233 0.000 1.112 274 G CA -0.221 43.640 45.100 -2.066 0.000 0.871 274 G HN 0.293 nan 8.290 nan 0.000 0.549 275 G N 0.930 109.095 108.800 -1.058 0.000 2.396 275 G HA2 -0.220 3.741 3.960 0.001 0.000 0.288 275 G HA3 -0.220 3.741 3.960 0.001 0.000 0.288 275 G C -0.021 174.506 174.900 -0.622 0.000 0.926 275 G CA 1.230 45.876 45.100 -0.758 0.000 1.211 275 G HN 0.710 nan 8.290 nan 0.000 0.496 276 K N -1.416 118.434 120.400 -0.917 0.000 2.542 276 K HA 0.376 4.696 4.320 0.001 0.000 0.259 276 K C -0.934 175.518 176.600 -0.247 0.000 0.932 276 K CA -0.966 55.166 56.287 -0.257 0.000 0.820 276 K CB 1.544 34.067 32.500 0.039 0.000 1.345 276 K HN 0.163 nan 8.250 nan 0.000 0.432 277 W N 3.887 125.267 121.300 0.134 0.000 2.322 277 W HA 0.353 5.014 4.660 0.001 0.000 0.307 277 W C -0.326 176.215 176.519 0.037 0.000 1.220 277 W CA -0.525 56.909 57.345 0.148 0.000 1.210 277 W CB 0.648 30.226 29.460 0.197 0.000 1.223 277 W HN 0.164 nan 8.180 nan 0.000 0.511 278 L N 3.949 125.303 121.223 0.218 0.000 2.317 278 L HA 0.403 4.744 4.340 0.001 0.000 0.281 278 L C 0.194 177.102 176.870 0.062 0.000 1.024 278 L CA -1.179 53.704 54.840 0.073 0.000 0.810 278 L CB 1.183 43.201 42.059 -0.068 0.000 1.240 278 L HN 0.269 nan 8.230 nan 0.000 0.427 279 E N 3.828 124.022 120.200 -0.009 0.000 2.044 279 E HA 0.219 4.569 4.350 0.001 0.000 0.282 279 E C 0.544 177.019 176.600 -0.208 0.000 1.031 279 E CA -0.152 56.183 56.400 -0.108 0.000 0.824 279 E CB 1.918 31.566 29.700 -0.086 0.000 1.076 279 E HN 0.609 nan 8.360 nan 0.000 0.395 280 L N 0.988 121.979 121.223 -0.386 0.000 2.071 280 L HA 0.164 4.505 4.340 0.001 0.000 0.201 280 L C 1.304 177.855 176.870 -0.532 0.000 1.076 280 L CA 0.921 55.504 54.840 -0.429 0.000 0.755 280 L CB -0.024 41.826 42.059 -0.349 0.000 0.915 280 L HN 0.502 nan 8.230 nan 0.000 0.445 281 G N -1.681 106.455 108.800 -1.106 0.000 2.634 281 G HA2 0.494 4.455 3.960 0.001 0.000 0.309 281 G HA3 0.494 4.455 3.960 0.001 0.000 0.309 281 G C -1.256 173.464 174.900 -0.301 0.000 1.299 281 G CA -0.008 44.799 45.100 -0.488 0.000 0.798 281 G HN 0.189 nan 8.290 nan 0.000 0.490 282 G N -1.595 107.272 108.800 0.112 0.000 2.531 282 G HA2 0.920 4.881 3.960 0.001 0.000 0.313 282 G HA3 0.920 4.881 3.960 0.001 0.000 0.313 282 G C -0.169 174.921 174.900 0.318 0.000 1.238 282 G CA 0.532 45.700 45.100 0.113 0.000 0.994 282 G HN 1.911 nan 8.290 nan 0.000 0.493 283 A N -2.199 120.734 122.820 0.189 0.000 2.457 283 A HA 1.015 5.336 4.320 0.001 0.000 0.305 283 A C -0.088 177.618 177.584 0.203 0.000 1.110 283 A CA 0.376 52.578 52.037 0.275 0.000 0.616 283 A CB 0.911 20.125 19.000 0.358 0.000 1.371 283 A HN 2.677 nan 8.150 nan 0.000 0.525 284 G N -1.681 107.261 108.800 0.238 0.000 2.351 284 G HA2 0.559 4.520 3.960 0.001 0.000 0.353 284 G HA3 0.559 4.520 3.960 0.001 0.000 0.353 284 G C -1.091 173.940 174.900 0.218 0.000 1.358 284 G CA -0.472 44.748 45.100 0.201 0.000 0.995 284 G HN 1.093 nan 8.290 nan 0.000 0.611 285 M N 0.966 120.674 119.600 0.180 0.000 2.185 285 M HA 0.361 4.841 4.480 0.001 0.000 0.357 285 M C 0.992 177.357 176.300 0.109 0.000 1.260 285 M CA -0.716 54.694 55.300 0.183 0.000 1.124 285 M CB 0.781 33.471 32.600 0.150 0.000 1.600 285 M HN 0.461 nan 8.290 nan 0.000 0.467 286 V N 3.974 123.922 119.914 0.057 0.000 2.752 286 V HA -0.125 3.995 4.120 0.001 0.000 0.306 286 V C 0.970 176.941 176.094 -0.205 0.000 1.099 286 V CA 0.302 62.518 62.300 -0.141 0.000 1.240 286 V CB -0.487 31.060 31.823 -0.461 0.000 0.887 286 V HN 0.680 nan 8.190 nan 0.000 0.499 287 H N 7.299 126.239 119.070 -0.216 0.000 2.652 287 H HA 0.161 4.718 4.556 0.001 0.000 0.349 287 H C -1.736 173.469 175.328 -0.204 0.000 1.099 287 H CA -1.914 54.061 56.048 -0.123 0.000 1.417 287 H CB 1.815 31.572 29.762 -0.008 0.000 1.457 287 H HN 0.352 nan 8.280 nan 0.000 0.568 288 P HA -0.157 nan 4.420 nan 0.000 0.217 288 P C 0.854 178.314 177.300 0.268 0.000 1.151 288 P CA 2.035 65.167 63.100 0.053 0.000 0.849 288 P CB 0.267 31.922 31.700 -0.075 0.000 0.787 289 K N -1.301 119.426 120.400 0.544 0.000 2.418 289 K HA 0.026 4.347 4.320 0.001 0.000 0.195 289 K C 1.713 178.416 176.600 0.173 0.000 1.035 289 K CA 0.390 56.860 56.287 0.306 0.000 1.003 289 K CB -0.225 32.408 32.500 0.222 0.000 0.793 289 K HN 0.030 nan 8.250 nan 0.000 0.494 290 V N 0.495 120.472 119.914 0.104 0.000 2.488 290 V HA -0.140 3.981 4.120 0.001 0.000 0.246 290 V C 1.719 177.867 176.094 0.091 0.000 1.046 290 V CA 1.444 63.742 62.300 -0.003 0.000 1.053 290 V CB -0.354 31.397 31.823 -0.122 0.000 0.679 290 V HN 0.263 nan 8.190 nan 0.000 0.458 291 F N 0.127 120.139 119.950 0.103 0.000 2.134 291 F HA -0.241 4.286 4.527 0.001 0.000 0.299 291 F C 2.696 178.582 175.800 0.142 0.000 1.097 291 F CA 1.320 59.379 58.000 0.098 0.000 1.264 291 F CB -0.128 38.954 39.000 0.137 0.000 1.001 291 F HN 0.182 nan 8.300 nan 0.000 0.479 292 Q N 0.215 120.218 119.800 0.338 0.000 2.084 292 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 292 Q C 2.497 178.634 176.000 0.229 0.000 0.978 292 Q CA 1.412 57.368 55.803 0.255 0.000 0.844 292 Q CB -0.398 28.470 28.738 0.215 0.000 0.898 292 Q HN 0.437 nan 8.270 nan 0.000 0.426 293 A N 0.312 123.253 122.820 0.201 0.000 1.969 293 A HA -0.105 4.216 4.320 0.001 0.000 0.218 293 A C 2.291 180.032 177.584 0.261 0.000 1.169 293 A CA 1.030 53.188 52.037 0.201 0.000 0.635 293 A CB -0.540 18.517 19.000 0.096 0.000 0.810 293 A HN 0.182 nan 8.150 nan 0.000 0.445 294 V N 0.463 120.518 119.914 0.234 0.000 2.221 294 V HA -0.235 3.886 4.120 0.001 0.000 0.240 294 V C 2.262 178.560 176.094 0.339 0.000 1.041 294 V CA 2.281 64.742 62.300 0.268 0.000 0.991 294 V CB -0.792 31.128 31.823 0.162 0.000 0.634 294 V HN 0.500 nan 8.190 nan 0.000 0.450 295 D N 0.215 120.817 120.400 0.335 0.000 2.149 295 D HA -0.222 4.419 4.640 0.001 0.000 0.194 295 D C 2.161 178.597 176.300 0.226 0.000 1.001 295 D CA 1.871 56.042 54.000 0.284 0.000 0.849 295 D CB -0.374 40.574 40.800 0.246 0.000 0.939 295 D HN 0.440 nan 8.370 nan 0.000 0.449 296 A N -0.034 122.924 122.820 0.231 0.000 1.908 296 A HA -0.245 4.075 4.320 0.001 0.000 0.218 296 A C 2.211 179.920 177.584 0.209 0.000 1.181 296 A CA 1.510 53.665 52.037 0.197 0.000 0.627 296 A CB -1.091 18.032 19.000 0.205 0.000 0.818 296 A HN 0.415 nan 8.150 nan 0.000 0.445 297 Y N 0.321 120.722 120.300 0.168 0.000 2.242 297 Y HA -0.175 4.376 4.550 0.001 0.000 0.291 297 Y C 2.574 178.545 175.900 0.118 0.000 1.137 297 Y CA 1.764 59.957 58.100 0.155 0.000 1.181 297 Y CB -0.095 38.530 38.460 0.275 0.000 0.989 297 Y HN 0.271 nan 8.280 nan 0.000 0.527 298 R N 0.263 120.866 120.500 0.172 0.000 2.083 298 R HA -0.193 4.147 4.340 0.001 0.000 0.237 298 R C 2.132 178.418 176.300 -0.023 0.000 1.137 298 R CA 1.865 58.007 56.100 0.070 0.000 0.951 298 R CB -0.481 29.902 30.300 0.139 0.000 0.851 298 R HN 0.463 nan 8.270 nan 0.000 0.434 299 E N 0.609 120.814 120.200 0.007 0.000 2.049 299 E HA -0.259 4.092 4.350 0.001 0.000 0.198 299 E C 2.117 178.673 176.600 -0.072 0.000 1.007 299 E CA 1.186 57.577 56.400 -0.016 0.000 0.809 299 E CB -0.150 29.555 29.700 0.009 0.000 0.749 299 E HN 0.214 nan 8.360 nan 0.000 0.450 300 R N 0.229 120.659 120.500 -0.118 0.000 2.154 300 R HA -0.194 4.147 4.340 0.001 0.000 0.248 300 R C 1.309 177.480 176.300 -0.215 0.000 1.155 300 R CA 1.093 57.081 56.100 -0.186 0.000 0.979 300 R CB -0.017 30.107 30.300 -0.293 0.000 0.869 300 R HN 0.066 nan 8.270 nan 0.000 0.452 301 L N -0.426 120.659 121.223 -0.231 0.000 2.700 301 L HA 0.295 4.636 4.340 0.001 0.000 0.234 301 L C 0.891 177.704 176.870 -0.095 0.000 1.156 301 L CA 0.825 55.559 54.840 -0.176 0.000 0.946 301 L CB 0.682 42.624 42.059 -0.195 0.000 1.216 301 L HN 0.344 nan 8.230 nan 0.000 0.493 302 G N 0.293 109.048 108.800 -0.076 0.000 2.249 302 G HA2 -0.270 3.691 3.960 0.001 0.000 0.273 302 G HA3 -0.270 3.691 3.960 0.001 0.000 0.273 302 G C 0.070 174.950 174.900 -0.035 0.000 1.036 302 G CA 0.248 45.319 45.100 -0.048 0.000 0.824 302 G HN 0.276 nan 8.290 nan 0.000 0.504 303 L N 0.877 122.085 121.223 -0.026 0.000 2.334 303 L HA 0.526 4.867 4.340 0.001 0.000 0.276 303 L C -1.479 175.391 176.870 -0.001 0.000 1.014 303 L CA -2.452 52.380 54.840 -0.013 0.000 0.815 303 L CB 1.946 44.004 42.059 -0.000 0.000 1.268 303 L HN -0.032 nan 8.230 nan 0.000 0.428 304 P HA 0.135 nan 4.420 nan 0.000 0.269 304 P C -2.614 174.686 177.300 0.000 0.000 1.209 304 P CA -1.058 62.037 63.100 -0.009 0.000 0.776 304 P CB -0.073 31.613 31.700 -0.024 0.000 0.876 305 P HA 0.093 nan 4.420 nan 0.000 0.269 305 P C -0.198 177.071 177.300 -0.052 0.000 1.215 305 P CA -0.006 63.109 63.100 0.025 0.000 0.780 305 P CB 0.695 32.419 31.700 0.040 0.000 0.898 306 A N 1.446 124.193 122.820 -0.122 0.000 2.425 306 A HA 0.179 4.500 4.320 0.001 0.000 0.201 306 A C 0.354 177.587 177.584 -0.586 0.000 1.431 306 A CA -0.023 51.789 52.037 -0.374 0.000 1.066 306 A CB -0.138 18.547 19.000 -0.524 0.000 1.318 306 A HN 0.469 nan 8.150 nan 0.000 0.534 307 Y N -0.178 120.078 120.300 -0.072 0.000 2.833 307 Y HA 0.399 4.950 4.550 0.001 0.000 0.339 307 Y C 1.633 177.390 175.900 -0.239 0.000 1.032 307 Y CA -0.224 57.727 58.100 -0.249 0.000 1.450 307 Y CB 0.242 38.524 38.460 -0.296 0.000 1.296 307 Y HN 0.266 nan 8.280 nan 0.000 0.535 308 R N 0.328 120.788 120.500 -0.067 0.000 2.105 308 R HA 0.160 4.501 4.340 0.001 0.000 0.214 308 R C 1.984 178.260 176.300 -0.040 0.000 1.091 308 R CA 1.070 57.161 56.100 -0.015 0.000 1.007 308 R CB -0.175 30.125 30.300 0.001 0.000 0.912 308 R HN 0.410 nan 8.270 nan 0.000 0.450 309 G N 0.209 108.962 108.800 -0.079 0.000 3.434 309 G HA2 0.267 4.228 3.960 0.001 0.000 0.258 309 G HA3 0.267 4.228 3.960 0.001 0.000 0.258 309 G C -0.251 174.600 174.900 -0.083 0.000 1.128 309 G CA 0.238 45.302 45.100 -0.059 0.000 0.792 309 G HN 0.164 nan 8.290 nan 0.000 0.539 310 V N -2.165 117.656 119.914 -0.155 0.000 3.166 310 V HA 0.984 5.105 4.120 0.001 0.000 0.317 310 V C -0.019 175.990 176.094 -0.140 0.000 1.136 310 V CA -0.199 62.000 62.300 -0.168 0.000 1.035 310 V CB 1.436 33.118 31.823 -0.235 0.000 1.110 310 V HN 0.219 nan 8.190 nan 0.000 0.450 311 T N -2.220 112.330 114.554 -0.007 0.000 2.804 311 T HA 0.975 5.326 4.350 0.001 0.000 0.290 311 T C -0.074 174.777 174.700 0.252 0.000 1.099 311 T CA -0.374 61.877 62.100 0.252 0.000 1.011 311 T CB 1.439 70.424 68.868 0.194 0.000 1.291 311 T HN 2.288 nan 8.240 nan 0.000 0.523 312 G N 0.109 109.112 108.800 0.338 0.000 2.377 312 G HA2 0.509 4.469 3.960 0.001 0.000 0.297 312 G HA3 0.509 4.469 3.960 0.001 0.000 0.297 312 G C -1.700 173.316 174.900 0.192 0.000 1.547 312 G CA -0.782 44.420 45.100 0.169 0.000 0.833 312 G HN 1.154 nan 8.290 nan 0.000 0.583 313 F N -0.171 119.846 119.950 0.111 0.000 2.538 313 F HA 0.966 5.493 4.527 0.001 0.000 0.325 313 F C 0.007 175.855 175.800 0.080 0.000 1.066 313 F CA -1.435 56.635 58.000 0.115 0.000 0.946 313 F CB 1.875 40.974 39.000 0.165 0.000 1.199 313 F HN 0.984 nan 8.300 nan 0.000 0.473 314 A N 2.577 125.633 122.820 0.393 0.000 2.469 314 A HA 0.946 5.267 4.320 0.001 0.000 0.299 314 A C -1.709 176.046 177.584 0.285 0.000 1.098 314 A CA -0.645 51.495 52.037 0.171 0.000 0.737 314 A CB 1.530 20.560 19.000 0.049 0.000 1.312 314 A HN 1.335 nan 8.150 nan 0.000 0.414 315 F N -1.551 118.501 119.950 0.170 0.000 2.678 315 F HA 0.810 5.338 4.527 0.001 0.000 0.308 315 F C -0.294 175.569 175.800 0.105 0.000 1.118 315 F CA -0.893 57.195 58.000 0.147 0.000 0.959 315 F CB 1.204 40.263 39.000 0.099 0.000 1.305 315 F HN 1.043 nan 8.300 nan 0.000 0.443 316 G N 2.269 111.356 108.800 0.478 0.000 2.741 316 G HA2 0.663 4.623 3.960 0.001 0.000 0.293 316 G HA3 0.663 4.623 3.960 0.001 0.000 0.293 316 G C -2.153 172.958 174.900 0.352 0.000 1.457 316 G CA -0.902 44.387 45.100 0.316 0.000 1.098 316 G HN 0.973 nan 8.290 nan 0.000 0.536 317 L N 0.634 122.051 121.223 0.323 0.000 2.323 317 L HA 0.985 5.326 4.340 0.001 0.000 0.265 317 L C 0.484 177.446 176.870 0.154 0.000 1.012 317 L CA -1.564 53.405 54.840 0.216 0.000 0.820 317 L CB 1.456 43.670 42.059 0.259 0.000 1.334 317 L HN 0.539 nan 8.230 nan 0.000 0.427 318 G N 0.304 109.156 108.800 0.085 0.000 2.338 318 G HA2 0.473 4.434 3.960 0.001 0.000 0.295 318 G HA3 0.473 4.434 3.960 0.001 0.000 0.295 318 G C 0.652 175.590 174.900 0.064 0.000 1.132 318 G CA -0.379 44.766 45.100 0.075 0.000 0.922 318 G HN 0.604 nan 8.290 nan 0.000 0.427 319 V N 3.172 123.137 119.914 0.085 0.000 2.223 319 V HA -0.167 3.954 4.120 0.001 0.000 0.244 319 V C 2.660 178.730 176.094 -0.041 0.000 1.045 319 V CA 2.186 64.502 62.300 0.026 0.000 1.000 319 V CB -0.766 31.054 31.823 -0.005 0.000 0.635 319 V HN 0.707 nan 8.190 nan 0.000 0.445 320 E N 0.160 120.301 120.200 -0.097 0.000 2.065 320 E HA -0.260 4.091 4.350 0.001 0.000 0.201 320 E C 2.393 178.990 176.600 -0.005 0.000 1.016 320 E CA 1.816 58.081 56.400 -0.226 0.000 0.818 320 E CB -0.338 29.257 29.700 -0.176 0.000 0.749 320 E HN 0.442 nan 8.360 nan 0.000 0.453 321 R N -0.179 120.325 120.500 0.006 0.000 2.105 321 R HA -0.134 4.207 4.340 0.001 0.000 0.239 321 R C 2.261 178.579 176.300 0.030 0.000 1.135 321 R CA 0.937 57.047 56.100 0.017 0.000 0.967 321 R CB -0.398 29.872 30.300 -0.050 0.000 0.861 321 R HN 0.177 nan 8.270 nan 0.000 0.442 322 L N 0.765 122.006 121.223 0.029 0.000 2.027 322 L HA -0.073 4.267 4.340 0.001 0.000 0.206 322 L C 2.255 179.178 176.870 0.087 0.000 1.074 322 L CA 1.974 56.841 54.840 0.046 0.000 0.745 322 L CB -1.354 40.743 42.059 0.063 0.000 0.898 322 L HN 0.135 nan 8.230 nan 0.000 0.433 323 A N -0.104 122.790 122.820 0.124 0.000 1.859 323 A HA -0.313 4.008 4.320 0.001 0.000 0.217 323 A C 2.310 180.134 177.584 0.400 0.000 1.198 323 A CA 2.427 54.636 52.037 0.286 0.000 0.629 323 A CB -0.623 18.408 19.000 0.052 0.000 0.830 323 A HN 0.479 nan 8.150 nan 0.000 0.446 324 M N -0.689 119.128 119.600 0.361 0.000 2.226 324 M HA -0.229 4.252 4.480 0.001 0.000 0.257 324 M C 2.276 178.673 176.300 0.160 0.000 1.070 324 M CA 2.264 57.759 55.300 0.325 0.000 1.087 324 M CB -0.538 32.219 32.600 0.263 0.000 1.278 324 M HN 0.580 nan 8.290 nan 0.000 0.426 325 L N 0.005 121.247 121.223 0.032 0.000 2.079 325 L HA -0.218 4.123 4.340 0.001 0.000 0.210 325 L C 2.187 178.948 176.870 -0.182 0.000 1.081 325 L CA 2.047 56.792 54.840 -0.158 0.000 0.752 325 L CB -0.987 40.904 42.059 -0.280 0.000 0.896 325 L HN 0.263 nan 8.230 nan 0.000 0.433 326 R N -0.985 119.472 120.500 -0.071 0.000 2.115 326 R HA -0.122 4.219 4.340 0.001 0.000 0.226 326 R C 1.497 177.654 176.300 -0.237 0.000 1.100 326 R CA 1.636 57.624 56.100 -0.187 0.000 0.980 326 R CB -0.276 29.915 30.300 -0.183 0.000 0.875 326 R HN 0.522 nan 8.270 nan 0.000 0.445 327 Y N -1.930 118.401 120.300 0.051 0.000 2.481 327 Y HA 0.351 4.902 4.550 0.001 0.000 0.247 327 Y C 1.270 177.232 175.900 0.103 0.000 1.151 327 Y CA 0.100 58.279 58.100 0.131 0.000 1.238 327 Y CB 1.031 39.686 38.460 0.325 0.000 1.179 327 Y HN 0.206 nan 8.280 nan 0.000 0.524 328 G N 0.981 109.891 108.800 0.182 0.000 2.148 328 G HA2 -0.311 3.650 3.960 0.001 0.000 0.254 328 G HA3 -0.311 3.650 3.960 0.001 0.000 0.254 328 G C -0.202 174.761 174.900 0.105 0.000 0.981 328 G CA 0.057 45.221 45.100 0.107 0.000 0.670 328 G HN 0.209 nan 8.290 nan 0.000 0.528 329 I N 2.235 122.906 120.570 0.167 0.000 2.421 329 I HA 0.217 4.388 4.170 0.001 0.000 0.291 329 I C 0.219 176.343 176.117 0.012 0.000 1.089 329 I CA -1.833 59.500 61.300 0.055 0.000 1.354 329 I CB 0.677 38.707 38.000 0.051 0.000 1.413 329 I HN -0.011 nan 8.210 nan 0.000 0.513 330 P HA -0.197 nan 4.420 nan 0.000 0.215 330 P C 0.209 177.561 177.300 0.087 0.000 1.157 330 P CA 1.436 64.550 63.100 0.024 0.000 0.874 330 P CB 0.416 32.121 31.700 0.008 0.000 0.790 331 D N -0.903 119.579 120.400 0.137 0.000 2.362 331 D HA 0.127 4.768 4.640 0.001 0.000 0.247 331 D C 0.790 177.235 176.300 0.241 0.000 1.050 331 D CA -0.679 53.472 54.000 0.252 0.000 0.839 331 D CB 2.146 43.153 40.800 0.345 0.000 1.283 331 D HN -0.115 nan 8.370 nan 0.000 0.477 332 I N 3.496 124.197 120.570 0.219 0.000 2.830 332 I HA -0.107 4.064 4.170 0.001 0.000 0.263 332 I C 1.609 177.918 176.117 0.320 0.000 1.230 332 I CA 0.547 62.049 61.300 0.337 0.000 1.480 332 I CB 0.125 38.315 38.000 0.316 0.000 1.095 332 I HN 0.294 nan 8.210 nan 0.000 0.455 333 R N -0.672 119.914 120.500 0.143 0.000 2.323 333 R HA -0.055 4.285 4.340 0.001 0.000 0.198 333 R C 1.378 177.624 176.300 -0.090 0.000 0.988 333 R CA 0.475 56.613 56.100 0.063 0.000 1.041 333 R CB -0.082 30.193 30.300 -0.041 0.000 0.926 333 R HN 0.423 nan 8.270 nan 0.000 0.476 334 Y N -0.716 119.404 120.300 -0.300 0.000 2.243 334 Y HA -0.077 4.474 4.550 0.001 0.000 0.293 334 Y C 1.592 177.258 175.900 -0.390 0.000 1.124 334 Y CA 1.098 58.779 58.100 -0.698 0.000 1.159 334 Y CB -0.153 37.402 38.460 -1.509 0.000 1.008 334 Y HN -0.066 nan 8.280 nan 0.000 0.527 335 F N -1.217 118.910 119.950 0.295 0.000 2.043 335 F HA -0.296 4.232 4.527 0.001 0.000 0.297 335 F C 1.817 177.800 175.800 0.305 0.000 1.121 335 F CA 1.499 59.745 58.000 0.410 0.000 1.199 335 F CB -1.054 38.171 39.000 0.374 0.000 0.968 335 F HN -0.077 nan 8.300 nan 0.000 0.478 336 F N 0.480 120.705 119.950 0.457 0.000 2.811 336 F HA 0.137 4.665 4.527 0.001 0.000 0.301 336 F C 2.163 178.066 175.800 0.172 0.000 1.151 336 F CA 0.330 58.504 58.000 0.291 0.000 1.412 336 F CB -0.790 38.337 39.000 0.211 0.000 1.113 336 F HN -0.053 nan 8.300 nan 0.000 0.579 337 G N 0.034 108.975 108.800 0.235 0.000 2.511 337 G HA2 0.078 4.038 3.960 0.001 0.000 0.216 337 G HA3 0.078 4.038 3.960 0.001 0.000 0.216 337 G C 1.695 176.669 174.900 0.123 0.000 1.218 337 G CA 1.070 46.225 45.100 0.092 0.000 0.788 337 G HN 0.555 nan 8.290 nan 0.000 0.560 338 G N -1.403 107.491 108.800 0.156 0.000 2.229 338 G HA2 -0.200 3.761 3.960 0.001 0.000 0.189 338 G HA3 -0.200 3.761 3.960 0.001 0.000 0.189 338 G C 0.473 175.457 174.900 0.140 0.000 1.000 338 G CA 0.423 45.609 45.100 0.143 0.000 0.663 338 G HN 0.667 nan 8.290 nan 0.000 0.493 339 R N 1.167 121.764 120.500 0.162 0.000 2.399 339 R HA 0.455 4.796 4.340 0.001 0.000 0.324 339 R C 1.779 178.202 176.300 0.204 0.000 1.030 339 R CA -0.294 55.908 56.100 0.171 0.000 0.984 339 R CB -0.028 30.375 30.300 0.173 0.000 0.961 339 R HN 0.276 nan 8.270 nan 0.000 0.433 340 L N 4.157 125.460 121.223 0.134 0.000 2.127 340 L HA -0.236 4.105 4.340 0.001 0.000 0.211 340 L C 1.944 178.879 176.870 0.108 0.000 1.089 340 L CA 1.321 56.225 54.840 0.106 0.000 0.757 340 L CB -0.216 41.892 42.059 0.081 0.000 0.899 340 L HN 0.605 nan 8.230 nan 0.000 0.434 341 K N -0.801 119.675 120.400 0.126 0.000 2.211 341 K HA -0.136 4.185 4.320 0.001 0.000 0.203 341 K C 1.951 178.644 176.600 0.154 0.000 1.050 341 K CA 1.168 57.521 56.287 0.110 0.000 0.945 341 K CB -0.265 32.297 32.500 0.103 0.000 0.732 341 K HN 0.228 nan 8.250 nan 0.000 0.451 342 F N 1.734 121.718 119.950 0.055 0.000 2.123 342 F HA 0.001 4.529 4.527 0.001 0.000 0.289 342 F C 1.933 177.825 175.800 0.153 0.000 1.099 342 F CA 0.704 58.752 58.000 0.079 0.000 1.234 342 F CB -0.531 38.550 39.000 0.135 0.000 1.034 342 F HN -0.206 nan 8.300 nan 0.000 0.479 343 L N 0.506 121.729 121.223 -0.000 0.000 1.933 343 L HA -0.277 4.064 4.340 0.001 0.000 0.220 343 L C 2.384 179.259 176.870 0.010 0.000 1.078 343 L CA 2.145 56.921 54.840 -0.106 0.000 0.773 343 L CB -1.202 40.824 42.059 -0.056 0.000 0.890 343 L HN 0.142 nan 8.230 nan 0.000 0.434 344 E N -0.366 119.835 120.200 0.002 0.000 2.355 344 E HA -0.323 4.028 4.350 0.001 0.000 0.209 344 E C 2.203 178.755 176.600 -0.079 0.000 1.050 344 E CA 1.233 57.626 56.400 -0.011 0.000 0.843 344 E CB -0.114 29.587 29.700 0.002 0.000 0.742 344 E HN 0.470 nan 8.360 nan 0.000 0.489 345 Q N -0.802 118.880 119.800 -0.196 0.000 2.181 345 Q HA -0.170 4.171 4.340 0.001 0.000 0.205 345 Q C 1.459 177.141 176.000 -0.530 0.000 0.980 345 Q CA 1.150 56.692 55.803 -0.435 0.000 0.862 345 Q CB -0.073 28.227 28.738 -0.731 0.000 0.905 345 Q HN 0.411 nan 8.270 nan 0.000 0.429 346 F N 0.692 120.524 119.950 -0.196 0.000 2.732 346 F HA 0.132 4.660 4.527 0.001 0.000 0.303 346 F C 0.430 176.180 175.800 -0.083 0.000 1.110 346 F CA 0.031 57.949 58.000 -0.137 0.000 1.355 346 F CB 0.072 38.936 39.000 -0.227 0.000 1.081 346 F HN -0.291 nan 8.300 nan 0.000 0.565 347 K N 1.183 121.609 120.400 0.044 0.000 2.245 347 K HA 0.365 4.686 4.320 0.001 0.000 0.281 347 K C 0.989 177.601 176.600 0.020 0.000 1.079 347 K CA 0.637 56.942 56.287 0.031 0.000 1.000 347 K CB -0.294 32.212 32.500 0.011 0.000 1.038 347 K HN 0.408 nan 8.250 nan 0.000 0.430 348 G N 1.067 109.890 108.800 0.038 0.000 2.370 348 G HA2 -0.206 3.755 3.960 0.001 0.000 0.174 348 G HA3 -0.206 3.755 3.960 0.001 0.000 0.174 348 G C 0.388 175.312 174.900 0.040 0.000 1.002 348 G CA -0.644 44.471 45.100 0.026 0.000 0.730 348 G HN 0.364 nan 8.290 nan 0.000 0.497 349 V N 2.235 122.200 119.914 0.084 0.000 3.377 349 V HA 0.370 4.491 4.120 0.001 0.000 0.290 349 V C 0.804 176.937 176.094 0.065 0.000 1.188 349 V CA 1.249 63.614 62.300 0.109 0.000 1.265 349 V CB -0.977 31.002 31.823 0.260 0.000 1.011 349 V HN 0.544 nan 8.190 nan 0.000 0.440 350 L N 0.000 121.244 121.223 0.035 0.000 2.949 350 L HA 0.000 4.341 4.340 0.001 0.000 0.249 350 L CA 0.000 54.851 54.840 0.019 0.000 0.813 350 L CB 0.000 42.071 42.059 0.020 0.000 0.961 350 L HN 0.000 nan 8.230 nan 0.000 0.502