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 2q06_1_A DATA FIRST_RESID 22 DATA SEQUENCE ATEIRASVGR MVGGIGRFYI QMCTELKLSD QEGRLIQNSI TIERMVLSAF DATA SEQUENCE DERRNRYXXX XXXXXKDPKK TGGPIYRRRD GKWVRELILY DKEEIRRIWR DATA SEQUENCE QANNGEDATA GLTHMMIWHS NLNDATYQRT RALVRTGMDP RMCSLMQGST DATA SEQUENCE LPRRSGAAGA AIKGVGTMVM ELIRMIKRGI NDRNFWRGEN GRRTRIAYER DATA SEQUENCE MCNILKGKFQ TAAQKAMMDQ VRESRNPGNA EIEDLIFLAR SALILRGSIA DATA SEQUENCE HKSCLPACVY GLAVASGYDF EREGYSLVGI DPFRLLQNSQ VFSLIRPNEN DATA SEQUENCE PAHKSQLVWM ACHSAAFEDL RVSSFIRGTR VIPRGQLSTR GVQIASNENV DATA SEQUENCE EAMDSSTLEL RSRYWAIRTR SGGNTNQQRA SAGQISVQPT FSVQRNLPFE DATA SEQUENCE RATIMAAFKG NTEGRTSDMR TEIIRMMESA RPEDVSFQGR GVFELSDEKA DATA SEQUENCE TNPIVPSFDM SNEGSYFFGD NAEEY 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.593 177.584 0.015 0.000 1.274 22 A CA 0.000 52.045 52.037 0.014 0.000 0.836 22 A CB 0.000 19.006 19.000 0.010 0.000 0.831 23 T N 0.950 115.511 114.554 0.011 0.000 3.129 23 T HA 0.088 4.439 4.350 0.002 0.000 0.251 23 T C 1.409 176.115 174.700 0.009 0.000 1.117 23 T CA 0.946 63.053 62.100 0.011 0.000 1.034 23 T CB 0.063 68.934 68.868 0.006 0.000 0.968 23 T HN 0.573 nan 8.240 nan 0.000 0.526 24 E N 1.448 121.652 120.200 0.008 0.000 2.058 24 E HA -0.174 4.177 4.350 0.002 0.000 0.194 24 E C 1.934 178.539 176.600 0.009 0.000 0.997 24 E CA 1.186 57.590 56.400 0.005 0.000 0.801 24 E CB -0.201 29.502 29.700 0.004 0.000 0.746 24 E HN 0.379 nan 8.360 nan 0.000 0.450 25 I N 0.911 121.489 120.570 0.015 0.000 2.530 25 I HA -0.216 3.955 4.170 0.002 0.000 0.257 25 I C 2.641 178.774 176.117 0.027 0.000 1.179 25 I CA 1.087 62.399 61.300 0.020 0.000 1.440 25 I CB -0.125 37.890 38.000 0.026 0.000 1.087 25 I HN 0.059 nan 8.210 nan 0.000 0.440 26 R N -0.459 120.058 120.500 0.028 0.000 2.206 26 R HA 0.144 4.485 4.340 0.002 0.000 0.198 26 R C 2.075 178.403 176.300 0.046 0.000 0.986 26 R CA 0.868 56.993 56.100 0.042 0.000 1.029 26 R CB -0.012 30.308 30.300 0.035 0.000 0.966 26 R HN 0.291 nan 8.270 nan 0.000 0.487 27 A N 0.151 122.985 122.820 0.023 0.000 2.123 27 A HA -0.018 4.303 4.320 0.002 0.000 0.214 27 A C 1.773 179.356 177.584 -0.002 0.000 1.152 27 A CA 1.055 53.100 52.037 0.013 0.000 0.728 27 A CB 0.003 19.002 19.000 -0.001 0.000 0.814 27 A HN 0.446 nan 8.150 nan 0.000 0.464 28 S N -1.276 114.421 115.700 -0.006 0.000 2.503 28 S HA 0.077 4.548 4.470 0.002 0.000 0.217 28 S C 1.486 176.063 174.600 -0.039 0.000 0.999 28 S CA 0.763 58.947 58.200 -0.026 0.000 0.914 28 S CB -0.041 63.147 63.200 -0.020 0.000 0.782 28 S HN 0.139 nan 8.310 nan 0.000 0.520 29 V N 2.312 122.220 119.914 -0.010 0.000 2.407 29 V HA 0.060 4.181 4.120 0.002 0.000 0.245 29 V C 2.753 178.802 176.094 -0.074 0.000 1.041 29 V CA 1.906 64.195 62.300 -0.018 0.000 1.040 29 V CB -1.250 30.608 31.823 0.059 0.000 0.671 29 V HN 0.615 nan 8.190 nan 0.000 0.455 30 G N -0.614 108.190 108.800 0.008 0.000 2.422 30 G HA2 -0.247 3.714 3.960 0.002 0.000 0.218 30 G HA3 -0.247 3.714 3.960 0.002 0.000 0.218 30 G C 1.690 176.513 174.900 -0.129 0.000 1.140 30 G CA 0.652 45.744 45.100 -0.013 0.000 0.775 30 G HN 0.324 nan 8.290 nan 0.000 0.545 31 R N 0.352 120.792 120.500 -0.099 0.000 2.112 31 R HA -0.203 4.138 4.340 0.002 0.000 0.242 31 R C 2.573 178.741 176.300 -0.220 0.000 1.137 31 R CA 2.302 58.326 56.100 -0.128 0.000 0.944 31 R CB -0.317 29.921 30.300 -0.103 0.000 0.857 31 R HN 0.547 nan 8.270 nan 0.000 0.435 32 M N -1.377 118.073 119.600 -0.250 0.000 2.419 32 M HA 0.018 4.499 4.480 0.002 0.000 0.264 32 M C 1.806 177.818 176.300 -0.481 0.000 1.082 32 M CA 1.317 56.429 55.300 -0.314 0.000 1.119 32 M CB -0.196 32.265 32.600 -0.232 0.000 1.398 32 M HN -0.103 nan 8.290 nan 0.000 0.453 33 V N 1.171 120.693 119.914 -0.653 0.000 2.346 33 V HA -0.004 4.117 4.120 0.002 0.000 0.244 33 V C 2.587 178.100 176.094 -0.969 0.000 1.037 33 V CA 2.130 63.777 62.300 -1.090 0.000 1.029 33 V CB -1.121 29.763 31.823 -1.565 0.000 0.663 33 V HN 0.681 nan 8.190 nan 0.000 0.454 34 G N -0.167 108.189 108.800 -0.740 0.000 2.469 34 G HA2 -0.232 3.729 3.960 0.002 0.000 0.220 34 G HA3 -0.232 3.729 3.960 0.002 0.000 0.220 34 G C 1.609 176.346 174.900 -0.272 0.000 1.136 34 G CA 1.090 45.964 45.100 -0.378 0.000 0.759 34 G HN 0.606 nan 8.290 nan 0.000 0.562 35 G N 1.649 110.247 108.800 -0.336 0.000 2.553 35 G HA2 -0.295 3.666 3.960 0.002 0.000 0.218 35 G HA3 -0.295 3.666 3.960 0.002 0.000 0.218 35 G C 1.675 176.438 174.900 -0.229 0.000 1.195 35 G CA 1.241 46.125 45.100 -0.359 0.000 0.779 35 G HN 0.350 nan 8.290 nan 0.000 0.577 36 I N 1.817 122.267 120.570 -0.200 0.000 2.127 36 I HA -0.146 4.025 4.170 0.002 0.000 0.241 36 I C 3.093 179.310 176.117 0.167 0.000 1.075 36 I CA 1.590 62.922 61.300 0.054 0.000 1.334 36 I CB -1.881 36.049 38.000 -0.117 0.000 1.040 36 I HN 0.255 nan 8.210 nan 0.000 0.405 37 G N 0.904 109.709 108.800 0.008 0.000 2.545 37 G HA2 -0.291 3.670 3.960 0.002 0.000 0.217 37 G HA3 -0.291 3.670 3.960 0.002 0.000 0.217 37 G C 1.902 176.920 174.900 0.197 0.000 1.218 37 G CA 0.999 46.179 45.100 0.134 0.000 0.787 37 G HN 0.291 nan 8.290 nan 0.000 0.571 38 R N -0.703 119.872 120.500 0.125 0.000 2.122 38 R HA -0.155 4.186 4.340 0.002 0.000 0.236 38 R C 2.301 178.697 176.300 0.159 0.000 1.129 38 R CA 1.830 57.996 56.100 0.111 0.000 0.925 38 R CB -0.854 29.476 30.300 0.049 0.000 0.850 38 R HN 0.365 nan 8.270 nan 0.000 0.431 39 F N 0.510 120.503 119.950 0.073 0.000 2.037 39 F HA -0.416 4.110 4.527 -0.001 0.000 0.296 39 F C 2.222 178.124 175.800 0.170 0.000 1.132 39 F CA 2.183 60.276 58.000 0.154 0.000 1.211 39 F CB -1.024 38.168 39.000 0.319 0.000 0.951 39 F HN 0.103 nan 8.300 nan 0.000 0.503 40 Y N 0.841 121.268 120.300 0.213 0.000 2.062 40 Y HA -0.330 4.222 4.550 0.004 0.000 0.276 40 Y C 2.387 178.252 175.900 -0.058 0.000 1.189 40 Y CA 2.343 60.483 58.100 0.066 0.000 1.130 40 Y CB -0.771 37.789 38.460 0.168 0.000 0.959 40 Y HN 0.251 nan 8.280 nan 0.000 0.499 41 I N -0.438 120.161 120.570 0.049 0.000 2.127 41 I HA -0.355 3.816 4.170 0.002 0.000 0.241 41 I C 2.441 178.472 176.117 -0.144 0.000 1.075 41 I CA 1.846 63.121 61.300 -0.041 0.000 1.334 41 I CB -0.569 37.468 38.000 0.062 0.000 1.040 41 I HN 0.265 nan 8.210 nan 0.000 0.405 42 Q N 0.496 120.216 119.800 -0.133 0.000 2.112 42 Q HA -0.256 4.085 4.340 0.002 0.000 0.206 42 Q C 2.048 177.896 176.000 -0.254 0.000 0.987 42 Q CA 1.958 57.667 55.803 -0.158 0.000 0.858 42 Q CB -0.358 28.303 28.738 -0.129 0.000 0.905 42 Q HN 0.341 nan 8.270 nan 0.000 0.420 43 M N -1.365 117.977 119.600 -0.429 0.000 2.229 43 M HA -0.125 4.356 4.480 0.002 0.000 0.264 43 M C 1.957 178.054 176.300 -0.338 0.000 1.063 43 M CA 1.209 56.223 55.300 -0.476 0.000 1.114 43 M CB -0.353 31.839 32.600 -0.680 0.000 1.387 43 M HN 0.301 nan 8.290 nan 0.000 0.420 44 C N -0.080 119.002 119.300 -0.363 0.000 2.432 44 C HA -0.079 4.382 4.460 0.002 0.000 0.282 44 C C 2.579 177.482 174.990 -0.146 0.000 1.388 44 C CA 1.630 60.469 59.018 -0.299 0.000 1.777 44 C CB -1.539 25.994 27.740 -0.345 0.000 1.882 44 C HN 0.726 nan 8.230 nan 0.000 0.520 45 T N -2.300 112.183 114.554 -0.119 0.000 3.051 45 T HA 0.005 4.356 4.350 0.002 0.000 0.255 45 T C 1.435 176.115 174.700 -0.034 0.000 1.085 45 T CA 0.610 62.675 62.100 -0.058 0.000 1.109 45 T CB -0.267 68.575 68.868 -0.043 0.000 0.921 45 T HN 0.404 nan 8.240 nan 0.000 0.488 46 E N 1.375 121.542 120.200 -0.054 0.000 2.333 46 E HA 0.025 4.376 4.350 0.002 0.000 0.198 46 E C 1.351 177.999 176.600 0.080 0.000 1.007 46 E CA 0.730 57.136 56.400 0.011 0.000 0.845 46 E CB -0.109 29.562 29.700 -0.050 0.000 0.766 46 E HN 0.586 nan 8.360 nan 0.000 0.507 47 L N -0.851 120.390 121.223 0.030 0.000 2.858 47 L HA 0.214 4.555 4.340 0.002 0.000 0.251 47 L C 0.703 177.594 176.870 0.036 0.000 1.149 47 L CA -0.188 54.689 54.840 0.062 0.000 0.955 47 L CB 0.243 42.333 42.059 0.052 0.000 1.289 47 L HN -0.161 nan 8.230 nan 0.000 0.542 48 K N 0.533 120.942 120.400 0.015 0.000 3.013 48 K HA -0.210 4.111 4.320 0.002 0.000 0.275 48 K C 0.104 176.715 176.600 0.019 0.000 1.086 48 K CA 0.507 56.800 56.287 0.011 0.000 0.814 48 K CB -1.368 31.141 32.500 0.015 0.000 1.212 48 K HN 0.267 nan 8.250 nan 0.000 0.468 49 L N 1.369 122.606 121.223 0.024 0.000 2.693 49 L HA -0.124 4.217 4.340 0.002 0.000 0.292 49 L C 1.121 178.024 176.870 0.055 0.000 1.243 49 L CA 0.318 55.189 54.840 0.052 0.000 0.903 49 L CB 0.244 42.334 42.059 0.052 0.000 1.160 49 L HN 0.206 nan 8.230 nan 0.000 0.496 50 S N 1.821 117.564 115.700 0.070 0.000 2.559 50 S HA -0.111 4.361 4.470 0.002 0.000 0.282 50 S C 1.126 175.783 174.600 0.095 0.000 1.336 50 S CA 0.018 58.256 58.200 0.065 0.000 1.037 50 S CB 0.732 63.961 63.200 0.048 0.000 0.853 50 S HN 0.808 nan 8.310 nan 0.000 0.523 51 D N 1.901 122.351 120.400 0.083 0.000 2.160 51 D HA -0.269 4.373 4.640 0.002 0.000 0.189 51 D C 1.792 178.200 176.300 0.180 0.000 1.003 51 D CA 2.360 56.425 54.000 0.108 0.000 0.846 51 D CB -0.481 40.373 40.800 0.089 0.000 0.949 51 D HN 0.740 nan 8.370 nan 0.000 0.446 52 Q N -0.355 119.564 119.800 0.198 0.000 2.234 52 Q HA -0.193 4.148 4.340 0.002 0.000 0.206 52 Q C 1.818 178.075 176.000 0.428 0.000 0.980 52 Q CA 1.456 57.458 55.803 0.332 0.000 0.869 52 Q CB -0.053 28.784 28.738 0.164 0.000 0.912 52 Q HN 0.553 nan 8.270 nan 0.000 0.436 53 E N -1.467 118.922 120.200 0.314 0.000 2.371 53 E HA -0.022 4.329 4.350 0.002 0.000 0.194 53 E C 1.639 178.430 176.600 0.318 0.000 1.012 53 E CA 0.474 57.101 56.400 0.378 0.000 0.860 53 E CB 0.121 30.000 29.700 0.299 0.000 0.811 53 E HN 0.446 nan 8.360 nan 0.000 0.502 54 G N 1.062 110.010 108.800 0.246 0.000 2.572 54 G HA2 -0.197 3.764 3.960 0.002 0.000 0.216 54 G HA3 -0.197 3.764 3.960 0.002 0.000 0.216 54 G C 1.492 176.575 174.900 0.304 0.000 1.133 54 G CA 0.012 45.248 45.100 0.228 0.000 0.791 54 G HN 0.084 nan 8.290 nan 0.000 0.538 55 R N -1.026 119.620 120.500 0.242 0.000 2.210 55 R HA 0.207 4.548 4.340 0.002 0.000 0.203 55 R C 0.440 176.785 176.300 0.074 0.000 1.010 55 R CA -0.471 55.668 56.100 0.065 0.000 1.008 55 R CB -0.104 30.081 30.300 -0.192 0.000 0.923 55 R HN 0.291 nan 8.270 nan 0.000 0.469 56 L N 1.948 123.327 121.223 0.260 0.000 2.534 56 L HA -0.009 4.332 4.340 0.002 0.000 0.271 56 L C 1.256 178.194 176.870 0.114 0.000 1.178 56 L CA 0.261 55.223 54.840 0.203 0.000 0.907 56 L CB 0.463 42.635 42.059 0.188 0.000 1.164 56 L HN 0.012 nan 8.230 nan 0.000 0.482 57 I N 3.464 124.062 120.570 0.047 0.000 2.118 57 I HA -0.325 3.846 4.170 0.002 0.000 0.241 57 I C 2.132 178.321 176.117 0.120 0.000 1.070 57 I CA 1.862 63.195 61.300 0.054 0.000 1.327 57 I CB -0.210 37.820 38.000 0.049 0.000 1.034 57 I HN 0.920 nan 8.210 nan 0.000 0.405 58 Q N -0.097 119.740 119.800 0.062 0.000 2.135 58 Q HA -0.221 4.121 4.340 0.002 0.000 0.204 58 Q C 1.838 178.015 176.000 0.295 0.000 0.981 58 Q CA 1.665 57.535 55.803 0.113 0.000 0.856 58 Q CB -1.118 27.529 28.738 -0.152 0.000 0.902 58 Q HN 0.577 nan 8.270 nan 0.000 0.425 59 N N 0.763 119.649 118.700 0.310 0.000 2.244 59 N HA -0.074 4.667 4.740 0.002 0.000 0.183 59 N C 1.811 177.513 175.510 0.321 0.000 1.016 59 N CA 1.117 54.379 53.050 0.352 0.000 0.866 59 N CB -0.081 38.612 38.487 0.343 0.000 0.980 59 N HN 0.233 nan 8.380 nan 0.000 0.430 60 S N 0.712 116.596 115.700 0.307 0.000 2.355 60 S HA 0.060 4.531 4.470 0.002 0.000 0.222 60 S C 2.039 176.831 174.600 0.321 0.000 1.031 60 S CA 0.521 58.918 58.200 0.328 0.000 0.993 60 S CB -0.121 63.139 63.200 0.100 0.000 0.859 60 S HN 0.193 nan 8.310 nan 0.000 0.453 61 I N 0.959 121.728 120.570 0.333 0.000 2.208 61 I HA -0.178 3.993 4.170 0.002 0.000 0.245 61 I C 2.626 178.930 176.117 0.312 0.000 1.097 61 I CA 1.359 62.911 61.300 0.420 0.000 1.363 61 I CB -0.747 37.495 38.000 0.405 0.000 1.051 61 I HN 0.297 nan 8.210 nan 0.000 0.413 62 T N 1.168 115.880 114.554 0.264 0.000 2.635 62 T HA -0.197 4.154 4.350 0.002 0.000 0.267 62 T C 1.847 176.666 174.700 0.198 0.000 1.040 62 T CA 1.781 64.001 62.100 0.200 0.000 1.156 62 T CB -0.263 68.713 68.868 0.179 0.000 0.863 62 T HN 0.254 nan 8.240 nan 0.000 0.430 63 I N 0.558 121.275 120.570 0.246 0.000 2.202 63 I HA -0.154 4.017 4.170 0.002 0.000 0.242 63 I C 2.525 178.812 176.117 0.284 0.000 1.091 63 I CA 1.420 62.873 61.300 0.256 0.000 1.368 63 I CB -0.520 37.670 38.000 0.315 0.000 1.058 63 I HN 0.330 nan 8.210 nan 0.000 0.410 64 E N 1.237 121.627 120.200 0.316 0.000 2.049 64 E HA -0.270 4.081 4.350 0.002 0.000 0.198 64 E C 2.120 178.850 176.600 0.216 0.000 1.007 64 E CA 1.658 58.227 56.400 0.281 0.000 0.809 64 E CB -0.358 29.575 29.700 0.387 0.000 0.749 64 E HN 0.525 nan 8.360 nan 0.000 0.450 65 R N 0.491 121.121 120.500 0.216 0.000 2.339 65 R HA 0.030 4.371 4.340 0.002 0.000 0.199 65 R C 1.764 178.103 176.300 0.065 0.000 1.018 65 R CA 0.776 56.926 56.100 0.082 0.000 1.036 65 R CB -0.106 30.168 30.300 -0.042 0.000 0.899 65 R HN 0.224 nan 8.270 nan 0.000 0.473 66 M N 0.551 120.211 119.600 0.101 0.000 2.394 66 M HA -0.026 4.455 4.480 0.002 0.000 0.266 66 M C 1.809 178.158 176.300 0.081 0.000 1.098 66 M CA 0.834 56.189 55.300 0.092 0.000 1.149 66 M CB 0.391 33.058 32.600 0.112 0.000 1.369 66 M HN 0.034 nan 8.290 nan 0.000 0.450 67 V N 0.555 120.503 119.914 0.055 0.000 2.453 67 V HA -0.212 3.909 4.120 0.002 0.000 0.247 67 V C 2.153 178.220 176.094 -0.045 0.000 1.048 67 V CA 1.346 63.616 62.300 -0.049 0.000 1.049 67 V CB -0.886 30.694 31.823 -0.405 0.000 0.672 67 V HN 0.442 nan 8.190 nan 0.000 0.457 68 L N -0.172 121.010 121.223 -0.068 0.000 2.072 68 L HA -0.072 4.269 4.340 0.002 0.000 0.205 68 L C 2.639 179.529 176.870 0.034 0.000 1.079 68 L CA 1.517 56.336 54.840 -0.035 0.000 0.752 68 L CB -0.791 41.251 42.059 -0.028 0.000 0.906 68 L HN 0.277 nan 8.230 nan 0.000 0.436 69 S N -0.247 115.470 115.700 0.029 0.000 2.442 69 S HA -0.074 4.397 4.470 0.002 0.000 0.236 69 S C 1.743 176.363 174.600 0.034 0.000 1.007 69 S CA 1.109 59.326 58.200 0.028 0.000 0.965 69 S CB -0.070 63.147 63.200 0.028 0.000 0.773 69 S HN 0.466 nan 8.310 nan 0.000 0.504 70 A N -1.457 121.397 122.820 0.057 0.000 2.345 70 A HA 0.467 4.788 4.320 0.002 0.000 0.225 70 A C 0.983 178.522 177.584 -0.075 0.000 1.243 70 A CA -0.076 51.970 52.037 0.014 0.000 0.875 70 A CB -0.136 18.895 19.000 0.051 0.000 0.929 70 A HN 0.540 nan 8.150 nan 0.000 0.502 71 F N -0.151 119.753 119.950 -0.076 0.000 2.871 71 F HA 0.143 4.674 4.527 0.008 0.000 0.344 71 F C 0.855 176.627 175.800 -0.046 0.000 1.078 71 F CA -0.455 57.501 58.000 -0.073 0.000 1.149 71 F CB 0.682 39.599 39.000 -0.137 0.000 1.087 71 F HN 0.356 nan 8.300 nan 0.000 0.557 72 D N -0.257 120.199 120.400 0.094 0.000 2.564 72 D HA 0.328 4.969 4.640 0.002 0.000 0.273 72 D C -0.025 176.287 176.300 0.020 0.000 1.192 72 D CA -0.120 53.913 54.000 0.055 0.000 1.080 72 D CB 2.031 42.854 40.800 0.037 0.000 1.160 72 D HN 0.105 nan 8.370 nan 0.000 0.607 73 E N -1.384 118.824 120.200 0.015 0.000 2.756 73 E HA 0.185 4.536 4.350 0.002 0.000 0.218 73 E C 0.878 177.479 176.600 0.001 0.000 1.042 73 E CA -0.185 56.217 56.400 0.004 0.000 1.713 73 E CB 0.912 30.615 29.700 0.004 0.000 2.443 73 E HN 0.328 nan 8.360 nan 0.000 1.080 74 R N 0.487 120.989 120.500 0.004 0.000 2.519 74 R HA 0.324 4.665 4.340 0.002 0.000 0.375 74 R C 0.114 176.414 176.300 0.001 0.000 0.926 74 R CA -0.009 56.091 56.100 -0.001 0.000 1.166 74 R CB 1.516 31.815 30.300 -0.002 0.000 1.626 74 R HN 0.046 nan 8.270 nan 0.000 0.529 75 R N -0.223 120.281 120.500 0.007 0.000 2.829 75 R HA 0.361 4.702 4.340 0.002 0.000 0.267 75 R C -0.299 176.007 176.300 0.010 0.000 1.051 75 R CA -0.580 55.524 56.100 0.007 0.000 0.927 75 R CB 0.448 30.755 30.300 0.011 0.000 1.292 75 R HN -0.144 nan 8.270 nan 0.000 0.445 76 N N -0.854 117.850 118.700 0.007 0.000 1.461 76 N HA -0.270 4.471 4.740 0.002 0.000 0.168 76 N C -0.312 175.197 175.510 -0.001 0.000 0.819 76 N CA 2.596 55.648 53.050 0.004 0.000 1.102 76 N CB -1.270 37.221 38.487 0.007 0.000 1.378 76 N HN 0.986 nan 8.380 nan 0.000 0.466 77 R N 0.475 120.974 120.500 -0.001 0.000 2.566 77 R HA 0.400 4.741 4.340 0.002 0.000 0.273 77 R C 1.601 177.887 176.300 -0.023 0.000 0.981 77 R CA 1.810 57.901 56.100 -0.015 0.000 1.091 77 R CB -2.122 28.171 30.300 -0.013 0.000 0.924 77 R HN 1.193 nan 8.270 nan 0.000 0.411 88 D N -0.693 119.704 120.400 -0.004 0.000 2.194 88 D HA 0.260 4.901 4.640 0.002 0.000 0.136 88 D C -2.747 173.551 176.300 -0.004 0.000 0.961 88 D CA -0.106 53.893 54.000 -0.002 0.000 1.080 88 D CB 0.717 41.516 40.800 -0.002 0.000 3.935 88 D HN 0.177 nan 8.370 nan 0.000 0.561 89 P HA 0.444 nan 4.420 nan 0.000 0.352 89 P C -0.284 177.016 177.300 -0.001 0.000 1.201 89 P CA -0.688 62.410 63.100 -0.003 0.000 0.780 89 P CB 0.465 32.162 31.700 -0.004 0.000 1.573 90 K N -0.572 119.827 120.400 -0.003 0.000 3.120 90 K HA 0.213 4.534 4.320 0.002 0.000 0.275 90 K C 0.536 177.141 176.600 0.008 0.000 0.914 90 K CA 0.228 56.513 56.287 -0.003 0.000 1.125 90 K CB -1.900 30.595 32.500 -0.008 0.000 1.053 90 K HN 0.462 nan 8.250 nan 0.000 0.450 91 K N 0.173 120.582 120.400 0.015 0.000 2.354 91 K HA 0.609 4.930 4.320 0.002 0.000 0.238 91 K C -0.421 176.205 176.600 0.044 0.000 1.068 91 K CA -0.341 55.967 56.287 0.035 0.000 0.925 91 K CB 1.168 33.683 32.500 0.026 0.000 1.286 91 K HN 0.295 nan 8.250 nan 0.000 0.500 92 T N -1.008 113.590 114.554 0.073 0.000 3.579 92 T HA 0.557 4.908 4.350 0.002 0.000 0.360 92 T C -0.162 174.600 174.700 0.103 0.000 1.285 92 T CA 0.297 62.440 62.100 0.072 0.000 1.127 92 T CB 0.458 69.364 68.868 0.063 0.000 1.244 92 T HN 1.367 nan 8.240 nan 0.000 0.476 93 G N 1.433 110.278 108.800 0.075 0.000 3.217 93 G HA2 0.946 4.907 3.960 0.002 0.000 0.213 93 G HA3 0.946 4.907 3.960 0.002 0.000 0.213 93 G C 0.137 175.073 174.900 0.061 0.000 1.294 93 G CA -0.516 44.634 45.100 0.082 0.000 0.987 93 G HN 1.536 nan 8.290 nan 0.000 0.584 94 G N -1.553 107.271 108.800 0.041 0.000 2.368 94 G HA2 0.434 4.395 3.960 0.002 0.000 0.303 94 G HA3 0.434 4.395 3.960 0.002 0.000 0.303 94 G C -3.473 171.412 174.900 -0.025 0.000 1.590 94 G CA -0.769 44.345 45.100 0.023 0.000 0.938 94 G HN 0.486 nan 8.290 nan 0.000 0.675 95 P HA 0.309 nan 4.420 nan 0.000 0.260 95 P C -0.199 176.841 177.300 -0.434 0.000 1.185 95 P CA 0.281 63.224 63.100 -0.261 0.000 0.763 95 P CB 0.408 31.981 31.700 -0.212 0.000 0.776 96 I N 4.320 124.624 120.570 -0.442 0.000 2.509 96 I HA 0.325 4.496 4.170 0.002 0.000 0.293 96 I C -0.394 175.505 176.117 -0.363 0.000 1.020 96 I CA -0.958 60.139 61.300 -0.338 0.000 1.088 96 I CB 1.513 39.487 38.000 -0.043 0.000 1.267 96 I HN 0.276 nan 8.210 nan 0.000 0.430 97 Y N 5.053 125.460 120.300 0.178 0.000 2.420 97 Y HA 0.649 5.201 4.550 0.004 0.000 0.334 97 Y C -0.084 176.050 175.900 0.389 0.000 1.094 97 Y CA -0.838 57.421 58.100 0.265 0.000 1.126 97 Y CB 1.392 39.972 38.460 0.200 0.000 1.217 97 Y HN 0.303 nan 8.280 nan 0.000 0.462 98 R N 1.596 122.430 120.500 0.558 0.000 2.510 98 R HA 0.319 4.660 4.340 0.002 0.000 0.287 98 R C -1.138 175.177 176.300 0.026 0.000 1.084 98 R CA -0.930 55.342 56.100 0.287 0.000 0.934 98 R CB 2.344 32.725 30.300 0.134 0.000 1.201 98 R HN 0.619 nan 8.270 nan 0.000 0.431 99 R N 3.256 123.425 120.500 -0.552 0.000 2.248 99 R HA 0.206 4.547 4.340 0.002 0.000 0.328 99 R C -0.596 175.464 176.300 -0.399 0.000 1.067 99 R CA -0.020 55.550 56.100 -0.884 0.000 0.924 99 R CB 0.533 29.914 30.300 -1.531 0.000 1.013 99 R HN 0.495 nan 8.270 nan 0.000 0.454 100 R N 3.709 124.060 120.500 -0.247 0.000 2.422 100 R HA 0.095 4.436 4.340 0.002 0.000 0.307 100 R C -0.856 175.376 176.300 -0.114 0.000 1.004 100 R CA -0.792 55.224 56.100 -0.140 0.000 0.882 100 R CB 1.144 31.403 30.300 -0.069 0.000 1.164 100 R HN 0.674 nan 8.270 nan 0.000 0.489 101 D N 1.887 122.220 120.400 -0.112 0.000 2.697 101 D HA -0.207 4.434 4.640 0.002 0.000 0.235 101 D C 0.473 176.726 176.300 -0.078 0.000 1.167 101 D CA 2.134 56.085 54.000 -0.082 0.000 0.656 101 D CB -0.508 40.259 40.800 -0.054 0.000 1.025 101 D HN 1.029 nan 8.370 nan 0.000 0.419 102 G N -0.520 108.216 108.800 -0.107 0.000 2.178 102 G HA2 -0.049 3.912 3.960 0.002 0.000 0.147 102 G HA3 -0.049 3.912 3.960 0.002 0.000 0.147 102 G C -0.238 174.584 174.900 -0.131 0.000 1.245 102 G CA 0.105 45.151 45.100 -0.090 0.000 1.275 102 G HN 0.443 nan 8.290 nan 0.000 0.491 103 K N 0.359 120.714 120.400 -0.076 0.000 2.273 103 K HA 0.447 4.768 4.320 0.002 0.000 0.240 103 K C -0.463 176.085 176.600 -0.087 0.000 1.056 103 K CA -0.528 55.735 56.287 -0.040 0.000 0.910 103 K CB 0.232 32.767 32.500 0.057 0.000 1.196 103 K HN 0.515 nan 8.250 nan 0.000 0.509 104 W N -0.120 121.201 121.300 0.035 0.000 2.303 104 W HA 0.406 5.066 4.660 0.000 0.000 0.334 104 W C -0.118 176.454 176.519 0.089 0.000 1.197 104 W CA -0.259 57.125 57.345 0.066 0.000 1.262 104 W CB 1.254 30.754 29.460 0.067 0.000 1.153 104 W HN 0.388 nan 8.180 nan 0.000 0.596 105 V N 0.071 120.229 119.914 0.407 0.000 3.147 105 V HA 0.593 4.714 4.120 0.002 0.000 0.306 105 V C -1.058 175.206 176.094 0.284 0.000 1.209 105 V CA -1.810 60.656 62.300 0.278 0.000 1.023 105 V CB 1.715 33.627 31.823 0.150 0.000 1.059 105 V HN 0.577 nan 8.190 nan 0.000 0.435 106 R N 0.992 121.596 120.500 0.174 0.000 2.295 106 R HA 0.547 4.888 4.340 0.002 0.000 0.324 106 R C -0.222 176.057 176.300 -0.036 0.000 0.968 106 R CA -0.274 55.832 56.100 0.009 0.000 0.837 106 R CB 1.349 31.661 30.300 0.021 0.000 1.133 106 R HN 0.946 nan 8.270 nan 0.000 0.450 107 E N 5.971 126.119 120.200 -0.086 0.000 3.105 107 E HA 0.068 4.419 4.350 0.002 0.000 0.219 107 E C -0.356 176.209 176.600 -0.059 0.000 1.064 107 E CA -0.525 55.850 56.400 -0.042 0.000 1.342 107 E CB 0.355 30.053 29.700 -0.004 0.000 1.295 107 E HN 0.511 nan 8.360 nan 0.000 0.438 108 L N 0.013 121.185 121.223 -0.085 0.000 2.714 108 L HA -0.070 4.271 4.340 0.002 0.000 0.301 108 L C -0.097 176.759 176.870 -0.023 0.000 1.248 108 L CA 0.553 55.355 54.840 -0.064 0.000 0.885 108 L CB -0.358 41.673 42.059 -0.047 0.000 1.143 108 L HN 0.090 nan 8.230 nan 0.000 0.500 109 I N 0.945 121.517 120.570 0.003 0.000 3.522 109 I HA 0.880 5.051 4.170 0.002 0.000 0.292 109 I C -0.737 175.401 176.117 0.035 0.000 1.147 109 I CA -1.189 60.124 61.300 0.022 0.000 1.032 109 I CB 1.582 39.623 38.000 0.067 0.000 1.337 109 I HN 0.583 nan 8.210 nan 0.000 0.496 110 L N 0.993 122.227 121.223 0.019 0.000 2.543 110 L HA 0.521 4.862 4.340 0.002 0.000 0.265 110 L C -1.629 175.234 176.870 -0.012 0.000 0.945 110 L CA -0.288 54.569 54.840 0.027 0.000 0.869 110 L CB 1.954 44.006 42.059 -0.011 0.000 1.294 110 L HN 0.604 nan 8.230 nan 0.000 0.405 111 Y N 0.201 120.509 120.300 0.014 0.000 2.605 111 Y HA 0.386 4.936 4.550 0.001 0.000 0.343 111 Y C -0.372 175.538 175.900 0.016 0.000 1.036 111 Y CA -0.620 57.491 58.100 0.018 0.000 1.065 111 Y CB 2.186 40.665 38.460 0.032 0.000 1.288 111 Y HN 0.448 nan 8.280 nan 0.000 0.481 112 D N 1.858 122.401 120.400 0.239 0.000 2.317 112 D HA 0.182 4.823 4.640 0.002 0.000 0.252 112 D C 0.612 176.987 176.300 0.125 0.000 1.174 112 D CA 0.121 54.201 54.000 0.132 0.000 0.866 112 D CB 1.302 42.157 40.800 0.091 0.000 1.127 112 D HN 0.453 nan 8.370 nan 0.000 0.467 113 K N 2.254 122.690 120.400 0.061 0.000 2.032 113 K HA -0.214 4.107 4.320 0.002 0.000 0.218 113 K C 1.576 178.169 176.600 -0.012 0.000 1.054 113 K CA 1.306 57.599 56.287 0.011 0.000 0.941 113 K CB 0.018 32.491 32.500 -0.044 0.000 0.720 113 K HN 0.547 nan 8.250 nan 0.000 0.449 114 E N 1.043 121.232 120.200 -0.018 0.000 2.401 114 E HA -0.223 4.128 4.350 0.002 0.000 0.199 114 E C 1.685 178.309 176.600 0.040 0.000 1.023 114 E CA 1.255 57.643 56.400 -0.020 0.000 0.859 114 E CB -0.008 29.683 29.700 -0.016 0.000 0.780 114 E HN 0.339 nan 8.360 nan 0.000 0.523 115 E N 1.017 121.267 120.200 0.083 0.000 2.122 115 E HA -0.053 4.298 4.350 0.002 0.000 0.190 115 E C 1.886 178.563 176.600 0.128 0.000 0.977 115 E CA 0.512 56.987 56.400 0.125 0.000 0.820 115 E CB -0.012 29.810 29.700 0.202 0.000 0.770 115 E HN 0.165 nan 8.360 nan 0.000 0.462 116 I N 0.708 121.351 120.570 0.121 0.000 2.277 116 I HA -0.046 4.126 4.170 0.002 0.000 0.243 116 I C 2.449 178.737 176.117 0.286 0.000 1.094 116 I CA 0.989 62.390 61.300 0.168 0.000 1.393 116 I CB -1.243 36.843 38.000 0.143 0.000 1.078 116 I HN 0.166 nan 8.210 nan 0.000 0.417 117 R N 0.513 121.109 120.500 0.160 0.000 2.113 117 R HA -0.212 4.129 4.340 0.002 0.000 0.244 117 R C 2.496 178.971 176.300 0.292 0.000 1.142 117 R CA 1.558 57.751 56.100 0.154 0.000 0.953 117 R CB -0.252 29.926 30.300 -0.204 0.000 0.860 117 R HN 0.257 nan 8.270 nan 0.000 0.438 118 R N 0.599 121.213 120.500 0.189 0.000 2.096 118 R HA -0.180 4.162 4.340 0.002 0.000 0.240 118 R C 2.204 178.635 176.300 0.217 0.000 1.139 118 R CA 1.855 58.057 56.100 0.170 0.000 0.952 118 R CB -0.266 30.105 30.300 0.117 0.000 0.854 118 R HN 0.231 nan 8.270 nan 0.000 0.436 119 I N -0.467 120.264 120.570 0.268 0.000 2.090 119 I HA -0.326 3.845 4.170 0.002 0.000 0.236 119 I C 2.482 178.868 176.117 0.448 0.000 1.064 119 I CA 1.254 62.730 61.300 0.295 0.000 1.324 119 I CB -1.824 36.336 38.000 0.267 0.000 1.044 119 I HN 0.473 nan 8.210 nan 0.000 0.399 120 W N 2.999 124.571 121.300 0.454 0.000 2.257 120 W HA -0.366 4.292 4.660 -0.003 0.000 0.325 120 W C 2.792 179.399 176.519 0.146 0.000 1.296 120 W CA 2.319 59.824 57.345 0.268 0.000 1.297 120 W CB -0.296 29.206 29.460 0.070 0.000 1.131 120 W HN 0.199 nan 8.180 nan 0.000 0.492 121 R N -0.518 120.098 120.500 0.193 0.000 2.066 121 R HA -0.179 4.162 4.340 0.002 0.000 0.232 121 R C 2.339 178.622 176.300 -0.030 0.000 1.131 121 R CA 1.600 57.711 56.100 0.017 0.000 0.955 121 R CB -0.877 29.509 30.300 0.144 0.000 0.851 121 R HN 0.242 nan 8.270 nan 0.000 0.432 122 Q N 0.046 119.872 119.800 0.043 0.000 2.291 122 Q HA -0.023 4.318 4.340 0.002 0.000 0.205 122 Q C 1.769 177.763 176.000 -0.011 0.000 0.970 122 Q CA 1.319 57.133 55.803 0.019 0.000 0.876 122 Q CB 0.140 28.905 28.738 0.046 0.000 0.935 122 Q HN 0.347 nan 8.270 nan 0.000 0.455 123 A N 0.469 123.283 122.820 -0.009 0.000 2.218 123 A HA 0.022 4.344 4.320 0.002 0.000 0.209 123 A C 1.208 178.680 177.584 -0.188 0.000 1.168 123 A CA 0.271 52.285 52.037 -0.038 0.000 0.804 123 A CB 0.209 19.267 19.000 0.097 0.000 0.834 123 A HN 0.195 nan 8.150 nan 0.000 0.482 124 N N 0.196 118.730 118.700 -0.276 0.000 2.197 124 N HA 0.042 4.784 4.740 0.002 0.000 0.228 124 N C -1.078 174.303 175.510 -0.214 0.000 1.212 124 N CA -0.039 52.797 53.050 -0.356 0.000 0.883 124 N CB 0.337 38.423 38.487 -0.668 0.000 1.107 124 N HN 0.359 nan 8.380 nan 0.000 0.519 125 N N 0.629 119.249 118.700 -0.134 0.000 2.688 125 N HA -0.138 4.603 4.740 0.002 0.000 0.261 125 N C 0.695 176.167 175.510 -0.063 0.000 1.116 125 N CA 0.896 53.897 53.050 -0.081 0.000 0.689 125 N CB -1.665 36.776 38.487 -0.077 0.000 0.882 125 N HN 0.391 nan 8.380 nan 0.000 0.554 126 G N -1.191 107.584 108.800 -0.041 0.000 2.168 126 G HA2 -0.325 3.636 3.960 0.002 0.000 0.257 126 G HA3 -0.325 3.636 3.960 0.002 0.000 0.257 126 G C -0.089 174.802 174.900 -0.016 0.000 0.997 126 G CA 1.036 46.126 45.100 -0.016 0.000 0.708 126 G HN 0.703 nan 8.290 nan 0.000 0.520 127 E N -1.486 118.687 120.200 -0.045 0.000 2.459 127 E HA 0.502 4.853 4.350 0.002 0.000 0.275 127 E C 0.359 176.919 176.600 -0.067 0.000 0.987 127 E CA -0.281 56.096 56.400 -0.038 0.000 0.828 127 E CB 1.016 30.678 29.700 -0.064 0.000 1.428 127 E HN 0.118 nan 8.360 nan 0.000 0.457 128 D N -0.357 120.032 120.400 -0.019 0.000 2.473 128 D HA 0.083 4.724 4.640 0.002 0.000 0.242 128 D C 0.401 176.692 176.300 -0.015 0.000 1.106 128 D CA 0.588 54.586 54.000 -0.003 0.000 0.854 128 D CB 0.321 41.294 40.800 0.288 0.000 1.192 128 D HN 0.567 nan 8.370 nan 0.000 0.503 129 A N 1.633 124.439 122.820 -0.023 0.000 2.261 129 A HA -0.218 4.103 4.320 0.002 0.000 0.282 129 A C 1.567 179.165 177.584 0.023 0.000 1.403 129 A CA 1.379 53.397 52.037 -0.031 0.000 0.753 129 A CB -2.715 16.228 19.000 -0.094 0.000 1.125 129 A HN 0.672 nan 8.150 nan 0.000 0.358 130 T N -2.275 112.307 114.554 0.046 0.000 2.932 130 T HA -0.108 4.243 4.350 0.002 0.000 0.269 130 T C 1.733 176.450 174.700 0.029 0.000 1.131 130 T CA 1.795 63.910 62.100 0.025 0.000 1.107 130 T CB -0.689 68.164 68.868 -0.024 0.000 0.824 130 T HN 1.921 nan 8.240 nan 0.000 0.552 131 A N 1.579 124.412 122.820 0.023 0.000 1.986 131 A HA 0.141 4.462 4.320 0.002 0.000 0.220 131 A C 2.664 180.269 177.584 0.035 0.000 1.171 131 A CA 1.829 53.874 52.037 0.015 0.000 0.640 131 A CB -1.628 17.364 19.000 -0.013 0.000 0.811 131 A HN 0.672 nan 8.150 nan 0.000 0.451 132 G N -0.115 108.729 108.800 0.073 0.000 2.453 132 G HA2 -0.162 3.799 3.960 0.002 0.000 0.215 132 G HA3 -0.162 3.799 3.960 0.002 0.000 0.215 132 G C 1.526 176.489 174.900 0.106 0.000 1.201 132 G CA 0.967 46.154 45.100 0.144 0.000 0.784 132 G HN 0.434 nan 8.290 nan 0.000 0.545 133 L N 1.146 122.373 121.223 0.005 0.000 2.034 133 L HA -0.237 4.104 4.340 0.002 0.000 0.217 133 L C 3.385 180.197 176.870 -0.097 0.000 1.077 133 L CA 2.249 56.936 54.840 -0.255 0.000 0.769 133 L CB -1.104 40.730 42.059 -0.376 0.000 0.890 133 L HN 0.503 nan 8.230 nan 0.000 0.435 134 T N -4.062 110.478 114.554 -0.024 0.000 2.737 134 T HA -0.291 4.060 4.350 0.002 0.000 0.265 134 T C 1.720 176.445 174.700 0.042 0.000 1.038 134 T CA 1.362 63.467 62.100 0.008 0.000 1.144 134 T CB -0.738 68.139 68.868 0.015 0.000 0.866 134 T HN 0.459 nan 8.240 nan 0.000 0.434 135 H N 1.274 120.330 119.070 -0.023 0.000 2.297 135 H HA -0.164 4.392 4.556 0.001 0.000 0.289 135 H C 2.318 177.657 175.328 0.018 0.000 1.105 135 H CA 2.529 58.568 56.048 -0.014 0.000 1.219 135 H CB -0.526 29.197 29.762 -0.064 0.000 1.351 135 H HN 0.314 nan 8.280 nan 0.000 0.481 136 M N -0.483 119.165 119.600 0.080 0.000 2.065 136 M HA -0.222 4.259 4.480 0.002 0.000 0.259 136 M C 2.581 178.884 176.300 0.004 0.000 1.069 136 M CA 2.270 57.595 55.300 0.042 0.000 1.110 136 M CB -0.170 32.453 32.600 0.038 0.000 1.328 136 M HN 0.550 nan 8.290 nan 0.000 0.405 137 M N -0.108 119.524 119.600 0.053 0.000 2.549 137 M HA -0.146 4.335 4.480 0.002 0.000 0.260 137 M C 1.492 177.811 176.300 0.031 0.000 1.076 137 M CA 1.381 56.750 55.300 0.115 0.000 1.090 137 M CB -0.280 32.364 32.600 0.073 0.000 1.418 137 M HN 0.307 nan 8.290 nan 0.000 0.486 138 I N -0.010 120.545 120.570 -0.025 0.000 2.193 138 I HA -0.266 3.905 4.170 0.002 0.000 0.240 138 I C 2.408 178.485 176.117 -0.067 0.000 1.084 138 I CA 1.373 62.641 61.300 -0.053 0.000 1.365 138 I CB -0.859 37.087 38.000 -0.090 0.000 1.064 138 I HN 0.644 nan 8.210 nan 0.000 0.410 139 W N 2.722 123.853 121.300 -0.282 0.000 2.318 139 W HA -0.294 4.366 4.660 0.000 0.000 0.313 139 W C 2.180 178.590 176.519 -0.181 0.000 1.221 139 W CA 1.897 59.070 57.345 -0.286 0.000 1.266 139 W CB -1.009 28.226 29.460 -0.374 0.000 1.150 139 W HN 0.259 nan 8.180 nan 0.000 0.496 140 H N 0.500 119.184 119.070 -0.644 0.000 2.289 140 H HA -0.231 4.325 4.556 0.001 0.000 0.296 140 H C 2.844 177.911 175.328 -0.435 0.000 1.091 140 H CA 2.865 58.491 56.048 -0.703 0.000 1.274 140 H CB -0.565 29.006 29.762 -0.320 0.000 1.364 140 H HN 0.118 nan 8.280 nan 0.000 0.490 141 S N 0.390 116.025 115.700 -0.108 0.000 2.365 141 S HA -0.286 4.185 4.470 0.002 0.000 0.221 141 S C 2.079 176.619 174.600 -0.100 0.000 1.037 141 S CA 1.789 59.947 58.200 -0.071 0.000 1.060 141 S CB -0.342 62.840 63.200 -0.030 0.000 0.974 141 S HN 0.390 nan 8.310 nan 0.000 0.427 142 N N 1.672 120.303 118.700 -0.115 0.000 2.058 142 N HA -0.172 4.569 4.740 0.002 0.000 0.200 142 N C 1.718 177.123 175.510 -0.174 0.000 1.033 142 N CA 1.724 54.709 53.050 -0.108 0.000 0.880 142 N CB -1.279 37.162 38.487 -0.076 0.000 1.069 142 N HN 0.464 nan 8.380 nan 0.000 0.461 143 L N 1.683 122.690 121.223 -0.359 0.000 2.064 143 L HA -0.205 4.136 4.340 0.002 0.000 0.216 143 L C 1.687 178.433 176.870 -0.206 0.000 1.077 143 L CA 1.865 56.459 54.840 -0.409 0.000 0.766 143 L CB -1.063 40.469 42.059 -0.879 0.000 0.890 143 L HN 0.296 nan 8.230 nan 0.000 0.435 144 N N -0.785 117.832 118.700 -0.138 0.000 2.216 144 N HA -0.162 4.579 4.740 0.002 0.000 0.183 144 N C 1.228 176.775 175.510 0.062 0.000 1.017 144 N CA 1.373 54.433 53.050 0.017 0.000 0.861 144 N CB -0.042 38.484 38.487 0.065 0.000 0.986 144 N HN 0.493 nan 8.380 nan 0.000 0.428 145 D N 0.673 121.091 120.400 0.030 0.000 2.263 145 D HA -0.080 4.561 4.640 0.002 0.000 0.208 145 D C 1.563 177.895 176.300 0.053 0.000 0.971 145 D CA 0.422 54.460 54.000 0.064 0.000 0.867 145 D CB -0.104 40.720 40.800 0.040 0.000 0.929 145 D HN 0.280 nan 8.370 nan 0.000 0.492 146 A N -0.078 122.749 122.820 0.010 0.000 2.021 146 A HA -0.012 4.309 4.320 0.002 0.000 0.216 146 A C 2.192 179.895 177.584 0.199 0.000 1.163 146 A CA 1.214 53.278 52.037 0.045 0.000 0.676 146 A CB -0.091 18.862 19.000 -0.079 0.000 0.818 146 A HN 0.192 nan 8.150 nan 0.000 0.453 147 T N -2.032 112.551 114.554 0.047 0.000 3.044 147 T HA 0.186 4.537 4.350 0.002 0.000 0.237 147 T C -0.068 174.508 174.700 -0.207 0.000 1.001 147 T CA 0.528 62.510 62.100 -0.197 0.000 1.160 147 T CB -0.174 68.353 68.868 -0.568 0.000 0.889 147 T HN 0.339 nan 8.240 nan 0.000 0.442 148 Y N 2.339 122.740 120.300 0.169 0.000 2.369 148 Y HA 0.483 5.034 4.550 0.001 0.000 0.337 148 Y C 0.315 176.240 175.900 0.042 0.000 0.961 148 Y CA -1.384 56.779 58.100 0.106 0.000 1.186 148 Y CB 0.904 39.388 38.460 0.041 0.000 1.139 148 Y HN 0.023 nan 8.280 nan 0.000 0.494 149 Q N 3.950 123.864 119.800 0.190 0.000 2.409 149 Q HA 0.108 4.450 4.340 0.002 0.000 0.240 149 Q C -0.269 175.716 176.000 -0.024 0.000 1.226 149 Q CA 0.320 56.083 55.803 -0.066 0.000 0.895 149 Q CB 0.191 28.987 28.738 0.097 0.000 1.491 149 Q HN 0.556 nan 8.270 nan 0.000 0.509 150 R N 2.676 123.137 120.500 -0.064 0.000 4.263 150 R HA 0.038 4.379 4.340 0.002 0.000 0.248 150 R C 1.045 177.319 176.300 -0.044 0.000 1.796 150 R CA 0.627 56.712 56.100 -0.025 0.000 1.518 150 R CB -0.185 30.109 30.300 -0.011 0.000 1.342 150 R HN 0.858 nan 8.270 nan 0.000 0.706 151 T N -2.105 112.424 114.554 -0.041 0.000 2.708 151 T HA -0.241 4.110 4.350 0.002 0.000 0.266 151 T C 1.894 176.578 174.700 -0.026 0.000 1.037 151 T CA 0.793 62.871 62.100 -0.037 0.000 1.146 151 T CB -0.099 68.754 68.868 -0.025 0.000 0.865 151 T HN 0.345 nan 8.240 nan 0.000 0.435 152 R N 1.681 122.170 120.500 -0.018 0.000 2.133 152 R HA -0.109 4.232 4.340 0.002 0.000 0.247 152 R C 2.567 178.855 176.300 -0.021 0.000 1.151 152 R CA 1.668 57.758 56.100 -0.017 0.000 0.971 152 R CB -0.772 29.518 30.300 -0.017 0.000 0.866 152 R HN 0.540 nan 8.270 nan 0.000 0.447 153 A N 0.635 123.440 122.820 -0.025 0.000 1.930 153 A HA -0.029 4.292 4.320 0.002 0.000 0.215 153 A C 2.150 179.721 177.584 -0.022 0.000 1.176 153 A CA 0.714 52.736 52.037 -0.025 0.000 0.632 153 A CB -0.302 18.681 19.000 -0.028 0.000 0.819 153 A HN 0.337 nan 8.150 nan 0.000 0.445 154 L N 0.204 121.411 121.223 -0.027 0.000 2.131 154 L HA -0.189 4.152 4.340 0.002 0.000 0.210 154 L C 2.688 179.548 176.870 -0.018 0.000 1.092 154 L CA 1.520 56.344 54.840 -0.027 0.000 0.759 154 L CB -0.519 41.517 42.059 -0.039 0.000 0.903 154 L HN 0.469 nan 8.230 nan 0.000 0.435 155 V N -2.816 117.088 119.914 -0.016 0.000 2.307 155 V HA -0.227 3.894 4.120 0.002 0.000 0.245 155 V C 2.462 178.552 176.094 -0.005 0.000 1.045 155 V CA 1.248 63.542 62.300 -0.010 0.000 1.024 155 V CB -0.859 30.958 31.823 -0.010 0.000 0.651 155 V HN 0.322 nan 8.190 nan 0.000 0.449 156 R N 0.687 121.182 120.500 -0.007 0.000 2.154 156 R HA -0.148 4.193 4.340 0.002 0.000 0.248 156 R C 2.293 178.594 176.300 0.002 0.000 1.155 156 R CA 2.182 58.280 56.100 -0.004 0.000 0.979 156 R CB -0.792 29.503 30.300 -0.008 0.000 0.869 156 R HN 0.707 nan 8.270 nan 0.000 0.452 157 T N -1.536 113.019 114.554 0.002 0.000 3.088 157 T HA 0.094 4.445 4.350 0.002 0.000 0.259 157 T C 1.223 175.933 174.700 0.016 0.000 1.122 157 T CA 0.847 62.954 62.100 0.011 0.000 1.095 157 T CB 0.457 69.331 68.868 0.009 0.000 0.930 157 T HN 0.554 nan 8.240 nan 0.000 0.508 158 G N 2.233 111.039 108.800 0.010 0.000 2.143 158 G HA2 -0.257 3.704 3.960 0.002 0.000 0.249 158 G HA3 -0.257 3.704 3.960 0.002 0.000 0.249 158 G C 0.122 175.029 174.900 0.012 0.000 0.981 158 G CA 0.404 45.512 45.100 0.013 0.000 0.665 158 G HN 0.644 nan 8.290 nan 0.000 0.528 159 M N -1.136 118.467 119.600 0.006 0.000 2.649 159 M HA 0.775 5.256 4.480 0.002 0.000 0.294 159 M C -0.679 175.613 176.300 -0.014 0.000 1.206 159 M CA -0.915 54.385 55.300 -0.001 0.000 0.928 159 M CB 1.161 33.760 32.600 -0.001 0.000 1.571 159 M HN -0.075 nan 8.290 nan 0.000 0.501 160 D N 1.605 121.991 120.400 -0.023 0.000 2.277 160 D HA 0.315 4.957 4.640 0.002 0.000 0.249 160 D C -1.732 174.541 176.300 -0.044 0.000 1.134 160 D CA -1.897 52.084 54.000 -0.032 0.000 0.863 160 D CB 1.596 42.373 40.800 -0.038 0.000 1.143 160 D HN 0.350 nan 8.370 nan 0.000 0.458 161 P HA -0.158 nan 4.420 nan 0.000 0.219 161 P C 1.113 178.377 177.300 -0.060 0.000 1.146 161 P CA 0.578 63.649 63.100 -0.048 0.000 0.808 161 P CB 0.452 32.132 31.700 -0.034 0.000 0.779 162 R N -0.520 119.946 120.500 -0.057 0.000 2.267 162 R HA -0.086 4.255 4.340 0.002 0.000 0.259 162 R C 1.922 178.166 176.300 -0.093 0.000 1.192 162 R CA 1.218 57.275 56.100 -0.071 0.000 1.013 162 R CB -1.386 28.873 30.300 -0.069 0.000 0.877 162 R HN 0.346 nan 8.270 nan 0.000 0.474 163 M N -0.625 118.917 119.600 -0.097 0.000 2.738 163 M HA 0.069 4.550 4.480 0.002 0.000 0.295 163 M C 0.931 177.127 176.300 -0.175 0.000 1.266 163 M CA -0.338 54.889 55.300 -0.122 0.000 0.985 163 M CB 0.300 32.840 32.600 -0.100 0.000 1.365 163 M HN 0.082 nan 8.290 nan 0.000 0.492 164 C N -0.236 118.960 119.300 -0.175 0.000 2.393 164 C HA -0.196 4.265 4.460 0.002 0.000 0.276 164 C C 2.909 177.561 174.990 -0.563 0.000 1.215 164 C CA 1.642 60.512 59.018 -0.247 0.000 1.743 164 C CB -1.603 26.049 27.740 -0.147 0.000 2.044 164 C HN 0.714 nan 8.230 nan 0.000 0.464 165 S N 1.982 117.412 115.700 -0.449 0.000 2.440 165 S HA -0.126 4.345 4.470 0.002 0.000 0.240 165 S C 1.402 175.552 174.600 -0.750 0.000 1.014 165 S CA 1.665 59.470 58.200 -0.659 0.000 0.980 165 S CB -0.801 62.313 63.200 -0.143 0.000 0.775 165 S HN 0.712 nan 8.310 nan 0.000 0.499 166 L N -0.335 120.604 121.223 -0.472 0.000 2.567 166 L HA 0.308 4.649 4.340 0.002 0.000 0.225 166 L C 1.175 177.870 176.870 -0.291 0.000 1.119 166 L CA 0.102 54.765 54.840 -0.296 0.000 0.871 166 L CB -0.321 41.640 42.059 -0.163 0.000 1.036 166 L HN 0.249 nan 8.230 nan 0.000 0.459 167 M N 0.698 120.064 119.600 -0.389 0.000 2.866 167 M HA 0.141 4.622 4.480 0.002 0.000 0.231 167 M C 0.273 176.531 176.300 -0.069 0.000 1.302 167 M CA 0.168 55.350 55.300 -0.197 0.000 1.083 167 M CB -0.928 31.585 32.600 -0.144 0.000 1.499 167 M HN 0.206 nan 8.290 nan 0.000 0.451 168 Q N 0.361 120.128 119.800 -0.054 0.000 2.311 168 Q HA 0.325 4.667 4.340 0.002 0.000 0.272 168 Q C 0.837 176.875 176.000 0.062 0.000 1.012 168 Q CA 0.549 56.431 55.803 0.131 0.000 0.891 168 Q CB 0.528 29.336 28.738 0.116 0.000 1.201 168 Q HN 0.816 nan 8.270 nan 0.000 0.391 169 G N 2.952 111.804 108.800 0.087 0.000 2.338 169 G HA2 -0.288 3.673 3.960 0.002 0.000 0.296 169 G HA3 -0.288 3.673 3.960 0.002 0.000 0.296 169 G C 0.533 175.443 174.900 0.016 0.000 1.040 169 G CA 0.612 45.733 45.100 0.035 0.000 1.004 169 G HN 0.750 nan 8.290 nan 0.000 0.509 170 S N -1.246 114.469 115.700 0.024 0.000 2.446 170 S HA -0.042 4.429 4.470 0.002 0.000 0.225 170 S C 2.207 176.808 174.600 0.002 0.000 1.016 170 S CA 1.435 59.638 58.200 0.004 0.000 0.943 170 S CB -0.251 62.949 63.200 -0.000 0.000 0.786 170 S HN 1.011 nan 8.310 nan 0.000 0.508 171 T N 1.025 115.585 114.554 0.010 0.000 3.113 171 T HA 0.189 4.540 4.350 0.002 0.000 0.263 171 T C 0.492 175.187 174.700 -0.009 0.000 1.143 171 T CA -0.123 61.976 62.100 -0.001 0.000 1.090 171 T CB -0.562 68.310 68.868 0.007 0.000 0.922 171 T HN 0.124 nan 8.240 nan 0.000 0.521 172 L N 4.146 125.367 121.223 -0.004 0.000 2.559 172 L HA 0.217 4.558 4.340 0.002 0.000 0.274 172 L C -1.634 175.231 176.870 -0.008 0.000 1.205 172 L CA -2.053 52.784 54.840 -0.006 0.000 0.907 172 L CB -0.199 41.856 42.059 -0.005 0.000 1.153 172 L HN 0.113 nan 8.230 nan 0.000 0.490 173 P HA 0.071 nan 4.420 nan 0.000 0.270 173 P C -0.717 176.580 177.300 -0.005 0.000 1.223 173 P CA -0.564 62.531 63.100 -0.009 0.000 0.785 173 P CB 0.372 32.068 31.700 -0.007 0.000 0.923 174 R N 1.746 122.243 120.500 -0.005 0.000 2.641 174 R HA 0.202 4.543 4.340 0.002 0.000 0.269 174 R C 0.688 176.992 176.300 0.005 0.000 1.074 174 R CA -0.374 55.726 56.100 0.001 0.000 1.133 174 R CB 0.157 30.456 30.300 -0.000 0.000 1.029 174 R HN 0.387 nan 8.270 nan 0.000 0.488 175 R N 0.751 121.257 120.500 0.010 0.000 3.989 175 R HA -0.180 4.162 4.340 0.002 0.000 0.377 175 R C -1.094 175.213 176.300 0.011 0.000 1.158 175 R CA 1.401 57.509 56.100 0.014 0.000 1.035 175 R CB -2.686 27.624 30.300 0.016 0.000 1.557 175 R HN 0.949 nan 8.270 nan 0.000 0.551 176 S N -0.498 115.206 115.700 0.007 0.000 2.558 176 S HA 0.411 4.882 4.470 0.002 0.000 0.288 176 S C 1.043 175.646 174.600 0.006 0.000 1.318 176 S CA -0.309 57.894 58.200 0.005 0.000 1.056 176 S CB 1.190 64.390 63.200 0.001 0.000 0.853 176 S HN 0.773 nan 8.310 nan 0.000 0.505 177 G N 1.497 110.301 108.800 0.006 0.000 2.163 177 G HA2 0.297 4.258 3.960 0.002 0.000 0.239 177 G HA3 0.297 4.258 3.960 0.002 0.000 0.239 177 G C 1.166 176.071 174.900 0.007 0.000 1.148 177 G CA -0.265 44.840 45.100 0.009 0.000 0.880 177 G HN 1.280 nan 8.290 nan 0.000 0.466 178 A N 3.461 126.287 122.820 0.009 0.000 1.906 178 A HA -0.121 4.200 4.320 0.002 0.000 0.222 178 A C 2.732 180.320 177.584 0.006 0.000 1.282 178 A CA 3.034 55.075 52.037 0.007 0.000 0.675 178 A CB -0.927 18.079 19.000 0.010 0.000 0.838 178 A HN 1.837 nan 8.150 nan 0.000 0.469 179 A N -1.258 121.568 122.820 0.011 0.000 2.248 179 A HA 0.326 4.647 4.320 0.002 0.000 0.210 179 A C 1.931 179.522 177.584 0.012 0.000 1.174 179 A CA 1.463 53.509 52.037 0.015 0.000 0.750 179 A CB -0.929 18.085 19.000 0.024 0.000 0.780 179 A HN 0.849 nan 8.150 nan 0.000 0.478 180 G N -1.214 107.590 108.800 0.006 0.000 2.608 180 G HA2 0.248 4.209 3.960 0.002 0.000 0.210 180 G HA3 0.248 4.209 3.960 0.002 0.000 0.210 180 G C 1.491 176.386 174.900 -0.009 0.000 1.139 180 G CA 0.737 45.837 45.100 -0.000 0.000 0.812 180 G HN 0.618 nan 8.290 nan 0.000 0.529 181 A N 1.137 123.951 122.820 -0.010 0.000 2.125 181 A HA 0.361 4.682 4.320 0.002 0.000 0.219 181 A C 2.612 180.180 177.584 -0.027 0.000 1.156 181 A CA 1.836 53.862 52.037 -0.020 0.000 0.671 181 A CB -0.421 18.569 19.000 -0.018 0.000 0.794 181 A HN 0.610 nan 8.150 nan 0.000 0.459 182 A N 0.217 123.027 122.820 -0.018 0.000 1.877 182 A HA -0.085 4.236 4.320 0.002 0.000 0.216 182 A C 1.925 179.486 177.584 -0.038 0.000 1.186 182 A CA 1.676 53.702 52.037 -0.019 0.000 0.620 182 A CB -0.551 18.449 19.000 0.000 0.000 0.822 182 A HN 0.404 nan 8.150 nan 0.000 0.443 183 I N 0.252 120.800 120.570 -0.037 0.000 2.151 183 I HA -0.196 3.975 4.170 0.002 0.000 0.243 183 I C 0.915 176.990 176.117 -0.069 0.000 1.080 183 I CA 1.106 62.371 61.300 -0.059 0.000 1.339 183 I CB -0.505 37.474 38.000 -0.035 0.000 1.039 183 I HN 0.212 nan 8.210 nan 0.000 0.409 184 K N 1.270 121.639 120.400 -0.051 0.000 2.530 184 K HA 0.154 4.475 4.320 0.002 0.000 0.280 184 K C 0.642 177.197 176.600 -0.074 0.000 1.004 184 K CA 0.275 56.532 56.287 -0.051 0.000 1.071 184 K CB -0.154 32.317 32.500 -0.048 0.000 0.876 184 K HN 0.308 nan 8.250 nan 0.000 0.487 185 G N 1.079 109.835 108.800 -0.074 0.000 2.616 185 G HA2 0.125 4.086 3.960 0.002 0.000 0.268 185 G HA3 0.125 4.086 3.960 0.002 0.000 0.268 185 G C 1.141 175.974 174.900 -0.111 0.000 1.213 185 G CA -0.850 44.194 45.100 -0.094 0.000 0.926 185 G HN 0.384 nan 8.290 nan 0.000 0.523 186 V N 1.204 121.046 119.914 -0.120 0.000 2.287 186 V HA -0.133 3.988 4.120 0.002 0.000 0.248 186 V C 3.074 179.111 176.094 -0.095 0.000 1.053 186 V CA 2.621 64.835 62.300 -0.144 0.000 1.027 186 V CB -1.040 30.718 31.823 -0.107 0.000 0.646 186 V HN 0.849 nan 8.190 nan 0.000 0.447 187 G N -1.114 107.635 108.800 -0.084 0.000 2.418 187 G HA2 -0.253 3.708 3.960 0.002 0.000 0.217 187 G HA3 -0.253 3.708 3.960 0.002 0.000 0.217 187 G C 1.697 176.557 174.900 -0.067 0.000 1.158 187 G CA 1.518 46.573 45.100 -0.074 0.000 0.771 187 G HN 0.447 nan 8.290 nan 0.000 0.545 188 T N 1.313 115.821 114.554 -0.076 0.000 2.622 188 T HA -0.146 4.205 4.350 0.002 0.000 0.266 188 T C 2.567 177.240 174.700 -0.046 0.000 1.047 188 T CA 1.480 63.547 62.100 -0.054 0.000 1.159 188 T CB -0.234 68.605 68.868 -0.048 0.000 0.863 188 T HN 0.069 nan 8.240 nan 0.000 0.422 189 M N 0.664 120.227 119.600 -0.061 0.000 2.073 189 M HA -0.127 4.354 4.480 0.002 0.000 0.258 189 M C 2.503 178.777 176.300 -0.043 0.000 1.070 189 M CA 1.499 56.762 55.300 -0.062 0.000 1.103 189 M CB -1.323 31.215 32.600 -0.102 0.000 1.321 189 M HN 0.160 nan 8.290 nan 0.000 0.405 190 V N 0.298 120.188 119.914 -0.039 0.000 2.255 190 V HA -0.338 3.783 4.120 0.002 0.000 0.247 190 V C 2.546 178.647 176.094 0.012 0.000 1.051 190 V CA 2.021 64.318 62.300 -0.006 0.000 1.018 190 V CB -0.722 31.111 31.823 0.017 0.000 0.641 190 V HN 0.521 nan 8.190 nan 0.000 0.445 191 M N 0.000 119.602 119.600 0.003 0.000 2.226 191 M HA -0.331 4.150 4.480 0.002 0.000 0.257 191 M C 2.341 178.656 176.300 0.026 0.000 1.070 191 M CA 2.546 57.853 55.300 0.012 0.000 1.087 191 M CB -0.494 32.103 32.600 -0.005 0.000 1.278 191 M HN 0.432 nan 8.290 nan 0.000 0.426 192 E N 0.120 120.329 120.200 0.016 0.000 2.136 192 E HA -0.285 4.067 4.350 0.002 0.000 0.202 192 E C 1.862 178.501 176.600 0.064 0.000 1.019 192 E CA 2.069 58.487 56.400 0.030 0.000 0.819 192 E CB -0.508 29.201 29.700 0.014 0.000 0.739 192 E HN 0.507 nan 8.360 nan 0.000 0.458 193 L N 0.465 121.723 121.223 0.058 0.000 1.988 193 L HA -0.166 4.176 4.340 0.002 0.000 0.207 193 L C 2.449 179.419 176.870 0.166 0.000 1.071 193 L CA 1.215 56.118 54.840 0.104 0.000 0.744 193 L CB -0.420 41.655 42.059 0.026 0.000 0.893 193 L HN 0.104 nan 8.230 nan 0.000 0.433 194 I N -0.401 120.242 120.570 0.122 0.000 2.181 194 I HA -0.389 3.783 4.170 0.002 0.000 0.247 194 I C 2.781 178.977 176.117 0.132 0.000 1.081 194 I CA 1.277 62.653 61.300 0.127 0.000 1.340 194 I CB -0.310 37.742 38.000 0.086 0.000 1.036 194 I HN 0.280 nan 8.210 nan 0.000 0.417 195 R N 1.067 121.630 120.500 0.106 0.000 2.105 195 R HA -0.165 4.176 4.340 0.002 0.000 0.239 195 R C 2.034 178.410 176.300 0.128 0.000 1.135 195 R CA 1.876 58.029 56.100 0.089 0.000 0.967 195 R CB -0.393 29.941 30.300 0.057 0.000 0.861 195 R HN 0.324 nan 8.270 nan 0.000 0.442 196 M N -0.587 119.135 119.600 0.204 0.000 2.160 196 M HA -0.034 4.447 4.480 0.002 0.000 0.264 196 M C 1.914 178.427 176.300 0.356 0.000 1.073 196 M CA 1.118 56.608 55.300 0.317 0.000 1.142 196 M CB -0.190 32.678 32.600 0.448 0.000 1.358 196 M HN 0.040 nan 8.290 nan 0.000 0.422 197 I N 0.644 121.437 120.570 0.372 0.000 2.185 197 I HA -0.353 3.818 4.170 0.002 0.000 0.246 197 I C 2.226 178.482 176.117 0.231 0.000 1.088 197 I CA 1.788 63.297 61.300 0.348 0.000 1.347 197 I CB -1.361 36.810 38.000 0.284 0.000 1.041 197 I HN 0.390 nan 8.210 nan 0.000 0.415 198 K N 0.442 120.947 120.400 0.175 0.000 1.985 198 K HA -0.139 4.182 4.320 0.002 0.000 0.210 198 K C 2.121 178.788 176.600 0.111 0.000 1.047 198 K CA 0.958 57.316 56.287 0.118 0.000 0.932 198 K CB -0.269 32.280 32.500 0.082 0.000 0.716 198 K HN 0.174 nan 8.250 nan 0.000 0.439 199 R N 0.225 120.796 120.500 0.118 0.000 2.316 199 R HA -0.104 4.237 4.340 0.002 0.000 0.232 199 R C 2.029 178.487 176.300 0.264 0.000 1.137 199 R CA 1.108 57.258 56.100 0.083 0.000 1.012 199 R CB -0.650 29.593 30.300 -0.096 0.000 0.859 199 R HN 0.429 nan 8.270 nan 0.000 0.474 200 G N -0.197 108.749 108.800 0.244 0.000 2.556 200 G HA2 -0.019 3.942 3.960 0.002 0.000 0.209 200 G HA3 -0.019 3.942 3.960 0.002 0.000 0.209 200 G C 1.572 176.495 174.900 0.038 0.000 1.159 200 G CA -0.179 44.899 45.100 -0.038 0.000 0.828 200 G HN 0.131 nan 8.290 nan 0.000 0.553 201 I N 0.707 121.341 120.570 0.106 0.000 2.060 201 I HA -0.090 4.081 4.170 0.002 0.000 0.233 201 I C 0.970 177.124 176.117 0.061 0.000 1.054 201 I CA 1.032 62.390 61.300 0.096 0.000 1.318 201 I CB -0.206 37.849 38.000 0.091 0.000 1.054 201 I HN 0.043 nan 8.210 nan 0.000 0.395 202 N N 0.899 119.630 118.700 0.052 0.000 3.194 202 N HA 0.153 4.894 4.740 0.002 0.000 0.271 202 N C -1.266 174.259 175.510 0.025 0.000 1.308 202 N CA -0.107 52.963 53.050 0.034 0.000 1.042 202 N CB 0.285 38.788 38.487 0.027 0.000 1.310 202 N HN 0.201 nan 8.380 nan 0.000 0.502 203 D N -0.108 120.308 120.400 0.026 0.000 2.694 203 D HA 0.137 4.778 4.640 0.002 0.000 0.260 203 D C -0.790 175.522 176.300 0.019 0.000 1.250 203 D CA -0.729 53.276 54.000 0.009 0.000 0.763 203 D CB 1.175 41.968 40.800 -0.012 0.000 1.311 203 D HN -0.033 nan 8.370 nan 0.000 0.420 204 R N 1.718 122.219 120.500 0.001 0.000 3.236 204 R HA -0.022 4.319 4.340 0.002 0.000 0.350 204 R C 0.131 176.451 176.300 0.032 0.000 0.770 204 R CA 0.332 56.436 56.100 0.008 0.000 1.049 204 R CB -1.168 29.126 30.300 -0.010 0.000 0.909 204 R HN 0.369 nan 8.270 nan 0.000 0.381 205 N N 4.299 122.993 118.700 -0.009 0.000 1.857 205 N HA -0.254 4.487 4.740 0.002 0.000 0.282 205 N C -0.175 175.257 175.510 -0.129 0.000 1.312 205 N CA 0.488 53.485 53.050 -0.088 0.000 0.994 205 N CB -0.258 38.218 38.487 -0.018 0.000 1.369 205 N HN 0.611 nan 8.380 nan 0.000 0.479 206 F N -1.069 118.588 119.950 -0.489 0.000 2.647 206 F HA 0.417 4.945 4.527 0.002 0.000 0.300 206 F C -0.481 175.084 175.800 -0.391 0.000 1.106 206 F CA -1.752 56.003 58.000 -0.408 0.000 1.313 206 F CB -0.325 38.452 39.000 -0.373 0.000 1.007 206 F HN 0.218 nan 8.300 nan 0.000 0.536 207 W N 1.757 122.857 121.300 -0.335 0.000 1.844 207 W HA 0.575 5.236 4.660 0.002 0.000 0.310 207 W C -0.243 176.205 176.519 -0.118 0.000 0.760 207 W CA -1.251 55.951 57.345 -0.237 0.000 2.103 207 W CB -0.326 28.939 29.460 -0.325 0.000 2.217 207 W HN -0.093 nan 8.180 nan 0.000 0.408 208 R N 1.630 122.183 120.500 0.088 0.000 2.674 208 R HA 0.526 4.868 4.340 0.002 0.000 0.270 208 R C 0.462 176.795 176.300 0.055 0.000 1.492 208 R CA 0.055 56.197 56.100 0.070 0.000 1.624 208 R CB 0.811 31.139 30.300 0.046 0.000 1.307 208 R HN 0.560 nan 8.270 nan 0.000 0.683 209 G N 1.302 110.137 108.800 0.060 0.000 2.113 209 G HA2 -0.258 3.703 3.960 0.002 0.000 0.082 209 G HA3 -0.258 3.703 3.960 0.002 0.000 0.082 209 G C 0.546 175.476 174.900 0.050 0.000 1.155 209 G CA 0.009 45.137 45.100 0.046 0.000 1.241 209 G HN 0.334 nan 8.290 nan 0.000 0.453 210 E N 0.735 120.962 120.200 0.045 0.000 1.998 210 E HA -0.123 4.228 4.350 0.002 0.000 0.196 210 E C 1.942 178.580 176.600 0.064 0.000 1.003 210 E CA 1.462 57.890 56.400 0.046 0.000 0.829 210 E CB -0.494 29.228 29.700 0.037 0.000 0.777 210 E HN 0.366 nan 8.360 nan 0.000 0.460 211 N N 1.321 120.063 118.700 0.070 0.000 2.192 211 N HA -0.153 4.588 4.740 0.002 0.000 0.188 211 N C 2.054 177.642 175.510 0.130 0.000 1.013 211 N CA 1.407 54.517 53.050 0.100 0.000 0.863 211 N CB -0.853 37.696 38.487 0.103 0.000 0.990 211 N HN 0.467 nan 8.380 nan 0.000 0.430 212 G N 0.893 109.759 108.800 0.111 0.000 2.532 212 G HA2 -0.256 3.705 3.960 0.002 0.000 0.222 212 G HA3 -0.256 3.705 3.960 0.002 0.000 0.222 212 G C 1.709 176.691 174.900 0.135 0.000 1.102 212 G CA 0.689 45.868 45.100 0.133 0.000 0.742 212 G HN 0.260 nan 8.290 nan 0.000 0.577 213 R N -0.935 119.629 120.500 0.106 0.000 2.310 213 R HA 0.249 4.590 4.340 0.002 0.000 0.199 213 R C 2.440 178.802 176.300 0.103 0.000 0.891 213 R CA -0.019 56.135 56.100 0.090 0.000 1.060 213 R CB -0.471 29.864 30.300 0.059 0.000 1.188 213 R HN 0.268 nan 8.270 nan 0.000 0.607 214 R N 0.727 121.289 120.500 0.103 0.000 2.091 214 R HA -0.066 4.275 4.340 0.002 0.000 0.238 214 R C 0.958 177.342 176.300 0.140 0.000 1.136 214 R CA 2.166 58.328 56.100 0.103 0.000 0.959 214 R CB -0.200 30.154 30.300 0.089 0.000 0.856 214 R HN 0.177 nan 8.270 nan 0.000 0.437 215 T N -1.690 112.979 114.554 0.191 0.000 3.174 215 T HA 0.209 4.560 4.350 0.002 0.000 0.269 215 T C 1.125 176.033 174.700 0.346 0.000 1.017 215 T CA -0.317 61.945 62.100 0.270 0.000 0.899 215 T CB 0.532 69.602 68.868 0.337 0.000 1.077 215 T HN 0.066 nan 8.240 nan 0.000 0.552 216 R N 1.969 122.630 120.500 0.269 0.000 2.175 216 R HA 0.320 4.661 4.340 0.002 0.000 0.202 216 R C 2.003 178.422 176.300 0.199 0.000 1.018 216 R CA 0.748 56.978 56.100 0.216 0.000 1.029 216 R CB -0.686 29.666 30.300 0.086 0.000 0.959 216 R HN 0.543 nan 8.270 nan 0.000 0.480 217 I N -1.245 119.421 120.570 0.161 0.000 2.353 217 I HA 0.164 4.336 4.170 0.002 0.000 0.248 217 I C 2.225 178.435 176.117 0.154 0.000 1.119 217 I CA 1.177 62.557 61.300 0.134 0.000 1.417 217 I CB -0.675 37.379 38.000 0.091 0.000 1.078 217 I HN 0.102 nan 8.210 nan 0.000 0.421 218 A N 1.117 124.044 122.820 0.178 0.000 1.927 218 A HA -0.297 4.024 4.320 0.002 0.000 0.220 218 A C 2.399 180.102 177.584 0.199 0.000 1.185 218 A CA 2.329 54.469 52.037 0.172 0.000 0.639 218 A CB -1.349 17.768 19.000 0.194 0.000 0.820 218 A HN 0.695 nan 8.150 nan 0.000 0.451 219 Y N 0.277 120.653 120.300 0.126 0.000 2.109 219 Y HA -0.156 4.395 4.550 0.002 0.000 0.285 219 Y C 2.448 178.372 175.900 0.039 0.000 1.131 219 Y CA 2.079 60.241 58.100 0.104 0.000 1.121 219 Y CB -0.270 38.269 38.460 0.131 0.000 0.987 219 Y HN 0.375 nan 8.280 nan 0.000 0.495 220 E N 0.199 120.564 120.200 0.276 0.000 2.147 220 E HA -0.275 4.077 4.350 0.002 0.000 0.199 220 E C 2.210 178.807 176.600 -0.006 0.000 1.005 220 E CA 1.612 58.082 56.400 0.118 0.000 0.810 220 E CB -0.177 29.597 29.700 0.124 0.000 0.736 220 E HN 0.574 nan 8.360 nan 0.000 0.460 221 R N -0.289 120.218 120.500 0.012 0.000 2.093 221 R HA 0.059 4.400 4.340 0.002 0.000 0.224 221 R C 2.431 178.703 176.300 -0.045 0.000 1.101 221 R CA 0.746 56.842 56.100 -0.007 0.000 0.979 221 R CB -0.186 30.125 30.300 0.017 0.000 0.877 221 R HN 0.175 nan 8.270 nan 0.000 0.441 222 M N 0.030 119.589 119.600 -0.068 0.000 2.213 222 M HA -0.191 4.290 4.480 0.002 0.000 0.263 222 M C 2.353 178.566 176.300 -0.146 0.000 1.062 222 M CA 1.290 56.532 55.300 -0.098 0.000 1.105 222 M CB -0.318 32.225 32.600 -0.095 0.000 1.385 222 M HN 0.224 nan 8.290 nan 0.000 0.417 223 C N 0.298 119.475 119.300 -0.206 0.000 2.446 223 C HA -0.094 4.367 4.460 0.002 0.000 0.277 223 C C 2.319 177.251 174.990 -0.097 0.000 1.275 223 C CA 0.879 59.787 59.018 -0.184 0.000 1.727 223 C CB -1.467 26.134 27.740 -0.232 0.000 2.010 223 C HN 0.567 nan 8.230 nan 0.000 0.486 224 N N 1.371 120.027 118.700 -0.072 0.000 2.244 224 N HA -0.042 4.699 4.740 0.002 0.000 0.183 224 N C 1.481 176.963 175.510 -0.047 0.000 1.016 224 N CA 1.057 54.084 53.050 -0.038 0.000 0.866 224 N CB -0.288 38.186 38.487 -0.022 0.000 0.980 224 N HN 0.345 nan 8.380 nan 0.000 0.430 225 I N 0.479 121.010 120.570 -0.064 0.000 2.202 225 I HA -0.134 4.037 4.170 0.002 0.000 0.242 225 I C 2.222 178.269 176.117 -0.117 0.000 1.091 225 I CA 0.747 62.005 61.300 -0.070 0.000 1.368 225 I CB -1.322 36.640 38.000 -0.063 0.000 1.058 225 I HN 0.171 nan 8.210 nan 0.000 0.410 226 L N 0.762 121.892 121.223 -0.156 0.000 2.017 226 L HA -0.233 4.108 4.340 0.002 0.000 0.208 226 L C 2.752 179.424 176.870 -0.330 0.000 1.073 226 L CA 1.550 56.224 54.840 -0.278 0.000 0.745 226 L CB -0.320 41.584 42.059 -0.259 0.000 0.894 226 L HN 0.204 nan 8.230 nan 0.000 0.432 227 K N -0.385 119.947 120.400 -0.114 0.000 2.107 227 K HA -0.247 4.074 4.320 0.002 0.000 0.211 227 K C 1.847 178.464 176.600 0.029 0.000 1.049 227 K CA 1.802 58.121 56.287 0.054 0.000 0.927 227 K CB -0.498 32.038 32.500 0.060 0.000 0.714 227 K HN 0.527 nan 8.250 nan 0.000 0.452 228 G N 1.015 109.796 108.800 -0.031 0.000 2.440 228 G HA2 -0.262 3.699 3.960 0.002 0.000 0.218 228 G HA3 -0.262 3.699 3.960 0.002 0.000 0.218 228 G C 1.265 176.151 174.900 -0.024 0.000 1.154 228 G CA 1.007 46.098 45.100 -0.015 0.000 0.767 228 G HN 0.350 nan 8.290 nan 0.000 0.552 229 K N -0.514 119.818 120.400 -0.114 0.000 2.365 229 K HA 0.101 4.422 4.320 0.002 0.000 0.199 229 K C 0.350 176.925 176.600 -0.041 0.000 1.045 229 K CA -0.168 56.049 56.287 -0.118 0.000 0.962 229 K CB -0.057 32.315 32.500 -0.213 0.000 0.759 229 K HN 0.339 nan 8.250 nan 0.000 0.469 230 F N 1.680 121.636 119.950 0.010 0.000 2.471 230 F HA -0.061 4.467 4.527 0.002 0.000 0.353 230 F C 1.863 177.670 175.800 0.013 0.000 1.113 230 F CA -0.652 57.355 58.000 0.012 0.000 1.262 230 F CB 0.833 39.839 39.000 0.010 0.000 1.146 230 F HN -0.008 nan 8.300 nan 0.000 0.578 231 Q N 1.243 121.202 119.800 0.266 0.000 2.013 231 Q HA -0.015 4.326 4.340 0.002 0.000 0.195 231 Q C 1.055 177.098 176.000 0.072 0.000 0.974 231 Q CA 1.042 56.920 55.803 0.124 0.000 0.826 231 Q CB -0.711 28.077 28.738 0.084 0.000 0.895 231 Q HN 0.760 nan 8.270 nan 0.000 0.448 232 T N -1.173 113.396 114.554 0.025 0.000 2.802 232 T HA 0.371 4.722 4.350 0.002 0.000 0.305 232 T C 1.138 175.829 174.700 -0.014 0.000 1.053 232 T CA 0.165 62.257 62.100 -0.014 0.000 1.058 232 T CB 1.044 69.879 68.868 -0.055 0.000 0.988 232 T HN 0.232 nan 8.240 nan 0.000 0.539 233 A N 1.311 124.121 122.820 -0.016 0.000 1.903 233 A HA 0.408 4.729 4.320 0.002 0.000 0.213 233 A C 2.647 180.210 177.584 -0.035 0.000 1.185 233 A CA 1.040 53.071 52.037 -0.010 0.000 0.628 233 A CB -1.386 17.610 19.000 -0.006 0.000 0.830 233 A HN 1.225 nan 8.150 nan 0.000 0.446 234 A N -0.395 122.394 122.820 -0.052 0.000 1.948 234 A HA -0.278 4.043 4.320 0.002 0.000 0.220 234 A C 2.109 179.628 177.584 -0.109 0.000 1.177 234 A CA 1.959 53.956 52.037 -0.067 0.000 0.636 234 A CB -0.559 18.406 19.000 -0.058 0.000 0.815 234 A HN 0.661 nan 8.150 nan 0.000 0.449 235 Q N -0.406 119.283 119.800 -0.184 0.000 2.016 235 Q HA -0.166 4.175 4.340 0.002 0.000 0.200 235 Q C 2.148 178.021 176.000 -0.212 0.000 0.978 235 Q CA 1.761 57.336 55.803 -0.381 0.000 0.833 235 Q CB -0.172 28.054 28.738 -0.853 0.000 0.895 235 Q HN 0.713 nan 8.270 nan 0.000 0.427 236 K N 0.546 120.914 120.400 -0.053 0.000 2.020 236 K HA -0.173 4.148 4.320 0.002 0.000 0.212 236 K C 2.184 178.803 176.600 0.032 0.000 1.050 236 K CA 1.340 57.679 56.287 0.087 0.000 0.929 236 K CB -0.448 32.107 32.500 0.091 0.000 0.714 236 K HN 0.146 nan 8.250 nan 0.000 0.443 237 A N 1.883 124.700 122.820 -0.006 0.000 1.958 237 A HA -0.238 4.083 4.320 0.002 0.000 0.221 237 A C 2.188 179.758 177.584 -0.023 0.000 1.178 237 A CA 2.202 54.230 52.037 -0.016 0.000 0.642 237 A CB -0.594 18.388 19.000 -0.029 0.000 0.816 237 A HN 0.498 nan 8.150 nan 0.000 0.453 238 M N -2.186 117.390 119.600 -0.041 0.000 2.506 238 M HA 0.088 4.569 4.480 0.002 0.000 0.260 238 M C 1.699 177.998 176.300 -0.003 0.000 1.104 238 M CA 1.108 56.379 55.300 -0.047 0.000 1.112 238 M CB 0.012 32.560 32.600 -0.088 0.000 1.401 238 M HN 0.240 nan 8.290 nan 0.000 0.473 239 M N 0.672 120.299 119.600 0.045 0.000 2.200 239 M HA -0.121 4.360 4.480 0.002 0.000 0.265 239 M C 1.333 177.655 176.300 0.037 0.000 1.066 239 M CA 1.383 56.734 55.300 0.086 0.000 1.127 239 M CB -1.091 31.611 32.600 0.169 0.000 1.379 239 M HN 0.302 nan 8.290 nan 0.000 0.420 240 D N 0.149 120.564 120.400 0.025 0.000 2.103 240 D HA -0.219 4.422 4.640 0.002 0.000 0.190 240 D C 1.935 178.237 176.300 0.003 0.000 0.997 240 D CA 1.435 55.441 54.000 0.010 0.000 0.833 240 D CB -0.344 40.459 40.800 0.004 0.000 0.961 240 D HN 0.335 nan 8.370 nan 0.000 0.447 241 Q N 0.239 120.035 119.800 -0.006 0.000 2.152 241 Q HA -0.123 4.218 4.340 0.002 0.000 0.206 241 Q C 2.307 178.305 176.000 -0.003 0.000 0.985 241 Q CA 0.776 56.570 55.803 -0.015 0.000 0.863 241 Q CB -0.149 28.570 28.738 -0.031 0.000 0.904 241 Q HN 0.149 nan 8.270 nan 0.000 0.422 242 V N 0.054 119.974 119.914 0.011 0.000 2.515 242 V HA -0.216 3.905 4.120 0.002 0.000 0.250 242 V C 2.194 178.333 176.094 0.075 0.000 1.058 242 V CA 1.945 64.268 62.300 0.038 0.000 1.064 242 V CB -0.455 31.393 31.823 0.042 0.000 0.675 242 V HN 0.334 nan 8.190 nan 0.000 0.461 243 R N 1.392 121.921 120.500 0.050 0.000 2.119 243 R HA -0.117 4.224 4.340 0.002 0.000 0.222 243 R C 1.565 177.913 176.300 0.079 0.000 1.088 243 R CA 1.196 57.355 56.100 0.097 0.000 0.984 243 R CB -0.004 30.308 30.300 0.020 0.000 0.884 243 R HN 0.684 nan 8.270 nan 0.000 0.447 244 E N 0.381 120.591 120.200 0.016 0.000 2.330 244 E HA 0.050 4.401 4.350 0.002 0.000 0.210 244 E C -0.612 175.953 176.600 -0.059 0.000 1.256 244 E CA -0.110 56.277 56.400 -0.022 0.000 1.346 244 E CB 0.614 30.300 29.700 -0.023 0.000 1.308 244 E HN -0.032 nan 8.360 nan 0.000 0.441 245 S N 0.558 116.205 115.700 -0.088 0.000 2.539 245 S HA 0.316 4.787 4.470 0.002 0.000 0.235 245 S C -0.594 173.811 174.600 -0.326 0.000 1.326 245 S CA -0.855 57.253 58.200 -0.154 0.000 1.183 245 S CB 0.160 63.298 63.200 -0.103 0.000 1.073 245 S HN 0.340 nan 8.310 nan 0.000 0.480 246 R N 2.653 122.951 120.500 -0.336 0.000 2.590 246 R HA 0.150 4.491 4.340 0.002 0.000 0.274 246 R C 0.244 176.255 176.300 -0.482 0.000 1.061 246 R CA 0.256 56.054 56.100 -0.505 0.000 1.081 246 R CB 0.066 30.172 30.300 -0.323 0.000 0.984 246 R HN 0.756 nan 8.270 nan 0.000 0.448 247 N N 1.522 119.772 118.700 -0.749 0.000 2.641 247 N HA -0.122 4.619 4.740 0.002 0.000 0.267 247 N C -2.640 172.750 175.510 -0.199 0.000 1.087 247 N CA 0.249 53.105 53.050 -0.325 0.000 0.731 247 N CB -0.208 38.246 38.487 -0.056 0.000 0.886 247 N HN 0.334 nan 8.380 nan 0.000 0.547 248 P HA 0.591 nan 4.420 nan 0.000 0.285 248 P C 0.391 177.721 177.300 0.049 0.000 1.269 248 P CA -0.275 62.755 63.100 -0.117 0.000 0.844 248 P CB 1.883 33.468 31.700 -0.191 0.000 1.094 249 G N 0.689 109.520 108.800 0.051 0.000 3.039 249 G HA2 0.135 4.096 3.960 0.002 0.000 0.202 249 G HA3 0.135 4.096 3.960 0.002 0.000 0.202 249 G C 0.588 175.529 174.900 0.068 0.000 1.151 249 G CA -0.415 44.731 45.100 0.076 0.000 0.836 249 G HN 0.399 nan 8.290 nan 0.000 0.598 250 N N 0.267 119.000 118.700 0.055 0.000 2.061 250 N HA -0.131 4.610 4.740 0.002 0.000 0.193 250 N C 2.446 177.982 175.510 0.043 0.000 1.030 250 N CA 1.925 55.004 53.050 0.049 0.000 0.856 250 N CB -0.091 38.419 38.487 0.038 0.000 1.023 250 N HN 0.472 nan 8.380 nan 0.000 0.424 251 A N 0.851 123.689 122.820 0.030 0.000 1.908 251 A HA -0.211 4.110 4.320 0.002 0.000 0.218 251 A C 2.035 179.634 177.584 0.025 0.000 1.181 251 A CA 1.673 53.721 52.037 0.018 0.000 0.627 251 A CB -0.468 18.533 19.000 0.002 0.000 0.818 251 A HN 0.215 nan 8.150 nan 0.000 0.445 252 E N -0.242 119.981 120.200 0.038 0.000 2.072 252 E HA -0.127 4.225 4.350 0.002 0.000 0.191 252 E C 1.912 178.559 176.600 0.078 0.000 0.985 252 E CA 1.342 57.775 56.400 0.056 0.000 0.801 252 E CB -0.508 29.236 29.700 0.073 0.000 0.750 252 E HN 0.859 nan 8.360 nan 0.000 0.452 253 I N -0.324 120.297 120.570 0.086 0.000 2.286 253 I HA -0.168 4.003 4.170 0.002 0.000 0.248 253 I C 1.665 177.832 176.117 0.083 0.000 1.115 253 I CA 1.467 62.822 61.300 0.092 0.000 1.392 253 I CB -0.105 37.952 38.000 0.094 0.000 1.065 253 I HN -0.141 nan 8.210 nan 0.000 0.418 254 E N 1.475 121.718 120.200 0.071 0.000 2.077 254 E HA -0.210 4.141 4.350 0.002 0.000 0.193 254 E C 1.910 178.570 176.600 0.102 0.000 0.989 254 E CA 1.549 57.995 56.400 0.078 0.000 0.800 254 E CB -0.581 29.155 29.700 0.059 0.000 0.746 254 E HN 0.593 nan 8.360 nan 0.000 0.452 255 D N 0.601 121.042 120.400 0.067 0.000 2.133 255 D HA -0.142 4.499 4.640 0.002 0.000 0.195 255 D C 2.149 178.527 176.300 0.131 0.000 0.997 255 D CA 0.702 54.734 54.000 0.053 0.000 0.840 255 D CB -0.262 40.540 40.800 0.002 0.000 0.947 255 D HN 0.153 nan 8.370 nan 0.000 0.452 256 L N 0.154 121.449 121.223 0.120 0.000 2.093 256 L HA -0.080 4.261 4.340 0.002 0.000 0.208 256 L C 2.452 179.407 176.870 0.143 0.000 1.085 256 L CA 0.542 55.461 54.840 0.132 0.000 0.755 256 L CB -0.174 41.946 42.059 0.102 0.000 0.904 256 L HN 0.048 nan 8.230 nan 0.000 0.435 257 I N -0.960 119.686 120.570 0.128 0.000 2.202 257 I HA -0.329 3.842 4.170 0.002 0.000 0.242 257 I C 2.497 178.686 176.117 0.120 0.000 1.091 257 I CA 1.401 62.762 61.300 0.101 0.000 1.368 257 I CB -0.341 37.706 38.000 0.078 0.000 1.058 257 I HN 0.156 nan 8.210 nan 0.000 0.410 258 F N 1.523 121.483 119.950 0.018 0.000 2.043 258 F HA -0.339 4.189 4.527 0.002 0.000 0.297 258 F C 2.315 178.119 175.800 0.006 0.000 1.118 258 F CA 1.764 59.768 58.000 0.006 0.000 1.202 258 F CB -0.264 38.735 39.000 -0.002 0.000 0.965 258 F HN -0.085 nan 8.300 nan 0.000 0.482 259 L N 0.697 122.160 121.223 0.400 0.000 2.043 259 L HA -0.216 4.125 4.340 0.002 0.000 0.212 259 L C 2.679 179.653 176.870 0.173 0.000 1.075 259 L CA 2.013 57.012 54.840 0.265 0.000 0.752 259 L CB -1.696 40.530 42.059 0.280 0.000 0.891 259 L HN 0.324 nan 8.230 nan 0.000 0.432 260 A N -0.893 122.011 122.820 0.140 0.000 1.865 260 A HA -0.257 4.064 4.320 0.002 0.000 0.217 260 A C 2.426 180.013 177.584 0.004 0.000 1.191 260 A CA 1.879 53.965 52.037 0.082 0.000 0.623 260 A CB -0.553 18.473 19.000 0.044 0.000 0.826 260 A HN 0.403 nan 8.150 nan 0.000 0.444 261 R N 0.064 120.524 120.500 -0.068 0.000 2.113 261 R HA -0.193 4.148 4.340 0.002 0.000 0.244 261 R C 2.657 178.869 176.300 -0.146 0.000 1.142 261 R CA 2.046 58.065 56.100 -0.135 0.000 0.953 261 R CB -0.587 29.576 30.300 -0.229 0.000 0.860 261 R HN 0.756 nan 8.270 nan 0.000 0.438 262 S N 0.448 116.027 115.700 -0.202 0.000 2.420 262 S HA -0.144 4.327 4.470 0.002 0.000 0.237 262 S C 2.025 176.591 174.600 -0.057 0.000 1.023 262 S CA 1.193 59.286 58.200 -0.178 0.000 0.991 262 S CB -0.167 62.922 63.200 -0.184 0.000 0.792 262 S HN 0.410 nan 8.310 nan 0.000 0.488 263 A N 0.875 123.708 122.820 0.021 0.000 2.239 263 A HA 0.364 4.685 4.320 0.002 0.000 0.209 263 A C 2.061 179.668 177.584 0.037 0.000 1.171 263 A CA 0.499 52.593 52.037 0.095 0.000 0.768 263 A CB -0.629 18.480 19.000 0.181 0.000 0.790 263 A HN 0.577 nan 8.150 nan 0.000 0.478 264 L N -0.478 120.738 121.223 -0.010 0.000 2.072 264 L HA -0.107 4.234 4.340 0.002 0.000 0.205 264 L C 2.018 178.891 176.870 0.005 0.000 1.079 264 L CA 0.632 55.462 54.840 -0.018 0.000 0.752 264 L CB -0.320 41.708 42.059 -0.051 0.000 0.906 264 L HN 0.332 nan 8.230 nan 0.000 0.436 265 I N -0.431 120.135 120.570 -0.006 0.000 4.229 265 I HA -0.054 4.117 4.170 0.002 0.000 0.228 265 I C 1.147 177.273 176.117 0.016 0.000 0.998 265 I CA 0.206 61.509 61.300 0.005 0.000 1.530 265 I CB -1.013 36.978 38.000 -0.014 0.000 1.406 265 I HN -0.055 nan 8.210 nan 0.000 0.449 266 L N 3.177 124.400 121.223 -0.000 0.000 2.838 266 L HA -0.040 4.301 4.340 0.002 0.000 0.287 266 L C 0.595 177.496 176.870 0.051 0.000 1.124 266 L CA 0.346 55.191 54.840 0.009 0.000 1.091 266 L CB -0.962 41.084 42.059 -0.022 0.000 1.448 266 L HN 0.261 nan 8.230 nan 0.000 0.455 267 R N 1.373 121.916 120.500 0.071 0.000 2.532 267 R HA 0.504 4.845 4.340 0.002 0.000 0.272 267 R C 0.467 176.854 176.300 0.144 0.000 1.032 267 R CA -0.361 55.802 56.100 0.104 0.000 1.089 267 R CB 1.318 31.677 30.300 0.098 0.000 1.098 267 R HN 0.628 nan 8.270 nan 0.000 0.526 268 G N -0.013 108.875 108.800 0.147 0.000 2.395 268 G HA2 0.146 4.107 3.960 0.002 0.000 0.283 268 G HA3 0.146 4.107 3.960 0.002 0.000 0.283 268 G C -0.699 174.261 174.900 0.100 0.000 1.178 268 G CA -0.447 44.728 45.100 0.125 0.000 0.837 268 G HN 0.475 nan 8.290 nan 0.000 0.518 269 S N 1.346 117.099 115.700 0.089 0.000 2.423 269 S HA 0.282 4.753 4.470 0.002 0.000 0.302 269 S C 0.452 175.091 174.600 0.065 0.000 1.143 269 S CA -0.257 58.003 58.200 0.100 0.000 1.080 269 S CB -0.492 62.762 63.200 0.089 0.000 1.081 269 S HN 0.538 nan 8.310 nan 0.000 0.522 270 I N -0.042 120.577 120.570 0.082 0.000 2.569 270 I HA 0.839 5.010 4.170 0.002 0.000 0.296 270 I C 0.151 176.250 176.117 -0.030 0.000 1.028 270 I CA -1.514 59.779 61.300 -0.012 0.000 1.082 270 I CB 1.561 39.510 38.000 -0.086 0.000 1.264 270 I HN 0.430 nan 8.210 nan 0.000 0.429 271 A N 4.901 127.690 122.820 -0.053 0.000 2.466 271 A HA 0.319 4.640 4.320 0.002 0.000 0.238 271 A C -0.353 177.134 177.584 -0.163 0.000 1.074 271 A CA 0.182 52.218 52.037 -0.002 0.000 0.774 271 A CB -0.015 18.993 19.000 0.013 0.000 1.015 271 A HN 0.901 nan 8.150 nan 0.000 0.498 272 H N 2.004 121.128 119.070 0.089 0.000 3.172 272 H HA 0.219 4.776 4.556 0.002 0.000 0.322 272 H C -0.945 174.433 175.328 0.082 0.000 1.003 272 H CA -0.859 55.240 56.048 0.086 0.000 1.466 272 H CB 1.239 31.059 29.762 0.097 0.000 1.673 272 H HN 0.594 nan 8.280 nan 0.000 0.512 273 K N 2.074 122.560 120.400 0.144 0.000 2.159 273 K HA 0.342 4.663 4.320 0.002 0.000 0.266 273 K C 0.084 176.734 176.600 0.084 0.000 0.975 273 K CA -0.768 55.592 56.287 0.121 0.000 0.865 273 K CB 2.442 34.999 32.500 0.095 0.000 1.087 273 K HN 0.287 nan 8.250 nan 0.000 0.446 274 S N 1.769 117.522 115.700 0.088 0.000 2.448 274 S HA 0.207 4.678 4.470 0.002 0.000 0.279 274 S C -0.406 174.213 174.600 0.032 0.000 1.195 274 S CA -0.547 57.640 58.200 -0.022 0.000 1.051 274 S CB -0.186 62.971 63.200 -0.071 0.000 0.948 274 S HN 0.503 nan 8.310 nan 0.000 0.493 275 C N 5.626 124.894 119.300 -0.054 0.000 2.346 275 C HA 0.524 4.985 4.460 0.002 0.000 0.326 275 C C 0.198 175.099 174.990 -0.148 0.000 1.224 275 C CA -1.184 57.804 59.018 -0.049 0.000 1.408 275 C CB -0.548 27.000 27.740 -0.320 0.000 2.089 275 C HN 0.749 nan 8.230 nan 0.000 0.456 276 L N 3.056 124.125 121.223 -0.256 0.000 2.416 276 L HA 0.526 4.867 4.340 0.002 0.000 0.262 276 L C -2.264 173.922 176.870 -1.139 0.000 1.093 276 L CA -1.834 52.538 54.840 -0.778 0.000 0.801 276 L CB 0.231 41.706 42.059 -0.973 0.000 1.191 276 L HN 0.243 nan 8.230 nan 0.000 0.459 277 P HA -0.010 nan 4.420 nan 0.000 0.267 277 P C 0.168 177.005 177.300 -0.772 0.000 1.200 277 P CA 0.048 62.352 63.100 -1.327 0.000 0.772 277 P CB 0.719 31.869 31.700 -0.917 0.000 0.855 278 A N 2.682 125.198 122.820 -0.508 0.000 1.986 278 A HA -0.272 4.049 4.320 0.002 0.000 0.220 278 A C 2.195 179.319 177.584 -0.766 0.000 1.171 278 A CA 2.202 54.027 52.037 -0.352 0.000 0.640 278 A CB -1.875 17.040 19.000 -0.143 0.000 0.811 278 A HN 0.784 nan 8.150 nan 0.000 0.451 279 C N -1.817 116.871 119.300 -1.021 0.000 2.440 279 C HA 0.028 4.489 4.460 0.002 0.000 0.278 279 C C 2.346 177.025 174.990 -0.518 0.000 1.295 279 C CA 0.722 59.068 59.018 -1.121 0.000 1.738 279 C CB -1.666 25.740 27.740 -0.556 0.000 1.987 279 C HN 0.339 nan 8.230 nan 0.000 0.492 280 V N 0.684 120.285 119.914 -0.521 0.000 2.233 280 V HA -0.279 3.843 4.120 0.002 0.000 0.247 280 V C 2.492 178.401 176.094 -0.308 0.000 1.050 280 V CA 2.677 64.709 62.300 -0.446 0.000 1.010 280 V CB -1.347 30.088 31.823 -0.647 0.000 0.637 280 V HN 0.608 nan 8.190 nan 0.000 0.444 281 Y N 1.240 121.400 120.300 -0.234 0.000 2.207 281 Y HA -0.181 4.370 4.550 0.001 0.000 0.287 281 Y C 2.570 178.453 175.900 -0.029 0.000 1.156 281 Y CA 1.063 59.062 58.100 -0.169 0.000 1.182 281 Y CB -0.866 37.388 38.460 -0.344 0.000 0.979 281 Y HN 0.328 nan 8.280 nan 0.000 0.521 282 G N 0.263 109.095 108.800 0.052 0.000 2.484 282 G HA2 -0.295 3.666 3.960 0.002 0.000 0.215 282 G HA3 -0.295 3.666 3.960 0.002 0.000 0.215 282 G C 1.535 176.551 174.900 0.194 0.000 1.219 282 G CA 1.085 46.315 45.100 0.216 0.000 0.791 282 G HN 0.332 nan 8.290 nan 0.000 0.550 283 L N 1.454 122.744 121.223 0.111 0.000 2.127 283 L HA 0.054 4.395 4.340 0.002 0.000 0.211 283 L C 3.063 179.980 176.870 0.078 0.000 1.089 283 L CA 2.144 57.033 54.840 0.081 0.000 0.757 283 L CB -0.554 41.513 42.059 0.014 0.000 0.899 283 L HN 0.268 nan 8.230 nan 0.000 0.434 284 A N -1.084 121.793 122.820 0.094 0.000 1.883 284 A HA -0.190 4.131 4.320 0.002 0.000 0.217 284 A C 2.255 179.953 177.584 0.191 0.000 1.186 284 A CA 2.231 54.338 52.037 0.116 0.000 0.624 284 A CB -1.164 17.980 19.000 0.240 0.000 0.822 284 A HN 0.305 nan 8.150 nan 0.000 0.444 285 V N -0.295 119.790 119.914 0.285 0.000 2.427 285 V HA -0.201 3.920 4.120 0.002 0.000 0.248 285 V C 3.016 179.200 176.094 0.151 0.000 1.051 285 V CA 1.761 64.215 62.300 0.256 0.000 1.048 285 V CB -1.163 30.817 31.823 0.262 0.000 0.666 285 V HN 0.631 nan 8.190 nan 0.000 0.456 286 A N -0.158 122.740 122.820 0.129 0.000 1.902 286 A HA -0.187 4.134 4.320 0.002 0.000 0.217 286 A C 2.372 179.997 177.584 0.068 0.000 1.181 286 A CA 2.173 54.263 52.037 0.089 0.000 0.623 286 A CB -0.613 18.439 19.000 0.086 0.000 0.818 286 A HN 0.523 nan 8.150 nan 0.000 0.443 287 S N -1.572 114.167 115.700 0.064 0.000 2.555 287 S HA 0.325 4.796 4.470 0.002 0.000 0.230 287 S C 1.289 175.918 174.600 0.049 0.000 0.978 287 S CA 0.926 59.152 58.200 0.043 0.000 0.934 287 S CB 0.037 63.250 63.200 0.021 0.000 0.766 287 S HN 1.678 nan 8.310 nan 0.000 0.533 288 G N 0.336 109.178 108.800 0.069 0.000 2.143 288 G HA2 -0.239 3.722 3.960 0.002 0.000 0.175 288 G HA3 -0.239 3.722 3.960 0.002 0.000 0.175 288 G C -0.188 174.755 174.900 0.072 0.000 1.004 288 G CA -0.600 44.535 45.100 0.059 0.000 0.671 288 G HN 0.419 nan 8.290 nan 0.000 0.512 289 Y N 2.020 122.258 120.300 -0.104 0.000 2.442 289 Y HA 0.463 5.014 4.550 0.001 0.000 0.330 289 Y C 0.268 176.051 175.900 -0.196 0.000 1.129 289 Y CA -0.527 57.430 58.100 -0.238 0.000 1.365 289 Y CB 1.119 39.287 38.460 -0.486 0.000 1.233 289 Y HN 0.132 nan 8.280 nan 0.000 0.529 290 D N 5.770 125.883 120.400 -0.479 0.000 2.499 290 D HA 0.046 4.688 4.640 0.002 0.000 0.225 290 D C 0.465 176.470 176.300 -0.493 0.000 1.124 290 D CA -0.076 53.724 54.000 -0.333 0.000 0.938 290 D CB -0.322 40.345 40.800 -0.221 0.000 1.014 290 D HN 0.563 nan 8.370 nan 0.000 0.517 291 F N 1.299 121.064 119.950 -0.308 0.000 2.161 291 F HA -0.118 4.410 4.527 0.002 0.000 0.300 291 F C 2.371 178.069 175.800 -0.169 0.000 1.089 291 F CA 0.992 58.853 58.000 -0.232 0.000 1.282 291 F CB 0.164 39.109 39.000 -0.092 0.000 1.010 291 F HN 0.408 nan 8.300 nan 0.000 0.485 292 E N -0.005 120.210 120.200 0.026 0.000 2.152 292 E HA -0.175 4.176 4.350 0.002 0.000 0.192 292 E C 2.421 178.989 176.600 -0.053 0.000 0.983 292 E CA 0.423 56.815 56.400 -0.014 0.000 0.818 292 E CB 0.109 29.792 29.700 -0.028 0.000 0.758 292 E HN 0.171 nan 8.360 nan 0.000 0.467 293 R N 0.654 121.090 120.500 -0.108 0.000 2.070 293 R HA -0.105 4.236 4.340 0.002 0.000 0.233 293 R C 1.986 178.208 176.300 -0.131 0.000 1.137 293 R CA 1.257 57.282 56.100 -0.124 0.000 0.945 293 R CB -0.275 29.926 30.300 -0.164 0.000 0.845 293 R HN 0.245 nan 8.270 nan 0.000 0.430 294 E N -0.382 119.688 120.200 -0.217 0.000 2.230 294 E HA 0.099 4.450 4.350 0.002 0.000 0.192 294 E C 1.038 177.624 176.600 -0.023 0.000 0.987 294 E CA 0.648 56.942 56.400 -0.177 0.000 0.841 294 E CB -0.227 29.230 29.700 -0.406 0.000 0.783 294 E HN 0.406 nan 8.360 nan 0.000 0.481 295 G N 0.876 109.697 108.800 0.035 0.000 2.846 295 G HA2 -0.257 3.704 3.960 0.002 0.000 0.660 295 G HA3 -0.257 3.704 3.960 0.002 0.000 0.660 295 G C -1.089 173.988 174.900 0.294 0.000 1.464 295 G CA -0.072 45.104 45.100 0.127 0.000 0.891 295 G HN 0.204 nan 8.290 nan 0.000 0.552 296 Y N 0.046 120.406 120.300 0.100 0.000 2.588 296 Y HA 0.699 5.251 4.550 0.003 0.000 0.343 296 Y C 0.257 176.198 175.900 0.067 0.000 1.065 296 Y CA -0.050 58.127 58.100 0.127 0.000 1.038 296 Y CB 2.382 40.918 38.460 0.126 0.000 1.297 296 Y HN 1.588 nan 8.280 nan 0.000 0.467 297 S N 3.431 119.035 115.700 -0.159 0.000 2.540 297 S HA 0.429 4.900 4.470 0.002 0.000 0.275 297 S C -0.881 173.692 174.600 -0.044 0.000 1.123 297 S CA -0.872 57.314 58.200 -0.025 0.000 0.907 297 S CB 1.244 64.430 63.200 -0.022 0.000 1.081 297 S HN 0.502 nan 8.310 nan 0.000 0.476 298 L N 2.907 124.204 121.223 0.122 0.000 2.599 298 L HA 0.179 4.520 4.340 0.002 0.000 0.230 298 L C 1.632 178.586 176.870 0.141 0.000 1.141 298 L CA 0.645 55.592 54.840 0.178 0.000 0.877 298 L CB -1.528 40.665 42.059 0.224 0.000 1.009 298 L HN 0.857 nan 8.230 nan 0.000 0.447 299 V N -4.466 115.521 119.914 0.122 0.000 3.477 299 V HA 0.618 4.739 4.120 0.002 0.000 0.297 299 V C 1.036 177.256 176.094 0.209 0.000 1.433 299 V CA 0.294 62.697 62.300 0.172 0.000 1.052 299 V CB 0.160 32.079 31.823 0.160 0.000 0.895 299 V HN 0.168 nan 8.190 nan 0.000 0.438 300 G N 0.297 109.166 108.800 0.115 0.000 3.134 300 G HA2 0.452 4.414 3.960 0.002 0.000 0.158 300 G HA3 0.452 4.414 3.960 0.002 0.000 0.158 300 G C 0.601 175.429 174.900 -0.120 0.000 1.334 300 G CA 0.129 45.272 45.100 0.071 0.000 1.001 300 G HN 0.196 nan 8.290 nan 0.000 0.600 301 I N -0.045 120.177 120.570 -0.581 0.000 2.494 301 I HA 0.062 4.233 4.170 0.002 0.000 0.250 301 I C 2.023 177.889 176.117 -0.418 0.000 1.112 301 I CA 1.181 61.884 61.300 -0.996 0.000 1.438 301 I CB -0.091 37.076 38.000 -1.389 0.000 1.111 301 I HN 0.389 nan 8.210 nan 0.000 0.431 302 D N 2.027 122.199 120.400 -0.380 0.000 2.170 302 D HA -0.227 4.414 4.640 0.002 0.000 0.193 302 D C -0.765 175.424 176.300 -0.184 0.000 1.004 302 D CA 1.683 55.478 54.000 -0.340 0.000 0.860 302 D CB -2.183 38.228 40.800 -0.648 0.000 0.931 302 D HN 0.347 nan 8.370 nan 0.000 0.448 303 P HA -0.112 nan 4.420 nan 0.000 0.216 303 P C 1.199 178.496 177.300 -0.005 0.000 1.153 303 P CA 0.910 64.024 63.100 0.022 0.000 0.848 303 P CB -0.079 31.615 31.700 -0.010 0.000 0.787 304 F N -0.343 119.618 119.950 0.017 0.000 2.084 304 F HA -0.098 4.430 4.527 0.002 0.000 0.296 304 F C 2.678 178.463 175.800 -0.026 0.000 1.111 304 F CA 1.392 59.423 58.000 0.052 0.000 1.224 304 F CB -0.802 38.217 39.000 0.031 0.000 0.991 304 F HN -0.278 nan 8.300 nan 0.000 0.471 305 R N -0.004 120.537 120.500 0.069 0.000 2.134 305 R HA -0.257 4.084 4.340 0.002 0.000 0.248 305 R C 2.150 178.428 176.300 -0.035 0.000 1.143 305 R CA 1.908 57.990 56.100 -0.029 0.000 0.957 305 R CB -0.993 29.238 30.300 -0.114 0.000 0.867 305 R HN 0.221 nan 8.270 nan 0.000 0.441 306 L N 0.800 122.003 121.223 -0.033 0.000 2.017 306 L HA -0.159 4.182 4.340 0.002 0.000 0.208 306 L C 2.102 178.930 176.870 -0.069 0.000 1.073 306 L CA 1.616 56.421 54.840 -0.058 0.000 0.745 306 L CB -0.819 41.270 42.059 0.051 0.000 0.894 306 L HN 0.165 nan 8.230 nan 0.000 0.432 307 L N -0.514 120.680 121.223 -0.047 0.000 2.046 307 L HA -0.196 4.145 4.340 0.002 0.000 0.208 307 L C 2.683 179.556 176.870 0.004 0.000 1.077 307 L CA 1.458 56.271 54.840 -0.046 0.000 0.747 307 L CB -1.408 40.644 42.059 -0.011 0.000 0.896 307 L HN 0.419 nan 8.230 nan 0.000 0.432 308 Q N -0.013 119.814 119.800 0.045 0.000 2.062 308 Q HA -0.198 4.144 4.340 0.002 0.000 0.209 308 Q C 1.519 177.517 176.000 -0.004 0.000 0.996 308 Q CA 1.388 57.217 55.803 0.043 0.000 0.859 308 Q CB -0.491 28.278 28.738 0.051 0.000 0.920 308 Q HN 0.562 nan 8.270 nan 0.000 0.415 309 N N 0.170 118.849 118.700 -0.035 0.000 2.362 309 N HA 0.022 4.763 4.740 0.002 0.000 0.204 309 N C -0.380 175.089 175.510 -0.067 0.000 1.166 309 N CA 0.108 53.127 53.050 -0.052 0.000 0.831 309 N CB 0.549 38.990 38.487 -0.077 0.000 1.008 309 N HN -0.065 nan 8.380 nan 0.000 0.472 310 S N 0.520 116.175 115.700 -0.075 0.000 2.521 310 S HA 0.293 4.764 4.470 0.002 0.000 0.295 310 S C -0.840 173.685 174.600 -0.125 0.000 1.098 310 S CA -0.808 57.326 58.200 -0.109 0.000 0.999 310 S CB 1.308 64.421 63.200 -0.145 0.000 1.034 310 S HN 0.271 nan 8.310 nan 0.000 0.483 311 Q N 2.421 122.120 119.800 -0.168 0.000 2.293 311 Q HA 0.780 5.121 4.340 0.002 0.000 0.261 311 Q C -1.454 174.288 176.000 -0.430 0.000 0.960 311 Q CA -0.771 54.879 55.803 -0.256 0.000 0.882 311 Q CB 1.559 30.154 28.738 -0.239 0.000 1.275 311 Q HN 0.353 nan 8.270 nan 0.000 0.445 312 V N 4.365 124.015 119.914 -0.440 0.000 2.612 312 V HA 0.417 4.538 4.120 0.002 0.000 0.301 312 V C -1.012 174.868 176.094 -0.356 0.000 1.059 312 V CA -0.655 61.377 62.300 -0.448 0.000 0.886 312 V CB 1.267 32.936 31.823 -0.257 0.000 1.007 312 V HN 0.763 nan 8.190 nan 0.000 0.426 313 F N 2.179 122.138 119.950 0.014 0.000 2.371 313 F HA 0.710 5.237 4.527 0.001 0.000 0.329 313 F C 0.836 176.607 175.800 -0.048 0.000 1.107 313 F CA -0.201 57.802 58.000 0.005 0.000 1.137 313 F CB 1.656 40.688 39.000 0.053 0.000 1.214 313 F HN 0.469 nan 8.300 nan 0.000 0.536 314 S N 1.584 117.358 115.700 0.123 0.000 2.570 314 S HA 0.638 5.109 4.470 0.002 0.000 0.286 314 S C -0.918 173.595 174.600 -0.144 0.000 1.099 314 S CA -0.764 57.414 58.200 -0.036 0.000 0.913 314 S CB 0.960 64.149 63.200 -0.018 0.000 1.085 314 S HN 0.552 nan 8.310 nan 0.000 0.480 315 L N 3.915 124.956 121.223 -0.304 0.000 2.417 315 L HA 0.518 4.859 4.340 0.002 0.000 0.268 315 L C 0.051 176.811 176.870 -0.184 0.000 1.158 315 L CA -0.470 54.152 54.840 -0.362 0.000 0.819 315 L CB 0.885 42.630 42.059 -0.523 0.000 1.112 315 L HN 0.594 nan 8.230 nan 0.000 0.458 316 I N 1.311 121.804 120.570 -0.127 0.000 2.534 316 I HA 0.390 4.561 4.170 0.002 0.000 0.288 316 I C -0.441 175.654 176.117 -0.036 0.000 1.077 316 I CA -0.747 60.517 61.300 -0.061 0.000 1.051 316 I CB 1.752 39.736 38.000 -0.028 0.000 1.234 316 I HN 0.661 nan 8.210 nan 0.000 0.425 317 R N 7.344 127.831 120.500 -0.021 0.000 2.698 317 R HA 0.160 4.501 4.340 0.002 0.000 0.266 317 R C -1.358 174.949 176.300 0.011 0.000 1.026 317 R CA -0.716 55.384 56.100 -0.001 0.000 1.102 317 R CB 0.213 30.519 30.300 0.010 0.000 0.978 317 R HN 0.522 nan 8.270 nan 0.000 0.436 318 P HA -0.203 nan 4.420 nan 0.000 0.214 318 P C -0.147 177.166 177.300 0.021 0.000 1.163 318 P CA 1.535 64.648 63.100 0.021 0.000 0.889 318 P CB 0.109 31.824 31.700 0.024 0.000 0.790 319 N N 1.182 119.897 118.700 0.025 0.000 3.105 319 N HA 0.207 4.948 4.740 0.002 0.000 0.256 319 N C -0.238 175.296 175.510 0.040 0.000 1.174 319 N CA 0.201 53.269 53.050 0.030 0.000 1.030 319 N CB 0.427 38.934 38.487 0.032 0.000 1.305 319 N HN 0.296 nan 8.380 nan 0.000 0.509 320 E N 0.040 120.263 120.200 0.037 0.000 2.429 320 E HA 0.299 4.650 4.350 0.002 0.000 0.276 320 E C -1.173 175.449 176.600 0.038 0.000 0.953 320 E CA -0.802 55.629 56.400 0.052 0.000 0.787 320 E CB 2.087 31.811 29.700 0.039 0.000 1.307 320 E HN 0.100 nan 8.360 nan 0.000 0.458 321 N N 2.200 120.935 118.700 0.057 0.000 2.476 321 N HA 0.218 4.959 4.740 0.002 0.000 0.257 321 N C -1.994 173.479 175.510 -0.063 0.000 0.970 321 N CA -2.075 50.946 53.050 -0.049 0.000 0.938 321 N CB 1.538 39.916 38.487 -0.182 0.000 1.144 321 N HN 0.206 nan 8.380 nan 0.000 0.500 322 P HA -0.163 nan 4.420 nan 0.000 0.216 322 P C 1.010 178.282 177.300 -0.046 0.000 1.153 322 P CA 1.198 64.278 63.100 -0.033 0.000 0.858 322 P CB 0.251 31.934 31.700 -0.028 0.000 0.789 323 A N -0.027 122.716 122.820 -0.128 0.000 1.917 323 A HA -0.253 4.068 4.320 0.002 0.000 0.219 323 A C 2.093 179.656 177.584 -0.035 0.000 1.182 323 A CA 1.927 53.885 52.037 -0.130 0.000 0.633 323 A CB -1.990 16.871 19.000 -0.232 0.000 0.819 323 A HN 0.341 nan 8.150 nan 0.000 0.448 324 H N -1.729 117.354 119.070 0.022 0.000 2.436 324 H HA -0.022 4.535 4.556 0.002 0.000 0.294 324 H C 2.164 177.519 175.328 0.045 0.000 1.048 324 H CA 1.140 57.212 56.048 0.041 0.000 1.353 324 H CB 0.129 29.923 29.762 0.054 0.000 1.414 324 H HN 0.427 nan 8.280 nan 0.000 0.536 325 K N 0.962 121.449 120.400 0.145 0.000 2.032 325 K HA -0.127 4.195 4.320 0.002 0.000 0.209 325 K C 2.302 178.960 176.600 0.096 0.000 1.048 325 K CA 1.614 57.957 56.287 0.094 0.000 0.927 325 K CB -0.198 32.335 32.500 0.054 0.000 0.712 325 K HN 0.034 nan 8.250 nan 0.000 0.441 326 S N 0.576 116.325 115.700 0.081 0.000 2.365 326 S HA -0.260 4.211 4.470 0.002 0.000 0.225 326 S C 1.913 176.588 174.600 0.126 0.000 1.039 326 S CA 1.664 59.915 58.200 0.085 0.000 1.033 326 S CB -0.419 62.806 63.200 0.042 0.000 0.887 326 S HN 0.497 nan 8.310 nan 0.000 0.447 327 Q N 0.443 120.310 119.800 0.111 0.000 2.030 327 Q HA -0.170 4.171 4.340 0.002 0.000 0.204 327 Q C 2.265 178.368 176.000 0.170 0.000 0.986 327 Q CA 1.433 57.305 55.803 0.116 0.000 0.843 327 Q CB -0.319 28.478 28.738 0.099 0.000 0.904 327 Q HN 0.425 nan 8.270 nan 0.000 0.420 328 L N 0.418 121.720 121.223 0.133 0.000 2.043 328 L HA -0.180 4.161 4.340 0.002 0.000 0.212 328 L C 2.186 179.116 176.870 0.099 0.000 1.075 328 L CA 1.636 56.532 54.840 0.094 0.000 0.752 328 L CB -0.665 41.444 42.059 0.084 0.000 0.891 328 L HN 0.150 nan 8.230 nan 0.000 0.432 329 V N -1.842 118.158 119.914 0.143 0.000 2.488 329 V HA -0.248 3.873 4.120 0.002 0.000 0.246 329 V C 2.076 178.282 176.094 0.187 0.000 1.046 329 V CA 1.589 63.988 62.300 0.164 0.000 1.053 329 V CB -0.820 31.098 31.823 0.159 0.000 0.679 329 V HN 0.756 nan 8.190 nan 0.000 0.458 330 W N 0.319 121.635 121.300 0.027 0.000 2.358 330 W HA -0.209 4.452 4.660 0.002 0.000 0.303 330 W C 2.362 178.926 176.519 0.075 0.000 1.208 330 W CA 1.844 59.221 57.345 0.054 0.000 1.274 330 W CB -0.154 29.340 29.460 0.056 0.000 1.138 330 W HN 0.132 nan 8.180 nan 0.000 0.515 331 M N 0.442 120.255 119.600 0.355 0.000 2.080 331 M HA -0.244 4.237 4.480 0.002 0.000 0.260 331 M C 2.382 178.603 176.300 -0.132 0.000 1.068 331 M CA 2.187 57.515 55.300 0.046 0.000 1.109 331 M CB -1.142 31.420 32.600 -0.064 0.000 1.342 331 M HN 0.208 nan 8.290 nan 0.000 0.405 332 A N -0.551 122.232 122.820 -0.061 0.000 1.933 332 A HA -0.178 4.143 4.320 0.002 0.000 0.218 332 A C 2.206 179.762 177.584 -0.046 0.000 1.175 332 A CA 1.663 53.666 52.037 -0.056 0.000 0.628 332 A CB -1.201 17.790 19.000 -0.015 0.000 0.814 332 A HN 0.645 nan 8.150 nan 0.000 0.444 333 C N -1.630 117.591 119.300 -0.132 0.000 2.456 333 C HA 0.028 4.489 4.460 0.002 0.000 0.279 333 C C 1.554 176.084 174.990 -0.766 0.000 1.427 333 C CA 0.883 59.672 59.018 -0.382 0.000 1.778 333 C CB -1.641 25.778 27.740 -0.535 0.000 1.842 333 C HN 0.725 nan 8.230 nan 0.000 0.531 334 H N -0.749 118.069 119.070 -0.421 0.000 2.567 334 H HA 0.163 4.721 4.556 0.002 0.000 0.267 334 H C 0.935 176.147 175.328 -0.194 0.000 1.148 334 H CA 0.016 55.822 56.048 -0.402 0.000 1.031 334 H CB 0.080 29.421 29.762 -0.701 0.000 1.691 334 H HN 0.160 nan 8.280 nan 0.000 0.588 335 S N 0.511 116.176 115.700 -0.059 0.000 3.549 335 S HA -0.250 4.221 4.470 0.002 0.000 0.366 335 S C 1.221 175.857 174.600 0.061 0.000 1.012 335 S CA 0.505 58.726 58.200 0.035 0.000 1.141 335 S CB -1.285 62.007 63.200 0.153 0.000 0.910 335 S HN 0.729 nan 8.310 nan 0.000 0.471 336 A N -0.615 122.169 122.820 -0.061 0.000 2.387 336 A HA 0.693 5.014 4.320 0.002 0.000 0.234 336 A C 1.948 179.457 177.584 -0.124 0.000 1.253 336 A CA 0.842 52.847 52.037 -0.053 0.000 0.894 336 A CB -0.281 18.670 19.000 -0.080 0.000 0.963 336 A HN 0.995 nan 8.150 nan 0.000 0.508 337 A N -0.275 122.386 122.820 -0.265 0.000 1.978 337 A HA -0.024 4.297 4.320 0.002 0.000 0.220 337 A C 1.199 178.538 177.584 -0.409 0.000 1.170 337 A CA 1.300 53.027 52.037 -0.518 0.000 0.636 337 A CB -0.624 17.938 19.000 -0.729 0.000 0.810 337 A HN 0.563 nan 8.150 nan 0.000 0.448 338 F N -0.537 119.547 119.950 0.224 0.000 2.708 338 F HA 0.301 4.829 4.527 0.002 0.000 0.300 338 F C 0.629 176.557 175.800 0.214 0.000 1.118 338 F CA -0.564 57.599 58.000 0.273 0.000 1.307 338 F CB 0.501 39.655 39.000 0.257 0.000 0.986 338 F HN -0.015 nan 8.300 nan 0.000 0.522 339 E N 1.335 121.678 120.200 0.239 0.000 2.283 339 E HA 0.034 4.385 4.350 0.002 0.000 0.271 339 E C -0.534 176.156 176.600 0.149 0.000 1.031 339 E CA -0.327 56.174 56.400 0.167 0.000 0.868 339 E CB 0.881 30.637 29.700 0.094 0.000 1.094 339 E HN 0.008 nan 8.360 nan 0.000 0.401 340 D N 2.632 123.092 120.400 0.101 0.000 2.570 340 D HA -0.105 4.536 4.640 0.002 0.000 0.243 340 D C 1.220 177.508 176.300 -0.020 0.000 1.171 340 D CA 0.382 54.386 54.000 0.007 0.000 0.879 340 D CB 0.495 41.260 40.800 -0.059 0.000 1.143 340 D HN 0.400 nan 8.370 nan 0.000 0.511 341 L N 4.486 125.692 121.223 -0.028 0.000 2.127 341 L HA -0.211 4.130 4.340 0.002 0.000 0.211 341 L C 2.595 179.436 176.870 -0.048 0.000 1.089 341 L CA 0.980 55.816 54.840 -0.006 0.000 0.757 341 L CB -0.283 41.782 42.059 0.011 0.000 0.899 341 L HN 0.411 nan 8.230 nan 0.000 0.434 342 R N 0.026 120.419 120.500 -0.179 0.000 2.097 342 R HA -0.207 4.134 4.340 0.002 0.000 0.236 342 R C 2.331 178.554 176.300 -0.128 0.000 1.135 342 R CA 1.958 57.865 56.100 -0.322 0.000 0.934 342 R CB -1.339 28.457 30.300 -0.839 0.000 0.846 342 R HN 0.408 nan 8.270 nan 0.000 0.431 343 V N 0.090 119.938 119.914 -0.110 0.000 2.407 343 V HA -0.213 3.908 4.120 0.002 0.000 0.248 343 V C 2.069 178.331 176.094 0.280 0.000 1.055 343 V CA 2.284 64.713 62.300 0.216 0.000 1.049 343 V CB -0.310 31.604 31.823 0.151 0.000 0.662 343 V HN 0.216 nan 8.190 nan 0.000 0.455 344 S N 0.998 116.809 115.700 0.185 0.000 2.348 344 S HA -0.171 4.300 4.470 0.002 0.000 0.221 344 S C 2.139 176.826 174.600 0.146 0.000 1.033 344 S CA 1.959 60.309 58.200 0.250 0.000 1.010 344 S CB -0.546 62.782 63.200 0.213 0.000 0.891 344 S HN 0.781 nan 8.310 nan 0.000 0.442 345 S N 1.085 116.838 115.700 0.089 0.000 2.382 345 S HA -0.061 4.410 4.470 0.002 0.000 0.228 345 S C 1.527 176.206 174.600 0.132 0.000 1.027 345 S CA 1.013 59.236 58.200 0.039 0.000 0.991 345 S CB -0.439 62.793 63.200 0.052 0.000 0.823 345 S HN 0.521 nan 8.310 nan 0.000 0.469 346 F N 1.939 121.968 119.950 0.132 0.000 2.102 346 F HA -0.054 4.474 4.527 0.002 0.000 0.298 346 F C 1.836 177.780 175.800 0.239 0.000 1.105 346 F CA 0.962 59.091 58.000 0.214 0.000 1.239 346 F CB -0.443 38.766 39.000 0.347 0.000 0.991 346 F HN 0.072 nan 8.300 nan 0.000 0.474 347 I N -0.108 120.578 120.570 0.193 0.000 2.315 347 I HA -0.240 3.931 4.170 0.002 0.000 0.248 347 I C 2.644 178.803 176.117 0.071 0.000 1.117 347 I CA 0.944 62.341 61.300 0.162 0.000 1.404 347 I CB -0.487 37.708 38.000 0.325 0.000 1.071 347 I HN 0.015 nan 8.210 nan 0.000 0.419 348 R N 0.653 121.131 120.500 -0.036 0.000 2.066 348 R HA -0.088 4.254 4.340 0.002 0.000 0.232 348 R C 1.652 177.798 176.300 -0.257 0.000 1.131 348 R CA 1.501 57.414 56.100 -0.312 0.000 0.955 348 R CB -0.613 29.271 30.300 -0.694 0.000 0.851 348 R HN 0.484 nan 8.270 nan 0.000 0.432 349 G N -0.467 108.203 108.800 -0.216 0.000 2.179 349 G HA2 -0.239 3.722 3.960 0.002 0.000 0.220 349 G HA3 -0.239 3.722 3.960 0.002 0.000 0.220 349 G C 0.217 175.023 174.900 -0.157 0.000 0.990 349 G CA 0.674 45.650 45.100 -0.206 0.000 0.646 349 G HN 0.691 nan 8.290 nan 0.000 0.517 350 T N -2.769 111.684 114.554 -0.169 0.000 2.864 350 T HA 0.689 5.040 4.350 0.002 0.000 0.299 350 T C -0.321 174.320 174.700 -0.099 0.000 1.166 350 T CA -0.394 61.633 62.100 -0.121 0.000 1.007 350 T CB 2.292 71.080 68.868 -0.134 0.000 1.219 350 T HN 0.544 nan 8.240 nan 0.000 0.506 351 R N 1.353 121.827 120.500 -0.042 0.000 2.370 351 R HA 0.483 4.824 4.340 0.002 0.000 0.309 351 R C -0.476 175.811 176.300 -0.022 0.000 1.059 351 R CA -0.344 55.749 56.100 -0.011 0.000 0.981 351 R CB -0.004 30.313 30.300 0.027 0.000 0.972 351 R HN 0.592 nan 8.270 nan 0.000 0.437 352 V N 7.369 127.259 119.914 -0.040 0.000 2.470 352 V HA 0.147 4.268 4.120 0.002 0.000 0.276 352 V C 0.677 176.802 176.094 0.050 0.000 1.040 352 V CA -0.104 62.182 62.300 -0.024 0.000 1.008 352 V CB 0.749 32.534 31.823 -0.063 0.000 0.990 352 V HN 0.677 nan 8.190 nan 0.000 0.477 353 I N 7.814 128.437 120.570 0.090 0.000 2.428 353 I HA 0.352 4.523 4.170 0.002 0.000 0.296 353 I C -1.907 174.288 176.117 0.130 0.000 0.985 353 I CA -2.140 59.210 61.300 0.083 0.000 1.260 353 I CB 1.793 39.823 38.000 0.050 0.000 1.389 353 I HN 0.421 nan 8.210 nan 0.000 0.484 354 P HA -0.087 nan 4.420 nan 0.000 0.267 354 P C 0.171 177.209 177.300 -0.436 0.000 1.195 354 P CA -0.047 62.960 63.100 -0.156 0.000 0.773 354 P CB 0.601 32.211 31.700 -0.150 0.000 0.837 355 R N 2.705 122.616 120.500 -0.982 0.000 2.075 355 R HA -0.056 4.285 4.340 0.002 0.000 0.232 355 R C 2.262 178.274 176.300 -0.480 0.000 1.126 355 R CA 2.295 57.742 56.100 -1.089 0.000 0.963 355 R CB -1.541 27.800 30.300 -1.599 0.000 0.858 355 R HN 0.659 nan 8.270 nan 0.000 0.435 356 G N -0.571 108.020 108.800 -0.348 0.000 2.679 356 G HA2 -0.158 3.803 3.960 0.002 0.000 0.212 356 G HA3 -0.158 3.803 3.960 0.002 0.000 0.212 356 G C 0.914 175.685 174.900 -0.215 0.000 1.137 356 G CA 0.190 45.163 45.100 -0.210 0.000 0.787 356 G HN 0.443 nan 8.290 nan 0.000 0.534 357 Q N -0.881 118.753 119.800 -0.276 0.000 2.352 357 Q HA 0.225 4.566 4.340 0.002 0.000 0.212 357 Q C 0.114 175.947 176.000 -0.278 0.000 0.888 357 Q CA -0.531 55.066 55.803 -0.343 0.000 0.934 357 Q CB 0.509 28.983 28.738 -0.440 0.000 1.093 357 Q HN 0.229 nan 8.270 nan 0.000 0.523 358 L N 0.964 122.019 121.223 -0.281 0.000 2.514 358 L HA -0.026 4.315 4.340 0.002 0.000 0.280 358 L C 0.853 177.637 176.870 -0.144 0.000 1.223 358 L CA 0.841 55.474 54.840 -0.345 0.000 0.864 358 L CB 0.990 42.933 42.059 -0.192 0.000 1.118 358 L HN -0.077 nan 8.230 nan 0.000 0.494 359 S N 1.337 117.036 115.700 -0.001 0.000 2.519 359 S HA 0.245 4.716 4.470 0.002 0.000 0.245 359 S C 0.105 174.807 174.600 0.169 0.000 1.152 359 S CA -0.118 58.207 58.200 0.209 0.000 1.175 359 S CB -0.416 63.024 63.200 0.399 0.000 0.829 359 S HN 0.791 nan 8.310 nan 0.000 0.472 360 T N 0.441 115.050 114.554 0.092 0.000 2.894 360 T HA 0.521 4.872 4.350 0.002 0.000 0.309 360 T C -0.514 174.204 174.700 0.030 0.000 1.208 360 T CA -0.693 61.449 62.100 0.070 0.000 1.016 360 T CB 1.210 70.130 68.868 0.087 0.000 1.192 360 T HN 0.284 nan 8.240 nan 0.000 0.491 361 R N 0.550 121.065 120.500 0.026 0.000 2.740 361 R HA 0.668 5.009 4.340 0.002 0.000 0.223 361 R C 0.852 177.143 176.300 -0.016 0.000 1.362 361 R CA -0.572 55.535 56.100 0.013 0.000 1.069 361 R CB 0.112 30.439 30.300 0.046 0.000 1.739 361 R HN 0.795 nan 8.270 nan 0.000 0.533 362 G N -0.267 108.523 108.800 -0.017 0.000 2.647 362 G HA2 0.029 3.990 3.960 0.002 0.000 0.234 362 G HA3 0.029 3.990 3.960 0.002 0.000 0.234 362 G C 0.981 175.881 174.900 0.000 0.000 1.252 362 G CA -0.530 44.545 45.100 -0.043 0.000 0.846 362 G HN 0.263 nan 8.290 nan 0.000 0.589 363 V N 0.977 120.888 119.914 -0.004 0.000 2.358 363 V HA -0.092 4.029 4.120 0.002 0.000 0.246 363 V C 1.774 177.878 176.094 0.016 0.000 1.047 363 V CA 1.618 63.925 62.300 0.012 0.000 1.035 363 V CB -0.658 31.189 31.823 0.039 0.000 0.658 363 V HN 0.667 nan 8.190 nan 0.000 0.452 364 Q N 0.050 119.881 119.800 0.052 0.000 2.373 364 Q HA 0.353 4.694 4.340 0.002 0.000 0.255 364 Q C -1.087 174.949 176.000 0.060 0.000 0.980 364 Q CA -0.156 55.688 55.803 0.068 0.000 0.882 364 Q CB 1.196 29.992 28.738 0.096 0.000 1.249 364 Q HN 0.306 nan 8.270 nan 0.000 0.438 365 I N 1.699 122.310 120.570 0.068 0.000 2.371 365 I HA 0.230 4.401 4.170 0.002 0.000 0.282 365 I C 0.041 176.227 176.117 0.116 0.000 1.031 365 I CA -0.224 61.120 61.300 0.073 0.000 1.180 365 I CB 1.193 39.213 38.000 0.033 0.000 1.336 365 I HN 0.616 nan 8.210 nan 0.000 0.467 366 A N 4.311 127.183 122.820 0.087 0.000 2.540 366 A HA 0.301 4.622 4.320 0.002 0.000 0.239 366 A C 0.847 178.479 177.584 0.080 0.000 1.061 366 A CA -0.134 51.948 52.037 0.075 0.000 0.758 366 A CB -0.048 18.985 19.000 0.054 0.000 0.991 366 A HN 0.807 nan 8.150 nan 0.000 0.502 367 S N 3.029 118.772 115.700 0.073 0.000 3.024 367 S HA 0.179 4.650 4.470 0.002 0.000 0.316 367 S C 0.402 175.032 174.600 0.051 0.000 1.197 367 S CA -0.120 58.121 58.200 0.068 0.000 1.097 367 S CB -0.539 62.693 63.200 0.052 0.000 1.471 367 S HN 0.775 nan 8.310 nan 0.000 0.543 368 N N 1.722 120.455 118.700 0.054 0.000 3.132 368 N HA -0.017 4.724 4.740 0.002 0.000 0.292 368 N C -0.716 174.823 175.510 0.047 0.000 0.904 368 N CA -0.185 52.891 53.050 0.043 0.000 1.334 368 N CB 0.071 38.581 38.487 0.038 0.000 1.159 368 N HN 0.773 nan 8.380 nan 0.000 1.241 369 E N 4.000 124.230 120.200 0.050 0.000 2.585 369 E HA -0.035 4.317 4.350 0.002 0.000 0.252 369 E C -0.156 176.484 176.600 0.066 0.000 0.981 369 E CA 0.128 56.559 56.400 0.052 0.000 0.943 369 E CB -0.094 29.634 29.700 0.047 0.000 0.923 369 E HN 0.288 nan 8.360 nan 0.000 0.486 370 N N 2.703 121.441 118.700 0.065 0.000 2.294 370 N HA -0.051 4.690 4.740 0.002 0.000 0.275 370 N C 0.284 175.851 175.510 0.096 0.000 1.291 370 N CA -0.518 52.581 53.050 0.081 0.000 0.933 370 N CB 0.207 38.736 38.487 0.071 0.000 1.096 370 N HN 0.350 nan 8.380 nan 0.000 0.525 371 V N -0.875 119.112 119.914 0.121 0.000 3.166 371 V HA 0.121 4.242 4.120 0.002 0.000 0.332 371 V C 1.547 177.733 176.094 0.153 0.000 1.434 371 V CA 0.065 62.452 62.300 0.144 0.000 1.121 371 V CB -0.399 31.557 31.823 0.221 0.000 1.062 371 V HN 0.762 nan 8.190 nan 0.000 0.489 372 E N 2.521 122.789 120.200 0.114 0.000 2.152 372 E HA -0.098 4.253 4.350 0.002 0.000 0.192 372 E C 2.033 178.687 176.600 0.090 0.000 0.983 372 E CA 1.921 58.380 56.400 0.098 0.000 0.818 372 E CB -0.052 29.690 29.700 0.070 0.000 0.758 372 E HN 0.482 nan 8.360 nan 0.000 0.467 373 A N 0.804 123.669 122.820 0.075 0.000 1.854 373 A HA 0.086 4.407 4.320 0.002 0.000 0.214 373 A C 1.287 178.911 177.584 0.066 0.000 1.192 373 A CA 0.920 52.993 52.037 0.060 0.000 0.611 373 A CB -0.487 18.541 19.000 0.046 0.000 0.832 373 A HN 0.336 nan 8.150 nan 0.000 0.442 374 M N 1.686 121.323 119.600 0.062 0.000 2.248 374 M HA 0.109 4.590 4.480 0.002 0.000 0.345 374 M C -0.870 175.482 176.300 0.086 0.000 1.243 374 M CA 0.077 55.396 55.300 0.032 0.000 1.090 374 M CB 0.150 32.729 32.600 -0.036 0.000 1.683 374 M HN 0.260 nan 8.290 nan 0.000 0.450 375 D N 0.642 121.076 120.400 0.058 0.000 2.442 375 D HA 0.557 5.198 4.640 0.002 0.000 0.254 375 D C -0.277 176.027 176.300 0.007 0.000 1.069 375 D CA -0.474 53.597 54.000 0.120 0.000 1.017 375 D CB 1.263 42.116 40.800 0.089 0.000 1.172 375 D HN 0.597 nan 8.370 nan 0.000 0.561 376 S N -1.121 114.634 115.700 0.093 0.000 2.704 376 S HA 0.803 5.274 4.470 0.002 0.000 0.305 376 S C -0.463 174.157 174.600 0.033 0.000 1.107 376 S CA -0.580 57.605 58.200 -0.025 0.000 0.993 376 S CB 1.716 64.922 63.200 0.010 0.000 1.110 376 S HN 0.294 nan 8.310 nan 0.000 0.534 377 S N -0.088 115.643 115.700 0.052 0.000 2.537 377 S HA 0.528 5.000 4.470 0.002 0.000 0.271 377 S C -0.942 173.789 174.600 0.218 0.000 1.148 377 S CA -0.640 57.615 58.200 0.091 0.000 0.868 377 S CB 1.355 64.584 63.200 0.049 0.000 1.115 377 S HN 0.903 nan 8.310 nan 0.000 0.461 378 T N 4.205 118.923 114.554 0.274 0.000 2.928 378 T HA 0.297 4.648 4.350 0.002 0.000 0.305 378 T C -0.028 174.752 174.700 0.134 0.000 1.035 378 T CA 0.114 62.397 62.100 0.306 0.000 1.145 378 T CB -0.128 68.887 68.868 0.246 0.000 0.963 378 T HN 0.457 nan 8.240 nan 0.000 0.545 379 L N 2.793 124.064 121.223 0.080 0.000 2.312 379 L HA 0.380 4.721 4.340 0.002 0.000 0.281 379 L C 0.620 177.513 176.870 0.039 0.000 1.070 379 L CA -0.788 54.081 54.840 0.050 0.000 0.805 379 L CB 1.075 43.157 42.059 0.038 0.000 1.174 379 L HN 0.535 nan 8.230 nan 0.000 0.434 380 E N 3.590 123.813 120.200 0.038 0.000 1.936 380 E HA 0.206 4.557 4.350 0.002 0.000 0.267 380 E C -0.028 176.607 176.600 0.058 0.000 1.076 380 E CA 0.160 56.575 56.400 0.025 0.000 0.870 380 E CB 0.214 29.908 29.700 -0.010 0.000 1.093 380 E HN 0.476 nan 8.360 nan 0.000 0.411 381 L N 3.542 124.829 121.223 0.107 0.000 2.769 381 L HA 0.344 4.686 4.340 0.002 0.000 0.240 381 L C 0.825 177.892 176.870 0.328 0.000 1.163 381 L CA -0.284 54.716 54.840 0.266 0.000 0.962 381 L CB 0.062 42.223 42.059 0.171 0.000 1.258 381 L HN 0.176 nan 8.230 nan 0.000 0.513 382 R N 0.249 120.847 120.500 0.163 0.000 2.637 382 R HA 0.417 4.758 4.340 0.002 0.000 0.269 382 R C -0.195 176.214 176.300 0.183 0.000 1.089 382 R CA -0.019 56.176 56.100 0.159 0.000 1.177 382 R CB 1.038 31.375 30.300 0.061 0.000 1.091 382 R HN 0.006 nan 8.270 nan 0.000 0.540 383 S N 0.084 115.925 115.700 0.235 0.000 2.599 383 S HA 0.289 4.760 4.470 0.002 0.000 0.287 383 S C 0.357 174.976 174.600 0.033 0.000 1.105 383 S CA -0.981 57.345 58.200 0.210 0.000 0.899 383 S CB 2.403 65.932 63.200 0.549 0.000 1.100 383 S HN 0.631 nan 8.310 nan 0.000 0.482 384 R N 0.521 120.939 120.500 -0.136 0.000 2.062 384 R HA 0.175 4.516 4.340 0.002 0.000 0.226 384 R C -0.405 175.618 176.300 -0.462 0.000 1.125 384 R CA 1.413 57.281 56.100 -0.388 0.000 0.966 384 R CB -0.270 29.647 30.300 -0.638 0.000 0.861 384 R HN 0.716 nan 8.270 nan 0.000 0.433 385 Y N -0.945 119.296 120.300 -0.099 0.000 2.631 385 Y HA 0.392 4.943 4.550 0.002 0.000 0.328 385 Y C -0.178 175.631 175.900 -0.152 0.000 1.118 385 Y CA -1.334 56.682 58.100 -0.140 0.000 1.206 385 Y CB 1.064 39.355 38.460 -0.281 0.000 1.337 385 Y HN 0.097 nan 8.280 nan 0.000 0.515 386 W N 0.166 121.308 121.300 -0.265 0.000 2.882 386 W HA 0.912 5.573 4.660 0.002 0.000 0.345 386 W C -1.875 174.390 176.519 -0.424 0.000 1.125 386 W CA -1.542 55.227 57.345 -0.960 0.000 1.167 386 W CB 1.162 29.869 29.460 -1.254 0.000 1.431 386 W HN 0.697 nan 8.180 nan 0.000 0.543 387 A N 1.978 124.601 122.820 -0.329 0.000 2.593 387 A HA 0.763 5.084 4.320 0.002 0.000 0.290 387 A C -1.632 176.068 177.584 0.193 0.000 1.126 387 A CA -1.083 50.836 52.037 -0.196 0.000 0.695 387 A CB 1.649 20.561 19.000 -0.147 0.000 1.290 387 A HN 0.607 nan 8.150 nan 0.000 0.414 388 I N 0.952 121.599 120.570 0.129 0.000 2.342 388 I HA 0.331 4.503 4.170 0.002 0.000 0.291 388 I C 0.192 176.401 176.117 0.152 0.000 1.010 388 I CA -0.595 60.857 61.300 0.253 0.000 1.308 388 I CB 1.310 39.438 38.000 0.214 0.000 1.400 388 I HN 0.584 nan 8.210 nan 0.000 0.488 389 R N 4.065 124.688 120.500 0.206 0.000 2.316 389 R HA 0.185 4.526 4.340 0.002 0.000 0.314 389 R C 0.092 176.466 176.300 0.124 0.000 1.069 389 R CA -0.059 56.127 56.100 0.142 0.000 0.959 389 R CB 0.511 30.930 30.300 0.198 0.000 0.987 389 R HN 0.689 nan 8.270 nan 0.000 0.446 390 T N -0.544 114.047 114.554 0.061 0.000 2.881 390 T HA 0.295 4.646 4.350 0.002 0.000 0.278 390 T C 0.721 175.581 174.700 0.267 0.000 0.982 390 T CA -0.848 61.336 62.100 0.140 0.000 0.989 390 T CB 1.585 70.529 68.868 0.128 0.000 1.058 390 T HN 0.527 nan 8.240 nan 0.000 0.529 391 R N 0.322 120.974 120.500 0.255 0.000 2.596 391 R HA 0.262 4.603 4.340 0.002 0.000 0.369 391 R C 0.385 176.822 176.300 0.229 0.000 1.042 391 R CA -0.265 55.980 56.100 0.242 0.000 1.120 391 R CB 0.225 30.622 30.300 0.162 0.000 1.353 391 R HN 0.683 nan 8.270 nan 0.000 0.564 392 S N -2.106 113.765 115.700 0.285 0.000 2.719 392 S HA 0.590 5.062 4.470 0.002 0.000 0.285 392 S C 0.756 175.525 174.600 0.280 0.000 1.137 392 S CA 0.032 58.390 58.200 0.264 0.000 1.012 392 S CB 1.500 64.897 63.200 0.329 0.000 1.134 392 S HN 0.305 nan 8.310 nan 0.000 0.544 393 G N -1.165 107.743 108.800 0.180 0.000 3.815 393 G HA2 0.543 4.504 3.960 0.002 0.000 0.265 393 G HA3 0.543 4.504 3.960 0.002 0.000 0.265 393 G C 0.654 175.577 174.900 0.039 0.000 1.026 393 G CA 0.447 45.642 45.100 0.159 0.000 0.868 393 G HN 1.544 nan 8.290 nan 0.000 0.476 394 G N 0.344 109.031 108.800 -0.188 0.000 2.445 394 G HA2 -0.183 3.778 3.960 0.002 0.000 0.212 394 G HA3 -0.183 3.778 3.960 0.002 0.000 0.212 394 G C -0.862 173.870 174.900 -0.281 0.000 1.217 394 G CA -0.479 44.355 45.100 -0.444 0.000 1.002 394 G HN 0.390 nan 8.290 nan 0.000 0.574 395 N N 0.802 119.384 118.700 -0.197 0.000 2.443 395 N HA 0.738 5.479 4.740 0.002 0.000 0.293 395 N C -0.798 174.677 175.510 -0.058 0.000 1.159 395 N CA 0.453 53.434 53.050 -0.114 0.000 0.904 395 N CB 1.883 40.307 38.487 -0.104 0.000 1.214 395 N HN 1.179 nan 8.380 nan 0.000 0.513 396 T N -1.123 113.408 114.554 -0.038 0.000 4.328 396 T HA 0.315 4.666 4.350 0.002 0.000 0.356 396 T C -0.729 173.961 174.700 -0.018 0.000 0.889 396 T CA -1.042 61.045 62.100 -0.021 0.000 0.998 396 T CB 0.242 69.106 68.868 -0.007 0.000 1.122 396 T HN 0.807 nan 8.240 nan 0.000 0.467 397 N N 1.768 120.457 118.700 -0.018 0.000 3.631 397 N HA 0.445 5.186 4.740 0.002 0.000 0.366 397 N C -0.283 175.219 175.510 -0.014 0.000 1.369 397 N CA -0.664 52.377 53.050 -0.015 0.000 0.757 397 N CB 0.526 39.004 38.487 -0.014 0.000 2.886 397 N HN 0.621 nan 8.380 nan 0.000 0.480 398 Q N -0.208 119.584 119.800 -0.012 0.000 7.710 398 Q HA 0.128 4.470 4.340 0.002 0.000 0.364 398 Q C -1.444 174.551 176.000 -0.009 0.000 0.922 398 Q CA 0.737 56.533 55.803 -0.010 0.000 0.565 398 Q CB -0.213 28.519 28.738 -0.009 0.000 0.267 398 Q HN 0.651 nan 8.270 nan 0.000 0.872 399 Q N 0.954 120.749 119.800 -0.009 0.000 2.377 399 Q HA 0.668 5.009 4.340 0.002 0.000 0.271 399 Q C -0.697 175.298 176.000 -0.009 0.000 1.077 399 Q CA -1.066 54.732 55.803 -0.008 0.000 0.820 399 Q CB 1.881 30.615 28.738 -0.008 0.000 1.347 399 Q HN 0.186 nan 8.270 nan 0.000 0.444 400 R N 0.425 120.920 120.500 -0.008 0.000 3.073 400 R HA 0.201 4.542 4.340 0.002 0.000 0.290 400 R C -0.119 176.175 176.300 -0.010 0.000 1.130 400 R CA 0.005 56.100 56.100 -0.008 0.000 1.186 400 R CB -0.145 30.151 30.300 -0.006 0.000 1.166 400 R HN 0.767 nan 8.270 nan 0.000 0.563 401 A N 1.383 124.197 122.820 -0.011 0.000 2.526 401 A HA 0.056 4.377 4.320 0.002 0.000 0.267 401 A C -0.092 177.485 177.584 -0.012 0.000 1.095 401 A CA 0.141 52.170 52.037 -0.013 0.000 0.775 401 A CB -0.377 18.615 19.000 -0.014 0.000 1.036 401 A HN 0.536 nan 8.150 nan 0.000 0.510 402 S N 2.678 118.370 115.700 -0.012 0.000 2.414 402 S HA 0.376 4.847 4.470 0.002 0.000 0.290 402 S C 1.025 175.619 174.600 -0.010 0.000 1.160 402 S CA 0.012 58.206 58.200 -0.010 0.000 1.069 402 S CB 1.186 64.381 63.200 -0.009 0.000 1.012 402 S HN 1.046 nan 8.310 nan 0.000 0.510 403 A N 3.170 125.985 122.820 -0.007 0.000 2.308 403 A HA 0.505 4.826 4.320 0.002 0.000 0.217 403 A C 1.227 178.808 177.584 -0.004 0.000 1.216 403 A CA -0.108 51.924 52.037 -0.008 0.000 0.864 403 A CB -0.305 18.691 19.000 -0.007 0.000 0.902 403 A HN 0.803 nan 8.150 nan 0.000 0.499 404 G N -0.275 108.524 108.800 -0.001 0.000 2.491 404 G HA2 0.317 4.278 3.960 0.002 0.000 0.238 404 G HA3 0.317 4.278 3.960 0.002 0.000 0.238 404 G C 0.077 174.981 174.900 0.006 0.000 1.277 404 G CA -0.191 44.911 45.100 0.003 0.000 0.851 404 G HN 0.560 nan 8.290 nan 0.000 0.573 405 Q N 0.036 119.842 119.800 0.010 0.000 2.454 405 Q HA 0.317 4.658 4.340 0.002 0.000 0.247 405 Q C 0.252 176.267 176.000 0.025 0.000 1.028 405 Q CA -0.060 55.752 55.803 0.015 0.000 0.910 405 Q CB 0.502 29.250 28.738 0.017 0.000 1.276 405 Q HN 0.506 nan 8.270 nan 0.000 0.489 406 I N 0.591 121.183 120.570 0.037 0.000 4.765 406 I HA 0.129 4.300 4.170 0.002 0.000 0.349 406 I C -0.168 176.006 176.117 0.095 0.000 1.278 406 I CA 0.010 61.345 61.300 0.057 0.000 1.331 406 I CB 1.347 39.379 38.000 0.053 0.000 1.570 406 I HN 0.550 nan 8.210 nan 0.000 0.538 407 S N -0.758 114.992 115.700 0.083 0.000 2.688 407 S HA 0.693 5.164 4.470 0.002 0.000 0.275 407 S C -1.693 172.954 174.600 0.078 0.000 1.175 407 S CA -0.428 57.841 58.200 0.114 0.000 0.818 407 S CB 1.887 65.157 63.200 0.117 0.000 1.157 407 S HN -0.193 nan 8.310 nan 0.000 0.482 408 V N 1.706 121.672 119.914 0.086 0.000 2.769 408 V HA 0.691 4.812 4.120 0.002 0.000 0.312 408 V C -1.108 175.010 176.094 0.041 0.000 1.061 408 V CA -0.430 61.907 62.300 0.063 0.000 0.931 408 V CB 1.985 33.855 31.823 0.078 0.000 1.010 408 V HN 0.900 nan 8.190 nan 0.000 0.433 409 Q N 5.374 125.185 119.800 0.018 0.000 2.339 409 Q HA 0.527 4.868 4.340 0.002 0.000 0.268 409 Q C -2.564 173.422 176.000 -0.023 0.000 1.027 409 Q CA -1.495 54.305 55.803 -0.005 0.000 0.759 409 Q CB 1.881 30.607 28.738 -0.021 0.000 1.244 409 Q HN 0.539 nan 8.270 nan 0.000 0.464 410 P HA 0.101 nan 4.420 nan 0.000 0.271 410 P C -0.399 176.831 177.300 -0.118 0.000 1.220 410 P CA -0.086 63.000 63.100 -0.023 0.000 0.768 410 P CB 1.602 33.307 31.700 0.009 0.000 0.848 411 T N 1.385 115.783 114.554 -0.260 0.000 3.033 411 T HA 0.159 4.510 4.350 0.002 0.000 0.248 411 T C 0.409 174.756 174.700 -0.588 0.000 1.040 411 T CA 0.814 62.569 62.100 -0.575 0.000 1.133 411 T CB -0.141 68.088 68.868 -1.065 0.000 0.895 411 T HN 0.275 nan 8.240 nan 0.000 0.465 412 F N 0.872 120.827 119.950 0.009 0.000 2.507 412 F HA 0.559 5.087 4.527 0.002 0.000 0.327 412 F C 0.727 176.532 175.800 0.008 0.000 1.068 412 F CA -1.358 56.647 58.000 0.008 0.000 0.965 412 F CB 1.290 40.294 39.000 0.007 0.000 1.192 412 F HN -0.244 nan 8.300 nan 0.000 0.476 413 S N 1.877 117.697 115.700 0.200 0.000 3.530 413 S HA 0.504 4.975 4.470 0.002 0.000 0.279 413 S C -0.797 173.868 174.600 0.108 0.000 1.280 413 S CA -0.266 58.002 58.200 0.115 0.000 0.946 413 S CB -0.771 62.476 63.200 0.078 0.000 1.501 413 S HN 0.392 nan 8.310 nan 0.000 0.498 414 V N 4.939 124.919 119.914 0.110 0.000 2.686 414 V HA 0.376 4.497 4.120 0.002 0.000 0.306 414 V C 0.006 176.134 176.094 0.057 0.000 1.065 414 V CA -0.978 61.364 62.300 0.070 0.000 0.894 414 V CB 1.963 33.822 31.823 0.061 0.000 1.004 414 V HN 0.612 nan 8.190 nan 0.000 0.424 415 Q N 4.551 124.374 119.800 0.038 0.000 2.297 415 Q HA 0.488 4.829 4.340 0.002 0.000 0.267 415 Q C -0.667 175.351 176.000 0.031 0.000 1.006 415 Q CA -0.003 55.819 55.803 0.033 0.000 0.896 415 Q CB 0.603 29.355 28.738 0.023 0.000 1.186 415 Q HN 0.842 nan 8.270 nan 0.000 0.392 416 R N 1.040 121.561 120.500 0.035 0.000 3.033 416 R HA 0.157 4.498 4.340 0.002 0.000 0.284 416 R C -1.411 174.912 176.300 0.039 0.000 0.997 416 R CA -0.608 55.512 56.100 0.034 0.000 0.851 416 R CB -0.519 29.805 30.300 0.039 0.000 1.297 416 R HN 0.802 nan 8.270 nan 0.000 0.518 417 N N 0.712 119.432 118.700 0.034 0.000 2.399 417 N HA 0.441 5.182 4.740 0.002 0.000 0.250 417 N C -0.680 174.865 175.510 0.057 0.000 1.272 417 N CA -0.842 52.232 53.050 0.041 0.000 0.928 417 N CB 0.914 39.413 38.487 0.020 0.000 1.158 417 N HN 0.491 nan 8.380 nan 0.000 0.463 418 L N 0.582 121.858 121.223 0.089 0.000 2.324 418 L HA 0.462 4.803 4.340 0.002 0.000 0.274 418 L C -2.187 174.786 176.870 0.172 0.000 1.012 418 L CA -2.004 52.908 54.840 0.120 0.000 0.859 418 L CB 1.159 43.296 42.059 0.130 0.000 1.224 418 L HN 0.526 nan 8.230 nan 0.000 0.429 419 P HA 0.185 nan 4.420 nan 0.000 0.269 419 P C -0.938 176.476 177.300 0.191 0.000 1.211 419 P CA 0.233 63.356 63.100 0.038 0.000 0.781 419 P CB 0.372 32.088 31.700 0.027 0.000 0.877 420 F N -2.568 117.393 119.950 0.018 0.000 2.765 420 F HA 0.288 4.816 4.527 0.002 0.000 0.313 420 F C -1.056 174.757 175.800 0.021 0.000 1.136 420 F CA -1.089 56.923 58.000 0.021 0.000 0.952 420 F CB 0.718 39.734 39.000 0.026 0.000 1.268 420 F HN -0.005 nan 8.300 nan 0.000 0.441 421 E N 3.255 123.602 120.200 0.245 0.000 1.775 421 E HA 0.107 4.458 4.350 0.002 0.000 0.266 421 E C 1.249 177.981 176.600 0.220 0.000 1.191 421 E CA 0.024 56.503 56.400 0.132 0.000 1.048 421 E CB 0.518 30.274 29.700 0.093 0.000 1.081 421 E HN 0.759 nan 8.360 nan 0.000 0.434 422 R N 1.996 122.575 120.500 0.131 0.000 2.134 422 R HA -0.291 4.050 4.340 0.002 0.000 0.248 422 R C 1.603 178.016 176.300 0.188 0.000 1.143 422 R CA 2.092 58.332 56.100 0.233 0.000 0.957 422 R CB 0.035 30.338 30.300 0.006 0.000 0.867 422 R HN 0.398 nan 8.270 nan 0.000 0.441 423 A N -0.307 122.573 122.820 0.100 0.000 1.874 423 A HA -0.122 4.199 4.320 0.002 0.000 0.214 423 A C 2.210 179.845 177.584 0.085 0.000 1.189 423 A CA 1.891 53.977 52.037 0.082 0.000 0.615 423 A CB -0.858 18.169 19.000 0.046 0.000 0.830 423 A HN 0.641 nan 8.150 nan 0.000 0.443 424 T N -2.099 112.501 114.554 0.075 0.000 2.995 424 T HA -0.023 4.328 4.350 0.002 0.000 0.269 424 T C 1.696 176.432 174.700 0.060 0.000 1.091 424 T CA 1.198 63.330 62.100 0.053 0.000 1.128 424 T CB -0.332 68.558 68.868 0.036 0.000 0.891 424 T HN 0.167 nan 8.240 nan 0.000 0.492 425 I N 0.993 121.630 120.570 0.111 0.000 2.233 425 I HA 0.024 4.195 4.170 0.002 0.000 0.243 425 I C 2.492 178.720 176.117 0.184 0.000 1.093 425 I CA 1.092 62.465 61.300 0.123 0.000 1.380 425 I CB -0.992 37.122 38.000 0.191 0.000 1.067 425 I HN 0.266 nan 8.210 nan 0.000 0.413 426 M N 0.713 120.443 119.600 0.217 0.000 2.229 426 M HA -0.056 4.425 4.480 0.002 0.000 0.264 426 M C 2.426 178.845 176.300 0.198 0.000 1.063 426 M CA 1.382 56.834 55.300 0.253 0.000 1.114 426 M CB -1.500 31.201 32.600 0.168 0.000 1.387 426 M HN 0.219 nan 8.290 nan 0.000 0.420 427 A N 0.093 122.982 122.820 0.115 0.000 2.019 427 A HA 0.075 4.397 4.320 0.002 0.000 0.219 427 A C 2.356 179.959 177.584 0.033 0.000 1.164 427 A CA 1.657 53.737 52.037 0.071 0.000 0.644 427 A CB -0.709 18.318 19.000 0.044 0.000 0.805 427 A HN 0.470 nan 8.150 nan 0.000 0.449 428 A N -1.643 121.160 122.820 -0.029 0.000 2.121 428 A HA 0.133 4.454 4.320 0.002 0.000 0.218 428 A C 1.508 178.928 177.584 -0.274 0.000 1.154 428 A CA 0.815 52.738 52.037 -0.190 0.000 0.679 428 A CB -0.597 18.206 19.000 -0.328 0.000 0.795 428 A HN 0.490 nan 8.150 nan 0.000 0.458 429 F N -0.309 119.644 119.950 0.005 0.000 2.693 429 F HA 0.235 4.763 4.527 0.002 0.000 0.303 429 F C 0.949 176.754 175.800 0.008 0.000 1.097 429 F CA 0.178 58.178 58.000 0.001 0.000 1.330 429 F CB 0.312 39.310 39.000 -0.002 0.000 1.067 429 F HN -0.042 nan 8.300 nan 0.000 0.565 430 K N 0.059 120.541 120.400 0.135 0.000 2.201 430 K HA 0.425 4.746 4.320 0.002 0.000 0.278 430 K C 0.961 177.609 176.600 0.081 0.000 1.027 430 K CA 0.379 56.730 56.287 0.106 0.000 0.909 430 K CB 1.015 33.566 32.500 0.085 0.000 1.062 430 K HN 0.238 nan 8.250 nan 0.000 0.465 431 G N 2.641 111.495 108.800 0.090 0.000 2.160 431 G HA2 -0.296 3.665 3.960 0.002 0.000 0.251 431 G HA3 -0.296 3.665 3.960 0.002 0.000 0.251 431 G C -0.245 174.676 174.900 0.036 0.000 1.008 431 G CA 0.125 45.282 45.100 0.094 0.000 0.724 431 G HN 0.811 nan 8.290 nan 0.000 0.514 432 N N -0.037 118.690 118.700 0.045 0.000 2.453 432 N HA 0.463 5.204 4.740 0.002 0.000 0.253 432 N C -0.074 175.440 175.510 0.008 0.000 1.252 432 N CA 0.968 54.032 53.050 0.023 0.000 0.917 432 N CB 0.704 39.237 38.487 0.077 0.000 1.117 432 N HN 0.192 nan 8.380 nan 0.000 0.442 433 T N 0.065 114.609 114.554 -0.017 0.000 2.868 433 T HA 0.112 4.463 4.350 0.002 0.000 0.306 433 T C 0.042 174.728 174.700 -0.023 0.000 1.224 433 T CA -0.587 61.497 62.100 -0.027 0.000 1.012 433 T CB 1.430 70.256 68.868 -0.069 0.000 1.221 433 T HN 0.379 nan 8.240 nan 0.000 0.499 434 E N 0.774 120.963 120.200 -0.018 0.000 2.502 434 E HA 0.154 4.505 4.350 0.002 0.000 0.194 434 E C 0.928 177.513 176.600 -0.025 0.000 1.062 434 E CA 0.091 56.482 56.400 -0.015 0.000 0.867 434 E CB 0.122 29.817 29.700 -0.008 0.000 0.888 434 E HN 0.655 nan 8.360 nan 0.000 0.510 435 G N 0.881 109.658 108.800 -0.038 0.000 2.552 435 G HA2 0.196 4.158 3.960 0.002 0.000 0.324 435 G HA3 0.196 4.158 3.960 0.002 0.000 0.324 435 G C 0.744 175.610 174.900 -0.057 0.000 1.217 435 G CA -0.641 44.432 45.100 -0.046 0.000 0.989 435 G HN 0.035 nan 8.290 nan 0.000 0.490 436 R N -0.951 119.516 120.500 -0.054 0.000 2.339 436 R HA -0.041 4.300 4.340 0.002 0.000 0.199 436 R C 0.927 177.182 176.300 -0.075 0.000 1.018 436 R CA 1.451 57.517 56.100 -0.057 0.000 1.036 436 R CB -0.773 29.499 30.300 -0.046 0.000 0.899 436 R HN 0.454 nan 8.270 nan 0.000 0.473 437 T N -3.020 111.475 114.554 -0.099 0.000 3.186 437 T HA 0.086 4.437 4.350 0.002 0.000 0.257 437 T C 1.442 176.042 174.700 -0.166 0.000 1.029 437 T CA 0.208 62.225 62.100 -0.139 0.000 0.916 437 T CB 0.525 69.283 68.868 -0.183 0.000 1.041 437 T HN 0.159 nan 8.240 nan 0.000 0.562 438 S N 2.918 118.544 115.700 -0.123 0.000 2.354 438 S HA -0.207 4.264 4.470 0.002 0.000 0.219 438 S C 1.763 176.294 174.600 -0.115 0.000 1.035 438 S CA 2.211 60.342 58.200 -0.114 0.000 1.037 438 S CB -0.607 62.550 63.200 -0.073 0.000 0.956 438 S HN 0.847 nan 8.310 nan 0.000 0.428 439 D N -0.058 120.283 120.400 -0.098 0.000 2.323 439 D HA 0.031 4.672 4.640 0.002 0.000 0.209 439 D C 1.835 178.082 176.300 -0.088 0.000 0.973 439 D CA 0.387 54.332 54.000 -0.091 0.000 0.874 439 D CB -0.280 40.468 40.800 -0.087 0.000 0.930 439 D HN 0.287 nan 8.370 nan 0.000 0.521 440 M N 0.543 120.080 119.600 -0.104 0.000 2.132 440 M HA 0.036 4.517 4.480 0.002 0.000 0.263 440 M C 2.069 178.293 176.300 -0.126 0.000 1.065 440 M CA 1.145 56.381 55.300 -0.105 0.000 1.122 440 M CB -0.554 31.980 32.600 -0.110 0.000 1.365 440 M HN 0.076 nan 8.290 nan 0.000 0.411 441 R N -0.885 119.481 120.500 -0.223 0.000 2.070 441 R HA -0.113 4.228 4.340 0.002 0.000 0.233 441 R C 2.197 178.489 176.300 -0.013 0.000 1.137 441 R CA 1.960 57.876 56.100 -0.307 0.000 0.945 441 R CB -0.941 29.028 30.300 -0.552 0.000 0.845 441 R HN 0.316 nan 8.270 nan 0.000 0.430 442 T N 0.818 115.349 114.554 -0.039 0.000 2.699 442 T HA -0.209 4.142 4.350 0.002 0.000 0.268 442 T C 1.659 176.365 174.700 0.010 0.000 1.036 442 T CA 1.816 63.916 62.100 0.000 0.000 1.147 442 T CB -0.231 68.611 68.868 -0.043 0.000 0.862 442 T HN 0.267 nan 8.240 nan 0.000 0.446 443 E N 0.848 121.040 120.200 -0.013 0.000 2.058 443 E HA -0.126 4.225 4.350 0.002 0.000 0.194 443 E C 1.962 178.569 176.600 0.012 0.000 0.997 443 E CA 1.031 57.424 56.400 -0.013 0.000 0.801 443 E CB -0.435 29.246 29.700 -0.031 0.000 0.746 443 E HN 0.307 nan 8.360 nan 0.000 0.450 444 I N 1.285 121.884 120.570 0.047 0.000 2.113 444 I HA -0.272 3.899 4.170 0.002 0.000 0.238 444 I C 2.413 178.570 176.117 0.066 0.000 1.070 444 I CA 1.034 62.378 61.300 0.072 0.000 1.332 444 I CB -1.413 36.708 38.000 0.201 0.000 1.044 444 I HN 0.197 nan 8.210 nan 0.000 0.402 445 I N 0.266 120.909 120.570 0.122 0.000 2.143 445 I HA -0.364 3.807 4.170 0.002 0.000 0.245 445 I C 2.713 178.852 176.117 0.035 0.000 1.068 445 I CA 1.594 62.941 61.300 0.078 0.000 1.326 445 I CB -1.040 37.028 38.000 0.113 0.000 1.028 445 I HN 0.381 nan 8.210 nan 0.000 0.412 446 R N 0.724 121.241 120.500 0.029 0.000 2.075 446 R HA -0.156 4.185 4.340 0.002 0.000 0.230 446 R C 2.444 178.747 176.300 0.005 0.000 1.140 446 R CA 1.637 57.745 56.100 0.013 0.000 0.928 446 R CB -0.249 30.052 30.300 0.002 0.000 0.834 446 R HN 0.267 nan 8.270 nan 0.000 0.429 447 M N -0.067 119.533 119.600 0.001 0.000 2.195 447 M HA -0.247 4.234 4.480 0.002 0.000 0.260 447 M C 2.396 178.691 176.300 -0.009 0.000 1.066 447 M CA 1.740 57.036 55.300 -0.007 0.000 1.089 447 M CB -0.187 32.405 32.600 -0.013 0.000 1.377 447 M HN 0.282 nan 8.290 nan 0.000 0.411 448 M N -0.588 119.007 119.600 -0.009 0.000 2.099 448 M HA -0.197 4.284 4.480 0.002 0.000 0.262 448 M C 2.115 178.408 176.300 -0.011 0.000 1.067 448 M CA 1.622 56.911 55.300 -0.018 0.000 1.124 448 M CB -0.438 32.140 32.600 -0.036 0.000 1.353 448 M HN 0.129 nan 8.290 nan 0.000 0.410 449 E N 0.604 120.802 120.200 -0.003 0.000 2.118 449 E HA -0.151 4.200 4.350 0.002 0.000 0.195 449 E C 1.699 178.300 176.600 0.002 0.000 0.992 449 E CA 2.164 58.565 56.400 0.002 0.000 0.804 449 E CB -0.242 29.463 29.700 0.009 0.000 0.741 449 E HN 0.328 nan 8.360 nan 0.000 0.458 450 S N 0.658 116.359 115.700 0.001 0.000 2.372 450 S HA -0.159 4.312 4.470 0.002 0.000 0.227 450 S C 1.111 175.711 174.600 -0.000 0.000 1.044 450 S CA 0.871 59.072 58.200 0.000 0.000 1.050 450 S CB -0.792 62.406 63.200 -0.003 0.000 0.901 450 S HN 0.600 nan 8.310 nan 0.000 0.447 451 A N 2.005 124.824 122.820 -0.002 0.000 2.429 451 A HA 0.464 4.785 4.320 0.002 0.000 0.242 451 A C 0.524 178.111 177.584 0.005 0.000 1.088 451 A CA 0.227 52.264 52.037 0.000 0.000 0.784 451 A CB 0.241 19.241 19.000 -0.001 0.000 1.038 451 A HN 0.271 nan 8.150 nan 0.000 0.501 452 R N 0.159 120.664 120.500 0.008 0.000 2.626 452 R HA 0.338 4.679 4.340 0.002 0.000 0.274 452 R C -2.694 173.618 176.300 0.020 0.000 1.031 452 R CA -2.070 54.038 56.100 0.013 0.000 0.898 452 R CB 0.947 31.253 30.300 0.010 0.000 1.222 452 R HN 0.356 nan 8.270 nan 0.000 0.455 453 P HA -0.139 nan 4.420 nan 0.000 0.231 453 P C 0.418 177.738 177.300 0.032 0.000 1.154 453 P CA 1.231 64.355 63.100 0.039 0.000 0.762 453 P CB 0.389 32.115 31.700 0.044 0.000 0.790 454 E N -1.813 118.401 120.200 0.024 0.000 3.029 454 E HA 0.060 4.411 4.350 0.002 0.000 0.196 454 E C -0.999 175.611 176.600 0.017 0.000 0.973 454 E CA -0.169 56.244 56.400 0.022 0.000 1.242 454 E CB -0.597 29.113 29.700 0.018 0.000 1.056 454 E HN 0.098 nan 8.360 nan 0.000 0.469 455 D N 2.509 122.917 120.400 0.013 0.000 2.382 455 D HA 0.073 4.714 4.640 0.002 0.000 0.259 455 D C 1.011 177.315 176.300 0.007 0.000 1.224 455 D CA 0.022 54.025 54.000 0.004 0.000 0.894 455 D CB 1.724 42.522 40.800 -0.003 0.000 1.127 455 D HN 0.122 nan 8.370 nan 0.000 0.487 456 V N 0.938 120.856 119.914 0.007 0.000 2.843 456 V HA 0.372 4.493 4.120 0.002 0.000 0.305 456 V C 0.445 176.533 176.094 -0.010 0.000 1.065 456 V CA -0.399 61.912 62.300 0.018 0.000 1.116 456 V CB 0.935 32.769 31.823 0.019 0.000 0.968 456 V HN 0.431 nan 8.190 nan 0.000 0.487 457 S N 2.011 117.716 115.700 0.008 0.000 2.599 457 S HA 0.794 5.265 4.470 0.002 0.000 0.287 457 S C -0.468 174.139 174.600 0.011 0.000 1.105 457 S CA -0.562 57.556 58.200 -0.138 0.000 0.899 457 S CB 1.197 64.209 63.200 -0.313 0.000 1.100 457 S HN 0.984 nan 8.310 nan 0.000 0.482 458 F N -0.934 119.022 119.950 0.011 0.000 2.988 458 F HA -0.188 4.340 4.527 0.002 0.000 0.287 458 F C 0.642 176.435 175.800 -0.012 0.000 0.781 458 F CA 0.337 58.339 58.000 0.003 0.000 1.221 458 F CB -1.629 37.371 39.000 0.001 0.000 1.392 458 F HN 0.654 nan 8.300 nan 0.000 0.425 459 Q N 1.249 121.098 119.800 0.082 0.000 2.264 459 Q HA 0.349 4.690 4.340 0.002 0.000 0.296 459 Q C 1.220 177.243 176.000 0.037 0.000 1.103 459 Q CA 1.645 57.475 55.803 0.045 0.000 0.967 459 Q CB 0.540 29.284 28.738 0.010 0.000 1.090 459 Q HN 0.749 nan 8.270 nan 0.000 0.379 460 G N 3.809 112.618 108.800 0.015 0.000 2.424 460 G HA2 -0.266 3.695 3.960 0.002 0.000 0.207 460 G HA3 -0.266 3.695 3.960 0.002 0.000 0.207 460 G C -0.156 174.727 174.900 -0.029 0.000 1.061 460 G CA -0.138 44.958 45.100 -0.007 0.000 0.657 460 G HN 0.623 nan 8.290 nan 0.000 0.508 461 R N 1.725 122.229 120.500 0.005 0.000 2.449 461 R HA 0.483 4.824 4.340 0.002 0.000 0.296 461 R C 0.929 177.126 176.300 -0.172 0.000 1.047 461 R CA 0.907 56.979 56.100 -0.046 0.000 1.018 461 R CB 0.821 31.138 30.300 0.028 0.000 0.962 461 R HN 0.525 nan 8.270 nan 0.000 0.428 462 G N 1.309 109.906 108.800 -0.338 0.000 3.075 462 G HA2 0.532 4.493 3.960 0.002 0.000 0.253 462 G HA3 0.532 4.493 3.960 0.002 0.000 0.253 462 G C -0.359 174.041 174.900 -0.833 0.000 1.353 462 G CA -0.601 44.201 45.100 -0.495 0.000 1.051 462 G HN 0.459 nan 8.290 nan 0.000 0.553 463 V N -2.999 116.425 119.914 -0.816 0.000 3.513 463 V HA 0.867 4.988 4.120 0.002 0.000 0.297 463 V C -0.754 174.524 176.094 -1.360 0.000 1.058 463 V CA -1.052 60.677 62.300 -0.951 0.000 1.003 463 V CB 1.096 32.573 31.823 -0.577 0.000 1.236 463 V HN 0.469 nan 8.190 nan 0.000 0.436 464 F N -1.169 118.365 119.950 -0.692 0.000 2.578 464 F HA 0.509 5.037 4.527 0.002 0.000 0.311 464 F C 0.253 175.917 175.800 -0.227 0.000 1.094 464 F CA -0.792 56.822 58.000 -0.643 0.000 0.923 464 F CB 1.791 40.045 39.000 -1.243 0.000 1.230 464 F HN 0.485 nan 8.300 nan 0.000 0.450 465 E N 2.605 122.935 120.200 0.216 0.000 2.392 465 E HA 0.092 4.443 4.350 0.002 0.000 0.264 465 E C 0.830 177.658 176.600 0.380 0.000 1.024 465 E CA 0.110 56.682 56.400 0.286 0.000 0.903 465 E CB 1.159 30.983 29.700 0.207 0.000 0.963 465 E HN 0.692 nan 8.360 nan 0.000 0.432 466 L N 2.061 123.484 121.223 0.334 0.000 2.093 466 L HA -0.237 4.105 4.340 0.002 0.000 0.208 466 L C 2.580 179.562 176.870 0.187 0.000 1.085 466 L CA 1.401 56.430 54.840 0.316 0.000 0.755 466 L CB -0.463 41.700 42.059 0.173 0.000 0.904 466 L HN 0.547 nan 8.230 nan 0.000 0.435 467 S N -0.792 114.992 115.700 0.140 0.000 2.359 467 S HA -0.264 4.207 4.470 0.002 0.000 0.222 467 S C 1.190 175.861 174.600 0.120 0.000 1.038 467 S CA 1.042 59.300 58.200 0.097 0.000 1.051 467 S CB -0.743 62.501 63.200 0.073 0.000 0.944 467 S HN 0.436 nan 8.310 nan 0.000 0.433 468 D N 2.512 123.013 120.400 0.168 0.000 2.497 468 D HA -0.016 4.625 4.640 0.002 0.000 0.285 468 D C 0.959 177.389 176.300 0.216 0.000 1.452 468 D CA 0.267 54.368 54.000 0.168 0.000 1.132 468 D CB 0.069 40.985 40.800 0.194 0.000 1.132 468 D HN 0.406 nan 8.370 nan 0.000 0.555 469 E N 2.788 123.048 120.200 0.099 0.000 2.158 469 E HA -0.076 4.275 4.350 0.002 0.000 0.191 469 E C 0.905 177.522 176.600 0.029 0.000 0.982 469 E CA 0.815 57.236 56.400 0.035 0.000 0.823 469 E CB 0.374 30.066 29.700 -0.014 0.000 0.766 469 E HN 0.524 nan 8.360 nan 0.000 0.468 470 K N 0.024 120.426 120.400 0.004 0.000 3.730 470 K HA 0.336 4.657 4.320 0.002 0.000 0.166 470 K C 0.615 177.087 176.600 -0.213 0.000 1.148 470 K CA 0.514 56.772 56.287 -0.049 0.000 1.638 470 K CB 0.271 32.748 32.500 -0.038 0.000 2.264 470 K HN -0.102 nan 8.250 nan 0.000 0.518 471 A N 0.847 123.520 122.820 -0.245 0.000 3.045 471 A HA 0.217 4.538 4.320 0.002 0.000 0.244 471 A C 0.485 178.029 177.584 -0.067 0.000 0.917 471 A CA -0.504 51.251 52.037 -0.470 0.000 1.075 471 A CB -0.379 18.435 19.000 -0.309 0.000 1.202 471 A HN 0.452 nan 8.150 nan 0.000 0.486 472 T N 0.820 115.363 114.554 -0.018 0.000 2.555 472 T HA -0.097 4.254 4.350 0.002 0.000 0.264 472 T C 0.728 175.501 174.700 0.121 0.000 1.083 472 T CA 1.322 63.456 62.100 0.057 0.000 1.179 472 T CB -0.242 68.660 68.868 0.055 0.000 0.863 472 T HN 0.561 nan 8.240 nan 0.000 0.412 473 N N 2.547 121.357 118.700 0.184 0.000 2.564 473 N HA 0.329 5.070 4.740 0.002 0.000 0.248 473 N C -3.129 172.452 175.510 0.119 0.000 0.986 473 N CA -1.305 51.822 53.050 0.129 0.000 0.921 473 N CB 1.899 40.426 38.487 0.067 0.000 1.136 473 N HN 0.209 nan 8.380 nan 0.000 0.509 474 P HA 0.266 nan 4.420 nan 0.000 0.276 474 P C -0.296 176.787 177.300 -0.362 0.000 1.230 474 P CA -0.242 62.608 63.100 -0.416 0.000 0.776 474 P CB 0.915 32.468 31.700 -0.245 0.000 0.888 475 I N 3.769 124.037 120.570 -0.503 0.000 2.371 475 I HA 0.188 4.359 4.170 0.002 0.000 0.282 475 I C -0.061 175.846 176.117 -0.350 0.000 1.031 475 I CA -0.900 60.177 61.300 -0.373 0.000 1.180 475 I CB 0.931 38.663 38.000 -0.446 0.000 1.336 475 I HN 0.011 nan 8.210 nan 0.000 0.467 476 V N 8.460 128.202 119.914 -0.287 0.000 2.488 476 V HA 0.303 4.424 4.120 0.002 0.000 0.277 476 V C -1.709 174.146 176.094 -0.397 0.000 1.046 476 V CA -0.992 61.129 62.300 -0.298 0.000 0.986 476 V CB 0.677 32.370 31.823 -0.217 0.000 0.989 476 V HN 0.617 nan 8.190 nan 0.000 0.475 477 P HA 0.375 nan 4.420 nan 0.000 0.292 477 P C -0.755 175.897 177.300 -1.080 0.000 1.283 477 P CA -0.472 61.944 63.100 -1.140 0.000 0.835 477 P CB 1.648 32.059 31.700 -2.150 0.000 1.017 478 S N 1.897 117.090 115.700 -0.845 0.000 2.442 478 S HA 0.497 4.968 4.470 0.002 0.000 0.297 478 S C -0.433 173.906 174.600 -0.435 0.000 1.131 478 S CA -0.540 57.357 58.200 -0.506 0.000 1.092 478 S CB -0.352 62.690 63.200 -0.263 0.000 0.998 478 S HN 0.395 nan 8.310 nan 0.000 0.478 479 F N 1.987 121.850 119.950 -0.146 0.000 2.814 479 F HA 0.201 4.729 4.527 0.002 0.000 0.326 479 F C 0.453 176.206 175.800 -0.079 0.000 1.159 479 F CA -0.746 57.176 58.000 -0.131 0.000 1.234 479 F CB 0.660 39.572 39.000 -0.147 0.000 1.016 479 F HN 0.545 nan 8.300 nan 0.000 0.510 480 D N 1.644 122.105 120.400 0.102 0.000 2.767 480 D HA 0.007 4.648 4.640 0.002 0.000 0.231 480 D C 0.780 177.123 176.300 0.072 0.000 1.105 480 D CA 0.229 54.266 54.000 0.062 0.000 1.024 480 D CB 0.722 41.538 40.800 0.026 0.000 1.123 480 D HN 0.238 nan 8.370 nan 0.000 0.470 481 M N 0.220 119.894 119.600 0.122 0.000 2.318 481 M HA 0.098 4.579 4.480 0.002 0.000 0.214 481 M C 1.514 177.865 176.300 0.085 0.000 0.679 481 M CA -0.445 54.935 55.300 0.133 0.000 1.859 481 M CB 0.930 33.693 32.600 0.272 0.000 1.117 481 M HN 0.098 nan 8.290 nan 0.000 0.903 482 S N 0.052 115.807 115.700 0.091 0.000 2.432 482 S HA -0.004 4.467 4.470 0.002 0.000 0.203 482 S C 1.477 176.098 174.600 0.035 0.000 0.987 482 S CA 0.492 58.727 58.200 0.060 0.000 0.908 482 S CB -0.334 62.907 63.200 0.067 0.000 0.883 482 S HN 0.585 nan 8.310 nan 0.000 0.577 483 N N 1.084 119.802 118.700 0.029 0.000 2.036 483 N HA -0.203 4.538 4.740 0.002 0.000 0.199 483 N C 0.608 176.100 175.510 -0.030 0.000 1.036 483 N CA 2.062 55.110 53.050 -0.002 0.000 0.870 483 N CB -0.388 38.089 38.487 -0.017 0.000 1.055 483 N HN 0.363 nan 8.380 nan 0.000 0.436 484 E N -2.174 117.992 120.200 -0.057 0.000 3.991 484 E HA -0.176 4.175 4.350 0.002 0.000 0.331 484 E C 0.322 176.855 176.600 -0.111 0.000 0.628 484 E CA 1.389 57.744 56.400 -0.075 0.000 1.192 484 E CB -1.846 27.833 29.700 -0.035 0.000 1.683 484 E HN 0.530 nan 8.360 nan 0.000 0.416 485 G N -0.527 108.207 108.800 -0.110 0.000 2.371 485 G HA2 0.458 4.419 3.960 0.002 0.000 0.326 485 G HA3 0.458 4.419 3.960 0.002 0.000 0.326 485 G C 0.633 175.414 174.900 -0.199 0.000 1.127 485 G CA 0.342 45.358 45.100 -0.139 0.000 0.885 485 G HN 0.026 nan 8.290 nan 0.000 0.477 486 S N 0.053 115.545 115.700 -0.347 0.000 2.599 486 S HA 0.196 4.667 4.470 0.002 0.000 0.236 486 S C -0.115 174.318 174.600 -0.278 0.000 1.077 486 S CA 0.159 58.103 58.200 -0.427 0.000 0.906 486 S CB 0.101 62.942 63.200 -0.600 0.000 0.804 486 S HN 0.578 nan 8.310 nan 0.000 0.497 487 Y N 0.624 120.970 120.300 0.077 0.000 2.320 487 Y HA 0.371 4.922 4.550 0.002 0.000 0.334 487 Y C 0.800 176.792 175.900 0.153 0.000 1.055 487 Y CA -1.077 57.110 58.100 0.144 0.000 1.143 487 Y CB 0.437 38.982 38.460 0.141 0.000 1.193 487 Y HN 0.036 nan 8.280 nan 0.000 0.477 488 F N 1.861 121.907 119.950 0.159 0.000 2.134 488 F HA -0.103 4.425 4.527 0.002 0.000 0.299 488 F C 0.673 176.316 175.800 -0.263 0.000 1.097 488 F CA 1.245 59.175 58.000 -0.116 0.000 1.264 488 F CB -0.103 38.748 39.000 -0.248 0.000 1.001 488 F HN 0.424 nan 8.300 nan 0.000 0.479 489 F N 0.144 120.137 119.950 0.071 0.000 2.983 489 F HA 0.397 4.925 4.527 0.001 0.000 0.307 489 F C 1.015 176.820 175.800 0.009 0.000 1.218 489 F CA -0.134 57.836 58.000 -0.050 0.000 1.323 489 F CB -0.367 38.666 39.000 0.055 0.000 0.989 489 F HN -0.051 nan 8.300 nan 0.000 0.509 490 G N -0.729 108.166 108.800 0.159 0.000 2.782 490 G HA2 0.398 4.359 3.960 0.002 0.000 0.201 490 G HA3 0.398 4.359 3.960 0.002 0.000 0.201 490 G C -0.731 174.209 174.900 0.065 0.000 1.374 490 G CA -0.468 44.720 45.100 0.146 0.000 1.039 490 G HN 0.088 nan 8.290 nan 0.000 0.576 491 D N -0.422 120.016 120.400 0.064 0.000 2.523 491 D HA 0.262 4.903 4.640 0.002 0.000 0.236 491 D C -0.495 175.810 176.300 0.008 0.000 1.094 491 D CA -0.604 53.407 54.000 0.019 0.000 0.942 491 D CB 1.420 42.231 40.800 0.018 0.000 1.447 491 D HN 0.144 nan 8.370 nan 0.000 0.479 492 N N -0.162 118.526 118.700 -0.019 0.000 2.235 492 N HA 0.359 5.100 4.740 0.002 0.000 0.231 492 N C 0.479 175.980 175.510 -0.015 0.000 1.330 492 N CA 0.047 53.077 53.050 -0.033 0.000 0.898 492 N CB 0.660 39.116 38.487 -0.052 0.000 1.151 492 N HN 0.655 nan 8.380 nan 0.000 0.472 493 A N -1.662 121.145 122.820 -0.022 0.000 2.127 493 A HA -0.011 4.310 4.320 0.002 0.000 0.175 493 A C -0.954 176.623 177.584 -0.013 0.000 2.115 493 A CA -0.010 52.020 52.037 -0.011 0.000 1.590 493 A CB -0.232 18.766 19.000 -0.004 0.000 1.457 493 A HN 0.633 nan 8.150 nan 0.000 0.310 494 E N 0.918 121.106 120.200 -0.020 0.000 2.335 494 E HA 0.540 4.891 4.350 0.002 0.000 0.280 494 E C -1.703 174.880 176.600 -0.028 0.000 0.918 494 E CA -0.539 55.854 56.400 -0.013 0.000 0.765 494 E CB 1.435 31.134 29.700 -0.001 0.000 1.218 494 E HN 0.218 nan 8.360 nan 0.000 0.425 495 E N 2.292 122.479 120.200 -0.021 0.000 2.166 495 E HA 0.377 4.728 4.350 0.002 0.000 0.275 495 E C -0.719 175.892 176.600 0.018 0.000 0.941 495 E CA -0.618 55.729 56.400 -0.089 0.000 0.784 495 E CB 1.042 30.671 29.700 -0.119 0.000 1.115 495 E HN 0.547 nan 8.360 nan 0.000 0.399 496 Y N 0.000 120.293 120.300 -0.012 0.000 2.660 496 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 496 Y CA 0.000 58.100 58.100 -0.000 0.000 1.940 496 Y CB 0.000 38.472 38.460 0.020 0.000 1.050 496 Y HN 0.000 nan 8.280 nan 0.000 0.758