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 1e3c_1_P DATA FIRST_RESID 19 DATA SEQUENCE RPPNIVLIFA DDLGYGDLGC YGHPSSTTPN LDQLAAGGLR FTDFYVPVSL DATA SEQUENCE STPSRAALLT GRLPVRMGMY PGVLVPSSRG GLPLEEVTVA EVLAARGYLT DATA SEQUENCE GMAGKWHLGV GPEGAFLPPH QGFHRFLGIP YSHDQGPcQN LTcFPPATPc DATA SEQUENCE DGGcDQGLVP IPLLANLSVE AQPPWLPGLE ARYMAFAHDL MADAQREDRP DATA SEQUENCE FFLYYASHHT HYPQFSGQSF AERSGRGPFG DSLMELDAAV GTLMTAIGDL DATA SEQUENCE GLLEETLVIF TADNGPETMR MSRGGCSGLL RcGKGTTYEG GVREPALAFW DATA SEQUENCE PGHIAPGVTH ELASSLDLLP TLAALAGAPL PNVTLDGFDL SPLLLGTGKS DATA SEQUENCE PRQSLFFYPS YPDEVRGVFA VRTGKYKAHF FTQGSAHSDT TADPAcHASS DATA SEQUENCE SLTAHEPPLL YDLSKDPGEN YNLLGXXXXA TPEVLQALKQ LQLLKAQLDA DATA SEQUENCE AVTFGPSQVA RGEDPALQIc cHPGcTPRPA ccHcP 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.328 176.300 0.046 0.000 0.893 19 R CA 0.000 56.119 56.100 0.031 0.000 0.921 19 R CB 0.000 30.300 30.300 0.001 0.000 0.687 20 P HA 0.252 nan 4.420 nan 0.000 0.265 20 P C -2.591 174.714 177.300 0.009 0.000 1.193 20 P CA -0.702 62.438 63.100 0.066 0.000 0.765 20 P CB 0.383 32.148 31.700 0.107 0.000 0.823 21 P HA 0.117 nan 4.420 nan 0.000 0.276 21 P C -0.256 176.952 177.300 -0.153 0.000 1.244 21 P CA -0.360 62.679 63.100 -0.102 0.000 0.801 21 P CB 0.608 32.136 31.700 -0.286 0.000 1.006 22 N N 1.196 119.704 118.700 -0.321 0.000 2.497 22 N HA 0.185 4.925 4.740 0.001 0.000 0.268 22 N C -0.098 175.144 175.510 -0.446 0.000 1.171 22 N CA 0.209 52.881 53.050 -0.630 0.000 0.948 22 N CB 0.296 38.136 38.487 -1.079 0.000 1.069 22 N HN 0.364 nan 8.380 nan 0.000 0.460 23 I N 1.615 122.029 120.570 -0.261 0.000 2.382 23 I HA 0.180 4.350 4.170 0.001 0.000 0.286 23 I C -0.142 176.093 176.117 0.198 0.000 1.002 23 I CA -0.965 60.317 61.300 -0.031 0.000 1.135 23 I CB 1.967 39.992 38.000 0.042 0.000 1.288 23 I HN 0.085 nan 8.210 nan 0.000 0.448 24 V N 8.475 128.508 119.914 0.197 0.000 2.357 24 V HA 0.474 4.595 4.120 0.001 0.000 0.284 24 V C -1.034 175.216 176.094 0.260 0.000 1.018 24 V CA -0.607 61.863 62.300 0.285 0.000 0.841 24 V CB 1.605 33.610 31.823 0.303 0.000 0.991 24 V HN 0.567 nan 8.190 nan 0.000 0.437 25 L N 8.767 130.170 121.223 0.301 0.000 2.287 25 L HA 0.596 4.936 4.340 0.001 0.000 0.280 25 L C -0.318 176.736 176.870 0.307 0.000 1.055 25 L CA -0.034 54.990 54.840 0.306 0.000 0.863 25 L CB 0.373 42.671 42.059 0.397 0.000 1.245 25 L HN 0.626 nan 8.230 nan 0.000 0.432 26 I N 4.315 125.050 120.570 0.276 0.000 2.371 26 I HA 0.205 4.376 4.170 0.001 0.000 0.290 26 I C -0.754 175.423 176.117 0.101 0.000 1.028 26 I CA -0.195 61.242 61.300 0.229 0.000 1.345 26 I CB 0.700 38.933 38.000 0.388 0.000 1.407 26 I HN 0.457 nan 8.210 nan 0.000 0.501 27 F N 5.955 125.774 119.950 -0.219 0.000 2.500 27 F HA 0.633 5.161 4.527 0.001 0.000 0.349 27 F C 0.327 175.927 175.800 -0.333 0.000 1.127 27 F CA -0.934 56.915 58.000 -0.251 0.000 0.998 27 F CB 1.076 40.060 39.000 -0.026 0.000 1.237 27 F HN 0.508 nan 8.300 nan 0.000 0.439 28 A N 3.300 125.809 122.820 -0.519 0.000 2.272 28 A HA 0.492 4.812 4.320 0.001 0.000 0.275 28 A C -0.783 176.571 177.584 -0.384 0.000 1.096 28 A CA -0.360 51.452 52.037 -0.375 0.000 0.822 28 A CB 0.341 19.190 19.000 -0.251 0.000 1.088 28 A HN 0.593 nan 8.150 nan 0.000 0.495 29 D N -0.071 120.223 120.400 -0.177 0.000 2.308 29 D HA 0.407 5.048 4.640 0.001 0.000 0.242 29 D C -0.988 175.331 176.300 0.030 0.000 1.059 29 D CA 0.206 54.172 54.000 -0.056 0.000 0.830 29 D CB 0.826 41.697 40.800 0.119 0.000 1.161 29 D HN 0.466 nan 8.370 nan 0.000 0.494 30 D N 1.546 121.951 120.400 0.009 0.000 2.686 30 D HA -0.225 4.416 4.640 0.001 0.000 0.235 30 D C -0.611 175.736 176.300 0.078 0.000 1.160 30 D CA 0.469 54.488 54.000 0.033 0.000 0.645 30 D CB -0.948 39.872 40.800 0.034 0.000 1.039 30 D HN 0.217 nan 8.370 nan 0.000 0.423 31 L N -0.153 121.087 121.223 0.029 0.000 2.313 31 L HA 0.690 5.030 4.340 0.001 0.000 0.283 31 L C 0.738 177.630 176.870 0.038 0.000 1.013 31 L CA -0.308 54.586 54.840 0.089 0.000 0.816 31 L CB 1.793 43.885 42.059 0.056 0.000 1.236 31 L HN 0.023 nan 8.230 nan 0.000 0.419 32 G N 2.318 111.156 108.800 0.063 0.000 2.502 32 G HA2 0.103 4.064 3.960 0.001 0.000 0.305 32 G HA3 0.103 4.064 3.960 0.001 0.000 0.305 32 G C -0.043 174.874 174.900 0.027 0.000 1.190 32 G CA -0.251 44.878 45.100 0.047 0.000 0.933 32 G HN 0.748 nan 8.290 nan 0.000 0.503 33 Y N 0.085 120.331 120.300 -0.091 0.000 2.465 33 Y HA -0.015 4.536 4.550 0.001 0.000 0.289 33 Y C 2.227 178.078 175.900 -0.083 0.000 1.150 33 Y CA 1.811 59.818 58.100 -0.156 0.000 1.293 33 Y CB 0.291 38.709 38.460 -0.070 0.000 0.977 33 Y HN 0.441 nan 8.280 nan 0.000 0.556 34 G N -1.616 107.267 108.800 0.138 0.000 3.277 34 G HA2 -0.010 3.950 3.960 0.001 0.000 0.243 34 G HA3 -0.010 3.950 3.960 0.001 0.000 0.243 34 G C 0.955 175.970 174.900 0.193 0.000 1.107 34 G CA 0.217 45.422 45.100 0.175 0.000 0.771 34 G HN 0.259 nan 8.290 nan 0.000 0.544 35 D N 0.551 121.008 120.400 0.096 0.000 2.183 35 D HA 0.068 4.708 4.640 0.001 0.000 0.205 35 D C 1.418 177.766 176.300 0.080 0.000 0.962 35 D CA 0.149 54.200 54.000 0.085 0.000 0.849 35 D CB 0.326 41.197 40.800 0.118 0.000 0.978 35 D HN 0.219 nan 8.370 nan 0.000 0.488 36 L N 0.558 121.822 121.223 0.070 0.000 2.452 36 L HA 0.177 4.517 4.340 0.001 0.000 0.267 36 L C 2.020 178.980 176.870 0.151 0.000 1.188 36 L CA -0.192 54.704 54.840 0.094 0.000 0.821 36 L CB 0.633 42.766 42.059 0.122 0.000 1.102 36 L HN -0.011 nan 8.230 nan 0.000 0.470 37 G N 0.827 109.687 108.800 0.101 0.000 2.432 37 G HA2 -0.238 3.722 3.960 0.001 0.000 0.219 37 G HA3 -0.238 3.722 3.960 0.001 0.000 0.219 37 G C 1.365 176.318 174.900 0.089 0.000 1.135 37 G CA 0.938 46.099 45.100 0.101 0.000 0.767 37 G HN 0.903 nan 8.290 nan 0.000 0.550 38 C N -2.217 117.132 119.300 0.081 0.000 2.539 38 C HA 0.412 4.873 4.460 0.001 0.000 0.271 38 C C 1.615 176.586 174.990 -0.031 0.000 1.412 38 C CA -0.626 58.403 59.018 0.018 0.000 1.729 38 C CB -1.507 26.223 27.740 -0.015 0.000 1.739 38 C HN 0.318 nan 8.230 nan 0.000 0.570 39 Y N 0.845 121.131 120.300 -0.023 0.000 2.557 39 Y HA 0.468 5.018 4.550 0.001 0.000 0.247 39 Y C 1.891 177.791 175.900 0.000 0.000 1.164 39 Y CA 0.619 58.679 58.100 -0.066 0.000 1.218 39 Y CB 0.490 38.834 38.460 -0.193 0.000 1.210 39 Y HN 0.408 nan 8.280 nan 0.000 0.529 40 G N -1.236 107.653 108.800 0.148 0.000 2.336 40 G HA2 -0.236 3.725 3.960 0.001 0.000 0.194 40 G HA3 -0.236 3.725 3.960 0.001 0.000 0.194 40 G C 0.036 174.990 174.900 0.090 0.000 0.999 40 G CA -0.378 44.783 45.100 0.102 0.000 0.669 40 G HN 0.337 nan 8.290 nan 0.000 0.482 41 H N 3.114 122.227 119.070 0.071 0.000 2.964 41 H HA 0.254 4.810 4.556 0.001 0.000 0.328 41 H C -0.877 174.475 175.328 0.040 0.000 1.030 41 H CA 0.005 56.084 56.048 0.053 0.000 1.445 41 H CB 1.752 31.549 29.762 0.057 0.000 1.449 41 H HN 0.164 nan 8.280 nan 0.000 0.581 42 P HA -0.059 nan 4.420 nan 0.000 0.229 42 P C 0.786 178.170 177.300 0.140 0.000 1.160 42 P CA 0.929 64.026 63.100 -0.005 0.000 0.777 42 P CB 0.526 32.171 31.700 -0.092 0.000 0.814 43 S N -3.430 112.507 115.700 0.396 0.000 2.679 43 S HA 0.161 4.632 4.470 0.001 0.000 0.258 43 S C 0.764 175.468 174.600 0.173 0.000 1.068 43 S CA -0.275 58.068 58.200 0.237 0.000 1.115 43 S CB -0.526 62.792 63.200 0.198 0.000 1.078 43 S HN -0.099 nan 8.310 nan 0.000 0.603 44 S N 2.480 118.269 115.700 0.147 0.000 2.558 44 S HA 0.280 4.750 4.470 0.001 0.000 0.287 44 S C -0.133 174.480 174.600 0.021 0.000 1.321 44 S CA 0.284 58.470 58.200 -0.023 0.000 1.048 44 S CB 0.513 63.651 63.200 -0.103 0.000 0.844 44 S HN 0.468 nan 8.310 nan 0.000 0.512 45 T N 2.526 117.072 114.554 -0.014 0.000 2.893 45 T HA 0.456 4.806 4.350 0.001 0.000 0.324 45 T C 0.120 174.794 174.700 -0.044 0.000 1.082 45 T CA -0.651 61.442 62.100 -0.011 0.000 0.983 45 T CB 0.406 69.273 68.868 -0.001 0.000 1.005 45 T HN 0.719 nan 8.240 nan 0.000 0.475 46 T N 0.489 115.018 114.554 -0.042 0.000 3.658 46 T HA 0.307 4.658 4.350 0.001 0.000 0.245 46 T C -2.186 172.475 174.700 -0.065 0.000 1.292 46 T CA -1.410 60.645 62.100 -0.075 0.000 1.598 46 T CB 0.932 69.747 68.868 -0.088 0.000 0.861 46 T HN 0.140 nan 8.240 nan 0.000 0.663 47 P HA -0.008 nan 4.420 nan 0.000 0.221 47 P C 0.934 178.201 177.300 -0.055 0.000 1.150 47 P CA 0.862 63.941 63.100 -0.035 0.000 0.800 47 P CB 0.093 31.785 31.700 -0.013 0.000 0.787 48 N N -0.213 118.441 118.700 -0.077 0.000 2.171 48 N HA -0.018 4.723 4.740 0.001 0.000 0.184 48 N C 1.834 177.255 175.510 -0.148 0.000 1.021 48 N CA 0.736 53.727 53.050 -0.100 0.000 0.854 48 N CB -0.746 37.686 38.487 -0.092 0.000 0.994 48 N HN 0.066 nan 8.380 nan 0.000 0.426 49 L N 0.655 121.766 121.223 -0.187 0.000 2.141 49 L HA -0.112 4.229 4.340 0.001 0.000 0.209 49 L C 1.310 178.093 176.870 -0.144 0.000 1.094 49 L CA 0.911 55.602 54.840 -0.250 0.000 0.763 49 L CB -0.267 41.554 42.059 -0.396 0.000 0.908 49 L HN 0.145 nan 8.230 nan 0.000 0.437 50 D N -0.292 120.052 120.400 -0.094 0.000 2.178 50 D HA -0.197 4.443 4.640 0.001 0.000 0.201 50 D C 2.254 178.531 176.300 -0.038 0.000 0.980 50 D CA 1.075 55.047 54.000 -0.045 0.000 0.842 50 D CB -0.054 40.732 40.800 -0.024 0.000 0.948 50 D HN 0.409 nan 8.370 nan 0.000 0.472 51 Q N -0.215 119.551 119.800 -0.056 0.000 2.083 51 Q HA 0.012 4.352 4.340 0.001 0.000 0.198 51 Q C 2.390 178.358 176.000 -0.053 0.000 0.969 51 Q CA 0.291 56.073 55.803 -0.036 0.000 0.838 51 Q CB 0.086 28.805 28.738 -0.032 0.000 0.900 51 Q HN 0.261 nan 8.270 nan 0.000 0.436 52 L N 0.317 121.446 121.223 -0.157 0.000 2.043 52 L HA -0.258 4.083 4.340 0.001 0.000 0.212 52 L C 2.402 179.317 176.870 0.074 0.000 1.075 52 L CA 1.560 56.280 54.840 -0.200 0.000 0.752 52 L CB -0.839 41.072 42.059 -0.246 0.000 0.891 52 L HN 0.278 nan 8.230 nan 0.000 0.432 53 A N -0.257 122.589 122.820 0.043 0.000 1.877 53 A HA -0.170 4.150 4.320 0.001 0.000 0.216 53 A C 2.521 180.154 177.584 0.081 0.000 1.186 53 A CA 1.744 53.824 52.037 0.072 0.000 0.620 53 A CB -0.648 18.360 19.000 0.013 0.000 0.822 53 A HN 0.449 nan 8.150 nan 0.000 0.443 54 A N -0.790 122.067 122.820 0.061 0.000 1.940 54 A HA 0.101 4.421 4.320 0.001 0.000 0.219 54 A C 2.043 179.696 177.584 0.116 0.000 1.176 54 A CA 1.839 53.915 52.037 0.065 0.000 0.631 54 A CB -0.987 18.043 19.000 0.051 0.000 0.814 54 A HN 0.959 nan 8.150 nan 0.000 0.446 55 G N -1.571 107.358 108.800 0.215 0.000 3.707 55 G HA2 0.489 4.449 3.960 0.001 0.000 0.286 55 G HA3 0.489 4.449 3.960 0.001 0.000 0.286 55 G C 0.337 175.426 174.900 0.314 0.000 1.112 55 G CA 0.646 45.908 45.100 0.269 0.000 0.861 55 G HN 0.867 nan 8.290 nan 0.000 0.534 56 G N -0.580 108.388 108.800 0.279 0.000 2.870 56 G HA2 0.493 4.453 3.960 0.001 0.000 0.299 56 G HA3 0.493 4.453 3.960 0.001 0.000 0.299 56 G C -1.714 173.280 174.900 0.158 0.000 1.324 56 G CA -0.811 44.457 45.100 0.280 0.000 0.808 56 G HN 0.231 nan 8.290 nan 0.000 0.535 57 L N 0.836 122.155 121.223 0.160 0.000 2.264 57 L HA 0.645 4.986 4.340 0.001 0.000 0.289 57 L C 0.520 177.460 176.870 0.116 0.000 1.044 57 L CA -0.733 54.139 54.840 0.052 0.000 0.807 57 L CB 1.042 43.109 42.059 0.013 0.000 1.192 57 L HN 0.527 nan 8.230 nan 0.000 0.425 58 R N 4.471 124.995 120.500 0.040 0.000 2.255 58 R HA 0.419 4.760 4.340 0.001 0.000 0.326 58 R C -1.343 175.015 176.300 0.096 0.000 0.986 58 R CA -0.532 55.642 56.100 0.125 0.000 0.847 58 R CB 0.515 30.806 30.300 -0.015 0.000 1.111 58 R HN 0.436 nan 8.270 nan 0.000 0.452 59 F N 2.431 122.469 119.950 0.147 0.000 2.410 59 F HA 0.163 4.691 4.527 0.001 0.000 0.348 59 F C 1.711 177.695 175.800 0.307 0.000 1.106 59 F CA -0.343 57.792 58.000 0.225 0.000 1.163 59 F CB 1.936 41.123 39.000 0.312 0.000 1.129 59 F HN 0.617 nan 8.300 nan 0.000 0.516 60 T N -3.111 111.722 114.554 0.465 0.000 3.051 60 T HA 0.094 4.444 4.350 0.001 0.000 0.255 60 T C 0.231 175.272 174.700 0.569 0.000 1.085 60 T CA 0.366 62.790 62.100 0.539 0.000 1.109 60 T CB -0.189 68.999 68.868 0.533 0.000 0.921 60 T HN 0.400 nan 8.240 nan 0.000 0.488 61 D N 0.655 121.355 120.400 0.500 0.000 2.938 61 D HA 0.374 5.014 4.640 0.001 0.000 0.369 61 D C -1.360 175.190 176.300 0.416 0.000 1.301 61 D CA -0.516 53.711 54.000 0.378 0.000 0.805 61 D CB 0.048 41.100 40.800 0.419 0.000 1.161 61 D HN 0.355 nan 8.370 nan 0.000 0.474 62 F N 1.184 121.250 119.950 0.193 0.000 2.422 62 F HA 0.567 5.094 4.527 0.001 0.000 0.333 62 F C -1.019 174.746 175.800 -0.059 0.000 1.095 62 F CA -0.606 57.495 58.000 0.167 0.000 1.038 62 F CB 0.694 39.728 39.000 0.057 0.000 1.156 62 F HN -0.086 nan 8.300 nan 0.000 0.483 63 Y N 3.597 123.814 120.300 -0.139 0.000 2.570 63 Y HA 0.605 5.156 4.550 0.000 0.000 0.345 63 Y C -0.313 175.568 175.900 -0.032 0.000 1.014 63 Y CA -1.079 57.046 58.100 0.041 0.000 1.063 63 Y CB 1.733 40.284 38.460 0.151 0.000 1.272 63 Y HN 0.563 nan 8.280 nan 0.000 0.477 64 V N -0.797 119.319 119.914 0.336 0.000 3.093 64 V HA 0.631 4.752 4.120 0.001 0.000 0.320 64 V C -2.558 173.730 176.094 0.323 0.000 1.093 64 V CA -2.233 60.223 62.300 0.260 0.000 1.016 64 V CB 1.973 33.949 31.823 0.254 0.000 1.096 64 V HN 0.664 nan 8.190 nan 0.000 0.452 65 P HA 0.287 nan 4.420 nan 0.000 0.259 65 P C -0.124 177.354 177.300 0.296 0.000 1.233 65 P CA 0.136 63.369 63.100 0.223 0.000 0.827 65 P CB 0.808 32.559 31.700 0.084 0.000 1.154 66 V N -0.109 119.934 119.914 0.214 0.000 2.733 66 V HA 0.218 4.339 4.120 0.001 0.000 0.306 66 V C 0.755 176.916 176.094 0.112 0.000 1.084 66 V CA -0.286 62.104 62.300 0.149 0.000 0.905 66 V CB 1.923 33.781 31.823 0.058 0.000 1.010 66 V HN -0.205 nan 8.190 nan 0.000 0.424 67 S N 4.699 120.455 115.700 0.092 0.000 2.859 67 S HA 0.449 4.919 4.470 0.001 0.000 0.245 67 S C -0.052 174.549 174.600 0.002 0.000 1.008 67 S CA 0.094 58.330 58.200 0.060 0.000 1.089 67 S CB -0.818 62.426 63.200 0.073 0.000 0.798 67 S HN 0.457 nan 8.310 nan 0.000 0.477 68 L N -0.531 120.682 121.223 -0.017 0.000 2.327 68 L HA 0.452 4.792 4.340 0.001 0.000 0.258 68 L C 1.323 178.168 176.870 -0.042 0.000 1.024 68 L CA -0.534 54.270 54.840 -0.060 0.000 0.825 68 L CB 1.536 43.542 42.059 -0.089 0.000 1.386 68 L HN 0.062 nan 8.230 nan 0.000 0.417 69 S N -0.053 115.627 115.700 -0.034 0.000 2.348 69 S HA -0.154 4.317 4.470 0.001 0.000 0.221 69 S C 1.602 176.134 174.600 -0.113 0.000 1.033 69 S CA 2.357 60.558 58.200 0.001 0.000 1.010 69 S CB 0.011 63.307 63.200 0.161 0.000 0.891 69 S HN 0.805 nan 8.310 nan 0.000 0.442 70 T N 3.136 117.486 114.554 -0.341 0.000 2.643 70 T HA -0.025 4.326 4.350 0.001 0.000 0.264 70 T C -0.707 173.849 174.700 -0.238 0.000 1.045 70 T CA 1.602 63.456 62.100 -0.410 0.000 1.155 70 T CB -1.415 67.137 68.868 -0.527 0.000 0.863 70 T HN 0.526 nan 8.240 nan 0.000 0.420 71 P HA -0.047 nan 4.420 nan 0.000 0.217 71 P C 1.795 179.049 177.300 -0.076 0.000 1.150 71 P CA 1.133 64.149 63.100 -0.140 0.000 0.832 71 P CB -0.063 31.562 31.700 -0.124 0.000 0.787 72 S N -0.426 115.266 115.700 -0.013 0.000 2.371 72 S HA -0.076 4.395 4.470 0.001 0.000 0.224 72 S C 2.140 176.816 174.600 0.126 0.000 1.029 72 S CA 0.782 59.038 58.200 0.095 0.000 0.978 72 S CB -0.545 62.745 63.200 0.150 0.000 0.833 72 S HN -0.005 nan 8.310 nan 0.000 0.466 73 R N 0.669 121.230 120.500 0.102 0.000 2.120 73 R HA 0.024 4.364 4.340 0.001 0.000 0.234 73 R C 2.533 178.753 176.300 -0.133 0.000 1.123 73 R CA 1.270 57.392 56.100 0.036 0.000 0.975 73 R CB -0.463 29.860 30.300 0.038 0.000 0.866 73 R HN 0.480 nan 8.270 nan 0.000 0.446 74 A N 0.979 123.702 122.820 -0.162 0.000 1.898 74 A HA -0.067 4.254 4.320 0.001 0.000 0.216 74 A C 2.334 179.832 177.584 -0.144 0.000 1.181 74 A CA 1.552 53.478 52.037 -0.184 0.000 0.620 74 A CB -0.644 18.242 19.000 -0.191 0.000 0.819 74 A HN 0.380 nan 8.150 nan 0.000 0.442 75 A N -0.558 122.198 122.820 -0.107 0.000 1.930 75 A HA 0.003 4.323 4.320 0.001 0.000 0.217 75 A C 2.144 179.668 177.584 -0.100 0.000 1.175 75 A CA 1.635 53.618 52.037 -0.090 0.000 0.627 75 A CB -0.573 18.399 19.000 -0.047 0.000 0.815 75 A HN 0.679 nan 8.150 nan 0.000 0.443 76 L N -0.411 120.740 121.223 -0.121 0.000 2.027 76 L HA -0.057 4.284 4.340 0.001 0.000 0.206 76 L C 2.193 178.936 176.870 -0.212 0.000 1.074 76 L CA 1.675 56.401 54.840 -0.191 0.000 0.745 76 L CB -0.295 41.517 42.059 -0.412 0.000 0.898 76 L HN 0.377 nan 8.230 nan 0.000 0.433 77 L N -1.068 120.025 121.223 -0.217 0.000 2.240 77 L HA -0.070 4.271 4.340 0.001 0.000 0.211 77 L C 2.129 178.914 176.870 -0.143 0.000 1.106 77 L CA 1.408 56.136 54.840 -0.188 0.000 0.793 77 L CB -0.779 41.201 42.059 -0.131 0.000 0.927 77 L HN 0.510 nan 8.230 nan 0.000 0.446 78 T N -4.789 109.686 114.554 -0.131 0.000 3.001 78 T HA 0.215 4.566 4.350 0.001 0.000 0.251 78 T C 1.443 176.071 174.700 -0.120 0.000 1.040 78 T CA 0.403 62.433 62.100 -0.117 0.000 0.985 78 T CB 0.607 69.412 68.868 -0.106 0.000 1.011 78 T HN 0.347 nan 8.240 nan 0.000 0.509 79 G N 1.619 110.346 108.800 -0.122 0.000 2.225 79 G HA2 -0.276 3.684 3.960 0.001 0.000 0.267 79 G HA3 -0.276 3.684 3.960 0.001 0.000 0.267 79 G C -0.008 174.817 174.900 -0.124 0.000 1.024 79 G CA 0.253 45.281 45.100 -0.120 0.000 0.784 79 G HN 0.721 nan 8.290 nan 0.000 0.507 80 R N -1.419 119.009 120.500 -0.120 0.000 2.807 80 R HA 0.670 5.010 4.340 0.001 0.000 0.276 80 R C 0.492 176.714 176.300 -0.130 0.000 0.979 80 R CA -1.020 55.005 56.100 -0.125 0.000 0.928 80 R CB 1.226 31.453 30.300 -0.123 0.000 1.191 80 R HN 0.146 nan 8.270 nan 0.000 0.471 81 L N 3.786 124.923 121.223 -0.143 0.000 2.499 81 L HA 0.107 4.447 4.340 0.001 0.000 0.273 81 L C -1.387 175.341 176.870 -0.235 0.000 1.195 81 L CA -1.257 53.480 54.840 -0.172 0.000 0.882 81 L CB 0.765 42.717 42.059 -0.178 0.000 1.133 81 L HN 0.430 nan 8.230 nan 0.000 0.483 82 P HA -0.144 nan 4.420 nan 0.000 0.225 82 P C 1.460 178.573 177.300 -0.312 0.000 1.148 82 P CA 0.674 63.629 63.100 -0.241 0.000 0.779 82 P CB 0.051 31.629 31.700 -0.202 0.000 0.780 83 V N -2.810 116.766 119.914 -0.563 0.000 2.809 83 V HA -0.052 4.068 4.120 0.001 0.000 0.256 83 V C 2.187 178.048 176.094 -0.389 0.000 1.080 83 V CA 1.021 62.883 62.300 -0.729 0.000 1.102 83 V CB -1.271 29.538 31.823 -1.692 0.000 0.705 83 V HN -0.033 nan 8.190 nan 0.000 0.475 84 R N 1.166 121.490 120.500 -0.293 0.000 2.096 84 R HA 0.061 4.402 4.340 0.001 0.000 0.235 84 R C 1.766 178.003 176.300 -0.104 0.000 1.127 84 R CA 1.829 57.834 56.100 -0.159 0.000 0.968 84 R CB -0.287 29.929 30.300 -0.140 0.000 0.861 84 R HN 0.647 nan 8.270 nan 0.000 0.440 85 M N -1.311 118.216 119.600 -0.121 0.000 2.972 85 M HA 0.328 4.808 4.480 0.001 0.000 0.323 85 M C 0.289 176.515 176.300 -0.123 0.000 1.213 85 M CA 0.315 55.555 55.300 -0.101 0.000 0.935 85 M CB 0.259 32.799 32.600 -0.100 0.000 1.289 85 M HN 0.252 nan 8.290 nan 0.000 0.525 86 G N 2.016 110.759 108.800 -0.095 0.000 2.166 86 G HA2 -0.225 3.736 3.960 0.001 0.000 0.260 86 G HA3 -0.225 3.736 3.960 0.001 0.000 0.260 86 G C 0.153 174.838 174.900 -0.358 0.000 0.986 86 G CA 0.487 45.434 45.100 -0.255 0.000 0.683 86 G HN 0.574 nan 8.290 nan 0.000 0.527 87 M N 0.429 119.900 119.600 -0.214 0.000 3.586 87 M HA 0.463 4.943 4.480 0.001 0.000 0.225 87 M C 0.136 176.337 176.300 -0.164 0.000 1.428 87 M CA -0.429 54.729 55.300 -0.237 0.000 1.613 87 M CB -1.727 30.740 32.600 -0.221 0.000 1.063 87 M HN 0.572 nan 8.290 nan 0.000 0.593 88 Y N -0.983 119.147 120.300 -0.283 0.000 2.713 88 Y HA 0.846 5.396 4.550 0.001 0.000 0.335 88 Y C -3.296 172.458 175.900 -0.242 0.000 1.222 88 Y CA -2.445 55.474 58.100 -0.302 0.000 1.061 88 Y CB 0.371 38.630 38.460 -0.334 0.000 1.314 88 Y HN 0.032 nan 8.280 nan 0.000 0.453 89 P HA 0.395 nan 4.420 nan 0.000 0.302 89 P C 0.597 177.640 177.300 -0.429 0.000 1.307 89 P CA 0.946 63.875 63.100 -0.285 0.000 0.754 89 P CB 0.583 31.953 31.700 -0.550 0.000 1.298 90 G N -1.044 107.377 108.800 -0.631 0.000 2.564 90 G HA2 -0.121 3.840 3.960 0.001 0.000 0.309 90 G HA3 -0.121 3.840 3.960 0.001 0.000 0.309 90 G C -0.208 174.572 174.900 -0.200 0.000 1.320 90 G CA 0.677 45.595 45.100 -0.304 0.000 0.941 90 G HN 0.771 nan 8.290 nan 0.000 0.543 91 V N -2.401 117.435 119.914 -0.130 0.000 2.919 91 V HA 0.801 4.922 4.120 0.001 0.000 0.316 91 V C 0.826 176.853 176.094 -0.112 0.000 1.077 91 V CA -1.274 60.911 62.300 -0.191 0.000 0.977 91 V CB 1.642 33.371 31.823 -0.157 0.000 1.039 91 V HN 0.924 nan 8.190 nan 0.000 0.441 92 L N 2.916 124.050 121.223 -0.149 0.000 2.483 92 L HA 0.472 4.813 4.340 0.001 0.000 0.276 92 L C 0.324 177.261 176.870 0.112 0.000 1.213 92 L CA 0.035 54.865 54.840 -0.017 0.000 0.843 92 L CB 1.064 43.121 42.059 -0.003 0.000 1.107 92 L HN 0.812 nan 8.230 nan 0.000 0.487 93 V N 0.149 120.075 119.914 0.020 0.000 3.166 93 V HA 0.459 4.580 4.120 0.001 0.000 0.317 93 V C -2.165 173.838 176.094 -0.152 0.000 1.136 93 V CA -1.575 60.679 62.300 -0.077 0.000 1.035 93 V CB 1.073 32.859 31.823 -0.062 0.000 1.110 93 V HN 0.485 nan 8.190 nan 0.000 0.450 94 P HA -0.027 nan 4.420 nan 0.000 0.218 94 P C 1.394 178.684 177.300 -0.017 0.000 1.149 94 P CA 1.475 64.393 63.100 -0.303 0.000 0.817 94 P CB 0.129 31.546 31.700 -0.473 0.000 0.785 95 S N -1.306 114.381 115.700 -0.023 0.000 2.631 95 S HA 0.093 4.563 4.470 0.001 0.000 0.217 95 S C 0.785 175.412 174.600 0.045 0.000 0.958 95 S CA 0.061 58.278 58.200 0.028 0.000 0.920 95 S CB -0.662 62.547 63.200 0.014 0.000 0.776 95 S HN 0.081 nan 8.310 nan 0.000 0.517 96 S N 1.797 117.523 115.700 0.043 0.000 2.549 96 S HA 0.145 4.615 4.470 0.001 0.000 0.286 96 S C 1.345 175.997 174.600 0.087 0.000 1.314 96 S CA -0.265 57.959 58.200 0.040 0.000 1.062 96 S CB 0.573 63.784 63.200 0.018 0.000 0.865 96 S HN 0.422 nan 8.310 nan 0.000 0.498 97 R N 2.090 122.635 120.500 0.076 0.000 2.092 97 R HA -0.013 4.327 4.340 0.001 0.000 0.231 97 R C 1.402 177.811 176.300 0.183 0.000 1.119 97 R CA 0.807 56.984 56.100 0.128 0.000 0.970 97 R CB -0.344 30.007 30.300 0.085 0.000 0.864 97 R HN 0.660 nan 8.270 nan 0.000 0.440 98 G N -0.464 108.350 108.800 0.022 0.000 2.547 98 G HA2 0.502 4.463 3.960 0.001 0.000 0.291 98 G HA3 0.502 4.463 3.960 0.001 0.000 0.291 98 G C -0.485 174.089 174.900 -0.543 0.000 1.211 98 G CA 0.024 45.034 45.100 -0.151 0.000 0.950 98 G HN 0.341 nan 8.290 nan 0.000 0.504 99 G N -1.605 106.634 108.800 -0.935 0.000 2.576 99 G HA2 0.505 4.465 3.960 0.001 0.000 0.290 99 G HA3 0.505 4.465 3.960 0.001 0.000 0.290 99 G C -1.356 173.132 174.900 -0.687 0.000 1.442 99 G CA -0.921 43.471 45.100 -1.181 0.000 0.792 99 G HN 0.943 nan 8.290 nan 0.000 0.491 100 L N 1.725 122.696 121.223 -0.419 0.000 2.654 100 L HA 0.305 4.645 4.340 0.001 0.000 0.271 100 L C -1.795 175.040 176.870 -0.059 0.000 1.169 100 L CA -0.928 53.787 54.840 -0.208 0.000 0.947 100 L CB -0.284 41.685 42.059 -0.149 0.000 1.232 100 L HN 0.188 nan 8.230 nan 0.000 0.486 101 P HA -0.103 nan 4.420 nan 0.000 0.264 101 P C 0.767 178.152 177.300 0.142 0.000 1.173 101 P CA 0.351 63.509 63.100 0.098 0.000 0.761 101 P CB 0.481 32.200 31.700 0.031 0.000 0.794 102 L N 2.275 123.614 121.223 0.193 0.000 2.275 102 L HA -0.170 4.170 4.340 0.001 0.000 0.215 102 L C 1.861 178.782 176.870 0.085 0.000 1.119 102 L CA 1.480 56.413 54.840 0.153 0.000 0.790 102 L CB -0.683 41.451 42.059 0.125 0.000 0.919 102 L HN 0.438 nan 8.230 nan 0.000 0.443 103 E N -0.767 119.469 120.200 0.059 0.000 2.274 103 E HA -0.076 4.274 4.350 0.001 0.000 0.194 103 E C 0.453 177.062 176.600 0.015 0.000 0.996 103 E CA 0.318 56.735 56.400 0.028 0.000 0.840 103 E CB -0.068 29.642 29.700 0.016 0.000 0.772 103 E HN 0.330 nan 8.360 nan 0.000 0.491 104 E N 1.079 121.289 120.200 0.017 0.000 2.404 104 E HA 0.085 4.436 4.350 0.001 0.000 0.261 104 E C -0.437 176.160 176.600 -0.004 0.000 1.074 104 E CA -0.042 56.353 56.400 -0.007 0.000 0.917 104 E CB 1.416 31.105 29.700 -0.017 0.000 0.965 104 E HN -0.094 nan 8.360 nan 0.000 0.433 105 V N 2.792 122.687 119.914 -0.031 0.000 2.347 105 V HA 0.177 4.297 4.120 0.001 0.000 0.280 105 V C 0.767 176.822 176.094 -0.066 0.000 1.021 105 V CA -0.610 61.663 62.300 -0.045 0.000 0.847 105 V CB 1.206 32.996 31.823 -0.055 0.000 0.990 105 V HN 0.796 nan 8.190 nan 0.000 0.444 106 T N 1.794 116.309 114.554 -0.065 0.000 2.849 106 T HA 0.370 4.721 4.350 0.001 0.000 0.276 106 T C 1.361 175.962 174.700 -0.166 0.000 0.971 106 T CA -0.025 62.024 62.100 -0.085 0.000 0.949 106 T CB 1.446 70.301 68.868 -0.022 0.000 1.093 106 T HN 0.274 nan 8.240 nan 0.000 0.545 107 V N 0.632 120.424 119.914 -0.203 0.000 2.343 107 V HA -0.026 4.095 4.120 0.001 0.000 0.247 107 V C 3.239 179.081 176.094 -0.419 0.000 1.051 107 V CA 1.759 63.864 62.300 -0.325 0.000 1.036 107 V CB -2.168 29.402 31.823 -0.422 0.000 0.654 107 V HN 1.028 nan 8.190 nan 0.000 0.451 108 A N 0.477 123.061 122.820 -0.392 0.000 1.883 108 A HA -0.271 4.049 4.320 0.001 0.000 0.217 108 A C 2.197 179.551 177.584 -0.383 0.000 1.186 108 A CA 2.135 53.863 52.037 -0.515 0.000 0.624 108 A CB -0.660 17.606 19.000 -1.224 0.000 0.822 108 A HN 0.639 nan 8.150 nan 0.000 0.444 109 E N -0.531 119.498 120.200 -0.286 0.000 2.070 109 E HA -0.182 4.169 4.350 0.001 0.000 0.197 109 E C 1.945 178.448 176.600 -0.161 0.000 1.004 109 E CA 1.522 57.816 56.400 -0.177 0.000 0.805 109 E CB -0.402 29.232 29.700 -0.110 0.000 0.744 109 E HN 0.374 nan 8.360 nan 0.000 0.451 110 V N 0.897 120.693 119.914 -0.196 0.000 2.407 110 V HA -0.220 3.901 4.120 0.001 0.000 0.248 110 V C 2.001 177.975 176.094 -0.200 0.000 1.055 110 V CA 1.254 63.445 62.300 -0.183 0.000 1.049 110 V CB -0.218 31.483 31.823 -0.204 0.000 0.662 110 V HN 0.216 nan 8.190 nan 0.000 0.455 111 L N -0.262 120.780 121.223 -0.301 0.000 2.270 111 L HA 0.178 4.519 4.340 0.001 0.000 0.210 111 L C 2.515 179.393 176.870 0.013 0.000 1.104 111 L CA 1.736 56.390 54.840 -0.311 0.000 0.804 111 L CB -1.536 40.062 42.059 -0.768 0.000 0.937 111 L HN 0.270 nan 8.230 nan 0.000 0.450 112 A N -0.195 122.616 122.820 -0.015 0.000 1.898 112 A HA -0.097 4.224 4.320 0.001 0.000 0.216 112 A C 2.359 180.013 177.584 0.117 0.000 1.181 112 A CA 1.482 53.580 52.037 0.102 0.000 0.620 112 A CB -0.720 18.266 19.000 -0.023 0.000 0.819 112 A HN 0.324 nan 8.150 nan 0.000 0.442 113 A N -1.112 121.733 122.820 0.042 0.000 2.225 113 A HA -0.011 4.309 4.320 0.001 0.000 0.215 113 A C 1.944 179.562 177.584 0.057 0.000 1.164 113 A CA 1.723 53.784 52.037 0.040 0.000 0.710 113 A CB -0.327 18.674 19.000 0.002 0.000 0.780 113 A HN 0.449 nan 8.150 nan 0.000 0.473 114 R N -1.437 119.121 120.500 0.097 0.000 2.565 114 R HA 0.328 4.668 4.340 0.001 0.000 0.347 114 R C 0.736 177.111 176.300 0.125 0.000 1.010 114 R CA 0.807 56.971 56.100 0.107 0.000 1.126 114 R CB -0.224 30.151 30.300 0.125 0.000 1.331 114 R HN 0.679 nan 8.270 nan 0.000 0.552 115 G N 0.942 109.825 108.800 0.138 0.000 2.256 115 G HA2 -0.311 3.650 3.960 0.001 0.000 0.272 115 G HA3 -0.311 3.650 3.960 0.001 0.000 0.272 115 G C -0.742 174.223 174.900 0.110 0.000 1.076 115 G CA 0.166 45.334 45.100 0.112 0.000 0.882 115 G HN 0.282 nan 8.290 nan 0.000 0.497 116 Y N -1.372 118.984 120.300 0.093 0.000 2.299 116 Y HA 0.524 5.074 4.550 0.001 0.000 0.326 116 Y C 0.769 176.816 175.900 0.246 0.000 1.164 116 Y CA -0.843 57.334 58.100 0.128 0.000 1.234 116 Y CB 1.372 39.879 38.460 0.078 0.000 1.219 116 Y HN 0.319 nan 8.280 nan 0.000 0.497 117 L N 4.940 126.372 121.223 0.350 0.000 2.325 117 L HA 0.318 4.659 4.340 0.001 0.000 0.284 117 L C 0.026 177.201 176.870 0.509 0.000 1.089 117 L CA -0.058 55.039 54.840 0.428 0.000 0.836 117 L CB -0.165 42.027 42.059 0.221 0.000 1.184 117 L HN 0.676 nan 8.230 nan 0.000 0.444 118 T N 2.016 116.882 114.554 0.520 0.000 2.794 118 T HA 0.880 5.231 4.350 0.001 0.000 0.280 118 T C 0.060 174.958 174.700 0.331 0.000 0.987 118 T CA -0.303 61.979 62.100 0.303 0.000 0.993 118 T CB 1.491 70.364 68.868 0.008 0.000 0.939 118 T HN 0.855 nan 8.240 nan 0.000 0.449 119 G N 1.951 110.971 108.800 0.367 0.000 2.612 119 G HA2 0.661 4.621 3.960 0.001 0.000 0.298 119 G HA3 0.661 4.621 3.960 0.001 0.000 0.298 119 G C -1.525 173.612 174.900 0.394 0.000 1.336 119 G CA -1.089 44.266 45.100 0.426 0.000 0.953 119 G HN 0.950 nan 8.290 nan 0.000 0.482 120 M N 1.514 121.282 119.600 0.280 0.000 2.267 120 M HA 0.699 5.179 4.480 0.001 0.000 0.289 120 M C -0.984 175.179 176.300 -0.229 0.000 1.043 120 M CA -0.680 54.529 55.300 -0.151 0.000 0.928 120 M CB 1.960 34.066 32.600 -0.822 0.000 1.613 120 M HN 0.762 nan 8.290 nan 0.000 0.450 121 A N 3.510 126.113 122.820 -0.362 0.000 2.340 121 A HA 1.000 5.321 4.320 0.001 0.000 0.331 121 A C 0.292 177.425 177.584 -0.753 0.000 1.140 121 A CA 0.264 51.843 52.037 -0.763 0.000 0.801 121 A CB 1.029 19.579 19.000 -0.751 0.000 1.234 121 A HN 1.608 nan 8.150 nan 0.000 0.469 122 G N 0.759 109.012 108.800 -0.912 0.000 2.484 122 G HA2 -0.111 3.849 3.960 0.001 0.000 0.225 122 G HA3 -0.111 3.849 3.960 0.001 0.000 0.225 122 G C 0.017 174.823 174.900 -0.157 0.000 1.250 122 G CA 0.109 44.885 45.100 -0.540 0.000 0.926 122 G HN 1.112 nan 8.290 nan 0.000 0.581 123 K N 0.786 121.038 120.400 -0.247 0.000 2.339 123 K HA 0.349 4.669 4.320 0.001 0.000 0.286 123 K C 1.137 177.835 176.600 0.163 0.000 1.050 123 K CA -0.054 56.269 56.287 0.059 0.000 0.956 123 K CB 0.332 32.843 32.500 0.018 0.000 0.990 123 K HN 0.576 nan 8.250 nan 0.000 0.475 124 W N 4.797 126.099 121.300 0.003 0.000 2.619 124 W HA -0.087 4.574 4.660 0.001 0.000 0.309 124 W C 0.168 176.772 176.519 0.142 0.000 1.126 124 W CA 1.170 58.506 57.345 -0.015 0.000 1.472 124 W CB -0.070 29.319 29.460 -0.120 0.000 1.164 124 W HN 0.943 nan 8.180 nan 0.000 0.503 125 H N 0.027 119.083 119.070 -0.022 0.000 2.861 125 H HA -0.206 4.350 4.556 0.001 0.000 0.289 125 H C 0.355 175.435 175.328 -0.413 0.000 1.176 125 H CA 0.558 56.542 56.048 -0.108 0.000 1.146 125 H CB -1.202 28.539 29.762 -0.035 0.000 1.330 125 H HN 0.168 nan 8.280 nan 0.000 0.379 126 L N 0.197 120.904 121.223 -0.861 0.000 2.910 126 L HA 0.366 4.706 4.340 0.001 0.000 0.252 126 L C 1.210 177.880 176.870 -0.333 0.000 1.195 126 L CA 0.530 54.841 54.840 -0.883 0.000 1.003 126 L CB 1.042 42.132 42.059 -1.614 0.000 1.328 126 L HN 0.528 nan 8.230 nan 0.000 0.540 127 G N -0.892 107.899 108.800 -0.014 0.000 2.587 127 G HA2 -0.061 3.900 3.960 0.001 0.000 0.686 127 G HA3 -0.061 3.900 3.960 0.001 0.000 0.686 127 G C -0.356 174.849 174.900 0.508 0.000 1.236 127 G CA -0.504 44.681 45.100 0.142 0.000 0.820 127 G HN -0.260 nan 8.290 nan 0.000 0.645 128 V N 1.352 121.561 119.914 0.491 0.000 3.240 128 V HA 0.823 4.943 4.120 0.001 0.000 0.218 128 V C 1.974 178.381 176.094 0.521 0.000 1.190 128 V CA 1.942 64.528 62.300 0.476 0.000 1.280 128 V CB -0.243 31.800 31.823 0.368 0.000 1.244 128 V HN 2.961 nan 8.190 nan 0.000 0.512 129 G N 1.572 110.650 108.800 0.464 0.000 2.746 129 G HA2 -0.099 3.861 3.960 0.001 0.000 0.685 129 G HA3 -0.099 3.861 3.960 0.001 0.000 0.685 129 G C -2.804 172.161 174.900 0.108 0.000 1.350 129 G CA -0.444 44.856 45.100 0.333 0.000 0.837 129 G HN 0.393 nan 8.290 nan 0.000 0.564 130 P HA 0.397 nan 4.420 nan 0.000 0.260 130 P C 0.599 177.879 177.300 -0.034 0.000 1.207 130 P CA 2.035 65.132 63.100 -0.006 0.000 0.780 130 P CB -0.089 31.590 31.700 -0.035 0.000 0.789 131 E N 2.282 122.488 120.200 0.010 0.000 2.722 131 E HA -0.210 4.141 4.350 0.001 0.000 0.265 131 E C 1.059 177.688 176.600 0.048 0.000 1.081 131 E CA 1.804 58.217 56.400 0.021 0.000 0.781 131 E CB -2.626 27.072 29.700 -0.002 0.000 1.372 131 E HN 1.081 nan 8.360 nan 0.000 0.423 132 G N -2.918 105.925 108.800 0.071 0.000 2.143 132 G HA2 0.067 4.027 3.960 0.001 0.000 0.248 132 G HA3 0.067 4.027 3.960 0.001 0.000 0.248 132 G C 1.469 176.472 174.900 0.171 0.000 0.991 132 G CA 1.434 46.613 45.100 0.131 0.000 0.689 132 G HN 2.188 nan 8.290 nan 0.000 0.522 133 A N -0.664 122.136 122.820 -0.034 0.000 1.986 133 A HA 0.200 4.520 4.320 0.001 0.000 0.220 133 A C 1.747 179.302 177.584 -0.048 0.000 1.171 133 A CA 2.178 54.074 52.037 -0.234 0.000 0.640 133 A CB -0.383 18.267 19.000 -0.583 0.000 0.811 133 A HN 0.831 nan 8.150 nan 0.000 0.451 134 F N -0.720 119.372 119.950 0.238 0.000 2.727 134 F HA 0.354 4.881 4.527 0.001 0.000 0.302 134 F C 0.728 176.706 175.800 0.296 0.000 1.097 134 F CA -0.689 57.484 58.000 0.289 0.000 1.330 134 F CB -0.442 38.732 39.000 0.290 0.000 1.084 134 F HN -0.012 nan 8.300 nan 0.000 0.578 135 L N 1.377 122.744 121.223 0.240 0.000 2.476 135 L HA 0.037 4.378 4.340 0.001 0.000 0.264 135 L C -0.797 175.651 176.870 -0.703 0.000 1.224 135 L CA -1.448 53.213 54.840 -0.297 0.000 0.821 135 L CB 0.066 42.004 42.059 -0.203 0.000 1.101 135 L HN -0.153 nan 8.230 nan 0.000 0.488 136 P HA -0.145 nan 4.420 nan 0.000 0.216 136 P C -1.453 175.579 177.300 -0.446 0.000 1.157 136 P CA 1.599 63.941 63.100 -1.262 0.000 0.880 136 P CB -0.817 29.846 31.700 -1.729 0.000 0.791 137 P HA -0.167 nan 4.420 nan 0.000 0.217 137 P C 0.971 178.099 177.300 -0.287 0.000 1.148 137 P CA 1.514 64.453 63.100 -0.269 0.000 0.828 137 P CB -0.724 30.785 31.700 -0.317 0.000 0.783 138 H N -1.836 117.215 119.070 -0.031 0.000 2.556 138 H HA 0.096 4.653 4.556 0.001 0.000 0.268 138 H C 1.087 176.435 175.328 0.034 0.000 0.996 138 H CA 0.249 56.302 56.048 0.008 0.000 1.157 138 H CB -0.063 29.708 29.762 0.015 0.000 1.355 138 H HN 0.108 nan 8.280 nan 0.000 0.597 139 Q N -0.244 119.612 119.800 0.093 0.000 2.135 139 Q HA 0.209 4.550 4.340 0.001 0.000 0.231 139 Q C 0.772 176.765 176.000 -0.011 0.000 0.817 139 Q CA 0.388 56.266 55.803 0.126 0.000 1.073 139 Q CB 1.688 30.606 28.738 0.299 0.000 1.176 139 Q HN 0.659 nan 8.270 nan 0.000 0.478 140 G N 0.542 109.293 108.800 -0.081 0.000 2.179 140 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 140 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 140 G C -0.233 174.392 174.900 -0.459 0.000 0.990 140 G CA -0.577 44.363 45.100 -0.266 0.000 0.646 140 G HN 0.237 nan 8.290 nan 0.000 0.517 141 F N 0.831 120.688 119.950 -0.155 0.000 2.404 141 F HA 0.593 5.121 4.527 0.001 0.000 0.345 141 F C 1.599 177.325 175.800 -0.124 0.000 1.110 141 F CA -0.285 57.625 58.000 -0.151 0.000 1.130 141 F CB 0.984 39.924 39.000 -0.100 0.000 1.129 141 F HN 0.096 nan 8.300 nan 0.000 0.500 142 H N 1.354 120.563 119.070 0.232 0.000 2.363 142 H HA 0.112 4.668 4.556 0.001 0.000 0.301 142 H C 0.256 175.693 175.328 0.182 0.000 1.074 142 H CA 0.848 56.992 56.048 0.159 0.000 1.354 142 H CB 0.299 30.136 29.762 0.125 0.000 1.397 142 H HN 0.336 nan 8.280 nan 0.000 0.516 143 R N 0.294 121.015 120.500 0.369 0.000 2.803 143 R HA 0.408 4.748 4.340 0.001 0.000 0.276 143 R C -1.700 174.906 176.300 0.510 0.000 0.978 143 R CA -0.903 55.437 56.100 0.400 0.000 0.939 143 R CB 2.430 32.944 30.300 0.357 0.000 1.179 143 R HN 0.036 nan 8.270 nan 0.000 0.472 144 F N 2.305 122.354 119.950 0.164 0.000 2.670 144 F HA 0.351 4.879 4.527 0.001 0.000 0.332 144 F C -2.233 173.370 175.800 -0.328 0.000 1.179 144 F CA -1.291 56.596 58.000 -0.188 0.000 1.076 144 F CB 1.340 40.186 39.000 -0.257 0.000 1.322 144 F HN 0.365 nan 8.300 nan 0.000 0.515 145 L N 6.510 127.072 121.223 -1.102 0.000 2.372 145 L HA 1.002 5.343 4.340 0.001 0.000 0.273 145 L C -0.515 175.753 176.870 -1.004 0.000 0.989 145 L CA 0.216 54.404 54.840 -1.086 0.000 0.841 145 L CB 1.263 42.825 42.059 -0.828 0.000 1.225 145 L HN 0.951 nan 8.230 nan 0.000 0.414 146 G N 4.234 112.467 108.800 -0.945 0.000 2.325 146 G HA2 0.335 4.296 3.960 0.001 0.000 0.295 146 G HA3 0.335 4.296 3.960 0.001 0.000 0.295 146 G C -1.798 173.047 174.900 -0.091 0.000 1.274 146 G CA -0.751 44.176 45.100 -0.287 0.000 0.857 146 G HN 0.501 nan 8.290 nan 0.000 0.499 147 I N 1.877 122.535 120.570 0.147 0.000 2.412 147 I HA 0.361 4.531 4.170 0.001 0.000 0.296 147 I C -1.334 174.805 176.117 0.038 0.000 0.987 147 I CA -2.298 59.004 61.300 0.004 0.000 1.180 147 I CB 3.008 40.973 38.000 -0.057 0.000 1.340 147 I HN 0.317 nan 8.210 nan 0.000 0.455 148 P HA -0.052 nan 4.420 nan 0.000 0.237 148 P C -0.701 176.610 177.300 0.018 0.000 1.178 148 P CA 1.281 64.361 63.100 -0.034 0.000 0.766 148 P CB 0.092 31.699 31.700 -0.156 0.000 0.876 149 Y N -2.752 117.596 120.300 0.080 0.000 3.129 149 Y HA 0.608 5.159 4.550 0.001 0.000 0.266 149 Y C 0.024 175.786 175.900 -0.229 0.000 2.052 149 Y CA -1.707 56.286 58.100 -0.178 0.000 1.035 149 Y CB -0.601 37.739 38.460 -0.200 0.000 2.140 149 Y HN -0.340 nan 8.280 nan 0.000 0.420 150 S N 0.735 116.384 115.700 -0.085 0.000 2.554 150 S HA 0.173 4.644 4.470 0.001 0.000 0.278 150 S C 0.788 175.366 174.600 -0.036 0.000 1.242 150 S CA -0.173 57.932 58.200 -0.158 0.000 1.051 150 S CB 0.065 63.023 63.200 -0.403 0.000 0.986 150 S HN 0.911 nan 8.310 nan 0.000 0.502 151 H N 3.046 122.010 119.070 -0.176 0.000 2.561 151 H HA -0.001 4.556 4.556 0.001 0.000 0.278 151 H C 0.497 175.742 175.328 -0.139 0.000 1.014 151 H CA 1.235 57.155 56.048 -0.212 0.000 1.211 151 H CB -0.263 29.257 29.762 -0.403 0.000 1.365 151 H HN 0.746 nan 8.280 nan 0.000 0.594 152 D N 0.455 120.647 120.400 -0.346 0.000 2.369 152 D HA -0.053 4.588 4.640 0.001 0.000 0.211 152 D C 0.499 176.771 176.300 -0.047 0.000 1.077 152 D CA -0.224 53.656 54.000 -0.200 0.000 0.842 152 D CB -0.303 40.480 40.800 -0.029 0.000 0.947 152 D HN 0.350 nan 8.370 nan 0.000 0.509 153 Q N 0.747 120.517 119.800 -0.050 0.000 3.170 153 Q HA 0.473 4.813 4.340 0.001 0.000 0.346 153 Q C -0.149 175.822 176.000 -0.049 0.000 1.333 153 Q CA -0.341 55.415 55.803 -0.079 0.000 0.958 153 Q CB 0.485 29.089 28.738 -0.224 0.000 1.600 153 Q HN 0.361 nan 8.270 nan 0.000 0.482 154 G N 1.175 109.969 108.800 -0.010 0.000 2.519 154 G HA2 0.243 4.204 3.960 0.001 0.000 0.292 154 G HA3 0.243 4.204 3.960 0.001 0.000 0.292 154 G C -3.254 171.643 174.900 -0.005 0.000 1.507 154 G CA -0.998 44.106 45.100 0.006 0.000 0.806 154 G HN -0.112 nan 8.290 nan 0.000 0.523 155 P HA 0.242 nan 4.420 nan 0.000 0.268 155 P C 0.946 178.233 177.300 -0.022 0.000 1.205 155 P CA -0.072 63.025 63.100 -0.005 0.000 0.771 155 P CB 1.092 32.788 31.700 -0.007 0.000 0.858 156 c N 1.516 120.102 118.600 -0.022 0.000 3.512 156 c HA 0.146 4.716 4.570 0.001 0.000 0.276 156 c C 1.946 176.019 174.090 -0.030 0.000 1.592 156 c CA -0.280 56.020 56.329 -0.049 0.000 1.803 156 c CB -0.778 41.676 42.510 -0.094 0.000 2.996 156 c HN 0.495 nan 8.230 nan 0.000 0.590 157 Q N 2.603 122.400 119.800 -0.005 0.000 2.197 157 Q HA -0.221 4.119 4.340 0.001 0.000 0.207 157 Q C 0.878 176.879 176.000 0.001 0.000 0.984 157 Q CA 2.265 58.073 55.803 0.007 0.000 0.869 157 Q CB -0.933 27.814 28.738 0.014 0.000 0.906 157 Q HN 0.867 nan 8.270 nan 0.000 0.426 158 N N 0.047 118.741 118.700 -0.010 0.000 2.353 158 N HA 0.214 4.954 4.740 0.001 0.000 0.185 158 N C -0.012 175.493 175.510 -0.008 0.000 1.098 158 N CA -0.311 52.736 53.050 -0.006 0.000 0.872 158 N CB 0.362 38.841 38.487 -0.012 0.000 0.970 158 N HN 0.095 nan 8.380 nan 0.000 0.467 159 L N 1.040 122.243 121.223 -0.035 0.000 2.452 159 L HA 0.131 4.472 4.340 0.001 0.000 0.267 159 L C 0.471 177.298 176.870 -0.072 0.000 1.188 159 L CA 0.141 54.944 54.840 -0.061 0.000 0.821 159 L CB 0.553 42.538 42.059 -0.123 0.000 1.102 159 L HN 0.033 nan 8.230 nan 0.000 0.470 160 T N 0.509 115.002 114.554 -0.102 0.000 2.806 160 T HA 0.110 4.461 4.350 0.001 0.000 0.290 160 T C 0.550 175.046 174.700 -0.341 0.000 0.966 160 T CA -0.504 61.503 62.100 -0.154 0.000 1.060 160 T CB 1.175 69.971 68.868 -0.119 0.000 0.927 160 T HN 0.687 nan 8.240 nan 0.000 0.485 161 c N 2.742 121.161 118.600 -0.302 0.000 2.535 161 c HA 0.419 4.989 4.570 0.001 0.000 0.310 161 c C -0.059 173.509 174.090 -0.869 0.000 1.344 161 c CA -0.268 55.733 56.329 -0.546 0.000 1.831 161 c CB -0.361 41.898 42.510 -0.419 0.000 2.284 161 c HN 0.782 nan 8.230 nan 0.000 0.523 162 F N 2.137 122.059 119.950 -0.047 0.000 2.507 162 F HA 0.453 4.980 4.527 0.001 0.000 0.328 162 F C -2.261 173.531 175.800 -0.012 0.000 1.136 162 F CA -2.845 55.144 58.000 -0.018 0.000 0.930 162 F CB 0.914 39.924 39.000 0.018 0.000 1.166 162 F HN -0.074 nan 8.300 nan 0.000 0.436 163 P HA 0.193 nan 4.420 nan 0.000 0.276 163 P C -2.218 175.190 177.300 0.181 0.000 1.244 163 P CA -1.312 61.900 63.100 0.186 0.000 0.801 163 P CB 1.162 33.002 31.700 0.233 0.000 1.006 164 P HA 0.049 nan 4.420 nan 0.000 0.224 164 P C 0.554 177.982 177.300 0.213 0.000 1.157 164 P CA 1.098 64.315 63.100 0.194 0.000 0.799 164 P CB 0.245 32.021 31.700 0.127 0.000 0.809 165 A N -1.178 121.738 122.820 0.160 0.000 2.515 165 A HA 0.277 4.597 4.320 0.001 0.000 0.253 165 A C 0.140 177.794 177.584 0.117 0.000 0.863 165 A CA -0.190 51.934 52.037 0.145 0.000 1.124 165 A CB -0.671 18.397 19.000 0.114 0.000 1.214 165 A HN -0.018 nan 8.150 nan 0.000 0.470 166 T N 4.004 118.639 114.554 0.135 0.000 2.727 166 T HA 0.425 4.775 4.350 0.001 0.000 0.295 166 T C -2.638 172.128 174.700 0.111 0.000 0.915 166 T CA -0.793 61.398 62.100 0.151 0.000 1.066 166 T CB 0.723 69.741 68.868 0.249 0.000 0.891 166 T HN 0.278 nan 8.240 nan 0.000 0.516 167 P HA 0.226 nan 4.420 nan 0.000 0.275 167 P C 0.028 177.355 177.300 0.045 0.000 1.228 167 P CA -0.791 62.336 63.100 0.044 0.000 0.786 167 P CB 0.359 32.087 31.700 0.047 0.000 0.927 168 c N 2.519 121.106 118.600 -0.021 0.000 2.674 168 c HA 0.022 4.593 4.570 0.001 0.000 0.405 168 c C 1.094 175.208 174.090 0.040 0.000 1.285 168 c CA 0.077 56.390 56.329 -0.026 0.000 1.845 168 c CB -1.023 41.425 42.510 -0.103 0.000 2.689 168 c HN 0.649 nan 8.230 nan 0.000 0.643 169 D N 0.586 121.038 120.400 0.086 0.000 2.193 169 D HA 0.404 5.045 4.640 0.001 0.000 0.249 169 D C 0.849 177.283 176.300 0.224 0.000 1.034 169 D CA 0.400 54.495 54.000 0.158 0.000 0.902 169 D CB 1.264 42.185 40.800 0.202 0.000 1.182 169 D HN 0.984 nan 8.370 nan 0.000 0.436 170 G N 1.282 110.192 108.800 0.184 0.000 2.196 170 G HA2 -0.268 3.693 3.960 0.001 0.000 0.268 170 G HA3 -0.268 3.693 3.960 0.001 0.000 0.268 170 G C 1.197 176.203 174.900 0.178 0.000 0.975 170 G CA 0.802 46.016 45.100 0.190 0.000 0.648 170 G HN 1.715 nan 8.290 nan 0.000 0.538 171 G N -1.768 107.108 108.800 0.127 0.000 2.245 171 G HA2 -0.151 3.810 3.960 0.001 0.000 0.264 171 G HA3 -0.151 3.810 3.960 0.001 0.000 0.264 171 G C 1.813 176.773 174.900 0.101 0.000 0.985 171 G CA 1.297 46.452 45.100 0.091 0.000 0.625 171 G HN 2.179 nan 8.290 nan 0.000 0.536 172 c N -0.885 117.835 118.600 0.199 0.000 0.168 172 c HA -0.130 4.441 4.570 0.001 0.000 0.017 172 c C 0.564 174.718 174.090 0.107 0.000 0.171 172 c CA 0.441 56.886 56.329 0.194 0.000 0.499 172 c CB -1.202 41.343 42.510 0.059 0.000 3.212 172 c HN 0.828 nan 8.230 nan 0.000 1.118 173 D N 1.672 122.113 120.400 0.069 0.000 2.348 173 D HA 0.385 5.026 4.640 0.001 0.000 0.253 173 D C 0.220 176.530 176.300 0.017 0.000 1.161 173 D CA 0.258 54.278 54.000 0.035 0.000 0.876 173 D CB 0.402 41.208 40.800 0.010 0.000 1.160 173 D HN 0.317 nan 8.370 nan 0.000 0.459 174 Q N 0.187 119.996 119.800 0.015 0.000 2.260 174 Q HA 0.475 4.816 4.340 0.001 0.000 0.238 174 Q C 1.247 177.249 176.000 0.004 0.000 0.948 174 Q CA -0.500 55.309 55.803 0.010 0.000 0.895 174 Q CB 1.378 30.123 28.738 0.012 0.000 1.218 174 Q HN 0.763 nan 8.270 nan 0.000 0.470 175 G N 0.490 109.292 108.800 0.004 0.000 2.148 175 G HA2 -0.237 3.723 3.960 0.001 0.000 0.254 175 G HA3 -0.237 3.723 3.960 0.001 0.000 0.254 175 G C -0.150 174.752 174.900 0.004 0.000 0.981 175 G CA 0.269 45.371 45.100 0.005 0.000 0.670 175 G HN 0.353 nan 8.290 nan 0.000 0.528 176 L N -0.470 120.754 121.223 0.002 0.000 2.319 176 L HA 0.707 5.047 4.340 0.001 0.000 0.267 176 L C 1.131 178.012 176.870 0.018 0.000 1.011 176 L CA -1.438 53.404 54.840 0.003 0.000 0.818 176 L CB 1.807 43.855 42.059 -0.018 0.000 1.316 176 L HN -0.056 nan 8.230 nan 0.000 0.432 177 V N 2.732 122.666 119.914 0.034 0.000 2.788 177 V HA 0.048 4.168 4.120 0.001 0.000 0.307 177 V C -1.790 174.335 176.094 0.052 0.000 1.069 177 V CA -0.871 61.459 62.300 0.050 0.000 1.173 177 V CB 0.937 32.803 31.823 0.071 0.000 0.925 177 V HN 0.593 nan 8.190 nan 0.000 0.492 178 P HA 0.079 nan 4.420 nan 0.000 0.269 178 P C -0.346 176.982 177.300 0.047 0.000 1.217 178 P CA -0.343 62.773 63.100 0.025 0.000 0.783 178 P CB 0.350 32.054 31.700 0.006 0.000 0.898 179 I N 4.002 124.589 120.570 0.029 0.000 2.662 179 I HA 0.081 4.251 4.170 0.001 0.000 0.285 179 I C -1.939 174.147 176.117 -0.051 0.000 1.161 179 I CA -1.555 59.758 61.300 0.021 0.000 1.415 179 I CB -0.127 37.861 38.000 -0.020 0.000 1.385 179 I HN 0.246 nan 8.210 nan 0.000 0.552 180 P HA 0.216 nan 4.420 nan 0.000 0.294 180 P C -1.059 176.151 177.300 -0.150 0.000 1.294 180 P CA -0.715 62.323 63.100 -0.103 0.000 0.827 180 P CB 1.556 33.202 31.700 -0.089 0.000 0.992 181 L N 4.844 125.981 121.223 -0.144 0.000 2.265 181 L HA 0.372 4.712 4.340 0.001 0.000 0.288 181 L C -0.845 175.908 176.870 -0.195 0.000 1.058 181 L CA -0.236 54.504 54.840 -0.167 0.000 0.809 181 L CB -0.050 41.919 42.059 -0.150 0.000 1.179 181 L HN 0.231 nan 8.230 nan 0.000 0.429 182 L N 4.990 126.039 121.223 -0.290 0.000 2.334 182 L HA 0.874 5.214 4.340 0.001 0.000 0.272 182 L C -0.157 176.410 176.870 -0.506 0.000 1.020 182 L CA -0.923 53.721 54.840 -0.327 0.000 0.812 182 L CB 1.681 43.575 42.059 -0.276 0.000 1.264 182 L HN 0.741 nan 8.230 nan 0.000 0.439 183 A N 2.051 124.675 122.820 -0.327 0.000 2.410 183 A HA 0.535 4.855 4.320 0.001 0.000 0.289 183 A C 0.068 177.564 177.584 -0.146 0.000 1.200 183 A CA -0.579 51.299 52.037 -0.266 0.000 0.751 183 A CB 0.501 19.418 19.000 -0.138 0.000 1.161 183 A HN 0.927 nan 8.150 nan 0.000 0.459 184 N N 0.577 119.210 118.700 -0.111 0.000 1.276 184 N HA -0.273 4.468 4.740 0.001 0.000 0.137 184 N C 0.376 175.899 175.510 0.022 0.000 0.642 184 N CA 2.137 55.210 53.050 0.039 0.000 0.986 184 N CB -0.858 37.653 38.487 0.041 0.000 1.277 184 N HN 0.682 nan 8.380 nan 0.000 0.495 185 L N 0.338 121.561 121.223 -0.000 0.000 2.984 185 L HA 0.386 4.726 4.340 0.001 0.000 0.246 185 L C -0.168 176.700 176.870 -0.003 0.000 1.268 185 L CA -0.098 54.746 54.840 0.007 0.000 1.054 185 L CB 0.344 42.415 42.059 0.019 0.000 1.393 185 L HN 0.125 nan 8.230 nan 0.000 0.532 186 S N -0.313 115.368 115.700 -0.032 0.000 2.513 186 S HA 0.469 4.940 4.470 0.001 0.000 0.299 186 S C 0.057 174.622 174.600 -0.058 0.000 1.087 186 S CA -0.567 57.614 58.200 -0.031 0.000 1.012 186 S CB 2.788 65.972 63.200 -0.025 0.000 1.044 186 S HN -0.098 nan 8.310 nan 0.000 0.485 187 V N 3.159 123.046 119.914 -0.044 0.000 2.390 187 V HA 0.062 4.182 4.120 0.001 0.000 0.260 187 V C 1.550 177.603 176.094 -0.067 0.000 1.043 187 V CA 0.259 62.522 62.300 -0.062 0.000 1.047 187 V CB 0.018 31.810 31.823 -0.052 0.000 1.066 187 V HN 1.021 nan 8.190 nan 0.000 0.481 188 E N 4.043 124.190 120.200 -0.089 0.000 2.150 188 E HA 0.109 4.459 4.350 0.001 0.000 0.193 188 E C 0.687 177.243 176.600 -0.073 0.000 0.985 188 E CA 1.145 57.498 56.400 -0.078 0.000 0.814 188 E CB 0.266 29.910 29.700 -0.095 0.000 0.752 188 E HN 0.884 nan 8.360 nan 0.000 0.466 189 A N -0.260 122.511 122.820 -0.082 0.000 2.597 189 A HA 0.510 4.830 4.320 0.001 0.000 0.292 189 A C -1.523 176.017 177.584 -0.074 0.000 1.057 189 A CA -0.494 51.500 52.037 -0.071 0.000 0.674 189 A CB 1.438 20.401 19.000 -0.061 0.000 1.278 189 A HN 0.071 nan 8.150 nan 0.000 0.416 190 Q N 0.891 120.657 119.800 -0.058 0.000 3.091 190 Q HA 0.338 4.679 4.340 0.001 0.000 0.203 190 Q C -3.109 172.887 176.000 -0.005 0.000 0.768 190 Q CA -1.021 54.753 55.803 -0.047 0.000 0.955 190 Q CB 2.323 31.024 28.738 -0.061 0.000 1.533 190 Q HN 0.587 nan 8.270 nan 0.000 0.472 191 P HA 0.526 nan 4.420 nan 0.000 0.287 191 P C -2.740 174.533 177.300 -0.045 0.000 1.296 191 P CA -1.498 61.575 63.100 -0.045 0.000 0.811 191 P CB 0.989 32.657 31.700 -0.054 0.000 1.211 192 P HA 0.114 nan 4.420 nan 0.000 0.282 192 P C -0.815 176.470 177.300 -0.024 0.000 1.287 192 P CA -0.445 62.610 63.100 -0.074 0.000 0.792 192 P CB 0.869 32.471 31.700 -0.163 0.000 1.163 193 W N 3.178 124.359 121.300 -0.199 0.000 2.317 193 W HA 0.199 4.860 4.660 0.001 0.000 0.327 193 W C 0.285 176.652 176.519 -0.255 0.000 1.036 193 W CA -0.646 56.587 57.345 -0.186 0.000 1.419 193 W CB 0.395 29.778 29.460 -0.128 0.000 1.253 193 W HN 0.230 nan 8.180 nan 0.000 0.392 194 L N 6.418 127.218 121.223 -0.705 0.000 2.043 194 L HA -0.184 4.157 4.340 0.001 0.000 0.212 194 L C -0.442 175.971 176.870 -0.762 0.000 1.075 194 L CA 1.408 55.704 54.840 -0.907 0.000 0.752 194 L CB -1.859 39.541 42.059 -1.098 0.000 0.891 194 L HN 0.241 nan 8.230 nan 0.000 0.432 195 P HA -0.099 nan 4.420 nan 0.000 0.231 195 P C 1.008 178.112 177.300 -0.327 0.000 1.158 195 P CA 1.377 64.102 63.100 -0.626 0.000 0.763 195 P CB -0.076 31.178 31.700 -0.744 0.000 0.805 196 G N -1.724 106.884 108.800 -0.321 0.000 3.377 196 G HA2 0.056 4.017 3.960 0.001 0.000 0.257 196 G HA3 0.056 4.017 3.960 0.001 0.000 0.257 196 G C 1.087 175.933 174.900 -0.091 0.000 1.038 196 G CA -0.179 44.932 45.100 0.018 0.000 0.809 196 G HN 0.172 nan 8.290 nan 0.000 0.526 197 L N 0.067 121.149 121.223 -0.236 0.000 2.043 197 L HA -0.108 4.232 4.340 0.001 0.000 0.212 197 L C 2.814 179.417 176.870 -0.446 0.000 1.075 197 L CA 1.525 56.110 54.840 -0.426 0.000 0.752 197 L CB 0.015 41.780 42.059 -0.489 0.000 0.891 197 L HN 0.308 nan 8.230 nan 0.000 0.432 198 E N 0.047 120.155 120.200 -0.152 0.000 2.058 198 E HA -0.262 4.089 4.350 0.001 0.000 0.194 198 E C 2.067 178.667 176.600 0.000 0.000 0.997 198 E CA 1.505 57.892 56.400 -0.021 0.000 0.801 198 E CB 0.050 29.822 29.700 0.119 0.000 0.746 198 E HN 0.518 nan 8.360 nan 0.000 0.450 199 A N 1.627 124.454 122.820 0.012 0.000 1.883 199 A HA -0.205 4.115 4.320 0.001 0.000 0.217 199 A C 2.233 179.831 177.584 0.025 0.000 1.186 199 A CA 1.643 53.699 52.037 0.031 0.000 0.624 199 A CB -0.545 18.480 19.000 0.042 0.000 0.822 199 A HN 0.215 nan 8.150 nan 0.000 0.444 200 R N -1.565 118.920 120.500 -0.026 0.000 2.096 200 R HA -0.191 4.149 4.340 0.001 0.000 0.240 200 R C 2.020 178.407 176.300 0.144 0.000 1.139 200 R CA 1.920 58.026 56.100 0.011 0.000 0.952 200 R CB -0.627 29.630 30.300 -0.071 0.000 0.854 200 R HN 0.644 nan 8.270 nan 0.000 0.436 201 Y N 0.009 120.307 120.300 -0.003 0.000 2.293 201 Y HA -0.063 4.487 4.550 0.001 0.000 0.291 201 Y C 2.315 178.200 175.900 -0.025 0.000 1.137 201 Y CA 0.459 58.541 58.100 -0.030 0.000 1.202 201 Y CB -0.422 38.013 38.460 -0.042 0.000 0.990 201 Y HN -0.017 nan 8.280 nan 0.000 0.537 202 M N -0.210 119.455 119.600 0.109 0.000 2.086 202 M HA -0.138 4.343 4.480 0.001 0.000 0.261 202 M C 2.478 178.829 176.300 0.086 0.000 1.067 202 M CA 1.593 56.918 55.300 0.041 0.000 1.116 202 M CB -1.597 31.020 32.600 0.029 0.000 1.348 202 M HN 0.243 nan 8.290 nan 0.000 0.407 203 A N -0.337 122.544 122.820 0.100 0.000 1.877 203 A HA -0.217 4.104 4.320 0.001 0.000 0.216 203 A C 2.157 179.833 177.584 0.152 0.000 1.186 203 A CA 1.646 53.742 52.037 0.097 0.000 0.620 203 A CB -1.260 17.786 19.000 0.077 0.000 0.822 203 A HN 0.468 nan 8.150 nan 0.000 0.443 204 F N 1.129 121.093 119.950 0.024 0.000 2.161 204 F HA -0.114 4.414 4.527 0.001 0.000 0.300 204 F C 2.361 178.140 175.800 -0.035 0.000 1.089 204 F CA 1.231 59.231 58.000 0.000 0.000 1.282 204 F CB -0.319 38.681 39.000 0.001 0.000 1.010 204 F HN 0.246 nan 8.300 nan 0.000 0.485 205 A N -0.136 122.741 122.820 0.095 0.000 1.873 205 A HA -0.222 4.099 4.320 0.001 0.000 0.215 205 A C 2.390 179.856 177.584 -0.196 0.000 1.186 205 A CA 1.627 53.611 52.037 -0.088 0.000 0.616 205 A CB -1.491 17.478 19.000 -0.052 0.000 0.823 205 A HN 0.661 nan 8.150 nan 0.000 0.442 206 H N 0.330 119.303 119.070 -0.161 0.000 2.319 206 H HA -0.160 4.396 4.556 0.001 0.000 0.299 206 H C 1.253 176.466 175.328 -0.193 0.000 1.092 206 H CA 2.056 58.009 56.048 -0.158 0.000 1.302 206 H CB -0.172 29.538 29.762 -0.087 0.000 1.373 206 H HN 0.382 nan 8.280 nan 0.000 0.497 207 D N 0.630 120.991 120.400 -0.065 0.000 2.221 207 D HA -0.136 4.504 4.640 0.001 0.000 0.204 207 D C 2.337 178.458 176.300 -0.297 0.000 0.982 207 D CA 0.734 54.651 54.000 -0.140 0.000 0.857 207 D CB -0.333 40.397 40.800 -0.117 0.000 0.934 207 D HN 0.376 nan 8.370 nan 0.000 0.475 208 L N -0.710 120.258 121.223 -0.426 0.000 2.341 208 L HA 0.071 4.411 4.340 0.001 0.000 0.214 208 L C 1.960 178.564 176.870 -0.443 0.000 1.115 208 L CA 0.767 55.354 54.840 -0.423 0.000 0.820 208 L CB -0.052 41.693 42.059 -0.524 0.000 0.944 208 L HN -0.093 nan 8.230 nan 0.000 0.452 209 M N -0.540 118.703 119.600 -0.595 0.000 2.074 209 M HA -0.106 4.374 4.480 0.001 0.000 0.258 209 M C 2.434 178.506 176.300 -0.380 0.000 1.083 209 M CA 1.706 56.552 55.300 -0.758 0.000 1.128 209 M CB -0.690 31.441 32.600 -0.783 0.000 1.301 209 M HN 0.414 nan 8.290 nan 0.000 0.417 210 A N 1.045 123.641 122.820 -0.374 0.000 1.859 210 A HA -0.265 4.055 4.320 0.001 0.000 0.218 210 A C 1.645 179.142 177.584 -0.145 0.000 1.209 210 A CA 2.561 54.450 52.037 -0.248 0.000 0.639 210 A CB -1.299 17.519 19.000 -0.304 0.000 0.835 210 A HN 0.519 nan 8.150 nan 0.000 0.450 211 D N -0.182 120.130 120.400 -0.145 0.000 2.228 211 D HA -0.052 4.589 4.640 0.001 0.000 0.203 211 D C 1.958 178.224 176.300 -0.056 0.000 0.988 211 D CA 1.484 55.431 54.000 -0.089 0.000 0.864 211 D CB -0.346 40.400 40.800 -0.089 0.000 0.928 211 D HN 0.514 nan 8.370 nan 0.000 0.469 212 A N 0.124 122.915 122.820 -0.048 0.000 1.935 212 A HA -0.106 4.214 4.320 0.001 0.000 0.214 212 A C 2.102 179.710 177.584 0.041 0.000 1.178 212 A CA 0.841 52.901 52.037 0.038 0.000 0.640 212 A CB -0.396 18.704 19.000 0.167 0.000 0.825 212 A HN 0.140 nan 8.150 nan 0.000 0.447 213 Q N -0.004 119.810 119.800 0.024 0.000 2.020 213 Q HA -0.245 4.095 4.340 0.001 0.000 0.202 213 Q C 2.329 178.333 176.000 0.007 0.000 0.982 213 Q CA 1.982 57.803 55.803 0.030 0.000 0.838 213 Q CB -0.194 28.552 28.738 0.012 0.000 0.899 213 Q HN 0.734 nan 8.270 nan 0.000 0.423 214 R N 0.338 120.831 120.500 -0.011 0.000 2.193 214 R HA -0.126 4.214 4.340 0.001 0.000 0.229 214 R C 0.649 176.942 176.300 -0.010 0.000 1.110 214 R CA 1.746 57.839 56.100 -0.012 0.000 0.988 214 R CB -0.059 30.230 30.300 -0.019 0.000 0.871 214 R HN 0.279 nan 8.270 nan 0.000 0.458 215 E N 0.982 121.175 120.200 -0.010 0.000 2.419 215 E HA -0.004 4.347 4.350 0.001 0.000 0.190 215 E C -0.713 175.880 176.600 -0.011 0.000 1.040 215 E CA 0.111 56.503 56.400 -0.013 0.000 0.900 215 E CB 0.117 29.806 29.700 -0.018 0.000 1.054 215 E HN 0.316 nan 8.360 nan 0.000 0.462 216 D N 2.021 122.418 120.400 -0.005 0.000 2.803 216 D HA -0.214 4.427 4.640 0.001 0.000 0.233 216 D C -0.823 175.463 176.300 -0.023 0.000 1.182 216 D CA 0.942 54.937 54.000 -0.009 0.000 0.726 216 D CB -0.614 40.180 40.800 -0.010 0.000 0.987 216 D HN 0.430 nan 8.370 nan 0.000 0.412 217 R N -0.550 119.938 120.500 -0.020 0.000 2.668 217 R HA 0.720 5.060 4.340 0.001 0.000 0.272 217 R C -3.145 173.113 176.300 -0.071 0.000 1.019 217 R CA -1.960 54.104 56.100 -0.060 0.000 0.894 217 R CB 1.367 31.640 30.300 -0.044 0.000 1.228 217 R HN -0.108 nan 8.270 nan 0.000 0.460 218 P HA 0.117 nan 4.420 nan 0.000 0.276 218 P C -0.956 176.250 177.300 -0.155 0.000 1.230 218 P CA -0.208 62.653 63.100 -0.397 0.000 0.776 218 P CB 0.257 31.406 31.700 -0.918 0.000 0.888 219 F N 1.578 121.557 119.950 0.049 0.000 2.440 219 F HA 0.697 5.224 4.527 0.001 0.000 0.328 219 F C -0.808 175.275 175.800 0.472 0.000 1.070 219 F CA -1.657 56.478 58.000 0.225 0.000 1.011 219 F CB 0.774 39.842 39.000 0.112 0.000 1.226 219 F HN 0.122 nan 8.300 nan 0.000 0.491 220 F N 4.912 125.149 119.950 0.477 0.000 2.325 220 F HA 0.565 5.093 4.527 0.001 0.000 0.369 220 F C -1.607 174.445 175.800 0.419 0.000 1.095 220 F CA -1.917 56.261 58.000 0.297 0.000 1.082 220 F CB 0.957 40.004 39.000 0.078 0.000 1.289 220 F HN 0.591 nan 8.300 nan 0.000 0.462 221 L N 7.830 129.192 121.223 0.231 0.000 2.272 221 L HA 0.390 4.730 4.340 0.001 0.000 0.289 221 L C -1.777 175.001 176.870 -0.152 0.000 1.032 221 L CA -0.544 54.319 54.840 0.039 0.000 0.810 221 L CB 0.796 42.973 42.059 0.197 0.000 1.205 221 L HN 0.549 nan 8.230 nan 0.000 0.422 222 Y N 6.155 126.225 120.300 -0.383 0.000 2.700 222 Y HA 0.284 4.834 4.550 0.001 0.000 0.333 222 Y C -1.410 174.479 175.900 -0.019 0.000 1.036 222 Y CA -1.140 56.816 58.100 -0.241 0.000 1.287 222 Y CB 0.063 38.392 38.460 -0.218 0.000 1.132 222 Y HN 0.624 nan 8.280 nan 0.000 0.510 223 Y N 5.432 125.589 120.300 -0.239 0.000 2.676 223 Y HA 0.598 5.149 4.550 0.001 0.000 0.338 223 Y C -0.352 175.297 175.900 -0.419 0.000 1.057 223 Y CA -1.884 56.028 58.100 -0.313 0.000 1.314 223 Y CB 0.021 38.431 38.460 -0.083 0.000 1.164 223 Y HN 0.674 nan 8.280 nan 0.000 0.509 224 A N 4.748 127.081 122.820 -0.813 0.000 2.805 224 A HA 0.347 4.668 4.320 0.001 0.000 0.301 224 A C 0.641 177.790 177.584 -0.726 0.000 1.557 224 A CA -0.036 51.591 52.037 -0.683 0.000 1.254 224 A CB -0.641 18.002 19.000 -0.594 0.000 1.114 224 A HN 0.659 nan 8.150 nan 0.000 0.553 225 S N 0.695 115.902 115.700 -0.822 0.000 2.584 225 S HA 0.154 4.625 4.470 0.001 0.000 0.270 225 S C 1.084 175.380 174.600 -0.506 0.000 1.346 225 S CA -0.025 57.748 58.200 -0.711 0.000 1.018 225 S CB 0.215 63.057 63.200 -0.597 0.000 0.899 225 S HN 0.744 nan 8.310 nan 0.000 0.542 226 H N 0.587 119.551 119.070 -0.176 0.000 2.497 226 H HA 0.197 4.753 4.556 0.001 0.000 0.282 226 H C 0.240 175.546 175.328 -0.037 0.000 1.003 226 H CA 0.453 56.452 56.048 -0.081 0.000 1.307 226 H CB -0.001 29.669 29.762 -0.154 0.000 1.437 226 H HN 0.532 nan 8.280 nan 0.000 0.544 227 H N 0.899 119.924 119.070 -0.075 0.000 2.848 227 H HA 0.050 4.606 4.556 0.001 0.000 0.341 227 H C 0.669 175.938 175.328 -0.099 0.000 1.060 227 H CA 0.563 56.501 56.048 -0.184 0.000 1.444 227 H CB 0.608 30.186 29.762 -0.307 0.000 1.446 227 H HN 0.278 nan 8.280 nan 0.000 0.583 228 T N 0.153 114.743 114.554 0.060 0.000 3.327 228 T HA 0.046 4.397 4.350 0.001 0.000 0.244 228 T C 0.303 175.122 174.700 0.198 0.000 1.074 228 T CA -0.729 61.362 62.100 -0.015 0.000 1.156 228 T CB -0.356 68.271 68.868 -0.402 0.000 1.087 228 T HN 0.508 nan 8.240 nan 0.000 0.575 229 H N 1.641 120.848 119.070 0.228 0.000 2.629 229 H HA 0.215 4.771 4.556 0.001 0.000 0.357 229 H C -0.395 175.133 175.328 0.333 0.000 1.121 229 H CA -0.500 55.721 56.048 0.287 0.000 1.406 229 H CB 0.586 30.517 29.762 0.281 0.000 1.456 229 H HN 0.553 nan 8.280 nan 0.000 0.579 230 Y N 5.563 125.956 120.300 0.155 0.000 2.457 230 Y HA 0.168 4.719 4.550 0.002 0.000 0.341 230 Y C -2.296 173.680 175.900 0.127 0.000 1.240 230 Y CA -1.733 56.481 58.100 0.190 0.000 1.437 230 Y CB 0.312 38.800 38.460 0.047 0.000 1.328 230 Y HN 0.497 nan 8.280 nan 0.000 0.588 231 P HA 0.071 nan 4.420 nan 0.000 0.274 231 P C -1.337 176.080 177.300 0.195 0.000 1.231 231 P CA -0.218 62.529 63.100 -0.589 0.000 0.790 231 P CB 0.667 32.065 31.700 -0.503 0.000 0.951 232 Q N 1.722 121.650 119.800 0.213 0.000 2.293 232 Q HA 0.484 4.825 4.340 0.001 0.000 0.251 232 Q C -0.214 175.852 176.000 0.109 0.000 0.930 232 Q CA 0.142 56.092 55.803 0.245 0.000 0.893 232 Q CB 0.396 29.306 28.738 0.287 0.000 1.215 232 Q HN 0.532 nan 8.270 nan 0.000 0.425 233 F N -1.943 117.856 119.950 -0.251 0.000 2.668 233 F HA 0.752 5.279 4.527 0.001 0.000 0.309 233 F C -0.816 174.823 175.800 -0.269 0.000 1.117 233 F CA -1.010 56.529 58.000 -0.769 0.000 0.951 233 F CB 1.467 40.142 39.000 -0.541 0.000 1.323 233 F HN 0.503 nan 8.300 nan 0.000 0.451 234 S N 0.620 116.224 115.700 -0.160 0.000 2.587 234 S HA 0.758 5.229 4.470 0.001 0.000 0.269 234 S C -0.559 174.150 174.600 0.182 0.000 1.154 234 S CA -0.410 57.863 58.200 0.121 0.000 0.824 234 S CB 0.948 64.287 63.200 0.232 0.000 1.118 234 S HN 1.670 nan 8.310 nan 0.000 0.462 235 G N 0.038 108.994 108.800 0.260 0.000 2.667 235 G HA2 0.300 4.260 3.960 0.001 0.000 0.250 235 G HA3 0.300 4.260 3.960 0.001 0.000 0.250 235 G C 0.355 175.367 174.900 0.186 0.000 1.212 235 G CA -0.326 44.892 45.100 0.197 0.000 0.874 235 G HN 0.873 nan 8.290 nan 0.000 0.561 236 Q N -0.753 119.112 119.800 0.108 0.000 2.437 236 Q HA -0.087 4.254 4.340 0.001 0.000 0.210 236 Q C 2.454 178.415 176.000 -0.066 0.000 0.972 236 Q CA 1.091 56.933 55.803 0.064 0.000 0.903 236 Q CB -0.024 28.756 28.738 0.070 0.000 0.967 236 Q HN 0.574 nan 8.270 nan 0.000 0.486 237 S N -0.425 115.122 115.700 -0.253 0.000 2.453 237 S HA -0.032 4.438 4.470 0.001 0.000 0.231 237 S C 0.847 175.031 174.600 -0.693 0.000 1.005 237 S CA 0.602 58.467 58.200 -0.559 0.000 0.949 237 S CB 0.026 62.663 63.200 -0.937 0.000 0.774 237 S HN 0.333 nan 8.310 nan 0.000 0.510 238 F N 1.335 121.299 119.950 0.024 0.000 2.720 238 F HA 0.490 5.017 4.527 0.001 0.000 0.301 238 F C 1.227 177.026 175.800 -0.001 0.000 1.103 238 F CA -0.980 57.019 58.000 -0.001 0.000 1.291 238 F CB -0.439 38.549 39.000 -0.020 0.000 1.086 238 F HN 0.010 nan 8.300 nan 0.000 0.592 239 A N 0.953 123.878 122.820 0.174 0.000 2.545 239 A HA 0.188 4.509 4.320 0.001 0.000 0.253 239 A C 1.090 178.658 177.584 -0.027 0.000 1.074 239 A CA 0.245 52.345 52.037 0.105 0.000 0.760 239 A CB -0.501 18.610 19.000 0.186 0.000 1.005 239 A HN 0.544 nan 8.150 nan 0.000 0.506 240 E N -0.335 119.784 120.200 -0.136 0.000 2.971 240 E HA -0.311 4.040 4.350 0.001 0.000 0.278 240 E C 1.100 177.672 176.600 -0.047 0.000 1.009 240 E CA 1.778 58.112 56.400 -0.110 0.000 0.862 240 E CB -1.429 28.217 29.700 -0.091 0.000 1.436 240 E HN 1.009 nan 8.360 nan 0.000 0.434 241 R N -0.051 120.442 120.500 -0.012 0.000 2.250 241 R HA 0.295 4.636 4.340 0.001 0.000 0.194 241 R C 1.189 177.501 176.300 0.019 0.000 0.927 241 R CA 0.921 57.028 56.100 0.011 0.000 1.052 241 R CB -0.116 30.208 30.300 0.041 0.000 1.055 241 R HN 0.407 nan 8.270 nan 0.000 0.537 242 S N -0.677 115.032 115.700 0.015 0.000 2.603 242 S HA 0.456 4.926 4.470 0.001 0.000 0.268 242 S C 1.074 175.675 174.600 0.002 0.000 1.317 242 S CA 0.003 58.208 58.200 0.008 0.000 1.012 242 S CB 1.545 64.735 63.200 -0.018 0.000 0.926 242 S HN 0.586 nan 8.310 nan 0.000 0.539 243 G N 0.316 109.124 108.800 0.014 0.000 3.814 243 G HA2 0.235 4.195 3.960 0.001 0.000 0.293 243 G HA3 0.235 4.195 3.960 0.001 0.000 0.293 243 G C 0.513 175.429 174.900 0.027 0.000 1.243 243 G CA -0.641 44.468 45.100 0.015 0.000 1.053 243 G HN 0.742 nan 8.290 nan 0.000 0.562 244 R N 0.485 121.000 120.500 0.026 0.000 2.659 244 R HA 0.396 4.736 4.340 0.001 0.000 0.418 244 R C 1.096 177.425 176.300 0.048 0.000 1.076 244 R CA 0.448 56.578 56.100 0.049 0.000 1.093 244 R CB -0.181 30.154 30.300 0.059 0.000 1.400 244 R HN 0.457 nan 8.270 nan 0.000 0.583 245 G N 1.348 110.150 108.800 0.003 0.000 2.645 245 G HA2 -0.287 3.674 3.960 0.001 0.000 0.246 245 G HA3 -0.287 3.674 3.960 0.001 0.000 0.246 245 G C -1.780 173.090 174.900 -0.050 0.000 1.322 245 G CA -0.248 44.835 45.100 -0.029 0.000 0.898 245 G HN 0.162 nan 8.290 nan 0.000 0.573 246 P HA -0.077 nan 4.420 nan 0.000 0.216 246 P C 1.703 179.041 177.300 0.064 0.000 1.150 246 P CA 2.005 65.070 63.100 -0.058 0.000 0.843 246 P CB -0.076 31.655 31.700 0.051 0.000 0.787 247 F N 0.535 120.482 119.950 -0.005 0.000 2.206 247 F HA 0.050 4.578 4.527 0.001 0.000 0.298 247 F C 2.252 178.001 175.800 -0.084 0.000 1.090 247 F CA 1.687 59.675 58.000 -0.019 0.000 1.323 247 F CB -0.840 38.147 39.000 -0.022 0.000 1.028 247 F HN -0.134 nan 8.300 nan 0.000 0.492 248 G N -0.020 108.815 108.800 0.059 0.000 2.421 248 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 248 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 248 G C 1.335 176.132 174.900 -0.171 0.000 1.171 248 G CA 1.050 46.119 45.100 -0.051 0.000 0.775 248 G HN 0.295 nan 8.290 nan 0.000 0.543 249 D N 0.386 120.708 120.400 -0.130 0.000 2.123 249 D HA -0.130 4.510 4.640 0.001 0.000 0.196 249 D C 2.664 178.816 176.300 -0.247 0.000 0.992 249 D CA 1.476 55.416 54.000 -0.101 0.000 0.833 249 D CB -0.459 40.308 40.800 -0.056 0.000 0.954 249 D HN 0.312 nan 8.370 nan 0.000 0.455 250 S N -0.312 115.180 115.700 -0.346 0.000 2.402 250 S HA -0.112 4.358 4.470 0.001 0.000 0.229 250 S C 1.802 175.840 174.600 -0.937 0.000 1.021 250 S CA 0.524 58.271 58.200 -0.755 0.000 0.974 250 S CB -0.103 62.765 63.200 -0.553 0.000 0.800 250 S HN 0.212 nan 8.310 nan 0.000 0.484 251 L N 0.707 121.525 121.223 -0.675 0.000 2.209 251 L HA 0.340 4.681 4.340 0.001 0.000 0.207 251 L C 2.292 178.902 176.870 -0.433 0.000 1.094 251 L CA 1.528 56.045 54.840 -0.539 0.000 0.790 251 L CB -0.555 41.239 42.059 -0.442 0.000 0.932 251 L HN 0.387 nan 8.230 nan 0.000 0.447 252 M N -0.427 118.938 119.600 -0.392 0.000 2.108 252 M HA -0.257 4.223 4.480 0.001 0.000 0.261 252 M C 2.223 178.104 176.300 -0.700 0.000 1.066 252 M CA 2.224 57.308 55.300 -0.361 0.000 1.107 252 M CB -0.144 32.354 32.600 -0.171 0.000 1.356 252 M HN 0.504 nan 8.290 nan 0.000 0.406 253 E N 0.298 119.895 120.200 -1.004 0.000 2.077 253 E HA -0.239 4.111 4.350 0.001 0.000 0.193 253 E C 2.040 178.288 176.600 -0.587 0.000 0.989 253 E CA 1.231 56.862 56.400 -1.283 0.000 0.800 253 E CB -0.301 28.859 29.700 -0.900 0.000 0.746 253 E HN 0.621 nan 8.360 nan 0.000 0.452 254 L N 0.773 121.754 121.223 -0.403 0.000 2.079 254 L HA -0.223 4.118 4.340 0.001 0.000 0.210 254 L C 2.045 178.870 176.870 -0.075 0.000 1.081 254 L CA 2.219 57.013 54.840 -0.077 0.000 0.752 254 L CB -0.308 41.708 42.059 -0.071 0.000 0.896 254 L HN 0.283 nan 8.230 nan 0.000 0.433 255 D N -0.663 119.620 120.400 -0.195 0.000 2.123 255 D HA -0.141 4.499 4.640 0.001 0.000 0.200 255 D C 2.149 178.376 176.300 -0.121 0.000 0.976 255 D CA 1.224 55.123 54.000 -0.168 0.000 0.831 255 D CB 0.164 40.853 40.800 -0.186 0.000 0.974 255 D HN 0.362 nan 8.370 nan 0.000 0.469 256 A N 0.503 123.223 122.820 -0.167 0.000 1.933 256 A HA 0.041 4.362 4.320 0.001 0.000 0.218 256 A C 2.353 179.941 177.584 0.006 0.000 1.175 256 A CA 1.929 53.939 52.037 -0.045 0.000 0.628 256 A CB -1.045 17.975 19.000 0.033 0.000 0.814 256 A HN 0.326 nan 8.150 nan 0.000 0.444 257 A N -0.528 122.285 122.820 -0.010 0.000 1.908 257 A HA -0.047 4.273 4.320 0.001 0.000 0.218 257 A C 2.246 179.860 177.584 0.049 0.000 1.181 257 A CA 1.870 53.941 52.037 0.056 0.000 0.627 257 A CB -0.991 18.099 19.000 0.150 0.000 0.818 257 A HN 0.385 nan 8.150 nan 0.000 0.445 258 V N -0.078 119.866 119.914 0.049 0.000 2.295 258 V HA -0.203 3.917 4.120 0.001 0.000 0.246 258 V C 2.844 178.933 176.094 -0.009 0.000 1.049 258 V CA 2.033 64.351 62.300 0.030 0.000 1.024 258 V CB -1.474 30.327 31.823 -0.036 0.000 0.648 258 V HN 0.635 nan 8.190 nan 0.000 0.447 259 G N -0.683 108.104 108.800 -0.021 0.000 2.476 259 G HA2 -0.317 3.643 3.960 0.001 0.000 0.218 259 G HA3 -0.317 3.643 3.960 0.001 0.000 0.218 259 G C 1.699 176.607 174.900 0.013 0.000 1.164 259 G CA 1.764 46.856 45.100 -0.013 0.000 0.768 259 G HN 0.456 nan 8.290 nan 0.000 0.560 260 T N 1.095 115.666 114.554 0.027 0.000 2.684 260 T HA -0.105 4.246 4.350 0.001 0.000 0.267 260 T C 2.312 177.031 174.700 0.031 0.000 1.036 260 T CA 1.133 63.253 62.100 0.034 0.000 1.148 260 T CB -0.219 68.672 68.868 0.037 0.000 0.863 260 T HN 0.045 nan 8.240 nan 0.000 0.436 261 L N 0.277 121.511 121.223 0.019 0.000 2.191 261 L HA 0.051 4.392 4.340 0.001 0.000 0.212 261 L C 2.248 179.150 176.870 0.053 0.000 1.103 261 L CA 1.399 56.255 54.840 0.027 0.000 0.769 261 L CB -0.882 41.193 42.059 0.028 0.000 0.908 261 L HN 0.234 nan 8.230 nan 0.000 0.438 262 M N -1.226 118.398 119.600 0.039 0.000 2.156 262 M HA -0.077 4.403 4.480 0.001 0.000 0.264 262 M C 2.255 178.596 176.300 0.068 0.000 1.067 262 M CA 1.546 56.873 55.300 0.044 0.000 1.131 262 M CB -1.178 31.409 32.600 -0.022 0.000 1.368 262 M HN 0.170 nan 8.290 nan 0.000 0.416 263 T N 0.650 115.238 114.554 0.056 0.000 2.652 263 T HA -0.133 4.217 4.350 0.001 0.000 0.267 263 T C 1.841 176.588 174.700 0.078 0.000 1.039 263 T CA 1.798 63.937 62.100 0.064 0.000 1.153 263 T CB -0.622 68.278 68.868 0.052 0.000 0.863 263 T HN 0.460 nan 8.240 nan 0.000 0.428 264 A N 1.017 123.886 122.820 0.082 0.000 1.978 264 A HA -0.038 4.282 4.320 0.001 0.000 0.220 264 A C 2.285 179.914 177.584 0.074 0.000 1.170 264 A CA 1.220 53.313 52.037 0.094 0.000 0.636 264 A CB -0.836 18.228 19.000 0.107 0.000 0.810 264 A HN 0.570 nan 8.150 nan 0.000 0.448 265 I N -0.638 119.990 120.570 0.097 0.000 2.439 265 I HA -0.134 4.037 4.170 0.001 0.000 0.251 265 I C 2.560 178.754 176.117 0.129 0.000 1.139 265 I CA 0.692 62.075 61.300 0.138 0.000 1.438 265 I CB -0.690 37.424 38.000 0.191 0.000 1.085 265 I HN 0.403 nan 8.210 nan 0.000 0.427 266 G N 1.253 110.122 108.800 0.114 0.000 2.736 266 G HA2 -0.264 3.697 3.960 0.001 0.000 0.214 266 G HA3 -0.264 3.697 3.960 0.001 0.000 0.214 266 G C 1.116 176.068 174.900 0.088 0.000 1.327 266 G CA 1.072 46.235 45.100 0.104 0.000 0.818 266 G HN 0.249 nan 8.290 nan 0.000 0.611 267 D N 0.674 121.121 120.400 0.079 0.000 2.345 267 D HA -0.158 4.482 4.640 0.001 0.000 0.190 267 D C 2.111 178.450 176.300 0.065 0.000 1.024 267 D CA 1.015 55.058 54.000 0.072 0.000 0.893 267 D CB -0.432 40.418 40.800 0.083 0.000 0.907 267 D HN 0.336 nan 8.370 nan 0.000 0.452 268 L N -0.546 120.713 121.223 0.060 0.000 2.737 268 L HA 0.289 4.629 4.340 0.001 0.000 0.236 268 L C 1.205 178.115 176.870 0.068 0.000 1.219 268 L CA 0.014 54.884 54.840 0.050 0.000 1.021 268 L CB -0.549 41.525 42.059 0.026 0.000 1.291 268 L HN 0.035 nan 8.230 nan 0.000 0.470 269 G N 1.229 110.074 108.800 0.076 0.000 2.356 269 G HA2 -0.287 3.673 3.960 0.001 0.000 0.296 269 G HA3 -0.287 3.673 3.960 0.001 0.000 0.296 269 G C 0.448 175.409 174.900 0.103 0.000 1.022 269 G CA 0.343 45.493 45.100 0.083 0.000 0.961 269 G HN 0.485 nan 8.290 nan 0.000 0.510 270 L N -0.926 120.373 121.223 0.127 0.000 3.014 270 L HA 0.337 4.678 4.340 0.001 0.000 0.263 270 L C 2.449 179.423 176.870 0.173 0.000 1.207 270 L CA -0.467 54.463 54.840 0.149 0.000 1.017 270 L CB 0.009 42.177 42.059 0.182 0.000 1.360 270 L HN 0.280 nan 8.230 nan 0.000 0.560 271 L N 0.152 121.482 121.223 0.179 0.000 1.933 271 L HA -0.222 4.118 4.340 0.001 0.000 0.220 271 L C 2.148 179.163 176.870 0.241 0.000 1.078 271 L CA 1.700 56.673 54.840 0.221 0.000 0.773 271 L CB -0.457 41.732 42.059 0.217 0.000 0.890 271 L HN 0.361 nan 8.230 nan 0.000 0.434 272 E N 0.064 120.396 120.200 0.220 0.000 2.501 272 E HA -0.209 4.142 4.350 0.001 0.000 0.203 272 E C 1.105 177.923 176.600 0.363 0.000 1.072 272 E CA 0.777 57.348 56.400 0.286 0.000 0.885 272 E CB -0.159 29.673 29.700 0.221 0.000 0.813 272 E HN 0.623 nan 8.360 nan 0.000 0.556 273 E N 0.165 120.522 120.200 0.261 0.000 2.562 273 E HA 0.068 4.419 4.350 0.001 0.000 0.214 273 E C -0.417 176.187 176.600 0.008 0.000 0.979 273 E CA 0.056 56.573 56.400 0.196 0.000 1.002 273 E CB 1.025 30.798 29.700 0.121 0.000 1.048 273 E HN -0.052 nan 8.360 nan 0.000 0.488 274 T N 1.420 115.963 114.554 -0.018 0.000 2.792 274 T HA 0.288 4.639 4.350 0.001 0.000 0.280 274 T C -0.769 173.658 174.700 -0.454 0.000 0.990 274 T CA -0.653 61.312 62.100 -0.225 0.000 0.960 274 T CB 1.463 70.335 68.868 0.007 0.000 0.939 274 T HN -0.055 nan 8.240 nan 0.000 0.439 275 L N 5.665 126.419 121.223 -0.781 0.000 2.315 275 L HA 0.479 4.819 4.340 0.001 0.000 0.283 275 L C -0.775 176.014 176.870 -0.134 0.000 1.089 275 L CA -0.063 54.390 54.840 -0.644 0.000 0.833 275 L CB 0.116 41.702 42.059 -0.788 0.000 1.170 275 L HN 0.429 nan 8.230 nan 0.000 0.442 276 V N 7.468 127.437 119.914 0.091 0.000 2.357 276 V HA 0.449 4.569 4.120 0.001 0.000 0.284 276 V C 0.233 176.453 176.094 0.210 0.000 1.018 276 V CA -0.447 61.964 62.300 0.185 0.000 0.841 276 V CB 1.334 33.302 31.823 0.241 0.000 0.991 276 V HN 0.613 nan 8.190 nan 0.000 0.437 277 I N 5.206 125.888 120.570 0.187 0.000 2.404 277 I HA 0.465 4.635 4.170 0.001 0.000 0.293 277 I C -0.816 175.439 176.117 0.231 0.000 0.992 277 I CA -0.466 60.942 61.300 0.180 0.000 1.149 277 I CB 1.770 39.834 38.000 0.108 0.000 1.315 277 I HN 0.559 nan 8.210 nan 0.000 0.446 278 F N 6.239 126.212 119.950 0.040 0.000 2.469 278 F HA 0.675 5.202 4.527 0.001 0.000 0.332 278 F C -0.138 175.635 175.800 -0.045 0.000 1.103 278 F CA 0.123 58.140 58.000 0.030 0.000 0.979 278 F CB 1.402 40.417 39.000 0.026 0.000 1.137 278 F HN 0.545 nan 8.300 nan 0.000 0.463 279 T N 2.435 116.668 114.554 -0.535 0.000 2.587 279 T HA 0.903 5.254 4.350 0.001 0.000 0.282 279 T C -1.206 173.089 174.700 -0.674 0.000 1.018 279 T CA -0.732 61.066 62.100 -0.502 0.000 1.120 279 T CB 1.013 69.782 68.868 -0.165 0.000 1.538 279 T HN 0.851 nan 8.240 nan 0.000 0.480 280 A N 0.621 123.176 122.820 -0.442 0.000 2.594 280 A HA 0.653 4.973 4.320 0.001 0.000 0.295 280 A C 0.123 177.273 177.584 -0.723 0.000 1.071 280 A CA -0.382 51.265 52.037 -0.649 0.000 0.685 280 A CB 1.233 19.980 19.000 -0.422 0.000 1.285 280 A HN 0.816 nan 8.150 nan 0.000 0.405 281 D N 0.612 120.423 120.400 -0.982 0.000 2.183 281 D HA -0.027 4.614 4.640 0.001 0.000 0.203 281 D C 0.331 176.542 176.300 -0.150 0.000 0.969 281 D CA 1.554 55.164 54.000 -0.650 0.000 0.842 281 D CB -0.129 40.383 40.800 -0.480 0.000 0.957 281 D HN 0.701 nan 8.370 nan 0.000 0.484 282 N N -1.616 117.016 118.700 -0.114 0.000 3.227 282 N HA 0.246 4.986 4.740 0.001 0.000 0.241 282 N C 0.126 175.628 175.510 -0.012 0.000 1.480 282 N CA -0.561 52.479 53.050 -0.016 0.000 0.886 282 N CB 0.701 39.186 38.487 -0.003 0.000 1.406 282 N HN 0.036 nan 8.380 nan 0.000 0.514 283 G N -0.079 108.734 108.800 0.021 0.000 2.750 283 G HA2 0.297 4.257 3.960 0.001 0.000 0.250 283 G HA3 0.297 4.257 3.960 0.001 0.000 0.250 283 G C -2.389 172.523 174.900 0.020 0.000 1.230 283 G CA -0.463 44.653 45.100 0.027 0.000 0.883 283 G HN 0.495 nan 8.290 nan 0.000 0.573 284 P HA 0.140 nan 4.420 nan 0.000 0.272 284 P C -0.571 176.738 177.300 0.014 0.000 1.223 284 P CA -0.193 62.916 63.100 0.015 0.000 0.784 284 P CB 1.020 32.707 31.700 -0.021 0.000 0.923 285 E N 0.872 121.078 120.200 0.011 0.000 1.924 285 E HA 0.097 4.447 4.350 0.001 0.000 0.261 285 E C 0.841 177.445 176.600 0.006 0.000 1.088 285 E CA -0.192 56.225 56.400 0.028 0.000 0.909 285 E CB -0.132 29.576 29.700 0.013 0.000 1.112 285 E HN 0.386 nan 8.360 nan 0.000 0.425 286 T N 1.671 116.229 114.554 0.007 0.000 3.072 286 T HA -0.178 4.172 4.350 0.001 0.000 0.266 286 T C 1.690 176.376 174.700 -0.024 0.000 1.127 286 T CA 0.363 62.450 62.100 -0.021 0.000 1.107 286 T CB -0.024 68.837 68.868 -0.012 0.000 0.910 286 T HN 0.490 nan 8.240 nan 0.000 0.513 287 M N 0.918 120.508 119.600 -0.016 0.000 2.260 287 M HA -0.089 4.392 4.480 0.001 0.000 0.261 287 M C 1.306 177.570 176.300 -0.060 0.000 1.066 287 M CA 1.430 56.700 55.300 -0.049 0.000 1.082 287 M CB -0.271 32.290 32.600 -0.065 0.000 1.388 287 M HN 0.123 nan 8.290 nan 0.000 0.419 288 R N 0.334 120.809 120.500 -0.042 0.000 2.320 288 R HA 0.205 4.546 4.340 0.001 0.000 0.211 288 R C 1.032 177.330 176.300 -0.004 0.000 0.931 288 R CA 0.166 56.254 56.100 -0.020 0.000 1.071 288 R CB -0.620 29.703 30.300 0.039 0.000 1.025 288 R HN 0.580 nan 8.270 nan 0.000 0.495 289 M N -0.678 118.904 119.600 -0.029 0.000 7.319 289 M HA -0.354 4.127 4.480 0.001 0.000 0.313 289 M C 1.182 177.459 176.300 -0.039 0.000 0.480 289 M CA 2.258 57.539 55.300 -0.031 0.000 1.311 289 M CB -1.460 31.129 32.600 -0.018 0.000 0.421 289 M HN 0.263 nan 8.290 nan 0.000 0.747 290 S N 0.871 116.562 115.700 -0.015 0.000 2.701 290 S HA 0.187 4.658 4.470 0.001 0.000 0.220 290 S C 0.947 175.558 174.600 0.017 0.000 0.954 290 S CA 0.500 58.687 58.200 -0.022 0.000 0.936 290 S CB -0.288 62.912 63.200 -0.000 0.000 0.777 290 S HN 0.516 nan 8.310 nan 0.000 0.518 291 R N 0.450 120.989 120.500 0.064 0.000 2.427 291 R HA 0.344 4.684 4.340 0.001 0.000 0.262 291 R C 0.826 177.268 176.300 0.236 0.000 0.943 291 R CA 0.126 56.341 56.100 0.191 0.000 1.081 291 R CB 0.756 31.186 30.300 0.217 0.000 1.166 291 R HN 0.485 nan 8.270 nan 0.000 0.534 292 G N -1.064 107.712 108.800 -0.039 0.000 2.714 292 G HA2 0.528 4.489 3.960 0.001 0.000 0.292 292 G HA3 0.528 4.489 3.960 0.001 0.000 0.292 292 G C -0.197 174.232 174.900 -0.784 0.000 1.308 292 G CA -0.611 44.394 45.100 -0.157 0.000 0.964 292 G HN 0.122 nan 8.290 nan 0.000 0.484 293 G N -1.945 106.472 108.800 -0.639 0.000 2.570 293 G HA2 0.410 4.371 3.960 0.001 0.000 0.276 293 G HA3 0.410 4.371 3.960 0.001 0.000 0.276 293 G C -0.617 174.072 174.900 -0.352 0.000 1.346 293 G CA 0.056 44.740 45.100 -0.693 0.000 1.034 293 G HN 1.027 nan 8.290 nan 0.000 0.512 294 C N -0.433 118.765 119.300 -0.170 0.000 2.481 294 C HA 0.597 5.058 4.460 0.001 0.000 0.324 294 C C 1.184 176.197 174.990 0.039 0.000 1.170 294 C CA -0.134 58.864 59.018 -0.033 0.000 1.361 294 C CB 0.806 28.598 27.740 0.088 0.000 1.977 294 C HN 0.844 nan 8.230 nan 0.000 0.459 295 S N 3.934 119.657 115.700 0.039 0.000 2.597 295 S HA 0.447 4.918 4.470 0.001 0.000 0.224 295 S C 1.175 175.845 174.600 0.118 0.000 0.955 295 S CA 0.761 59.005 58.200 0.074 0.000 0.933 295 S CB -0.228 62.984 63.200 0.020 0.000 0.788 295 S HN 2.182 nan 8.310 nan 0.000 0.488 296 G N 3.402 112.272 108.800 0.118 0.000 2.622 296 G HA2 -0.395 3.565 3.960 0.001 0.000 0.307 296 G HA3 -0.395 3.565 3.960 0.001 0.000 0.307 296 G C 0.739 175.679 174.900 0.066 0.000 1.226 296 G CA 0.558 45.736 45.100 0.130 0.000 0.997 296 G HN 1.201 nan 8.290 nan 0.000 0.551 297 L N -0.325 120.942 121.223 0.072 0.000 2.554 297 L HA 0.544 4.885 4.340 0.001 0.000 0.226 297 L C 1.311 178.146 176.870 -0.059 0.000 1.137 297 L CA -0.028 54.813 54.840 0.002 0.000 0.863 297 L CB -0.411 41.654 42.059 0.010 0.000 0.985 297 L HN 0.383 nan 8.230 nan 0.000 0.451 298 L N 0.891 122.068 121.223 -0.077 0.000 2.456 298 L HA 0.339 4.679 4.340 0.001 0.000 0.257 298 L C 0.527 177.327 176.870 -0.117 0.000 1.162 298 L CA -0.467 54.291 54.840 -0.136 0.000 0.808 298 L CB 0.544 42.486 42.059 -0.195 0.000 1.136 298 L HN 0.127 nan 8.230 nan 0.000 0.466 299 R N 0.185 120.597 120.500 -0.146 0.000 2.349 299 R HA 0.411 4.751 4.340 0.001 0.000 0.299 299 R C -0.399 175.814 176.300 -0.144 0.000 1.027 299 R CA -0.174 55.806 56.100 -0.202 0.000 0.958 299 R CB 0.691 30.801 30.300 -0.317 0.000 1.047 299 R HN 0.852 nan 8.270 nan 0.000 0.468 300 c N 0.830 119.341 118.600 -0.148 0.000 0.168 300 c HA -0.116 4.455 4.570 0.001 0.000 0.017 300 c C 0.973 175.072 174.090 0.016 0.000 0.171 300 c CA -0.030 56.263 56.329 -0.059 0.000 0.499 300 c CB -1.623 40.870 42.510 -0.027 0.000 3.212 300 c HN 1.083 nan 8.230 nan 0.000 1.118 301 G N -0.756 108.087 108.800 0.072 0.000 2.588 301 G HA2 0.538 4.498 3.960 0.001 0.000 0.281 301 G HA3 0.538 4.498 3.960 0.001 0.000 0.281 301 G C -1.152 173.806 174.900 0.098 0.000 1.223 301 G CA 0.062 45.204 45.100 0.070 0.000 0.871 301 G HN 1.055 nan 8.290 nan 0.000 0.492 302 K N 0.155 120.601 120.400 0.076 0.000 2.569 302 K HA 0.285 4.605 4.320 0.001 0.000 0.280 302 K C 1.362 178.026 176.600 0.107 0.000 0.984 302 K CA 1.942 58.264 56.287 0.057 0.000 1.064 302 K CB -0.094 32.427 32.500 0.035 0.000 0.866 302 K HN 1.797 nan 8.250 nan 0.000 0.492 303 G N 2.059 110.903 108.800 0.074 0.000 2.258 303 G HA2 -0.289 3.672 3.960 0.001 0.000 0.233 303 G HA3 -0.289 3.672 3.960 0.001 0.000 0.233 303 G C 0.172 175.175 174.900 0.171 0.000 1.006 303 G CA 0.472 45.666 45.100 0.157 0.000 0.620 303 G HN 0.879 nan 8.290 nan 0.000 0.511 304 T N -2.264 112.390 114.554 0.166 0.000 2.938 304 T HA 0.634 4.984 4.350 0.001 0.000 0.285 304 T C 1.120 175.884 174.700 0.106 0.000 1.028 304 T CA 0.863 63.070 62.100 0.179 0.000 1.005 304 T CB 1.672 70.728 68.868 0.313 0.000 1.157 304 T HN 0.824 nan 8.240 nan 0.000 0.550 305 T N -1.993 112.582 114.554 0.034 0.000 3.105 305 T HA 0.263 4.613 4.350 0.001 0.000 0.253 305 T C 0.094 174.708 174.700 -0.144 0.000 1.047 305 T CA -0.417 61.658 62.100 -0.042 0.000 0.944 305 T CB -0.820 68.090 68.868 0.071 0.000 1.016 305 T HN 0.575 nan 8.240 nan 0.000 0.544 306 Y N 2.478 122.825 120.300 0.077 0.000 2.335 306 Y HA 0.185 4.736 4.550 0.000 0.000 0.348 306 Y C 1.929 177.788 175.900 -0.068 0.000 1.280 306 Y CA -0.607 57.513 58.100 0.033 0.000 1.504 306 Y CB 0.544 38.983 38.460 -0.035 0.000 1.366 306 Y HN -0.001 nan 8.280 nan 0.000 0.621 307 E N 1.144 121.396 120.200 0.086 0.000 2.130 307 E HA -0.196 4.155 4.350 0.001 0.000 0.196 307 E C 2.256 178.832 176.600 -0.041 0.000 0.998 307 E CA 1.304 57.687 56.400 -0.027 0.000 0.806 307 E CB -0.627 29.028 29.700 -0.076 0.000 0.738 307 E HN 1.029 nan 8.360 nan 0.000 0.459 308 G N 0.923 109.718 108.800 -0.008 0.000 2.475 308 G HA2 -0.236 3.724 3.960 0.001 0.000 0.220 308 G HA3 -0.236 3.724 3.960 0.001 0.000 0.220 308 G C 1.600 176.519 174.900 0.031 0.000 1.125 308 G CA 1.035 46.133 45.100 -0.004 0.000 0.755 308 G HN 0.417 nan 8.290 nan 0.000 0.565 309 G N -0.307 108.528 108.800 0.059 0.000 2.603 309 G HA2 0.140 4.100 3.960 0.001 0.000 0.214 309 G HA3 0.140 4.100 3.960 0.001 0.000 0.214 309 G C 1.467 176.406 174.900 0.064 0.000 1.140 309 G CA 1.336 46.475 45.100 0.065 0.000 0.800 309 G HN 0.833 nan 8.290 nan 0.000 0.533 310 V N -3.190 116.755 119.914 0.052 0.000 3.477 310 V HA 0.489 4.609 4.120 0.001 0.000 0.297 310 V C 0.633 176.808 176.094 0.135 0.000 1.433 310 V CA -0.429 61.955 62.300 0.140 0.000 1.052 310 V CB -0.022 31.897 31.823 0.161 0.000 0.895 310 V HN 0.098 nan 8.190 nan 0.000 0.438 311 R N 1.893 122.371 120.500 -0.037 0.000 2.215 311 R HA 0.453 4.793 4.340 0.001 0.000 0.336 311 R C -0.652 175.687 176.300 0.066 0.000 0.996 311 R CA -0.231 55.732 56.100 -0.229 0.000 0.847 311 R CB 0.761 30.801 30.300 -0.434 0.000 1.127 311 R HN 0.427 nan 8.270 nan 0.000 0.465 312 E N 4.485 124.776 120.200 0.152 0.000 2.249 312 E HA 0.410 4.761 4.350 0.001 0.000 0.263 312 E C -2.407 174.252 176.600 0.099 0.000 0.950 312 E CA -2.439 54.050 56.400 0.149 0.000 0.827 312 E CB 1.341 31.136 29.700 0.158 0.000 1.220 312 E HN 0.464 nan 8.360 nan 0.000 0.411 313 P HA 0.239 nan 4.420 nan 0.000 0.269 313 P C -1.256 176.007 177.300 -0.063 0.000 1.215 313 P CA -0.163 62.711 63.100 -0.377 0.000 0.780 313 P CB 0.560 31.998 31.700 -0.436 0.000 0.898 314 A N 2.551 125.435 122.820 0.107 0.000 2.512 314 A HA 0.611 4.931 4.320 0.001 0.000 0.294 314 A C -1.466 176.241 177.584 0.204 0.000 1.054 314 A CA -0.523 51.433 52.037 -0.135 0.000 0.756 314 A CB 0.638 19.063 19.000 -0.958 0.000 1.293 314 A HN 0.392 nan 8.150 nan 0.000 0.395 315 L N 1.787 123.141 121.223 0.219 0.000 2.362 315 L HA 0.834 5.175 4.340 0.001 0.000 0.275 315 L C 0.196 177.249 176.870 0.305 0.000 0.998 315 L CA -0.733 54.296 54.840 0.315 0.000 0.820 315 L CB 2.203 44.413 42.059 0.251 0.000 1.270 315 L HN 0.880 nan 8.230 nan 0.000 0.415 316 A N 3.462 126.521 122.820 0.399 0.000 2.332 316 A HA 0.751 5.072 4.320 0.001 0.000 0.300 316 A C -1.477 176.365 177.584 0.430 0.000 1.153 316 A CA -0.309 51.963 52.037 0.391 0.000 0.764 316 A CB 0.992 20.265 19.000 0.456 0.000 1.174 316 A HN 0.543 nan 8.150 nan 0.000 0.467 317 F N 3.170 123.245 119.950 0.208 0.000 2.547 317 F HA 0.745 5.273 4.527 0.001 0.000 0.316 317 F C -1.882 174.084 175.800 0.277 0.000 1.121 317 F CA -0.877 57.254 58.000 0.219 0.000 0.911 317 F CB 1.666 40.764 39.000 0.164 0.000 1.179 317 F HN 0.589 nan 8.300 nan 0.000 0.443 318 W N 10.145 131.229 121.300 -0.360 0.000 2.320 318 W HA 0.370 5.031 4.660 0.001 0.000 0.287 318 W C -3.027 173.296 176.519 -0.327 0.000 1.041 318 W CA -2.780 54.408 57.345 -0.260 0.000 1.148 318 W CB 0.780 30.193 29.460 -0.078 0.000 1.046 318 W HN 0.349 nan 8.180 nan 0.000 0.295 319 P HA 0.232 nan 4.420 nan 0.000 0.265 319 P C 0.979 178.269 177.300 -0.018 0.000 1.193 319 P CA 2.044 65.027 63.100 -0.195 0.000 0.765 319 P CB 0.762 32.357 31.700 -0.175 0.000 0.823 320 G N 2.211 110.940 108.800 -0.119 0.000 2.184 320 G HA2 -0.314 3.646 3.960 0.001 0.000 0.264 320 G HA3 -0.314 3.646 3.960 0.001 0.000 0.264 320 G C 0.710 175.302 174.900 -0.513 0.000 0.975 320 G CA 0.710 45.669 45.100 -0.236 0.000 0.642 320 G HN 0.628 nan 8.290 nan 0.000 0.536 321 H N -0.874 117.872 119.070 -0.539 0.000 2.594 321 H HA 0.495 5.051 4.556 0.001 0.000 0.274 321 H C 1.111 176.245 175.328 -0.323 0.000 0.982 321 H CA 0.522 56.170 56.048 -0.668 0.000 1.228 321 H CB 0.603 29.384 29.762 -1.636 0.000 1.447 321 H HN 0.408 nan 8.280 nan 0.000 0.485 322 I N 1.526 122.074 120.570 -0.037 0.000 2.355 322 I HA 0.447 4.618 4.170 0.001 0.000 0.288 322 I C -0.308 175.800 176.117 -0.016 0.000 0.999 322 I CA -0.997 60.327 61.300 0.040 0.000 1.163 322 I CB 1.534 39.638 38.000 0.173 0.000 1.316 322 I HN 0.142 nan 8.210 nan 0.000 0.454 323 A N 8.030 130.833 122.820 -0.027 0.000 2.354 323 A HA 0.592 4.913 4.320 0.001 0.000 0.269 323 A C -2.356 175.221 177.584 -0.012 0.000 1.109 323 A CA -1.360 50.657 52.037 -0.035 0.000 0.800 323 A CB -0.229 18.747 19.000 -0.042 0.000 1.045 323 A HN 0.445 nan 8.150 nan 0.000 0.489 324 P HA 0.258 nan 4.420 nan 0.000 0.261 324 P C 0.583 177.879 177.300 -0.008 0.000 1.158 324 P CA 1.787 64.897 63.100 0.018 0.000 0.758 324 P CB 0.393 32.102 31.700 0.016 0.000 0.763 325 G N 0.515 109.306 108.800 -0.016 0.000 2.333 325 G HA2 0.349 4.310 3.960 0.001 0.000 0.288 325 G HA3 0.349 4.310 3.960 0.001 0.000 0.288 325 G C -1.984 172.862 174.900 -0.089 0.000 1.286 325 G CA -0.595 44.472 45.100 -0.055 0.000 0.865 325 G HN 0.343 nan 8.290 nan 0.000 0.506 326 V N 1.525 121.351 119.914 -0.147 0.000 2.445 326 V HA 0.564 4.685 4.120 0.001 0.000 0.283 326 V C -0.005 175.890 176.094 -0.332 0.000 1.014 326 V CA -0.397 61.772 62.300 -0.219 0.000 0.852 326 V CB 1.058 32.758 31.823 -0.206 0.000 1.021 326 V HN 1.029 nan 8.190 nan 0.000 0.435 327 T N 1.190 115.530 114.554 -0.357 0.000 2.928 327 T HA 0.470 4.821 4.350 0.001 0.000 0.284 327 T C 0.508 175.050 174.700 -0.264 0.000 1.008 327 T CA -0.444 61.458 62.100 -0.329 0.000 1.057 327 T CB 1.526 70.224 68.868 -0.285 0.000 1.018 327 T HN 0.693 nan 8.240 nan 0.000 0.493 328 H N -1.067 118.027 119.070 0.040 0.000 2.594 328 H HA 0.259 4.815 4.556 0.001 0.000 0.279 328 H C 0.480 175.884 175.328 0.127 0.000 1.042 328 H CA -0.361 55.748 56.048 0.102 0.000 1.177 328 H CB 0.577 30.386 29.762 0.078 0.000 1.524 328 H HN 0.580 nan 8.280 nan 0.000 0.537 329 E N 1.316 121.624 120.200 0.181 0.000 2.392 329 E HA 0.147 4.497 4.350 0.001 0.000 0.259 329 E C -0.255 176.508 176.600 0.271 0.000 1.108 329 E CA -0.442 56.071 56.400 0.188 0.000 0.916 329 E CB 1.166 30.938 29.700 0.120 0.000 0.989 329 E HN 0.243 nan 8.360 nan 0.000 0.432 330 L N 1.602 122.952 121.223 0.213 0.000 2.453 330 L HA 0.358 4.698 4.340 0.001 0.000 0.272 330 L C 0.089 177.121 176.870 0.270 0.000 1.182 330 L CA -0.121 54.867 54.840 0.246 0.000 0.858 330 L CB 0.347 42.486 42.059 0.133 0.000 1.120 330 L HN 0.528 nan 8.230 nan 0.000 0.474 331 A N 2.631 125.632 122.820 0.302 0.000 2.594 331 A HA 0.700 5.020 4.320 0.001 0.000 0.295 331 A C -0.963 176.491 177.584 -0.215 0.000 1.071 331 A CA -0.418 51.725 52.037 0.177 0.000 0.685 331 A CB 2.169 21.444 19.000 0.458 0.000 1.285 331 A HN 0.529 nan 8.150 nan 0.000 0.405 332 S N -0.672 114.815 115.700 -0.354 0.000 2.599 332 S HA 0.564 5.034 4.470 0.001 0.000 0.294 332 S C 1.320 175.577 174.600 -0.572 0.000 1.094 332 S CA 0.282 58.140 58.200 -0.570 0.000 0.931 332 S CB 1.589 64.691 63.200 -0.163 0.000 1.093 332 S HN 1.811 nan 8.310 nan 0.000 0.488 333 S N 2.742 118.205 115.700 -0.394 0.000 2.442 333 S HA -0.059 4.412 4.470 0.001 0.000 0.236 333 S C 1.604 176.213 174.600 0.014 0.000 1.007 333 S CA 0.646 58.906 58.200 0.099 0.000 0.965 333 S CB -0.341 63.005 63.200 0.243 0.000 0.773 333 S HN 0.568 nan 8.310 nan 0.000 0.504 334 L N 2.217 123.414 121.223 -0.043 0.000 2.362 334 L HA 0.094 4.434 4.340 0.001 0.000 0.219 334 L C 1.399 178.239 176.870 -0.050 0.000 1.134 334 L CA 1.338 56.144 54.840 -0.056 0.000 0.807 334 L CB -0.995 41.026 42.059 -0.063 0.000 0.927 334 L HN 0.310 nan 8.230 nan 0.000 0.447 335 D N -1.626 118.774 120.400 -0.000 0.000 2.346 335 D HA -0.037 4.603 4.640 0.001 0.000 0.206 335 D C 2.167 178.496 176.300 0.048 0.000 1.001 335 D CA 0.120 54.149 54.000 0.048 0.000 0.871 335 D CB 0.463 41.352 40.800 0.149 0.000 0.943 335 D HN 0.126 nan 8.370 nan 0.000 0.518 336 L N 1.399 122.650 121.223 0.048 0.000 2.043 336 L HA -0.171 4.170 4.340 0.001 0.000 0.212 336 L C 2.246 179.080 176.870 -0.061 0.000 1.075 336 L CA 1.137 55.988 54.840 0.018 0.000 0.752 336 L CB -1.160 40.911 42.059 0.019 0.000 0.891 336 L HN 0.143 nan 8.230 nan 0.000 0.432 337 L N 1.174 122.337 121.223 -0.099 0.000 1.955 337 L HA -0.102 4.239 4.340 0.001 0.000 0.213 337 L C -0.478 176.323 176.870 -0.115 0.000 1.072 337 L CA 2.369 57.123 54.840 -0.145 0.000 0.755 337 L CB -2.880 39.088 42.059 -0.152 0.000 0.888 337 L HN 0.182 nan 8.230 nan 0.000 0.432 338 P HA -0.135 nan 4.420 nan 0.000 0.216 338 P C 1.668 178.961 177.300 -0.011 0.000 1.153 338 P CA 2.335 65.408 63.100 -0.046 0.000 0.858 338 P CB -0.454 31.222 31.700 -0.041 0.000 0.789 339 T N -0.117 114.447 114.554 0.017 0.000 2.821 339 T HA -0.041 4.309 4.350 0.001 0.000 0.267 339 T C 1.867 176.563 174.700 -0.005 0.000 1.046 339 T CA 1.005 63.133 62.100 0.047 0.000 1.139 339 T CB -0.726 68.198 68.868 0.093 0.000 0.871 339 T HN 0.080 nan 8.240 nan 0.000 0.454 340 L N 0.606 121.783 121.223 -0.076 0.000 2.095 340 L HA 0.057 4.398 4.340 0.001 0.000 0.204 340 L C 3.114 179.882 176.870 -0.171 0.000 1.080 340 L CA 0.887 55.631 54.840 -0.160 0.000 0.759 340 L CB -0.837 41.061 42.059 -0.269 0.000 0.914 340 L HN 0.228 nan 8.230 nan 0.000 0.439 341 A N 0.770 123.495 122.820 -0.158 0.000 1.842 341 A HA -0.308 4.013 4.320 0.001 0.000 0.217 341 A C 2.576 180.128 177.584 -0.054 0.000 1.206 341 A CA 2.402 54.366 52.037 -0.122 0.000 0.630 341 A CB -1.132 17.809 19.000 -0.100 0.000 0.839 341 A HN 0.392 nan 8.150 nan 0.000 0.447 342 A N -1.003 121.806 122.820 -0.019 0.000 1.894 342 A HA -0.237 4.083 4.320 0.001 0.000 0.220 342 A C 2.011 179.620 177.584 0.041 0.000 1.237 342 A CA 2.288 54.338 52.037 0.022 0.000 0.660 342 A CB -0.890 18.139 19.000 0.048 0.000 0.835 342 A HN 0.571 nan 8.150 nan 0.000 0.461 343 L N -1.435 119.815 121.223 0.045 0.000 2.362 343 L HA 0.032 4.373 4.340 0.001 0.000 0.219 343 L C 2.339 179.257 176.870 0.081 0.000 1.134 343 L CA 1.588 56.480 54.840 0.088 0.000 0.807 343 L CB -0.779 41.315 42.059 0.058 0.000 0.927 343 L HN 0.468 nan 8.230 nan 0.000 0.447 344 A N -1.967 120.879 122.820 0.043 0.000 2.470 344 A HA 0.503 4.823 4.320 0.001 0.000 0.251 344 A C 1.512 179.150 177.584 0.090 0.000 1.245 344 A CA 0.379 52.476 52.037 0.101 0.000 0.932 344 A CB -0.348 18.689 19.000 0.063 0.000 1.037 344 A HN 0.387 nan 8.150 nan 0.000 0.522 345 G N -0.518 108.316 108.800 0.057 0.000 2.341 345 G HA2 0.068 4.029 3.960 0.001 0.000 0.292 345 G HA3 0.068 4.029 3.960 0.001 0.000 0.292 345 G C 0.394 175.311 174.900 0.029 0.000 1.021 345 G CA 0.693 45.819 45.100 0.043 0.000 0.905 345 G HN 1.579 nan 8.290 nan 0.000 0.508 346 A N -0.099 122.724 122.820 0.004 0.000 2.281 346 A HA 0.995 5.316 4.320 0.001 0.000 0.329 346 A C -1.739 175.830 177.584 -0.025 0.000 1.122 346 A CA -1.246 50.783 52.037 -0.013 0.000 0.850 346 A CB 1.718 20.688 19.000 -0.050 0.000 1.207 346 A HN 0.277 nan 8.150 nan 0.000 0.495 347 P HA 0.560 nan 4.420 nan 0.000 0.285 347 P C -1.031 176.243 177.300 -0.043 0.000 1.280 347 P CA -0.599 62.485 63.100 -0.026 0.000 0.862 347 P CB 0.899 32.590 31.700 -0.016 0.000 1.153 348 L N 1.982 123.180 121.223 -0.041 0.000 2.371 348 L HA 0.347 4.687 4.340 0.001 0.000 0.272 348 L C -1.716 175.124 176.870 -0.050 0.000 1.124 348 L CA -1.856 52.953 54.840 -0.052 0.000 0.816 348 L CB -0.274 41.755 42.059 -0.049 0.000 1.129 348 L HN 0.274 nan 8.230 nan 0.000 0.448 349 P HA -0.068 nan 4.420 nan 0.000 0.269 349 P C -0.516 176.757 177.300 -0.046 0.000 1.205 349 P CA 0.012 63.080 63.100 -0.053 0.000 0.780 349 P CB 0.385 32.047 31.700 -0.063 0.000 0.858 350 N N 0.364 119.041 118.700 -0.038 0.000 3.052 350 N HA 0.223 4.964 4.740 0.001 0.000 0.302 350 N C -0.924 174.564 175.510 -0.036 0.000 1.332 350 N CA -0.195 52.836 53.050 -0.033 0.000 1.129 350 N CB -0.465 38.007 38.487 -0.024 0.000 1.436 350 N HN 0.110 nan 8.380 nan 0.000 0.536 351 V N -2.738 117.148 119.914 -0.046 0.000 3.102 351 V HA 0.563 4.683 4.120 0.001 0.000 0.312 351 V C 0.569 176.625 176.094 -0.062 0.000 1.135 351 V CA -1.273 60.997 62.300 -0.051 0.000 1.022 351 V CB 1.122 32.912 31.823 -0.056 0.000 1.056 351 V HN 0.152 nan 8.190 nan 0.000 0.436 352 T N 2.454 116.970 114.554 -0.064 0.000 2.853 352 T HA 0.449 4.799 4.350 0.001 0.000 0.298 352 T C -0.478 174.162 174.700 -0.100 0.000 0.978 352 T CA 0.116 62.169 62.100 -0.078 0.000 1.152 352 T CB -0.522 68.303 68.868 -0.071 0.000 0.914 352 T HN 0.574 nan 8.240 nan 0.000 0.539 353 L N 4.156 125.305 121.223 -0.123 0.000 2.334 353 L HA 0.480 4.821 4.340 0.001 0.000 0.273 353 L C 0.468 177.213 176.870 -0.208 0.000 1.013 353 L CA -0.900 53.847 54.840 -0.155 0.000 0.816 353 L CB 1.815 43.779 42.059 -0.158 0.000 1.278 353 L HN 0.706 nan 8.230 nan 0.000 0.431 354 D N 1.762 122.032 120.400 -0.216 0.000 2.440 354 D HA 0.202 4.842 4.640 0.001 0.000 0.216 354 D C 0.494 176.579 176.300 -0.359 0.000 1.150 354 D CA 0.186 54.039 54.000 -0.246 0.000 0.832 354 D CB 1.518 42.227 40.800 -0.151 0.000 0.992 354 D HN 0.676 nan 8.370 nan 0.000 0.502 355 G N -0.224 108.318 108.800 -0.430 0.000 3.013 355 G HA2 0.631 4.592 3.960 0.001 0.000 0.278 355 G HA3 0.631 4.592 3.960 0.001 0.000 0.278 355 G C -1.149 173.302 174.900 -0.748 0.000 1.353 355 G CA -0.477 44.348 45.100 -0.457 0.000 1.043 355 G HN -0.066 nan 8.290 nan 0.000 0.523 356 F N -1.295 118.665 119.950 0.016 0.000 2.629 356 F HA 0.404 4.931 4.527 0.001 0.000 0.316 356 F C -0.483 175.340 175.800 0.039 0.000 1.081 356 F CA -0.879 57.137 58.000 0.028 0.000 0.954 356 F CB 2.163 41.189 39.000 0.043 0.000 1.337 356 F HN 0.400 nan 8.300 nan 0.000 0.474 357 D N 1.177 121.726 120.400 0.249 0.000 2.351 357 D HA 0.258 4.898 4.640 0.001 0.000 0.251 357 D C 0.032 176.445 176.300 0.189 0.000 1.137 357 D CA 0.288 54.388 54.000 0.168 0.000 0.879 357 D CB 0.831 41.705 40.800 0.123 0.000 1.181 357 D HN 0.519 nan 8.370 nan 0.000 0.448 358 L N 2.890 124.226 121.223 0.188 0.000 2.857 358 L HA 0.040 4.380 4.340 0.001 0.000 0.249 358 L C 1.925 178.909 176.870 0.191 0.000 1.172 358 L CA -0.054 54.909 54.840 0.205 0.000 0.980 358 L CB -0.035 42.188 42.059 0.274 0.000 1.299 358 L HN 0.404 nan 8.230 nan 0.000 0.535 359 S N 0.244 116.044 115.700 0.167 0.000 2.387 359 S HA -0.098 4.373 4.470 0.001 0.000 0.230 359 S C -0.689 173.995 174.600 0.139 0.000 1.035 359 S CA 0.799 59.100 58.200 0.169 0.000 1.014 359 S CB -1.533 61.763 63.200 0.160 0.000 0.836 359 S HN 0.257 nan 8.310 nan 0.000 0.466 360 P HA -0.061 nan 4.420 nan 0.000 0.215 360 P C 1.794 179.141 177.300 0.077 0.000 1.153 360 P CA 0.717 63.865 63.100 0.079 0.000 0.853 360 P CB -0.158 31.580 31.700 0.064 0.000 0.788 361 L N -1.547 119.737 121.223 0.101 0.000 2.056 361 L HA -0.100 4.241 4.340 0.001 0.000 0.207 361 L C 2.031 178.962 176.870 0.101 0.000 1.078 361 L CA 1.828 56.723 54.840 0.092 0.000 0.749 361 L CB -1.323 40.805 42.059 0.116 0.000 0.901 361 L HN -0.189 nan 8.230 nan 0.000 0.433 362 L N -0.572 120.749 121.223 0.163 0.000 2.093 362 L HA -0.122 4.219 4.340 0.001 0.000 0.208 362 L C 2.256 179.207 176.870 0.136 0.000 1.085 362 L CA 1.700 56.653 54.840 0.188 0.000 0.755 362 L CB -0.901 41.325 42.059 0.278 0.000 0.904 362 L HN 0.273 nan 8.230 nan 0.000 0.435 363 L N -1.447 119.843 121.223 0.111 0.000 2.509 363 L HA 0.246 4.586 4.340 0.001 0.000 0.222 363 L C 1.485 178.361 176.870 0.010 0.000 1.123 363 L CA 0.652 55.523 54.840 0.051 0.000 0.856 363 L CB -0.425 41.660 42.059 0.043 0.000 0.985 363 L HN 0.439 nan 8.230 nan 0.000 0.456 364 G N -0.011 108.799 108.800 0.017 0.000 2.144 364 G HA2 -0.297 3.663 3.960 0.001 0.000 0.218 364 G HA3 -0.297 3.663 3.960 0.001 0.000 0.218 364 G C 0.851 175.748 174.900 -0.004 0.000 0.988 364 G CA 0.532 45.630 45.100 -0.004 0.000 0.659 364 G HN 0.340 nan 8.290 nan 0.000 0.522 365 T N -2.186 112.372 114.554 0.007 0.000 3.069 365 T HA 0.595 4.945 4.350 0.001 0.000 0.252 365 T C 1.141 175.849 174.700 0.014 0.000 1.053 365 T CA 1.159 63.263 62.100 0.006 0.000 0.964 365 T CB 0.855 69.730 68.868 0.010 0.000 1.005 365 T HN 1.773 nan 8.240 nan 0.000 0.532 366 G N -0.071 108.741 108.800 0.020 0.000 2.619 366 G HA2 0.565 4.525 3.960 0.001 0.000 0.305 366 G HA3 0.565 4.525 3.960 0.001 0.000 0.305 366 G C -1.903 173.011 174.900 0.024 0.000 1.330 366 G CA -0.964 44.149 45.100 0.022 0.000 0.789 366 G HN 0.239 nan 8.290 nan 0.000 0.487 367 K N -0.181 120.233 120.400 0.023 0.000 2.238 367 K HA 0.620 4.940 4.320 0.001 0.000 0.239 367 K C 0.012 176.630 176.600 0.029 0.000 0.987 367 K CA -0.500 55.800 56.287 0.023 0.000 0.857 367 K CB 1.887 34.393 32.500 0.011 0.000 1.154 367 K HN 0.495 nan 8.250 nan 0.000 0.439 368 S N 1.623 117.347 115.700 0.040 0.000 2.533 368 S HA 0.110 4.581 4.470 0.001 0.000 0.282 368 S C -1.557 173.013 174.600 -0.051 0.000 1.304 368 S CA -1.196 57.026 58.200 0.036 0.000 1.063 368 S CB 0.459 63.707 63.200 0.079 0.000 0.881 368 S HN 0.344 nan 8.310 nan 0.000 0.493 369 P HA -0.042 nan 4.420 nan 0.000 0.223 369 P C 0.252 177.233 177.300 -0.532 0.000 1.151 369 P CA 0.515 63.446 63.100 -0.282 0.000 0.787 369 P CB -0.007 31.497 31.700 -0.328 0.000 0.788 370 R N 0.717 120.936 120.500 -0.468 0.000 2.370 370 R HA 0.060 4.400 4.340 0.001 0.000 0.309 370 R C 0.883 177.060 176.300 -0.206 0.000 1.059 370 R CA 0.292 56.116 56.100 -0.460 0.000 0.981 370 R CB 0.284 30.523 30.300 -0.101 0.000 0.972 370 R HN -0.032 nan 8.270 nan 0.000 0.437 371 Q N 0.777 120.467 119.800 -0.182 0.000 2.396 371 Q HA 0.203 4.544 4.340 0.001 0.000 0.220 371 Q C -0.475 175.477 176.000 -0.080 0.000 0.900 371 Q CA 0.528 56.278 55.803 -0.088 0.000 0.925 371 Q CB 1.067 29.767 28.738 -0.064 0.000 1.065 371 Q HN 0.491 nan 8.270 nan 0.000 0.535 372 S N -0.346 115.290 115.700 -0.105 0.000 2.548 372 S HA 0.672 5.143 4.470 0.001 0.000 0.286 372 S C -1.277 173.100 174.600 -0.373 0.000 1.098 372 S CA -0.680 57.366 58.200 -0.256 0.000 0.930 372 S CB 1.532 64.584 63.200 -0.247 0.000 1.070 372 S HN 0.096 nan 8.310 nan 0.000 0.480 373 L N 2.279 123.108 121.223 -0.658 0.000 2.408 373 L HA 0.642 4.983 4.340 0.001 0.000 0.268 373 L C -1.576 174.599 176.870 -1.157 0.000 0.986 373 L CA -0.449 53.936 54.840 -0.759 0.000 0.820 373 L CB 1.355 42.926 42.059 -0.813 0.000 1.303 373 L HN 0.557 nan 8.230 nan 0.000 0.411 374 F N 2.293 121.837 119.950 -0.677 0.000 2.458 374 F HA 0.599 5.126 4.527 0.000 0.000 0.336 374 F C -0.527 174.841 175.800 -0.720 0.000 1.114 374 F CA -0.454 57.214 58.000 -0.554 0.000 0.987 374 F CB 1.339 40.190 39.000 -0.248 0.000 1.130 374 F HN 0.088 nan 8.300 nan 0.000 0.458 375 F N 2.681 122.658 119.950 0.046 0.000 2.477 375 F HA 0.489 5.016 4.527 0.001 0.000 0.335 375 F C -0.741 175.021 175.800 -0.062 0.000 1.130 375 F CA -1.280 56.740 58.000 0.033 0.000 0.948 375 F CB 0.966 39.983 39.000 0.027 0.000 1.154 375 F HN 0.313 nan 8.300 nan 0.000 0.439 376 Y N 3.683 124.077 120.300 0.156 0.000 2.457 376 Y HA 0.504 5.054 4.550 0.001 0.000 0.333 376 Y C -1.992 173.836 175.900 -0.120 0.000 1.119 376 Y CA -2.182 55.904 58.100 -0.022 0.000 1.143 376 Y CB 1.317 39.710 38.460 -0.111 0.000 1.230 376 Y HN 0.351 nan 8.280 nan 0.000 0.469 377 P HA 0.119 nan 4.420 nan 0.000 0.277 377 P C -0.028 177.196 177.300 -0.126 0.000 1.271 377 P CA -0.175 62.735 63.100 -0.316 0.000 0.795 377 P CB 1.119 32.286 31.700 -0.890 0.000 1.101 378 S N -1.271 114.416 115.700 -0.023 0.000 2.382 378 S HA -0.116 4.355 4.470 0.001 0.000 0.228 378 S C 0.440 174.883 174.600 -0.261 0.000 1.027 378 S CA 1.475 59.647 58.200 -0.046 0.000 0.991 378 S CB -0.773 62.518 63.200 0.151 0.000 0.823 378 S HN 0.478 nan 8.310 nan 0.000 0.469 379 Y N 2.522 122.790 120.300 -0.054 0.000 2.960 379 Y HA 0.369 4.920 4.550 0.002 0.000 0.343 379 Y C -2.190 173.665 175.900 -0.076 0.000 1.106 379 Y CA -2.932 55.157 58.100 -0.019 0.000 1.221 379 Y CB 0.234 38.704 38.460 0.017 0.000 1.232 379 Y HN 0.165 nan 8.280 nan 0.000 0.577 380 P HA 0.245 nan 4.420 nan 0.000 0.275 380 P C -0.828 176.554 177.300 0.138 0.000 1.266 380 P CA -0.150 62.941 63.100 -0.014 0.000 0.793 380 P CB 1.829 33.429 31.700 -0.167 0.000 1.074 381 D N -3.414 117.116 120.400 0.218 0.000 2.653 381 D HA 0.128 4.769 4.640 0.001 0.000 0.258 381 D C 0.026 176.143 176.300 -0.304 0.000 1.252 381 D CA -0.663 53.353 54.000 0.026 0.000 0.777 381 D CB 0.339 41.142 40.800 0.004 0.000 1.339 381 D HN 0.219 nan 8.370 nan 0.000 0.422 382 E N -0.201 119.662 120.200 -0.561 0.000 2.371 382 E HA 0.031 4.382 4.350 0.001 0.000 0.194 382 E C 1.447 177.872 176.600 -0.293 0.000 1.012 382 E CA 0.270 56.267 56.400 -0.671 0.000 0.860 382 E CB 0.386 29.666 29.700 -0.700 0.000 0.811 382 E HN 0.328 nan 8.360 nan 0.000 0.502 383 V N 0.763 120.573 119.914 -0.174 0.000 2.446 383 V HA -0.143 3.977 4.120 0.001 0.000 0.244 383 V C 2.141 178.208 176.094 -0.044 0.000 1.039 383 V CA 1.408 63.656 62.300 -0.088 0.000 1.045 383 V CB -0.207 31.583 31.823 -0.056 0.000 0.681 383 V HN 0.154 nan 8.190 nan 0.000 0.459 384 R N -0.268 120.193 120.500 -0.066 0.000 2.093 384 R HA 0.221 4.562 4.340 0.001 0.000 0.224 384 R C 1.402 177.754 176.300 0.088 0.000 1.101 384 R CA 0.774 56.827 56.100 -0.079 0.000 0.979 384 R CB -0.329 29.736 30.300 -0.392 0.000 0.877 384 R HN 0.584 nan 8.270 nan 0.000 0.441 385 G N 0.580 109.431 108.800 0.085 0.000 2.645 385 G HA2 -0.309 3.652 3.960 0.001 0.000 0.246 385 G HA3 -0.309 3.652 3.960 0.001 0.000 0.246 385 G C -0.008 175.013 174.900 0.202 0.000 1.322 385 G CA -0.195 45.005 45.100 0.166 0.000 0.898 385 G HN 0.302 nan 8.290 nan 0.000 0.573 386 V N -2.021 117.891 119.914 -0.003 0.000 2.763 386 V HA 0.499 4.619 4.120 0.001 0.000 0.306 386 V C 1.458 177.759 176.094 0.345 0.000 1.059 386 V CA 0.564 62.739 62.300 -0.209 0.000 1.138 386 V CB 0.745 32.419 31.823 -0.247 0.000 0.940 386 V HN 0.756 nan 8.190 nan 0.000 0.489 387 F N 2.342 122.347 119.950 0.092 0.000 2.270 387 F HA 0.542 5.069 4.527 0.001 0.000 0.295 387 F C 1.331 177.356 175.800 0.376 0.000 1.087 387 F CA 0.645 58.842 58.000 0.328 0.000 1.365 387 F CB -0.170 38.976 39.000 0.243 0.000 1.056 387 F HN 0.873 nan 8.300 nan 0.000 0.506 388 A N -0.708 122.390 122.820 0.465 0.000 2.539 388 A HA 0.725 5.046 4.320 0.001 0.000 0.296 388 A C -1.603 176.177 177.584 0.326 0.000 1.073 388 A CA -0.523 51.683 52.037 0.282 0.000 0.700 388 A CB 1.586 20.571 19.000 -0.026 0.000 1.296 388 A HN -0.178 nan 8.150 nan 0.000 0.405 389 V N 1.085 121.117 119.914 0.196 0.000 2.760 389 V HA 0.647 4.768 4.120 0.001 0.000 0.309 389 V C -0.209 175.859 176.094 -0.043 0.000 1.077 389 V CA -0.600 61.717 62.300 0.027 0.000 0.910 389 V CB 1.927 33.804 31.823 0.090 0.000 1.008 389 V HN 1.005 nan 8.190 nan 0.000 0.424 390 R N 2.143 122.545 120.500 -0.164 0.000 2.494 390 R HA 0.776 5.117 4.340 0.001 0.000 0.305 390 R C -1.182 175.029 176.300 -0.148 0.000 0.959 390 R CA -0.165 55.884 56.100 -0.086 0.000 0.864 390 R CB 1.892 32.162 30.300 -0.051 0.000 1.159 390 R HN 0.751 nan 8.270 nan 0.000 0.446 391 T N 3.141 117.673 114.554 -0.037 0.000 2.881 391 T HA 0.469 4.820 4.350 0.001 0.000 0.291 391 T C 0.246 174.978 174.700 0.054 0.000 0.990 391 T CA 0.183 62.273 62.100 -0.017 0.000 0.976 391 T CB 1.594 70.463 68.868 0.001 0.000 0.970 391 T HN 0.946 nan 8.240 nan 0.000 0.438 392 G N 4.052 112.864 108.800 0.020 0.000 2.629 392 G HA2 -0.370 3.591 3.960 0.001 0.000 0.313 392 G HA3 -0.370 3.591 3.960 0.001 0.000 0.313 392 G C 0.897 175.789 174.900 -0.013 0.000 1.217 392 G CA 1.078 46.190 45.100 0.020 0.000 0.994 392 G HN 0.946 nan 8.290 nan 0.000 0.549 393 K N -0.179 120.162 120.400 -0.100 0.000 2.404 393 K HA 0.383 4.703 4.320 0.001 0.000 0.194 393 K C 0.093 176.511 176.600 -0.304 0.000 1.023 393 K CA 0.094 56.243 56.287 -0.230 0.000 1.094 393 K CB 0.220 32.516 32.500 -0.340 0.000 0.841 393 K HN 0.467 nan 8.250 nan 0.000 0.523 394 Y N 1.792 122.104 120.300 0.019 0.000 2.387 394 Y HA 0.361 4.911 4.550 0.001 0.000 0.336 394 Y C -0.411 175.492 175.900 0.005 0.000 1.067 394 Y CA -0.950 57.160 58.100 0.016 0.000 1.114 394 Y CB 1.789 40.244 38.460 -0.008 0.000 1.208 394 Y HN -0.135 nan 8.280 nan 0.000 0.458 395 K N 2.092 122.604 120.400 0.187 0.000 2.463 395 K HA 0.826 5.147 4.320 0.001 0.000 0.255 395 K C -1.437 175.173 176.600 0.017 0.000 0.942 395 K CA -0.678 55.656 56.287 0.079 0.000 0.814 395 K CB 1.078 33.623 32.500 0.075 0.000 1.122 395 K HN 0.789 nan 8.250 nan 0.000 0.425 396 A N 4.354 127.099 122.820 -0.126 0.000 2.290 396 A HA 0.367 4.688 4.320 0.001 0.000 0.310 396 A C -1.008 176.305 177.584 -0.452 0.000 1.202 396 A CA -0.577 51.261 52.037 -0.333 0.000 0.837 396 A CB 0.380 19.069 19.000 -0.518 0.000 1.139 396 A HN 0.801 nan 8.150 nan 0.000 0.509 397 H N 2.897 121.747 119.070 -0.367 0.000 2.556 397 H HA 0.275 4.832 4.556 0.001 0.000 0.310 397 H C -0.340 174.764 175.328 -0.373 0.000 1.057 397 H CA 0.025 55.931 56.048 -0.236 0.000 1.264 397 H CB 1.041 30.729 29.762 -0.124 0.000 1.404 397 H HN 0.742 nan 8.280 nan 0.000 0.462 398 F N 1.689 121.645 119.950 0.009 0.000 2.512 398 F HA 0.094 4.621 4.527 0.001 0.000 0.296 398 F C 0.238 175.644 175.800 -0.657 0.000 1.110 398 F CA 0.475 58.329 58.000 -0.245 0.000 1.446 398 F CB 0.302 39.173 39.000 -0.215 0.000 1.092 398 F HN 0.282 nan 8.300 nan 0.000 0.554 399 F N -1.677 118.214 119.950 -0.098 0.000 2.613 399 F HA 0.571 5.098 4.527 -0.000 0.000 0.314 399 F C 0.033 175.693 175.800 -0.234 0.000 1.075 399 F CA -1.012 56.715 58.000 -0.456 0.000 0.945 399 F CB 1.910 40.002 39.000 -1.513 0.000 1.310 399 F HN -0.550 nan 8.300 nan 0.000 0.467 400 T N 1.277 115.888 114.554 0.095 0.000 2.900 400 T HA 0.595 4.945 4.350 0.001 0.000 0.303 400 T C -1.908 172.921 174.700 0.216 0.000 1.142 400 T CA -0.650 61.546 62.100 0.161 0.000 1.007 400 T CB 2.105 71.158 68.868 0.308 0.000 1.156 400 T HN 0.666 nan 8.240 nan 0.000 0.490 401 Q N 0.988 120.931 119.800 0.237 0.000 2.518 401 Q HA 0.513 4.853 4.340 0.001 0.000 0.254 401 Q C -0.785 175.377 176.000 0.269 0.000 0.962 401 Q CA -0.688 55.270 55.803 0.259 0.000 0.982 401 Q CB 1.038 29.982 28.738 0.343 0.000 1.516 401 Q HN 0.890 nan 8.270 nan 0.000 0.426 402 G N 0.923 109.860 108.800 0.229 0.000 2.525 402 G HA2 0.633 4.594 3.960 0.001 0.000 0.287 402 G HA3 0.633 4.594 3.960 0.001 0.000 0.287 402 G C -0.829 174.185 174.900 0.190 0.000 1.350 402 G CA 0.138 45.368 45.100 0.217 0.000 1.039 402 G HN 0.511 nan 8.290 nan 0.000 0.513 403 S N -2.752 113.049 115.700 0.169 0.000 2.542 403 S HA 0.493 4.963 4.470 0.001 0.000 0.276 403 S C 0.856 175.506 174.600 0.084 0.000 1.148 403 S CA 0.534 58.824 58.200 0.149 0.000 0.886 403 S CB 1.166 64.502 63.200 0.227 0.000 1.109 403 S HN 1.442 nan 8.310 nan 0.000 0.458 404 A N 2.861 125.669 122.820 -0.019 0.000 1.933 404 A HA -0.068 4.252 4.320 0.001 0.000 0.218 404 A C 1.660 179.141 177.584 -0.172 0.000 1.175 404 A CA 1.635 53.595 52.037 -0.129 0.000 0.628 404 A CB -1.078 17.785 19.000 -0.228 0.000 0.814 404 A HN 0.941 nan 8.150 nan 0.000 0.444 405 H N 0.001 119.094 119.070 0.038 0.000 2.456 405 H HA -0.009 4.547 4.556 0.001 0.000 0.296 405 H C 1.282 176.623 175.328 0.021 0.000 1.079 405 H CA 1.443 57.503 56.048 0.020 0.000 1.322 405 H CB -0.050 29.734 29.762 0.037 0.000 1.388 405 H HN 0.471 nan 8.280 nan 0.000 0.538 406 S N 0.788 116.575 115.700 0.145 0.000 2.614 406 S HA 0.038 4.508 4.470 0.001 0.000 0.230 406 S C 0.391 175.047 174.600 0.092 0.000 0.952 406 S CA -0.379 57.886 58.200 0.108 0.000 0.949 406 S CB 0.412 63.684 63.200 0.122 0.000 0.786 406 S HN 0.264 nan 8.310 nan 0.000 0.478 407 D N 2.186 122.612 120.400 0.042 0.000 2.312 407 D HA 0.110 4.751 4.640 0.001 0.000 0.244 407 D C 1.417 177.685 176.300 -0.054 0.000 1.328 407 D CA 1.660 55.650 54.000 -0.017 0.000 0.965 407 D CB 0.278 41.010 40.800 -0.114 0.000 1.140 407 D HN 0.349 nan 8.370 nan 0.000 0.523 408 T N -4.862 109.578 114.554 -0.189 0.000 6.412 408 T HA -0.208 4.142 4.350 0.001 0.000 0.279 408 T C 0.500 175.181 174.700 -0.032 0.000 2.177 408 T CA 1.743 63.762 62.100 -0.135 0.000 3.599 408 T CB -2.577 66.240 68.868 -0.085 0.000 1.259 408 T HN 0.593 nan 8.240 nan 0.000 1.146 409 T N -1.330 113.265 114.554 0.067 0.000 2.849 409 T HA 0.843 5.194 4.350 0.001 0.000 0.276 409 T C 1.625 176.429 174.700 0.174 0.000 0.971 409 T CA -0.158 61.991 62.100 0.081 0.000 0.949 409 T CB 1.430 70.325 68.868 0.045 0.000 1.093 409 T HN 1.028 nan 8.240 nan 0.000 0.545 410 A N -0.387 122.476 122.820 0.072 0.000 2.167 410 A HA 0.161 4.481 4.320 0.001 0.000 0.214 410 A C 0.975 178.552 177.584 -0.012 0.000 1.151 410 A CA 0.317 52.385 52.037 0.052 0.000 0.735 410 A CB -0.615 18.388 19.000 0.004 0.000 0.802 410 A HN 0.831 nan 8.150 nan 0.000 0.467 411 D N -0.033 120.320 120.400 -0.079 0.000 2.316 411 D HA 0.254 4.895 4.640 0.001 0.000 0.245 411 D C -1.777 174.258 176.300 -0.441 0.000 1.171 411 D CA -2.220 51.653 54.000 -0.213 0.000 0.856 411 D CB 1.429 42.097 40.800 -0.220 0.000 1.090 411 D HN 0.046 nan 8.370 nan 0.000 0.476 412 P HA -0.005 nan 4.420 nan 0.000 0.222 412 P C 0.940 177.931 177.300 -0.514 0.000 1.153 412 P CA 0.526 63.184 63.100 -0.736 0.000 0.798 412 P CB 0.173 31.684 31.700 -0.315 0.000 0.796 413 A N -0.504 122.113 122.820 -0.339 0.000 2.067 413 A HA -0.146 4.174 4.320 0.001 0.000 0.219 413 A C 2.199 179.690 177.584 -0.156 0.000 1.158 413 A CA 1.349 53.262 52.037 -0.207 0.000 0.661 413 A CB -1.748 17.078 19.000 -0.290 0.000 0.801 413 A HN 0.251 nan 8.150 nan 0.000 0.452 414 c N -0.639 117.816 118.600 -0.242 0.000 2.448 414 c HA 0.062 4.632 4.570 0.001 0.000 0.280 414 c C 1.199 175.355 174.090 0.111 0.000 1.398 414 c CA -0.529 55.777 56.329 -0.039 0.000 1.774 414 c CB -1.820 40.673 42.510 -0.030 0.000 1.888 414 c HN 0.619 nan 8.230 nan 0.000 0.519 415 H N 0.014 119.092 119.070 0.014 0.000 2.771 415 H HA 0.294 4.850 4.556 -0.000 0.000 0.364 415 H C 1.399 176.747 175.328 0.034 0.000 1.133 415 H CA -0.053 56.003 56.048 0.014 0.000 1.423 415 H CB 0.688 30.448 29.762 -0.003 0.000 1.425 415 H HN 0.230 nan 8.280 nan 0.000 0.606 416 A N 1.754 124.672 122.820 0.163 0.000 2.024 416 A HA -0.210 4.110 4.320 0.001 0.000 0.220 416 A C 2.262 179.896 177.584 0.083 0.000 1.164 416 A CA 1.661 53.751 52.037 0.088 0.000 0.643 416 A CB -0.778 18.237 19.000 0.025 0.000 0.806 416 A HN 0.767 nan 8.150 nan 0.000 0.451 417 S N -0.308 115.454 115.700 0.104 0.000 2.555 417 S HA 0.037 4.507 4.470 0.001 0.000 0.230 417 S C 0.663 175.310 174.600 0.078 0.000 0.978 417 S CA 0.571 58.819 58.200 0.081 0.000 0.934 417 S CB -0.433 62.817 63.200 0.083 0.000 0.766 417 S HN 0.301 nan 8.310 nan 0.000 0.533 418 S N 3.462 119.214 115.700 0.088 0.000 2.485 418 S HA 0.403 4.873 4.470 0.001 0.000 0.312 418 S C 0.484 175.142 174.600 0.096 0.000 1.102 418 S CA -0.711 57.535 58.200 0.078 0.000 1.066 418 S CB 0.382 63.626 63.200 0.073 0.000 1.102 418 S HN 0.632 nan 8.310 nan 0.000 0.519 419 S N 2.612 118.358 115.700 0.078 0.000 2.617 419 S HA 0.375 4.845 4.470 0.001 0.000 0.259 419 S C 0.219 174.880 174.600 0.102 0.000 1.301 419 S CA -0.973 57.276 58.200 0.081 0.000 0.984 419 S CB 0.123 63.355 63.200 0.053 0.000 0.954 419 S HN 0.486 nan 8.310 nan 0.000 0.572 420 L N 2.104 123.394 121.223 0.112 0.000 2.745 420 L HA 0.169 4.510 4.340 0.001 0.000 0.273 420 L C -0.226 176.697 176.870 0.089 0.000 1.156 420 L CA 1.187 56.108 54.840 0.135 0.000 0.982 420 L CB -1.106 41.036 42.059 0.139 0.000 1.295 420 L HN 0.787 nan 8.230 nan 0.000 0.483 421 T N 5.352 119.940 114.554 0.056 0.000 2.792 421 T HA 0.734 5.085 4.350 0.001 0.000 0.280 421 T C 0.027 174.574 174.700 -0.256 0.000 0.990 421 T CA -0.225 61.826 62.100 -0.081 0.000 0.960 421 T CB 1.410 70.209 68.868 -0.115 0.000 0.939 421 T HN 0.817 nan 8.240 nan 0.000 0.439 422 A N 2.711 125.360 122.820 -0.285 0.000 2.340 422 A HA 0.563 4.883 4.320 0.001 0.000 0.268 422 A C -0.599 176.482 177.584 -0.839 0.000 1.100 422 A CA -0.380 51.334 52.037 -0.538 0.000 0.803 422 A CB -0.030 18.808 19.000 -0.269 0.000 1.043 422 A HN 0.985 nan 8.150 nan 0.000 0.488 423 H N 0.442 119.310 119.070 -0.337 0.000 2.860 423 H HA 0.508 5.064 4.556 0.000 0.000 0.312 423 H C -1.124 174.090 175.328 -0.190 0.000 0.995 423 H CA -0.159 55.760 56.048 -0.214 0.000 1.311 423 H CB 1.268 30.912 29.762 -0.197 0.000 1.478 423 H HN 0.651 nan 8.280 nan 0.000 0.508 424 E N 4.360 124.524 120.200 -0.059 0.000 2.235 424 E HA 0.276 4.627 4.350 0.001 0.000 0.252 424 E C -2.283 174.304 176.600 -0.022 0.000 0.886 424 E CA -1.964 54.415 56.400 -0.035 0.000 0.767 424 E CB 0.920 30.594 29.700 -0.043 0.000 1.205 424 E HN 0.450 nan 8.360 nan 0.000 0.421 425 P HA 0.341 nan 4.420 nan 0.000 0.274 425 P C -2.606 174.653 177.300 -0.068 0.000 1.237 425 P CA -1.416 61.664 63.100 -0.033 0.000 0.793 425 P CB 0.337 32.008 31.700 -0.048 0.000 0.977 426 P HA 0.105 nan 4.420 nan 0.000 0.270 426 P C 0.019 177.157 177.300 -0.271 0.000 1.223 426 P CA -0.070 62.864 63.100 -0.276 0.000 0.785 426 P CB 0.611 31.889 31.700 -0.704 0.000 0.923 427 L N 1.524 122.561 121.223 -0.310 0.000 2.410 427 L HA 0.144 4.484 4.340 0.001 0.000 0.273 427 L C 0.590 177.196 176.870 -0.441 0.000 1.144 427 L CA -0.203 54.400 54.840 -0.395 0.000 0.863 427 L CB -0.156 41.658 42.059 -0.408 0.000 1.140 427 L HN 0.273 nan 8.230 nan 0.000 0.463 428 L N 5.371 126.243 121.223 -0.586 0.000 2.372 428 L HA 0.476 4.817 4.340 0.001 0.000 0.274 428 L C -1.198 175.357 176.870 -0.526 0.000 0.988 428 L CA -0.012 54.573 54.840 -0.425 0.000 0.833 428 L CB 1.043 42.948 42.059 -0.256 0.000 1.236 428 L HN 0.239 nan 8.230 nan 0.000 0.410 429 Y N 2.086 122.453 120.300 0.111 0.000 2.524 429 Y HA 0.470 5.020 4.550 0.000 0.000 0.344 429 Y C -0.222 175.766 175.900 0.147 0.000 1.012 429 Y CA -0.945 57.227 58.100 0.120 0.000 1.068 429 Y CB 1.593 40.106 38.460 0.088 0.000 1.249 429 Y HN 0.475 nan 8.280 nan 0.000 0.468 430 D N 2.648 123.200 120.400 0.253 0.000 2.467 430 D HA 0.189 4.830 4.640 0.001 0.000 0.220 430 D C 0.427 176.742 176.300 0.025 0.000 1.103 430 D CA 0.016 54.022 54.000 0.010 0.000 0.886 430 D CB 0.800 41.598 40.800 -0.003 0.000 1.025 430 D HN 0.680 nan 8.370 nan 0.000 0.514 431 L N 2.541 123.763 121.223 -0.002 0.000 2.362 431 L HA -0.139 4.202 4.340 0.001 0.000 0.219 431 L C 2.253 179.112 176.870 -0.018 0.000 1.134 431 L CA 0.808 55.659 54.840 0.017 0.000 0.807 431 L CB -0.289 41.797 42.059 0.045 0.000 0.927 431 L HN 0.350 nan 8.230 nan 0.000 0.447 432 S N -0.123 115.541 115.700 -0.061 0.000 2.470 432 S HA -0.081 4.389 4.470 0.001 0.000 0.225 432 S C 1.631 176.205 174.600 -0.044 0.000 1.006 432 S CA 0.332 58.490 58.200 -0.070 0.000 0.934 432 S CB 0.023 63.162 63.200 -0.102 0.000 0.778 432 S HN 0.578 nan 8.310 nan 0.000 0.517 433 K N -0.127 120.264 120.400 -0.016 0.000 2.425 433 K HA 0.302 4.622 4.320 0.001 0.000 0.201 433 K C -0.160 176.476 176.600 0.061 0.000 1.128 433 K CA 0.303 56.599 56.287 0.016 0.000 1.000 433 K CB 0.192 32.704 32.500 0.020 0.000 0.961 433 K HN 0.205 nan 8.250 nan 0.000 0.555 434 D N 1.812 122.256 120.400 0.074 0.000 2.886 434 D HA 0.200 4.841 4.640 0.001 0.000 0.355 434 D C -1.924 174.379 176.300 0.004 0.000 1.274 434 D CA -2.352 51.704 54.000 0.095 0.000 0.836 434 D CB 1.036 41.966 40.800 0.216 0.000 1.109 434 D HN -0.139 nan 8.370 nan 0.000 0.488 435 P HA -0.062 nan 4.420 nan 0.000 0.218 435 P C 1.605 178.832 177.300 -0.123 0.000 1.148 435 P CA 0.841 63.904 63.100 -0.061 0.000 0.822 435 P CB 0.103 31.768 31.700 -0.059 0.000 0.784 436 G N 0.033 108.749 108.800 -0.139 0.000 2.501 436 G HA2 -0.240 3.720 3.960 0.001 0.000 0.220 436 G HA3 -0.240 3.720 3.960 0.001 0.000 0.220 436 G C 0.524 175.220 174.900 -0.340 0.000 1.114 436 G CA 0.376 45.353 45.100 -0.204 0.000 0.757 436 G HN 0.320 nan 8.290 nan 0.000 0.559 437 E N -0.933 119.005 120.200 -0.437 0.000 2.389 437 E HA -0.181 4.169 4.350 0.001 0.000 0.243 437 E C 0.707 176.792 176.600 -0.859 0.000 1.154 437 E CA 0.262 56.072 56.400 -0.983 0.000 0.723 437 E CB -0.918 28.290 29.700 -0.821 0.000 1.261 437 E HN 0.441 nan 8.360 nan 0.000 0.390 438 N N -0.698 117.648 118.700 -0.590 0.000 2.402 438 N HA -0.013 4.727 4.740 0.001 0.000 0.174 438 N C -0.259 174.945 175.510 -0.510 0.000 1.027 438 N CA 0.941 53.575 53.050 -0.694 0.000 0.891 438 N CB 0.388 38.017 38.487 -1.430 0.000 1.016 438 N HN 0.167 nan 8.380 nan 0.000 0.439 439 Y N 1.270 121.739 120.300 0.281 0.000 2.555 439 Y HA 0.265 4.816 4.550 0.000 0.000 0.326 439 Y C 0.184 176.176 175.900 0.154 0.000 0.984 439 Y CA -1.341 56.876 58.100 0.195 0.000 1.298 439 Y CB 0.031 38.556 38.460 0.108 0.000 1.094 439 Y HN -0.069 nan 8.280 nan 0.000 0.500 440 N N 3.842 122.612 118.700 0.117 0.000 2.438 440 N HA 0.042 4.782 4.740 0.001 0.000 0.267 440 N C 0.625 176.072 175.510 -0.106 0.000 1.222 440 N CA -0.066 52.848 53.050 -0.227 0.000 0.930 440 N CB 0.783 39.133 38.487 -0.228 0.000 1.083 440 N HN 0.761 nan 8.380 nan 0.000 0.476 441 L N 2.727 123.871 121.223 -0.131 0.000 2.376 441 L HA -0.076 4.264 4.340 0.001 0.000 0.219 441 L C 1.013 177.831 176.870 -0.086 0.000 1.133 441 L CA 0.317 55.123 54.840 -0.057 0.000 0.816 441 L CB -0.274 41.774 42.059 -0.019 0.000 0.933 441 L HN 0.600 nan 8.230 nan 0.000 0.449 442 L N -0.806 120.342 121.223 -0.124 0.000 2.718 442 L HA 0.490 4.831 4.340 0.001 0.000 0.166 442 L C 1.410 178.232 176.870 -0.080 0.000 1.893 442 L CA 0.616 55.396 54.840 -0.101 0.000 2.845 442 L CB -1.292 40.691 42.059 -0.128 0.000 2.993 442 L HN 0.161 nan 8.230 nan 0.000 0.684 449 T N 1.970 116.505 114.554 -0.032 0.000 2.856 449 T HA 0.187 4.537 4.350 0.001 0.000 0.329 449 T C -1.203 173.475 174.700 -0.037 0.000 1.094 449 T CA 0.487 62.571 62.100 -0.025 0.000 1.112 449 T CB 0.561 69.421 68.868 -0.013 0.000 1.009 449 T HN 0.301 nan 8.240 nan 0.000 0.550 450 P HA -0.020 nan 4.420 nan 0.000 0.221 450 P C 1.445 178.724 177.300 -0.036 0.000 1.150 450 P CA 0.601 63.684 63.100 -0.028 0.000 0.800 450 P CB 0.213 31.904 31.700 -0.014 0.000 0.787 451 E N -0.248 119.939 120.200 -0.022 0.000 2.047 451 E HA -0.113 4.237 4.350 0.001 0.000 0.191 451 E C 1.920 178.440 176.600 -0.133 0.000 0.987 451 E CA 1.135 57.525 56.400 -0.017 0.000 0.799 451 E CB -0.386 29.352 29.700 0.063 0.000 0.752 451 E HN -0.026 nan 8.360 nan 0.000 0.449 452 V N 1.568 121.391 119.914 -0.152 0.000 2.255 452 V HA -0.281 3.839 4.120 0.001 0.000 0.247 452 V C 2.582 178.527 176.094 -0.248 0.000 1.051 452 V CA 1.696 63.826 62.300 -0.282 0.000 1.018 452 V CB -0.510 31.211 31.823 -0.171 0.000 0.641 452 V HN 0.274 nan 8.190 nan 0.000 0.445 453 L N 0.362 121.499 121.223 -0.143 0.000 2.131 453 L HA -0.186 4.155 4.340 0.001 0.000 0.210 453 L C 2.671 179.478 176.870 -0.105 0.000 1.092 453 L CA 2.677 57.452 54.840 -0.109 0.000 0.759 453 L CB -0.878 41.138 42.059 -0.071 0.000 0.903 453 L HN 0.478 nan 8.230 nan 0.000 0.435 454 Q N -0.894 118.844 119.800 -0.103 0.000 2.123 454 Q HA -0.029 4.312 4.340 0.001 0.000 0.199 454 Q C 2.349 178.287 176.000 -0.102 0.000 0.966 454 Q CA 1.713 57.471 55.803 -0.075 0.000 0.845 454 Q CB -1.288 27.422 28.738 -0.046 0.000 0.907 454 Q HN 0.698 nan 8.270 nan 0.000 0.439 455 A N 0.318 123.016 122.820 -0.203 0.000 1.930 455 A HA 0.097 4.418 4.320 0.001 0.000 0.217 455 A C 2.349 179.825 177.584 -0.179 0.000 1.175 455 A CA 1.649 53.534 52.037 -0.253 0.000 0.627 455 A CB -0.427 18.131 19.000 -0.737 0.000 0.815 455 A HN 0.808 nan 8.150 nan 0.000 0.443 456 L N -0.216 120.896 121.223 -0.185 0.000 2.046 456 L HA -0.123 4.218 4.340 0.001 0.000 0.208 456 L C 2.090 178.940 176.870 -0.032 0.000 1.077 456 L CA 2.380 57.155 54.840 -0.109 0.000 0.747 456 L CB -0.428 41.559 42.059 -0.119 0.000 0.896 456 L HN 0.318 nan 8.230 nan 0.000 0.432 457 K N -1.026 119.355 120.400 -0.032 0.000 2.103 457 K HA -0.105 4.216 4.320 0.001 0.000 0.204 457 K C 2.152 178.763 176.600 0.019 0.000 1.052 457 K CA 1.030 57.317 56.287 -0.001 0.000 0.945 457 K CB -0.171 32.323 32.500 -0.010 0.000 0.722 457 K HN 0.325 nan 8.250 nan 0.000 0.443 458 Q N 0.929 120.734 119.800 0.009 0.000 2.020 458 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 458 Q C 2.252 178.291 176.000 0.064 0.000 0.982 458 Q CA 1.410 57.232 55.803 0.031 0.000 0.838 458 Q CB -0.374 28.377 28.738 0.021 0.000 0.899 458 Q HN 0.337 nan 8.270 nan 0.000 0.423 459 L N 0.670 121.937 121.223 0.073 0.000 2.079 459 L HA -0.236 4.104 4.340 0.001 0.000 0.210 459 L C 2.576 179.596 176.870 0.250 0.000 1.081 459 L CA 1.278 56.209 54.840 0.152 0.000 0.752 459 L CB -0.437 41.696 42.059 0.123 0.000 0.896 459 L HN 0.294 nan 8.230 nan 0.000 0.433 460 Q N -0.559 119.363 119.800 0.203 0.000 2.079 460 Q HA -0.215 4.126 4.340 0.001 0.000 0.200 460 Q C 2.259 178.292 176.000 0.054 0.000 0.974 460 Q CA 1.207 57.104 55.803 0.157 0.000 0.840 460 Q CB -0.182 28.633 28.738 0.128 0.000 0.898 460 Q HN 0.341 nan 8.270 nan 0.000 0.430 461 L N 0.592 121.851 121.223 0.058 0.000 2.093 461 L HA -0.109 4.231 4.340 0.001 0.000 0.208 461 L C 1.911 178.816 176.870 0.057 0.000 1.085 461 L CA 1.407 56.271 54.840 0.039 0.000 0.755 461 L CB -0.348 41.733 42.059 0.037 0.000 0.904 461 L HN 0.179 nan 8.230 nan 0.000 0.435 462 L N -0.432 120.856 121.223 0.108 0.000 2.093 462 L HA -0.218 4.123 4.340 0.001 0.000 0.208 462 L C 2.594 179.578 176.870 0.189 0.000 1.085 462 L CA 1.689 56.641 54.840 0.188 0.000 0.755 462 L CB -0.454 41.758 42.059 0.254 0.000 0.904 462 L HN 0.375 nan 8.230 nan 0.000 0.435 463 K N 0.499 120.957 120.400 0.096 0.000 2.103 463 K HA -0.125 4.196 4.320 0.001 0.000 0.204 463 K C 2.045 178.592 176.600 -0.088 0.000 1.052 463 K CA 1.255 57.522 56.287 -0.033 0.000 0.945 463 K CB -0.083 32.188 32.500 -0.383 0.000 0.722 463 K HN 0.190 nan 8.250 nan 0.000 0.443 464 A N 0.976 123.745 122.820 -0.084 0.000 1.969 464 A HA -0.149 4.171 4.320 0.001 0.000 0.218 464 A C 2.026 179.582 177.584 -0.046 0.000 1.169 464 A CA 1.313 53.307 52.037 -0.073 0.000 0.635 464 A CB -0.416 18.549 19.000 -0.058 0.000 0.810 464 A HN 0.500 nan 8.150 nan 0.000 0.445 465 Q N -1.064 118.721 119.800 -0.025 0.000 2.046 465 Q HA -0.097 4.243 4.340 0.001 0.000 0.200 465 Q C 2.152 178.113 176.000 -0.065 0.000 0.975 465 Q CA 1.509 57.295 55.803 -0.027 0.000 0.836 465 Q CB -0.257 28.483 28.738 0.003 0.000 0.896 465 Q HN 0.665 nan 8.270 nan 0.000 0.428 466 L N 0.938 122.093 121.223 -0.113 0.000 2.005 466 L HA -0.203 4.137 4.340 0.001 0.000 0.207 466 L C 1.538 178.354 176.870 -0.090 0.000 1.072 466 L CA 1.779 56.501 54.840 -0.197 0.000 0.744 466 L CB -0.311 41.456 42.059 -0.486 0.000 0.895 466 L HN 0.121 nan 8.230 nan 0.000 0.433 467 D N 0.239 120.603 120.400 -0.059 0.000 2.158 467 D HA -0.220 4.420 4.640 0.001 0.000 0.197 467 D C 2.128 178.406 176.300 -0.037 0.000 0.995 467 D CA 1.629 55.615 54.000 -0.022 0.000 0.846 467 D CB -0.195 40.583 40.800 -0.037 0.000 0.941 467 D HN 0.564 nan 8.370 nan 0.000 0.456 468 A N 0.333 123.127 122.820 -0.044 0.000 2.014 468 A HA 0.173 4.493 4.320 0.001 0.000 0.218 468 A C 2.181 179.744 177.584 -0.035 0.000 1.163 468 A CA 1.599 53.612 52.037 -0.040 0.000 0.652 468 A CB -0.157 18.822 19.000 -0.036 0.000 0.808 468 A HN 0.235 nan 8.150 nan 0.000 0.449 469 A N -0.775 122.022 122.820 -0.038 0.000 1.956 469 A HA 0.385 4.706 4.320 0.001 0.000 0.212 469 A C 0.894 178.462 177.584 -0.027 0.000 1.188 469 A CA 0.361 52.377 52.037 -0.036 0.000 0.675 469 A CB -0.297 18.672 19.000 -0.051 0.000 0.845 469 A HN 0.229 nan 8.150 nan 0.000 0.455 470 V N 2.822 122.729 119.914 -0.012 0.000 2.470 470 V HA 0.275 4.396 4.120 0.001 0.000 0.276 470 V C 0.441 176.578 176.094 0.071 0.000 1.040 470 V CA 0.374 62.689 62.300 0.024 0.000 1.008 470 V CB 0.510 32.375 31.823 0.070 0.000 0.990 470 V HN 0.559 nan 8.190 nan 0.000 0.477 471 T N 3.318 117.911 114.554 0.064 0.000 2.867 471 T HA 0.592 4.942 4.350 0.001 0.000 0.282 471 T C -0.472 174.354 174.700 0.209 0.000 1.000 471 T CA -0.638 61.518 62.100 0.094 0.000 1.042 471 T CB 0.947 69.841 68.868 0.044 0.000 0.973 471 T HN 0.147 nan 8.240 nan 0.000 0.465 472 F N 2.218 122.126 119.950 -0.068 0.000 2.504 472 F HA 0.463 4.990 4.527 0.000 0.000 0.369 472 F C 1.497 177.313 175.800 0.026 0.000 1.082 472 F CA -0.809 57.152 58.000 -0.064 0.000 1.216 472 F CB 0.029 38.959 39.000 -0.116 0.000 1.108 472 F HN 0.907 nan 8.300 nan 0.000 0.554 473 G N 5.443 114.325 108.800 0.137 0.000 2.432 473 G HA2 0.286 4.247 3.960 0.001 0.000 0.239 473 G HA3 0.286 4.247 3.960 0.001 0.000 0.239 473 G C -2.557 172.428 174.900 0.141 0.000 1.291 473 G CA -1.047 44.107 45.100 0.089 0.000 0.863 473 G HN 0.354 nan 8.290 nan 0.000 0.560 474 P HA 0.068 nan 4.420 nan 0.000 0.268 474 P C 0.287 177.498 177.300 -0.147 0.000 1.204 474 P CA -0.112 63.002 63.100 0.023 0.000 0.768 474 P CB 1.079 32.780 31.700 0.001 0.000 0.842 475 S N 2.436 117.964 115.700 -0.287 0.000 2.537 475 S HA -0.019 4.451 4.470 0.001 0.000 0.286 475 S C 1.346 175.722 174.600 -0.373 0.000 1.299 475 S CA -0.232 57.585 58.200 -0.639 0.000 1.067 475 S CB -0.047 62.778 63.200 -0.624 0.000 0.864 475 S HN 0.285 nan 8.310 nan 0.000 0.494 476 Q N 3.569 123.138 119.800 -0.386 0.000 2.137 476 Q HA -0.022 4.318 4.340 0.001 0.000 0.198 476 Q C 2.211 178.073 176.000 -0.231 0.000 0.960 476 Q CA 1.084 56.726 55.803 -0.267 0.000 0.847 476 Q CB -0.453 28.108 28.738 -0.294 0.000 0.915 476 Q HN 0.724 nan 8.270 nan 0.000 0.448 477 V N 1.043 120.792 119.914 -0.276 0.000 2.515 477 V HA -0.147 3.974 4.120 0.001 0.000 0.250 477 V C 2.118 178.132 176.094 -0.134 0.000 1.058 477 V CA 1.562 63.746 62.300 -0.194 0.000 1.064 477 V CB -0.772 30.932 31.823 -0.200 0.000 0.675 477 V HN 0.252 nan 8.190 nan 0.000 0.461 478 A N -0.361 122.368 122.820 -0.150 0.000 2.208 478 A HA -0.038 4.283 4.320 0.001 0.000 0.209 478 A C 2.172 179.725 177.584 -0.052 0.000 1.161 478 A CA 0.437 52.428 52.037 -0.076 0.000 0.782 478 A CB -0.459 18.503 19.000 -0.064 0.000 0.816 478 A HN 0.472 nan 8.150 nan 0.000 0.477 479 R N -0.468 119.994 120.500 -0.063 0.000 2.357 479 R HA 0.188 4.528 4.340 0.001 0.000 0.202 479 R C 1.005 177.300 176.300 -0.009 0.000 1.047 479 R CA 0.510 56.592 56.100 -0.030 0.000 1.034 479 R CB -0.352 29.933 30.300 -0.026 0.000 0.875 479 R HN 0.669 nan 8.270 nan 0.000 0.473 480 G N 0.675 109.467 108.800 -0.012 0.000 2.712 480 G HA2 -0.214 3.747 3.960 0.001 0.000 0.683 480 G HA3 -0.214 3.747 3.960 0.001 0.000 0.683 480 G C -1.103 173.804 174.900 0.011 0.000 1.320 480 G CA -0.866 44.236 45.100 0.002 0.000 0.847 480 G HN 0.238 nan 8.290 nan 0.000 0.553 481 E N -0.242 119.967 120.200 0.015 0.000 2.221 481 E HA 0.579 4.929 4.350 0.001 0.000 0.268 481 E C -1.156 175.460 176.600 0.027 0.000 0.933 481 E CA -0.766 55.647 56.400 0.021 0.000 0.809 481 E CB 2.222 31.930 29.700 0.014 0.000 1.190 481 E HN 0.520 nan 8.360 nan 0.000 0.406 482 D N 2.051 122.473 120.400 0.035 0.000 2.616 482 D HA 0.202 4.842 4.640 0.001 0.000 0.238 482 D C -2.271 174.053 176.300 0.039 0.000 1.354 482 D CA -2.269 51.752 54.000 0.036 0.000 0.970 482 D CB 1.737 42.562 40.800 0.041 0.000 1.369 482 D HN -0.005 nan 8.370 nan 0.000 0.585 483 P HA -0.053 nan 4.420 nan 0.000 0.219 483 P C 1.128 178.453 177.300 0.043 0.000 1.146 483 P CA 0.973 64.094 63.100 0.034 0.000 0.808 483 P CB 0.145 31.861 31.700 0.027 0.000 0.779 484 A N -0.685 122.160 122.820 0.041 0.000 2.125 484 A HA -0.117 4.203 4.320 0.001 0.000 0.219 484 A C 1.747 179.365 177.584 0.056 0.000 1.156 484 A CA 1.130 53.194 52.037 0.045 0.000 0.671 484 A CB -1.279 17.744 19.000 0.038 0.000 0.794 484 A HN 0.075 nan 8.150 nan 0.000 0.459 485 L N -0.119 121.144 121.223 0.067 0.000 2.599 485 L HA 0.079 4.420 4.340 0.001 0.000 0.230 485 L C 0.838 177.772 176.870 0.107 0.000 1.141 485 L CA 0.609 55.502 54.840 0.089 0.000 0.877 485 L CB -1.182 40.940 42.059 0.105 0.000 1.009 485 L HN 0.480 nan 8.230 nan 0.000 0.447 486 Q N 0.326 120.181 119.800 0.093 0.000 2.289 486 Q HA 0.139 4.480 4.340 0.001 0.000 0.273 486 Q C 0.033 176.097 176.000 0.108 0.000 1.029 486 Q CA -0.219 55.651 55.803 0.113 0.000 0.896 486 Q CB 0.934 29.724 28.738 0.087 0.000 1.182 486 Q HN 0.185 nan 8.270 nan 0.000 0.385 487 I N 1.728 122.373 120.570 0.125 0.000 2.906 487 I HA -0.201 3.970 4.170 0.001 0.000 0.302 487 I C 0.119 176.276 176.117 0.066 0.000 1.220 487 I CA 0.486 61.839 61.300 0.089 0.000 1.441 487 I CB 0.192 38.239 38.000 0.080 0.000 1.336 487 I HN 0.611 nan 8.210 nan 0.000 0.565 488 c N 7.412 126.040 118.600 0.045 0.000 2.478 488 c HA 0.242 4.812 4.570 0.001 0.000 0.334 488 c C 1.486 175.581 174.090 0.008 0.000 1.106 488 c CA -0.845 55.502 56.329 0.029 0.000 1.363 488 c CB 0.177 42.715 42.510 0.047 0.000 1.941 488 c HN 1.131 nan 8.230 nan 0.000 0.436 489 c N 2.925 121.497 118.600 -0.047 0.000 2.392 489 c HA -0.150 4.421 4.570 0.001 0.000 0.276 489 c C 1.332 175.431 174.090 0.016 0.000 1.212 489 c CA 1.432 57.705 56.329 -0.092 0.000 1.791 489 c CB -1.416 40.916 42.510 -0.297 0.000 2.063 489 c HN 0.880 nan 8.230 nan 0.000 0.481 490 H N -0.110 118.940 119.070 -0.034 0.000 2.317 490 H HA 0.259 4.815 4.556 0.001 0.000 0.231 490 H C -2.378 172.943 175.328 -0.011 0.000 1.442 490 H CA -1.918 54.109 56.048 -0.035 0.000 1.336 490 H CB 0.245 29.973 29.762 -0.057 0.000 1.533 490 H HN 0.373 nan 8.280 nan 0.000 0.522 491 P HA -0.129 nan 4.420 nan 0.000 0.264 491 P C 1.333 178.667 177.300 0.056 0.000 1.179 491 P CA 1.493 64.632 63.100 0.066 0.000 0.763 491 P CB 0.806 32.534 31.700 0.046 0.000 0.806 492 G N 1.276 110.104 108.800 0.047 0.000 2.377 492 G HA2 -0.363 3.598 3.960 0.001 0.000 0.250 492 G HA3 -0.363 3.598 3.960 0.001 0.000 0.250 492 G C 0.609 175.534 174.900 0.042 0.000 1.039 492 G CA 0.229 45.350 45.100 0.036 0.000 0.625 492 G HN 0.967 nan 8.290 nan 0.000 0.526 493 c N 0.867 119.504 118.600 0.061 0.000 2.970 493 c HA 0.520 5.090 4.570 0.001 0.000 0.381 493 c C 0.912 175.035 174.090 0.056 0.000 1.234 493 c CA 0.920 57.288 56.329 0.065 0.000 1.851 493 c CB -0.388 42.194 42.510 0.120 0.000 2.576 493 c HN 1.797 nan 8.230 nan 0.000 0.714 494 T N -1.669 112.918 114.554 0.055 0.000 2.932 494 T HA 0.727 5.078 4.350 0.001 0.000 0.318 494 T C -2.942 171.791 174.700 0.055 0.000 1.265 494 T CA -0.749 61.380 62.100 0.048 0.000 1.036 494 T CB 1.148 70.036 68.868 0.034 0.000 1.209 494 T HN 0.886 nan 8.240 nan 0.000 0.484 495 P HA 0.363 nan 4.420 nan 0.000 0.281 495 P C -0.565 176.766 177.300 0.052 0.000 1.252 495 P CA -0.585 62.541 63.100 0.044 0.000 0.778 495 P CB 0.816 32.537 31.700 0.034 0.000 0.895 496 R N 3.797 124.326 120.500 0.047 0.000 2.438 496 R HA 0.203 4.544 4.340 0.001 0.000 0.287 496 R C -1.285 175.038 176.300 0.038 0.000 1.077 496 R CA -1.114 55.015 56.100 0.048 0.000 1.034 496 R CB 0.509 30.835 30.300 0.044 0.000 0.993 496 R HN 0.441 nan 8.270 nan 0.000 0.459 497 P HA 0.142 nan 4.420 nan 0.000 0.252 497 P C 0.544 177.872 177.300 0.048 0.000 1.211 497 P CA 0.199 63.323 63.100 0.041 0.000 0.824 497 P CB 0.460 32.179 31.700 0.032 0.000 1.077 498 A N 0.613 123.456 122.820 0.038 0.000 2.070 498 A HA -0.182 4.138 4.320 0.001 0.000 0.220 498 A C 2.269 179.917 177.584 0.106 0.000 1.159 498 A CA 1.658 53.711 52.037 0.027 0.000 0.656 498 A CB -1.744 17.252 19.000 -0.006 0.000 0.800 498 A HN 0.477 nan 8.150 nan 0.000 0.453 499 c N -2.233 116.454 118.600 0.145 0.000 2.448 499 c HA 0.106 4.676 4.570 0.001 0.000 0.280 499 c C 1.298 175.530 174.090 0.237 0.000 1.398 499 c CA -0.772 55.702 56.329 0.241 0.000 1.774 499 c CB -2.361 40.248 42.510 0.165 0.000 1.888 499 c HN 0.533 nan 8.230 nan 0.000 0.519 500 c N 3.320 122.002 118.600 0.136 0.000 2.573 500 c HA 0.502 5.072 4.570 0.001 0.000 0.369 500 c C 0.057 174.162 174.090 0.025 0.000 1.205 500 c CA 0.217 56.566 56.329 0.033 0.000 1.535 500 c CB -2.750 39.783 42.510 0.039 0.000 2.159 500 c HN 0.927 nan 8.230 nan 0.000 0.558 501 H N -0.450 118.424 119.070 -0.326 0.000 3.141 501 H HA 0.439 4.995 4.556 0.001 0.000 0.309 501 H C -0.856 174.250 175.328 -0.369 0.000 1.083 501 H CA -0.856 55.035 56.048 -0.261 0.000 1.466 501 H CB -0.413 29.275 29.762 -0.124 0.000 2.095 501 H HN 0.548 nan 8.280 nan 0.000 0.467 502 c N 4.483 122.881 118.600 -0.337 0.000 3.233 502 c HA 0.597 5.167 4.570 0.001 0.000 0.299 502 c C -2.624 171.416 174.090 -0.084 0.000 1.060 502 c CA -1.338 54.839 56.329 -0.253 0.000 1.382 502 c CB 0.332 42.654 42.510 -0.314 0.000 1.828 502 c HN 0.857 nan 8.230 nan 0.000 0.530 503 P HA 0.000 nan 4.420 nan 0.000 0.216 503 P CA 0.000 63.108 63.100 0.014 0.000 0.800 503 P CB 0.000 31.729 31.700 0.048 0.000 0.726