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 1tzl_1_F DATA FIRST_RESID 44 DATA SEQUENCE DIKYDVVIVG SGPIGCTYAR ELVGAGYKVA XFDIGEIDSG LKIGAHKKNT DATA SEQUENCE VEYQKNIDKF VNVIQGQLXS VSVPVNTLVV DTLSPTSWQA STFFVRNGSN DATA SEQUENCE PEQDPLRNLS GQAVTRVVGG XSTHWTCATP RFDREQRPLL VKDDADADDA DATA SEQUENCE EWDRLYTKAE SYFQTGTDQF KESIRHNLVL NKLAEEYKGQ RDFQQIPLAA DATA SEQUENCE TRRSPTFVEW SSANTVFDLQ NRPNTDAPEE RFNLFPAVAC ERVVRNALNS DATA SEQUENCE EIESLHIHDL ISGDRFEIKA DVYVLTAGAV HNTQLLVNSG FGQLGRPNPT DATA SEQUENCE NPPELLPSLG SYITEQSLVF CQTVXSTELI DSVKSDXTIR GTPGELTYSV DATA SEQUENCE TYTPGASTNK HPDWWNEKVK NHXXQHQEDP LPIPFEDPEP QVTTLFQPSH DATA SEQUENCE PWHTQIHRDA FSYGAVQQSI DSRLIVDWRF FGRTEPKEEN KLWFSDKITD DATA SEQUENCE AYNXPQPTFD FRFPAGRTSK EAEDXXTDXC VXSAKIGGFL PGSLPQFXEP DATA SEQUENCE GLVLHLGGTH RXGFDEKEDN CCVNTDSRVF GFKNLFLGGC GNIPTAYGAN DATA SEQUENCE PTLTAXSLAI KSCEYIKQNF TPSPFT 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 44 D HA 0.000 nan 4.640 nan 0.000 0.175 44 D C 0.000 176.210 176.300 -0.150 0.000 2.045 44 D CA 0.000 53.965 54.000 -0.058 0.000 0.868 44 D CB 0.000 40.705 40.800 -0.159 0.000 0.688 45 I N 1.619 122.065 120.570 -0.207 0.000 2.141 45 I HA 0.060 4.230 4.170 -0.000 0.000 0.236 45 I C 0.566 176.568 176.117 -0.193 0.000 1.071 45 I CA 1.665 62.877 61.300 -0.146 0.000 1.345 45 I CB -0.031 37.913 38.000 -0.094 0.000 1.066 45 I HN 0.349 nan 8.210 nan 0.000 0.406 46 K N -0.761 119.446 120.400 -0.321 0.000 2.259 46 K HA 0.402 4.722 4.320 -0.000 0.000 0.252 46 K C -1.765 174.528 176.600 -0.513 0.000 0.936 46 K CA -0.361 55.772 56.287 -0.258 0.000 0.810 46 K CB 1.009 33.437 32.500 -0.119 0.000 1.143 46 K HN 0.055 nan 8.250 nan 0.000 0.427 47 Y N 1.380 121.670 120.300 -0.017 0.000 2.524 47 Y HA 0.239 4.789 4.550 -0.000 0.000 0.344 47 Y C 0.604 176.473 175.900 -0.052 0.000 1.012 47 Y CA -0.608 57.471 58.100 -0.035 0.000 1.068 47 Y CB 1.963 40.407 38.460 -0.028 0.000 1.249 47 Y HN 0.715 nan 8.280 nan 0.000 0.468 48 D N 0.416 120.895 120.400 0.132 0.000 2.091 48 D HA 0.001 4.641 4.640 -0.000 0.000 0.199 48 D C -0.244 176.034 176.300 -0.036 0.000 0.980 48 D CA 1.488 55.541 54.000 0.089 0.000 0.831 48 D CB 0.237 41.169 40.800 0.219 0.000 0.987 48 D HN 0.128 nan 8.370 nan 0.000 0.460 49 V N 0.893 120.781 119.914 -0.043 0.000 2.709 49 V HA 0.362 4.482 4.120 -0.000 0.000 0.308 49 V C -0.338 175.661 176.094 -0.158 0.000 1.062 49 V CA -0.820 61.368 62.300 -0.187 0.000 0.901 49 V CB 2.927 34.614 31.823 -0.226 0.000 1.003 49 V HN -0.242 nan 8.190 nan 0.000 0.425 50 V N 5.876 125.661 119.914 -0.217 0.000 2.409 50 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 50 V C -0.400 175.656 176.094 -0.063 0.000 1.020 50 V CA -0.334 61.907 62.300 -0.100 0.000 0.848 50 V CB 1.716 33.532 31.823 -0.013 0.000 0.990 50 V HN 0.693 nan 8.190 nan 0.000 0.430 51 I N 5.073 125.623 120.570 -0.035 0.000 2.378 51 I HA 0.440 4.610 4.170 -0.000 0.000 0.291 51 I C -0.429 175.722 176.117 0.056 0.000 0.992 51 I CA -0.859 60.407 61.300 -0.057 0.000 1.154 51 I CB 2.090 40.037 38.000 -0.087 0.000 1.315 51 I HN 0.244 nan 8.210 nan 0.000 0.448 52 V N 5.644 125.574 119.914 0.026 0.000 2.318 52 V HA 0.760 4.880 4.120 -0.000 0.000 0.271 52 V C 0.444 176.550 176.094 0.021 0.000 1.030 52 V CA -0.272 62.063 62.300 0.058 0.000 0.844 52 V CB 0.420 32.249 31.823 0.009 0.000 1.015 52 V HN 1.066 nan 8.190 nan 0.000 0.460 53 G N 3.784 112.614 108.800 0.049 0.000 3.055 53 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.685 53 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.685 53 G C -0.102 174.822 174.900 0.040 0.000 1.212 53 G CA -0.271 44.850 45.100 0.035 0.000 0.822 53 G HN 1.214 nan 8.290 nan 0.000 0.610 54 S N 1.205 116.933 115.700 0.047 0.000 2.562 54 S HA 0.619 5.089 4.470 -0.000 0.000 0.246 54 S C 1.210 175.831 174.600 0.036 0.000 1.056 54 S CA 0.645 58.881 58.200 0.060 0.000 1.042 54 S CB 0.556 63.805 63.200 0.081 0.000 0.822 54 S HN 1.883 nan 8.310 nan 0.000 0.465 55 G N 2.438 111.247 108.800 0.014 0.000 2.588 55 G HA2 0.435 4.395 3.960 -0.000 0.000 0.278 55 G HA3 0.435 4.395 3.960 -0.000 0.000 0.278 55 G C -1.228 173.652 174.900 -0.032 0.000 1.307 55 G CA -1.533 43.555 45.100 -0.020 0.000 1.016 55 G HN 0.248 nan 8.290 nan 0.000 0.503 56 P HA -0.081 nan 4.420 nan 0.000 0.220 56 P C 1.706 178.931 177.300 -0.124 0.000 1.148 56 P CA 0.781 63.815 63.100 -0.110 0.000 0.803 56 P CB 0.177 31.803 31.700 -0.125 0.000 0.782 57 I N -0.130 120.403 120.570 -0.062 0.000 2.406 57 I HA -0.026 4.144 4.170 -0.000 0.000 0.249 57 I C 2.664 178.833 176.117 0.087 0.000 1.122 57 I CA 1.420 62.716 61.300 -0.007 0.000 1.431 57 I CB -2.263 35.764 38.000 0.044 0.000 1.087 57 I HN -0.006 nan 8.210 nan 0.000 0.424 58 G N 0.337 109.173 108.800 0.059 0.000 2.418 58 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 58 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 58 G C 1.732 176.638 174.900 0.010 0.000 1.158 58 G CA 0.969 46.104 45.100 0.058 0.000 0.771 58 G HN 0.414 nan 8.290 nan 0.000 0.545 59 C N 0.646 119.925 119.300 -0.036 0.000 2.448 59 C HA 0.058 4.518 4.460 -0.000 0.000 0.280 59 C C 3.154 178.024 174.990 -0.201 0.000 1.398 59 C CA 1.283 60.241 59.018 -0.101 0.000 1.774 59 C CB -0.925 26.814 27.740 -0.002 0.000 1.888 59 C HN 0.435 nan 8.230 nan 0.000 0.519 60 T N -0.013 114.443 114.554 -0.164 0.000 2.777 60 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 60 T C 1.457 176.005 174.700 -0.253 0.000 1.040 60 T CA 1.540 63.514 62.100 -0.210 0.000 1.141 60 T CB -0.365 68.382 68.868 -0.201 0.000 0.868 60 T HN 0.564 nan 8.240 nan 0.000 0.444 61 Y N 1.447 121.609 120.300 -0.230 0.000 2.181 61 Y HA -0.003 4.547 4.550 -0.000 0.000 0.288 61 Y C 2.721 178.407 175.900 -0.357 0.000 1.146 61 Y CA 0.840 58.785 58.100 -0.259 0.000 1.164 61 Y CB -0.611 37.714 38.460 -0.225 0.000 0.982 61 Y HN 0.191 nan 8.280 nan 0.000 0.515 62 A N 0.242 122.871 122.820 -0.318 0.000 1.858 62 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 62 A C 2.296 179.307 177.584 -0.954 0.000 1.190 62 A CA 1.745 53.344 52.037 -0.730 0.000 0.617 62 A CB -0.774 17.540 19.000 -1.143 0.000 0.827 62 A HN 0.397 nan 8.150 nan 0.000 0.443 63 R N -0.338 119.647 120.500 -0.858 0.000 2.113 63 R HA -0.196 4.144 4.340 -0.000 0.000 0.244 63 R C 2.028 178.125 176.300 -0.339 0.000 1.142 63 R CA 1.960 57.740 56.100 -0.533 0.000 0.953 63 R CB -0.286 29.737 30.300 -0.463 0.000 0.860 63 R HN 0.606 nan 8.270 nan 0.000 0.438 64 E N 0.242 120.273 120.200 -0.282 0.000 2.072 64 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 64 E C 2.150 178.688 176.600 -0.103 0.000 0.985 64 E CA 1.129 57.436 56.400 -0.155 0.000 0.801 64 E CB -0.050 29.559 29.700 -0.151 0.000 0.750 64 E HN 0.427 nan 8.360 nan 0.000 0.452 65 L N 0.293 121.427 121.223 -0.147 0.000 2.202 65 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 65 L C 2.515 179.426 176.870 0.068 0.000 1.083 65 L CA 0.249 55.049 54.840 -0.067 0.000 0.790 65 L CB -0.232 41.688 42.059 -0.231 0.000 0.942 65 L HN -0.064 nan 8.230 nan 0.000 0.452 66 V N 0.558 120.426 119.914 -0.076 0.000 2.343 66 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 66 V C 2.572 178.693 176.094 0.045 0.000 1.051 66 V CA 2.042 64.337 62.300 -0.008 0.000 1.036 66 V CB -1.145 30.606 31.823 -0.119 0.000 0.654 66 V HN 0.566 nan 8.190 nan 0.000 0.451 67 G N -0.707 108.094 108.800 0.003 0.000 2.471 67 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.219 67 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.219 67 G C 1.365 176.296 174.900 0.051 0.000 1.125 67 G CA 0.783 45.898 45.100 0.025 0.000 0.775 67 G HN 0.627 nan 8.290 nan 0.000 0.548 68 A N -0.623 122.255 122.820 0.096 0.000 2.345 68 A HA 0.522 4.842 4.320 -0.000 0.000 0.225 68 A C 1.807 179.407 177.584 0.027 0.000 1.243 68 A CA 1.081 53.184 52.037 0.111 0.000 0.875 68 A CB -0.221 18.917 19.000 0.229 0.000 0.929 68 A HN 1.454 nan 8.150 nan 0.000 0.502 69 G N -1.926 106.897 108.800 0.039 0.000 2.157 69 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.239 69 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.239 69 G C -0.055 174.778 174.900 -0.111 0.000 0.982 69 G CA 0.106 45.184 45.100 -0.038 0.000 0.650 69 G HN 0.400 nan 8.290 nan 0.000 0.527 70 Y N 0.447 120.745 120.300 -0.003 0.000 2.336 70 Y HA 0.444 4.994 4.550 -0.000 0.000 0.331 70 Y C 1.089 176.978 175.900 -0.018 0.000 1.211 70 Y CA 0.093 58.185 58.100 -0.013 0.000 1.346 70 Y CB 0.744 39.190 38.460 -0.025 0.000 1.271 70 Y HN 0.093 nan 8.280 nan 0.000 0.538 71 K N 2.646 123.125 120.400 0.132 0.000 2.310 71 K HA 0.416 4.736 4.320 -0.000 0.000 0.290 71 K C -1.584 175.117 176.600 0.169 0.000 1.077 71 K CA -0.181 56.160 56.287 0.089 0.000 0.922 71 K CB 0.086 32.599 32.500 0.022 0.000 1.057 71 K HN 0.489 nan 8.250 nan 0.000 0.479 72 V N 3.716 123.713 119.914 0.138 0.000 2.459 72 V HA 0.592 4.712 4.120 -0.000 0.000 0.295 72 V C 0.025 176.010 176.094 -0.181 0.000 1.029 72 V CA -0.762 61.570 62.300 0.053 0.000 0.874 72 V CB 1.242 33.144 31.823 0.131 0.000 0.985 72 V HN 0.951 nan 8.190 nan 0.000 0.438 76 D N 2.493 123.003 120.400 0.184 0.000 2.738 76 D HA 0.364 5.004 4.640 -0.000 0.000 0.237 76 D C 0.339 176.679 176.300 0.066 0.000 1.123 76 D CA -0.390 53.667 54.000 0.094 0.000 0.856 76 D CB 2.725 43.561 40.800 0.061 0.000 1.552 76 D HN 0.687 nan 8.370 nan 0.000 0.480 77 I N 1.919 122.482 120.570 -0.011 0.000 2.546 77 I HA 0.053 4.223 4.170 -0.000 0.000 0.255 77 I C 1.156 177.258 176.117 -0.026 0.000 1.163 77 I CA 0.812 62.065 61.300 -0.078 0.000 1.457 77 I CB 0.116 37.951 38.000 -0.274 0.000 1.092 77 I HN 0.346 nan 8.210 nan 0.000 0.434 78 G N 0.041 108.841 108.800 -0.001 0.000 2.557 78 G HA2 0.341 4.301 3.960 -0.000 0.000 0.292 78 G HA3 0.341 4.301 3.960 -0.000 0.000 0.292 78 G C -0.833 174.097 174.900 0.050 0.000 1.237 78 G CA -0.422 44.698 45.100 0.034 0.000 0.978 78 G HN 0.319 nan 8.290 nan 0.000 0.498 79 E N -1.301 118.932 120.200 0.056 0.000 2.235 79 E HA 0.353 4.703 4.350 -0.000 0.000 0.265 79 E C -0.362 176.269 176.600 0.051 0.000 0.940 79 E CA -0.703 55.729 56.400 0.054 0.000 0.819 79 E CB 2.406 32.139 29.700 0.056 0.000 1.206 79 E HN 0.283 nan 8.360 nan 0.000 0.409 80 I N 2.336 122.933 120.570 0.046 0.000 2.581 80 I HA -0.082 4.088 4.170 -0.000 0.000 0.285 80 I C 0.786 176.935 176.117 0.053 0.000 1.129 80 I CA 0.658 61.986 61.300 0.046 0.000 1.397 80 I CB 0.156 38.177 38.000 0.035 0.000 1.399 80 I HN 0.574 nan 8.210 nan 0.000 0.537 81 D N 3.092 123.529 120.400 0.062 0.000 3.012 81 D HA 0.006 4.646 4.640 -0.000 0.000 0.284 81 D C 0.866 177.216 176.300 0.084 0.000 1.259 81 D CA 0.754 54.798 54.000 0.072 0.000 1.036 81 D CB 0.502 41.349 40.800 0.079 0.000 1.167 81 D HN 0.534 nan 8.370 nan 0.000 0.429 82 S N 0.685 116.442 115.700 0.096 0.000 3.548 82 S HA 0.554 5.024 4.470 -0.000 0.000 0.195 82 S C 0.641 175.310 174.600 0.116 0.000 1.432 82 S CA 0.040 58.314 58.200 0.124 0.000 1.087 82 S CB 0.485 63.772 63.200 0.145 0.000 1.337 82 S HN 0.494 nan 8.310 nan 0.000 0.505 83 G N 1.513 110.370 108.800 0.095 0.000 2.728 83 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.294 83 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.294 83 G C 0.248 175.185 174.900 0.062 0.000 1.342 83 G CA -0.364 44.786 45.100 0.083 0.000 0.866 83 G HN 0.527 nan 8.290 nan 0.000 0.534 84 L N -0.132 121.121 121.223 0.051 0.000 2.131 84 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 84 L C 1.710 178.596 176.870 0.028 0.000 1.092 84 L CA 1.464 56.323 54.840 0.032 0.000 0.759 84 L CB -0.404 41.669 42.059 0.023 0.000 0.903 84 L HN 0.429 nan 8.230 nan 0.000 0.435 85 K N 1.571 121.997 120.400 0.043 0.000 2.292 85 K HA 0.263 4.583 4.320 -0.000 0.000 0.290 85 K C -0.262 176.364 176.600 0.044 0.000 1.083 85 K CA -0.167 56.142 56.287 0.037 0.000 0.918 85 K CB 0.501 33.036 32.500 0.059 0.000 1.089 85 K HN 0.103 nan 8.250 nan 0.000 0.473 86 I N 2.211 122.793 120.570 0.019 0.000 2.668 86 I HA -0.075 4.095 4.170 -0.000 0.000 0.285 86 I C 1.375 177.516 176.117 0.040 0.000 1.168 86 I CA 0.712 62.028 61.300 0.027 0.000 1.424 86 I CB 0.179 38.185 38.000 0.010 0.000 1.377 86 I HN 0.959 nan 8.210 nan 0.000 0.560 87 G N 4.256 113.093 108.800 0.061 0.000 2.153 87 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.252 87 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.252 87 G C 0.320 175.280 174.900 0.100 0.000 0.994 87 G CA 0.056 45.198 45.100 0.070 0.000 0.698 87 G HN 0.990 nan 8.290 nan 0.000 0.521 88 A N -0.332 122.561 122.820 0.122 0.000 2.287 88 A HA 0.609 4.929 4.320 -0.000 0.000 0.273 88 A C 0.599 178.317 177.584 0.224 0.000 1.091 88 A CA -0.314 51.832 52.037 0.182 0.000 0.817 88 A CB 0.275 19.380 19.000 0.176 0.000 1.069 88 A HN 0.615 nan 8.150 nan 0.000 0.492 89 H N 0.433 119.642 119.070 0.233 0.000 2.929 89 H HA 0.076 4.632 4.556 -0.000 0.000 0.317 89 H C 0.648 176.119 175.328 0.238 0.000 1.031 89 H CA 0.759 56.962 56.048 0.257 0.000 1.466 89 H CB 0.788 30.716 29.762 0.277 0.000 1.482 89 H HN 0.684 nan 8.280 nan 0.000 0.561 90 K N 3.325 123.907 120.400 0.303 0.000 2.362 90 K HA -0.057 4.263 4.320 -0.000 0.000 0.200 90 K C 1.873 178.761 176.600 0.480 0.000 1.046 90 K CA 0.544 57.090 56.287 0.432 0.000 0.952 90 K CB 0.312 33.074 32.500 0.437 0.000 0.753 90 K HN 0.447 nan 8.250 nan 0.000 0.466 91 K N 0.546 121.118 120.400 0.287 0.000 2.432 91 K HA 0.008 4.328 4.320 -0.000 0.000 0.196 91 K C 0.187 176.857 176.600 0.118 0.000 1.038 91 K CA 0.444 56.590 56.287 -0.235 0.000 0.986 91 K CB 0.190 32.199 32.500 -0.818 0.000 0.782 91 K HN 0.089 nan 8.250 nan 0.000 0.485 92 N N 2.014 120.873 118.700 0.266 0.000 2.509 92 N HA -0.036 4.704 4.740 -0.000 0.000 0.239 92 N C -0.404 175.368 175.510 0.437 0.000 1.215 92 N CA 0.345 53.575 53.050 0.300 0.000 0.882 92 N CB 0.264 38.943 38.487 0.320 0.000 1.189 92 N HN 0.225 nan 8.380 nan 0.000 0.490 93 T N -4.663 110.132 114.554 0.403 0.000 2.918 93 T HA 0.352 4.702 4.350 -0.000 0.000 0.286 93 T C 1.488 176.397 174.700 0.348 0.000 1.026 93 T CA -0.793 61.508 62.100 0.334 0.000 1.031 93 T CB 1.658 70.668 68.868 0.238 0.000 1.046 93 T HN -0.197 nan 8.240 nan 0.000 0.479 94 V N 1.218 121.262 119.914 0.218 0.000 2.332 94 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 94 V C 2.822 178.982 176.094 0.110 0.000 1.055 94 V CA 2.426 64.824 62.300 0.164 0.000 1.038 94 V CB -0.954 30.887 31.823 0.030 0.000 0.651 94 V HN 1.050 nan 8.190 nan 0.000 0.450 95 E N -0.449 119.760 120.200 0.015 0.000 2.077 95 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 95 E C 1.986 178.525 176.600 -0.103 0.000 0.989 95 E CA 1.642 57.982 56.400 -0.098 0.000 0.800 95 E CB -0.311 29.255 29.700 -0.224 0.000 0.746 95 E HN 0.687 nan 8.360 nan 0.000 0.452 96 Y N 0.524 120.897 120.300 0.121 0.000 2.439 96 Y HA 0.026 4.576 4.550 -0.000 0.000 0.292 96 Y C 1.924 177.855 175.900 0.053 0.000 1.130 96 Y CA 0.973 59.132 58.100 0.100 0.000 1.254 96 Y CB -0.021 38.520 38.460 0.135 0.000 1.000 96 Y HN 0.168 nan 8.280 nan 0.000 0.554 97 Q N -0.467 119.462 119.800 0.215 0.000 2.425 97 Q HA -0.032 4.308 4.340 -0.000 0.000 0.204 97 Q C 1.376 177.453 176.000 0.127 0.000 0.933 97 Q CA 0.486 56.383 55.803 0.156 0.000 0.939 97 Q CB 0.158 28.983 28.738 0.146 0.000 1.044 97 Q HN 0.435 nan 8.270 nan 0.000 0.513 98 K N 0.110 120.575 120.400 0.107 0.000 2.361 98 K HA 0.114 4.434 4.320 -0.000 0.000 0.194 98 K C 0.224 176.854 176.600 0.051 0.000 1.032 98 K CA 0.258 56.585 56.287 0.068 0.000 1.048 98 K CB 0.613 33.139 32.500 0.045 0.000 0.842 98 K HN 0.049 nan 8.250 nan 0.000 0.526 99 N N 1.159 119.902 118.700 0.072 0.000 2.687 99 N HA 0.047 4.787 4.740 -0.000 0.000 0.275 99 N C 0.137 175.698 175.510 0.085 0.000 1.789 99 N CA 0.019 53.106 53.050 0.063 0.000 0.806 99 N CB 1.019 39.538 38.487 0.054 0.000 1.256 99 N HN -0.034 nan 8.380 nan 0.000 0.500 100 I N 2.379 122.959 120.570 0.017 0.000 2.315 100 I HA -0.280 3.889 4.170 -0.000 0.000 0.251 100 I C 1.971 177.869 176.117 -0.366 0.000 1.125 100 I CA 1.745 62.998 61.300 -0.080 0.000 1.392 100 I CB -0.072 37.898 38.000 -0.051 0.000 1.065 100 I HN 0.338 nan 8.210 nan 0.000 0.424 101 D N -0.398 119.697 120.400 -0.508 0.000 2.218 101 D HA -0.223 4.417 4.640 -0.000 0.000 0.204 101 D C 1.627 177.707 176.300 -0.367 0.000 0.976 101 D CA 0.889 54.362 54.000 -0.878 0.000 0.853 101 D CB -0.474 40.130 40.800 -0.326 0.000 0.939 101 D HN 0.253 nan 8.370 nan 0.000 0.481 102 K N -0.099 120.254 120.400 -0.077 0.000 2.296 102 K HA 0.001 4.321 4.320 -0.000 0.000 0.200 102 K C 1.693 178.313 176.600 0.033 0.000 1.048 102 K CA -0.042 56.292 56.287 0.077 0.000 0.966 102 K CB -0.738 31.921 32.500 0.265 0.000 0.754 102 K HN 0.222 nan 8.250 nan 0.000 0.466 103 F N 1.157 120.970 119.950 -0.228 0.000 2.293 103 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 103 F C 2.056 177.710 175.800 -0.243 0.000 1.086 103 F CA 0.471 58.219 58.000 -0.421 0.000 1.375 103 F CB -0.161 38.588 39.000 -0.419 0.000 1.045 103 F HN -0.209 nan 8.300 nan 0.000 0.516 104 V N 0.996 120.813 119.914 -0.161 0.000 2.380 104 V HA -0.353 3.767 4.120 -0.000 0.000 0.251 104 V C 2.123 178.060 176.094 -0.261 0.000 1.063 104 V CA 2.614 64.804 62.300 -0.182 0.000 1.055 104 V CB -0.532 31.209 31.823 -0.137 0.000 0.657 104 V HN 0.428 nan 8.190 nan 0.000 0.455 105 N N -0.071 118.489 118.700 -0.233 0.000 2.142 105 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 105 N C 1.783 177.138 175.510 -0.259 0.000 1.023 105 N CA 1.738 54.674 53.050 -0.189 0.000 0.852 105 N CB -0.401 38.027 38.487 -0.098 0.000 0.998 105 N HN 0.467 nan 8.380 nan 0.000 0.424 106 V N 2.125 121.772 119.914 -0.445 0.000 2.332 106 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 106 V C 2.321 178.117 176.094 -0.495 0.000 1.055 106 V CA 1.352 63.327 62.300 -0.542 0.000 1.038 106 V CB -0.442 30.774 31.823 -1.012 0.000 0.651 106 V HN 0.207 nan 8.190 nan 0.000 0.450 107 I N -0.740 119.483 120.570 -0.579 0.000 2.252 107 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 107 I C 2.679 178.644 176.117 -0.255 0.000 1.102 107 I CA 1.124 62.153 61.300 -0.453 0.000 1.385 107 I CB -0.387 37.444 38.000 -0.283 0.000 1.064 107 I HN 0.270 nan 8.210 nan 0.000 0.414 108 Q N 0.551 120.252 119.800 -0.164 0.000 2.119 108 Q HA -0.089 4.251 4.340 -0.000 0.000 0.201 108 Q C 2.276 178.231 176.000 -0.074 0.000 0.972 108 Q CA 1.596 57.352 55.803 -0.078 0.000 0.847 108 Q CB -0.714 27.969 28.738 -0.091 0.000 0.903 108 Q HN 0.567 nan 8.270 nan 0.000 0.433 109 G N 0.966 109.705 108.800 -0.102 0.000 2.625 109 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.214 109 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.214 109 G C 0.899 175.778 174.900 -0.035 0.000 1.132 109 G CA 0.683 45.746 45.100 -0.062 0.000 0.782 109 G HN 0.501 nan 8.290 nan 0.000 0.538 110 Q N -0.890 118.881 119.800 -0.048 0.000 2.084 110 Q HA 0.473 4.813 4.340 -0.000 0.000 0.230 110 Q C 0.029 176.049 176.000 0.032 0.000 0.806 110 Q CA -0.322 55.489 55.803 0.014 0.000 1.083 110 Q CB 0.135 28.902 28.738 0.049 0.000 1.208 110 Q HN 0.256 nan 8.270 nan 0.000 0.462 114 V N 1.559 121.526 119.914 0.088 0.000 2.283 114 V HA 0.121 4.241 4.120 -0.000 0.000 0.243 114 V C 1.092 177.213 176.094 0.044 0.000 1.039 114 V CA 1.626 63.979 62.300 0.089 0.000 1.016 114 V CB 0.200 32.125 31.823 0.171 0.000 0.650 114 V HN 0.785 nan 8.190 nan 0.000 0.449 115 S N -0.479 115.267 115.700 0.076 0.000 2.776 115 S HA 0.524 4.994 4.470 -0.000 0.000 0.284 115 S C -1.114 173.502 174.600 0.025 0.000 1.160 115 S CA -0.480 57.729 58.200 0.015 0.000 1.051 115 S CB 1.452 64.635 63.200 -0.029 0.000 1.037 115 S HN 0.026 nan 8.310 nan 0.000 0.485 116 V N 7.844 127.758 119.914 -0.000 0.000 2.347 116 V HA 0.523 4.643 4.120 -0.000 0.000 0.280 116 V C -1.978 174.105 176.094 -0.019 0.000 1.021 116 V CA -1.860 60.436 62.300 -0.006 0.000 0.847 116 V CB 1.298 33.118 31.823 -0.005 0.000 0.990 116 V HN 0.701 nan 8.190 nan 0.000 0.444 117 P HA 0.112 nan 4.420 nan 0.000 0.270 117 P C -0.060 177.216 177.300 -0.039 0.000 1.223 117 P CA -0.047 63.036 63.100 -0.028 0.000 0.785 117 P CB 0.814 32.496 31.700 -0.029 0.000 0.923 118 V N 2.465 122.358 119.914 -0.036 0.000 2.644 118 V HA -0.080 4.040 4.120 -0.000 0.000 0.305 118 V C 1.307 177.343 176.094 -0.097 0.000 1.053 118 V CA 0.377 62.647 62.300 -0.049 0.000 1.186 118 V CB -0.842 30.974 31.823 -0.012 0.000 0.895 118 V HN 0.631 nan 8.190 nan 0.000 0.490 119 N N 3.702 122.332 118.700 -0.117 0.000 2.458 119 N HA 0.122 4.862 4.740 -0.000 0.000 0.270 119 N C 0.622 175.936 175.510 -0.327 0.000 1.102 119 N CA 0.329 53.281 53.050 -0.163 0.000 0.967 119 N CB 1.606 40.028 38.487 -0.108 0.000 1.078 119 N HN 0.866 nan 8.380 nan 0.000 0.471 120 T N 0.756 115.014 114.554 -0.494 0.000 3.182 120 T HA 0.199 4.549 4.350 -0.000 0.000 0.277 120 T C 0.586 174.865 174.700 -0.701 0.000 1.013 120 T CA -0.535 60.898 62.100 -1.111 0.000 0.900 120 T CB 0.049 68.348 68.868 -0.948 0.000 1.098 120 T HN 0.151 nan 8.240 nan 0.000 0.543 121 L N 2.546 123.589 121.223 -0.300 0.000 2.485 121 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 121 L C 0.246 177.138 176.870 0.036 0.000 1.207 121 L CA -0.337 54.439 54.840 -0.106 0.000 0.855 121 L CB 0.505 42.533 42.059 -0.051 0.000 1.114 121 L HN 0.164 nan 8.230 nan 0.000 0.485 122 V N 4.692 124.656 119.914 0.084 0.000 2.350 122 V HA 0.275 4.395 4.120 -0.000 0.000 0.276 122 V C 0.105 176.262 176.094 0.104 0.000 1.028 122 V CA -0.675 61.728 62.300 0.172 0.000 0.860 122 V CB 1.613 33.529 31.823 0.154 0.000 0.990 122 V HN 0.434 nan 8.190 nan 0.000 0.453 123 V N 5.314 125.294 119.914 0.109 0.000 2.294 123 V HA 0.314 4.434 4.120 -0.000 0.000 0.272 123 V C 0.368 176.494 176.094 0.053 0.000 1.027 123 V CA -0.400 61.942 62.300 0.070 0.000 0.823 123 V CB 1.213 33.077 31.823 0.069 0.000 1.030 123 V HN 1.057 nan 8.190 nan 0.000 0.457 124 D N 1.974 122.398 120.400 0.039 0.000 2.440 124 D HA -0.018 4.622 4.640 -0.000 0.000 0.216 124 D C 1.283 177.593 176.300 0.016 0.000 1.150 124 D CA 0.329 54.343 54.000 0.022 0.000 0.832 124 D CB 0.337 41.149 40.800 0.019 0.000 0.992 124 D HN 0.546 nan 8.370 nan 0.000 0.502 125 T N -1.672 112.895 114.554 0.021 0.000 3.223 125 T HA 0.295 4.645 4.350 -0.000 0.000 0.259 125 T C 0.749 175.461 174.700 0.020 0.000 1.015 125 T CA -0.583 61.528 62.100 0.017 0.000 0.908 125 T CB -0.479 68.400 68.868 0.017 0.000 1.054 125 T HN 0.038 nan 8.240 nan 0.000 0.567 126 L N 2.347 123.584 121.223 0.024 0.000 2.485 126 L HA 0.206 4.546 4.340 -0.000 0.000 0.275 126 L C 1.163 178.045 176.870 0.020 0.000 1.207 126 L CA -0.408 54.449 54.840 0.028 0.000 0.855 126 L CB 0.301 42.380 42.059 0.035 0.000 1.114 126 L HN 0.286 nan 8.230 nan 0.000 0.485 127 S N 3.082 118.797 115.700 0.025 0.000 2.558 127 S HA 0.060 4.530 4.470 -0.000 0.000 0.291 127 S C -1.403 173.205 174.600 0.013 0.000 1.306 127 S CA -0.959 57.252 58.200 0.019 0.000 1.056 127 S CB 0.734 63.949 63.200 0.025 0.000 0.836 127 S HN 0.423 nan 8.310 nan 0.000 0.504 128 P HA -0.020 nan 4.420 nan 0.000 0.223 128 P C 1.292 178.592 177.300 0.001 0.000 1.144 128 P CA 0.855 63.952 63.100 -0.005 0.000 0.783 128 P CB 0.039 31.735 31.700 -0.006 0.000 0.771 129 T N -1.668 112.896 114.554 0.016 0.000 2.985 129 T HA 0.063 4.412 4.350 -0.000 0.000 0.266 129 T C 0.908 175.639 174.700 0.052 0.000 1.076 129 T CA 0.496 62.613 62.100 0.029 0.000 1.135 129 T CB -0.333 68.552 68.868 0.029 0.000 0.890 129 T HN 0.052 nan 8.240 nan 0.000 0.480 130 S N 0.660 116.395 115.700 0.057 0.000 2.576 130 S HA 0.226 4.696 4.470 -0.000 0.000 0.276 130 S C -0.693 173.986 174.600 0.132 0.000 1.339 130 S CA -0.756 57.506 58.200 0.103 0.000 1.039 130 S CB 0.391 63.647 63.200 0.094 0.000 0.902 130 S HN 0.524 nan 8.310 nan 0.000 0.516 131 W N 2.764 124.075 121.300 0.018 0.000 2.251 131 W HA 0.242 4.902 4.660 -0.000 0.000 0.327 131 W C 0.213 176.751 176.519 0.032 0.000 1.361 131 W CA 0.200 57.556 57.345 0.018 0.000 1.234 131 W CB 0.212 29.683 29.460 0.018 0.000 1.212 131 W HN 0.515 nan 8.180 nan 0.000 0.557 132 Q N 4.680 124.155 119.800 -0.542 0.000 2.323 132 Q HA 0.592 4.932 4.340 -0.000 0.000 0.271 132 Q C -0.560 174.917 176.000 -0.872 0.000 1.048 132 Q CA -0.838 54.709 55.803 -0.427 0.000 0.792 132 Q CB 1.822 30.408 28.738 -0.254 0.000 1.280 132 Q HN 0.605 nan 8.270 nan 0.000 0.441 133 A N 1.414 123.932 122.820 -0.504 0.000 2.386 133 A HA 0.269 4.589 4.320 -0.000 0.000 0.248 133 A C 0.790 178.192 177.584 -0.303 0.000 1.082 133 A CA 0.387 52.201 52.037 -0.372 0.000 0.789 133 A CB 0.479 19.606 19.000 0.211 0.000 1.025 133 A HN 0.895 nan 8.150 nan 0.000 0.490 134 S N -0.189 115.364 115.700 -0.246 0.000 2.511 134 S HA 0.207 4.677 4.470 -0.000 0.000 0.214 134 S C 0.709 175.195 174.600 -0.190 0.000 0.997 134 S CA 0.793 58.868 58.200 -0.207 0.000 0.908 134 S CB -0.431 62.667 63.200 -0.170 0.000 0.803 134 S HN 1.449 nan 8.310 nan 0.000 0.504 135 T N -1.616 112.867 114.554 -0.119 0.000 2.864 135 T HA 0.672 5.022 4.350 -0.000 0.000 0.289 135 T C -0.972 173.679 174.700 -0.082 0.000 1.082 135 T CA -0.950 61.070 62.100 -0.133 0.000 1.009 135 T CB 0.630 69.519 68.868 0.035 0.000 1.234 135 T HN 0.088 nan 8.240 nan 0.000 0.526 136 F N 2.603 122.636 119.950 0.139 0.000 2.499 136 F HA 0.406 4.932 4.527 -0.000 0.000 0.353 136 F C 0.250 176.104 175.800 0.090 0.000 1.196 136 F CA -1.344 56.697 58.000 0.068 0.000 1.244 136 F CB -0.219 38.792 39.000 0.019 0.000 1.577 136 F HN 0.536 nan 8.300 nan 0.000 0.614 137 F N -0.124 119.944 119.950 0.196 0.000 2.370 137 F HA 0.643 5.170 4.527 -0.000 0.000 0.319 137 F C -0.215 175.664 175.800 0.133 0.000 1.129 137 F CA -1.529 56.557 58.000 0.142 0.000 1.109 137 F CB 0.052 39.127 39.000 0.124 0.000 1.262 137 F HN -0.166 nan 8.300 nan 0.000 0.534 138 V N 3.987 124.015 119.914 0.190 0.000 2.458 138 V HA 0.180 4.300 4.120 -0.000 0.000 0.287 138 V C 0.278 176.366 176.094 -0.011 0.000 1.009 138 V CA -0.109 62.229 62.300 0.063 0.000 1.091 138 V CB -1.030 30.868 31.823 0.125 0.000 0.960 138 V HN 0.869 nan 8.190 nan 0.000 0.476 139 R N 3.695 124.104 120.500 -0.152 0.000 2.855 139 R HA 0.520 4.860 4.340 -0.000 0.000 0.266 139 R C -0.202 176.067 176.300 -0.052 0.000 1.034 139 R CA -1.032 55.002 56.100 -0.111 0.000 0.944 139 R CB 0.728 30.858 30.300 -0.283 0.000 1.219 139 R HN 0.471 nan 8.270 nan 0.000 0.474 140 N N -0.411 118.280 118.700 -0.014 0.000 2.708 140 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 140 N C 0.782 176.290 175.510 -0.004 0.000 1.097 140 N CA 1.726 54.771 53.050 -0.009 0.000 0.710 140 N CB -1.287 37.188 38.487 -0.020 0.000 1.032 140 N HN 1.127 nan 8.380 nan 0.000 0.551 141 G N -2.241 106.562 108.800 0.005 0.000 2.179 141 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 141 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 141 G C 0.287 175.189 174.900 0.004 0.000 0.977 141 G CA 0.499 45.605 45.100 0.010 0.000 0.641 141 G HN 0.585 nan 8.290 nan 0.000 0.533 142 S N 0.062 115.758 115.700 -0.008 0.000 2.559 142 S HA 0.272 4.742 4.470 -0.000 0.000 0.282 142 S C 0.499 175.095 174.600 -0.006 0.000 1.336 142 S CA 0.483 58.675 58.200 -0.014 0.000 1.037 142 S CB 0.717 63.900 63.200 -0.029 0.000 0.853 142 S HN 0.656 nan 8.310 nan 0.000 0.523 143 N N 2.486 121.176 118.700 -0.017 0.000 2.501 143 N HA 0.339 5.079 4.740 -0.000 0.000 0.245 143 N C -1.835 173.665 175.510 -0.017 0.000 0.974 143 N CA -2.323 50.710 53.050 -0.028 0.000 0.941 143 N CB 1.357 39.802 38.487 -0.070 0.000 1.122 143 N HN 0.163 nan 8.380 nan 0.000 0.507 144 P HA 0.004 nan 4.420 nan 0.000 0.236 144 P C 0.245 177.571 177.300 0.044 0.000 1.177 144 P CA 0.710 63.830 63.100 0.035 0.000 0.773 144 P CB 0.551 32.286 31.700 0.059 0.000 0.878 145 E N -0.208 120.006 120.200 0.024 0.000 2.347 145 E HA -0.089 4.261 4.350 -0.000 0.000 0.196 145 E C 0.798 177.409 176.600 0.018 0.000 1.008 145 E CA 0.586 57.020 56.400 0.056 0.000 0.852 145 E CB -0.072 29.618 29.700 -0.016 0.000 0.783 145 E HN 0.292 nan 8.360 nan 0.000 0.505 146 Q N 2.205 121.984 119.800 -0.034 0.000 2.314 146 Q HA 0.042 4.382 4.340 -0.000 0.000 0.257 146 Q C -0.907 175.101 176.000 0.012 0.000 0.975 146 Q CA -0.262 55.517 55.803 -0.041 0.000 0.933 146 Q CB 0.797 29.499 28.738 -0.060 0.000 1.195 146 Q HN -0.190 nan 8.270 nan 0.000 0.426 147 D N 6.050 126.475 120.400 0.042 0.000 2.358 147 D HA 0.056 4.696 4.640 -0.000 0.000 0.258 147 D C -1.669 174.646 176.300 0.026 0.000 1.223 147 D CA -1.847 52.179 54.000 0.043 0.000 0.886 147 D CB 1.282 42.120 40.800 0.064 0.000 1.120 147 D HN 0.425 nan 8.370 nan 0.000 0.482 148 P HA -0.091 nan 4.420 nan 0.000 0.222 148 P C 1.221 178.523 177.300 0.002 0.000 1.147 148 P CA 0.710 63.809 63.100 -0.003 0.000 0.790 148 P CB 0.298 31.985 31.700 -0.021 0.000 0.780 149 L N -1.281 119.947 121.223 0.009 0.000 2.592 149 L HA 0.189 4.529 4.340 -0.000 0.000 0.227 149 L C 1.579 178.459 176.870 0.017 0.000 1.127 149 L CA 0.238 55.084 54.840 0.009 0.000 0.884 149 L CB -0.207 41.855 42.059 0.004 0.000 1.065 149 L HN -0.165 nan 8.230 nan 0.000 0.457 150 R N -0.285 120.234 120.500 0.032 0.000 2.661 150 R HA 0.198 4.538 4.340 -0.000 0.000 0.429 150 R C -0.370 175.981 176.300 0.086 0.000 1.044 150 R CA -0.257 55.873 56.100 0.050 0.000 1.065 150 R CB 0.390 30.722 30.300 0.054 0.000 1.377 150 R HN 0.061 nan 8.270 nan 0.000 0.600 151 N N 0.571 119.298 118.700 0.045 0.000 2.459 151 N HA 0.359 5.099 4.740 -0.000 0.000 0.288 151 N C -0.710 174.710 175.510 -0.149 0.000 1.186 151 N CA -0.531 52.528 53.050 0.014 0.000 0.917 151 N CB 1.175 39.666 38.487 0.007 0.000 1.219 151 N HN 0.073 nan 8.380 nan 0.000 0.525 152 L N 2.125 123.108 121.223 -0.400 0.000 2.504 152 L HA 0.213 4.553 4.340 -0.000 0.000 0.249 152 L C 1.292 177.955 176.870 -0.345 0.000 1.120 152 L CA -0.262 54.198 54.840 -0.634 0.000 0.997 152 L CB 0.500 41.732 42.059 -1.377 0.000 1.349 152 L HN 0.649 nan 8.230 nan 0.000 0.439 153 S N -0.566 115.034 115.700 -0.165 0.000 2.423 153 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 153 S C 1.812 176.373 174.600 -0.066 0.000 1.014 153 S CA 0.838 58.995 58.200 -0.072 0.000 0.965 153 S CB -0.114 63.062 63.200 -0.040 0.000 0.785 153 S HN 0.627 nan 8.310 nan 0.000 0.495 154 G N 0.529 109.270 108.800 -0.098 0.000 2.650 154 G HA2 0.029 3.989 3.960 -0.000 0.000 0.214 154 G HA3 0.029 3.989 3.960 -0.000 0.000 0.214 154 G C 0.562 175.411 174.900 -0.085 0.000 1.136 154 G CA -0.096 44.959 45.100 -0.075 0.000 0.789 154 G HN 0.548 nan 8.290 nan 0.000 0.536 155 Q N 0.830 120.550 119.800 -0.132 0.000 2.337 155 Q HA 0.544 4.884 4.340 -0.000 0.000 0.270 155 Q C -0.219 175.788 176.000 0.012 0.000 1.002 155 Q CA 0.291 56.036 55.803 -0.096 0.000 0.888 155 Q CB 0.937 29.539 28.738 -0.227 0.000 1.222 155 Q HN 0.280 nan 8.270 nan 0.000 0.400 156 A N 2.988 125.825 122.820 0.027 0.000 2.594 156 A HA 0.781 5.101 4.320 -0.000 0.000 0.291 156 A C -1.336 176.293 177.584 0.075 0.000 1.105 156 A CA -0.167 51.903 52.037 0.055 0.000 0.694 156 A CB 1.246 20.271 19.000 0.041 0.000 1.291 156 A HN 1.024 nan 8.150 nan 0.000 0.410 157 V N -2.229 117.746 119.914 0.101 0.000 3.001 157 V HA 0.952 5.072 4.120 -0.000 0.000 0.314 157 V C -0.523 175.661 176.094 0.150 0.000 1.099 157 V CA -0.479 61.902 62.300 0.135 0.000 0.989 157 V CB 1.683 33.615 31.823 0.182 0.000 1.040 157 V HN 0.893 nan 8.190 nan 0.000 0.434 158 T N 2.678 117.326 114.554 0.155 0.000 2.840 158 T HA 0.556 4.906 4.350 -0.000 0.000 0.287 158 T C -0.363 174.402 174.700 0.109 0.000 0.991 158 T CA -0.430 61.757 62.100 0.144 0.000 0.964 158 T CB 1.022 70.002 68.868 0.187 0.000 0.954 158 T HN 0.774 nan 8.240 nan 0.000 0.438 159 R N 2.735 123.289 120.500 0.089 0.000 2.423 159 R HA 0.598 4.938 4.340 -0.000 0.000 0.293 159 R C -0.666 175.666 176.300 0.054 0.000 1.196 159 R CA -0.579 55.549 56.100 0.046 0.000 1.262 159 R CB 0.624 30.931 30.300 0.012 0.000 1.116 159 R HN 0.501 nan 8.270 nan 0.000 0.566 160 V N -1.778 118.167 119.914 0.051 0.000 3.147 160 V HA 0.398 4.518 4.120 -0.000 0.000 0.299 160 V C -0.095 176.027 176.094 0.046 0.000 1.302 160 V CA -1.195 61.138 62.300 0.055 0.000 1.015 160 V CB 1.871 33.734 31.823 0.067 0.000 1.086 160 V HN 0.121 nan 8.190 nan 0.000 0.437 161 V N 3.454 123.397 119.914 0.049 0.000 2.540 161 V HA 0.507 4.627 4.120 -0.000 0.000 0.297 161 V C 1.704 177.826 176.094 0.046 0.000 1.024 161 V CA 1.978 64.307 62.300 0.049 0.000 1.105 161 V CB 0.111 31.965 31.823 0.051 0.000 0.938 161 V HN 2.111 nan 8.190 nan 0.000 0.482 162 G N 3.400 112.223 108.800 0.038 0.000 2.194 162 G HA2 0.030 3.990 3.960 -0.000 0.000 0.236 162 G HA3 0.030 3.990 3.960 -0.000 0.000 0.236 162 G C 0.874 175.761 174.900 -0.021 0.000 0.987 162 G CA 0.029 45.142 45.100 0.022 0.000 0.635 162 G HN 2.175 nan 8.290 nan 0.000 0.520 166 T N 0.487 114.945 114.554 -0.160 0.000 3.085 166 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 166 T C 1.376 175.921 174.700 -0.259 0.000 1.127 166 T CA 1.231 63.254 62.100 -0.129 0.000 1.103 166 T CB -0.854 68.019 68.868 0.007 0.000 0.921 166 T HN 0.875 nan 8.240 nan 0.000 0.510 167 H N -1.848 117.167 119.070 -0.090 0.000 3.535 167 H HA 0.204 4.760 4.556 -0.000 0.000 0.260 167 H C 0.658 176.196 175.328 0.350 0.000 1.173 167 H CA -1.021 55.102 56.048 0.125 0.000 1.168 167 H CB -0.393 29.445 29.762 0.126 0.000 1.568 167 H HN 0.502 nan 8.280 nan 0.000 0.602 168 W N 2.814 124.081 121.300 -0.054 0.000 2.042 168 W HA 0.239 4.899 4.660 -0.000 0.000 0.358 168 W C 0.007 176.639 176.519 0.187 0.000 1.325 168 W CA -0.055 57.359 57.345 0.114 0.000 1.311 168 W CB -0.178 29.274 29.460 -0.013 0.000 1.210 168 W HN -0.183 nan 8.180 nan 0.000 0.620 169 T N 0.976 115.521 114.554 -0.016 0.000 3.088 169 T HA -0.016 4.334 4.350 -0.000 0.000 0.259 169 T C 1.103 175.367 174.700 -0.727 0.000 1.122 169 T CA 1.218 63.126 62.100 -0.320 0.000 1.095 169 T CB -0.514 68.332 68.868 -0.036 0.000 0.930 169 T HN 0.669 nan 8.240 nan 0.000 0.508 170 C N 0.785 119.241 119.300 -1.406 0.000 4.741 170 C HA -0.120 4.340 4.460 -0.000 0.000 0.252 170 C C 1.162 175.635 174.990 -0.861 0.000 1.314 170 C CA -0.794 57.142 59.018 -1.803 0.000 1.567 170 C CB -2.634 24.570 27.740 -0.895 0.000 1.662 170 C HN 0.775 nan 8.230 nan 0.000 0.684 171 A N 1.254 123.794 122.820 -0.468 0.000 2.444 171 A HA 0.509 4.829 4.320 -0.000 0.000 0.273 171 A C 0.819 178.328 177.584 -0.125 0.000 1.136 171 A CA 1.267 53.186 52.037 -0.196 0.000 0.799 171 A CB 0.104 19.053 19.000 -0.086 0.000 1.081 171 A HN 1.345 nan 8.150 nan 0.000 0.509 172 T N 1.775 116.266 114.554 -0.104 0.000 3.466 172 T HA 0.505 4.855 4.350 -0.000 0.000 0.297 172 T C -2.680 171.964 174.700 -0.093 0.000 1.640 172 T CA -1.487 60.587 62.100 -0.044 0.000 1.631 172 T CB 0.492 69.371 68.868 0.017 0.000 0.928 172 T HN 0.459 nan 8.240 nan 0.000 0.688 173 P HA 0.373 nan 4.420 nan 0.000 0.276 173 P C -0.145 176.993 177.300 -0.270 0.000 1.244 173 P CA -0.650 62.346 63.100 -0.173 0.000 0.801 173 P CB 1.118 32.712 31.700 -0.176 0.000 1.006 174 R N 0.751 121.020 120.500 -0.386 0.000 2.582 174 R HA 0.365 4.705 4.340 -0.000 0.000 0.271 174 R C 0.038 176.209 176.300 -0.214 0.000 1.078 174 R CA -0.394 55.283 56.100 -0.706 0.000 1.127 174 R CB 0.165 29.963 30.300 -0.836 0.000 1.038 174 R HN 0.381 nan 8.270 nan 0.000 0.500 175 F N 2.033 121.762 119.950 -0.370 0.000 2.412 175 F HA 0.054 4.581 4.527 -0.000 0.000 0.348 175 F C 0.976 176.603 175.800 -0.289 0.000 1.102 175 F CA -1.549 56.258 58.000 -0.322 0.000 1.196 175 F CB 0.292 39.082 39.000 -0.350 0.000 1.144 175 F HN 0.538 nan 8.300 nan 0.000 0.541 176 D N 2.414 122.755 120.400 -0.100 0.000 2.411 176 D HA 0.134 4.774 4.640 -0.000 0.000 0.251 176 D C 1.125 177.343 176.300 -0.137 0.000 1.201 176 D CA -0.458 53.480 54.000 -0.103 0.000 0.996 176 D CB 0.567 41.322 40.800 -0.076 0.000 1.101 176 D HN 0.435 nan 8.370 nan 0.000 0.504 177 R N -0.229 120.217 120.500 -0.089 0.000 2.159 177 R HA -0.280 4.060 4.340 -0.000 0.000 0.252 177 R C 1.951 178.198 176.300 -0.087 0.000 1.144 177 R CA 2.380 58.437 56.100 -0.072 0.000 0.961 177 R CB -0.483 29.809 30.300 -0.014 0.000 0.877 177 R HN 0.734 nan 8.270 nan 0.000 0.444 178 E N 0.785 120.927 120.200 -0.096 0.000 2.268 178 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 178 E C 1.429 177.914 176.600 -0.192 0.000 0.995 178 E CA 1.179 57.528 56.400 -0.086 0.000 0.836 178 E CB 0.173 29.877 29.700 0.007 0.000 0.763 178 E HN 0.407 nan 8.360 nan 0.000 0.491 179 Q N -0.488 119.102 119.800 -0.351 0.000 2.319 179 Q HA 0.174 4.514 4.340 -0.000 0.000 0.202 179 Q C 0.183 176.059 176.000 -0.207 0.000 0.896 179 Q CA -0.128 55.408 55.803 -0.446 0.000 0.942 179 Q CB 0.640 28.840 28.738 -0.897 0.000 1.083 179 Q HN -0.020 nan 8.270 nan 0.000 0.510 180 R N 2.079 122.495 120.500 -0.139 0.000 2.445 180 R HA 0.311 4.651 4.340 -0.000 0.000 0.308 180 R C -2.568 173.695 176.300 -0.061 0.000 0.961 180 R CA -2.153 53.856 56.100 -0.152 0.000 0.862 180 R CB 1.152 31.192 30.300 -0.434 0.000 1.144 180 R HN -0.111 nan 8.270 nan 0.000 0.447 181 P HA -0.013 nan 4.420 nan 0.000 0.269 181 P C -0.672 176.800 177.300 0.288 0.000 1.209 181 P CA -0.460 62.723 63.100 0.138 0.000 0.776 181 P CB 0.546 32.334 31.700 0.145 0.000 0.876 182 L N 2.838 124.200 121.223 0.231 0.000 2.455 182 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 182 L C 1.571 178.613 176.870 0.287 0.000 1.174 182 L CA 0.461 55.505 54.840 0.339 0.000 0.869 182 L CB -0.507 41.804 42.059 0.420 0.000 1.130 182 L HN 0.417 nan 8.230 nan 0.000 0.474 183 L N 3.533 124.938 121.223 0.303 0.000 2.515 183 L HA 0.212 4.552 4.340 -0.000 0.000 0.223 183 L C -0.122 176.902 176.870 0.258 0.000 1.079 183 L CA 0.212 55.108 54.840 0.095 0.000 0.857 183 L CB 0.458 42.340 42.059 -0.295 0.000 1.050 183 L HN 0.290 nan 8.230 nan 0.000 0.476 184 V N 0.374 120.453 119.914 0.275 0.000 2.525 184 V HA 0.236 4.356 4.120 -0.000 0.000 0.299 184 V C -0.222 175.950 176.094 0.130 0.000 1.034 184 V CA -1.046 61.355 62.300 0.169 0.000 0.863 184 V CB 1.971 33.839 31.823 0.076 0.000 0.999 184 V HN 0.044 nan 8.190 nan 0.000 0.423 185 K N 3.025 123.367 120.400 -0.097 0.000 2.401 185 K HA 0.169 4.489 4.320 -0.000 0.000 0.278 185 K C 0.423 176.983 176.600 -0.067 0.000 1.018 185 K CA 0.287 56.464 56.287 -0.183 0.000 0.981 185 K CB 0.169 32.391 32.500 -0.463 0.000 0.933 185 K HN 0.814 nan 8.250 nan 0.000 0.477 186 D N 1.753 122.140 120.400 -0.022 0.000 2.882 186 D HA -0.216 4.424 4.640 -0.000 0.000 0.229 186 D C -0.637 175.668 176.300 0.008 0.000 1.167 186 D CA 1.110 55.106 54.000 -0.007 0.000 0.759 186 D CB -0.497 40.287 40.800 -0.028 0.000 1.088 186 D HN 0.558 nan 8.370 nan 0.000 0.425 187 D N -1.047 119.369 120.400 0.026 0.000 2.668 187 D HA 0.417 5.057 4.640 -0.000 0.000 0.247 187 D C 0.998 177.330 176.300 0.054 0.000 1.268 187 D CA 0.197 54.216 54.000 0.031 0.000 0.842 187 D CB 0.491 41.302 40.800 0.019 0.000 1.399 187 D HN 0.007 nan 8.370 nan 0.000 0.530 188 A N 1.964 124.819 122.820 0.058 0.000 1.948 188 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 188 A C 1.675 179.306 177.584 0.078 0.000 1.177 188 A CA 1.571 53.653 52.037 0.074 0.000 0.636 188 A CB -0.042 18.995 19.000 0.062 0.000 0.815 188 A HN 0.412 nan 8.150 nan 0.000 0.449 189 D N -0.312 120.124 120.400 0.059 0.000 2.149 189 D HA 0.040 4.680 4.640 -0.000 0.000 0.201 189 D C 2.240 178.575 176.300 0.059 0.000 0.972 189 D CA 1.375 55.409 54.000 0.057 0.000 0.835 189 D CB -0.398 40.426 40.800 0.041 0.000 0.966 189 D HN 0.424 nan 8.370 nan 0.000 0.476 190 A N 0.706 123.555 122.820 0.050 0.000 1.898 190 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 190 A C 1.955 179.571 177.584 0.053 0.000 1.181 190 A CA 1.934 53.994 52.037 0.039 0.000 0.620 190 A CB -0.643 18.372 19.000 0.025 0.000 0.819 190 A HN 0.173 nan 8.150 nan 0.000 0.442 191 D N -0.201 120.254 120.400 0.092 0.000 2.104 191 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 191 D C 1.309 177.744 176.300 0.224 0.000 0.994 191 D CA 1.709 55.804 54.000 0.157 0.000 0.830 191 D CB -0.123 40.809 40.800 0.221 0.000 0.959 191 D HN 0.358 nan 8.370 nan 0.000 0.452 192 D N -0.378 120.139 120.400 0.195 0.000 2.097 192 D HA -0.108 4.532 4.640 -0.000 0.000 0.195 192 D C 2.008 178.407 176.300 0.166 0.000 0.989 192 D CA 1.510 55.632 54.000 0.204 0.000 0.827 192 D CB -0.637 40.242 40.800 0.132 0.000 0.966 192 D HN 0.314 nan 8.370 nan 0.000 0.456 193 A N 0.638 123.515 122.820 0.095 0.000 1.902 193 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 193 A C 2.145 179.743 177.584 0.024 0.000 1.181 193 A CA 2.020 54.091 52.037 0.056 0.000 0.623 193 A CB -0.593 18.425 19.000 0.030 0.000 0.818 193 A HN 0.199 nan 8.150 nan 0.000 0.443 194 E N -0.945 119.242 120.200 -0.022 0.000 2.077 194 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 194 E C 1.688 178.155 176.600 -0.221 0.000 0.989 194 E CA 1.557 57.867 56.400 -0.150 0.000 0.800 194 E CB -0.434 29.130 29.700 -0.227 0.000 0.746 194 E HN 0.734 nan 8.360 nan 0.000 0.452 195 W N 0.625 121.875 121.300 -0.083 0.000 2.358 195 W HA -0.109 4.551 4.660 -0.000 0.000 0.303 195 W C 2.192 178.673 176.519 -0.063 0.000 1.208 195 W CA 1.170 58.416 57.345 -0.166 0.000 1.274 195 W CB -0.367 29.041 29.460 -0.086 0.000 1.138 195 W HN 0.210 nan 8.180 nan 0.000 0.515 196 D N -0.063 120.493 120.400 0.260 0.000 2.117 196 D HA -0.210 4.430 4.640 -0.000 0.000 0.197 196 D C 2.147 178.510 176.300 0.105 0.000 0.987 196 D CA 1.378 55.503 54.000 0.210 0.000 0.829 196 D CB -0.215 40.671 40.800 0.143 0.000 0.961 196 D HN -0.035 nan 8.370 nan 0.000 0.460 197 R N -0.288 120.224 120.500 0.020 0.000 2.081 197 R HA -0.077 4.262 4.340 -0.000 0.000 0.235 197 R C 2.406 178.659 176.300 -0.078 0.000 1.131 197 R CA 1.023 57.102 56.100 -0.036 0.000 0.960 197 R CB -0.261 29.999 30.300 -0.067 0.000 0.856 197 R HN 0.258 nan 8.270 nan 0.000 0.436 198 L N -0.584 120.555 121.223 -0.140 0.000 2.072 198 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 198 L C 2.311 179.113 176.870 -0.113 0.000 1.079 198 L CA 0.938 55.649 54.840 -0.216 0.000 0.752 198 L CB -0.577 41.247 42.059 -0.391 0.000 0.906 198 L HN 0.178 nan 8.230 nan 0.000 0.436 199 Y N 0.625 120.921 120.300 -0.006 0.000 2.181 199 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 199 Y C 2.901 178.772 175.900 -0.048 0.000 1.146 199 Y CA 1.493 59.595 58.100 0.002 0.000 1.164 199 Y CB -1.153 37.339 38.460 0.053 0.000 0.982 199 Y HN 0.128 nan 8.280 nan 0.000 0.515 200 T N -0.243 114.379 114.554 0.114 0.000 2.684 200 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 200 T C 1.982 176.645 174.700 -0.061 0.000 1.036 200 T CA 1.869 63.986 62.100 0.028 0.000 1.148 200 T CB -0.211 68.666 68.868 0.015 0.000 0.863 200 T HN 0.201 nan 8.240 nan 0.000 0.436 201 K N 0.761 121.067 120.400 -0.156 0.000 2.009 201 K HA -0.019 4.301 4.320 -0.000 0.000 0.210 201 K C 2.608 178.867 176.600 -0.569 0.000 1.049 201 K CA 1.261 57.319 56.287 -0.382 0.000 0.929 201 K CB -0.382 31.852 32.500 -0.442 0.000 0.714 201 K HN 0.281 nan 8.250 nan 0.000 0.440 202 A N 1.340 123.944 122.820 -0.360 0.000 1.883 202 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 202 A C 1.913 179.495 177.584 -0.003 0.000 1.186 202 A CA 1.932 53.833 52.037 -0.227 0.000 0.624 202 A CB -0.565 18.414 19.000 -0.035 0.000 0.822 202 A HN 0.371 nan 8.150 nan 0.000 0.444 203 E N -0.678 119.560 120.200 0.064 0.000 2.085 203 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 203 E C 2.300 178.982 176.600 0.136 0.000 0.994 203 E CA 1.239 57.721 56.400 0.136 0.000 0.801 203 E CB -0.209 29.541 29.700 0.084 0.000 0.743 203 E HN 0.592 nan 8.360 nan 0.000 0.453 204 S N -0.430 115.302 115.700 0.054 0.000 2.359 204 S HA -0.183 4.287 4.470 -0.000 0.000 0.224 204 S C 1.832 176.582 174.600 0.249 0.000 1.035 204 S CA 1.086 59.347 58.200 0.102 0.000 1.018 204 S CB -0.226 63.000 63.200 0.043 0.000 0.876 204 S HN 0.279 nan 8.310 nan 0.000 0.448 205 Y N 0.170 120.496 120.300 0.044 0.000 2.181 205 Y HA 0.044 4.594 4.550 -0.000 0.000 0.288 205 Y C 2.097 178.056 175.900 0.099 0.000 1.146 205 Y CA 0.244 58.346 58.100 0.005 0.000 1.164 205 Y CB -1.187 37.200 38.460 -0.122 0.000 0.982 205 Y HN 0.389 nan 8.280 nan 0.000 0.515 206 F N 0.230 120.329 119.950 0.248 0.000 2.710 206 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 206 F C 0.561 176.466 175.800 0.176 0.000 1.137 206 F CA 0.086 58.220 58.000 0.222 0.000 1.444 206 F CB 0.258 39.400 39.000 0.237 0.000 1.111 206 F HN -0.029 nan 8.300 nan 0.000 0.580 207 Q N 1.003 120.995 119.800 0.320 0.000 2.463 207 Q HA -0.175 4.165 4.340 -0.000 0.000 0.299 207 Q C -0.122 175.957 176.000 0.131 0.000 1.353 207 Q CA 0.728 56.639 55.803 0.180 0.000 0.828 207 Q CB -2.560 26.259 28.738 0.135 0.000 1.157 207 Q HN 0.185 nan 8.270 nan 0.000 0.436 208 T N 0.070 114.714 114.554 0.151 0.000 2.916 208 T HA 0.447 4.797 4.350 -0.000 0.000 0.303 208 T C 0.790 175.514 174.700 0.040 0.000 1.025 208 T CA 0.554 62.702 62.100 0.081 0.000 1.142 208 T CB 1.315 70.241 68.868 0.097 0.000 0.947 208 T HN 0.492 nan 8.240 nan 0.000 0.544 209 G N 0.692 109.499 108.800 0.012 0.000 2.695 209 G HA2 0.560 4.520 3.960 -0.000 0.000 0.290 209 G HA3 0.560 4.520 3.960 -0.000 0.000 0.290 209 G C 0.061 174.966 174.900 0.008 0.000 1.410 209 G CA -0.644 44.457 45.100 0.002 0.000 0.844 209 G HN 0.620 nan 8.290 nan 0.000 0.478 210 T N -2.841 111.721 114.554 0.014 0.000 3.288 210 T HA 0.317 4.667 4.350 -0.000 0.000 0.293 210 T C -0.261 174.464 174.700 0.042 0.000 1.008 210 T CA -0.082 62.040 62.100 0.036 0.000 0.929 210 T CB 0.794 69.686 68.868 0.041 0.000 1.152 210 T HN 0.255 nan 8.240 nan 0.000 0.517 211 D N 0.850 121.254 120.400 0.006 0.000 2.500 211 D HA 0.179 4.819 4.640 -0.000 0.000 0.217 211 D C 1.628 177.872 176.300 -0.094 0.000 1.159 211 D CA 0.200 54.186 54.000 -0.023 0.000 0.828 211 D CB 0.589 41.366 40.800 -0.039 0.000 1.039 211 D HN 0.255 nan 8.370 nan 0.000 0.512 212 Q N -0.825 118.909 119.800 -0.109 0.000 2.437 212 Q HA 0.073 4.413 4.340 -0.000 0.000 0.210 212 Q C 0.474 176.093 176.000 -0.635 0.000 0.972 212 Q CA 0.842 56.441 55.803 -0.341 0.000 0.903 212 Q CB -0.011 28.500 28.738 -0.379 0.000 0.967 212 Q HN 0.241 nan 8.270 nan 0.000 0.486 213 F N -0.192 119.589 119.950 -0.281 0.000 2.698 213 F HA 0.223 4.750 4.527 -0.000 0.000 0.304 213 F C 1.268 176.880 175.800 -0.315 0.000 1.108 213 F CA -0.549 57.232 58.000 -0.365 0.000 1.263 213 F CB 0.399 39.066 39.000 -0.555 0.000 1.013 213 F HN -0.007 nan 8.300 nan 0.000 0.532 214 K N 0.379 120.707 120.400 -0.120 0.000 2.209 214 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 214 K C 0.793 177.317 176.600 -0.128 0.000 1.048 214 K CA 1.665 57.938 56.287 -0.024 0.000 0.940 214 K CB -0.170 32.305 32.500 -0.041 0.000 0.729 214 K HN 0.322 nan 8.250 nan 0.000 0.451 215 E N 1.633 121.604 120.200 -0.381 0.000 2.437 215 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 215 E C -0.758 175.657 176.600 -0.309 0.000 1.029 215 E CA -0.344 55.555 56.400 -0.835 0.000 0.948 215 E CB 0.862 29.963 29.700 -0.999 0.000 1.082 215 E HN 0.230 nan 8.360 nan 0.000 0.456 216 S N 0.945 116.644 115.700 -0.002 0.000 2.489 216 S HA 0.103 4.572 4.470 -0.000 0.000 0.277 216 S C 1.107 175.808 174.600 0.169 0.000 1.230 216 S CA -0.558 57.705 58.200 0.105 0.000 1.053 216 S CB 0.637 63.956 63.200 0.199 0.000 0.955 216 S HN 0.390 nan 8.310 nan 0.000 0.488 217 I N 5.036 125.579 120.570 -0.044 0.000 2.315 217 I HA -0.008 4.162 4.170 -0.000 0.000 0.248 217 I C 2.229 178.194 176.117 -0.253 0.000 1.117 217 I CA 1.029 62.053 61.300 -0.461 0.000 1.404 217 I CB -0.223 37.089 38.000 -1.147 0.000 1.071 217 I HN 0.656 nan 8.210 nan 0.000 0.419 218 R N -0.209 120.234 120.500 -0.094 0.000 2.083 218 R HA -0.231 4.109 4.340 -0.000 0.000 0.237 218 R C 2.466 178.811 176.300 0.075 0.000 1.137 218 R CA 2.095 58.187 56.100 -0.014 0.000 0.951 218 R CB -0.942 29.362 30.300 0.005 0.000 0.851 218 R HN 0.592 nan 8.270 nan 0.000 0.434 219 H N 0.897 119.993 119.070 0.042 0.000 2.321 219 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 219 H C 1.807 177.210 175.328 0.124 0.000 1.087 219 H CA 1.802 57.892 56.048 0.070 0.000 1.319 219 H CB -0.038 29.793 29.762 0.115 0.000 1.379 219 H HN 0.128 nan 8.280 nan 0.000 0.501 220 N N 0.100 118.945 118.700 0.241 0.000 2.270 220 N HA -0.120 4.620 4.740 -0.000 0.000 0.181 220 N C 2.012 177.676 175.510 0.256 0.000 1.016 220 N CA 0.963 54.184 53.050 0.285 0.000 0.870 220 N CB -0.167 38.685 38.487 0.608 0.000 0.979 220 N HN 0.325 nan 8.380 nan 0.000 0.431 221 L N 1.297 122.681 121.223 0.268 0.000 1.989 221 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 221 L C 2.143 179.068 176.870 0.093 0.000 1.071 221 L CA 1.421 56.407 54.840 0.243 0.000 0.749 221 L CB -0.590 41.572 42.059 0.170 0.000 0.890 221 L HN -0.132 nan 8.230 nan 0.000 0.431 222 V N -0.684 119.241 119.914 0.017 0.000 2.270 222 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 222 V C 2.411 178.437 176.094 -0.113 0.000 1.043 222 V CA 1.505 63.781 62.300 -0.040 0.000 1.014 222 V CB -0.815 30.959 31.823 -0.081 0.000 0.645 222 V HN 0.492 nan 8.190 nan 0.000 0.447 223 L N 1.596 122.720 121.223 -0.166 0.000 1.990 223 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 223 L C 2.214 179.014 176.870 -0.116 0.000 1.072 223 L CA 2.762 57.489 54.840 -0.189 0.000 0.755 223 L CB -1.751 40.141 42.059 -0.278 0.000 0.889 223 L HN 0.553 nan 8.230 nan 0.000 0.432 224 N N -0.400 118.282 118.700 -0.030 0.000 2.104 224 N HA -0.280 4.460 4.740 -0.000 0.000 0.190 224 N C 1.901 177.393 175.510 -0.029 0.000 1.024 224 N CA 1.785 54.836 53.050 0.001 0.000 0.853 224 N CB -0.201 38.313 38.487 0.046 0.000 1.008 224 N HN 0.309 nan 8.380 nan 0.000 0.424 225 K N 0.476 120.856 120.400 -0.033 0.000 2.026 225 K HA 0.002 4.322 4.320 -0.000 0.000 0.208 225 K C 1.911 178.462 176.600 -0.083 0.000 1.048 225 K CA 1.327 57.594 56.287 -0.034 0.000 0.929 225 K CB -0.510 31.989 32.500 -0.002 0.000 0.713 225 K HN 0.308 nan 8.250 nan 0.000 0.439 226 L N -0.044 121.054 121.223 -0.208 0.000 2.056 226 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 226 L C 2.507 179.169 176.870 -0.347 0.000 1.078 226 L CA 1.180 55.772 54.840 -0.414 0.000 0.749 226 L CB -0.734 40.678 42.059 -1.078 0.000 0.901 226 L HN 0.280 nan 8.230 nan 0.000 0.433 227 A N -0.036 122.629 122.820 -0.257 0.000 1.908 227 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 227 A C 2.310 179.950 177.584 0.095 0.000 1.181 227 A CA 2.119 54.198 52.037 0.070 0.000 0.627 227 A CB -0.568 18.491 19.000 0.099 0.000 0.818 227 A HN 0.519 nan 8.150 nan 0.000 0.445 228 E N -0.553 119.661 120.200 0.024 0.000 2.072 228 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 228 E C 1.711 178.313 176.600 0.003 0.000 0.985 228 E CA 1.147 57.556 56.400 0.015 0.000 0.801 228 E CB -0.119 29.575 29.700 -0.010 0.000 0.750 228 E HN 0.561 nan 8.360 nan 0.000 0.452 229 E N -0.274 119.915 120.200 -0.019 0.000 2.150 229 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 229 E C 0.930 177.398 176.600 -0.219 0.000 0.985 229 E CA 0.921 57.243 56.400 -0.130 0.000 0.814 229 E CB -0.068 29.523 29.700 -0.182 0.000 0.752 229 E HN 0.471 nan 8.360 nan 0.000 0.466 230 Y N 0.517 120.860 120.300 0.072 0.000 2.658 230 Y HA 0.190 4.740 4.550 -0.000 0.000 0.276 230 Y C 0.575 176.543 175.900 0.113 0.000 1.167 230 Y CA -0.436 57.743 58.100 0.132 0.000 1.230 230 Y CB 0.319 38.958 38.460 0.299 0.000 1.144 230 Y HN -0.272 nan 8.280 nan 0.000 0.529 231 K N 0.772 121.269 120.400 0.163 0.000 2.473 231 K HA 0.019 4.339 4.320 -0.000 0.000 0.277 231 K C 1.250 177.908 176.600 0.096 0.000 1.052 231 K CA 1.415 57.771 56.287 0.115 0.000 1.114 231 K CB -0.190 32.346 32.500 0.060 0.000 0.869 231 K HN 0.684 nan 8.250 nan 0.000 0.481 232 G N 3.134 111.992 108.800 0.096 0.000 2.179 232 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 232 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 232 G C 0.667 175.618 174.900 0.085 0.000 0.977 232 G CA 0.750 45.895 45.100 0.074 0.000 0.641 232 G HN 0.721 nan 8.290 nan 0.000 0.533 233 Q N -1.144 118.731 119.800 0.125 0.000 2.619 233 Q HA 0.284 4.624 4.340 -0.000 0.000 0.230 233 Q C 1.232 177.293 176.000 0.101 0.000 0.871 233 Q CA 0.212 56.094 55.803 0.131 0.000 0.934 233 Q CB 0.727 29.577 28.738 0.187 0.000 1.183 233 Q HN 0.485 nan 8.270 nan 0.000 0.631 234 R N 0.714 121.286 120.500 0.120 0.000 2.795 234 R HA 0.412 4.752 4.340 -0.000 0.000 0.275 234 R C -1.428 174.862 176.300 -0.016 0.000 0.981 234 R CA -0.712 55.342 56.100 -0.076 0.000 0.917 234 R CB 1.604 31.628 30.300 -0.460 0.000 1.202 234 R HN 0.005 nan 8.270 nan 0.000 0.469 235 D N 1.607 121.921 120.400 -0.144 0.000 2.192 235 D HA 0.363 5.003 4.640 -0.000 0.000 0.246 235 D C -0.707 175.425 176.300 -0.281 0.000 1.042 235 D CA -0.016 53.949 54.000 -0.060 0.000 0.847 235 D CB 1.325 42.113 40.800 -0.020 0.000 1.186 235 D HN 0.149 nan 8.370 nan 0.000 0.461 236 F N 0.942 120.896 119.950 0.006 0.000 2.492 236 F HA 0.364 4.891 4.527 -0.000 0.000 0.327 236 F C 0.756 176.564 175.800 0.013 0.000 1.079 236 F CA -0.574 57.421 58.000 -0.008 0.000 0.967 236 F CB 1.750 40.741 39.000 -0.015 0.000 1.169 236 F HN 0.217 nan 8.300 nan 0.000 0.472 237 Q N 0.167 120.067 119.800 0.167 0.000 2.707 237 Q HA 0.336 4.676 4.340 -0.000 0.000 0.307 237 Q C -1.546 174.552 176.000 0.164 0.000 0.934 237 Q CA -1.294 54.593 55.803 0.141 0.000 0.753 237 Q CB 1.697 30.488 28.738 0.090 0.000 1.478 237 Q HN 0.609 nan 8.270 nan 0.000 0.458 238 Q N 0.981 120.905 119.800 0.206 0.000 2.337 238 Q HA 0.226 4.566 4.340 -0.000 0.000 0.270 238 Q C -0.523 175.549 176.000 0.119 0.000 1.002 238 Q CA -0.193 55.754 55.803 0.241 0.000 0.888 238 Q CB 0.488 29.348 28.738 0.204 0.000 1.222 238 Q HN 0.558 nan 8.270 nan 0.000 0.400 239 I N 6.934 127.553 120.570 0.082 0.000 2.821 239 I HA -0.088 4.082 4.170 -0.000 0.000 0.294 239 I C -1.979 174.155 176.117 0.028 0.000 1.210 239 I CA -1.212 60.109 61.300 0.035 0.000 1.430 239 I CB 0.102 38.094 38.000 -0.012 0.000 1.356 239 I HN 0.453 nan 8.210 nan 0.000 0.563 240 P HA 0.200 nan 4.420 nan 0.000 0.266 240 P C -0.943 176.341 177.300 -0.026 0.000 1.215 240 P CA 0.209 63.307 63.100 -0.004 0.000 0.763 240 P CB 0.400 32.083 31.700 -0.028 0.000 0.806 241 L N 2.545 123.761 121.223 -0.012 0.000 2.362 241 L HA 0.625 4.965 4.340 -0.000 0.000 0.275 241 L C 0.310 177.150 176.870 -0.050 0.000 0.998 241 L CA -1.149 53.676 54.840 -0.026 0.000 0.820 241 L CB 2.105 44.220 42.059 0.093 0.000 1.270 241 L HN 0.238 nan 8.230 nan 0.000 0.415 242 A N 3.198 125.936 122.820 -0.137 0.000 2.671 242 A HA 0.754 5.074 4.320 -0.000 0.000 0.306 242 A C 0.054 177.620 177.584 -0.030 0.000 1.473 242 A CA 0.092 52.078 52.037 -0.086 0.000 1.155 242 A CB -0.328 18.525 19.000 -0.245 0.000 1.123 242 A HN 0.790 nan 8.150 nan 0.000 0.545 243 A N 1.873 124.653 122.820 -0.068 0.000 2.599 243 A HA 0.755 5.075 4.320 -0.000 0.000 0.294 243 A C -0.505 176.940 177.584 -0.232 0.000 1.055 243 A CA -0.478 51.415 52.037 -0.240 0.000 0.683 243 A CB 0.888 19.573 19.000 -0.526 0.000 1.278 243 A HN 0.635 nan 8.150 nan 0.000 0.412 244 T N 1.491 115.874 114.554 -0.285 0.000 2.847 244 T HA 0.442 4.792 4.350 -0.000 0.000 0.291 244 T C -0.059 174.464 174.700 -0.295 0.000 0.998 244 T CA -0.408 61.561 62.100 -0.219 0.000 0.967 244 T CB 1.006 69.809 68.868 -0.107 0.000 0.954 244 T HN 0.739 nan 8.240 nan 0.000 0.441 245 R N 2.570 122.880 120.500 -0.317 0.000 2.489 245 R HA 0.193 4.533 4.340 -0.000 0.000 0.287 245 R C 0.878 177.074 176.300 -0.173 0.000 1.053 245 R CA -0.218 55.686 56.100 -0.328 0.000 1.036 245 R CB 0.382 30.454 30.300 -0.379 0.000 0.966 245 R HN 0.408 nan 8.270 nan 0.000 0.432 246 R N 1.265 121.719 120.500 -0.077 0.000 2.225 246 R HA 0.119 4.459 4.340 -0.000 0.000 0.194 246 R C 0.219 176.510 176.300 -0.015 0.000 0.957 246 R CA 0.795 56.900 56.100 0.009 0.000 1.042 246 R CB 0.304 30.693 30.300 0.149 0.000 1.004 246 R HN 0.789 nan 8.270 nan 0.000 0.509 247 S N -1.578 114.113 115.700 -0.015 0.000 2.636 247 S HA 0.354 4.824 4.470 -0.000 0.000 0.268 247 S C -2.609 171.952 174.600 -0.065 0.000 1.159 247 S CA -1.063 57.117 58.200 -0.033 0.000 0.815 247 S CB 2.058 65.257 63.200 -0.001 0.000 1.130 247 S HN -0.272 nan 8.310 nan 0.000 0.471 248 P HA -0.012 nan 4.420 nan 0.000 0.220 248 P C 1.074 178.340 177.300 -0.057 0.000 1.144 248 P CA 1.953 65.003 63.100 -0.083 0.000 0.800 248 P CB -0.186 31.484 31.700 -0.050 0.000 0.772 249 T N -6.850 107.707 114.554 0.003 0.000 3.091 249 T HA 0.286 4.636 4.350 -0.000 0.000 0.277 249 T C -0.234 174.535 174.700 0.116 0.000 0.996 249 T CA -0.383 61.745 62.100 0.047 0.000 0.897 249 T CB -0.604 68.307 68.868 0.072 0.000 1.109 249 T HN -0.119 nan 8.240 nan 0.000 0.534 250 F N 1.530 121.415 119.950 -0.108 0.000 2.585 250 F HA 0.655 5.182 4.527 -0.000 0.000 0.319 250 F C -1.517 174.149 175.800 -0.224 0.000 1.165 250 F CA -1.048 56.882 58.000 -0.117 0.000 0.949 250 F CB 1.936 40.887 39.000 -0.082 0.000 1.218 250 F HN -0.105 nan 8.300 nan 0.000 0.453 251 V N 5.210 124.648 119.914 -0.792 0.000 2.495 251 V HA 0.306 4.426 4.120 -0.000 0.000 0.298 251 V C -0.388 175.030 176.094 -1.127 0.000 1.031 251 V CA -0.828 60.934 62.300 -0.896 0.000 0.871 251 V CB 1.730 32.858 31.823 -1.157 0.000 0.988 251 V HN 0.710 nan 8.190 nan 0.000 0.432 252 E N 4.107 123.903 120.200 -0.674 0.000 2.044 252 E HA 0.191 4.541 4.350 -0.000 0.000 0.282 252 E C -1.203 175.129 176.600 -0.448 0.000 1.031 252 E CA -0.547 55.618 56.400 -0.391 0.000 0.824 252 E CB 0.535 30.213 29.700 -0.035 0.000 1.076 252 E HN 0.629 nan 8.360 nan 0.000 0.395 253 W N 2.643 123.794 121.300 -0.250 0.000 2.218 253 W HA 0.141 4.801 4.660 -0.000 0.000 0.326 253 W C 0.669 177.174 176.519 -0.023 0.000 1.276 253 W CA -0.508 56.673 57.345 -0.272 0.000 1.210 253 W CB 0.912 29.956 29.460 -0.693 0.000 1.143 253 W HN 0.314 nan 8.180 nan 0.000 0.563 254 S N 1.612 117.487 115.700 0.292 0.000 2.603 254 S HA 0.593 5.063 4.470 -0.000 0.000 0.268 254 S C 0.119 175.140 174.600 0.701 0.000 1.317 254 S CA -0.564 57.884 58.200 0.414 0.000 1.012 254 S CB 1.059 64.487 63.200 0.379 0.000 0.926 254 S HN 0.506 nan 8.310 nan 0.000 0.539 255 S N -0.104 115.970 115.700 0.623 0.000 2.703 255 S HA 0.679 5.149 4.470 -0.000 0.000 0.273 255 S C 0.765 175.588 174.600 0.372 0.000 1.178 255 S CA -0.322 58.199 58.200 0.534 0.000 0.838 255 S CB 0.543 63.987 63.200 0.406 0.000 1.178 255 S HN 0.712 nan 8.310 nan 0.000 0.494 256 A N 1.625 124.559 122.820 0.190 0.000 1.958 256 A HA -0.211 4.109 4.320 -0.000 0.000 0.221 256 A C 2.035 179.680 177.584 0.102 0.000 1.178 256 A CA 2.234 54.332 52.037 0.101 0.000 0.642 256 A CB -1.576 17.452 19.000 0.046 0.000 0.816 256 A HN 0.880 nan 8.150 nan 0.000 0.453 257 N N -0.529 118.239 118.700 0.113 0.000 2.104 257 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 257 N C 1.592 177.135 175.510 0.055 0.000 1.024 257 N CA 2.180 55.268 53.050 0.063 0.000 0.853 257 N CB -0.304 38.233 38.487 0.083 0.000 1.008 257 N HN 0.473 nan 8.380 nan 0.000 0.424 258 T N 0.769 115.404 114.554 0.136 0.000 2.720 258 T HA -0.080 4.269 4.350 -0.000 0.000 0.268 258 T C 2.097 176.844 174.700 0.077 0.000 1.037 258 T CA 1.404 63.586 62.100 0.137 0.000 1.144 258 T CB -0.345 68.679 68.868 0.260 0.000 0.864 258 T HN 0.078 nan 8.240 nan 0.000 0.444 259 V N -0.469 119.482 119.914 0.062 0.000 2.358 259 V HA 0.117 4.236 4.120 -0.000 0.000 0.246 259 V C 0.549 176.624 176.094 -0.031 0.000 1.047 259 V CA 1.005 63.270 62.300 -0.058 0.000 1.035 259 V CB -0.462 31.280 31.823 -0.135 0.000 0.658 259 V HN 0.506 nan 8.190 nan 0.000 0.452 260 F N 0.928 120.768 119.950 -0.183 0.000 2.651 260 F HA 0.362 4.889 4.527 -0.000 0.000 0.329 260 F C 0.183 175.875 175.800 -0.179 0.000 1.186 260 F CA -1.544 56.314 58.000 -0.236 0.000 1.046 260 F CB 1.272 40.079 39.000 -0.321 0.000 1.296 260 F HN 0.133 nan 8.300 nan 0.000 0.497 261 D N 4.895 124.852 120.400 -0.738 0.000 2.348 261 D HA -0.042 4.598 4.640 -0.000 0.000 0.216 261 D C 1.185 177.201 176.300 -0.473 0.000 0.970 261 D CA 1.234 54.954 54.000 -0.467 0.000 0.889 261 D CB 0.026 40.613 40.800 -0.355 0.000 0.912 261 D HN 0.690 nan 8.370 nan 0.000 0.524 262 L N -1.970 118.743 121.223 -0.849 0.000 4.759 262 L HA -0.225 4.115 4.340 -0.000 0.000 0.419 262 L C -0.251 176.585 176.870 -0.056 0.000 1.093 262 L CA 0.376 55.026 54.840 -0.317 0.000 1.037 262 L CB -1.434 40.622 42.059 -0.005 0.000 2.095 262 L HN 0.205 nan 8.230 nan 0.000 0.739 263 Q N 0.968 120.639 119.800 -0.215 0.000 2.352 263 Q HA 0.218 4.558 4.340 -0.000 0.000 0.260 263 Q C 0.390 176.454 176.000 0.107 0.000 0.976 263 Q CA -0.119 55.650 55.803 -0.057 0.000 0.881 263 Q CB 0.590 29.261 28.738 -0.111 0.000 1.235 263 Q HN 0.121 nan 8.270 nan 0.000 0.419 264 N N 1.906 120.658 118.700 0.086 0.000 2.407 264 N HA 0.032 4.772 4.740 -0.000 0.000 0.250 264 N C -0.385 175.184 175.510 0.099 0.000 1.236 264 N CA 0.503 53.602 53.050 0.080 0.000 0.879 264 N CB 0.488 38.939 38.487 -0.060 0.000 1.088 264 N HN 0.243 nan 8.380 nan 0.000 0.450 265 R N 1.594 122.182 120.500 0.147 0.000 2.686 265 R HA 0.499 4.839 4.340 -0.000 0.000 0.286 265 R C -2.447 173.916 176.300 0.104 0.000 0.969 265 R CA -1.552 54.628 56.100 0.134 0.000 0.898 265 R CB 2.012 32.425 30.300 0.189 0.000 1.183 265 R HN 0.388 nan 8.270 nan 0.000 0.456 266 P HA 0.234 nan 4.420 nan 0.000 0.281 266 P C -1.380 175.974 177.300 0.090 0.000 1.249 266 P CA -0.510 62.677 63.100 0.146 0.000 0.810 266 P CB 0.830 32.671 31.700 0.235 0.000 1.008 267 N N -1.544 117.198 118.700 0.069 0.000 2.934 267 N HA 0.208 4.948 4.740 -0.000 0.000 0.253 267 N C 0.484 176.010 175.510 0.026 0.000 1.466 267 N CA -0.732 52.340 53.050 0.037 0.000 0.858 267 N CB -0.545 37.953 38.487 0.019 0.000 1.459 267 N HN 0.064 nan 8.380 nan 0.000 0.532 268 T N -0.578 113.983 114.554 0.011 0.000 2.653 268 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 268 T C 0.448 175.149 174.700 0.002 0.000 1.035 268 T CA 1.864 63.966 62.100 0.004 0.000 1.154 268 T CB -0.472 68.395 68.868 -0.002 0.000 0.862 268 T HN 0.563 nan 8.240 nan 0.000 0.441 269 D N 0.969 121.367 120.400 -0.004 0.000 2.317 269 D HA 0.187 4.827 4.640 -0.000 0.000 0.211 269 D C 0.707 177.008 176.300 0.001 0.000 0.966 269 D CA 0.425 54.420 54.000 -0.008 0.000 0.876 269 D CB 0.154 40.941 40.800 -0.021 0.000 0.927 269 D HN 0.383 nan 8.370 nan 0.000 0.519 270 A N 1.369 124.198 122.820 0.016 0.000 3.127 270 A HA 0.314 4.634 4.320 -0.000 0.000 0.319 270 A C -1.961 175.665 177.584 0.070 0.000 1.104 270 A CA -0.881 51.180 52.037 0.039 0.000 0.802 270 A CB 1.094 20.119 19.000 0.042 0.000 1.193 270 A HN -0.162 nan 8.150 nan 0.000 0.479 271 P HA -0.075 nan 4.420 nan 0.000 0.225 271 P C 0.426 177.784 177.300 0.097 0.000 1.156 271 P CA 1.090 64.223 63.100 0.056 0.000 0.787 271 P CB 0.409 32.111 31.700 0.003 0.000 0.802 272 E N -0.084 120.186 120.200 0.118 0.000 2.499 272 E HA 0.166 4.516 4.350 -0.000 0.000 0.199 272 E C 0.077 176.923 176.600 0.410 0.000 1.016 272 E CA -0.000 56.532 56.400 0.221 0.000 0.933 272 E CB 0.514 30.248 29.700 0.058 0.000 1.050 272 E HN 0.456 nan 8.360 nan 0.000 0.462 273 E N 1.234 121.610 120.200 0.293 0.000 2.214 273 E HA 0.418 4.768 4.350 -0.000 0.000 0.274 273 E C -0.425 176.266 176.600 0.152 0.000 0.977 273 E CA -0.543 55.977 56.400 0.199 0.000 0.827 273 E CB 1.430 31.221 29.700 0.151 0.000 1.130 273 E HN -0.090 nan 8.360 nan 0.000 0.394 274 R N 2.322 122.872 120.500 0.084 0.000 2.473 274 R HA 0.435 4.775 4.340 -0.000 0.000 0.303 274 R C -1.506 174.900 176.300 0.177 0.000 1.002 274 R CA -0.560 55.560 56.100 0.032 0.000 0.884 274 R CB 1.016 31.209 30.300 -0.177 0.000 1.173 274 R HN 0.381 nan 8.270 nan 0.000 0.464 275 F N 1.967 121.916 119.950 -0.001 0.000 2.608 275 F HA 0.473 5.000 4.527 -0.000 0.000 0.309 275 F C -1.618 174.123 175.800 -0.098 0.000 1.103 275 F CA -0.704 57.288 58.000 -0.015 0.000 0.954 275 F CB 2.195 41.267 39.000 0.120 0.000 1.267 275 F HN 0.392 nan 8.300 nan 0.000 0.444 276 N N 4.105 122.122 118.700 -1.139 0.000 2.310 276 N HA 0.605 5.345 4.740 -0.000 0.000 0.292 276 N C -2.174 172.292 175.510 -1.740 0.000 1.049 276 N CA -0.607 51.715 53.050 -1.213 0.000 0.849 276 N CB 2.375 40.333 38.487 -0.881 0.000 1.532 276 N HN 0.578 nan 8.380 nan 0.000 0.479 277 L N 2.649 123.051 121.223 -1.369 0.000 2.313 277 L HA 0.658 4.998 4.340 -0.000 0.000 0.283 277 L C -1.753 174.541 176.870 -0.961 0.000 1.013 277 L CA -0.391 53.885 54.840 -0.941 0.000 0.816 277 L CB 0.277 42.141 42.059 -0.326 0.000 1.236 277 L HN 0.458 nan 8.230 nan 0.000 0.419 278 F N 6.532 126.232 119.950 -0.416 0.000 2.359 278 F HA 0.572 5.099 4.527 -0.000 0.000 0.369 278 F C -2.129 173.629 175.800 -0.069 0.000 1.084 278 F CA -2.048 55.810 58.000 -0.237 0.000 1.096 278 F CB 0.734 39.566 39.000 -0.281 0.000 1.335 278 F HN 0.406 nan 8.300 nan 0.000 0.457 279 P HA 0.383 nan 4.420 nan 0.000 0.278 279 P C -0.068 177.303 177.300 0.118 0.000 1.266 279 P CA -0.386 62.769 63.100 0.092 0.000 0.807 279 P CB 1.243 32.972 31.700 0.050 0.000 1.094 280 A N -1.003 121.871 122.820 0.090 0.000 2.822 280 A HA -0.091 4.229 4.320 -0.000 0.000 0.287 280 A C -0.076 177.553 177.584 0.076 0.000 1.479 280 A CA 0.717 52.798 52.037 0.075 0.000 0.779 280 A CB -2.454 16.584 19.000 0.064 0.000 1.022 280 A HN 0.264 nan 8.150 nan 0.000 0.532 281 V N -0.096 119.882 119.914 0.107 0.000 2.376 281 V HA 0.643 4.763 4.120 -0.000 0.000 0.287 281 V C 0.655 176.773 176.094 0.040 0.000 1.015 281 V CA -0.309 62.054 62.300 0.105 0.000 0.834 281 V CB 1.397 33.371 31.823 0.252 0.000 1.001 281 V HN 1.479 nan 8.190 nan 0.000 0.428 282 A N 4.405 127.226 122.820 0.002 0.000 2.396 282 A HA 0.382 4.702 4.320 -0.000 0.000 0.279 282 A C 0.261 177.827 177.584 -0.031 0.000 1.165 282 A CA -0.110 51.906 52.037 -0.035 0.000 0.824 282 A CB -0.286 18.740 19.000 0.044 0.000 1.100 282 A HN 0.865 nan 8.150 nan 0.000 0.516 283 C N 2.962 122.214 119.300 -0.080 0.000 2.415 283 C HA 0.330 4.789 4.460 -0.000 0.000 0.369 283 C C 1.392 176.337 174.990 -0.075 0.000 1.279 283 C CA -0.242 58.716 59.018 -0.099 0.000 1.886 283 C CB -0.317 27.355 27.740 -0.114 0.000 2.468 283 C HN 1.018 nan 8.230 nan 0.000 0.553 284 E N 0.838 121.011 120.200 -0.045 0.000 2.306 284 E HA 0.092 4.442 4.350 -0.000 0.000 0.201 284 E C 0.317 176.887 176.600 -0.050 0.000 0.874 284 E CA 0.300 56.681 56.400 -0.032 0.000 0.972 284 E CB 0.477 30.180 29.700 0.006 0.000 0.957 284 E HN 0.780 nan 8.360 nan 0.000 0.492 285 R N 0.037 120.506 120.500 -0.053 0.000 2.634 285 R HA 0.369 4.709 4.340 -0.000 0.000 0.263 285 R C -0.829 175.372 176.300 -0.166 0.000 1.060 285 R CA -0.856 55.181 56.100 -0.106 0.000 0.898 285 R CB 0.916 31.149 30.300 -0.112 0.000 1.253 285 R HN -0.087 nan 8.270 nan 0.000 0.461 286 V N 0.092 119.899 119.914 -0.178 0.000 2.461 286 V HA 0.481 4.601 4.120 -0.000 0.000 0.275 286 V C 0.203 176.158 176.094 -0.233 0.000 1.047 286 V CA -0.743 61.410 62.300 -0.245 0.000 0.955 286 V CB 1.391 33.055 31.823 -0.265 0.000 0.988 286 V HN 0.515 nan 8.190 nan 0.000 0.471 287 V N 6.210 125.947 119.914 -0.295 0.000 2.408 287 V HA 0.379 4.499 4.120 -0.000 0.000 0.267 287 V C 0.770 176.790 176.094 -0.123 0.000 1.047 287 V CA -0.315 61.842 62.300 -0.238 0.000 0.937 287 V CB 0.454 32.109 31.823 -0.279 0.000 0.999 287 V HN 0.949 nan 8.190 nan 0.000 0.472 288 R N 4.129 124.592 120.500 -0.061 0.000 2.441 288 R HA 0.264 4.604 4.340 -0.000 0.000 0.284 288 R C 0.542 176.862 176.300 0.033 0.000 1.070 288 R CA -0.478 55.666 56.100 0.073 0.000 1.047 288 R CB 0.457 30.791 30.300 0.056 0.000 1.016 288 R HN 0.875 nan 8.270 nan 0.000 0.477 289 N N 1.752 120.487 118.700 0.060 0.000 2.326 289 N HA -0.026 4.714 4.740 -0.000 0.000 0.239 289 N C 0.475 175.972 175.510 -0.021 0.000 1.301 289 N CA 0.212 53.265 53.050 0.004 0.000 0.909 289 N CB 0.435 38.920 38.487 -0.002 0.000 1.156 289 N HN 0.574 nan 8.380 nan 0.000 0.462 290 A N -0.371 122.431 122.820 -0.030 0.000 2.067 290 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 290 A C 1.797 179.348 177.584 -0.056 0.000 1.158 290 A CA 0.747 52.761 52.037 -0.039 0.000 0.661 290 A CB -0.444 18.538 19.000 -0.030 0.000 0.801 290 A HN 0.498 nan 8.150 nan 0.000 0.452 291 L N -0.634 120.545 121.223 -0.074 0.000 2.558 291 L HA 0.127 4.467 4.340 -0.000 0.000 0.225 291 L C 0.102 176.874 176.870 -0.164 0.000 1.128 291 L CA 0.523 55.305 54.840 -0.097 0.000 0.868 291 L CB -1.180 40.825 42.059 -0.090 0.000 1.006 291 L HN 0.465 nan 8.230 nan 0.000 0.454 292 N N -0.313 118.267 118.700 -0.199 0.000 2.756 292 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 292 N C 1.006 175.970 175.510 -0.910 0.000 1.062 292 N CA 0.967 53.794 53.050 -0.371 0.000 0.696 292 N CB -1.320 37.072 38.487 -0.157 0.000 0.946 292 N HN 0.503 nan 8.380 nan 0.000 0.548 293 S N -1.820 113.439 115.700 -0.735 0.000 2.632 293 S HA 0.292 4.762 4.470 -0.000 0.000 0.237 293 S C 0.241 174.572 174.600 -0.449 0.000 1.037 293 S CA 0.002 57.843 58.200 -0.598 0.000 1.009 293 S CB 1.554 64.602 63.200 -0.254 0.000 0.974 293 S HN 0.391 nan 8.310 nan 0.000 0.544 294 E N 0.046 120.059 120.200 -0.312 0.000 2.388 294 E HA 0.363 4.713 4.350 -0.000 0.000 0.281 294 E C -1.881 174.911 176.600 0.319 0.000 1.046 294 E CA -0.789 55.688 56.400 0.129 0.000 0.825 294 E CB 1.162 30.908 29.700 0.078 0.000 1.243 294 E HN 0.123 nan 8.360 nan 0.000 0.438 295 I N 3.465 124.198 120.570 0.272 0.000 2.353 295 I HA 0.141 4.311 4.170 -0.000 0.000 0.293 295 I C 1.023 177.097 176.117 -0.071 0.000 0.992 295 I CA 0.106 61.403 61.300 -0.005 0.000 1.268 295 I CB 1.314 39.105 38.000 -0.348 0.000 1.387 295 I HN 0.677 nan 8.210 nan 0.000 0.478 296 E N 3.428 123.573 120.200 -0.091 0.000 2.276 296 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 296 E C 0.367 176.986 176.600 0.032 0.000 0.983 296 E CA 0.437 56.843 56.400 0.009 0.000 0.861 296 E CB 0.577 30.288 29.700 0.019 0.000 0.817 296 E HN 0.737 nan 8.360 nan 0.000 0.485 297 S N -0.496 115.126 115.700 -0.130 0.000 2.655 297 S HA 0.477 4.947 4.470 -0.000 0.000 0.266 297 S C -1.559 172.952 174.600 -0.149 0.000 1.149 297 S CA -1.056 57.149 58.200 0.009 0.000 0.818 297 S CB 1.276 64.541 63.200 0.108 0.000 1.130 297 S HN 0.022 nan 8.310 nan 0.000 0.476 298 L N 1.517 122.782 121.223 0.069 0.000 2.349 298 L HA 0.578 4.918 4.340 -0.000 0.000 0.278 298 L C -0.968 175.950 176.870 0.080 0.000 0.996 298 L CA -0.158 54.685 54.840 0.004 0.000 0.825 298 L CB 1.118 43.224 42.059 0.078 0.000 1.243 298 L HN 0.910 nan 8.230 nan 0.000 0.412 299 H N 5.922 124.940 119.070 -0.088 0.000 2.562 299 H HA 0.547 5.103 4.556 -0.000 0.000 0.314 299 H C -0.344 174.920 175.328 -0.107 0.000 1.079 299 H CA -0.576 55.426 56.048 -0.077 0.000 1.349 299 H CB 1.240 30.961 29.762 -0.068 0.000 1.432 299 H HN 0.683 nan 8.280 nan 0.000 0.479 300 I N -0.153 120.417 120.570 -0.002 0.000 2.846 300 I HA 0.394 4.564 4.170 -0.000 0.000 0.307 300 I C -0.850 175.309 176.117 0.070 0.000 1.053 300 I CA -0.950 60.317 61.300 -0.055 0.000 1.050 300 I CB 2.781 40.626 38.000 -0.258 0.000 1.239 300 I HN 0.587 nan 8.210 nan 0.000 0.439 301 H N 3.264 122.316 119.070 -0.030 0.000 2.646 301 H HA 0.219 4.775 4.556 -0.000 0.000 0.328 301 H C -1.368 173.997 175.328 0.061 0.000 0.998 301 H CA -0.685 55.361 56.048 -0.004 0.000 1.225 301 H CB 1.558 31.319 29.762 -0.002 0.000 1.457 301 H HN 0.779 nan 8.280 nan 0.000 0.505 302 D N 6.158 126.606 120.400 0.080 0.000 2.344 302 D HA -0.003 4.637 4.640 -0.000 0.000 0.253 302 D C 1.160 177.324 176.300 -0.227 0.000 1.255 302 D CA -0.131 53.885 54.000 0.027 0.000 0.894 302 D CB 0.856 41.807 40.800 0.252 0.000 1.067 302 D HN 0.690 nan 8.370 nan 0.000 0.492 303 L N 4.148 125.224 121.223 -0.245 0.000 2.275 303 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 303 L C 2.044 178.849 176.870 -0.110 0.000 1.119 303 L CA 0.252 54.928 54.840 -0.274 0.000 0.790 303 L CB -0.091 41.911 42.059 -0.095 0.000 0.919 303 L HN 0.545 nan 8.230 nan 0.000 0.443 304 I N -0.430 120.118 120.570 -0.036 0.000 2.235 304 I HA -0.172 3.998 4.170 -0.000 0.000 0.241 304 I C 2.805 178.930 176.117 0.014 0.000 1.085 304 I CA 1.774 63.078 61.300 0.005 0.000 1.378 304 I CB -1.163 36.857 38.000 0.033 0.000 1.076 304 I HN 0.302 nan 8.210 nan 0.000 0.415 305 S N 0.418 116.138 115.700 0.034 0.000 2.395 305 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 305 S C 1.842 176.467 174.600 0.042 0.000 1.027 305 S CA 1.165 59.396 58.200 0.052 0.000 0.965 305 S CB -0.003 63.258 63.200 0.101 0.000 0.812 305 S HN 0.607 nan 8.310 nan 0.000 0.482 306 G N 0.695 109.512 108.800 0.027 0.000 2.194 306 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.236 306 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.236 306 G C -0.454 174.553 174.900 0.179 0.000 0.987 306 G CA 0.074 45.246 45.100 0.120 0.000 0.635 306 G HN 0.563 nan 8.290 nan 0.000 0.520 307 D N 0.491 120.917 120.400 0.043 0.000 2.339 307 D HA 0.582 5.222 4.640 -0.000 0.000 0.245 307 D C 0.914 177.025 176.300 -0.314 0.000 1.115 307 D CA 0.091 53.971 54.000 -0.201 0.000 0.917 307 D CB 0.678 41.279 40.800 -0.331 0.000 1.192 307 D HN 0.358 nan 8.370 nan 0.000 0.428 308 R N 0.762 120.924 120.500 -0.564 0.000 2.604 308 R HA 0.639 4.979 4.340 -0.000 0.000 0.287 308 R C -0.792 175.003 176.300 -0.842 0.000 0.970 308 R CA -0.588 55.222 56.100 -0.483 0.000 0.946 308 R CB 1.085 31.186 30.300 -0.332 0.000 1.127 308 R HN 0.282 nan 8.270 nan 0.000 0.473 309 F N -0.411 119.467 119.950 -0.120 0.000 2.643 309 F HA 0.340 4.867 4.527 -0.000 0.000 0.314 309 F C -0.042 175.671 175.800 -0.145 0.000 1.096 309 F CA -0.923 57.003 58.000 -0.124 0.000 0.953 309 F CB 1.764 40.709 39.000 -0.090 0.000 1.345 309 F HN 0.198 nan 8.300 nan 0.000 0.468 310 E N 2.287 122.572 120.200 0.141 0.000 2.166 310 E HA 0.489 4.839 4.350 -0.000 0.000 0.275 310 E C -1.101 175.581 176.600 0.138 0.000 0.941 310 E CA -0.552 55.938 56.400 0.150 0.000 0.784 310 E CB 2.156 31.944 29.700 0.146 0.000 1.115 310 E HN 0.260 nan 8.360 nan 0.000 0.399 311 I N 2.595 123.242 120.570 0.130 0.000 2.433 311 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 311 I C 0.034 176.293 176.117 0.236 0.000 1.001 311 I CA -0.881 60.513 61.300 0.156 0.000 1.119 311 I CB 1.456 39.519 38.000 0.104 0.000 1.289 311 I HN 0.258 nan 8.210 nan 0.000 0.438 312 K N 3.799 124.331 120.400 0.220 0.000 2.138 312 K HA 0.845 5.165 4.320 -0.000 0.000 0.263 312 K C -0.704 175.985 176.600 0.149 0.000 0.965 312 K CA -0.224 56.198 56.287 0.225 0.000 0.868 312 K CB 1.941 34.530 32.500 0.148 0.000 1.083 312 K HN 0.855 nan 8.250 nan 0.000 0.443 313 A N 2.005 124.837 122.820 0.020 0.000 2.588 313 A HA 0.348 4.668 4.320 -0.000 0.000 0.290 313 A C -0.542 176.922 177.584 -0.200 0.000 1.136 313 A CA -0.656 51.254 52.037 -0.212 0.000 0.681 313 A CB 0.902 19.587 19.000 -0.526 0.000 1.282 313 A HN 0.723 nan 8.150 nan 0.000 0.421 314 D N -0.644 119.661 120.400 -0.157 0.000 2.162 314 D HA 0.124 4.764 4.640 -0.000 0.000 0.203 314 D C 0.264 176.428 176.300 -0.226 0.000 0.967 314 D CA 1.658 55.622 54.000 -0.061 0.000 0.840 314 D CB 0.263 41.084 40.800 0.035 0.000 0.972 314 D HN 0.210 nan 8.370 nan 0.000 0.482 315 V N 0.834 120.467 119.914 -0.467 0.000 2.588 315 V HA 0.268 4.388 4.120 -0.000 0.000 0.304 315 V C -1.277 174.544 176.094 -0.455 0.000 1.042 315 V CA -0.847 61.189 62.300 -0.440 0.000 0.877 315 V CB 1.799 33.241 31.823 -0.635 0.000 0.996 315 V HN -0.050 nan 8.190 nan 0.000 0.425 316 Y N 2.961 123.239 120.300 -0.037 0.000 2.341 316 Y HA 0.695 5.245 4.550 -0.000 0.000 0.338 316 Y C -0.099 175.762 175.900 -0.064 0.000 0.965 316 Y CA -0.940 57.128 58.100 -0.053 0.000 1.108 316 Y CB 2.089 40.515 38.460 -0.056 0.000 1.180 316 Y HN 0.344 nan 8.280 nan 0.000 0.458 317 V N 5.512 125.395 119.914 -0.052 0.000 2.444 317 V HA 0.374 4.494 4.120 -0.000 0.000 0.294 317 V C -0.468 175.496 176.094 -0.217 0.000 1.022 317 V CA -0.912 61.241 62.300 -0.244 0.000 0.850 317 V CB 1.633 33.078 31.823 -0.629 0.000 0.992 317 V HN 0.602 nan 8.190 nan 0.000 0.426 318 L N 5.293 126.389 121.223 -0.213 0.000 2.264 318 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 318 L C 0.386 177.167 176.870 -0.149 0.000 1.039 318 L CA -0.148 54.588 54.840 -0.172 0.000 0.829 318 L CB 1.376 43.309 42.059 -0.210 0.000 1.211 318 L HN 0.807 nan 8.230 nan 0.000 0.427 319 T N -1.571 112.929 114.554 -0.090 0.000 3.516 319 T HA 0.377 4.726 4.350 -0.000 0.000 0.245 319 T C 0.667 175.378 174.700 0.018 0.000 1.077 319 T CA -0.179 61.909 62.100 -0.019 0.000 1.222 319 T CB 1.045 69.909 68.868 -0.006 0.000 1.045 319 T HN 0.524 nan 8.240 nan 0.000 0.585 320 A N 0.804 123.641 122.820 0.029 0.000 2.307 320 A HA 0.773 5.093 4.320 -0.000 0.000 0.218 320 A C 1.347 179.008 177.584 0.128 0.000 1.228 320 A CA 0.055 52.130 52.037 0.063 0.000 0.857 320 A CB -0.680 18.348 19.000 0.046 0.000 0.897 320 A HN 1.715 nan 8.150 nan 0.000 0.495 321 G N -2.579 106.294 108.800 0.122 0.000 2.629 321 G HA2 0.286 4.246 3.960 -0.000 0.000 0.686 321 G HA3 0.286 4.246 3.960 -0.000 0.000 0.686 321 G C 0.728 175.723 174.900 0.158 0.000 1.232 321 G CA -0.279 44.899 45.100 0.130 0.000 0.803 321 G HN 1.286 nan 8.290 nan 0.000 0.638 322 A N -0.030 122.870 122.820 0.133 0.000 1.948 322 A HA 0.123 4.443 4.320 -0.000 0.000 0.220 322 A C 2.641 180.310 177.584 0.142 0.000 1.177 322 A CA 3.367 55.478 52.037 0.123 0.000 0.636 322 A CB -0.367 18.681 19.000 0.080 0.000 0.815 322 A HN 1.615 nan 8.150 nan 0.000 0.449 323 V N -1.172 118.787 119.914 0.075 0.000 2.331 323 V HA -0.183 3.937 4.120 -0.000 0.000 0.242 323 V C 2.202 178.337 176.094 0.068 0.000 1.034 323 V CA 2.093 64.409 62.300 0.027 0.000 1.027 323 V CB -1.002 30.711 31.823 -0.184 0.000 0.667 323 V HN 0.745 nan 8.190 nan 0.000 0.457 324 H N -0.242 118.901 119.070 0.122 0.000 2.502 324 H HA -0.028 4.528 4.556 -0.000 0.000 0.283 324 H C 2.252 177.575 175.328 -0.008 0.000 1.015 324 H CA 0.938 57.011 56.048 0.042 0.000 1.298 324 H CB 0.122 29.889 29.762 0.008 0.000 1.411 324 H HN 0.324 nan 8.280 nan 0.000 0.556 325 N N -0.054 118.727 118.700 0.136 0.000 2.084 325 N HA -0.119 4.621 4.740 -0.000 0.000 0.190 325 N C 1.805 177.310 175.510 -0.010 0.000 1.030 325 N CA 1.764 54.827 53.050 0.021 0.000 0.849 325 N CB -0.520 37.971 38.487 0.006 0.000 1.012 325 N HN 0.307 nan 8.380 nan 0.000 0.423 326 T N 0.949 115.578 114.554 0.125 0.000 2.720 326 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 326 T C 1.835 176.428 174.700 -0.178 0.000 1.037 326 T CA 1.158 63.336 62.100 0.130 0.000 1.144 326 T CB -0.230 68.855 68.868 0.361 0.000 0.864 326 T HN 0.350 nan 8.240 nan 0.000 0.444 327 Q N 0.339 119.911 119.800 -0.380 0.000 2.050 327 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 327 Q C 2.361 178.085 176.000 -0.459 0.000 0.980 327 Q CA 1.203 56.444 55.803 -0.937 0.000 0.840 327 Q CB -0.293 28.165 28.738 -0.468 0.000 0.898 327 Q HN 0.495 nan 8.270 nan 0.000 0.424 328 L N 0.330 121.414 121.223 -0.231 0.000 2.046 328 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 328 L C 2.276 179.053 176.870 -0.156 0.000 1.077 328 L CA 0.909 55.647 54.840 -0.169 0.000 0.747 328 L CB -0.113 41.864 42.059 -0.135 0.000 0.896 328 L HN 0.311 nan 8.230 nan 0.000 0.432 329 L N -1.520 119.598 121.223 -0.174 0.000 2.046 329 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 329 L C 2.404 179.300 176.870 0.043 0.000 1.077 329 L CA 0.911 55.675 54.840 -0.127 0.000 0.747 329 L CB -0.521 41.378 42.059 -0.266 0.000 0.896 329 L HN 0.080 nan 8.230 nan 0.000 0.432 330 V N -0.064 119.814 119.914 -0.059 0.000 2.427 330 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 330 V C 2.120 178.194 176.094 -0.034 0.000 1.051 330 V CA 1.939 64.232 62.300 -0.011 0.000 1.048 330 V CB -0.694 31.101 31.823 -0.047 0.000 0.666 330 V HN 0.498 nan 8.190 nan 0.000 0.456 331 N N 0.094 118.728 118.700 -0.109 0.000 2.453 331 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 331 N C 1.514 176.998 175.510 -0.044 0.000 1.041 331 N CA 1.181 54.184 53.050 -0.078 0.000 0.900 331 N CB -0.039 38.384 38.487 -0.108 0.000 0.961 331 N HN 0.381 nan 8.380 nan 0.000 0.443 332 S N -1.504 114.188 115.700 -0.012 0.000 2.577 332 S HA 0.334 4.804 4.470 -0.000 0.000 0.219 332 S C 1.075 175.646 174.600 -0.047 0.000 0.962 332 S CA 0.242 58.438 58.200 -0.006 0.000 0.921 332 S CB 0.502 63.742 63.200 0.068 0.000 0.789 332 S HN 0.566 nan 8.310 nan 0.000 0.497 333 G N 0.981 109.758 108.800 -0.040 0.000 2.176 333 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.232 333 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.232 333 G C -0.037 174.753 174.900 -0.183 0.000 0.986 333 G CA -0.541 44.484 45.100 -0.125 0.000 0.643 333 G HN 0.424 nan 8.290 nan 0.000 0.522 334 F N 0.942 120.862 119.950 -0.050 0.000 2.370 334 F HA 0.531 5.058 4.527 -0.000 0.000 0.324 334 F C 1.720 177.530 175.800 0.017 0.000 1.116 334 F CA 1.003 58.986 58.000 -0.028 0.000 1.123 334 F CB 0.879 39.831 39.000 -0.079 0.000 1.238 334 F HN 0.689 nan 8.300 nan 0.000 0.536 335 G N 1.672 110.617 108.800 0.242 0.000 2.614 335 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.303 335 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.303 335 G C -0.603 174.373 174.900 0.125 0.000 1.270 335 G CA 0.299 45.506 45.100 0.179 0.000 0.988 335 G HN 0.824 nan 8.290 nan 0.000 0.551 336 Q N -1.034 118.847 119.800 0.135 0.000 2.263 336 Q HA 0.580 4.920 4.340 -0.000 0.000 0.266 336 Q C -1.031 175.051 176.000 0.137 0.000 1.002 336 Q CA -0.970 54.892 55.803 0.098 0.000 0.790 336 Q CB 1.663 30.437 28.738 0.059 0.000 1.272 336 Q HN 0.841 nan 8.270 nan 0.000 0.435 337 L N 3.885 125.180 121.223 0.120 0.000 2.397 337 L HA 0.721 5.061 4.340 -0.000 0.000 0.271 337 L C 0.380 177.335 176.870 0.142 0.000 1.148 337 L CA 1.950 56.887 54.840 0.163 0.000 0.825 337 L CB 0.880 43.009 42.059 0.117 0.000 1.117 337 L HN 0.858 nan 8.230 nan 0.000 0.456 338 G N 3.708 112.651 108.800 0.239 0.000 2.685 338 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.387 338 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.387 338 G C -0.519 174.281 174.900 -0.165 0.000 1.324 338 G CA -0.229 44.971 45.100 0.167 0.000 0.878 338 G HN 0.929 nan 8.290 nan 0.000 0.527 339 R N 0.794 120.985 120.500 -0.516 0.000 2.502 339 R HA 0.353 4.693 4.340 -0.000 0.000 0.292 339 R C -1.951 173.912 176.300 -0.728 0.000 0.998 339 R CA -0.527 54.865 56.100 -1.179 0.000 1.056 339 R CB 0.004 29.921 30.300 -0.638 0.000 0.939 339 R HN 0.335 nan 8.270 nan 0.000 0.411 340 P HA 0.001 nan 4.420 nan 0.000 0.264 340 P C -1.489 175.643 177.300 -0.279 0.000 1.193 340 P CA 0.219 63.064 63.100 -0.426 0.000 0.763 340 P CB 0.414 31.876 31.700 -0.398 0.000 0.810 341 N N 2.004 120.599 118.700 -0.174 0.000 2.500 341 N HA 0.374 5.114 4.740 -0.000 0.000 0.291 341 N C -2.571 172.893 175.510 -0.077 0.000 1.092 341 N CA -1.777 51.201 53.050 -0.119 0.000 0.890 341 N CB 1.666 40.090 38.487 -0.106 0.000 1.466 341 N HN 0.068 nan 8.380 nan 0.000 0.507 342 P HA 0.108 nan 4.420 nan 0.000 0.255 342 P C -0.140 177.142 177.300 -0.029 0.000 1.427 342 P CA 0.190 63.265 63.100 -0.042 0.000 0.863 342 P CB -0.043 31.632 31.700 -0.041 0.000 1.444 343 T N -5.628 108.907 114.554 -0.032 0.000 3.170 343 T HA 0.210 4.560 4.350 -0.000 0.000 0.288 343 T C 0.425 175.113 174.700 -0.021 0.000 0.992 343 T CA -0.344 61.742 62.100 -0.023 0.000 0.909 343 T CB -0.422 68.431 68.868 -0.024 0.000 1.133 343 T HN -0.057 nan 8.240 nan 0.000 0.530 344 N N 2.511 121.197 118.700 -0.023 0.000 2.711 344 N HA 0.296 5.036 4.740 -0.000 0.000 0.263 344 N C -3.253 172.250 175.510 -0.012 0.000 1.667 344 N CA -0.873 52.167 53.050 -0.018 0.000 0.785 344 N CB 1.675 40.149 38.487 -0.022 0.000 1.231 344 N HN 0.182 nan 8.380 nan 0.000 0.503 345 P HA 0.253 nan 4.420 nan 0.000 0.271 345 P C -2.377 174.930 177.300 0.011 0.000 1.218 345 P CA -0.727 62.376 63.100 0.005 0.000 0.780 345 P CB 0.157 31.862 31.700 0.009 0.000 0.901 346 P HA 0.112 nan 4.420 nan 0.000 0.272 346 P C 0.335 177.651 177.300 0.027 0.000 1.230 346 P CA 0.032 63.149 63.100 0.028 0.000 0.788 346 P CB 1.050 32.782 31.700 0.054 0.000 0.949 347 E N -0.123 120.085 120.200 0.013 0.000 2.152 347 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 347 E C 0.253 176.871 176.600 0.030 0.000 0.983 347 E CA 0.783 57.188 56.400 0.008 0.000 0.818 347 E CB -0.031 29.659 29.700 -0.017 0.000 0.758 347 E HN 0.361 nan 8.360 nan 0.000 0.467 348 L N 0.556 121.807 121.223 0.046 0.000 2.381 348 L HA 0.316 4.656 4.340 -0.000 0.000 0.268 348 L C -0.402 176.583 176.870 0.192 0.000 0.997 348 L CA -0.873 54.034 54.840 0.111 0.000 0.818 348 L CB 1.911 43.987 42.059 0.028 0.000 1.310 348 L HN 0.051 nan 8.230 nan 0.000 0.416 349 L N 3.254 124.620 121.223 0.239 0.000 3.895 349 L HA -0.179 4.161 4.340 -0.000 0.000 0.511 349 L C -1.441 175.540 176.870 0.185 0.000 1.222 349 L CA -0.446 54.538 54.840 0.239 0.000 0.739 349 L CB -0.820 41.419 42.059 0.299 0.000 1.425 349 L HN 0.589 nan 8.230 nan 0.000 0.817 350 P HA -0.108 nan 4.420 nan 0.000 0.228 350 P C 1.125 178.520 177.300 0.158 0.000 1.151 350 P CA 1.048 64.224 63.100 0.126 0.000 0.770 350 P CB 0.286 32.042 31.700 0.092 0.000 0.786 351 S N -0.804 115.010 115.700 0.189 0.000 2.575 351 S HA 0.094 4.564 4.470 -0.000 0.000 0.215 351 S C 0.725 175.480 174.600 0.259 0.000 0.966 351 S CA -0.451 57.906 58.200 0.261 0.000 0.911 351 S CB -0.575 62.782 63.200 0.261 0.000 0.780 351 S HN 0.058 nan 8.310 nan 0.000 0.514 352 L N 2.817 124.173 121.223 0.222 0.000 2.513 352 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 352 L C 1.206 178.217 176.870 0.235 0.000 1.187 352 L CA 1.247 56.222 54.840 0.225 0.000 0.895 352 L CB -0.443 41.742 42.059 0.209 0.000 1.147 352 L HN 0.388 nan 8.230 nan 0.000 0.483 353 G N 2.337 111.284 108.800 0.244 0.000 2.179 353 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 353 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 353 G C 0.508 175.532 174.900 0.207 0.000 0.977 353 G CA 0.364 45.603 45.100 0.232 0.000 0.641 353 G HN 0.797 nan 8.290 nan 0.000 0.533 354 S N -1.370 114.462 115.700 0.221 0.000 2.722 354 S HA 0.626 5.096 4.470 -0.000 0.000 0.292 354 S C 0.464 175.240 174.600 0.292 0.000 1.135 354 S CA 0.180 58.468 58.200 0.147 0.000 1.003 354 S CB 0.667 63.879 63.200 0.020 0.000 1.067 354 S HN 0.925 nan 8.310 nan 0.000 0.546 355 Y N -1.084 119.282 120.300 0.111 0.000 3.929 355 Y HA -0.204 4.346 4.550 -0.000 0.000 0.225 355 Y C 0.508 176.487 175.900 0.131 0.000 1.200 355 Y CA 0.177 58.340 58.100 0.105 0.000 1.791 355 Y CB -2.200 36.316 38.460 0.093 0.000 1.561 355 Y HN 0.598 nan 8.280 nan 0.000 0.657 356 I N -0.198 120.528 120.570 0.261 0.000 2.696 356 I HA 0.499 4.669 4.170 -0.000 0.000 0.284 356 I C 0.611 176.893 176.117 0.276 0.000 1.129 356 I CA 0.404 61.854 61.300 0.250 0.000 1.410 356 I CB 1.280 39.431 38.000 0.250 0.000 1.399 356 I HN 0.186 nan 8.210 nan 0.000 0.579 357 T N 1.796 116.466 114.554 0.193 0.000 2.886 357 T HA 0.646 4.996 4.350 -0.000 0.000 0.292 357 T C -0.676 174.042 174.700 0.029 0.000 1.012 357 T CA -0.716 61.486 62.100 0.170 0.000 0.982 357 T CB 2.077 70.980 68.868 0.059 0.000 1.018 357 T HN 0.797 nan 8.240 nan 0.000 0.451 358 E N 1.067 121.253 120.200 -0.025 0.000 2.317 358 E HA 0.384 4.734 4.350 -0.000 0.000 0.270 358 E C -1.020 175.678 176.600 0.163 0.000 0.885 358 E CA -0.647 55.696 56.400 -0.096 0.000 0.760 358 E CB 2.001 31.415 29.700 -0.477 0.000 1.227 358 E HN 0.680 nan 8.360 nan 0.000 0.434 359 Q N 0.997 120.910 119.800 0.187 0.000 2.293 359 Q HA 0.410 4.750 4.340 -0.000 0.000 0.251 359 Q C -0.462 175.725 176.000 0.311 0.000 0.930 359 Q CA -0.419 55.545 55.803 0.268 0.000 0.893 359 Q CB 1.366 30.307 28.738 0.339 0.000 1.215 359 Q HN 0.442 nan 8.270 nan 0.000 0.425 360 S N 1.549 117.366 115.700 0.195 0.000 2.564 360 S HA 0.300 4.770 4.470 -0.000 0.000 0.278 360 S C -0.761 173.890 174.600 0.085 0.000 1.333 360 S CA -0.382 57.815 58.200 -0.005 0.000 1.048 360 S CB 0.294 63.383 63.200 -0.184 0.000 0.900 360 S HN 0.364 nan 8.310 nan 0.000 0.505 361 L N 5.365 126.611 121.223 0.040 0.000 2.409 361 L HA 0.710 5.050 4.340 -0.000 0.000 0.272 361 L C -0.825 175.941 176.870 -0.173 0.000 0.980 361 L CA -0.632 54.135 54.840 -0.122 0.000 0.826 361 L CB 1.588 43.533 42.059 -0.191 0.000 1.268 361 L HN 0.438 nan 8.230 nan 0.000 0.407 362 V N 1.913 121.653 119.914 -0.291 0.000 2.769 362 V HA 0.759 4.879 4.120 -0.000 0.000 0.312 362 V C -0.987 175.007 176.094 -0.167 0.000 1.058 362 V CA -0.693 61.359 62.300 -0.414 0.000 0.952 362 V CB 1.710 33.102 31.823 -0.718 0.000 1.019 362 V HN 0.805 nan 8.190 nan 0.000 0.445 363 F N 4.176 123.938 119.950 -0.314 0.000 2.596 363 F HA 0.841 5.368 4.527 -0.000 0.000 0.311 363 F C -0.409 175.276 175.800 -0.191 0.000 1.116 363 F CA -0.359 57.537 58.000 -0.173 0.000 0.957 363 F CB 1.446 40.382 39.000 -0.106 0.000 1.250 363 F HN 1.203 nan 8.300 nan 0.000 0.444 364 C N 2.893 121.567 119.300 -1.042 0.000 3.332 364 C HA 0.808 5.268 4.460 -0.000 0.000 0.329 364 C C -1.637 172.797 174.990 -0.927 0.000 1.434 364 C CA -0.724 57.676 59.018 -1.031 0.000 1.314 364 C CB 1.731 29.081 27.740 -0.649 0.000 1.664 364 C HN 0.930 nan 8.230 nan 0.000 0.457 365 Q N 0.702 120.200 119.800 -0.503 0.000 2.345 365 Q HA 0.742 5.082 4.340 -0.000 0.000 0.268 365 Q C -0.348 175.683 176.000 0.052 0.000 1.054 365 Q CA -0.203 55.537 55.803 -0.106 0.000 0.835 365 Q CB 2.643 31.323 28.738 -0.096 0.000 1.339 365 Q HN 0.938 nan 8.270 nan 0.000 0.447 366 T N -2.269 112.400 114.554 0.191 0.000 2.942 366 T HA 0.773 5.123 4.350 -0.000 0.000 0.289 366 T C -0.114 174.647 174.700 0.101 0.000 1.044 366 T CA -0.616 61.569 62.100 0.141 0.000 1.023 366 T CB 1.204 70.177 68.868 0.175 0.000 1.123 366 T HN 0.281 nan 8.240 nan 0.000 0.512 370 T N 1.673 116.227 114.554 0.001 0.000 2.665 370 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 370 T C 1.533 176.242 174.700 0.015 0.000 1.035 370 T CA 2.191 64.296 62.100 0.008 0.000 1.151 370 T CB -0.676 68.193 68.868 0.002 0.000 0.862 370 T HN 0.785 nan 8.240 nan 0.000 0.438 371 E N 0.335 120.540 120.200 0.009 0.000 2.049 371 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 371 E C 2.192 178.811 176.600 0.031 0.000 1.007 371 E CA 1.111 57.519 56.400 0.014 0.000 0.809 371 E CB -0.232 29.470 29.700 0.002 0.000 0.749 371 E HN 0.408 nan 8.360 nan 0.000 0.450 372 L N 0.396 121.640 121.223 0.034 0.000 2.017 372 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 372 L C 2.421 179.329 176.870 0.063 0.000 1.073 372 L CA 0.483 55.356 54.840 0.055 0.000 0.745 372 L CB -0.368 41.723 42.059 0.053 0.000 0.894 372 L HN 0.300 nan 8.230 nan 0.000 0.432 373 I N 0.234 120.831 120.570 0.044 0.000 2.163 373 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 373 I C 2.219 178.368 176.117 0.055 0.000 1.085 373 I CA 1.592 62.916 61.300 0.040 0.000 1.347 373 I CB -1.270 36.747 38.000 0.028 0.000 1.044 373 I HN 0.283 nan 8.210 nan 0.000 0.408 374 D N 0.460 120.892 120.400 0.053 0.000 2.178 374 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 374 D C 2.374 178.726 176.300 0.087 0.000 0.980 374 D CA 1.614 55.650 54.000 0.061 0.000 0.842 374 D CB -0.212 40.615 40.800 0.045 0.000 0.948 374 D HN 0.410 nan 8.370 nan 0.000 0.472 375 S N 0.111 115.871 115.700 0.100 0.000 2.419 375 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 375 S C 2.171 176.918 174.600 0.245 0.000 1.016 375 S CA 0.781 59.072 58.200 0.152 0.000 0.974 375 S CB -0.551 62.731 63.200 0.136 0.000 0.786 375 S HN 0.093 nan 8.310 nan 0.000 0.492 376 V N 3.045 123.071 119.914 0.187 0.000 2.380 376 V HA -0.200 3.920 4.120 -0.000 0.000 0.251 376 V C 2.151 178.365 176.094 0.200 0.000 1.063 376 V CA 2.247 64.665 62.300 0.195 0.000 1.055 376 V CB -0.925 30.940 31.823 0.070 0.000 0.657 376 V HN 0.846 nan 8.190 nan 0.000 0.455 377 K N 0.165 120.661 120.400 0.159 0.000 2.593 377 K HA 0.206 4.526 4.320 -0.000 0.000 0.208 377 K C 1.474 178.152 176.600 0.130 0.000 1.051 377 K CA 0.655 57.025 56.287 0.139 0.000 1.111 377 K CB 0.287 32.849 32.500 0.102 0.000 0.849 377 K HN 0.403 nan 8.250 nan 0.000 0.479 378 S N -0.274 115.526 115.700 0.166 0.000 2.442 378 S HA -0.114 4.356 4.470 -0.000 0.000 0.236 378 S C 0.420 175.043 174.600 0.039 0.000 1.007 378 S CA 0.713 58.965 58.200 0.087 0.000 0.965 378 S CB -0.301 62.930 63.200 0.052 0.000 0.773 378 S HN 0.324 nan 8.310 nan 0.000 0.504 382 I N 2.734 123.293 120.570 -0.018 0.000 2.474 382 I HA 0.632 4.802 4.170 -0.000 0.000 0.294 382 I C 0.120 176.216 176.117 -0.034 0.000 1.005 382 I CA -0.757 60.512 61.300 -0.053 0.000 1.113 382 I CB 1.842 39.851 38.000 0.015 0.000 1.289 382 I HN 0.293 nan 8.210 nan 0.000 0.436 383 R N 3.563 124.015 120.500 -0.080 0.000 2.628 383 R HA 0.705 5.044 4.340 -0.000 0.000 0.288 383 R C -0.037 176.302 176.300 0.064 0.000 0.980 383 R CA -0.512 55.581 56.100 -0.013 0.000 0.891 383 R CB 2.121 32.402 30.300 -0.033 0.000 1.188 383 R HN 0.911 nan 8.270 nan 0.000 0.450 384 G N 1.172 110.042 108.800 0.116 0.000 2.698 384 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.233 384 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.233 384 G C -0.545 174.521 174.900 0.277 0.000 1.352 384 G CA -0.226 44.981 45.100 0.179 0.000 0.879 384 G HN 0.723 nan 8.290 nan 0.000 0.567 385 T N -1.228 113.443 114.554 0.195 0.000 2.887 385 T HA 0.712 5.062 4.350 -0.000 0.000 0.288 385 T C -2.796 171.693 174.700 -0.351 0.000 1.021 385 T CA -1.446 60.665 62.100 0.018 0.000 1.000 385 T CB 2.380 71.236 68.868 -0.019 0.000 1.034 385 T HN 0.544 nan 8.240 nan 0.000 0.467 386 P HA 0.235 nan 4.420 nan 0.000 0.263 386 P C 1.195 178.202 177.300 -0.489 0.000 1.175 386 P CA 1.446 63.854 63.100 -1.152 0.000 0.761 386 P CB 0.045 31.349 31.700 -0.659 0.000 0.794 387 G N 0.953 109.541 108.800 -0.353 0.000 2.175 387 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 387 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 387 G C 0.013 174.872 174.900 -0.068 0.000 0.982 387 G CA -0.305 44.708 45.100 -0.144 0.000 0.641 387 G HN 0.558 nan 8.290 nan 0.000 0.527 388 E N -0.418 119.755 120.200 -0.045 0.000 2.222 388 E HA 0.551 4.901 4.350 -0.000 0.000 0.272 388 E C 1.295 177.934 176.600 0.065 0.000 0.982 388 E CA -0.800 55.613 56.400 0.021 0.000 0.842 388 E CB 1.266 30.989 29.700 0.039 0.000 1.144 388 E HN 0.137 nan 8.360 nan 0.000 0.397 389 L N 0.549 121.802 121.223 0.049 0.000 2.275 389 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 389 L C 2.221 179.130 176.870 0.065 0.000 1.119 389 L CA 1.012 55.882 54.840 0.050 0.000 0.790 389 L CB -0.217 41.861 42.059 0.031 0.000 0.919 389 L HN 0.518 nan 8.230 nan 0.000 0.443 390 T N -1.791 112.809 114.554 0.077 0.000 3.107 390 T HA -0.027 4.323 4.350 -0.000 0.000 0.249 390 T C 0.272 175.037 174.700 0.108 0.000 1.096 390 T CA -0.332 61.812 62.100 0.073 0.000 1.012 390 T CB -0.159 68.742 68.868 0.056 0.000 0.977 390 T HN 0.103 nan 8.240 nan 0.000 0.527 391 Y N 2.493 122.794 120.300 0.002 0.000 2.526 391 Y HA 0.421 4.971 4.550 -0.000 0.000 0.330 391 Y C 0.177 176.079 175.900 0.004 0.000 1.156 391 Y CA -0.460 57.642 58.100 0.003 0.000 1.419 391 Y CB 0.359 38.819 38.460 0.001 0.000 1.250 391 Y HN 0.020 nan 8.280 nan 0.000 0.540 392 S N 5.392 120.772 115.700 -0.532 0.000 2.614 392 S HA 0.693 5.163 4.470 -0.000 0.000 0.275 392 S C -2.090 172.218 174.600 -0.487 0.000 1.161 392 S CA -0.708 57.249 58.200 -0.405 0.000 0.969 392 S CB 0.781 63.877 63.200 -0.173 0.000 1.059 392 S HN 0.485 nan 8.310 nan 0.000 0.482 393 V N 4.828 124.525 119.914 -0.360 0.000 2.444 393 V HA 0.755 4.875 4.120 -0.000 0.000 0.294 393 V C 0.084 176.147 176.094 -0.051 0.000 1.022 393 V CA -0.297 61.880 62.300 -0.206 0.000 0.850 393 V CB 1.402 33.124 31.823 -0.167 0.000 0.992 393 V HN 1.063 nan 8.190 nan 0.000 0.426 394 T N 1.903 116.459 114.554 0.004 0.000 2.841 394 T HA 0.872 5.222 4.350 -0.000 0.000 0.296 394 T C -1.013 173.784 174.700 0.161 0.000 1.166 394 T CA -0.805 61.329 62.100 0.058 0.000 1.007 394 T CB 2.288 71.133 68.868 -0.039 0.000 1.253 394 T HN 0.791 nan 8.240 nan 0.000 0.511 395 Y N -1.975 118.317 120.300 -0.013 0.000 2.625 395 Y HA 0.742 5.292 4.550 -0.000 0.000 0.338 395 Y C -0.935 174.958 175.900 -0.012 0.000 1.123 395 Y CA -1.270 56.825 58.100 -0.009 0.000 1.046 395 Y CB 1.026 39.489 38.460 0.005 0.000 1.299 395 Y HN 0.634 nan 8.280 nan 0.000 0.464 396 T N 4.208 118.743 114.554 -0.031 0.000 2.738 396 T HA 0.362 4.712 4.350 -0.000 0.000 0.298 396 T C -2.743 171.930 174.700 -0.045 0.000 0.962 396 T CA -1.291 60.738 62.100 -0.119 0.000 0.972 396 T CB 0.586 69.431 68.868 -0.038 0.000 0.928 396 T HN 0.348 nan 8.240 nan 0.000 0.474 397 P HA 0.210 nan 4.420 nan 0.000 0.264 397 P C 1.089 178.419 177.300 0.051 0.000 1.193 397 P CA 0.638 63.757 63.100 0.031 0.000 0.763 397 P CB 0.345 32.011 31.700 -0.056 0.000 0.810 398 G N 2.059 110.911 108.800 0.088 0.000 2.166 398 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 398 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 398 G C 0.484 175.394 174.900 0.016 0.000 0.986 398 G CA 0.036 45.161 45.100 0.041 0.000 0.683 398 G HN 0.856 nan 8.290 nan 0.000 0.527 399 A N 0.117 122.947 122.820 0.018 0.000 2.511 399 A HA 0.660 4.980 4.320 -0.000 0.000 0.242 399 A C 1.615 179.185 177.584 -0.022 0.000 1.069 399 A CA 1.131 53.166 52.037 -0.004 0.000 0.763 399 A CB 0.356 19.355 19.000 -0.001 0.000 1.001 399 A HN 0.946 nan 8.150 nan 0.000 0.498 400 S N 0.947 116.630 115.700 -0.027 0.000 2.423 400 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 400 S C 1.924 176.491 174.600 -0.055 0.000 1.014 400 S CA 1.761 59.939 58.200 -0.037 0.000 0.965 400 S CB -0.309 62.873 63.200 -0.029 0.000 0.785 400 S HN 1.030 nan 8.310 nan 0.000 0.495 401 T N -0.025 114.497 114.554 -0.053 0.000 3.113 401 T HA 0.102 4.452 4.350 -0.000 0.000 0.256 401 T C 0.525 175.163 174.700 -0.102 0.000 1.131 401 T CA -0.146 61.912 62.100 -0.070 0.000 1.074 401 T CB -0.365 68.471 68.868 -0.053 0.000 0.944 401 T HN 0.057 nan 8.240 nan 0.000 0.516 402 N N 2.247 120.886 118.700 -0.102 0.000 2.458 402 N HA 0.130 4.870 4.740 -0.000 0.000 0.258 402 N C 0.975 176.324 175.510 -0.269 0.000 1.219 402 N CA -0.024 52.932 53.050 -0.157 0.000 0.902 402 N CB 0.850 39.272 38.487 -0.109 0.000 1.076 402 N HN 0.301 nan 8.380 nan 0.000 0.455 403 K N 1.133 121.261 120.400 -0.453 0.000 2.361 403 K HA 0.032 4.352 4.320 -0.000 0.000 0.196 403 K C -0.153 175.917 176.600 -0.884 0.000 1.039 403 K CA 0.671 56.554 56.287 -0.674 0.000 1.001 403 K CB 0.183 32.151 32.500 -0.886 0.000 0.795 403 K HN 0.564 nan 8.250 nan 0.000 0.495 404 H N 0.399 119.151 119.070 -0.530 0.000 2.679 404 H HA 0.299 4.855 4.556 -0.000 0.000 0.367 404 H C -2.416 172.560 175.328 -0.587 0.000 1.162 404 H CA -2.711 52.834 56.048 -0.838 0.000 1.181 404 H CB 1.281 30.136 29.762 -1.513 0.000 1.693 404 H HN -0.103 nan 8.280 nan 0.000 0.538 405 P HA -0.007 nan 4.420 nan 0.000 0.272 405 P C 0.291 177.359 177.300 -0.387 0.000 1.230 405 P CA -0.208 62.655 63.100 -0.394 0.000 0.788 405 P CB 1.334 32.740 31.700 -0.489 0.000 0.949 406 D N 0.751 121.064 120.400 -0.146 0.000 2.116 406 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 406 D C 1.921 178.231 176.300 0.016 0.000 0.998 406 D CA 1.470 55.475 54.000 0.008 0.000 0.836 406 D CB -0.632 40.268 40.800 0.167 0.000 0.951 406 D HN 0.629 nan 8.370 nan 0.000 0.449 407 W N 0.226 121.597 121.300 0.118 0.000 2.350 407 W HA -0.170 4.490 4.660 -0.000 0.000 0.289 407 W C 1.940 178.537 176.519 0.130 0.000 1.215 407 W CA 0.372 57.783 57.345 0.111 0.000 1.236 407 W CB -1.257 28.262 29.460 0.098 0.000 1.130 407 W HN 0.108 nan 8.180 nan 0.000 0.541 408 W N 3.495 124.386 121.300 -0.681 0.000 2.444 408 W HA -0.114 4.546 4.660 -0.000 0.000 0.308 408 W C 1.935 178.218 176.519 -0.393 0.000 1.183 408 W CA 1.528 58.479 57.345 -0.656 0.000 1.340 408 W CB -1.104 27.672 29.460 -1.139 0.000 1.138 408 W HN -0.142 nan 8.180 nan 0.000 0.510 409 N N 1.158 119.823 118.700 -0.058 0.000 2.104 409 N HA -0.226 4.514 4.740 -0.000 0.000 0.190 409 N C 1.506 176.748 175.510 -0.446 0.000 1.024 409 N CA 2.109 54.912 53.050 -0.411 0.000 0.853 409 N CB -0.761 37.062 38.487 -1.108 0.000 1.008 409 N HN 0.245 nan 8.380 nan 0.000 0.424 410 E N 1.393 121.448 120.200 -0.241 0.000 2.085 410 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 410 E C 1.687 178.333 176.600 0.076 0.000 0.994 410 E CA 1.330 57.771 56.400 0.067 0.000 0.801 410 E CB 0.050 29.864 29.700 0.191 0.000 0.743 410 E HN 0.274 nan 8.360 nan 0.000 0.453 411 K N -0.478 119.960 120.400 0.063 0.000 2.026 411 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 411 K C 2.136 178.751 176.600 0.025 0.000 1.048 411 K CA 1.422 57.741 56.287 0.054 0.000 0.929 411 K CB -0.182 32.346 32.500 0.047 0.000 0.713 411 K HN 0.044 nan 8.250 nan 0.000 0.439 412 V N 2.059 121.956 119.914 -0.029 0.000 2.261 412 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 412 V C 2.424 178.562 176.094 0.073 0.000 1.047 412 V CA 1.735 64.034 62.300 -0.001 0.000 1.015 412 V CB -0.454 31.358 31.823 -0.019 0.000 0.642 412 V HN 0.364 nan 8.190 nan 0.000 0.446 413 K N 0.226 120.662 120.400 0.060 0.000 2.032 413 K HA -0.257 4.063 4.320 -0.000 0.000 0.209 413 K C 2.003 178.656 176.600 0.088 0.000 1.048 413 K CA 2.116 58.461 56.287 0.096 0.000 0.927 413 K CB -0.252 32.354 32.500 0.176 0.000 0.712 413 K HN 0.449 nan 8.250 nan 0.000 0.441 414 N N 0.414 119.172 118.700 0.096 0.000 2.142 414 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 414 N C 0.978 176.530 175.510 0.069 0.000 1.023 414 N CA 0.809 53.905 53.050 0.077 0.000 0.852 414 N CB -0.753 37.786 38.487 0.088 0.000 0.998 414 N HN 0.391 nan 8.380 nan 0.000 0.424 419 H N 1.358 120.322 119.070 -0.177 0.000 2.317 419 H HA 0.275 4.831 4.556 -0.000 0.000 0.231 419 H C 0.134 175.363 175.328 -0.165 0.000 1.442 419 H CA -0.063 55.882 56.048 -0.173 0.000 1.336 419 H CB 0.668 30.269 29.762 -0.267 0.000 1.533 419 H HN 0.241 nan 8.280 nan 0.000 0.522 420 Q N 0.743 120.526 119.800 -0.030 0.000 2.291 420 Q HA -0.119 4.221 4.340 -0.000 0.000 0.205 420 Q C 1.987 177.951 176.000 -0.061 0.000 0.970 420 Q CA 0.912 56.671 55.803 -0.074 0.000 0.876 420 Q CB 0.384 29.050 28.738 -0.120 0.000 0.935 420 Q HN 0.561 nan 8.270 nan 0.000 0.455 421 E N 1.265 121.471 120.200 0.010 0.000 2.347 421 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 421 E C -0.299 176.336 176.600 0.059 0.000 1.008 421 E CA 0.738 57.157 56.400 0.032 0.000 0.852 421 E CB -0.030 29.709 29.700 0.066 0.000 0.783 421 E HN 0.167 nan 8.360 nan 0.000 0.505 422 D N 1.961 122.409 120.400 0.079 0.000 2.249 422 D HA 0.121 4.761 4.640 -0.000 0.000 0.246 422 D C -1.532 174.817 176.300 0.081 0.000 1.114 422 D CA -2.133 51.936 54.000 0.116 0.000 0.854 422 D CB 1.568 42.465 40.800 0.162 0.000 1.132 422 D HN -0.149 nan 8.370 nan 0.000 0.461 423 P HA 0.065 nan 4.420 nan 0.000 0.241 423 P C -0.169 177.178 177.300 0.078 0.000 1.191 423 P CA 0.245 63.383 63.100 0.065 0.000 0.771 423 P CB 0.417 32.148 31.700 0.052 0.000 0.929 424 L N 1.744 123.030 121.223 0.106 0.000 2.325 424 L HA 0.358 4.698 4.340 -0.000 0.000 0.278 424 L C -1.376 175.555 176.870 0.103 0.000 1.023 424 L CA -2.243 52.642 54.840 0.075 0.000 0.811 424 L CB 2.520 44.599 42.059 0.034 0.000 1.249 424 L HN -0.286 nan 8.230 nan 0.000 0.431 425 P HA 0.073 nan 4.420 nan 0.000 0.249 425 P C 0.213 177.423 177.300 -0.149 0.000 1.229 425 P CA 0.483 63.615 63.100 0.054 0.000 0.788 425 P CB 0.290 32.017 31.700 0.045 0.000 1.072 426 I N 2.548 122.946 120.570 -0.286 0.000 2.379 426 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 426 I C -2.063 173.585 176.117 -0.781 0.000 1.063 426 I CA -2.560 58.494 61.300 -0.410 0.000 1.351 426 I CB 0.256 38.107 38.000 -0.248 0.000 1.410 426 I HN -0.243 nan 8.210 nan 0.000 0.505 427 P HA -0.071 nan 4.420 nan 0.000 0.264 427 P C 0.433 177.492 177.300 -0.402 0.000 1.179 427 P CA 0.168 62.869 63.100 -0.665 0.000 0.763 427 P CB 0.285 31.843 31.700 -0.235 0.000 0.806 428 F N 1.173 121.007 119.950 -0.194 0.000 2.154 428 F HA -0.159 4.368 4.527 -0.000 0.000 0.301 428 F C 1.712 177.481 175.800 -0.051 0.000 1.087 428 F CA 1.591 59.532 58.000 -0.098 0.000 1.274 428 F CB -0.993 37.962 39.000 -0.075 0.000 1.009 428 F HN 0.422 nan 8.300 nan 0.000 0.485 429 E N -0.489 119.801 120.200 0.151 0.000 2.451 429 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 429 E C -0.284 176.344 176.600 0.047 0.000 1.027 429 E CA -0.246 56.214 56.400 0.100 0.000 0.914 429 E CB -0.185 29.575 29.700 0.099 0.000 1.054 429 E HN 0.181 nan 8.360 nan 0.000 0.461 430 D N 2.600 123.007 120.400 0.011 0.000 2.434 430 D HA 0.027 4.667 4.640 -0.000 0.000 0.252 430 D C -2.312 174.014 176.300 0.043 0.000 1.185 430 D CA -1.557 52.438 54.000 -0.010 0.000 0.886 430 D CB 0.765 41.521 40.800 -0.074 0.000 1.148 430 D HN -0.117 nan 8.370 nan 0.000 0.483 431 P HA 0.050 nan 4.420 nan 0.000 0.269 431 P C -0.399 177.024 177.300 0.206 0.000 1.215 431 P CA -0.272 62.932 63.100 0.173 0.000 0.780 431 P CB 0.405 32.211 31.700 0.177 0.000 0.898 432 E N 2.567 122.895 120.200 0.215 0.000 2.371 432 E HA 0.252 4.601 4.350 -0.000 0.000 0.257 432 E C -2.532 174.087 176.600 0.033 0.000 1.134 432 E CA -2.082 54.374 56.400 0.093 0.000 0.919 432 E CB -1.006 28.727 29.700 0.055 0.000 1.025 432 E HN 0.226 nan 8.360 nan 0.000 0.438 433 P HA 0.096 nan 4.420 nan 0.000 0.272 433 P C -0.475 176.819 177.300 -0.010 0.000 1.230 433 P CA -0.072 63.083 63.100 0.090 0.000 0.788 433 P CB 0.399 32.113 31.700 0.024 0.000 0.949 434 Q N 0.515 120.417 119.800 0.170 0.000 3.557 434 Q HA 0.284 4.624 4.340 -0.000 0.000 0.264 434 Q C -1.162 174.928 176.000 0.149 0.000 0.850 434 Q CA -0.219 55.568 55.803 -0.026 0.000 0.833 434 Q CB 0.996 29.453 28.738 -0.469 0.000 1.505 434 Q HN 0.173 nan 8.270 nan 0.000 0.402 435 V N 0.563 120.517 119.914 0.066 0.000 2.630 435 V HA 0.721 4.841 4.120 -0.000 0.000 0.305 435 V C 0.195 176.295 176.094 0.009 0.000 1.046 435 V CA -0.344 61.981 62.300 0.042 0.000 0.934 435 V CB 2.019 33.806 31.823 -0.061 0.000 1.003 435 V HN 0.405 nan 8.190 nan 0.000 0.451 436 T N 1.791 116.379 114.554 0.056 0.000 2.916 436 T HA 0.480 4.830 4.350 -0.000 0.000 0.305 436 T C -0.927 173.727 174.700 -0.077 0.000 1.119 436 T CA -0.321 61.760 62.100 -0.031 0.000 1.008 436 T CB 1.800 70.630 68.868 -0.063 0.000 1.129 436 T HN 0.841 nan 8.240 nan 0.000 0.480 437 T N 4.779 119.165 114.554 -0.281 0.000 2.772 437 T HA 0.625 4.975 4.350 -0.000 0.000 0.288 437 T C -0.178 174.379 174.700 -0.238 0.000 0.994 437 T CA -0.606 61.185 62.100 -0.515 0.000 0.951 437 T CB -0.085 68.066 68.868 -1.196 0.000 0.933 437 T HN 0.514 nan 8.240 nan 0.000 0.447 438 L N 4.562 125.714 121.223 -0.118 0.000 2.436 438 L HA 0.429 4.769 4.340 -0.000 0.000 0.265 438 L C 0.734 177.583 176.870 -0.036 0.000 1.168 438 L CA -0.990 53.857 54.840 0.012 0.000 0.815 438 L CB 0.317 42.392 42.059 0.027 0.000 1.109 438 L HN 0.659 nan 8.230 nan 0.000 0.462 439 F N 2.628 122.484 119.950 -0.156 0.000 2.579 439 F HA -0.096 4.431 4.527 -0.000 0.000 0.397 439 F C 0.275 175.801 175.800 -0.456 0.000 1.027 439 F CA 0.519 58.333 58.000 -0.311 0.000 1.217 439 F CB 0.176 39.065 39.000 -0.186 0.000 0.986 439 F HN 0.427 nan 8.300 nan 0.000 0.551 440 Q N 6.747 125.977 119.800 -0.949 0.000 2.456 440 Q HA 0.252 4.592 4.340 -0.000 0.000 0.283 440 Q C -1.915 173.592 176.000 -0.822 0.000 1.084 440 Q CA -1.890 53.482 55.803 -0.719 0.000 0.801 440 Q CB 1.415 29.665 28.738 -0.813 0.000 1.434 440 Q HN 0.273 nan 8.270 nan 0.000 0.419 441 P HA -0.204 nan 4.420 nan 0.000 0.218 441 P C 0.959 178.048 177.300 -0.353 0.000 1.150 441 P CA 1.960 64.874 63.100 -0.309 0.000 0.841 441 P CB 0.272 31.891 31.700 -0.134 0.000 0.784 442 S N -2.341 113.157 115.700 -0.337 0.000 2.548 442 S HA -0.028 4.442 4.470 -0.000 0.000 0.215 442 S C 0.461 174.893 174.600 -0.279 0.000 0.976 442 S CA -0.143 57.941 58.200 -0.194 0.000 0.908 442 S CB -1.090 62.097 63.200 -0.021 0.000 0.781 442 S HN 0.446 nan 8.310 nan 0.000 0.519 443 H N -1.214 117.384 119.070 -0.787 0.000 2.562 443 H HA 0.430 4.986 4.556 -0.000 0.000 0.230 443 H C -3.253 170.925 175.328 -1.917 0.000 1.415 443 H CA -1.750 53.403 56.048 -1.491 0.000 1.454 443 H CB 0.348 29.515 29.762 -0.992 0.000 1.716 443 H HN 0.037 nan 8.280 nan 0.000 0.538 444 P HA 0.051 nan 4.420 nan 0.000 0.226 444 P C -1.213 175.527 177.300 -0.933 0.000 1.783 444 P CA 0.287 62.324 63.100 -1.772 0.000 0.980 444 P CB -1.112 30.071 31.700 -0.861 0.000 1.967 445 W N -0.675 120.334 121.300 -0.485 0.000 3.167 445 W HA 0.508 5.168 4.660 -0.000 0.000 0.324 445 W C -0.849 175.742 176.519 0.119 0.000 1.230 445 W CA -1.324 56.040 57.345 0.032 0.000 1.184 445 W CB 0.048 29.547 29.460 0.064 0.000 1.414 445 W HN -0.029 nan 8.180 nan 0.000 0.551 446 H N 1.245 120.564 119.070 0.414 0.000 2.562 446 H HA 0.636 5.191 4.556 -0.000 0.000 0.352 446 H C 0.024 175.497 175.328 0.241 0.000 1.125 446 H CA 0.711 56.903 56.048 0.239 0.000 1.379 446 H CB 1.299 31.128 29.762 0.111 0.000 1.464 446 H HN 0.584 nan 8.280 nan 0.000 0.563 447 T N 2.083 116.246 114.554 -0.651 0.000 2.907 447 T HA 0.536 4.886 4.350 -0.000 0.000 0.292 447 T C -0.778 173.629 174.700 -0.488 0.000 1.043 447 T CA -1.109 60.677 62.100 -0.522 0.000 1.003 447 T CB 1.775 70.245 68.868 -0.664 0.000 1.084 447 T HN 0.673 nan 8.240 nan 0.000 0.483 448 Q N 1.343 121.066 119.800 -0.129 0.000 2.275 448 Q HA 0.484 4.824 4.340 -0.000 0.000 0.258 448 Q C -1.453 174.476 176.000 -0.118 0.000 0.960 448 Q CA -0.473 55.197 55.803 -0.222 0.000 0.801 448 Q CB 2.359 30.879 28.738 -0.363 0.000 1.302 448 Q HN 0.714 nan 8.270 nan 0.000 0.433 449 I N 3.891 124.354 120.570 -0.178 0.000 2.464 449 I HA 0.377 4.547 4.170 -0.000 0.000 0.277 449 I C -0.284 175.760 176.117 -0.121 0.000 1.040 449 I CA -0.185 60.904 61.300 -0.353 0.000 1.153 449 I CB 0.400 38.041 38.000 -0.599 0.000 1.274 449 I HN 0.715 nan 8.210 nan 0.000 0.469 450 H N 3.700 122.626 119.070 -0.239 0.000 3.001 450 H HA 0.631 5.187 4.556 -0.000 0.000 0.266 450 H C -1.060 174.224 175.328 -0.074 0.000 1.532 450 H CA -1.338 54.632 56.048 -0.130 0.000 1.187 450 H CB 1.349 31.060 29.762 -0.085 0.000 1.881 450 H HN 0.083 nan 8.280 nan 0.000 0.643 451 R N 1.527 121.870 120.500 -0.262 0.000 2.412 451 R HA 0.215 4.555 4.340 -0.000 0.000 0.304 451 R C -1.378 174.744 176.300 -0.298 0.000 1.066 451 R CA -0.655 55.284 56.100 -0.268 0.000 0.923 451 R CB 1.175 31.437 30.300 -0.062 0.000 1.156 451 R HN 0.674 nan 8.270 nan 0.000 0.513 452 D N 1.402 121.554 120.400 -0.413 0.000 2.302 452 D HA 0.229 4.869 4.640 -0.000 0.000 0.248 452 D C 1.019 177.404 176.300 0.141 0.000 1.094 452 D CA 0.009 53.925 54.000 -0.139 0.000 0.897 452 D CB 1.794 42.571 40.800 -0.039 0.000 1.200 452 D HN 0.480 nan 8.370 nan 0.000 0.429 453 A N 4.808 127.729 122.820 0.168 0.000 1.859 453 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 453 A C 1.240 179.052 177.584 0.379 0.000 1.198 453 A CA 0.777 52.978 52.037 0.273 0.000 0.629 453 A CB -0.843 18.312 19.000 0.259 0.000 0.830 453 A HN 0.676 nan 8.150 nan 0.000 0.446 454 F N 0.563 120.595 119.950 0.138 0.000 2.657 454 F HA 0.149 4.676 4.527 -0.000 0.000 0.347 454 F C 1.430 177.255 175.800 0.042 0.000 1.180 454 F CA 1.367 59.399 58.000 0.053 0.000 1.383 454 F CB 0.244 39.237 39.000 -0.013 0.000 1.077 454 F HN 0.353 nan 8.300 nan 0.000 0.622 455 S N 2.684 118.101 115.700 -0.472 0.000 3.608 455 S HA -0.270 4.200 4.470 -0.000 0.000 0.382 455 S C -0.897 173.632 174.600 -0.119 0.000 0.945 455 S CA 0.218 58.244 58.200 -0.291 0.000 1.256 455 S CB -1.715 61.334 63.200 -0.253 0.000 0.913 455 S HN 0.580 nan 8.310 nan 0.000 0.518 456 Y N 0.522 120.723 120.300 -0.165 0.000 2.326 456 Y HA 0.616 5.166 4.550 -0.000 0.000 0.337 456 Y C 1.030 176.876 175.900 -0.089 0.000 1.023 456 Y CA 0.437 58.489 58.100 -0.079 0.000 1.143 456 Y CB 1.721 40.153 38.460 -0.047 0.000 1.183 456 Y HN 0.456 nan 8.280 nan 0.000 0.485 457 G N 0.718 109.536 108.800 0.029 0.000 2.680 457 G HA2 0.660 4.620 3.960 -0.000 0.000 0.290 457 G HA3 0.660 4.620 3.960 -0.000 0.000 0.290 457 G C -1.441 173.477 174.900 0.030 0.000 1.355 457 G CA -0.852 44.254 45.100 0.011 0.000 0.903 457 G HN 0.688 nan 8.290 nan 0.000 0.474 458 A N 0.269 123.102 122.820 0.022 0.000 3.308 458 A HA 0.537 4.857 4.320 -0.000 0.000 0.275 458 A C 0.699 178.292 177.584 0.016 0.000 0.950 458 A CA 0.273 52.326 52.037 0.028 0.000 0.987 458 A CB 0.027 19.049 19.000 0.036 0.000 1.146 458 A HN 1.628 nan 8.150 nan 0.000 0.488 459 V N -2.595 117.325 119.914 0.010 0.000 3.250 459 V HA 0.039 4.158 4.120 -0.000 0.000 0.240 459 V C 1.520 177.619 176.094 0.008 0.000 1.275 459 V CA 0.980 63.284 62.300 0.008 0.000 1.206 459 V CB -0.487 31.338 31.823 0.004 0.000 0.976 459 V HN 0.578 nan 8.190 nan 0.000 0.467 460 Q N 2.320 122.123 119.800 0.005 0.000 2.444 460 Q HA -0.078 4.261 4.340 -0.000 0.000 0.206 460 Q C 1.740 177.745 176.000 0.008 0.000 0.948 460 Q CA 0.999 56.804 55.803 0.004 0.000 0.946 460 Q CB -0.358 28.378 28.738 -0.004 0.000 1.027 460 Q HN 0.923 nan 8.270 nan 0.000 0.513 461 Q N 0.111 119.921 119.800 0.017 0.000 2.431 461 Q HA 0.094 4.434 4.340 -0.000 0.000 0.210 461 Q C 1.263 177.279 176.000 0.027 0.000 0.958 461 Q CA 0.570 56.391 55.803 0.030 0.000 0.957 461 Q CB 0.211 28.977 28.738 0.046 0.000 1.007 461 Q HN 0.110 nan 8.270 nan 0.000 0.511 462 S N -0.173 115.538 115.700 0.020 0.000 2.489 462 S HA 0.119 4.589 4.470 -0.000 0.000 0.228 462 S C 0.497 175.109 174.600 0.021 0.000 0.995 462 S CA -0.074 58.137 58.200 0.019 0.000 0.934 462 S CB 0.094 63.303 63.200 0.014 0.000 0.771 462 S HN 0.421 nan 8.310 nan 0.000 0.522 463 I N 2.227 122.809 120.570 0.020 0.000 2.331 463 I HA 0.185 4.355 4.170 -0.000 0.000 0.292 463 I C 0.195 176.329 176.117 0.030 0.000 0.998 463 I CA -0.471 60.842 61.300 0.022 0.000 1.267 463 I CB 1.060 39.069 38.000 0.015 0.000 1.386 463 I HN 0.055 nan 8.210 nan 0.000 0.476 464 D N 4.304 124.727 120.400 0.038 0.000 2.531 464 D HA -0.090 4.550 4.640 -0.000 0.000 0.239 464 D C 1.264 177.593 176.300 0.048 0.000 1.144 464 D CA 0.333 54.364 54.000 0.051 0.000 0.869 464 D CB 0.976 41.813 40.800 0.063 0.000 1.160 464 D HN 0.701 nan 8.370 nan 0.000 0.484 465 S N 4.164 119.899 115.700 0.058 0.000 2.469 465 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 465 S C 1.622 176.252 174.600 0.051 0.000 0.998 465 S CA 0.499 58.733 58.200 0.056 0.000 0.957 465 S CB 0.020 63.274 63.200 0.091 0.000 0.764 465 S HN 0.533 nan 8.310 nan 0.000 0.514 466 R N 0.526 121.058 120.500 0.053 0.000 2.189 466 R HA 0.204 4.544 4.340 -0.000 0.000 0.223 466 R C 1.802 178.113 176.300 0.019 0.000 1.092 466 R CA 1.120 57.239 56.100 0.031 0.000 0.989 466 R CB -0.464 29.846 30.300 0.016 0.000 0.876 466 R HN 0.459 nan 8.270 nan 0.000 0.457 467 L N 0.367 121.605 121.223 0.025 0.000 2.418 467 L HA 0.105 4.445 4.340 -0.000 0.000 0.218 467 L C 0.706 177.594 176.870 0.031 0.000 1.125 467 L CA 0.249 55.104 54.840 0.025 0.000 0.835 467 L CB 0.041 42.115 42.059 0.026 0.000 0.953 467 L HN 0.066 nan 8.230 nan 0.000 0.454 468 I N 0.366 120.950 120.570 0.024 0.000 2.365 468 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 468 I C -0.555 175.573 176.117 0.019 0.000 1.004 468 I CA -0.339 60.973 61.300 0.020 0.000 1.311 468 I CB 1.643 39.635 38.000 -0.013 0.000 1.401 468 I HN -0.279 nan 8.210 nan 0.000 0.491 469 V N 5.035 124.982 119.914 0.056 0.000 2.656 469 V HA 0.318 4.438 4.120 -0.000 0.000 0.307 469 V C -0.666 175.446 176.094 0.031 0.000 1.051 469 V CA -0.914 61.391 62.300 0.008 0.000 0.893 469 V CB 2.039 33.860 31.823 -0.002 0.000 0.999 469 V HN 0.588 nan 8.190 nan 0.000 0.426 470 D N 2.491 122.858 120.400 -0.054 0.000 2.264 470 D HA 0.419 5.059 4.640 -0.000 0.000 0.249 470 D C -0.974 175.327 176.300 0.002 0.000 1.070 470 D CA 0.043 54.077 54.000 0.056 0.000 0.912 470 D CB 1.337 42.213 40.800 0.126 0.000 1.193 470 D HN 0.471 nan 8.370 nan 0.000 0.427 471 W N 1.035 122.371 121.300 0.060 0.000 2.554 471 W HA 0.403 5.063 4.660 -0.000 0.000 0.324 471 W C 0.149 176.782 176.519 0.190 0.000 1.018 471 W CA -0.834 56.589 57.345 0.130 0.000 1.243 471 W CB 1.298 30.725 29.460 -0.055 0.000 1.345 471 W HN -0.080 nan 8.180 nan 0.000 0.441 472 R N 3.072 123.872 120.500 0.500 0.000 2.451 472 R HA 0.503 4.843 4.340 -0.000 0.000 0.307 472 R C -1.479 175.053 176.300 0.387 0.000 0.965 472 R CA -0.890 55.392 56.100 0.303 0.000 0.865 472 R CB 1.585 31.986 30.300 0.168 0.000 1.174 472 R HN 0.167 nan 8.270 nan 0.000 0.455 473 F N 3.037 122.894 119.950 -0.155 0.000 2.436 473 F HA 0.491 5.018 4.527 -0.000 0.000 0.340 473 F C -0.286 175.436 175.800 -0.130 0.000 1.113 473 F CA -1.374 56.607 58.000 -0.031 0.000 1.022 473 F CB 1.017 39.929 39.000 -0.147 0.000 1.128 473 F HN 0.298 nan 8.300 nan 0.000 0.466 474 F N 1.350 121.473 119.950 0.289 0.000 2.477 474 F HA 0.654 5.181 4.527 -0.000 0.000 0.335 474 F C 0.605 176.592 175.800 0.313 0.000 1.130 474 F CA -1.165 57.006 58.000 0.284 0.000 0.948 474 F CB 1.468 40.680 39.000 0.354 0.000 1.154 474 F HN 0.519 nan 8.300 nan 0.000 0.439 475 G N 2.089 111.129 108.800 0.400 0.000 2.462 475 G HA2 0.641 4.601 3.960 -0.000 0.000 0.319 475 G HA3 0.641 4.601 3.960 -0.000 0.000 0.319 475 G C -0.779 174.299 174.900 0.298 0.000 1.171 475 G CA -1.050 44.266 45.100 0.360 0.000 0.920 475 G HN 0.713 nan 8.290 nan 0.000 0.499 476 R N -1.041 119.624 120.500 0.276 0.000 2.536 476 R HA 0.696 5.036 4.340 -0.000 0.000 0.279 476 R C -1.059 175.325 176.300 0.141 0.000 1.001 476 R CA -0.575 55.606 56.100 0.136 0.000 1.027 476 R CB 1.233 31.618 30.300 0.142 0.000 1.096 476 R HN 0.275 nan 8.270 nan 0.000 0.502 477 T N 2.187 116.791 114.554 0.084 0.000 2.840 477 T HA 0.120 4.470 4.350 -0.000 0.000 0.287 477 T C -0.889 173.882 174.700 0.118 0.000 0.991 477 T CA -0.863 61.341 62.100 0.173 0.000 0.964 477 T CB 1.162 70.203 68.868 0.289 0.000 0.954 477 T HN 0.682 nan 8.240 nan 0.000 0.438 478 E N 4.072 124.347 120.200 0.125 0.000 2.417 478 E HA 0.138 4.488 4.350 -0.000 0.000 0.261 478 E C -2.472 174.202 176.600 0.123 0.000 1.000 478 E CA -1.728 54.737 56.400 0.108 0.000 0.919 478 E CB -0.029 29.729 29.700 0.096 0.000 0.955 478 E HN 0.216 nan 8.360 nan 0.000 0.455 479 P HA 0.082 nan 4.420 nan 0.000 0.271 479 P C -0.783 176.665 177.300 0.246 0.000 1.233 479 P CA 0.045 63.274 63.100 0.215 0.000 0.764 479 P CB 0.572 32.414 31.700 0.235 0.000 0.825 480 K N 2.732 123.220 120.400 0.147 0.000 2.324 480 K HA 0.166 4.486 4.320 -0.000 0.000 0.253 480 K C 1.038 177.485 176.600 -0.255 0.000 0.932 480 K CA -0.709 55.587 56.287 0.014 0.000 0.799 480 K CB 2.285 34.757 32.500 -0.047 0.000 1.154 480 K HN 0.457 nan 8.250 nan 0.000 0.425 481 E N 2.219 122.109 120.200 -0.518 0.000 2.160 481 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 481 E C 1.049 177.395 176.600 -0.423 0.000 0.991 481 E CA 1.565 57.413 56.400 -0.920 0.000 0.810 481 E CB 0.438 29.766 29.700 -0.620 0.000 0.742 481 E HN 0.546 nan 8.360 nan 0.000 0.466 482 E N 0.396 120.452 120.200 -0.240 0.000 2.358 482 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 482 E C -0.077 176.461 176.600 -0.104 0.000 1.010 482 E CA 0.208 56.521 56.400 -0.145 0.000 0.856 482 E CB -0.256 29.375 29.700 -0.115 0.000 0.795 482 E HN 0.099 nan 8.360 nan 0.000 0.504 483 N N 2.024 120.655 118.700 -0.114 0.000 2.411 483 N HA 0.179 4.919 4.740 -0.000 0.000 0.259 483 N C -0.710 174.866 175.510 0.109 0.000 1.103 483 N CA 0.178 53.215 53.050 -0.022 0.000 0.954 483 N CB 1.130 39.577 38.487 -0.066 0.000 1.085 483 N HN 0.111 nan 8.380 nan 0.000 0.485 484 K N 1.195 121.714 120.400 0.198 0.000 2.469 484 K HA 0.453 4.773 4.320 -0.000 0.000 0.254 484 K C -1.177 175.567 176.600 0.241 0.000 0.939 484 K CA -0.890 55.529 56.287 0.219 0.000 0.812 484 K CB 2.412 35.054 32.500 0.236 0.000 1.301 484 K HN 0.202 nan 8.250 nan 0.000 0.433 485 L N 4.104 125.410 121.223 0.139 0.000 2.305 485 L HA 0.582 4.922 4.340 -0.000 0.000 0.284 485 L C -1.260 175.517 176.870 -0.155 0.000 1.013 485 L CA -0.070 54.668 54.840 -0.170 0.000 0.819 485 L CB 0.523 42.465 42.059 -0.195 0.000 1.227 485 L HN 0.685 nan 8.230 nan 0.000 0.417 486 W N 3.488 124.491 121.300 -0.495 0.000 3.055 486 W HA 0.652 5.311 4.660 -0.000 0.000 0.340 486 W C -2.125 173.949 176.519 -0.741 0.000 1.180 486 W CA -1.226 55.877 57.345 -0.403 0.000 1.077 486 W CB 0.878 30.263 29.460 -0.125 0.000 1.479 486 W HN 0.323 nan 8.180 nan 0.000 0.593 487 F N 1.323 121.449 119.950 0.294 0.000 2.547 487 F HA 0.339 4.866 4.527 -0.000 0.000 0.316 487 F C 0.710 176.663 175.800 0.254 0.000 1.121 487 F CA -0.923 57.133 58.000 0.094 0.000 0.911 487 F CB 2.114 41.157 39.000 0.072 0.000 1.179 487 F HN 0.235 nan 8.300 nan 0.000 0.443 488 S N 1.135 116.987 115.700 0.253 0.000 2.562 488 S HA 0.048 4.518 4.470 -0.000 0.000 0.281 488 S C 0.741 175.492 174.600 0.251 0.000 1.333 488 S CA -0.509 57.864 58.200 0.288 0.000 1.052 488 S CB 0.311 63.592 63.200 0.136 0.000 0.884 488 S HN 0.675 nan 8.310 nan 0.000 0.506 489 D N 3.047 123.581 120.400 0.224 0.000 2.328 489 D HA 0.123 4.763 4.640 -0.000 0.000 0.226 489 D C 0.940 177.305 176.300 0.107 0.000 1.066 489 D CA 0.519 54.605 54.000 0.144 0.000 0.861 489 D CB 0.171 41.037 40.800 0.110 0.000 0.912 489 D HN 0.491 nan 8.370 nan 0.000 0.521 490 K N -0.899 119.570 120.400 0.114 0.000 2.485 490 K HA 0.292 4.612 4.320 -0.000 0.000 0.200 490 K C -0.012 176.633 176.600 0.075 0.000 1.344 490 K CA -0.244 56.095 56.287 0.085 0.000 0.948 490 K CB 0.879 33.431 32.500 0.085 0.000 1.454 490 K HN -0.048 nan 8.250 nan 0.000 0.502 491 I N 2.149 122.768 120.570 0.081 0.000 2.428 491 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 491 I C 0.159 176.316 176.117 0.067 0.000 1.019 491 I CA -0.092 61.246 61.300 0.064 0.000 1.351 491 I CB 1.681 39.712 38.000 0.051 0.000 1.412 491 I HN 0.155 nan 8.210 nan 0.000 0.513 492 T N 0.860 115.449 114.554 0.059 0.000 2.912 492 T HA 0.598 4.948 4.350 -0.000 0.000 0.288 492 T C -0.450 174.290 174.700 0.068 0.000 1.030 492 T CA -1.015 61.125 62.100 0.067 0.000 1.020 492 T CB 1.692 70.594 68.868 0.056 0.000 1.056 492 T HN 0.542 nan 8.240 nan 0.000 0.480 493 D N 1.015 121.472 120.400 0.094 0.000 2.469 493 D HA 0.435 5.075 4.640 -0.000 0.000 0.278 493 D C 1.542 177.896 176.300 0.090 0.000 1.231 493 D CA -0.454 53.611 54.000 0.108 0.000 1.075 493 D CB -0.095 40.806 40.800 0.169 0.000 1.121 493 D HN 0.637 nan 8.370 nan 0.000 0.571 494 A N -1.525 121.349 122.820 0.091 0.000 2.168 494 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 494 A C 1.052 178.497 177.584 -0.233 0.000 1.152 494 A CA 0.690 52.691 52.037 -0.059 0.000 0.716 494 A CB -0.896 18.047 19.000 -0.095 0.000 0.794 494 A HN 0.540 nan 8.150 nan 0.000 0.465 495 Y N 0.040 120.360 120.300 0.033 0.000 2.658 495 Y HA 0.236 4.786 4.550 -0.000 0.000 0.276 495 Y C 0.282 176.200 175.900 0.030 0.000 1.167 495 Y CA -0.410 57.711 58.100 0.035 0.000 1.230 495 Y CB -0.513 37.954 38.460 0.012 0.000 1.144 495 Y HN 0.434 nan 8.280 nan 0.000 0.529 499 Q N 4.320 124.227 119.800 0.178 0.000 2.286 499 Q HA 0.342 4.682 4.340 -0.000 0.000 0.267 499 Q C -2.164 173.839 176.000 0.004 0.000 1.028 499 Q CA -1.230 54.636 55.803 0.106 0.000 0.901 499 Q CB 0.575 29.324 28.738 0.019 0.000 1.183 499 Q HN 0.130 nan 8.270 nan 0.000 0.392 500 P HA 0.066 nan 4.420 nan 0.000 0.268 500 P C -1.070 175.761 177.300 -0.782 0.000 1.204 500 P CA -0.007 62.722 63.100 -0.618 0.000 0.768 500 P CB 0.931 32.368 31.700 -0.439 0.000 0.842 501 T N 3.369 117.216 114.554 -1.178 0.000 2.921 501 T HA 0.493 4.843 4.350 -0.000 0.000 0.297 501 T C -0.554 173.452 174.700 -1.157 0.000 1.013 501 T CA -0.171 61.228 62.100 -1.168 0.000 0.990 501 T CB 0.573 68.410 68.868 -1.719 0.000 1.023 501 T HN 0.084 nan 8.240 nan 0.000 0.447 502 F N 1.883 121.550 119.950 -0.472 0.000 2.421 502 F HA 0.464 4.991 4.527 -0.000 0.000 0.337 502 F C 0.667 176.414 175.800 -0.089 0.000 1.105 502 F CA -0.672 57.182 58.000 -0.243 0.000 1.049 502 F CB 1.228 40.133 39.000 -0.158 0.000 1.139 502 F HN 0.408 nan 8.300 nan 0.000 0.479 503 D N 4.344 124.908 120.400 0.274 0.000 2.412 503 D HA 0.185 4.825 4.640 -0.000 0.000 0.276 503 D C -1.656 174.774 176.300 0.216 0.000 1.196 503 D CA -0.080 54.072 54.000 0.254 0.000 0.905 503 D CB 0.257 41.249 40.800 0.320 0.000 1.081 503 D HN 0.292 nan 8.370 nan 0.000 0.502 504 F N 2.465 122.416 119.950 0.001 0.000 2.556 504 F HA 0.657 5.184 4.527 -0.000 0.000 0.314 504 F C -0.966 174.726 175.800 -0.179 0.000 1.106 504 F CA -0.787 57.145 58.000 -0.113 0.000 0.911 504 F CB 1.526 40.397 39.000 -0.215 0.000 1.190 504 F HN 0.023 nan 8.300 nan 0.000 0.448 505 R N 4.171 124.059 120.500 -1.020 0.000 2.584 505 R HA 0.450 4.790 4.340 -0.000 0.000 0.276 505 R C -1.784 173.887 176.300 -1.050 0.000 1.046 505 R CA -0.774 54.893 56.100 -0.722 0.000 0.906 505 R CB 1.129 31.238 30.300 -0.319 0.000 1.215 505 R HN 0.590 nan 8.270 nan 0.000 0.449 506 F N 4.753 124.477 119.950 -0.377 0.000 2.571 506 F HA 0.186 4.713 4.527 -0.000 0.000 0.384 506 F C -1.327 174.356 175.800 -0.194 0.000 1.058 506 F CA -0.804 57.076 58.000 -0.200 0.000 1.200 506 F CB 0.422 39.417 39.000 -0.008 0.000 1.077 506 F HN 0.300 nan 8.300 nan 0.000 0.558 507 P HA 0.084 nan 4.420 nan 0.000 0.267 507 P C -0.496 176.822 177.300 0.030 0.000 1.205 507 P CA -0.181 62.908 63.100 -0.017 0.000 0.765 507 P CB 0.572 32.273 31.700 0.001 0.000 0.828 508 A N 3.331 126.153 122.820 0.004 0.000 2.475 508 A HA 0.465 4.785 4.320 -0.000 0.000 0.239 508 A C 1.223 178.822 177.584 0.023 0.000 1.087 508 A CA 0.983 53.026 52.037 0.010 0.000 0.779 508 A CB -1.114 17.885 19.000 -0.002 0.000 1.036 508 A HN 0.847 nan 8.150 nan 0.000 0.506 509 G N 0.079 108.894 108.800 0.025 0.000 2.496 509 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.243 509 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.243 509 G C 1.029 175.957 174.900 0.048 0.000 1.176 509 G CA 0.749 45.869 45.100 0.034 0.000 0.940 509 G HN 1.045 nan 8.290 nan 0.000 0.573 510 R N -0.059 120.476 120.500 0.059 0.000 2.096 510 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 510 R C 2.810 179.165 176.300 0.092 0.000 1.127 510 R CA 2.570 58.715 56.100 0.075 0.000 0.968 510 R CB -0.867 29.480 30.300 0.078 0.000 0.861 510 R HN 0.626 nan 8.270 nan 0.000 0.440 511 T N 0.087 114.697 114.554 0.094 0.000 2.652 511 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 511 T C 1.909 176.651 174.700 0.071 0.000 1.039 511 T CA 1.929 64.096 62.100 0.111 0.000 1.153 511 T CB -0.189 68.766 68.868 0.145 0.000 0.863 511 T HN 0.278 nan 8.240 nan 0.000 0.428 512 S N 0.518 116.246 115.700 0.047 0.000 2.371 512 S HA -0.021 4.449 4.470 -0.000 0.000 0.224 512 S C 2.022 176.627 174.600 0.008 0.000 1.029 512 S CA 0.864 59.061 58.200 -0.004 0.000 0.978 512 S CB -0.179 63.018 63.200 -0.005 0.000 0.833 512 S HN 0.461 nan 8.310 nan 0.000 0.466 513 K N 1.379 121.802 120.400 0.040 0.000 2.057 513 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 513 K C 1.878 178.531 176.600 0.090 0.000 1.049 513 K CA 1.355 57.675 56.287 0.055 0.000 0.931 513 K CB -0.146 32.391 32.500 0.060 0.000 0.714 513 K HN 0.363 nan 8.250 nan 0.000 0.440 514 E N 0.055 120.332 120.200 0.129 0.000 2.085 514 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 514 E C 1.965 178.643 176.600 0.131 0.000 0.994 514 E CA 1.095 57.628 56.400 0.222 0.000 0.801 514 E CB -0.129 29.736 29.700 0.275 0.000 0.743 514 E HN 0.444 nan 8.360 nan 0.000 0.453 515 A N 1.248 124.113 122.820 0.076 0.000 1.933 515 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 515 A C 2.053 179.692 177.584 0.092 0.000 1.175 515 A CA 1.765 53.839 52.037 0.062 0.000 0.628 515 A CB -0.346 18.658 19.000 0.006 0.000 0.814 515 A HN 0.127 nan 8.150 nan 0.000 0.444 516 E N 0.839 121.078 120.200 0.066 0.000 2.107 516 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 516 E C 0.292 176.872 176.600 -0.033 0.000 0.982 516 E CA 0.595 57.032 56.400 0.063 0.000 0.809 516 E CB -0.237 29.486 29.700 0.038 0.000 0.756 516 E HN 0.538 nan 8.360 nan 0.000 0.459 527 A N 2.024 124.576 122.820 -0.448 0.000 2.076 527 A HA 0.094 4.414 4.320 -0.000 0.000 0.220 527 A C 1.940 179.405 177.584 -0.198 0.000 1.160 527 A CA 1.778 53.604 52.037 -0.351 0.000 0.653 527 A CB -0.699 18.116 19.000 -0.309 0.000 0.801 527 A HN 0.566 nan 8.150 nan 0.000 0.455 528 K N -0.696 119.634 120.400 -0.117 0.000 2.288 528 K HA 0.051 4.371 4.320 -0.000 0.000 0.201 528 K C 1.310 177.916 176.600 0.011 0.000 1.048 528 K CA 0.832 57.098 56.287 -0.036 0.000 0.956 528 K CB 0.029 32.547 32.500 0.029 0.000 0.746 528 K HN 0.438 nan 8.250 nan 0.000 0.461 529 I N -1.251 119.347 120.570 0.048 0.000 3.172 529 I HA 0.192 4.362 4.170 -0.000 0.000 0.278 529 I C 1.126 177.276 176.117 0.055 0.000 1.174 529 I CA 0.591 61.969 61.300 0.129 0.000 1.445 529 I CB 0.000 38.233 38.000 0.388 0.000 1.175 529 I HN 0.118 nan 8.210 nan 0.000 0.447 530 G N -0.583 108.200 108.800 -0.028 0.000 2.342 530 G HA2 0.447 4.407 3.960 -0.000 0.000 0.297 530 G HA3 0.447 4.407 3.960 -0.000 0.000 0.297 530 G C -0.749 174.025 174.900 -0.210 0.000 1.313 530 G CA -0.151 44.901 45.100 -0.079 0.000 0.830 530 G HN 0.270 nan 8.290 nan 0.000 0.506 531 G N -1.086 107.583 108.800 -0.217 0.000 2.537 531 G HA2 0.559 4.519 3.960 -0.000 0.000 0.273 531 G HA3 0.559 4.519 3.960 -0.000 0.000 0.273 531 G C -0.228 174.520 174.900 -0.253 0.000 1.189 531 G CA -0.511 44.372 45.100 -0.362 0.000 0.881 531 G HN 0.448 nan 8.290 nan 0.000 0.535 532 F N -0.592 119.267 119.950 -0.152 0.000 2.602 532 F HA 0.164 4.691 4.527 -0.000 0.000 0.367 532 F C 0.709 176.444 175.800 -0.109 0.000 1.126 532 F CA -0.686 57.217 58.000 -0.161 0.000 1.321 532 F CB 0.510 39.401 39.000 -0.181 0.000 1.094 532 F HN 0.180 nan 8.300 nan 0.000 0.594 533 L N 5.935 127.221 121.223 0.104 0.000 2.281 533 L HA 0.467 4.807 4.340 -0.000 0.000 0.285 533 L C -2.457 174.424 176.870 0.019 0.000 1.074 533 L CA -1.979 52.883 54.840 0.037 0.000 0.817 533 L CB 0.354 42.418 42.059 0.009 0.000 1.168 533 L HN 0.272 nan 8.230 nan 0.000 0.434 534 P HA 0.226 nan 4.420 nan 0.000 0.266 534 P C 0.616 177.912 177.300 -0.008 0.000 1.195 534 P CA 0.979 64.080 63.100 0.003 0.000 0.768 534 P CB 0.765 32.468 31.700 0.005 0.000 0.838 535 G N 1.759 110.550 108.800 -0.016 0.000 2.268 535 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.240 535 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.240 535 G C 0.487 175.384 174.900 -0.005 0.000 1.010 535 G CA 0.279 45.374 45.100 -0.009 0.000 0.618 535 G HN 0.531 nan 8.290 nan 0.000 0.516 536 S N 0.977 116.656 115.700 -0.035 0.000 2.474 536 S HA 0.557 5.027 4.470 -0.000 0.000 0.224 536 S C 0.345 174.810 174.600 -0.225 0.000 1.209 536 S CA -0.519 57.640 58.200 -0.069 0.000 1.212 536 S CB 0.300 63.454 63.200 -0.077 0.000 1.137 536 S HN 0.491 nan 8.310 nan 0.000 0.446 537 L N 2.533 123.620 121.223 -0.226 0.000 2.439 537 L HA 0.414 4.754 4.340 -0.000 0.000 0.261 537 L C -2.049 174.511 176.870 -0.516 0.000 1.153 537 L CA -2.322 52.266 54.840 -0.422 0.000 0.808 537 L CB -0.003 41.878 42.059 -0.296 0.000 1.126 537 L HN 0.078 nan 8.230 nan 0.000 0.460 538 P HA 0.041 nan 4.420 nan 0.000 0.267 538 P C -1.512 175.541 177.300 -0.412 0.000 1.205 538 P CA -0.022 62.679 63.100 -0.665 0.000 0.765 538 P CB 0.668 31.871 31.700 -0.828 0.000 0.828 539 Q N 1.842 121.448 119.800 -0.323 0.000 2.472 539 Q HA 0.457 4.797 4.340 -0.000 0.000 0.281 539 Q C -1.206 174.663 176.000 -0.219 0.000 0.997 539 Q CA -0.859 54.836 55.803 -0.180 0.000 0.828 539 Q CB 0.592 29.296 28.738 -0.056 0.000 1.443 539 Q HN 0.116 nan 8.270 nan 0.000 0.390 543 P HA 0.146 nan 4.420 nan 0.000 0.263 543 P C 0.895 178.098 177.300 -0.162 0.000 1.195 543 P CA 1.536 64.650 63.100 0.024 0.000 0.762 543 P CB 0.266 31.953 31.700 -0.021 0.000 0.799 544 G N 2.454 111.147 108.800 -0.179 0.000 2.213 544 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.236 544 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.236 544 G C 0.707 175.516 174.900 -0.151 0.000 0.991 544 G CA 0.135 45.086 45.100 -0.248 0.000 0.629 544 G HN 0.527 nan 8.290 nan 0.000 0.517 545 L N 1.113 122.270 121.223 -0.110 0.000 2.201 545 L HA 0.254 4.594 4.340 -0.000 0.000 0.212 545 L C 2.771 179.532 176.870 -0.181 0.000 1.105 545 L CA 2.288 57.054 54.840 -0.123 0.000 0.775 545 L CB -0.220 41.786 42.059 -0.089 0.000 0.913 545 L HN 0.432 nan 8.230 nan 0.000 0.440 546 V N 0.043 119.870 119.914 -0.145 0.000 2.594 546 V HA -0.195 3.925 4.120 -0.000 0.000 0.253 546 V C 1.563 177.497 176.094 -0.267 0.000 1.069 546 V CA 1.287 63.479 62.300 -0.180 0.000 1.082 546 V CB -0.337 31.454 31.823 -0.053 0.000 0.680 546 V HN 0.501 nan 8.190 nan 0.000 0.469 547 L N -0.014 121.129 121.223 -0.134 0.000 3.678 547 L HA -0.254 4.086 4.340 -0.000 0.000 0.425 547 L C 0.201 177.144 176.870 0.122 0.000 1.240 547 L CA 0.912 55.736 54.840 -0.027 0.000 0.876 547 L CB -2.642 39.420 42.059 0.006 0.000 1.766 547 L HN 0.583 nan 8.230 nan 0.000 0.917 548 H N -0.581 118.566 119.070 0.128 0.000 2.528 548 H HA 0.324 4.880 4.556 -0.000 0.000 0.256 548 H C 0.404 175.845 175.328 0.189 0.000 1.204 548 H CA -1.091 55.075 56.048 0.197 0.000 0.955 548 H CB 0.719 30.648 29.762 0.280 0.000 1.817 548 H HN 0.205 nan 8.280 nan 0.000 0.579 549 L N 1.883 123.228 121.223 0.204 0.000 2.559 549 L HA 0.230 4.570 4.340 -0.000 0.000 0.274 549 L C 0.587 177.577 176.870 0.199 0.000 1.205 549 L CA 0.761 55.678 54.840 0.129 0.000 0.907 549 L CB 0.267 42.367 42.059 0.068 0.000 1.153 549 L HN 0.346 nan 8.230 nan 0.000 0.490 550 G N 1.891 110.821 108.800 0.217 0.000 2.818 550 G HA2 0.547 4.507 3.960 -0.000 0.000 0.286 550 G HA3 0.547 4.507 3.960 -0.000 0.000 0.286 550 G C 0.319 175.313 174.900 0.156 0.000 1.364 550 G CA -0.336 44.902 45.100 0.229 0.000 0.938 550 G HN 1.345 nan 8.290 nan 0.000 0.490 551 G N -1.525 107.340 108.800 0.110 0.000 2.179 551 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.260 551 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.260 551 G C 1.363 176.318 174.900 0.092 0.000 0.977 551 G CA 1.578 46.746 45.100 0.113 0.000 0.641 551 G HN 1.866 nan 8.290 nan 0.000 0.533 552 T N -1.884 112.680 114.554 0.017 0.000 2.951 552 T HA 0.140 4.490 4.350 -0.000 0.000 0.268 552 T C 1.058 175.827 174.700 0.115 0.000 1.073 552 T CA 1.836 63.984 62.100 0.080 0.000 1.134 552 T CB -0.264 68.660 68.868 0.094 0.000 0.884 552 T HN 1.467 nan 8.240 nan 0.000 0.479 553 H N 0.126 119.266 119.070 0.117 0.000 2.514 553 H HA 0.523 5.079 4.556 -0.000 0.000 0.226 553 H C 0.106 175.475 175.328 0.068 0.000 1.421 553 H CA -1.359 54.736 56.048 0.079 0.000 1.394 553 H CB -0.050 29.724 29.762 0.019 0.000 1.701 553 H HN 0.364 nan 8.280 nan 0.000 0.515 557 F N 0.109 120.158 119.950 0.165 0.000 2.187 557 F HA 0.263 4.790 4.527 -0.000 0.000 0.295 557 F C 1.202 177.125 175.800 0.204 0.000 1.091 557 F CA 1.288 59.387 58.000 0.165 0.000 1.308 557 F CB 0.312 39.367 39.000 0.092 0.000 1.030 557 F HN 0.428 nan 8.300 nan 0.000 0.487 558 D N -1.096 119.460 120.400 0.260 0.000 2.649 558 D HA 0.140 4.780 4.640 -0.000 0.000 0.249 558 D C 0.669 176.818 176.300 -0.251 0.000 1.112 558 D CA -0.288 53.714 54.000 0.003 0.000 0.850 558 D CB 1.519 42.338 40.800 0.032 0.000 1.399 558 D HN 0.087 nan 8.370 nan 0.000 0.503 559 E N 2.130 121.905 120.200 -0.708 0.000 2.077 559 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 559 E C 0.950 177.381 176.600 -0.283 0.000 0.989 559 E CA 1.215 57.157 56.400 -0.763 0.000 0.800 559 E CB 0.321 29.396 29.700 -1.042 0.000 0.746 559 E HN 0.228 nan 8.360 nan 0.000 0.452 560 K N 0.584 120.867 120.400 -0.195 0.000 2.021 560 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 560 K C 2.024 178.595 176.600 -0.048 0.000 1.047 560 K CA 1.468 57.703 56.287 -0.086 0.000 0.943 560 K CB 0.006 32.469 32.500 -0.060 0.000 0.725 560 K HN 0.135 nan 8.250 nan 0.000 0.439 561 E N 0.717 120.894 120.200 -0.039 0.000 2.150 561 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 561 E C 0.459 177.061 176.600 0.002 0.000 0.985 561 E CA 1.012 57.410 56.400 -0.003 0.000 0.814 561 E CB -0.008 29.702 29.700 0.017 0.000 0.752 561 E HN 0.380 nan 8.360 nan 0.000 0.466 562 D N 0.297 120.690 120.400 -0.012 0.000 2.398 562 D HA 0.050 4.690 4.640 -0.000 0.000 0.210 562 D C -0.490 175.745 176.300 -0.109 0.000 1.094 562 D CA -0.117 53.870 54.000 -0.022 0.000 0.839 562 D CB -0.010 40.809 40.800 0.032 0.000 0.963 562 D HN 0.090 nan 8.370 nan 0.000 0.506 563 N N 0.708 119.345 118.700 -0.105 0.000 2.667 563 N HA -0.185 4.555 4.740 -0.000 0.000 0.263 563 N C -0.289 175.133 175.510 -0.146 0.000 1.038 563 N CA 0.511 53.477 53.050 -0.141 0.000 0.749 563 N CB -1.476 36.848 38.487 -0.272 0.000 0.892 563 N HN 0.393 nan 8.380 nan 0.000 0.546 564 C N -3.207 116.083 119.300 -0.018 0.000 3.154 564 C HA 0.747 5.207 4.460 -0.000 0.000 0.312 564 C C 1.539 176.679 174.990 0.249 0.000 1.349 564 C CA -0.768 58.307 59.018 0.095 0.000 1.518 564 C CB 1.528 29.343 27.740 0.125 0.000 1.934 564 C HN 0.508 nan 8.230 nan 0.000 0.462 565 C N 0.485 119.961 119.300 0.292 0.000 2.689 565 C HA 0.441 4.901 4.460 -0.000 0.000 0.336 565 C C 0.807 175.943 174.990 0.243 0.000 1.304 565 C CA 0.565 59.768 59.018 0.308 0.000 1.860 565 C CB -0.636 27.218 27.740 0.191 0.000 2.405 565 C HN 0.924 nan 8.230 nan 0.000 0.557 566 V N 0.927 120.878 119.914 0.061 0.000 3.001 566 V HA 0.677 4.797 4.120 -0.000 0.000 0.314 566 V C -0.693 175.096 176.094 -0.508 0.000 1.099 566 V CA -0.753 61.331 62.300 -0.361 0.000 0.989 566 V CB 1.467 33.185 31.823 -0.175 0.000 1.040 566 V HN 0.382 nan 8.190 nan 0.000 0.434 567 N N 0.794 119.021 118.700 -0.788 0.000 2.431 567 N HA 0.241 4.981 4.740 -0.000 0.000 0.289 567 N C 1.005 176.382 175.510 -0.223 0.000 1.277 567 N CA 0.267 53.063 53.050 -0.423 0.000 0.972 567 N CB -0.171 38.077 38.487 -0.398 0.000 1.143 567 N HN 0.944 nan 8.380 nan 0.000 0.578 568 T N -4.834 109.628 114.554 -0.154 0.000 3.148 568 T HA 0.061 4.411 4.350 -0.000 0.000 0.253 568 T C 0.045 174.670 174.700 -0.126 0.000 1.134 568 T CA 0.369 62.383 62.100 -0.144 0.000 1.051 568 T CB -0.383 68.410 68.868 -0.124 0.000 0.959 568 T HN 0.445 nan 8.240 nan 0.000 0.525 569 D N 1.242 121.556 120.400 -0.144 0.000 2.328 569 D HA 0.174 4.814 4.640 -0.000 0.000 0.221 569 D C 0.553 176.849 176.300 -0.007 0.000 1.072 569 D CA 0.083 54.014 54.000 -0.116 0.000 0.850 569 D CB 0.119 40.730 40.800 -0.316 0.000 0.922 569 D HN 0.339 nan 8.370 nan 0.000 0.516 570 S N 0.210 115.881 115.700 -0.048 0.000 3.380 570 S HA -0.256 4.214 4.470 -0.000 0.000 0.300 570 S C 0.580 175.184 174.600 0.007 0.000 1.255 570 S CA 0.494 58.706 58.200 0.020 0.000 0.963 570 S CB -1.350 61.930 63.200 0.132 0.000 1.106 570 S HN 0.476 nan 8.310 nan 0.000 0.629 571 R N 1.200 121.596 120.500 -0.174 0.000 2.357 571 R HA 0.449 4.789 4.340 -0.000 0.000 0.296 571 R C -0.071 175.926 176.300 -0.505 0.000 1.052 571 R CA -0.359 55.456 56.100 -0.477 0.000 0.988 571 R CB 0.639 30.606 30.300 -0.554 0.000 1.025 571 R HN 0.128 nan 8.270 nan 0.000 0.469 572 V N 6.339 125.986 119.914 -0.444 0.000 2.485 572 V HA 0.016 4.136 4.120 -0.000 0.000 0.287 572 V C 0.139 176.165 176.094 -0.113 0.000 1.022 572 V CA 0.164 62.285 62.300 -0.298 0.000 1.067 572 V CB -0.144 31.473 31.823 -0.344 0.000 0.967 572 V HN 0.571 nan 8.190 nan 0.000 0.479 573 F N 3.814 123.800 119.950 0.060 0.000 2.629 573 F HA 0.355 4.882 4.527 -0.000 0.000 0.377 573 F C 1.625 177.555 175.800 0.216 0.000 1.101 573 F CA 1.587 59.650 58.000 0.105 0.000 1.301 573 F CB -0.121 38.933 39.000 0.091 0.000 1.062 573 F HN 0.793 nan 8.300 nan 0.000 0.583 574 G N 2.237 111.227 108.800 0.316 0.000 2.234 574 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 574 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 574 G C -0.061 174.808 174.900 -0.052 0.000 0.987 574 G CA -0.327 44.854 45.100 0.135 0.000 0.625 574 G HN 0.480 nan 8.290 nan 0.000 0.532 575 F N 0.702 120.673 119.950 0.035 0.000 2.427 575 F HA 0.572 5.099 4.527 -0.000 0.000 0.346 575 F C 1.371 177.144 175.800 -0.045 0.000 1.120 575 F CA -0.664 57.336 58.000 -0.001 0.000 1.033 575 F CB 1.752 40.747 39.000 -0.009 0.000 1.126 575 F HN -0.119 nan 8.300 nan 0.000 0.462 576 K N 1.532 122.017 120.400 0.143 0.000 2.097 576 K HA -0.120 4.199 4.320 -0.000 0.000 0.205 576 K C 0.836 177.608 176.600 0.287 0.000 1.050 576 K CA 1.343 57.747 56.287 0.196 0.000 0.938 576 K CB 0.087 32.712 32.500 0.208 0.000 0.718 576 K HN 0.679 nan 8.250 nan 0.000 0.442 577 N N -0.024 118.811 118.700 0.226 0.000 2.305 577 N HA 0.032 4.772 4.740 -0.000 0.000 0.248 577 N C -0.902 174.640 175.510 0.053 0.000 1.290 577 N CA -0.316 52.892 53.050 0.262 0.000 0.873 577 N CB 0.153 38.862 38.487 0.370 0.000 1.261 577 N HN -0.055 nan 8.380 nan 0.000 0.504 578 L N 0.704 121.739 121.223 -0.314 0.000 2.356 578 L HA 0.699 5.039 4.340 -0.000 0.000 0.277 578 L C -1.748 174.670 176.870 -0.754 0.000 0.996 578 L CA -0.621 54.008 54.840 -0.352 0.000 0.822 578 L CB 0.978 42.847 42.059 -0.317 0.000 1.256 578 L HN -0.003 nan 8.230 nan 0.000 0.413 579 F N 4.853 124.712 119.950 -0.153 0.000 2.576 579 F HA 0.653 5.180 4.527 -0.000 0.000 0.313 579 F C -0.655 174.995 175.800 -0.250 0.000 1.078 579 F CA -0.743 57.154 58.000 -0.173 0.000 0.921 579 F CB 1.810 40.743 39.000 -0.113 0.000 1.232 579 F HN 0.151 nan 8.300 nan 0.000 0.459 580 L N 1.942 123.132 121.223 -0.055 0.000 2.346 580 L HA 0.836 5.176 4.340 -0.000 0.000 0.276 580 L C -0.002 176.895 176.870 0.045 0.000 1.006 580 L CA -0.808 53.929 54.840 -0.172 0.000 0.817 580 L CB 1.953 43.735 42.059 -0.460 0.000 1.272 580 L HN 0.807 nan 8.230 nan 0.000 0.421 581 G N 0.592 109.433 108.800 0.070 0.000 2.495 581 G HA2 0.776 4.736 3.960 -0.000 0.000 0.318 581 G HA3 0.776 4.736 3.960 -0.000 0.000 0.318 581 G C -0.376 174.647 174.900 0.205 0.000 1.257 581 G CA -0.190 45.042 45.100 0.220 0.000 0.962 581 G HN 0.958 nan 8.290 nan 0.000 0.483 582 G N -0.887 108.015 108.800 0.171 0.000 2.343 582 G HA2 0.020 3.980 3.960 -0.000 0.000 0.465 582 G HA3 0.020 3.980 3.960 -0.000 0.000 0.465 582 G C 0.825 175.765 174.900 0.067 0.000 1.282 582 G CA 0.044 45.213 45.100 0.115 0.000 0.996 582 G HN 1.131 nan 8.290 nan 0.000 0.521 583 C N 0.766 120.087 119.300 0.035 0.000 2.419 583 C HA 0.173 4.633 4.460 -0.000 0.000 0.281 583 C C 3.119 178.092 174.990 -0.027 0.000 1.336 583 C CA 1.879 60.904 59.018 0.012 0.000 1.770 583 C CB -1.453 26.325 27.740 0.063 0.000 1.929 583 C HN 1.329 nan 8.230 nan 0.000 0.509 584 G N 1.523 110.231 108.800 -0.154 0.000 2.475 584 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 584 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 584 G C 1.404 175.989 174.900 -0.526 0.000 1.125 584 G CA 1.088 45.843 45.100 -0.575 0.000 0.755 584 G HN 0.571 nan 8.290 nan 0.000 0.565 585 N N 0.482 119.061 118.700 -0.203 0.000 2.309 585 N HA -0.019 4.721 4.740 -0.000 0.000 0.182 585 N C 0.997 176.519 175.510 0.021 0.000 1.018 585 N CA 0.279 53.335 53.050 0.009 0.000 0.876 585 N CB -0.095 38.444 38.487 0.087 0.000 0.972 585 N HN 0.329 nan 8.380 nan 0.000 0.434 586 I N 3.096 123.684 120.570 0.030 0.000 2.505 586 I HA 0.020 4.190 4.170 -0.000 0.000 0.287 586 I C -1.299 174.905 176.117 0.145 0.000 1.104 586 I CA -0.975 60.375 61.300 0.083 0.000 1.387 586 I CB 1.120 39.139 38.000 0.032 0.000 1.404 586 I HN -0.045 nan 8.210 nan 0.000 0.528 587 P HA 0.057 nan 4.420 nan 0.000 0.261 587 P C 0.244 177.618 177.300 0.124 0.000 1.268 587 P CA 0.229 63.387 63.100 0.097 0.000 0.833 587 P CB 0.168 31.887 31.700 0.031 0.000 1.231 588 T N -2.071 112.591 114.554 0.181 0.000 2.884 588 T HA 0.681 5.031 4.350 -0.000 0.000 0.277 588 T C 0.188 174.980 174.700 0.153 0.000 0.976 588 T CA -0.878 61.310 62.100 0.147 0.000 0.956 588 T CB 1.075 70.010 68.868 0.112 0.000 1.113 588 T HN 0.050 nan 8.240 nan 0.000 0.554 589 A N 1.541 124.393 122.820 0.053 0.000 2.302 589 A HA 0.617 4.937 4.320 -0.000 0.000 0.295 589 A C -0.686 176.826 177.584 -0.119 0.000 1.235 589 A CA -0.852 51.157 52.037 -0.048 0.000 0.876 589 A CB -0.818 18.190 19.000 0.014 0.000 1.133 589 A HN 0.868 nan 8.150 nan 0.000 0.533 590 Y N -0.341 119.848 120.300 -0.185 0.000 2.512 590 Y HA 0.709 5.259 4.550 -0.000 0.000 0.348 590 Y C 0.744 176.482 175.900 -0.270 0.000 0.990 590 Y CA -0.640 57.164 58.100 -0.493 0.000 1.033 590 Y CB 1.406 39.336 38.460 -0.884 0.000 1.259 590 Y HN 0.411 nan 8.280 nan 0.000 0.461 591 G N 0.696 109.395 108.800 -0.169 0.000 2.608 591 G HA2 0.371 4.331 3.960 -0.000 0.000 0.210 591 G HA3 0.371 4.331 3.960 -0.000 0.000 0.210 591 G C 0.467 175.412 174.900 0.074 0.000 1.139 591 G CA 0.224 45.415 45.100 0.152 0.000 0.812 591 G HN 0.948 nan 8.290 nan 0.000 0.529 592 A N 0.671 123.365 122.820 -0.210 0.000 2.296 592 A HA 0.481 4.801 4.320 -0.000 0.000 0.264 592 A C -0.094 177.343 177.584 -0.244 0.000 1.097 592 A CA -0.545 51.249 52.037 -0.406 0.000 0.811 592 A CB 0.039 18.832 19.000 -0.345 0.000 1.072 592 A HN 0.347 nan 8.150 nan 0.000 0.495 593 N N 1.907 120.329 118.700 -0.464 0.000 2.434 593 N HA 0.177 4.917 4.740 -0.000 0.000 0.268 593 N C -1.933 173.448 175.510 -0.216 0.000 1.256 593 N CA -0.740 52.014 53.050 -0.494 0.000 0.914 593 N CB 0.382 38.671 38.487 -0.330 0.000 1.088 593 N HN 0.415 nan 8.380 nan 0.000 0.478 594 P HA -0.101 nan 4.420 nan 0.000 0.230 594 P C 0.520 177.686 177.300 -0.224 0.000 1.158 594 P CA 0.953 63.925 63.100 -0.215 0.000 0.769 594 P CB 0.279 31.828 31.700 -0.252 0.000 0.807 595 T N 0.666 115.166 114.554 -0.090 0.000 2.777 595 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 595 T C 1.799 176.550 174.700 0.085 0.000 1.040 595 T CA 0.800 62.910 62.100 0.017 0.000 1.141 595 T CB -0.809 68.108 68.868 0.081 0.000 0.868 595 T HN 0.012 nan 8.240 nan 0.000 0.444 596 L N 1.208 122.506 121.223 0.125 0.000 2.042 596 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 596 L C 2.548 179.468 176.870 0.084 0.000 1.076 596 L CA 1.820 56.771 54.840 0.184 0.000 0.749 596 L CB -1.141 41.006 42.059 0.147 0.000 0.893 596 L HN 0.208 nan 8.230 nan 0.000 0.432 597 T N 0.078 114.545 114.554 -0.144 0.000 2.708 597 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 597 T C 1.114 175.734 174.700 -0.132 0.000 1.037 597 T CA 0.816 62.760 62.100 -0.259 0.000 1.146 597 T CB -0.512 67.806 68.868 -0.917 0.000 0.865 597 T HN 0.549 nan 8.240 nan 0.000 0.435 601 L N 2.983 124.080 121.223 -0.209 0.000 2.083 601 L HA 0.170 4.510 4.340 -0.000 0.000 0.209 601 L C 2.575 179.317 176.870 -0.213 0.000 1.083 601 L CA 2.269 56.986 54.840 -0.205 0.000 0.752 601 L CB -1.238 40.770 42.059 -0.086 0.000 0.899 601 L HN 0.535 nan 8.230 nan 0.000 0.433 602 A N -0.907 121.768 122.820 -0.242 0.000 1.968 602 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 602 A C 2.311 179.570 177.584 -0.541 0.000 1.169 602 A CA 1.189 52.957 52.037 -0.450 0.000 0.638 602 A CB -0.508 18.210 19.000 -0.470 0.000 0.812 602 A HN 0.367 nan 8.150 nan 0.000 0.446 603 I N -0.468 119.885 120.570 -0.362 0.000 2.179 603 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 603 I C 2.535 178.495 176.117 -0.262 0.000 1.088 603 I CA 1.827 62.954 61.300 -0.289 0.000 1.357 603 I CB -0.227 37.623 38.000 -0.251 0.000 1.051 603 I HN 0.345 nan 8.210 nan 0.000 0.409 604 K N 0.442 120.684 120.400 -0.263 0.000 2.097 604 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 604 K C 2.360 178.875 176.600 -0.142 0.000 1.049 604 K CA 1.740 57.901 56.287 -0.210 0.000 0.933 604 K CB -0.083 32.262 32.500 -0.259 0.000 0.717 604 K HN 0.146 nan 8.250 nan 0.000 0.442 605 S N -0.062 115.535 115.700 -0.171 0.000 2.368 605 S HA -0.146 4.324 4.470 -0.000 0.000 0.224 605 S C 2.076 176.588 174.600 -0.147 0.000 1.029 605 S CA 1.327 59.469 58.200 -0.096 0.000 0.988 605 S CB -0.442 62.739 63.200 -0.031 0.000 0.838 605 S HN 0.551 nan 8.310 nan 0.000 0.462 606 C N 1.580 120.713 119.300 -0.278 0.000 2.413 606 C HA -0.031 4.429 4.460 -0.000 0.000 0.277 606 C C 2.536 177.446 174.990 -0.133 0.000 1.265 606 C CA 0.974 59.845 59.018 -0.246 0.000 1.752 606 C CB -1.476 26.078 27.740 -0.310 0.000 1.998 606 C HN 0.689 nan 8.230 nan 0.000 0.489 607 E N -0.817 119.327 120.200 -0.093 0.000 2.077 607 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 607 E C 1.838 178.443 176.600 0.009 0.000 0.989 607 E CA 1.410 57.785 56.400 -0.041 0.000 0.800 607 E CB -0.322 29.350 29.700 -0.048 0.000 0.746 607 E HN 0.840 nan 8.360 nan 0.000 0.452 608 Y N 1.176 121.438 120.300 -0.063 0.000 2.224 608 Y HA -0.203 4.347 4.550 -0.000 0.000 0.289 608 Y C 1.908 177.833 175.900 0.042 0.000 1.146 608 Y CA 1.376 59.479 58.100 0.006 0.000 1.182 608 Y CB 0.008 38.506 38.460 0.064 0.000 0.983 608 Y HN -0.046 nan 8.280 nan 0.000 0.524 609 I N 0.238 120.838 120.570 0.050 0.000 2.252 609 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 609 I C 2.150 178.304 176.117 0.062 0.000 1.102 609 I CA 1.521 62.851 61.300 0.050 0.000 1.385 609 I CB -0.371 37.454 38.000 -0.292 0.000 1.064 609 I HN 0.104 nan 8.210 nan 0.000 0.414 610 K N 0.355 120.754 120.400 -0.003 0.000 2.360 610 K HA -0.168 4.152 4.320 -0.000 0.000 0.201 610 K C 1.768 178.415 176.600 0.078 0.000 1.046 610 K CA 0.986 57.346 56.287 0.122 0.000 0.945 610 K CB -0.046 32.507 32.500 0.089 0.000 0.750 610 K HN 0.436 nan 8.250 nan 0.000 0.464 611 Q N -0.618 119.154 119.800 -0.047 0.000 2.319 611 Q HA 0.125 4.465 4.340 -0.000 0.000 0.209 611 Q C 0.877 176.754 176.000 -0.205 0.000 0.884 611 Q CA 0.213 55.947 55.803 -0.115 0.000 0.938 611 Q CB 0.686 29.332 28.738 -0.153 0.000 1.098 611 Q HN 0.235 nan 8.270 nan 0.000 0.517 612 N N -1.023 117.526 118.700 -0.252 0.000 2.145 612 N HA 0.153 4.893 4.740 -0.000 0.000 0.219 612 N C -0.965 174.181 175.510 -0.608 0.000 1.266 612 N CA 0.264 53.023 53.050 -0.485 0.000 0.902 612 N CB 1.101 39.113 38.487 -0.792 0.000 1.078 612 N HN -0.011 nan 8.380 nan 0.000 0.513 613 F N 0.576 120.550 119.950 0.039 0.000 2.565 613 F HA 0.359 4.886 4.527 -0.000 0.000 0.313 613 F C 0.142 176.076 175.800 0.222 0.000 1.091 613 F CA -0.600 57.481 58.000 0.134 0.000 0.915 613 F CB 1.871 40.955 39.000 0.140 0.000 1.208 613 F HN -0.379 nan 8.300 nan 0.000 0.453 614 T N 3.675 118.421 114.554 0.320 0.000 2.767 614 T HA 0.403 4.753 4.350 -0.000 0.000 0.284 614 T C -2.597 172.130 174.700 0.044 0.000 0.973 614 T CA -1.459 60.716 62.100 0.125 0.000 0.996 614 T CB 1.139 70.038 68.868 0.051 0.000 0.927 614 T HN 0.122 nan 8.240 nan 0.000 0.456 615 P HA 0.102 nan 4.420 nan 0.000 0.266 615 P C 0.025 177.231 177.300 -0.157 0.000 1.195 615 P CA -0.324 62.468 63.100 -0.513 0.000 0.768 615 P CB 0.304 31.504 31.700 -0.833 0.000 0.838 616 S N 3.274 118.932 115.700 -0.070 0.000 2.572 616 S HA 0.294 4.764 4.470 -0.000 0.000 0.279 616 S C -2.168 172.413 174.600 -0.032 0.000 1.341 616 S CA -0.984 57.196 58.200 -0.033 0.000 1.043 616 S CB -0.672 62.514 63.200 -0.022 0.000 0.887 616 S HN 0.226 nan 8.310 nan 0.000 0.516 617 P HA 0.122 nan 4.420 nan 0.000 0.266 617 P C -0.801 176.553 177.300 0.089 0.000 1.195 617 P CA -0.137 62.988 63.100 0.042 0.000 0.768 617 P CB 0.109 31.831 31.700 0.036 0.000 0.838 618 F N 3.477 123.411 119.950 -0.027 0.000 2.444 618 F HA 0.274 4.801 4.527 -0.000 0.000 0.360 618 F C 0.591 176.382 175.800 -0.014 0.000 1.106 618 F CA 0.070 58.059 58.000 -0.017 0.000 1.170 618 F CB 0.414 39.405 39.000 -0.016 0.000 1.113 618 F HN 0.332 nan 8.300 nan 0.000 0.521 619 T N 0.000 114.791 114.554 0.395 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.260 62.100 0.266 0.000 1.349 619 T CB 0.000 68.933 68.868 0.108 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658