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 3ixv_1_J DATA FIRST_RESID 1 DATA SEQUENCE TVADKQARLM PLFKHLTALT REKLPLDQRD ERLKGVGILP RGTLFSCFHA DATA SEQUENCE RHLAEATELY VALYGAKDFN DFIHLCEQAR QIVNEGMFVY AVSVAVLHRE DATA SEQUENCE DCKGITVPPI QEVFPDRFVP AETINRANKE ASNHPDQQSI VVEAEETGNI DATA SEQUENCE LDPEYKLSYF REDIGINAHH WHWHIVYPAT WNPTVMGKEK DRKGELFFYM DATA SEQUENCE HQQMCARYDS ERLSNGLQRM IPFHNFDEPL EGYAPHLTSL VSGLQYASRP DATA SEQUENCE EGYSIHDLSD VDVQDMVRWR ERILDAINMH YIVDKDNNKI PLDIEHGTDI DATA SEQUENCE LGDIIESSDE SKNVEYYGSL HNWGHVMMAN ITDPDHRFQE NPGVMSDTST DATA SEQUENCE SLRDPIFYRW HRFIDNIFQE HKKSFHPYTK EELSFPGVEV VGVSINSKTA DATA SEQUENCE NVITTLIKES LLELSHGINF GTDQSVKVKY HHLDHEPFTY NIVVENNSGA DATA SEQUENCE EKHSTVRIFL APKYDELNNK LEPDEQRRLF IELDKFFYTL TPGKNTIVRN DATA SEQUENCE HQDSSVTISK VRTFDQLGAG EGVSEDSTEY CSCGWPEHML IPRGSHKGME DATA SEQUENCE FELFVMLTDH DEDTVAGLSE NAVCSDAVSY CGARDDRYPD KKAMGFPFDR DATA SEQUENCE KIEARTAAEF LTPNMGLTDI KIKFHG 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.639 174.700 -0.102 0.000 1.109 1 T CA 0.000 62.059 62.100 -0.068 0.000 1.349 1 T CB 0.000 68.835 68.868 -0.055 0.000 0.612 2 V N 2.396 122.241 119.914 -0.116 0.000 2.343 2 V HA -0.171 nan 4.120 nan 0.000 0.247 2 V C 1.186 177.195 176.094 -0.143 0.000 1.051 2 V CA 3.369 65.576 62.300 -0.155 0.000 1.036 2 V CB -0.354 31.381 31.823 -0.146 0.000 0.654 2 V HN 0.630 8.762 8.190 -0.097 0.000 0.451 3 A N -1.118 121.641 122.820 -0.102 0.000 1.902 3 A HA -0.344 nan 4.320 nan 0.000 0.217 3 A C 1.051 178.592 177.584 -0.070 0.000 1.181 3 A CA 3.361 55.348 52.037 -0.084 0.000 0.623 3 A CB -0.926 18.039 19.000 -0.058 0.000 0.818 3 A HN -0.069 8.027 8.150 -0.090 0.000 0.443 4 D N -2.339 118.025 120.400 -0.060 0.000 2.117 4 D HA -0.232 nan 4.640 nan 0.000 0.197 4 D C 2.222 178.500 176.300 -0.037 0.000 0.987 4 D CA 3.187 57.168 54.000 -0.032 0.000 0.829 4 D CB -0.261 40.527 40.800 -0.020 0.000 0.961 4 D HN 0.016 8.229 8.370 -0.067 0.117 0.460 5 K N -0.235 120.103 120.400 -0.102 0.000 2.057 5 K HA -0.383 nan 4.320 nan 0.000 0.207 5 K C 2.444 178.982 176.600 -0.103 0.000 1.049 5 K CA 3.039 59.228 56.287 -0.164 0.000 0.931 5 K CB -0.067 32.187 32.500 -0.410 0.000 0.714 5 K HN -0.542 7.537 8.250 -0.126 0.095 0.440 6 Q N -1.834 117.891 119.800 -0.125 0.000 2.084 6 Q HA -0.309 nan 4.340 nan 0.000 0.202 6 Q C 2.459 178.428 176.000 -0.052 0.000 0.978 6 Q CA 2.927 58.659 55.803 -0.117 0.000 0.844 6 Q CB -0.257 28.393 28.738 -0.147 0.000 0.898 6 Q HN -0.005 8.078 8.270 -0.137 0.105 0.426 7 A N -1.302 121.506 122.820 -0.020 0.000 1.902 7 A HA -0.251 nan 4.320 nan 0.000 0.217 7 A C 2.366 179.991 177.584 0.068 0.000 1.181 7 A CA 2.686 54.738 52.037 0.026 0.000 0.623 7 A CB -0.684 18.336 19.000 0.033 0.000 0.818 7 A HN -0.214 7.821 8.150 -0.033 0.095 0.443 8 R N -2.320 118.236 120.500 0.094 0.000 2.096 8 R HA -0.276 nan 4.340 nan 0.000 0.235 8 R C 2.489 178.893 176.300 0.173 0.000 1.127 8 R CA 2.725 58.915 56.100 0.149 0.000 0.968 8 R CB 0.035 30.471 30.300 0.226 0.000 0.861 8 R HN -0.424 7.802 8.270 0.072 0.087 0.440 9 L N -1.081 120.254 121.223 0.186 0.000 2.083 9 L HA -0.297 nan 4.340 nan 0.000 0.209 9 L C 2.602 179.594 176.870 0.203 0.000 1.083 9 L CA 2.948 57.923 54.840 0.225 0.000 0.752 9 L CB -0.406 41.769 42.059 0.193 0.000 0.899 9 L HN -0.182 8.140 8.230 0.153 0.000 0.433 10 M N -1.098 118.548 119.600 0.078 0.000 2.086 10 M HA -0.249 nan 4.480 nan 0.000 0.261 10 M C -1.104 175.342 176.300 0.245 0.000 1.067 10 M CA 5.974 61.287 55.300 0.022 0.000 1.116 10 M CB -2.446 30.100 32.600 -0.091 0.000 1.348 10 M HN -0.366 7.834 8.290 0.049 0.119 0.407 11 P HA -0.144 nan 4.420 nan 0.000 0.231 11 P C 0.434 177.805 177.300 0.118 0.000 1.158 11 P CA 2.149 65.366 63.100 0.195 0.000 0.763 11 P CB -1.036 30.752 31.700 0.145 0.000 0.805 12 L N -2.954 118.310 121.223 0.067 0.000 2.131 12 L HA -0.299 nan 4.340 nan 0.000 0.210 12 L C 0.238 176.919 176.870 -0.316 0.000 1.092 12 L CA 2.313 57.041 54.840 -0.187 0.000 0.759 12 L CB 0.142 41.986 42.059 -0.357 0.000 0.903 12 L HN -0.298 7.858 8.230 0.138 0.157 0.435 13 F N -2.812 117.182 119.950 0.074 0.000 2.300 13 F HA 0.131 nan 4.527 nan 0.000 0.364 13 F C -1.513 174.404 175.800 0.195 0.000 1.090 13 F CA -0.862 57.191 58.000 0.088 0.000 1.200 13 F CB -0.876 38.145 39.000 0.035 0.000 1.493 13 F HN -0.527 7.863 8.300 0.371 0.133 0.518 14 K N 2.036 122.589 120.400 0.255 0.000 2.570 14 K HA 0.151 nan 4.320 nan 0.000 0.256 14 K C -0.674 176.077 176.600 0.251 0.000 0.939 14 K CA -0.066 56.382 56.287 0.268 0.000 0.833 14 K CB 2.550 35.238 32.500 0.314 0.000 1.318 14 K HN -0.278 8.066 8.250 0.156 0.000 0.433 15 H N 1.086 120.200 119.070 0.074 0.000 2.820 15 H HA -0.336 nan 4.556 nan 0.000 0.295 15 H C 1.291 176.647 175.328 0.047 0.000 1.187 15 H CA 1.310 57.394 56.048 0.058 0.000 1.144 15 H CB -1.337 28.465 29.762 0.067 0.000 1.354 15 H HN 0.484 8.774 8.280 0.016 0.000 0.395 16 L N -2.711 118.573 121.223 0.101 0.000 2.034 16 L HA -0.479 nan 4.340 nan 0.000 0.217 16 L C 1.888 178.844 176.870 0.144 0.000 1.077 16 L CA 3.411 58.322 54.840 0.118 0.000 0.769 16 L CB -1.301 40.829 42.059 0.118 0.000 0.890 16 L HN 0.261 8.504 8.230 0.022 0.000 0.435 17 T N -1.656 112.982 114.554 0.140 0.000 2.684 17 T HA -0.323 nan 4.350 nan 0.000 0.267 17 T C 2.326 177.091 174.700 0.110 0.000 1.036 17 T CA 4.302 66.480 62.100 0.130 0.000 1.148 17 T CB -0.480 68.456 68.868 0.113 0.000 0.863 17 T HN -0.051 8.240 8.240 0.122 0.022 0.436 18 A N 1.068 123.961 122.820 0.121 0.000 1.969 18 A HA -0.064 nan 4.320 nan 0.000 0.218 18 A C 0.938 178.566 177.584 0.074 0.000 1.169 18 A CA 2.479 54.576 52.037 0.101 0.000 0.635 18 A CB -0.910 18.172 19.000 0.137 0.000 0.810 18 A HN -0.038 8.090 8.150 0.147 0.110 0.445 19 L N -4.662 116.615 121.223 0.089 0.000 2.127 19 L HA -0.199 nan 4.340 nan 0.000 0.211 19 L C 0.439 177.342 176.870 0.054 0.000 1.089 19 L CA 0.936 55.815 54.840 0.066 0.000 0.757 19 L CB 0.149 42.253 42.059 0.075 0.000 0.899 19 L HN -0.718 7.432 8.230 0.117 0.150 0.434 20 T N -4.063 110.530 114.554 0.065 0.000 3.016 20 T HA 0.153 nan 4.350 nan 0.000 0.335 20 T C -0.576 174.148 174.700 0.039 0.000 1.176 20 T CA -1.289 60.842 62.100 0.051 0.000 0.987 20 T CB -0.570 68.335 68.868 0.062 0.000 1.073 20 T HN -0.682 7.585 8.240 0.079 0.021 0.547 21 R N 3.787 124.302 120.500 0.025 0.000 2.599 21 R HA 0.230 nan 4.340 nan 0.000 0.295 21 R C -0.496 175.811 176.300 0.011 0.000 0.963 21 R CA -2.703 53.409 56.100 0.019 0.000 0.883 21 R CB 2.346 32.655 30.300 0.014 0.000 1.171 21 R HN -0.256 8.026 8.270 0.020 0.000 0.450 22 E N 2.583 122.789 120.200 0.010 0.000 2.614 22 E HA -0.173 nan 4.350 nan 0.000 0.245 22 E C -0.523 176.077 176.600 0.001 0.000 1.039 22 E CA 1.312 57.715 56.400 0.005 0.000 0.948 22 E CB -0.248 29.455 29.700 0.005 0.000 0.937 22 E HN 0.090 8.457 8.360 0.013 0.000 0.498 23 K N 3.067 123.465 120.400 -0.003 0.000 2.525 23 K HA 0.287 nan 4.320 nan 0.000 0.254 23 K C -1.448 175.147 176.600 -0.009 0.000 0.934 23 K CA -0.402 55.882 56.287 -0.005 0.000 0.802 23 K CB 2.143 34.639 32.500 -0.006 0.000 1.295 23 K HN -0.002 8.246 8.250 -0.005 0.000 0.433 24 L N 4.555 125.772 121.223 -0.009 0.000 2.345 24 L HA 0.446 nan 4.340 nan 0.000 0.274 24 L C -1.992 174.872 176.870 -0.011 0.000 0.999 24 L CA -1.798 53.035 54.840 -0.012 0.000 0.849 24 L CB 1.312 43.365 42.059 -0.011 0.000 1.220 24 L HN 0.322 8.547 8.230 -0.007 0.000 0.422 25 P HA 0.308 nan 4.420 nan 0.000 0.283 25 P C -1.781 175.512 177.300 -0.011 0.000 1.271 25 P CA -0.927 62.167 63.100 -0.009 0.000 0.841 25 P CB 1.319 33.014 31.700 -0.009 0.000 1.122 26 L N 1.271 122.489 121.223 -0.008 0.000 2.380 26 L HA -0.050 nan 4.340 nan 0.000 0.273 26 L C 1.134 177.997 176.870 -0.012 0.000 1.138 26 L CA 0.140 54.974 54.840 -0.010 0.000 0.832 26 L CB 0.395 42.451 42.059 -0.006 0.000 1.124 26 L HN 0.037 8.265 8.230 -0.004 0.000 0.454 27 D N 1.617 122.005 120.400 -0.019 0.000 2.317 27 D HA -0.208 nan 4.640 nan 0.000 0.211 27 D C 1.312 177.602 176.300 -0.017 0.000 0.966 27 D CA 2.126 56.111 54.000 -0.025 0.000 0.876 27 D CB -0.039 40.739 40.800 -0.037 0.000 0.927 27 D HN 0.441 8.799 8.370 -0.020 0.000 0.519 28 Q N -0.725 119.068 119.800 -0.012 0.000 2.135 28 Q HA -0.275 nan 4.340 nan 0.000 0.204 28 Q C 0.931 176.928 176.000 -0.004 0.000 0.981 28 Q CA 1.843 57.641 55.803 -0.009 0.000 0.856 28 Q CB -1.113 27.621 28.738 -0.007 0.000 0.902 28 Q HN 0.108 8.343 8.270 -0.013 0.026 0.425 29 R N -2.209 118.291 120.500 -0.000 0.000 2.091 29 R HA -0.127 nan 4.340 nan 0.000 0.238 29 R C 0.010 176.315 176.300 0.009 0.000 1.136 29 R CA 1.811 57.915 56.100 0.006 0.000 0.959 29 R CB -0.332 29.976 30.300 0.013 0.000 0.856 29 R HN 0.064 8.329 8.270 -0.002 0.003 0.437 30 D N 0.382 120.786 120.400 0.006 0.000 2.470 30 D HA 0.095 nan 4.640 nan 0.000 0.226 30 D C -0.773 175.525 176.300 -0.003 0.000 1.196 30 D CA 0.433 54.437 54.000 0.008 0.000 0.979 30 D CB -1.338 39.461 40.800 -0.002 0.000 1.059 30 D HN -0.355 7.901 8.370 -0.000 0.113 0.515 31 E N 2.853 123.054 120.200 0.002 0.000 2.106 31 E HA -0.315 nan 4.350 nan 0.000 0.192 31 E C 2.178 178.777 176.600 -0.001 0.000 0.984 31 E CA 3.146 59.546 56.400 -0.001 0.000 0.806 31 E CB 0.088 29.790 29.700 0.002 0.000 0.750 31 E HN -0.073 8.244 8.360 0.007 0.047 0.458 32 R N -0.767 119.737 120.500 0.007 0.000 2.081 32 R HA -0.254 nan 4.340 nan 0.000 0.235 32 R C 2.328 178.627 176.300 -0.001 0.000 1.131 32 R CA 2.702 58.810 56.100 0.013 0.000 0.960 32 R CB -0.494 29.823 30.300 0.029 0.000 0.856 32 R HN 0.255 8.519 8.270 0.012 0.013 0.436 33 L N -4.340 116.873 121.223 -0.017 0.000 2.465 33 L HA -0.153 nan 4.340 nan 0.000 0.224 33 L C 1.091 177.925 176.870 -0.059 0.000 1.145 33 L CA 1.822 56.630 54.840 -0.052 0.000 0.834 33 L CB -1.159 40.857 42.059 -0.071 0.000 0.944 33 L HN -0.074 8.013 8.230 -0.010 0.136 0.451 34 K N 0.024 120.402 120.400 -0.038 0.000 2.074 34 K HA -0.318 nan 4.320 nan 0.000 0.209 34 K C 1.784 178.358 176.600 -0.044 0.000 1.048 34 K CA 2.798 59.063 56.287 -0.038 0.000 0.926 34 K CB -1.171 31.315 32.500 -0.024 0.000 0.713 34 K HN -0.240 7.806 8.250 -0.025 0.189 0.444 35 G N -1.548 107.227 108.800 -0.041 0.000 2.432 35 G HA2 -0.182 nan 3.960 nan 0.000 0.219 35 G HA3 -0.182 nan 3.960 nan 0.000 0.219 35 G C -0.939 173.925 174.900 -0.059 0.000 1.135 35 G CA 0.501 45.577 45.100 -0.041 0.000 0.767 35 G HN 0.046 8.290 8.290 -0.035 0.025 0.550 36 V N -1.574 118.289 119.914 -0.085 0.000 3.093 36 V HA 0.254 nan 4.120 nan 0.000 0.320 36 V C -0.655 175.360 176.094 -0.132 0.000 1.093 36 V CA -1.365 60.865 62.300 -0.116 0.000 1.016 36 V CB 1.482 33.203 31.823 -0.171 0.000 1.096 36 V HN -0.597 7.501 8.190 -0.090 0.039 0.452 37 G N 1.885 110.603 108.800 -0.136 0.000 2.154 37 G HA2 -0.366 nan 3.960 nan 0.000 0.186 37 G HA3 -0.366 nan 3.960 nan 0.000 0.186 37 G C -0.291 174.563 174.900 -0.077 0.000 1.000 37 G CA 0.774 45.803 45.100 -0.119 0.000 0.664 37 G HN 0.546 8.764 8.290 -0.120 0.000 0.513 38 I N -3.738 116.791 120.570 -0.069 0.000 2.233 38 I HA 0.001 nan 4.170 nan 0.000 0.243 38 I C 0.078 176.159 176.117 -0.060 0.000 1.093 38 I CA 1.449 62.712 61.300 -0.061 0.000 1.380 38 I CB 0.279 38.239 38.000 -0.066 0.000 1.067 38 I HN -0.409 7.757 8.210 -0.073 0.000 0.413 39 L N 2.431 123.619 121.223 -0.058 0.000 2.410 39 L HA 0.295 nan 4.340 nan 0.000 0.273 39 L C -2.549 174.323 176.870 0.003 0.000 1.152 39 L CA -2.159 52.656 54.840 -0.042 0.000 0.855 39 L CB 0.095 42.150 42.059 -0.007 0.000 1.129 39 L HN -0.736 7.637 8.230 -0.052 -0.175 0.463 40 P HA 0.180 nan 4.420 nan 0.000 0.274 40 P C -0.056 177.280 177.300 0.060 0.000 1.237 40 P CA -0.465 62.652 63.100 0.029 0.000 0.793 40 P CB 0.658 32.375 31.700 0.028 0.000 0.977 41 R N 2.872 123.405 120.500 0.055 0.000 2.088 41 R HA -0.336 nan 4.340 nan 0.000 0.232 41 R C 2.172 178.531 176.300 0.099 0.000 1.136 41 R CA 3.388 59.535 56.100 0.077 0.000 0.926 41 R CB -0.955 29.383 30.300 0.064 0.000 0.837 41 R HN 0.454 8.747 8.270 0.038 0.000 0.429 42 G N -1.855 106.995 108.800 0.083 0.000 2.432 42 G HA2 -0.165 nan 3.960 nan 0.000 0.219 42 G HA3 -0.165 nan 3.960 nan 0.000 0.219 42 G C 0.033 174.988 174.900 0.092 0.000 1.135 42 G CA 0.477 45.627 45.100 0.083 0.000 0.767 42 G HN 0.223 8.554 8.290 0.068 0.000 0.550 43 T N -2.038 112.579 114.554 0.104 0.000 2.906 43 T HA -0.203 nan 4.350 nan 0.000 0.320 43 T C -0.233 174.558 174.700 0.151 0.000 1.088 43 T CA -0.370 61.803 62.100 0.122 0.000 1.120 43 T CB 0.867 69.815 68.868 0.134 0.000 1.000 43 T HN -0.883 7.380 8.240 0.097 0.036 0.550 44 L N 0.756 122.056 121.223 0.129 0.000 2.397 44 L HA 0.164 nan 4.340 nan 0.000 0.271 44 L C 0.053 177.028 176.870 0.175 0.000 1.148 44 L CA 0.011 54.924 54.840 0.122 0.000 0.825 44 L CB 0.540 42.628 42.059 0.049 0.000 1.117 44 L HN 0.057 8.354 8.230 0.111 0.000 0.456 45 F N 3.356 123.329 119.950 0.039 0.000 2.404 45 F HA 0.059 nan 4.527 nan 0.000 0.339 45 F C -1.085 174.568 175.800 -0.245 0.000 1.105 45 F CA -1.117 56.867 58.000 -0.026 0.000 1.087 45 F CB 2.336 41.393 39.000 0.094 0.000 1.143 45 F HN -0.292 8.182 8.300 0.289 0.000 0.491 46 S N 5.658 120.445 115.700 -1.521 0.000 2.437 46 S HA 0.151 nan 4.470 nan 0.000 0.305 46 S C 0.190 174.091 174.600 -1.165 0.000 1.109 46 S CA -1.190 56.408 58.200 -1.002 0.000 1.099 46 S CB 1.554 64.282 63.200 -0.787 0.000 1.004 46 S HN -0.240 6.562 8.310 -2.514 0.000 0.475 47 C N 7.440 126.307 119.300 -0.722 0.000 2.450 47 C HA -0.013 nan 4.460 nan 0.000 0.279 47 C C 0.895 175.345 174.990 -0.900 0.000 1.335 47 C CA 1.285 59.816 59.018 -0.813 0.000 1.749 47 C CB -0.223 26.995 27.740 -0.871 0.000 1.963 47 C HN 0.281 8.235 8.230 -0.461 0.000 0.501 48 F N -4.367 115.390 119.950 -0.323 0.000 2.219 48 F HA -0.114 nan 4.527 nan 0.000 0.294 48 F C 0.023 175.606 175.800 -0.361 0.000 1.086 48 F CA 1.699 59.531 58.000 -0.279 0.000 1.330 48 F CB 0.137 38.999 39.000 -0.230 0.000 1.047 48 F HN -0.876 7.137 8.300 -0.439 0.023 0.495 49 H N 0.365 119.247 119.070 -0.313 0.000 2.897 49 H HA -0.075 nan 4.556 nan 0.000 0.347 49 H C 0.652 175.799 175.328 -0.301 0.000 1.068 49 H CA 0.229 56.057 56.048 -0.366 0.000 1.426 49 H CB 2.015 31.660 29.762 -0.195 0.000 1.410 49 H HN -0.704 7.475 8.280 -0.168 0.000 0.597 50 A N 6.911 129.327 122.820 -0.674 0.000 1.877 50 A HA -0.297 nan 4.320 nan 0.000 0.216 50 A C 1.639 179.202 177.584 -0.036 0.000 1.186 50 A CA 3.574 55.420 52.037 -0.319 0.000 0.620 50 A CB -0.108 18.707 19.000 -0.307 0.000 0.822 50 A HN 0.683 8.028 8.150 -1.342 0.000 0.443 51 R N -2.637 117.993 120.500 0.218 0.000 2.096 51 R HA -0.336 nan 4.340 nan 0.000 0.235 51 R C 2.231 178.582 176.300 0.085 0.000 1.127 51 R CA 3.039 59.244 56.100 0.174 0.000 0.968 51 R CB -1.004 29.407 30.300 0.186 0.000 0.861 51 R HN -0.677 7.754 8.270 0.268 0.000 0.440 52 H N -0.149 118.934 119.070 0.021 0.000 2.423 52 H HA -0.141 nan 4.556 nan 0.000 0.297 52 H C 2.660 177.973 175.328 -0.024 0.000 1.075 52 H CA 3.675 59.653 56.048 -0.116 0.000 1.342 52 H CB 0.283 29.685 29.762 -0.601 0.000 1.395 52 H HN -0.575 7.907 8.280 0.375 0.023 0.530 53 L N -1.883 119.359 121.223 0.031 0.000 2.240 53 L HA -0.219 nan 4.340 nan 0.000 0.211 53 L C 1.576 178.437 176.870 -0.016 0.000 1.106 53 L CA 1.944 56.789 54.840 0.008 0.000 0.793 53 L CB -0.512 41.519 42.059 -0.047 0.000 0.927 53 L HN -0.340 7.789 8.230 0.004 0.103 0.446 54 A N 0.218 123.034 122.820 -0.007 0.000 1.855 54 A HA -0.335 nan 4.320 nan 0.000 0.215 54 A C 1.631 179.189 177.584 -0.043 0.000 1.191 54 A CA 3.510 55.532 52.037 -0.024 0.000 0.613 54 A CB -0.949 18.046 19.000 -0.008 0.000 0.829 54 A HN 0.327 8.360 8.150 0.011 0.123 0.442 55 E N -2.165 118.024 120.200 -0.019 0.000 2.110 55 E HA -0.370 nan 4.350 nan 0.000 0.193 55 E C 2.209 178.773 176.600 -0.061 0.000 0.988 55 E CA 2.582 58.966 56.400 -0.027 0.000 0.804 55 E CB -0.404 29.294 29.700 -0.005 0.000 0.745 55 E HN -0.156 8.206 8.360 0.004 0.000 0.458 56 A N -1.418 121.363 122.820 -0.064 0.000 1.898 56 A HA -0.228 nan 4.320 nan 0.000 0.216 56 A C 1.924 179.078 177.584 -0.718 0.000 1.181 56 A CA 3.029 54.910 52.037 -0.259 0.000 0.620 56 A CB -1.051 17.869 19.000 -0.133 0.000 0.819 56 A HN -0.440 7.707 8.150 0.025 0.018 0.442 57 T N 0.425 114.679 114.554 -0.500 0.000 2.684 57 T HA -0.342 nan 4.350 nan 0.000 0.267 57 T C 1.694 176.256 174.700 -0.230 0.000 1.036 57 T CA 4.749 66.600 62.100 -0.415 0.000 1.148 57 T CB -0.500 68.285 68.868 -0.137 0.000 0.863 57 T HN -0.169 7.824 8.240 -0.275 0.083 0.436 58 E N 0.532 120.648 120.200 -0.141 0.000 2.209 58 E HA -0.274 nan 4.350 nan 0.000 0.196 58 E C 2.236 178.837 176.600 0.001 0.000 0.993 58 E CA 2.888 59.255 56.400 -0.056 0.000 0.819 58 E CB -0.529 29.141 29.700 -0.050 0.000 0.745 58 E HN -0.410 7.865 8.360 -0.142 0.000 0.477 59 L N -1.746 119.473 121.223 -0.007 0.000 2.068 59 L HA -0.262 nan 4.340 nan 0.000 0.204 59 L C 2.060 179.130 176.870 0.334 0.000 1.076 59 L CA 2.676 57.630 54.840 0.190 0.000 0.753 59 L CB -0.232 42.029 42.059 0.336 0.000 0.910 59 L HN -0.946 7.079 8.230 -0.123 0.131 0.439 60 Y N -2.178 118.270 120.300 0.247 0.000 2.014 60 Y HA -0.495 nan 4.550 nan 0.000 0.272 60 Y C 2.521 178.628 175.900 0.346 0.000 1.164 60 Y CA 1.978 60.281 58.100 0.338 0.000 1.114 60 Y CB -1.786 36.777 38.460 0.173 0.000 0.961 60 Y HN -0.281 7.987 8.280 -0.020 0.000 0.489 61 V N -5.397 114.671 119.914 0.257 0.000 2.392 61 V HA -0.458 nan 4.120 nan 0.000 0.249 61 V C 1.833 178.045 176.094 0.197 0.000 1.059 61 V CA 3.332 65.701 62.300 0.116 0.000 1.051 61 V CB -1.732 30.083 31.823 -0.013 0.000 0.658 61 V HN 0.059 8.360 8.190 0.185 0.000 0.455 62 A N 0.042 122.974 122.820 0.188 0.000 1.898 62 A HA -0.215 nan 4.320 nan 0.000 0.216 62 A C 1.695 179.396 177.584 0.194 0.000 1.181 62 A CA 3.135 55.267 52.037 0.158 0.000 0.620 62 A CB -0.651 18.423 19.000 0.123 0.000 0.819 62 A HN -0.474 7.780 8.150 0.173 0.000 0.442 63 L N -2.993 118.386 121.223 0.260 0.000 2.395 63 L HA -0.211 nan 4.340 nan 0.000 0.218 63 L C 1.601 178.653 176.870 0.303 0.000 1.130 63 L CA 2.296 57.259 54.840 0.205 0.000 0.826 63 L CB -0.493 41.625 42.059 0.098 0.000 0.941 63 L HN -0.368 7.970 8.230 0.332 0.092 0.451 64 Y N -1.620 118.795 120.300 0.191 0.000 2.286 64 Y HA -0.264 nan 4.550 nan 0.000 0.293 64 Y C 2.315 178.282 175.900 0.111 0.000 1.124 64 Y CA 2.800 60.989 58.100 0.147 0.000 1.178 64 Y CB -0.588 37.920 38.460 0.081 0.000 1.010 64 Y HN 0.018 8.609 8.280 0.697 0.107 0.536 65 G N -3.058 105.896 108.800 0.256 0.000 2.471 65 G HA2 -0.257 nan 3.960 nan 0.000 0.219 65 G HA3 -0.257 nan 3.960 nan 0.000 0.219 65 G C -0.461 174.513 174.900 0.123 0.000 1.125 65 G CA 0.060 45.251 45.100 0.152 0.000 0.775 65 G HN -0.212 8.077 8.290 0.288 0.174 0.548 66 A N 0.021 122.922 122.820 0.134 0.000 2.546 66 A HA -0.083 nan 4.320 nan 0.000 0.243 66 A C -0.230 177.420 177.584 0.109 0.000 1.063 66 A CA 0.430 52.532 52.037 0.108 0.000 0.757 66 A CB 0.682 19.746 19.000 0.106 0.000 0.991 66 A HN -0.470 7.753 8.150 0.162 0.024 0.503 67 K N 2.591 123.039 120.400 0.081 0.000 2.062 67 K HA -0.237 nan 4.320 nan 0.000 0.205 67 K C -0.564 176.083 176.600 0.078 0.000 1.051 67 K CA 2.116 58.446 56.287 0.071 0.000 0.941 67 K CB 0.388 32.918 32.500 0.050 0.000 0.719 67 K HN 0.077 8.650 8.250 0.068 -0.282 0.440 68 D N -6.443 114.010 120.400 0.089 0.000 2.636 68 D HA 0.089 nan 4.640 nan 0.000 0.275 68 D C -0.366 176.022 176.300 0.148 0.000 1.130 68 D CA -1.336 52.731 54.000 0.113 0.000 1.031 68 D CB 0.919 41.779 40.800 0.100 0.000 1.451 68 D HN -0.722 7.699 8.370 0.085 0.000 0.505 69 F N 0.179 120.158 119.950 0.049 0.000 2.134 69 F HA -0.360 nan 4.527 nan 0.000 0.299 69 F C 0.555 176.448 175.800 0.154 0.000 1.097 69 F CA 3.887 61.922 58.000 0.058 0.000 1.264 69 F CB 0.485 39.470 39.000 -0.025 0.000 1.001 69 F HN -0.164 8.388 8.300 0.280 -0.084 0.479 70 N N -2.306 116.506 118.700 0.186 0.000 2.120 70 N HA -0.324 nan 4.740 nan 0.000 0.188 70 N C 2.435 177.976 175.510 0.052 0.000 1.024 70 N CA 3.266 56.387 53.050 0.118 0.000 0.852 70 N CB -1.247 37.308 38.487 0.112 0.000 1.003 70 N HN 0.060 8.555 8.380 0.220 0.017 0.424 71 D N 0.468 120.901 120.400 0.055 0.000 2.144 71 D HA -0.229 nan 4.640 nan 0.000 0.199 71 D C 1.757 178.074 176.300 0.029 0.000 0.984 71 D CA 2.647 56.676 54.000 0.048 0.000 0.834 71 D CB -0.141 40.688 40.800 0.048 0.000 0.955 71 D HN -0.043 8.561 8.370 0.074 -0.189 0.465 72 F N 1.575 121.410 119.950 -0.191 0.000 2.102 72 F HA -0.336 nan 4.527 nan 0.000 0.298 72 F C 1.689 177.300 175.800 -0.314 0.000 1.105 72 F CA 3.433 61.256 58.000 -0.295 0.000 1.239 72 F CB 0.295 38.963 39.000 -0.554 0.000 0.991 72 F HN -0.125 8.157 8.300 0.084 0.069 0.474 73 I N -2.148 118.293 120.570 -0.215 0.000 2.226 73 I HA -0.557 nan 4.170 nan 0.000 0.245 73 I C 1.950 177.965 176.117 -0.170 0.000 1.100 73 I CA 2.575 63.758 61.300 -0.196 0.000 1.374 73 I CB -1.740 36.231 38.000 -0.047 0.000 1.057 73 I HN 0.132 8.144 8.210 -0.179 0.090 0.413 74 H N 1.460 120.444 119.070 -0.144 0.000 2.293 74 H HA -0.315 nan 4.556 nan 0.000 0.300 74 H C 2.250 177.513 175.328 -0.109 0.000 1.082 74 H CA 4.523 60.515 56.048 -0.093 0.000 1.308 74 H CB 0.349 30.081 29.762 -0.051 0.000 1.375 74 H HN -0.370 7.861 8.280 0.051 0.079 0.495 75 L N -1.752 119.444 121.223 -0.044 0.000 2.083 75 L HA -0.282 nan 4.340 nan 0.000 0.209 75 L C 1.561 178.357 176.870 -0.123 0.000 1.083 75 L CA 3.166 57.969 54.840 -0.062 0.000 0.752 75 L CB -0.692 41.357 42.059 -0.018 0.000 0.899 75 L HN -0.147 8.078 8.230 -0.009 0.000 0.433 76 C N -0.885 118.229 119.300 -0.310 0.000 2.432 76 C HA -0.419 nan 4.460 nan 0.000 0.277 76 C C 2.344 177.229 174.990 -0.175 0.000 1.249 76 C CA 3.820 62.620 59.018 -0.364 0.000 1.725 76 C CB -1.935 25.392 27.740 -0.688 0.000 2.028 76 C HN -0.247 7.709 8.230 -0.434 0.013 0.477 77 E N 0.001 120.071 120.200 -0.217 0.000 2.038 77 E HA -0.424 nan 4.350 nan 0.000 0.195 77 E C 2.727 179.256 176.600 -0.119 0.000 1.000 77 E CA 3.230 59.532 56.400 -0.164 0.000 0.803 77 E CB -0.289 29.295 29.700 -0.193 0.000 0.750 77 E HN 0.170 8.175 8.360 -0.264 0.196 0.448 78 Q N -0.590 119.095 119.800 -0.192 0.000 2.020 78 Q HA -0.254 nan 4.340 nan 0.000 0.202 78 Q C 2.541 178.509 176.000 -0.054 0.000 0.982 78 Q CA 2.890 58.603 55.803 -0.149 0.000 0.838 78 Q CB 0.181 28.803 28.738 -0.193 0.000 0.899 78 Q HN -0.283 7.810 8.270 -0.294 0.000 0.423 79 A N -3.651 119.171 122.820 0.003 0.000 2.235 79 A HA -0.067 nan 4.320 nan 0.000 0.208 79 A C 0.493 178.014 177.584 -0.105 0.000 1.172 79 A CA 1.286 53.246 52.037 -0.128 0.000 0.786 79 A CB -0.560 18.257 19.000 -0.305 0.000 0.804 79 A HN -0.366 7.821 8.150 0.061 0.000 0.479 80 R N -2.332 118.321 120.500 0.256 0.000 2.334 80 R HA -0.064 nan 4.340 nan 0.000 0.220 80 R C 0.744 177.111 176.300 0.112 0.000 0.917 80 R CA 1.032 57.335 56.100 0.339 0.000 1.073 80 R CB -0.183 30.336 30.300 0.364 0.000 1.056 80 R HN -0.467 7.910 8.270 0.244 0.039 0.506 81 Q N -2.335 117.486 119.800 0.035 0.000 2.200 81 Q HA -0.151 nan 4.340 nan 0.000 0.197 81 Q C 1.001 176.991 176.000 -0.016 0.000 0.953 81 Q CA 2.142 57.951 55.803 0.009 0.000 0.851 81 Q CB 0.732 29.465 28.738 -0.008 0.000 0.938 81 Q HN -0.612 7.600 8.270 0.018 0.069 0.488 82 I N -3.240 117.296 120.570 -0.056 0.000 2.296 82 I HA -0.146 nan 4.170 nan 0.000 0.242 82 I C -0.459 175.588 176.117 -0.117 0.000 1.087 82 I CA 1.251 62.503 61.300 -0.079 0.000 1.393 82 I CB 1.851 39.798 38.000 -0.087 0.000 1.093 82 I HN -0.736 7.434 8.210 -0.066 0.000 0.421 83 V N -1.993 117.786 119.914 -0.226 0.000 2.567 83 V HA 0.211 nan 4.120 nan 0.000 0.289 83 V C -0.927 175.061 176.094 -0.178 0.000 1.049 83 V CA -3.146 58.979 62.300 -0.293 0.000 0.969 83 V CB 1.300 32.774 31.823 -0.582 0.000 0.995 83 V HN -0.291 7.611 8.190 -0.274 0.123 0.471 84 N N 4.854 123.514 118.700 -0.066 0.000 2.503 84 N HA -0.009 nan 4.740 nan 0.000 0.267 84 N C 0.837 176.426 175.510 0.130 0.000 1.214 84 N CA -0.678 52.396 53.050 0.040 0.000 0.959 84 N CB 1.773 40.291 38.487 0.052 0.000 1.142 84 N HN 0.186 8.516 8.380 -0.084 0.000 0.455 85 E N 2.202 122.491 120.200 0.149 0.000 2.160 85 E HA -0.373 nan 4.350 nan 0.000 0.195 85 E C 1.290 178.035 176.600 0.241 0.000 0.991 85 E CA 3.054 59.573 56.400 0.199 0.000 0.810 85 E CB -0.676 29.136 29.700 0.187 0.000 0.742 85 E HN 0.496 8.929 8.360 0.122 0.000 0.466 86 G N -0.822 108.105 108.800 0.211 0.000 2.404 86 G HA2 -0.181 nan 3.960 nan 0.000 0.213 86 G HA3 -0.181 nan 3.960 nan 0.000 0.213 86 G C 1.137 176.125 174.900 0.147 0.000 1.189 86 G CA 1.178 46.410 45.100 0.219 0.000 0.796 86 G HN -0.031 8.542 8.290 0.183 -0.173 0.532 87 M N 1.946 121.597 119.600 0.086 0.000 2.229 87 M HA -0.262 nan 4.480 nan 0.000 0.264 87 M C 1.060 177.399 176.300 0.065 0.000 1.063 87 M CA 2.986 58.163 55.300 -0.206 0.000 1.114 87 M CB 0.234 32.838 32.600 0.006 0.000 1.387 87 M HN -0.115 8.664 8.290 0.173 -0.385 0.420 88 F N -0.487 119.463 119.950 -0.001 0.000 2.234 88 F HA -0.134 nan 4.527 nan 0.000 0.296 88 F C 1.426 177.267 175.800 0.069 0.000 1.089 88 F CA 1.508 59.519 58.000 0.019 0.000 1.343 88 F CB -0.290 38.705 39.000 -0.008 0.000 1.040 88 F HN 0.362 8.632 8.300 0.275 0.195 0.498 89 V N -0.181 119.858 119.914 0.209 0.000 2.546 89 V HA -0.458 nan 4.120 nan 0.000 0.254 89 V C 1.310 177.613 176.094 0.347 0.000 1.076 89 V CA 4.037 66.480 62.300 0.238 0.000 1.087 89 V CB -0.919 31.177 31.823 0.456 0.000 0.674 89 V HN 0.018 8.366 8.190 0.263 0.000 0.470 90 Y N 0.587 120.992 120.300 0.175 0.000 2.176 90 Y HA -0.338 nan 4.550 nan 0.000 0.291 90 Y C 0.906 176.948 175.900 0.236 0.000 1.122 90 Y CA 4.096 62.285 58.100 0.150 0.000 1.128 90 Y CB 0.217 38.519 38.460 -0.264 0.000 1.005 90 Y HN -0.747 7.557 8.280 0.268 0.136 0.509 91 A N -1.779 121.286 122.820 0.408 0.000 1.969 91 A HA -0.315 nan 4.320 nan 0.000 0.218 91 A C 2.229 180.012 177.584 0.332 0.000 1.169 91 A CA 2.846 55.200 52.037 0.529 0.000 0.635 91 A CB -0.608 18.703 19.000 0.519 0.000 0.810 91 A HN 0.185 8.533 8.150 0.330 0.000 0.445 92 V N -4.656 115.188 119.914 -0.116 0.000 2.244 92 V HA -0.429 nan 4.120 nan 0.000 0.244 92 V C 1.640 177.818 176.094 0.139 0.000 1.042 92 V CA 4.088 66.259 62.300 -0.214 0.000 1.006 92 V CB -1.168 30.291 31.823 -0.608 0.000 0.641 92 V HN 0.543 8.592 8.190 -0.235 0.000 0.446 93 S N 0.153 116.010 115.700 0.262 0.000 2.365 93 S HA -0.415 nan 4.470 nan 0.000 0.225 93 S C 1.802 176.503 174.600 0.169 0.000 1.039 93 S CA 4.099 62.518 58.200 0.364 0.000 1.033 93 S CB -0.112 63.322 63.200 0.389 0.000 0.887 93 S HN -0.654 7.795 8.310 0.232 0.000 0.447 94 V N -0.312 119.648 119.914 0.077 0.000 2.427 94 V HA -0.348 nan 4.120 nan 0.000 0.248 94 V C 1.629 177.826 176.094 0.172 0.000 1.051 94 V CA 3.741 66.045 62.300 0.007 0.000 1.048 94 V CB -1.054 30.566 31.823 -0.338 0.000 0.666 94 V HN -0.554 7.695 8.190 0.098 0.000 0.456 95 A N -0.394 122.540 122.820 0.191 0.000 1.855 95 A HA -0.259 nan 4.320 nan 0.000 0.215 95 A C 1.749 179.328 177.584 -0.008 0.000 1.191 95 A CA 3.415 55.533 52.037 0.136 0.000 0.613 95 A CB -0.985 18.194 19.000 0.298 0.000 0.829 95 A HN -0.417 7.749 8.150 0.210 0.110 0.442 96 V N -0.375 119.650 119.914 0.185 0.000 2.311 96 V HA -0.436 nan 4.120 nan 0.000 0.256 96 V C 1.681 177.716 176.094 -0.098 0.000 1.077 96 V CA 3.705 66.063 62.300 0.096 0.000 1.067 96 V CB -0.925 31.073 31.823 0.292 0.000 0.659 96 V HN 0.090 8.354 8.190 0.294 0.103 0.451 97 L N -3.028 118.122 121.223 -0.122 0.000 1.948 97 L HA -0.281 nan 4.340 nan 0.000 0.212 97 L C 1.384 178.111 176.870 -0.239 0.000 1.074 97 L CA 2.709 57.384 54.840 -0.274 0.000 0.753 97 L CB 0.237 41.948 42.059 -0.580 0.000 0.888 97 L HN -0.622 7.576 8.230 -0.053 0.000 0.432 98 H N -5.433 113.577 119.070 -0.100 0.000 2.544 98 H HA 0.014 nan 4.556 nan 0.000 0.269 98 H C 0.153 175.450 175.328 -0.052 0.000 0.970 98 H CA 1.357 57.421 56.048 0.027 0.000 1.219 98 H CB 0.354 30.348 29.762 0.386 0.000 1.421 98 H HN -0.476 7.721 8.280 0.015 0.092 0.555 99 R N 0.068 120.420 120.500 -0.246 0.000 2.298 99 R HA 0.066 nan 4.340 nan 0.000 0.310 99 R C 1.096 177.342 176.300 -0.091 0.000 1.068 99 R CA -1.348 54.640 56.100 -0.187 0.000 0.957 99 R CB -0.203 29.864 30.300 -0.388 0.000 1.003 99 R HN -0.928 7.103 8.270 -0.398 0.000 0.454 100 E N 5.713 125.913 120.200 0.000 0.000 2.026 100 E HA -0.468 nan 4.350 nan 0.000 0.206 100 E C 0.806 177.385 176.600 -0.035 0.000 1.028 100 E CA 3.420 59.819 56.400 -0.002 0.000 0.845 100 E CB -0.344 29.373 29.700 0.028 0.000 0.772 100 E HN 0.474 8.863 8.360 0.047 0.000 0.462 101 D N -3.841 116.551 120.400 -0.014 0.000 2.392 101 D HA -0.135 nan 4.640 nan 0.000 0.228 101 D C 1.576 177.843 176.300 -0.055 0.000 1.003 101 D CA 1.111 55.098 54.000 -0.021 0.000 0.917 101 D CB -1.063 39.754 40.800 0.028 0.000 0.890 101 D HN -0.038 8.338 8.370 0.010 0.000 0.532 102 C N -0.485 118.780 119.300 -0.059 0.000 2.413 102 C HA -0.296 nan 4.460 nan 0.000 0.277 102 C C 1.061 175.868 174.990 -0.304 0.000 1.265 102 C CA 2.428 61.352 59.018 -0.156 0.000 1.752 102 C CB -1.171 26.457 27.740 -0.186 0.000 1.998 102 C HN -0.250 7.875 8.230 -0.066 0.066 0.489 103 K N -0.750 119.526 120.400 -0.207 0.000 2.611 103 K HA -0.430 nan 4.320 nan 0.000 0.280 103 K C 0.386 176.852 176.600 -0.224 0.000 0.964 103 K CA 1.957 58.131 56.287 -0.188 0.000 1.029 103 K CB 0.187 32.610 32.500 -0.128 0.000 0.862 103 K HN -0.399 7.729 8.250 -0.153 0.030 0.501 104 G N -0.050 108.632 108.800 -0.196 0.000 2.164 104 G HA2 -0.220 nan 3.960 nan 0.000 0.154 104 G HA3 -0.220 nan 3.960 nan 0.000 0.154 104 G C -1.204 173.546 174.900 -0.250 0.000 1.014 104 G CA -0.509 44.467 45.100 -0.206 0.000 0.683 104 G HN 0.058 8.247 8.290 -0.168 0.000 0.500 105 I N 1.650 122.062 120.570 -0.263 0.000 2.503 105 I HA 0.126 nan 4.170 nan 0.000 0.282 105 I C -1.511 174.418 176.117 -0.313 0.000 1.059 105 I CA -1.875 59.255 61.300 -0.284 0.000 1.081 105 I CB 1.291 39.141 38.000 -0.250 0.000 1.210 105 I HN -0.362 7.655 8.210 -0.227 0.057 0.450 106 T N 5.705 120.009 114.554 -0.416 0.000 2.902 106 T HA 0.200 nan 4.350 nan 0.000 0.280 106 T C -1.165 173.338 174.700 -0.328 0.000 0.992 106 T CA -0.804 61.034 62.100 -0.437 0.000 1.015 106 T CB 1.188 69.672 68.868 -0.641 0.000 1.044 106 T HN 0.067 8.055 8.240 -0.419 0.000 0.520 107 V N 2.736 122.466 119.914 -0.307 0.000 2.667 107 V HA 0.342 nan 4.120 nan 0.000 0.308 107 V C -1.944 173.848 176.094 -0.504 0.000 1.048 107 V CA -3.522 58.522 62.300 -0.427 0.000 0.928 107 V CB 0.654 32.256 31.823 -0.368 0.000 1.004 107 V HN 0.454 8.500 8.190 -0.239 0.000 0.444 108 P HA 0.178 nan 4.420 nan 0.000 0.269 108 P C -2.501 174.568 177.300 -0.385 0.000 1.215 108 P CA -1.419 61.261 63.100 -0.700 0.000 0.780 108 P CB -0.100 31.051 31.700 -0.915 0.000 0.898 109 P HA 0.068 nan 4.420 nan 0.000 0.268 109 P C 0.961 178.194 177.300 -0.112 0.000 1.204 109 P CA -0.391 62.648 63.100 -0.102 0.000 0.768 109 P CB 0.569 32.230 31.700 -0.064 0.000 0.842 110 I N -0.786 119.714 120.570 -0.117 0.000 2.252 110 I HA -0.459 nan 4.170 nan 0.000 0.245 110 I C 1.324 177.368 176.117 -0.122 0.000 1.102 110 I CA 3.947 65.156 61.300 -0.152 0.000 1.385 110 I CB -0.132 37.669 38.000 -0.333 0.000 1.064 110 I HN 0.327 8.519 8.210 -0.029 0.000 0.414 111 Q N 0.715 120.165 119.800 -0.583 0.000 2.084 111 Q HA -0.339 nan 4.340 nan 0.000 0.202 111 Q C 1.307 177.061 176.000 -0.410 0.000 0.978 111 Q CA 3.613 58.614 55.803 -1.337 0.000 0.844 111 Q CB -1.173 26.721 28.738 -1.407 0.000 0.898 111 Q HN 0.297 8.282 8.270 -0.476 0.000 0.426 112 E N -2.792 117.282 120.200 -0.209 0.000 2.107 112 E HA -0.210 nan 4.350 nan 0.000 0.191 112 E C 1.799 178.398 176.600 -0.002 0.000 0.982 112 E CA 2.264 58.640 56.400 -0.040 0.000 0.809 112 E CB -0.036 29.691 29.700 0.045 0.000 0.756 112 E HN 0.023 8.155 8.360 -0.220 0.096 0.459 113 V N -4.692 115.199 119.914 -0.037 0.000 2.307 113 V HA -0.161 nan 4.120 nan 0.000 0.245 113 V C 0.648 176.482 176.094 -0.433 0.000 1.045 113 V CA 2.211 64.395 62.300 -0.193 0.000 1.024 113 V CB 0.081 31.755 31.823 -0.248 0.000 0.651 113 V HN -0.154 7.795 8.190 -0.049 0.212 0.449 114 F N -1.239 118.777 119.950 0.109 0.000 2.449 114 F HA 0.609 nan 4.527 nan 0.000 0.344 114 F C -1.122 174.833 175.800 0.259 0.000 1.180 114 F CA -3.087 55.010 58.000 0.161 0.000 1.209 114 F CB 0.441 39.531 39.000 0.149 0.000 1.440 114 F HN -0.055 8.251 8.300 0.186 0.105 0.526 115 P HA -0.222 nan 4.420 nan 0.000 0.220 115 P C 0.198 177.697 177.300 0.331 0.000 1.148 115 P CA 2.566 65.830 63.100 0.273 0.000 0.803 115 P CB -0.147 31.637 31.700 0.139 0.000 0.782 116 D N -3.565 117.014 120.400 0.297 0.000 2.178 116 D HA -0.274 nan 4.640 nan 0.000 0.202 116 D C 1.530 177.969 176.300 0.231 0.000 0.974 116 D CA 2.706 56.851 54.000 0.243 0.000 0.841 116 D CB -1.034 39.898 40.800 0.221 0.000 0.953 116 D HN 0.498 9.008 8.370 0.326 0.056 0.478 117 R N -2.195 118.446 120.500 0.236 0.000 2.115 117 R HA -0.197 nan 4.340 nan 0.000 0.226 117 R C 1.466 177.625 176.300 -0.234 0.000 1.100 117 R CA 2.166 58.266 56.100 -0.001 0.000 0.980 117 R CB -0.733 29.478 30.300 -0.149 0.000 0.875 117 R HN -0.486 7.977 8.270 0.351 0.018 0.445 118 F N -2.536 117.448 119.950 0.056 0.000 2.234 118 F HA -0.072 nan 4.527 nan 0.000 0.296 118 F C -0.283 175.521 175.800 0.007 0.000 1.089 118 F CA 2.256 60.254 58.000 -0.003 0.000 1.343 118 F CB 0.759 39.735 39.000 -0.040 0.000 1.040 118 F HN -0.809 7.637 8.300 0.471 0.136 0.498 119 V N -7.319 112.723 119.914 0.213 0.000 2.815 119 V HA 0.467 nan 4.120 nan 0.000 0.314 119 V C -2.855 173.326 176.094 0.145 0.000 1.064 119 V CA -4.552 57.846 62.300 0.163 0.000 0.952 119 V CB 0.214 32.139 31.823 0.170 0.000 1.020 119 V HN -0.568 7.767 8.190 0.242 0.000 0.439 120 P HA 0.080 nan 4.420 nan 0.000 0.272 120 P C -0.339 177.040 177.300 0.132 0.000 1.230 120 P CA -0.534 62.647 63.100 0.136 0.000 0.788 120 P CB 0.656 32.423 31.700 0.111 0.000 0.949 121 A N 3.347 126.255 122.820 0.146 0.000 1.894 121 A HA -0.489 nan 4.320 nan 0.000 0.220 121 A C 2.088 179.732 177.584 0.101 0.000 1.237 121 A CA 3.670 55.783 52.037 0.126 0.000 0.660 121 A CB -0.690 18.395 19.000 0.143 0.000 0.835 121 A HN 0.607 8.757 8.150 0.175 0.105 0.461 122 E N -2.809 117.446 120.200 0.092 0.000 2.035 122 E HA -0.430 nan 4.350 nan 0.000 0.204 122 E C 2.400 179.044 176.600 0.073 0.000 1.025 122 E CA 3.095 59.539 56.400 0.073 0.000 0.835 122 E CB -0.703 29.032 29.700 0.058 0.000 0.764 122 E HN 0.314 8.734 8.360 0.100 0.000 0.457 123 T N 0.921 115.525 114.554 0.083 0.000 2.995 123 T HA -0.064 nan 4.350 nan 0.000 0.269 123 T C 2.470 177.220 174.700 0.084 0.000 1.091 123 T CA 2.752 64.902 62.100 0.083 0.000 1.128 123 T CB -0.745 68.181 68.868 0.096 0.000 0.891 123 T HN -0.520 7.773 8.240 0.090 0.000 0.492 124 I N 2.531 123.156 120.570 0.092 0.000 2.179 124 I HA -0.623 nan 4.170 nan 0.000 0.242 124 I C 1.156 177.315 176.117 0.070 0.000 1.088 124 I CA 4.426 65.779 61.300 0.087 0.000 1.357 124 I CB -0.389 37.670 38.000 0.099 0.000 1.051 124 I HN -0.010 8.240 8.210 0.100 0.020 0.409 125 N N -0.561 118.179 118.700 0.067 0.000 2.142 125 N HA -0.263 nan 4.740 nan 0.000 0.186 125 N C 2.355 177.894 175.510 0.049 0.000 1.023 125 N CA 3.399 56.482 53.050 0.055 0.000 0.852 125 N CB 0.059 38.579 38.487 0.054 0.000 0.998 125 N HN -0.136 8.208 8.380 0.074 0.080 0.424 126 R N -0.810 119.721 120.500 0.052 0.000 2.073 126 R HA -0.319 nan 4.340 nan 0.000 0.234 126 R C 1.938 178.266 176.300 0.047 0.000 1.134 126 R CA 3.519 59.648 56.100 0.048 0.000 0.952 126 R CB -0.265 30.064 30.300 0.050 0.000 0.850 126 R HN 0.408 8.713 8.270 0.058 0.000 0.433 127 A N -0.987 121.863 122.820 0.049 0.000 1.902 127 A HA -0.274 nan 4.320 nan 0.000 0.217 127 A C 2.271 179.879 177.584 0.040 0.000 1.181 127 A CA 3.099 55.163 52.037 0.045 0.000 0.623 127 A CB -0.847 18.182 19.000 0.048 0.000 0.818 127 A HN -0.379 7.804 8.150 0.055 0.000 0.443 128 N N -1.873 116.850 118.700 0.039 0.000 2.120 128 N HA -0.314 nan 4.740 nan 0.000 0.188 128 N C 2.192 177.718 175.510 0.026 0.000 1.024 128 N CA 2.828 55.895 53.050 0.029 0.000 0.852 128 N CB -0.503 38.002 38.487 0.029 0.000 1.003 128 N HN -0.160 8.247 8.380 0.044 0.000 0.424 129 K N 1.174 121.592 120.400 0.031 0.000 2.057 129 K HA -0.348 nan 4.320 nan 0.000 0.207 129 K C 2.135 178.757 176.600 0.036 0.000 1.049 129 K CA 3.474 59.779 56.287 0.029 0.000 0.931 129 K CB 0.031 32.551 32.500 0.033 0.000 0.714 129 K HN 0.288 8.351 8.250 0.036 0.208 0.440 130 E N -1.247 118.982 120.200 0.047 0.000 2.153 130 E HA -0.351 nan 4.350 nan 0.000 0.194 130 E C 2.305 178.941 176.600 0.061 0.000 0.988 130 E CA 2.806 59.245 56.400 0.064 0.000 0.811 130 E CB -0.237 29.497 29.700 0.057 0.000 0.746 130 E HN 0.255 8.452 8.360 0.044 0.189 0.466 131 A N -1.100 121.745 122.820 0.041 0.000 1.877 131 A HA -0.220 nan 4.320 nan 0.000 0.216 131 A C 1.524 179.122 177.584 0.022 0.000 1.186 131 A CA 3.190 55.247 52.037 0.033 0.000 0.620 131 A CB -0.479 18.532 19.000 0.020 0.000 0.822 131 A HN -0.117 7.969 8.150 0.037 0.087 0.443 132 S N -1.963 113.742 115.700 0.008 0.000 2.395 132 S HA -0.150 nan 4.470 nan 0.000 0.225 132 S C 1.651 176.231 174.600 -0.033 0.000 1.027 132 S CA 2.086 60.279 58.200 -0.013 0.000 0.965 132 S CB 0.366 63.556 63.200 -0.017 0.000 0.812 132 S HN -0.413 7.904 8.310 0.011 0.000 0.482 133 N N 1.197 119.888 118.700 -0.015 0.000 2.025 133 N HA -0.231 nan 4.740 nan 0.000 0.194 133 N C 0.169 175.530 175.510 -0.247 0.000 1.044 133 N CA 2.538 55.540 53.050 -0.080 0.000 0.851 133 N CB 0.594 39.123 38.487 0.070 0.000 1.036 133 N HN -0.038 8.121 8.380 0.022 0.235 0.422 134 H N -1.974 117.099 119.070 0.005 0.000 2.906 134 H HA 0.333 nan 4.556 nan 0.000 0.324 134 H C -2.401 172.930 175.328 0.005 0.000 0.973 134 H CA -2.277 53.774 56.048 0.005 0.000 1.321 134 H CB 1.397 31.163 29.762 0.006 0.000 1.535 134 H HN -0.601 7.763 8.280 0.139 0.000 0.518 135 P HA -0.010 nan 4.420 nan 0.000 0.271 135 P C -1.653 175.689 177.300 0.070 0.000 1.220 135 P CA -0.100 63.032 63.100 0.053 0.000 0.768 135 P CB 0.482 32.194 31.700 0.020 0.000 0.848 136 D N 2.889 123.323 120.400 0.057 0.000 2.751 136 D HA -0.024 nan 4.640 nan 0.000 0.236 136 D C -0.042 176.282 176.300 0.041 0.000 1.196 136 D CA -0.025 54.003 54.000 0.048 0.000 0.741 136 D CB 1.458 42.287 40.800 0.048 0.000 1.474 136 D HN -0.410 7.992 8.370 0.053 0.000 0.452 137 Q N 1.439 121.258 119.800 0.032 0.000 2.224 137 Q HA -0.201 nan 4.340 nan 0.000 0.203 137 Q C -0.055 175.959 176.000 0.023 0.000 0.970 137 Q CA 2.175 57.997 55.803 0.031 0.000 0.865 137 Q CB 0.249 29.000 28.738 0.022 0.000 0.922 137 Q HN 0.138 8.425 8.270 0.028 0.000 0.445 138 Q N -1.448 118.363 119.800 0.018 0.000 2.354 138 Q HA -0.241 nan 4.340 nan 0.000 0.310 138 Q C -0.882 175.125 176.000 0.010 0.000 1.104 138 Q CA 0.919 56.727 55.803 0.009 0.000 0.968 138 Q CB 0.466 29.207 28.738 0.004 0.000 1.251 138 Q HN -0.266 8.157 8.270 0.020 -0.141 0.411 139 S N 2.370 118.071 115.700 0.001 0.000 2.592 139 S HA 0.370 nan 4.470 nan 0.000 0.271 139 S C -0.736 173.866 174.600 0.003 0.000 1.326 139 S CA 0.201 58.400 58.200 -0.001 0.000 1.024 139 S CB 0.822 64.015 63.200 -0.012 0.000 0.921 139 S HN 0.098 8.406 8.310 -0.004 0.000 0.527 140 I N 2.465 123.039 120.570 0.007 0.000 2.474 140 I HA 0.331 nan 4.170 nan 0.000 0.294 140 I C -2.100 174.022 176.117 0.007 0.000 1.005 140 I CA -0.534 60.774 61.300 0.012 0.000 1.113 140 I CB 2.414 40.428 38.000 0.024 0.000 1.289 140 I HN 0.132 8.345 8.210 0.005 0.000 0.436 141 V N 6.678 126.596 119.914 0.007 0.000 2.656 141 V HA 0.661 nan 4.120 nan 0.000 0.307 141 V C -1.714 174.388 176.094 0.013 0.000 1.051 141 V CA -1.770 60.532 62.300 0.003 0.000 0.893 141 V CB 2.355 34.173 31.823 -0.009 0.000 0.999 141 V HN 0.131 8.327 8.190 0.009 0.000 0.426 142 V N 7.637 127.563 119.914 0.021 0.000 2.588 142 V HA 0.393 nan 4.120 nan 0.000 0.304 142 V C -1.911 174.205 176.094 0.037 0.000 1.042 142 V CA -1.209 61.112 62.300 0.034 0.000 0.877 142 V CB 3.555 35.407 31.823 0.048 0.000 0.996 142 V HN 0.605 8.806 8.190 0.019 0.000 0.425 143 E N 6.382 126.608 120.200 0.043 0.000 2.052 143 E HA 0.177 nan 4.350 nan 0.000 0.283 143 E C 0.264 176.922 176.600 0.096 0.000 1.071 143 E CA -1.058 55.377 56.400 0.057 0.000 0.851 143 E CB 0.691 30.432 29.700 0.068 0.000 1.066 143 E HN 0.476 8.861 8.360 0.042 0.000 0.396 144 A N 8.127 131.019 122.820 0.120 0.000 2.070 144 A HA -0.191 nan 4.320 nan 0.000 0.220 144 A C 0.942 178.627 177.584 0.169 0.000 1.159 144 A CA 2.551 54.677 52.037 0.149 0.000 0.656 144 A CB -0.473 18.641 19.000 0.189 0.000 0.800 144 A HN 0.815 8.933 8.150 0.109 0.097 0.453 145 E N -2.105 118.227 120.200 0.219 0.000 2.233 145 E HA -0.240 nan 4.350 nan 0.000 0.199 145 E C 0.022 176.706 176.600 0.140 0.000 1.004 145 E CA 1.095 57.632 56.400 0.229 0.000 0.819 145 E CB 0.141 30.011 29.700 0.283 0.000 0.738 145 E HN 0.098 8.558 8.360 0.235 0.041 0.478 146 E N -3.448 116.812 120.200 0.100 0.000 6.574 146 E HA -0.288 nan 4.350 nan 0.000 0.171 146 E C -1.088 175.532 176.600 0.033 0.000 1.464 146 E CA 0.841 57.275 56.400 0.056 0.000 2.498 146 E CB -0.025 29.697 29.700 0.038 0.000 1.837 146 E HN -0.250 8.134 8.360 0.106 0.039 0.466 147 T N -0.298 114.259 114.554 0.005 0.000 3.172 147 T HA 0.573 nan 4.350 nan 0.000 0.320 147 T C -1.110 173.567 174.700 -0.039 0.000 1.085 147 T CA 0.029 62.120 62.100 -0.015 0.000 1.052 147 T CB 1.966 70.830 68.868 -0.008 0.000 1.107 147 T HN 0.449 8.688 8.240 -0.000 0.000 0.458 148 G N 1.744 110.500 108.800 -0.073 0.000 2.677 148 G HA2 0.081 nan 3.960 nan 0.000 0.291 148 G HA3 0.081 nan 3.960 nan 0.000 0.291 148 G C -1.965 172.862 174.900 -0.121 0.000 1.435 148 G CA -0.045 44.997 45.100 -0.096 0.000 0.826 148 G HN -0.230 8.011 8.290 -0.082 0.000 0.491 149 N N 0.752 119.392 118.700 -0.100 0.000 2.439 149 N HA 0.118 nan 4.740 nan 0.000 0.243 149 N C -0.194 175.243 175.510 -0.122 0.000 1.088 149 N CA -0.691 52.305 53.050 -0.090 0.000 0.940 149 N CB 0.150 38.607 38.487 -0.051 0.000 1.180 149 N HN 0.059 8.390 8.380 -0.081 0.000 0.505 150 I N 5.941 126.413 120.570 -0.164 0.000 2.293 150 I HA -0.055 nan 4.170 nan 0.000 0.299 150 I C 0.209 176.275 176.117 -0.085 0.000 1.153 150 I CA 0.364 61.538 61.300 -0.209 0.000 1.302 150 I CB -0.829 36.987 38.000 -0.305 0.000 1.460 150 I HN 0.383 8.504 8.210 -0.148 0.000 0.552 151 L N 6.630 127.826 121.223 -0.044 0.000 2.102 151 L HA -0.114 nan 4.340 nan 0.000 0.202 151 L C 0.399 177.291 176.870 0.038 0.000 1.076 151 L CA 1.324 56.166 54.840 0.002 0.000 0.761 151 L CB -0.116 41.951 42.059 0.012 0.000 0.921 151 L HN -0.022 8.175 8.230 -0.055 0.000 0.444 152 D N -1.382 119.062 120.400 0.073 0.000 2.256 152 D HA 0.253 nan 4.640 nan 0.000 0.250 152 D C -0.807 175.580 176.300 0.144 0.000 1.093 152 D CA -2.470 51.598 54.000 0.113 0.000 0.882 152 D CB 1.072 41.962 40.800 0.149 0.000 1.185 152 D HN -0.513 7.899 8.370 0.070 0.000 0.437 153 P HA -0.082 nan 4.420 nan 0.000 0.226 153 P C 0.522 177.901 177.300 0.132 0.000 1.153 153 P CA 1.296 64.465 63.100 0.115 0.000 0.777 153 P CB 0.307 32.050 31.700 0.072 0.000 0.794 154 E N -0.503 119.784 120.200 0.146 0.000 2.265 154 E HA -0.276 nan 4.350 nan 0.000 0.196 154 E C 1.488 178.175 176.600 0.144 0.000 0.996 154 E CA 2.245 58.726 56.400 0.136 0.000 0.832 154 E CB -0.615 29.185 29.700 0.167 0.000 0.756 154 E HN -0.285 8.417 8.360 0.149 -0.253 0.491 155 Y N 0.567 120.925 120.300 0.096 0.000 2.256 155 Y HA -0.382 nan 4.550 nan 0.000 0.288 155 Y C 1.580 177.534 175.900 0.089 0.000 1.155 155 Y CA 3.297 61.459 58.100 0.102 0.000 1.203 155 Y CB 0.035 38.547 38.460 0.085 0.000 0.980 155 Y HN -0.491 7.833 8.280 0.316 0.146 0.530 156 K N -2.202 118.290 120.400 0.153 0.000 2.103 156 K HA -0.341 nan 4.320 nan 0.000 0.207 156 K C 2.338 178.947 176.600 0.016 0.000 1.048 156 K CA 2.308 58.672 56.287 0.127 0.000 0.930 156 K CB -0.845 31.727 32.500 0.121 0.000 0.716 156 K HN -0.251 7.965 8.250 0.201 0.154 0.444 157 L N -2.286 118.853 121.223 -0.140 0.000 2.376 157 L HA -0.164 nan 4.340 nan 0.000 0.219 157 L C 1.451 178.045 176.870 -0.460 0.000 1.133 157 L CA 1.378 55.992 54.840 -0.377 0.000 0.816 157 L CB -0.842 41.087 42.059 -0.216 0.000 0.933 157 L HN -0.452 7.606 8.230 -0.065 0.134 0.449 158 S N 0.908 116.411 115.700 -0.329 0.000 2.402 158 S HA -0.397 nan 4.470 nan 0.000 0.233 158 S C 1.767 176.260 174.600 -0.179 0.000 1.030 158 S CA 3.894 61.931 58.200 -0.272 0.000 1.003 158 S CB -0.329 62.567 63.200 -0.507 0.000 0.813 158 S HN 0.085 8.006 8.310 -0.333 0.189 0.477 159 Y N -0.553 119.730 120.300 -0.029 0.000 2.181 159 Y HA -0.364 nan 4.550 nan 0.000 0.288 159 Y C 1.080 177.046 175.900 0.110 0.000 1.146 159 Y CA 1.698 59.829 58.100 0.052 0.000 1.164 159 Y CB -0.968 37.532 38.460 0.067 0.000 0.982 159 Y HN -0.780 7.387 8.280 -0.152 0.022 0.515 160 F N 0.282 119.849 119.950 -0.638 0.000 2.098 160 F HA -0.241 nan 4.527 nan 0.000 0.294 160 F C 2.349 178.083 175.800 -0.109 0.000 1.107 160 F CA 2.841 60.692 58.000 -0.248 0.000 1.234 160 F CB 0.626 39.420 39.000 -0.344 0.000 1.002 160 F HN -0.347 7.109 8.300 -1.236 0.102 0.472 161 R N -1.628 118.944 120.500 0.121 0.000 2.075 161 R HA -0.268 nan 4.340 nan 0.000 0.232 161 R C 1.844 178.089 176.300 -0.091 0.000 1.126 161 R CA 2.810 58.967 56.100 0.096 0.000 0.963 161 R CB -0.123 30.233 30.300 0.093 0.000 0.858 161 R HN -0.217 8.089 8.270 0.059 0.000 0.435 162 E N -3.774 116.382 120.200 -0.074 0.000 2.427 162 E HA -0.023 nan 4.350 nan 0.000 0.196 162 E C -0.529 176.024 176.600 -0.077 0.000 1.028 162 E CA 0.341 56.706 56.400 -0.058 0.000 0.864 162 E CB 0.345 30.044 29.700 -0.003 0.000 0.813 162 E HN -0.375 7.833 8.360 -0.063 0.115 0.514 163 D N 0.447 120.783 120.400 -0.107 0.000 2.525 163 D HA -0.152 nan 4.640 nan 0.000 0.235 163 D C 0.583 176.830 176.300 -0.088 0.000 1.137 163 D CA 0.817 54.770 54.000 -0.078 0.000 0.868 163 D CB 0.909 41.658 40.800 -0.085 0.000 1.180 163 D HN -0.910 7.204 8.370 -0.147 0.167 0.465 164 I N 6.212 126.740 120.570 -0.071 0.000 2.252 164 I HA -0.228 nan 4.170 nan 0.000 0.245 164 I C 1.054 177.221 176.117 0.084 0.000 1.102 164 I CA 2.943 64.280 61.300 0.062 0.000 1.385 164 I CB 0.502 38.407 38.000 -0.158 0.000 1.064 164 I HN 0.423 8.549 8.210 -0.141 0.000 0.414 165 G N -0.910 107.891 108.800 0.001 0.000 2.418 165 G HA2 -0.283 nan 3.960 nan 0.000 0.217 165 G HA3 -0.283 nan 3.960 nan 0.000 0.217 165 G C 1.390 176.208 174.900 -0.138 0.000 1.158 165 G CA 2.244 47.332 45.100 -0.020 0.000 0.771 165 G HN -0.228 8.265 8.290 0.008 -0.199 0.545 166 I N 2.156 122.534 120.570 -0.319 0.000 2.179 166 I HA -0.459 nan 4.170 nan 0.000 0.242 166 I C 1.773 177.776 176.117 -0.189 0.000 1.088 166 I CA 2.662 63.643 61.300 -0.531 0.000 1.357 166 I CB -1.034 36.552 38.000 -0.690 0.000 1.051 166 I HN -0.355 7.946 8.210 -0.276 -0.257 0.409 167 N N -0.071 118.581 118.700 -0.081 0.000 2.120 167 N HA -0.291 nan 4.740 nan 0.000 0.188 167 N C 2.195 177.821 175.510 0.194 0.000 1.024 167 N CA 3.474 56.532 53.050 0.014 0.000 0.852 167 N CB -0.366 38.057 38.487 -0.106 0.000 1.003 167 N HN -0.587 7.724 8.380 -0.115 0.000 0.424 168 A N 0.017 122.998 122.820 0.267 0.000 1.902 168 A HA -0.270 nan 4.320 nan 0.000 0.217 168 A C 1.849 179.604 177.584 0.284 0.000 1.181 168 A CA 3.053 55.248 52.037 0.264 0.000 0.623 168 A CB -0.731 18.427 19.000 0.265 0.000 0.818 168 A HN -0.171 8.011 8.150 0.231 0.107 0.443 169 H N 0.176 119.394 119.070 0.246 0.000 2.321 169 H HA -0.405 nan 4.556 nan 0.000 0.300 169 H C 1.805 177.376 175.328 0.405 0.000 1.087 169 H CA 3.991 60.245 56.048 0.344 0.000 1.319 169 H CB 0.094 29.945 29.762 0.150 0.000 1.379 169 H HN -0.081 8.376 8.280 0.294 0.000 0.501 170 H N -0.415 118.801 119.070 0.244 0.000 2.387 170 H HA -0.363 nan 4.556 nan 0.000 0.299 170 H C 2.548 178.105 175.328 0.382 0.000 1.090 170 H CA 3.182 59.383 56.048 0.253 0.000 1.332 170 H CB 0.350 30.238 29.762 0.210 0.000 1.386 170 H HN -0.453 8.080 8.280 0.422 0.000 0.516 171 W N 0.393 121.761 121.300 0.114 0.000 2.355 171 W HA -0.414 nan 4.660 nan 0.000 0.309 171 W C 1.600 178.122 176.519 0.005 0.000 1.206 171 W CA 4.139 61.497 57.345 0.021 0.000 1.284 171 W CB -0.329 29.054 29.460 -0.128 0.000 1.145 171 W HN -0.191 8.260 8.180 0.452 0.000 0.502 172 H N -2.480 116.794 119.070 0.340 0.000 2.353 172 H HA -0.363 nan 4.556 nan 0.000 0.300 172 H C 2.197 177.548 175.328 0.037 0.000 1.090 172 H CA 4.248 60.398 56.048 0.171 0.000 1.327 172 H CB -0.278 29.582 29.762 0.164 0.000 1.383 172 H HN -0.316 7.969 8.280 0.139 0.078 0.508 173 W N 0.323 121.579 121.300 -0.073 0.000 2.358 173 W HA -0.456 nan 4.660 nan 0.000 0.303 173 W C 1.781 178.277 176.519 -0.038 0.000 1.208 173 W CA 4.908 62.191 57.345 -0.103 0.000 1.274 173 W CB -0.127 29.171 29.460 -0.271 0.000 1.138 173 W HN 0.503 8.784 8.180 0.169 0.000 0.515 174 H N -3.603 115.653 119.070 0.311 0.000 2.421 174 H HA -0.258 nan 4.556 nan 0.000 0.298 174 H C 2.149 177.454 175.328 -0.038 0.000 1.087 174 H CA 3.827 60.003 56.048 0.212 0.000 1.330 174 H CB -0.120 29.695 29.762 0.088 0.000 1.388 174 H HN -0.711 7.761 8.280 0.320 0.000 0.526 175 I N -1.653 118.885 120.570 -0.054 0.000 2.252 175 I HA -0.292 nan 4.170 nan 0.000 0.245 175 I C 1.312 177.385 176.117 -0.072 0.000 1.102 175 I CA 2.293 63.529 61.300 -0.107 0.000 1.385 175 I CB 0.093 37.999 38.000 -0.156 0.000 1.064 175 I HN -0.770 7.274 8.210 -0.077 0.120 0.414 176 V N -5.171 114.620 119.914 -0.205 0.000 2.427 176 V HA -0.193 nan 4.120 nan 0.000 0.248 176 V C 0.866 176.524 176.094 -0.728 0.000 1.051 176 V CA 2.778 64.842 62.300 -0.395 0.000 1.048 176 V CB -0.317 31.204 31.823 -0.503 0.000 0.666 176 V HN -0.500 7.515 8.190 -0.174 0.071 0.456 177 Y N -1.175 118.782 120.300 -0.573 0.000 2.842 177 Y HA 0.413 nan 4.550 nan 0.000 0.334 177 Y C -2.327 173.431 175.900 -0.237 0.000 1.019 177 Y CA -3.001 54.765 58.100 -0.557 0.000 1.258 177 Y CB -0.134 37.815 38.460 -0.852 0.000 1.106 177 Y HN -0.273 7.705 8.280 -0.503 0.000 0.545 178 P HA 0.075 nan 4.420 nan 0.000 0.278 178 P C -0.316 177.146 177.300 0.270 0.000 1.238 178 P CA -0.753 62.484 63.100 0.228 0.000 0.794 178 P CB 0.426 32.301 31.700 0.292 0.000 0.955 179 A N 3.601 126.579 122.820 0.263 0.000 1.930 179 A HA -0.211 nan 4.320 nan 0.000 0.217 179 A C 0.993 178.689 177.584 0.188 0.000 1.175 179 A CA 3.155 55.308 52.037 0.194 0.000 0.627 179 A CB -0.488 18.592 19.000 0.133 0.000 0.815 179 A HN 0.578 8.896 8.150 0.280 0.000 0.443 180 T N -6.006 108.682 114.554 0.224 0.000 3.035 180 T HA -0.215 nan 4.350 nan 0.000 0.268 180 T C 0.774 175.598 174.700 0.207 0.000 1.109 180 T CA 0.126 62.340 62.100 0.191 0.000 1.119 180 T CB -0.504 68.491 68.868 0.212 0.000 0.900 180 T HN -0.055 8.325 8.240 0.264 0.019 0.503 181 W N 3.352 124.691 121.300 0.065 0.000 2.513 181 W HA -0.387 nan 4.660 nan 0.000 0.339 181 W C -1.760 174.753 176.519 -0.010 0.000 1.257 181 W CA 1.272 58.613 57.345 -0.007 0.000 1.280 181 W CB -0.167 29.269 29.460 -0.039 0.000 1.214 181 W HN -0.751 7.478 8.180 0.411 0.198 0.567 182 N N 8.036 126.454 118.700 -0.470 0.000 2.479 182 N HA 0.341 nan 4.740 nan 0.000 0.261 182 N C -1.659 173.523 175.510 -0.547 0.000 0.979 182 N CA -3.081 49.771 53.050 -0.330 0.000 0.930 182 N CB 1.985 40.328 38.487 -0.240 0.000 1.172 182 N HN -0.060 7.871 8.380 -0.748 0.000 0.499 183 P HA -0.058 nan 4.420 nan 0.000 0.221 183 P C 0.858 178.093 177.300 -0.107 0.000 1.150 183 P CA 1.755 64.802 63.100 -0.089 0.000 0.800 183 P CB 0.452 32.266 31.700 0.190 0.000 0.787 184 T N -4.953 109.543 114.554 -0.097 0.000 2.737 184 T HA -0.238 nan 4.350 nan 0.000 0.265 184 T C 1.550 176.183 174.700 -0.111 0.000 1.038 184 T CA 3.033 65.091 62.100 -0.069 0.000 1.144 184 T CB -0.527 68.312 68.868 -0.048 0.000 0.866 184 T HN 0.333 8.797 8.240 -0.095 -0.281 0.434 185 V N 1.476 121.281 119.914 -0.183 0.000 2.261 185 V HA -0.283 nan 4.120 nan 0.000 0.246 185 V C 1.945 177.906 176.094 -0.221 0.000 1.047 185 V CA 2.793 64.977 62.300 -0.193 0.000 1.015 185 V CB -0.240 31.436 31.823 -0.246 0.000 0.642 185 V HN -0.492 7.782 8.190 -0.201 -0.205 0.446 186 M N -2.423 116.952 119.600 -0.376 0.000 2.132 186 M HA -0.151 nan 4.480 nan 0.000 0.263 186 M C 1.439 177.677 176.300 -0.104 0.000 1.065 186 M CA 1.417 56.522 55.300 -0.324 0.000 1.122 186 M CB 0.366 32.603 32.600 -0.605 0.000 1.365 186 M HN -0.309 7.673 8.290 -0.514 0.000 0.411 187 G N -3.193 105.560 108.800 -0.078 0.000 2.345 187 G HA2 -0.397 nan 3.960 nan 0.000 0.218 187 G HA3 -0.397 nan 3.960 nan 0.000 0.218 187 G C -1.635 173.309 174.900 0.072 0.000 1.058 187 G CA 0.375 45.479 45.100 0.007 0.000 0.632 187 G HN 0.131 8.136 8.290 -0.139 0.202 0.508 188 K N 0.816 121.296 120.400 0.133 0.000 2.087 188 K HA 0.165 nan 4.320 nan 0.000 0.255 188 K C -1.310 175.517 176.600 0.379 0.000 0.988 188 K CA -1.299 55.124 56.287 0.227 0.000 0.915 188 K CB 1.015 33.668 32.500 0.255 0.000 1.043 188 K HN -0.289 7.926 8.250 0.104 0.097 0.457 189 E N -0.933 119.449 120.200 0.303 0.000 2.277 189 E HA 0.211 nan 4.350 nan 0.000 0.266 189 E C -0.887 175.781 176.600 0.113 0.000 0.901 189 E CA -1.973 54.628 56.400 0.335 0.000 0.782 189 E CB 2.194 32.028 29.700 0.224 0.000 1.228 189 E HN 0.044 8.527 8.360 0.205 0.000 0.424 190 K N 1.128 121.479 120.400 -0.081 0.000 2.262 190 K HA 0.137 nan 4.320 nan 0.000 0.282 190 K C -0.665 175.952 176.600 0.030 0.000 1.066 190 K CA -1.500 54.669 56.287 -0.196 0.000 0.901 190 K CB 0.212 32.446 32.500 -0.443 0.000 1.089 190 K HN 0.387 8.621 8.250 -0.027 0.000 0.476 191 D N 4.147 124.595 120.400 0.081 0.000 2.425 191 D HA -0.079 nan 4.640 nan 0.000 0.247 191 D C 0.119 176.489 176.300 0.117 0.000 1.147 191 D CA 1.085 55.148 54.000 0.106 0.000 0.879 191 D CB 0.345 41.213 40.800 0.112 0.000 1.179 191 D HN 0.142 8.548 8.370 0.059 0.000 0.456 192 R N -0.284 120.264 120.500 0.080 0.000 3.416 192 R HA -0.506 nan 4.340 nan 0.000 0.263 192 R C 0.657 176.973 176.300 0.027 0.000 1.053 192 R CA 0.985 57.110 56.100 0.043 0.000 0.705 192 R CB -2.265 28.029 30.300 -0.011 0.000 1.124 192 R HN 0.737 9.058 8.270 0.084 0.000 0.444 193 K N -1.560 118.877 120.400 0.062 0.000 2.097 193 K HA -0.222 nan 4.320 nan 0.000 0.205 193 K C 1.670 178.321 176.600 0.085 0.000 1.050 193 K CA 2.778 59.072 56.287 0.012 0.000 0.938 193 K CB -0.636 31.957 32.500 0.154 0.000 0.718 193 K HN -0.358 7.945 8.250 0.089 0.000 0.442 194 G N -0.668 108.205 108.800 0.122 0.000 2.418 194 G HA2 -0.322 nan 3.960 nan 0.000 0.217 194 G HA3 -0.322 nan 3.960 nan 0.000 0.217 194 G C 0.874 175.912 174.900 0.229 0.000 1.158 194 G CA 2.050 47.254 45.100 0.174 0.000 0.771 194 G HN -0.162 8.350 8.290 0.102 -0.161 0.545 195 E N 1.590 121.874 120.200 0.141 0.000 2.106 195 E HA -0.185 nan 4.350 nan 0.000 0.192 195 E C 1.891 178.598 176.600 0.180 0.000 0.984 195 E CA 2.183 58.667 56.400 0.141 0.000 0.806 195 E CB -0.249 29.474 29.700 0.039 0.000 0.750 195 E HN -0.608 7.907 8.360 0.095 -0.098 0.458 196 L N 0.028 121.310 121.223 0.098 0.000 2.083 196 L HA -0.335 nan 4.340 nan 0.000 0.209 196 L C 1.259 178.276 176.870 0.246 0.000 1.083 196 L CA 3.145 58.049 54.840 0.107 0.000 0.752 196 L CB -0.285 41.715 42.059 -0.099 0.000 0.899 196 L HN -0.037 8.142 8.230 0.040 0.075 0.433 197 F N 0.689 120.766 119.950 0.212 0.000 2.095 197 F HA -0.482 nan 4.527 nan 0.000 0.298 197 F C 1.163 176.973 175.800 0.017 0.000 1.104 197 F CA 4.165 62.292 58.000 0.211 0.000 1.232 197 F CB -0.064 39.069 39.000 0.222 0.000 0.987 197 F HN 0.215 8.682 8.300 0.417 0.084 0.475 198 F N 0.271 120.125 119.950 -0.160 0.000 2.102 198 F HA -0.484 nan 4.527 nan 0.000 0.298 198 F C 0.803 176.353 175.800 -0.416 0.000 1.105 198 F CA 3.729 61.364 58.000 -0.608 0.000 1.239 198 F CB -0.104 38.433 39.000 -0.771 0.000 0.991 198 F HN -0.476 7.944 8.300 0.338 0.083 0.474 199 Y N -0.116 119.840 120.300 -0.574 0.000 2.163 199 Y HA -0.531 nan 4.550 nan 0.000 0.288 199 Y C 1.516 177.059 175.900 -0.594 0.000 1.136 199 Y CA 3.806 61.542 58.100 -0.606 0.000 1.147 199 Y CB 0.107 38.461 38.460 -0.178 0.000 0.987 199 Y HN 0.082 8.336 8.280 0.085 0.077 0.509 200 M N -0.755 118.522 119.600 -0.538 0.000 2.086 200 M HA -0.469 nan 4.480 nan 0.000 0.261 200 M C 1.909 177.675 176.300 -0.890 0.000 1.067 200 M CA 2.732 57.574 55.300 -0.764 0.000 1.116 200 M CB -0.414 31.595 32.600 -0.985 0.000 1.348 200 M HN 0.328 8.445 8.290 -0.288 0.000 0.407 201 H N -1.640 116.935 119.070 -0.826 0.000 2.389 201 H HA -0.264 nan 4.556 nan 0.000 0.299 201 H C 2.501 177.521 175.328 -0.514 0.000 1.081 201 H CA 4.617 60.314 56.048 -0.584 0.000 1.345 201 H CB -0.335 29.105 29.762 -0.535 0.000 1.393 201 H HN -0.498 7.348 8.280 -0.723 0.000 0.520 202 Q N -0.562 118.848 119.800 -0.650 0.000 2.084 202 Q HA -0.353 nan 4.340 nan 0.000 0.202 202 Q C 2.392 178.079 176.000 -0.522 0.000 0.978 202 Q CA 3.327 58.770 55.803 -0.601 0.000 0.844 202 Q CB -0.348 27.825 28.738 -0.942 0.000 0.898 202 Q HN -0.196 7.445 8.270 -0.880 0.101 0.426 203 Q N -0.675 118.665 119.800 -0.766 0.000 2.119 203 Q HA -0.271 nan 4.340 nan 0.000 0.201 203 Q C 2.639 178.314 176.000 -0.542 0.000 0.972 203 Q CA 2.695 58.055 55.803 -0.738 0.000 0.847 203 Q CB -0.310 27.735 28.738 -1.155 0.000 0.903 203 Q HN 0.020 7.693 8.270 -0.994 0.000 0.433 204 M N -0.075 119.245 119.600 -0.466 0.000 2.117 204 M HA -0.394 nan 4.480 nan 0.000 0.262 204 M C 2.302 178.651 176.300 0.082 0.000 1.065 204 M CA 4.390 59.610 55.300 -0.132 0.000 1.114 204 M CB -0.081 32.520 32.600 0.002 0.000 1.361 204 M HN -0.137 7.737 8.290 -0.574 0.071 0.408 205 C N -1.001 118.331 119.300 0.055 0.000 2.446 205 C HA -0.343 nan 4.460 nan 0.000 0.277 205 C C 1.829 176.849 174.990 0.049 0.000 1.275 205 C CA 4.047 63.166 59.018 0.167 0.000 1.727 205 C CB -2.107 25.708 27.740 0.125 0.000 2.010 205 C HN -0.106 8.094 8.230 -0.050 0.000 0.486 206 A N -0.040 122.734 122.820 -0.077 0.000 1.902 206 A HA -0.339 nan 4.320 nan 0.000 0.217 206 A C 1.934 179.453 177.584 -0.109 0.000 1.181 206 A CA 3.370 55.347 52.037 -0.100 0.000 0.623 206 A CB -0.953 17.966 19.000 -0.136 0.000 0.818 206 A HN 0.571 8.464 8.150 -0.143 0.171 0.443 207 R N -1.962 118.464 120.500 -0.123 0.000 2.096 207 R HA -0.352 nan 4.340 nan 0.000 0.235 207 R C 2.270 178.410 176.300 -0.266 0.000 1.127 207 R CA 3.166 59.200 56.100 -0.110 0.000 0.968 207 R CB -0.047 30.262 30.300 0.013 0.000 0.861 207 R HN 0.227 8.292 8.270 -0.149 0.116 0.440 208 Y N 1.061 121.078 120.300 -0.472 0.000 2.181 208 Y HA -0.427 nan 4.550 nan 0.000 0.288 208 Y C 1.378 176.967 175.900 -0.518 0.000 1.146 208 Y CA 3.246 60.864 58.100 -0.803 0.000 1.164 208 Y CB -0.096 37.871 38.460 -0.822 0.000 0.982 208 Y HN -0.098 8.067 8.280 -0.056 0.082 0.515 209 D N -1.695 118.536 120.400 -0.282 0.000 2.178 209 D HA -0.339 nan 4.640 nan 0.000 0.201 209 D C 2.620 178.762 176.300 -0.263 0.000 0.980 209 D CA 3.331 57.176 54.000 -0.259 0.000 0.842 209 D CB -0.834 39.899 40.800 -0.112 0.000 0.948 209 D HN 0.189 8.431 8.370 -0.100 0.068 0.472 210 S N -1.238 114.341 115.700 -0.201 0.000 2.423 210 S HA -0.245 nan 4.470 nan 0.000 0.231 210 S C 1.918 176.461 174.600 -0.096 0.000 1.014 210 S CA 3.438 61.595 58.200 -0.072 0.000 0.965 210 S CB -0.240 62.965 63.200 0.008 0.000 0.785 210 S HN -0.301 7.803 8.310 -0.194 0.089 0.495 211 E N 1.457 121.486 120.200 -0.285 0.000 2.072 211 E HA -0.258 nan 4.350 nan 0.000 0.191 211 E C 2.604 179.044 176.600 -0.266 0.000 0.985 211 E CA 2.823 59.072 56.400 -0.252 0.000 0.801 211 E CB -0.453 28.954 29.700 -0.489 0.000 0.750 211 E HN -0.507 7.456 8.360 -0.441 0.132 0.452 212 R N -0.576 119.654 120.500 -0.449 0.000 2.073 212 R HA -0.280 nan 4.340 nan 0.000 0.234 212 R C 2.728 178.927 176.300 -0.169 0.000 1.134 212 R CA 3.317 59.214 56.100 -0.338 0.000 0.952 212 R CB -0.134 29.943 30.300 -0.372 0.000 0.850 212 R HN -0.458 7.357 8.270 -0.633 0.075 0.433 213 L N -1.184 119.957 121.223 -0.136 0.000 2.083 213 L HA -0.268 nan 4.340 nan 0.000 0.209 213 L C 2.733 179.580 176.870 -0.038 0.000 1.083 213 L CA 3.116 57.908 54.840 -0.080 0.000 0.752 213 L CB -0.574 41.439 42.059 -0.077 0.000 0.899 213 L HN -0.045 8.082 8.230 -0.171 0.000 0.433 214 S N 0.606 116.317 115.700 0.019 0.000 2.382 214 S HA -0.377 nan 4.470 nan 0.000 0.228 214 S C 1.631 176.243 174.600 0.019 0.000 1.027 214 S CA 3.961 62.208 58.200 0.079 0.000 0.991 214 S CB -0.429 62.854 63.200 0.138 0.000 0.823 214 S HN -0.018 8.189 8.310 0.003 0.105 0.469 215 N N -0.933 117.761 118.700 -0.010 0.000 2.396 215 N HA -0.205 nan 4.740 nan 0.000 0.180 215 N C 0.673 176.167 175.510 -0.027 0.000 1.028 215 N CA 1.391 54.432 53.050 -0.015 0.000 0.893 215 N CB 0.426 38.895 38.487 -0.030 0.000 0.967 215 N HN -0.224 8.033 8.380 -0.031 0.104 0.440 216 G N -2.536 106.238 108.800 -0.043 0.000 2.144 216 G HA2 -0.373 nan 3.960 nan 0.000 0.218 216 G HA3 -0.373 nan 3.960 nan 0.000 0.218 216 G C -0.769 174.105 174.900 -0.043 0.000 0.988 216 G CA -0.029 45.044 45.100 -0.046 0.000 0.659 216 G HN -0.410 7.664 8.290 -0.050 0.186 0.522 217 L N -1.048 120.142 121.223 -0.056 0.000 2.375 217 L HA 0.293 nan 4.340 nan 0.000 0.268 217 L C -0.600 176.233 176.870 -0.061 0.000 1.058 217 L CA -1.279 53.529 54.840 -0.053 0.000 0.803 217 L CB 1.858 43.877 42.059 -0.067 0.000 1.212 217 L HN 0.199 8.248 8.230 -0.069 0.139 0.451 218 Q N -2.332 117.444 119.800 -0.040 0.000 2.318 218 Q HA 0.145 nan 4.340 nan 0.000 0.222 218 Q C -0.556 175.417 176.000 -0.044 0.000 1.003 218 Q CA -0.759 55.022 55.803 -0.036 0.000 0.936 218 Q CB 1.116 29.844 28.738 -0.016 0.000 1.204 218 Q HN 0.039 8.294 8.270 -0.026 0.000 0.524 219 R N -0.802 119.675 120.500 -0.038 0.000 2.641 219 R HA -0.067 nan 4.340 nan 0.000 0.269 219 R C 0.109 176.420 176.300 0.019 0.000 1.074 219 R CA 0.079 56.160 56.100 -0.031 0.000 1.133 219 R CB 0.593 30.876 30.300 -0.029 0.000 1.029 219 R HN -0.257 8.190 8.270 -0.037 -0.199 0.488 220 M N 1.501 121.141 119.600 0.067 0.000 2.248 220 M HA -0.068 nan 4.480 nan 0.000 0.337 220 M C 0.488 176.851 176.300 0.105 0.000 1.121 220 M CA 0.282 55.659 55.300 0.129 0.000 1.155 220 M CB 0.583 33.319 32.600 0.225 0.000 1.514 220 M HN 0.080 8.591 8.290 0.062 -0.184 0.452 221 I N 2.850 123.486 120.570 0.111 0.000 2.525 221 I HA 0.448 nan 4.170 nan 0.000 0.301 221 I C -1.783 174.414 176.117 0.134 0.000 0.992 221 I CA -3.489 57.869 61.300 0.097 0.000 1.162 221 I CB 1.820 39.865 38.000 0.075 0.000 1.332 221 I HN -0.044 8.241 8.210 0.124 0.000 0.458 222 P HA 0.084 nan 4.420 nan 0.000 0.274 222 P C -1.423 176.005 177.300 0.213 0.000 1.231 222 P CA -0.863 62.350 63.100 0.187 0.000 0.790 222 P CB 0.598 32.408 31.700 0.185 0.000 0.951 223 F N 3.923 123.915 119.950 0.069 0.000 2.541 223 F HA -0.009 nan 4.527 nan 0.000 0.351 223 F C -1.272 174.407 175.800 -0.201 0.000 1.209 223 F CA -1.403 56.557 58.000 -0.065 0.000 1.277 223 F CB -0.781 38.146 39.000 -0.122 0.000 1.632 223 F HN -0.152 8.267 8.300 0.324 0.076 0.619 224 H N 5.455 124.374 119.070 -0.252 0.000 2.363 224 H HA -0.122 nan 4.556 nan 0.000 0.301 224 H C -0.747 174.360 175.328 -0.368 0.000 1.074 224 H CA 2.815 58.825 56.048 -0.063 0.000 1.354 224 H CB 0.789 30.594 29.762 0.072 0.000 1.397 224 H HN -0.493 7.750 8.280 0.028 0.053 0.516 225 N N -2.436 115.992 118.700 -0.453 0.000 2.426 225 N HA -0.059 nan 4.740 nan 0.000 0.275 225 N C 1.156 176.212 175.510 -0.757 0.000 1.019 225 N CA -1.114 51.743 53.050 -0.322 0.000 0.941 225 N CB 0.357 38.762 38.487 -0.136 0.000 1.123 225 N HN -0.414 7.590 8.380 -0.626 0.000 0.486 226 F N 5.107 124.838 119.950 -0.365 0.000 2.234 226 F HA -0.241 nan 4.527 nan 0.000 0.299 226 F C 0.528 176.338 175.800 0.016 0.000 1.087 226 F CA 2.613 60.577 58.000 -0.060 0.000 1.340 226 F CB 0.060 39.056 39.000 -0.006 0.000 1.031 226 F HN 0.677 9.194 8.300 0.362 0.000 0.500 227 D N -4.647 115.812 120.400 0.099 0.000 2.144 227 D HA -0.128 nan 4.640 nan 0.000 0.200 227 D C 0.348 176.673 176.300 0.043 0.000 0.978 227 D CA 2.115 56.152 54.000 0.062 0.000 0.833 227 D CB 0.132 40.950 40.800 0.031 0.000 0.961 227 D HN -0.024 8.752 8.370 0.096 -0.349 0.470 228 E N -0.269 119.923 120.200 -0.014 0.000 2.413 228 E HA -0.006 nan 4.350 nan 0.000 0.263 228 E C -1.814 174.872 176.600 0.142 0.000 1.015 228 E CA -1.630 54.786 56.400 0.028 0.000 0.916 228 E CB -0.691 28.987 29.700 -0.037 0.000 0.947 228 E HN -0.897 7.359 8.360 -0.128 0.027 0.440 229 P HA 0.183 nan 4.420 nan 0.000 0.275 229 P C -1.811 175.589 177.300 0.167 0.000 1.228 229 P CA -0.329 62.841 63.100 0.116 0.000 0.786 229 P CB 0.655 32.391 31.700 0.060 0.000 0.927 230 L N 1.095 122.418 121.223 0.167 0.000 2.399 230 L HA 0.142 nan 4.340 nan 0.000 0.265 230 L C -0.120 176.839 176.870 0.148 0.000 1.089 230 L CA -0.650 54.269 54.840 0.131 0.000 0.802 230 L CB 0.856 42.932 42.059 0.029 0.000 1.180 230 L HN -0.147 8.158 8.230 0.187 0.038 0.454 231 E N 0.386 120.658 120.200 0.121 0.000 2.366 231 E HA -0.027 nan 4.350 nan 0.000 0.266 231 E C 0.096 176.768 176.600 0.119 0.000 1.051 231 E CA 0.050 56.526 56.400 0.127 0.000 0.884 231 E CB 0.845 30.619 29.700 0.123 0.000 1.006 231 E HN 0.151 8.572 8.360 0.102 0.000 0.417 232 G N 0.509 109.385 108.800 0.126 0.000 2.476 232 G HA2 0.268 nan 3.960 nan 0.000 0.286 232 G HA3 0.268 nan 3.960 nan 0.000 0.286 232 G C -2.090 172.910 174.900 0.168 0.000 1.177 232 G CA -0.418 44.737 45.100 0.092 0.000 0.870 232 G HN 0.022 8.392 8.290 0.133 0.000 0.528 233 Y N 1.390 121.681 120.300 -0.015 0.000 2.441 233 Y HA 0.081 nan 4.550 nan 0.000 0.334 233 Y C -2.318 173.570 175.900 -0.021 0.000 1.061 233 Y CA -0.285 57.821 58.100 0.010 0.000 1.032 233 Y CB 3.662 42.131 38.460 0.015 0.000 1.266 233 Y HN 0.029 8.352 8.280 0.071 0.000 0.441 234 A N 7.945 130.293 122.820 -0.787 0.000 2.291 234 A HA 0.509 nan 4.320 nan 0.000 0.311 234 A C -1.704 175.375 177.584 -0.841 0.000 1.224 234 A CA -3.558 48.099 52.037 -0.634 0.000 0.821 234 A CB 0.622 19.309 19.000 -0.523 0.000 1.172 234 A HN 0.476 8.035 8.150 -0.984 0.000 0.494 235 P HA -0.110 nan 4.420 nan 0.000 0.220 235 P C -0.812 176.534 177.300 0.076 0.000 1.152 235 P CA 1.034 64.085 63.100 -0.081 0.000 0.812 235 P CB 0.328 32.091 31.700 0.105 0.000 0.792 236 H N -5.668 113.386 119.070 -0.026 0.000 2.756 236 H HA -0.314 nan 4.556 nan 0.000 0.315 236 H C -1.561 173.813 175.328 0.075 0.000 1.210 236 H CA 0.305 56.366 56.048 0.022 0.000 1.150 236 H CB -1.871 27.900 29.762 0.015 0.000 1.463 236 H HN 0.265 8.301 8.280 -0.408 0.000 0.427 237 L N -2.902 118.436 121.223 0.191 0.000 2.346 237 L HA 0.606 nan 4.340 nan 0.000 0.274 237 L C -0.534 176.466 176.870 0.216 0.000 1.007 237 L CA -0.851 54.129 54.840 0.233 0.000 0.818 237 L CB 2.427 44.691 42.059 0.340 0.000 1.284 237 L HN -0.326 8.001 8.230 0.161 0.000 0.424 238 T N -1.518 113.137 114.554 0.167 0.000 2.940 238 T HA 0.585 nan 4.350 nan 0.000 0.288 238 T C -0.489 174.263 174.700 0.086 0.000 1.033 238 T CA -2.238 59.922 62.100 0.100 0.000 1.033 238 T CB 2.171 71.090 68.868 0.085 0.000 1.079 238 T HN 0.277 8.623 8.240 0.177 0.000 0.496 239 S N 1.529 117.238 115.700 0.015 0.000 2.456 239 S HA 0.481 nan 4.470 nan 0.000 0.316 239 S C 1.532 176.165 174.600 0.055 0.000 1.089 239 S CA -1.997 56.218 58.200 0.025 0.000 1.101 239 S CB 1.573 64.734 63.200 -0.064 0.000 0.995 239 S HN 0.266 8.572 8.310 -0.008 0.000 0.468 240 L N 2.010 123.293 121.223 0.100 0.000 2.012 240 L HA -0.210 nan 4.340 nan 0.000 0.210 240 L C 0.901 177.820 176.870 0.081 0.000 1.073 240 L CA 2.825 57.721 54.840 0.093 0.000 0.748 240 L CB -0.912 41.213 42.059 0.110 0.000 0.891 240 L HN -0.133 8.402 8.230 0.135 -0.224 0.431 241 V N -5.556 114.418 119.914 0.101 0.000 2.353 241 V HA -0.364 nan 4.120 nan 0.000 0.260 241 V C 0.620 176.750 176.094 0.061 0.000 1.091 241 V CA 1.270 63.624 62.300 0.091 0.000 1.088 241 V CB -0.556 31.332 31.823 0.109 0.000 0.672 241 V HN 0.404 8.675 8.190 0.135 0.000 0.455 242 S N -1.257 114.469 115.700 0.044 0.000 2.843 242 S HA 0.314 nan 4.470 nan 0.000 0.301 242 S C 0.364 174.977 174.600 0.022 0.000 1.206 242 S CA -0.503 57.716 58.200 0.031 0.000 0.875 242 S CB 2.162 65.377 63.200 0.027 0.000 1.248 242 S HN -0.750 7.523 8.310 0.043 0.063 0.555 243 G N 0.988 109.797 108.800 0.015 0.000 2.712 243 G HA2 -0.034 nan 3.960 nan 0.000 0.212 243 G HA3 -0.034 nan 3.960 nan 0.000 0.212 243 G C 0.007 174.908 174.900 0.001 0.000 1.142 243 G CA 0.529 45.636 45.100 0.012 0.000 0.789 243 G HN 0.058 8.357 8.290 0.015 0.000 0.535 244 L N -0.335 120.882 121.223 -0.010 0.000 2.483 244 L HA -0.043 nan 4.340 nan 0.000 0.275 244 L C -1.081 175.745 176.870 -0.073 0.000 1.220 244 L CA 0.654 55.472 54.840 -0.037 0.000 0.833 244 L CB 0.569 42.606 42.059 -0.036 0.000 1.102 244 L HN -0.592 7.546 8.230 -0.003 0.091 0.490 245 Q N -2.612 117.128 119.800 -0.100 0.000 2.630 245 Q HA 0.269 nan 4.340 nan 0.000 0.295 245 Q C -1.759 174.160 176.000 -0.137 0.000 0.944 245 Q CA -1.318 54.414 55.803 -0.119 0.000 0.766 245 Q CB 2.929 31.660 28.738 -0.013 0.000 1.471 245 Q HN -0.158 8.061 8.270 -0.084 0.000 0.416 246 Y N -0.644 119.663 120.300 0.011 0.000 2.442 246 Y HA -0.176 nan 4.550 nan 0.000 0.330 246 Y C 0.044 175.930 175.900 -0.025 0.000 1.129 246 Y CA 0.597 58.701 58.100 0.007 0.000 1.365 246 Y CB 0.314 38.787 38.460 0.022 0.000 1.233 246 Y HN -0.485 7.882 8.280 0.145 0.000 0.529 247 A N 5.405 128.285 122.820 0.100 0.000 2.425 247 A HA 0.048 nan 4.320 nan 0.000 0.249 247 A C -1.335 176.244 177.584 -0.008 0.000 1.084 247 A CA -0.242 51.800 52.037 0.010 0.000 0.781 247 A CB 0.821 19.806 19.000 -0.024 0.000 1.019 247 A HN -0.255 7.957 8.150 0.104 0.000 0.490 248 S N 0.872 116.524 115.700 -0.081 0.000 2.645 248 S HA 0.323 nan 4.470 nan 0.000 0.266 248 S C -0.572 173.940 174.600 -0.147 0.000 1.258 248 S CA -0.552 57.575 58.200 -0.122 0.000 0.990 248 S CB 1.278 64.362 63.200 -0.193 0.000 0.967 248 S HN -0.083 8.169 8.310 -0.097 0.000 0.556 249 R N 0.770 121.177 120.500 -0.154 0.000 2.439 249 R HA 0.573 nan 4.340 nan 0.000 0.310 249 R C -2.419 173.744 176.300 -0.229 0.000 0.955 249 R CA -3.005 52.938 56.100 -0.261 0.000 0.853 249 R CB 1.986 32.164 30.300 -0.202 0.000 1.171 249 R HN 0.187 8.388 8.270 -0.115 0.000 0.449 250 P HA 0.008 nan 4.420 nan 0.000 0.275 250 P C -1.727 175.644 177.300 0.118 0.000 1.266 250 P CA -0.802 62.273 63.100 -0.041 0.000 0.793 250 P CB 0.565 32.318 31.700 0.088 0.000 1.074 251 E N -1.631 118.701 120.200 0.220 0.000 2.349 251 E HA -0.112 nan 4.350 nan 0.000 0.265 251 E C 0.452 177.252 176.600 0.334 0.000 1.064 251 E CA -0.738 55.808 56.400 0.244 0.000 0.886 251 E CB 0.094 29.882 29.700 0.147 0.000 1.036 251 E HN -0.122 8.348 8.360 0.183 0.000 0.413 252 G N 1.250 110.209 108.800 0.265 0.000 2.401 252 G HA2 -0.371 nan 3.960 nan 0.000 0.283 252 G HA3 -0.371 nan 3.960 nan 0.000 0.283 252 G C -1.320 173.569 174.900 -0.018 0.000 1.117 252 G CA 0.202 45.371 45.100 0.114 0.000 1.051 252 G HN 0.003 8.446 8.290 0.255 0.000 0.510 253 Y N -0.049 120.270 120.300 0.033 0.000 2.369 253 Y HA 0.102 nan 4.550 nan 0.000 0.337 253 Y C -0.747 175.140 175.900 -0.021 0.000 0.961 253 Y CA -1.909 56.204 58.100 0.021 0.000 1.186 253 Y CB 0.703 39.170 38.460 0.011 0.000 1.139 253 Y HN -0.611 7.939 8.280 0.344 -0.064 0.494 254 S N 3.043 118.707 115.700 -0.060 0.000 2.608 254 S HA -0.016 nan 4.470 nan 0.000 0.261 254 S C -0.999 173.394 174.600 -0.346 0.000 1.314 254 S CA -0.838 57.311 58.200 -0.084 0.000 0.992 254 S CB 0.805 63.983 63.200 -0.036 0.000 0.935 254 S HN 0.348 8.587 8.310 -0.117 0.000 0.564 255 I N 2.604 123.022 120.570 -0.254 0.000 2.396 255 I HA 0.148 nan 4.170 nan 0.000 0.292 255 I C -1.689 174.227 176.117 -0.335 0.000 0.999 255 I CA -0.999 60.129 61.300 -0.286 0.000 1.310 255 I CB 1.205 39.210 38.000 0.007 0.000 1.404 255 I HN 0.207 8.358 8.210 -0.099 0.000 0.496 256 H N 6.423 125.534 119.070 0.068 0.000 2.637 256 H HA 0.293 nan 4.556 nan 0.000 0.363 256 H C -1.348 174.000 175.328 0.033 0.000 1.131 256 H CA -1.542 54.536 56.048 0.051 0.000 1.183 256 H CB 2.556 32.359 29.762 0.069 0.000 1.637 256 H HN 0.154 8.320 8.280 -0.190 0.000 0.531 257 D N 2.161 122.640 120.400 0.132 0.000 2.399 257 D HA 0.184 nan 4.640 nan 0.000 0.241 257 D C -0.621 175.719 176.300 0.066 0.000 1.133 257 D CA 0.506 54.534 54.000 0.047 0.000 0.890 257 D CB 0.691 41.495 40.800 0.008 0.000 1.201 257 D HN 0.177 8.642 8.370 0.157 0.000 0.432 258 L N 0.678 121.920 121.223 0.032 0.000 2.304 258 L HA 0.335 nan 4.340 nan 0.000 0.268 258 L C 0.133 177.019 176.870 0.027 0.000 1.010 258 L CA -1.358 53.518 54.840 0.060 0.000 0.813 258 L CB 2.434 44.551 42.059 0.097 0.000 1.315 258 L HN 0.650 8.870 8.230 -0.016 0.000 0.445 259 S N 0.460 116.189 115.700 0.048 0.000 2.368 259 S HA -0.259 nan 4.470 nan 0.000 0.225 259 S C 0.947 175.561 174.600 0.023 0.000 1.030 259 S CA 3.380 61.598 58.200 0.030 0.000 0.999 259 S CB 0.162 63.385 63.200 0.038 0.000 0.844 259 S HN 1.043 9.396 8.310 0.070 0.000 0.459 260 D N -1.645 118.796 120.400 0.069 0.000 2.117 260 D HA -0.052 nan 4.640 nan 0.000 0.198 260 D C -0.958 175.247 176.300 -0.159 0.000 0.982 260 D CA 1.807 55.864 54.000 0.094 0.000 0.828 260 D CB 0.532 41.588 40.800 0.427 0.000 0.967 260 D HN 0.148 8.583 8.370 0.108 -0.001 0.464 261 V N -2.018 117.734 119.914 -0.270 0.000 2.777 261 V HA 0.178 nan 4.120 nan 0.000 0.306 261 V C -2.128 173.799 176.094 -0.277 0.000 1.112 261 V CA -1.642 60.387 62.300 -0.452 0.000 0.917 261 V CB 3.583 34.817 31.823 -0.982 0.000 1.018 261 V HN -0.521 7.491 8.190 -0.133 0.097 0.426 262 D N 4.689 124.926 120.400 -0.271 0.000 2.312 262 D HA 0.159 nan 4.640 nan 0.000 0.252 262 D C 1.230 177.358 176.300 -0.287 0.000 1.150 262 D CA -0.491 53.376 54.000 -0.221 0.000 0.870 262 D CB 0.549 41.239 40.800 -0.183 0.000 1.153 262 D HN 0.050 8.247 8.370 -0.288 0.000 0.457 263 V N 3.742 123.542 119.914 -0.190 0.000 2.794 263 V HA -0.471 nan 4.120 nan 0.000 0.260 263 V C 1.649 177.556 176.094 -0.311 0.000 1.103 263 V CA 3.419 65.614 62.300 -0.174 0.000 1.125 263 V CB -1.506 30.302 31.823 -0.025 0.000 0.702 263 V HN 0.550 8.920 8.190 -0.122 -0.254 0.494 264 Q N 0.277 119.895 119.800 -0.303 0.000 2.045 264 Q HA -0.498 nan 4.340 nan 0.000 0.206 264 Q C 1.754 177.440 176.000 -0.524 0.000 0.991 264 Q CA 3.757 59.348 55.803 -0.354 0.000 0.851 264 Q CB -0.467 28.108 28.738 -0.271 0.000 0.911 264 Q HN -0.156 7.937 8.270 -0.235 0.035 0.418 265 D N -0.368 119.625 120.400 -0.677 0.000 2.178 265 D HA -0.229 nan 4.640 nan 0.000 0.202 265 D C 2.542 177.818 176.300 -1.707 0.000 0.974 265 D CA 3.047 56.354 54.000 -1.155 0.000 0.841 265 D CB -0.614 39.496 40.800 -1.151 0.000 0.953 265 D HN 0.062 7.994 8.370 -0.568 0.098 0.478 266 M N -1.369 117.565 119.600 -1.111 0.000 2.088 266 M HA -0.397 nan 4.480 nan 0.000 0.256 266 M C 2.243 178.292 176.300 -0.417 0.000 1.071 266 M CA 3.345 58.406 55.300 -0.397 0.000 1.097 266 M CB -1.209 31.320 32.600 -0.117 0.000 1.315 266 M HN -0.553 7.186 8.290 -0.918 0.000 0.406 267 V N -0.793 118.732 119.914 -0.649 0.000 2.358 267 V HA -0.467 nan 4.120 nan 0.000 0.246 267 V C 2.368 178.255 176.094 -0.345 0.000 1.047 267 V CA 3.873 65.833 62.300 -0.568 0.000 1.035 267 V CB -1.105 30.377 31.823 -0.568 0.000 0.658 267 V HN -0.206 7.474 8.190 -0.671 0.108 0.452 268 R N -0.491 119.758 120.500 -0.419 0.000 2.096 268 R HA -0.411 nan 4.340 nan 0.000 0.240 268 R C 2.219 178.405 176.300 -0.191 0.000 1.139 268 R CA 3.804 59.698 56.100 -0.343 0.000 0.952 268 R CB -0.273 29.754 30.300 -0.456 0.000 0.854 268 R HN 0.205 8.165 8.270 -0.518 0.000 0.436 269 W N -2.335 118.893 121.300 -0.119 0.000 2.381 269 W HA -0.175 nan 4.660 nan 0.000 0.301 269 W C 2.334 178.856 176.519 0.005 0.000 1.205 269 W CA 1.396 58.703 57.345 -0.063 0.000 1.285 269 W CB -0.915 28.560 29.460 0.025 0.000 1.133 269 W HN 0.244 7.968 8.180 -0.444 0.190 0.521 270 R N -0.856 119.785 120.500 0.235 0.000 2.091 270 R HA -0.423 nan 4.340 nan 0.000 0.238 270 R C 2.262 178.621 176.300 0.099 0.000 1.136 270 R CA 3.658 59.877 56.100 0.198 0.000 0.959 270 R CB -0.331 30.111 30.300 0.237 0.000 0.856 270 R HN 0.042 8.420 8.270 0.180 0.000 0.437 271 E N -1.470 118.754 120.200 0.040 0.000 2.072 271 E HA -0.248 nan 4.350 nan 0.000 0.191 271 E C 2.672 179.301 176.600 0.049 0.000 0.985 271 E CA 2.576 58.989 56.400 0.022 0.000 0.801 271 E CB -0.612 29.077 29.700 -0.018 0.000 0.750 271 E HN -0.493 7.869 8.360 0.004 0.000 0.452 272 R N -0.599 119.935 120.500 0.056 0.000 2.081 272 R HA -0.270 nan 4.340 nan 0.000 0.235 272 R C 2.703 179.142 176.300 0.232 0.000 1.131 272 R CA 3.341 59.503 56.100 0.102 0.000 0.960 272 R CB -0.061 30.157 30.300 -0.137 0.000 0.856 272 R HN -0.189 8.030 8.270 0.028 0.068 0.436 273 I N -0.310 120.380 120.570 0.200 0.000 2.226 273 I HA -0.472 nan 4.170 nan 0.000 0.245 273 I C 1.846 177.978 176.117 0.025 0.000 1.100 273 I CA 3.855 65.224 61.300 0.115 0.000 1.374 273 I CB -0.177 37.834 38.000 0.019 0.000 1.057 273 I HN 0.035 8.351 8.210 0.176 0.000 0.413 274 L N -1.307 119.924 121.223 0.014 0.000 2.083 274 L HA -0.502 nan 4.340 nan 0.000 0.209 274 L C 1.864 178.717 176.870 -0.028 0.000 1.083 274 L CA 3.236 58.061 54.840 -0.025 0.000 0.752 274 L CB -0.792 41.260 42.059 -0.012 0.000 0.899 274 L HN -0.546 7.706 8.230 0.037 0.000 0.433 275 D N -0.630 119.776 120.400 0.011 0.000 2.097 275 D HA -0.324 nan 4.640 nan 0.000 0.195 275 D C 1.746 177.997 176.300 -0.082 0.000 0.989 275 D CA 3.267 57.261 54.000 -0.010 0.000 0.827 275 D CB -0.148 40.678 40.800 0.044 0.000 0.966 275 D HN -0.362 7.943 8.370 0.049 0.095 0.456 276 A N -1.229 121.567 122.820 -0.041 0.000 1.978 276 A HA -0.269 nan 4.320 nan 0.000 0.220 276 A C 2.371 179.841 177.584 -0.190 0.000 1.170 276 A CA 2.929 54.885 52.037 -0.136 0.000 0.636 276 A CB -0.660 18.358 19.000 0.031 0.000 0.810 276 A HN -0.565 7.626 8.150 0.068 0.000 0.448 277 I N -2.228 118.257 120.570 -0.142 0.000 2.133 277 I HA -0.610 nan 4.170 nan 0.000 0.238 277 I C 2.587 178.477 176.117 -0.379 0.000 1.074 277 I CA 4.055 65.256 61.300 -0.166 0.000 1.342 277 I CB -0.331 37.612 38.000 -0.095 0.000 1.053 277 I HN -0.537 7.489 8.210 -0.101 0.123 0.404 278 N N 0.919 119.461 118.700 -0.264 0.000 2.013 278 N HA -0.340 nan 4.740 nan 0.000 0.195 278 N C 2.158 177.574 175.510 -0.158 0.000 1.051 278 N CA 2.884 55.800 53.050 -0.224 0.000 0.851 278 N CB -0.627 37.800 38.487 -0.100 0.000 1.044 278 N HN -0.391 7.884 8.380 -0.174 0.000 0.422 279 M N -2.459 117.044 119.600 -0.161 0.000 2.610 279 M HA -0.366 nan 4.480 nan 0.000 0.257 279 M C -0.590 175.650 176.300 -0.101 0.000 1.070 279 M CA 2.577 57.759 55.300 -0.196 0.000 1.047 279 M CB -0.382 31.841 32.600 -0.629 0.000 1.386 279 M HN 0.246 8.438 8.290 -0.163 0.000 0.493 280 H N -7.171 111.808 119.070 -0.151 0.000 3.010 280 H HA -0.423 nan 4.556 nan 0.000 0.272 280 H C -1.370 174.008 175.328 0.083 0.000 1.151 280 H CA 1.792 57.822 56.048 -0.032 0.000 1.159 280 H CB -2.783 26.973 29.762 -0.010 0.000 1.295 280 H HN -0.340 7.488 8.280 -0.367 0.232 0.344 281 Y N -7.887 112.489 120.300 0.127 0.000 2.609 281 Y HA 0.785 nan 4.550 nan 0.000 0.336 281 Y C -2.860 173.107 175.900 0.111 0.000 1.129 281 Y CA -2.386 55.779 58.100 0.109 0.000 1.040 281 Y CB 2.952 41.466 38.460 0.091 0.000 1.310 281 Y HN -0.590 7.387 8.280 -0.422 0.050 0.460 282 I N -4.525 116.253 120.570 0.346 0.000 2.846 282 I HA 0.729 nan 4.170 nan 0.000 0.307 282 I C -1.530 174.835 176.117 0.414 0.000 1.053 282 I CA -2.451 59.044 61.300 0.325 0.000 1.050 282 I CB 4.168 42.250 38.000 0.137 0.000 1.239 282 I HN 0.483 8.897 8.210 0.340 0.000 0.439 283 V N -2.364 117.805 119.914 0.426 0.000 2.427 283 V HA 0.478 nan 4.120 nan 0.000 0.286 283 V C -0.715 175.504 176.094 0.209 0.000 1.034 283 V CA -2.174 60.259 62.300 0.221 0.000 0.893 283 V CB 0.035 31.869 31.823 0.020 0.000 0.982 283 V HN 0.396 8.967 8.190 0.634 0.000 0.452 284 D N 5.281 125.758 120.400 0.127 0.000 2.433 284 D HA 0.272 nan 4.640 nan 0.000 0.255 284 D C 1.941 178.281 176.300 0.067 0.000 1.226 284 D CA -1.022 53.046 54.000 0.114 0.000 1.015 284 D CB 1.576 42.422 40.800 0.077 0.000 1.091 284 D HN 0.533 8.852 8.370 0.093 0.107 0.527 285 K N 0.595 121.034 120.400 0.066 0.000 2.097 285 K HA -0.289 nan 4.320 nan 0.000 0.206 285 K C 0.865 177.477 176.600 0.019 0.000 1.049 285 K CA 2.884 59.197 56.287 0.043 0.000 0.933 285 K CB -0.536 31.993 32.500 0.048 0.000 0.717 285 K HN 0.270 8.569 8.250 0.082 0.000 0.442 286 D N -5.425 114.987 120.400 0.020 0.000 2.350 286 D HA -0.146 nan 4.640 nan 0.000 0.216 286 D C -0.183 176.114 176.300 -0.005 0.000 0.968 286 D CA 0.118 54.123 54.000 0.008 0.000 0.894 286 D CB -1.084 39.722 40.800 0.010 0.000 0.909 286 D HN -0.322 8.042 8.370 0.031 0.024 0.520 287 N N -3.101 115.593 118.700 -0.010 0.000 2.901 287 N HA -0.460 nan 4.740 nan 0.000 0.248 287 N C -1.357 174.135 175.510 -0.030 0.000 1.044 287 N CA 1.213 54.245 53.050 -0.031 0.000 0.847 287 N CB -1.481 36.981 38.487 -0.040 0.000 1.127 287 N HN 0.084 8.244 8.380 0.003 0.221 0.562 288 N N -0.874 117.819 118.700 -0.012 0.000 2.476 288 N HA 0.133 nan 4.740 nan 0.000 0.275 288 N C -1.305 174.199 175.510 -0.009 0.000 1.190 288 N CA 0.129 53.166 53.050 -0.021 0.000 0.977 288 N CB 1.718 40.200 38.487 -0.009 0.000 1.200 288 N HN 0.025 8.724 8.380 0.005 -0.316 0.515 289 K N 0.409 120.781 120.400 -0.045 0.000 2.182 289 K HA 0.663 nan 4.320 nan 0.000 0.262 289 K C -1.010 175.610 176.600 0.035 0.000 0.957 289 K CA -0.873 55.403 56.287 -0.018 0.000 0.842 289 K CB 1.341 33.684 32.500 -0.262 0.000 1.099 289 K HN 0.021 8.231 8.250 -0.067 0.000 0.438 290 I N -0.774 119.866 120.570 0.117 0.000 2.474 290 I HA 0.621 nan 4.170 nan 0.000 0.294 290 I C -2.376 173.833 176.117 0.155 0.000 1.005 290 I CA -3.529 57.828 61.300 0.094 0.000 1.113 290 I CB 2.187 40.230 38.000 0.071 0.000 1.289 290 I HN 0.567 8.887 8.210 0.183 0.000 0.436 291 P HA 0.190 nan 4.420 nan 0.000 0.275 291 P C -0.977 176.440 177.300 0.195 0.000 1.228 291 P CA -0.588 62.620 63.100 0.180 0.000 0.786 291 P CB 0.300 32.084 31.700 0.140 0.000 0.927 292 L N 3.386 124.758 121.223 0.248 0.000 2.387 292 L HA -0.041 nan 4.340 nan 0.000 0.267 292 L C -0.520 176.585 176.870 0.393 0.000 1.197 292 L CA -0.714 54.323 54.840 0.329 0.000 1.070 292 L CB -1.195 41.137 42.059 0.456 0.000 1.349 292 L HN 0.060 8.444 8.230 0.257 0.000 0.422 293 D N 4.340 124.952 120.400 0.355 0.000 2.357 293 D HA 0.001 nan 4.640 nan 0.000 0.242 293 D C 1.063 177.658 176.300 0.492 0.000 1.153 293 D CA -0.603 53.621 54.000 0.373 0.000 0.918 293 D CB 2.218 43.254 40.800 0.393 0.000 1.181 293 D HN -0.404 8.111 8.370 0.296 0.033 0.435 294 I N 2.616 123.477 120.570 0.486 0.000 2.226 294 I HA -0.430 nan 4.170 nan 0.000 0.245 294 I C 1.464 177.671 176.117 0.149 0.000 1.100 294 I CA 3.496 65.089 61.300 0.488 0.000 1.374 294 I CB 0.037 38.263 38.000 0.378 0.000 1.057 294 I HN 0.147 8.591 8.210 0.391 0.000 0.413 295 E N -1.319 118.954 120.200 0.122 0.000 2.028 295 E HA -0.209 nan 4.350 nan 0.000 0.191 295 E C 1.586 178.106 176.600 -0.133 0.000 0.988 295 E CA 2.583 58.940 56.400 -0.071 0.000 0.799 295 E CB -0.147 29.419 29.700 -0.223 0.000 0.755 295 E HN 0.310 8.934 8.360 0.197 -0.146 0.447 296 H N -2.103 117.027 119.070 0.099 0.000 2.470 296 H HA -0.012 nan 4.556 nan 0.000 0.289 296 H C 1.854 177.231 175.328 0.082 0.000 1.033 296 H CA 1.587 57.686 56.048 0.085 0.000 1.331 296 H CB -0.283 29.534 29.762 0.091 0.000 1.414 296 H HN -0.053 8.362 8.280 0.225 0.000 0.545 297 G N -1.003 107.954 108.800 0.262 0.000 2.476 297 G HA2 -0.410 nan 3.960 nan 0.000 0.218 297 G HA3 -0.410 nan 3.960 nan 0.000 0.218 297 G C 0.722 175.575 174.900 -0.079 0.000 1.164 297 G CA 2.706 47.934 45.100 0.213 0.000 0.768 297 G HN 0.329 8.668 8.290 0.302 0.132 0.560 298 T N 3.315 117.836 114.554 -0.055 0.000 2.746 298 T HA -0.327 nan 4.350 nan 0.000 0.267 298 T C 1.751 176.444 174.700 -0.010 0.000 1.039 298 T CA 4.954 66.989 62.100 -0.107 0.000 1.142 298 T CB -0.538 68.268 68.868 -0.103 0.000 0.866 298 T HN -0.053 8.192 8.240 0.008 0.000 0.444 299 D N 1.929 122.345 120.400 0.028 0.000 2.097 299 D HA -0.183 nan 4.640 nan 0.000 0.195 299 D C 1.624 177.963 176.300 0.065 0.000 0.989 299 D CA 2.935 56.976 54.000 0.067 0.000 0.827 299 D CB -0.326 40.521 40.800 0.078 0.000 0.966 299 D HN -0.448 7.920 8.370 0.030 0.021 0.456 300 I N -2.707 117.891 120.570 0.046 0.000 2.226 300 I HA -0.382 nan 4.170 nan 0.000 0.245 300 I C 1.673 177.765 176.117 -0.041 0.000 1.100 300 I CA 3.365 64.675 61.300 0.017 0.000 1.374 300 I CB -0.287 37.725 38.000 0.021 0.000 1.057 300 I HN -0.508 7.738 8.210 0.061 0.000 0.413 301 L N 0.411 121.582 121.223 -0.086 0.000 2.093 301 L HA -0.212 nan 4.340 nan 0.000 0.208 301 L C 1.869 178.758 176.870 0.031 0.000 1.085 301 L CA 2.736 57.497 54.840 -0.131 0.000 0.755 301 L CB -0.655 41.255 42.059 -0.248 0.000 0.904 301 L HN -0.105 7.978 8.230 -0.098 0.088 0.435 302 G N -2.406 106.509 108.800 0.192 0.000 2.418 302 G HA2 -0.494 nan 3.960 nan 0.000 0.217 302 G HA3 -0.494 nan 3.960 nan 0.000 0.217 302 G C 0.619 175.564 174.900 0.075 0.000 1.158 302 G CA 2.613 47.900 45.100 0.312 0.000 0.771 302 G HN 0.291 8.543 8.290 0.136 0.119 0.545 303 D N 1.237 121.658 120.400 0.034 0.000 2.144 303 D HA -0.306 nan 4.640 nan 0.000 0.200 303 D C 2.374 178.646 176.300 -0.046 0.000 0.978 303 D CA 2.837 56.833 54.000 -0.008 0.000 0.833 303 D CB -0.479 40.339 40.800 0.029 0.000 0.961 303 D HN -0.275 8.128 8.370 0.055 0.000 0.470 304 I N -0.009 120.520 120.570 -0.069 0.000 2.252 304 I HA -0.359 nan 4.170 nan 0.000 0.245 304 I C 1.737 177.802 176.117 -0.086 0.000 1.102 304 I CA 3.654 64.887 61.300 -0.111 0.000 1.385 304 I CB 0.053 37.889 38.000 -0.274 0.000 1.064 304 I HN -0.719 7.450 8.210 -0.068 0.000 0.414 305 I N -0.923 119.605 120.570 -0.069 0.000 2.252 305 I HA -0.417 nan 4.170 nan 0.000 0.245 305 I C 1.086 177.218 176.117 0.026 0.000 1.102 305 I CA 1.716 63.014 61.300 -0.004 0.000 1.385 305 I CB -0.313 37.697 38.000 0.016 0.000 1.064 305 I HN 0.009 8.181 8.210 -0.063 0.000 0.414 306 E N -0.491 119.609 120.200 -0.166 0.000 2.023 306 E HA -0.391 nan 4.350 nan 0.000 0.196 306 E C -0.976 175.602 176.600 -0.036 0.000 1.003 306 E CA 3.881 60.072 56.400 -0.349 0.000 0.809 306 E CB 0.092 29.364 29.700 -0.714 0.000 0.755 306 E HN -0.442 7.805 8.360 -0.189 0.000 0.449 307 S N -3.901 111.763 115.700 -0.061 0.000 2.638 307 S HA 0.441 nan 4.470 nan 0.000 0.298 307 S C -0.614 173.945 174.600 -0.068 0.000 1.111 307 S CA -2.031 56.115 58.200 -0.091 0.000 1.027 307 S CB 2.399 65.559 63.200 -0.067 0.000 1.064 307 S HN -0.728 7.548 8.310 -0.056 0.000 0.525 308 S N 0.440 116.115 115.700 -0.043 0.000 2.738 308 S HA 0.442 nan 4.470 nan 0.000 0.284 308 S C 1.170 175.791 174.600 0.035 0.000 1.146 308 S CA -0.976 57.234 58.200 0.017 0.000 0.997 308 S CB 2.202 65.436 63.200 0.057 0.000 1.081 308 S HN 0.626 8.787 8.310 -0.050 0.118 0.553 309 D N 1.624 122.066 120.400 0.069 0.000 2.219 309 D HA -0.140 nan 4.640 nan 0.000 0.205 309 D C 0.468 176.808 176.300 0.066 0.000 0.970 309 D CA 2.516 56.552 54.000 0.060 0.000 0.851 309 D CB -0.348 40.492 40.800 0.066 0.000 0.943 309 D HN 0.303 8.730 8.370 0.095 0.000 0.488 310 E N -2.683 117.569 120.200 0.086 0.000 2.338 310 E HA -0.116 nan 4.350 nan 0.000 0.197 310 E C -0.092 176.548 176.600 0.067 0.000 1.007 310 E CA 0.655 57.108 56.400 0.088 0.000 0.849 310 E CB 0.154 29.919 29.700 0.109 0.000 0.774 310 E HN -0.641 7.723 8.360 0.096 0.053 0.506 311 S N -1.322 114.409 115.700 0.050 0.000 2.593 311 S HA -0.247 nan 4.470 nan 0.000 0.300 311 S C 0.673 175.320 174.600 0.079 0.000 1.267 311 S CA 0.136 58.364 58.200 0.046 0.000 1.065 311 S CB 0.511 63.736 63.200 0.042 0.000 0.807 311 S HN -0.730 7.438 8.310 0.044 0.168 0.499 312 K N 4.012 124.465 120.400 0.087 0.000 2.148 312 K HA -0.240 nan 4.320 nan 0.000 0.204 312 K C -0.301 176.406 176.600 0.177 0.000 1.050 312 K CA 2.078 58.436 56.287 0.118 0.000 0.942 312 K CB 0.448 33.015 32.500 0.111 0.000 0.724 312 K HN -0.067 8.351 8.250 0.050 -0.138 0.446 313 N N -3.021 115.848 118.700 0.281 0.000 2.581 313 N HA 0.182 nan 4.740 nan 0.000 0.279 313 N C 0.381 176.069 175.510 0.296 0.000 1.124 313 N CA -0.949 52.282 53.050 0.303 0.000 0.833 313 N CB 1.348 40.052 38.487 0.360 0.000 1.338 313 N HN -0.760 7.790 8.380 0.298 0.009 0.533 314 V N 1.021 121.027 119.914 0.153 0.000 2.379 314 V HA -0.082 nan 4.120 nan 0.000 0.245 314 V C 1.173 177.305 176.094 0.064 0.000 1.044 314 V CA 2.628 64.977 62.300 0.082 0.000 1.036 314 V CB -0.472 31.377 31.823 0.044 0.000 0.664 314 V HN 0.569 8.836 8.190 0.128 0.000 0.453 315 E N 1.581 121.839 120.200 0.097 0.000 2.028 315 E HA -0.439 nan 4.350 nan 0.000 0.191 315 E C 1.771 178.454 176.600 0.138 0.000 0.988 315 E CA 2.489 58.954 56.400 0.108 0.000 0.799 315 E CB -0.678 29.082 29.700 0.102 0.000 0.755 315 E HN -0.361 8.145 8.360 0.108 -0.081 0.447 316 Y N 0.435 120.719 120.300 -0.027 0.000 2.089 316 Y HA -0.423 nan 4.550 nan 0.000 0.282 316 Y C 1.839 177.702 175.900 -0.062 0.000 1.139 316 Y CA 3.460 61.493 58.100 -0.112 0.000 1.123 316 Y CB 0.641 38.894 38.460 -0.346 0.000 0.980 316 Y HN -0.333 8.393 8.280 0.202 -0.325 0.493 317 Y N -4.552 115.753 120.300 0.008 0.000 2.420 317 Y HA -0.212 nan 4.550 nan 0.000 0.292 317 Y C 0.386 176.016 175.900 -0.451 0.000 1.119 317 Y CA 2.289 60.309 58.100 -0.133 0.000 1.229 317 Y CB 0.566 39.023 38.460 -0.004 0.000 1.026 317 Y HN -0.819 7.534 8.280 0.122 0.000 0.554 318 G N -1.965 106.561 108.800 -0.456 0.000 2.584 318 G HA2 -0.310 nan 3.960 nan 0.000 0.229 318 G HA3 -0.310 nan 3.960 nan 0.000 0.229 318 G C -2.719 171.777 174.900 -0.673 0.000 1.320 318 G CA -0.348 44.074 45.100 -1.130 0.000 0.891 318 G HN -0.339 7.747 8.290 -0.167 0.104 0.573 319 S N -1.304 113.966 115.700 -0.715 0.000 2.389 319 S HA 0.316 nan 4.470 nan 0.000 0.201 319 S C -0.429 174.211 174.600 0.065 0.000 1.422 319 S CA -1.302 56.769 58.200 -0.215 0.000 1.216 319 S CB 1.068 64.139 63.200 -0.215 0.000 1.130 319 S HN -0.031 7.501 8.310 -1.297 0.000 0.465 320 L N 5.976 127.325 121.223 0.210 0.000 1.994 320 L HA -0.272 nan 4.340 nan 0.000 0.208 320 L C 0.530 177.746 176.870 0.577 0.000 1.071 320 L CA 2.832 57.996 54.840 0.541 0.000 0.745 320 L CB 0.007 42.407 42.059 0.569 0.000 0.892 320 L HN 0.346 8.641 8.230 0.108 0.000 0.431 321 H N -0.365 118.958 119.070 0.422 0.000 2.293 321 H HA -0.402 nan 4.556 nan 0.000 0.300 321 H C 2.214 177.672 175.328 0.216 0.000 1.082 321 H CA 4.401 60.754 56.048 0.508 0.000 1.308 321 H CB 0.080 30.093 29.762 0.419 0.000 1.375 321 H HN -0.242 8.321 8.280 0.472 0.000 0.495 322 N N -0.848 117.988 118.700 0.226 0.000 2.120 322 N HA -0.336 nan 4.740 nan 0.000 0.188 322 N C 2.316 177.713 175.510 -0.190 0.000 1.024 322 N CA 3.014 56.096 53.050 0.054 0.000 0.852 322 N CB -0.528 37.973 38.487 0.024 0.000 1.003 322 N HN -0.234 8.328 8.380 0.302 0.000 0.424 323 W N -0.783 120.499 121.300 -0.031 0.000 2.374 323 W HA -0.206 nan 4.660 nan 0.000 0.288 323 W C 1.842 178.200 176.519 -0.268 0.000 1.218 323 W CA 2.855 60.172 57.345 -0.048 0.000 1.245 323 W CB -0.203 29.336 29.460 0.132 0.000 1.126 323 W HN -0.208 8.015 8.180 0.071 0.000 0.545 324 G N -2.006 106.562 108.800 -0.387 0.000 2.418 324 G HA2 -0.431 nan 3.960 nan 0.000 0.217 324 G HA3 -0.431 nan 3.960 nan 0.000 0.217 324 G C 0.996 175.283 174.900 -1.021 0.000 1.158 324 G CA 2.237 46.637 45.100 -1.167 0.000 0.771 324 G HN 0.196 8.266 8.290 -0.222 0.086 0.545 325 H N 2.290 120.782 119.070 -0.964 0.000 2.353 325 H HA -0.214 nan 4.556 nan 0.000 0.300 325 H C 2.552 177.659 175.328 -0.368 0.000 1.090 325 H CA 3.968 59.549 56.048 -0.778 0.000 1.327 325 H CB 0.121 29.140 29.762 -1.239 0.000 1.383 325 H HN -0.627 7.085 8.280 -0.748 0.120 0.508 326 V N 0.139 120.008 119.914 -0.075 0.000 2.295 326 V HA -0.457 nan 4.120 nan 0.000 0.246 326 V C 2.118 178.248 176.094 0.061 0.000 1.049 326 V CA 4.688 67.038 62.300 0.083 0.000 1.024 326 V CB -0.750 31.226 31.823 0.255 0.000 0.648 326 V HN -0.326 7.682 8.190 -0.115 0.112 0.447 327 M N -2.340 117.266 119.600 0.010 0.000 2.117 327 M HA -0.331 nan 4.480 nan 0.000 0.262 327 M C 1.792 178.029 176.300 -0.104 0.000 1.065 327 M CA 3.546 58.835 55.300 -0.018 0.000 1.114 327 M CB 0.001 32.563 32.600 -0.062 0.000 1.361 327 M HN 0.061 8.237 8.290 -0.012 0.106 0.408 328 M N -2.109 117.345 119.600 -0.244 0.000 2.175 328 M HA -0.164 nan 4.480 nan 0.000 0.264 328 M C 2.652 178.872 176.300 -0.134 0.000 1.063 328 M CA 2.635 57.781 55.300 -0.256 0.000 1.119 328 M CB 0.478 32.836 32.600 -0.404 0.000 1.377 328 M HN -0.385 7.699 8.290 -0.344 0.000 0.415 329 A N -1.208 121.563 122.820 -0.082 0.000 1.933 329 A HA -0.241 nan 4.320 nan 0.000 0.218 329 A C 0.676 178.277 177.584 0.029 0.000 1.175 329 A CA 2.877 54.914 52.037 -0.000 0.000 0.628 329 A CB -0.291 18.740 19.000 0.053 0.000 0.814 329 A HN 0.237 8.234 8.150 -0.106 0.090 0.444 330 N N -4.200 114.527 118.700 0.045 0.000 2.538 330 N HA 0.063 nan 4.740 nan 0.000 0.291 330 N C 0.131 175.692 175.510 0.084 0.000 1.323 330 N CA -1.734 51.365 53.050 0.082 0.000 0.934 330 N CB -0.832 37.734 38.487 0.132 0.000 1.255 330 N HN -0.450 7.954 8.380 0.039 0.000 0.509 331 I N 0.923 121.516 120.570 0.040 0.000 2.286 331 I HA -0.322 nan 4.170 nan 0.000 0.248 331 I C 0.541 176.733 176.117 0.124 0.000 1.115 331 I CA 2.531 63.878 61.300 0.080 0.000 1.392 331 I CB 0.130 38.128 38.000 -0.003 0.000 1.065 331 I HN -0.729 7.393 8.210 -0.002 0.086 0.418 332 T N -1.010 113.548 114.554 0.007 0.000 2.788 332 T HA -0.241 nan 4.350 nan 0.000 0.268 332 T C -0.319 174.396 174.700 0.024 0.000 1.044 332 T CA 2.555 64.629 62.100 -0.043 0.000 1.139 332 T CB -0.142 68.651 68.868 -0.124 0.000 0.867 332 T HN 0.152 8.349 8.240 -0.016 0.034 0.454 333 D N -1.120 119.341 120.400 0.101 0.000 2.621 333 D HA 0.459 nan 4.640 nan 0.000 0.274 333 D C -0.789 175.639 176.300 0.213 0.000 1.215 333 D CA -3.031 51.092 54.000 0.204 0.000 0.810 333 D CB 0.510 41.448 40.800 0.230 0.000 1.248 333 D HN -0.843 7.494 8.370 0.098 0.092 0.517 334 P HA -0.257 nan 4.420 nan 0.000 0.216 334 P C 0.637 178.038 177.300 0.169 0.000 1.150 334 P CA 1.953 65.162 63.100 0.182 0.000 0.837 334 P CB 0.349 32.168 31.700 0.198 0.000 0.786 335 D N -3.247 117.249 120.400 0.159 0.000 2.183 335 D HA -0.244 nan 4.640 nan 0.000 0.203 335 D C 0.243 176.661 176.300 0.197 0.000 0.969 335 D CA 0.744 54.821 54.000 0.128 0.000 0.842 335 D CB 0.286 41.127 40.800 0.068 0.000 0.957 335 D HN -0.241 8.208 8.370 0.169 0.021 0.484 336 H N -4.149 114.980 119.070 0.100 0.000 2.992 336 H HA -0.297 nan 4.556 nan 0.000 0.266 336 H C -0.569 174.782 175.328 0.039 0.000 1.200 336 H CA 0.760 56.862 56.048 0.090 0.000 1.135 336 H CB -1.062 28.737 29.762 0.061 0.000 1.282 336 H HN -0.355 8.120 8.280 0.245 -0.048 0.351 337 R N -3.173 117.312 120.500 -0.026 0.000 2.092 337 R HA -0.177 nan 4.340 nan 0.000 0.231 337 R C 0.997 177.117 176.300 -0.299 0.000 1.119 337 R CA 1.980 57.967 56.100 -0.189 0.000 0.970 337 R CB -0.065 30.045 30.300 -0.316 0.000 0.864 337 R HN -0.286 8.099 8.270 0.030 -0.097 0.440 338 F N -0.133 119.750 119.950 -0.111 0.000 2.234 338 F HA -0.189 nan 4.527 nan 0.000 0.299 338 F C 0.220 175.902 175.800 -0.197 0.000 1.087 338 F CA 1.873 59.802 58.000 -0.118 0.000 1.340 338 F CB 0.324 39.273 39.000 -0.085 0.000 1.031 338 F HN -0.441 8.213 8.300 -0.031 -0.373 0.500 339 Q N -5.354 114.286 119.800 -0.267 0.000 2.470 339 Q HA -0.425 nan 4.340 nan 0.000 0.294 339 Q C -1.213 174.675 176.000 -0.185 0.000 1.356 339 Q CA 0.892 56.436 55.803 -0.431 0.000 0.805 339 Q CB -2.247 26.380 28.738 -0.185 0.000 1.157 339 Q HN -0.413 7.694 8.270 -0.370 -0.058 0.431 340 E N -2.012 118.111 120.200 -0.129 0.000 2.222 340 E HA 0.232 nan 4.350 nan 0.000 0.272 340 E C -1.308 175.291 176.600 -0.003 0.000 0.982 340 E CA -1.594 54.785 56.400 -0.034 0.000 0.842 340 E CB 1.917 31.605 29.700 -0.020 0.000 1.144 340 E HN -0.561 7.692 8.360 -0.177 0.000 0.397 341 N N 1.698 120.401 118.700 0.005 0.000 2.467 341 N HA 0.231 nan 4.740 nan 0.000 0.262 341 N C -1.263 174.280 175.510 0.055 0.000 1.234 341 N CA -1.410 51.654 53.050 0.024 0.000 0.952 341 N CB -0.362 38.092 38.487 -0.055 0.000 1.158 341 N HN 0.224 8.595 8.380 -0.015 0.000 0.463 342 P HA 0.024 nan 4.420 nan 0.000 0.274 342 P C -0.780 176.644 177.300 0.207 0.000 1.256 342 P CA -0.428 62.749 63.100 0.128 0.000 0.795 342 P CB 0.877 32.652 31.700 0.124 0.000 1.038 343 G N -1.285 107.622 108.800 0.178 0.000 2.535 343 G HA2 0.199 nan 3.960 nan 0.000 0.282 343 G HA3 0.199 nan 3.960 nan 0.000 0.282 343 G C 0.552 175.572 174.900 0.199 0.000 1.350 343 G CA -1.610 43.608 45.100 0.196 0.000 1.039 343 G HN -0.272 7.979 8.290 0.113 0.107 0.509 344 V N -5.620 114.285 119.914 -0.015 0.000 2.720 344 V HA -0.330 nan 4.120 nan 0.000 0.256 344 V C 1.852 177.931 176.094 -0.025 0.000 1.082 344 V CA 2.817 64.969 62.300 -0.246 0.000 1.101 344 V CB -0.415 31.268 31.823 -0.234 0.000 0.693 344 V HN 0.548 8.752 8.190 0.024 0.000 0.479 345 M N 0.511 120.150 119.600 0.065 0.000 2.279 345 M HA -0.306 nan 4.480 nan 0.000 0.264 345 M C 1.605 178.078 176.300 0.289 0.000 1.062 345 M CA 2.232 57.628 55.300 0.159 0.000 1.099 345 M CB -0.937 31.676 32.600 0.021 0.000 1.394 345 M HN -0.265 7.996 8.290 0.047 0.056 0.426 346 S N -0.614 115.218 115.700 0.220 0.000 2.447 346 S HA -0.282 nan 4.470 nan 0.000 0.233 346 S C -0.743 173.999 174.600 0.236 0.000 1.006 346 S CA 3.431 61.770 58.200 0.232 0.000 0.957 346 S CB 0.164 63.459 63.200 0.159 0.000 0.773 346 S HN -0.560 7.811 8.310 0.169 0.040 0.507 347 D N -2.544 117.999 120.400 0.239 0.000 2.350 347 D HA 0.341 nan 4.640 nan 0.000 0.245 347 D C -0.387 176.085 176.300 0.285 0.000 1.036 347 D CA -1.124 53.015 54.000 0.233 0.000 0.848 347 D CB 2.942 43.888 40.800 0.243 0.000 1.307 347 D HN -0.652 7.700 8.370 0.202 0.139 0.469 348 T N 4.039 118.760 114.554 0.279 0.000 2.915 348 T HA -0.080 nan 4.350 nan 0.000 0.269 348 T C 2.197 177.224 174.700 0.544 0.000 1.071 348 T CA 3.659 66.000 62.100 0.401 0.000 1.132 348 T CB -0.227 68.653 68.868 0.020 0.000 0.878 348 T HN 0.362 8.753 8.240 0.252 0.000 0.479 349 S N 1.496 117.472 115.700 0.461 0.000 2.371 349 S HA -0.178 nan 4.470 nan 0.000 0.224 349 S C 0.974 175.548 174.600 -0.043 0.000 1.029 349 S CA 3.585 61.913 58.200 0.215 0.000 0.978 349 S CB 0.024 63.233 63.200 0.016 0.000 0.833 349 S HN -0.256 8.641 8.310 0.530 -0.269 0.466 350 T N -5.158 109.352 114.554 -0.073 0.000 3.035 350 T HA 0.228 nan 4.350 nan 0.000 0.259 350 T C 2.391 176.999 174.700 -0.154 0.000 1.078 350 T CA 1.335 63.309 62.100 -0.210 0.000 1.132 350 T CB -0.070 68.557 68.868 -0.401 0.000 0.900 350 T HN -0.143 8.107 8.240 0.017 0.000 0.480 351 S N 4.307 119.996 115.700 -0.018 0.000 2.400 351 S HA -0.342 nan 4.470 nan 0.000 0.232 351 S C 2.077 176.532 174.600 -0.241 0.000 1.025 351 S CA 3.599 61.820 58.200 0.036 0.000 0.993 351 S CB -1.141 62.300 63.200 0.402 0.000 0.808 351 S HN 0.157 8.528 8.310 0.101 0.000 0.478 352 L N 1.683 122.593 121.223 -0.523 0.000 2.201 352 L HA -0.222 nan 4.340 nan 0.000 0.212 352 L C 1.683 178.302 176.870 -0.419 0.000 1.105 352 L CA 2.146 56.503 54.840 -0.805 0.000 0.775 352 L CB -0.763 40.907 42.059 -0.649 0.000 0.913 352 L HN -0.328 7.639 8.230 -0.386 0.032 0.440 353 R N -2.820 117.503 120.500 -0.296 0.000 2.092 353 R HA -0.278 nan 4.340 nan 0.000 0.231 353 R C 0.022 176.042 176.300 -0.466 0.000 1.119 353 R CA 2.173 58.121 56.100 -0.253 0.000 0.970 353 R CB -0.333 29.879 30.300 -0.145 0.000 0.864 353 R HN -0.120 7.944 8.270 -0.278 0.039 0.440 354 D N 0.717 120.830 120.400 -0.477 0.000 2.351 354 D HA 0.268 nan 4.640 nan 0.000 0.251 354 D C -0.781 175.346 176.300 -0.288 0.000 1.137 354 D CA -2.634 51.003 54.000 -0.605 0.000 0.879 354 D CB 0.794 41.433 40.800 -0.269 0.000 1.181 354 D HN -0.761 7.387 8.370 -0.321 0.029 0.448 355 P HA -0.029 nan 4.420 nan 0.000 0.223 355 P C 0.739 178.099 177.300 0.100 0.000 1.151 355 P CA 1.546 64.675 63.100 0.049 0.000 0.787 355 P CB 0.029 31.766 31.700 0.062 0.000 0.788 356 I N -5.128 115.442 120.570 -0.001 0.000 2.454 356 I HA -0.411 nan 4.170 nan 0.000 0.254 356 I C 1.010 177.109 176.117 -0.030 0.000 1.156 356 I CA 2.934 64.220 61.300 -0.025 0.000 1.433 356 I CB -0.550 37.383 38.000 -0.111 0.000 1.082 356 I HN -0.578 7.856 8.210 -0.056 -0.257 0.432 357 F N 1.992 121.789 119.950 -0.254 0.000 2.091 357 F HA -0.489 nan 4.527 nan 0.000 0.299 357 F C 1.139 176.797 175.800 -0.237 0.000 1.103 357 F CA 4.545 62.359 58.000 -0.309 0.000 1.228 357 F CB -0.044 38.570 39.000 -0.643 0.000 0.984 357 F HN -0.511 7.641 8.300 -0.003 0.146 0.477 358 Y N -3.205 117.208 120.300 0.188 0.000 2.242 358 Y HA -0.425 nan 4.550 nan 0.000 0.291 358 Y C 2.090 178.028 175.900 0.064 0.000 1.137 358 Y CA 4.025 62.158 58.100 0.054 0.000 1.181 358 Y CB -0.674 37.593 38.460 -0.322 0.000 0.989 358 Y HN -0.761 7.443 8.280 -0.096 0.018 0.527 359 R N -0.390 120.225 120.500 0.192 0.000 2.073 359 R HA -0.418 nan 4.340 nan 0.000 0.234 359 R C 2.248 178.650 176.300 0.169 0.000 1.134 359 R CA 3.530 59.743 56.100 0.190 0.000 0.952 359 R CB -0.160 30.256 30.300 0.193 0.000 0.850 359 R HN -0.621 7.668 8.270 0.174 0.086 0.433 360 W N -0.027 121.198 121.300 -0.125 0.000 2.381 360 W HA -0.330 nan 4.660 nan 0.000 0.301 360 W C 1.701 178.123 176.519 -0.162 0.000 1.205 360 W CA 3.725 60.927 57.345 -0.239 0.000 1.285 360 W CB 0.071 29.175 29.460 -0.593 0.000 1.133 360 W HN 0.075 8.316 8.180 0.101 0.000 0.521 361 H N -0.959 117.972 119.070 -0.232 0.000 2.423 361 H HA -0.283 nan 4.556 nan 0.000 0.297 361 H C 2.873 178.141 175.328 -0.099 0.000 1.075 361 H CA 5.086 61.007 56.048 -0.212 0.000 1.342 361 H CB -0.091 29.527 29.762 -0.239 0.000 1.395 361 H HN -0.113 8.172 8.280 0.009 0.000 0.530 362 R N -0.705 119.840 120.500 0.076 0.000 2.092 362 R HA -0.288 nan 4.340 nan 0.000 0.231 362 R C 2.053 178.360 176.300 0.011 0.000 1.119 362 R CA 2.481 58.627 56.100 0.077 0.000 0.970 362 R CB -0.848 29.523 30.300 0.118 0.000 0.864 362 R HN 0.333 8.568 8.270 0.117 0.106 0.440 363 F N 1.513 121.336 119.950 -0.211 0.000 2.102 363 F HA -0.316 nan 4.527 nan 0.000 0.298 363 F C 1.672 177.277 175.800 -0.325 0.000 1.105 363 F CA 3.533 61.352 58.000 -0.302 0.000 1.239 363 F CB 0.102 38.767 39.000 -0.559 0.000 0.991 363 F HN -0.598 7.641 8.300 0.038 0.084 0.474 364 I N -4.983 115.335 120.570 -0.420 0.000 2.315 364 I HA -0.548 nan 4.170 nan 0.000 0.248 364 I C 1.495 177.667 176.117 0.091 0.000 1.117 364 I CA 3.341 64.493 61.300 -0.248 0.000 1.404 364 I CB -0.634 37.354 38.000 -0.021 0.000 1.071 364 I HN -0.113 7.792 8.210 -0.508 0.000 0.419 365 D N 0.408 120.917 120.400 0.181 0.000 2.149 365 D HA -0.327 nan 4.640 nan 0.000 0.198 365 D C 2.173 178.645 176.300 0.286 0.000 0.990 365 D CA 3.204 57.440 54.000 0.395 0.000 0.839 365 D CB -0.326 40.581 40.800 0.178 0.000 0.948 365 D HN 0.165 8.352 8.370 0.042 0.207 0.460 366 N N -0.995 117.702 118.700 -0.006 0.000 2.149 366 N HA -0.268 nan 4.740 nan 0.000 0.188 366 N C 2.414 177.842 175.510 -0.136 0.000 1.019 366 N CA 3.066 56.066 53.050 -0.084 0.000 0.857 366 N CB -0.152 38.206 38.487 -0.214 0.000 0.997 366 N HN -0.110 8.102 8.380 -0.093 0.112 0.426 367 I N -0.265 120.125 120.570 -0.300 0.000 2.226 367 I HA -0.521 nan 4.170 nan 0.000 0.245 367 I C 1.633 177.552 176.117 -0.330 0.000 1.100 367 I CA 3.707 64.770 61.300 -0.396 0.000 1.374 367 I CB -0.166 37.475 38.000 -0.598 0.000 1.057 367 I HN -0.432 7.422 8.210 -0.340 0.152 0.413 368 F N -1.693 118.222 119.950 -0.058 0.000 2.171 368 F HA -0.424 nan 4.527 nan 0.000 0.300 368 F C 2.323 178.079 175.800 -0.074 0.000 1.090 368 F CA 4.052 61.969 58.000 -0.138 0.000 1.293 368 F CB -0.775 38.032 39.000 -0.321 0.000 1.013 368 F HN -0.832 7.340 8.300 -0.085 0.077 0.486 369 Q N -1.899 118.007 119.800 0.177 0.000 2.124 369 Q HA -0.356 nan 4.340 nan 0.000 0.202 369 Q C 2.754 178.797 176.000 0.072 0.000 0.977 369 Q CA 3.026 58.907 55.803 0.130 0.000 0.850 369 Q CB -0.881 27.924 28.738 0.112 0.000 0.901 369 Q HN 0.177 8.479 8.270 0.220 0.099 0.429 370 E N -0.579 119.635 120.200 0.022 0.000 2.110 370 E HA -0.376 nan 4.350 nan 0.000 0.193 370 E C 2.371 178.984 176.600 0.023 0.000 0.988 370 E CA 2.822 59.219 56.400 -0.005 0.000 0.804 370 E CB -0.230 29.439 29.700 -0.051 0.000 0.745 370 E HN -0.151 8.117 8.360 -0.009 0.086 0.458 371 H N 0.517 119.571 119.070 -0.027 0.000 2.353 371 H HA -0.256 nan 4.556 nan 0.000 0.300 371 H C 2.357 177.836 175.328 0.252 0.000 1.090 371 H CA 3.734 59.816 56.048 0.056 0.000 1.327 371 H CB 0.150 29.943 29.762 0.051 0.000 1.383 371 H HN -0.702 7.576 8.280 0.112 0.069 0.508 372 K N -1.813 118.718 120.400 0.218 0.000 2.147 372 K HA -0.296 nan 4.320 nan 0.000 0.205 372 K C 2.980 179.692 176.600 0.186 0.000 1.049 372 K CA 2.365 58.766 56.287 0.191 0.000 0.936 372 K CB -0.736 31.821 32.500 0.096 0.000 0.722 372 K HN -0.095 8.182 8.250 0.193 0.088 0.446 373 K N -0.506 119.939 120.400 0.075 0.000 2.097 373 K HA -0.235 nan 4.320 nan 0.000 0.206 373 K C 1.587 178.150 176.600 -0.061 0.000 1.049 373 K CA 2.703 58.992 56.287 0.005 0.000 0.933 373 K CB -0.316 32.172 32.500 -0.021 0.000 0.717 373 K HN 0.078 8.241 8.250 0.067 0.128 0.442 374 S N -1.353 114.269 115.700 -0.130 0.000 2.447 374 S HA -0.192 nan 4.470 nan 0.000 0.233 374 S C 0.488 174.829 174.600 -0.431 0.000 1.006 374 S CA 2.263 60.288 58.200 -0.293 0.000 0.957 374 S CB 0.632 63.565 63.200 -0.445 0.000 0.773 374 S HN -0.503 7.623 8.310 -0.102 0.122 0.507 375 F N 2.150 121.973 119.950 -0.211 0.000 2.382 375 F HA 0.018 nan 4.527 nan 0.000 0.331 375 F C -0.027 175.644 175.800 -0.216 0.000 1.121 375 F CA 0.955 58.855 58.000 -0.167 0.000 1.183 375 F CB 0.996 39.920 39.000 -0.128 0.000 1.207 375 F HN -0.647 7.583 8.300 0.182 0.179 0.555 376 H N 1.702 120.800 119.070 0.046 0.000 2.607 376 H HA 0.160 nan 4.556 nan 0.000 0.367 376 H C -1.621 173.644 175.328 -0.106 0.000 1.181 376 H CA -0.596 55.438 56.048 -0.024 0.000 1.402 376 H CB 0.286 30.035 29.762 -0.022 0.000 1.474 376 H HN 0.067 8.511 8.280 0.273 0.000 0.596 377 P HA 0.063 nan 4.420 nan 0.000 0.277 377 P C -1.434 175.800 177.300 -0.111 0.000 1.276 377 P CA -0.257 62.797 63.100 -0.076 0.000 0.788 377 P CB 0.648 32.376 31.700 0.047 0.000 1.114 378 Y N -0.770 119.633 120.300 0.171 0.000 2.320 378 Y HA 0.099 nan 4.550 nan 0.000 0.334 378 Y C 0.435 176.403 175.900 0.113 0.000 1.055 378 Y CA 0.253 58.453 58.100 0.167 0.000 1.143 378 Y CB 0.953 39.544 38.460 0.219 0.000 1.193 378 Y HN 0.235 8.619 8.280 0.173 0.000 0.477 379 T N 4.873 119.576 114.554 0.248 0.000 2.816 379 T HA 0.235 nan 4.350 nan 0.000 0.282 379 T C 0.550 175.305 174.700 0.093 0.000 0.993 379 T CA -0.747 61.429 62.100 0.127 0.000 0.994 379 T CB 1.322 70.247 68.868 0.094 0.000 1.025 379 T HN 0.249 8.657 8.240 0.279 0.000 0.529 380 K N 1.190 121.603 120.400 0.022 0.000 2.147 380 K HA -0.345 nan 4.320 nan 0.000 0.205 380 K C 2.281 178.893 176.600 0.020 0.000 1.049 380 K CA 3.160 59.436 56.287 -0.018 0.000 0.936 380 K CB 0.005 32.484 32.500 -0.035 0.000 0.722 380 K HN 0.306 8.565 8.250 0.014 0.000 0.446 381 E N -1.572 118.653 120.200 0.040 0.000 2.058 381 E HA -0.311 nan 4.350 nan 0.000 0.194 381 E C 1.127 177.771 176.600 0.073 0.000 0.997 381 E CA 2.848 59.275 56.400 0.045 0.000 0.801 381 E CB -0.627 29.100 29.700 0.046 0.000 0.746 381 E HN 0.096 8.468 8.360 0.038 0.011 0.450 382 E N -2.113 118.158 120.200 0.118 0.000 2.072 382 E HA -0.164 nan 4.350 nan 0.000 0.191 382 E C 1.742 178.425 176.600 0.139 0.000 0.985 382 E CA 2.188 58.672 56.400 0.139 0.000 0.801 382 E CB -0.153 29.707 29.700 0.267 0.000 0.750 382 E HN -0.623 7.727 8.360 0.135 0.091 0.452 383 L N -3.111 118.198 121.223 0.144 0.000 2.044 383 L HA -0.195 nan 4.340 nan 0.000 0.205 383 L C 0.809 177.755 176.870 0.126 0.000 1.075 383 L CA 2.010 56.937 54.840 0.146 0.000 0.747 383 L CB 0.338 42.400 42.059 0.004 0.000 0.903 383 L HN -0.672 7.633 8.230 0.125 0.000 0.435 384 S N -3.090 112.656 115.700 0.077 0.000 2.576 384 S HA -0.047 nan 4.470 nan 0.000 0.276 384 S C -0.876 173.817 174.600 0.154 0.000 1.339 384 S CA 0.845 59.093 58.200 0.080 0.000 1.039 384 S CB 0.695 63.906 63.200 0.019 0.000 0.902 384 S HN -0.214 8.029 8.310 0.059 0.102 0.516 385 F N 5.460 125.414 119.950 0.006 0.000 2.434 385 F HA 0.376 nan 4.527 nan 0.000 0.355 385 F C -2.709 173.092 175.800 0.001 0.000 1.115 385 F CA -3.406 54.599 58.000 0.009 0.000 1.010 385 F CB 2.874 41.882 39.000 0.013 0.000 1.234 385 F HN -0.445 8.169 8.300 0.214 -0.185 0.439 386 P HA 0.060 nan 4.420 nan 0.000 0.275 386 P C -0.587 176.469 177.300 -0.407 0.000 1.228 386 P CA -0.047 62.851 63.100 -0.338 0.000 0.786 386 P CB 0.470 32.022 31.700 -0.246 0.000 0.927 387 G N 0.524 109.213 108.800 -0.186 0.000 2.253 387 G HA2 -0.306 nan 3.960 nan 0.000 0.251 387 G HA3 -0.306 nan 3.960 nan 0.000 0.251 387 G C -1.201 173.677 174.900 -0.036 0.000 0.998 387 G CA 0.548 45.576 45.100 -0.120 0.000 0.621 387 G HN 0.090 8.304 8.290 -0.127 0.000 0.524 388 V N 1.499 121.423 119.914 0.017 0.000 2.435 388 V HA 0.402 nan 4.120 nan 0.000 0.290 388 V C -1.421 174.722 176.094 0.082 0.000 1.030 388 V CA -0.770 61.613 62.300 0.139 0.000 0.881 388 V CB 0.668 32.720 31.823 0.382 0.000 0.983 388 V HN -0.727 7.353 8.190 -0.039 0.086 0.445 389 E N 6.965 127.193 120.200 0.047 0.000 2.272 389 E HA 0.437 nan 4.350 nan 0.000 0.269 389 E C -1.582 175.022 176.600 0.007 0.000 0.877 389 E CA -1.640 54.772 56.400 0.020 0.000 0.755 389 E CB 4.736 34.441 29.700 0.007 0.000 1.192 389 E HN 0.334 8.722 8.360 0.045 0.000 0.422 390 V N 6.763 126.671 119.914 -0.010 0.000 2.348 390 V HA 0.275 nan 4.120 nan 0.000 0.270 390 V C -0.103 175.978 176.094 -0.022 0.000 1.037 390 V CA -0.010 62.272 62.300 -0.029 0.000 0.872 390 V CB -0.602 31.184 31.823 -0.063 0.000 1.002 390 V HN 0.307 8.491 8.190 -0.011 0.000 0.464 391 V N 8.086 127.991 119.914 -0.015 0.000 2.323 391 V HA -0.014 nan 4.120 nan 0.000 0.244 391 V C 0.189 176.279 176.094 -0.007 0.000 1.041 391 V CA 1.781 64.076 62.300 -0.008 0.000 1.025 391 V CB 0.472 32.292 31.823 -0.004 0.000 0.656 391 V HN 0.669 8.849 8.190 -0.017 0.000 0.451 392 G N -4.531 104.262 108.800 -0.010 0.000 2.489 392 G HA2 0.151 nan 3.960 nan 0.000 0.291 392 G HA3 0.151 nan 3.960 nan 0.000 0.291 392 G C -3.244 171.656 174.900 -0.000 0.000 1.487 392 G CA 0.634 45.733 45.100 -0.002 0.000 0.795 392 G HN -0.820 7.460 8.290 -0.016 0.000 0.513 393 V N -0.919 119.004 119.914 0.015 0.000 2.925 393 V HA 0.705 nan 4.120 nan 0.000 0.311 393 V C -1.451 174.680 176.094 0.061 0.000 1.104 393 V CA -1.580 60.743 62.300 0.037 0.000 0.954 393 V CB 3.505 35.347 31.823 0.031 0.000 1.022 393 V HN 0.280 8.482 8.190 0.020 0.000 0.427 394 S N 2.461 118.215 115.700 0.090 0.000 2.546 394 S HA 0.689 nan 4.470 nan 0.000 0.274 394 S C -1.885 172.783 174.600 0.113 0.000 1.121 394 S CA -1.078 57.170 58.200 0.080 0.000 0.887 394 S CB 3.509 66.739 63.200 0.051 0.000 1.094 394 S HN 0.306 8.679 8.310 0.105 0.000 0.474 395 I N -1.595 119.019 120.570 0.073 0.000 2.404 395 I HA 0.651 nan 4.170 nan 0.000 0.293 395 I C -1.793 174.323 176.117 -0.001 0.000 0.992 395 I CA -2.106 59.208 61.300 0.024 0.000 1.149 395 I CB 1.281 39.241 38.000 -0.067 0.000 1.315 395 I HN 0.356 8.891 8.210 0.053 -0.294 0.446 396 N N 8.131 126.836 118.700 0.009 0.000 2.400 396 N HA 0.440 nan 4.740 nan 0.000 0.288 396 N C -1.460 174.079 175.510 0.047 0.000 1.024 396 N CA 0.190 53.253 53.050 0.021 0.000 0.894 396 N CB 2.251 40.751 38.487 0.021 0.000 1.173 396 N HN 0.576 8.847 8.380 0.001 0.109 0.487 397 S N 2.748 118.469 115.700 0.034 0.000 2.929 397 S HA 0.195 nan 4.470 nan 0.000 0.311 397 S C -0.713 173.899 174.600 0.019 0.000 1.213 397 S CA -0.409 57.820 58.200 0.048 0.000 0.908 397 S CB 2.266 65.490 63.200 0.040 0.000 1.287 397 S HN 0.025 8.345 8.310 0.017 0.000 0.594 398 K N 1.988 122.394 120.400 0.010 0.000 2.032 398 K HA -0.147 nan 4.320 nan 0.000 0.209 398 K C 0.008 176.603 176.600 -0.008 0.000 1.048 398 K CA 1.829 58.113 56.287 -0.006 0.000 0.927 398 K CB 0.281 32.769 32.500 -0.020 0.000 0.712 398 K HN 0.063 8.662 8.250 0.015 -0.339 0.441 399 T N 0.434 114.982 114.554 -0.009 0.000 2.807 399 T HA 0.186 nan 4.350 nan 0.000 0.279 399 T C -1.539 173.157 174.700 -0.007 0.000 0.993 399 T CA -0.673 61.422 62.100 -0.009 0.000 0.970 399 T CB 1.980 70.840 68.868 -0.013 0.000 0.950 399 T HN -0.168 8.070 8.240 -0.010 -0.005 0.441 400 A N 3.992 126.811 122.820 -0.002 0.000 2.462 400 A HA -0.083 nan 4.320 nan 0.000 0.243 400 A C 0.157 177.739 177.584 -0.003 0.000 1.076 400 A CA 0.775 52.813 52.037 0.000 0.000 0.773 400 A CB 0.035 19.039 19.000 0.008 0.000 1.010 400 A HN 0.318 8.468 8.150 -0.000 0.000 0.493 401 N N -2.413 116.280 118.700 -0.011 0.000 2.800 401 N HA -0.424 nan 4.740 nan 0.000 0.250 401 N C -1.543 173.954 175.510 -0.022 0.000 1.078 401 N CA 1.187 54.230 53.050 -0.011 0.000 0.804 401 N CB -1.515 36.981 38.487 0.015 0.000 1.135 401 N HN 0.265 8.531 8.380 -0.015 0.105 0.565 402 V N -8.415 111.477 119.914 -0.037 0.000 2.709 402 V HA 0.786 nan 4.120 nan 0.000 0.308 402 V C -2.172 173.882 176.094 -0.067 0.000 1.062 402 V CA -2.297 59.981 62.300 -0.037 0.000 0.901 402 V CB 3.088 34.899 31.823 -0.020 0.000 1.003 402 V HN -0.602 7.513 8.190 -0.036 0.054 0.425 403 I N 4.151 124.669 120.570 -0.086 0.000 2.474 403 I HA 0.464 nan 4.170 nan 0.000 0.294 403 I C -1.913 174.187 176.117 -0.027 0.000 1.005 403 I CA -1.828 59.416 61.300 -0.095 0.000 1.113 403 I CB 3.730 41.595 38.000 -0.224 0.000 1.289 403 I HN 0.710 8.881 8.210 -0.066 0.000 0.436 404 T N 9.164 123.724 114.554 0.010 0.000 2.859 404 T HA 0.546 nan 4.350 nan 0.000 0.281 404 T C -1.942 172.791 174.700 0.054 0.000 1.005 404 T CA -0.811 61.290 62.100 0.001 0.000 1.025 404 T CB 1.871 70.710 68.868 -0.047 0.000 0.977 404 T HN 0.219 8.484 8.240 0.042 0.000 0.458 405 T N 5.877 120.463 114.554 0.053 0.000 2.876 405 T HA 0.965 nan 4.350 nan 0.000 0.289 405 T C -2.371 172.278 174.700 -0.086 0.000 1.014 405 T CA -1.694 60.492 62.100 0.144 0.000 0.986 405 T CB 1.321 70.382 68.868 0.321 0.000 1.021 405 T HN 0.240 8.491 8.240 0.017 0.000 0.458 406 L N 3.937 125.152 121.223 -0.013 0.000 2.510 406 L HA 0.745 nan 4.340 nan 0.000 0.252 406 L C -1.922 175.038 176.870 0.149 0.000 1.091 406 L CA -1.046 53.677 54.840 -0.194 0.000 0.888 406 L CB 4.286 46.254 42.059 -0.152 0.000 1.507 406 L HN 1.001 9.196 8.230 0.128 0.112 0.407 407 I N -0.830 119.820 120.570 0.133 0.000 2.392 407 I HA 0.504 nan 4.170 nan 0.000 0.295 407 I C -1.933 174.180 176.117 -0.006 0.000 0.985 407 I CA -2.505 58.874 61.300 0.131 0.000 1.221 407 I CB 1.593 39.708 38.000 0.192 0.000 1.366 407 I HN 0.203 8.438 8.210 0.041 0.000 0.467 408 K N 8.041 128.322 120.400 -0.197 0.000 2.371 408 K HA 0.433 nan 4.320 nan 0.000 0.251 408 K C -1.737 174.663 176.600 -0.334 0.000 0.934 408 K CA -2.139 53.983 56.287 -0.274 0.000 0.798 408 K CB 3.410 35.680 32.500 -0.384 0.000 1.204 408 K HN 0.868 8.814 8.250 -0.332 0.105 0.427 409 E N 2.854 122.923 120.200 -0.218 0.000 2.313 409 E HA 0.412 nan 4.350 nan 0.000 0.272 409 E C -1.202 175.146 176.600 -0.420 0.000 1.038 409 E CA -0.750 55.414 56.400 -0.394 0.000 0.863 409 E CB 1.159 30.657 29.700 -0.336 0.000 1.060 409 E HN 0.280 8.552 8.360 -0.147 0.000 0.402 410 S N 1.431 116.733 115.700 -0.662 0.000 2.607 410 S HA 0.415 nan 4.470 nan 0.000 0.273 410 S C -2.103 172.000 174.600 -0.828 0.000 1.148 410 S CA -1.088 56.717 58.200 -0.659 0.000 0.833 410 S CB 2.828 65.652 63.200 -0.627 0.000 1.130 410 S HN 0.763 8.565 8.310 -0.846 0.000 0.470 411 L N 1.540 122.495 121.223 -0.446 0.000 2.370 411 L HA 0.872 nan 4.340 nan 0.000 0.266 411 L C -1.654 175.205 176.870 -0.018 0.000 1.002 411 L CA -1.331 53.368 54.840 -0.236 0.000 0.818 411 L CB 3.411 45.395 42.059 -0.126 0.000 1.325 411 L HN 0.289 8.337 8.230 -0.303 0.000 0.418 412 L N 1.848 123.142 121.223 0.117 0.000 2.365 412 L HA 0.456 nan 4.340 nan 0.000 0.273 412 L C -2.205 174.708 176.870 0.071 0.000 1.000 412 L CA -1.427 53.503 54.840 0.150 0.000 0.819 412 L CB 4.410 46.596 42.059 0.211 0.000 1.284 412 L HN 0.850 9.032 8.230 0.104 0.111 0.418 413 E N 5.072 125.300 120.200 0.047 0.000 2.115 413 E HA 0.311 nan 4.350 nan 0.000 0.282 413 E C 0.094 176.705 176.600 0.019 0.000 0.987 413 E CA -0.619 55.794 56.400 0.022 0.000 0.797 413 E CB 0.743 30.453 29.700 0.017 0.000 1.086 413 E HN 0.335 8.726 8.360 0.051 0.000 0.397 414 L N 5.966 127.190 121.223 0.000 0.000 2.240 414 L HA -0.100 nan 4.340 nan 0.000 0.211 414 L C 1.510 178.344 176.870 -0.060 0.000 1.106 414 L CA 2.321 57.161 54.840 -0.000 0.000 0.793 414 L CB -0.040 42.032 42.059 0.023 0.000 0.927 414 L HN 0.878 9.108 8.230 -0.001 0.000 0.446 415 S N -0.930 114.680 115.700 -0.150 0.000 2.387 415 S HA -0.410 nan 4.470 nan 0.000 0.230 415 S C 1.611 175.986 174.600 -0.374 0.000 1.035 415 S CA 3.181 61.227 58.200 -0.257 0.000 1.014 415 S CB -0.271 62.663 63.200 -0.445 0.000 0.836 415 S HN -0.038 8.190 8.310 -0.138 0.000 0.466 416 H N -0.952 117.940 119.070 -0.296 0.000 2.389 416 H HA -0.103 nan 4.556 nan 0.000 0.299 416 H C 1.838 177.014 175.328 -0.254 0.000 1.081 416 H CA 2.880 58.671 56.048 -0.427 0.000 1.345 416 H CB 0.035 29.347 29.762 -0.749 0.000 1.393 416 H HN -0.117 7.947 8.280 -0.320 0.023 0.520 417 G N -2.716 106.044 108.800 -0.068 0.000 2.394 417 G HA2 -0.105 nan 3.960 nan 0.000 0.215 417 G HA3 -0.105 nan 3.960 nan 0.000 0.215 417 G C -0.672 174.165 174.900 -0.106 0.000 1.165 417 G CA 1.016 46.057 45.100 -0.099 0.000 0.784 417 G HN -0.197 8.070 8.290 -0.039 0.000 0.535 418 I N -4.029 116.495 120.570 -0.077 0.000 2.797 418 I HA 0.325 nan 4.170 nan 0.000 0.307 418 I C -1.666 174.394 176.117 -0.095 0.000 1.033 418 I CA -3.323 57.938 61.300 -0.064 0.000 1.071 418 I CB 2.093 40.091 38.000 -0.003 0.000 1.255 418 I HN -0.510 7.662 8.210 -0.064 0.000 0.445 419 N N 2.651 121.277 118.700 -0.124 0.000 2.434 419 N HA -0.221 nan 4.740 nan 0.000 0.268 419 N C -0.090 175.332 175.510 -0.147 0.000 1.256 419 N CA 0.749 53.685 53.050 -0.190 0.000 0.914 419 N CB -0.373 38.031 38.487 -0.138 0.000 1.088 419 N HN 0.029 8.361 8.380 -0.081 0.000 0.478 420 F N 1.156 121.047 119.950 -0.099 0.000 2.163 420 F HA -0.024 nan 4.527 nan 0.000 0.297 420 F C 0.198 175.980 175.800 -0.031 0.000 1.094 420 F CA 0.312 58.266 58.000 -0.075 0.000 1.290 420 F CB -0.027 38.907 39.000 -0.110 0.000 1.017 420 F HN -0.322 8.092 8.300 0.190 0.000 0.483 421 G N 0.311 108.584 108.800 -0.878 0.000 2.531 421 G HA2 -0.543 nan 3.960 nan 0.000 0.274 421 G HA3 -0.543 nan 3.960 nan 0.000 0.274 421 G C 0.543 175.393 174.900 -0.083 0.000 1.159 421 G CA 1.068 45.918 45.100 -0.416 0.000 0.969 421 G HN -0.386 6.989 8.290 -1.743 -0.130 0.554 422 T N 0.895 115.462 114.554 0.021 0.000 2.857 422 T HA -0.089 nan 4.350 nan 0.000 0.266 422 T C 0.626 175.409 174.700 0.139 0.000 1.048 422 T CA 0.607 62.759 62.100 0.086 0.000 1.139 422 T CB -0.092 68.803 68.868 0.046 0.000 0.874 422 T HN 0.604 8.835 8.240 -0.015 0.000 0.455 423 D N 1.971 122.452 120.400 0.134 0.000 2.443 423 D HA -0.062 nan 4.640 nan 0.000 0.239 423 D C 0.214 176.575 176.300 0.101 0.000 1.136 423 D CA -0.051 54.010 54.000 0.102 0.000 0.879 423 D CB -0.193 40.651 40.800 0.074 0.000 1.195 423 D HN -0.706 7.737 8.370 0.121 0.000 0.443 424 Q N 2.650 122.463 119.800 0.023 0.000 2.079 424 Q HA -0.194 nan 4.340 nan 0.000 0.200 424 Q C 0.193 176.136 176.000 -0.096 0.000 0.974 424 Q CA 3.271 59.047 55.803 -0.045 0.000 0.840 424 Q CB 0.960 29.672 28.738 -0.042 0.000 0.898 424 Q HN -0.057 8.227 8.270 0.023 0.000 0.430 425 S N -4.751 110.916 115.700 -0.056 0.000 2.537 425 S HA 0.385 nan 4.470 nan 0.000 0.271 425 S C -2.714 171.867 174.600 -0.032 0.000 1.148 425 S CA -0.412 57.742 58.200 -0.078 0.000 0.868 425 S CB 2.148 65.299 63.200 -0.082 0.000 1.115 425 S HN -0.531 7.766 8.310 -0.021 0.000 0.461 426 V N -0.187 119.710 119.914 -0.029 0.000 2.444 426 V HA 0.825 nan 4.120 nan 0.000 0.294 426 V C -1.851 174.242 176.094 -0.002 0.000 1.022 426 V CA -2.479 59.820 62.300 -0.001 0.000 0.850 426 V CB 1.747 33.581 31.823 0.018 0.000 0.992 426 V HN 0.055 8.212 8.190 -0.054 0.000 0.426 427 K N 4.742 125.144 120.400 0.004 0.000 2.318 427 K HA 0.843 nan 4.320 nan 0.000 0.249 427 K C -2.272 174.344 176.600 0.026 0.000 0.942 427 K CA -2.464 53.829 56.287 0.009 0.000 0.808 427 K CB 3.488 35.981 32.500 -0.011 0.000 1.189 427 K HN 0.095 8.348 8.250 0.005 0.000 0.428 428 V N 1.906 121.854 119.914 0.056 0.000 2.513 428 V HA 0.623 nan 4.120 nan 0.000 0.299 428 V C -2.243 173.888 176.094 0.062 0.000 1.035 428 V CA -2.847 59.500 62.300 0.079 0.000 0.889 428 V CB 3.247 35.150 31.823 0.132 0.000 0.988 428 V HN 0.682 8.914 8.190 0.071 0.000 0.440 429 K N 9.271 129.673 120.400 0.004 0.000 2.183 429 K HA 0.730 nan 4.320 nan 0.000 0.274 429 K C -1.855 174.688 176.600 -0.095 0.000 1.009 429 K CA -1.358 54.842 56.287 -0.144 0.000 0.888 429 K CB 2.290 34.692 32.500 -0.164 0.000 1.078 429 K HN 0.898 9.067 8.250 0.030 0.099 0.459 430 Y N 2.962 123.170 120.300 -0.153 0.000 2.638 430 Y HA 0.462 nan 4.550 nan 0.000 0.339 430 Y C -2.351 173.377 175.900 -0.286 0.000 1.084 430 Y CA -2.623 55.412 58.100 -0.108 0.000 1.068 430 Y CB 2.271 40.755 38.460 0.039 0.000 1.294 430 Y HN 0.972 8.606 8.280 -0.887 0.114 0.480 431 H N -1.143 118.103 119.070 0.292 0.000 2.622 431 H HA 0.775 nan 4.556 nan 0.000 0.363 431 H C -0.502 174.980 175.328 0.257 0.000 1.151 431 H CA -1.676 54.444 56.048 0.121 0.000 1.184 431 H CB 3.701 33.505 29.762 0.071 0.000 1.643 431 H HN 0.198 8.785 8.280 0.512 0.000 0.531 432 H N -2.104 117.122 119.070 0.260 0.000 3.008 432 H HA 0.323 nan 4.556 nan 0.000 0.354 432 H C -2.245 173.179 175.328 0.159 0.000 1.252 432 H CA -2.149 54.002 56.048 0.171 0.000 1.117 432 H CB 2.663 32.390 29.762 -0.058 0.000 1.857 432 H HN 0.825 8.946 8.280 -0.266 0.000 0.547 433 L N -0.917 120.550 121.223 0.406 0.000 2.436 433 L HA 0.292 nan 4.340 nan 0.000 0.265 433 L C -0.495 176.672 176.870 0.494 0.000 1.168 433 L CA 0.286 55.342 54.840 0.359 0.000 0.815 433 L CB 0.875 43.119 42.059 0.308 0.000 1.109 433 L HN 0.332 8.857 8.230 0.491 0.000 0.462 434 D N 3.495 124.103 120.400 0.346 0.000 2.599 434 D HA 0.326 nan 4.640 nan 0.000 0.252 434 D C -2.508 173.919 176.300 0.212 0.000 1.232 434 D CA -1.031 53.139 54.000 0.284 0.000 0.819 434 D CB 3.880 44.788 40.800 0.181 0.000 1.401 434 D HN 0.735 9.288 8.370 0.304 0.000 0.429 435 H N -2.247 116.901 119.070 0.129 0.000 2.946 435 H HA 0.740 nan 4.556 nan 0.000 0.365 435 H C -1.482 173.841 175.328 -0.007 0.000 1.197 435 H CA -2.108 53.979 56.048 0.065 0.000 1.131 435 H CB 3.008 32.824 29.762 0.090 0.000 1.849 435 H HN 0.015 8.096 8.280 -0.332 0.000 0.555 436 E N 1.155 121.438 120.200 0.140 0.000 2.390 436 E HA 0.041 nan 4.350 nan 0.000 0.261 436 E C -1.613 175.031 176.600 0.072 0.000 1.076 436 E CA -1.911 54.521 56.400 0.054 0.000 0.905 436 E CB 1.179 30.914 29.700 0.058 0.000 0.984 436 E HN 0.058 8.529 8.360 0.184 0.000 0.427 437 P HA 0.100 nan 4.420 nan 0.000 0.275 437 P C -2.054 175.256 177.300 0.018 0.000 1.228 437 P CA 0.287 63.272 63.100 -0.191 0.000 0.786 437 P CB 0.600 32.394 31.700 0.157 0.000 0.927 438 F N -4.108 115.888 119.950 0.077 0.000 2.711 438 F HA 0.649 nan 4.527 nan 0.000 0.313 438 F C -2.169 173.559 175.800 -0.119 0.000 1.141 438 F CA -2.237 55.725 58.000 -0.063 0.000 0.941 438 F CB 2.261 41.152 39.000 -0.182 0.000 1.349 438 F HN -0.497 7.449 8.300 -0.590 0.000 0.464 439 T N -1.414 113.169 114.554 0.048 0.000 2.901 439 T HA 0.786 nan 4.350 nan 0.000 0.293 439 T C -2.120 172.476 174.700 -0.173 0.000 1.084 439 T CA -1.951 60.085 62.100 -0.107 0.000 1.008 439 T CB 3.154 71.995 68.868 -0.045 0.000 1.170 439 T HN 0.264 8.579 8.240 0.125 0.000 0.509 440 Y N 0.327 120.714 120.300 0.146 0.000 2.429 440 Y HA 0.609 nan 4.550 nan 0.000 0.342 440 Y C -1.773 174.152 175.900 0.043 0.000 1.004 440 Y CA -2.023 56.144 58.100 0.111 0.000 1.075 440 Y CB 3.296 41.829 38.460 0.122 0.000 1.214 440 Y HN 0.574 8.904 8.280 0.083 0.000 0.455 441 N N 1.881 120.692 118.700 0.186 0.000 2.448 441 N HA 0.459 nan 4.740 nan 0.000 0.279 441 N C -2.212 173.337 175.510 0.065 0.000 1.025 441 N CA -0.753 52.348 53.050 0.086 0.000 0.898 441 N CB 2.983 41.498 38.487 0.047 0.000 1.303 441 N HN 0.602 9.102 8.380 0.202 0.000 0.495 442 I N 6.654 127.235 120.570 0.019 0.000 2.406 442 I HA 0.589 nan 4.170 nan 0.000 0.290 442 I C -2.311 173.783 176.117 -0.038 0.000 0.999 442 I CA -2.382 58.910 61.300 -0.013 0.000 1.124 442 I CB 3.079 41.055 38.000 -0.041 0.000 1.289 442 I HN 0.580 8.786 8.210 -0.007 0.000 0.441 443 V N 9.776 129.675 119.914 -0.025 0.000 2.407 443 V HA 0.528 nan 4.120 nan 0.000 0.278 443 V C -1.549 174.530 176.094 -0.026 0.000 1.037 443 V CA -0.877 61.409 62.300 -0.023 0.000 0.900 443 V CB 0.458 32.276 31.823 -0.009 0.000 0.983 443 V HN 0.610 8.790 8.190 -0.016 0.000 0.459 444 V N 7.623 127.522 119.914 -0.025 0.000 2.735 444 V HA 0.581 nan 4.120 nan 0.000 0.310 444 V C -2.070 174.026 176.094 0.003 0.000 1.061 444 V CA -1.867 60.424 62.300 -0.015 0.000 0.913 444 V CB 3.622 35.432 31.823 -0.022 0.000 1.005 444 V HN 0.923 8.993 8.190 -0.023 0.106 0.428 445 E N 5.615 125.821 120.200 0.011 0.000 2.133 445 E HA 0.320 nan 4.350 nan 0.000 0.274 445 E C -2.037 174.580 176.600 0.028 0.000 0.930 445 E CA -2.210 54.199 56.400 0.015 0.000 0.770 445 E CB 2.505 32.211 29.700 0.009 0.000 1.104 445 E HN 0.735 9.101 8.360 0.010 0.000 0.403 446 N N 6.871 125.589 118.700 0.029 0.000 2.527 446 N HA 0.273 nan 4.740 nan 0.000 0.236 446 N C 0.585 176.108 175.510 0.021 0.000 0.999 446 N CA -1.577 51.498 53.050 0.040 0.000 0.935 446 N CB 0.528 39.042 38.487 0.044 0.000 1.132 446 N HN 0.245 8.639 8.380 0.023 0.000 0.511 447 N N 7.612 126.318 118.700 0.010 0.000 2.270 447 N HA -0.163 nan 4.740 nan 0.000 0.181 447 N C 0.480 175.984 175.510 -0.009 0.000 1.016 447 N CA 1.891 54.938 53.050 -0.005 0.000 0.870 447 N CB 0.100 38.576 38.487 -0.018 0.000 0.979 447 N HN 0.837 9.133 8.380 0.015 0.093 0.431 448 S N 0.884 116.579 115.700 -0.009 0.000 2.589 448 S HA 0.016 nan 4.470 nan 0.000 0.265 448 S C 1.329 175.928 174.600 -0.001 0.000 1.342 448 S CA 0.450 58.642 58.200 -0.012 0.000 1.005 448 S CB 0.841 64.035 63.200 -0.011 0.000 0.909 448 S HN -0.334 8.198 8.310 0.000 -0.222 0.555 449 G N -0.861 107.938 108.800 -0.002 0.000 2.421 449 G HA2 -0.167 nan 3.960 nan 0.000 0.217 449 G HA3 -0.167 nan 3.960 nan 0.000 0.217 449 G C -1.099 173.804 174.900 0.006 0.000 1.143 449 G CA 0.416 45.517 45.100 0.002 0.000 0.784 449 G HN 0.415 8.702 8.290 -0.006 0.000 0.541 450 A N -0.558 122.268 122.820 0.010 0.000 2.288 450 A HA 0.239 nan 4.320 nan 0.000 0.328 450 A C -1.635 175.952 177.584 0.004 0.000 1.123 450 A CA -1.090 50.955 52.037 0.012 0.000 0.861 450 A CB 2.115 21.130 19.000 0.025 0.000 1.272 450 A HN -0.789 7.330 8.150 0.012 0.039 0.490 451 E N -0.461 119.727 120.200 -0.020 0.000 2.373 451 E HA -0.089 nan 4.350 nan 0.000 0.267 451 E C -1.089 175.442 176.600 -0.114 0.000 1.032 451 E CA 0.623 56.978 56.400 -0.076 0.000 0.889 451 E CB 0.609 30.236 29.700 -0.122 0.000 0.984 451 E HN 0.089 8.442 8.360 -0.012 0.000 0.425 452 K N 1.290 121.611 120.400 -0.133 0.000 2.295 452 K HA 0.446 nan 4.320 nan 0.000 0.239 452 K C -1.446 174.966 176.600 -0.314 0.000 0.991 452 K CA -2.544 53.698 56.287 -0.075 0.000 0.845 452 K CB 3.332 35.951 32.500 0.198 0.000 1.197 452 K HN 0.695 8.772 8.250 -0.114 0.104 0.441 453 H N -0.350 118.773 119.070 0.088 0.000 2.547 453 H HA 0.814 nan 4.556 nan 0.000 0.342 453 H C -0.670 174.608 175.328 -0.084 0.000 1.048 453 H CA -0.984 55.104 56.048 0.067 0.000 1.204 453 H CB 2.524 32.592 29.762 0.510 0.000 1.493 453 H HN 0.475 8.874 8.280 0.198 0.000 0.511 454 S N 2.617 118.159 115.700 -0.263 0.000 2.570 454 S HA 0.634 nan 4.470 nan 0.000 0.286 454 S C -1.150 173.324 174.600 -0.209 0.000 1.099 454 S CA -1.611 56.429 58.200 -0.266 0.000 0.913 454 S CB 2.519 65.514 63.200 -0.342 0.000 1.085 454 S HN 0.930 8.857 8.310 -0.638 0.000 0.480 455 T N 3.535 118.030 114.554 -0.099 0.000 2.749 455 T HA 0.476 nan 4.350 nan 0.000 0.287 455 T C -0.960 173.588 174.700 -0.253 0.000 0.970 455 T CA -0.009 62.048 62.100 -0.071 0.000 0.980 455 T CB 0.734 69.632 68.868 0.050 0.000 0.924 455 T HN 0.233 8.397 8.240 -0.126 0.000 0.456 456 V N 8.108 127.699 119.914 -0.539 0.000 2.439 456 V HA 0.510 nan 4.120 nan 0.000 0.282 456 V C -1.285 174.544 176.094 -0.443 0.000 1.039 456 V CA -0.889 61.046 62.300 -0.609 0.000 0.913 456 V CB 0.834 32.009 31.823 -1.080 0.000 0.983 456 V HN 1.151 8.795 8.190 -0.741 0.102 0.460 457 R N 6.024 126.420 120.500 -0.173 0.000 2.480 457 R HA 0.854 nan 4.340 nan 0.000 0.306 457 R C -1.477 174.845 176.300 0.037 0.000 0.958 457 R CA -1.446 54.657 56.100 0.005 0.000 0.861 457 R CB 2.673 33.139 30.300 0.276 0.000 1.171 457 R HN 0.943 9.127 8.270 -0.143 0.000 0.445 458 I N 2.933 123.447 120.570 -0.094 0.000 2.498 458 I HA 0.677 nan 4.170 nan 0.000 0.290 458 I C -1.715 174.288 176.117 -0.189 0.000 1.032 458 I CA -0.976 60.289 61.300 -0.059 0.000 1.073 458 I CB 3.115 40.986 38.000 -0.214 0.000 1.251 458 I HN 0.755 8.840 8.210 -0.209 0.000 0.426 459 F N 4.970 125.065 119.950 0.241 0.000 2.620 459 F HA 0.804 nan 4.527 nan 0.000 0.320 459 F C -2.204 173.752 175.800 0.259 0.000 1.069 459 F CA -1.562 56.588 58.000 0.250 0.000 0.953 459 F CB 4.554 43.699 39.000 0.241 0.000 1.322 459 F HN 0.580 9.184 8.300 0.506 0.000 0.479 460 L N 0.517 121.989 121.223 0.415 0.000 2.386 460 L HA 0.858 nan 4.340 nan 0.000 0.271 460 L C -2.497 174.538 176.870 0.275 0.000 0.993 460 L CA -1.684 53.333 54.840 0.295 0.000 0.819 460 L CB 4.187 46.307 42.059 0.102 0.000 1.294 460 L HN 0.633 9.100 8.230 0.395 0.000 0.414 461 A N 4.727 127.678 122.820 0.218 0.000 2.515 461 A HA 0.759 nan 4.320 nan 0.000 0.298 461 A C -3.601 174.010 177.584 0.044 0.000 1.059 461 A CA -2.762 49.196 52.037 -0.131 0.000 0.698 461 A CB 2.346 20.759 19.000 -0.978 0.000 1.289 461 A HN 0.803 9.131 8.150 0.296 0.000 0.404 462 P HA 0.088 nan 4.420 nan 0.000 0.271 462 P C -1.123 175.988 177.300 -0.315 0.000 1.216 462 P CA -0.549 62.363 63.100 -0.313 0.000 0.771 462 P CB 0.458 31.993 31.700 -0.274 0.000 0.864 463 K N 1.040 121.222 120.400 -0.363 0.000 2.076 463 K HA -0.076 nan 4.320 nan 0.000 0.204 463 K C 0.125 176.452 176.600 -0.455 0.000 1.051 463 K CA 2.285 58.352 56.287 -0.367 0.000 0.949 463 K CB 1.054 33.300 32.500 -0.423 0.000 0.726 463 K HN -0.119 7.829 8.250 -0.504 0.000 0.443 464 Y N -4.617 115.532 120.300 -0.251 0.000 2.320 464 Y HA -0.013 nan 4.550 nan 0.000 0.324 464 Y C -0.278 175.521 175.900 -0.168 0.000 1.190 464 Y CA 0.725 58.715 58.100 -0.183 0.000 1.215 464 Y CB 0.763 39.119 38.460 -0.172 0.000 1.221 464 Y HN -0.584 7.634 8.280 -0.104 0.000 0.486 465 D N 2.275 122.689 120.400 0.023 0.000 2.539 465 D HA 0.125 nan 4.640 nan 0.000 0.280 465 D C -0.140 176.165 176.300 0.008 0.000 1.208 465 D CA -1.580 52.411 54.000 -0.015 0.000 1.088 465 D CB 1.891 42.669 40.800 -0.037 0.000 1.149 465 D HN -0.346 8.047 8.370 0.040 0.000 0.596 466 E N -1.688 118.505 120.200 -0.013 0.000 2.479 466 E HA 0.047 nan 4.350 nan 0.000 0.193 466 E C -0.121 176.477 176.600 -0.004 0.000 1.049 466 E CA 0.893 57.285 56.400 -0.012 0.000 0.870 466 E CB 0.275 29.963 29.700 -0.020 0.000 0.944 466 E HN 0.335 8.680 8.360 -0.024 0.000 0.492 467 L N -1.236 119.989 121.223 0.003 0.000 2.471 467 L HA 0.222 nan 4.340 nan 0.000 0.186 467 L C 0.658 177.541 176.870 0.022 0.000 1.191 467 L CA 1.271 56.114 54.840 0.005 0.000 0.835 467 L CB -0.393 41.664 42.059 -0.003 0.000 1.092 467 L HN -0.163 7.986 8.230 0.003 0.083 0.495 468 N N -3.537 115.184 118.700 0.034 0.000 3.449 468 N HA 0.006 nan 4.740 nan 0.000 0.312 468 N C -1.887 173.665 175.510 0.070 0.000 1.582 468 N CA -0.694 52.403 53.050 0.078 0.000 0.850 468 N CB 1.689 40.207 38.487 0.051 0.000 1.822 468 N HN -0.544 7.847 8.380 0.017 0.000 0.577 469 N N -0.054 118.675 118.700 0.048 0.000 2.423 469 N HA -0.171 nan 4.740 nan 0.000 0.275 469 N C -1.292 174.103 175.510 -0.191 0.000 1.283 469 N CA 1.292 54.200 53.050 -0.237 0.000 0.932 469 N CB 0.107 38.410 38.487 -0.306 0.000 1.185 469 N HN 0.251 8.700 8.380 0.116 0.000 0.483 470 K N 4.598 124.886 120.400 -0.188 0.000 2.761 470 K HA 0.218 nan 4.320 nan 0.000 0.257 470 K C -1.202 175.326 176.600 -0.120 0.000 1.053 470 K CA -1.053 55.161 56.287 -0.121 0.000 1.035 470 K CB 1.262 33.718 32.500 -0.072 0.000 1.267 470 K HN -0.260 7.859 8.250 -0.219 0.000 0.505 471 L N 6.191 127.349 121.223 -0.109 0.000 2.416 471 L HA 0.027 nan 4.340 nan 0.000 0.243 471 L C -0.971 175.877 176.870 -0.037 0.000 1.373 471 L CA -0.592 54.198 54.840 -0.082 0.000 1.227 471 L CB -1.268 40.759 42.059 -0.054 0.000 1.428 471 L HN 0.667 8.836 8.230 -0.101 0.000 0.425 472 E N 2.202 122.371 120.200 -0.052 0.000 2.044 472 E HA 0.205 nan 4.350 nan 0.000 0.282 472 E C -1.396 175.193 176.600 -0.018 0.000 1.031 472 E CA -2.530 53.855 56.400 -0.025 0.000 0.824 472 E CB 0.020 29.702 29.700 -0.030 0.000 1.076 472 E HN -0.160 8.110 8.360 -0.079 0.042 0.395 473 P HA -0.258 nan 4.420 nan 0.000 0.219 473 P C 0.712 178.028 177.300 0.027 0.000 1.146 473 P CA 2.532 65.656 63.100 0.040 0.000 0.808 473 P CB 0.172 31.879 31.700 0.012 0.000 0.779 474 D N -1.638 118.766 120.400 0.006 0.000 2.097 474 D HA -0.257 nan 4.640 nan 0.000 0.195 474 D C 2.551 178.851 176.300 0.000 0.000 0.989 474 D CA 3.091 57.095 54.000 0.007 0.000 0.827 474 D CB -0.378 40.425 40.800 0.004 0.000 0.966 474 D HN 0.308 8.657 8.370 0.005 0.024 0.456 475 E N -0.534 119.649 120.200 -0.028 0.000 2.106 475 E HA -0.304 nan 4.350 nan 0.000 0.192 475 E C 2.639 179.172 176.600 -0.111 0.000 0.984 475 E CA 2.593 58.958 56.400 -0.059 0.000 0.806 475 E CB -0.107 29.548 29.700 -0.075 0.000 0.750 475 E HN -0.486 7.856 8.360 -0.030 0.000 0.458 476 Q N -1.657 118.056 119.800 -0.145 0.000 2.234 476 Q HA -0.312 nan 4.340 nan 0.000 0.206 476 Q C 2.067 177.859 176.000 -0.346 0.000 0.980 476 Q CA 2.807 58.368 55.803 -0.404 0.000 0.869 476 Q CB -0.362 28.134 28.738 -0.404 0.000 0.912 476 Q HN -0.224 7.879 8.270 -0.079 0.120 0.436 477 R N -1.726 118.811 120.500 0.060 0.000 2.091 477 R HA -0.294 nan 4.340 nan 0.000 0.238 477 R C 1.955 178.286 176.300 0.052 0.000 1.136 477 R CA 2.692 58.905 56.100 0.188 0.000 0.959 477 R CB -0.548 29.840 30.300 0.147 0.000 0.856 477 R HN -0.671 7.501 8.270 0.064 0.136 0.437 478 R N -3.153 117.328 120.500 -0.032 0.000 2.075 478 R HA -0.114 nan 4.340 nan 0.000 0.232 478 R C 2.004 178.242 176.300 -0.103 0.000 1.126 478 R CA 1.484 57.559 56.100 -0.042 0.000 0.963 478 R CB -0.187 30.090 30.300 -0.039 0.000 0.858 478 R HN -0.530 7.721 8.270 -0.037 -0.003 0.435 479 L N -1.717 119.377 121.223 -0.214 0.000 2.156 479 L HA -0.187 nan 4.340 nan 0.000 0.208 479 L C 0.615 177.319 176.870 -0.277 0.000 1.095 479 L CA 1.544 56.222 54.840 -0.270 0.000 0.770 479 L CB 0.090 41.903 42.059 -0.410 0.000 0.914 479 L HN -0.742 7.193 8.230 -0.266 0.135 0.439 480 F N -2.580 117.200 119.950 -0.283 0.000 2.608 480 F HA -0.197 nan 4.527 nan 0.000 0.380 480 F C 0.249 176.008 175.800 -0.070 0.000 1.083 480 F CA 1.713 59.520 58.000 -0.323 0.000 1.266 480 F CB 0.157 38.590 39.000 -0.944 0.000 1.076 480 F HN -0.630 7.407 8.300 -0.440 0.000 0.574 481 I N -1.452 119.283 120.570 0.275 0.000 2.530 481 I HA 0.483 nan 4.170 nan 0.000 0.297 481 I C -1.733 174.579 176.117 0.325 0.000 1.011 481 I CA -2.244 59.192 61.300 0.227 0.000 1.107 481 I CB 3.432 41.476 38.000 0.074 0.000 1.285 481 I HN 0.668 9.045 8.210 0.279 0.000 0.436 482 E N 4.784 125.105 120.200 0.202 0.000 2.152 482 E HA 0.132 nan 4.350 nan 0.000 0.285 482 E C -0.242 176.250 176.600 -0.180 0.000 1.043 482 E CA -1.049 55.179 56.400 -0.286 0.000 0.839 482 E CB 1.234 30.869 29.700 -0.109 0.000 1.069 482 E HN -0.209 8.551 8.360 0.262 -0.242 0.399 483 L N 5.947 127.031 121.223 -0.233 0.000 2.095 483 L HA -0.037 nan 4.340 nan 0.000 0.204 483 L C -0.456 176.379 176.870 -0.057 0.000 1.080 483 L CA 1.868 56.675 54.840 -0.055 0.000 0.759 483 L CB 0.441 42.523 42.059 0.038 0.000 0.914 483 L HN 0.448 8.441 8.230 -0.394 0.000 0.439 484 D N -5.490 114.828 120.400 -0.138 0.000 2.720 484 D HA 0.140 nan 4.640 nan 0.000 0.239 484 D C -2.787 173.511 176.300 -0.003 0.000 1.218 484 D CA -0.103 53.897 54.000 -0.000 0.000 0.748 484 D CB 3.287 44.184 40.800 0.162 0.000 1.387 484 D HN -0.638 7.555 8.370 -0.296 0.000 0.438 485 K N 2.253 122.713 120.400 0.100 0.000 2.535 485 K HA 0.761 nan 4.320 nan 0.000 0.250 485 K C -1.916 174.803 176.600 0.198 0.000 0.948 485 K CA -0.571 55.748 56.287 0.053 0.000 0.796 485 K CB 2.978 35.500 32.500 0.036 0.000 1.216 485 K HN -0.258 8.080 8.250 0.146 0.000 0.432 486 F N 1.312 121.288 119.950 0.043 0.000 2.713 486 F HA 0.318 nan 4.527 nan 0.000 0.311 486 F C -3.115 172.762 175.800 0.129 0.000 1.141 486 F CA -1.930 56.119 58.000 0.083 0.000 0.939 486 F CB 1.955 40.993 39.000 0.063 0.000 1.325 486 F HN 0.179 8.185 8.300 -0.491 0.000 0.453 487 F N 0.165 120.228 119.950 0.189 0.000 2.421 487 F HA 0.689 nan 4.527 nan 0.000 0.337 487 F C -2.195 173.726 175.800 0.200 0.000 1.105 487 F CA -1.118 56.904 58.000 0.037 0.000 1.049 487 F CB 2.138 41.034 39.000 -0.174 0.000 1.139 487 F HN -0.200 8.419 8.300 0.531 0.000 0.479 488 Y N 7.536 127.084 120.300 -1.254 0.000 2.562 488 Y HA 0.225 nan 4.550 nan 0.000 0.345 488 Y C -2.469 172.779 175.900 -1.087 0.000 1.045 488 Y CA -0.737 56.888 58.100 -0.791 0.000 1.028 488 Y CB 4.782 43.093 38.460 -0.249 0.000 1.297 488 Y HN 0.720 8.246 8.280 -1.256 0.000 0.463 489 T N 5.378 119.338 114.554 -0.989 0.000 2.823 489 T HA 0.641 nan 4.350 nan 0.000 0.279 489 T C -1.468 173.063 174.700 -0.282 0.000 0.998 489 T CA -0.618 61.157 62.100 -0.542 0.000 0.994 489 T CB 0.946 69.617 68.868 -0.330 0.000 0.960 489 T HN -0.003 7.259 8.240 -1.630 0.000 0.448 490 L N 6.294 127.428 121.223 -0.148 0.000 2.346 490 L HA 0.447 nan 4.340 nan 0.000 0.276 490 L C -0.535 176.310 176.870 -0.043 0.000 1.006 490 L CA -1.418 53.419 54.840 -0.005 0.000 0.817 490 L CB 2.465 44.543 42.059 0.032 0.000 1.272 490 L HN 1.023 8.999 8.230 -0.229 0.117 0.421 491 T N 0.019 114.570 114.554 -0.006 0.000 2.862 491 T HA 0.492 nan 4.350 nan 0.000 0.276 491 T C -2.156 172.547 174.700 0.005 0.000 0.974 491 T CA -3.142 58.950 62.100 -0.013 0.000 0.966 491 T CB -0.486 68.380 68.868 -0.003 0.000 1.072 491 T HN -0.247 8.172 8.240 0.027 -0.162 0.538 492 P HA -0.013 nan 4.420 nan 0.000 0.274 492 P C -0.896 176.411 177.300 0.011 0.000 1.231 492 P CA -0.022 63.083 63.100 0.009 0.000 0.790 492 P CB 0.271 31.974 31.700 0.005 0.000 0.951 493 G N 2.035 110.842 108.800 0.012 0.000 2.627 493 G HA2 -0.364 nan 3.960 nan 0.000 0.214 493 G HA3 -0.364 nan 3.960 nan 0.000 0.214 493 G C -1.744 173.164 174.900 0.014 0.000 1.331 493 G CA -0.582 44.525 45.100 0.011 0.000 0.891 493 G HN 0.047 8.344 8.290 0.012 0.000 0.539 494 K N 1.085 121.493 120.400 0.012 0.000 2.237 494 K HA 0.271 nan 4.320 nan 0.000 0.270 494 K C -0.715 175.895 176.600 0.017 0.000 1.015 494 K CA 0.517 56.811 56.287 0.012 0.000 0.949 494 K CB 0.822 33.327 32.500 0.008 0.000 0.976 494 K HN 0.104 8.360 8.250 0.011 0.000 0.472 495 N N 2.313 121.022 118.700 0.015 0.000 2.242 495 N HA 0.313 nan 4.740 nan 0.000 0.292 495 N C -2.232 173.274 175.510 -0.007 0.000 1.125 495 N CA -0.683 52.381 53.050 0.023 0.000 0.783 495 N CB 5.093 43.610 38.487 0.050 0.000 1.558 495 N HN 0.310 8.694 8.380 0.007 0.000 0.472 496 T N -2.337 112.208 114.554 -0.016 0.000 2.840 496 T HA 0.582 nan 4.350 nan 0.000 0.287 496 T C -0.883 173.746 174.700 -0.118 0.000 0.991 496 T CA -1.435 60.636 62.100 -0.048 0.000 0.964 496 T CB 1.150 70.006 68.868 -0.020 0.000 0.954 496 T HN 0.126 8.373 8.240 0.011 0.000 0.438 497 I N 6.805 127.252 120.570 -0.204 0.000 2.378 497 I HA 0.338 nan 4.170 nan 0.000 0.291 497 I C -1.400 174.612 176.117 -0.176 0.000 0.992 497 I CA -0.852 60.209 61.300 -0.398 0.000 1.154 497 I CB 2.511 40.144 38.000 -0.611 0.000 1.315 497 I HN 0.772 8.785 8.210 -0.145 0.110 0.448 498 V N 7.399 127.229 119.914 -0.139 0.000 2.555 498 V HA 0.554 nan 4.120 nan 0.000 0.302 498 V C -1.247 174.793 176.094 -0.090 0.000 1.038 498 V CA -1.524 60.744 62.300 -0.053 0.000 0.887 498 V CB 1.821 33.625 31.823 -0.032 0.000 0.991 498 V HN 0.281 8.370 8.190 -0.168 0.000 0.434 499 R N 7.728 128.202 120.500 -0.044 0.000 2.725 499 R HA 0.474 nan 4.340 nan 0.000 0.277 499 R C -2.293 173.969 176.300 -0.062 0.000 0.987 499 R CA -2.568 53.442 56.100 -0.150 0.000 0.901 499 R CB 4.149 34.236 30.300 -0.355 0.000 1.207 499 R HN 0.222 8.530 8.270 0.063 0.000 0.463 500 N N 3.472 122.079 118.700 -0.154 0.000 2.466 500 N HA 0.359 nan 4.740 nan 0.000 0.294 500 N C 1.133 176.484 175.510 -0.266 0.000 1.129 500 N CA -1.412 51.512 53.050 -0.210 0.000 0.931 500 N CB 1.486 39.824 38.487 -0.248 0.000 1.193 500 N HN 0.351 8.609 8.380 -0.202 0.000 0.500 501 H N 0.511 119.307 119.070 -0.457 0.000 2.421 501 H HA -0.309 nan 4.556 nan 0.000 0.298 501 H C 2.135 177.318 175.328 -0.242 0.000 1.087 501 H CA 3.717 59.454 56.048 -0.518 0.000 1.330 501 H CB -0.044 28.951 29.762 -1.278 0.000 1.388 501 H HN 0.577 8.591 8.280 -0.443 0.000 0.526 502 Q N -1.150 117.948 119.800 -1.169 0.000 2.135 502 Q HA -0.336 nan 4.340 nan 0.000 0.204 502 Q C 0.800 176.600 176.000 -0.333 0.000 0.981 502 Q CA 2.611 57.944 55.803 -0.783 0.000 0.856 502 Q CB -0.839 27.528 28.738 -0.619 0.000 0.902 502 Q HN 0.342 7.856 8.270 -1.204 0.033 0.425 503 D N -2.567 117.670 120.400 -0.273 0.000 2.310 503 D HA -0.011 nan 4.640 nan 0.000 0.212 503 D C 0.478 176.716 176.300 -0.104 0.000 0.965 503 D CA 0.541 54.437 54.000 -0.174 0.000 0.879 503 D CB 0.165 40.849 40.800 -0.193 0.000 0.921 503 D HN -0.603 7.647 8.370 -0.322 -0.073 0.510 504 S N 0.724 116.386 115.700 -0.063 0.000 2.715 504 S HA -0.352 nan 4.470 nan 0.000 0.318 504 S C 0.821 175.412 174.600 -0.014 0.000 1.242 504 S CA 0.608 58.813 58.200 0.007 0.000 1.044 504 S CB 0.337 63.578 63.200 0.068 0.000 0.760 504 S HN -0.474 7.588 8.310 -0.095 0.191 0.501 505 S N 8.720 124.414 115.700 -0.011 0.000 2.453 505 S HA -0.171 nan 4.470 nan 0.000 0.231 505 S C 1.623 176.160 174.600 -0.104 0.000 1.005 505 S CA 3.256 61.438 58.200 -0.030 0.000 0.949 505 S CB 0.107 63.306 63.200 -0.002 0.000 0.774 505 S HN 0.141 8.755 8.310 0.022 -0.290 0.510 506 V N -6.275 113.523 119.914 -0.194 0.000 2.719 506 V HA 0.045 nan 4.120 nan 0.000 0.252 506 V C -0.512 175.496 176.094 -0.142 0.000 1.065 506 V CA 1.452 63.485 62.300 -0.445 0.000 1.086 506 V CB -0.829 30.623 31.823 -0.619 0.000 0.700 506 V HN -0.633 7.443 8.190 -0.135 0.033 0.467 507 T N -3.847 110.706 114.554 -0.001 0.000 2.945 507 T HA 0.539 nan 4.350 nan 0.000 0.286 507 T C -1.392 173.341 174.700 0.054 0.000 1.025 507 T CA -2.696 59.458 62.100 0.089 0.000 1.039 507 T CB 2.420 71.354 68.868 0.111 0.000 1.068 507 T HN -0.713 7.476 8.240 -0.019 0.040 0.497 508 I N 2.292 122.900 120.570 0.062 0.000 2.416 508 I HA 0.068 nan 4.170 nan 0.000 0.288 508 I C 0.026 176.130 176.117 -0.022 0.000 1.051 508 I CA -2.023 59.285 61.300 0.015 0.000 1.375 508 I CB 1.753 39.767 38.000 0.022 0.000 1.407 508 I HN 0.123 8.383 8.210 0.084 0.000 0.516 509 S N 9.488 125.151 115.700 -0.061 0.000 2.383 509 S HA -0.228 nan 4.470 nan 0.000 0.227 509 S C -0.145 174.409 174.600 -0.077 0.000 1.026 509 S CA 2.377 60.533 58.200 -0.073 0.000 0.981 509 S CB 0.457 63.599 63.200 -0.096 0.000 0.818 509 S HN 0.423 8.940 8.310 -0.074 -0.252 0.472 510 K N -1.340 118.992 120.400 -0.113 0.000 2.589 510 K HA -0.007 nan 4.320 nan 0.000 0.265 510 K C -2.308 174.204 176.600 -0.146 0.000 0.935 510 K CA -0.040 56.184 56.287 -0.104 0.000 0.850 510 K CB 2.130 34.569 32.500 -0.103 0.000 1.372 510 K HN -0.790 7.370 8.250 -0.149 0.000 0.420 511 V N 2.330 122.195 119.914 -0.081 0.000 2.417 511 V HA 0.181 nan 4.120 nan 0.000 0.291 511 V C -0.877 175.210 176.094 -0.013 0.000 1.024 511 V CA -1.792 60.468 62.300 -0.066 0.000 0.861 511 V CB 1.716 33.522 31.823 -0.029 0.000 0.985 511 V HN 0.128 8.289 8.190 -0.048 0.000 0.436 512 R N 6.807 127.343 120.500 0.059 0.000 2.308 512 R HA 0.204 nan 4.340 nan 0.000 0.305 512 R C -0.062 176.259 176.300 0.036 0.000 1.053 512 R CA -1.180 54.969 56.100 0.082 0.000 0.957 512 R CB 0.131 30.539 30.300 0.181 0.000 1.022 512 R HN 0.069 8.413 8.270 0.122 0.000 0.461 513 T N 2.515 117.083 114.554 0.023 0.000 2.900 513 T HA 0.099 nan 4.350 nan 0.000 0.307 513 T C 1.071 175.787 174.700 0.027 0.000 1.065 513 T CA 0.091 62.206 62.100 0.024 0.000 1.105 513 T CB 1.485 70.376 68.868 0.039 0.000 0.979 513 T HN 0.145 8.401 8.240 0.026 0.000 0.544 514 F N 6.125 125.935 119.950 -0.234 0.000 2.192 514 F HA -0.402 nan 4.527 nan 0.000 0.301 514 F C 1.436 177.102 175.800 -0.223 0.000 1.079 514 F CA 3.743 61.523 58.000 -0.367 0.000 1.303 514 F CB 0.207 38.647 39.000 -0.934 0.000 1.024 514 F HN 0.382 9.060 8.300 0.082 -0.329 0.494 515 D N -1.866 118.611 120.400 0.128 0.000 2.084 515 D HA -0.341 nan 4.640 nan 0.000 0.194 515 D C 2.387 178.727 176.300 0.067 0.000 0.990 515 D CA 3.871 57.941 54.000 0.117 0.000 0.826 515 D CB -0.540 40.322 40.800 0.104 0.000 0.971 515 D HN -0.527 7.897 8.370 0.107 0.011 0.453 516 Q N -0.658 119.168 119.800 0.043 0.000 2.050 516 Q HA -0.297 nan 4.340 nan 0.000 0.202 516 Q C 2.956 178.959 176.000 0.005 0.000 0.980 516 Q CA 2.750 58.567 55.803 0.023 0.000 0.840 516 Q CB 0.111 28.863 28.738 0.024 0.000 0.898 516 Q HN -0.665 7.548 8.270 0.045 0.084 0.424 517 L N -1.198 120.014 121.223 -0.018 0.000 2.129 517 L HA -0.337 nan 4.340 nan 0.000 0.212 517 L C 2.160 179.006 176.870 -0.040 0.000 1.087 517 L CA 2.263 57.057 54.840 -0.077 0.000 0.757 517 L CB -0.744 41.211 42.059 -0.173 0.000 0.896 517 L HN 0.308 8.532 8.230 -0.010 0.000 0.434 518 G N -2.041 106.778 108.800 0.031 0.000 2.450 518 G HA2 -0.310 nan 3.960 nan 0.000 0.220 518 G HA3 -0.310 nan 3.960 nan 0.000 0.220 518 G C -0.190 174.722 174.900 0.021 0.000 1.130 518 G CA 0.975 46.109 45.100 0.058 0.000 0.760 518 G HN -0.041 8.083 8.290 0.064 0.205 0.557 519 A N 1.137 123.961 122.820 0.007 0.000 2.109 519 A HA 0.265 nan 4.320 nan 0.000 0.220 519 A C -0.418 177.152 177.584 -0.023 0.000 1.613 519 A CA 0.348 52.382 52.037 -0.005 0.000 0.620 519 A CB 1.169 20.168 19.000 -0.002 0.000 1.212 519 A HN -0.166 7.857 8.150 0.010 0.133 0.508 520 G N -1.858 106.924 108.800 -0.030 0.000 2.194 520 G HA2 -0.099 nan 3.960 nan 0.000 0.178 520 G HA3 -0.099 nan 3.960 nan 0.000 0.178 520 G C -1.821 173.058 174.900 -0.035 0.000 2.173 520 G CA -0.489 44.583 45.100 -0.047 0.000 1.042 520 G HN 0.016 8.293 8.290 -0.022 0.000 0.588 521 E N 1.571 121.754 120.200 -0.029 0.000 2.405 521 E HA 0.294 nan 4.350 nan 0.000 0.249 521 E C -0.801 175.798 176.600 -0.001 0.000 1.028 521 E CA -0.778 55.619 56.400 -0.004 0.000 0.897 521 E CB 1.285 31.001 29.700 0.027 0.000 1.262 521 E HN 0.128 8.462 8.360 -0.044 0.000 0.442 522 G N -0.173 108.639 108.800 0.020 0.000 4.370 522 G HA2 0.239 nan 3.960 nan 0.000 0.295 522 G HA3 0.239 nan 3.960 nan 0.000 0.295 522 G C -1.423 173.494 174.900 0.029 0.000 1.312 522 G CA 0.143 45.250 45.100 0.012 0.000 0.845 522 G HN 0.319 8.625 8.290 0.027 0.000 0.531 523 V N -0.384 119.579 119.914 0.081 0.000 3.556 523 V HA 0.173 nan 4.120 nan 0.000 0.287 523 V C 0.583 176.709 176.094 0.053 0.000 1.422 523 V CA -0.379 61.955 62.300 0.057 0.000 1.038 523 V CB 0.024 31.874 31.823 0.046 0.000 0.850 523 V HN 0.055 8.324 8.190 0.131 0.000 0.437 524 S N 0.376 116.141 115.700 0.108 0.000 3.609 524 S HA 0.233 nan 4.470 nan 0.000 0.182 524 S C -0.803 173.842 174.600 0.074 0.000 0.942 524 S CA -1.315 56.924 58.200 0.065 0.000 1.310 524 S CB 1.599 64.809 63.200 0.018 0.000 1.020 524 S HN -0.571 7.823 8.310 0.140 0.000 0.841 525 E N 1.790 121.997 120.200 0.012 0.000 2.914 525 E HA 0.253 nan 4.350 nan 0.000 0.246 525 E C -1.820 174.731 176.600 -0.081 0.000 1.146 525 E CA -0.409 55.946 56.400 -0.074 0.000 0.803 525 E CB 1.384 31.026 29.700 -0.097 0.000 1.409 525 E HN 0.148 8.514 8.360 0.009 0.000 0.392 526 D N 1.501 121.863 120.400 -0.065 0.000 2.880 526 D HA 0.165 nan 4.640 nan 0.000 0.168 526 D C -0.991 175.245 176.300 -0.106 0.000 1.452 526 D CA 0.703 54.664 54.000 -0.064 0.000 1.553 526 D CB 2.722 43.510 40.800 -0.020 0.000 1.386 526 D HN 0.170 8.493 8.370 -0.078 0.000 0.208 527 S N -2.053 113.611 115.700 -0.059 0.000 2.880 527 S HA 0.271 nan 4.470 nan 0.000 0.308 527 S C 1.143 175.680 174.600 -0.105 0.000 1.195 527 S CA -0.635 57.495 58.200 -0.116 0.000 0.866 527 S CB 2.360 65.475 63.200 -0.141 0.000 1.254 527 S HN -0.143 8.201 8.310 0.056 0.000 0.571 528 T N 3.774 118.247 114.554 -0.134 0.000 2.977 528 T HA -0.139 nan 4.350 nan 0.000 0.271 528 T C 0.744 175.383 174.700 -0.101 0.000 1.105 528 T CA 3.601 65.654 62.100 -0.077 0.000 1.116 528 T CB -0.314 68.533 68.868 -0.034 0.000 0.878 528 T HN 0.545 8.675 8.240 -0.183 0.000 0.509 529 E N -0.047 120.088 120.200 -0.109 0.000 2.285 529 E HA -0.250 nan 4.350 nan 0.000 0.194 529 E C 1.886 178.423 176.600 -0.105 0.000 0.997 529 E CA 1.655 57.990 56.400 -0.108 0.000 0.845 529 E CB -1.342 28.323 29.700 -0.059 0.000 0.782 529 E HN -0.196 8.054 8.360 -0.116 0.041 0.491 530 Y N 2.843 123.031 120.300 -0.187 0.000 2.029 530 Y HA -0.517 nan 4.550 nan 0.000 0.269 530 Y C -0.233 175.586 175.900 -0.135 0.000 1.201 530 Y CA 3.671 61.682 58.100 -0.148 0.000 1.115 530 Y CB 0.132 38.499 38.460 -0.155 0.000 0.945 530 Y HN -0.117 7.972 8.280 0.023 0.204 0.497 531 C N -7.546 111.647 119.300 -0.179 0.000 3.730 531 C HA 0.216 nan 4.460 nan 0.000 0.397 531 C C 0.498 175.379 174.990 -0.182 0.000 1.468 531 C CA -2.241 56.584 59.018 -0.321 0.000 1.931 531 C CB 0.328 27.954 27.740 -0.189 0.000 2.773 531 C HN 0.178 8.403 8.230 -0.009 0.000 0.692 532 S N 2.733 118.267 115.700 -0.277 0.000 2.361 532 S HA -0.247 nan 4.470 nan 0.000 0.214 532 S C 0.509 174.979 174.600 -0.216 0.000 1.034 532 S CA 2.903 60.749 58.200 -0.591 0.000 1.025 532 S CB 0.159 62.431 63.200 -1.547 0.000 0.996 532 S HN -0.202 7.946 8.310 -0.271 0.000 0.422 533 C N -0.507 118.687 119.300 -0.177 0.000 2.876 533 C HA -0.097 nan 4.460 nan 0.000 0.276 533 C C 0.117 175.339 174.990 0.387 0.000 1.582 533 C CA 1.517 60.679 59.018 0.241 0.000 2.061 533 C CB 0.559 28.406 27.740 0.179 0.000 2.044 533 C HN -0.279 7.657 8.230 -0.275 0.129 0.647 534 G N -0.595 108.558 108.800 0.588 0.000 2.728 534 G HA2 -0.335 nan 3.960 nan 0.000 0.686 534 G HA3 -0.335 nan 3.960 nan 0.000 0.686 534 G C -1.405 173.707 174.900 0.353 0.000 1.337 534 G CA -0.545 44.810 45.100 0.425 0.000 0.861 534 G HN 0.110 8.797 8.290 0.662 0.000 0.597 535 W N 2.023 123.298 121.300 -0.041 0.000 2.190 535 W HA 0.034 nan 4.660 nan 0.000 0.330 535 W C -1.337 175.137 176.519 -0.075 0.000 1.299 535 W CA -1.761 55.484 57.345 -0.167 0.000 1.215 535 W CB 1.177 30.675 29.460 0.064 0.000 1.147 535 W HN 0.564 8.991 8.180 0.411 0.000 0.563 536 P HA -0.174 nan 4.420 nan 0.000 0.265 536 P C -0.947 176.193 177.300 -0.267 0.000 1.193 536 P CA 0.350 63.247 63.100 -0.339 0.000 0.765 536 P CB 0.374 31.731 31.700 -0.571 0.000 0.823 537 E N 4.206 124.345 120.200 -0.103 0.000 2.077 537 E HA -0.405 nan 4.350 nan 0.000 0.193 537 E C 2.027 178.662 176.600 0.059 0.000 0.989 537 E CA 3.479 59.907 56.400 0.047 0.000 0.800 537 E CB 0.058 29.803 29.700 0.075 0.000 0.746 537 E HN 0.720 9.042 8.360 -0.063 0.000 0.452 538 H N -3.428 115.668 119.070 0.044 0.000 2.421 538 H HA -0.167 nan 4.556 nan 0.000 0.298 538 H C 1.800 177.279 175.328 0.252 0.000 1.087 538 H CA 2.408 58.503 56.048 0.078 0.000 1.330 538 H CB -0.739 29.062 29.762 0.064 0.000 1.388 538 H HN 0.226 8.460 8.280 -0.077 0.000 0.526 539 M N -1.984 117.534 119.600 -0.136 0.000 2.630 539 M HA -0.094 nan 4.480 nan 0.000 0.254 539 M C 1.692 178.201 176.300 0.348 0.000 1.092 539 M CA -0.400 54.958 55.300 0.098 0.000 1.087 539 M CB -1.520 30.987 32.600 -0.155 0.000 1.453 539 M HN -0.699 7.177 8.290 -0.614 0.047 0.509 540 L N -0.034 121.414 121.223 0.376 0.000 2.043 540 L HA -0.276 nan 4.340 nan 0.000 0.212 540 L C -0.451 176.541 176.870 0.202 0.000 1.075 540 L CA 2.938 57.986 54.840 0.347 0.000 0.752 540 L CB 0.233 42.532 42.059 0.401 0.000 0.891 540 L HN -0.510 7.773 8.230 0.383 0.176 0.432 541 I N -4.625 116.007 120.570 0.103 0.000 2.797 541 I HA 0.201 nan 4.170 nan 0.000 0.307 541 I C -1.985 174.153 176.117 0.035 0.000 1.033 541 I CA -3.557 57.719 61.300 -0.041 0.000 1.071 541 I CB 0.828 38.683 38.000 -0.243 0.000 1.255 541 I HN -0.522 7.794 8.210 0.188 0.008 0.445 542 P HA 0.073 nan 4.420 nan 0.000 0.272 542 P C -1.426 175.891 177.300 0.028 0.000 1.240 542 P CA -0.620 62.478 63.100 -0.003 0.000 0.791 542 P CB 0.640 32.273 31.700 -0.111 0.000 0.978 543 R N 0.282 120.841 120.500 0.098 0.000 2.081 543 R HA -0.290 nan 4.340 nan 0.000 0.235 543 R C 0.692 177.051 176.300 0.098 0.000 1.131 543 R CA 1.121 57.247 56.100 0.043 0.000 0.960 543 R CB 0.584 30.754 30.300 -0.216 0.000 0.856 543 R HN -0.110 8.494 8.270 0.164 -0.236 0.436 544 G N -2.127 106.752 108.800 0.132 0.000 2.593 544 G HA2 -0.357 nan 3.960 nan 0.000 0.237 544 G HA3 -0.357 nan 3.960 nan 0.000 0.237 544 G C -1.007 173.987 174.900 0.156 0.000 1.312 544 G CA -0.322 44.913 45.100 0.225 0.000 0.896 544 G HN -0.666 7.708 8.290 0.140 0.000 0.574 545 S N -0.558 115.244 115.700 0.169 0.000 2.685 545 S HA 0.307 nan 4.470 nan 0.000 0.282 545 S C 0.208 174.926 174.600 0.197 0.000 1.159 545 S CA -1.580 56.712 58.200 0.154 0.000 0.833 545 S CB 2.843 66.096 63.200 0.088 0.000 1.151 545 S HN -0.400 8.019 8.310 0.183 0.000 0.485 546 H N 4.136 123.287 119.070 0.136 0.000 2.421 546 H HA -0.224 nan 4.556 nan 0.000 0.298 546 H C -0.556 174.813 175.328 0.069 0.000 1.087 546 H CA 3.201 59.319 56.048 0.117 0.000 1.330 546 H CB 0.336 30.147 29.762 0.082 0.000 1.388 546 H HN 0.703 9.155 8.280 0.287 0.000 0.526 547 K N -5.587 114.897 120.400 0.139 0.000 2.211 547 K HA -0.183 nan 4.320 nan 0.000 0.203 547 K C 0.163 176.774 176.600 0.018 0.000 1.050 547 K CA 0.304 56.630 56.287 0.065 0.000 0.945 547 K CB -0.148 32.370 32.500 0.030 0.000 0.732 547 K HN -0.221 8.121 8.250 0.171 0.012 0.451 548 G N 0.835 109.656 108.800 0.034 0.000 2.894 548 G HA2 -0.325 nan 3.960 nan 0.000 0.263 548 G HA3 -0.325 nan 3.960 nan 0.000 0.263 548 G C -1.386 173.552 174.900 0.063 0.000 1.013 548 G CA -0.532 44.596 45.100 0.048 0.000 1.226 548 G HN -0.423 7.720 8.290 0.061 0.183 0.563 549 M N 2.107 121.774 119.600 0.112 0.000 2.243 549 M HA -0.046 nan 4.480 nan 0.000 0.341 549 M C -1.496 174.877 176.300 0.121 0.000 1.130 549 M CA 0.544 55.884 55.300 0.066 0.000 1.162 549 M CB 2.194 34.853 32.600 0.098 0.000 1.497 549 M HN 0.079 8.468 8.290 0.165 0.000 0.456 550 E N 3.237 123.453 120.200 0.028 0.000 2.227 550 E HA 0.547 nan 4.350 nan 0.000 0.282 550 E C -0.933 175.549 176.600 -0.198 0.000 1.015 550 E CA -0.185 56.263 56.400 0.081 0.000 0.823 550 E CB 1.323 31.138 29.700 0.192 0.000 1.081 550 E HN 0.225 8.595 8.360 0.017 0.000 0.396 551 F N 3.090 123.076 119.950 0.061 0.000 2.576 551 F HA 0.541 nan 4.527 nan 0.000 0.313 551 F C -1.594 174.232 175.800 0.043 0.000 1.078 551 F CA -1.377 56.642 58.000 0.033 0.000 0.921 551 F CB 4.355 43.368 39.000 0.022 0.000 1.232 551 F HN 0.594 9.074 8.300 0.300 0.000 0.459 552 E N 1.523 121.853 120.200 0.217 0.000 2.313 552 E HA 0.433 nan 4.350 nan 0.000 0.276 552 E C -1.837 174.934 176.600 0.286 0.000 1.031 552 E CA -0.837 55.691 56.400 0.214 0.000 0.857 552 E CB 2.404 32.229 29.700 0.209 0.000 1.040 552 E HN 0.818 9.179 8.360 0.156 0.093 0.408 553 L N 6.905 128.280 121.223 0.255 0.000 2.305 553 L HA 0.639 nan 4.340 nan 0.000 0.284 553 L C -2.269 174.776 176.870 0.291 0.000 1.013 553 L CA -0.793 54.192 54.840 0.243 0.000 0.819 553 L CB 2.349 44.504 42.059 0.159 0.000 1.227 553 L HN 0.404 8.660 8.230 0.212 0.101 0.417 554 F N 9.499 129.566 119.950 0.194 0.000 2.482 554 F HA 0.674 nan 4.527 nan 0.000 0.331 554 F C -2.410 173.475 175.800 0.142 0.000 1.115 554 F CA -1.922 56.193 58.000 0.192 0.000 0.955 554 F CB 3.543 42.708 39.000 0.274 0.000 1.136 554 F HN 0.762 9.325 8.300 0.438 0.000 0.452 555 V N 8.461 128.010 119.914 -0.609 0.000 2.588 555 V HA 0.721 nan 4.120 nan 0.000 0.304 555 V C -2.532 173.140 176.094 -0.704 0.000 1.042 555 V CA -1.438 60.598 62.300 -0.441 0.000 0.877 555 V CB 2.954 34.613 31.823 -0.274 0.000 0.996 555 V HN 0.991 8.694 8.190 -0.812 0.000 0.425 556 M N 5.546 124.929 119.600 -0.363 0.000 2.457 556 M HA 0.855 nan 4.480 nan 0.000 0.300 556 M C -2.647 173.579 176.300 -0.123 0.000 1.141 556 M CA -1.288 53.871 55.300 -0.234 0.000 0.901 556 M CB 4.397 37.017 32.600 0.033 0.000 1.687 556 M HN 0.671 8.854 8.290 -0.177 0.000 0.449 557 L N 5.242 126.402 121.223 -0.104 0.000 2.346 557 L HA 0.690 nan 4.340 nan 0.000 0.276 557 L C -1.707 175.101 176.870 -0.104 0.000 1.006 557 L CA -0.750 54.009 54.840 -0.136 0.000 0.817 557 L CB 1.937 43.900 42.059 -0.160 0.000 1.272 557 L HN 0.435 8.611 8.230 -0.091 0.000 0.421 558 T N 2.247 116.701 114.554 -0.167 0.000 2.916 558 T HA 0.343 nan 4.350 nan 0.000 0.292 558 T C -1.923 172.543 174.700 -0.389 0.000 1.064 558 T CA -1.673 60.336 62.100 -0.152 0.000 1.011 558 T CB 3.251 72.106 68.868 -0.021 0.000 1.152 558 T HN -0.006 8.115 8.240 -0.199 0.000 0.510 559 D N 1.172 121.366 120.400 -0.344 0.000 2.358 559 D HA 0.045 nan 4.640 nan 0.000 0.258 559 D C 0.397 176.661 176.300 -0.060 0.000 1.223 559 D CA -0.541 53.263 54.000 -0.327 0.000 0.886 559 D CB 0.559 41.487 40.800 0.212 0.000 1.120 559 D HN 0.379 8.702 8.370 -0.078 0.000 0.482 560 H N 8.652 127.695 119.070 -0.045 0.000 2.389 560 H HA -0.330 nan 4.556 nan 0.000 0.299 560 H C 1.727 177.081 175.328 0.043 0.000 1.081 560 H CA 4.080 60.178 56.048 0.083 0.000 1.345 560 H CB 0.634 30.615 29.762 0.364 0.000 1.393 560 H HN 0.246 8.572 8.280 0.076 0.000 0.520 561 D N -0.525 119.948 120.400 0.121 0.000 2.123 561 D HA -0.262 nan 4.640 nan 0.000 0.196 561 D C 1.794 178.059 176.300 -0.059 0.000 0.992 561 D CA 3.117 57.138 54.000 0.034 0.000 0.833 561 D CB -0.500 40.365 40.800 0.108 0.000 0.954 561 D HN -0.110 8.682 8.370 0.220 -0.290 0.455 562 E N -0.885 119.297 120.200 -0.031 0.000 2.047 562 E HA -0.221 nan 4.350 nan 0.000 0.191 562 E C 1.269 177.790 176.600 -0.132 0.000 0.987 562 E CA 2.192 58.559 56.400 -0.056 0.000 0.799 562 E CB 0.230 29.915 29.700 -0.025 0.000 0.752 562 E HN -0.479 7.893 8.360 0.024 0.002 0.449 563 D N -2.056 118.229 120.400 -0.192 0.000 2.144 563 D HA -0.138 nan 4.640 nan 0.000 0.199 563 D C 0.256 176.385 176.300 -0.285 0.000 0.984 563 D CA 1.863 55.725 54.000 -0.229 0.000 0.834 563 D CB 0.441 41.108 40.800 -0.221 0.000 0.955 563 D HN -0.467 7.739 8.370 -0.165 0.065 0.465 564 T N -0.969 113.309 114.554 -0.461 0.000 2.899 564 T HA 0.065 nan 4.350 nan 0.000 0.284 564 T C -0.023 174.559 174.700 -0.196 0.000 1.004 564 T CA 0.086 61.964 62.100 -0.371 0.000 1.043 564 T CB 0.853 69.433 68.868 -0.480 0.000 1.013 564 T HN -0.299 7.594 8.240 -0.578 0.000 0.518 565 V N -0.173 119.663 119.914 -0.130 0.000 2.834 565 V HA 0.396 nan 4.120 nan 0.000 0.313 565 V C -1.031 175.021 176.094 -0.070 0.000 1.060 565 V CA -2.908 59.345 62.300 -0.078 0.000 0.989 565 V CB 1.371 33.167 31.823 -0.046 0.000 1.041 565 V HN 0.110 8.222 8.190 -0.131 0.000 0.459 566 A N 2.188 124.978 122.820 -0.050 0.000 2.325 566 A HA 0.572 nan 4.320 nan 0.000 0.333 566 A C -0.631 176.936 177.584 -0.028 0.000 1.155 566 A CA -0.395 51.616 52.037 -0.043 0.000 0.814 566 A CB 1.621 20.599 19.000 -0.037 0.000 1.206 566 A HN 0.371 8.497 8.150 -0.041 0.000 0.482 567 G N -1.066 107.718 108.800 -0.026 0.000 2.322 567 G HA2 0.083 nan 3.960 nan 0.000 0.295 567 G HA3 0.083 nan 3.960 nan 0.000 0.295 567 G C -1.968 172.921 174.900 -0.018 0.000 1.369 567 G CA -0.200 44.891 45.100 -0.015 0.000 0.821 567 G HN -0.123 8.147 8.290 -0.033 0.000 0.536 568 L N 0.836 122.053 121.223 -0.011 0.000 2.377 568 L HA 0.406 nan 4.340 nan 0.000 0.270 568 L C -0.482 176.383 176.870 -0.008 0.000 0.991 568 L CA 0.215 55.048 54.840 -0.012 0.000 0.851 568 L CB 0.993 43.046 42.059 -0.010 0.000 1.218 568 L HN 0.256 8.484 8.230 -0.005 0.000 0.420 569 S N 3.638 119.331 115.700 -0.013 0.000 4.225 569 S HA 0.201 nan 4.470 nan 0.000 0.215 569 S C -1.005 173.587 174.600 -0.013 0.000 1.051 569 S CA -0.907 57.287 58.200 -0.009 0.000 1.729 569 S CB 1.027 64.221 63.200 -0.010 0.000 0.892 569 S HN 0.344 8.642 8.310 -0.019 0.000 0.720 570 E N 1.247 121.437 120.200 -0.016 0.000 2.405 570 E HA 0.179 nan 4.350 nan 0.000 0.249 570 E C -0.863 175.724 176.600 -0.022 0.000 1.028 570 E CA -0.678 55.712 56.400 -0.017 0.000 0.897 570 E CB 1.531 31.221 29.700 -0.016 0.000 1.262 570 E HN 0.143 8.493 8.360 -0.017 0.000 0.442 571 N N -0.894 117.792 118.700 -0.022 0.000 2.235 571 N HA -0.108 nan 4.740 nan 0.000 0.231 571 N C -1.204 174.291 175.510 -0.024 0.000 1.330 571 N CA -0.072 52.964 53.050 -0.024 0.000 0.898 571 N CB 0.449 38.922 38.487 -0.024 0.000 1.151 571 N HN -0.105 8.263 8.380 -0.021 0.000 0.472 572 A N -0.872 121.933 122.820 -0.025 0.000 2.476 572 A HA 0.017 nan 4.320 nan 0.000 0.275 572 A C -1.198 176.373 177.584 -0.022 0.000 1.133 572 A CA 0.401 52.423 52.037 -0.025 0.000 0.797 572 A CB 0.168 19.153 19.000 -0.025 0.000 1.081 572 A HN 0.190 8.325 8.150 -0.025 0.000 0.510 573 V N 3.482 123.383 119.914 -0.021 0.000 3.528 573 V HA 0.292 nan 4.120 nan 0.000 0.301 573 V C -0.854 175.229 176.094 -0.018 0.000 1.332 573 V CA -2.196 60.093 62.300 -0.017 0.000 1.004 573 V CB 3.876 35.688 31.823 -0.019 0.000 1.222 573 V HN -0.007 8.169 8.190 -0.023 0.000 0.478 574 C N 2.604 121.895 119.300 -0.015 0.000 2.551 574 C HA 0.233 nan 4.460 nan 0.000 0.378 574 C C 0.363 175.347 174.990 -0.011 0.000 1.101 574 C CA 0.335 59.342 59.018 -0.018 0.000 1.360 574 C CB -2.812 24.920 27.740 -0.014 0.000 1.895 574 C HN 0.063 8.284 8.230 -0.014 0.000 0.540 575 S N 6.494 122.184 115.700 -0.017 0.000 2.679 575 S HA 0.087 nan 4.470 nan 0.000 0.258 575 S C 1.119 175.712 174.600 -0.011 0.000 1.068 575 S CA 1.096 59.289 58.200 -0.013 0.000 1.115 575 S CB 1.407 64.594 63.200 -0.022 0.000 1.078 575 S HN 0.414 8.682 8.310 -0.025 0.027 0.603 576 D N 3.810 124.199 120.400 -0.020 0.000 2.370 576 D HA -0.349 nan 4.640 nan 0.000 0.190 576 D C -0.448 175.847 176.300 -0.007 0.000 1.019 576 D CA 2.970 56.956 54.000 -0.023 0.000 0.869 576 D CB -0.048 40.726 40.800 -0.043 0.000 0.944 576 D HN 0.366 8.719 8.370 -0.029 0.000 0.456 577 A N -3.274 119.555 122.820 0.016 0.000 2.462 577 A HA 0.224 nan 4.320 nan 0.000 0.261 577 A C 1.186 178.820 177.584 0.084 0.000 1.323 577 A CA -0.524 51.544 52.037 0.051 0.000 0.913 577 A CB -0.298 18.766 19.000 0.107 0.000 1.028 577 A HN -0.182 7.966 8.150 0.015 0.011 0.511 578 V N -2.886 117.054 119.914 0.044 0.000 2.370 578 V HA -0.543 nan 4.120 nan 0.000 0.252 578 V C 1.926 178.095 176.094 0.126 0.000 1.068 578 V CA 3.416 65.743 62.300 0.045 0.000 1.061 578 V CB -1.347 30.434 31.823 -0.070 0.000 0.656 578 V HN -0.198 7.919 8.190 0.015 0.083 0.455 579 S N 2.114 117.853 115.700 0.065 0.000 2.374 579 S HA -0.342 nan 4.470 nan 0.000 0.227 579 S C 2.102 176.942 174.600 0.400 0.000 1.037 579 S CA 3.907 62.176 58.200 0.116 0.000 1.024 579 S CB -0.050 63.047 63.200 -0.172 0.000 0.861 579 S HN -0.456 7.818 8.310 -0.015 0.027 0.456 580 Y N -1.321 119.187 120.300 0.347 0.000 2.558 580 Y HA 0.159 nan 4.550 nan 0.000 0.273 580 Y C 1.552 177.759 175.900 0.511 0.000 1.100 580 Y CA 0.176 58.527 58.100 0.417 0.000 1.276 580 Y CB -0.008 38.651 38.460 0.332 0.000 1.196 580 Y HN -0.720 7.681 8.280 0.233 0.020 0.527 581 C N -3.789 115.870 119.300 0.597 0.000 2.504 581 C HA 0.094 nan 4.460 nan 0.000 0.279 581 C C 0.316 175.558 174.990 0.420 0.000 1.358 581 C CA 1.883 61.201 59.018 0.500 0.000 1.747 581 C CB -0.088 27.878 27.740 0.377 0.000 2.037 581 C HN -0.320 8.200 8.230 0.484 0.000 0.503 582 G N -1.151 107.883 108.800 0.391 0.000 2.660 582 G HA2 -0.316 nan 3.960 nan 0.000 0.215 582 G HA3 -0.316 nan 3.960 nan 0.000 0.215 582 G C -2.393 172.595 174.900 0.147 0.000 1.345 582 G CA -0.589 44.713 45.100 0.337 0.000 0.877 582 G HN -0.348 8.032 8.290 0.365 0.129 0.549 583 A N -0.245 122.627 122.820 0.086 0.000 2.356 583 A HA 0.303 nan 4.320 nan 0.000 0.323 583 A C -0.913 176.680 177.584 0.015 0.000 1.119 583 A CA -1.547 50.504 52.037 0.024 0.000 0.790 583 A CB 2.588 21.578 19.000 -0.017 0.000 1.273 583 A HN 0.221 8.445 8.150 0.123 0.000 0.452 584 R N 2.131 122.626 120.500 -0.008 0.000 2.484 584 R HA -0.284 nan 4.340 nan 0.000 0.293 584 R C -0.157 176.133 176.300 -0.017 0.000 1.023 584 R CA 0.942 57.025 56.100 -0.028 0.000 1.037 584 R CB -0.247 30.035 30.300 -0.031 0.000 0.951 584 R HN 0.356 8.621 8.270 -0.008 0.000 0.418 585 D N 3.947 124.335 120.400 -0.021 0.000 2.701 585 D HA -0.289 nan 4.640 nan 0.000 0.235 585 D C -1.631 174.675 176.300 0.011 0.000 1.155 585 D CA 1.542 55.543 54.000 0.003 0.000 0.649 585 D CB -0.441 40.369 40.800 0.017 0.000 1.050 585 D HN 0.247 8.589 8.370 -0.046 0.000 0.425 586 D N -1.918 118.491 120.400 0.014 0.000 2.570 586 D HA 0.241 nan 4.640 nan 0.000 0.244 586 D C -1.774 174.551 176.300 0.043 0.000 1.178 586 D CA -1.176 52.836 54.000 0.018 0.000 0.881 586 D CB 2.379 43.179 40.800 0.000 0.000 1.453 586 D HN -0.784 7.585 8.370 0.013 0.008 0.447 587 R N 2.873 123.398 120.500 0.042 0.000 2.582 587 R HA 0.013 nan 4.340 nan 0.000 0.271 587 R C -0.767 175.587 176.300 0.090 0.000 1.078 587 R CA -0.194 55.951 56.100 0.075 0.000 1.127 587 R CB 1.095 31.428 30.300 0.055 0.000 1.038 587 R HN 0.391 8.676 8.270 0.026 0.000 0.500 588 Y N 3.901 124.217 120.300 0.026 0.000 2.632 588 Y HA -0.067 nan 4.550 nan 0.000 0.329 588 Y C -1.715 174.186 175.900 0.001 0.000 1.174 588 Y CA -1.570 56.544 58.100 0.025 0.000 1.469 588 Y CB 0.998 39.471 38.460 0.021 0.000 1.242 588 Y HN 0.244 8.680 8.280 0.260 0.000 0.540 589 P HA -0.083 nan 4.420 nan 0.000 0.239 589 P C -1.991 175.186 177.300 -0.205 0.000 1.184 589 P CA 0.774 63.709 63.100 -0.275 0.000 0.760 589 P CB 0.239 31.775 31.700 -0.274 0.000 0.884 590 D N -3.561 116.765 120.400 -0.122 0.000 2.505 590 D HA 0.095 nan 4.640 nan 0.000 0.249 590 D C -0.903 175.458 176.300 0.102 0.000 1.082 590 D CA -1.643 52.368 54.000 0.018 0.000 0.839 590 D CB 2.321 43.187 40.800 0.110 0.000 1.317 590 D HN -0.943 7.340 8.370 -0.031 0.068 0.497 591 K N 3.986 124.374 120.400 -0.021 0.000 2.097 591 K HA -0.219 nan 4.320 nan 0.000 0.205 591 K C 0.995 177.555 176.600 -0.067 0.000 1.050 591 K CA 1.181 57.442 56.287 -0.043 0.000 0.938 591 K CB 0.505 32.950 32.500 -0.092 0.000 0.718 591 K HN 0.275 8.378 8.250 -0.076 0.101 0.442 592 K N -0.913 119.416 120.400 -0.118 0.000 2.380 592 K HA -0.182 nan 4.320 nan 0.000 0.267 592 K C -0.351 176.205 176.600 -0.073 0.000 0.990 592 K CA -0.029 56.129 56.287 -0.214 0.000 0.946 592 K CB 0.325 32.592 32.500 -0.389 0.000 0.937 592 K HN -0.608 7.861 8.250 -0.113 -0.287 0.491 593 A N 1.112 123.904 122.820 -0.046 0.000 2.483 593 A HA 0.111 nan 4.320 nan 0.000 0.238 593 A C 0.362 177.979 177.584 0.055 0.000 1.070 593 A CA 0.292 52.343 52.037 0.023 0.000 0.770 593 A CB 0.456 19.515 19.000 0.099 0.000 1.008 593 A HN 0.211 8.300 8.150 -0.102 0.000 0.497 594 M N 2.624 122.196 119.600 -0.046 0.000 2.246 594 M HA -0.313 nan 4.480 nan 0.000 0.350 594 M C 0.810 177.154 176.300 0.073 0.000 1.406 594 M CA 2.184 57.361 55.300 -0.205 0.000 1.089 594 M CB -0.038 32.176 32.600 -0.644 0.000 1.782 594 M HN -0.215 8.272 8.290 -0.055 -0.230 0.457 595 G N 0.994 109.915 108.800 0.201 0.000 2.176 595 G HA2 -0.319 nan 3.960 nan 0.000 0.232 595 G HA3 -0.319 nan 3.960 nan 0.000 0.232 595 G C -0.721 174.295 174.900 0.192 0.000 0.986 595 G CA -0.427 44.915 45.100 0.402 0.000 0.643 595 G HN 0.293 8.678 8.290 0.158 0.000 0.522 596 F N 3.320 123.283 119.950 0.022 0.000 2.602 596 F HA -0.033 nan 4.527 nan 0.000 0.367 596 F C -2.196 173.426 175.800 -0.296 0.000 1.126 596 F CA -0.963 56.951 58.000 -0.144 0.000 1.321 596 F CB 1.126 40.045 39.000 -0.135 0.000 1.094 596 F HN -0.515 7.914 8.300 0.326 0.067 0.594 597 P HA -0.048 nan 4.420 nan 0.000 0.245 597 P C 0.025 176.645 177.300 -1.133 0.000 1.212 597 P CA 0.983 62.934 63.100 -1.915 0.000 0.774 597 P CB -0.070 30.583 31.700 -1.746 0.000 0.999 598 F N -0.808 118.768 119.950 -0.622 0.000 2.407 598 F HA -0.340 nan 4.527 nan 0.000 0.299 598 F C 0.523 176.236 175.800 -0.146 0.000 1.097 598 F CA 2.881 60.599 58.000 -0.470 0.000 1.422 598 F CB -0.930 37.744 39.000 -0.543 0.000 1.067 598 F HN -0.044 7.639 8.300 -0.891 0.083 0.539 599 D N -2.833 117.642 120.400 0.125 0.000 2.178 599 D HA -0.318 nan 4.640 nan 0.000 0.201 599 D C 0.368 176.761 176.300 0.154 0.000 0.980 599 D CA 2.178 56.298 54.000 0.200 0.000 0.842 599 D CB -0.452 40.492 40.800 0.239 0.000 0.948 599 D HN 0.021 8.385 8.370 0.072 0.049 0.472 600 R N -1.586 119.008 120.500 0.157 0.000 2.691 600 R HA 0.156 nan 4.340 nan 0.000 0.259 600 R C -0.361 175.957 176.300 0.029 0.000 1.048 600 R CA -1.209 54.918 56.100 0.045 0.000 1.086 600 R CB 1.502 31.703 30.300 -0.165 0.000 1.166 600 R HN -0.897 7.531 8.270 0.264 0.000 0.526 601 K N 0.906 121.312 120.400 0.010 0.000 2.436 601 K HA -0.111 nan 4.320 nan 0.000 0.275 601 K C -0.657 175.957 176.600 0.022 0.000 0.999 601 K CA 0.520 56.816 56.287 0.014 0.000 0.980 601 K CB 0.384 32.889 32.500 0.007 0.000 0.919 601 K HN 0.261 8.508 8.250 -0.005 0.000 0.484 602 I N 5.022 125.599 120.570 0.011 0.000 2.362 602 I HA -0.048 nan 4.170 nan 0.000 0.289 602 I C -0.782 175.374 176.117 0.067 0.000 0.994 602 I CA -0.687 60.632 61.300 0.031 0.000 1.158 602 I CB 1.012 38.958 38.000 -0.090 0.000 1.315 602 I HN 0.137 8.350 8.210 0.005 0.000 0.451 603 E N 7.056 127.323 120.200 0.112 0.000 2.106 603 E HA -0.184 nan 4.350 nan 0.000 0.192 603 E C -0.228 176.423 176.600 0.084 0.000 0.984 603 E CA 1.868 58.321 56.400 0.088 0.000 0.806 603 E CB 0.441 30.198 29.700 0.095 0.000 0.750 603 E HN 0.380 8.839 8.360 0.165 0.000 0.458 604 A N -3.028 119.866 122.820 0.122 0.000 2.407 604 A HA 0.047 nan 4.320 nan 0.000 0.248 604 A C 0.641 178.269 177.584 0.074 0.000 1.082 604 A CA 0.297 52.398 52.037 0.107 0.000 0.785 604 A CB 0.549 19.641 19.000 0.154 0.000 1.020 604 A HN -0.410 7.819 8.150 0.176 0.026 0.489 605 R N -0.193 120.340 120.500 0.056 0.000 2.090 605 R HA -0.143 nan 4.340 nan 0.000 0.228 605 R C -0.005 176.317 176.300 0.037 0.000 1.110 605 R CA 1.309 57.431 56.100 0.036 0.000 0.973 605 R CB 0.310 30.626 30.300 0.026 0.000 0.869 605 R HN 0.470 8.774 8.270 0.057 0.000 0.440 606 T N -4.008 110.579 114.554 0.055 0.000 2.908 606 T HA 0.290 nan 4.350 nan 0.000 0.290 606 T C -0.621 174.138 174.700 0.098 0.000 1.034 606 T CA -2.122 60.012 62.100 0.057 0.000 1.010 606 T CB 2.799 71.695 68.868 0.047 0.000 1.068 606 T HN -0.934 7.346 8.240 0.067 0.000 0.481 607 A N 4.934 127.816 122.820 0.103 0.000 1.933 607 A HA -0.167 nan 4.320 nan 0.000 0.218 607 A C 1.605 179.313 177.584 0.206 0.000 1.175 607 A CA 3.101 55.230 52.037 0.155 0.000 0.628 607 A CB -0.186 18.914 19.000 0.167 0.000 0.814 607 A HN 0.427 8.620 8.150 0.072 0.000 0.444 608 A N -2.280 120.633 122.820 0.154 0.000 1.940 608 A HA -0.270 nan 4.320 nan 0.000 0.219 608 A C 2.376 180.045 177.584 0.141 0.000 1.176 608 A CA 2.738 54.863 52.037 0.146 0.000 0.631 608 A CB -0.639 18.418 19.000 0.095 0.000 0.814 608 A HN -0.340 7.859 8.150 0.116 0.021 0.446 609 E N -1.886 118.391 120.200 0.128 0.000 2.153 609 E HA -0.319 nan 4.350 nan 0.000 0.194 609 E C 1.049 177.717 176.600 0.113 0.000 0.988 609 E CA 1.949 58.409 56.400 0.100 0.000 0.811 609 E CB -0.189 29.565 29.700 0.090 0.000 0.746 609 E HN -0.562 7.759 8.360 0.125 0.114 0.466 610 F N -2.737 117.237 119.950 0.039 0.000 2.186 610 F HA -0.226 nan 4.527 nan 0.000 0.299 610 F C -0.287 175.535 175.800 0.036 0.000 1.090 610 F CA 1.416 59.430 58.000 0.024 0.000 1.307 610 F CB 0.622 39.619 39.000 -0.005 0.000 1.019 610 F HN -0.680 7.645 8.300 0.313 0.162 0.489 611 L N -1.004 120.302 121.223 0.138 0.000 2.525 611 L HA -0.128 nan 4.340 nan 0.000 0.278 611 L C 0.389 177.224 176.870 -0.058 0.000 1.218 611 L CA 0.851 55.753 54.840 0.104 0.000 0.878 611 L CB -0.157 41.996 42.059 0.157 0.000 1.127 611 L HN -0.709 7.498 8.230 0.216 0.153 0.492 612 T N -0.339 114.174 114.554 -0.069 0.000 2.910 612 T HA 0.476 nan 4.350 nan 0.000 0.279 612 T C -0.606 174.081 174.700 -0.022 0.000 0.989 612 T CA -3.106 58.950 62.100 -0.073 0.000 0.968 612 T CB 0.476 69.295 68.868 -0.083 0.000 1.135 612 T HN -0.519 7.714 8.240 -0.012 0.000 0.562 613 P HA -0.031 nan 4.420 nan 0.000 0.223 613 P C -0.754 176.547 177.300 0.002 0.000 1.151 613 P CA 1.934 65.031 63.100 -0.005 0.000 0.787 613 P CB 0.137 31.834 31.700 -0.005 0.000 0.788 614 N N -4.036 114.674 118.700 0.017 0.000 2.327 614 N HA 0.017 nan 4.740 nan 0.000 0.231 614 N C -1.595 173.888 175.510 -0.046 0.000 1.130 614 N CA -0.827 52.234 53.050 0.019 0.000 0.845 614 N CB -0.284 38.262 38.487 0.097 0.000 1.073 614 N HN -0.460 7.890 8.380 0.019 0.041 0.496 615 M N -1.147 118.410 119.600 -0.073 0.000 2.619 615 M HA 0.587 nan 4.480 nan 0.000 0.297 615 M C -1.416 174.765 176.300 -0.199 0.000 1.229 615 M CA -0.416 54.765 55.300 -0.198 0.000 0.860 615 M CB 5.273 37.881 32.600 0.013 0.000 1.741 615 M HN -0.694 7.479 8.290 -0.040 0.092 0.462 616 G N -1.018 107.554 108.800 -0.378 0.000 2.742 616 G HA2 0.244 nan 3.960 nan 0.000 0.296 616 G HA3 0.244 nan 3.960 nan 0.000 0.296 616 G C -3.576 171.245 174.900 -0.133 0.000 1.436 616 G CA 0.126 45.126 45.100 -0.167 0.000 0.928 616 G HN 0.469 8.278 8.290 -0.802 0.000 0.520 617 L N 0.167 121.420 121.223 0.051 0.000 2.381 617 L HA 0.755 nan 4.340 nan 0.000 0.274 617 L C -0.880 176.052 176.870 0.103 0.000 0.988 617 L CA -0.611 54.319 54.840 0.150 0.000 0.824 617 L CB 3.030 45.237 42.059 0.247 0.000 1.263 617 L HN 0.053 8.316 8.230 0.056 0.000 0.410 618 T N 5.758 120.377 114.554 0.108 0.000 2.824 618 T HA 0.368 nan 4.350 nan 0.000 0.282 618 T C -1.981 172.783 174.700 0.106 0.000 0.993 618 T CA -1.187 60.966 62.100 0.088 0.000 0.967 618 T CB 2.132 71.046 68.868 0.077 0.000 0.960 618 T HN 0.746 8.953 8.240 0.134 0.114 0.441 619 D N 4.553 125.006 120.400 0.088 0.000 2.249 619 D HA 0.651 nan 4.640 nan 0.000 0.246 619 D C -1.026 175.327 176.300 0.089 0.000 1.114 619 D CA -0.930 53.126 54.000 0.093 0.000 0.854 619 D CB 0.496 41.337 40.800 0.068 0.000 1.132 619 D HN 0.057 8.470 8.370 0.072 0.000 0.461 620 I N -4.505 116.132 120.570 0.111 0.000 3.108 620 I HA 0.748 nan 4.170 nan 0.000 0.312 620 I C -1.878 174.315 176.117 0.126 0.000 1.095 620 I CA -2.569 58.782 61.300 0.085 0.000 1.000 620 I CB 3.830 41.855 38.000 0.042 0.000 1.229 620 I HN 0.394 8.692 8.210 0.147 0.000 0.454 621 K N -0.633 119.821 120.400 0.090 0.000 2.259 621 K HA 0.764 nan 4.320 nan 0.000 0.249 621 K C -1.578 175.080 176.600 0.097 0.000 0.942 621 K CA -2.230 54.132 56.287 0.126 0.000 0.816 621 K CB 3.060 35.605 32.500 0.075 0.000 1.155 621 K HN 0.264 8.539 8.250 0.042 0.000 0.428 622 I N 2.689 123.359 120.570 0.166 0.000 2.389 622 I HA 0.527 nan 4.170 nan 0.000 0.288 622 I C -2.041 174.143 176.117 0.111 0.000 0.999 622 I CA -0.985 60.367 61.300 0.085 0.000 1.129 622 I CB 1.944 39.965 38.000 0.034 0.000 1.288 622 I HN 0.700 9.078 8.210 0.280 0.000 0.444 623 K N 5.126 125.563 120.400 0.062 0.000 2.345 623 K HA 0.611 nan 4.320 nan 0.000 0.255 623 K C -1.774 174.875 176.600 0.082 0.000 0.934 623 K CA -2.343 53.973 56.287 0.049 0.000 0.801 623 K CB 2.769 35.239 32.500 -0.049 0.000 1.137 623 K HN 0.570 8.839 8.250 0.033 0.000 0.424 624 F N 4.897 124.846 119.950 -0.001 0.000 2.375 624 F HA 0.343 nan 4.527 nan 0.000 0.333 624 F C -1.649 174.197 175.800 0.077 0.000 1.104 624 F CA -0.971 57.052 58.000 0.038 0.000 1.149 624 F CB 2.668 41.688 39.000 0.033 0.000 1.190 624 F HN 0.543 8.823 8.300 0.253 0.171 0.533 625 H N 7.104 125.530 119.070 -1.073 0.000 2.481 625 H HA 0.309 nan 4.556 nan 0.000 0.333 625 H C -1.222 173.672 175.328 -0.724 0.000 1.066 625 H CA -1.698 53.987 56.048 -0.605 0.000 1.209 625 H CB 3.250 32.747 29.762 -0.442 0.000 1.445 625 H HN 0.332 7.503 8.280 -1.849 0.000 0.488 626 G N 0.000 108.525 108.800 -0.458 0.000 5.446 626 G HA2 0.000 nan 3.960 nan 0.000 0.244 626 G HA3 0.000 nan 3.960 nan 0.000 0.244 626 G CA 0.000 45.009 45.100 -0.152 0.000 0.502 626 G HN 0.000 8.008 8.290 -0.469 0.000 0.925