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 2i19_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPMQMFMQVY DEIQMFLLEE LELKFDMDPN RVRYLRKMMD TTCLGGKYNR DATA SEQUENCE GLTVIDVAES LLSLSPNNNG EEDDGARRKR VLHDACVCGW MIEFLQAHYL DATA SEQUENCE VEDDIMDNSV TRRGKPCWYR HPDVTVQCAI NDGLLLKSWT HMMAMHFFAD DATA SEQUENCE RPFLQDLLCR FNRVDYTTAV GQLYDVTSMF DSNKLDPDVS QPTTTDFAEF DATA SEQUENCE TLSNYKRIVK YKTAYYTYLL PLVMGLIVSE ALPTVDMGVT EELAMLMGEY DATA SEQUENCE FQVQDDVMDC FTPPERLGKV GTDIQDAKCS WLAVTFLAKA SSAQVAEFKA DATA SEQUENCE NYGSGDSEKV ATVRRLYEEA DLQGDYVAYE AAVAEQVKEL IEKLRLCSPG DATA SEQUENCE FAASVETLWG KTYKRQK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.335 176.300 0.058 0.000 1.140 1 M CA 0.000 55.330 55.300 0.050 0.000 0.988 1 M CB 0.000 32.623 32.600 0.039 0.000 1.302 2 P HA -0.049 nan 4.420 nan 0.000 0.222 2 P C 1.366 178.700 177.300 0.056 0.000 1.147 2 P CA 1.440 64.556 63.100 0.028 0.000 0.790 2 P CB -0.233 31.455 31.700 -0.020 0.000 0.780 3 M N -0.884 118.763 119.600 0.080 0.000 2.510 3 M HA 0.029 4.509 4.480 -0.000 0.000 0.256 3 M C 2.344 178.751 176.300 0.177 0.000 1.132 3 M CA 0.888 56.280 55.300 0.154 0.000 1.105 3 M CB -0.316 32.368 32.600 0.139 0.000 1.375 3 M HN -0.224 nan 8.290 nan 0.000 0.477 4 Q N 0.875 120.751 119.800 0.127 0.000 1.993 4 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 4 Q C 2.056 178.136 176.000 0.133 0.000 0.984 4 Q CA 2.669 58.540 55.803 0.113 0.000 0.837 4 Q CB -0.357 28.431 28.738 0.083 0.000 0.902 4 Q HN 0.717 nan 8.270 nan 0.000 0.423 5 M N -1.072 118.612 119.600 0.141 0.000 2.156 5 M HA -0.040 4.439 4.480 -0.000 0.000 0.264 5 M C 1.848 178.268 176.300 0.200 0.000 1.067 5 M CA 1.428 56.817 55.300 0.148 0.000 1.131 5 M CB -0.522 32.156 32.600 0.130 0.000 1.368 5 M HN 0.233 nan 8.290 nan 0.000 0.416 6 F N 1.959 121.942 119.950 0.056 0.000 2.065 6 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 6 F C 2.172 178.155 175.800 0.304 0.000 1.112 6 F CA 1.911 59.964 58.000 0.088 0.000 1.212 6 F CB -0.350 38.611 39.000 -0.064 0.000 0.975 6 F HN 0.153 nan 8.300 nan 0.000 0.476 7 M N 0.155 119.899 119.600 0.241 0.000 2.319 7 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 7 M C 2.097 178.451 176.300 0.090 0.000 1.068 7 M CA 1.405 56.793 55.300 0.146 0.000 1.118 7 M CB -1.409 31.271 32.600 0.134 0.000 1.395 7 M HN 0.494 nan 8.290 nan 0.000 0.435 8 Q N -0.678 119.176 119.800 0.091 0.000 2.432 8 Q HA 0.009 4.349 4.340 -0.000 0.000 0.205 8 Q C 1.407 177.422 176.000 0.025 0.000 0.945 8 Q CA 0.767 56.606 55.803 0.059 0.000 0.924 8 Q CB -0.158 28.623 28.738 0.072 0.000 1.016 8 Q HN 0.270 nan 8.270 nan 0.000 0.503 9 V N 0.441 120.359 119.914 0.006 0.000 2.719 9 V HA -0.176 3.944 4.120 -0.000 0.000 0.252 9 V C 1.851 177.792 176.094 -0.254 0.000 1.065 9 V CA 1.293 63.530 62.300 -0.106 0.000 1.086 9 V CB -0.793 30.933 31.823 -0.162 0.000 0.700 9 V HN 0.413 nan 8.190 nan 0.000 0.467 10 Y N 1.790 121.804 120.300 -0.477 0.000 2.089 10 Y HA -0.253 4.297 4.550 -0.000 0.000 0.282 10 Y C 2.423 178.034 175.900 -0.482 0.000 1.139 10 Y CA 2.109 59.687 58.100 -0.871 0.000 1.123 10 Y CB -0.331 37.496 38.460 -1.054 0.000 0.980 10 Y HN 0.290 nan 8.280 nan 0.000 0.493 11 D N 0.279 120.575 120.400 -0.174 0.000 2.172 11 D HA -0.237 4.403 4.640 -0.000 0.000 0.196 11 D C 2.012 178.207 176.300 -0.174 0.000 0.999 11 D CA 1.762 55.678 54.000 -0.141 0.000 0.856 11 D CB -0.327 40.459 40.800 -0.024 0.000 0.934 11 D HN 0.608 nan 8.370 nan 0.000 0.453 12 E N 0.085 120.208 120.200 -0.128 0.000 2.017 12 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 12 E C 2.401 178.980 176.600 -0.036 0.000 0.997 12 E CA 0.517 56.902 56.400 -0.026 0.000 0.804 12 E CB -0.058 29.678 29.700 0.061 0.000 0.757 12 E HN 0.188 nan 8.360 nan 0.000 0.448 13 I N 1.023 121.486 120.570 -0.178 0.000 2.163 13 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 13 I C 2.805 178.704 176.117 -0.364 0.000 1.085 13 I CA 1.503 62.678 61.300 -0.207 0.000 1.347 13 I CB -0.259 37.452 38.000 -0.482 0.000 1.044 13 I HN 0.247 nan 8.210 nan 0.000 0.408 14 Q N 0.453 119.913 119.800 -0.566 0.000 2.167 14 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 14 Q C 2.327 178.093 176.000 -0.389 0.000 0.970 14 Q CA 1.462 56.916 55.803 -0.582 0.000 0.855 14 Q CB -0.036 28.304 28.738 -0.663 0.000 0.911 14 Q HN 0.505 nan 8.270 nan 0.000 0.438 15 M N -0.440 119.006 119.600 -0.258 0.000 2.156 15 M HA -0.105 4.374 4.480 -0.000 0.000 0.264 15 M C 1.779 177.979 176.300 -0.166 0.000 1.067 15 M CA 1.226 56.423 55.300 -0.172 0.000 1.131 15 M CB -0.086 32.459 32.600 -0.092 0.000 1.368 15 M HN 0.374 nan 8.290 nan 0.000 0.416 16 F N 1.208 120.983 119.950 -0.292 0.000 2.113 16 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 16 F C 1.691 177.256 175.800 -0.391 0.000 1.103 16 F CA 1.530 59.304 58.000 -0.377 0.000 1.248 16 F CB -0.499 38.150 39.000 -0.584 0.000 0.999 16 F HN 0.056 nan 8.300 nan 0.000 0.475 17 L N 0.020 120.867 121.223 -0.626 0.000 2.012 17 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 17 L C 2.560 179.048 176.870 -0.638 0.000 1.073 17 L CA 1.333 55.701 54.840 -0.787 0.000 0.748 17 L CB -0.897 40.602 42.059 -0.934 0.000 0.891 17 L HN 0.253 nan 8.230 nan 0.000 0.431 18 L N -0.397 120.528 121.223 -0.498 0.000 2.072 18 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 18 L C 2.759 179.471 176.870 -0.262 0.000 1.079 18 L CA 1.319 55.961 54.840 -0.331 0.000 0.752 18 L CB -0.687 41.212 42.059 -0.268 0.000 0.906 18 L HN 0.429 nan 8.230 nan 0.000 0.436 19 E N 1.035 121.070 120.200 -0.275 0.000 2.150 19 E HA -0.292 4.058 4.350 -0.000 0.000 0.193 19 E C 1.821 178.288 176.600 -0.222 0.000 0.985 19 E CA 1.378 57.659 56.400 -0.200 0.000 0.814 19 E CB -0.009 29.598 29.700 -0.155 0.000 0.752 19 E HN 0.558 nan 8.360 nan 0.000 0.466 20 E N 0.272 120.233 120.200 -0.399 0.000 2.274 20 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 20 E C 2.280 178.798 176.600 -0.137 0.000 0.996 20 E CA 0.175 56.366 56.400 -0.350 0.000 0.840 20 E CB 0.085 29.335 29.700 -0.749 0.000 0.772 20 E HN 0.327 nan 8.360 nan 0.000 0.491 21 L N 0.929 122.025 121.223 -0.212 0.000 2.044 21 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 21 L C 2.727 179.621 176.870 0.041 0.000 1.075 21 L CA 1.469 56.233 54.840 -0.127 0.000 0.747 21 L CB -0.343 41.622 42.059 -0.158 0.000 0.903 21 L HN 0.207 nan 8.230 nan 0.000 0.435 22 E N 0.397 120.588 120.200 -0.014 0.000 2.110 22 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 22 E C 2.182 178.797 176.600 0.025 0.000 0.988 22 E CA 1.172 57.577 56.400 0.008 0.000 0.804 22 E CB 0.054 29.742 29.700 -0.020 0.000 0.745 22 E HN 0.486 nan 8.360 nan 0.000 0.458 23 L N -0.112 121.121 121.223 0.016 0.000 2.071 23 L HA -0.023 4.317 4.340 -0.000 0.000 0.201 23 L C 2.483 179.380 176.870 0.046 0.000 1.076 23 L CA 1.073 55.924 54.840 0.018 0.000 0.755 23 L CB -0.124 41.931 42.059 -0.007 0.000 0.915 23 L HN -0.036 nan 8.230 nan 0.000 0.445 24 K N -1.246 119.224 120.400 0.117 0.000 2.374 24 K HA 0.143 4.463 4.320 -0.000 0.000 0.196 24 K C 0.340 176.901 176.600 -0.065 0.000 1.023 24 K CA 0.189 56.502 56.287 0.043 0.000 1.103 24 K CB 0.482 33.022 32.500 0.067 0.000 0.848 24 K HN 0.092 nan 8.250 nan 0.000 0.528 25 F N -0.348 119.583 119.950 -0.032 0.000 2.960 25 F HA 0.119 4.646 4.527 0.000 0.000 0.345 25 F C -0.317 175.476 175.800 -0.012 0.000 1.147 25 F CA -0.518 57.472 58.000 -0.018 0.000 1.099 25 F CB 1.025 40.017 39.000 -0.013 0.000 1.219 25 F HN -0.065 nan 8.300 nan 0.000 0.525 26 D N 1.015 121.491 120.400 0.127 0.000 2.981 26 D HA -0.220 4.420 4.640 -0.000 0.000 0.223 26 D C 0.335 176.678 176.300 0.072 0.000 1.151 26 D CA 0.721 54.763 54.000 0.070 0.000 0.827 26 D CB -1.114 39.713 40.800 0.045 0.000 1.101 26 D HN 0.344 nan 8.370 nan 0.000 0.426 27 M N 1.394 121.045 119.600 0.085 0.000 2.233 27 M HA 0.129 4.609 4.480 -0.000 0.000 0.350 27 M C 0.336 176.658 176.300 0.038 0.000 1.176 27 M CA 0.063 55.399 55.300 0.060 0.000 1.150 27 M CB 0.661 33.292 32.600 0.052 0.000 1.530 27 M HN 0.036 nan 8.290 nan 0.000 0.459 28 D N 4.113 124.533 120.400 0.034 0.000 2.312 28 D HA 0.327 4.967 4.640 -0.000 0.000 0.248 28 D C -2.294 174.023 176.300 0.028 0.000 1.086 28 D CA -1.530 52.486 54.000 0.026 0.000 0.948 28 D CB 0.476 41.290 40.800 0.022 0.000 1.162 28 D HN 0.311 nan 8.370 nan 0.000 0.446 29 P HA -0.177 nan 4.420 nan 0.000 0.217 29 P C 0.765 178.090 177.300 0.041 0.000 1.148 29 P CA 0.952 64.067 63.100 0.025 0.000 0.828 29 P CB 0.058 31.769 31.700 0.019 0.000 0.783 30 N N -0.480 118.245 118.700 0.042 0.000 2.084 30 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 30 N C 1.730 177.293 175.510 0.088 0.000 1.030 30 N CA 1.197 54.280 53.050 0.055 0.000 0.849 30 N CB -0.400 38.108 38.487 0.035 0.000 1.012 30 N HN 0.193 nan 8.380 nan 0.000 0.423 31 R N 0.370 120.915 120.500 0.075 0.000 2.236 31 R HA 0.098 4.438 4.340 -0.000 0.000 0.208 31 R C 2.087 178.480 176.300 0.155 0.000 1.036 31 R CA 0.142 56.310 56.100 0.113 0.000 1.001 31 R CB 0.109 30.447 30.300 0.064 0.000 0.896 31 R HN 0.015 nan 8.270 nan 0.000 0.464 32 V N 0.517 120.488 119.914 0.096 0.000 2.379 32 V HA -0.177 3.942 4.120 -0.000 0.000 0.245 32 V C 2.366 178.504 176.094 0.074 0.000 1.044 32 V CA 1.471 63.810 62.300 0.065 0.000 1.036 32 V CB -0.434 31.398 31.823 0.015 0.000 0.664 32 V HN 0.263 nan 8.190 nan 0.000 0.453 33 R N -0.956 119.596 120.500 0.087 0.000 2.083 33 R HA -0.231 4.109 4.340 -0.000 0.000 0.237 33 R C 2.369 178.751 176.300 0.137 0.000 1.137 33 R CA 2.249 58.402 56.100 0.089 0.000 0.951 33 R CB -0.466 29.888 30.300 0.089 0.000 0.851 33 R HN 0.621 nan 8.270 nan 0.000 0.434 34 Y N 1.070 121.416 120.300 0.076 0.000 2.097 34 Y HA -0.219 4.331 4.550 -0.000 0.000 0.282 34 Y C 1.948 177.931 175.900 0.138 0.000 1.152 34 Y CA 1.820 59.995 58.100 0.125 0.000 1.136 34 Y CB -0.221 38.315 38.460 0.126 0.000 0.975 34 Y HN 0.042 nan 8.280 nan 0.000 0.498 35 L N 0.138 121.499 121.223 0.230 0.000 2.201 35 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 35 L C 2.667 179.560 176.870 0.037 0.000 1.105 35 L CA 1.380 56.332 54.840 0.186 0.000 0.775 35 L CB -0.526 41.722 42.059 0.315 0.000 0.913 35 L HN 0.239 nan 8.230 nan 0.000 0.440 36 R N 0.803 121.293 120.500 -0.017 0.000 2.090 36 R HA -0.169 4.171 4.340 -0.000 0.000 0.228 36 R C 2.191 178.439 176.300 -0.087 0.000 1.110 36 R CA 1.294 57.346 56.100 -0.079 0.000 0.973 36 R CB 0.079 30.342 30.300 -0.062 0.000 0.869 36 R HN 0.117 nan 8.270 nan 0.000 0.440 37 K N 0.215 120.566 120.400 -0.082 0.000 2.097 37 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 37 K C 2.113 178.569 176.600 -0.240 0.000 1.050 37 K CA 1.411 57.645 56.287 -0.088 0.000 0.938 37 K CB -0.077 32.414 32.500 -0.015 0.000 0.718 37 K HN 0.152 nan 8.250 nan 0.000 0.442 38 M N 0.256 119.603 119.600 -0.422 0.000 2.117 38 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 38 M C 2.084 177.997 176.300 -0.645 0.000 1.065 38 M CA 1.642 56.373 55.300 -0.948 0.000 1.114 38 M CB -0.179 31.928 32.600 -0.822 0.000 1.361 38 M HN 0.298 nan 8.290 nan 0.000 0.408 39 M N 0.198 119.636 119.600 -0.270 0.000 2.117 39 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 39 M C 1.090 177.305 176.300 -0.141 0.000 1.065 39 M CA 1.968 57.173 55.300 -0.158 0.000 1.114 39 M CB -0.371 32.158 32.600 -0.119 0.000 1.361 39 M HN 0.174 nan 8.290 nan 0.000 0.408 40 D N -0.166 120.177 120.400 -0.096 0.000 2.097 40 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 40 D C 1.905 178.153 176.300 -0.086 0.000 0.984 40 D CA 1.954 55.926 54.000 -0.046 0.000 0.826 40 D CB -0.587 40.200 40.800 -0.021 0.000 0.973 40 D HN 0.382 nan 8.370 nan 0.000 0.460 41 T N 0.020 114.493 114.554 -0.136 0.000 2.746 41 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 41 T C 2.066 176.714 174.700 -0.088 0.000 1.039 41 T CA 2.099 64.149 62.100 -0.084 0.000 1.142 41 T CB -0.443 68.361 68.868 -0.106 0.000 0.866 41 T HN 0.331 nan 8.240 nan 0.000 0.444 42 T N -1.582 112.835 114.554 -0.227 0.000 3.067 42 T HA 0.063 4.413 4.350 -0.000 0.000 0.257 42 T C 2.035 176.684 174.700 -0.085 0.000 1.105 42 T CA 0.338 62.338 62.100 -0.167 0.000 1.104 42 T CB -0.617 68.061 68.868 -0.317 0.000 0.925 42 T HN 0.406 nan 8.240 nan 0.000 0.498 43 C N 0.549 119.788 119.300 -0.102 0.000 2.820 43 C HA 0.548 5.008 4.460 -0.000 0.000 0.323 43 C C 0.580 175.684 174.990 0.190 0.000 1.279 43 C CA -0.661 58.352 59.018 -0.008 0.000 1.790 43 C CB -0.475 27.138 27.740 -0.212 0.000 2.328 43 C HN 0.496 nan 8.230 nan 0.000 0.579 44 L N 0.430 121.703 121.223 0.083 0.000 2.341 44 L HA 0.713 5.053 4.340 -0.000 0.000 0.278 44 L C 0.870 177.823 176.870 0.138 0.000 1.005 44 L CA 0.446 55.406 54.840 0.199 0.000 0.818 44 L CB 1.413 43.470 42.059 -0.003 0.000 1.259 44 L HN 0.334 nan 8.230 nan 0.000 0.418 45 G N 1.437 110.302 108.800 0.109 0.000 3.511 45 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.218 45 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.218 45 G C 0.372 175.199 174.900 -0.122 0.000 1.001 45 G CA -0.087 45.017 45.100 0.006 0.000 0.877 45 G HN 0.889 nan 8.290 nan 0.000 0.450 46 G N 0.121 108.781 108.800 -0.233 0.000 2.485 46 G HA2 0.482 4.442 3.960 -0.000 0.000 0.260 46 G HA3 0.482 4.442 3.960 -0.000 0.000 0.260 46 G C 0.481 175.008 174.900 -0.621 0.000 1.459 46 G CA 0.232 45.149 45.100 -0.304 0.000 1.060 46 G HN 0.277 nan 8.290 nan 0.000 0.546 47 K N -0.950 119.167 120.400 -0.472 0.000 2.414 47 K HA 0.236 4.556 4.320 -0.000 0.000 0.204 47 K C -0.642 175.772 176.600 -0.311 0.000 1.026 47 K CA -0.365 55.677 56.287 -0.408 0.000 1.108 47 K CB 0.222 32.626 32.500 -0.160 0.000 0.855 47 K HN 0.535 nan 8.250 nan 0.000 0.517 48 Y N -0.639 119.637 120.300 -0.039 0.000 3.721 48 Y HA -0.383 4.167 4.550 -0.000 0.000 0.218 48 Y C 0.836 176.593 175.900 -0.239 0.000 1.188 48 Y CA 0.026 58.042 58.100 -0.140 0.000 1.607 48 Y CB -2.737 35.616 38.460 -0.179 0.000 1.496 48 Y HN 0.356 nan 8.280 nan 0.000 0.626 49 N N 0.574 119.221 118.700 -0.088 0.000 2.223 49 N HA -0.168 4.572 4.740 -0.000 0.000 0.185 49 N C 1.902 177.301 175.510 -0.186 0.000 1.016 49 N CA 1.189 54.159 53.050 -0.133 0.000 0.863 49 N CB -0.035 38.386 38.487 -0.110 0.000 0.983 49 N HN 0.547 nan 8.380 nan 0.000 0.429 50 R N 0.051 120.446 120.500 -0.176 0.000 2.161 50 R HA 0.095 4.434 4.340 -0.000 0.000 0.213 50 R C 2.181 178.396 176.300 -0.142 0.000 1.055 50 R CA 0.952 56.935 56.100 -0.195 0.000 0.996 50 R CB -0.668 29.514 30.300 -0.197 0.000 0.901 50 R HN 0.074 nan 8.270 nan 0.000 0.456 51 G N 2.754 111.463 108.800 -0.150 0.000 2.453 51 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.215 51 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.215 51 G C 1.598 176.175 174.900 -0.538 0.000 1.201 51 G CA 0.588 45.528 45.100 -0.267 0.000 0.784 51 G HN 0.157 nan 8.290 nan 0.000 0.545 52 L N 0.609 121.428 121.223 -0.675 0.000 2.275 52 L HA -0.018 4.322 4.340 -0.000 0.000 0.215 52 L C 3.060 179.756 176.870 -0.290 0.000 1.119 52 L CA 1.139 55.636 54.840 -0.571 0.000 0.790 52 L CB -0.832 40.955 42.059 -0.454 0.000 0.919 52 L HN 0.141 nan 8.230 nan 0.000 0.443 53 T N -0.058 114.365 114.554 -0.218 0.000 2.684 53 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 53 T C 2.098 176.738 174.700 -0.100 0.000 1.036 53 T CA 1.550 63.568 62.100 -0.138 0.000 1.148 53 T CB -0.320 68.470 68.868 -0.130 0.000 0.863 53 T HN 0.073 nan 8.240 nan 0.000 0.436 54 V N 1.688 121.547 119.914 -0.092 0.000 2.317 54 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 54 V C 2.404 178.470 176.094 -0.046 0.000 1.065 54 V CA 1.637 63.911 62.300 -0.043 0.000 1.049 54 V CB -0.720 31.094 31.823 -0.015 0.000 0.651 54 V HN 0.520 nan 8.190 nan 0.000 0.450 55 I N 0.054 120.570 120.570 -0.090 0.000 2.226 55 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 55 I C 2.355 178.444 176.117 -0.047 0.000 1.100 55 I CA 2.171 63.431 61.300 -0.065 0.000 1.374 55 I CB -0.547 37.388 38.000 -0.109 0.000 1.057 55 I HN 0.381 nan 8.210 nan 0.000 0.413 56 D N 0.822 121.182 120.400 -0.067 0.000 2.097 56 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 56 D C 2.167 178.454 176.300 -0.022 0.000 0.989 56 D CA 1.025 54.997 54.000 -0.048 0.000 0.827 56 D CB 0.106 40.867 40.800 -0.065 0.000 0.966 56 D HN 0.025 nan 8.370 nan 0.000 0.456 57 V N 0.375 120.282 119.914 -0.012 0.000 2.594 57 V HA -0.181 3.938 4.120 -0.000 0.000 0.253 57 V C 2.327 178.456 176.094 0.059 0.000 1.069 57 V CA 1.703 64.027 62.300 0.040 0.000 1.082 57 V CB -0.584 31.293 31.823 0.090 0.000 0.680 57 V HN 0.326 nan 8.190 nan 0.000 0.469 58 A N -0.571 122.264 122.820 0.026 0.000 1.975 58 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 58 A C 2.283 179.882 177.584 0.025 0.000 1.170 58 A CA 1.271 53.321 52.037 0.022 0.000 0.656 58 A CB -0.317 18.688 19.000 0.008 0.000 0.821 58 A HN 0.586 nan 8.150 nan 0.000 0.449 59 E N 0.563 120.775 120.200 0.019 0.000 2.106 59 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 59 E C 1.853 178.467 176.600 0.023 0.000 0.984 59 E CA 1.433 57.845 56.400 0.020 0.000 0.806 59 E CB -0.105 29.602 29.700 0.011 0.000 0.750 59 E HN 0.630 nan 8.360 nan 0.000 0.458 60 S N -0.531 115.184 115.700 0.026 0.000 2.603 60 S HA 0.073 4.543 4.470 -0.000 0.000 0.220 60 S C 1.527 176.158 174.600 0.052 0.000 0.967 60 S CA -0.047 58.171 58.200 0.031 0.000 0.920 60 S CB 0.130 63.342 63.200 0.019 0.000 0.773 60 S HN 0.335 nan 8.310 nan 0.000 0.529 61 L N 0.152 121.408 121.223 0.055 0.000 2.817 61 L HA 0.327 4.667 4.340 -0.000 0.000 0.248 61 L C 1.375 178.265 176.870 0.033 0.000 1.133 61 L CA 0.013 54.886 54.840 0.054 0.000 0.935 61 L CB 0.342 42.439 42.059 0.063 0.000 1.266 61 L HN 0.326 nan 8.230 nan 0.000 0.535 62 L N -3.701 117.539 121.223 0.029 0.000 2.375 62 L HA 0.220 4.560 4.340 -0.000 0.000 0.215 62 L C 2.198 179.082 176.870 0.023 0.000 1.108 62 L CA 0.946 55.801 54.840 0.025 0.000 0.830 62 L CB -1.018 41.058 42.059 0.028 0.000 0.959 62 L HN 0.014 nan 8.230 nan 0.000 0.457 63 S N 0.107 115.821 115.700 0.024 0.000 2.354 63 S HA 0.134 4.604 4.470 -0.000 0.000 0.200 63 S C 0.825 175.438 174.600 0.021 0.000 1.055 63 S CA 0.203 58.416 58.200 0.021 0.000 1.077 63 S CB -0.272 62.939 63.200 0.019 0.000 0.992 63 S HN 0.165 nan 8.310 nan 0.000 0.423 64 L N 2.423 123.661 121.223 0.025 0.000 2.349 64 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 64 L C 0.749 177.638 176.870 0.032 0.000 1.115 64 L CA 0.737 55.593 54.840 0.026 0.000 0.820 64 L CB 0.549 42.625 42.059 0.028 0.000 1.135 64 L HN 0.714 nan 8.230 nan 0.000 0.445 65 S N 1.737 117.451 115.700 0.023 0.000 3.631 65 S HA -0.104 4.366 4.470 -0.000 0.000 0.366 65 S C -2.015 172.592 174.600 0.011 0.000 0.993 65 S CA 0.131 58.341 58.200 0.016 0.000 1.167 65 S CB -1.211 62.000 63.200 0.018 0.000 0.909 65 S HN 0.597 nan 8.310 nan 0.000 0.478 66 P HA 0.386 nan 4.420 nan 0.000 0.310 66 P C -0.563 176.742 177.300 0.008 0.000 1.309 66 P CA -0.726 62.381 63.100 0.012 0.000 0.769 66 P CB 0.424 32.134 31.700 0.016 0.000 1.327 67 N N -0.078 118.628 118.700 0.010 0.000 2.442 67 N HA 0.030 4.770 4.740 -0.000 0.000 0.265 67 N C 0.454 175.970 175.510 0.010 0.000 1.138 67 N CA -0.041 53.015 53.050 0.010 0.000 0.956 67 N CB -0.646 37.850 38.487 0.015 0.000 1.067 67 N HN 0.271 nan 8.380 nan 0.000 0.474 68 N N 2.688 121.392 118.700 0.007 0.000 2.270 68 N HA -0.174 4.566 4.740 -0.000 0.000 0.181 68 N C 0.695 176.209 175.510 0.008 0.000 1.016 68 N CA 1.273 54.328 53.050 0.007 0.000 0.870 68 N CB -0.216 38.274 38.487 0.005 0.000 0.979 68 N HN 0.746 nan 8.380 nan 0.000 0.431 69 N N 1.106 119.811 118.700 0.008 0.000 2.272 69 N HA -0.096 4.644 4.740 -0.000 0.000 0.185 69 N C 1.073 176.589 175.510 0.011 0.000 1.014 69 N CA 0.802 53.858 53.050 0.009 0.000 0.870 69 N CB -0.357 38.135 38.487 0.009 0.000 0.975 69 N HN -0.008 nan 8.380 nan 0.000 0.433 70 G N 0.598 109.406 108.800 0.013 0.000 2.358 70 G HA2 0.113 4.073 3.960 -0.000 0.000 0.273 70 G HA3 0.113 4.073 3.960 -0.000 0.000 0.273 70 G C -0.467 174.441 174.900 0.014 0.000 1.215 70 G CA -0.526 44.584 45.100 0.016 0.000 0.910 70 G HN 0.297 nan 8.290 nan 0.000 0.467 71 E N 0.853 121.061 120.200 0.013 0.000 2.831 71 E HA -0.167 4.183 4.350 -0.000 0.000 0.292 71 E C 0.087 176.694 176.600 0.011 0.000 1.039 71 E CA 0.547 56.954 56.400 0.011 0.000 1.018 71 E CB 0.534 30.241 29.700 0.012 0.000 1.074 71 E HN 0.433 nan 8.360 nan 0.000 0.467 72 E N 3.055 123.260 120.200 0.009 0.000 2.037 72 E HA -0.069 4.281 4.350 -0.000 0.000 0.253 72 E C -1.043 175.563 176.600 0.010 0.000 1.265 72 E CA 0.188 56.594 56.400 0.009 0.000 0.972 72 E CB -0.880 28.824 29.700 0.007 0.000 1.054 72 E HN 0.255 nan 8.360 nan 0.000 0.432 73 D N 3.101 123.508 120.400 0.012 0.000 2.982 73 D HA -0.273 4.367 4.640 -0.000 0.000 0.207 73 D C -0.574 175.734 176.300 0.013 0.000 1.258 73 D CA 1.080 55.088 54.000 0.013 0.000 0.758 73 D CB -0.623 40.184 40.800 0.012 0.000 0.886 73 D HN 0.509 nan 8.370 nan 0.000 0.389 74 D N -1.106 119.303 120.400 0.015 0.000 2.686 74 D HA 0.417 5.057 4.640 -0.000 0.000 0.249 74 D C 0.336 176.647 176.300 0.017 0.000 1.260 74 D CA -0.703 53.306 54.000 0.015 0.000 0.910 74 D CB 0.973 41.780 40.800 0.012 0.000 1.323 74 D HN 0.117 nan 8.370 nan 0.000 0.561 75 G N 2.690 111.501 108.800 0.018 0.000 2.305 75 G HA2 0.399 4.359 3.960 -0.000 0.000 0.281 75 G HA3 0.399 4.359 3.960 -0.000 0.000 0.281 75 G C 0.619 175.532 174.900 0.022 0.000 1.085 75 G CA 0.388 45.501 45.100 0.022 0.000 1.211 75 G HN 0.848 nan 8.290 nan 0.000 0.421 76 A N 2.404 125.240 122.820 0.025 0.000 1.790 76 A HA 0.169 4.489 4.320 -0.000 0.000 0.174 76 A C 1.840 179.444 177.584 0.033 0.000 2.050 76 A CA 0.692 52.744 52.037 0.025 0.000 1.622 76 A CB -0.275 18.736 19.000 0.018 0.000 1.619 76 A HN 0.516 nan 8.150 nan 0.000 0.280 77 R N 1.525 122.047 120.500 0.035 0.000 2.115 77 R HA 0.036 4.376 4.340 -0.000 0.000 0.226 77 R C 2.167 178.499 176.300 0.055 0.000 1.100 77 R CA 1.987 58.114 56.100 0.045 0.000 0.980 77 R CB -0.533 29.790 30.300 0.039 0.000 0.875 77 R HN 0.635 nan 8.270 nan 0.000 0.445 78 R N 0.074 120.602 120.500 0.048 0.000 2.066 78 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 78 R C 1.471 177.811 176.300 0.066 0.000 1.131 78 R CA 1.723 57.854 56.100 0.051 0.000 0.955 78 R CB -0.228 30.097 30.300 0.041 0.000 0.851 78 R HN -0.035 nan 8.270 nan 0.000 0.432 79 K N 0.132 120.570 120.400 0.064 0.000 2.362 79 K HA 0.007 4.327 4.320 -0.000 0.000 0.200 79 K C 2.199 178.866 176.600 0.111 0.000 1.046 79 K CA 0.822 57.157 56.287 0.081 0.000 0.952 79 K CB -0.020 32.516 32.500 0.061 0.000 0.753 79 K HN 0.159 nan 8.250 nan 0.000 0.466 80 R N -0.040 120.519 120.500 0.098 0.000 2.055 80 R HA -0.034 4.306 4.340 -0.000 0.000 0.226 80 R C 1.903 178.307 176.300 0.173 0.000 1.135 80 R CA 1.161 57.336 56.100 0.124 0.000 0.959 80 R CB -0.268 30.087 30.300 0.093 0.000 0.854 80 R HN -0.014 nan 8.270 nan 0.000 0.431 81 V N 2.239 122.232 119.914 0.133 0.000 2.231 81 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 81 V C 2.552 178.720 176.094 0.122 0.000 1.054 81 V CA 1.963 64.335 62.300 0.120 0.000 1.015 81 V CB -0.623 31.245 31.823 0.074 0.000 0.638 81 V HN 0.346 nan 8.190 nan 0.000 0.444 82 L N -0.590 120.698 121.223 0.109 0.000 2.021 82 L HA -0.304 4.036 4.340 -0.000 0.000 0.215 82 L C 2.579 179.530 176.870 0.135 0.000 1.074 82 L CA 2.533 57.434 54.840 0.103 0.000 0.760 82 L CB -0.964 41.151 42.059 0.093 0.000 0.889 82 L HN 0.496 nan 8.230 nan 0.000 0.433 83 H N 0.117 119.236 119.070 0.082 0.000 2.353 83 H HA -0.181 4.375 4.556 -0.000 0.000 0.300 83 H C 1.915 177.300 175.328 0.094 0.000 1.090 83 H CA 1.964 58.053 56.048 0.068 0.000 1.327 83 H CB 0.089 29.882 29.762 0.051 0.000 1.383 83 H HN 0.242 nan 8.280 nan 0.000 0.508 84 D N 0.159 120.731 120.400 0.287 0.000 2.133 84 D HA -0.171 4.469 4.640 -0.000 0.000 0.195 84 D C 2.204 178.639 176.300 0.226 0.000 0.997 84 D CA 1.416 55.647 54.000 0.385 0.000 0.840 84 D CB -0.671 40.354 40.800 0.375 0.000 0.947 84 D HN 0.571 nan 8.370 nan 0.000 0.452 85 A N 0.086 122.975 122.820 0.115 0.000 1.972 85 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 85 A C 2.490 180.131 177.584 0.095 0.000 1.169 85 A CA 1.239 53.318 52.037 0.070 0.000 0.635 85 A CB -0.815 18.208 19.000 0.037 0.000 0.810 85 A HN 0.360 nan 8.150 nan 0.000 0.446 86 C N -1.396 117.950 119.300 0.078 0.000 2.446 86 C HA -0.033 4.427 4.460 -0.000 0.000 0.277 86 C C 2.713 177.756 174.990 0.089 0.000 1.275 86 C CA 0.908 60.005 59.018 0.131 0.000 1.727 86 C CB -1.189 26.563 27.740 0.021 0.000 2.010 86 C HN 0.465 nan 8.230 nan 0.000 0.486 87 V N 0.143 120.022 119.914 -0.058 0.000 2.287 87 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 87 V C 2.499 178.692 176.094 0.164 0.000 1.053 87 V CA 2.269 64.514 62.300 -0.092 0.000 1.027 87 V CB -0.984 30.620 31.823 -0.366 0.000 0.646 87 V HN 0.675 nan 8.190 nan 0.000 0.447 88 C N 0.784 120.253 119.300 0.282 0.000 2.429 88 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 88 C C 2.954 178.087 174.990 0.239 0.000 1.262 88 C CA 0.823 60.000 59.018 0.265 0.000 1.733 88 C CB -1.709 26.128 27.740 0.163 0.000 2.010 88 C HN 0.699 nan 8.230 nan 0.000 0.483 89 G N -0.989 107.933 108.800 0.203 0.000 2.446 89 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 89 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 89 G C 1.399 176.440 174.900 0.235 0.000 1.168 89 G CA 0.612 45.826 45.100 0.190 0.000 0.771 89 G HN 0.690 nan 8.290 nan 0.000 0.551 90 W N 0.297 121.768 121.300 0.285 0.000 2.467 90 W HA 0.192 4.852 4.660 -0.000 0.000 0.275 90 W C 2.867 179.563 176.519 0.295 0.000 1.239 90 W CA 0.115 57.605 57.345 0.242 0.000 1.266 90 W CB -0.057 29.392 29.460 -0.019 0.000 1.112 90 W HN 0.120 nan 8.180 nan 0.000 0.576 91 M N -0.255 119.581 119.600 0.393 0.000 2.117 91 M HA -0.235 4.245 4.480 -0.000 0.000 0.262 91 M C 1.844 178.491 176.300 0.579 0.000 1.065 91 M CA 1.765 57.283 55.300 0.364 0.000 1.114 91 M CB -0.630 32.075 32.600 0.176 0.000 1.361 91 M HN -0.007 nan 8.290 nan 0.000 0.408 92 I N -0.471 120.410 120.570 0.519 0.000 2.394 92 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 92 I C 2.229 178.631 176.117 0.476 0.000 1.136 92 I CA 0.969 62.563 61.300 0.489 0.000 1.425 92 I CB -0.592 37.614 38.000 0.342 0.000 1.079 92 I HN 0.294 nan 8.210 nan 0.000 0.425 93 E N 0.643 121.146 120.200 0.506 0.000 2.107 93 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 93 E C 2.143 179.065 176.600 0.538 0.000 0.982 93 E CA 1.155 57.864 56.400 0.516 0.000 0.809 93 E CB -0.184 29.853 29.700 0.562 0.000 0.756 93 E HN 0.411 nan 8.360 nan 0.000 0.459 94 F N 0.908 121.117 119.950 0.432 0.000 2.186 94 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 94 F C 2.309 178.282 175.800 0.289 0.000 1.090 94 F CA 0.609 58.818 58.000 0.349 0.000 1.307 94 F CB -0.368 38.828 39.000 0.326 0.000 1.019 94 F HN 0.023 nan 8.300 nan 0.000 0.489 95 L N 0.177 121.697 121.223 0.496 0.000 2.056 95 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 95 L C 2.430 179.501 176.870 0.334 0.000 1.078 95 L CA 1.814 56.867 54.840 0.355 0.000 0.749 95 L CB -0.975 41.289 42.059 0.341 0.000 0.901 95 L HN 0.261 nan 8.230 nan 0.000 0.433 96 Q N -0.617 119.381 119.800 0.330 0.000 2.084 96 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 96 Q C 2.120 178.257 176.000 0.229 0.000 0.978 96 Q CA 1.838 57.801 55.803 0.266 0.000 0.844 96 Q CB -0.284 28.693 28.738 0.398 0.000 0.898 96 Q HN 0.606 nan 8.270 nan 0.000 0.426 97 A N 0.919 123.865 122.820 0.210 0.000 1.978 97 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 97 A C 2.046 179.677 177.584 0.079 0.000 1.170 97 A CA 1.639 53.741 52.037 0.107 0.000 0.636 97 A CB -1.156 17.845 19.000 0.002 0.000 0.810 97 A HN 0.737 nan 8.150 nan 0.000 0.448 98 H N -2.045 117.026 119.070 0.002 0.000 2.290 98 H HA -0.203 4.353 4.556 -0.000 0.000 0.298 98 H C 1.812 177.074 175.328 -0.110 0.000 1.087 98 H CA 2.326 58.313 56.048 -0.101 0.000 1.291 98 H CB -0.221 29.428 29.762 -0.189 0.000 1.369 98 H HN 0.540 nan 8.280 nan 0.000 0.492 99 Y N 0.723 120.946 120.300 -0.129 0.000 2.373 99 Y HA -0.059 4.491 4.550 -0.000 0.000 0.293 99 Y C 2.854 178.676 175.900 -0.130 0.000 1.129 99 Y CA 0.614 58.577 58.100 -0.229 0.000 1.226 99 Y CB -0.038 38.324 38.460 -0.163 0.000 1.000 99 Y HN 0.152 nan 8.280 nan 0.000 0.549 100 L N -1.719 119.561 121.223 0.096 0.000 2.109 100 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 100 L C 2.216 179.132 176.870 0.078 0.000 1.086 100 L CA 0.582 55.482 54.840 0.100 0.000 0.760 100 L CB -0.827 41.309 42.059 0.128 0.000 0.910 100 L HN 0.036 nan 8.230 nan 0.000 0.437 101 V N 0.083 120.022 119.914 0.042 0.000 2.255 101 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 101 V C 2.588 178.693 176.094 0.019 0.000 1.051 101 V CA 1.830 64.177 62.300 0.078 0.000 1.018 101 V CB -0.481 31.369 31.823 0.046 0.000 0.641 101 V HN 0.462 nan 8.190 nan 0.000 0.445 102 E N -0.093 120.051 120.200 -0.093 0.000 2.106 102 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 102 E C 1.950 178.509 176.600 -0.068 0.000 0.984 102 E CA 1.595 57.927 56.400 -0.114 0.000 0.806 102 E CB -0.421 29.153 29.700 -0.210 0.000 0.750 102 E HN 0.785 nan 8.360 nan 0.000 0.458 103 D N 1.028 121.419 120.400 -0.014 0.000 2.117 103 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 103 D C 1.410 177.716 176.300 0.009 0.000 0.982 103 D CA 1.241 55.253 54.000 0.021 0.000 0.828 103 D CB 0.127 40.968 40.800 0.068 0.000 0.967 103 D HN -0.077 nan 8.370 nan 0.000 0.464 104 D N -0.145 120.280 120.400 0.041 0.000 2.144 104 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 104 D C 2.204 178.429 176.300 -0.126 0.000 0.984 104 D CA 0.683 54.737 54.000 0.090 0.000 0.834 104 D CB -0.147 40.811 40.800 0.264 0.000 0.955 104 D HN 0.425 nan 8.370 nan 0.000 0.465 105 I N 0.250 120.582 120.570 -0.398 0.000 2.163 105 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 105 I C 2.511 178.408 176.117 -0.368 0.000 1.081 105 I CA 0.808 61.622 61.300 -0.810 0.000 1.353 105 I CB -0.294 37.355 38.000 -0.585 0.000 1.054 105 I HN -0.059 nan 8.210 nan 0.000 0.407 106 M N 0.537 120.030 119.600 -0.179 0.000 2.065 106 M HA -0.242 4.238 4.480 -0.000 0.000 0.259 106 M C 1.568 177.842 176.300 -0.043 0.000 1.069 106 M CA 1.855 57.107 55.300 -0.079 0.000 1.110 106 M CB -0.563 32.021 32.600 -0.027 0.000 1.328 106 M HN 0.158 nan 8.290 nan 0.000 0.405 107 D N -0.301 120.085 120.400 -0.023 0.000 2.347 107 D HA -0.051 4.589 4.640 -0.000 0.000 0.215 107 D C 0.276 176.592 176.300 0.028 0.000 0.976 107 D CA 0.542 54.553 54.000 0.017 0.000 0.884 107 D CB -0.466 40.358 40.800 0.042 0.000 0.915 107 D HN 0.308 nan 8.370 nan 0.000 0.526 108 N N 0.094 118.795 118.700 0.001 0.000 2.758 108 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 108 N C -1.007 174.620 175.510 0.195 0.000 1.076 108 N CA 0.362 53.465 53.050 0.088 0.000 0.696 108 N CB -1.338 37.195 38.487 0.077 0.000 0.979 108 N HN -0.095 nan 8.380 nan 0.000 0.550 109 S N -1.188 114.646 115.700 0.223 0.000 2.608 109 S HA 0.357 4.827 4.470 -0.000 0.000 0.261 109 S C 1.547 176.279 174.600 0.220 0.000 1.314 109 S CA -0.187 58.131 58.200 0.196 0.000 0.992 109 S CB 1.759 65.059 63.200 0.167 0.000 0.935 109 S HN 0.168 nan 8.310 nan 0.000 0.564 110 V N 0.107 120.080 119.914 0.099 0.000 3.048 110 V HA 0.201 4.320 4.120 -0.000 0.000 0.241 110 V C 0.772 176.865 176.094 -0.001 0.000 1.129 110 V CA 0.773 63.081 62.300 0.014 0.000 1.128 110 V CB 0.497 32.317 31.823 -0.005 0.000 0.849 110 V HN 0.778 nan 8.190 nan 0.000 0.475 111 T N 0.271 114.846 114.554 0.034 0.000 2.903 111 T HA 0.621 4.970 4.350 -0.000 0.000 0.299 111 T C -1.025 173.717 174.700 0.069 0.000 1.093 111 T CA -0.444 61.675 62.100 0.033 0.000 1.002 111 T CB 2.731 71.603 68.868 0.007 0.000 1.127 111 T HN 0.226 nan 8.240 nan 0.000 0.488 112 R N 1.124 121.674 120.500 0.083 0.000 2.651 112 R HA 0.515 4.855 4.340 -0.000 0.000 0.278 112 R C -0.478 175.871 176.300 0.081 0.000 1.010 112 R CA -0.680 55.477 56.100 0.095 0.000 0.896 112 R CB 0.878 31.257 30.300 0.132 0.000 1.211 112 R HN 0.751 nan 8.270 nan 0.000 0.456 113 R N 2.000 122.539 120.500 0.064 0.000 3.301 113 R HA -0.213 4.127 4.340 -0.000 0.000 0.249 113 R C 0.263 176.587 176.300 0.040 0.000 0.964 113 R CA 0.987 57.115 56.100 0.047 0.000 0.653 113 R CB -1.702 28.629 30.300 0.052 0.000 1.043 113 R HN 1.095 nan 8.270 nan 0.000 0.454 114 G N -0.034 108.785 108.800 0.031 0.000 2.295 114 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.287 114 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.287 114 G C -0.185 174.727 174.900 0.020 0.000 1.055 114 G CA 0.866 45.977 45.100 0.020 0.000 0.922 114 G HN 0.467 nan 8.290 nan 0.000 0.503 115 K N -0.775 119.639 120.400 0.023 0.000 2.625 115 K HA 0.566 4.886 4.320 -0.000 0.000 0.284 115 K C -2.772 173.821 176.600 -0.011 0.000 0.984 115 K CA -1.582 54.710 56.287 0.009 0.000 0.865 115 K CB 1.931 34.468 32.500 0.061 0.000 1.468 115 K HN -0.109 nan 8.250 nan 0.000 0.407 116 P HA 0.013 nan 4.420 nan 0.000 0.262 116 P C -0.270 177.040 177.300 0.017 0.000 1.182 116 P CA -0.081 62.914 63.100 -0.175 0.000 0.761 116 P CB -0.011 31.409 31.700 -0.466 0.000 0.795 117 C N 3.880 123.219 119.300 0.065 0.000 2.665 117 C HA -0.051 4.409 4.460 -0.000 0.000 0.416 117 C C 2.287 177.515 174.990 0.396 0.000 1.305 117 C CA -0.470 58.691 59.018 0.239 0.000 1.903 117 C CB -1.037 26.871 27.740 0.280 0.000 2.704 117 C HN 0.771 nan 8.230 nan 0.000 0.629 118 W N 1.888 123.348 121.300 0.268 0.000 2.290 118 W HA -0.285 4.375 4.660 -0.000 0.000 0.328 118 W C 2.207 178.855 176.519 0.215 0.000 1.272 118 W CA 2.419 59.852 57.345 0.147 0.000 1.262 118 W CB -0.660 28.816 29.460 0.027 0.000 1.151 118 W HN 0.971 nan 8.180 nan 0.000 0.473 119 Y N 1.136 121.490 120.300 0.089 0.000 2.569 119 Y HA -0.016 4.534 4.550 -0.000 0.000 0.293 119 Y C 1.993 177.868 175.900 -0.041 0.000 1.144 119 Y CA 1.315 59.387 58.100 -0.046 0.000 1.321 119 Y CB -1.073 37.414 38.460 0.046 0.000 0.982 119 Y HN -0.216 nan 8.280 nan 0.000 0.558 120 R N 0.527 120.674 120.500 -0.589 0.000 2.297 120 R HA 0.095 4.435 4.340 -0.000 0.000 0.197 120 R C -0.138 175.997 176.300 -0.275 0.000 0.943 120 R CA 0.169 55.947 56.100 -0.537 0.000 1.038 120 R CB -0.629 29.385 30.300 -0.476 0.000 0.957 120 R HN 0.547 nan 8.270 nan 0.000 0.484 121 H N 0.486 119.349 119.070 -0.345 0.000 2.615 121 H HA 0.056 4.612 4.556 -0.000 0.000 0.363 121 H C -1.402 173.775 175.328 -0.252 0.000 1.148 121 H CA -1.600 54.274 56.048 -0.289 0.000 1.401 121 H CB 1.162 30.685 29.762 -0.397 0.000 1.461 121 H HN -0.202 nan 8.280 nan 0.000 0.588 122 P HA -0.186 nan 4.420 nan 0.000 0.215 122 P C 0.977 178.247 177.300 -0.050 0.000 1.163 122 P CA 1.468 64.532 63.100 -0.061 0.000 0.894 122 P CB 0.254 31.933 31.700 -0.036 0.000 0.791 123 D N -0.737 119.642 120.400 -0.034 0.000 2.427 123 D HA 0.066 4.706 4.640 -0.000 0.000 0.224 123 D C -0.603 175.679 176.300 -0.029 0.000 1.157 123 D CA 0.063 54.058 54.000 -0.009 0.000 0.828 123 D CB 0.272 41.104 40.800 0.053 0.000 0.974 123 D HN -0.075 nan 8.370 nan 0.000 0.498 124 V N 0.803 120.628 119.914 -0.149 0.000 2.370 124 V HA 0.244 4.364 4.120 -0.000 0.000 0.283 124 V C 0.684 176.698 176.094 -0.133 0.000 1.023 124 V CA -0.630 61.527 62.300 -0.239 0.000 0.857 124 V CB 1.506 32.872 31.823 -0.762 0.000 0.985 124 V HN -0.067 nan 8.190 nan 0.000 0.443 125 T N 3.122 117.645 114.554 -0.051 0.000 2.934 125 T HA 0.349 4.699 4.350 -0.000 0.000 0.283 125 T C 1.146 175.868 174.700 0.035 0.000 1.005 125 T CA -0.357 61.737 62.100 -0.011 0.000 1.041 125 T CB 1.690 70.552 68.868 -0.009 0.000 1.042 125 T HN 0.358 nan 8.240 nan 0.000 0.505 126 V N 3.649 123.605 119.914 0.069 0.000 2.490 126 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 126 V C 2.466 178.604 176.094 0.074 0.000 1.061 126 V CA 2.064 64.431 62.300 0.112 0.000 1.064 126 V CB -0.788 31.104 31.823 0.115 0.000 0.670 126 V HN 0.893 nan 8.190 nan 0.000 0.461 127 Q N -1.136 118.693 119.800 0.050 0.000 2.172 127 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 127 Q C 2.300 178.333 176.000 0.055 0.000 0.964 127 Q CA 1.785 57.612 55.803 0.040 0.000 0.855 127 Q CB -0.814 27.938 28.738 0.023 0.000 0.918 127 Q HN 0.567 nan 8.270 nan 0.000 0.444 128 C N 0.770 120.110 119.300 0.067 0.000 2.486 128 C HA 0.173 4.633 4.460 -0.000 0.000 0.279 128 C C 2.916 178.026 174.990 0.199 0.000 1.302 128 C CA 0.829 59.911 59.018 0.107 0.000 1.720 128 C CB -1.094 26.700 27.740 0.090 0.000 2.030 128 C HN 0.679 nan 8.230 nan 0.000 0.490 129 A N 0.571 123.515 122.820 0.207 0.000 1.917 129 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 129 A C 2.032 179.757 177.584 0.235 0.000 1.182 129 A CA 2.100 54.330 52.037 0.322 0.000 0.633 129 A CB -0.728 18.430 19.000 0.264 0.000 0.819 129 A HN 0.669 nan 8.150 nan 0.000 0.448 130 I N -0.579 120.067 120.570 0.127 0.000 2.179 130 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 130 I C 2.451 178.600 176.117 0.053 0.000 1.088 130 I CA 1.846 63.183 61.300 0.061 0.000 1.357 130 I CB -0.426 37.592 38.000 0.030 0.000 1.051 130 I HN 0.448 nan 8.210 nan 0.000 0.409 131 N N 0.878 119.617 118.700 0.064 0.000 2.216 131 N HA -0.188 4.552 4.740 -0.000 0.000 0.183 131 N C 1.461 176.982 175.510 0.019 0.000 1.017 131 N CA 1.332 54.403 53.050 0.035 0.000 0.861 131 N CB -0.029 38.479 38.487 0.035 0.000 0.986 131 N HN 0.150 nan 8.380 nan 0.000 0.428 132 D N -0.412 120.044 120.400 0.093 0.000 2.133 132 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 132 D C 1.853 178.110 176.300 -0.072 0.000 0.997 132 D CA 1.445 55.475 54.000 0.049 0.000 0.840 132 D CB -0.927 40.030 40.800 0.261 0.000 0.947 132 D HN 0.461 nan 8.370 nan 0.000 0.452 133 G N 1.009 109.813 108.800 0.008 0.000 2.491 133 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 133 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 133 G C 1.807 176.778 174.900 0.119 0.000 1.180 133 G CA 0.656 45.761 45.100 0.009 0.000 0.774 133 G HN 0.286 nan 8.290 nan 0.000 0.562 134 L N -0.151 121.104 121.223 0.053 0.000 2.079 134 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 134 L C 2.941 179.706 176.870 -0.175 0.000 1.081 134 L CA 0.578 55.418 54.840 0.000 0.000 0.752 134 L CB -0.462 41.587 42.059 -0.016 0.000 0.896 134 L HN 0.193 nan 8.230 nan 0.000 0.433 135 L N -0.597 120.440 121.223 -0.310 0.000 2.046 135 L HA -0.233 4.106 4.340 -0.000 0.000 0.208 135 L C 2.570 178.931 176.870 -0.848 0.000 1.077 135 L CA 1.081 55.510 54.840 -0.684 0.000 0.747 135 L CB -0.397 41.144 42.059 -0.863 0.000 0.896 135 L HN 0.237 nan 8.230 nan 0.000 0.432 136 L N -0.137 120.794 121.223 -0.487 0.000 2.021 136 L HA -0.327 4.013 4.340 -0.000 0.000 0.215 136 L C 2.743 179.635 176.870 0.037 0.000 1.074 136 L CA 1.663 56.468 54.840 -0.058 0.000 0.760 136 L CB -0.496 41.580 42.059 0.029 0.000 0.889 136 L HN 0.282 nan 8.230 nan 0.000 0.433 137 K N -0.749 119.519 120.400 -0.220 0.000 2.116 137 K HA -0.101 4.219 4.320 -0.000 0.000 0.203 137 K C 2.289 178.667 176.600 -0.369 0.000 1.052 137 K CA 1.189 57.247 56.287 -0.381 0.000 0.952 137 K CB 0.131 32.118 32.500 -0.855 0.000 0.729 137 K HN 0.129 nan 8.250 nan 0.000 0.446 138 S N 0.483 116.032 115.700 -0.251 0.000 2.370 138 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 138 S C 1.375 175.976 174.600 0.001 0.000 1.033 138 S CA 1.203 59.345 58.200 -0.096 0.000 1.011 138 S CB -0.283 62.850 63.200 -0.111 0.000 0.852 138 S HN 0.427 nan 8.310 nan 0.000 0.457 139 W N 2.149 123.413 121.300 -0.059 0.000 2.350 139 W HA -0.111 4.549 4.660 -0.000 0.000 0.289 139 W C 2.828 179.245 176.519 -0.170 0.000 1.215 139 W CA 1.511 58.806 57.345 -0.084 0.000 1.236 139 W CB -1.860 27.610 29.460 0.017 0.000 1.130 139 W HN 0.520 nan 8.180 nan 0.000 0.541 140 T N -2.920 111.663 114.554 0.048 0.000 2.746 140 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 140 T C 1.496 176.147 174.700 -0.082 0.000 1.039 140 T CA 1.935 64.002 62.100 -0.056 0.000 1.142 140 T CB -0.870 68.020 68.868 0.037 0.000 0.866 140 T HN 0.335 nan 8.240 nan 0.000 0.444 141 H N 0.731 119.848 119.070 0.078 0.000 2.395 141 H HA 0.141 4.697 4.556 0.000 0.000 0.299 141 H C 2.431 177.809 175.328 0.083 0.000 1.070 141 H CA 1.227 57.312 56.048 0.062 0.000 1.356 141 H CB -0.141 29.671 29.762 0.083 0.000 1.401 141 H HN 0.228 nan 8.280 nan 0.000 0.524 142 M N 0.704 120.437 119.600 0.223 0.000 2.200 142 M HA -0.072 4.407 4.480 -0.000 0.000 0.265 142 M C 2.423 178.830 176.300 0.179 0.000 1.066 142 M CA 1.222 56.655 55.300 0.222 0.000 1.127 142 M CB -0.761 31.987 32.600 0.246 0.000 1.379 142 M HN 0.503 nan 8.290 nan 0.000 0.420 143 M N -0.695 118.959 119.600 0.090 0.000 2.200 143 M HA 0.107 4.587 4.480 -0.000 0.000 0.265 143 M C 2.160 178.491 176.300 0.051 0.000 1.066 143 M CA 1.797 57.148 55.300 0.085 0.000 1.127 143 M CB -0.814 31.767 32.600 -0.032 0.000 1.379 143 M HN 0.070 nan 8.290 nan 0.000 0.420 144 A N 0.709 123.530 122.820 0.002 0.000 1.930 144 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 144 A C 2.139 179.748 177.584 0.041 0.000 1.175 144 A CA 1.717 53.752 52.037 -0.002 0.000 0.627 144 A CB -0.589 18.509 19.000 0.164 0.000 0.815 144 A HN 0.558 nan 8.150 nan 0.000 0.443 145 M N -0.982 118.659 119.600 0.068 0.000 2.175 145 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 145 M C 1.910 178.180 176.300 -0.049 0.000 1.063 145 M CA 1.645 56.979 55.300 0.056 0.000 1.119 145 M CB -0.826 31.829 32.600 0.093 0.000 1.377 145 M HN 0.682 nan 8.290 nan 0.000 0.415 146 H N -1.330 117.572 119.070 -0.280 0.000 2.363 146 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 146 H C 1.389 176.298 175.328 -0.699 0.000 1.074 146 H CA 1.843 57.508 56.048 -0.638 0.000 1.354 146 H CB -0.000 29.023 29.762 -1.231 0.000 1.397 146 H HN 0.404 nan 8.280 nan 0.000 0.516 147 F N -0.793 118.835 119.950 -0.537 0.000 2.530 147 F HA 0.034 4.561 4.527 -0.000 0.000 0.292 147 F C 1.197 176.810 175.800 -0.312 0.000 1.109 147 F CA 0.034 57.698 58.000 -0.560 0.000 1.450 147 F CB 0.211 38.801 39.000 -0.682 0.000 1.114 147 F HN 0.063 nan 8.300 nan 0.000 0.560 148 F N -0.392 119.601 119.950 0.070 0.000 2.639 148 F HA 0.445 4.972 4.527 -0.000 0.000 0.302 148 F C 1.931 177.673 175.800 -0.097 0.000 1.097 148 F CA -0.618 57.385 58.000 0.005 0.000 1.294 148 F CB -1.422 37.646 39.000 0.114 0.000 1.027 148 F HN -0.082 nan 8.300 nan 0.000 0.550 149 A N 0.591 123.424 122.820 0.021 0.000 1.894 149 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 149 A C 1.824 179.380 177.584 -0.047 0.000 1.237 149 A CA 2.556 54.572 52.037 -0.035 0.000 0.660 149 A CB -0.751 18.184 19.000 -0.108 0.000 0.835 149 A HN 0.324 nan 8.150 nan 0.000 0.461 150 D N -1.167 119.190 120.400 -0.072 0.000 2.328 150 D HA 0.114 4.754 4.640 -0.000 0.000 0.226 150 D C 0.204 176.417 176.300 -0.145 0.000 1.066 150 D CA 0.127 54.074 54.000 -0.089 0.000 0.861 150 D CB -0.020 40.732 40.800 -0.080 0.000 0.912 150 D HN 0.152 nan 8.370 nan 0.000 0.521 151 R N 1.252 121.623 120.500 -0.214 0.000 2.234 151 R HA 0.188 4.528 4.340 -0.000 0.000 0.324 151 R C -1.504 174.510 176.300 -0.476 0.000 1.054 151 R CA -1.573 54.222 56.100 -0.508 0.000 0.912 151 R CB 0.788 30.527 30.300 -0.936 0.000 1.030 151 R HN -0.138 nan 8.270 nan 0.000 0.455 152 P HA -0.187 nan 4.420 nan 0.000 0.217 152 P C 0.418 177.656 177.300 -0.105 0.000 1.148 152 P CA 1.210 64.204 63.100 -0.176 0.000 0.828 152 P CB -0.007 31.636 31.700 -0.096 0.000 0.783 153 F N -1.955 117.971 119.950 -0.040 0.000 2.748 153 F HA 0.150 4.677 4.527 -0.000 0.000 0.299 153 F C 1.690 177.457 175.800 -0.056 0.000 1.154 153 F CA -0.227 57.737 58.000 -0.059 0.000 1.446 153 F CB -1.739 37.199 39.000 -0.103 0.000 1.112 153 F HN -0.216 nan 8.300 nan 0.000 0.584 154 L N 1.065 122.317 121.223 0.049 0.000 2.081 154 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 154 L C 2.667 179.618 176.870 0.135 0.000 1.080 154 L CA 2.108 57.026 54.840 0.130 0.000 0.754 154 L CB -0.979 41.118 42.059 0.063 0.000 0.893 154 L HN 0.483 nan 8.230 nan 0.000 0.433 155 Q N -0.838 119.018 119.800 0.094 0.000 2.020 155 Q HA -0.280 4.060 4.340 -0.000 0.000 0.202 155 Q C 2.006 178.068 176.000 0.104 0.000 0.982 155 Q CA 2.139 57.994 55.803 0.086 0.000 0.838 155 Q CB -0.279 28.494 28.738 0.059 0.000 0.899 155 Q HN 0.653 nan 8.270 nan 0.000 0.423 156 D N 0.122 120.586 120.400 0.106 0.000 2.116 156 D HA -0.212 4.428 4.640 -0.000 0.000 0.193 156 D C 2.018 178.386 176.300 0.113 0.000 0.998 156 D CA 1.172 55.233 54.000 0.101 0.000 0.836 156 D CB -0.310 40.545 40.800 0.092 0.000 0.951 156 D HN 0.299 nan 8.370 nan 0.000 0.449 157 L N 0.154 121.454 121.223 0.128 0.000 1.971 157 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 157 L C 2.434 179.410 176.870 0.177 0.000 1.072 157 L CA 1.443 56.349 54.840 0.110 0.000 0.758 157 L CB -0.541 41.589 42.059 0.118 0.000 0.889 157 L HN 0.292 nan 8.230 nan 0.000 0.433 158 L N -1.001 120.326 121.223 0.173 0.000 2.093 158 L HA -0.281 4.059 4.340 -0.000 0.000 0.208 158 L C 2.933 179.946 176.870 0.237 0.000 1.085 158 L CA 1.409 56.370 54.840 0.201 0.000 0.755 158 L CB -0.637 41.509 42.059 0.146 0.000 0.904 158 L HN 0.575 nan 8.230 nan 0.000 0.435 159 C N 0.716 120.119 119.300 0.171 0.000 2.442 159 C HA -0.186 4.274 4.460 -0.000 0.000 0.279 159 C C 2.981 178.077 174.990 0.178 0.000 1.237 159 C CA 0.894 60.001 59.018 0.148 0.000 1.722 159 C CB -0.678 27.125 27.740 0.105 0.000 2.056 159 C HN 0.432 nan 8.230 nan 0.000 0.469 160 R N -0.814 119.792 120.500 0.176 0.000 2.096 160 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 160 R C 2.147 178.575 176.300 0.214 0.000 1.139 160 R CA 2.218 58.420 56.100 0.170 0.000 0.952 160 R CB -0.859 29.531 30.300 0.151 0.000 0.854 160 R HN 0.706 nan 8.270 nan 0.000 0.436 161 F N 1.846 121.875 119.950 0.131 0.000 2.065 161 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 161 F C 1.693 177.601 175.800 0.180 0.000 1.112 161 F CA 2.080 60.179 58.000 0.165 0.000 1.212 161 F CB -0.286 38.825 39.000 0.185 0.000 0.975 161 F HN 0.009 nan 8.300 nan 0.000 0.476 162 N N -0.563 118.342 118.700 0.342 0.000 2.244 162 N HA -0.169 4.571 4.740 -0.000 0.000 0.183 162 N C 1.849 177.446 175.510 0.145 0.000 1.016 162 N CA 0.845 54.029 53.050 0.223 0.000 0.866 162 N CB -0.192 38.433 38.487 0.230 0.000 0.980 162 N HN 0.171 nan 8.380 nan 0.000 0.430 163 R N 0.615 121.199 120.500 0.139 0.000 2.083 163 R HA -0.079 4.261 4.340 -0.000 0.000 0.237 163 R C 1.678 178.015 176.300 0.062 0.000 1.137 163 R CA 1.125 57.302 56.100 0.129 0.000 0.951 163 R CB -0.318 30.041 30.300 0.097 0.000 0.851 163 R HN 0.033 nan 8.270 nan 0.000 0.434 164 V N 0.942 120.861 119.914 0.008 0.000 2.548 164 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 164 V C 1.842 177.918 176.094 -0.030 0.000 1.055 164 V CA 1.989 64.268 62.300 -0.035 0.000 1.065 164 V CB -0.494 31.339 31.823 0.017 0.000 0.681 164 V HN 0.479 nan 8.190 nan 0.000 0.462 165 D N -0.582 119.786 120.400 -0.053 0.000 2.117 165 D HA -0.269 4.371 4.640 -0.000 0.000 0.197 165 D C 2.020 178.442 176.300 0.203 0.000 0.987 165 D CA 1.531 55.571 54.000 0.066 0.000 0.829 165 D CB -0.222 40.602 40.800 0.040 0.000 0.961 165 D HN 0.457 nan 8.370 nan 0.000 0.460 166 Y N 1.167 121.481 120.300 0.023 0.000 2.145 166 Y HA -0.153 4.397 4.550 0.000 0.000 0.286 166 Y C 2.544 178.418 175.900 -0.044 0.000 1.145 166 Y CA 2.515 60.620 58.100 0.009 0.000 1.148 166 Y CB -1.208 37.248 38.460 -0.008 0.000 0.981 166 Y HN 0.166 nan 8.280 nan 0.000 0.507 167 T N -3.487 110.948 114.554 -0.199 0.000 2.929 167 T HA -0.145 4.205 4.350 -0.000 0.000 0.271 167 T C 1.724 176.346 174.700 -0.129 0.000 1.085 167 T CA 1.801 63.730 62.100 -0.285 0.000 1.125 167 T CB -0.891 67.760 68.868 -0.362 0.000 0.874 167 T HN 0.347 nan 8.240 nan 0.000 0.494 168 T N 1.739 116.220 114.554 -0.122 0.000 2.896 168 T HA 0.277 4.627 4.350 -0.000 0.000 0.263 168 T C 2.488 177.013 174.700 -0.292 0.000 1.050 168 T CA 0.894 62.847 62.100 -0.244 0.000 1.140 168 T CB -0.661 67.864 68.868 -0.571 0.000 0.877 168 T HN 0.593 nan 8.240 nan 0.000 0.457 169 A N 1.071 123.820 122.820 -0.118 0.000 1.972 169 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 169 A C 2.510 180.032 177.584 -0.104 0.000 1.169 169 A CA 1.078 53.139 52.037 0.040 0.000 0.635 169 A CB -0.908 18.237 19.000 0.242 0.000 0.810 169 A HN 0.355 nan 8.150 nan 0.000 0.446 170 V N -0.240 119.517 119.914 -0.263 0.000 2.427 170 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 170 V C 2.760 178.542 176.094 -0.520 0.000 1.051 170 V CA 1.770 63.777 62.300 -0.489 0.000 1.048 170 V CB -1.225 30.161 31.823 -0.728 0.000 0.666 170 V HN 0.606 nan 8.190 nan 0.000 0.456 171 G N -1.118 107.547 108.800 -0.225 0.000 2.422 171 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 171 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 171 G C 1.480 176.387 174.900 0.012 0.000 1.146 171 G CA 0.366 45.477 45.100 0.018 0.000 0.769 171 G HN 0.443 nan 8.290 nan 0.000 0.547 172 Q N -0.388 119.380 119.800 -0.053 0.000 2.230 172 Q HA 0.019 4.358 4.340 -0.000 0.000 0.202 172 Q C 2.513 178.517 176.000 0.006 0.000 0.963 172 Q CA 0.633 56.432 55.803 -0.006 0.000 0.866 172 Q CB -0.234 28.509 28.738 0.007 0.000 0.931 172 Q HN 0.526 nan 8.270 nan 0.000 0.452 173 L N -0.463 120.718 121.223 -0.070 0.000 2.027 173 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 173 L C 1.996 178.896 176.870 0.049 0.000 1.074 173 L CA 1.644 56.447 54.840 -0.063 0.000 0.745 173 L CB -0.710 41.229 42.059 -0.201 0.000 0.898 173 L HN 0.008 nan 8.230 nan 0.000 0.433 174 Y N 0.382 120.690 120.300 0.013 0.000 2.181 174 Y HA -0.257 4.293 4.550 -0.000 0.000 0.288 174 Y C 2.701 178.618 175.900 0.027 0.000 1.146 174 Y CA 1.353 59.466 58.100 0.022 0.000 1.164 174 Y CB -1.120 37.355 38.460 0.024 0.000 0.982 174 Y HN 0.450 nan 8.280 nan 0.000 0.515 175 D N -0.142 120.369 120.400 0.186 0.000 2.097 175 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 175 D C 1.923 178.274 176.300 0.086 0.000 0.984 175 D CA 1.370 55.433 54.000 0.106 0.000 0.826 175 D CB 0.108 40.959 40.800 0.085 0.000 0.973 175 D HN 0.203 nan 8.370 nan 0.000 0.460 176 V N 0.762 120.733 119.914 0.096 0.000 3.217 176 V HA -0.088 4.032 4.120 -0.000 0.000 0.264 176 V C 1.972 178.155 176.094 0.148 0.000 1.135 176 V CA 1.791 64.151 62.300 0.099 0.000 1.142 176 V CB -0.162 31.721 31.823 0.100 0.000 0.754 176 V HN 0.380 nan 8.190 nan 0.000 0.484 177 T N -4.673 109.986 114.554 0.174 0.000 3.176 177 T HA 0.154 4.504 4.350 -0.000 0.000 0.263 177 T C 1.614 176.426 174.700 0.187 0.000 1.021 177 T CA 0.515 62.772 62.100 0.261 0.000 0.905 177 T CB 0.625 69.640 68.868 0.246 0.000 1.057 177 T HN 0.197 nan 8.240 nan 0.000 0.558 178 S N 1.892 117.634 115.700 0.070 0.000 2.357 178 S HA 0.001 4.471 4.470 -0.000 0.000 0.221 178 S C 1.966 176.589 174.600 0.038 0.000 1.031 178 S CA 1.262 59.481 58.200 0.033 0.000 0.982 178 S CB -0.355 62.825 63.200 -0.034 0.000 0.853 178 S HN 0.766 nan 8.310 nan 0.000 0.458 179 M N 0.534 120.035 119.600 -0.163 0.000 2.202 179 M HA -0.038 4.442 4.480 -0.000 0.000 0.262 179 M C -0.292 175.755 176.300 -0.422 0.000 1.063 179 M CA 1.347 56.462 55.300 -0.309 0.000 1.097 179 M CB -0.319 31.901 32.600 -0.634 0.000 1.382 179 M HN 0.177 nan 8.290 nan 0.000 0.413 180 F N -0.497 119.501 119.950 0.080 0.000 2.594 180 F HA 0.452 4.979 4.527 -0.000 0.000 0.335 180 F C 0.067 175.902 175.800 0.058 0.000 1.058 180 F CA -1.637 56.387 58.000 0.039 0.000 0.981 180 F CB 0.081 39.096 39.000 0.024 0.000 1.289 180 F HN -0.137 nan 8.300 nan 0.000 0.490 181 D N 0.640 121.198 120.400 0.262 0.000 2.336 181 D HA 0.067 4.707 4.640 -0.000 0.000 0.249 181 D C 0.865 177.250 176.300 0.141 0.000 1.213 181 D CA 0.190 54.288 54.000 0.162 0.000 0.870 181 D CB 1.313 42.179 40.800 0.110 0.000 1.076 181 D HN 0.641 nan 8.370 nan 0.000 0.483 182 S N 4.074 119.854 115.700 0.133 0.000 2.409 182 S HA -0.294 4.176 4.470 -0.000 0.000 0.237 182 S C 1.494 176.139 174.600 0.075 0.000 1.060 182 S CA 1.375 59.639 58.200 0.107 0.000 1.052 182 S CB -0.269 62.986 63.200 0.092 0.000 0.871 182 S HN 0.599 nan 8.310 nan 0.000 0.465 183 N N 1.205 119.944 118.700 0.065 0.000 2.084 183 N HA -0.036 4.704 4.740 -0.000 0.000 0.190 183 N C 0.679 176.210 175.510 0.035 0.000 1.030 183 N CA 1.013 54.090 53.050 0.046 0.000 0.849 183 N CB -0.189 38.323 38.487 0.042 0.000 1.012 183 N HN 0.163 nan 8.380 nan 0.000 0.423 184 K N 1.083 121.506 120.400 0.037 0.000 3.226 184 K HA 0.213 4.533 4.320 -0.000 0.000 0.268 184 K C -0.543 176.051 176.600 -0.009 0.000 1.217 184 K CA -0.056 56.239 56.287 0.013 0.000 1.242 184 K CB -0.630 31.878 32.500 0.013 0.000 1.389 184 K HN 0.240 nan 8.250 nan 0.000 0.406 185 L N 1.543 122.769 121.223 0.005 0.000 2.283 185 L HA 0.260 4.599 4.340 -0.000 0.000 0.281 185 L C -0.855 176.008 176.870 -0.011 0.000 1.033 185 L CA -0.239 54.597 54.840 -0.008 0.000 0.848 185 L CB 0.873 42.952 42.059 0.033 0.000 1.226 185 L HN 0.123 nan 8.230 nan 0.000 0.429 186 D N 5.606 125.986 120.400 -0.033 0.000 2.318 186 D HA 0.218 4.858 4.640 -0.000 0.000 0.233 186 D C -2.118 174.156 176.300 -0.043 0.000 1.348 186 D CA -1.162 52.821 54.000 -0.028 0.000 0.983 186 D CB 2.136 42.922 40.800 -0.024 0.000 1.416 186 D HN 0.094 nan 8.370 nan 0.000 0.558 187 P HA -0.087 nan 4.420 nan 0.000 0.218 187 P C 0.186 177.465 177.300 -0.035 0.000 1.146 187 P CA 1.109 64.187 63.100 -0.037 0.000 0.813 187 P CB 0.263 31.951 31.700 -0.020 0.000 0.778 188 D N -1.702 118.681 120.400 -0.027 0.000 2.378 188 D HA 0.028 4.668 4.640 -0.000 0.000 0.227 188 D C -0.021 176.262 176.300 -0.029 0.000 1.012 188 D CA 0.477 54.464 54.000 -0.023 0.000 0.905 188 D CB -0.055 40.736 40.800 -0.015 0.000 0.895 188 D HN 0.060 nan 8.370 nan 0.000 0.532 189 V N 0.833 120.721 119.914 -0.043 0.000 2.638 189 V HA 0.217 4.336 4.120 -0.000 0.000 0.306 189 V C 0.144 176.196 176.094 -0.070 0.000 1.052 189 V CA -1.143 61.128 62.300 -0.048 0.000 0.885 189 V CB 2.040 33.836 31.823 -0.046 0.000 0.999 189 V HN 0.081 nan 8.190 nan 0.000 0.424 190 S N 4.307 119.972 115.700 -0.058 0.000 2.572 190 S HA 0.405 4.875 4.470 -0.000 0.000 0.267 190 S C -0.357 174.183 174.600 -0.100 0.000 1.361 190 S CA -0.605 57.553 58.200 -0.070 0.000 1.009 190 S CB 0.284 63.459 63.200 -0.041 0.000 0.888 190 S HN 0.846 nan 8.310 nan 0.000 0.553 191 Q N -0.464 119.258 119.800 -0.130 0.000 2.345 191 Q HA 0.760 5.100 4.340 -0.000 0.000 0.275 191 Q C -3.112 172.848 176.000 -0.067 0.000 1.063 191 Q CA -1.682 54.007 55.803 -0.190 0.000 0.819 191 Q CB 1.063 29.494 28.738 -0.512 0.000 1.356 191 Q HN 0.503 nan 8.270 nan 0.000 0.418 192 P HA 0.358 nan 4.420 nan 0.000 0.298 192 P C -0.897 176.588 177.300 0.310 0.000 1.341 192 P CA -0.569 62.611 63.100 0.133 0.000 0.988 192 P CB 1.844 33.587 31.700 0.073 0.000 1.265 193 T N 1.290 115.976 114.554 0.220 0.000 2.902 193 T HA 0.062 4.412 4.350 -0.000 0.000 0.301 193 T C 0.583 175.266 174.700 -0.028 0.000 1.012 193 T CA 0.714 62.860 62.100 0.077 0.000 1.151 193 T CB -0.263 68.568 68.868 -0.061 0.000 0.946 193 T HN 0.490 nan 8.240 nan 0.000 0.542 194 T N 2.590 117.077 114.554 -0.111 0.000 2.933 194 T HA 0.058 4.408 4.350 -0.000 0.000 0.306 194 T C 1.510 175.987 174.700 -0.372 0.000 1.045 194 T CA 0.598 62.587 62.100 -0.185 0.000 1.143 194 T CB 0.184 68.927 68.868 -0.209 0.000 1.003 194 T HN 0.832 nan 8.240 nan 0.000 0.540 195 T N 0.037 114.501 114.554 -0.149 0.000 3.010 195 T HA 0.142 4.492 4.350 -0.000 0.000 0.257 195 T C 0.979 175.810 174.700 0.218 0.000 1.020 195 T CA 0.284 62.383 62.100 -0.002 0.000 0.938 195 T CB 0.260 69.157 68.868 0.047 0.000 1.049 195 T HN 0.747 nan 8.240 nan 0.000 0.522 196 D N 0.391 120.884 120.400 0.154 0.000 2.441 196 D HA 0.067 4.707 4.640 -0.000 0.000 0.210 196 D C 0.281 176.749 176.300 0.280 0.000 1.102 196 D CA -0.546 53.582 54.000 0.212 0.000 0.840 196 D CB -0.492 40.368 40.800 0.101 0.000 0.990 196 D HN 0.417 nan 8.370 nan 0.000 0.505 197 F N 1.118 120.991 119.950 -0.129 0.000 3.019 197 F HA -0.294 4.233 4.527 0.000 0.000 0.259 197 F C 1.758 177.507 175.800 -0.084 0.000 0.976 197 F CA 0.110 57.925 58.000 -0.307 0.000 0.876 197 F CB -1.600 37.060 39.000 -0.566 0.000 0.784 197 F HN 0.180 nan 8.300 nan 0.000 0.786 198 A N -0.566 122.332 122.820 0.129 0.000 2.168 198 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 198 A C 1.923 179.608 177.584 0.168 0.000 1.152 198 A CA 1.158 53.270 52.037 0.126 0.000 0.716 198 A CB -0.125 18.926 19.000 0.086 0.000 0.794 198 A HN 0.443 nan 8.150 nan 0.000 0.465 199 E N -0.854 119.496 120.200 0.251 0.000 2.463 199 E HA 0.093 4.443 4.350 -0.000 0.000 0.193 199 E C -0.710 176.091 176.600 0.336 0.000 1.041 199 E CA -0.154 56.393 56.400 0.244 0.000 0.879 199 E CB -0.068 29.755 29.700 0.205 0.000 0.997 199 E HN 0.546 nan 8.360 nan 0.000 0.478 200 F N 2.533 122.537 119.950 0.090 0.000 2.666 200 F HA 0.061 4.588 4.527 -0.000 0.000 0.362 200 F C 1.045 176.852 175.800 0.011 0.000 1.190 200 F CA -0.259 57.791 58.000 0.084 0.000 1.328 200 F CB -0.661 38.415 39.000 0.127 0.000 1.682 200 F HN -0.250 nan 8.300 nan 0.000 0.623 201 T N -2.901 111.727 114.554 0.123 0.000 2.950 201 T HA 0.361 4.711 4.350 -0.000 0.000 0.288 201 T C 1.011 175.733 174.700 0.036 0.000 1.035 201 T CA -0.807 61.323 62.100 0.050 0.000 1.028 201 T CB 1.811 70.707 68.868 0.047 0.000 1.109 201 T HN 0.120 nan 8.240 nan 0.000 0.514 202 L N 1.710 122.937 121.223 0.006 0.000 2.012 202 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 202 L C 2.742 179.679 176.870 0.112 0.000 1.073 202 L CA 1.995 56.864 54.840 0.049 0.000 0.748 202 L CB -1.359 40.709 42.059 0.014 0.000 0.891 202 L HN 0.894 nan 8.230 nan 0.000 0.431 203 S N -0.343 115.396 115.700 0.065 0.000 2.387 203 S HA -0.222 4.248 4.470 -0.000 0.000 0.230 203 S C 1.699 176.322 174.600 0.038 0.000 1.035 203 S CA 1.915 60.146 58.200 0.053 0.000 1.014 203 S CB -0.727 62.491 63.200 0.030 0.000 0.836 203 S HN 0.631 nan 8.310 nan 0.000 0.466 204 N N -0.557 118.166 118.700 0.037 0.000 2.333 204 N HA 0.021 4.761 4.740 -0.000 0.000 0.178 204 N C 1.582 177.105 175.510 0.022 0.000 1.018 204 N CA 0.525 53.571 53.050 -0.008 0.000 0.882 204 N CB -0.175 38.306 38.487 -0.010 0.000 0.984 204 N HN 0.349 nan 8.380 nan 0.000 0.434 205 Y N 2.735 123.015 120.300 -0.034 0.000 2.053 205 Y HA -0.261 4.289 4.550 0.000 0.000 0.277 205 Y C 1.999 177.924 175.900 0.043 0.000 1.159 205 Y CA 1.696 59.794 58.100 -0.004 0.000 1.125 205 Y CB -0.144 38.323 38.460 0.011 0.000 0.969 205 Y HN -0.148 nan 8.280 nan 0.000 0.492 206 K N -0.272 120.185 120.400 0.095 0.000 2.089 206 K HA -0.304 4.016 4.320 -0.000 0.000 0.210 206 K C 2.376 178.948 176.600 -0.046 0.000 1.048 206 K CA 2.046 58.352 56.287 0.032 0.000 0.926 206 K CB -0.294 32.264 32.500 0.098 0.000 0.714 206 K HN 0.351 nan 8.250 nan 0.000 0.448 207 R N 1.476 121.961 120.500 -0.024 0.000 2.057 207 R HA -0.026 4.314 4.340 -0.000 0.000 0.229 207 R C 1.952 178.330 176.300 0.130 0.000 1.136 207 R CA 1.204 57.324 56.100 0.033 0.000 0.952 207 R CB -0.152 30.081 30.300 -0.112 0.000 0.848 207 R HN 0.270 nan 8.270 nan 0.000 0.430 208 I N -0.145 120.440 120.570 0.024 0.000 3.600 208 I HA 0.062 4.232 4.170 -0.000 0.000 0.300 208 I C -0.164 175.964 176.117 0.018 0.000 1.284 208 I CA 0.330 61.709 61.300 0.131 0.000 1.259 208 I CB 0.449 38.503 38.000 0.090 0.000 1.081 208 I HN 0.071 nan 8.210 nan 0.000 0.465 209 V N 0.714 120.619 119.914 -0.016 0.000 3.163 209 V HA -0.072 4.048 4.120 -0.000 0.000 0.217 209 V C 2.001 178.088 176.094 -0.012 0.000 1.540 209 V CA 0.575 62.815 62.300 -0.100 0.000 1.205 209 V CB 0.115 31.685 31.823 -0.421 0.000 1.110 209 V HN 0.418 nan 8.190 nan 0.000 0.482 210 K N 0.177 120.547 120.400 -0.050 0.000 2.026 210 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 210 K C 2.014 178.575 176.600 -0.066 0.000 1.048 210 K CA 2.252 58.455 56.287 -0.139 0.000 0.929 210 K CB -0.234 32.105 32.500 -0.269 0.000 0.713 210 K HN 0.532 nan 8.250 nan 0.000 0.439 211 Y N 0.897 121.336 120.300 0.231 0.000 2.337 211 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 211 Y C 2.336 178.349 175.900 0.189 0.000 1.123 211 Y CA 1.398 59.671 58.100 0.289 0.000 1.201 211 Y CB 0.107 38.690 38.460 0.205 0.000 1.011 211 Y HN 0.149 nan 8.280 nan 0.000 0.545 212 K N -1.015 119.542 120.400 0.261 0.000 2.314 212 K HA 0.017 4.337 4.320 -0.000 0.000 0.198 212 K C 0.963 177.691 176.600 0.214 0.000 1.045 212 K CA 1.626 58.005 56.287 0.154 0.000 0.988 212 K CB 0.041 32.608 32.500 0.112 0.000 0.783 212 K HN 0.088 nan 8.250 nan 0.000 0.484 213 T N -0.163 114.526 114.554 0.225 0.000 3.098 213 T HA 0.243 4.593 4.350 -0.000 0.000 0.246 213 T C 1.786 176.558 174.700 0.119 0.000 0.983 213 T CA 0.384 62.631 62.100 0.245 0.000 1.094 213 T CB 0.255 69.260 68.868 0.228 0.000 1.035 213 T HN 0.288 nan 8.240 nan 0.000 0.456 214 A N 0.218 123.086 122.820 0.080 0.000 1.968 214 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 214 A C 1.895 179.465 177.584 -0.023 0.000 1.169 214 A CA 1.134 53.184 52.037 0.020 0.000 0.638 214 A CB -0.849 18.080 19.000 -0.119 0.000 0.812 214 A HN 0.553 nan 8.150 nan 0.000 0.446 215 Y N -1.099 119.235 120.300 0.057 0.000 2.133 215 Y HA -0.256 4.295 4.550 0.000 0.000 0.287 215 Y C 2.414 178.357 175.900 0.071 0.000 1.134 215 Y CA 2.148 60.287 58.100 0.065 0.000 1.133 215 Y CB -0.484 38.024 38.460 0.080 0.000 0.987 215 Y HN 0.633 nan 8.280 nan 0.000 0.502 216 Y N -2.017 118.360 120.300 0.128 0.000 2.519 216 Y HA 0.074 4.624 4.550 -0.000 0.000 0.287 216 Y C 1.852 177.727 175.900 -0.042 0.000 1.128 216 Y CA 0.989 59.112 58.100 0.039 0.000 1.282 216 Y CB -0.810 37.656 38.460 0.010 0.000 1.027 216 Y HN -0.134 nan 8.280 nan 0.000 0.551 217 T N -0.620 113.455 114.554 -0.798 0.000 2.976 217 T HA 0.024 4.373 4.350 -0.000 0.000 0.257 217 T C 0.837 175.021 174.700 -0.860 0.000 1.051 217 T CA 1.607 63.084 62.100 -1.039 0.000 1.141 217 T CB -0.251 67.950 68.868 -1.112 0.000 0.881 217 T HN 0.461 nan 8.240 nan 0.000 0.461 218 Y N -0.383 119.754 120.300 -0.272 0.000 2.678 218 Y HA 0.433 4.983 4.550 -0.000 0.000 0.274 218 Y C 2.035 177.885 175.900 -0.084 0.000 1.114 218 Y CA -0.338 57.659 58.100 -0.172 0.000 1.274 218 Y CB -0.027 38.333 38.460 -0.166 0.000 1.438 218 Y HN -0.056 nan 8.280 nan 0.000 0.493 219 L N -0.039 121.238 121.223 0.090 0.000 2.046 219 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 219 L C 2.207 179.150 176.870 0.123 0.000 1.077 219 L CA 1.533 56.440 54.840 0.110 0.000 0.747 219 L CB -0.357 41.798 42.059 0.159 0.000 0.896 219 L HN 0.333 nan 8.230 nan 0.000 0.432 220 L N 0.369 121.664 121.223 0.119 0.000 2.005 220 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 220 L C -0.568 176.366 176.870 0.107 0.000 1.072 220 L CA 1.785 56.706 54.840 0.135 0.000 0.744 220 L CB -1.637 40.516 42.059 0.157 0.000 0.895 220 L HN 0.031 nan 8.230 nan 0.000 0.433 221 P HA -0.203 nan 4.420 nan 0.000 0.215 221 P C 2.090 179.420 177.300 0.050 0.000 1.157 221 P CA 1.737 64.851 63.100 0.024 0.000 0.874 221 P CB -0.053 31.607 31.700 -0.067 0.000 0.790 222 L N -1.486 119.783 121.223 0.077 0.000 2.027 222 L HA -0.140 4.199 4.340 -0.000 0.000 0.206 222 L C 2.436 179.408 176.870 0.170 0.000 1.074 222 L CA 1.286 56.222 54.840 0.159 0.000 0.745 222 L CB -1.162 41.023 42.059 0.210 0.000 0.898 222 L HN -0.136 nan 8.230 nan 0.000 0.433 223 V N -0.251 119.737 119.914 0.124 0.000 2.343 223 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 223 V C 2.447 178.556 176.094 0.026 0.000 1.051 223 V CA 1.901 64.246 62.300 0.075 0.000 1.036 223 V CB -0.323 31.555 31.823 0.093 0.000 0.654 223 V HN 0.403 nan 8.190 nan 0.000 0.451 224 M N -0.292 119.332 119.600 0.040 0.000 2.254 224 M HA -0.018 4.462 4.480 -0.000 0.000 0.265 224 M C 2.193 178.448 176.300 -0.076 0.000 1.066 224 M CA 1.678 56.966 55.300 -0.021 0.000 1.123 224 M CB -0.659 31.973 32.600 0.052 0.000 1.388 224 M HN 0.476 nan 8.290 nan 0.000 0.425 225 G N 0.462 109.257 108.800 -0.009 0.000 2.402 225 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 225 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 225 G C 1.507 176.390 174.900 -0.028 0.000 1.162 225 G CA 0.390 45.486 45.100 -0.006 0.000 0.777 225 G HN 0.301 nan 8.290 nan 0.000 0.539 226 L N -0.068 121.146 121.223 -0.016 0.000 2.012 226 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 226 L C 2.862 179.647 176.870 -0.141 0.000 1.073 226 L CA 0.913 55.700 54.840 -0.088 0.000 0.748 226 L CB -0.293 41.676 42.059 -0.151 0.000 0.891 226 L HN 0.206 nan 8.230 nan 0.000 0.431 227 I N -0.485 119.971 120.570 -0.191 0.000 2.202 227 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 227 I C 2.309 178.116 176.117 -0.518 0.000 1.091 227 I CA 1.317 62.432 61.300 -0.308 0.000 1.368 227 I CB -0.149 37.647 38.000 -0.339 0.000 1.058 227 I HN 0.165 nan 8.210 nan 0.000 0.410 228 V N -3.236 116.332 119.914 -0.577 0.000 3.141 228 V HA -0.077 4.043 4.120 -0.000 0.000 0.265 228 V C 2.006 177.981 176.094 -0.198 0.000 1.126 228 V CA 1.516 63.458 62.300 -0.596 0.000 1.141 228 V CB -0.467 31.108 31.823 -0.413 0.000 0.743 228 V HN 0.252 nan 8.190 nan 0.000 0.492 229 S N -0.065 115.549 115.700 -0.143 0.000 2.501 229 S HA 0.064 4.534 4.470 -0.000 0.000 0.220 229 S C 0.774 175.350 174.600 -0.040 0.000 0.997 229 S CA 0.615 58.782 58.200 -0.055 0.000 0.919 229 S CB -0.343 62.836 63.200 -0.036 0.000 0.778 229 S HN 0.846 nan 8.310 nan 0.000 0.523 230 E N -0.419 119.739 120.200 -0.070 0.000 2.513 230 E HA -0.236 4.114 4.350 -0.000 0.000 0.257 230 E C 0.303 176.880 176.600 -0.039 0.000 1.098 230 E CA 0.418 56.802 56.400 -0.027 0.000 0.752 230 E CB -1.590 28.130 29.700 0.034 0.000 1.324 230 E HN 0.546 nan 8.360 nan 0.000 0.403 231 A N -0.156 122.621 122.820 -0.072 0.000 2.545 231 A HA 0.328 4.648 4.320 -0.000 0.000 0.263 231 A C 1.750 179.248 177.584 -0.143 0.000 1.202 231 A CA 0.173 52.157 52.037 -0.088 0.000 0.959 231 A CB 0.007 18.959 19.000 -0.079 0.000 1.124 231 A HN 0.268 nan 8.150 nan 0.000 0.543 232 L N -1.033 120.111 121.223 -0.131 0.000 1.991 232 L HA -0.143 4.197 4.340 -0.000 0.000 0.221 232 L C -0.694 176.091 176.870 -0.142 0.000 1.079 232 L CA 2.038 56.793 54.840 -0.142 0.000 0.778 232 L CB -2.327 39.679 42.059 -0.087 0.000 0.893 232 L HN 0.163 nan 8.230 nan 0.000 0.437 233 P HA -0.002 nan 4.420 nan 0.000 0.245 233 P C 1.428 178.674 177.300 -0.089 0.000 1.206 233 P CA 1.123 64.176 63.100 -0.078 0.000 0.781 233 P CB -0.176 31.496 31.700 -0.046 0.000 0.994 234 T N -2.861 111.625 114.554 -0.113 0.000 3.113 234 T HA 0.070 4.420 4.350 -0.000 0.000 0.263 234 T C 0.757 175.380 174.700 -0.127 0.000 1.143 234 T CA 0.181 62.220 62.100 -0.101 0.000 1.090 234 T CB -1.119 67.694 68.868 -0.093 0.000 0.922 234 T HN 0.016 nan 8.240 nan 0.000 0.521 235 V N -2.045 117.755 119.914 -0.190 0.000 2.919 235 V HA 0.558 4.678 4.120 -0.000 0.000 0.316 235 V C -0.554 175.471 176.094 -0.115 0.000 1.077 235 V CA -1.494 60.688 62.300 -0.197 0.000 0.977 235 V CB 1.802 33.347 31.823 -0.463 0.000 1.039 235 V HN 0.071 nan 8.190 nan 0.000 0.441 236 D N 2.640 123.005 120.400 -0.058 0.000 2.367 236 D HA 0.081 4.721 4.640 -0.000 0.000 0.255 236 D C 0.740 177.029 176.300 -0.019 0.000 1.300 236 D CA -0.090 53.894 54.000 -0.027 0.000 0.959 236 D CB 1.220 42.016 40.800 -0.007 0.000 1.064 236 D HN 0.705 nan 8.370 nan 0.000 0.509 237 M N 4.089 123.674 119.600 -0.025 0.000 2.086 237 M HA -0.003 4.477 4.480 -0.000 0.000 0.261 237 M C 1.923 178.232 176.300 0.015 0.000 1.067 237 M CA 1.897 57.193 55.300 -0.006 0.000 1.116 237 M CB -0.873 31.727 32.600 -0.000 0.000 1.348 237 M HN 0.401 nan 8.290 nan 0.000 0.407 238 G N -0.798 108.007 108.800 0.009 0.000 2.529 238 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 238 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 238 G C 1.473 176.371 174.900 -0.004 0.000 1.177 238 G CA 1.359 46.462 45.100 0.006 0.000 0.773 238 G HN 0.418 nan 8.290 nan 0.000 0.573 239 V N 0.617 120.528 119.914 -0.005 0.000 2.626 239 V HA -0.119 4.001 4.120 -0.000 0.000 0.252 239 V C 3.107 179.199 176.094 -0.004 0.000 1.067 239 V CA 2.194 64.484 62.300 -0.016 0.000 1.081 239 V CB -0.422 31.392 31.823 -0.014 0.000 0.686 239 V HN 0.407 nan 8.190 nan 0.000 0.468 240 T N -0.420 114.159 114.554 0.041 0.000 2.777 240 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 240 T C 1.785 176.506 174.700 0.034 0.000 1.040 240 T CA 1.547 63.704 62.100 0.096 0.000 1.141 240 T CB -0.129 68.845 68.868 0.176 0.000 0.868 240 T HN 0.578 nan 8.240 nan 0.000 0.444 241 E N 0.813 121.022 120.200 0.014 0.000 2.106 241 E HA -0.110 4.239 4.350 -0.000 0.000 0.192 241 E C 2.338 178.887 176.600 -0.085 0.000 0.984 241 E CA 0.774 57.160 56.400 -0.023 0.000 0.806 241 E CB -0.045 29.660 29.700 0.009 0.000 0.750 241 E HN 0.553 nan 8.360 nan 0.000 0.458 242 E N 0.440 120.595 120.200 -0.075 0.000 2.049 242 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 242 E C 2.204 178.710 176.600 -0.156 0.000 1.007 242 E CA 1.631 57.967 56.400 -0.106 0.000 0.809 242 E CB -0.181 29.465 29.700 -0.090 0.000 0.749 242 E HN 0.230 nan 8.360 nan 0.000 0.450 243 L N -1.406 119.719 121.223 -0.164 0.000 2.240 243 L HA 0.166 4.506 4.340 -0.000 0.000 0.211 243 L C 2.222 178.937 176.870 -0.259 0.000 1.106 243 L CA 1.539 56.232 54.840 -0.245 0.000 0.793 243 L CB -0.603 41.298 42.059 -0.263 0.000 0.927 243 L HN -0.096 nan 8.230 nan 0.000 0.446 244 A N 0.068 122.781 122.820 -0.179 0.000 1.969 244 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 244 A C 2.250 179.695 177.584 -0.231 0.000 1.169 244 A CA 1.790 53.731 52.037 -0.159 0.000 0.635 244 A CB -0.470 18.505 19.000 -0.041 0.000 0.810 244 A HN 0.410 nan 8.150 nan 0.000 0.445 245 M N -0.877 118.573 119.600 -0.251 0.000 2.156 245 M HA -0.019 4.461 4.480 -0.000 0.000 0.264 245 M C 2.016 178.199 176.300 -0.196 0.000 1.067 245 M CA 0.928 56.072 55.300 -0.261 0.000 1.131 245 M CB -1.363 31.083 32.600 -0.257 0.000 1.368 245 M HN 0.315 nan 8.290 nan 0.000 0.416 246 L N 0.669 121.763 121.223 -0.214 0.000 1.970 246 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 246 L C 2.418 179.155 176.870 -0.222 0.000 1.071 246 L CA 2.002 56.712 54.840 -0.217 0.000 0.751 246 L CB -1.088 40.781 42.059 -0.317 0.000 0.889 246 L HN 0.322 nan 8.230 nan 0.000 0.432 247 M N -1.473 117.901 119.600 -0.377 0.000 2.159 247 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 247 M C 2.110 178.135 176.300 -0.458 0.000 1.063 247 M CA 1.669 56.683 55.300 -0.477 0.000 1.110 247 M CB -0.986 31.123 32.600 -0.817 0.000 1.374 247 M HN 0.392 nan 8.290 nan 0.000 0.411 248 G N -0.085 108.475 108.800 -0.399 0.000 2.404 248 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.215 248 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.215 248 G C 1.367 176.365 174.900 0.163 0.000 1.174 248 G CA 0.789 45.878 45.100 -0.019 0.000 0.780 248 G HN 0.503 nan 8.290 nan 0.000 0.537 249 E N -0.587 119.677 120.200 0.107 0.000 2.038 249 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 249 E C 2.080 178.884 176.600 0.339 0.000 1.000 249 E CA 1.192 57.711 56.400 0.197 0.000 0.803 249 E CB -0.315 29.499 29.700 0.189 0.000 0.750 249 E HN 0.546 nan 8.360 nan 0.000 0.448 250 Y N 0.124 120.565 120.300 0.235 0.000 2.181 250 Y HA -0.278 4.272 4.550 -0.000 0.000 0.288 250 Y C 2.001 178.084 175.900 0.304 0.000 1.146 250 Y CA 1.994 60.272 58.100 0.297 0.000 1.164 250 Y CB -0.550 38.025 38.460 0.192 0.000 0.982 250 Y HN 0.163 nan 8.280 nan 0.000 0.515 251 F N 1.184 121.260 119.950 0.210 0.000 2.091 251 F HA -0.282 4.245 4.527 -0.000 0.000 0.299 251 F C 2.468 178.309 175.800 0.069 0.000 1.103 251 F CA 2.348 60.432 58.000 0.140 0.000 1.228 251 F CB -0.609 38.593 39.000 0.337 0.000 0.984 251 F HN 0.197 nan 8.300 nan 0.000 0.477 252 Q N 0.412 120.394 119.800 0.305 0.000 2.079 252 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 252 Q C 2.109 178.191 176.000 0.137 0.000 0.974 252 Q CA 2.045 57.969 55.803 0.201 0.000 0.840 252 Q CB -0.737 28.136 28.738 0.225 0.000 0.898 252 Q HN 0.365 nan 8.270 nan 0.000 0.430 253 V N 0.714 120.712 119.914 0.141 0.000 2.343 253 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 253 V C 2.368 178.371 176.094 -0.151 0.000 1.051 253 V CA 2.245 64.545 62.300 0.000 0.000 1.036 253 V CB -0.589 31.055 31.823 -0.298 0.000 0.654 253 V HN 0.525 nan 8.190 nan 0.000 0.451 254 Q N -0.720 118.948 119.800 -0.219 0.000 2.297 254 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 254 Q C 1.778 177.591 176.000 -0.312 0.000 0.962 254 Q CA 1.628 57.232 55.803 -0.331 0.000 0.879 254 Q CB 0.005 28.479 28.738 -0.440 0.000 0.947 254 Q HN 0.739 nan 8.270 nan 0.000 0.462 255 D N -0.426 119.814 120.400 -0.267 0.000 2.305 255 D HA -0.090 4.550 4.640 -0.000 0.000 0.206 255 D C 0.995 177.256 176.300 -0.065 0.000 0.974 255 D CA 0.669 54.540 54.000 -0.216 0.000 0.871 255 D CB 0.201 40.837 40.800 -0.273 0.000 0.947 255 D HN 0.168 nan 8.370 nan 0.000 0.516 256 D N -0.628 119.773 120.400 0.002 0.000 2.117 256 D HA -0.088 4.552 4.640 -0.000 0.000 0.198 256 D C 2.119 178.469 176.300 0.084 0.000 0.982 256 D CA 0.647 54.705 54.000 0.098 0.000 0.828 256 D CB 0.044 40.969 40.800 0.208 0.000 0.967 256 D HN 0.125 nan 8.370 nan 0.000 0.464 257 V N 0.685 120.602 119.914 0.005 0.000 2.379 257 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 257 V C 2.484 178.649 176.094 0.119 0.000 1.044 257 V CA 1.045 63.391 62.300 0.077 0.000 1.036 257 V CB -0.365 31.324 31.823 -0.223 0.000 0.664 257 V HN 0.202 nan 8.190 nan 0.000 0.453 258 M N -0.011 119.576 119.600 -0.022 0.000 2.106 258 M HA -0.258 4.222 4.480 -0.000 0.000 0.259 258 M C 1.994 178.313 176.300 0.031 0.000 1.068 258 M CA 2.416 57.713 55.300 -0.006 0.000 1.100 258 M CB -0.717 31.839 32.600 -0.073 0.000 1.351 258 M HN 0.417 nan 8.290 nan 0.000 0.404 259 D N -0.083 120.330 120.400 0.022 0.000 2.108 259 D HA -0.228 4.412 4.640 -0.000 0.000 0.190 259 D C 2.059 178.354 176.300 -0.008 0.000 0.995 259 D CA 1.969 55.979 54.000 0.018 0.000 0.834 259 D CB -0.023 40.800 40.800 0.038 0.000 0.967 259 D HN 0.502 nan 8.370 nan 0.000 0.446 260 C N -1.021 118.265 119.300 -0.023 0.000 2.472 260 C HA 0.125 4.585 4.460 -0.000 0.000 0.278 260 C C 1.878 176.612 174.990 -0.427 0.000 1.447 260 C CA 0.129 59.013 59.018 -0.224 0.000 1.773 260 C CB -1.693 25.915 27.740 -0.221 0.000 1.793 260 C HN 0.376 nan 8.230 nan 0.000 0.544 261 F N 0.127 120.089 119.950 0.019 0.000 2.699 261 F HA 0.236 4.763 4.527 -0.000 0.000 0.295 261 F C 1.380 177.171 175.800 -0.014 0.000 1.052 261 F CA 0.055 58.058 58.000 0.006 0.000 1.239 261 F CB -0.252 38.748 39.000 -0.001 0.000 1.018 261 F HN -0.140 nan 8.300 nan 0.000 0.627 262 T N 3.779 118.413 114.554 0.134 0.000 2.901 262 T HA 0.186 4.536 4.350 -0.000 0.000 0.301 262 T C -2.438 172.282 174.700 0.032 0.000 1.012 262 T CA -1.147 60.989 62.100 0.061 0.000 1.135 262 T CB 0.759 69.641 68.868 0.023 0.000 0.936 262 T HN -0.244 nan 8.240 nan 0.000 0.539 263 P HA 0.128 nan 4.420 nan 0.000 0.267 263 P C -1.901 175.399 177.300 0.001 0.000 1.200 263 P CA -1.416 61.690 63.100 0.010 0.000 0.772 263 P CB 0.025 31.730 31.700 0.009 0.000 0.855 264 P HA -0.194 nan 4.420 nan 0.000 0.216 264 P C 1.248 178.546 177.300 -0.003 0.000 1.153 264 P CA 1.589 64.685 63.100 -0.007 0.000 0.858 264 P CB -0.016 31.676 31.700 -0.012 0.000 0.789 265 E N -0.848 119.350 120.200 -0.004 0.000 2.058 265 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 265 E C 2.207 178.806 176.600 -0.001 0.000 0.997 265 E CA 1.199 57.597 56.400 -0.003 0.000 0.801 265 E CB -0.302 29.396 29.700 -0.003 0.000 0.746 265 E HN 0.083 nan 8.360 nan 0.000 0.450 266 R N -0.131 120.369 120.500 -0.001 0.000 2.246 266 R HA 0.043 4.383 4.340 -0.000 0.000 0.199 266 R C 1.417 177.714 176.300 -0.004 0.000 0.984 266 R CA 0.242 56.340 56.100 -0.002 0.000 1.015 266 R CB 0.176 30.475 30.300 -0.002 0.000 0.930 266 R HN 0.089 nan 8.270 nan 0.000 0.475 267 L N 0.258 121.481 121.223 -0.001 0.000 2.611 267 L HA 0.371 4.711 4.340 -0.000 0.000 0.229 267 L C 0.675 177.548 176.870 0.005 0.000 1.137 267 L CA 0.910 55.749 54.840 -0.001 0.000 0.901 267 L CB 0.312 42.371 42.059 -0.000 0.000 1.098 267 L HN 0.360 nan 8.230 nan 0.000 0.456 268 G N 0.813 109.616 108.800 0.005 0.000 2.296 268 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.282 268 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.282 268 G C 0.348 175.259 174.900 0.018 0.000 1.014 268 G CA 1.136 46.243 45.100 0.011 0.000 0.812 268 G HN 0.695 nan 8.290 nan 0.000 0.508 269 K N -3.686 116.722 120.400 0.014 0.000 3.255 269 K HA 0.494 4.814 4.320 -0.000 0.000 0.324 269 K C -1.190 175.415 176.600 0.008 0.000 1.085 269 K CA -0.668 55.630 56.287 0.017 0.000 0.804 269 K CB 0.449 32.969 32.500 0.033 0.000 1.480 269 K HN 0.585 nan 8.250 nan 0.000 0.406 270 V N 1.098 121.017 119.914 0.007 0.000 2.334 270 V HA 0.513 4.633 4.120 -0.000 0.000 0.281 270 V C 0.718 176.808 176.094 -0.007 0.000 1.016 270 V CA -0.332 61.965 62.300 -0.006 0.000 0.832 270 V CB 0.837 32.653 31.823 -0.011 0.000 0.999 270 V HN 0.865 nan 8.190 nan 0.000 0.439 271 G N 3.339 112.128 108.800 -0.018 0.000 2.151 271 G HA2 0.160 4.120 3.960 -0.000 0.000 0.269 271 G HA3 0.160 4.120 3.960 -0.000 0.000 0.269 271 G C 1.027 175.907 174.900 -0.034 0.000 1.069 271 G CA 0.648 45.734 45.100 -0.023 0.000 1.080 271 G HN 0.994 nan 8.290 nan 0.000 0.405 272 T N 0.235 114.780 114.554 -0.015 0.000 2.976 272 T HA -0.053 4.296 4.350 -0.000 0.000 0.257 272 T C 1.666 176.338 174.700 -0.048 0.000 1.051 272 T CA 0.909 62.995 62.100 -0.025 0.000 1.141 272 T CB -0.064 68.808 68.868 0.006 0.000 0.881 272 T HN 0.321 nan 8.240 nan 0.000 0.461 273 D N 1.789 122.181 120.400 -0.013 0.000 2.600 273 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 273 D C 1.815 178.068 176.300 -0.078 0.000 1.040 273 D CA 1.765 55.777 54.000 0.020 0.000 0.871 273 D CB -0.538 40.309 40.800 0.078 0.000 0.973 273 D HN 0.451 nan 8.370 nan 0.000 0.470 274 I N -0.110 120.355 120.570 -0.175 0.000 2.142 274 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 274 I C 2.554 178.314 176.117 -0.595 0.000 1.078 274 I CA 1.022 61.993 61.300 -0.549 0.000 1.343 274 I CB -0.218 37.557 38.000 -0.376 0.000 1.046 274 I HN 0.025 nan 8.210 nan 0.000 0.405 275 Q N 0.581 120.194 119.800 -0.311 0.000 2.062 275 Q HA -0.279 4.061 4.340 -0.000 0.000 0.209 275 Q C 1.505 177.390 176.000 -0.193 0.000 0.996 275 Q CA 2.034 57.704 55.803 -0.222 0.000 0.859 275 Q CB -0.201 28.460 28.738 -0.128 0.000 0.920 275 Q HN 0.349 nan 8.270 nan 0.000 0.415 276 D N -1.585 118.730 120.400 -0.142 0.000 2.336 276 D HA 0.239 4.879 4.640 -0.000 0.000 0.229 276 D C -0.427 175.848 176.300 -0.043 0.000 1.061 276 D CA 0.704 54.664 54.000 -0.067 0.000 0.875 276 D CB 0.010 40.800 40.800 -0.016 0.000 0.904 276 D HN 0.307 nan 8.370 nan 0.000 0.525 277 A N 0.381 123.102 122.820 -0.165 0.000 2.687 277 A HA -0.245 4.075 4.320 -0.000 0.000 0.299 277 A C 0.528 178.371 177.584 0.432 0.000 1.497 277 A CA 0.672 52.732 52.037 0.038 0.000 0.751 277 A CB -1.439 17.660 19.000 0.165 0.000 1.048 277 A HN 0.048 nan 8.150 nan 0.000 0.464 278 K N -1.040 119.556 120.400 0.327 0.000 2.102 278 K HA 0.322 4.642 4.320 -0.000 0.000 0.244 278 K C 0.687 177.494 176.600 0.344 0.000 1.021 278 K CA -0.136 56.324 56.287 0.287 0.000 0.913 278 K CB 0.882 33.488 32.500 0.176 0.000 1.062 278 K HN 0.740 nan 8.250 nan 0.000 0.485 279 C N 3.203 122.487 119.300 -0.027 0.000 2.865 279 C HA 0.126 4.586 4.460 -0.000 0.000 0.545 279 C C 0.600 175.643 174.990 0.088 0.000 1.154 279 C CA -0.397 58.413 59.018 -0.347 0.000 1.375 279 C CB -2.446 24.963 27.740 -0.550 0.000 1.627 279 C HN 0.639 nan 8.230 nan 0.000 0.623 280 S N 0.952 116.771 115.700 0.197 0.000 2.600 280 S HA 0.084 4.554 4.470 -0.000 0.000 0.265 280 S C 0.663 175.222 174.600 -0.068 0.000 1.325 280 S CA -0.471 57.873 58.200 0.239 0.000 1.002 280 S CB 0.384 63.730 63.200 0.244 0.000 0.921 280 S HN 0.864 nan 8.310 nan 0.000 0.554 281 W N 1.379 122.371 121.300 -0.514 0.000 2.350 281 W HA -0.095 4.565 4.660 -0.000 0.000 0.289 281 W C 1.535 177.753 176.519 -0.501 0.000 1.215 281 W CA 1.094 57.827 57.345 -1.020 0.000 1.236 281 W CB -0.390 28.621 29.460 -0.748 0.000 1.130 281 W HN 0.616 nan 8.180 nan 0.000 0.541 282 L N 0.340 121.434 121.223 -0.216 0.000 1.994 282 L HA -0.229 4.110 4.340 -0.000 0.000 0.208 282 L C 2.714 179.254 176.870 -0.550 0.000 1.071 282 L CA 1.770 56.330 54.840 -0.468 0.000 0.745 282 L CB -1.671 40.184 42.059 -0.340 0.000 0.892 282 L HN 0.126 nan 8.230 nan 0.000 0.431 283 A N 0.204 122.918 122.820 -0.177 0.000 1.877 283 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 283 A C 2.240 179.712 177.584 -0.186 0.000 1.186 283 A CA 2.125 54.133 52.037 -0.048 0.000 0.620 283 A CB -0.988 18.185 19.000 0.289 0.000 0.822 283 A HN 0.368 nan 8.150 nan 0.000 0.443 284 V N -3.002 116.754 119.914 -0.263 0.000 2.594 284 V HA -0.149 3.971 4.120 -0.000 0.000 0.253 284 V C 2.085 177.927 176.094 -0.420 0.000 1.069 284 V CA 2.576 64.709 62.300 -0.278 0.000 1.082 284 V CB -1.617 30.022 31.823 -0.306 0.000 0.680 284 V HN 0.408 nan 8.190 nan 0.000 0.469 285 T N 0.005 114.158 114.554 -0.669 0.000 2.978 285 T HA 0.099 4.449 4.350 -0.000 0.000 0.262 285 T C 1.385 175.831 174.700 -0.422 0.000 1.063 285 T CA 1.425 63.105 62.100 -0.701 0.000 1.140 285 T CB -0.284 67.801 68.868 -1.304 0.000 0.886 285 T HN 0.572 nan 8.240 nan 0.000 0.470 286 F N 2.017 121.667 119.950 -0.500 0.000 2.060 286 F HA 0.039 4.566 4.527 -0.000 0.000 0.295 286 F C 1.839 177.431 175.800 -0.346 0.000 1.120 286 F CA 1.194 58.986 58.000 -0.345 0.000 1.205 286 F CB -0.515 38.343 39.000 -0.237 0.000 0.986 286 F HN -0.017 nan 8.300 nan 0.000 0.470 287 L N 0.129 121.136 121.223 -0.360 0.000 2.189 287 L HA -0.236 4.104 4.340 -0.000 0.000 0.214 287 L C 2.559 179.212 176.870 -0.362 0.000 1.097 287 L CA 1.123 55.699 54.840 -0.440 0.000 0.764 287 L CB -0.959 40.901 42.059 -0.332 0.000 0.900 287 L HN 0.336 nan 8.230 nan 0.000 0.436 288 A N 0.544 123.179 122.820 -0.308 0.000 2.072 288 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 288 A C 1.962 179.404 177.584 -0.236 0.000 1.156 288 A CA 1.167 53.065 52.037 -0.232 0.000 0.701 288 A CB -0.085 18.796 19.000 -0.199 0.000 0.816 288 A HN 0.514 nan 8.150 nan 0.000 0.458 289 K N -1.264 118.954 120.400 -0.303 0.000 2.402 289 K HA 0.631 4.951 4.320 -0.000 0.000 0.204 289 K C 0.341 176.748 176.600 -0.322 0.000 1.056 289 K CA 0.448 56.582 56.287 -0.255 0.000 1.069 289 K CB 0.390 32.769 32.500 -0.203 0.000 0.888 289 K HN 0.186 nan 8.250 nan 0.000 0.546 290 A N 1.478 124.003 122.820 -0.491 0.000 2.316 290 A HA 0.505 4.825 4.320 -0.000 0.000 0.284 290 A C 0.391 177.774 177.584 -0.334 0.000 1.115 290 A CA -0.424 51.271 52.037 -0.570 0.000 0.812 290 A CB 0.597 18.895 19.000 -1.169 0.000 1.064 290 A HN 0.400 nan 8.150 nan 0.000 0.489 291 S N 1.334 116.893 115.700 -0.236 0.000 2.598 291 S HA 0.079 4.549 4.470 -0.000 0.000 0.256 291 S C 1.174 175.698 174.600 -0.127 0.000 1.350 291 S CA 0.505 58.621 58.200 -0.140 0.000 0.984 291 S CB 0.475 63.623 63.200 -0.086 0.000 0.930 291 S HN 0.704 nan 8.310 nan 0.000 0.577 292 S N 0.750 116.402 115.700 -0.080 0.000 2.383 292 S HA 0.008 4.478 4.470 -0.000 0.000 0.227 292 S C 2.203 176.781 174.600 -0.036 0.000 1.026 292 S CA 1.006 59.171 58.200 -0.059 0.000 0.981 292 S CB -1.028 62.149 63.200 -0.038 0.000 0.818 292 S HN 0.853 nan 8.310 nan 0.000 0.472 293 A N 1.107 123.912 122.820 -0.025 0.000 1.872 293 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 293 A C 2.029 179.629 177.584 0.028 0.000 1.187 293 A CA 1.201 53.239 52.037 0.001 0.000 0.614 293 A CB -0.611 18.390 19.000 0.003 0.000 0.826 293 A HN 0.505 nan 8.150 nan 0.000 0.442 294 Q N -0.647 119.166 119.800 0.022 0.000 2.170 294 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 294 Q C 2.048 178.174 176.000 0.210 0.000 0.976 294 Q CA 1.536 57.410 55.803 0.119 0.000 0.858 294 Q CB -0.254 28.516 28.738 0.054 0.000 0.907 294 Q HN 0.476 nan 8.270 nan 0.000 0.433 295 V N 0.269 120.211 119.914 0.047 0.000 2.488 295 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 295 V C 2.113 178.250 176.094 0.071 0.000 1.046 295 V CA 1.550 63.870 62.300 0.032 0.000 1.053 295 V CB -0.572 31.188 31.823 -0.105 0.000 0.679 295 V HN 0.387 nan 8.190 nan 0.000 0.458 296 A N -0.410 122.439 122.820 0.047 0.000 1.933 296 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 296 A C 2.098 179.716 177.584 0.056 0.000 1.175 296 A CA 1.885 53.949 52.037 0.045 0.000 0.628 296 A CB -0.394 18.624 19.000 0.029 0.000 0.814 296 A HN 0.510 nan 8.150 nan 0.000 0.444 297 E N -0.919 119.326 120.200 0.074 0.000 2.046 297 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 297 E C 1.613 178.234 176.600 0.036 0.000 0.982 297 E CA 0.824 57.256 56.400 0.052 0.000 0.800 297 E CB -0.613 29.122 29.700 0.059 0.000 0.756 297 E HN 0.618 nan 8.360 nan 0.000 0.449 298 F N 1.736 121.637 119.950 -0.082 0.000 2.087 298 F HA -0.327 4.200 4.527 -0.000 0.000 0.299 298 F C 1.878 177.533 175.800 -0.241 0.000 1.100 298 F CA 1.864 59.736 58.000 -0.214 0.000 1.226 298 F CB 0.046 38.911 39.000 -0.225 0.000 0.983 298 F HN -0.069 nan 8.300 nan 0.000 0.479 299 K N 0.025 120.396 120.400 -0.048 0.000 2.097 299 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 299 K C 1.971 178.564 176.600 -0.012 0.000 1.050 299 K CA 1.083 57.337 56.287 -0.054 0.000 0.938 299 K CB -0.459 32.099 32.500 0.098 0.000 0.718 299 K HN 0.323 nan 8.250 nan 0.000 0.442 300 A N 0.630 123.438 122.820 -0.020 0.000 2.235 300 A HA 0.005 4.324 4.320 -0.000 0.000 0.208 300 A C 0.999 178.553 177.584 -0.050 0.000 1.172 300 A CA 0.835 52.864 52.037 -0.014 0.000 0.786 300 A CB -0.124 18.873 19.000 -0.004 0.000 0.804 300 A HN 0.189 nan 8.150 nan 0.000 0.479 301 N N -2.007 116.629 118.700 -0.106 0.000 3.166 301 N HA 0.083 4.823 4.740 -0.000 0.000 0.242 301 N C -0.128 175.287 175.510 -0.157 0.000 1.017 301 N CA -0.201 52.769 53.050 -0.133 0.000 1.113 301 N CB -0.497 37.895 38.487 -0.159 0.000 1.629 301 N HN 0.284 nan 8.380 nan 0.000 0.601 302 Y N 2.337 122.354 120.300 -0.471 0.000 3.119 302 Y HA 0.076 4.626 4.550 -0.000 0.000 0.348 302 Y C 1.490 177.269 175.900 -0.201 0.000 1.267 302 Y CA 1.570 59.359 58.100 -0.518 0.000 1.578 302 Y CB -0.175 37.613 38.460 -1.121 0.000 1.198 302 Y HN 0.556 nan 8.280 nan 0.000 0.615 303 G N 3.401 111.907 108.800 -0.491 0.000 2.272 303 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.280 303 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.280 303 G C -0.196 174.614 174.900 -0.151 0.000 1.067 303 G CA 0.363 45.300 45.100 -0.270 0.000 0.902 303 G HN 0.984 nan 8.290 nan 0.000 0.500 304 S N -0.562 115.033 115.700 -0.174 0.000 2.647 304 S HA 0.687 5.157 4.470 -0.000 0.000 0.300 304 S C 0.677 175.209 174.600 -0.113 0.000 1.129 304 S CA 0.484 58.616 58.200 -0.112 0.000 1.029 304 S CB 1.039 64.182 63.200 -0.094 0.000 1.007 304 S HN 1.694 nan 8.310 nan 0.000 0.484 305 G N 3.383 112.133 108.800 -0.082 0.000 2.254 305 G HA2 0.416 4.376 3.960 -0.000 0.000 0.253 305 G HA3 0.416 4.376 3.960 -0.000 0.000 0.253 305 G C -0.439 174.419 174.900 -0.071 0.000 1.246 305 G CA 0.320 45.377 45.100 -0.072 0.000 0.946 305 G HN 0.742 nan 8.290 nan 0.000 0.474 306 D N -0.067 120.287 120.400 -0.078 0.000 2.926 306 D HA 0.048 4.688 4.640 -0.000 0.000 0.272 306 D C 1.020 177.275 176.300 -0.076 0.000 1.172 306 D CA 0.094 54.051 54.000 -0.072 0.000 0.731 306 D CB 0.710 41.463 40.800 -0.079 0.000 1.282 306 D HN 0.359 nan 8.370 nan 0.000 0.430 307 S N 0.272 115.933 115.700 -0.065 0.000 2.468 307 S HA 0.026 4.495 4.470 -0.000 0.000 0.226 307 S C 1.308 175.868 174.600 -0.068 0.000 1.051 307 S CA 0.533 58.695 58.200 -0.062 0.000 0.943 307 S CB 0.131 63.303 63.200 -0.047 0.000 0.810 307 S HN 0.586 nan 8.310 nan 0.000 0.509 308 E N 1.439 121.601 120.200 -0.064 0.000 2.290 308 E HA 0.244 4.594 4.350 -0.000 0.000 0.197 308 E C 1.734 178.286 176.600 -0.079 0.000 0.948 308 E CA 0.036 56.398 56.400 -0.063 0.000 0.895 308 E CB -0.136 29.535 29.700 -0.048 0.000 0.865 308 E HN 0.295 nan 8.360 nan 0.000 0.486 309 K N 0.871 121.219 120.400 -0.087 0.000 2.305 309 K HA 0.064 4.384 4.320 -0.000 0.000 0.199 309 K C 1.668 178.182 176.600 -0.144 0.000 1.047 309 K CA 0.402 56.626 56.287 -0.105 0.000 0.976 309 K CB 0.444 32.886 32.500 -0.096 0.000 0.765 309 K HN -0.042 nan 8.250 nan 0.000 0.474 310 V N 0.316 120.141 119.914 -0.149 0.000 3.461 310 V HA -0.027 4.093 4.120 -0.000 0.000 0.267 310 V C 1.558 177.540 176.094 -0.186 0.000 1.186 310 V CA 1.381 63.570 62.300 -0.185 0.000 1.154 310 V CB 0.235 31.956 31.823 -0.170 0.000 0.802 310 V HN 0.279 nan 8.190 nan 0.000 0.474 311 A N -0.668 122.063 122.820 -0.149 0.000 2.167 311 A HA 0.074 4.394 4.320 -0.000 0.000 0.208 311 A C 2.204 179.708 177.584 -0.132 0.000 1.198 311 A CA 1.035 52.993 52.037 -0.132 0.000 0.863 311 A CB -0.151 18.797 19.000 -0.087 0.000 0.904 311 A HN 0.407 nan 8.150 nan 0.000 0.484 312 T N -0.211 114.261 114.554 -0.136 0.000 2.732 312 T HA -0.097 4.253 4.350 -0.000 0.000 0.261 312 T C 1.856 176.434 174.700 -0.204 0.000 1.040 312 T CA 1.534 63.558 62.100 -0.128 0.000 1.145 312 T CB -0.421 68.386 68.868 -0.102 0.000 0.866 312 T HN 0.062 nan 8.240 nan 0.000 0.427 313 V N 1.622 121.372 119.914 -0.273 0.000 2.370 313 V HA -0.232 3.888 4.120 -0.000 0.000 0.252 313 V C 2.516 178.183 176.094 -0.712 0.000 1.068 313 V CA 1.862 63.897 62.300 -0.442 0.000 1.061 313 V CB -0.558 31.065 31.823 -0.334 0.000 0.656 313 V HN 0.351 nan 8.190 nan 0.000 0.455 314 R N -0.872 119.343 120.500 -0.476 0.000 2.275 314 R HA -0.010 4.330 4.340 -0.000 0.000 0.199 314 R C 2.363 178.596 176.300 -0.111 0.000 0.989 314 R CA 0.541 56.409 56.100 -0.385 0.000 1.016 314 R CB -0.071 30.047 30.300 -0.303 0.000 0.918 314 R HN 0.407 nan 8.270 nan 0.000 0.473 315 R N 0.418 120.841 120.500 -0.128 0.000 2.055 315 R HA -0.033 4.307 4.340 -0.000 0.000 0.221 315 R C 2.072 178.390 176.300 0.030 0.000 1.154 315 R CA 1.120 57.213 56.100 -0.010 0.000 0.975 315 R CB -0.189 30.097 30.300 -0.024 0.000 0.869 315 R HN 0.217 nan 8.270 nan 0.000 0.437 316 L N -0.939 120.257 121.223 -0.045 0.000 2.187 316 L HA -0.134 4.206 4.340 -0.000 0.000 0.213 316 L C 2.180 179.181 176.870 0.220 0.000 1.100 316 L CA 1.524 56.412 54.840 0.080 0.000 0.765 316 L CB -1.110 40.976 42.059 0.045 0.000 0.904 316 L HN 0.174 nan 8.230 nan 0.000 0.437 317 Y N 0.706 120.995 120.300 -0.018 0.000 2.097 317 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 317 Y C 2.768 178.763 175.900 0.158 0.000 1.152 317 Y CA 1.183 59.351 58.100 0.113 0.000 1.136 317 Y CB -0.139 38.468 38.460 0.245 0.000 0.975 317 Y HN 0.248 nan 8.280 nan 0.000 0.498 318 E N 0.272 120.663 120.200 0.318 0.000 2.051 318 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 318 E C 1.972 178.658 176.600 0.144 0.000 0.991 318 E CA 1.437 57.945 56.400 0.181 0.000 0.799 318 E CB -0.001 29.789 29.700 0.149 0.000 0.748 318 E HN 0.505 nan 8.360 nan 0.000 0.449 319 E N -0.043 120.249 120.200 0.154 0.000 2.106 319 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 319 E C 1.767 178.455 176.600 0.145 0.000 0.984 319 E CA 0.952 57.429 56.400 0.130 0.000 0.806 319 E CB -0.067 29.707 29.700 0.124 0.000 0.750 319 E HN 0.204 nan 8.360 nan 0.000 0.458 320 A N 1.663 124.617 122.820 0.224 0.000 2.238 320 A HA -0.056 4.264 4.320 -0.000 0.000 0.208 320 A C 0.463 178.122 177.584 0.125 0.000 1.177 320 A CA 0.577 52.732 52.037 0.196 0.000 0.804 320 A CB -0.155 19.067 19.000 0.371 0.000 0.823 320 A HN 0.208 nan 8.150 nan 0.000 0.482 321 D N -1.225 119.247 120.400 0.120 0.000 2.699 321 D HA -0.170 4.470 4.640 -0.000 0.000 0.239 321 D C 0.591 176.944 176.300 0.088 0.000 1.136 321 D CA 0.757 54.808 54.000 0.085 0.000 0.668 321 D CB -1.694 39.142 40.800 0.060 0.000 1.060 321 D HN 0.447 nan 8.370 nan 0.000 0.429 322 L N -0.175 121.108 121.223 0.101 0.000 2.191 322 L HA -0.178 4.161 4.340 -0.000 0.000 0.212 322 L C 2.487 179.458 176.870 0.168 0.000 1.103 322 L CA 1.073 55.965 54.840 0.088 0.000 0.769 322 L CB -0.441 41.622 42.059 0.007 0.000 0.908 322 L HN 0.336 nan 8.230 nan 0.000 0.438 323 Q N -0.154 119.697 119.800 0.085 0.000 2.234 323 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 323 Q C 2.111 178.185 176.000 0.124 0.000 0.980 323 Q CA 1.642 57.476 55.803 0.051 0.000 0.869 323 Q CB -0.123 28.593 28.738 -0.037 0.000 0.912 323 Q HN 0.618 nan 8.270 nan 0.000 0.436 324 G N 0.043 108.918 108.800 0.125 0.000 2.656 324 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.211 324 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.211 324 G C 0.751 175.752 174.900 0.168 0.000 1.137 324 G CA 0.131 45.302 45.100 0.118 0.000 0.802 324 G HN 0.213 nan 8.290 nan 0.000 0.527 325 D N 0.007 120.538 120.400 0.219 0.000 2.123 325 D HA -0.148 4.491 4.640 -0.000 0.000 0.196 325 D C 1.798 178.378 176.300 0.466 0.000 0.992 325 D CA 0.767 54.951 54.000 0.307 0.000 0.833 325 D CB -0.256 40.713 40.800 0.281 0.000 0.954 325 D HN 0.304 nan 8.370 nan 0.000 0.455 326 Y N 1.588 122.107 120.300 0.365 0.000 2.036 326 Y HA -0.262 4.288 4.550 -0.000 0.000 0.273 326 Y C 2.352 178.327 175.900 0.124 0.000 1.135 326 Y CA 1.088 59.263 58.100 0.124 0.000 1.106 326 Y CB -0.804 37.645 38.460 -0.018 0.000 0.976 326 Y HN -0.183 nan 8.280 nan 0.000 0.483 327 V N 0.626 120.568 119.914 0.047 0.000 2.277 327 V HA -0.467 3.652 4.120 -0.000 0.000 0.255 327 V C 2.581 178.646 176.094 -0.049 0.000 1.074 327 V CA 2.397 64.673 62.300 -0.039 0.000 1.058 327 V CB -1.640 30.215 31.823 0.053 0.000 0.656 327 V HN 0.640 nan 8.190 nan 0.000 0.449 328 A N -1.850 120.994 122.820 0.040 0.000 1.970 328 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 328 A C 2.071 179.688 177.584 0.055 0.000 1.170 328 A CA 1.642 53.711 52.037 0.053 0.000 0.645 328 A CB -0.614 18.443 19.000 0.095 0.000 0.816 328 A HN 0.687 nan 8.150 nan 0.000 0.447 329 Y N 1.168 121.445 120.300 -0.038 0.000 2.133 329 Y HA -0.205 4.345 4.550 -0.000 0.000 0.287 329 Y C 2.383 178.222 175.900 -0.102 0.000 1.134 329 Y CA 2.133 60.205 58.100 -0.047 0.000 1.133 329 Y CB -0.413 38.009 38.460 -0.063 0.000 0.987 329 Y HN 0.504 nan 8.280 nan 0.000 0.502 330 E N 0.777 120.704 120.200 -0.455 0.000 2.097 330 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 330 E C 2.143 178.638 176.600 -0.175 0.000 1.000 330 E CA 1.653 57.850 56.400 -0.339 0.000 0.804 330 E CB -0.480 29.027 29.700 -0.321 0.000 0.740 330 E HN 0.556 nan 8.360 nan 0.000 0.454 331 A N 1.523 124.273 122.820 -0.116 0.000 1.898 331 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 331 A C 2.499 180.012 177.584 -0.118 0.000 1.181 331 A CA 2.021 54.026 52.037 -0.054 0.000 0.620 331 A CB -0.779 18.206 19.000 -0.024 0.000 0.819 331 A HN 0.455 nan 8.150 nan 0.000 0.442 332 A N -0.542 122.192 122.820 -0.144 0.000 1.933 332 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 332 A C 2.223 179.671 177.584 -0.227 0.000 1.175 332 A CA 1.773 53.724 52.037 -0.143 0.000 0.628 332 A CB -0.841 18.110 19.000 -0.082 0.000 0.814 332 A HN 0.362 nan 8.150 nan 0.000 0.444 333 V N -0.149 119.556 119.914 -0.349 0.000 2.270 333 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 333 V C 3.060 178.882 176.094 -0.453 0.000 1.043 333 V CA 1.888 63.934 62.300 -0.424 0.000 1.014 333 V CB -1.319 30.176 31.823 -0.546 0.000 0.645 333 V HN 0.599 nan 8.190 nan 0.000 0.447 334 A N 0.191 122.801 122.820 -0.351 0.000 2.032 334 A HA -0.284 4.036 4.320 -0.000 0.000 0.221 334 A C 2.307 179.677 177.584 -0.357 0.000 1.165 334 A CA 2.139 53.969 52.037 -0.346 0.000 0.645 334 A CB -0.449 18.354 19.000 -0.329 0.000 0.807 334 A HN 0.752 nan 8.150 nan 0.000 0.453 335 E N -0.753 119.284 120.200 -0.272 0.000 2.140 335 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 335 E C 1.977 178.428 176.600 -0.248 0.000 0.973 335 E CA 0.927 57.196 56.400 -0.219 0.000 0.829 335 E CB -0.422 29.191 29.700 -0.145 0.000 0.781 335 E HN 0.730 nan 8.360 nan 0.000 0.466 336 Q N 0.591 120.227 119.800 -0.274 0.000 2.119 336 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 336 Q C 2.336 178.125 176.000 -0.352 0.000 0.972 336 Q CA 1.320 56.965 55.803 -0.264 0.000 0.847 336 Q CB 0.241 28.837 28.738 -0.237 0.000 0.903 336 Q HN 0.185 nan 8.270 nan 0.000 0.433 337 V N 0.836 120.431 119.914 -0.531 0.000 2.261 337 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 337 V C 2.222 177.977 176.094 -0.564 0.000 1.047 337 V CA 2.000 63.866 62.300 -0.723 0.000 1.015 337 V CB -0.445 30.539 31.823 -1.398 0.000 0.642 337 V HN 0.275 nan 8.190 nan 0.000 0.446 338 K N 0.244 120.343 120.400 -0.501 0.000 2.144 338 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 338 K C 1.979 178.441 176.600 -0.229 0.000 1.047 338 K CA 2.015 58.113 56.287 -0.316 0.000 0.927 338 K CB -0.270 32.093 32.500 -0.228 0.000 0.716 338 K HN 0.634 nan 8.250 nan 0.000 0.454 339 E N -0.409 119.659 120.200 -0.220 0.000 2.028 339 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 339 E C 2.064 178.573 176.600 -0.152 0.000 0.984 339 E CA 1.334 57.637 56.400 -0.161 0.000 0.800 339 E CB -0.158 29.455 29.700 -0.146 0.000 0.758 339 E HN 0.210 nan 8.360 nan 0.000 0.448 340 L N 1.073 122.184 121.223 -0.187 0.000 2.131 340 L HA -0.192 4.147 4.340 -0.000 0.000 0.210 340 L C 2.422 179.205 176.870 -0.146 0.000 1.092 340 L CA 0.913 55.657 54.840 -0.159 0.000 0.759 340 L CB -0.321 41.625 42.059 -0.188 0.000 0.903 340 L HN 0.166 nan 8.230 nan 0.000 0.435 341 I N -0.542 119.915 120.570 -0.188 0.000 2.286 341 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 341 I C 2.476 178.533 176.117 -0.099 0.000 1.115 341 I CA 1.033 62.240 61.300 -0.154 0.000 1.392 341 I CB -0.329 37.562 38.000 -0.182 0.000 1.065 341 I HN 0.322 nan 8.210 nan 0.000 0.418 342 E N 1.243 121.384 120.200 -0.098 0.000 2.106 342 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 342 E C 2.029 178.599 176.600 -0.050 0.000 0.984 342 E CA 0.961 57.321 56.400 -0.067 0.000 0.806 342 E CB -0.214 29.446 29.700 -0.067 0.000 0.750 342 E HN 0.535 nan 8.360 nan 0.000 0.458 343 K N 0.359 120.725 120.400 -0.057 0.000 2.209 343 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 343 K C 2.007 178.596 176.600 -0.018 0.000 1.048 343 K CA 0.488 56.752 56.287 -0.039 0.000 0.940 343 K CB -0.031 32.442 32.500 -0.045 0.000 0.729 343 K HN -0.006 nan 8.250 nan 0.000 0.451 344 L N 1.154 122.369 121.223 -0.014 0.000 2.179 344 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 344 L C 2.193 179.086 176.870 0.038 0.000 1.096 344 L CA 1.342 56.202 54.840 0.032 0.000 0.779 344 L CB -0.271 41.816 42.059 0.046 0.000 0.922 344 L HN -0.005 nan 8.230 nan 0.000 0.443 345 R N -1.459 119.045 120.500 0.006 0.000 2.115 345 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 345 R C 1.937 178.242 176.300 0.009 0.000 1.111 345 R CA 0.820 56.925 56.100 0.007 0.000 0.976 345 R CB -0.184 30.109 30.300 -0.012 0.000 0.870 345 R HN 0.199 nan 8.270 nan 0.000 0.445 346 L N -0.991 120.234 121.223 0.002 0.000 2.349 346 L HA -0.223 4.117 4.340 -0.000 0.000 0.220 346 L C 1.470 178.342 176.870 0.004 0.000 1.130 346 L CA 1.449 56.288 54.840 -0.001 0.000 0.791 346 L CB -0.008 42.047 42.059 -0.007 0.000 0.918 346 L HN 0.325 nan 8.230 nan 0.000 0.444 347 C N -3.648 115.660 119.300 0.013 0.000 3.505 347 C HA 0.209 4.669 4.460 -0.000 0.000 0.571 347 C C 1.091 176.095 174.990 0.024 0.000 1.337 347 C CA -0.090 58.935 59.018 0.011 0.000 2.562 347 C CB 0.123 27.865 27.740 0.002 0.000 3.703 347 C HN 0.328 nan 8.230 nan 0.000 0.526 348 S N 2.142 117.874 115.700 0.052 0.000 2.217 348 S HA 0.221 4.691 4.470 -0.000 0.000 0.168 348 S C -1.972 172.701 174.600 0.121 0.000 1.526 348 S CA -0.577 57.680 58.200 0.096 0.000 1.150 348 S CB 0.433 63.715 63.200 0.137 0.000 1.158 348 S HN 0.452 nan 8.310 nan 0.000 0.473 349 P HA -0.025 nan 4.420 nan 0.000 0.216 349 P C 1.802 179.131 177.300 0.048 0.000 1.153 349 P CA 1.101 64.227 63.100 0.044 0.000 0.844 349 P CB -0.199 31.515 31.700 0.024 0.000 0.787 350 G N -0.213 108.625 108.800 0.064 0.000 2.446 350 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 350 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 350 G C 1.446 176.402 174.900 0.093 0.000 1.168 350 G CA 0.537 45.675 45.100 0.063 0.000 0.771 350 G HN 0.139 nan 8.290 nan 0.000 0.551 351 F N 2.549 122.490 119.950 -0.015 0.000 2.069 351 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 351 F C 2.847 178.637 175.800 -0.017 0.000 1.113 351 F CA 1.373 59.363 58.000 -0.017 0.000 1.214 351 F CB -0.557 38.431 39.000 -0.019 0.000 0.978 351 F HN 0.233 nan 8.300 nan 0.000 0.474 352 A N 0.031 122.843 122.820 -0.013 0.000 1.978 352 A HA -0.074 4.245 4.320 -0.000 0.000 0.220 352 A C 2.384 179.874 177.584 -0.156 0.000 1.170 352 A CA 1.851 53.815 52.037 -0.122 0.000 0.636 352 A CB -1.488 17.498 19.000 -0.024 0.000 0.810 352 A HN 0.520 nan 8.150 nan 0.000 0.448 353 A N 0.318 123.077 122.820 -0.100 0.000 1.872 353 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 353 A C 2.455 179.977 177.584 -0.103 0.000 1.187 353 A CA 2.017 54.008 52.037 -0.076 0.000 0.614 353 A CB -1.022 17.956 19.000 -0.037 0.000 0.826 353 A HN 0.965 nan 8.150 nan 0.000 0.442 354 S N -0.168 115.447 115.700 -0.142 0.000 2.440 354 S HA -0.115 4.354 4.470 -0.000 0.000 0.238 354 S C 1.579 176.075 174.600 -0.173 0.000 1.010 354 S CA 1.460 59.574 58.200 -0.144 0.000 0.972 354 S CB -0.713 62.397 63.200 -0.150 0.000 0.774 354 S HN 0.244 nan 8.310 nan 0.000 0.501 355 V N 1.466 121.222 119.914 -0.262 0.000 2.788 355 V HA -0.005 4.115 4.120 -0.000 0.000 0.251 355 V C 2.657 178.717 176.094 -0.056 0.000 1.068 355 V CA 1.615 63.782 62.300 -0.220 0.000 1.090 355 V CB -0.653 30.947 31.823 -0.371 0.000 0.710 355 V HN 0.504 nan 8.190 nan 0.000 0.467 356 E N 0.213 120.385 120.200 -0.046 0.000 2.072 356 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 356 E C 2.282 178.918 176.600 0.060 0.000 0.985 356 E CA 1.680 58.108 56.400 0.048 0.000 0.801 356 E CB -0.097 29.608 29.700 0.007 0.000 0.750 356 E HN 0.516 nan 8.360 nan 0.000 0.452 357 T N 1.138 115.693 114.554 0.002 0.000 2.720 357 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 357 T C 1.715 176.426 174.700 0.018 0.000 1.037 357 T CA 1.228 63.325 62.100 -0.005 0.000 1.144 357 T CB -0.268 68.583 68.868 -0.028 0.000 0.864 357 T HN 0.118 nan 8.240 nan 0.000 0.444 358 L N 0.530 121.775 121.223 0.037 0.000 2.046 358 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 358 L C 2.127 179.120 176.870 0.205 0.000 1.077 358 L CA 1.691 56.589 54.840 0.097 0.000 0.747 358 L CB -0.798 41.318 42.059 0.096 0.000 0.896 358 L HN 0.518 nan 8.230 nan 0.000 0.432 359 W N 0.397 121.684 121.300 -0.022 0.000 2.355 359 W HA -0.162 4.498 4.660 -0.000 0.000 0.309 359 W C 1.899 178.421 176.519 0.006 0.000 1.206 359 W CA 1.090 58.404 57.345 -0.052 0.000 1.284 359 W CB -0.451 28.916 29.460 -0.155 0.000 1.145 359 W HN 0.350 nan 8.180 nan 0.000 0.502 360 G N 0.798 109.508 108.800 -0.149 0.000 2.527 360 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 360 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 360 G C 1.303 176.114 174.900 -0.149 0.000 1.117 360 G CA 0.684 45.648 45.100 -0.226 0.000 0.759 360 G HN 0.087 nan 8.290 nan 0.000 0.556 361 K N -0.058 120.303 120.400 -0.064 0.000 2.353 361 K HA 0.166 4.486 4.320 -0.000 0.000 0.195 361 K C 2.060 178.688 176.600 0.047 0.000 1.031 361 K CA 0.378 56.659 56.287 -0.010 0.000 1.079 361 K CB 0.091 32.599 32.500 0.014 0.000 0.857 361 K HN 0.199 nan 8.250 nan 0.000 0.535 362 T N 0.115 114.691 114.554 0.037 0.000 2.904 362 T HA -0.027 4.323 4.350 -0.000 0.000 0.243 362 T C 1.459 176.209 174.700 0.083 0.000 1.024 362 T CA 0.382 62.595 62.100 0.188 0.000 1.158 362 T CB -0.468 68.611 68.868 0.352 0.000 0.867 362 T HN 0.007 nan 8.240 nan 0.000 0.429 363 Y N 2.415 122.358 120.300 -0.596 0.000 2.081 363 Y HA -0.035 4.515 4.550 -0.000 0.000 0.280 363 Y C 1.115 176.883 175.900 -0.220 0.000 1.163 363 Y CA 1.165 58.908 58.100 -0.596 0.000 1.135 363 Y CB -0.298 37.457 38.460 -1.175 0.000 0.970 363 Y HN 0.038 nan 8.280 nan 0.000 0.498 364 K N 1.603 121.904 120.400 -0.165 0.000 2.480 364 K HA 0.081 4.401 4.320 -0.000 0.000 0.241 364 K C -0.277 176.275 176.600 -0.080 0.000 1.261 364 K CA 0.074 56.279 56.287 -0.137 0.000 1.193 364 K CB -0.166 32.274 32.500 -0.100 0.000 1.598 364 K HN 0.098 nan 8.250 nan 0.000 0.278 365 R N 1.622 122.077 120.500 -0.075 0.000 2.409 365 R HA 0.091 4.431 4.340 -0.000 0.000 0.313 365 R C -0.009 176.250 176.300 -0.068 0.000 0.953 365 R CA -0.083 55.990 56.100 -0.044 0.000 0.849 365 R CB 1.020 31.312 30.300 -0.013 0.000 1.171 365 R HN 0.353 nan 8.270 nan 0.000 0.458 366 Q N 2.228 121.994 119.800 -0.057 0.000 2.126 366 Q HA 0.093 4.433 4.340 -0.000 0.000 0.233 366 Q C 0.121 176.093 176.000 -0.047 0.000 0.788 366 Q CA -0.198 55.571 55.803 -0.057 0.000 0.968 366 Q CB 0.614 29.322 28.738 -0.051 0.000 1.163 366 Q HN 0.471 nan 8.270 nan 0.000 0.471 367 K N 0.000 120.375 120.400 -0.041 0.000 2.780 367 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 367 K CA 0.000 56.267 56.287 -0.033 0.000 0.838 367 K CB 0.000 32.488 32.500 -0.020 0.000 1.064 367 K HN 0.000 nan 8.250 nan 0.000 0.543