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 3iha_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRHPIPDYLA SLVTELGAVN PGETAQYIPV LAEADPDRFG IALATPTGRL DATA SEQUENCE HCAGDADVEF TIQSASKPFT YAAALVDRGF AAVDRQVGLN PSGEAFNELS DATA SEQUENCE LEAESHRPDN AMINAGALAV HQLLVGPEAS RKERLDRAVE IMSLLAGRRL DATA SEQUENCE SVDWETYESE MAVSDRNLSL AHMLRSYGVL QDSAEEIVAG YVAQCAVLVT DATA SEQUENCE VKDLAVMGAC LATGGIHPMT GERMLPSIVA RRVVSVMTSS GMYDAAGQWL DATA SEQUENCE ADVGIPAKSG VAGGVLGALP GRVGIGVFSP RLDEVGNSAR GVLACRRLSE DATA SEQUENCE DFRLHLMDGD SLGGTAVRFV EREGDRVFLH LQGVIRFGGA EAVLDALTDL DATA SEQUENCE RTXXXXXXXX WDAAVYPRWQ EAAADRAALS AATGGGAVHE AAAAAARDXX DATA SEQUENCE DGPIRTVVLN LARVDRIDDV GRRLIAEGVR RLQADGVRVE VEDPERIL 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 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 2 R N 2.600 123.109 120.500 0.016 0.000 2.428 2 R HA 0.505 4.845 4.340 -0.001 0.000 0.294 2 R C -0.224 176.106 176.300 0.051 0.000 1.000 2 R CA -0.860 55.269 56.100 0.048 0.000 0.960 2 R CB 0.897 31.230 30.300 0.055 0.000 1.076 2 R HN 0.629 nan 8.270 nan 0.000 0.475 3 H N 4.305 123.382 119.070 0.013 0.000 3.125 3 H HA 0.000 4.556 4.556 -0.001 0.000 0.310 3 H C -1.361 173.944 175.328 -0.038 0.000 0.980 3 H CA -1.200 54.836 56.048 -0.019 0.000 1.422 3 H CB 1.226 30.978 29.762 -0.017 0.000 1.432 3 H HN 0.544 nan 8.280 nan 0.000 0.577 4 P HA -0.090 nan 4.420 nan 0.000 0.223 4 P C 1.758 179.154 177.300 0.161 0.000 1.151 4 P CA 0.709 63.876 63.100 0.112 0.000 0.787 4 P CB 0.452 32.177 31.700 0.041 0.000 0.788 5 I N 1.885 122.541 120.570 0.144 0.000 2.142 5 I HA -0.121 4.049 4.170 -0.001 0.000 0.240 5 I C -0.304 175.861 176.117 0.081 0.000 1.078 5 I CA 1.671 62.975 61.300 0.008 0.000 1.343 5 I CB -2.044 35.673 38.000 -0.471 0.000 1.046 5 I HN 0.019 nan 8.210 nan 0.000 0.405 6 P HA -0.131 nan 4.420 nan 0.000 0.225 6 P C 0.583 177.939 177.300 0.094 0.000 1.148 6 P CA 1.493 64.645 63.100 0.087 0.000 0.779 6 P CB -0.091 31.668 31.700 0.098 0.000 0.780 7 D N -1.294 119.174 120.400 0.112 0.000 2.123 7 D HA -0.157 4.483 4.640 -0.001 0.000 0.200 7 D C 1.887 178.257 176.300 0.115 0.000 0.976 7 D CA 0.877 54.935 54.000 0.097 0.000 0.831 7 D CB -0.838 40.023 40.800 0.101 0.000 0.974 7 D HN 0.121 nan 8.370 nan 0.000 0.469 8 Y N 0.978 121.311 120.300 0.055 0.000 2.242 8 Y HA -0.073 4.476 4.550 -0.001 0.000 0.291 8 Y C 1.713 177.624 175.900 0.018 0.000 1.137 8 Y CA 1.199 59.327 58.100 0.046 0.000 1.181 8 Y CB -0.152 38.383 38.460 0.125 0.000 0.989 8 Y HN -0.043 nan 8.280 nan 0.000 0.527 9 L N -0.527 120.740 121.223 0.073 0.000 2.141 9 L HA -0.156 4.183 4.340 -0.001 0.000 0.209 9 L C 2.658 179.442 176.870 -0.143 0.000 1.094 9 L CA 1.002 55.817 54.840 -0.041 0.000 0.763 9 L CB -0.823 41.281 42.059 0.075 0.000 0.908 9 L HN 0.332 nan 8.230 nan 0.000 0.437 10 A N -0.804 121.961 122.820 -0.093 0.000 1.970 10 A HA -0.101 4.219 4.320 -0.001 0.000 0.216 10 A C 2.480 179.977 177.584 -0.145 0.000 1.170 10 A CA 1.491 53.464 52.037 -0.107 0.000 0.645 10 A CB -0.301 18.670 19.000 -0.048 0.000 0.816 10 A HN 0.331 nan 8.150 nan 0.000 0.447 11 S N -0.340 115.260 115.700 -0.166 0.000 2.383 11 S HA -0.090 4.379 4.470 -0.001 0.000 0.227 11 S C 1.804 176.260 174.600 -0.241 0.000 1.026 11 S CA 1.273 59.367 58.200 -0.178 0.000 0.981 11 S CB -0.327 62.769 63.200 -0.174 0.000 0.818 11 S HN 0.421 nan 8.310 nan 0.000 0.472 12 L N 1.814 122.811 121.223 -0.376 0.000 2.056 12 L HA 0.006 4.346 4.340 -0.001 0.000 0.207 12 L C 2.214 178.952 176.870 -0.219 0.000 1.078 12 L CA 1.409 56.047 54.840 -0.337 0.000 0.749 12 L CB -0.692 41.102 42.059 -0.443 0.000 0.901 12 L HN 0.111 nan 8.230 nan 0.000 0.433 13 V N -0.969 118.745 119.914 -0.333 0.000 2.343 13 V HA -0.303 3.816 4.120 -0.001 0.000 0.247 13 V C 2.392 178.376 176.094 -0.184 0.000 1.051 13 V CA 2.249 64.239 62.300 -0.518 0.000 1.036 13 V CB -0.869 30.635 31.823 -0.532 0.000 0.654 13 V HN 0.520 nan 8.190 nan 0.000 0.451 14 T N -1.120 113.363 114.554 -0.119 0.000 2.896 14 T HA -0.133 4.217 4.350 -0.001 0.000 0.263 14 T C 1.835 176.533 174.700 -0.005 0.000 1.050 14 T CA 1.330 63.406 62.100 -0.041 0.000 1.140 14 T CB -0.010 68.829 68.868 -0.048 0.000 0.877 14 T HN 0.585 nan 8.240 nan 0.000 0.457 15 E N 0.889 121.074 120.200 -0.025 0.000 2.016 15 E HA -0.036 4.313 4.350 -0.001 0.000 0.190 15 E C 2.026 178.652 176.600 0.043 0.000 0.985 15 E CA 0.811 57.206 56.400 -0.007 0.000 0.802 15 E CB -0.105 29.570 29.700 -0.042 0.000 0.762 15 E HN 0.396 nan 8.360 nan 0.000 0.448 16 L N -0.007 121.278 121.223 0.103 0.000 2.291 16 L HA 0.015 4.355 4.340 -0.001 0.000 0.214 16 L C 2.333 179.317 176.870 0.190 0.000 1.120 16 L CA 0.685 55.619 54.840 0.156 0.000 0.799 16 L CB -0.254 41.952 42.059 0.245 0.000 0.925 16 L HN 0.227 nan 8.230 nan 0.000 0.446 17 G N -0.431 108.550 108.800 0.301 0.000 2.848 17 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.208 17 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.208 17 G C 1.655 176.610 174.900 0.090 0.000 1.152 17 G CA 0.592 45.849 45.100 0.262 0.000 0.789 17 G HN 0.414 nan 8.290 nan 0.000 0.531 18 A N -0.243 122.610 122.820 0.055 0.000 2.067 18 A HA 0.368 4.687 4.320 -0.001 0.000 0.219 18 A C 1.335 178.920 177.584 0.001 0.000 1.158 18 A CA 1.489 53.539 52.037 0.021 0.000 0.661 18 A CB -0.275 18.732 19.000 0.012 0.000 0.801 18 A HN 0.842 nan 8.150 nan 0.000 0.452 19 V N -4.679 115.226 119.914 -0.015 0.000 3.156 19 V HA 0.784 4.903 4.120 -0.001 0.000 0.311 19 V C -0.601 175.448 176.094 -0.075 0.000 1.208 19 V CA -0.968 61.309 62.300 -0.038 0.000 1.063 19 V CB 1.884 33.684 31.823 -0.038 0.000 1.098 19 V HN 0.109 nan 8.190 nan 0.000 0.452 20 N N 1.528 120.178 118.700 -0.084 0.000 2.725 20 N HA 0.358 5.098 4.740 -0.001 0.000 0.225 20 N C -2.740 172.710 175.510 -0.100 0.000 1.465 20 N CA -0.627 52.350 53.050 -0.121 0.000 0.830 20 N CB 0.834 39.254 38.487 -0.111 0.000 1.460 20 N HN 0.806 nan 8.380 nan 0.000 0.538 21 P HA 0.407 nan 4.420 nan 0.000 0.271 21 P C 0.762 178.019 177.300 -0.072 0.000 1.244 21 P CA 0.604 63.663 63.100 -0.068 0.000 0.793 21 P CB 0.522 32.188 31.700 -0.056 0.000 0.984 22 G N 0.273 109.042 108.800 -0.052 0.000 2.632 22 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.224 22 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.224 22 G C -0.793 174.078 174.900 -0.047 0.000 1.341 22 G CA 0.275 45.347 45.100 -0.047 0.000 0.880 22 G HN 0.993 nan 8.290 nan 0.000 0.566 23 E N -2.200 117.974 120.200 -0.042 0.000 2.445 23 E HA 0.668 5.018 4.350 -0.001 0.000 0.279 23 E C 0.184 176.761 176.600 -0.037 0.000 1.018 23 E CA -0.340 56.036 56.400 -0.039 0.000 0.816 23 E CB 0.947 30.631 29.700 -0.026 0.000 1.356 23 E HN 1.252 nan 8.360 nan 0.000 0.462 24 T N -1.563 112.970 114.554 -0.035 0.000 2.754 24 T HA 0.534 4.883 4.350 -0.001 0.000 0.286 24 T C 0.667 175.358 174.700 -0.016 0.000 0.997 24 T CA -0.322 61.759 62.100 -0.030 0.000 0.982 24 T CB 0.814 69.662 68.868 -0.033 0.000 1.027 24 T HN 0.718 nan 8.240 nan 0.000 0.529 25 A N 1.629 124.443 122.820 -0.009 0.000 2.505 25 A HA 0.193 4.513 4.320 -0.001 0.000 0.271 25 A C 1.359 178.918 177.584 -0.041 0.000 1.112 25 A CA -0.522 51.526 52.037 0.019 0.000 0.781 25 A CB -0.210 18.817 19.000 0.044 0.000 1.059 25 A HN 0.783 nan 8.150 nan 0.000 0.508 26 Q N 2.084 121.892 119.800 0.013 0.000 2.403 26 Q HA -0.089 4.251 4.340 -0.001 0.000 0.203 26 Q C 1.207 177.223 176.000 0.027 0.000 0.932 26 Q CA 0.832 56.634 55.803 -0.002 0.000 0.945 26 Q CB -0.250 28.498 28.738 0.018 0.000 1.045 26 Q HN 1.105 nan 8.270 nan 0.000 0.511 27 Y N 0.947 121.244 120.300 -0.004 0.000 2.333 27 Y HA 0.025 4.575 4.550 -0.001 0.000 0.290 27 Y C 0.808 176.705 175.900 -0.005 0.000 1.144 27 Y CA 0.087 58.184 58.100 -0.005 0.000 1.228 27 Y CB -0.112 38.345 38.460 -0.005 0.000 0.985 27 Y HN 0.002 nan 8.280 nan 0.000 0.542 28 I N -3.316 116.980 120.570 -0.457 0.000 2.894 28 I HA 0.403 4.573 4.170 -0.001 0.000 0.302 28 I C -2.232 173.742 176.117 -0.237 0.000 1.188 28 I CA -2.665 58.432 61.300 -0.339 0.000 1.014 28 I CB 2.255 39.954 38.000 -0.502 0.000 1.242 28 I HN -0.410 nan 8.210 nan 0.000 0.430 29 P HA -0.146 nan 4.420 nan 0.000 0.216 29 P C 1.710 178.959 177.300 -0.084 0.000 1.153 29 P CA 1.111 64.162 63.100 -0.082 0.000 0.844 29 P CB 0.507 32.181 31.700 -0.044 0.000 0.787 30 V N -0.249 119.609 119.914 -0.092 0.000 2.453 30 V HA -0.203 3.916 4.120 -0.001 0.000 0.252 30 V C 2.430 178.483 176.094 -0.069 0.000 1.068 30 V CA 1.713 63.975 62.300 -0.064 0.000 1.070 30 V CB -0.901 30.890 31.823 -0.054 0.000 0.664 30 V HN -0.001 nan 8.190 nan 0.000 0.461 31 L N -0.938 120.205 121.223 -0.134 0.000 2.357 31 L HA 0.257 4.597 4.340 -0.001 0.000 0.211 31 L C 2.499 179.317 176.870 -0.088 0.000 1.075 31 L CA 0.914 55.688 54.840 -0.111 0.000 0.830 31 L CB -0.477 41.465 42.059 -0.195 0.000 0.996 31 L HN 0.311 nan 8.230 nan 0.000 0.467 32 A N -0.295 122.459 122.820 -0.110 0.000 2.121 32 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 32 A C 1.977 179.536 177.584 -0.041 0.000 1.154 32 A CA 1.192 53.187 52.037 -0.070 0.000 0.679 32 A CB -0.114 18.843 19.000 -0.070 0.000 0.795 32 A HN 0.301 nan 8.150 nan 0.000 0.458 33 E N -0.104 120.075 120.200 -0.035 0.000 2.290 33 E HA 0.261 4.610 4.350 -0.001 0.000 0.197 33 E C 1.110 177.709 176.600 -0.002 0.000 0.948 33 E CA 0.591 56.981 56.400 -0.016 0.000 0.895 33 E CB -0.842 28.850 29.700 -0.013 0.000 0.865 33 E HN 0.493 nan 8.360 nan 0.000 0.486 34 A N 2.588 125.412 122.820 0.007 0.000 2.624 34 A HA -0.139 4.180 4.320 -0.001 0.000 0.231 34 A C 0.182 177.783 177.584 0.028 0.000 1.034 34 A CA 0.296 52.354 52.037 0.035 0.000 0.754 34 A CB -0.244 18.794 19.000 0.065 0.000 0.953 34 A HN 0.056 nan 8.150 nan 0.000 0.509 35 D N 2.454 122.880 120.400 0.043 0.000 2.412 35 D HA 0.146 4.785 4.640 -0.001 0.000 0.257 35 D C -1.051 175.247 176.300 -0.002 0.000 1.217 35 D CA -1.058 52.957 54.000 0.024 0.000 0.897 35 D CB 0.705 41.530 40.800 0.040 0.000 1.132 35 D HN 0.251 nan 8.370 nan 0.000 0.493 36 P HA -0.019 nan 4.420 nan 0.000 0.241 36 P C 0.081 177.324 177.300 -0.095 0.000 1.191 36 P CA 0.319 63.375 63.100 -0.074 0.000 0.771 36 P CB 0.337 31.998 31.700 -0.065 0.000 0.929 37 D N -0.036 120.332 120.400 -0.053 0.000 2.519 37 D HA 0.096 4.735 4.640 -0.001 0.000 0.238 37 D C 0.435 176.720 176.300 -0.025 0.000 1.192 37 D CA -0.052 53.925 54.000 -0.038 0.000 0.835 37 D CB -0.087 40.708 40.800 -0.010 0.000 0.975 37 D HN 0.060 nan 8.370 nan 0.000 0.490 38 R N -0.124 120.324 120.500 -0.086 0.000 2.797 38 R HA 0.656 4.996 4.340 -0.001 0.000 0.251 38 R C -1.103 175.139 176.300 -0.098 0.000 1.107 38 R CA -0.871 55.185 56.100 -0.074 0.000 1.084 38 R CB 1.566 31.822 30.300 -0.073 0.000 1.205 38 R HN -0.013 nan 8.270 nan 0.000 0.515 39 F N -0.067 119.735 119.950 -0.247 0.000 3.255 39 F HA 0.322 4.848 4.527 -0.000 0.000 0.319 39 F C -1.443 174.338 175.800 -0.032 0.000 0.980 39 F CA -0.703 57.171 58.000 -0.211 0.000 1.387 39 F CB 0.511 39.423 39.000 -0.147 0.000 1.655 39 F HN 0.579 nan 8.300 nan 0.000 0.819 40 G N 4.773 113.728 108.800 0.259 0.000 2.600 40 G HA2 0.836 4.796 3.960 -0.001 0.000 0.303 40 G HA3 0.836 4.796 3.960 -0.001 0.000 0.303 40 G C -1.551 173.416 174.900 0.111 0.000 1.253 40 G CA -0.891 44.287 45.100 0.129 0.000 0.974 40 G HN 0.516 nan 8.290 nan 0.000 0.483 41 I N -0.132 120.466 120.570 0.047 0.000 2.722 41 I HA 0.599 4.769 4.170 -0.001 0.000 0.292 41 I C -0.375 175.801 176.117 0.097 0.000 1.267 41 I CA -0.906 60.443 61.300 0.081 0.000 1.036 41 I CB 2.307 40.309 38.000 0.002 0.000 1.281 41 I HN 0.753 nan 8.210 nan 0.000 0.423 42 A N 6.659 129.556 122.820 0.127 0.000 2.539 42 A HA 0.949 5.268 4.320 -0.001 0.000 0.296 42 A C -1.636 176.019 177.584 0.118 0.000 1.073 42 A CA -0.515 51.589 52.037 0.111 0.000 0.700 42 A CB 2.173 21.233 19.000 0.099 0.000 1.296 42 A HN 0.631 nan 8.150 nan 0.000 0.405 43 L N 1.129 122.413 121.223 0.102 0.000 2.438 43 L HA 0.678 5.018 4.340 -0.001 0.000 0.270 43 L C -0.114 176.759 176.870 0.005 0.000 0.972 43 L CA -0.630 54.268 54.840 0.097 0.000 0.831 43 L CB 1.982 44.145 42.059 0.173 0.000 1.273 43 L HN 0.908 nan 8.230 nan 0.000 0.405 44 A N 1.787 124.604 122.820 -0.005 0.000 2.303 44 A HA 0.724 5.043 4.320 -0.001 0.000 0.320 44 A C 0.153 177.709 177.584 -0.045 0.000 1.192 44 A CA -0.456 51.546 52.037 -0.058 0.000 0.821 44 A CB 1.173 20.150 19.000 -0.038 0.000 1.188 44 A HN 0.681 nan 8.150 nan 0.000 0.492 45 T N 0.435 114.939 114.554 -0.083 0.000 2.918 45 T HA 0.510 4.860 4.350 -0.001 0.000 0.283 45 T C -1.973 172.711 174.700 -0.028 0.000 1.001 45 T CA -1.604 60.472 62.100 -0.039 0.000 1.041 45 T CB 1.046 69.892 68.868 -0.037 0.000 1.028 45 T HN 0.249 nan 8.240 nan 0.000 0.511 46 P HA -0.030 nan 4.420 nan 0.000 0.218 46 P C 1.342 178.645 177.300 0.005 0.000 1.149 46 P CA 1.024 64.124 63.100 -0.001 0.000 0.817 46 P CB -0.245 31.459 31.700 0.007 0.000 0.785 47 T N -5.027 109.530 114.554 0.005 0.000 3.252 47 T HA 0.382 4.732 4.350 -0.001 0.000 0.250 47 T C 1.399 176.104 174.700 0.009 0.000 1.123 47 T CA 0.338 62.446 62.100 0.012 0.000 1.006 47 T CB -0.833 68.047 68.868 0.019 0.000 0.992 47 T HN 0.252 nan 8.240 nan 0.000 0.547 48 G N 1.194 109.994 108.800 -0.000 0.000 2.176 48 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.232 48 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.232 48 G C 0.173 175.051 174.900 -0.036 0.000 0.986 48 G CA -0.405 44.696 45.100 0.001 0.000 0.643 48 G HN 0.635 nan 8.290 nan 0.000 0.522 49 R N -0.874 119.577 120.500 -0.082 0.000 2.607 49 R HA 0.837 5.176 4.340 -0.001 0.000 0.261 49 R C -0.673 175.450 176.300 -0.295 0.000 1.051 49 R CA -0.663 55.331 56.100 -0.176 0.000 1.110 49 R CB 1.349 31.536 30.300 -0.188 0.000 1.158 49 R HN 0.416 nan 8.270 nan 0.000 0.543 50 L N 1.195 122.161 121.223 -0.429 0.000 2.639 50 L HA 0.304 4.644 4.340 -0.001 0.000 0.264 50 L C -1.516 175.111 176.870 -0.404 0.000 0.948 50 L CA -0.374 54.238 54.840 -0.379 0.000 0.912 50 L CB 1.414 43.382 42.059 -0.150 0.000 1.294 50 L HN 0.610 nan 8.230 nan 0.000 0.412 51 H N 3.498 122.544 119.070 -0.039 0.000 2.533 51 H HA 0.849 5.404 4.556 -0.001 0.000 0.343 51 H C -0.218 175.118 175.328 0.014 0.000 1.160 51 H CA -0.238 55.791 56.048 -0.030 0.000 1.218 51 H CB 1.836 31.564 29.762 -0.058 0.000 1.566 51 H HN 0.921 nan 8.280 nan 0.000 0.522 52 C N 0.069 119.452 119.300 0.138 0.000 3.295 52 C HA 0.953 5.412 4.460 -0.001 0.000 0.341 52 C C -1.089 173.937 174.990 0.059 0.000 1.418 52 C CA -0.379 58.693 59.018 0.090 0.000 1.240 52 C CB 1.021 28.800 27.740 0.065 0.000 1.562 52 C HN 1.139 nan 8.230 nan 0.000 0.457 53 A N 0.455 123.289 122.820 0.024 0.000 2.599 53 A HA 1.012 5.332 4.320 -0.001 0.000 0.294 53 A C 0.183 177.732 177.584 -0.058 0.000 1.055 53 A CA 0.849 52.873 52.037 -0.022 0.000 0.683 53 A CB 0.360 19.328 19.000 -0.055 0.000 1.278 53 A HN 3.374 nan 8.150 nan 0.000 0.412 54 G N 0.559 109.320 108.800 -0.065 0.000 2.645 54 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.246 54 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.246 54 G C -0.179 174.738 174.900 0.029 0.000 1.322 54 G CA 0.213 45.273 45.100 -0.066 0.000 0.898 54 G HN 1.080 nan 8.290 nan 0.000 0.573 55 D N 1.444 121.897 120.400 0.088 0.000 2.801 55 D HA 0.238 4.878 4.640 -0.001 0.000 0.249 55 D C 1.875 178.333 176.300 0.264 0.000 1.273 55 D CA 0.926 55.044 54.000 0.196 0.000 0.953 55 D CB -0.548 40.422 40.800 0.284 0.000 1.134 55 D HN 0.855 nan 8.370 nan 0.000 0.449 56 A N 0.156 123.075 122.820 0.166 0.000 2.248 56 A HA -0.124 4.195 4.320 -0.001 0.000 0.210 56 A C 1.628 179.288 177.584 0.126 0.000 1.174 56 A CA 0.702 52.838 52.037 0.164 0.000 0.750 56 A CB 0.275 19.336 19.000 0.103 0.000 0.780 56 A HN 0.049 nan 8.150 nan 0.000 0.478 57 D N -0.990 119.477 120.400 0.113 0.000 2.500 57 D HA 0.175 4.815 4.640 -0.001 0.000 0.217 57 D C -0.351 175.972 176.300 0.038 0.000 1.159 57 D CA 0.151 54.183 54.000 0.055 0.000 0.828 57 D CB 0.775 41.598 40.800 0.038 0.000 1.039 57 D HN 0.083 nan 8.370 nan 0.000 0.512 58 V N 1.908 121.883 119.914 0.102 0.000 2.555 58 V HA 0.091 4.211 4.120 -0.001 0.000 0.286 58 V C 0.714 176.763 176.094 -0.076 0.000 1.044 58 V CA -0.085 62.271 62.300 0.094 0.000 1.026 58 V CB 1.363 33.366 31.823 0.299 0.000 0.981 58 V HN -0.032 nan 8.190 nan 0.000 0.480 59 E N 4.131 124.252 120.200 -0.132 0.000 2.301 59 E HA 0.597 4.947 4.350 -0.001 0.000 0.275 59 E C -0.952 175.465 176.600 -0.306 0.000 1.030 59 E CA -0.199 56.003 56.400 -0.329 0.000 0.852 59 E CB 1.429 30.987 29.700 -0.236 0.000 1.060 59 E HN 0.584 nan 8.360 nan 0.000 0.401 60 F N -2.163 117.604 119.950 -0.305 0.000 2.686 60 F HA 0.401 4.927 4.527 -0.001 0.000 0.311 60 F C -0.448 175.254 175.800 -0.163 0.000 1.128 60 F CA -1.368 56.481 58.000 -0.251 0.000 0.946 60 F CB 0.344 39.080 39.000 -0.439 0.000 1.336 60 F HN 0.180 nan 8.300 nan 0.000 0.457 61 T N 0.320 114.946 114.554 0.120 0.000 2.901 61 T HA 0.253 4.602 4.350 -0.001 0.000 0.301 61 T C 1.027 175.847 174.700 0.201 0.000 1.012 61 T CA -0.371 61.760 62.100 0.053 0.000 1.135 61 T CB 1.196 70.095 68.868 0.051 0.000 0.936 61 T HN 0.861 nan 8.240 nan 0.000 0.539 62 I N 1.201 121.813 120.570 0.069 0.000 2.493 62 I HA -0.195 3.975 4.170 -0.001 0.000 0.254 62 I C 1.272 177.481 176.117 0.154 0.000 1.160 62 I CA 1.051 62.447 61.300 0.160 0.000 1.445 62 I CB -0.158 37.886 38.000 0.073 0.000 1.086 62 I HN 0.704 nan 8.210 nan 0.000 0.433 63 Q N -0.172 119.677 119.800 0.083 0.000 1.802 63 Q HA -0.379 3.960 4.340 -0.001 0.000 0.387 63 Q C 1.528 177.555 176.000 0.046 0.000 0.822 63 Q CA 1.965 57.800 55.803 0.055 0.000 0.840 63 Q CB -1.747 27.054 28.738 0.105 0.000 3.553 63 Q HN 0.400 nan 8.270 nan 0.000 0.735 64 S N 0.136 115.882 115.700 0.076 0.000 2.423 64 S HA 0.030 4.499 4.470 -0.001 0.000 0.231 64 S C 1.382 176.023 174.600 0.068 0.000 1.014 64 S CA 1.354 59.607 58.200 0.088 0.000 0.965 64 S CB -0.285 62.980 63.200 0.108 0.000 0.785 64 S HN 0.593 nan 8.310 nan 0.000 0.495 65 A N 0.956 123.823 122.820 0.078 0.000 2.263 65 A HA 0.046 4.366 4.320 -0.001 0.000 0.205 65 A C 1.967 179.626 177.584 0.124 0.000 1.226 65 A CA 1.215 53.294 52.037 0.070 0.000 0.810 65 A CB -0.604 18.469 19.000 0.122 0.000 0.784 65 A HN 0.621 nan 8.150 nan 0.000 0.486 66 S N -0.864 114.919 115.700 0.139 0.000 2.503 66 S HA 0.036 4.505 4.470 -0.001 0.000 0.215 66 S C 1.560 176.254 174.600 0.155 0.000 1.003 66 S CA 0.455 58.795 58.200 0.233 0.000 0.910 66 S CB -0.153 63.137 63.200 0.150 0.000 0.790 66 S HN 0.554 nan 8.310 nan 0.000 0.514 67 K N 2.195 122.640 120.400 0.075 0.000 2.113 67 K HA -0.028 4.292 4.320 -0.001 0.000 0.208 67 K C -0.780 175.816 176.600 -0.006 0.000 1.047 67 K CA 1.655 57.975 56.287 0.055 0.000 0.928 67 K CB -0.937 31.582 32.500 0.032 0.000 0.716 67 K HN 0.468 nan 8.250 nan 0.000 0.446 68 P HA -0.113 nan 4.420 nan 0.000 0.222 68 P C 1.021 178.210 177.300 -0.185 0.000 1.153 68 P CA 1.197 64.175 63.100 -0.204 0.000 0.798 68 P CB -0.004 31.437 31.700 -0.433 0.000 0.796 69 F N 1.213 121.208 119.950 0.075 0.000 2.163 69 F HA -0.119 4.408 4.527 -0.001 0.000 0.297 69 F C 2.600 178.428 175.800 0.047 0.000 1.094 69 F CA 1.791 59.818 58.000 0.045 0.000 1.290 69 F CB -1.399 37.615 39.000 0.024 0.000 1.017 69 F HN -0.024 nan 8.300 nan 0.000 0.483 70 T N -2.861 111.829 114.554 0.225 0.000 2.985 70 T HA -0.215 4.134 4.350 -0.001 0.000 0.266 70 T C 1.748 176.544 174.700 0.159 0.000 1.076 70 T CA 0.786 62.977 62.100 0.152 0.000 1.135 70 T CB -0.850 68.102 68.868 0.140 0.000 0.890 70 T HN 0.303 nan 8.240 nan 0.000 0.480 71 Y N 2.727 123.030 120.300 0.005 0.000 2.242 71 Y HA 0.204 4.754 4.550 -0.000 0.000 0.291 71 Y C 2.652 178.518 175.900 -0.058 0.000 1.137 71 Y CA 0.392 58.472 58.100 -0.033 0.000 1.181 71 Y CB -1.090 37.342 38.460 -0.047 0.000 0.989 71 Y HN 0.304 nan 8.280 nan 0.000 0.527 72 A N 0.409 123.216 122.820 -0.023 0.000 1.873 72 A HA -0.019 4.301 4.320 -0.001 0.000 0.215 72 A C 2.510 180.038 177.584 -0.094 0.000 1.186 72 A CA 1.907 53.864 52.037 -0.132 0.000 0.616 72 A CB -1.447 17.546 19.000 -0.010 0.000 0.823 72 A HN 0.537 nan 8.150 nan 0.000 0.442 73 A N 0.124 122.938 122.820 -0.010 0.000 1.841 73 A HA 0.095 4.415 4.320 -0.001 0.000 0.216 73 A C 2.570 180.121 177.584 -0.055 0.000 1.199 73 A CA 2.549 54.574 52.037 -0.021 0.000 0.621 73 A CB -1.348 17.653 19.000 0.002 0.000 0.835 73 A HN 1.200 nan 8.150 nan 0.000 0.445 74 A N -0.631 122.166 122.820 -0.038 0.000 1.948 74 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 74 A C 2.234 179.750 177.584 -0.114 0.000 1.177 74 A CA 1.724 53.734 52.037 -0.045 0.000 0.636 74 A CB -0.680 18.329 19.000 0.015 0.000 0.815 74 A HN 0.509 nan 8.150 nan 0.000 0.449 75 L N -0.677 120.416 121.223 -0.217 0.000 2.017 75 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 75 L C 2.560 179.248 176.870 -0.304 0.000 1.073 75 L CA 1.424 56.024 54.840 -0.401 0.000 0.745 75 L CB -0.381 41.274 42.059 -0.673 0.000 0.894 75 L HN 0.293 nan 8.230 nan 0.000 0.432 76 V N -0.610 119.183 119.914 -0.202 0.000 2.427 76 V HA -0.264 3.855 4.120 -0.001 0.000 0.248 76 V C 2.000 178.048 176.094 -0.077 0.000 1.051 76 V CA 1.695 63.925 62.300 -0.117 0.000 1.048 76 V CB -0.558 31.223 31.823 -0.071 0.000 0.666 76 V HN 0.437 nan 8.190 nan 0.000 0.456 77 D N 0.309 120.665 120.400 -0.072 0.000 2.144 77 D HA -0.078 4.562 4.640 -0.001 0.000 0.200 77 D C 2.179 178.456 176.300 -0.039 0.000 0.978 77 D CA 1.057 55.029 54.000 -0.046 0.000 0.833 77 D CB -0.092 40.684 40.800 -0.040 0.000 0.961 77 D HN 0.397 nan 8.370 nan 0.000 0.470 78 R N -0.343 120.125 120.500 -0.054 0.000 2.446 78 R HA 0.385 4.725 4.340 -0.001 0.000 0.254 78 R C 1.019 177.299 176.300 -0.033 0.000 0.918 78 R CA 0.312 56.392 56.100 -0.033 0.000 1.069 78 R CB 0.715 31.002 30.300 -0.022 0.000 1.194 78 R HN 0.086 nan 8.270 nan 0.000 0.534 79 G N 1.298 110.053 108.800 -0.075 0.000 2.758 79 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.686 79 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.686 79 G C 0.259 175.119 174.900 -0.066 0.000 1.389 79 G CA -0.402 44.676 45.100 -0.037 0.000 0.845 79 G HN 0.029 nan 8.290 nan 0.000 0.572 80 F N 1.522 121.463 119.950 -0.015 0.000 2.095 80 F HA 0.007 4.533 4.527 -0.001 0.000 0.298 80 F C 3.188 178.998 175.800 0.016 0.000 1.104 80 F CA 3.122 61.118 58.000 -0.007 0.000 1.232 80 F CB -0.783 38.210 39.000 -0.011 0.000 0.987 80 F HN 0.793 nan 8.300 nan 0.000 0.475 81 A N 0.233 123.175 122.820 0.203 0.000 1.859 81 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 81 A C 2.433 180.069 177.584 0.088 0.000 1.198 81 A CA 2.378 54.489 52.037 0.124 0.000 0.629 81 A CB -1.511 17.543 19.000 0.090 0.000 0.830 81 A HN 0.342 nan 8.150 nan 0.000 0.446 82 A N -0.944 121.913 122.820 0.062 0.000 1.940 82 A HA -0.003 4.317 4.320 -0.001 0.000 0.219 82 A C 2.209 179.822 177.584 0.048 0.000 1.176 82 A CA 1.988 54.052 52.037 0.045 0.000 0.631 82 A CB -0.845 18.172 19.000 0.028 0.000 0.814 82 A HN 0.486 nan 8.150 nan 0.000 0.446 83 V N 0.130 120.069 119.914 0.041 0.000 2.488 83 V HA -0.141 3.978 4.120 -0.001 0.000 0.246 83 V C 1.895 178.053 176.094 0.107 0.000 1.046 83 V CA 1.906 64.241 62.300 0.059 0.000 1.053 83 V CB -0.651 31.180 31.823 0.014 0.000 0.679 83 V HN 0.445 nan 8.190 nan 0.000 0.458 84 D N 0.039 120.512 120.400 0.122 0.000 2.224 84 D HA -0.115 4.524 4.640 -0.001 0.000 0.205 84 D C 2.260 178.622 176.300 0.103 0.000 0.965 84 D CA 0.741 54.825 54.000 0.139 0.000 0.852 84 D CB -0.225 40.676 40.800 0.169 0.000 0.947 84 D HN 0.336 nan 8.370 nan 0.000 0.494 85 R N 0.530 121.083 120.500 0.088 0.000 2.152 85 R HA -0.108 4.231 4.340 -0.001 0.000 0.232 85 R C 1.296 177.641 176.300 0.076 0.000 1.117 85 R CA 1.088 57.233 56.100 0.074 0.000 0.981 85 R CB 0.223 30.560 30.300 0.061 0.000 0.870 85 R HN 0.075 nan 8.270 nan 0.000 0.451 86 Q N -0.521 119.323 119.800 0.074 0.000 2.378 86 Q HA 0.180 4.519 4.340 -0.001 0.000 0.216 86 Q C -0.302 175.730 176.000 0.055 0.000 0.892 86 Q CA 0.310 56.154 55.803 0.067 0.000 0.931 86 Q CB 1.633 30.406 28.738 0.059 0.000 1.086 86 Q HN 0.082 nan 8.270 nan 0.000 0.528 87 V N 0.757 120.708 119.914 0.062 0.000 2.482 87 V HA 0.571 4.691 4.120 -0.001 0.000 0.295 87 V C 0.429 176.549 176.094 0.043 0.000 1.026 87 V CA -0.835 61.482 62.300 0.028 0.000 0.856 87 V CB 1.354 33.175 31.823 -0.002 0.000 1.001 87 V HN 0.183 nan 8.190 nan 0.000 0.424 88 G N 3.131 111.943 108.800 0.019 0.000 2.611 88 G HA2 0.480 4.440 3.960 -0.001 0.000 0.273 88 G HA3 0.480 4.440 3.960 -0.001 0.000 0.273 88 G C 0.126 175.042 174.900 0.027 0.000 1.305 88 G CA -0.395 44.723 45.100 0.030 0.000 1.010 88 G HN 0.682 nan 8.290 nan 0.000 0.509 89 L N 0.336 121.582 121.223 0.038 0.000 3.289 89 L HA 0.288 4.627 4.340 -0.001 0.000 0.291 89 L C 0.442 177.325 176.870 0.022 0.000 1.279 89 L CA -0.277 54.589 54.840 0.044 0.000 1.025 89 L CB 0.097 42.201 42.059 0.076 0.000 1.413 89 L HN 0.331 nan 8.230 nan 0.000 0.593 90 N N 2.284 120.988 118.700 0.007 0.000 2.419 90 N HA 0.317 5.056 4.740 -0.001 0.000 0.277 90 N C -2.527 172.981 175.510 -0.004 0.000 1.006 90 N CA -1.333 51.718 53.050 0.002 0.000 0.923 90 N CB 2.132 40.617 38.487 -0.004 0.000 1.140 90 N HN -0.094 nan 8.380 nan 0.000 0.488 91 P HA 0.059 nan 4.420 nan 0.000 0.269 91 P C -0.531 176.779 177.300 0.017 0.000 1.215 91 P CA -0.048 63.056 63.100 0.007 0.000 0.780 91 P CB 1.188 32.895 31.700 0.012 0.000 0.898 92 S N 0.143 115.873 115.700 0.050 0.000 2.636 92 S HA 0.671 5.141 4.470 -0.001 0.000 0.268 92 S C -0.745 173.923 174.600 0.114 0.000 1.159 92 S CA -0.456 57.775 58.200 0.051 0.000 0.815 92 S CB 0.831 64.040 63.200 0.016 0.000 1.130 92 S HN 0.560 nan 8.310 nan 0.000 0.471 93 G N 0.484 109.300 108.800 0.027 0.000 2.437 93 G HA2 0.444 4.403 3.960 -0.001 0.000 0.319 93 G HA3 0.444 4.403 3.960 -0.001 0.000 0.319 93 G C 0.375 175.200 174.900 -0.126 0.000 1.158 93 G CA -0.202 44.871 45.100 -0.044 0.000 0.899 93 G HN 0.647 nan 8.290 nan 0.000 0.502 94 E N 0.955 120.953 120.200 -0.336 0.000 2.051 94 E HA -0.074 4.275 4.350 -0.001 0.000 0.192 94 E C 2.048 178.582 176.600 -0.109 0.000 0.991 94 E CA 0.847 57.085 56.400 -0.270 0.000 0.799 94 E CB -0.514 28.953 29.700 -0.390 0.000 0.748 94 E HN 0.599 nan 8.360 nan 0.000 0.449 95 A N 1.816 124.567 122.820 -0.114 0.000 2.547 95 A HA -0.145 4.174 4.320 -0.001 0.000 0.269 95 A C 0.034 177.593 177.584 -0.041 0.000 1.041 95 A CA 0.165 52.166 52.037 -0.060 0.000 0.855 95 A CB -1.288 17.666 19.000 -0.076 0.000 0.934 95 A HN 0.232 nan 8.150 nan 0.000 0.521 96 F N 4.036 123.931 119.950 -0.091 0.000 2.484 96 F HA 0.346 4.872 4.527 -0.001 0.000 0.360 96 F C 0.392 176.144 175.800 -0.080 0.000 1.101 96 F CA -0.064 57.883 58.000 -0.088 0.000 1.251 96 F CB 0.564 39.510 39.000 -0.090 0.000 1.132 96 F HN 0.633 nan 8.300 nan 0.000 0.570 97 N N 4.990 122.855 118.700 -1.393 0.000 2.346 97 N HA 0.088 4.827 4.740 -0.001 0.000 0.289 97 N C 0.434 175.206 175.510 -1.230 0.000 1.027 97 N CA -0.308 52.182 53.050 -0.933 0.000 0.864 97 N CB 1.593 39.789 38.487 -0.485 0.000 1.370 97 N HN 0.926 nan 8.380 nan 0.000 0.481 98 E N 2.856 122.709 120.200 -0.578 0.000 2.110 98 E HA -0.085 4.265 4.350 -0.001 0.000 0.193 98 E C 1.221 177.654 176.600 -0.279 0.000 0.988 98 E CA 0.906 57.161 56.400 -0.241 0.000 0.804 98 E CB 0.195 29.905 29.700 0.017 0.000 0.745 98 E HN 0.640 nan 8.360 nan 0.000 0.458 99 L N 0.718 121.795 121.223 -0.244 0.000 2.551 99 L HA -0.149 4.191 4.340 -0.001 0.000 0.230 99 L C 2.246 178.991 176.870 -0.208 0.000 1.163 99 L CA 0.383 55.114 54.840 -0.181 0.000 0.826 99 L CB -0.181 41.797 42.059 -0.135 0.000 0.943 99 L HN 0.081 nan 8.230 nan 0.000 0.452 100 S N 0.220 115.748 115.700 -0.287 0.000 2.383 100 S HA -0.059 4.410 4.470 -0.001 0.000 0.227 100 S C 1.758 176.239 174.600 -0.198 0.000 1.026 100 S CA 1.015 59.080 58.200 -0.225 0.000 0.981 100 S CB -0.109 62.943 63.200 -0.247 0.000 0.818 100 S HN 0.421 nan 8.310 nan 0.000 0.472 101 L N 0.989 122.030 121.223 -0.303 0.000 2.567 101 L HA 0.213 4.552 4.340 -0.001 0.000 0.225 101 L C 2.403 179.026 176.870 -0.412 0.000 1.119 101 L CA 0.375 54.962 54.840 -0.421 0.000 0.871 101 L CB -0.322 41.190 42.059 -0.911 0.000 1.036 101 L HN 0.215 nan 8.230 nan 0.000 0.459 102 E N 1.947 121.994 120.200 -0.255 0.000 2.152 102 E HA -0.038 4.312 4.350 -0.001 0.000 0.192 102 E C 1.117 177.628 176.600 -0.149 0.000 0.983 102 E CA 0.502 56.821 56.400 -0.136 0.000 0.818 102 E CB 0.235 29.902 29.700 -0.055 0.000 0.758 102 E HN 0.381 nan 8.360 nan 0.000 0.467 103 A N 1.199 123.953 122.820 -0.109 0.000 2.521 103 A HA -0.079 4.241 4.320 -0.001 0.000 0.237 103 A C 0.853 178.496 177.584 0.098 0.000 1.087 103 A CA 0.290 52.320 52.037 -0.010 0.000 0.777 103 A CB 0.118 19.117 19.000 -0.001 0.000 1.035 103 A HN 0.108 nan 8.150 nan 0.000 0.510 104 E N 0.493 120.788 120.200 0.160 0.000 2.409 104 E HA -0.061 4.289 4.350 -0.001 0.000 0.198 104 E C 1.995 178.771 176.600 0.294 0.000 1.024 104 E CA 1.389 57.936 56.400 0.245 0.000 0.861 104 E CB -0.189 29.585 29.700 0.122 0.000 0.788 104 E HN 0.561 nan 8.360 nan 0.000 0.521 105 S N -0.066 115.756 115.700 0.204 0.000 2.382 105 S HA -0.146 4.324 4.470 -0.001 0.000 0.228 105 S C 0.021 174.766 174.600 0.242 0.000 1.027 105 S CA 0.689 58.986 58.200 0.163 0.000 0.991 105 S CB -0.351 62.897 63.200 0.080 0.000 0.823 105 S HN 0.422 nan 8.310 nan 0.000 0.469 106 H N 1.537 120.649 119.070 0.070 0.000 2.415 106 H HA -0.168 4.388 4.556 -0.001 0.000 0.323 106 H C 0.241 175.612 175.328 0.071 0.000 1.035 106 H CA 1.218 57.329 56.048 0.105 0.000 1.098 106 H CB -1.427 28.423 29.762 0.146 0.000 1.575 106 H HN 0.554 nan 8.280 nan 0.000 0.387 107 R N -0.897 119.658 120.500 0.091 0.000 2.604 107 R HA 0.436 4.776 4.340 -0.001 0.000 0.261 107 R C -3.435 172.875 176.300 0.017 0.000 1.080 107 R CA -2.121 54.016 56.100 0.062 0.000 0.917 107 R CB 1.724 32.066 30.300 0.071 0.000 1.252 107 R HN -0.060 nan 8.270 nan 0.000 0.456 108 P HA -0.034 nan 4.420 nan 0.000 0.268 108 P C -0.302 176.997 177.300 -0.002 0.000 1.208 108 P CA -0.014 63.100 63.100 0.024 0.000 0.777 108 P CB 0.734 32.449 31.700 0.024 0.000 0.875 109 D N 0.591 120.984 120.400 -0.011 0.000 2.127 109 D HA -0.139 4.501 4.640 -0.001 0.000 0.190 109 D C 1.061 177.344 176.300 -0.028 0.000 1.000 109 D CA 1.797 55.784 54.000 -0.021 0.000 0.839 109 D CB -0.037 40.747 40.800 -0.025 0.000 0.955 109 D HN 0.626 nan 8.370 nan 0.000 0.446 110 N N -1.874 116.797 118.700 -0.049 0.000 2.972 110 N HA 0.350 5.090 4.740 -0.001 0.000 0.262 110 N C -0.878 174.522 175.510 -0.183 0.000 1.478 110 N CA -0.499 52.487 53.050 -0.106 0.000 0.841 110 N CB 1.422 39.855 38.487 -0.090 0.000 1.512 110 N HN -0.090 nan 8.380 nan 0.000 0.548 111 A N -0.104 122.501 122.820 -0.358 0.000 2.476 111 A HA 0.261 4.581 4.320 -0.001 0.000 0.263 111 A C 0.679 178.094 177.584 -0.282 0.000 1.342 111 A CA -0.050 51.709 52.037 -0.464 0.000 0.926 111 A CB -0.630 17.672 19.000 -1.164 0.000 1.019 111 A HN 0.557 nan 8.150 nan 0.000 0.515 112 M N -0.581 118.920 119.600 -0.165 0.000 2.296 112 M HA 0.280 4.760 4.480 -0.001 0.000 0.291 112 M C 0.415 176.730 176.300 0.025 0.000 1.013 112 M CA 0.371 55.606 55.300 -0.108 0.000 1.089 112 M CB -0.451 32.034 32.600 -0.191 0.000 1.677 112 M HN 0.564 nan 8.290 nan 0.000 0.584 113 I N -1.778 118.825 120.570 0.054 0.000 2.488 113 I HA 0.393 4.563 4.170 -0.001 0.000 0.299 113 I C 1.133 177.264 176.117 0.023 0.000 0.984 113 I CA -0.505 60.873 61.300 0.131 0.000 1.250 113 I CB 0.594 38.667 38.000 0.122 0.000 1.389 113 I HN -0.110 nan 8.210 nan 0.000 0.488 114 N N 3.592 122.292 118.700 0.000 0.000 2.089 114 N HA -0.300 4.440 4.740 -0.001 0.000 0.198 114 N C 1.785 177.161 175.510 -0.224 0.000 1.017 114 N CA 2.349 55.315 53.050 -0.140 0.000 0.880 114 N CB -0.638 37.761 38.487 -0.147 0.000 1.042 114 N HN 0.895 nan 8.380 nan 0.000 0.446 115 A N 0.272 123.012 122.820 -0.133 0.000 1.851 115 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 115 A C 2.456 179.967 177.584 -0.122 0.000 1.195 115 A CA 2.217 54.170 52.037 -0.141 0.000 0.622 115 A CB -1.415 17.573 19.000 -0.020 0.000 0.831 115 A HN 0.390 nan 8.150 nan 0.000 0.444 116 G N -0.796 107.955 108.800 -0.082 0.000 2.450 116 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.220 116 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.220 116 G C 1.688 176.521 174.900 -0.112 0.000 1.130 116 G CA 1.634 46.674 45.100 -0.100 0.000 0.760 116 G HN 0.858 nan 8.290 nan 0.000 0.557 117 A N 0.572 123.321 122.820 -0.118 0.000 1.873 117 A HA 0.137 4.456 4.320 -0.001 0.000 0.215 117 A C 2.439 179.965 177.584 -0.096 0.000 1.186 117 A CA 1.226 53.223 52.037 -0.067 0.000 0.616 117 A CB -0.424 18.567 19.000 -0.014 0.000 0.823 117 A HN 0.340 nan 8.150 nan 0.000 0.442 118 L N -0.594 120.457 121.223 -0.287 0.000 2.012 118 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 118 L C 3.038 179.874 176.870 -0.057 0.000 1.073 118 L CA 1.251 55.948 54.840 -0.238 0.000 0.748 118 L CB -0.523 41.345 42.059 -0.319 0.000 0.891 118 L HN 0.431 nan 8.230 nan 0.000 0.431 119 A N -0.926 121.858 122.820 -0.060 0.000 2.067 119 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 119 A C 2.288 179.893 177.584 0.035 0.000 1.158 119 A CA 1.366 53.398 52.037 -0.008 0.000 0.661 119 A CB -0.525 18.465 19.000 -0.016 0.000 0.801 119 A HN 0.232 nan 8.150 nan 0.000 0.452 120 V N -1.127 118.814 119.914 0.046 0.000 2.649 120 V HA -0.139 3.981 4.120 -0.001 0.000 0.248 120 V C 2.399 178.561 176.094 0.113 0.000 1.054 120 V CA 1.627 63.977 62.300 0.083 0.000 1.073 120 V CB -0.730 31.143 31.823 0.083 0.000 0.699 120 V HN 0.760 nan 8.190 nan 0.000 0.463 121 H N 0.314 119.420 119.070 0.060 0.000 2.357 121 H HA -0.193 4.363 4.556 -0.001 0.000 0.301 121 H C 2.353 177.713 175.328 0.053 0.000 1.082 121 H CA 2.263 58.360 56.048 0.081 0.000 1.342 121 H CB 0.137 29.970 29.762 0.119 0.000 1.389 121 H HN 0.459 nan 8.280 nan 0.000 0.511 122 Q N 0.983 120.903 119.800 0.200 0.000 2.112 122 Q HA -0.126 4.214 4.340 -0.001 0.000 0.206 122 Q C 2.223 178.263 176.000 0.067 0.000 0.987 122 Q CA 1.716 57.595 55.803 0.126 0.000 0.858 122 Q CB -0.518 28.264 28.738 0.074 0.000 0.905 122 Q HN 0.528 nan 8.270 nan 0.000 0.420 123 L N -0.158 121.094 121.223 0.047 0.000 2.599 123 L HA 0.049 4.388 4.340 -0.001 0.000 0.230 123 L C 1.898 178.765 176.870 -0.005 0.000 1.141 123 L CA -0.113 54.741 54.840 0.024 0.000 0.877 123 L CB -0.213 41.865 42.059 0.031 0.000 1.009 123 L HN 0.265 nan 8.230 nan 0.000 0.447 124 L N -0.764 120.437 121.223 -0.037 0.000 2.034 124 L HA -0.306 4.034 4.340 -0.001 0.000 0.217 124 L C 2.105 178.942 176.870 -0.054 0.000 1.077 124 L CA 1.520 56.313 54.840 -0.078 0.000 0.769 124 L CB -0.263 41.674 42.059 -0.203 0.000 0.890 124 L HN 0.195 nan 8.230 nan 0.000 0.435 125 V N -2.643 117.249 119.914 -0.036 0.000 3.013 125 V HA 0.409 4.529 4.120 -0.001 0.000 0.238 125 V C 0.693 176.779 176.094 -0.012 0.000 1.161 125 V CA 0.718 63.004 62.300 -0.024 0.000 1.170 125 V CB 0.874 32.686 31.823 -0.018 0.000 0.917 125 V HN 0.517 nan 8.190 nan 0.000 0.478 126 G N -0.762 108.035 108.800 -0.004 0.000 2.322 126 G HA2 0.322 4.282 3.960 -0.001 0.000 0.295 126 G HA3 0.322 4.282 3.960 -0.001 0.000 0.295 126 G C -2.802 172.104 174.900 0.010 0.000 1.369 126 G CA 0.045 45.146 45.100 0.002 0.000 0.821 126 G HN -0.054 nan 8.290 nan 0.000 0.536 127 P HA 0.005 nan 4.420 nan 0.000 0.215 127 P C 0.860 178.171 177.300 0.018 0.000 1.153 127 P CA 1.367 64.477 63.100 0.016 0.000 0.853 127 P CB 0.246 31.955 31.700 0.015 0.000 0.788 128 E N -1.121 119.088 120.200 0.015 0.000 2.437 128 E HA 0.334 4.684 4.350 -0.001 0.000 0.195 128 E C 0.200 176.810 176.600 0.017 0.000 1.029 128 E CA -0.307 56.102 56.400 0.016 0.000 0.948 128 E CB -0.419 29.289 29.700 0.013 0.000 1.082 128 E HN 0.140 nan 8.360 nan 0.000 0.456 129 A N 1.099 123.930 122.820 0.018 0.000 2.407 129 A HA 0.407 4.727 4.320 -0.001 0.000 0.248 129 A C 0.622 178.224 177.584 0.029 0.000 1.082 129 A CA -0.403 51.645 52.037 0.019 0.000 0.785 129 A CB 0.289 19.297 19.000 0.013 0.000 1.020 129 A HN 0.256 nan 8.150 nan 0.000 0.489 130 S N 1.717 117.434 115.700 0.029 0.000 2.601 130 S HA 0.260 4.730 4.470 -0.001 0.000 0.271 130 S C 1.235 175.868 174.600 0.056 0.000 1.305 130 S CA -0.058 58.164 58.200 0.037 0.000 1.022 130 S CB 0.973 64.191 63.200 0.029 0.000 0.940 130 S HN 0.861 nan 8.310 nan 0.000 0.525 131 R N 1.119 121.659 120.500 0.067 0.000 2.113 131 R HA -0.226 4.114 4.340 -0.001 0.000 0.244 131 R C 1.932 178.295 176.300 0.105 0.000 1.142 131 R CA 2.124 58.282 56.100 0.097 0.000 0.953 131 R CB -0.478 29.872 30.300 0.083 0.000 0.860 131 R HN 0.726 nan 8.270 nan 0.000 0.438 132 K N 0.718 121.162 120.400 0.073 0.000 2.155 132 K HA -0.093 4.227 4.320 -0.001 0.000 0.203 132 K C 1.788 178.421 176.600 0.054 0.000 1.052 132 K CA 1.700 58.027 56.287 0.066 0.000 0.948 132 K CB 0.014 32.538 32.500 0.040 0.000 0.728 132 K HN 0.315 nan 8.250 nan 0.000 0.448 133 E N -0.175 120.049 120.200 0.041 0.000 2.077 133 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 133 E C 2.089 178.697 176.600 0.012 0.000 0.989 133 E CA 1.205 57.618 56.400 0.023 0.000 0.800 133 E CB 0.044 29.754 29.700 0.016 0.000 0.746 133 E HN 0.238 nan 8.360 nan 0.000 0.452 134 R N 0.390 120.902 120.500 0.019 0.000 2.066 134 R HA -0.042 4.298 4.340 -0.001 0.000 0.232 134 R C 2.477 178.748 176.300 -0.047 0.000 1.131 134 R CA 0.659 56.731 56.100 -0.046 0.000 0.955 134 R CB -0.361 29.909 30.300 -0.050 0.000 0.851 134 R HN 0.202 nan 8.270 nan 0.000 0.432 135 L N 1.450 122.726 121.223 0.089 0.000 2.261 135 L HA -0.187 4.153 4.340 -0.001 0.000 0.216 135 L C 0.496 177.399 176.870 0.054 0.000 1.114 135 L CA 1.892 56.811 54.840 0.131 0.000 0.777 135 L CB -0.475 41.684 42.059 0.167 0.000 0.910 135 L HN 0.206 nan 8.230 nan 0.000 0.440 136 D N -0.537 119.881 120.400 0.030 0.000 2.240 136 D HA -0.112 4.528 4.640 -0.001 0.000 0.206 136 D C 2.134 178.429 176.300 -0.009 0.000 0.963 136 D CA 0.408 54.417 54.000 0.014 0.000 0.863 136 D CB 0.104 40.913 40.800 0.015 0.000 0.973 136 D HN 0.177 nan 8.370 nan 0.000 0.501 137 R N 1.653 122.138 120.500 -0.026 0.000 2.092 137 R HA 0.046 4.386 4.340 -0.001 0.000 0.231 137 R C 1.822 178.099 176.300 -0.039 0.000 1.119 137 R CA 1.537 57.614 56.100 -0.038 0.000 0.970 137 R CB -0.802 29.464 30.300 -0.056 0.000 0.864 137 R HN 0.041 nan 8.270 nan 0.000 0.440 138 A N -0.135 122.655 122.820 -0.050 0.000 1.845 138 A HA -0.103 4.217 4.320 -0.001 0.000 0.215 138 A C 2.262 179.839 177.584 -0.012 0.000 1.195 138 A CA 1.975 53.998 52.037 -0.023 0.000 0.616 138 A CB -0.853 18.148 19.000 0.002 0.000 0.832 138 A HN 0.157 nan 8.150 nan 0.000 0.443 139 V N 0.303 120.206 119.914 -0.017 0.000 2.515 139 V HA -0.227 3.893 4.120 -0.001 0.000 0.250 139 V C 2.453 178.520 176.094 -0.046 0.000 1.058 139 V CA 2.105 64.384 62.300 -0.036 0.000 1.064 139 V CB -0.848 30.958 31.823 -0.027 0.000 0.675 139 V HN 0.726 nan 8.190 nan 0.000 0.461 140 E N 0.375 120.555 120.200 -0.034 0.000 2.028 140 E HA -0.237 4.113 4.350 -0.001 0.000 0.191 140 E C 2.227 178.800 176.600 -0.045 0.000 0.988 140 E CA 1.578 57.956 56.400 -0.036 0.000 0.799 140 E CB -0.117 29.568 29.700 -0.025 0.000 0.755 140 E HN 0.485 nan 8.360 nan 0.000 0.447 141 I N 1.057 121.605 120.570 -0.036 0.000 2.208 141 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 141 I C 2.311 178.367 176.117 -0.101 0.000 1.097 141 I CA 1.484 62.764 61.300 -0.033 0.000 1.363 141 I CB -0.178 37.830 38.000 0.014 0.000 1.051 141 I HN 0.206 nan 8.210 nan 0.000 0.413 142 M N -0.748 118.766 119.600 -0.144 0.000 2.117 142 M HA -0.197 4.282 4.480 -0.001 0.000 0.262 142 M C 2.348 178.504 176.300 -0.239 0.000 1.065 142 M CA 1.894 57.010 55.300 -0.306 0.000 1.114 142 M CB -0.435 32.019 32.600 -0.244 0.000 1.361 142 M HN 0.167 nan 8.290 nan 0.000 0.408 143 S N 0.888 116.503 115.700 -0.142 0.000 2.359 143 S HA -0.094 4.376 4.470 -0.001 0.000 0.224 143 S C 1.798 176.350 174.600 -0.080 0.000 1.035 143 S CA 1.166 59.304 58.200 -0.104 0.000 1.018 143 S CB -0.483 62.673 63.200 -0.072 0.000 0.876 143 S HN 0.413 nan 8.310 nan 0.000 0.448 144 L N 0.758 121.942 121.223 -0.066 0.000 2.353 144 L HA -0.035 4.305 4.340 -0.001 0.000 0.220 144 L C 1.796 178.677 176.870 0.018 0.000 1.133 144 L CA 0.730 55.554 54.840 -0.027 0.000 0.798 144 L CB -0.409 41.640 42.059 -0.018 0.000 0.922 144 L HN 0.315 nan 8.230 nan 0.000 0.445 145 L N -1.396 119.796 121.223 -0.052 0.000 2.316 145 L HA 0.118 4.458 4.340 -0.001 0.000 0.207 145 L C 2.672 179.528 176.870 -0.024 0.000 1.070 145 L CA 0.555 55.366 54.840 -0.048 0.000 0.820 145 L CB -0.484 41.451 42.059 -0.208 0.000 0.992 145 L HN 0.085 nan 8.230 nan 0.000 0.466 146 A N 0.152 122.913 122.820 -0.098 0.000 2.121 146 A HA 0.105 4.424 4.320 -0.001 0.000 0.218 146 A C 1.812 179.412 177.584 0.027 0.000 1.154 146 A CA 1.147 53.143 52.037 -0.068 0.000 0.679 146 A CB -0.688 18.235 19.000 -0.128 0.000 0.795 146 A HN 0.563 nan 8.150 nan 0.000 0.458 147 G N -0.910 107.921 108.800 0.052 0.000 2.136 147 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.242 147 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.242 147 G C 0.142 175.021 174.900 -0.036 0.000 0.989 147 G CA 0.706 45.814 45.100 0.014 0.000 0.682 147 G HN 1.368 nan 8.290 nan 0.000 0.522 148 R N -2.113 118.360 120.500 -0.044 0.000 2.733 148 R HA 0.696 5.036 4.340 -0.001 0.000 0.272 148 R C -0.470 175.797 176.300 -0.055 0.000 1.029 148 R CA -1.049 55.021 56.100 -0.050 0.000 0.888 148 R CB 0.824 31.095 30.300 -0.049 0.000 1.251 148 R HN 0.207 nan 8.270 nan 0.000 0.464 149 R N 1.589 122.059 120.500 -0.049 0.000 2.298 149 R HA 0.375 4.714 4.340 -0.001 0.000 0.310 149 R C -0.765 175.502 176.300 -0.056 0.000 1.068 149 R CA -0.239 55.833 56.100 -0.047 0.000 0.957 149 R CB 0.572 30.852 30.300 -0.033 0.000 1.003 149 R HN 0.554 nan 8.270 nan 0.000 0.454 150 L N 2.459 123.643 121.223 -0.065 0.000 2.334 150 L HA 0.489 4.828 4.340 -0.001 0.000 0.270 150 L C -0.107 176.724 176.870 -0.064 0.000 1.018 150 L CA -0.848 53.943 54.840 -0.081 0.000 0.811 150 L CB 2.171 44.165 42.059 -0.109 0.000 1.271 150 L HN 0.681 nan 8.230 nan 0.000 0.443 151 S N 0.169 115.824 115.700 -0.075 0.000 2.607 151 S HA 0.590 5.059 4.470 -0.001 0.000 0.303 151 S C -0.640 173.884 174.600 -0.127 0.000 1.086 151 S CA -0.589 57.580 58.200 -0.051 0.000 0.995 151 S CB 2.371 65.562 63.200 -0.014 0.000 1.084 151 S HN 0.236 nan 8.310 nan 0.000 0.507 152 V N 2.004 121.811 119.914 -0.178 0.000 2.407 152 V HA 0.242 4.362 4.120 -0.001 0.000 0.278 152 V C -0.234 175.520 176.094 -0.567 0.000 1.037 152 V CA -0.609 61.391 62.300 -0.500 0.000 0.900 152 V CB 1.354 32.594 31.823 -0.972 0.000 0.983 152 V HN 0.896 nan 8.190 nan 0.000 0.459 153 D N 3.869 124.029 120.400 -0.400 0.000 2.402 153 D HA 0.162 4.802 4.640 -0.001 0.000 0.235 153 D C 0.489 176.648 176.300 -0.235 0.000 1.226 153 D CA -0.160 53.717 54.000 -0.206 0.000 0.918 153 D CB 0.446 41.186 40.800 -0.101 0.000 1.043 153 D HN 0.531 nan 8.370 nan 0.000 0.506 154 W N 2.120 123.440 121.300 0.033 0.000 2.525 154 W HA -0.011 4.649 4.660 -0.001 0.000 0.259 154 W C 2.092 178.692 176.519 0.135 0.000 1.253 154 W CA 0.061 57.461 57.345 0.091 0.000 1.262 154 W CB -0.133 29.343 29.460 0.027 0.000 1.122 154 W HN 0.533 nan 8.180 nan 0.000 0.607 155 E N -0.040 120.286 120.200 0.209 0.000 2.072 155 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 155 E C 1.726 178.387 176.600 0.102 0.000 0.985 155 E CA 1.816 58.303 56.400 0.144 0.000 0.801 155 E CB -0.070 29.684 29.700 0.092 0.000 0.750 155 E HN 0.116 nan 8.360 nan 0.000 0.452 156 T N -0.083 114.510 114.554 0.066 0.000 2.812 156 T HA -0.145 4.204 4.350 -0.001 0.000 0.264 156 T C 1.416 176.152 174.700 0.060 0.000 1.042 156 T CA 1.176 63.294 62.100 0.031 0.000 1.140 156 T CB -0.430 68.437 68.868 -0.001 0.000 0.870 156 T HN 0.341 nan 8.240 nan 0.000 0.445 157 Y N 1.948 122.212 120.300 -0.060 0.000 2.114 157 Y HA -0.137 4.413 4.550 -0.000 0.000 0.284 157 Y C 2.523 178.456 175.900 0.055 0.000 1.143 157 Y CA 1.870 59.942 58.100 -0.047 0.000 1.135 157 Y CB -0.240 38.134 38.460 -0.143 0.000 0.980 157 Y HN 0.210 nan 8.280 nan 0.000 0.499 158 E N -0.763 119.543 120.200 0.177 0.000 2.085 158 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 158 E C 2.426 179.012 176.600 -0.023 0.000 0.994 158 E CA 1.317 57.758 56.400 0.069 0.000 0.801 158 E CB -0.352 29.462 29.700 0.190 0.000 0.743 158 E HN 0.473 nan 8.360 nan 0.000 0.453 159 S N 0.221 115.925 115.700 0.007 0.000 2.356 159 S HA -0.238 4.232 4.470 -0.001 0.000 0.223 159 S C 1.977 176.574 174.600 -0.005 0.000 1.032 159 S CA 1.771 59.968 58.200 -0.004 0.000 1.005 159 S CB -0.252 62.941 63.200 -0.012 0.000 0.867 159 S HN 0.437 nan 8.310 nan 0.000 0.449 160 E N -0.471 119.728 120.200 -0.003 0.000 2.152 160 E HA -0.060 4.290 4.350 -0.001 0.000 0.192 160 E C 2.048 178.629 176.600 -0.032 0.000 0.983 160 E CA 0.775 57.226 56.400 0.085 0.000 0.818 160 E CB -0.126 29.669 29.700 0.158 0.000 0.758 160 E HN 0.395 nan 8.360 nan 0.000 0.467 161 M N 0.530 120.014 119.600 -0.193 0.000 2.213 161 M HA -0.063 4.417 4.480 -0.001 0.000 0.263 161 M C 2.195 178.438 176.300 -0.094 0.000 1.062 161 M CA 1.281 56.446 55.300 -0.225 0.000 1.105 161 M CB -0.801 31.547 32.600 -0.420 0.000 1.385 161 M HN 0.269 nan 8.290 nan 0.000 0.417 162 A N -0.049 122.739 122.820 -0.054 0.000 2.209 162 A HA 0.143 4.462 4.320 -0.001 0.000 0.212 162 A C 1.290 178.877 177.584 0.004 0.000 1.158 162 A CA 1.034 53.062 52.037 -0.016 0.000 0.742 162 A CB -0.401 18.597 19.000 -0.003 0.000 0.790 162 A HN 0.383 nan 8.150 nan 0.000 0.472 163 V N -4.196 115.728 119.914 0.016 0.000 2.793 163 V HA 0.373 4.492 4.120 -0.001 0.000 0.361 163 V C 0.067 176.168 176.094 0.011 0.000 1.298 163 V CA 0.040 62.359 62.300 0.032 0.000 1.343 163 V CB -0.305 31.567 31.823 0.082 0.000 1.410 163 V HN 0.098 nan 8.190 nan 0.000 0.656 164 S N 0.964 116.656 115.700 -0.014 0.000 2.552 164 S HA 0.188 4.658 4.470 -0.001 0.000 0.246 164 S C 1.161 175.742 174.600 -0.032 0.000 1.019 164 S CA -0.233 57.947 58.200 -0.034 0.000 1.045 164 S CB -0.138 63.039 63.200 -0.039 0.000 0.784 164 S HN 0.669 nan 8.310 nan 0.000 0.453 165 D N 2.379 122.764 120.400 -0.024 0.000 2.084 165 D HA -0.151 4.488 4.640 -0.001 0.000 0.194 165 D C 2.073 178.353 176.300 -0.032 0.000 0.990 165 D CA 0.974 54.964 54.000 -0.017 0.000 0.826 165 D CB -0.014 40.779 40.800 -0.011 0.000 0.971 165 D HN 0.370 nan 8.370 nan 0.000 0.453 166 R N 0.799 121.267 120.500 -0.053 0.000 2.105 166 R HA -0.121 4.219 4.340 -0.001 0.000 0.239 166 R C 1.932 178.174 176.300 -0.097 0.000 1.135 166 R CA 1.188 57.245 56.100 -0.071 0.000 0.967 166 R CB 0.045 30.296 30.300 -0.083 0.000 0.861 166 R HN 0.114 nan 8.270 nan 0.000 0.442 167 N N 0.518 119.160 118.700 -0.096 0.000 2.142 167 N HA -0.144 4.596 4.740 -0.001 0.000 0.186 167 N C 1.897 177.327 175.510 -0.134 0.000 1.023 167 N CA 1.071 54.046 53.050 -0.125 0.000 0.852 167 N CB -0.108 38.336 38.487 -0.071 0.000 0.998 167 N HN 0.242 nan 8.380 nan 0.000 0.424 168 L N 0.599 121.774 121.223 -0.079 0.000 2.042 168 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 168 L C 2.613 179.473 176.870 -0.017 0.000 1.076 168 L CA 0.974 55.777 54.840 -0.062 0.000 0.749 168 L CB -0.464 41.611 42.059 0.026 0.000 0.893 168 L HN 0.134 nan 8.230 nan 0.000 0.432 169 S N 0.022 115.721 115.700 -0.002 0.000 2.365 169 S HA -0.214 4.256 4.470 -0.001 0.000 0.225 169 S C 1.981 176.505 174.600 -0.127 0.000 1.039 169 S CA 1.517 59.713 58.200 -0.008 0.000 1.033 169 S CB -0.306 62.865 63.200 -0.049 0.000 0.887 169 S HN 0.337 nan 8.310 nan 0.000 0.447 170 L N 0.978 122.055 121.223 -0.244 0.000 2.131 170 L HA -0.072 4.268 4.340 -0.001 0.000 0.210 170 L C 2.932 179.612 176.870 -0.315 0.000 1.092 170 L CA 1.143 55.735 54.840 -0.414 0.000 0.759 170 L CB -0.710 41.100 42.059 -0.416 0.000 0.903 170 L HN 0.425 nan 8.230 nan 0.000 0.435 171 A N -0.780 121.889 122.820 -0.252 0.000 1.873 171 A HA -0.210 4.109 4.320 -0.001 0.000 0.215 171 A C 2.171 179.617 177.584 -0.230 0.000 1.186 171 A CA 1.343 53.226 52.037 -0.256 0.000 0.616 171 A CB -0.692 18.125 19.000 -0.305 0.000 0.823 171 A HN 0.389 nan 8.150 nan 0.000 0.442 172 H N -1.629 117.387 119.070 -0.089 0.000 2.293 172 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 172 H C 2.129 177.442 175.328 -0.025 0.000 1.082 172 H CA 2.093 58.113 56.048 -0.047 0.000 1.308 172 H CB -0.533 29.204 29.762 -0.041 0.000 1.375 172 H HN 0.485 nan 8.280 nan 0.000 0.495 173 M N 1.003 120.638 119.600 0.059 0.000 2.089 173 M HA -0.159 4.321 4.480 -0.001 0.000 0.257 173 M C 2.293 178.659 176.300 0.110 0.000 1.071 173 M CA 1.345 56.680 55.300 0.058 0.000 1.096 173 M CB -0.868 31.644 32.600 -0.147 0.000 1.330 173 M HN 0.152 nan 8.290 nan 0.000 0.403 174 L N -0.983 120.223 121.223 -0.028 0.000 2.042 174 L HA -0.260 4.080 4.340 -0.001 0.000 0.210 174 L C 2.597 179.530 176.870 0.105 0.000 1.076 174 L CA 1.439 56.291 54.840 0.019 0.000 0.749 174 L CB -0.614 41.404 42.059 -0.069 0.000 0.893 174 L HN 0.345 nan 8.230 nan 0.000 0.432 175 R N -0.222 120.317 120.500 0.065 0.000 2.073 175 R HA -0.151 4.189 4.340 -0.001 0.000 0.234 175 R C 2.581 178.940 176.300 0.098 0.000 1.134 175 R CA 1.698 57.839 56.100 0.068 0.000 0.952 175 R CB -0.528 29.800 30.300 0.047 0.000 0.850 175 R HN 0.476 nan 8.270 nan 0.000 0.433 176 S N 0.104 115.879 115.700 0.124 0.000 2.402 176 S HA -0.195 4.275 4.470 -0.001 0.000 0.233 176 S C 1.466 176.040 174.600 -0.043 0.000 1.030 176 S CA 1.166 59.396 58.200 0.050 0.000 1.003 176 S CB -0.390 62.849 63.200 0.064 0.000 0.813 176 S HN 0.367 nan 8.310 nan 0.000 0.477 177 Y N 1.988 122.331 120.300 0.072 0.000 2.461 177 Y HA 0.424 4.973 4.550 -0.001 0.000 0.277 177 Y C 1.804 177.779 175.900 0.125 0.000 1.182 177 Y CA -0.515 57.660 58.100 0.126 0.000 1.276 177 Y CB -0.276 38.255 38.460 0.118 0.000 1.087 177 Y HN 0.418 nan 8.280 nan 0.000 0.519 178 G N 0.114 109.009 108.800 0.158 0.000 2.221 178 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.265 178 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.265 178 G C 0.691 175.655 174.900 0.107 0.000 1.041 178 G CA 0.644 45.806 45.100 0.102 0.000 0.807 178 G HN 0.297 nan 8.290 nan 0.000 0.502 179 V N -0.545 119.440 119.914 0.119 0.000 3.307 179 V HA 0.338 4.457 4.120 -0.001 0.000 0.253 179 V C 1.319 177.443 176.094 0.050 0.000 1.149 179 V CA 0.870 63.223 62.300 0.087 0.000 1.112 179 V CB 0.246 32.120 31.823 0.086 0.000 0.777 179 V HN 0.417 nan 8.190 nan 0.000 0.464 180 L N 1.352 122.600 121.223 0.041 0.000 2.356 180 L HA 0.384 4.724 4.340 -0.001 0.000 0.277 180 L C 0.809 177.693 176.870 0.023 0.000 0.996 180 L CA -0.325 54.526 54.840 0.018 0.000 0.822 180 L CB 2.102 44.152 42.059 -0.015 0.000 1.256 180 L HN 0.207 nan 8.230 nan 0.000 0.413 181 Q N 0.551 120.365 119.800 0.024 0.000 2.259 181 Q HA 0.097 4.437 4.340 -0.001 0.000 0.201 181 Q C 0.042 176.053 176.000 0.019 0.000 0.938 181 Q CA 0.295 56.112 55.803 0.023 0.000 0.872 181 Q CB 0.292 29.044 28.738 0.025 0.000 0.971 181 Q HN 0.538 nan 8.270 nan 0.000 0.494 182 D N 1.847 122.258 120.400 0.018 0.000 2.315 182 D HA 0.086 4.726 4.640 -0.001 0.000 0.275 182 D C -0.180 176.121 176.300 0.001 0.000 1.218 182 D CA -0.162 53.848 54.000 0.016 0.000 1.040 182 D CB 0.195 41.011 40.800 0.027 0.000 1.123 182 D HN 0.009 nan 8.370 nan 0.000 0.541 183 S N -1.321 114.377 115.700 -0.003 0.000 2.586 183 S HA 0.459 4.929 4.470 -0.001 0.000 0.274 183 S C 0.907 175.460 174.600 -0.080 0.000 1.281 183 S CA -0.157 58.030 58.200 -0.022 0.000 1.035 183 S CB 1.206 64.407 63.200 0.002 0.000 0.962 183 S HN 0.382 nan 8.310 nan 0.000 0.512 184 A N 3.965 126.683 122.820 -0.171 0.000 1.883 184 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 184 A C 1.832 179.298 177.584 -0.197 0.000 1.186 184 A CA 2.007 53.841 52.037 -0.338 0.000 0.624 184 A CB -1.029 17.411 19.000 -0.932 0.000 0.822 184 A HN 0.879 nan 8.150 nan 0.000 0.444 185 E N -0.417 119.719 120.200 -0.107 0.000 2.153 185 E HA -0.152 4.197 4.350 -0.001 0.000 0.194 185 E C 1.962 178.556 176.600 -0.010 0.000 0.988 185 E CA 1.236 57.616 56.400 -0.034 0.000 0.811 185 E CB -0.163 29.544 29.700 0.012 0.000 0.746 185 E HN 0.808 nan 8.360 nan 0.000 0.466 186 E N 0.242 120.437 120.200 -0.008 0.000 2.028 186 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 186 E C 1.799 178.395 176.600 -0.007 0.000 0.988 186 E CA 0.970 57.380 56.400 0.018 0.000 0.799 186 E CB 0.063 29.780 29.700 0.029 0.000 0.755 186 E HN 0.136 nan 8.360 nan 0.000 0.447 187 I N 1.132 121.679 120.570 -0.039 0.000 2.179 187 I HA -0.209 3.961 4.170 -0.001 0.000 0.242 187 I C 2.595 178.636 176.117 -0.126 0.000 1.088 187 I CA 0.765 62.014 61.300 -0.086 0.000 1.357 187 I CB -1.217 36.742 38.000 -0.067 0.000 1.051 187 I HN 0.093 nan 8.210 nan 0.000 0.409 188 V N 1.457 121.321 119.914 -0.082 0.000 2.392 188 V HA -0.268 3.851 4.120 -0.001 0.000 0.249 188 V C 2.810 178.936 176.094 0.053 0.000 1.059 188 V CA 1.865 64.152 62.300 -0.021 0.000 1.051 188 V CB -1.088 30.707 31.823 -0.046 0.000 0.658 188 V HN 0.466 nan 8.190 nan 0.000 0.455 189 A N 0.302 123.148 122.820 0.043 0.000 1.872 189 A HA -0.017 4.302 4.320 -0.001 0.000 0.214 189 A C 2.436 180.110 177.584 0.150 0.000 1.187 189 A CA 1.739 53.867 52.037 0.152 0.000 0.614 189 A CB -1.224 17.895 19.000 0.198 0.000 0.826 189 A HN 0.506 nan 8.150 nan 0.000 0.442 190 G N -1.274 107.508 108.800 -0.030 0.000 2.459 190 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.217 190 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.217 190 G C 1.574 176.326 174.900 -0.248 0.000 1.183 190 G CA 1.396 46.407 45.100 -0.148 0.000 0.776 190 G HN 0.607 nan 8.290 nan 0.000 0.552 191 Y N 1.316 121.283 120.300 -0.555 0.000 2.128 191 Y HA -0.139 4.410 4.550 -0.000 0.000 0.284 191 Y C 2.772 178.648 175.900 -0.040 0.000 1.154 191 Y CA 1.763 59.721 58.100 -0.237 0.000 1.149 191 Y CB -0.418 37.923 38.460 -0.198 0.000 0.976 191 Y HN 0.028 nan 8.280 nan 0.000 0.505 192 V N 0.668 120.536 119.914 -0.077 0.000 2.720 192 V HA -0.285 3.834 4.120 -0.001 0.000 0.256 192 V C 2.535 178.634 176.094 0.009 0.000 1.082 192 V CA 1.462 63.698 62.300 -0.107 0.000 1.101 192 V CB -1.485 30.338 31.823 -0.001 0.000 0.693 192 V HN 0.608 nan 8.190 nan 0.000 0.479 193 A N -0.259 122.602 122.820 0.068 0.000 1.855 193 A HA -0.230 4.089 4.320 -0.001 0.000 0.213 193 A C 2.265 179.745 177.584 -0.173 0.000 1.195 193 A CA 1.523 53.499 52.037 -0.102 0.000 0.610 193 A CB -0.556 18.324 19.000 -0.200 0.000 0.837 193 A HN 0.542 nan 8.150 nan 0.000 0.444 194 Q N -0.350 119.392 119.800 -0.096 0.000 2.197 194 Q HA -0.236 4.103 4.340 -0.001 0.000 0.207 194 Q C 1.810 177.732 176.000 -0.130 0.000 0.984 194 Q CA 2.138 57.902 55.803 -0.065 0.000 0.869 194 Q CB -0.472 28.306 28.738 0.068 0.000 0.906 194 Q HN 0.628 nan 8.270 nan 0.000 0.426 195 C N 0.070 119.228 119.300 -0.235 0.000 2.456 195 C HA 0.170 4.630 4.460 -0.001 0.000 0.279 195 C C 2.280 177.203 174.990 -0.112 0.000 1.427 195 C CA 0.546 59.443 59.018 -0.202 0.000 1.778 195 C CB -0.835 26.715 27.740 -0.317 0.000 1.842 195 C HN 0.615 nan 8.230 nan 0.000 0.531 196 A N -0.161 122.575 122.820 -0.140 0.000 2.345 196 A HA 0.357 4.677 4.320 -0.001 0.000 0.225 196 A C 0.709 178.174 177.584 -0.198 0.000 1.243 196 A CA 0.186 52.132 52.037 -0.152 0.000 0.875 196 A CB -0.144 18.743 19.000 -0.188 0.000 0.929 196 A HN 0.284 nan 8.150 nan 0.000 0.502 197 V N 0.991 120.803 119.914 -0.171 0.000 2.673 197 V HA 0.038 4.157 4.120 -0.001 0.000 0.303 197 V C 0.292 176.281 176.094 -0.174 0.000 1.046 197 V CA 0.474 62.673 62.300 -0.169 0.000 1.126 197 V CB 0.870 32.618 31.823 -0.124 0.000 0.934 197 V HN 0.443 nan 8.190 nan 0.000 0.487 198 L N 6.256 127.361 121.223 -0.197 0.000 2.275 198 L HA 0.631 4.971 4.340 -0.001 0.000 0.288 198 L C -0.208 176.468 176.870 -0.322 0.000 1.046 198 L CA -0.261 54.426 54.840 -0.256 0.000 0.805 198 L CB 1.498 43.431 42.059 -0.210 0.000 1.193 198 L HN 0.646 nan 8.230 nan 0.000 0.426 199 V N -0.263 119.333 119.914 -0.530 0.000 3.078 199 V HA 0.811 4.931 4.120 -0.001 0.000 0.311 199 V C -0.102 175.451 176.094 -0.903 0.000 1.138 199 V CA -0.588 61.383 62.300 -0.548 0.000 1.007 199 V CB 1.899 33.490 31.823 -0.386 0.000 1.045 199 V HN 0.737 nan 8.190 nan 0.000 0.432 200 T N -0.977 113.266 114.554 -0.519 0.000 2.948 200 T HA 0.566 4.916 4.350 -0.001 0.000 0.285 200 T C 0.994 175.635 174.700 -0.099 0.000 1.019 200 T CA 0.002 61.877 62.100 -0.375 0.000 1.013 200 T CB 1.449 70.220 68.868 -0.162 0.000 1.117 200 T HN 0.965 nan 8.240 nan 0.000 0.533 201 V N 0.802 120.808 119.914 0.154 0.000 2.594 201 V HA -0.100 4.020 4.120 -0.001 0.000 0.253 201 V C 2.534 178.713 176.094 0.142 0.000 1.069 201 V CA 1.399 63.858 62.300 0.266 0.000 1.082 201 V CB -1.161 30.854 31.823 0.320 0.000 0.680 201 V HN 0.862 nan 8.190 nan 0.000 0.469 202 K N 0.070 120.514 120.400 0.073 0.000 2.217 202 K HA -0.102 4.217 4.320 -0.001 0.000 0.202 202 K C 1.845 178.454 176.600 0.015 0.000 1.051 202 K CA 1.278 57.589 56.287 0.041 0.000 0.952 202 K CB -0.191 32.321 32.500 0.020 0.000 0.736 202 K HN 0.506 nan 8.250 nan 0.000 0.453 203 D N 1.254 121.645 120.400 -0.015 0.000 2.097 203 D HA -0.123 4.516 4.640 -0.001 0.000 0.197 203 D C 2.028 178.323 176.300 -0.008 0.000 0.984 203 D CA 0.989 54.963 54.000 -0.042 0.000 0.826 203 D CB -0.122 40.616 40.800 -0.104 0.000 0.973 203 D HN 0.110 nan 8.370 nan 0.000 0.460 204 L N 1.126 122.378 121.223 0.049 0.000 2.013 204 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 204 L C 2.701 179.637 176.870 0.111 0.000 1.073 204 L CA 1.282 56.195 54.840 0.123 0.000 0.753 204 L CB -0.551 41.625 42.059 0.195 0.000 0.890 204 L HN -0.018 nan 8.230 nan 0.000 0.432 205 A N -0.481 122.393 122.820 0.090 0.000 1.908 205 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 205 A C 2.363 179.965 177.584 0.030 0.000 1.181 205 A CA 2.043 54.122 52.037 0.071 0.000 0.627 205 A CB -0.853 18.183 19.000 0.062 0.000 0.818 205 A HN 0.211 nan 8.150 nan 0.000 0.445 206 V N -0.234 119.680 119.914 0.000 0.000 2.307 206 V HA -0.281 3.839 4.120 -0.001 0.000 0.245 206 V C 2.658 178.698 176.094 -0.091 0.000 1.045 206 V CA 2.248 64.515 62.300 -0.056 0.000 1.024 206 V CB -0.579 31.220 31.823 -0.040 0.000 0.651 206 V HN 0.598 nan 8.190 nan 0.000 0.449 207 M N 0.048 119.619 119.600 -0.049 0.000 2.117 207 M HA -0.068 4.412 4.480 -0.001 0.000 0.262 207 M C 2.211 178.609 176.300 0.164 0.000 1.065 207 M CA 2.059 57.334 55.300 -0.043 0.000 1.114 207 M CB -0.858 31.628 32.600 -0.190 0.000 1.361 207 M HN 0.450 nan 8.290 nan 0.000 0.408 208 G N -0.163 108.747 108.800 0.183 0.000 2.443 208 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.219 208 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.219 208 G C 1.575 176.523 174.900 0.081 0.000 1.131 208 G CA 0.808 46.009 45.100 0.167 0.000 0.775 208 G HN 0.540 nan 8.290 nan 0.000 0.547 209 A N -0.343 122.492 122.820 0.024 0.000 2.119 209 A HA 0.079 4.398 4.320 -0.001 0.000 0.217 209 A C 2.403 179.962 177.584 -0.041 0.000 1.153 209 A CA 1.371 53.398 52.037 -0.017 0.000 0.692 209 A CB -0.597 18.371 19.000 -0.053 0.000 0.799 209 A HN 0.402 nan 8.150 nan 0.000 0.458 210 C N -0.763 118.505 119.300 -0.053 0.000 2.457 210 C HA 0.044 4.503 4.460 -0.001 0.000 0.278 210 C C 2.536 177.538 174.990 0.020 0.000 1.309 210 C CA 0.721 59.708 59.018 -0.050 0.000 1.735 210 C CB -1.371 26.333 27.740 -0.061 0.000 1.992 210 C HN 0.631 nan 8.230 nan 0.000 0.493 211 L N 1.352 122.611 121.223 0.060 0.000 2.056 211 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 211 L C 2.929 179.819 176.870 0.033 0.000 1.078 211 L CA 1.518 56.390 54.840 0.053 0.000 0.749 211 L CB -0.921 41.169 42.059 0.051 0.000 0.901 211 L HN 0.305 nan 8.230 nan 0.000 0.433 212 A N 0.579 123.417 122.820 0.031 0.000 1.883 212 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 212 A C 2.416 180.013 177.584 0.022 0.000 1.186 212 A CA 2.408 54.460 52.037 0.026 0.000 0.624 212 A CB -1.120 17.895 19.000 0.026 0.000 0.822 212 A HN 0.511 nan 8.150 nan 0.000 0.444 213 T N -3.708 110.855 114.554 0.015 0.000 3.113 213 T HA 0.324 4.673 4.350 -0.001 0.000 0.263 213 T C 1.319 176.032 174.700 0.022 0.000 1.143 213 T CA 1.254 63.363 62.100 0.016 0.000 1.090 213 T CB -0.378 68.496 68.868 0.009 0.000 0.922 213 T HN 1.893 nan 8.240 nan 0.000 0.521 214 G N -0.195 108.620 108.800 0.025 0.000 2.130 214 G HA2 0.212 4.171 3.960 -0.001 0.000 0.216 214 G HA3 0.212 4.171 3.960 -0.001 0.000 0.216 214 G C 0.943 175.862 174.900 0.031 0.000 0.999 214 G CA 0.267 45.384 45.100 0.028 0.000 0.686 214 G HN 1.733 nan 8.290 nan 0.000 0.515 215 G N -1.489 107.329 108.800 0.030 0.000 2.278 215 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.210 215 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.210 215 G C 0.360 175.282 174.900 0.037 0.000 1.000 215 G CA 0.124 45.245 45.100 0.035 0.000 0.635 215 G HN 1.083 nan 8.290 nan 0.000 0.495 216 I N 2.169 122.759 120.570 0.034 0.000 2.638 216 I HA 0.273 4.442 4.170 -0.001 0.000 0.286 216 I C 0.453 176.599 176.117 0.048 0.000 1.088 216 I CA -0.518 60.811 61.300 0.049 0.000 1.397 216 I CB 0.813 38.838 38.000 0.042 0.000 1.414 216 I HN 0.125 nan 8.210 nan 0.000 0.566 217 H N 8.261 127.336 119.070 0.008 0.000 2.705 217 H HA 0.212 4.767 4.556 -0.001 0.000 0.291 217 H C -1.698 173.630 175.328 -0.001 0.000 1.085 217 H CA -1.976 54.073 56.048 0.002 0.000 1.357 217 H CB 1.638 31.395 29.762 -0.007 0.000 1.419 217 H HN 0.299 nan 8.280 nan 0.000 0.462 218 P HA -0.154 nan 4.420 nan 0.000 0.219 218 P C 1.152 178.547 177.300 0.159 0.000 1.146 218 P CA 1.017 64.168 63.100 0.084 0.000 0.808 218 P CB 0.356 32.053 31.700 -0.005 0.000 0.779 219 M N -0.778 119.041 119.600 0.365 0.000 2.561 219 M HA 0.079 4.559 4.480 -0.001 0.000 0.238 219 M C 1.222 177.541 176.300 0.032 0.000 1.131 219 M CA 1.280 56.684 55.300 0.174 0.000 1.046 219 M CB -0.891 31.816 32.600 0.179 0.000 1.532 219 M HN 0.137 nan 8.290 nan 0.000 0.497 220 T N -5.964 108.617 114.554 0.046 0.000 3.252 220 T HA 0.313 4.663 4.350 -0.001 0.000 0.295 220 T C 1.292 176.000 174.700 0.014 0.000 0.897 220 T CA 0.593 62.672 62.100 -0.035 0.000 0.905 220 T CB 0.107 68.881 68.868 -0.156 0.000 1.202 220 T HN 0.409 nan 8.240 nan 0.000 0.592 221 G N 1.781 110.619 108.800 0.063 0.000 2.216 221 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.269 221 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.269 221 G C -0.097 174.831 174.900 0.047 0.000 0.981 221 G CA 0.804 45.935 45.100 0.052 0.000 0.658 221 G HN 0.940 nan 8.290 nan 0.000 0.539 222 E N 0.215 120.445 120.200 0.049 0.000 2.289 222 E HA 0.406 4.755 4.350 -0.001 0.000 0.278 222 E C 0.772 177.411 176.600 0.065 0.000 1.032 222 E CA -0.933 55.490 56.400 0.038 0.000 0.854 222 E CB 0.346 30.049 29.700 0.005 0.000 1.046 222 E HN 0.362 nan 8.360 nan 0.000 0.409 223 R N 5.159 125.687 120.500 0.046 0.000 2.351 223 R HA 0.017 4.356 4.340 -0.001 0.000 0.318 223 R C 0.755 177.084 176.300 0.048 0.000 1.055 223 R CA -0.153 55.975 56.100 0.047 0.000 0.968 223 R CB 0.420 30.740 30.300 0.033 0.000 0.974 223 R HN 0.665 nan 8.270 nan 0.000 0.439 224 M N 4.102 123.738 119.600 0.060 0.000 2.486 224 M HA 0.168 4.648 4.480 -0.001 0.000 0.264 224 M C -0.021 176.302 176.300 0.038 0.000 1.125 224 M CA 0.813 56.147 55.300 0.055 0.000 1.144 224 M CB -0.289 32.358 32.600 0.078 0.000 1.353 224 M HN 0.504 nan 8.290 nan 0.000 0.466 225 L N -1.321 119.924 121.223 0.037 0.000 2.469 225 L HA 0.459 4.798 4.340 -0.001 0.000 0.256 225 L C -2.515 174.373 176.870 0.030 0.000 1.006 225 L CA -2.007 52.849 54.840 0.028 0.000 0.832 225 L CB 1.955 44.032 42.059 0.029 0.000 1.421 225 L HN -0.195 nan 8.230 nan 0.000 0.410 226 P HA 0.066 nan 4.420 nan 0.000 0.272 226 P C 0.411 177.737 177.300 0.044 0.000 1.223 226 P CA -0.272 62.852 63.100 0.039 0.000 0.784 226 P CB 0.876 32.608 31.700 0.052 0.000 0.923 227 S N 1.938 117.663 115.700 0.041 0.000 2.399 227 S HA -0.177 4.292 4.470 -0.001 0.000 0.231 227 S C 1.786 176.415 174.600 0.049 0.000 1.022 227 S CA 1.001 59.224 58.200 0.039 0.000 0.983 227 S CB -1.169 62.050 63.200 0.031 0.000 0.803 227 S HN 0.426 nan 8.310 nan 0.000 0.480 228 I N 0.849 121.457 120.570 0.064 0.000 2.676 228 I HA -0.040 4.129 4.170 -0.001 0.000 0.259 228 I C 1.939 178.174 176.117 0.196 0.000 1.194 228 I CA 0.551 61.906 61.300 0.091 0.000 1.473 228 I CB 0.066 38.100 38.000 0.057 0.000 1.096 228 I HN 0.211 nan 8.210 nan 0.000 0.443 229 V N 0.542 120.548 119.914 0.153 0.000 2.407 229 V HA -0.137 3.982 4.120 -0.001 0.000 0.245 229 V C 2.570 178.670 176.094 0.009 0.000 1.041 229 V CA 1.563 63.907 62.300 0.073 0.000 1.040 229 V CB -0.679 31.121 31.823 -0.040 0.000 0.671 229 V HN 0.477 nan 8.190 nan 0.000 0.455 230 A N 0.354 123.189 122.820 0.026 0.000 1.902 230 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 230 A C 2.386 179.986 177.584 0.027 0.000 1.181 230 A CA 2.045 54.094 52.037 0.020 0.000 0.623 230 A CB -0.577 18.442 19.000 0.031 0.000 0.818 230 A HN 0.474 nan 8.150 nan 0.000 0.443 231 R N -0.594 119.933 120.500 0.044 0.000 2.091 231 R HA -0.226 4.113 4.340 -0.001 0.000 0.238 231 R C 2.364 178.697 176.300 0.055 0.000 1.136 231 R CA 2.030 58.156 56.100 0.044 0.000 0.959 231 R CB -0.232 30.091 30.300 0.039 0.000 0.856 231 R HN 0.415 nan 8.270 nan 0.000 0.437 232 R N 0.240 120.789 120.500 0.083 0.000 2.075 232 R HA -0.059 4.280 4.340 -0.001 0.000 0.232 232 R C 2.018 178.365 176.300 0.079 0.000 1.126 232 R CA 1.793 57.957 56.100 0.106 0.000 0.963 232 R CB -0.677 29.734 30.300 0.186 0.000 0.858 232 R HN 0.156 nan 8.270 nan 0.000 0.435 233 V N 0.021 119.939 119.914 0.007 0.000 2.332 233 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 233 V C 2.292 178.413 176.094 0.045 0.000 1.055 233 V CA 1.866 64.191 62.300 0.041 0.000 1.038 233 V CB -0.424 31.378 31.823 -0.034 0.000 0.651 233 V HN 0.214 nan 8.190 nan 0.000 0.450 234 V N -0.337 119.591 119.914 0.023 0.000 2.427 234 V HA -0.205 3.915 4.120 -0.001 0.000 0.248 234 V C 2.514 178.628 176.094 0.034 0.000 1.051 234 V CA 2.056 64.367 62.300 0.018 0.000 1.048 234 V CB -0.745 31.090 31.823 0.020 0.000 0.666 234 V HN 0.542 nan 8.190 nan 0.000 0.456 235 S N 0.096 115.826 115.700 0.051 0.000 2.383 235 S HA -0.162 4.308 4.470 -0.001 0.000 0.229 235 S C 1.966 176.600 174.600 0.058 0.000 1.030 235 S CA 1.535 59.769 58.200 0.056 0.000 1.002 235 S CB -0.214 63.026 63.200 0.067 0.000 0.829 235 S HN 0.406 nan 8.310 nan 0.000 0.467 236 V N 1.518 121.483 119.914 0.084 0.000 2.719 236 V HA -0.019 4.101 4.120 -0.001 0.000 0.252 236 V C 2.066 178.156 176.094 -0.008 0.000 1.065 236 V CA 1.186 63.522 62.300 0.061 0.000 1.086 236 V CB -0.527 31.376 31.823 0.133 0.000 0.700 236 V HN 0.475 nan 8.190 nan 0.000 0.467 237 M N -0.457 119.136 119.600 -0.012 0.000 2.175 237 M HA -0.142 4.337 4.480 -0.001 0.000 0.264 237 M C 2.207 178.478 176.300 -0.048 0.000 1.063 237 M CA 1.842 57.104 55.300 -0.064 0.000 1.119 237 M CB -0.530 32.035 32.600 -0.059 0.000 1.377 237 M HN 0.333 nan 8.290 nan 0.000 0.415 238 T N -0.064 114.494 114.554 0.007 0.000 2.857 238 T HA -0.073 4.276 4.350 -0.001 0.000 0.266 238 T C 1.913 176.637 174.700 0.040 0.000 1.048 238 T CA 1.720 63.849 62.100 0.048 0.000 1.139 238 T CB -0.198 68.703 68.868 0.055 0.000 0.874 238 T HN 0.529 nan 8.240 nan 0.000 0.455 239 S N 0.246 115.953 115.700 0.013 0.000 2.486 239 S HA 0.150 4.620 4.470 -0.001 0.000 0.220 239 S C 1.866 176.452 174.600 -0.023 0.000 1.011 239 S CA 0.274 58.481 58.200 0.011 0.000 0.921 239 S CB 0.124 63.336 63.200 0.018 0.000 0.785 239 S HN 0.307 nan 8.310 nan 0.000 0.517 240 S N 0.258 115.913 115.700 -0.076 0.000 2.631 240 S HA 0.355 4.824 4.470 -0.001 0.000 0.246 240 S C 1.885 176.296 174.600 -0.314 0.000 1.068 240 S CA 0.079 58.197 58.200 -0.136 0.000 0.995 240 S CB -0.119 63.016 63.200 -0.108 0.000 0.944 240 S HN 0.590 nan 8.310 nan 0.000 0.529 241 G N 2.496 111.116 108.800 -0.300 0.000 2.547 241 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.221 241 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.221 241 G C 1.009 175.503 174.900 -0.678 0.000 1.140 241 G CA 1.107 45.943 45.100 -0.439 0.000 0.760 241 G HN 0.381 nan 8.290 nan 0.000 0.583 242 M N 0.052 119.337 119.600 -0.525 0.000 2.549 242 M HA 0.325 4.804 4.480 -0.001 0.000 0.273 242 M C 0.219 176.415 176.300 -0.173 0.000 1.213 242 M CA -1.118 53.915 55.300 -0.445 0.000 0.976 242 M CB -1.232 31.132 32.600 -0.394 0.000 1.457 242 M HN 0.393 nan 8.290 nan 0.000 0.485 243 Y N -0.386 119.867 120.300 -0.079 0.000 2.885 243 Y HA -0.416 4.134 4.550 -0.000 0.000 0.466 243 Y C 1.206 177.091 175.900 -0.024 0.000 1.189 243 Y CA 1.159 59.230 58.100 -0.049 0.000 2.539 243 Y CB -1.346 37.083 38.460 -0.050 0.000 1.224 243 Y HN 0.185 nan 8.280 nan 0.000 0.631 244 D N 0.611 121.125 120.400 0.190 0.000 2.392 244 D HA 0.177 4.817 4.640 -0.001 0.000 0.228 244 D C 0.879 177.232 176.300 0.088 0.000 1.003 244 D CA 1.204 55.262 54.000 0.096 0.000 0.917 244 D CB -0.284 40.551 40.800 0.058 0.000 0.890 244 D HN 0.529 nan 8.370 nan 0.000 0.532 245 A N -0.379 122.506 122.820 0.109 0.000 2.631 245 A HA 0.556 4.875 4.320 -0.001 0.000 0.294 245 A C 1.663 179.334 177.584 0.146 0.000 1.156 245 A CA 0.134 52.241 52.037 0.116 0.000 0.963 245 A CB 0.409 19.483 19.000 0.123 0.000 1.202 245 A HN 0.075 nan 8.150 nan 0.000 0.523 246 A N -0.425 122.461 122.820 0.110 0.000 2.067 246 A HA 0.281 4.601 4.320 -0.001 0.000 0.217 246 A C 2.059 179.744 177.584 0.167 0.000 1.156 246 A CA 1.611 53.726 52.037 0.130 0.000 0.683 246 A CB -0.554 18.477 19.000 0.051 0.000 0.808 246 A HN 0.691 nan 8.150 nan 0.000 0.455 247 G N 0.473 109.345 108.800 0.121 0.000 2.434 247 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.214 247 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.214 247 G C 1.566 176.533 174.900 0.111 0.000 1.202 247 G CA 1.153 46.313 45.100 0.100 0.000 0.788 247 G HN 0.702 nan 8.290 nan 0.000 0.539 248 Q N -0.699 119.172 119.800 0.119 0.000 2.224 248 Q HA -0.097 4.243 4.340 -0.001 0.000 0.203 248 Q C 2.174 178.248 176.000 0.124 0.000 0.970 248 Q CA 1.482 57.348 55.803 0.105 0.000 0.865 248 Q CB -0.679 28.119 28.738 0.099 0.000 0.922 248 Q HN 0.668 nan 8.270 nan 0.000 0.445 249 W N 0.967 122.283 121.300 0.027 0.000 2.418 249 W HA -0.010 4.650 4.660 -0.001 0.000 0.292 249 W C 1.455 177.985 176.519 0.019 0.000 1.213 249 W CA 0.706 58.063 57.345 0.020 0.000 1.283 249 W CB -0.149 29.313 29.460 0.004 0.000 1.119 249 W HN 0.316 nan 8.180 nan 0.000 0.542 250 L N 1.380 122.663 121.223 0.101 0.000 2.083 250 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 250 L C 2.465 179.336 176.870 0.002 0.000 1.083 250 L CA 2.033 56.885 54.840 0.020 0.000 0.752 250 L CB -0.959 41.160 42.059 0.100 0.000 0.899 250 L HN -0.015 nan 8.230 nan 0.000 0.433 251 A N -0.240 122.608 122.820 0.047 0.000 1.840 251 A HA -0.208 4.111 4.320 -0.001 0.000 0.214 251 A C 1.853 179.494 177.584 0.095 0.000 1.198 251 A CA 1.687 53.776 52.037 0.087 0.000 0.608 251 A CB -0.645 18.378 19.000 0.038 0.000 0.839 251 A HN 0.451 nan 8.150 nan 0.000 0.443 252 D N -0.725 119.655 120.400 -0.034 0.000 2.219 252 D HA -0.049 4.591 4.640 -0.001 0.000 0.205 252 D C 1.847 178.034 176.300 -0.189 0.000 0.970 252 D CA 1.567 55.514 54.000 -0.089 0.000 0.851 252 D CB 0.098 40.840 40.800 -0.098 0.000 0.943 252 D HN 0.285 nan 8.370 nan 0.000 0.488 253 V N -1.188 118.449 119.914 -0.462 0.000 2.996 253 V HA 0.268 4.387 4.120 -0.001 0.000 0.235 253 V C 1.695 177.393 176.094 -0.659 0.000 1.205 253 V CA 0.689 62.594 62.300 -0.657 0.000 1.225 253 V CB 0.252 31.170 31.823 -1.509 0.000 0.995 253 V HN 0.238 nan 8.190 nan 0.000 0.484 254 G N 1.118 109.452 108.800 -0.776 0.000 2.148 254 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.254 254 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.254 254 G C 0.044 174.661 174.900 -0.472 0.000 0.981 254 G CA 0.392 44.887 45.100 -1.007 0.000 0.670 254 G HN 0.481 nan 8.290 nan 0.000 0.528 255 I N 1.214 121.635 120.570 -0.248 0.000 2.354 255 I HA 0.269 4.439 4.170 -0.001 0.000 0.286 255 I C -2.299 174.014 176.117 0.326 0.000 1.007 255 I CA -2.401 58.930 61.300 0.053 0.000 1.167 255 I CB 2.043 40.105 38.000 0.103 0.000 1.320 255 I HN -0.192 nan 8.210 nan 0.000 0.458 256 P HA 0.103 nan 4.420 nan 0.000 0.262 256 P C -0.753 176.617 177.300 0.117 0.000 1.199 256 P CA 0.300 63.484 63.100 0.140 0.000 0.763 256 P CB 0.605 32.342 31.700 0.063 0.000 0.790 257 A N 2.932 125.767 122.820 0.026 0.000 2.589 257 A HA 0.718 5.037 4.320 -0.001 0.000 0.296 257 A C -1.295 176.152 177.584 -0.228 0.000 1.062 257 A CA -0.583 51.415 52.037 -0.066 0.000 0.686 257 A CB 1.557 20.563 19.000 0.010 0.000 1.282 257 A HN 0.295 nan 8.150 nan 0.000 0.404 258 K N 0.330 120.629 120.400 -0.168 0.000 2.378 258 K HA 0.720 5.039 4.320 -0.001 0.000 0.252 258 K C -0.645 175.883 176.600 -0.119 0.000 0.931 258 K CA -0.095 56.077 56.287 -0.191 0.000 0.794 258 K CB 1.996 34.404 32.500 -0.153 0.000 1.181 258 K HN 0.779 nan 8.250 nan 0.000 0.425 259 S N 1.553 117.178 115.700 -0.125 0.000 2.549 259 S HA 0.838 5.307 4.470 -0.001 0.000 0.297 259 S C -0.619 173.988 174.600 0.012 0.000 1.115 259 S CA -0.459 57.709 58.200 -0.053 0.000 1.059 259 S CB 1.018 64.172 63.200 -0.078 0.000 1.046 259 S HN 0.708 nan 8.310 nan 0.000 0.506 260 G N 1.006 109.830 108.800 0.040 0.000 2.452 260 G HA2 0.459 4.419 3.960 -0.001 0.000 0.324 260 G HA3 0.459 4.419 3.960 -0.001 0.000 0.324 260 G C 0.878 175.821 174.900 0.071 0.000 1.214 260 G CA -0.436 44.710 45.100 0.076 0.000 0.947 260 G HN 1.166 nan 8.290 nan 0.000 0.478 261 V N -0.410 119.565 119.914 0.101 0.000 3.140 261 V HA -0.027 4.093 4.120 -0.001 0.000 0.269 261 V C 2.312 178.462 176.094 0.094 0.000 1.149 261 V CA 2.163 64.529 62.300 0.109 0.000 1.162 261 V CB -0.796 31.139 31.823 0.186 0.000 0.756 261 V HN 0.794 nan 8.190 nan 0.000 0.523 262 A N 0.229 123.109 122.820 0.100 0.000 2.067 262 A HA 0.449 4.769 4.320 -0.001 0.000 0.217 262 A C 2.172 179.789 177.584 0.055 0.000 1.156 262 A CA 1.386 53.487 52.037 0.107 0.000 0.683 262 A CB -0.425 18.694 19.000 0.199 0.000 0.808 262 A HN 1.601 nan 8.150 nan 0.000 0.455 263 G N -2.764 106.022 108.800 -0.024 0.000 2.227 263 G HA2 0.092 4.052 3.960 -0.001 0.000 0.168 263 G HA3 0.092 4.052 3.960 -0.001 0.000 0.168 263 G C 0.568 175.385 174.900 -0.137 0.000 1.006 263 G CA 0.044 45.105 45.100 -0.066 0.000 0.684 263 G HN 1.256 nan 8.290 nan 0.000 0.489 264 G N -0.572 108.038 108.800 -0.317 0.000 2.425 264 G HA2 0.682 4.641 3.960 -0.001 0.000 0.302 264 G HA3 0.682 4.641 3.960 -0.001 0.000 0.302 264 G C -0.601 174.305 174.900 0.011 0.000 1.159 264 G CA -0.082 44.873 45.100 -0.242 0.000 0.865 264 G HN 1.012 nan 8.290 nan 0.000 0.515 265 V N 2.452 122.415 119.914 0.080 0.000 2.577 265 V HA 0.399 4.518 4.120 -0.001 0.000 0.303 265 V C -0.246 175.918 176.094 0.117 0.000 1.042 265 V CA -0.854 61.489 62.300 0.072 0.000 0.872 265 V CB 1.653 33.512 31.823 0.059 0.000 0.998 265 V HN 0.701 nan 8.190 nan 0.000 0.423 266 L N 3.946 125.224 121.223 0.092 0.000 2.309 266 L HA 0.919 5.259 4.340 -0.001 0.000 0.282 266 L C 0.264 177.184 176.870 0.084 0.000 1.036 266 L CA 0.125 55.033 54.840 0.112 0.000 0.806 266 L CB 1.497 43.621 42.059 0.108 0.000 1.220 266 L HN 0.844 nan 8.230 nan 0.000 0.429 267 G N 2.938 111.804 108.800 0.110 0.000 2.563 267 G HA2 0.757 4.717 3.960 -0.001 0.000 0.302 267 G HA3 0.757 4.717 3.960 -0.001 0.000 0.302 267 G C -1.664 173.290 174.900 0.091 0.000 1.301 267 G CA -0.359 44.806 45.100 0.110 0.000 0.965 267 G HN 0.853 nan 8.290 nan 0.000 0.480 268 A N 1.136 124.001 122.820 0.075 0.000 2.667 268 A HA 0.524 4.843 4.320 -0.001 0.000 0.291 268 A C -1.431 176.182 177.584 0.050 0.000 1.123 268 A CA -0.442 51.630 52.037 0.058 0.000 0.832 268 A CB 1.078 20.103 19.000 0.042 0.000 1.396 268 A HN 1.088 nan 8.150 nan 0.000 0.401 269 L N 3.938 125.190 121.223 0.049 0.000 2.270 269 L HA 0.534 4.874 4.340 -0.001 0.000 0.286 269 L C -2.479 174.410 176.870 0.031 0.000 1.059 269 L CA -1.948 52.914 54.840 0.037 0.000 0.839 269 L CB 0.568 42.649 42.059 0.036 0.000 1.221 269 L HN 0.322 nan 8.230 nan 0.000 0.431 270 P HA 0.015 nan 4.420 nan 0.000 0.257 270 P C 0.812 178.127 177.300 0.026 0.000 1.144 270 P CA 1.397 64.513 63.100 0.027 0.000 0.761 270 P CB 0.247 31.963 31.700 0.027 0.000 0.734 271 G N 3.152 111.967 108.800 0.024 0.000 2.187 271 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.261 271 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.261 271 G C 0.903 175.815 174.900 0.020 0.000 1.000 271 G CA 0.717 45.831 45.100 0.023 0.000 0.718 271 G HN 0.562 nan 8.290 nan 0.000 0.519 272 R N -2.083 118.430 120.500 0.021 0.000 2.756 272 R HA 0.623 4.962 4.340 -0.001 0.000 0.170 272 R C 0.140 176.451 176.300 0.019 0.000 0.800 272 R CA 0.676 56.787 56.100 0.018 0.000 1.052 272 R CB 1.173 31.486 30.300 0.021 0.000 1.437 272 R HN 0.732 nan 8.270 nan 0.000 0.607 273 V N 0.122 120.053 119.914 0.029 0.000 3.108 273 V HA 0.608 4.728 4.120 -0.001 0.000 0.287 273 V C -1.659 174.463 176.094 0.047 0.000 1.436 273 V CA -0.718 61.603 62.300 0.035 0.000 1.001 273 V CB 1.938 33.792 31.823 0.051 0.000 1.141 273 V HN 0.322 nan 8.190 nan 0.000 0.443 274 G N 4.763 113.588 108.800 0.042 0.000 2.389 274 G HA2 0.764 4.723 3.960 -0.001 0.000 0.317 274 G HA3 0.764 4.723 3.960 -0.001 0.000 0.317 274 G C -1.055 173.892 174.900 0.078 0.000 1.137 274 G CA -0.569 44.564 45.100 0.055 0.000 0.870 274 G HN 0.789 nan 8.290 nan 0.000 0.496 275 I N 0.174 120.806 120.570 0.102 0.000 2.828 275 I HA 0.677 4.847 4.170 -0.001 0.000 0.302 275 I C 0.212 176.413 176.117 0.140 0.000 1.101 275 I CA -1.016 60.360 61.300 0.126 0.000 1.031 275 I CB 2.887 40.975 38.000 0.146 0.000 1.231 275 I HN 0.658 nan 8.210 nan 0.000 0.427 276 G N 3.503 112.396 108.800 0.154 0.000 2.719 276 G HA2 0.673 4.633 3.960 -0.001 0.000 0.298 276 G HA3 0.673 4.633 3.960 -0.001 0.000 0.298 276 G C -1.543 173.481 174.900 0.207 0.000 1.433 276 G CA -0.316 44.895 45.100 0.184 0.000 1.034 276 G HN 0.334 nan 8.290 nan 0.000 0.517 277 V N 1.519 121.571 119.914 0.229 0.000 3.040 277 V HA 0.825 4.945 4.120 -0.001 0.000 0.312 277 V C -1.372 174.898 176.094 0.294 0.000 1.115 277 V CA -0.895 61.558 62.300 0.254 0.000 0.998 277 V CB 2.245 34.203 31.823 0.225 0.000 1.042 277 V HN 0.797 nan 8.190 nan 0.000 0.433 278 F N 1.925 121.941 119.950 0.110 0.000 2.630 278 F HA 0.729 5.255 4.527 -0.001 0.000 0.325 278 F C -0.598 175.221 175.800 0.032 0.000 1.184 278 F CA -0.529 57.429 58.000 -0.070 0.000 1.011 278 F CB 1.892 40.867 39.000 -0.043 0.000 1.268 278 F HN 0.437 nan 8.300 nan 0.000 0.480 279 S N 7.836 123.206 115.700 -0.550 0.000 2.333 279 S HA 0.356 4.825 4.470 -0.001 0.000 0.208 279 S C -2.446 171.876 174.600 -0.463 0.000 0.911 279 S CA -0.723 57.099 58.200 -0.630 0.000 1.075 279 S CB 0.984 63.846 63.200 -0.565 0.000 1.293 279 S HN 0.390 nan 8.310 nan 0.000 0.396 280 P HA -0.168 nan 4.420 nan 0.000 0.220 280 P C 0.027 177.244 177.300 -0.139 0.000 1.155 280 P CA 1.284 64.266 63.100 -0.197 0.000 0.880 280 P CB 0.044 31.657 31.700 -0.145 0.000 0.790 281 R N 0.041 120.439 120.500 -0.170 0.000 2.401 281 R HA 0.227 4.567 4.340 -0.001 0.000 0.299 281 R C 0.109 176.345 176.300 -0.106 0.000 1.064 281 R CA -0.146 55.882 56.100 -0.122 0.000 1.000 281 R CB -0.108 30.116 30.300 -0.127 0.000 0.973 281 R HN 0.168 nan 8.270 nan 0.000 0.438 282 L N 2.903 124.087 121.223 -0.064 0.000 2.343 282 L HA 0.259 4.599 4.340 -0.001 0.000 0.275 282 L C 0.473 177.321 176.870 -0.036 0.000 1.056 282 L CA -0.867 53.947 54.840 -0.043 0.000 0.804 282 L CB 1.264 43.314 42.059 -0.015 0.000 1.203 282 L HN 0.681 nan 8.230 nan 0.000 0.440 283 D N 0.372 120.756 120.400 -0.027 0.000 2.403 283 D HA -0.026 4.613 4.640 -0.001 0.000 0.278 283 D C 0.892 177.186 176.300 -0.010 0.000 1.230 283 D CA -0.409 53.580 54.000 -0.018 0.000 1.062 283 D CB 0.250 41.046 40.800 -0.007 0.000 1.119 283 D HN 0.585 nan 8.370 nan 0.000 0.557 284 E N -0.209 119.988 120.200 -0.005 0.000 2.418 284 E HA -0.117 4.233 4.350 -0.001 0.000 0.197 284 E C 1.502 178.098 176.600 -0.007 0.000 1.026 284 E CA 0.942 57.339 56.400 -0.005 0.000 0.862 284 E CB -0.522 29.177 29.700 -0.003 0.000 0.799 284 E HN 0.428 nan 8.360 nan 0.000 0.518 285 V N -4.039 115.874 119.914 -0.002 0.000 3.427 285 V HA 0.592 4.712 4.120 -0.001 0.000 0.305 285 V C 1.207 177.294 176.094 -0.012 0.000 1.412 285 V CA 0.280 62.574 62.300 -0.010 0.000 1.086 285 V CB 0.141 31.971 31.823 0.011 0.000 0.964 285 V HN 0.268 nan 8.190 nan 0.000 0.439 286 G N 0.770 109.569 108.800 -0.002 0.000 2.176 286 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.232 286 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.232 286 G C 0.009 174.921 174.900 0.020 0.000 0.986 286 G CA 0.191 45.296 45.100 0.009 0.000 0.643 286 G HN 0.598 nan 8.290 nan 0.000 0.522 287 N N 0.242 118.948 118.700 0.010 0.000 2.413 287 N HA 0.469 5.208 4.740 -0.001 0.000 0.266 287 N C 0.191 175.686 175.510 -0.025 0.000 1.238 287 N CA 0.239 53.284 53.050 -0.009 0.000 0.972 287 N CB 1.109 39.576 38.487 -0.032 0.000 1.210 287 N HN 0.150 nan 8.380 nan 0.000 0.547 288 S N 0.322 115.997 115.700 -0.041 0.000 2.416 288 S HA 0.285 4.755 4.470 -0.001 0.000 0.302 288 S C 1.308 175.863 174.600 -0.074 0.000 1.120 288 S CA -0.441 57.717 58.200 -0.070 0.000 1.067 288 S CB -0.406 62.750 63.200 -0.073 0.000 1.057 288 S HN 0.548 nan 8.310 nan 0.000 0.518 289 A N 6.330 129.098 122.820 -0.087 0.000 1.906 289 A HA -0.250 4.070 4.320 -0.001 0.000 0.222 289 A C 2.155 179.679 177.584 -0.100 0.000 1.282 289 A CA 2.221 54.209 52.037 -0.082 0.000 0.675 289 A CB -0.597 18.341 19.000 -0.102 0.000 0.838 289 A HN 0.869 nan 8.150 nan 0.000 0.469 290 R N -1.153 119.221 120.500 -0.210 0.000 2.240 290 R HA 0.110 4.449 4.340 -0.001 0.000 0.203 290 R C 2.235 178.452 176.300 -0.138 0.000 1.011 290 R CA 0.654 56.586 56.100 -0.279 0.000 1.007 290 R CB -0.348 29.509 30.300 -0.738 0.000 0.911 290 R HN 0.542 nan 8.270 nan 0.000 0.468 291 G N 0.451 109.197 108.800 -0.090 0.000 2.403 291 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.216 291 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.216 291 G C 1.417 176.389 174.900 0.121 0.000 1.154 291 G CA 0.912 46.038 45.100 0.044 0.000 0.784 291 G HN 0.276 nan 8.290 nan 0.000 0.538 292 V N -1.502 118.479 119.914 0.112 0.000 3.052 292 V HA 0.204 4.323 4.120 -0.001 0.000 0.254 292 V C 2.409 178.658 176.094 0.258 0.000 1.100 292 V CA 0.914 63.369 62.300 0.258 0.000 1.112 292 V CB -0.174 31.786 31.823 0.227 0.000 0.738 292 V HN 0.157 nan 8.190 nan 0.000 0.469 293 L N 1.588 122.892 121.223 0.135 0.000 2.156 293 L HA 0.318 4.658 4.340 -0.001 0.000 0.208 293 L C 2.544 179.480 176.870 0.111 0.000 1.095 293 L CA 1.995 56.894 54.840 0.097 0.000 0.770 293 L CB -0.865 41.218 42.059 0.039 0.000 0.914 293 L HN 0.305 nan 8.230 nan 0.000 0.439 294 A N -1.880 121.030 122.820 0.150 0.000 2.014 294 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 294 A C 2.291 179.971 177.584 0.161 0.000 1.163 294 A CA 1.468 53.610 52.037 0.175 0.000 0.652 294 A CB -1.169 17.986 19.000 0.258 0.000 0.808 294 A HN 0.573 nan 8.150 nan 0.000 0.449 295 C N -1.581 117.832 119.300 0.189 0.000 2.492 295 C HA 0.094 4.554 4.460 -0.001 0.000 0.279 295 C C 2.683 177.700 174.990 0.045 0.000 1.335 295 C CA 0.746 59.870 59.018 0.177 0.000 1.734 295 C CB -1.005 26.946 27.740 0.352 0.000 2.027 295 C HN 0.689 nan 8.230 nan 0.000 0.496 296 R N 0.732 121.241 120.500 0.014 0.000 2.120 296 R HA -0.088 4.252 4.340 -0.001 0.000 0.234 296 R C 2.366 178.656 176.300 -0.015 0.000 1.123 296 R CA 1.169 57.224 56.100 -0.075 0.000 0.975 296 R CB -0.135 30.141 30.300 -0.040 0.000 0.866 296 R HN 0.396 nan 8.270 nan 0.000 0.446 297 R N 0.601 121.121 120.500 0.033 0.000 2.055 297 R HA -0.056 4.284 4.340 -0.001 0.000 0.228 297 R C 2.386 178.719 176.300 0.055 0.000 1.143 297 R CA 1.093 57.218 56.100 0.041 0.000 0.945 297 R CB -1.006 29.323 30.300 0.049 0.000 0.841 297 R HN 0.272 nan 8.270 nan 0.000 0.429 298 L N 0.588 121.874 121.223 0.105 0.000 2.129 298 L HA -0.218 4.121 4.340 -0.001 0.000 0.212 298 L C 2.604 179.533 176.870 0.098 0.000 1.087 298 L CA 1.478 56.401 54.840 0.139 0.000 0.757 298 L CB -0.425 41.769 42.059 0.225 0.000 0.896 298 L HN 0.217 nan 8.230 nan 0.000 0.434 299 S N -0.541 115.196 115.700 0.063 0.000 2.387 299 S HA -0.145 4.325 4.470 -0.001 0.000 0.226 299 S C 1.777 176.409 174.600 0.053 0.000 1.026 299 S CA 1.159 59.390 58.200 0.051 0.000 0.972 299 S CB -0.007 63.178 63.200 -0.026 0.000 0.814 299 S HN 0.490 nan 8.310 nan 0.000 0.477 300 E N 0.254 120.463 120.200 0.015 0.000 2.230 300 E HA -0.032 4.317 4.350 -0.001 0.000 0.192 300 E C 1.211 177.800 176.600 -0.019 0.000 0.987 300 E CA 0.927 57.329 56.400 0.003 0.000 0.841 300 E CB 0.008 29.702 29.700 -0.009 0.000 0.783 300 E HN 0.518 nan 8.360 nan 0.000 0.481 301 D N -0.379 119.974 120.400 -0.077 0.000 2.305 301 D HA 0.013 4.653 4.640 -0.001 0.000 0.206 301 D C 1.012 177.196 176.300 -0.194 0.000 0.974 301 D CA 0.711 54.590 54.000 -0.202 0.000 0.871 301 D CB 0.208 40.803 40.800 -0.341 0.000 0.947 301 D HN 0.200 nan 8.370 nan 0.000 0.516 302 F N -0.004 119.905 119.950 -0.068 0.000 2.706 302 F HA 0.204 4.731 4.527 -0.001 0.000 0.313 302 F C 0.411 176.194 175.800 -0.028 0.000 1.096 302 F CA -0.687 57.264 58.000 -0.082 0.000 1.219 302 F CB 0.814 39.754 39.000 -0.099 0.000 1.051 302 F HN -0.395 nan 8.300 nan 0.000 0.568 303 R N 0.943 121.543 120.500 0.168 0.000 3.770 303 R HA -0.174 4.166 4.340 -0.001 0.000 0.305 303 R C -0.427 175.955 176.300 0.137 0.000 1.184 303 R CA 0.297 56.471 56.100 0.123 0.000 0.823 303 R CB -2.706 27.645 30.300 0.084 0.000 1.285 303 R HN 0.341 nan 8.270 nan 0.000 0.499 304 L N 1.680 122.994 121.223 0.152 0.000 2.376 304 L HA 0.119 4.459 4.340 -0.001 0.000 0.250 304 L C 0.877 177.791 176.870 0.074 0.000 1.335 304 L CA 0.278 55.186 54.840 0.113 0.000 1.214 304 L CB -0.154 41.986 42.059 0.136 0.000 1.395 304 L HN 0.083 nan 8.230 nan 0.000 0.424 305 H N 1.186 120.267 119.070 0.018 0.000 2.538 305 H HA 0.118 4.673 4.556 -0.001 0.000 0.353 305 H C 0.421 175.751 175.328 0.002 0.000 1.109 305 H CA -0.754 55.289 56.048 -0.009 0.000 1.192 305 H CB 2.291 32.038 29.762 -0.024 0.000 1.555 305 H HN 0.254 nan 8.280 nan 0.000 0.518 306 L N 3.707 124.821 121.223 -0.181 0.000 2.187 306 L HA -0.102 4.237 4.340 -0.001 0.000 0.213 306 L C 1.532 178.479 176.870 0.128 0.000 1.100 306 L CA 1.592 56.426 54.840 -0.009 0.000 0.765 306 L CB -0.274 41.749 42.059 -0.060 0.000 0.904 306 L HN 0.604 nan 8.230 nan 0.000 0.437 307 M N -1.039 118.765 119.600 0.339 0.000 2.431 307 M HA 0.144 4.624 4.480 -0.001 0.000 0.237 307 M C -0.182 176.188 176.300 0.116 0.000 1.130 307 M CA 0.158 55.577 55.300 0.199 0.000 1.002 307 M CB -0.153 32.542 32.600 0.159 0.000 1.524 307 M HN -0.046 nan 8.290 nan 0.000 0.482 308 D N 1.125 121.610 120.400 0.141 0.000 2.564 308 D HA 0.286 4.926 4.640 -0.001 0.000 0.226 308 D C 0.453 176.787 176.300 0.056 0.000 1.149 308 D CA 0.078 54.121 54.000 0.072 0.000 0.994 308 D CB 0.122 40.977 40.800 0.091 0.000 1.029 308 D HN 0.250 nan 8.370 nan 0.000 0.517 309 G N 1.193 110.017 108.800 0.040 0.000 2.583 309 G HA2 0.008 3.968 3.960 -0.001 0.000 0.230 309 G HA3 0.008 3.968 3.960 -0.001 0.000 0.230 309 G C 0.222 175.138 174.900 0.026 0.000 1.249 309 G CA 0.065 45.184 45.100 0.032 0.000 0.857 309 G HN 0.357 nan 8.290 nan 0.000 0.569 310 D N -0.704 119.711 120.400 0.025 0.000 3.118 310 D HA 0.208 4.848 4.640 -0.001 0.000 0.259 310 D C -0.104 176.208 176.300 0.020 0.000 1.292 310 D CA -0.414 53.598 54.000 0.019 0.000 0.784 310 D CB 0.346 41.157 40.800 0.019 0.000 1.413 310 D HN 0.325 nan 8.370 nan 0.000 0.583 311 S N 0.721 116.433 115.700 0.020 0.000 2.672 311 S HA 0.343 4.813 4.470 -0.001 0.000 0.276 311 S C 1.063 175.672 174.600 0.015 0.000 1.207 311 S CA -0.607 57.607 58.200 0.023 0.000 1.002 311 S CB 1.089 64.308 63.200 0.031 0.000 0.998 311 S HN 0.368 nan 8.310 nan 0.000 0.542 312 L N 4.290 125.522 121.223 0.015 0.000 2.217 312 L HA 0.269 4.608 4.340 -0.001 0.000 0.211 312 L C 1.439 178.309 176.870 0.001 0.000 1.107 312 L CA 2.157 57.002 54.840 0.009 0.000 0.783 312 L CB -1.459 40.607 42.059 0.010 0.000 0.919 312 L HN 1.061 nan 8.230 nan 0.000 0.442 313 G N -0.574 108.224 108.800 -0.004 0.000 2.602 313 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.306 313 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.306 313 G C 0.985 175.870 174.900 -0.025 0.000 1.301 313 G CA 0.274 45.363 45.100 -0.018 0.000 0.974 313 G HN 0.726 nan 8.290 nan 0.000 0.547 314 G N -1.643 107.143 108.800 -0.023 0.000 2.471 314 G HA2 0.096 4.056 3.960 -0.001 0.000 0.219 314 G HA3 0.096 4.056 3.960 -0.001 0.000 0.219 314 G C 1.626 176.531 174.900 0.008 0.000 1.125 314 G CA 1.917 47.010 45.100 -0.012 0.000 0.775 314 G HN 1.191 nan 8.290 nan 0.000 0.548 315 T N 1.432 115.991 114.554 0.010 0.000 3.179 315 T HA 0.085 4.435 4.350 -0.001 0.000 0.269 315 T C 2.366 177.081 174.700 0.025 0.000 1.187 315 T CA 0.821 62.936 62.100 0.025 0.000 1.054 315 T CB -0.159 68.721 68.868 0.019 0.000 0.874 315 T HN 0.401 nan 8.240 nan 0.000 0.568 316 A N 0.524 123.350 122.820 0.010 0.000 2.067 316 A HA 0.206 4.526 4.320 -0.001 0.000 0.217 316 A C 1.154 178.743 177.584 0.008 0.000 1.156 316 A CA 0.278 52.318 52.037 0.004 0.000 0.683 316 A CB 0.192 19.181 19.000 -0.018 0.000 0.808 316 A HN 0.371 nan 8.150 nan 0.000 0.455 317 V N 1.162 121.085 119.914 0.015 0.000 2.320 317 V HA 0.169 4.289 4.120 -0.001 0.000 0.265 317 V C 1.403 177.531 176.094 0.057 0.000 1.048 317 V CA -0.269 62.040 62.300 0.016 0.000 0.865 317 V CB 0.541 32.375 31.823 0.018 0.000 1.043 317 V HN 0.613 nan 8.190 nan 0.000 0.474 318 R N 4.090 124.630 120.500 0.066 0.000 2.070 318 R HA -0.012 4.328 4.340 -0.001 0.000 0.232 318 R C 0.346 176.816 176.300 0.284 0.000 1.138 318 R CA 1.793 57.998 56.100 0.175 0.000 0.936 318 R CB 0.228 30.674 30.300 0.244 0.000 0.839 318 R HN 0.687 nan 8.270 nan 0.000 0.429 319 F N -4.174 115.812 119.950 0.060 0.000 2.741 319 F HA 0.488 5.014 4.527 -0.001 0.000 0.311 319 F C -1.626 174.219 175.800 0.074 0.000 1.149 319 F CA -1.473 56.544 58.000 0.028 0.000 0.930 319 F CB 1.302 40.280 39.000 -0.038 0.000 1.312 319 F HN -0.358 nan 8.300 nan 0.000 0.450 320 V N 1.681 121.712 119.914 0.194 0.000 2.325 320 V HA 0.315 4.435 4.120 -0.001 0.000 0.280 320 V C -0.657 175.571 176.094 0.224 0.000 1.016 320 V CA -0.589 61.785 62.300 0.123 0.000 0.818 320 V CB 1.076 32.930 31.823 0.051 0.000 1.019 320 V HN 0.768 nan 8.190 nan 0.000 0.434 321 E N 3.608 123.999 120.200 0.319 0.000 2.105 321 E HA 0.302 4.651 4.350 -0.001 0.000 0.285 321 E C -0.060 176.689 176.600 0.248 0.000 1.055 321 E CA -0.676 55.896 56.400 0.287 0.000 0.843 321 E CB 1.233 31.113 29.700 0.300 0.000 1.067 321 E HN 0.430 nan 8.360 nan 0.000 0.398 322 R N 3.667 124.256 120.500 0.148 0.000 2.230 322 R HA 0.058 4.398 4.340 -0.001 0.000 0.337 322 R C 0.379 176.745 176.300 0.109 0.000 1.063 322 R CA 0.004 56.178 56.100 0.125 0.000 0.935 322 R CB 0.177 30.519 30.300 0.070 0.000 1.121 322 R HN 0.370 nan 8.270 nan 0.000 0.486 323 E N 2.392 122.681 120.200 0.149 0.000 2.102 323 E HA 0.150 4.499 4.350 -0.001 0.000 0.190 323 E C 0.766 177.411 176.600 0.075 0.000 0.971 323 E CA 1.383 57.844 56.400 0.103 0.000 0.821 323 E CB 0.412 30.203 29.700 0.151 0.000 0.777 323 E HN 0.800 nan 8.360 nan 0.000 0.460 324 G N 0.682 109.530 108.800 0.081 0.000 4.259 324 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.193 324 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.193 324 G C 0.588 175.516 174.900 0.045 0.000 1.373 324 G CA 0.479 45.611 45.100 0.053 0.000 1.011 324 G HN 0.219 nan 8.290 nan 0.000 0.408 325 D N 0.330 120.759 120.400 0.049 0.000 2.473 325 D HA 0.098 4.737 4.640 -0.001 0.000 0.242 325 D C 1.116 177.434 176.300 0.029 0.000 1.106 325 D CA -0.156 53.864 54.000 0.032 0.000 0.854 325 D CB 0.590 41.404 40.800 0.023 0.000 1.192 325 D HN 0.556 nan 8.370 nan 0.000 0.503 326 R N 0.413 120.943 120.500 0.051 0.000 2.700 326 R HA 0.680 5.019 4.340 -0.001 0.000 0.253 326 R C -0.913 175.426 176.300 0.064 0.000 1.091 326 R CA -0.757 55.357 56.100 0.023 0.000 1.104 326 R CB 1.636 31.938 30.300 0.004 0.000 1.202 326 R HN -0.148 nan 8.270 nan 0.000 0.532 327 V N 1.053 120.956 119.914 -0.017 0.000 2.733 327 V HA 0.381 4.501 4.120 -0.001 0.000 0.306 327 V C -1.329 174.731 176.094 -0.056 0.000 1.084 327 V CA -0.767 61.567 62.300 0.057 0.000 0.905 327 V CB 1.674 33.509 31.823 0.020 0.000 1.010 327 V HN 0.567 nan 8.190 nan 0.000 0.424 328 F N 4.627 124.598 119.950 0.036 0.000 2.385 328 F HA 0.640 5.166 4.527 -0.001 0.000 0.360 328 F C -0.161 175.622 175.800 -0.028 0.000 1.122 328 F CA -0.583 57.440 58.000 0.038 0.000 1.090 328 F CB 1.542 40.655 39.000 0.189 0.000 1.150 328 F HN 0.281 nan 8.300 nan 0.000 0.472 329 L N 5.285 126.481 121.223 -0.045 0.000 2.294 329 L HA 0.451 4.790 4.340 -0.001 0.000 0.283 329 L C -1.066 175.642 176.870 -0.270 0.000 1.015 329 L CA -0.408 54.357 54.840 -0.126 0.000 0.831 329 L CB 0.186 42.172 42.059 -0.121 0.000 1.217 329 L HN 0.464 nan 8.230 nan 0.000 0.420 330 H N 4.682 123.476 119.070 -0.460 0.000 2.459 330 H HA 0.655 5.211 4.556 -0.001 0.000 0.332 330 H C -0.604 174.590 175.328 -0.223 0.000 1.094 330 H CA -0.359 55.447 56.048 -0.402 0.000 1.224 330 H CB 1.307 30.627 29.762 -0.736 0.000 1.449 330 H HN 0.480 nan 8.280 nan 0.000 0.484 331 L N 2.506 123.703 121.223 -0.045 0.000 2.304 331 L HA 0.606 4.946 4.340 -0.001 0.000 0.268 331 L C -0.308 176.577 176.870 0.026 0.000 1.010 331 L CA -0.965 53.864 54.840 -0.017 0.000 0.813 331 L CB 1.701 43.735 42.059 -0.041 0.000 1.315 331 L HN 0.724 nan 8.230 nan 0.000 0.445 332 Q N -0.157 119.660 119.800 0.027 0.000 2.702 332 Q HA 0.653 4.992 4.340 -0.001 0.000 0.289 332 Q C -0.431 175.585 176.000 0.028 0.000 0.923 332 Q CA -0.456 55.371 55.803 0.041 0.000 0.787 332 Q CB 2.037 30.814 28.738 0.065 0.000 1.476 332 Q HN 0.874 nan 8.270 nan 0.000 0.402 333 G N -0.360 108.458 108.800 0.029 0.000 2.660 333 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.215 333 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.215 333 G C -1.072 173.839 174.900 0.018 0.000 1.345 333 G CA -0.470 44.644 45.100 0.023 0.000 0.877 333 G HN 0.990 nan 8.290 nan 0.000 0.549 334 V N 0.972 120.896 119.914 0.018 0.000 2.364 334 V HA 0.477 4.597 4.120 -0.001 0.000 0.272 334 V C 0.817 176.920 176.094 0.014 0.000 1.036 334 V CA -0.254 62.056 62.300 0.017 0.000 0.880 334 V CB 1.048 32.884 31.823 0.021 0.000 0.991 334 V HN 0.577 nan 8.190 nan 0.000 0.460 335 I N 6.878 127.454 120.570 0.010 0.000 2.297 335 I HA 0.462 4.631 4.170 -0.001 0.000 0.291 335 I C 0.670 176.795 176.117 0.014 0.000 1.033 335 I CA -0.080 61.222 61.300 0.003 0.000 1.253 335 I CB 0.347 38.342 38.000 -0.010 0.000 1.396 335 I HN 0.622 nan 8.210 nan 0.000 0.476 336 R N 3.449 123.964 120.500 0.025 0.000 3.307 336 R HA 0.375 4.715 4.340 -0.001 0.000 0.227 336 R C 0.800 177.145 176.300 0.075 0.000 1.645 336 R CA -0.791 55.347 56.100 0.063 0.000 1.015 336 R CB 0.361 30.711 30.300 0.083 0.000 1.832 336 R HN 0.426 nan 8.270 nan 0.000 0.533 337 F N 1.601 121.549 119.950 -0.002 0.000 2.202 337 F HA -0.098 4.429 4.527 -0.001 0.000 0.301 337 F C 1.741 177.539 175.800 -0.003 0.000 1.082 337 F CA 2.059 60.057 58.000 -0.003 0.000 1.313 337 F CB -0.476 38.522 39.000 -0.004 0.000 1.024 337 F HN 0.646 nan 8.300 nan 0.000 0.495 338 G N -0.226 108.610 108.800 0.060 0.000 2.459 338 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.217 338 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.217 338 G C 1.875 176.698 174.900 -0.129 0.000 1.183 338 G CA 0.750 45.837 45.100 -0.022 0.000 0.776 338 G HN 0.585 nan 8.290 nan 0.000 0.552 339 G N 0.827 109.575 108.800 -0.086 0.000 2.404 339 G HA2 0.159 4.119 3.960 -0.001 0.000 0.213 339 G HA3 0.159 4.119 3.960 -0.001 0.000 0.213 339 G C 2.111 176.933 174.900 -0.129 0.000 1.189 339 G CA 1.413 46.462 45.100 -0.085 0.000 0.796 339 G HN 0.637 nan 8.290 nan 0.000 0.532 340 A N 0.895 123.633 122.820 -0.136 0.000 1.917 340 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 340 A C 2.177 179.628 177.584 -0.222 0.000 1.182 340 A CA 2.246 54.198 52.037 -0.143 0.000 0.633 340 A CB -0.511 18.427 19.000 -0.103 0.000 0.819 340 A HN 0.432 nan 8.150 nan 0.000 0.448 341 E N 0.417 120.371 120.200 -0.409 0.000 2.058 341 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 341 E C 2.117 178.565 176.600 -0.253 0.000 0.997 341 E CA 1.537 57.647 56.400 -0.483 0.000 0.801 341 E CB -0.364 28.791 29.700 -0.909 0.000 0.746 341 E HN 0.499 nan 8.360 nan 0.000 0.450 342 A N 0.662 123.364 122.820 -0.198 0.000 1.969 342 A HA -0.066 4.253 4.320 -0.001 0.000 0.218 342 A C 2.473 180.009 177.584 -0.080 0.000 1.169 342 A CA 1.286 53.257 52.037 -0.111 0.000 0.635 342 A CB -0.383 18.568 19.000 -0.081 0.000 0.810 342 A HN 0.206 nan 8.150 nan 0.000 0.445 343 V N 0.009 119.869 119.914 -0.089 0.000 2.453 343 V HA -0.184 3.936 4.120 -0.001 0.000 0.247 343 V C 2.374 178.430 176.094 -0.065 0.000 1.048 343 V CA 1.547 63.806 62.300 -0.068 0.000 1.049 343 V CB -0.760 31.021 31.823 -0.071 0.000 0.672 343 V HN 0.558 nan 8.190 nan 0.000 0.457 344 L N -0.152 121.024 121.223 -0.079 0.000 2.275 344 L HA -0.104 4.236 4.340 -0.001 0.000 0.215 344 L C 2.179 179.019 176.870 -0.049 0.000 1.119 344 L CA 1.084 55.886 54.840 -0.063 0.000 0.790 344 L CB -0.558 41.459 42.059 -0.071 0.000 0.919 344 L HN 0.393 nan 8.230 nan 0.000 0.443 345 D N 0.259 120.629 120.400 -0.051 0.000 2.162 345 D HA -0.069 4.570 4.640 -0.001 0.000 0.203 345 D C 2.247 178.536 176.300 -0.019 0.000 0.967 345 D CA 1.265 55.246 54.000 -0.031 0.000 0.840 345 D CB 0.206 40.988 40.800 -0.030 0.000 0.972 345 D HN 0.280 nan 8.370 nan 0.000 0.482 346 A N 1.598 124.405 122.820 -0.021 0.000 1.865 346 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 346 A C 2.431 180.004 177.584 -0.018 0.000 1.191 346 A CA 1.035 53.065 52.037 -0.013 0.000 0.623 346 A CB -0.934 18.056 19.000 -0.017 0.000 0.826 346 A HN 0.148 nan 8.150 nan 0.000 0.444 347 L N -0.746 120.460 121.223 -0.029 0.000 1.989 347 L HA -0.205 4.135 4.340 -0.001 0.000 0.211 347 L C 2.747 179.604 176.870 -0.023 0.000 1.071 347 L CA 1.977 56.798 54.840 -0.030 0.000 0.749 347 L CB -1.303 40.733 42.059 -0.037 0.000 0.890 347 L HN 0.346 nan 8.230 nan 0.000 0.431 348 T N -1.218 113.323 114.554 -0.021 0.000 2.881 348 T HA -0.154 4.196 4.350 -0.001 0.000 0.270 348 T C 1.194 175.888 174.700 -0.011 0.000 1.068 348 T CA 1.297 63.388 62.100 -0.016 0.000 1.131 348 T CB -0.291 68.569 68.868 -0.014 0.000 0.871 348 T HN 0.278 nan 8.240 nan 0.000 0.479 349 D N 0.758 121.153 120.400 -0.008 0.000 2.363 349 D HA 0.091 4.731 4.640 -0.001 0.000 0.226 349 D C 0.242 176.541 176.300 -0.002 0.000 1.020 349 D CA 0.343 54.342 54.000 -0.001 0.000 0.892 349 D CB -0.131 40.674 40.800 0.008 0.000 0.900 349 D HN 0.364 nan 8.370 nan 0.000 0.531 350 L N 1.348 122.566 121.223 -0.008 0.000 2.407 350 L HA 0.320 4.660 4.340 -0.001 0.000 0.261 350 L C 0.199 177.063 176.870 -0.010 0.000 1.108 350 L CA -0.492 54.343 54.840 -0.008 0.000 0.995 350 L CB 0.466 42.517 42.059 -0.013 0.000 1.349 350 L HN -0.348 nan 8.230 nan 0.000 0.423 351 R N 1.378 121.874 120.500 -0.008 0.000 3.400 351 R HA -0.034 4.306 4.340 -0.001 0.000 0.194 351 R C 0.859 177.153 176.300 -0.010 0.000 1.676 351 R CA 0.011 56.105 56.100 -0.009 0.000 1.105 351 R CB -1.046 29.249 30.300 -0.008 0.000 1.241 351 R HN 0.547 nan 8.270 nan 0.000 0.643 362 D N 1.586 122.292 120.400 0.511 0.000 2.317 362 D HA 0.409 5.048 4.640 -0.001 0.000 0.252 362 D C 1.234 177.813 176.300 0.464 0.000 1.174 362 D CA 0.571 54.746 54.000 0.292 0.000 0.866 362 D CB 2.027 42.937 40.800 0.183 0.000 1.127 362 D HN 0.469 nan 8.370 nan 0.000 0.467 363 A N 4.000 126.962 122.820 0.235 0.000 2.019 363 A HA -0.080 4.240 4.320 -0.001 0.000 0.219 363 A C 2.027 179.758 177.584 0.246 0.000 1.164 363 A CA 1.763 54.010 52.037 0.350 0.000 0.644 363 A CB -0.344 18.731 19.000 0.126 0.000 0.805 363 A HN 0.649 nan 8.150 nan 0.000 0.449 364 A N -0.784 122.112 122.820 0.126 0.000 2.015 364 A HA 0.109 4.428 4.320 -0.001 0.000 0.219 364 A C 2.049 179.618 177.584 -0.026 0.000 1.163 364 A CA 1.630 53.693 52.037 0.043 0.000 0.646 364 A CB -0.449 18.561 19.000 0.015 0.000 0.806 364 A HN 0.383 nan 8.150 nan 0.000 0.448 365 V N -2.310 117.567 119.914 -0.061 0.000 2.878 365 V HA -0.034 4.086 4.120 -0.001 0.000 0.250 365 V C 0.413 176.121 176.094 -0.642 0.000 1.075 365 V CA 0.798 62.882 62.300 -0.360 0.000 1.096 365 V CB -0.651 30.870 31.823 -0.503 0.000 0.724 365 V HN 0.611 nan 8.190 nan 0.000 0.467 366 Y N -0.615 119.583 120.300 -0.171 0.000 2.638 366 Y HA 0.375 4.925 4.550 -0.001 0.000 0.367 366 Y C -1.809 173.978 175.900 -0.189 0.000 1.001 366 Y CA -2.347 55.469 58.100 -0.473 0.000 1.133 366 Y CB 0.384 38.133 38.460 -1.186 0.000 1.199 366 Y HN 0.180 nan 8.280 nan 0.000 0.642 367 P HA -0.250 nan 4.420 nan 0.000 0.216 367 P C 1.608 178.969 177.300 0.102 0.000 1.157 367 P CA 1.668 64.814 63.100 0.076 0.000 0.880 367 P CB 0.404 32.117 31.700 0.021 0.000 0.791 368 R N -1.253 119.273 120.500 0.044 0.000 2.096 368 R HA -0.168 4.171 4.340 -0.001 0.000 0.240 368 R C 2.112 178.547 176.300 0.223 0.000 1.139 368 R CA 1.496 57.662 56.100 0.110 0.000 0.952 368 R CB -1.653 28.710 30.300 0.106 0.000 0.854 368 R HN 0.373 nan 8.270 nan 0.000 0.436 369 W N 1.547 122.763 121.300 -0.141 0.000 2.388 369 W HA -0.017 4.643 4.660 -0.001 0.000 0.294 369 W C 2.285 178.809 176.519 0.007 0.000 1.212 369 W CA 0.181 57.315 57.345 -0.352 0.000 1.271 369 W CB -1.113 27.632 29.460 -1.192 0.000 1.126 369 W HN 0.331 nan 8.180 nan 0.000 0.535 370 Q N 0.801 120.905 119.800 0.506 0.000 2.050 370 Q HA -0.219 4.120 4.340 -0.001 0.000 0.202 370 Q C 1.835 178.030 176.000 0.325 0.000 0.980 370 Q CA 2.190 58.357 55.803 0.607 0.000 0.840 370 Q CB -0.133 28.876 28.738 0.452 0.000 0.898 370 Q HN 0.338 nan 8.270 nan 0.000 0.424 371 E N 0.388 120.724 120.200 0.227 0.000 2.023 371 E HA -0.219 4.131 4.350 -0.001 0.000 0.196 371 E C 2.024 178.706 176.600 0.136 0.000 1.003 371 E CA 1.106 57.596 56.400 0.151 0.000 0.809 371 E CB -0.299 29.470 29.700 0.115 0.000 0.755 371 E HN 0.488 nan 8.360 nan 0.000 0.449 372 A N 1.500 124.399 122.820 0.132 0.000 1.948 372 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 372 A C 2.375 180.014 177.584 0.093 0.000 1.177 372 A CA 1.999 54.088 52.037 0.088 0.000 0.636 372 A CB -0.749 18.283 19.000 0.053 0.000 0.815 372 A HN 0.317 nan 8.150 nan 0.000 0.449 373 A N -0.680 122.233 122.820 0.156 0.000 2.119 373 A HA 0.313 4.632 4.320 -0.001 0.000 0.217 373 A C 2.352 180.014 177.584 0.130 0.000 1.153 373 A CA 1.548 53.684 52.037 0.165 0.000 0.692 373 A CB -0.731 18.445 19.000 0.293 0.000 0.799 373 A HN 1.004 nan 8.150 nan 0.000 0.458 374 A N -0.316 122.579 122.820 0.125 0.000 1.902 374 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 374 A C 1.341 178.971 177.584 0.076 0.000 1.181 374 A CA 1.473 53.567 52.037 0.095 0.000 0.623 374 A CB -0.263 18.791 19.000 0.090 0.000 0.818 374 A HN 0.380 nan 8.150 nan 0.000 0.443 375 D N -0.478 119.963 120.400 0.069 0.000 2.563 375 D HA 0.136 4.776 4.640 -0.001 0.000 0.222 375 D C 1.290 177.626 176.300 0.060 0.000 1.145 375 D CA -0.230 53.805 54.000 0.059 0.000 1.001 375 D CB 0.017 40.844 40.800 0.046 0.000 1.049 375 D HN 0.375 nan 8.370 nan 0.000 0.515 376 R N 2.218 122.766 120.500 0.080 0.000 2.159 376 R HA -0.287 4.053 4.340 -0.001 0.000 0.249 376 R C 1.663 178.019 176.300 0.093 0.000 1.136 376 R CA 2.239 58.400 56.100 0.101 0.000 0.951 376 R CB -0.000 30.379 30.300 0.133 0.000 0.876 376 R HN 0.378 nan 8.270 nan 0.000 0.440 377 A N 0.040 122.941 122.820 0.134 0.000 1.929 377 A HA 0.045 4.365 4.320 -0.001 0.000 0.216 377 A C 2.310 179.860 177.584 -0.057 0.000 1.176 377 A CA 1.294 53.368 52.037 0.063 0.000 0.628 377 A CB -0.597 18.524 19.000 0.202 0.000 0.816 377 A HN 0.573 nan 8.150 nan 0.000 0.444 378 A N 0.031 122.846 122.820 -0.008 0.000 1.851 378 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 378 A C 2.115 179.671 177.584 -0.047 0.000 1.195 378 A CA 1.684 53.709 52.037 -0.020 0.000 0.622 378 A CB -0.773 18.228 19.000 0.003 0.000 0.831 378 A HN 0.491 nan 8.150 nan 0.000 0.444 379 L N 0.261 121.460 121.223 -0.040 0.000 2.129 379 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 379 L C 2.529 179.346 176.870 -0.088 0.000 1.087 379 L CA 2.649 57.456 54.840 -0.055 0.000 0.757 379 L CB -1.019 41.018 42.059 -0.037 0.000 0.896 379 L HN 0.493 nan 8.230 nan 0.000 0.434 380 S N -0.858 114.763 115.700 -0.132 0.000 2.428 380 S HA -0.034 4.435 4.470 -0.001 0.000 0.230 380 S C 2.009 176.506 174.600 -0.171 0.000 1.014 380 S CA 0.965 59.049 58.200 -0.194 0.000 0.957 380 S CB 0.017 62.975 63.200 -0.403 0.000 0.784 380 S HN 0.575 nan 8.310 nan 0.000 0.499 381 A N 0.576 123.309 122.820 -0.145 0.000 1.975 381 A HA 0.525 4.844 4.320 -0.001 0.000 0.215 381 A C 2.194 179.738 177.584 -0.067 0.000 1.170 381 A CA 1.125 53.103 52.037 -0.098 0.000 0.656 381 A CB -0.795 18.161 19.000 -0.074 0.000 0.821 381 A HN 0.673 nan 8.150 nan 0.000 0.449 382 A N -0.518 122.263 122.820 -0.064 0.000 2.218 382 A HA 0.180 4.499 4.320 -0.001 0.000 0.209 382 A C 1.847 179.397 177.584 -0.056 0.000 1.168 382 A CA 1.739 53.745 52.037 -0.051 0.000 0.804 382 A CB -0.516 18.457 19.000 -0.045 0.000 0.834 382 A HN 0.696 nan 8.150 nan 0.000 0.482 383 T N -5.812 108.702 114.554 -0.067 0.000 3.043 383 T HA 0.425 4.775 4.350 -0.001 0.000 0.272 383 T C 1.085 175.750 174.700 -0.058 0.000 0.990 383 T CA 0.956 63.016 62.100 -0.066 0.000 0.897 383 T CB 0.088 68.908 68.868 -0.081 0.000 1.111 383 T HN 1.606 nan 8.240 nan 0.000 0.529 384 G N 0.853 109.617 108.800 -0.059 0.000 2.246 384 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.273 384 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.273 384 G C 0.802 175.672 174.900 -0.050 0.000 1.055 384 G CA -0.106 44.965 45.100 -0.049 0.000 0.851 384 G HN 1.022 nan 8.290 nan 0.000 0.500 385 G N -0.501 108.256 108.800 -0.073 0.000 3.124 385 G HA2 0.531 4.490 3.960 -0.001 0.000 0.212 385 G HA3 0.531 4.490 3.960 -0.001 0.000 0.212 385 G C 1.657 176.535 174.900 -0.037 0.000 1.181 385 G CA 1.357 46.421 45.100 -0.061 0.000 0.803 385 G HN 1.988 nan 8.290 nan 0.000 0.529 386 G N 0.204 108.985 108.800 -0.032 0.000 2.611 386 G HA2 0.024 3.984 3.960 -0.001 0.000 0.301 386 G HA3 0.024 3.984 3.960 -0.001 0.000 0.301 386 G C 0.966 175.922 174.900 0.093 0.000 1.233 386 G CA 0.605 45.718 45.100 0.021 0.000 0.993 386 G HN 1.368 nan 8.290 nan 0.000 0.553 387 A N -1.092 121.830 122.820 0.169 0.000 2.827 387 A HA 0.672 4.991 4.320 -0.001 0.000 0.300 387 A C 1.623 179.355 177.584 0.247 0.000 1.237 387 A CA 1.088 53.303 52.037 0.296 0.000 0.964 387 A CB 0.424 19.547 19.000 0.203 0.000 1.143 387 A HN 1.260 nan 8.150 nan 0.000 0.554 388 V N 0.609 120.673 119.914 0.251 0.000 2.788 388 V HA -0.126 3.993 4.120 -0.001 0.000 0.251 388 V C 2.373 178.570 176.094 0.172 0.000 1.068 388 V CA 1.763 64.149 62.300 0.144 0.000 1.090 388 V CB -0.865 31.003 31.823 0.075 0.000 0.710 388 V HN 0.934 nan 8.190 nan 0.000 0.467 389 H N 0.134 119.213 119.070 0.016 0.000 2.568 389 H HA -0.052 4.504 4.556 -0.001 0.000 0.281 389 H C 1.650 176.995 175.328 0.027 0.000 1.028 389 H CA 1.102 57.161 56.048 0.019 0.000 1.199 389 H CB -0.380 29.393 29.762 0.019 0.000 1.352 389 H HN 0.518 nan 8.280 nan 0.000 0.605 390 E N 0.605 120.635 120.200 -0.283 0.000 2.112 390 E HA 0.065 4.414 4.350 -0.001 0.000 0.190 390 E C 2.410 178.965 176.600 -0.075 0.000 0.979 390 E CA 0.684 56.936 56.400 -0.246 0.000 0.814 390 E CB 0.087 29.690 29.700 -0.162 0.000 0.762 390 E HN 0.554 nan 8.360 nan 0.000 0.460 391 A N 1.576 124.381 122.820 -0.026 0.000 1.940 391 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 391 A C 2.375 179.958 177.584 -0.001 0.000 1.176 391 A CA 1.719 53.754 52.037 -0.004 0.000 0.631 391 A CB -0.583 18.418 19.000 0.002 0.000 0.814 391 A HN 0.293 nan 8.150 nan 0.000 0.446 392 A N -0.182 122.641 122.820 0.005 0.000 1.902 392 A HA 0.174 4.493 4.320 -0.001 0.000 0.217 392 A C 2.453 180.040 177.584 0.005 0.000 1.181 392 A CA 1.969 54.013 52.037 0.013 0.000 0.623 392 A CB -0.950 18.069 19.000 0.032 0.000 0.818 392 A HN 1.108 nan 8.150 nan 0.000 0.443 393 A N -0.408 122.406 122.820 -0.011 0.000 2.067 393 A HA 0.253 4.573 4.320 -0.001 0.000 0.219 393 A C 2.328 179.910 177.584 -0.003 0.000 1.158 393 A CA 1.658 53.688 52.037 -0.012 0.000 0.661 393 A CB -0.703 18.274 19.000 -0.039 0.000 0.801 393 A HN 0.973 nan 8.150 nan 0.000 0.452 394 A N -0.317 122.503 122.820 0.001 0.000 1.968 394 A HA 0.295 4.615 4.320 -0.001 0.000 0.217 394 A C 2.160 179.752 177.584 0.013 0.000 1.169 394 A CA 1.462 53.507 52.037 0.014 0.000 0.638 394 A CB -0.579 18.434 19.000 0.022 0.000 0.812 394 A HN 1.015 nan 8.150 nan 0.000 0.446 395 A N -0.864 121.961 122.820 0.008 0.000 2.278 395 A HA 0.542 4.862 4.320 -0.001 0.000 0.212 395 A C 1.856 179.445 177.584 0.008 0.000 1.213 395 A CA 0.928 52.969 52.037 0.007 0.000 0.840 395 A CB -0.518 18.484 19.000 0.004 0.000 0.866 395 A HN 0.803 nan 8.150 nan 0.000 0.489 396 A N -0.041 122.784 122.820 0.009 0.000 2.132 396 A HA 0.100 4.420 4.320 -0.001 0.000 0.213 396 A C 1.667 179.257 177.584 0.009 0.000 1.154 396 A CA 0.159 52.201 52.037 0.009 0.000 0.753 396 A CB -0.119 18.886 19.000 0.009 0.000 0.826 396 A HN 0.440 nan 8.150 nan 0.000 0.469 397 R N 0.589 121.095 120.500 0.010 0.000 2.721 397 R HA 0.112 4.451 4.340 -0.001 0.000 0.296 397 R C -0.399 175.907 176.300 0.011 0.000 1.174 397 R CA -0.353 55.754 56.100 0.011 0.000 1.129 397 R CB -0.114 30.195 30.300 0.014 0.000 1.316 397 R HN 0.399 nan 8.270 nan 0.000 0.571 402 G N -0.757 108.050 108.800 0.012 0.000 2.543 402 G HA2 0.632 4.591 3.960 -0.001 0.000 0.267 402 G HA3 0.632 4.591 3.960 -0.001 0.000 0.267 402 G C -2.319 172.585 174.900 0.008 0.000 1.406 402 G CA -0.904 44.201 45.100 0.008 0.000 1.048 402 G HN 0.402 nan 8.290 nan 0.000 0.548 403 P HA 0.283 nan 4.420 nan 0.000 0.278 403 P C -0.083 177.218 177.300 0.002 0.000 1.238 403 P CA -0.250 62.851 63.100 0.002 0.000 0.794 403 P CB 1.315 33.014 31.700 -0.001 0.000 0.955 404 I N 3.330 123.900 120.570 -0.000 0.000 2.683 404 I HA -0.041 4.129 4.170 -0.001 0.000 0.286 404 I C 1.682 177.792 176.117 -0.011 0.000 1.175 404 I CA 0.621 61.919 61.300 -0.003 0.000 1.429 404 I CB 0.192 38.188 38.000 -0.007 0.000 1.371 404 I HN 0.406 nan 8.210 nan 0.000 0.569 405 R N 2.631 123.122 120.500 -0.014 0.000 2.517 405 R HA 0.223 4.563 4.340 -0.001 0.000 0.265 405 R C -0.494 175.786 176.300 -0.034 0.000 0.921 405 R CA 0.157 56.245 56.100 -0.020 0.000 1.054 405 R CB 0.930 31.223 30.300 -0.012 0.000 1.340 405 R HN 0.595 nan 8.270 nan 0.000 0.551 406 T N 0.394 114.920 114.554 -0.048 0.000 2.956 406 T HA 0.430 4.779 4.350 -0.001 0.000 0.312 406 T C -1.273 173.355 174.700 -0.120 0.000 1.151 406 T CA -0.512 61.539 62.100 -0.081 0.000 1.024 406 T CB 2.951 71.766 68.868 -0.088 0.000 1.140 406 T HN -0.259 nan 8.240 nan 0.000 0.473 407 V N 2.671 122.497 119.914 -0.146 0.000 2.577 407 V HA 0.524 4.644 4.120 -0.001 0.000 0.303 407 V C -0.539 175.409 176.094 -0.243 0.000 1.042 407 V CA -0.773 61.418 62.300 -0.181 0.000 0.872 407 V CB 2.038 33.790 31.823 -0.120 0.000 0.998 407 V HN 0.763 nan 8.190 nan 0.000 0.423 408 V N 6.009 125.701 119.914 -0.371 0.000 2.347 408 V HA 0.397 4.516 4.120 -0.001 0.000 0.280 408 V C -0.259 175.654 176.094 -0.302 0.000 1.021 408 V CA -0.513 61.551 62.300 -0.394 0.000 0.847 408 V CB 1.534 32.944 31.823 -0.688 0.000 0.990 408 V HN 0.638 nan 8.190 nan 0.000 0.444 409 L N 5.868 126.955 121.223 -0.228 0.000 2.270 409 L HA 0.411 4.751 4.340 -0.001 0.000 0.286 409 L C 0.296 177.026 176.870 -0.232 0.000 1.059 409 L CA 0.392 55.109 54.840 -0.205 0.000 0.839 409 L CB 0.428 42.402 42.059 -0.142 0.000 1.221 409 L HN 0.630 nan 8.230 nan 0.000 0.431 410 N N 5.212 123.695 118.700 -0.361 0.000 2.419 410 N HA 0.226 4.966 4.740 -0.001 0.000 0.264 410 N C -0.483 174.887 175.510 -0.232 0.000 1.031 410 N CA -0.219 52.599 53.050 -0.386 0.000 0.951 410 N CB 1.046 38.998 38.487 -0.892 0.000 1.101 410 N HN 0.629 nan 8.380 nan 0.000 0.488 411 L N 3.141 124.294 121.223 -0.117 0.000 3.154 411 L HA 0.331 4.670 4.340 -0.001 0.000 0.266 411 L C 1.463 178.328 176.870 -0.010 0.000 1.300 411 L CA -0.264 54.543 54.840 -0.055 0.000 1.028 411 L CB 0.392 42.422 42.059 -0.047 0.000 1.412 411 L HN 0.514 nan 8.230 nan 0.000 0.564 412 A N 0.062 122.893 122.820 0.019 0.000 1.930 412 A HA 0.010 4.330 4.320 -0.001 0.000 0.215 412 A C 2.157 179.777 177.584 0.060 0.000 1.176 412 A CA 0.752 52.819 52.037 0.051 0.000 0.632 412 A CB -0.009 19.044 19.000 0.088 0.000 0.819 412 A HN 0.303 nan 8.150 nan 0.000 0.445 413 R N -0.206 120.341 120.500 0.079 0.000 2.313 413 R HA 0.141 4.481 4.340 -0.001 0.000 0.199 413 R C -0.097 176.232 176.300 0.049 0.000 0.958 413 R CA 0.096 56.241 56.100 0.076 0.000 1.047 413 R CB -0.559 29.807 30.300 0.110 0.000 0.955 413 R HN 0.334 nan 8.270 nan 0.000 0.481 414 V N 2.250 122.183 119.914 0.032 0.000 2.530 414 V HA 0.009 4.129 4.120 -0.001 0.000 0.282 414 V C 1.134 177.239 176.094 0.019 0.000 1.048 414 V CA 0.115 62.427 62.300 0.019 0.000 0.997 414 V CB 1.536 33.361 31.823 0.004 0.000 0.987 414 V HN 0.108 nan 8.190 nan 0.000 0.477 415 D N 3.413 123.825 120.400 0.020 0.000 2.216 415 D HA 0.140 4.780 4.640 -0.001 0.000 0.208 415 D C 0.892 177.202 176.300 0.017 0.000 0.960 415 D CA 0.852 54.864 54.000 0.020 0.000 0.861 415 D CB 0.631 41.444 40.800 0.022 0.000 0.985 415 D HN 0.438 nan 8.370 nan 0.000 0.493 416 R N -0.531 119.978 120.500 0.015 0.000 2.690 416 R HA 0.519 4.858 4.340 -0.001 0.000 0.269 416 R C -1.478 174.828 176.300 0.011 0.000 1.037 416 R CA -0.518 55.590 56.100 0.014 0.000 0.877 416 R CB 2.103 32.413 30.300 0.018 0.000 1.255 416 R HN -0.137 nan 8.270 nan 0.000 0.467 417 I N 1.781 122.357 120.570 0.011 0.000 2.571 417 I HA 0.229 4.399 4.170 -0.001 0.000 0.289 417 I C -0.651 175.475 176.117 0.015 0.000 1.115 417 I CA -1.080 60.226 61.300 0.010 0.000 1.045 417 I CB 2.132 40.133 38.000 0.002 0.000 1.238 417 I HN 0.623 nan 8.210 nan 0.000 0.424 418 D N 3.709 124.122 120.400 0.021 0.000 2.411 418 D HA 0.110 4.749 4.640 -0.001 0.000 0.251 418 D C 0.462 176.776 176.300 0.022 0.000 1.201 418 D CA -0.406 53.609 54.000 0.024 0.000 0.996 418 D CB 0.912 41.731 40.800 0.032 0.000 1.101 418 D HN 0.423 nan 8.370 nan 0.000 0.504 419 D N -0.445 119.968 120.400 0.021 0.000 2.218 419 D HA -0.102 4.538 4.640 -0.001 0.000 0.204 419 D C 1.965 178.280 176.300 0.025 0.000 0.976 419 D CA 0.744 54.755 54.000 0.019 0.000 0.853 419 D CB 0.124 40.933 40.800 0.015 0.000 0.939 419 D HN 0.158 nan 8.370 nan 0.000 0.481 420 V N 1.140 121.077 119.914 0.038 0.000 2.453 420 V HA -0.106 4.014 4.120 -0.001 0.000 0.247 420 V C 2.581 178.710 176.094 0.059 0.000 1.048 420 V CA 1.877 64.213 62.300 0.059 0.000 1.049 420 V CB -0.622 31.256 31.823 0.092 0.000 0.672 420 V HN 0.228 nan 8.190 nan 0.000 0.457 421 G N -0.229 108.597 108.800 0.042 0.000 2.403 421 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.216 421 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.216 421 G C 1.730 176.632 174.900 0.004 0.000 1.154 421 G CA 0.314 45.424 45.100 0.017 0.000 0.784 421 G HN 0.410 nan 8.290 nan 0.000 0.538 422 R N 0.178 120.682 120.500 0.007 0.000 2.070 422 R HA -0.008 4.331 4.340 -0.001 0.000 0.233 422 R C 2.765 179.065 176.300 -0.000 0.000 1.137 422 R CA 1.241 57.341 56.100 -0.001 0.000 0.945 422 R CB -0.361 29.939 30.300 0.002 0.000 0.845 422 R HN 0.238 nan 8.270 nan 0.000 0.430 423 R N 0.684 121.189 120.500 0.008 0.000 2.091 423 R HA -0.115 4.225 4.340 -0.001 0.000 0.238 423 R C 2.425 178.730 176.300 0.008 0.000 1.136 423 R CA 1.339 57.445 56.100 0.009 0.000 0.959 423 R CB -0.462 29.849 30.300 0.018 0.000 0.856 423 R HN 0.211 nan 8.270 nan 0.000 0.437 424 L N 0.193 121.423 121.223 0.012 0.000 1.994 424 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 424 L C 2.360 179.220 176.870 -0.017 0.000 1.071 424 L CA 0.982 55.823 54.840 0.003 0.000 0.745 424 L CB -0.432 41.625 42.059 -0.003 0.000 0.892 424 L HN 0.165 nan 8.230 nan 0.000 0.431 425 I N 0.273 120.828 120.570 -0.025 0.000 2.179 425 I HA -0.252 3.918 4.170 -0.001 0.000 0.242 425 I C 2.904 179.004 176.117 -0.029 0.000 1.088 425 I CA 1.567 62.847 61.300 -0.034 0.000 1.357 425 I CB -1.566 36.412 38.000 -0.038 0.000 1.051 425 I HN 0.196 nan 8.210 nan 0.000 0.409 426 A N 0.826 123.633 122.820 -0.022 0.000 1.884 426 A HA -0.317 4.003 4.320 -0.001 0.000 0.219 426 A C 2.309 179.882 177.584 -0.019 0.000 1.197 426 A CA 2.490 54.515 52.037 -0.020 0.000 0.637 426 A CB -0.844 18.148 19.000 -0.013 0.000 0.827 426 A HN 0.455 nan 8.150 nan 0.000 0.450 427 E N -0.115 120.077 120.200 -0.014 0.000 2.085 427 E HA -0.063 4.286 4.350 -0.001 0.000 0.194 427 E C 1.975 178.565 176.600 -0.017 0.000 0.994 427 E CA 1.798 58.191 56.400 -0.012 0.000 0.801 427 E CB -0.912 28.786 29.700 -0.004 0.000 0.743 427 E HN 0.421 nan 8.360 nan 0.000 0.453 428 G N 0.119 108.906 108.800 -0.023 0.000 2.446 428 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 428 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 428 G C 1.759 176.640 174.900 -0.032 0.000 1.168 428 G CA 1.116 46.199 45.100 -0.029 0.000 0.771 428 G HN 0.267 nan 8.290 nan 0.000 0.551 429 V N 0.859 120.752 119.914 -0.035 0.000 2.295 429 V HA -0.168 3.951 4.120 -0.001 0.000 0.246 429 V C 2.824 178.898 176.094 -0.032 0.000 1.049 429 V CA 2.127 64.404 62.300 -0.039 0.000 1.024 429 V CB -0.466 31.333 31.823 -0.041 0.000 0.648 429 V HN 0.420 nan 8.190 nan 0.000 0.447 430 R N 0.163 120.647 120.500 -0.026 0.000 2.105 430 R HA -0.174 4.166 4.340 -0.001 0.000 0.239 430 R C 2.384 178.672 176.300 -0.020 0.000 1.135 430 R CA 1.659 57.746 56.100 -0.021 0.000 0.967 430 R CB -0.177 30.113 30.300 -0.016 0.000 0.861 430 R HN 0.454 nan 8.270 nan 0.000 0.442 431 R N -0.014 120.474 120.500 -0.020 0.000 2.193 431 R HA 0.013 4.352 4.340 -0.001 0.000 0.213 431 R C 2.297 178.585 176.300 -0.021 0.000 1.055 431 R CA 0.572 56.661 56.100 -0.018 0.000 0.995 431 R CB -0.044 30.247 30.300 -0.016 0.000 0.893 431 R HN 0.285 nan 8.270 nan 0.000 0.459 432 L N 0.670 121.878 121.223 -0.026 0.000 2.068 432 L HA -0.161 4.179 4.340 -0.001 0.000 0.204 432 L C 2.352 179.205 176.870 -0.028 0.000 1.076 432 L CA 1.350 56.172 54.840 -0.029 0.000 0.753 432 L CB -0.283 41.753 42.059 -0.038 0.000 0.910 432 L HN 0.201 nan 8.230 nan 0.000 0.439 433 Q N -0.169 119.613 119.800 -0.029 0.000 2.112 433 Q HA -0.249 4.091 4.340 -0.001 0.000 0.206 433 Q C 2.245 178.233 176.000 -0.021 0.000 0.987 433 Q CA 1.715 57.502 55.803 -0.027 0.000 0.858 433 Q CB -0.412 28.311 28.738 -0.026 0.000 0.905 433 Q HN 0.553 nan 8.270 nan 0.000 0.420 434 A N 1.279 124.087 122.820 -0.019 0.000 2.084 434 A HA -0.205 4.115 4.320 -0.001 0.000 0.221 434 A C 1.356 178.931 177.584 -0.015 0.000 1.161 434 A CA 1.525 53.553 52.037 -0.015 0.000 0.653 434 A CB -0.187 18.805 19.000 -0.013 0.000 0.802 434 A HN 0.243 nan 8.150 nan 0.000 0.457 435 D N -0.912 119.478 120.400 -0.017 0.000 2.358 435 D HA 0.276 4.916 4.640 -0.001 0.000 0.224 435 D C 0.955 177.245 176.300 -0.016 0.000 1.123 435 D CA 0.853 54.843 54.000 -0.016 0.000 0.833 435 D CB -0.105 40.685 40.800 -0.017 0.000 0.946 435 D HN 0.536 nan 8.370 nan 0.000 0.505 436 G N 0.974 109.763 108.800 -0.017 0.000 2.324 436 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.292 436 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.292 436 G C -0.063 174.825 174.900 -0.020 0.000 1.079 436 G CA -0.005 45.085 45.100 -0.017 0.000 1.026 436 G HN 0.223 nan 8.290 nan 0.000 0.506 437 V N 0.596 120.495 119.914 -0.025 0.000 2.623 437 V HA 0.521 4.641 4.120 -0.001 0.000 0.304 437 V C 0.724 176.795 176.094 -0.038 0.000 1.054 437 V CA -1.150 61.131 62.300 -0.031 0.000 0.882 437 V CB 1.851 33.654 31.823 -0.034 0.000 1.002 437 V HN 0.627 nan 8.190 nan 0.000 0.424 438 R N 2.637 123.111 120.500 -0.043 0.000 2.594 438 R HA 0.591 4.930 4.340 -0.001 0.000 0.272 438 R C -1.298 174.962 176.300 -0.067 0.000 1.074 438 R CA -0.096 55.974 56.100 -0.051 0.000 1.105 438 R CB 1.165 31.434 30.300 -0.051 0.000 1.008 438 R HN 0.512 nan 8.270 nan 0.000 0.472 439 V N 3.934 123.807 119.914 -0.069 0.000 2.462 439 V HA 0.159 4.279 4.120 -0.001 0.000 0.288 439 V C -0.882 175.158 176.094 -0.090 0.000 1.020 439 V CA -0.578 61.672 62.300 -0.084 0.000 0.857 439 V CB 1.450 33.231 31.823 -0.069 0.000 1.013 439 V HN 0.804 nan 8.190 nan 0.000 0.431 440 E N 3.626 123.754 120.200 -0.121 0.000 2.081 440 E HA 0.507 4.857 4.350 -0.001 0.000 0.276 440 E C -0.969 175.555 176.600 -0.127 0.000 0.950 440 E CA -0.360 55.969 56.400 -0.118 0.000 0.776 440 E CB 1.582 31.197 29.700 -0.141 0.000 1.094 440 E HN 0.489 nan 8.360 nan 0.000 0.402 441 V N 5.350 125.207 119.914 -0.095 0.000 2.348 441 V HA 0.114 4.233 4.120 -0.001 0.000 0.270 441 V C 0.021 176.067 176.094 -0.080 0.000 1.037 441 V CA -0.346 61.898 62.300 -0.092 0.000 0.872 441 V CB 1.184 32.965 31.823 -0.070 0.000 1.002 441 V HN 0.716 nan 8.190 nan 0.000 0.464 442 E N 3.382 123.525 120.200 -0.095 0.000 1.964 442 E HA 0.148 4.498 4.350 -0.001 0.000 0.264 442 E C -0.667 175.901 176.600 -0.055 0.000 1.120 442 E CA -0.144 56.215 56.400 -0.067 0.000 1.061 442 E CB 0.423 30.080 29.700 -0.072 0.000 1.190 442 E HN 0.675 nan 8.360 nan 0.000 0.459 443 D N 3.014 123.391 120.400 -0.039 0.000 2.505 443 D HA 0.105 4.744 4.640 -0.001 0.000 0.242 443 D C -1.054 175.238 176.300 -0.013 0.000 1.136 443 D CA -2.191 51.792 54.000 -0.028 0.000 0.954 443 D CB 0.852 41.635 40.800 -0.029 0.000 1.002 443 D HN 0.129 nan 8.370 nan 0.000 0.512 444 P HA -0.189 nan 4.420 nan 0.000 0.217 444 P C 0.228 177.530 177.300 0.004 0.000 1.148 444 P CA 1.331 64.434 63.100 0.004 0.000 0.834 444 P CB 0.724 32.432 31.700 0.014 0.000 0.783 445 E N -1.370 118.831 120.200 0.002 0.000 3.376 445 E HA 0.226 4.575 4.350 -0.001 0.000 0.294 445 E C 2.117 178.717 176.600 -0.000 0.000 0.882 445 E CA -0.605 55.797 56.400 0.003 0.000 1.130 445 E CB 0.316 30.019 29.700 0.006 0.000 2.830 445 E HN -0.104 nan 8.360 nan 0.000 0.562 446 R N 0.643 121.143 120.500 0.000 0.000 2.191 446 R HA 0.305 4.644 4.340 -0.001 0.000 0.187 446 R C 1.242 177.540 176.300 -0.003 0.000 1.078 446 R CA -0.363 55.737 56.100 -0.001 0.000 1.139 446 R CB -0.524 29.776 30.300 0.001 0.000 1.120 446 R HN 0.334 nan 8.270 nan 0.000 0.536 447 I N 3.614 124.183 120.570 -0.002 0.000 3.415 447 I HA -0.321 3.848 4.170 -0.001 0.000 0.361 447 I C -0.110 176.001 176.117 -0.009 0.000 1.155 447 I CA 1.024 62.321 61.300 -0.004 0.000 1.595 447 I CB 0.101 38.099 38.000 -0.003 0.000 1.239 447 I HN 0.255 nan 8.210 nan 0.000 0.463 448 L N 0.000 121.218 121.223 -0.009 0.000 2.949 448 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 448 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 448 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 448 L HN 0.000 nan 8.230 nan 0.000 0.502