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 1t88_1_B DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.495 175.510 -0.024 0.000 1.280 10 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 10 N CB 0.000 38.475 38.487 -0.020 0.000 1.341 11 L N 1.067 122.277 121.223 -0.021 0.000 2.325 11 L HA 0.667 5.006 4.340 -0.001 0.000 0.281 11 L C 0.866 177.740 176.870 0.007 0.000 1.004 11 L CA -0.704 54.124 54.840 -0.019 0.000 0.823 11 L CB 1.179 43.221 42.059 -0.028 0.000 1.236 11 L HN 0.260 nan 8.230 nan 0.000 0.415 12 A N 6.780 129.615 122.820 0.026 0.000 2.445 12 A HA 0.532 4.852 4.320 -0.001 0.000 0.242 12 A C -1.993 175.630 177.584 0.066 0.000 1.075 12 A CA -0.797 51.273 52.037 0.055 0.000 0.777 12 A CB -0.488 18.564 19.000 0.087 0.000 1.013 12 A HN 0.547 nan 8.150 nan 0.000 0.493 13 P HA 0.072 nan 4.420 nan 0.000 0.267 13 P C -0.367 176.942 177.300 0.016 0.000 1.205 13 P CA -0.232 62.883 63.100 0.025 0.000 0.765 13 P CB 0.416 32.125 31.700 0.015 0.000 0.828 14 L N 7.288 128.494 121.223 -0.029 0.000 2.615 14 L HA 0.119 4.459 4.340 -0.001 0.000 0.271 14 L C -2.042 174.697 176.870 -0.218 0.000 1.183 14 L CA -1.085 53.666 54.840 -0.148 0.000 0.933 14 L CB -1.033 40.931 42.059 -0.158 0.000 1.199 14 L HN 0.307 nan 8.230 nan 0.000 0.487 15 P HA 0.107 nan 4.420 nan 0.000 0.266 15 P C -2.078 175.099 177.300 -0.206 0.000 1.195 15 P CA -0.856 62.090 63.100 -0.256 0.000 0.768 15 P CB 0.191 31.661 31.700 -0.383 0.000 0.838 16 P HA -0.230 nan 4.420 nan 0.000 0.216 16 P C 1.183 178.499 177.300 0.027 0.000 1.154 16 P CA 1.576 64.678 63.100 0.004 0.000 0.865 16 P CB -0.384 31.341 31.700 0.041 0.000 0.789 17 H N -2.053 116.959 119.070 -0.097 0.000 2.551 17 H HA 0.106 4.661 4.556 -0.001 0.000 0.266 17 H C 0.037 175.339 175.328 -0.044 0.000 0.977 17 H CA 0.259 56.282 56.048 -0.042 0.000 1.163 17 H CB -0.976 28.791 29.762 0.010 0.000 1.381 17 H HN -0.053 nan 8.280 nan 0.000 0.581 18 V N 5.934 125.507 119.914 -0.569 0.000 2.368 18 V HA 0.184 4.303 4.120 -0.001 0.000 0.266 18 V C -1.902 174.024 176.094 -0.280 0.000 1.045 18 V CA -1.553 60.406 62.300 -0.569 0.000 0.899 18 V CB 1.382 32.497 31.823 -1.181 0.000 1.006 18 V HN 0.260 nan 8.190 nan 0.000 0.470 19 P HA 0.093 nan 4.420 nan 0.000 0.271 19 P C 0.716 177.978 177.300 -0.063 0.000 1.216 19 P CA -0.145 62.948 63.100 -0.012 0.000 0.771 19 P CB 0.995 32.758 31.700 0.104 0.000 0.864 20 E N 3.762 123.974 120.200 0.021 0.000 2.209 20 E HA -0.245 4.105 4.350 -0.001 0.000 0.196 20 E C 1.292 177.930 176.600 0.063 0.000 0.993 20 E CA 1.630 58.042 56.400 0.020 0.000 0.819 20 E CB -1.208 28.515 29.700 0.038 0.000 0.745 20 E HN 0.682 nan 8.360 nan 0.000 0.477 21 H N 0.370 119.460 119.070 0.033 0.000 2.556 21 H HA 0.159 4.715 4.556 -0.001 0.000 0.268 21 H C 1.382 176.762 175.328 0.087 0.000 0.996 21 H CA 0.261 56.340 56.048 0.052 0.000 1.157 21 H CB -0.272 29.514 29.762 0.041 0.000 1.355 21 H HN 0.180 nan 8.280 nan 0.000 0.597 22 L N 1.237 122.290 121.223 -0.283 0.000 2.769 22 L HA 0.233 4.572 4.340 -0.001 0.000 0.240 22 L C -0.050 176.862 176.870 0.070 0.000 1.163 22 L CA -0.272 54.499 54.840 -0.116 0.000 0.962 22 L CB 1.003 43.010 42.059 -0.086 0.000 1.258 22 L HN -0.036 nan 8.230 nan 0.000 0.513 23 V N 0.823 120.779 119.914 0.069 0.000 2.432 23 V HA 0.136 4.255 4.120 -0.001 0.000 0.271 23 V C -0.666 175.535 176.094 0.178 0.000 1.046 23 V CA 0.065 62.436 62.300 0.119 0.000 0.945 23 V CB 1.056 32.916 31.823 0.062 0.000 0.992 23 V HN 0.091 nan 8.190 nan 0.000 0.471 24 F N 3.696 123.644 119.950 -0.004 0.000 2.771 24 F HA 0.433 4.961 4.527 0.002 0.000 0.365 24 F C 0.187 175.964 175.800 -0.039 0.000 1.169 24 F CA -0.966 57.026 58.000 -0.015 0.000 1.093 24 F CB 1.193 40.183 39.000 -0.016 0.000 1.363 24 F HN 0.496 nan 8.300 nan 0.000 0.496 25 D N 5.818 126.060 120.400 -0.263 0.000 2.662 25 D HA -0.042 4.598 4.640 -0.001 0.000 0.228 25 D C -0.340 175.835 176.300 -0.208 0.000 1.090 25 D CA 0.630 54.499 54.000 -0.219 0.000 1.118 25 D CB -0.584 40.089 40.800 -0.211 0.000 1.129 25 D HN 0.231 nan 8.370 nan 0.000 0.472 26 F N 1.573 121.390 119.950 -0.222 0.000 2.404 26 F HA 0.192 4.720 4.527 0.001 0.000 0.345 26 F C 0.283 175.943 175.800 -0.234 0.000 1.110 26 F CA -0.986 56.898 58.000 -0.193 0.000 1.130 26 F CB 1.000 39.955 39.000 -0.075 0.000 1.129 26 F HN -0.143 nan 8.300 nan 0.000 0.500 27 D N 7.213 127.064 120.400 -0.915 0.000 2.454 27 D HA 0.109 4.749 4.640 -0.001 0.000 0.225 27 D C 0.985 176.751 176.300 -0.891 0.000 1.081 27 D CA -0.435 53.189 54.000 -0.628 0.000 0.864 27 D CB 0.874 41.445 40.800 -0.381 0.000 1.040 27 D HN 0.741 nan 8.370 nan 0.000 0.517 28 M N 1.880 121.116 119.600 -0.607 0.000 2.446 28 M HA -0.125 4.355 4.480 -0.001 0.000 0.263 28 M C 0.181 176.274 176.300 -0.345 0.000 1.066 28 M CA 1.297 56.292 55.300 -0.508 0.000 1.087 28 M CB -0.227 32.230 32.600 -0.237 0.000 1.406 28 M HN 0.186 nan 8.290 nan 0.000 0.459 29 Y N 0.413 120.650 120.300 -0.105 0.000 2.462 29 Y HA 0.275 4.825 4.550 0.000 0.000 0.261 29 Y C 0.291 176.159 175.900 -0.052 0.000 1.146 29 Y CA -0.134 57.951 58.100 -0.025 0.000 1.283 29 Y CB 0.371 38.817 38.460 -0.022 0.000 1.090 29 Y HN 0.486 nan 8.280 nan 0.000 0.526 30 N N 0.149 118.820 118.700 -0.048 0.000 2.926 30 N HA 0.108 4.848 4.740 -0.001 0.000 0.201 30 N C -3.280 172.090 175.510 -0.233 0.000 1.419 30 N CA -1.214 51.792 53.050 -0.074 0.000 0.838 30 N CB 0.730 39.198 38.487 -0.032 0.000 1.534 30 N HN -0.233 nan 8.380 nan 0.000 0.569 31 P HA 0.111 nan 4.420 nan 0.000 0.269 31 P C 0.556 177.741 177.300 -0.192 0.000 1.209 31 P CA -0.049 62.757 63.100 -0.489 0.000 0.776 31 P CB 1.304 32.735 31.700 -0.448 0.000 0.876 32 S N 2.407 118.007 115.700 -0.167 0.000 2.369 32 S HA -0.205 4.264 4.470 -0.001 0.000 0.225 32 S C 1.098 175.697 174.600 -0.003 0.000 1.043 32 S CA 1.954 60.114 58.200 -0.067 0.000 1.074 32 S CB -0.904 62.267 63.200 -0.047 0.000 0.962 32 S HN 0.621 nan 8.310 nan 0.000 0.433 33 N N 1.341 120.069 118.700 0.046 0.000 2.410 33 N HA 0.231 4.971 4.740 -0.001 0.000 0.231 33 N C 0.789 176.350 175.510 0.085 0.000 1.172 33 N CA -0.114 52.976 53.050 0.067 0.000 0.849 33 N CB 0.065 38.606 38.487 0.090 0.000 1.116 33 N HN 0.136 nan 8.380 nan 0.000 0.485 34 L N 0.691 121.958 121.223 0.075 0.000 2.042 34 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 34 L C 2.070 178.988 176.870 0.081 0.000 1.076 34 L CA 1.655 56.561 54.840 0.111 0.000 0.749 34 L CB -0.887 41.229 42.059 0.095 0.000 0.893 34 L HN 0.341 nan 8.230 nan 0.000 0.432 35 S N -1.029 114.698 115.700 0.044 0.000 2.465 35 S HA -0.092 4.377 4.470 -0.001 0.000 0.241 35 S C 1.835 176.433 174.600 -0.003 0.000 1.000 35 S CA 0.758 58.966 58.200 0.013 0.000 0.964 35 S CB -0.780 62.428 63.200 0.013 0.000 0.763 35 S HN 0.496 nan 8.310 nan 0.000 0.512 36 A N 0.836 123.672 122.820 0.025 0.000 2.238 36 A HA 0.617 4.936 4.320 -0.001 0.000 0.210 36 A C 1.101 178.705 177.584 0.033 0.000 1.179 36 A CA 0.245 52.299 52.037 0.028 0.000 0.827 36 A CB -0.471 18.559 19.000 0.050 0.000 0.856 36 A HN 1.537 nan 8.150 nan 0.000 0.488 37 G N -2.047 106.773 108.800 0.034 0.000 2.653 37 G HA2 0.138 4.098 3.960 -0.001 0.000 0.656 37 G HA3 0.138 4.098 3.960 -0.001 0.000 0.656 37 G C 0.339 175.423 174.900 0.308 0.000 1.419 37 G CA -0.167 44.996 45.100 0.107 0.000 0.862 37 G HN 0.777 nan 8.290 nan 0.000 0.639 38 V N 1.669 121.936 119.914 0.589 0.000 2.343 38 V HA -0.176 3.944 4.120 -0.001 0.000 0.247 38 V C 2.682 178.997 176.094 0.368 0.000 1.051 38 V CA 3.339 65.923 62.300 0.473 0.000 1.036 38 V CB -0.264 31.835 31.823 0.459 0.000 0.654 38 V HN 0.806 nan 8.190 nan 0.000 0.451 39 Q N -0.115 119.789 119.800 0.174 0.000 2.084 39 Q HA -0.201 4.139 4.340 -0.001 0.000 0.202 39 Q C 2.102 178.181 176.000 0.133 0.000 0.978 39 Q CA 2.131 57.959 55.803 0.041 0.000 0.844 39 Q CB -0.292 28.368 28.738 -0.129 0.000 0.898 39 Q HN 0.698 nan 8.270 nan 0.000 0.426 40 E N 0.161 120.447 120.200 0.143 0.000 2.077 40 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 40 E C 1.827 178.532 176.600 0.174 0.000 0.989 40 E CA 1.217 57.690 56.400 0.122 0.000 0.800 40 E CB -0.393 29.370 29.700 0.104 0.000 0.746 40 E HN 0.401 nan 8.360 nan 0.000 0.452 41 A N 0.014 122.984 122.820 0.249 0.000 1.908 41 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 41 A C 1.801 179.586 177.584 0.334 0.000 1.181 41 A CA 1.473 53.676 52.037 0.277 0.000 0.627 41 A CB -1.022 18.152 19.000 0.290 0.000 0.818 41 A HN 0.377 nan 8.150 nan 0.000 0.445 42 W N -0.448 120.951 121.300 0.165 0.000 2.436 42 W HA 0.143 4.802 4.660 -0.002 0.000 0.284 42 W C 2.672 179.101 176.519 -0.150 0.000 1.225 42 W CA 0.946 58.282 57.345 -0.017 0.000 1.271 42 W CB -0.358 29.080 29.460 -0.037 0.000 1.114 42 W HN 0.378 nan 8.180 nan 0.000 0.559 43 A N 0.481 123.387 122.820 0.145 0.000 2.024 43 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 43 A C 2.041 179.614 177.584 -0.018 0.000 1.164 43 A CA 2.131 54.187 52.037 0.031 0.000 0.643 43 A CB -1.337 17.680 19.000 0.028 0.000 0.806 43 A HN 0.297 nan 8.150 nan 0.000 0.451 44 V N -2.023 117.904 119.914 0.022 0.000 2.688 44 V HA -0.196 3.924 4.120 -0.001 0.000 0.256 44 V C 1.930 177.955 176.094 -0.115 0.000 1.084 44 V CA 1.991 64.308 62.300 0.028 0.000 1.103 44 V CB -0.966 30.954 31.823 0.162 0.000 0.688 44 V HN 0.476 nan 8.190 nan 0.000 0.480 45 L N -0.528 120.550 121.223 -0.242 0.000 2.552 45 L HA 0.046 4.386 4.340 -0.001 0.000 0.227 45 L C 2.425 179.096 176.870 -0.331 0.000 1.146 45 L CA 1.021 55.591 54.840 -0.449 0.000 0.858 45 L CB -0.356 41.406 42.059 -0.496 0.000 0.969 45 L HN 0.418 nan 8.230 nan 0.000 0.451 46 Q N -0.694 118.985 119.800 -0.202 0.000 2.194 46 Q HA 0.128 4.468 4.340 -0.001 0.000 0.214 46 Q C -0.040 175.891 176.000 -0.116 0.000 0.838 46 Q CA -0.197 55.517 55.803 -0.148 0.000 0.972 46 Q CB 0.752 29.428 28.738 -0.103 0.000 1.131 46 Q HN 0.448 nan 8.270 nan 0.000 0.498 47 E N 0.271 120.400 120.200 -0.118 0.000 2.409 47 E HA -0.019 4.331 4.350 -0.001 0.000 0.257 47 E C 0.741 177.297 176.600 -0.074 0.000 1.150 47 E CA -0.049 56.309 56.400 -0.071 0.000 0.942 47 E CB 0.821 30.498 29.700 -0.039 0.000 0.979 47 E HN -0.016 nan 8.360 nan 0.000 0.447 48 S N 1.914 117.588 115.700 -0.043 0.000 2.380 48 S HA -0.229 4.241 4.470 -0.001 0.000 0.229 48 S C 1.314 175.894 174.600 -0.035 0.000 1.043 48 S CA 2.199 60.378 58.200 -0.036 0.000 1.038 48 S CB -0.376 62.812 63.200 -0.019 0.000 0.872 48 S HN 0.604 nan 8.310 nan 0.000 0.456 49 N N 0.416 119.101 118.700 -0.024 0.000 2.501 49 N HA 0.066 4.805 4.740 -0.001 0.000 0.195 49 N C -0.384 175.106 175.510 -0.034 0.000 1.213 49 N CA 0.052 53.099 53.050 -0.005 0.000 0.864 49 N CB -0.014 38.492 38.487 0.032 0.000 0.999 49 N HN 0.217 nan 8.380 nan 0.000 0.454 50 V N 0.566 120.415 119.914 -0.108 0.000 2.459 50 V HA 0.433 4.553 4.120 -0.001 0.000 0.295 50 V C -2.119 173.887 176.094 -0.148 0.000 1.029 50 V CA -1.943 60.233 62.300 -0.208 0.000 0.874 50 V CB 1.582 33.142 31.823 -0.439 0.000 0.985 50 V HN 0.036 nan 8.190 nan 0.000 0.438 51 P HA 0.205 nan 4.420 nan 0.000 0.272 51 P C 0.152 177.398 177.300 -0.090 0.000 1.223 51 P CA -0.260 62.805 63.100 -0.058 0.000 0.784 51 P CB 0.657 32.354 31.700 -0.006 0.000 0.923 52 D N 0.096 120.449 120.400 -0.077 0.000 2.218 52 D HA -0.055 4.585 4.640 -0.001 0.000 0.204 52 D C 0.335 176.578 176.300 -0.094 0.000 0.976 52 D CA 1.439 55.375 54.000 -0.107 0.000 0.853 52 D CB -0.128 40.593 40.800 -0.131 0.000 0.939 52 D HN 0.066 nan 8.370 nan 0.000 0.481 53 L N 0.531 121.730 121.223 -0.040 0.000 2.491 53 L HA 0.339 4.679 4.340 -0.001 0.000 0.267 53 L C -0.820 176.156 176.870 0.177 0.000 0.971 53 L CA -1.018 53.849 54.840 0.046 0.000 0.857 53 L CB 1.670 43.731 42.059 0.003 0.000 1.226 53 L HN -0.149 nan 8.230 nan 0.000 0.408 54 V N 1.785 121.832 119.914 0.222 0.000 3.103 54 V HA 0.707 4.827 4.120 -0.001 0.000 0.318 54 V C -1.209 175.097 176.094 0.355 0.000 1.114 54 V CA -0.730 61.731 62.300 0.268 0.000 1.020 54 V CB 2.098 33.991 31.823 0.117 0.000 1.085 54 V HN 0.912 nan 8.190 nan 0.000 0.446 55 W N 1.873 123.145 121.300 -0.047 0.000 2.587 55 W HA 0.676 5.335 4.660 -0.001 0.000 0.324 55 W C -1.030 175.323 176.519 -0.277 0.000 1.040 55 W CA -0.258 56.848 57.345 -0.397 0.000 1.222 55 W CB 1.915 30.850 29.460 -0.874 0.000 1.381 55 W HN 0.867 nan 8.180 nan 0.000 0.483 56 T N 5.398 119.415 114.554 -0.896 0.000 2.823 56 T HA 0.388 4.737 4.350 -0.001 0.000 0.279 56 T C 0.853 175.094 174.700 -0.765 0.000 0.998 56 T CA -0.475 61.254 62.100 -0.618 0.000 0.994 56 T CB 1.108 69.641 68.868 -0.557 0.000 0.960 56 T HN 0.619 nan 8.240 nan 0.000 0.448 57 R N 2.082 122.420 120.500 -0.270 0.000 2.310 57 R HA 0.203 4.542 4.340 -0.001 0.000 0.202 57 R C 0.607 176.824 176.300 -0.138 0.000 0.933 57 R CA -0.195 55.850 56.100 -0.091 0.000 1.054 57 R CB -0.288 30.036 30.300 0.040 0.000 0.985 57 R HN 0.541 nan 8.270 nan 0.000 0.489 58 C N 1.455 120.627 119.300 -0.212 0.000 2.649 58 C HA 0.073 4.532 4.460 -0.001 0.000 0.377 58 C C 0.854 175.804 174.990 -0.066 0.000 1.321 58 C CA -0.464 58.474 59.018 -0.132 0.000 2.368 58 C CB -0.045 27.604 27.740 -0.152 0.000 2.597 58 C HN 0.655 nan 8.230 nan 0.000 0.678 59 N N 0.756 119.465 118.700 0.014 0.000 2.707 59 N HA -0.138 4.602 4.740 -0.001 0.000 0.253 59 N C 0.752 176.310 175.510 0.079 0.000 0.998 59 N CA 1.089 54.188 53.050 0.082 0.000 0.751 59 N CB -1.141 37.455 38.487 0.182 0.000 0.920 59 N HN 1.348 nan 8.380 nan 0.000 0.539 60 G N -2.047 106.777 108.800 0.040 0.000 2.199 60 G HA2 0.085 4.045 3.960 -0.001 0.000 0.254 60 G HA3 0.085 4.045 3.960 -0.001 0.000 0.254 60 G C 0.596 175.524 174.900 0.047 0.000 0.982 60 G CA 0.370 45.503 45.100 0.055 0.000 0.632 60 G HN 1.680 nan 8.290 nan 0.000 0.529 61 G N -0.755 107.994 108.800 -0.085 0.000 3.019 61 G HA2 0.540 4.500 3.960 -0.001 0.000 0.686 61 G HA3 0.540 4.500 3.960 -0.001 0.000 0.686 61 G C -0.483 173.948 174.900 -0.782 0.000 1.056 61 G CA 0.679 45.547 45.100 -0.386 0.000 0.774 61 G HN 2.953 nan 8.290 nan 0.000 0.583 62 H N -1.798 116.237 119.070 -1.724 0.000 3.005 62 H HA 0.576 5.131 4.556 -0.001 0.000 0.311 62 H C -0.647 173.968 175.328 -1.190 0.000 1.366 62 H CA -1.555 53.699 56.048 -1.323 0.000 1.210 62 H CB -0.111 29.364 29.762 -0.478 0.000 1.894 62 H HN 0.720 nan 8.280 nan 0.000 0.520 63 W N 1.269 122.423 121.300 -0.244 0.000 2.161 63 W HA 0.581 5.240 4.660 -0.000 0.000 0.344 63 W C -0.117 176.436 176.519 0.056 0.000 1.262 63 W CA -0.442 56.910 57.345 0.012 0.000 1.270 63 W CB 0.723 30.303 29.460 0.199 0.000 1.126 63 W HN 0.468 nan 8.180 nan 0.000 0.598 64 I N 2.669 123.422 120.570 0.305 0.000 2.529 64 I HA 0.286 4.455 4.170 -0.001 0.000 0.284 64 I C -0.354 175.818 176.117 0.091 0.000 1.088 64 I CA -1.032 60.363 61.300 0.158 0.000 1.062 64 I CB 1.191 39.229 38.000 0.064 0.000 1.218 64 I HN 0.447 nan 8.210 nan 0.000 0.442 65 A N 3.489 126.327 122.820 0.029 0.000 2.354 65 A HA 0.447 4.767 4.320 -0.001 0.000 0.281 65 A C 1.082 178.631 177.584 -0.058 0.000 1.174 65 A CA -0.055 51.963 52.037 -0.031 0.000 0.828 65 A CB 0.109 19.059 19.000 -0.083 0.000 1.099 65 A HN 0.837 nan 8.150 nan 0.000 0.516 66 T N 0.016 114.517 114.554 -0.089 0.000 3.060 66 T HA 0.210 4.560 4.350 -0.001 0.000 0.249 66 T C 0.646 175.282 174.700 -0.107 0.000 1.079 66 T CA 0.002 62.032 62.100 -0.116 0.000 1.013 66 T CB 0.050 68.815 68.868 -0.173 0.000 0.975 66 T HN 0.520 nan 8.240 nan 0.000 0.518 67 R N 0.230 120.666 120.500 -0.106 0.000 2.740 67 R HA 0.591 4.930 4.340 -0.001 0.000 0.282 67 R C 1.519 177.765 176.300 -0.090 0.000 0.969 67 R CA -0.359 55.682 56.100 -0.099 0.000 0.918 67 R CB 1.115 31.351 30.300 -0.107 0.000 1.175 67 R HN 0.208 nan 8.270 nan 0.000 0.464 68 G N 0.930 109.684 108.800 -0.077 0.000 2.469 68 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.220 68 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.220 68 G C 1.067 175.921 174.900 -0.077 0.000 1.136 68 G CA 0.796 45.851 45.100 -0.074 0.000 0.759 68 G HN 0.648 nan 8.290 nan 0.000 0.562 69 Q N -0.605 119.154 119.800 -0.068 0.000 2.061 69 Q HA -0.108 4.232 4.340 -0.001 0.000 0.204 69 Q C 2.447 178.424 176.000 -0.038 0.000 0.984 69 Q CA 1.220 56.998 55.803 -0.042 0.000 0.846 69 Q CB -0.163 28.559 28.738 -0.027 0.000 0.902 69 Q HN 0.403 nan 8.270 nan 0.000 0.421 70 L N 0.445 121.597 121.223 -0.120 0.000 2.109 70 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 70 L C 2.218 179.077 176.870 -0.018 0.000 1.086 70 L CA 0.904 55.674 54.840 -0.115 0.000 0.760 70 L CB -0.551 41.346 42.059 -0.270 0.000 0.910 70 L HN 0.323 nan 8.230 nan 0.000 0.437 71 I N -0.285 120.242 120.570 -0.072 0.000 2.127 71 I HA -0.286 3.884 4.170 -0.001 0.000 0.241 71 I C 2.620 178.737 176.117 -0.001 0.000 1.075 71 I CA 1.468 62.718 61.300 -0.084 0.000 1.334 71 I CB -1.105 36.886 38.000 -0.014 0.000 1.040 71 I HN 0.292 nan 8.210 nan 0.000 0.405 72 R N 0.536 121.022 120.500 -0.023 0.000 2.073 72 R HA -0.159 4.180 4.340 -0.001 0.000 0.234 72 R C 2.232 178.660 176.300 0.213 0.000 1.134 72 R CA 1.264 57.323 56.100 -0.068 0.000 0.952 72 R CB -0.295 29.792 30.300 -0.354 0.000 0.850 72 R HN 0.458 nan 8.270 nan 0.000 0.433 73 E N 0.415 120.727 120.200 0.186 0.000 2.058 73 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 73 E C 2.095 178.860 176.600 0.274 0.000 0.997 73 E CA 1.382 57.967 56.400 0.309 0.000 0.801 73 E CB -0.139 29.840 29.700 0.464 0.000 0.746 73 E HN 0.394 nan 8.360 nan 0.000 0.450 74 A N 0.445 123.278 122.820 0.021 0.000 1.902 74 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 74 A C 1.867 179.388 177.584 -0.103 0.000 1.181 74 A CA 1.271 53.049 52.037 -0.431 0.000 0.623 74 A CB -0.741 17.510 19.000 -1.247 0.000 0.818 74 A HN 0.269 nan 8.150 nan 0.000 0.443 75 Y N 0.322 120.674 120.300 0.088 0.000 2.352 75 Y HA -0.097 4.452 4.550 -0.002 0.000 0.292 75 Y C 2.352 178.412 175.900 0.267 0.000 1.136 75 Y CA 1.377 59.593 58.100 0.194 0.000 1.227 75 Y CB -0.302 38.305 38.460 0.244 0.000 0.991 75 Y HN 0.483 nan 8.280 nan 0.000 0.545 76 E N -0.774 119.678 120.200 0.420 0.000 2.158 76 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 76 E C 0.364 177.111 176.600 0.246 0.000 0.982 76 E CA 0.844 57.436 56.400 0.320 0.000 0.823 76 E CB 0.053 29.927 29.700 0.290 0.000 0.766 76 E HN 0.155 nan 8.360 nan 0.000 0.468 77 D N 0.161 120.706 120.400 0.241 0.000 2.563 77 D HA -0.018 4.622 4.640 -0.001 0.000 0.222 77 D C 0.292 176.650 176.300 0.097 0.000 1.145 77 D CA -0.416 53.641 54.000 0.095 0.000 1.001 77 D CB -0.120 40.806 40.800 0.209 0.000 1.049 77 D HN 0.168 nan 8.370 nan 0.000 0.515 78 Y N 0.815 121.197 120.300 0.136 0.000 2.571 78 Y HA 0.164 4.714 4.550 -0.001 0.000 0.294 78 Y C 1.790 177.687 175.900 -0.006 0.000 1.141 78 Y CA 0.148 58.317 58.100 0.115 0.000 1.308 78 Y CB -0.323 38.218 38.460 0.134 0.000 1.002 78 Y HN 0.085 nan 8.280 nan 0.000 0.551 79 R N -0.332 119.966 120.500 -0.337 0.000 2.090 79 R HA -0.084 4.256 4.340 -0.001 0.000 0.228 79 R C 1.652 177.678 176.300 -0.457 0.000 1.110 79 R CA 1.469 57.352 56.100 -0.362 0.000 0.973 79 R CB -0.280 29.693 30.300 -0.545 0.000 0.869 79 R HN 0.504 nan 8.270 nan 0.000 0.440 80 H N -1.321 117.483 119.070 -0.442 0.000 2.418 80 H HA 0.090 4.645 4.556 -0.001 0.000 0.300 80 H C -0.029 174.885 175.328 -0.690 0.000 1.041 80 H CA 0.629 56.231 56.048 -0.743 0.000 1.364 80 H CB 0.322 29.255 29.762 -1.382 0.000 1.439 80 H HN -0.027 nan 8.280 nan 0.000 0.540 81 F N 1.465 121.404 119.950 -0.019 0.000 2.291 81 F HA 0.272 4.799 4.527 -0.000 0.000 0.368 81 F C 0.707 176.536 175.800 0.048 0.000 1.085 81 F CA -0.562 57.428 58.000 -0.017 0.000 1.165 81 F CB 1.029 39.973 39.000 -0.094 0.000 1.429 81 F HN -0.171 nan 8.300 nan 0.000 0.503 82 S N 0.957 116.761 115.700 0.173 0.000 2.584 82 S HA 0.224 4.693 4.470 -0.001 0.000 0.273 82 S C 1.136 175.805 174.600 0.115 0.000 1.311 82 S CA -0.474 57.814 58.200 0.147 0.000 1.034 82 S CB 1.001 64.257 63.200 0.093 0.000 0.939 82 S HN 0.527 nan 8.310 nan 0.000 0.513 83 S N 2.684 118.437 115.700 0.088 0.000 2.593 83 S HA 0.029 4.499 4.470 -0.001 0.000 0.217 83 S C 1.581 176.169 174.600 -0.021 0.000 0.966 83 S CA 0.085 58.275 58.200 -0.017 0.000 0.914 83 S CB -0.208 62.898 63.200 -0.156 0.000 0.776 83 S HN 0.867 nan 8.310 nan 0.000 0.523 84 E N 0.393 120.609 120.200 0.027 0.000 2.097 84 E HA -0.209 4.141 4.350 -0.001 0.000 0.196 84 E C 0.398 176.996 176.600 -0.003 0.000 1.000 84 E CA 0.926 57.341 56.400 0.026 0.000 0.804 84 E CB 0.046 29.769 29.700 0.038 0.000 0.740 84 E HN 0.419 nan 8.360 nan 0.000 0.454 85 C N 1.946 121.236 119.300 -0.016 0.000 2.816 85 C HA 0.426 4.886 4.460 -0.001 0.000 0.255 85 C C -1.840 173.108 174.990 -0.069 0.000 1.141 85 C CA -1.615 57.377 59.018 -0.044 0.000 1.554 85 C CB 0.882 28.623 27.740 0.002 0.000 1.778 85 C HN 0.333 nan 8.230 nan 0.000 0.429 86 P HA 0.100 nan 4.420 nan 0.000 0.245 86 P C 0.170 177.520 177.300 0.084 0.000 1.203 86 P CA 0.540 63.565 63.100 -0.125 0.000 0.792 86 P CB 0.240 31.749 31.700 -0.318 0.000 0.997 87 F N -0.077 119.650 119.950 -0.373 0.000 2.507 87 F HA 0.488 5.015 4.527 -0.000 0.000 0.327 87 F C 0.816 176.487 175.800 -0.215 0.000 1.068 87 F CA -1.486 56.331 58.000 -0.305 0.000 0.965 87 F CB 1.939 40.694 39.000 -0.409 0.000 1.192 87 F HN -0.402 nan 8.300 nan 0.000 0.476 88 I N 3.950 124.498 120.570 -0.036 0.000 2.474 88 I HA 0.303 4.472 4.170 -0.001 0.000 0.294 88 I C -2.099 174.084 176.117 0.110 0.000 1.005 88 I CA -2.196 59.066 61.300 -0.062 0.000 1.113 88 I CB 2.265 40.086 38.000 -0.299 0.000 1.289 88 I HN 0.278 nan 8.210 nan 0.000 0.436 89 P HA 0.073 nan 4.420 nan 0.000 0.273 89 P C 0.338 177.653 177.300 0.025 0.000 1.250 89 P CA -0.325 62.812 63.100 0.062 0.000 0.793 89 P CB 0.939 32.678 31.700 0.065 0.000 1.011 90 R N 0.899 121.416 120.500 0.029 0.000 2.133 90 R HA -0.213 4.127 4.340 -0.001 0.000 0.247 90 R C 1.971 178.277 176.300 0.010 0.000 1.151 90 R CA 2.139 58.254 56.100 0.024 0.000 0.971 90 R CB -0.308 30.022 30.300 0.049 0.000 0.866 90 R HN 0.506 nan 8.270 nan 0.000 0.447 91 E N -0.283 119.931 120.200 0.023 0.000 2.085 91 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 91 E C 1.942 178.546 176.600 0.006 0.000 0.994 91 E CA 1.410 57.827 56.400 0.028 0.000 0.801 91 E CB -0.148 29.579 29.700 0.044 0.000 0.743 91 E HN 0.497 nan 8.360 nan 0.000 0.453 92 A N 1.149 123.947 122.820 -0.037 0.000 1.874 92 A HA 0.008 4.328 4.320 -0.001 0.000 0.214 92 A C 2.491 179.805 177.584 -0.451 0.000 1.189 92 A CA 1.341 53.224 52.037 -0.257 0.000 0.615 92 A CB -1.123 17.768 19.000 -0.181 0.000 0.830 92 A HN 0.341 nan 8.150 nan 0.000 0.443 93 G N -0.321 108.356 108.800 -0.206 0.000 2.442 93 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 93 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 93 G C 1.406 176.228 174.900 -0.130 0.000 1.141 93 G CA 1.079 46.072 45.100 -0.179 0.000 0.763 93 G HN 0.659 nan 8.290 nan 0.000 0.554 94 E N 0.213 120.370 120.200 -0.071 0.000 2.158 94 E HA 0.105 4.455 4.350 -0.001 0.000 0.191 94 E C 2.792 179.387 176.600 -0.008 0.000 0.982 94 E CA 0.546 56.934 56.400 -0.021 0.000 0.823 94 E CB -0.037 29.667 29.700 0.008 0.000 0.766 94 E HN 0.433 nan 8.360 nan 0.000 0.468 95 A N 0.704 123.517 122.820 -0.012 0.000 2.021 95 A HA -0.088 4.232 4.320 -0.001 0.000 0.216 95 A C 0.777 178.392 177.584 0.052 0.000 1.163 95 A CA -0.003 52.076 52.037 0.070 0.000 0.676 95 A CB -0.402 18.731 19.000 0.221 0.000 0.818 95 A HN 0.313 nan 8.150 nan 0.000 0.453 96 Y N 2.519 122.656 120.300 -0.271 0.000 2.754 96 Y HA 0.116 4.666 4.550 -0.000 0.000 0.349 96 Y C 0.239 175.975 175.900 -0.274 0.000 1.179 96 Y CA 0.202 58.048 58.100 -0.422 0.000 1.538 96 Y CB 0.402 38.371 38.460 -0.818 0.000 1.200 96 Y HN 0.458 nan 8.280 nan 0.000 0.522 97 D N 4.242 124.410 120.400 -0.387 0.000 2.599 97 D HA 0.030 4.670 4.640 -0.001 0.000 0.249 97 D C -0.519 175.735 176.300 -0.077 0.000 1.313 97 D CA -0.383 53.546 54.000 -0.118 0.000 0.815 97 D CB -0.701 40.091 40.800 -0.013 0.000 1.077 97 D HN 0.135 nan 8.370 nan 0.000 0.492 98 F N 1.187 120.906 119.950 -0.384 0.000 2.589 98 F HA 0.274 4.800 4.527 -0.001 0.000 0.352 98 F C 1.216 176.965 175.800 -0.085 0.000 1.168 98 F CA -0.704 57.148 58.000 -0.246 0.000 1.353 98 F CB 0.358 39.109 39.000 -0.416 0.000 1.116 98 F HN -0.102 nan 8.300 nan 0.000 0.608 99 I N 3.915 124.557 120.570 0.120 0.000 2.530 99 I HA 0.226 4.396 4.170 -0.001 0.000 0.297 99 I C -1.785 174.355 176.117 0.037 0.000 1.011 99 I CA -1.803 59.472 61.300 -0.043 0.000 1.107 99 I CB 2.475 40.296 38.000 -0.299 0.000 1.285 99 I HN 0.338 nan 8.210 nan 0.000 0.436 100 P HA 0.065 nan 4.420 nan 0.000 0.255 100 P C 1.079 178.525 177.300 0.243 0.000 1.248 100 P CA 0.377 63.533 63.100 0.093 0.000 0.807 100 P CB 0.126 31.920 31.700 0.158 0.000 1.150 101 T N -0.349 114.375 114.554 0.284 0.000 2.803 101 T HA -0.138 4.211 4.350 -0.001 0.000 0.269 101 T C 1.699 176.493 174.700 0.158 0.000 1.052 101 T CA 2.033 64.294 62.100 0.269 0.000 1.136 101 T CB -0.745 68.336 68.868 0.355 0.000 0.864 101 T HN 0.296 nan 8.240 nan 0.000 0.467 102 S N 0.143 115.996 115.700 0.255 0.000 2.631 102 S HA 0.309 4.778 4.470 -0.001 0.000 0.217 102 S C 0.458 175.115 174.600 0.096 0.000 0.958 102 S CA -0.369 57.934 58.200 0.171 0.000 0.920 102 S CB -0.549 62.787 63.200 0.227 0.000 0.776 102 S HN 0.369 nan 8.310 nan 0.000 0.517 103 M N 1.517 121.196 119.600 0.132 0.000 2.664 103 M HA 0.538 5.018 4.480 -0.001 0.000 0.314 103 M C -1.060 175.360 176.300 0.199 0.000 1.200 103 M CA -0.719 54.652 55.300 0.118 0.000 0.916 103 M CB 1.475 34.111 32.600 0.059 0.000 1.717 103 M HN -0.022 nan 8.290 nan 0.000 0.470 104 D N 2.131 122.603 120.400 0.121 0.000 2.228 104 D HA 0.515 5.155 4.640 -0.001 0.000 0.247 104 D C -2.445 173.810 176.300 -0.075 0.000 0.995 104 D CA -1.036 53.009 54.000 0.075 0.000 0.903 104 D CB 1.561 42.419 40.800 0.095 0.000 1.205 104 D HN 0.254 nan 8.370 nan 0.000 0.459 105 P HA 0.125 nan 4.420 nan 0.000 0.274 105 P C -1.856 175.338 177.300 -0.177 0.000 1.246 105 P CA -0.919 61.996 63.100 -0.309 0.000 0.795 105 P CB 0.552 31.922 31.700 -0.549 0.000 1.006 106 P HA -0.095 nan 4.420 nan 0.000 0.222 106 P C 1.453 178.748 177.300 -0.009 0.000 1.153 106 P CA 1.064 64.137 63.100 -0.046 0.000 0.798 106 P CB 0.132 31.830 31.700 -0.003 0.000 0.796 107 E N 0.656 120.874 120.200 0.030 0.000 2.086 107 E HA -0.274 4.076 4.350 -0.001 0.000 0.200 107 E C 2.307 179.019 176.600 0.187 0.000 1.012 107 E CA 1.259 57.722 56.400 0.105 0.000 0.812 107 E CB -0.343 29.423 29.700 0.110 0.000 0.743 107 E HN 0.179 nan 8.360 nan 0.000 0.453 108 Q N 0.542 120.408 119.800 0.111 0.000 2.061 108 Q HA -0.254 4.085 4.340 -0.001 0.000 0.204 108 Q C 2.218 178.306 176.000 0.146 0.000 0.984 108 Q CA 1.626 57.510 55.803 0.135 0.000 0.846 108 Q CB -0.123 28.604 28.738 -0.018 0.000 0.902 108 Q HN 0.299 nan 8.270 nan 0.000 0.421 109 R N 0.455 120.965 120.500 0.017 0.000 2.136 109 R HA -0.251 4.089 4.340 -0.001 0.000 0.242 109 R C 2.503 178.799 176.300 -0.007 0.000 1.131 109 R CA 2.319 58.408 56.100 -0.019 0.000 0.937 109 R CB -0.887 29.381 30.300 -0.053 0.000 0.863 109 R HN 0.638 nan 8.270 nan 0.000 0.435 110 Q N -0.124 119.646 119.800 -0.051 0.000 2.248 110 Q HA -0.170 4.170 4.340 -0.001 0.000 0.208 110 Q C 1.689 177.533 176.000 -0.260 0.000 0.984 110 Q CA 1.727 57.416 55.803 -0.191 0.000 0.875 110 Q CB -0.414 28.133 28.738 -0.318 0.000 0.910 110 Q HN 0.352 nan 8.270 nan 0.000 0.433 111 F N 0.788 120.730 119.950 -0.014 0.000 2.512 111 F HA 0.146 4.673 4.527 -0.001 0.000 0.296 111 F C 2.394 178.192 175.800 -0.003 0.000 1.110 111 F CA 0.461 58.460 58.000 -0.001 0.000 1.446 111 F CB 0.057 39.067 39.000 0.017 0.000 1.092 111 F HN -0.060 nan 8.300 nan 0.000 0.554 112 R N 0.212 120.791 120.500 0.132 0.000 2.092 112 R HA -0.104 4.236 4.340 -0.001 0.000 0.231 112 R C 2.468 178.789 176.300 0.035 0.000 1.119 112 R CA 1.069 57.210 56.100 0.068 0.000 0.970 112 R CB -0.632 29.678 30.300 0.017 0.000 0.864 112 R HN 0.273 nan 8.270 nan 0.000 0.440 113 A N 1.311 124.134 122.820 0.005 0.000 1.865 113 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 113 A C 2.062 179.645 177.584 -0.001 0.000 1.191 113 A CA 1.258 53.288 52.037 -0.011 0.000 0.623 113 A CB -0.581 18.396 19.000 -0.038 0.000 0.826 113 A HN 0.247 nan 8.150 nan 0.000 0.444 114 L N -0.205 121.018 121.223 0.000 0.000 2.017 114 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 114 L C 2.689 179.581 176.870 0.037 0.000 1.073 114 L CA 2.365 57.213 54.840 0.013 0.000 0.745 114 L CB -0.880 41.191 42.059 0.020 0.000 0.894 114 L HN 0.353 nan 8.230 nan 0.000 0.432 115 A N -0.703 122.155 122.820 0.063 0.000 1.933 115 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 115 A C 2.192 179.803 177.584 0.044 0.000 1.175 115 A CA 1.770 53.844 52.037 0.062 0.000 0.628 115 A CB -0.866 18.181 19.000 0.078 0.000 0.814 115 A HN 0.615 nan 8.150 nan 0.000 0.444 116 N N -0.087 118.633 118.700 0.035 0.000 2.289 116 N HA -0.145 4.595 4.740 -0.001 0.000 0.184 116 N C 1.778 177.301 175.510 0.021 0.000 1.016 116 N CA 1.362 54.429 53.050 0.029 0.000 0.872 116 N CB -0.260 38.239 38.487 0.021 0.000 0.973 116 N HN 0.689 nan 8.380 nan 0.000 0.433 117 Q N -0.252 119.555 119.800 0.013 0.000 2.297 117 Q HA -0.039 4.301 4.340 -0.001 0.000 0.204 117 Q C 1.843 177.845 176.000 0.003 0.000 0.962 117 Q CA 1.014 56.819 55.803 0.003 0.000 0.879 117 Q CB 0.285 29.021 28.738 -0.003 0.000 0.947 117 Q HN 0.357 nan 8.270 nan 0.000 0.462 118 V N -3.341 116.580 119.914 0.013 0.000 3.565 118 V HA 0.108 4.228 4.120 -0.001 0.000 0.260 118 V C 1.446 177.551 176.094 0.019 0.000 1.231 118 V CA 0.387 62.690 62.300 0.006 0.000 1.100 118 V CB 0.621 32.450 31.823 0.009 0.000 0.807 118 V HN 0.215 nan 8.190 nan 0.000 0.454 119 V N -2.678 117.258 119.914 0.037 0.000 3.392 119 V HA 0.697 4.817 4.120 -0.001 0.000 0.294 119 V C 1.044 177.168 176.094 0.049 0.000 1.561 119 V CA 0.299 62.630 62.300 0.051 0.000 1.056 119 V CB -0.519 31.350 31.823 0.076 0.000 0.882 119 V HN 0.431 nan 8.190 nan 0.000 0.440 120 G N -0.111 108.718 108.800 0.047 0.000 2.653 120 G HA2 0.329 4.289 3.960 -0.001 0.000 0.265 120 G HA3 0.329 4.289 3.960 -0.001 0.000 0.265 120 G C 0.546 175.476 174.900 0.050 0.000 1.237 120 G CA 0.218 45.361 45.100 0.072 0.000 0.946 120 G HN 0.145 nan 8.290 nan 0.000 0.522 121 M N 0.630 120.237 119.600 0.012 0.000 2.082 121 M HA -0.039 4.441 4.480 -0.001 0.000 0.258 121 M C -0.181 176.098 176.300 -0.035 0.000 1.069 121 M CA 1.856 57.120 55.300 -0.060 0.000 1.102 121 M CB -1.103 31.372 32.600 -0.207 0.000 1.336 121 M HN 0.316 nan 8.290 nan 0.000 0.404 122 P HA -0.150 nan 4.420 nan 0.000 0.216 122 P C 1.723 179.015 177.300 -0.014 0.000 1.153 122 P CA 1.422 64.508 63.100 -0.025 0.000 0.858 122 P CB -0.143 31.543 31.700 -0.023 0.000 0.789 123 V N -0.755 119.154 119.914 -0.007 0.000 2.427 123 V HA -0.170 3.950 4.120 -0.001 0.000 0.248 123 V C 2.418 178.511 176.094 -0.001 0.000 1.051 123 V CA 1.526 63.822 62.300 -0.007 0.000 1.048 123 V CB -1.134 30.687 31.823 -0.003 0.000 0.666 123 V HN -0.031 nan 8.190 nan 0.000 0.456 124 V N 0.378 120.298 119.914 0.009 0.000 2.469 124 V HA -0.265 3.855 4.120 -0.001 0.000 0.251 124 V C 2.244 178.346 176.094 0.012 0.000 1.064 124 V CA 2.129 64.440 62.300 0.018 0.000 1.066 124 V CB -0.686 31.157 31.823 0.033 0.000 0.667 124 V HN 0.570 nan 8.190 nan 0.000 0.461 125 D N -0.029 120.372 120.400 0.002 0.000 2.117 125 D HA -0.121 4.519 4.640 -0.001 0.000 0.198 125 D C 2.264 178.565 176.300 0.001 0.000 0.982 125 D CA 1.092 55.092 54.000 0.000 0.000 0.828 125 D CB -0.192 40.602 40.800 -0.009 0.000 0.967 125 D HN 0.418 nan 8.370 nan 0.000 0.464 126 K N 0.152 120.550 120.400 -0.004 0.000 2.097 126 K HA 0.007 4.326 4.320 -0.001 0.000 0.205 126 K C 1.957 178.555 176.600 -0.003 0.000 1.050 126 K CA 0.570 56.853 56.287 -0.006 0.000 0.938 126 K CB -0.006 32.486 32.500 -0.014 0.000 0.718 126 K HN 0.172 nan 8.250 nan 0.000 0.442 127 L N 0.786 122.008 121.223 -0.002 0.000 2.591 127 L HA 0.004 4.344 4.340 -0.001 0.000 0.228 127 L C 2.198 179.081 176.870 0.021 0.000 1.133 127 L CA 0.112 54.952 54.840 0.001 0.000 0.880 127 L CB -0.239 41.814 42.059 -0.010 0.000 1.033 127 L HN 0.261 nan 8.230 nan 0.000 0.450 128 E N 1.450 121.666 120.200 0.026 0.000 2.068 128 E HA -0.313 4.037 4.350 -0.001 0.000 0.207 128 E C 1.638 178.270 176.600 0.053 0.000 1.032 128 E CA 2.280 58.706 56.400 0.043 0.000 0.839 128 E CB -0.023 29.697 29.700 0.033 0.000 0.758 128 E HN 0.594 nan 8.360 nan 0.000 0.457 129 N N -0.598 118.126 118.700 0.039 0.000 2.069 129 N HA -0.160 4.579 4.740 -0.001 0.000 0.191 129 N C 1.973 177.515 175.510 0.053 0.000 1.031 129 N CA 0.918 53.993 53.050 0.041 0.000 0.852 129 N CB -0.011 38.492 38.487 0.027 0.000 1.018 129 N HN 0.073 nan 8.380 nan 0.000 0.423 130 R N 0.945 121.472 120.500 0.045 0.000 2.092 130 R HA 0.003 4.343 4.340 -0.001 0.000 0.231 130 R C 2.135 178.490 176.300 0.092 0.000 1.119 130 R CA 0.691 56.821 56.100 0.050 0.000 0.970 130 R CB -0.804 29.509 30.300 0.021 0.000 0.864 130 R HN 0.398 nan 8.270 nan 0.000 0.440 131 I N 0.842 121.474 120.570 0.103 0.000 2.179 131 I HA -0.301 3.869 4.170 -0.001 0.000 0.242 131 I C 2.665 178.962 176.117 0.301 0.000 1.088 131 I CA 1.308 62.725 61.300 0.195 0.000 1.357 131 I CB -0.304 37.790 38.000 0.156 0.000 1.051 131 I HN 0.099 nan 8.210 nan 0.000 0.409 132 Q N 1.243 121.154 119.800 0.186 0.000 2.061 132 Q HA -0.273 4.067 4.340 -0.001 0.000 0.204 132 Q C 2.148 178.223 176.000 0.125 0.000 0.984 132 Q CA 1.890 57.781 55.803 0.146 0.000 0.846 132 Q CB -0.302 28.492 28.738 0.094 0.000 0.902 132 Q HN 0.336 nan 8.270 nan 0.000 0.421 133 E N -0.262 120.002 120.200 0.107 0.000 2.058 133 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 133 E C 1.900 178.561 176.600 0.102 0.000 0.997 133 E CA 1.315 57.765 56.400 0.083 0.000 0.801 133 E CB -0.311 29.427 29.700 0.063 0.000 0.746 133 E HN 0.417 nan 8.360 nan 0.000 0.450 134 L N 0.943 122.259 121.223 0.154 0.000 2.046 134 L HA -0.067 4.272 4.340 -0.001 0.000 0.208 134 L C 2.401 179.377 176.870 0.177 0.000 1.077 134 L CA 2.261 57.209 54.840 0.181 0.000 0.747 134 L CB -1.031 41.172 42.059 0.241 0.000 0.896 134 L HN 0.121 nan 8.230 nan 0.000 0.432 135 A N -1.210 121.713 122.820 0.172 0.000 1.883 135 A HA -0.269 4.051 4.320 -0.001 0.000 0.217 135 A C 2.410 180.022 177.584 0.046 0.000 1.186 135 A CA 2.042 54.044 52.037 -0.057 0.000 0.624 135 A CB -1.513 17.353 19.000 -0.223 0.000 0.822 135 A HN 0.630 nan 8.150 nan 0.000 0.444 136 C N -0.834 118.487 119.300 0.035 0.000 2.432 136 C HA -0.052 4.408 4.460 -0.001 0.000 0.277 136 C C 3.283 178.277 174.990 0.006 0.000 1.249 136 C CA 1.232 60.252 59.018 0.003 0.000 1.725 136 C CB -1.305 26.439 27.740 0.007 0.000 2.028 136 C HN 0.627 nan 8.230 nan 0.000 0.477 137 S N 1.179 116.901 115.700 0.036 0.000 2.359 137 S HA -0.122 4.348 4.470 -0.001 0.000 0.224 137 S C 1.750 176.376 174.600 0.043 0.000 1.035 137 S CA 1.371 59.592 58.200 0.035 0.000 1.018 137 S CB -0.442 62.786 63.200 0.046 0.000 0.876 137 S HN 0.549 nan 8.310 nan 0.000 0.448 138 L N 0.869 122.142 121.223 0.083 0.000 2.017 138 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 138 L C 2.239 179.173 176.870 0.106 0.000 1.073 138 L CA 1.222 56.138 54.840 0.127 0.000 0.745 138 L CB -0.569 41.607 42.059 0.195 0.000 0.894 138 L HN 0.307 nan 8.230 nan 0.000 0.432 139 I N -0.444 120.153 120.570 0.044 0.000 2.252 139 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 139 I C 2.587 178.569 176.117 -0.224 0.000 1.102 139 I CA 1.029 62.210 61.300 -0.198 0.000 1.385 139 I CB -0.240 37.559 38.000 -0.335 0.000 1.064 139 I HN 0.247 nan 8.210 nan 0.000 0.414 140 E N 0.874 120.997 120.200 -0.128 0.000 2.153 140 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 140 E C 2.192 178.764 176.600 -0.046 0.000 0.988 140 E CA 1.641 57.981 56.400 -0.100 0.000 0.811 140 E CB -0.213 29.451 29.700 -0.059 0.000 0.746 140 E HN 0.248 nan 8.360 nan 0.000 0.466 141 S N -0.953 114.741 115.700 -0.011 0.000 2.402 141 S HA -0.028 4.442 4.470 -0.001 0.000 0.229 141 S C 1.775 176.405 174.600 0.050 0.000 1.021 141 S CA 1.032 59.246 58.200 0.024 0.000 0.974 141 S CB -0.183 63.041 63.200 0.040 0.000 0.800 141 S HN 0.375 nan 8.310 nan 0.000 0.484 142 L N 0.658 121.913 121.223 0.053 0.000 2.209 142 L HA 0.122 4.461 4.340 -0.001 0.000 0.207 142 L C 2.707 179.740 176.870 0.272 0.000 1.094 142 L CA 0.704 55.640 54.840 0.159 0.000 0.790 142 L CB -0.543 41.627 42.059 0.184 0.000 0.932 142 L HN 0.284 nan 8.230 nan 0.000 0.447 143 R N 1.039 121.573 120.500 0.056 0.000 2.162 143 R HA -0.215 4.124 4.340 -0.001 0.000 0.245 143 R C -0.530 175.970 176.300 0.334 0.000 1.129 143 R CA 2.547 58.695 56.100 0.079 0.000 0.940 143 R CB -1.326 28.899 30.300 -0.125 0.000 0.875 143 R HN 0.249 nan 8.270 nan 0.000 0.437 144 P HA -0.109 nan 4.420 nan 0.000 0.226 144 P C 0.453 177.802 177.300 0.082 0.000 1.153 144 P CA 1.283 64.457 63.100 0.125 0.000 0.777 144 P CB -0.031 31.705 31.700 0.060 0.000 0.794 145 Q N -0.447 119.403 119.800 0.084 0.000 2.167 145 Q HA 0.042 4.382 4.340 -0.001 0.000 0.202 145 Q C 1.623 177.443 176.000 -0.299 0.000 0.970 145 Q CA 1.078 56.846 55.803 -0.058 0.000 0.855 145 Q CB -0.566 28.157 28.738 -0.023 0.000 0.911 145 Q HN 0.292 nan 8.270 nan 0.000 0.438 146 G N 1.391 109.838 108.800 -0.588 0.000 2.155 146 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.257 146 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.257 146 G C -0.106 173.744 174.900 -1.750 0.000 0.983 146 G CA 0.741 44.977 45.100 -1.440 0.000 0.676 146 G HN 0.468 nan 8.290 nan 0.000 0.528 147 Q N -1.969 116.879 119.800 -1.585 0.000 2.721 147 Q HA 0.622 4.961 4.340 -0.001 0.000 0.282 147 Q C -0.405 175.438 176.000 -0.261 0.000 0.932 147 Q CA -0.762 54.534 55.803 -0.844 0.000 0.816 147 Q CB 1.393 29.903 28.738 -0.380 0.000 1.506 147 Q HN 1.573 nan 8.270 nan 0.000 0.399 148 C N -0.361 118.988 119.300 0.081 0.000 3.253 148 C HA 0.627 5.087 4.460 -0.001 0.000 0.342 148 C C -1.693 173.436 174.990 0.231 0.000 1.306 148 C CA -0.828 58.338 59.018 0.247 0.000 1.207 148 C CB 1.399 29.444 27.740 0.508 0.000 1.479 148 C HN 0.892 nan 8.230 nan 0.000 0.469 149 N N 1.339 120.150 118.700 0.186 0.000 2.699 149 N HA 0.250 4.990 4.740 -0.001 0.000 0.232 149 N C 0.300 175.918 175.510 0.180 0.000 1.027 149 N CA -0.326 52.816 53.050 0.155 0.000 0.920 149 N CB 0.827 39.370 38.487 0.092 0.000 1.148 149 N HN 0.765 nan 8.380 nan 0.000 0.509 150 F N 2.768 122.774 119.950 0.093 0.000 2.087 150 F HA -0.322 4.205 4.527 -0.000 0.000 0.299 150 F C 2.577 178.416 175.800 0.065 0.000 1.100 150 F CA 2.157 60.197 58.000 0.066 0.000 1.226 150 F CB -0.258 38.707 39.000 -0.059 0.000 0.983 150 F HN 0.412 nan 8.300 nan 0.000 0.479 151 T N -1.341 113.251 114.554 0.063 0.000 2.684 151 T HA -0.305 4.044 4.350 -0.001 0.000 0.267 151 T C 1.714 176.361 174.700 -0.090 0.000 1.036 151 T CA 1.721 63.802 62.100 -0.030 0.000 1.148 151 T CB -0.918 67.960 68.868 0.018 0.000 0.863 151 T HN 0.697 nan 8.240 nan 0.000 0.436 152 E N 0.789 120.966 120.200 -0.038 0.000 2.250 152 E HA -0.041 4.308 4.350 -0.001 0.000 0.192 152 E C 1.330 177.909 176.600 -0.035 0.000 0.986 152 E CA 0.754 57.136 56.400 -0.030 0.000 0.849 152 E CB -0.134 29.568 29.700 0.004 0.000 0.797 152 E HN 0.394 nan 8.360 nan 0.000 0.482 153 D N -0.672 119.714 120.400 -0.023 0.000 2.323 153 D HA -0.021 4.619 4.640 -0.001 0.000 0.209 153 D C 0.672 176.986 176.300 0.024 0.000 0.973 153 D CA 0.847 54.864 54.000 0.028 0.000 0.874 153 D CB 0.238 41.109 40.800 0.118 0.000 0.930 153 D HN 0.326 nan 8.370 nan 0.000 0.521 154 Y N -0.453 119.651 120.300 -0.327 0.000 3.032 154 Y HA 0.302 4.852 4.550 -0.001 0.000 0.232 154 Y C 1.971 177.648 175.900 -0.371 0.000 1.099 154 Y CA 0.575 58.460 58.100 -0.359 0.000 1.328 154 Y CB -0.216 37.939 38.460 -0.508 0.000 1.432 154 Y HN -0.151 nan 8.280 nan 0.000 0.433 155 A N 1.036 123.542 122.820 -0.524 0.000 1.927 155 A HA -0.250 4.070 4.320 -0.001 0.000 0.220 155 A C 1.787 179.309 177.584 -0.103 0.000 1.185 155 A CA 2.567 54.476 52.037 -0.213 0.000 0.639 155 A CB -0.618 18.282 19.000 -0.166 0.000 0.820 155 A HN 0.709 nan 8.150 nan 0.000 0.451 156 E N -1.023 119.099 120.200 -0.129 0.000 2.030 156 E HA -0.066 4.283 4.350 -0.001 0.000 0.189 156 E C -0.526 176.020 176.600 -0.089 0.000 0.974 156 E CA 0.634 56.985 56.400 -0.082 0.000 0.807 156 E CB -0.581 29.084 29.700 -0.060 0.000 0.771 156 E HN 0.511 nan 8.360 nan 0.000 0.451 157 P HA -0.197 nan 4.420 nan 0.000 0.216 157 P C 1.397 178.639 177.300 -0.096 0.000 1.150 157 P CA 1.152 64.202 63.100 -0.083 0.000 0.837 157 P CB -0.061 31.600 31.700 -0.065 0.000 0.786 158 F N 2.639 122.358 119.950 -0.386 0.000 2.031 158 F HA -0.050 4.477 4.527 -0.001 0.000 0.295 158 F C -0.863 174.827 175.800 -0.184 0.000 1.133 158 F CA 1.594 59.347 58.000 -0.413 0.000 1.188 158 F CB -2.000 36.461 39.000 -0.898 0.000 0.974 158 F HN -0.026 nan 8.300 nan 0.000 0.473 159 P HA -0.112 nan 4.420 nan 0.000 0.216 159 P C 2.119 179.312 177.300 -0.178 0.000 1.153 159 P CA 1.978 64.858 63.100 -0.366 0.000 0.844 159 P CB -0.097 31.517 31.700 -0.143 0.000 0.787 160 I N -0.819 119.688 120.570 -0.104 0.000 2.252 160 I HA -0.200 3.970 4.170 -0.001 0.000 0.245 160 I C 2.460 178.583 176.117 0.011 0.000 1.102 160 I CA 1.386 62.675 61.300 -0.019 0.000 1.385 160 I CB -0.484 37.501 38.000 -0.025 0.000 1.064 160 I HN -0.136 nan 8.210 nan 0.000 0.414 161 R N 0.423 120.896 120.500 -0.044 0.000 2.115 161 R HA -0.090 4.249 4.340 -0.001 0.000 0.230 161 R C 2.236 178.507 176.300 -0.048 0.000 1.111 161 R CA 1.025 57.107 56.100 -0.030 0.000 0.976 161 R CB -0.104 30.179 30.300 -0.029 0.000 0.870 161 R HN 0.287 nan 8.270 nan 0.000 0.445 162 I N -0.052 120.455 120.570 -0.105 0.000 2.315 162 I HA -0.234 3.936 4.170 -0.001 0.000 0.248 162 I C 2.085 178.167 176.117 -0.059 0.000 1.117 162 I CA 1.204 62.435 61.300 -0.116 0.000 1.404 162 I CB -0.749 37.108 38.000 -0.238 0.000 1.071 162 I HN 0.064 nan 8.210 nan 0.000 0.419 163 F N 1.442 121.317 119.950 -0.124 0.000 2.146 163 F HA -0.199 4.327 4.527 -0.001 0.000 0.298 163 F C 2.548 178.317 175.800 -0.052 0.000 1.096 163 F CA 1.457 59.407 58.000 -0.083 0.000 1.275 163 F CB -0.111 38.841 39.000 -0.081 0.000 1.008 163 F HN -0.088 nan 8.300 nan 0.000 0.480 164 M N -0.410 119.183 119.600 -0.012 0.000 2.213 164 M HA -0.145 4.335 4.480 -0.001 0.000 0.263 164 M C 2.257 178.481 176.300 -0.126 0.000 1.062 164 M CA 1.181 56.449 55.300 -0.053 0.000 1.105 164 M CB -1.480 31.141 32.600 0.035 0.000 1.385 164 M HN 0.344 nan 8.290 nan 0.000 0.417 165 L N 0.691 121.848 121.223 -0.111 0.000 1.994 165 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 165 L C 2.289 179.068 176.870 -0.152 0.000 1.071 165 L CA 1.507 56.287 54.840 -0.100 0.000 0.745 165 L CB -0.981 41.034 42.059 -0.073 0.000 0.892 165 L HN 0.227 nan 8.230 nan 0.000 0.431 166 L N 0.098 121.186 121.223 -0.224 0.000 2.079 166 L HA -0.071 4.269 4.340 -0.001 0.000 0.210 166 L C 2.215 178.893 176.870 -0.319 0.000 1.081 166 L CA 2.099 56.782 54.840 -0.262 0.000 0.752 166 L CB -0.953 40.920 42.059 -0.311 0.000 0.896 166 L HN 0.293 nan 8.230 nan 0.000 0.433 167 A N -0.982 121.560 122.820 -0.463 0.000 2.251 167 A HA 0.391 4.710 4.320 -0.001 0.000 0.209 167 A C 1.561 179.043 177.584 -0.169 0.000 1.187 167 A CA 0.468 52.283 52.037 -0.369 0.000 0.823 167 A CB -1.084 17.603 19.000 -0.521 0.000 0.846 167 A HN 0.831 nan 8.150 nan 0.000 0.486 168 G N -0.384 108.334 108.800 -0.137 0.000 2.323 168 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.292 168 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.292 168 G C -0.163 174.718 174.900 -0.032 0.000 1.040 168 G CA 0.667 45.724 45.100 -0.072 0.000 0.942 168 G HN 0.508 nan 8.290 nan 0.000 0.506 169 L N 0.590 121.804 121.223 -0.014 0.000 2.346 169 L HA 0.534 4.874 4.340 -0.001 0.000 0.274 169 L C -1.663 175.241 176.870 0.056 0.000 1.007 169 L CA -2.507 52.367 54.840 0.058 0.000 0.818 169 L CB 2.234 44.375 42.059 0.137 0.000 1.284 169 L HN -0.026 nan 8.230 nan 0.000 0.424 170 P HA 0.056 nan 4.420 nan 0.000 0.268 170 P C -0.172 177.166 177.300 0.063 0.000 1.204 170 P CA -0.103 63.031 63.100 0.056 0.000 0.768 170 P CB 0.884 32.619 31.700 0.058 0.000 0.842 171 E N 1.794 122.018 120.200 0.040 0.000 2.333 171 E HA -0.192 4.158 4.350 -0.001 0.000 0.198 171 E C 1.505 178.129 176.600 0.040 0.000 1.007 171 E CA 0.954 57.376 56.400 0.036 0.000 0.845 171 E CB 0.014 29.728 29.700 0.022 0.000 0.766 171 E HN 0.682 nan 8.360 nan 0.000 0.507 172 E N 0.993 121.219 120.200 0.044 0.000 2.409 172 E HA -0.170 4.179 4.350 -0.001 0.000 0.198 172 E C 0.781 177.416 176.600 0.059 0.000 1.024 172 E CA 0.832 57.258 56.400 0.043 0.000 0.861 172 E CB 0.062 29.784 29.700 0.037 0.000 0.788 172 E HN 0.103 nan 8.360 nan 0.000 0.521 173 D N 0.801 121.249 120.400 0.080 0.000 2.348 173 D HA 0.095 4.734 4.640 -0.001 0.000 0.211 173 D C 1.789 178.118 176.300 0.049 0.000 0.998 173 D CA 0.138 54.196 54.000 0.098 0.000 0.873 173 D CB 0.058 40.961 40.800 0.172 0.000 0.925 173 D HN 0.282 nan 8.370 nan 0.000 0.524 174 I N 1.525 122.118 120.570 0.038 0.000 2.118 174 I HA -0.238 3.932 4.170 -0.001 0.000 0.241 174 I C -0.575 175.554 176.117 0.020 0.000 1.070 174 I CA 1.342 62.652 61.300 0.017 0.000 1.327 174 I CB -1.306 36.705 38.000 0.018 0.000 1.034 174 I HN 0.009 nan 8.210 nan 0.000 0.405 175 P HA -0.227 nan 4.420 nan 0.000 0.215 175 P C 1.511 178.867 177.300 0.093 0.000 1.157 175 P CA 1.713 64.847 63.100 0.056 0.000 0.874 175 P CB -0.075 31.654 31.700 0.049 0.000 0.790 176 H N -0.486 118.579 119.070 -0.009 0.000 2.293 176 H HA -0.061 4.495 4.556 -0.000 0.000 0.300 176 H C 1.811 177.128 175.328 -0.019 0.000 1.082 176 H CA 1.569 57.615 56.048 -0.005 0.000 1.308 176 H CB -1.055 28.687 29.762 -0.033 0.000 1.375 176 H HN -0.051 nan 8.280 nan 0.000 0.495 177 L N -0.127 120.978 121.223 -0.197 0.000 2.083 177 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 177 L C 2.526 179.279 176.870 -0.194 0.000 1.083 177 L CA 1.601 56.255 54.840 -0.311 0.000 0.752 177 L CB -0.445 41.439 42.059 -0.292 0.000 0.899 177 L HN 0.215 nan 8.230 nan 0.000 0.433 178 K N 0.022 120.366 120.400 -0.095 0.000 2.097 178 K HA -0.244 4.075 4.320 -0.001 0.000 0.206 178 K C 2.111 178.680 176.600 -0.052 0.000 1.049 178 K CA 1.485 57.734 56.287 -0.064 0.000 0.933 178 K CB -0.568 31.920 32.500 -0.020 0.000 0.717 178 K HN 0.235 nan 8.250 nan 0.000 0.442 179 Y N 0.732 120.959 120.300 -0.121 0.000 2.145 179 Y HA -0.122 4.428 4.550 -0.000 0.000 0.286 179 Y C 1.580 177.398 175.900 -0.136 0.000 1.145 179 Y CA 1.799 59.838 58.100 -0.103 0.000 1.148 179 Y CB -0.211 38.199 38.460 -0.083 0.000 0.981 179 Y HN 0.012 nan 8.280 nan 0.000 0.507 180 L N -0.313 120.740 121.223 -0.284 0.000 2.017 180 L HA -0.234 4.106 4.340 -0.001 0.000 0.208 180 L C 2.670 179.353 176.870 -0.311 0.000 1.073 180 L CA 2.062 56.686 54.840 -0.359 0.000 0.745 180 L CB -1.328 40.530 42.059 -0.335 0.000 0.894 180 L HN 0.393 nan 8.230 nan 0.000 0.432 181 T N -3.543 110.874 114.554 -0.227 0.000 2.720 181 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 181 T C 1.462 176.095 174.700 -0.111 0.000 1.037 181 T CA 1.559 63.573 62.100 -0.143 0.000 1.144 181 T CB -0.472 68.324 68.868 -0.120 0.000 0.864 181 T HN 0.188 nan 8.240 nan 0.000 0.444 182 D N 1.072 121.379 120.400 -0.155 0.000 2.263 182 D HA -0.045 4.595 4.640 -0.001 0.000 0.208 182 D C 2.358 178.571 176.300 -0.144 0.000 0.971 182 D CA 0.642 54.572 54.000 -0.118 0.000 0.867 182 D CB -0.252 40.476 40.800 -0.119 0.000 0.929 182 D HN 0.391 nan 8.370 nan 0.000 0.492 183 Q N -0.590 119.048 119.800 -0.271 0.000 2.297 183 Q HA 0.086 4.426 4.340 -0.001 0.000 0.204 183 Q C 1.946 177.902 176.000 -0.074 0.000 0.962 183 Q CA 0.485 56.142 55.803 -0.243 0.000 0.879 183 Q CB -0.099 28.410 28.738 -0.381 0.000 0.947 183 Q HN 0.440 nan 8.270 nan 0.000 0.462 184 M N -0.306 119.286 119.600 -0.014 0.000 2.514 184 M HA -0.028 4.452 4.480 -0.001 0.000 0.258 184 M C 1.542 178.097 176.300 0.424 0.000 1.119 184 M CA 1.343 56.789 55.300 0.243 0.000 1.111 184 M CB 0.194 32.886 32.600 0.152 0.000 1.390 184 M HN 0.204 nan 8.290 nan 0.000 0.475 185 T N -2.676 112.019 114.554 0.235 0.000 3.026 185 T HA 0.217 4.567 4.350 -0.001 0.000 0.245 185 T C 1.051 175.894 174.700 0.238 0.000 1.004 185 T CA -0.222 62.009 62.100 0.218 0.000 1.069 185 T CB 0.262 69.221 68.868 0.151 0.000 1.005 185 T HN 0.243 nan 8.240 nan 0.000 0.472 186 R N 2.234 122.823 120.500 0.148 0.000 2.638 186 R HA 0.310 4.650 4.340 -0.001 0.000 0.261 186 R C -2.967 173.341 176.300 0.013 0.000 1.515 186 R CA -1.550 54.634 56.100 0.141 0.000 1.623 186 R CB 1.173 31.547 30.300 0.123 0.000 1.347 186 R HN 0.356 nan 8.270 nan 0.000 0.705 187 P HA -0.071 nan 4.420 nan 0.000 0.264 187 P C -0.334 176.914 177.300 -0.087 0.000 1.183 187 P CA 0.417 63.450 63.100 -0.111 0.000 0.763 187 P CB 0.821 32.429 31.700 -0.154 0.000 0.807 188 D N 1.354 121.721 120.400 -0.054 0.000 2.339 188 D HA 0.127 4.767 4.640 -0.001 0.000 0.217 188 D C 1.423 177.718 176.300 -0.009 0.000 1.050 188 D CA 0.457 54.451 54.000 -0.010 0.000 0.856 188 D CB -0.251 40.572 40.800 0.037 0.000 0.922 188 D HN 0.609 nan 8.370 nan 0.000 0.518 189 G N -0.450 108.333 108.800 -0.027 0.000 2.218 189 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.216 189 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.216 189 G C 1.389 176.294 174.900 0.009 0.000 0.994 189 G CA 0.320 45.409 45.100 -0.018 0.000 0.637 189 G HN 0.287 nan 8.290 nan 0.000 0.505 190 S N 0.029 115.753 115.700 0.040 0.000 2.368 190 S HA 0.266 4.736 4.470 -0.001 0.000 0.224 190 S C 1.109 175.746 174.600 0.061 0.000 1.029 190 S CA 1.403 59.650 58.200 0.077 0.000 0.988 190 S CB -0.071 63.238 63.200 0.181 0.000 0.838 190 S HN 0.602 nan 8.310 nan 0.000 0.462 191 M N 0.879 120.496 119.600 0.029 0.000 2.572 191 M HA 0.309 4.789 4.480 -0.001 0.000 0.299 191 M C -0.188 176.100 176.300 -0.019 0.000 1.205 191 M CA -0.611 54.692 55.300 0.005 0.000 0.876 191 M CB 2.266 34.859 32.600 -0.013 0.000 1.728 191 M HN 0.065 nan 8.290 nan 0.000 0.458 192 T N -1.736 112.815 114.554 -0.005 0.000 2.816 192 T HA 0.291 4.641 4.350 -0.001 0.000 0.282 192 T C 0.698 175.416 174.700 0.029 0.000 0.993 192 T CA -0.523 61.592 62.100 0.025 0.000 0.994 192 T CB 0.841 69.735 68.868 0.043 0.000 1.025 192 T HN 0.596 nan 8.240 nan 0.000 0.529 193 F N 1.483 121.411 119.950 -0.036 0.000 2.095 193 F HA -0.020 4.506 4.527 -0.000 0.000 0.298 193 F C 2.572 178.323 175.800 -0.081 0.000 1.104 193 F CA 1.973 59.952 58.000 -0.035 0.000 1.232 193 F CB -0.948 38.064 39.000 0.020 0.000 0.987 193 F HN 0.745 nan 8.300 nan 0.000 0.475 194 A N 0.163 123.047 122.820 0.107 0.000 1.883 194 A HA -0.242 4.078 4.320 -0.001 0.000 0.217 194 A C 2.093 179.607 177.584 -0.116 0.000 1.186 194 A CA 2.042 54.081 52.037 0.003 0.000 0.624 194 A CB -0.958 18.087 19.000 0.075 0.000 0.822 194 A HN 0.598 nan 8.150 nan 0.000 0.444 195 E N -0.323 119.830 120.200 -0.079 0.000 2.106 195 E HA -0.074 4.276 4.350 -0.001 0.000 0.192 195 E C 2.296 178.818 176.600 -0.131 0.000 0.984 195 E CA 0.907 57.266 56.400 -0.069 0.000 0.806 195 E CB -0.290 29.396 29.700 -0.024 0.000 0.750 195 E HN 0.629 nan 8.360 nan 0.000 0.458 196 A N 1.775 124.464 122.820 -0.220 0.000 1.898 196 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 196 A C 2.079 179.432 177.584 -0.384 0.000 1.181 196 A CA 1.432 53.299 52.037 -0.284 0.000 0.620 196 A CB -0.329 18.462 19.000 -0.348 0.000 0.819 196 A HN 0.048 nan 8.150 nan 0.000 0.442 197 K N -0.508 119.543 120.400 -0.581 0.000 2.026 197 K HA -0.184 4.136 4.320 -0.001 0.000 0.208 197 K C 1.793 178.053 176.600 -0.566 0.000 1.048 197 K CA 1.565 57.420 56.287 -0.719 0.000 0.929 197 K CB -0.134 31.840 32.500 -0.877 0.000 0.713 197 K HN 0.319 nan 8.250 nan 0.000 0.439 198 E N 0.253 120.282 120.200 -0.286 0.000 2.153 198 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 198 E C 1.807 178.414 176.600 0.011 0.000 0.988 198 E CA 1.089 57.456 56.400 -0.055 0.000 0.811 198 E CB -0.186 29.522 29.700 0.013 0.000 0.746 198 E HN 0.430 nan 8.360 nan 0.000 0.466 199 A N 0.814 123.611 122.820 -0.038 0.000 1.930 199 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 199 A C 2.208 179.836 177.584 0.074 0.000 1.175 199 A CA 0.941 53.006 52.037 0.046 0.000 0.627 199 A CB -0.433 18.583 19.000 0.027 0.000 0.815 199 A HN 0.240 nan 8.150 nan 0.000 0.443 200 L N -1.540 119.653 121.223 -0.050 0.000 2.056 200 L HA -0.089 4.250 4.340 -0.001 0.000 0.207 200 L C 2.248 179.245 176.870 0.212 0.000 1.078 200 L CA 1.784 56.622 54.840 -0.003 0.000 0.749 200 L CB -0.778 41.196 42.059 -0.142 0.000 0.901 200 L HN 0.445 nan 8.230 nan 0.000 0.433 201 Y N -0.212 120.146 120.300 0.096 0.000 2.181 201 Y HA -0.222 4.328 4.550 -0.001 0.000 0.288 201 Y C 2.574 178.535 175.900 0.102 0.000 1.146 201 Y CA 1.221 59.378 58.100 0.095 0.000 1.164 201 Y CB -1.113 37.382 38.460 0.059 0.000 0.982 201 Y HN 0.369 nan 8.280 nan 0.000 0.515 202 D N -1.039 119.525 120.400 0.274 0.000 2.149 202 D HA -0.269 4.370 4.640 -0.001 0.000 0.198 202 D C 2.147 178.566 176.300 0.198 0.000 0.990 202 D CA 1.256 55.370 54.000 0.191 0.000 0.839 202 D CB -0.411 40.488 40.800 0.166 0.000 0.948 202 D HN 0.356 nan 8.370 nan 0.000 0.460 203 Y N 0.483 120.864 120.300 0.134 0.000 2.145 203 Y HA -0.086 4.463 4.550 -0.001 0.000 0.286 203 Y C 1.980 177.940 175.900 0.099 0.000 1.145 203 Y CA 1.517 59.692 58.100 0.125 0.000 1.148 203 Y CB -0.274 38.280 38.460 0.157 0.000 0.981 203 Y HN 0.014 nan 8.280 nan 0.000 0.507 204 L N -0.485 120.858 121.223 0.200 0.000 2.109 204 L HA -0.182 4.158 4.340 -0.001 0.000 0.207 204 L C 2.410 179.279 176.870 -0.001 0.000 1.086 204 L CA 1.035 55.924 54.840 0.081 0.000 0.760 204 L CB -0.581 41.599 42.059 0.202 0.000 0.910 204 L HN 0.268 nan 8.230 nan 0.000 0.437 205 I N 0.491 121.078 120.570 0.027 0.000 2.103 205 I HA -0.311 3.859 4.170 -0.001 0.000 0.241 205 I C -0.149 175.947 176.117 -0.035 0.000 1.036 205 I CA 2.022 63.317 61.300 -0.007 0.000 1.300 205 I CB -1.697 36.308 38.000 0.008 0.000 1.010 205 I HN 0.283 nan 8.210 nan 0.000 0.406 206 P HA -0.128 nan 4.420 nan 0.000 0.219 206 P C 1.885 179.137 177.300 -0.080 0.000 1.150 206 P CA 1.696 64.758 63.100 -0.064 0.000 0.814 206 P CB -0.087 31.569 31.700 -0.073 0.000 0.787 207 I N -0.400 120.100 120.570 -0.117 0.000 2.226 207 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 207 I C 2.698 178.777 176.117 -0.063 0.000 1.100 207 I CA 1.299 62.532 61.300 -0.112 0.000 1.374 207 I CB -0.607 37.296 38.000 -0.163 0.000 1.057 207 I HN -0.178 nan 8.210 nan 0.000 0.413 208 I N 0.636 121.178 120.570 -0.047 0.000 2.226 208 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 208 I C 2.636 178.736 176.117 -0.028 0.000 1.100 208 I CA 1.343 62.626 61.300 -0.028 0.000 1.374 208 I CB -0.283 37.705 38.000 -0.020 0.000 1.057 208 I HN 0.242 nan 8.210 nan 0.000 0.413 209 E N 0.835 121.016 120.200 -0.032 0.000 2.051 209 E HA -0.271 4.078 4.350 -0.001 0.000 0.192 209 E C 2.158 178.741 176.600 -0.028 0.000 0.991 209 E CA 1.420 57.804 56.400 -0.028 0.000 0.799 209 E CB -0.232 29.451 29.700 -0.028 0.000 0.748 209 E HN 0.263 nan 8.360 nan 0.000 0.449 210 Q N 0.511 120.290 119.800 -0.034 0.000 2.084 210 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 210 Q C 1.925 177.907 176.000 -0.029 0.000 0.978 210 Q CA 1.569 57.352 55.803 -0.033 0.000 0.844 210 Q CB -0.070 28.644 28.738 -0.041 0.000 0.898 210 Q HN 0.304 nan 8.270 nan 0.000 0.426 211 R N -0.670 119.812 120.500 -0.030 0.000 2.299 211 R HA 0.082 4.422 4.340 -0.001 0.000 0.197 211 R C 2.133 178.420 176.300 -0.021 0.000 0.971 211 R CA 0.244 56.329 56.100 -0.026 0.000 1.030 211 R CB 0.141 30.424 30.300 -0.028 0.000 0.932 211 R HN 0.116 nan 8.270 nan 0.000 0.477 212 R N -0.278 120.210 120.500 -0.020 0.000 2.173 212 R HA -0.008 4.332 4.340 -0.001 0.000 0.208 212 R C 1.840 178.130 176.300 -0.016 0.000 1.035 212 R CA 0.647 56.737 56.100 -0.016 0.000 1.004 212 R CB 0.181 30.473 30.300 -0.014 0.000 0.917 212 R HN -0.003 nan 8.270 nan 0.000 0.462 213 Q N 0.752 120.542 119.800 -0.017 0.000 2.123 213 Q HA 0.057 4.397 4.340 -0.001 0.000 0.196 213 Q C -0.111 175.879 176.000 -0.016 0.000 0.958 213 Q CA 1.427 57.220 55.803 -0.016 0.000 0.841 213 Q CB 0.632 29.359 28.738 -0.017 0.000 0.915 213 Q HN -0.045 nan 8.270 nan 0.000 0.455 214 K N 0.760 121.149 120.400 -0.018 0.000 2.679 214 K HA 0.347 4.667 4.320 -0.001 0.000 0.188 214 K C -2.627 173.961 176.600 -0.019 0.000 1.055 214 K CA -1.731 54.545 56.287 -0.018 0.000 1.006 214 K CB 1.704 34.193 32.500 -0.019 0.000 1.317 214 K HN -0.022 nan 8.250 nan 0.000 0.584 215 P HA -0.084 nan 4.420 nan 0.000 0.262 215 P C 0.098 177.386 177.300 -0.020 0.000 1.182 215 P CA 0.346 63.434 63.100 -0.019 0.000 0.761 215 P CB 0.937 32.627 31.700 -0.017 0.000 0.795 216 G N 1.203 109.989 108.800 -0.023 0.000 3.119 216 G HA2 0.453 4.412 3.960 -0.001 0.000 0.206 216 G HA3 0.453 4.412 3.960 -0.001 0.000 0.206 216 G C 0.539 175.423 174.900 -0.027 0.000 1.313 216 G CA -0.121 44.964 45.100 -0.025 0.000 1.010 216 G HN 0.392 nan 8.290 nan 0.000 0.578 217 T N -1.813 112.722 114.554 -0.031 0.000 3.001 217 T HA 0.163 4.513 4.350 -0.001 0.000 0.251 217 T C 0.612 175.286 174.700 -0.044 0.000 1.040 217 T CA 0.564 62.644 62.100 -0.033 0.000 0.985 217 T CB -0.221 68.629 68.868 -0.031 0.000 1.011 217 T HN 0.595 nan 8.240 nan 0.000 0.509 218 D N 1.347 121.716 120.400 -0.051 0.000 2.361 218 D HA 0.279 4.919 4.640 -0.001 0.000 0.239 218 D C 1.467 177.723 176.300 -0.073 0.000 1.200 218 D CA 0.076 54.033 54.000 -0.072 0.000 0.915 218 D CB 1.431 42.187 40.800 -0.074 0.000 1.170 218 D HN 0.127 nan 8.370 nan 0.000 0.444 219 A N 1.670 124.426 122.820 -0.106 0.000 1.908 219 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 219 A C 2.385 179.939 177.584 -0.049 0.000 1.181 219 A CA 1.164 53.147 52.037 -0.089 0.000 0.627 219 A CB -0.735 18.175 19.000 -0.150 0.000 0.818 219 A HN 0.688 nan 8.150 nan 0.000 0.445 220 I N -0.462 120.078 120.570 -0.050 0.000 2.252 220 I HA -0.208 3.962 4.170 -0.001 0.000 0.245 220 I C 2.646 178.753 176.117 -0.015 0.000 1.102 220 I CA 1.386 62.676 61.300 -0.016 0.000 1.385 220 I CB -0.306 37.689 38.000 -0.009 0.000 1.064 220 I HN 0.232 nan 8.210 nan 0.000 0.414 221 S N 0.835 116.519 115.700 -0.026 0.000 2.368 221 S HA -0.132 4.338 4.470 -0.001 0.000 0.225 221 S C 1.941 176.531 174.600 -0.017 0.000 1.030 221 S CA 1.222 59.409 58.200 -0.022 0.000 0.999 221 S CB -0.224 62.959 63.200 -0.027 0.000 0.844 221 S HN 0.211 nan 8.310 nan 0.000 0.459 222 I N 1.245 121.804 120.570 -0.019 0.000 2.226 222 I HA -0.117 4.053 4.170 -0.001 0.000 0.245 222 I C 2.230 178.346 176.117 -0.003 0.000 1.100 222 I CA 0.863 62.154 61.300 -0.014 0.000 1.374 222 I CB -0.869 37.120 38.000 -0.017 0.000 1.057 222 I HN 0.095 nan 8.210 nan 0.000 0.413 223 V N 0.641 120.558 119.914 0.005 0.000 2.237 223 V HA -0.283 3.837 4.120 -0.001 0.000 0.245 223 V C 2.653 178.759 176.094 0.021 0.000 1.046 223 V CA 1.933 64.246 62.300 0.022 0.000 1.007 223 V CB -1.312 30.531 31.823 0.033 0.000 0.638 223 V HN 0.492 nan 8.190 nan 0.000 0.445 224 A N -0.012 122.814 122.820 0.011 0.000 2.024 224 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 224 A C 1.832 179.417 177.584 0.002 0.000 1.164 224 A CA 1.892 53.933 52.037 0.007 0.000 0.643 224 A CB -0.467 18.532 19.000 -0.003 0.000 0.806 224 A HN 0.641 nan 8.150 nan 0.000 0.451 225 N N -0.422 118.276 118.700 -0.003 0.000 2.203 225 N HA 0.105 4.845 4.740 -0.001 0.000 0.207 225 N C 0.833 176.337 175.510 -0.009 0.000 1.130 225 N CA 0.606 53.652 53.050 -0.008 0.000 0.861 225 N CB 0.493 38.973 38.487 -0.012 0.000 1.005 225 N HN 0.408 nan 8.380 nan 0.000 0.507 226 G N 0.304 109.101 108.800 -0.005 0.000 2.621 226 G HA2 0.326 4.286 3.960 -0.001 0.000 0.271 226 G HA3 0.326 4.286 3.960 -0.001 0.000 0.271 226 G C -0.273 174.612 174.900 -0.024 0.000 1.236 226 G CA -0.152 44.940 45.100 -0.013 0.000 0.958 226 G HN 0.089 nan 8.290 nan 0.000 0.512 227 Q N -1.631 118.144 119.800 -0.043 0.000 2.397 227 Q HA 0.492 4.832 4.340 -0.001 0.000 0.275 227 Q C -1.003 174.929 176.000 -0.114 0.000 1.090 227 Q CA -0.953 54.810 55.803 -0.067 0.000 0.809 227 Q CB 2.883 31.587 28.738 -0.057 0.000 1.362 227 Q HN 0.517 nan 8.270 nan 0.000 0.431 228 V N -0.200 119.611 119.914 -0.172 0.000 2.304 228 V HA 0.468 4.588 4.120 -0.001 0.000 0.278 228 V C -0.566 175.395 176.094 -0.221 0.000 1.018 228 V CA -0.928 61.198 62.300 -0.290 0.000 0.814 228 V CB 0.726 32.190 31.823 -0.599 0.000 1.021 228 V HN 0.852 nan 8.190 nan 0.000 0.440 229 N N 3.876 122.477 118.700 -0.163 0.000 2.708 229 N HA -0.140 4.600 4.740 -0.001 0.000 0.255 229 N C 1.281 176.738 175.510 -0.089 0.000 1.046 229 N CA 1.825 54.806 53.050 -0.115 0.000 0.715 229 N CB -1.210 37.205 38.487 -0.120 0.000 0.895 229 N HN 1.978 nan 8.380 nan 0.000 0.545 230 G N -1.243 107.512 108.800 -0.075 0.000 2.189 230 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.267 230 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.267 230 G C 0.113 174.980 174.900 -0.054 0.000 0.975 230 G CA 0.718 45.784 45.100 -0.056 0.000 0.644 230 G HN 0.664 nan 8.290 nan 0.000 0.537 231 R N 0.797 121.255 120.500 -0.070 0.000 2.562 231 R HA 0.489 4.829 4.340 -0.001 0.000 0.298 231 R C -2.700 173.565 176.300 -0.059 0.000 0.961 231 R CA -2.149 53.916 56.100 -0.059 0.000 0.881 231 R CB 1.885 32.148 30.300 -0.062 0.000 1.159 231 R HN 0.100 nan 8.270 nan 0.000 0.450 232 P HA 0.045 nan 4.420 nan 0.000 0.267 232 P C 0.271 177.562 177.300 -0.014 0.000 1.209 232 P CA -0.021 63.064 63.100 -0.025 0.000 0.763 232 P CB 0.740 32.431 31.700 -0.016 0.000 0.816 233 I N 3.466 124.034 120.570 -0.005 0.000 2.754 233 I HA 0.047 4.217 4.170 -0.001 0.000 0.285 233 I C 0.957 177.098 176.117 0.039 0.000 1.166 233 I CA 0.127 61.449 61.300 0.036 0.000 1.417 233 I CB 0.963 38.998 38.000 0.059 0.000 1.382 233 I HN 0.423 nan 8.210 nan 0.000 0.588 234 T N 2.198 116.787 114.554 0.059 0.000 2.847 234 T HA 0.221 4.570 4.350 -0.001 0.000 0.279 234 T C 1.014 175.725 174.700 0.019 0.000 0.984 234 T CA -0.505 61.614 62.100 0.032 0.000 0.988 234 T CB 1.560 70.448 68.868 0.033 0.000 1.040 234 T HN 0.646 nan 8.240 nan 0.000 0.528 235 S N 0.276 115.975 115.700 -0.001 0.000 2.368 235 S HA -0.125 4.345 4.470 -0.001 0.000 0.225 235 S C 1.697 176.273 174.600 -0.040 0.000 1.030 235 S CA 1.628 59.818 58.200 -0.018 0.000 0.999 235 S CB -0.674 62.512 63.200 -0.024 0.000 0.844 235 S HN 0.978 nan 8.310 nan 0.000 0.459 236 D N 0.902 121.274 120.400 -0.046 0.000 2.117 236 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 236 D C 1.905 178.153 176.300 -0.086 0.000 0.987 236 D CA 1.294 55.241 54.000 -0.088 0.000 0.829 236 D CB -0.075 40.685 40.800 -0.067 0.000 0.961 236 D HN 0.450 nan 8.370 nan 0.000 0.460 237 E N -0.149 120.040 120.200 -0.018 0.000 2.077 237 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 237 E C 2.187 178.800 176.600 0.022 0.000 0.989 237 E CA 0.922 57.331 56.400 0.015 0.000 0.800 237 E CB -0.189 29.604 29.700 0.153 0.000 0.746 237 E HN 0.397 nan 8.360 nan 0.000 0.452 238 A N 1.769 124.606 122.820 0.027 0.000 1.902 238 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 238 A C 2.072 179.656 177.584 -0.000 0.000 1.181 238 A CA 1.774 53.828 52.037 0.028 0.000 0.623 238 A CB -0.418 18.593 19.000 0.018 0.000 0.818 238 A HN 0.103 nan 8.150 nan 0.000 0.443 239 K N -0.394 119.972 120.400 -0.057 0.000 2.057 239 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 239 K C 2.166 178.721 176.600 -0.074 0.000 1.049 239 K CA 1.423 57.647 56.287 -0.105 0.000 0.931 239 K CB -0.178 32.160 32.500 -0.270 0.000 0.714 239 K HN 0.426 nan 8.250 nan 0.000 0.440 240 R N -0.001 120.439 120.500 -0.100 0.000 2.148 240 R HA -0.045 4.295 4.340 -0.001 0.000 0.227 240 R C 2.337 178.701 176.300 0.107 0.000 1.103 240 R CA 1.488 57.642 56.100 0.090 0.000 0.983 240 R CB -0.143 30.166 30.300 0.014 0.000 0.874 240 R HN 0.351 nan 8.270 nan 0.000 0.451 241 M N -0.441 119.174 119.600 0.026 0.000 2.248 241 M HA -0.093 4.387 4.480 -0.001 0.000 0.265 241 M C 1.819 178.100 176.300 -0.031 0.000 1.079 241 M CA 1.365 56.669 55.300 0.005 0.000 1.150 241 M CB 0.115 32.751 32.600 0.059 0.000 1.366 241 M HN 0.189 nan 8.290 nan 0.000 0.433 242 C N 0.738 120.046 119.300 0.013 0.000 2.425 242 C HA -0.035 4.425 4.460 -0.001 0.000 0.277 242 C C 2.746 177.722 174.990 -0.024 0.000 1.280 242 C CA 1.032 60.071 59.018 0.035 0.000 1.744 242 C CB -1.868 25.918 27.740 0.077 0.000 1.989 242 C HN 0.811 nan 8.230 nan 0.000 0.491 243 G N 0.419 109.190 108.800 -0.050 0.000 2.418 243 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.217 243 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.217 243 G C 1.515 175.899 174.900 -0.859 0.000 1.158 243 G CA 1.021 45.981 45.100 -0.233 0.000 0.771 243 G HN 0.472 nan 8.290 nan 0.000 0.545 244 L N 0.584 121.135 121.223 -1.120 0.000 2.017 244 L HA 0.095 4.435 4.340 -0.001 0.000 0.208 244 L C 2.700 179.320 176.870 -0.416 0.000 1.073 244 L CA 1.376 55.624 54.840 -0.986 0.000 0.745 244 L CB -0.541 41.208 42.059 -0.517 0.000 0.894 244 L HN 0.212 nan 8.230 nan 0.000 0.432 245 L N -1.249 119.842 121.223 -0.220 0.000 2.079 245 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 245 L C 2.537 179.247 176.870 -0.268 0.000 1.081 245 L CA 0.802 55.603 54.840 -0.064 0.000 0.752 245 L CB -0.729 41.438 42.059 0.180 0.000 0.896 245 L HN 0.327 nan 8.230 nan 0.000 0.433 246 L N -0.596 120.504 121.223 -0.206 0.000 2.017 246 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 246 L C 2.586 179.202 176.870 -0.425 0.000 1.073 246 L CA 1.556 56.208 54.840 -0.314 0.000 0.745 246 L CB -0.898 41.109 42.059 -0.087 0.000 0.894 246 L HN 0.123 nan 8.230 nan 0.000 0.432 247 V N -0.036 119.692 119.914 -0.310 0.000 2.343 247 V HA -0.184 3.936 4.120 -0.001 0.000 0.247 247 V C 2.657 178.630 176.094 -0.201 0.000 1.051 247 V CA 1.720 63.906 62.300 -0.190 0.000 1.036 247 V CB -1.169 30.623 31.823 -0.051 0.000 0.654 247 V HN 0.547 nan 8.190 nan 0.000 0.451 248 G N 0.043 108.696 108.800 -0.244 0.000 2.418 248 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.217 248 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.217 248 G C 1.595 176.305 174.900 -0.317 0.000 1.158 248 G CA 0.895 45.877 45.100 -0.195 0.000 0.771 248 G HN 0.585 nan 8.290 nan 0.000 0.545 249 G N 0.177 108.559 108.800 -0.696 0.000 2.448 249 G HA2 0.058 4.018 3.960 -0.001 0.000 0.218 249 G HA3 0.058 4.018 3.960 -0.001 0.000 0.218 249 G C 1.479 176.095 174.900 -0.473 0.000 1.135 249 G CA 0.500 45.080 45.100 -0.866 0.000 0.784 249 G HN 0.338 nan 8.290 nan 0.000 0.543 250 L N -0.403 120.581 121.223 -0.397 0.000 2.554 250 L HA 0.362 4.701 4.340 -0.001 0.000 0.225 250 L C 0.704 177.503 176.870 -0.118 0.000 1.104 250 L CA 0.685 55.402 54.840 -0.205 0.000 0.866 250 L CB 0.683 42.634 42.059 -0.180 0.000 1.047 250 L HN 0.055 nan 8.230 nan 0.000 0.468 251 D N -2.096 118.243 120.400 -0.101 0.000 2.837 251 D HA 0.121 4.760 4.640 -0.001 0.000 0.340 251 D C 1.070 177.374 176.300 0.006 0.000 1.451 251 D CA 0.802 54.782 54.000 -0.034 0.000 0.798 251 D CB 0.503 41.295 40.800 -0.014 0.000 1.169 251 D HN 0.233 nan 8.370 nan 0.000 0.449 252 T N -4.317 110.241 114.554 0.007 0.000 3.447 252 T HA 0.072 4.421 4.350 -0.001 0.000 0.218 252 T C 1.819 176.585 174.700 0.110 0.000 0.972 252 T CA 0.553 62.686 62.100 0.055 0.000 1.264 252 T CB -0.523 68.369 68.868 0.041 0.000 1.284 252 T HN -0.163 nan 8.240 nan 0.000 0.361 253 V N 2.459 122.436 119.914 0.105 0.000 2.392 253 V HA -0.146 3.974 4.120 -0.001 0.000 0.249 253 V C 2.929 179.136 176.094 0.189 0.000 1.059 253 V CA 1.617 64.027 62.300 0.183 0.000 1.051 253 V CB -1.059 30.847 31.823 0.138 0.000 0.658 253 V HN 0.428 nan 8.190 nan 0.000 0.455 254 V N 0.956 120.926 119.914 0.093 0.000 2.370 254 V HA -0.303 3.817 4.120 -0.001 0.000 0.252 254 V C 2.279 178.407 176.094 0.057 0.000 1.068 254 V CA 2.398 64.733 62.300 0.059 0.000 1.061 254 V CB -0.747 31.075 31.823 -0.001 0.000 0.656 254 V HN 0.647 nan 8.190 nan 0.000 0.455 255 N N -0.946 117.791 118.700 0.061 0.000 2.251 255 N HA -0.058 4.682 4.740 -0.001 0.000 0.181 255 N C 1.764 177.272 175.510 -0.004 0.000 1.019 255 N CA 1.206 54.241 53.050 -0.026 0.000 0.862 255 N CB -0.321 38.177 38.487 0.019 0.000 0.992 255 N HN 0.526 nan 8.380 nan 0.000 0.429 256 F N 2.423 122.427 119.950 0.091 0.000 2.171 256 F HA -0.038 4.488 4.527 -0.002 0.000 0.300 256 F C 2.096 177.971 175.800 0.124 0.000 1.090 256 F CA 0.904 59.020 58.000 0.194 0.000 1.293 256 F CB -0.133 38.951 39.000 0.141 0.000 1.013 256 F HN -0.090 nan 8.300 nan 0.000 0.486 257 L N -0.727 120.578 121.223 0.137 0.000 2.079 257 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 257 L C 2.489 179.340 176.870 -0.032 0.000 1.081 257 L CA 1.439 56.351 54.840 0.120 0.000 0.752 257 L CB -0.870 41.426 42.059 0.395 0.000 0.896 257 L HN 0.090 nan 8.230 nan 0.000 0.433 258 S N -0.650 115.023 115.700 -0.045 0.000 2.387 258 S HA -0.079 4.391 4.470 -0.001 0.000 0.226 258 S C 1.737 176.090 174.600 -0.413 0.000 1.026 258 S CA 1.005 59.103 58.200 -0.170 0.000 0.972 258 S CB -0.235 62.860 63.200 -0.176 0.000 0.814 258 S HN 0.219 nan 8.310 nan 0.000 0.477 259 F N 2.135 121.820 119.950 -0.442 0.000 2.146 259 F HA -0.046 4.482 4.527 0.001 0.000 0.298 259 F C 2.744 177.965 175.800 -0.966 0.000 1.096 259 F CA 0.740 58.333 58.000 -0.679 0.000 1.275 259 F CB -0.971 37.621 39.000 -0.680 0.000 1.008 259 F HN 0.093 nan 8.300 nan 0.000 0.480 260 S N -0.435 114.827 115.700 -0.731 0.000 2.368 260 S HA -0.155 4.314 4.470 -0.001 0.000 0.224 260 S C 2.101 176.473 174.600 -0.379 0.000 1.029 260 S CA 1.102 58.939 58.200 -0.605 0.000 0.988 260 S CB -0.211 62.668 63.200 -0.535 0.000 0.838 260 S HN 0.177 nan 8.310 nan 0.000 0.462 261 M N 1.212 120.511 119.600 -0.502 0.000 2.254 261 M HA 0.025 4.505 4.480 -0.001 0.000 0.265 261 M C 2.155 178.236 176.300 -0.366 0.000 1.066 261 M CA 1.035 55.977 55.300 -0.596 0.000 1.123 261 M CB -1.176 30.609 32.600 -1.359 0.000 1.388 261 M HN 0.431 nan 8.290 nan 0.000 0.425 262 E N -0.018 119.984 120.200 -0.330 0.000 2.051 262 E HA -0.238 4.112 4.350 -0.001 0.000 0.192 262 E C 2.024 178.554 176.600 -0.116 0.000 0.991 262 E CA 1.276 57.575 56.400 -0.168 0.000 0.799 262 E CB -0.224 29.427 29.700 -0.083 0.000 0.748 262 E HN 0.388 nan 8.360 nan 0.000 0.449 263 F N 1.348 121.117 119.950 -0.301 0.000 2.095 263 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 263 F C 2.025 177.733 175.800 -0.153 0.000 1.104 263 F CA 1.463 59.336 58.000 -0.212 0.000 1.232 263 F CB -0.150 38.677 39.000 -0.289 0.000 0.987 263 F HN 0.003 nan 8.300 nan 0.000 0.475 264 L N 0.144 121.255 121.223 -0.187 0.000 2.083 264 L HA -0.217 4.123 4.340 -0.001 0.000 0.209 264 L C 2.807 179.420 176.870 -0.428 0.000 1.083 264 L CA 1.145 55.836 54.840 -0.249 0.000 0.752 264 L CB -1.238 40.845 42.059 0.040 0.000 0.899 264 L HN 0.289 nan 8.230 nan 0.000 0.433 265 A N -0.116 122.542 122.820 -0.269 0.000 2.019 265 A HA -0.182 4.138 4.320 -0.001 0.000 0.219 265 A C 2.188 179.599 177.584 -0.287 0.000 1.164 265 A CA 1.453 53.308 52.037 -0.304 0.000 0.644 265 A CB -0.248 18.771 19.000 0.033 0.000 0.805 265 A HN 0.362 nan 8.150 nan 0.000 0.449 266 K N -0.943 119.276 120.400 -0.301 0.000 2.367 266 K HA 0.141 4.460 4.320 -0.001 0.000 0.194 266 K C 0.142 176.536 176.600 -0.343 0.000 1.027 266 K CA 0.404 56.533 56.287 -0.262 0.000 1.075 266 K CB 0.363 32.747 32.500 -0.193 0.000 0.845 266 K HN 0.228 nan 8.250 nan 0.000 0.529 267 S N 1.100 116.510 115.700 -0.483 0.000 2.539 267 S HA 0.273 4.743 4.470 -0.001 0.000 0.235 267 S C -2.368 172.092 174.600 -0.233 0.000 1.326 267 S CA -1.723 56.243 58.200 -0.390 0.000 1.183 267 S CB 0.860 63.643 63.200 -0.696 0.000 1.073 267 S HN -0.136 nan 8.310 nan 0.000 0.480 268 P HA -0.120 nan 4.420 nan 0.000 0.216 268 P C 1.073 178.329 177.300 -0.073 0.000 1.150 268 P CA 1.160 64.178 63.100 -0.136 0.000 0.843 268 P CB 0.220 31.857 31.700 -0.105 0.000 0.787 269 E N -1.632 118.536 120.200 -0.053 0.000 2.110 269 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 269 E C 1.860 178.403 176.600 -0.096 0.000 0.988 269 E CA 1.108 57.461 56.400 -0.079 0.000 0.804 269 E CB -0.509 29.119 29.700 -0.119 0.000 0.745 269 E HN 0.482 nan 8.360 nan 0.000 0.458 270 H N -0.037 119.003 119.070 -0.049 0.000 2.428 270 H HA 0.063 4.618 4.556 -0.002 0.000 0.296 270 H C 2.002 177.441 175.328 0.184 0.000 1.062 270 H CA 0.909 57.003 56.048 0.077 0.000 1.350 270 H CB 0.173 29.970 29.762 0.058 0.000 1.403 270 H HN 0.007 nan 8.280 nan 0.000 0.533 271 R N 0.278 120.859 120.500 0.136 0.000 2.066 271 R HA -0.146 4.193 4.340 -0.001 0.000 0.232 271 R C 2.241 178.597 176.300 0.092 0.000 1.131 271 R CA 1.317 57.471 56.100 0.089 0.000 0.955 271 R CB -0.223 30.033 30.300 -0.073 0.000 0.851 271 R HN 0.433 nan 8.270 nan 0.000 0.432 272 Q N 1.292 121.120 119.800 0.047 0.000 2.061 272 Q HA -0.258 4.081 4.340 -0.001 0.000 0.204 272 Q C 2.035 178.074 176.000 0.066 0.000 0.984 272 Q CA 1.931 57.757 55.803 0.038 0.000 0.846 272 Q CB -0.022 28.721 28.738 0.007 0.000 0.902 272 Q HN 0.363 nan 8.270 nan 0.000 0.421 273 E N -0.056 120.197 120.200 0.089 0.000 2.070 273 E HA -0.224 4.126 4.350 -0.001 0.000 0.197 273 E C 2.016 178.701 176.600 0.142 0.000 1.004 273 E CA 1.570 58.046 56.400 0.126 0.000 0.805 273 E CB -0.157 29.658 29.700 0.192 0.000 0.744 273 E HN 0.473 nan 8.360 nan 0.000 0.451 274 L N 0.278 121.603 121.223 0.169 0.000 2.240 274 L HA -0.055 4.285 4.340 -0.001 0.000 0.211 274 L C 2.428 179.344 176.870 0.076 0.000 1.106 274 L CA 0.380 55.281 54.840 0.101 0.000 0.793 274 L CB -0.189 41.924 42.059 0.089 0.000 0.927 274 L HN 0.236 nan 8.230 nan 0.000 0.446 275 I N -0.168 120.450 120.570 0.081 0.000 2.353 275 I HA -0.206 3.963 4.170 -0.001 0.000 0.248 275 I C 2.327 178.472 176.117 0.046 0.000 1.119 275 I CA 1.163 62.500 61.300 0.061 0.000 1.417 275 I CB -0.064 37.971 38.000 0.059 0.000 1.078 275 I HN 0.267 nan 8.210 nan 0.000 0.421 276 E N 0.738 120.966 120.200 0.048 0.000 2.107 276 E HA -0.039 4.311 4.350 -0.001 0.000 0.191 276 E C 0.610 177.233 176.600 0.038 0.000 0.982 276 E CA 0.712 57.135 56.400 0.038 0.000 0.809 276 E CB 0.186 29.908 29.700 0.037 0.000 0.756 276 E HN 0.374 nan 8.360 nan 0.000 0.459 277 R N 0.562 121.089 120.500 0.046 0.000 2.585 277 R HA 0.172 4.511 4.340 -0.001 0.000 0.278 277 R C -2.298 174.022 176.300 0.033 0.000 1.663 277 R CA -1.342 54.781 56.100 0.039 0.000 1.592 277 R CB 1.142 31.469 30.300 0.045 0.000 1.200 277 R HN -0.007 nan 8.270 nan 0.000 0.611 278 P HA -0.249 nan 4.420 nan 0.000 0.218 278 P C 1.196 178.505 177.300 0.015 0.000 1.146 278 P CA 1.120 64.234 63.100 0.022 0.000 0.813 278 P CB 0.274 31.989 31.700 0.024 0.000 0.778 279 E N 0.459 120.670 120.200 0.018 0.000 2.409 279 E HA -0.171 4.179 4.350 -0.001 0.000 0.198 279 E C 1.380 177.987 176.600 0.011 0.000 1.024 279 E CA 0.932 57.342 56.400 0.017 0.000 0.861 279 E CB -0.523 29.189 29.700 0.021 0.000 0.788 279 E HN 0.317 nan 8.360 nan 0.000 0.521 280 R N 0.204 120.706 120.500 0.004 0.000 2.310 280 R HA 0.270 4.610 4.340 -0.001 0.000 0.202 280 R C 2.288 178.542 176.300 -0.077 0.000 0.933 280 R CA 0.085 56.177 56.100 -0.013 0.000 1.054 280 R CB -0.093 30.213 30.300 0.011 0.000 0.985 280 R HN 0.193 nan 8.270 nan 0.000 0.489 281 I N 1.596 122.127 120.570 -0.065 0.000 2.208 281 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 281 I C -0.801 175.274 176.117 -0.069 0.000 1.097 281 I CA 1.463 62.707 61.300 -0.094 0.000 1.363 281 I CB -0.940 37.043 38.000 -0.030 0.000 1.051 281 I HN 0.042 nan 8.210 nan 0.000 0.413 282 P HA -0.151 nan 4.420 nan 0.000 0.216 282 P C 1.488 178.796 177.300 0.013 0.000 1.153 282 P CA 1.729 64.840 63.100 0.018 0.000 0.848 282 P CB 0.005 31.725 31.700 0.034 0.000 0.787 283 A N -0.072 122.745 122.820 -0.004 0.000 1.930 283 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 283 A C 2.297 179.870 177.584 -0.018 0.000 1.175 283 A CA 1.922 53.970 52.037 0.019 0.000 0.627 283 A CB -1.580 17.442 19.000 0.037 0.000 0.815 283 A HN 0.177 nan 8.150 nan 0.000 0.443 284 A N -0.888 121.809 122.820 -0.205 0.000 1.902 284 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 284 A C 2.403 179.898 177.584 -0.149 0.000 1.181 284 A CA 1.699 53.411 52.037 -0.542 0.000 0.623 284 A CB -1.486 16.756 19.000 -1.264 0.000 0.818 284 A HN 0.901 nan 8.150 nan 0.000 0.443 285 C N -0.559 118.710 119.300 -0.051 0.000 2.413 285 C HA -0.150 4.310 4.460 -0.001 0.000 0.276 285 C C 2.582 177.645 174.990 0.122 0.000 1.248 285 C CA 1.926 61.001 59.018 0.094 0.000 1.742 285 C CB -1.087 26.713 27.740 0.101 0.000 2.017 285 C HN 0.687 nan 8.230 nan 0.000 0.481 286 E N 0.683 120.940 120.200 0.096 0.000 2.077 286 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 286 E C 2.063 178.723 176.600 0.101 0.000 0.989 286 E CA 1.885 58.350 56.400 0.109 0.000 0.800 286 E CB -0.405 29.382 29.700 0.145 0.000 0.746 286 E HN 0.774 nan 8.360 nan 0.000 0.452 287 E N 0.040 120.323 120.200 0.138 0.000 2.110 287 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 287 E C 1.922 178.586 176.600 0.107 0.000 0.988 287 E CA 1.197 57.681 56.400 0.140 0.000 0.804 287 E CB -0.333 29.524 29.700 0.262 0.000 0.745 287 E HN 0.355 nan 8.360 nan 0.000 0.458 288 L N -0.112 121.243 121.223 0.220 0.000 2.093 288 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 288 L C 2.481 179.616 176.870 0.443 0.000 1.085 288 L CA 0.744 55.792 54.840 0.347 0.000 0.755 288 L CB -0.348 41.964 42.059 0.421 0.000 0.904 288 L HN 0.208 nan 8.230 nan 0.000 0.435 289 L N -0.509 120.845 121.223 0.218 0.000 2.191 289 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 289 L C 2.821 179.487 176.870 -0.341 0.000 1.103 289 L CA 1.049 55.746 54.840 -0.239 0.000 0.769 289 L CB -0.410 41.280 42.059 -0.614 0.000 0.908 289 L HN 0.279 nan 8.230 nan 0.000 0.438 290 R N 0.287 120.639 120.500 -0.247 0.000 2.052 290 R HA -0.169 4.171 4.340 -0.001 0.000 0.226 290 R C 2.479 178.627 176.300 -0.253 0.000 1.145 290 R CA 1.203 57.165 56.100 -0.229 0.000 0.952 290 R CB -0.125 30.138 30.300 -0.060 0.000 0.847 290 R HN 0.038 nan 8.270 nan 0.000 0.431 291 R N 0.157 120.465 120.500 -0.320 0.000 2.105 291 R HA -0.101 4.238 4.340 -0.001 0.000 0.239 291 R C 0.638 176.415 176.300 -0.872 0.000 1.135 291 R CA 1.679 57.392 56.100 -0.646 0.000 0.967 291 R CB -0.328 29.413 30.300 -0.932 0.000 0.861 291 R HN 0.294 nan 8.270 nan 0.000 0.442 292 F N 0.244 120.081 119.950 -0.189 0.000 2.923 292 F HA 0.400 4.928 4.527 0.002 0.000 0.314 292 F C 0.454 176.114 175.800 -0.234 0.000 1.196 292 F CA -0.541 57.280 58.000 -0.298 0.000 1.320 292 F CB 0.234 39.044 39.000 -0.317 0.000 0.953 292 F HN -0.120 nan 8.300 nan 0.000 0.505 293 S N 1.752 117.341 115.700 -0.185 0.000 2.559 293 S HA 0.183 4.653 4.470 -0.001 0.000 0.282 293 S C 0.878 175.307 174.600 -0.285 0.000 1.336 293 S CA 0.018 58.066 58.200 -0.254 0.000 1.037 293 S CB 0.475 63.490 63.200 -0.309 0.000 0.853 293 S HN 0.572 nan 8.310 nan 0.000 0.523 294 L N 1.839 122.921 121.223 -0.236 0.000 3.520 294 L HA 0.572 4.912 4.340 -0.001 0.000 0.323 294 L C -0.869 175.867 176.870 -0.223 0.000 1.246 294 L CA -0.571 54.143 54.840 -0.210 0.000 1.085 294 L CB 0.197 42.296 42.059 0.068 0.000 1.477 294 L HN 0.324 nan 8.230 nan 0.000 0.624 295 V N 1.630 121.392 119.914 -0.253 0.000 2.630 295 V HA 0.882 5.002 4.120 -0.001 0.000 0.305 295 V C 0.155 176.071 176.094 -0.297 0.000 1.046 295 V CA 0.005 62.173 62.300 -0.219 0.000 0.934 295 V CB 1.609 33.353 31.823 -0.132 0.000 1.003 295 V HN 0.330 nan 8.190 nan 0.000 0.451 296 A N 3.055 125.717 122.820 -0.262 0.000 2.667 296 A HA 0.660 4.980 4.320 -0.001 0.000 0.291 296 A C -0.865 176.623 177.584 -0.160 0.000 1.123 296 A CA -0.611 51.292 52.037 -0.223 0.000 0.832 296 A CB 0.683 19.449 19.000 -0.390 0.000 1.396 296 A HN 0.853 nan 8.150 nan 0.000 0.401 297 D N 1.323 121.675 120.400 -0.080 0.000 2.784 297 D HA 0.864 5.504 4.640 -0.001 0.000 0.256 297 D C 0.455 176.767 176.300 0.019 0.000 1.129 297 D CA 0.081 54.017 54.000 -0.105 0.000 1.102 297 D CB 1.274 42.042 40.800 -0.053 0.000 1.330 297 D HN 0.944 nan 8.370 nan 0.000 0.626 298 G N -1.649 107.170 108.800 0.032 0.000 2.677 298 G HA2 0.544 4.504 3.960 -0.001 0.000 0.283 298 G HA3 0.544 4.504 3.960 -0.001 0.000 0.283 298 G C -1.030 173.880 174.900 0.017 0.000 1.221 298 G CA -0.682 44.423 45.100 0.008 0.000 0.851 298 G HN 0.458 nan 8.290 nan 0.000 0.504 299 R N -1.276 119.217 120.500 -0.012 0.000 2.885 299 R HA 0.674 5.014 4.340 -0.001 0.000 0.260 299 R C -1.426 174.941 176.300 0.111 0.000 1.107 299 R CA -0.756 55.379 56.100 0.058 0.000 0.978 299 R CB 1.596 31.955 30.300 0.099 0.000 1.227 299 R HN 0.572 nan 8.270 nan 0.000 0.473 300 I N 1.359 122.016 120.570 0.145 0.000 2.582 300 I HA 0.262 4.431 4.170 -0.001 0.000 0.292 300 I C -0.735 175.481 176.117 0.165 0.000 1.066 300 I CA -1.041 60.354 61.300 0.158 0.000 1.053 300 I CB 1.476 39.538 38.000 0.104 0.000 1.241 300 I HN 0.220 nan 8.210 nan 0.000 0.421 301 L N 6.402 127.734 121.223 0.181 0.000 2.462 301 L HA 0.096 4.436 4.340 -0.001 0.000 0.272 301 L C 1.586 178.481 176.870 0.042 0.000 1.166 301 L CA 0.527 55.416 54.840 0.083 0.000 0.880 301 L CB 0.915 43.053 42.059 0.131 0.000 1.142 301 L HN 0.787 nan 8.230 nan 0.000 0.473 302 T N -1.582 112.957 114.554 -0.025 0.000 3.088 302 T HA 0.075 4.425 4.350 -0.001 0.000 0.259 302 T C 0.706 175.401 174.700 -0.008 0.000 1.122 302 T CA 0.433 62.522 62.100 -0.019 0.000 1.095 302 T CB 0.094 68.923 68.868 -0.065 0.000 0.930 302 T HN 0.665 nan 8.240 nan 0.000 0.508 303 S N -0.423 115.283 115.700 0.009 0.000 2.627 303 S HA 0.343 4.813 4.470 -0.001 0.000 0.268 303 S C -2.171 172.468 174.600 0.065 0.000 1.130 303 S CA -1.192 57.028 58.200 0.034 0.000 0.819 303 S CB 0.666 63.883 63.200 0.028 0.000 1.100 303 S HN 0.067 nan 8.310 nan 0.000 0.465 304 D N 1.043 121.483 120.400 0.067 0.000 2.443 304 D HA 0.448 5.088 4.640 -0.001 0.000 0.239 304 D C -0.691 175.693 176.300 0.141 0.000 1.136 304 D CA 1.055 55.105 54.000 0.082 0.000 0.879 304 D CB 0.190 41.021 40.800 0.051 0.000 1.195 304 D HN 0.571 nan 8.370 nan 0.000 0.443 305 Y N 0.158 120.412 120.300 -0.077 0.000 2.474 305 Y HA 0.170 4.719 4.550 -0.001 0.000 0.326 305 Y C -1.302 174.537 175.900 -0.102 0.000 1.160 305 Y CA -0.996 57.000 58.100 -0.173 0.000 1.056 305 Y CB 1.336 39.543 38.460 -0.421 0.000 1.330 305 Y HN 0.314 nan 8.280 nan 0.000 0.447 306 E N 5.830 125.707 120.200 -0.538 0.000 2.081 306 E HA 0.320 4.670 4.350 -0.001 0.000 0.281 306 E C -1.875 174.294 176.600 -0.718 0.000 0.986 306 E CA -0.518 55.609 56.400 -0.456 0.000 0.796 306 E CB 0.504 30.052 29.700 -0.254 0.000 1.085 306 E HN 0.443 nan 8.360 nan 0.000 0.398 307 F N 4.607 124.182 119.950 -0.625 0.000 2.375 307 F HA 0.249 4.777 4.527 0.001 0.000 0.361 307 F C -0.599 175.157 175.800 -0.074 0.000 1.117 307 F CA -0.719 57.060 58.000 -0.369 0.000 1.037 307 F CB 0.325 39.261 39.000 -0.107 0.000 1.192 307 F HN 0.641 nan 8.300 nan 0.000 0.452 308 H N 3.483 122.212 119.070 -0.568 0.000 2.592 308 H HA -0.097 4.457 4.556 -0.002 0.000 0.323 308 H C 1.347 176.519 175.328 -0.260 0.000 1.117 308 H CA 0.798 56.576 56.048 -0.450 0.000 1.120 308 H CB -1.147 28.270 29.762 -0.573 0.000 1.561 308 H HN 1.086 nan 8.280 nan 0.000 0.409 309 G N -1.606 107.104 108.800 -0.150 0.000 2.175 309 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.265 309 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.265 309 G C 0.216 175.076 174.900 -0.067 0.000 0.979 309 G CA 0.384 45.429 45.100 -0.092 0.000 0.663 309 G HN 0.665 nan 8.290 nan 0.000 0.533 310 V N 0.998 120.848 119.914 -0.106 0.000 2.417 310 V HA 0.475 4.594 4.120 -0.001 0.000 0.291 310 V C 0.181 176.178 176.094 -0.161 0.000 1.024 310 V CA -1.081 61.139 62.300 -0.133 0.000 0.861 310 V CB 1.899 33.570 31.823 -0.253 0.000 0.985 310 V HN 0.240 nan 8.190 nan 0.000 0.436 311 Q N 4.507 124.267 119.800 -0.068 0.000 2.307 311 Q HA 0.419 4.759 4.340 -0.001 0.000 0.261 311 Q C -0.764 175.279 176.000 0.071 0.000 1.051 311 Q CA 0.179 55.984 55.803 0.003 0.000 0.911 311 Q CB 1.010 29.801 28.738 0.089 0.000 1.227 311 Q HN 0.590 nan 8.270 nan 0.000 0.418 312 L N 2.407 123.638 121.223 0.013 0.000 2.322 312 L HA 0.458 4.798 4.340 -0.001 0.000 0.279 312 L C 0.193 177.197 176.870 0.224 0.000 1.036 312 L CA -0.817 54.095 54.840 0.121 0.000 0.807 312 L CB 1.107 43.157 42.059 -0.014 0.000 1.226 312 L HN 0.213 nan 8.230 nan 0.000 0.433 313 K N 2.360 122.954 120.400 0.325 0.000 2.164 313 K HA 0.240 4.560 4.320 -0.001 0.000 0.258 313 K C -0.491 176.186 176.600 0.128 0.000 0.951 313 K CA -0.658 55.682 56.287 0.087 0.000 0.844 313 K CB 1.336 33.646 32.500 -0.318 0.000 1.099 313 K HN 0.310 nan 8.250 nan 0.000 0.435 314 K N 1.775 122.215 120.400 0.067 0.000 2.530 314 K HA -0.012 4.308 4.320 -0.001 0.000 0.280 314 K C 0.467 177.123 176.600 0.093 0.000 1.004 314 K CA 1.669 57.998 56.287 0.071 0.000 1.071 314 K CB -0.162 32.361 32.500 0.039 0.000 0.876 314 K HN 0.798 nan 8.250 nan 0.000 0.487 315 G N 3.168 112.039 108.800 0.118 0.000 2.234 315 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.235 315 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.235 315 G C -0.313 174.711 174.900 0.206 0.000 0.997 315 G CA 0.150 45.329 45.100 0.132 0.000 0.623 315 G HN 0.724 nan 8.290 nan 0.000 0.514 316 D N 1.410 121.988 120.400 0.297 0.000 2.399 316 D HA 0.437 5.076 4.640 -0.001 0.000 0.241 316 D C 0.798 177.337 176.300 0.398 0.000 1.133 316 D CA 0.515 54.793 54.000 0.465 0.000 0.890 316 D CB 0.542 41.792 40.800 0.750 0.000 1.201 316 D HN 0.478 nan 8.370 nan 0.000 0.432 317 Q N 0.785 120.804 119.800 0.365 0.000 2.245 317 Q HA 0.607 4.947 4.340 -0.001 0.000 0.256 317 Q C -0.479 175.702 176.000 0.302 0.000 0.942 317 Q CA -0.601 55.344 55.803 0.238 0.000 0.896 317 Q CB 2.499 31.301 28.738 0.108 0.000 1.272 317 Q HN 0.446 nan 8.270 nan 0.000 0.442 318 I N 3.244 123.941 120.570 0.212 0.000 2.500 318 I HA 0.218 4.388 4.170 -0.001 0.000 0.286 318 I C -1.571 174.561 176.117 0.025 0.000 1.063 318 I CA -1.030 60.394 61.300 0.207 0.000 1.062 318 I CB 1.120 39.224 38.000 0.173 0.000 1.223 318 I HN 0.502 nan 8.210 nan 0.000 0.435 319 L N 8.378 129.628 121.223 0.044 0.000 2.367 319 L HA 0.366 4.705 4.340 -0.001 0.000 0.275 319 L C -1.010 175.845 176.870 -0.025 0.000 1.129 319 L CA 0.405 55.230 54.840 -0.024 0.000 0.839 319 L CB 0.724 42.792 42.059 0.015 0.000 1.133 319 L HN 0.547 nan 8.230 nan 0.000 0.453 320 L N 7.948 129.127 121.223 -0.072 0.000 2.495 320 L HA 0.355 4.695 4.340 -0.001 0.000 0.248 320 L C -2.131 174.778 176.870 0.065 0.000 1.229 320 L CA -1.629 53.133 54.840 -0.130 0.000 0.942 320 L CB 0.915 42.629 42.059 -0.575 0.000 1.242 320 L HN 0.507 nan 8.230 nan 0.000 0.484 321 P HA -0.032 nan 4.420 nan 0.000 0.254 321 P C 0.093 177.375 177.300 -0.031 0.000 1.186 321 P CA 0.145 63.243 63.100 -0.002 0.000 0.868 321 P CB 1.046 32.786 31.700 0.067 0.000 0.856 322 Q N 2.769 122.551 119.800 -0.029 0.000 2.234 322 Q HA -0.170 4.170 4.340 -0.001 0.000 0.206 322 Q C 2.133 178.051 176.000 -0.136 0.000 0.980 322 Q CA 1.688 57.464 55.803 -0.045 0.000 0.869 322 Q CB -0.514 28.168 28.738 -0.092 0.000 0.912 322 Q HN 0.519 nan 8.270 nan 0.000 0.436 323 M N -0.338 119.114 119.600 -0.245 0.000 2.149 323 M HA -0.187 4.293 4.480 -0.001 0.000 0.261 323 M C 1.425 177.594 176.300 -0.217 0.000 1.064 323 M CA 1.498 56.613 55.300 -0.308 0.000 1.102 323 M CB 0.017 32.301 32.600 -0.526 0.000 1.369 323 M HN 0.296 nan 8.290 nan 0.000 0.408 324 L N -0.566 120.565 121.223 -0.153 0.000 2.156 324 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 324 L C 2.439 179.261 176.870 -0.081 0.000 1.095 324 L CA 0.862 55.647 54.840 -0.092 0.000 0.770 324 L CB -0.672 41.360 42.059 -0.045 0.000 0.914 324 L HN 0.316 nan 8.230 nan 0.000 0.439 325 S N 0.481 116.140 115.700 -0.068 0.000 2.372 325 S HA -0.203 4.267 4.470 -0.001 0.000 0.227 325 S C 1.934 176.503 174.600 -0.053 0.000 1.044 325 S CA 1.606 59.772 58.200 -0.057 0.000 1.050 325 S CB -0.705 62.467 63.200 -0.048 0.000 0.901 325 S HN 0.626 nan 8.310 nan 0.000 0.447 326 G N 0.437 109.208 108.800 -0.048 0.000 2.650 326 G HA2 0.081 4.041 3.960 -0.001 0.000 0.214 326 G HA3 0.081 4.041 3.960 -0.001 0.000 0.214 326 G C 1.085 175.939 174.900 -0.077 0.000 1.136 326 G CA 0.112 45.191 45.100 -0.035 0.000 0.789 326 G HN 0.457 nan 8.290 nan 0.000 0.536 327 L N 0.206 121.371 121.223 -0.097 0.000 2.567 327 L HA 0.180 4.520 4.340 -0.001 0.000 0.225 327 L C 0.476 177.300 176.870 -0.077 0.000 1.119 327 L CA -0.291 54.487 54.840 -0.104 0.000 0.871 327 L CB 0.155 42.144 42.059 -0.117 0.000 1.036 327 L HN 0.013 nan 8.230 nan 0.000 0.459 328 D N 1.490 121.849 120.400 -0.068 0.000 2.363 328 D HA -0.085 4.555 4.640 -0.001 0.000 0.263 328 D C 1.142 177.412 176.300 -0.050 0.000 1.258 328 D CA 0.387 54.350 54.000 -0.061 0.000 0.907 328 D CB 1.103 41.866 40.800 -0.061 0.000 1.107 328 D HN 0.145 nan 8.370 nan 0.000 0.495 329 E N 3.107 123.279 120.200 -0.047 0.000 2.219 329 E HA -0.226 4.124 4.350 -0.001 0.000 0.198 329 E C 1.322 177.903 176.600 -0.032 0.000 0.998 329 E CA 0.924 57.302 56.400 -0.037 0.000 0.818 329 E CB 0.289 29.968 29.700 -0.035 0.000 0.741 329 E HN 0.452 nan 8.360 nan 0.000 0.477 330 R N -0.276 120.203 120.500 -0.036 0.000 2.276 330 R HA -0.016 4.324 4.340 -0.001 0.000 0.203 330 R C 1.707 177.990 176.300 -0.029 0.000 1.017 330 R CA 0.780 56.861 56.100 -0.032 0.000 1.010 330 R CB 0.133 30.411 30.300 -0.036 0.000 0.900 330 R HN 0.209 nan 8.270 nan 0.000 0.469 331 E N -0.362 119.819 120.200 -0.032 0.000 2.330 331 E HA 0.123 4.473 4.350 -0.001 0.000 0.200 331 E C -0.229 176.358 176.600 -0.022 0.000 0.922 331 E CA 0.198 56.581 56.400 -0.030 0.000 0.935 331 E CB 0.623 30.300 29.700 -0.038 0.000 0.917 331 E HN 0.182 nan 8.360 nan 0.000 0.491 332 N N 0.421 119.107 118.700 -0.023 0.000 2.478 332 N HA 0.264 5.004 4.740 -0.001 0.000 0.291 332 N C -1.179 174.324 175.510 -0.012 0.000 1.090 332 N CA -0.192 52.849 53.050 -0.014 0.000 0.911 332 N CB 2.055 40.532 38.487 -0.018 0.000 1.546 332 N HN -0.032 nan 8.380 nan 0.000 0.500 333 A N 1.499 124.318 122.820 -0.002 0.000 2.498 333 A HA 0.485 4.805 4.320 -0.001 0.000 0.239 333 A C 1.025 178.616 177.584 0.010 0.000 1.068 333 A CA 0.526 52.563 52.037 0.000 0.000 0.766 333 A CB -0.146 18.857 19.000 0.004 0.000 1.003 333 A HN 1.238 nan 8.150 nan 0.000 0.497 334 A N 2.955 125.777 122.820 0.004 0.000 2.466 334 A HA -0.102 4.218 4.320 -0.001 0.000 0.295 334 A C -0.462 177.138 177.584 0.027 0.000 1.465 334 A CA 0.657 52.705 52.037 0.018 0.000 0.744 334 A CB -1.503 17.513 19.000 0.026 0.000 1.098 334 A HN 0.817 nan 8.150 nan 0.000 0.402 335 P HA -0.210 nan 4.420 nan 0.000 0.218 335 P C 1.271 178.517 177.300 -0.091 0.000 1.148 335 P CA 1.458 64.527 63.100 -0.052 0.000 0.822 335 P CB -0.085 31.578 31.700 -0.062 0.000 0.784 336 M N -1.540 118.023 119.600 -0.062 0.000 2.619 336 M HA 0.031 4.511 4.480 -0.001 0.000 0.251 336 M C 0.857 177.115 176.300 -0.069 0.000 1.106 336 M CA 0.316 55.559 55.300 -0.095 0.000 1.086 336 M CB -1.921 30.651 32.600 -0.047 0.000 1.465 336 M HN 0.057 nan 8.290 nan 0.000 0.506 337 H N 0.374 119.380 119.070 -0.107 0.000 2.580 337 H HA 0.388 4.943 4.556 -0.002 0.000 0.322 337 H C -0.990 174.264 175.328 -0.124 0.000 1.082 337 H CA -0.398 55.605 56.048 -0.076 0.000 1.383 337 H CB 0.874 30.618 29.762 -0.030 0.000 1.450 337 H HN -0.172 nan 8.280 nan 0.000 0.505 338 V N 5.967 125.455 119.914 -0.710 0.000 2.385 338 V HA 0.123 4.243 4.120 -0.001 0.000 0.269 338 V C -0.115 175.572 176.094 -0.679 0.000 1.043 338 V CA -0.216 61.686 62.300 -0.664 0.000 0.906 338 V CB 0.710 32.010 31.823 -0.873 0.000 0.995 338 V HN 0.819 nan 8.190 nan 0.000 0.467 339 D N 4.352 124.523 120.400 -0.381 0.000 2.469 339 D HA 0.339 4.979 4.640 -0.001 0.000 0.251 339 D C 0.462 176.796 176.300 0.058 0.000 1.173 339 D CA -0.573 53.325 54.000 -0.169 0.000 0.882 339 D CB 1.032 41.832 40.800 0.001 0.000 1.129 339 D HN 0.220 nan 8.370 nan 0.000 0.549 340 F N 1.464 121.462 119.950 0.079 0.000 2.408 340 F HA -0.059 4.467 4.527 -0.002 0.000 0.300 340 F C 2.365 178.202 175.800 0.061 0.000 1.090 340 F CA 0.759 58.808 58.000 0.081 0.000 1.427 340 F CB -0.700 38.366 39.000 0.110 0.000 1.070 340 F HN 0.377 nan 8.300 nan 0.000 0.549 341 S N -0.706 115.127 115.700 0.221 0.000 2.572 341 S HA 0.095 4.565 4.470 -0.001 0.000 0.228 341 S C 0.848 175.514 174.600 0.109 0.000 0.963 341 S CA -0.656 57.630 58.200 0.144 0.000 0.939 341 S CB -0.410 62.856 63.200 0.111 0.000 0.804 341 S HN 0.249 nan 8.310 nan 0.000 0.480 342 R N 1.748 122.315 120.500 0.113 0.000 2.486 342 R HA 0.011 4.351 4.340 -0.001 0.000 0.303 342 R C 1.073 177.416 176.300 0.072 0.000 0.958 342 R CA 0.359 56.509 56.100 0.083 0.000 1.077 342 R CB 0.236 30.582 30.300 0.076 0.000 0.921 342 R HN 0.493 nan 8.270 nan 0.000 0.406 343 Q N 2.870 122.703 119.800 0.056 0.000 2.079 343 Q HA -0.155 4.185 4.340 -0.001 0.000 0.200 343 Q C 0.354 176.377 176.000 0.039 0.000 0.974 343 Q CA 1.454 57.285 55.803 0.046 0.000 0.840 343 Q CB 0.107 28.867 28.738 0.037 0.000 0.898 343 Q HN 0.413 nan 8.270 nan 0.000 0.430 344 K N 1.003 121.423 120.400 0.033 0.000 2.592 344 K HA 0.245 4.564 4.320 -0.001 0.000 0.212 344 K C -1.437 175.176 176.600 0.021 0.000 1.013 344 K CA -0.263 56.037 56.287 0.022 0.000 1.034 344 K CB 1.230 33.737 32.500 0.012 0.000 1.292 344 K HN -0.149 nan 8.250 nan 0.000 0.521 345 V N 2.858 122.793 119.914 0.034 0.000 2.341 345 V HA 0.024 4.144 4.120 -0.001 0.000 0.248 345 V C 0.365 176.464 176.094 0.009 0.000 1.107 345 V CA -0.094 62.237 62.300 0.052 0.000 1.069 345 V CB 0.384 32.269 31.823 0.104 0.000 1.177 345 V HN 0.613 nan 8.190 nan 0.000 0.492 346 S N 4.949 120.644 115.700 -0.008 0.000 2.499 346 S HA 0.668 5.137 4.470 -0.001 0.000 0.279 346 S C -0.468 174.124 174.600 -0.012 0.000 1.219 346 S CA -0.399 57.763 58.200 -0.063 0.000 1.062 346 S CB 0.264 63.438 63.200 -0.043 0.000 0.978 346 S HN 1.107 nan 8.310 nan 0.000 0.489 347 H N 0.003 119.047 119.070 -0.044 0.000 2.950 347 H HA 0.472 5.028 4.556 -0.000 0.000 0.307 347 H C -0.571 174.721 175.328 -0.061 0.000 1.403 347 H CA -0.332 55.670 56.048 -0.077 0.000 1.145 347 H CB 0.584 30.280 29.762 -0.110 0.000 1.844 347 H HN 0.333 nan 8.280 nan 0.000 0.515 348 T N -2.630 112.047 114.554 0.206 0.000 3.487 348 T HA 0.178 4.528 4.350 -0.001 0.000 0.287 348 T C 0.461 175.207 174.700 0.076 0.000 1.004 348 T CA 0.150 62.336 62.100 0.144 0.000 0.977 348 T CB -0.432 68.457 68.868 0.035 0.000 1.180 348 T HN 0.606 nan 8.240 nan 0.000 0.490 349 T N 1.450 116.029 114.554 0.041 0.000 2.759 349 T HA 0.006 4.355 4.350 -0.001 0.000 0.269 349 T C 0.425 174.887 174.700 -0.397 0.000 1.042 349 T CA 1.338 63.195 62.100 -0.405 0.000 1.140 349 T CB -0.390 67.913 68.868 -0.943 0.000 0.864 349 T HN 0.484 nan 8.240 nan 0.000 0.455 350 F N 1.219 121.155 119.950 -0.025 0.000 2.660 350 F HA 0.486 5.012 4.527 -0.001 0.000 0.297 350 F C 1.545 177.309 175.800 -0.060 0.000 1.132 350 F CA -0.364 57.601 58.000 -0.058 0.000 1.372 350 F CB -0.488 38.481 39.000 -0.050 0.000 1.003 350 F HN 0.292 nan 8.300 nan 0.000 0.524 351 G N 0.058 108.885 108.800 0.045 0.000 2.660 351 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.247 351 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.247 351 G C -1.501 173.396 174.900 -0.005 0.000 1.328 351 G CA -0.709 44.334 45.100 -0.095 0.000 0.884 351 G HN 0.527 nan 8.290 nan 0.000 0.531 352 H N -1.040 117.873 119.070 -0.261 0.000 3.079 352 H HA 0.689 5.245 4.556 -0.000 0.000 0.356 352 H C 0.555 175.880 175.328 -0.006 0.000 1.221 352 H CA 1.875 57.876 56.048 -0.078 0.000 1.185 352 H CB 1.339 31.113 29.762 0.021 0.000 1.882 352 H HN 2.648 nan 8.280 nan 0.000 0.543 353 G N 1.025 109.572 108.800 -0.422 0.000 2.508 353 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.220 353 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.220 353 G C 0.991 175.851 174.900 -0.068 0.000 1.287 353 G CA 0.486 45.507 45.100 -0.131 0.000 0.916 353 G HN 1.368 nan 8.290 nan 0.000 0.574 354 S N -0.867 114.826 115.700 -0.011 0.000 2.515 354 S HA 0.037 4.507 4.470 -0.001 0.000 0.231 354 S C 1.208 175.650 174.600 -0.263 0.000 0.987 354 S CA 1.631 59.743 58.200 -0.148 0.000 0.936 354 S CB -0.189 62.861 63.200 -0.251 0.000 0.766 354 S HN 0.722 nan 8.310 nan 0.000 0.528 355 H N 0.822 119.875 119.070 -0.028 0.000 2.507 355 H HA 0.390 4.945 4.556 -0.001 0.000 0.294 355 H C 0.054 175.357 175.328 -0.041 0.000 1.064 355 H CA -0.415 55.619 56.048 -0.022 0.000 1.138 355 H CB -0.038 29.721 29.762 -0.004 0.000 1.515 355 H HN 0.365 nan 8.280 nan 0.000 0.547 356 L N 1.335 122.561 121.223 0.006 0.000 2.615 356 L HA -0.129 4.210 4.340 -0.001 0.000 0.284 356 L C 1.000 177.867 176.870 -0.006 0.000 1.237 356 L CA 0.081 54.920 54.840 -0.003 0.000 0.905 356 L CB 0.269 42.313 42.059 -0.026 0.000 1.149 356 L HN 0.359 nan 8.230 nan 0.000 0.499 357 C N 5.022 124.323 119.300 0.003 0.000 2.465 357 C HA -0.046 4.413 4.460 -0.001 0.000 0.402 357 C C 1.751 176.649 174.990 -0.153 0.000 1.448 357 C CA -0.177 58.815 59.018 -0.043 0.000 1.589 357 C CB -0.789 26.941 27.740 -0.016 0.000 2.535 357 C HN 0.774 nan 8.230 nan 0.000 0.600 358 L N 4.845 126.012 121.223 -0.094 0.000 2.477 358 L HA 0.204 4.544 4.340 -0.001 0.000 0.220 358 L C 2.337 179.128 176.870 -0.131 0.000 1.106 358 L CA 1.103 55.888 54.840 -0.091 0.000 0.851 358 L CB -0.292 41.761 42.059 -0.011 0.000 0.994 358 L HN 0.960 nan 8.230 nan 0.000 0.462 359 G N -0.584 108.127 108.800 -0.149 0.000 3.189 359 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.225 359 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.225 359 G C 1.331 176.060 174.900 -0.285 0.000 1.159 359 G CA -0.042 44.975 45.100 -0.137 0.000 0.763 359 G HN 0.481 nan 8.290 nan 0.000 0.549 360 Q N -0.119 119.318 119.800 -0.606 0.000 2.181 360 Q HA -0.189 4.151 4.340 -0.001 0.000 0.205 360 Q C 1.711 177.270 176.000 -0.735 0.000 0.980 360 Q CA 1.298 56.427 55.803 -1.123 0.000 0.862 360 Q CB -0.483 27.119 28.738 -1.894 0.000 0.905 360 Q HN 0.457 nan 8.270 nan 0.000 0.429 361 H N 0.312 119.214 119.070 -0.280 0.000 2.395 361 H HA -0.024 4.531 4.556 -0.001 0.000 0.299 361 H C 2.106 177.388 175.328 -0.077 0.000 1.070 361 H CA 1.252 57.211 56.048 -0.148 0.000 1.356 361 H CB -0.065 29.636 29.762 -0.102 0.000 1.401 361 H HN 0.285 nan 8.280 nan 0.000 0.524 362 L N 1.111 122.343 121.223 0.015 0.000 2.072 362 L HA 0.034 4.373 4.340 -0.001 0.000 0.205 362 L C 2.490 179.377 176.870 0.028 0.000 1.079 362 L CA 1.624 56.481 54.840 0.028 0.000 0.752 362 L CB -0.747 41.325 42.059 0.021 0.000 0.906 362 L HN 0.141 nan 8.230 nan 0.000 0.436 363 A N -0.155 122.660 122.820 -0.009 0.000 1.877 363 A HA -0.212 4.108 4.320 -0.001 0.000 0.216 363 A C 2.437 180.089 177.584 0.114 0.000 1.186 363 A CA 1.823 53.896 52.037 0.059 0.000 0.620 363 A CB -0.579 18.471 19.000 0.084 0.000 0.822 363 A HN 0.493 nan 8.150 nan 0.000 0.443 364 R N -1.240 119.307 120.500 0.079 0.000 2.081 364 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 364 R C 2.468 178.852 176.300 0.141 0.000 1.131 364 R CA 1.607 57.782 56.100 0.125 0.000 0.960 364 R CB -0.301 30.061 30.300 0.103 0.000 0.856 364 R HN 0.452 nan 8.270 nan 0.000 0.436 365 R N 1.617 122.192 120.500 0.124 0.000 2.073 365 R HA -0.136 4.204 4.340 -0.001 0.000 0.234 365 R C 1.720 178.145 176.300 0.208 0.000 1.134 365 R CA 1.812 57.996 56.100 0.140 0.000 0.952 365 R CB -0.254 30.113 30.300 0.111 0.000 0.850 365 R HN 0.287 nan 8.270 nan 0.000 0.433 366 E N -0.386 119.951 120.200 0.228 0.000 2.110 366 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 366 E C 2.000 178.879 176.600 0.465 0.000 0.988 366 E CA 1.512 58.151 56.400 0.398 0.000 0.804 366 E CB -0.141 29.699 29.700 0.234 0.000 0.745 366 E HN 0.388 nan 8.360 nan 0.000 0.458 367 I N 0.769 121.541 120.570 0.336 0.000 2.163 367 I HA -0.256 3.914 4.170 -0.001 0.000 0.240 367 I C 2.364 178.625 176.117 0.241 0.000 1.081 367 I CA 1.000 62.497 61.300 0.329 0.000 1.353 367 I CB -0.203 37.997 38.000 0.333 0.000 1.054 367 I HN 0.078 nan 8.210 nan 0.000 0.407 368 I N 0.164 120.850 120.570 0.194 0.000 2.208 368 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 368 I C 2.527 178.722 176.117 0.130 0.000 1.097 368 I CA 1.258 62.640 61.300 0.136 0.000 1.363 368 I CB -0.304 37.764 38.000 0.112 0.000 1.051 368 I HN 0.037 nan 8.210 nan 0.000 0.413 369 V N 0.325 120.341 119.914 0.170 0.000 2.343 369 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 369 V C 2.483 178.636 176.094 0.100 0.000 1.051 369 V CA 2.436 64.826 62.300 0.149 0.000 1.036 369 V CB -0.850 31.110 31.823 0.227 0.000 0.654 369 V HN 0.469 nan 8.190 nan 0.000 0.451 370 T N 0.515 115.143 114.554 0.122 0.000 2.708 370 T HA -0.150 4.200 4.350 -0.001 0.000 0.266 370 T C 1.877 176.602 174.700 0.041 0.000 1.037 370 T CA 1.675 63.803 62.100 0.046 0.000 1.146 370 T CB -0.310 68.655 68.868 0.162 0.000 0.865 370 T HN 0.298 nan 8.240 nan 0.000 0.435 371 L N 0.669 121.931 121.223 0.065 0.000 2.046 371 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 371 L C 2.708 179.622 176.870 0.073 0.000 1.077 371 L CA 1.441 56.312 54.840 0.052 0.000 0.747 371 L CB -0.517 41.571 42.059 0.049 0.000 0.896 371 L HN 0.236 nan 8.230 nan 0.000 0.432 372 K N 0.082 120.519 120.400 0.062 0.000 2.025 372 K HA -0.172 4.148 4.320 -0.001 0.000 0.207 372 K C 1.976 178.599 176.600 0.038 0.000 1.049 372 K CA 1.288 57.605 56.287 0.050 0.000 0.933 372 K CB 0.129 32.656 32.500 0.045 0.000 0.714 372 K HN 0.178 nan 8.250 nan 0.000 0.438 373 E N -0.076 120.141 120.200 0.027 0.000 2.208 373 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 373 E C 1.641 178.208 176.600 -0.056 0.000 0.988 373 E CA 0.522 56.912 56.400 -0.016 0.000 0.828 373 E CB -0.198 29.488 29.700 -0.023 0.000 0.763 373 E HN 0.532 nan 8.360 nan 0.000 0.478 374 W N 1.383 122.556 121.300 -0.212 0.000 2.441 374 W HA -0.040 4.620 4.660 -0.000 0.000 0.302 374 W C 1.734 178.115 176.519 -0.230 0.000 1.191 374 W CA 0.742 57.900 57.345 -0.313 0.000 1.327 374 W CB -0.347 28.854 29.460 -0.432 0.000 1.128 374 W HN 0.006 nan 8.180 nan 0.000 0.522 375 L N 0.528 121.860 121.223 0.182 0.000 2.191 375 L HA -0.214 4.126 4.340 -0.001 0.000 0.212 375 L C 2.333 179.217 176.870 0.024 0.000 1.103 375 L CA 1.626 56.561 54.840 0.159 0.000 0.769 375 L CB -1.087 41.072 42.059 0.168 0.000 0.908 375 L HN -0.145 nan 8.230 nan 0.000 0.438 376 T N -0.831 113.709 114.554 -0.024 0.000 2.867 376 T HA -0.103 4.246 4.350 -0.001 0.000 0.268 376 T C 2.013 176.649 174.700 -0.106 0.000 1.057 376 T CA 1.163 63.234 62.100 -0.048 0.000 1.136 376 T CB -0.003 68.840 68.868 -0.042 0.000 0.874 376 T HN 0.347 nan 8.240 nan 0.000 0.466 377 R N -0.149 120.228 120.500 -0.206 0.000 2.167 377 R HA 0.355 4.695 4.340 -0.001 0.000 0.201 377 R C 0.448 176.522 176.300 -0.377 0.000 1.024 377 R CA 0.517 56.448 56.100 -0.281 0.000 1.053 377 R CB 0.525 30.614 30.300 -0.352 0.000 0.987 377 R HN 0.290 nan 8.270 nan 0.000 0.493 378 I N 2.785 123.036 120.570 -0.532 0.000 2.833 378 I HA 0.184 4.354 4.170 -0.001 0.000 0.286 378 I C -1.894 174.171 176.117 -0.087 0.000 1.287 378 I CA -1.671 59.286 61.300 -0.570 0.000 1.046 378 I CB 1.878 39.065 38.000 -1.356 0.000 1.612 378 I HN -0.114 nan 8.210 nan 0.000 0.585 379 P HA -0.120 nan 4.420 nan 0.000 0.218 379 P C 0.191 177.620 177.300 0.214 0.000 1.149 379 P CA 1.299 64.487 63.100 0.147 0.000 0.817 379 P CB 0.332 32.068 31.700 0.061 0.000 0.785 380 D N -0.608 119.918 120.400 0.209 0.000 2.391 380 D HA 0.494 5.134 4.640 -0.001 0.000 0.245 380 D C -0.918 175.598 176.300 0.360 0.000 1.069 380 D CA -0.741 53.349 54.000 0.149 0.000 0.831 380 D CB 0.864 41.721 40.800 0.095 0.000 1.204 380 D HN -0.044 nan 8.370 nan 0.000 0.503 381 F N 0.260 120.297 119.950 0.145 0.000 2.719 381 F HA 0.758 5.284 4.527 -0.001 0.000 0.309 381 F C -1.231 174.650 175.800 0.136 0.000 1.138 381 F CA -0.896 57.248 58.000 0.241 0.000 0.943 381 F CB 1.091 40.281 39.000 0.316 0.000 1.304 381 F HN 0.161 nan 8.300 nan 0.000 0.445 382 S N 1.314 117.186 115.700 0.286 0.000 2.685 382 S HA 0.638 5.108 4.470 -0.001 0.000 0.282 382 S C -1.123 173.575 174.600 0.164 0.000 1.159 382 S CA -0.869 57.395 58.200 0.107 0.000 0.833 382 S CB 1.839 65.069 63.200 0.049 0.000 1.151 382 S HN 0.603 nan 8.310 nan 0.000 0.485 383 I N 2.026 122.642 120.570 0.077 0.000 2.588 383 I HA 0.223 4.393 4.170 -0.001 0.000 0.283 383 I C 1.051 177.210 176.117 0.069 0.000 1.119 383 I CA -0.302 61.042 61.300 0.072 0.000 1.419 383 I CB 0.033 38.051 38.000 0.031 0.000 1.394 383 I HN 0.844 nan 8.210 nan 0.000 0.562 384 A N 9.563 132.426 122.820 0.071 0.000 2.531 384 A HA 0.236 4.555 4.320 -0.001 0.000 0.236 384 A C -1.928 175.674 177.584 0.030 0.000 1.062 384 A CA -0.748 51.316 52.037 0.046 0.000 0.760 384 A CB -0.854 18.168 19.000 0.038 0.000 0.995 384 A HN 0.564 nan 8.150 nan 0.000 0.501 385 P HA 0.145 nan 4.420 nan 0.000 0.264 385 P C 0.939 178.245 177.300 0.011 0.000 1.193 385 P CA 1.446 64.554 63.100 0.013 0.000 0.763 385 P CB 0.680 32.385 31.700 0.008 0.000 0.810 386 G N 2.064 110.870 108.800 0.010 0.000 2.225 386 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.254 386 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.254 386 G C 0.419 175.326 174.900 0.012 0.000 0.988 386 G CA 0.140 45.246 45.100 0.009 0.000 0.625 386 G HN 0.902 nan 8.290 nan 0.000 0.527 387 A N 0.228 123.058 122.820 0.017 0.000 2.477 387 A HA 0.606 4.926 4.320 -0.001 0.000 0.246 387 A C 0.364 177.959 177.584 0.018 0.000 1.078 387 A CA 0.480 52.529 52.037 0.021 0.000 0.770 387 A CB 0.355 19.373 19.000 0.030 0.000 1.011 387 A HN 0.332 nan 8.150 nan 0.000 0.494 388 Q N 2.343 122.154 119.800 0.018 0.000 2.363 388 Q HA 0.288 4.627 4.340 -0.001 0.000 0.265 388 Q C -0.633 175.376 176.000 0.015 0.000 1.032 388 Q CA -0.532 55.278 55.803 0.011 0.000 0.746 388 Q CB 1.298 30.040 28.738 0.008 0.000 1.237 388 Q HN 0.639 nan 8.270 nan 0.000 0.475 389 I N 2.389 122.967 120.570 0.013 0.000 2.587 389 I HA -0.014 4.155 4.170 -0.001 0.000 0.284 389 I C 0.628 176.743 176.117 -0.003 0.000 1.134 389 I CA 0.154 61.472 61.300 0.030 0.000 1.410 389 I CB 0.060 38.094 38.000 0.057 0.000 1.392 389 I HN 0.497 nan 8.210 nan 0.000 0.545 390 Q N 7.064 126.898 119.800 0.057 0.000 2.293 390 Q HA 0.362 4.702 4.340 -0.001 0.000 0.261 390 Q C -1.070 175.064 176.000 0.223 0.000 0.960 390 Q CA -0.288 55.556 55.803 0.069 0.000 0.882 390 Q CB 1.161 29.940 28.738 0.067 0.000 1.275 390 Q HN 0.603 nan 8.270 nan 0.000 0.445 391 H N 1.608 120.748 119.070 0.116 0.000 2.559 391 H HA 0.599 5.155 4.556 -0.001 0.000 0.343 391 H C -0.564 174.853 175.328 0.147 0.000 1.209 391 H CA -1.182 54.961 56.048 0.159 0.000 1.287 391 H CB 1.584 31.512 29.762 0.277 0.000 1.650 391 H HN 0.562 nan 8.280 nan 0.000 0.567 392 K N 0.297 120.871 120.400 0.290 0.000 2.426 392 K HA 0.553 4.873 4.320 -0.001 0.000 0.251 392 K C -1.179 175.574 176.600 0.255 0.000 0.941 392 K CA -0.915 55.503 56.287 0.219 0.000 0.808 392 K CB 2.615 35.203 32.500 0.147 0.000 1.265 392 K HN 0.360 nan 8.250 nan 0.000 0.432 393 S N 0.329 116.182 115.700 0.256 0.000 2.568 393 S HA 0.915 5.384 4.470 -0.001 0.000 0.302 393 S C -0.441 174.315 174.600 0.260 0.000 1.082 393 S CA 0.221 58.606 58.200 0.308 0.000 1.009 393 S CB 1.514 64.953 63.200 0.398 0.000 1.069 393 S HN 1.018 nan 8.310 nan 0.000 0.500 394 G N 2.241 111.163 108.800 0.204 0.000 2.392 394 G HA2 0.198 4.157 3.960 -0.001 0.000 0.260 394 G HA3 0.198 4.157 3.960 -0.001 0.000 0.260 394 G C 0.155 175.019 174.900 -0.061 0.000 1.226 394 G CA -0.296 44.838 45.100 0.056 0.000 0.913 394 G HN 0.542 nan 8.290 nan 0.000 0.483 395 I N 0.095 120.615 120.570 -0.083 0.000 2.264 395 I HA 0.016 4.186 4.170 -0.001 0.000 0.248 395 I C 0.916 176.955 176.117 -0.131 0.000 1.111 395 I CA 1.533 62.699 61.300 -0.225 0.000 1.382 395 I CB -0.805 36.970 38.000 -0.374 0.000 1.060 395 I HN 0.061 nan 8.210 nan 0.000 0.418 396 V N 0.727 120.626 119.914 -0.024 0.000 2.525 396 V HA 0.298 4.418 4.120 -0.001 0.000 0.299 396 V C 0.114 176.248 176.094 0.066 0.000 1.034 396 V CA -0.617 61.687 62.300 0.006 0.000 0.863 396 V CB 1.810 33.662 31.823 0.047 0.000 0.999 396 V HN 0.081 nan 8.190 nan 0.000 0.423 397 S N 2.376 118.126 115.700 0.084 0.000 2.652 397 S HA 0.890 5.359 4.470 -0.001 0.000 0.270 397 S C 0.465 175.226 174.600 0.269 0.000 1.243 397 S CA 0.125 58.442 58.200 0.195 0.000 0.999 397 S CB 1.750 65.064 63.200 0.190 0.000 0.973 397 S HN 1.175 nan 8.310 nan 0.000 0.544 398 G N -0.549 108.364 108.800 0.189 0.000 2.682 398 G HA2 0.559 4.519 3.960 -0.001 0.000 0.303 398 G HA3 0.559 4.519 3.960 -0.001 0.000 0.303 398 G C -1.890 172.807 174.900 -0.337 0.000 1.341 398 G CA -0.515 44.480 45.100 -0.174 0.000 0.784 398 G HN 0.619 nan 8.290 nan 0.000 0.497 399 V N 1.064 120.716 119.914 -0.437 0.000 2.409 399 V HA 0.280 4.400 4.120 -0.001 0.000 0.291 399 V C 1.048 177.105 176.094 -0.061 0.000 1.020 399 V CA -0.402 61.757 62.300 -0.236 0.000 0.848 399 V CB 1.264 32.879 31.823 -0.345 0.000 0.990 399 V HN 0.870 nan 8.190 nan 0.000 0.430 400 Q N 2.909 122.731 119.800 0.036 0.000 2.096 400 Q HA 0.039 4.378 4.340 -0.001 0.000 0.204 400 Q C 0.687 176.709 176.000 0.036 0.000 0.982 400 Q CA 1.669 57.498 55.803 0.042 0.000 0.850 400 Q CB 0.250 29.027 28.738 0.066 0.000 0.901 400 Q HN 0.908 nan 8.270 nan 0.000 0.422 401 A N -0.053 122.795 122.820 0.047 0.000 2.594 401 A HA 0.536 4.856 4.320 -0.001 0.000 0.296 401 A C -1.971 175.653 177.584 0.068 0.000 1.061 401 A CA -0.640 51.430 52.037 0.055 0.000 0.689 401 A CB 1.504 20.536 19.000 0.053 0.000 1.280 401 A HN 0.089 nan 8.150 nan 0.000 0.406 402 L N 2.856 124.136 121.223 0.094 0.000 2.514 402 L HA 0.502 4.842 4.340 -0.001 0.000 0.257 402 L C -2.664 174.286 176.870 0.134 0.000 1.101 402 L CA -1.469 53.432 54.840 0.101 0.000 0.911 402 L CB 1.811 43.930 42.059 0.100 0.000 1.162 402 L HN 0.465 nan 8.230 nan 0.000 0.477 403 P HA 0.268 nan 4.420 nan 0.000 0.282 403 P C -1.010 176.372 177.300 0.136 0.000 1.262 403 P CA -0.023 63.145 63.100 0.114 0.000 0.773 403 P CB 1.171 32.915 31.700 0.073 0.000 0.879 404 L N 3.813 125.158 121.223 0.202 0.000 2.333 404 L HA 0.716 5.055 4.340 -0.001 0.000 0.269 404 L C 0.393 177.409 176.870 0.243 0.000 1.010 404 L CA -1.230 53.785 54.840 0.291 0.000 0.818 404 L CB 2.265 44.586 42.059 0.436 0.000 1.306 404 L HN 0.221 nan 8.230 nan 0.000 0.430 405 V N -1.280 118.800 119.914 0.275 0.000 3.007 405 V HA 0.819 4.938 4.120 -0.001 0.000 0.311 405 V C -1.639 174.658 176.094 0.337 0.000 1.120 405 V CA -0.589 61.748 62.300 0.061 0.000 0.980 405 V CB 1.791 33.612 31.823 -0.004 0.000 1.033 405 V HN 0.971 nan 8.190 nan 0.000 0.429 406 W N 0.727 122.105 121.300 0.129 0.000 3.059 406 W HA 0.735 5.395 4.660 -0.000 0.000 0.329 406 W C -1.720 174.842 176.519 0.072 0.000 1.246 406 W CA -0.711 56.711 57.345 0.129 0.000 1.190 406 W CB 0.903 30.475 29.460 0.187 0.000 1.423 406 W HN 0.679 nan 8.180 nan 0.000 0.571 407 D N 2.187 122.761 120.400 0.289 0.000 2.339 407 D HA 0.340 4.980 4.640 -0.001 0.000 0.241 407 D C -1.471 174.978 176.300 0.248 0.000 1.183 407 D CA -2.389 51.706 54.000 0.159 0.000 0.859 407 D CB 1.889 42.759 40.800 0.117 0.000 1.067 407 D HN 0.057 nan 8.370 nan 0.000 0.484 408 P HA -0.154 nan 4.420 nan 0.000 0.216 408 P C 0.922 178.302 177.300 0.133 0.000 1.150 408 P CA 1.490 64.708 63.100 0.197 0.000 0.843 408 P CB 0.184 31.937 31.700 0.090 0.000 0.787 409 A N -1.488 121.387 122.820 0.091 0.000 2.125 409 A HA -0.153 4.167 4.320 -0.001 0.000 0.219 409 A C 2.204 179.826 177.584 0.064 0.000 1.156 409 A CA 2.008 54.083 52.037 0.062 0.000 0.671 409 A CB -1.577 17.450 19.000 0.045 0.000 0.794 409 A HN 0.213 nan 8.150 nan 0.000 0.459 410 T N -0.440 114.169 114.554 0.092 0.000 3.086 410 T HA 0.149 4.499 4.350 -0.001 0.000 0.250 410 T C 0.931 175.662 174.700 0.052 0.000 1.074 410 T CA 0.859 63.004 62.100 0.075 0.000 0.988 410 T CB -0.632 68.293 68.868 0.095 0.000 0.988 410 T HN 0.670 nan 8.240 nan 0.000 0.530 411 T N 0.200 114.784 114.554 0.050 0.000 2.884 411 T HA 0.634 4.984 4.350 -0.001 0.000 0.277 411 T C -0.691 173.993 174.700 -0.027 0.000 0.976 411 T CA -0.845 61.243 62.100 -0.020 0.000 0.956 411 T CB 1.416 70.265 68.868 -0.032 0.000 1.113 411 T HN 0.415 nan 8.240 nan 0.000 0.554 412 K N -0.512 119.849 120.400 -0.065 0.000 2.571 412 K HA 0.647 4.966 4.320 -0.001 0.000 0.252 412 K C -1.191 175.368 176.600 -0.069 0.000 0.956 412 K CA -1.105 55.152 56.287 -0.049 0.000 0.822 412 K CB 1.649 34.126 32.500 -0.037 0.000 1.286 412 K HN 0.783 nan 8.250 nan 0.000 0.439 413 A N 3.090 125.881 122.820 -0.049 0.000 2.409 413 A HA 0.500 4.820 4.320 -0.001 0.000 0.262 413 A C -0.015 177.543 177.584 -0.044 0.000 1.113 413 A CA -0.424 51.582 52.037 -0.051 0.000 0.790 413 A CB 0.442 19.423 19.000 -0.032 0.000 1.046 413 A HN 0.487 nan 8.150 nan 0.000 0.496 414 V N 0.000 119.883 119.914 -0.051 0.000 2.409 414 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 414 V CA 0.000 62.277 62.300 -0.038 0.000 1.235 414 V CB 0.000 31.796 31.823 -0.044 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556