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 1wio_1_B DATA FIRST_RESID 1 DATA SEQUENCE KKVVLGKKGD TVELTCTASQ KKSIQFHWKN SNQIKILGNQ GSFLTKGPSK DATA SEQUENCE LNDRADSRRS LWDQGNFPLI IKNLKIEDSD TYICEVEDQK EEVQLLVFGL DATA SEQUENCE TANSDTHLLQ GQSLTLTLES PPGSSPSVQC RSPRGKNIQG GKTLSVSQLE DATA SEQUENCE LQDSGTWTCT VLQNQKKVEF KIDIVVLAFQ KASSIVYKKE GEQVEFSFPL DATA SEQUENCE AFTVEKLTGS GELWWQAERA SSSKSWITFD LKNKEVSVKR VTQDPKLQMG DATA SEQUENCE KKLPLHLTLP QALPQYAGSG NLTLALEAKT GKLHQEVNLV VMRATQLQKN DATA SEQUENCE LTCEVWGPTS PKLMLSLKLE NKEAKVSKRE KAVWVLNPEA GMWQCLLSDS DATA SEQUENCE GQVLLESNIK VLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.638 176.600 0.063 0.000 0.988 1 K CA 0.000 56.321 56.287 0.057 0.000 0.838 1 K CB 0.000 32.540 32.500 0.067 0.000 1.064 2 K N 2.576 123.022 120.400 0.076 0.000 2.351 2 K HA 0.181 4.501 4.320 -0.000 0.000 0.287 2 K C -0.408 176.238 176.600 0.078 0.000 1.068 2 K CA -0.066 56.267 56.287 0.077 0.000 0.998 2 K CB 0.114 32.673 32.500 0.098 0.000 0.968 2 K HN 0.171 nan 8.250 nan 0.000 0.464 3 V N 2.922 122.874 119.914 0.064 0.000 2.284 3 V HA 0.222 4.342 4.120 -0.000 0.000 0.274 3 V C -0.118 176.010 176.094 0.057 0.000 1.023 3 V CA -1.093 61.247 62.300 0.066 0.000 0.808 3 V CB 0.704 32.568 31.823 0.069 0.000 1.035 3 V HN 0.352 nan 8.190 nan 0.000 0.445 4 V N 5.545 125.486 119.914 0.046 0.000 2.547 4 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 4 V C 0.150 176.270 176.094 0.043 0.000 1.040 4 V CA -0.609 61.709 62.300 0.030 0.000 0.913 4 V CB 1.862 33.685 31.823 -0.001 0.000 0.992 4 V HN 0.664 nan 8.190 nan 0.000 0.449 5 L N 2.815 124.075 121.223 0.061 0.000 2.387 5 L HA 0.957 5.297 4.340 -0.000 0.000 0.266 5 L C 0.645 177.552 176.870 0.061 0.000 1.059 5 L CA -0.310 54.599 54.840 0.116 0.000 0.801 5 L CB 1.519 43.691 42.059 0.188 0.000 1.223 5 L HN 0.817 nan 8.230 nan 0.000 0.456 6 G N 0.181 109.035 108.800 0.090 0.000 2.690 6 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 6 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 6 G C -1.707 173.260 174.900 0.112 0.000 1.403 6 G CA -0.658 44.471 45.100 0.049 0.000 0.864 6 G HN 0.440 nan 8.290 nan 0.000 0.480 7 K N 0.596 121.053 120.400 0.095 0.000 2.156 7 K HA 0.367 4.687 4.320 -0.000 0.000 0.254 7 K C -0.063 176.630 176.600 0.156 0.000 0.950 7 K CA -0.858 55.552 56.287 0.205 0.000 0.849 7 K CB 2.592 35.198 32.500 0.177 0.000 1.100 7 K HN 0.477 nan 8.250 nan 0.000 0.434 8 K N 0.860 121.366 120.400 0.176 0.000 2.489 8 K HA -0.073 4.247 4.320 -0.000 0.000 0.278 8 K C 0.780 177.421 176.600 0.069 0.000 1.000 8 K CA 1.339 57.680 56.287 0.090 0.000 1.012 8 K CB 0.086 32.623 32.500 0.062 0.000 0.903 8 K HN 0.804 nan 8.250 nan 0.000 0.485 9 G N 3.160 111.983 108.800 0.039 0.000 2.322 9 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.264 9 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.264 9 G C 0.516 175.432 174.900 0.027 0.000 0.992 9 G CA 0.671 45.788 45.100 0.028 0.000 0.624 9 G HN 0.827 nan 8.290 nan 0.000 0.543 10 D N 0.338 120.762 120.400 0.039 0.000 2.025 10 D HA 0.466 5.106 4.640 -0.000 0.000 0.270 10 D C 1.175 177.479 176.300 0.007 0.000 1.135 10 D CA 1.627 55.645 54.000 0.029 0.000 0.978 10 D CB 0.401 41.226 40.800 0.041 0.000 1.178 10 D HN 0.714 nan 8.370 nan 0.000 0.487 11 T N -2.467 112.084 114.554 -0.006 0.000 2.739 11 T HA 0.560 4.910 4.350 -0.000 0.000 0.303 11 T C -1.194 173.484 174.700 -0.037 0.000 1.389 11 T CA -0.469 61.616 62.100 -0.024 0.000 1.001 11 T CB 0.827 69.680 68.868 -0.023 0.000 1.436 11 T HN 0.353 nan 8.240 nan 0.000 0.500 12 V N -1.196 118.682 119.914 -0.060 0.000 3.204 12 V HA 0.827 4.947 4.120 -0.000 0.000 0.298 12 V C -1.241 174.798 176.094 -0.091 0.000 1.328 12 V CA -1.041 61.216 62.300 -0.072 0.000 1.035 12 V CB 1.670 33.439 31.823 -0.091 0.000 1.095 12 V HN 1.244 nan 8.190 nan 0.000 0.442 13 E N 1.456 121.610 120.200 -0.076 0.000 2.199 13 E HA 0.626 4.976 4.350 -0.000 0.000 0.265 13 E C -1.983 174.577 176.600 -0.067 0.000 0.882 13 E CA -0.888 55.470 56.400 -0.070 0.000 0.759 13 E CB 2.002 31.685 29.700 -0.029 0.000 1.148 13 E HN 0.672 nan 8.360 nan 0.000 0.412 14 L N 4.024 125.184 121.223 -0.104 0.000 2.275 14 L HA 0.286 4.626 4.340 -0.000 0.000 0.288 14 L C 0.176 177.159 176.870 0.187 0.000 1.046 14 L CA -0.060 54.756 54.840 -0.041 0.000 0.805 14 L CB 1.387 43.237 42.059 -0.349 0.000 1.193 14 L HN 0.601 nan 8.230 nan 0.000 0.426 15 T N -0.285 114.386 114.554 0.195 0.000 2.828 15 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 15 T C -0.118 174.748 174.700 0.278 0.000 1.019 15 T CA -0.675 61.540 62.100 0.193 0.000 1.031 15 T CB 1.214 70.143 68.868 0.103 0.000 1.001 15 T HN 0.785 nan 8.240 nan 0.000 0.531 16 C N 2.003 121.390 119.300 0.145 0.000 3.224 16 C HA 0.535 4.995 4.460 -0.000 0.000 0.433 16 C C -0.141 174.842 174.990 -0.011 0.000 0.960 16 C CA -0.180 58.867 59.018 0.048 0.000 1.253 16 C CB -0.292 27.431 27.740 -0.029 0.000 1.640 16 C HN 1.162 nan 8.230 nan 0.000 0.591 17 T N 2.764 117.306 114.554 -0.019 0.000 2.574 17 T HA 1.046 5.396 4.350 -0.000 0.000 0.224 17 T C 0.044 174.754 174.700 0.017 0.000 0.792 17 T CA 0.263 62.322 62.100 -0.069 0.000 1.317 17 T CB 0.939 69.744 68.868 -0.105 0.000 1.590 17 T HN 2.443 nan 8.240 nan 0.000 0.456 18 A N -0.131 122.686 122.820 -0.004 0.000 2.325 18 A HA 0.577 4.897 4.320 -0.000 0.000 0.293 18 A C -0.046 177.540 177.584 0.003 0.000 0.966 18 A CA -0.233 51.812 52.037 0.014 0.000 0.541 18 A CB -0.571 18.457 19.000 0.046 0.000 1.523 18 A HN 0.558 nan 8.150 nan 0.000 0.597 19 S N -0.593 115.110 115.700 0.006 0.000 2.393 19 S HA 0.407 4.877 4.470 -0.000 0.000 0.255 19 S C 1.365 175.972 174.600 0.011 0.000 1.210 19 S CA 1.135 59.335 58.200 0.000 0.000 1.013 19 S CB -0.022 63.177 63.200 -0.002 0.000 1.055 19 S HN 2.042 nan 8.310 nan 0.000 0.483 20 Q N 0.682 120.487 119.800 0.009 0.000 2.087 20 Q HA -0.400 3.940 4.340 -0.000 0.000 0.153 20 Q C 0.587 176.600 176.000 0.022 0.000 0.706 20 Q CA 2.427 58.240 55.803 0.017 0.000 1.467 20 Q CB -2.148 26.604 28.738 0.022 0.000 1.557 20 Q HN 0.847 nan 8.270 nan 0.000 0.862 21 K N 1.931 122.338 120.400 0.013 0.000 2.947 21 K HA -0.257 4.063 4.320 -0.000 0.000 0.279 21 K C 0.187 176.788 176.600 0.002 0.000 1.052 21 K CA 2.177 58.452 56.287 -0.019 0.000 0.838 21 K CB -0.547 31.931 32.500 -0.036 0.000 1.230 21 K HN 0.797 nan 8.250 nan 0.000 0.436 22 K N -0.241 120.193 120.400 0.057 0.000 2.090 22 K HA 0.202 4.522 4.320 -0.000 0.000 0.249 22 K C -0.284 176.414 176.600 0.162 0.000 0.995 22 K CA -0.503 55.830 56.287 0.076 0.000 0.914 22 K CB 1.143 33.676 32.500 0.056 0.000 1.057 22 K HN -0.094 nan 8.250 nan 0.000 0.462 23 S N 1.762 117.558 115.700 0.159 0.000 2.643 23 S HA 0.085 4.555 4.470 -0.000 0.000 0.329 23 S C 0.321 175.002 174.600 0.135 0.000 1.193 23 S CA -0.386 57.951 58.200 0.228 0.000 1.293 23 S CB -1.276 62.041 63.200 0.195 0.000 1.205 23 S HN 0.498 nan 8.310 nan 0.000 0.550 24 I N 1.306 121.950 120.570 0.124 0.000 3.067 24 I HA 0.584 4.753 4.170 -0.000 0.000 0.312 24 I C -0.069 175.835 176.117 -0.356 0.000 1.073 24 I CA -1.560 59.672 61.300 -0.112 0.000 1.016 24 I CB 1.369 39.315 38.000 -0.091 0.000 1.227 24 I HN 0.261 nan 8.210 nan 0.000 0.456 25 Q N 2.072 121.672 119.800 -0.334 0.000 2.392 25 Q HA 0.434 4.774 4.340 -0.000 0.000 0.262 25 Q C -1.386 174.281 176.000 -0.555 0.000 1.003 25 Q CA 0.108 55.657 55.803 -0.422 0.000 0.888 25 Q CB 0.750 29.299 28.738 -0.315 0.000 1.260 25 Q HN 0.591 nan 8.270 nan 0.000 0.435 26 F N 0.158 119.648 119.950 -0.766 0.000 2.713 26 F HA 0.596 5.123 4.527 -0.000 0.000 0.311 26 F C -1.741 173.732 175.800 -0.546 0.000 1.141 26 F CA -0.999 56.500 58.000 -0.835 0.000 0.939 26 F CB 1.308 39.676 39.000 -1.055 0.000 1.325 26 F HN 0.697 nan 8.300 nan 0.000 0.453 27 H N -1.208 117.702 119.070 -0.266 0.000 3.154 27 H HA 0.228 4.784 4.556 -0.000 0.000 0.330 27 H C -2.536 172.794 175.328 0.002 0.000 1.033 27 H CA -1.186 54.751 56.048 -0.184 0.000 1.393 27 H CB 0.580 30.233 29.762 -0.181 0.000 1.951 27 H HN 0.881 nan 8.280 nan 0.000 0.466 28 W N 4.611 126.075 121.300 0.273 0.000 2.358 28 W HA 0.313 4.973 4.660 -0.000 0.000 0.307 28 W C -0.230 176.400 176.519 0.185 0.000 1.203 28 W CA -0.462 57.039 57.345 0.261 0.000 1.279 28 W CB 1.274 30.911 29.460 0.295 0.000 1.264 28 W HN 0.512 nan 8.180 nan 0.000 0.474 29 K N 2.662 123.321 120.400 0.431 0.000 2.375 29 K HA 0.499 4.819 4.320 -0.000 0.000 0.249 29 K C -0.304 176.393 176.600 0.161 0.000 0.942 29 K CA -1.200 55.215 56.287 0.213 0.000 0.806 29 K CB 1.314 33.866 32.500 0.087 0.000 1.227 29 K HN 0.332 nan 8.250 nan 0.000 0.430 30 N N -0.255 118.433 118.700 -0.021 0.000 2.413 30 N HA -0.019 4.721 4.740 -0.000 0.000 0.266 30 N C 0.626 176.080 175.510 -0.093 0.000 1.238 30 N CA -0.434 52.491 53.050 -0.209 0.000 0.972 30 N CB 0.693 38.922 38.487 -0.430 0.000 1.210 30 N HN 0.702 nan 8.380 nan 0.000 0.547 31 S N -0.904 114.734 115.700 -0.103 0.000 2.488 31 S HA -0.199 4.271 4.470 -0.000 0.000 0.246 31 S C 0.371 174.945 174.600 -0.044 0.000 0.992 31 S CA 0.998 59.172 58.200 -0.043 0.000 0.963 31 S CB -1.075 62.103 63.200 -0.036 0.000 0.754 31 S HN 0.700 nan 8.310 nan 0.000 0.519 32 N N 1.154 119.815 118.700 -0.065 0.000 2.313 32 N HA 0.152 4.892 4.740 -0.000 0.000 0.207 32 N C -0.359 175.127 175.510 -0.040 0.000 1.141 32 N CA -0.015 53.005 53.050 -0.050 0.000 0.830 32 N CB 0.108 38.559 38.487 -0.059 0.000 1.008 32 N HN 0.049 nan 8.380 nan 0.000 0.481 33 Q N -0.513 119.268 119.800 -0.033 0.000 2.480 33 Q HA -0.199 4.141 4.340 -0.000 0.000 0.265 33 Q C -0.561 175.417 176.000 -0.036 0.000 1.072 33 Q CA 0.965 56.750 55.803 -0.030 0.000 1.018 33 Q CB -2.083 26.636 28.738 -0.032 0.000 1.433 33 Q HN 0.575 nan 8.270 nan 0.000 0.513 34 I N 0.929 121.480 120.570 -0.032 0.000 2.385 34 I HA 0.145 4.315 4.170 -0.000 0.000 0.294 34 I C 0.694 176.814 176.117 0.004 0.000 0.988 34 I CA -0.509 60.777 61.300 -0.024 0.000 1.265 34 I CB 1.053 39.036 38.000 -0.027 0.000 1.388 34 I HN -0.184 nan 8.210 nan 0.000 0.480 35 K N 6.686 127.089 120.400 0.004 0.000 2.292 35 K HA 0.264 4.584 4.320 -0.000 0.000 0.290 35 K C 0.763 177.418 176.600 0.092 0.000 1.083 35 K CA -0.336 55.977 56.287 0.043 0.000 0.918 35 K CB 0.962 33.453 32.500 -0.015 0.000 1.089 35 K HN 0.521 nan 8.250 nan 0.000 0.473 36 I N 2.500 123.169 120.570 0.166 0.000 2.076 36 I HA -0.226 3.944 4.170 -0.000 0.000 0.237 36 I C 0.968 177.190 176.117 0.175 0.000 1.059 36 I CA 1.642 63.048 61.300 0.178 0.000 1.317 36 I CB -0.803 37.350 38.000 0.254 0.000 1.037 36 I HN 0.519 nan 8.210 nan 0.000 0.398 37 L N -2.475 118.896 121.223 0.247 0.000 2.622 37 L HA 0.898 5.238 4.340 -0.000 0.000 0.258 37 L C -0.703 176.279 176.870 0.187 0.000 0.996 37 L CA -0.393 54.581 54.840 0.222 0.000 0.858 37 L CB 1.546 43.773 42.059 0.280 0.000 1.449 37 L HN 0.075 nan 8.230 nan 0.000 0.411 38 G N 0.284 109.109 108.800 0.042 0.000 2.870 38 G HA2 0.698 4.658 3.960 -0.000 0.000 0.299 38 G HA3 0.698 4.658 3.960 -0.000 0.000 0.299 38 G C -1.794 172.906 174.900 -0.334 0.000 1.324 38 G CA -0.310 44.624 45.100 -0.275 0.000 0.808 38 G HN 1.089 nan 8.290 nan 0.000 0.535 39 N N -2.990 115.365 118.700 -0.576 0.000 2.571 39 N HA 0.701 5.441 4.740 -0.000 0.000 0.273 39 N C -0.821 174.559 175.510 -0.217 0.000 1.340 39 N CA -0.207 52.631 53.050 -0.354 0.000 0.789 39 N CB 1.521 39.569 38.487 -0.731 0.000 1.514 39 N HN 1.253 nan 8.380 nan 0.000 0.499 40 Q N -0.622 119.124 119.800 -0.089 0.000 4.056 40 Q HA 0.580 4.919 4.340 -0.000 0.000 0.163 40 Q C 0.500 176.406 176.000 -0.158 0.000 0.865 40 Q CA 0.016 55.751 55.803 -0.114 0.000 0.779 40 Q CB -0.672 28.026 28.738 -0.067 0.000 1.500 40 Q HN 1.895 nan 8.270 nan 0.000 0.462 41 G N 0.402 109.132 108.800 -0.117 0.000 2.512 41 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.240 41 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.240 41 G C 1.483 176.508 174.900 0.208 0.000 1.246 41 G CA 0.876 45.924 45.100 -0.087 0.000 0.919 41 G HN 2.003 nan 8.290 nan 0.000 0.577 42 S N -0.427 115.434 115.700 0.267 0.000 2.447 42 S HA 0.172 4.642 4.470 -0.000 0.000 0.233 42 S C 1.023 176.028 174.600 0.676 0.000 1.006 42 S CA 1.336 59.846 58.200 0.517 0.000 0.957 42 S CB -0.105 63.346 63.200 0.417 0.000 0.773 42 S HN 0.838 nan 8.310 nan 0.000 0.507 43 F N 2.988 123.087 119.950 0.249 0.000 2.506 43 F HA 0.457 4.984 4.527 -0.000 0.000 0.369 43 F C 0.257 176.228 175.800 0.286 0.000 1.114 43 F CA -2.361 55.756 58.000 0.195 0.000 1.121 43 F CB -0.784 38.289 39.000 0.121 0.000 1.104 43 F HN 0.125 nan 8.300 nan 0.000 0.564 44 L N 4.839 126.342 121.223 0.468 0.000 2.349 44 L HA 0.558 4.898 4.340 -0.000 0.000 0.275 44 L C 0.292 177.339 176.870 0.294 0.000 1.115 44 L CA 0.128 55.264 54.840 0.493 0.000 0.820 44 L CB 0.983 43.252 42.059 0.349 0.000 1.135 44 L HN 0.699 nan 8.230 nan 0.000 0.445 45 T N 1.658 116.364 114.554 0.253 0.000 2.916 45 T HA 0.742 5.092 4.350 -0.000 0.000 0.292 45 T C -0.457 174.330 174.700 0.146 0.000 1.064 45 T CA -0.873 61.321 62.100 0.157 0.000 1.011 45 T CB 1.991 70.924 68.868 0.108 0.000 1.152 45 T HN 0.698 nan 8.240 nan 0.000 0.510 46 K N -0.917 119.549 120.400 0.109 0.000 2.263 46 K HA 0.794 5.114 4.320 -0.000 0.000 0.249 46 K C -0.138 176.506 176.600 0.073 0.000 1.076 46 K CA -0.580 55.770 56.287 0.104 0.000 0.884 46 K CB 1.887 34.442 32.500 0.091 0.000 1.394 46 K HN 1.018 nan 8.250 nan 0.000 0.476 47 G N -0.109 108.732 108.800 0.068 0.000 2.644 47 G HA2 0.364 4.324 3.960 -0.000 0.000 0.307 47 G HA3 0.364 4.324 3.960 -0.000 0.000 0.307 47 G C -2.090 172.830 174.900 0.033 0.000 1.250 47 G CA -1.354 43.773 45.100 0.044 0.000 0.996 47 G HN 0.482 nan 8.290 nan 0.000 0.489 48 P HA -0.043 nan 4.420 nan 0.000 0.223 48 P C 1.139 178.446 177.300 0.011 0.000 1.151 48 P CA 0.613 63.720 63.100 0.012 0.000 0.787 48 P CB -0.058 31.644 31.700 0.004 0.000 0.788 49 S N 0.407 116.115 115.700 0.013 0.000 2.553 49 S HA -0.051 4.418 4.470 -0.000 0.000 0.293 49 S C 1.281 175.888 174.600 0.013 0.000 1.296 49 S CA -0.096 58.109 58.200 0.009 0.000 1.046 49 S CB 0.405 63.614 63.200 0.014 0.000 0.810 49 S HN 0.069 nan 8.310 nan 0.000 0.505 50 K N 0.572 120.975 120.400 0.006 0.000 2.218 50 K HA -0.124 4.195 4.320 -0.000 0.000 0.205 50 K C 1.696 178.308 176.600 0.020 0.000 1.046 50 K CA 1.119 57.411 56.287 0.009 0.000 0.933 50 K CB -0.415 32.086 32.500 0.003 0.000 0.728 50 K HN 0.478 nan 8.250 nan 0.000 0.454 51 L N 1.886 123.127 121.223 0.030 0.000 2.201 51 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 51 L C 1.533 178.429 176.870 0.043 0.000 1.105 51 L CA 1.162 56.031 54.840 0.047 0.000 0.775 51 L CB -0.966 41.143 42.059 0.083 0.000 0.913 51 L HN 0.300 nan 8.230 nan 0.000 0.440 52 N N 1.057 119.783 118.700 0.042 0.000 0.937 52 N HA -0.333 4.407 4.740 -0.000 0.000 0.158 52 N C 0.463 175.997 175.510 0.041 0.000 0.279 52 N CA 2.534 55.609 53.050 0.042 0.000 0.922 52 N CB -0.608 37.898 38.487 0.031 0.000 1.720 52 N HN 0.489 nan 8.380 nan 0.000 0.551 53 D N 0.280 120.699 120.400 0.031 0.000 2.488 53 D HA -0.026 4.614 4.640 -0.000 0.000 0.260 53 D C 1.157 177.470 176.300 0.021 0.000 1.273 53 D CA 0.611 54.627 54.000 0.026 0.000 0.912 53 D CB -0.497 40.315 40.800 0.019 0.000 0.982 53 D HN 0.363 nan 8.370 nan 0.000 0.492 54 R N -0.947 119.567 120.500 0.022 0.000 2.539 54 R HA 0.407 4.747 4.340 -0.000 0.000 0.342 54 R C -0.418 175.887 176.300 0.008 0.000 0.941 54 R CA -0.130 55.977 56.100 0.013 0.000 1.146 54 R CB 0.973 31.279 30.300 0.010 0.000 1.541 54 R HN 0.201 nan 8.270 nan 0.000 0.525 55 A N 0.194 123.027 122.820 0.022 0.000 2.311 55 A HA 0.565 4.885 4.320 -0.000 0.000 0.334 55 A C -1.086 176.525 177.584 0.044 0.000 1.139 55 A CA -0.412 51.636 52.037 0.017 0.000 0.830 55 A CB 1.293 20.314 19.000 0.035 0.000 1.234 55 A HN 0.212 nan 8.150 nan 0.000 0.483 56 D N -0.489 119.942 120.400 0.051 0.000 2.663 56 D HA 0.449 5.089 4.640 -0.000 0.000 0.233 56 D C -1.596 174.782 176.300 0.129 0.000 1.240 56 D CA -0.079 53.970 54.000 0.083 0.000 0.774 56 D CB 2.166 42.985 40.800 0.032 0.000 1.443 56 D HN 0.508 nan 8.370 nan 0.000 0.441 57 S N 0.912 116.723 115.700 0.185 0.000 2.542 57 S HA 0.536 5.006 4.470 -0.000 0.000 0.293 57 S C -0.901 173.692 174.600 -0.012 0.000 1.089 57 S CA -0.707 57.654 58.200 0.267 0.000 0.961 57 S CB 1.284 64.920 63.200 0.726 0.000 1.062 57 S HN 0.341 nan 8.310 nan 0.000 0.483 58 R N 3.225 123.686 120.500 -0.065 0.000 2.248 58 R HA 0.273 4.613 4.340 -0.000 0.000 0.337 58 R C 1.119 177.056 176.300 -0.605 0.000 1.106 58 R CA -0.314 55.642 56.100 -0.241 0.000 0.959 58 R CB 0.408 30.646 30.300 -0.104 0.000 1.075 58 R HN 0.629 nan 8.270 nan 0.000 0.480 59 R N 0.730 120.685 120.500 -0.908 0.000 2.105 59 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 59 R C 2.185 178.295 176.300 -0.317 0.000 1.135 59 R CA 2.148 57.568 56.100 -1.133 0.000 0.967 59 R CB -0.129 29.677 30.300 -0.823 0.000 0.861 59 R HN 0.617 nan 8.270 nan 0.000 0.442 60 S N 1.339 116.921 115.700 -0.197 0.000 2.343 60 S HA -0.142 4.328 4.470 -0.000 0.000 0.219 60 S C 1.950 176.543 174.600 -0.011 0.000 1.033 60 S CA 0.976 59.140 58.200 -0.060 0.000 1.014 60 S CB -0.665 62.499 63.200 -0.060 0.000 0.915 60 S HN 0.240 nan 8.310 nan 0.000 0.435 61 L N -0.481 120.718 121.223 -0.040 0.000 2.651 61 L HA -0.073 4.267 4.340 -0.000 0.000 0.236 61 L C 2.302 179.199 176.870 0.046 0.000 1.173 61 L CA 0.584 55.416 54.840 -0.014 0.000 0.843 61 L CB -0.515 41.528 42.059 -0.028 0.000 0.964 61 L HN 0.420 nan 8.230 nan 0.000 0.454 62 W N 0.208 121.452 121.300 -0.094 0.000 2.379 62 W HA -0.163 4.497 4.660 -0.000 0.000 0.307 62 W C 2.399 178.841 176.519 -0.129 0.000 1.200 62 W CA 0.409 57.688 57.345 -0.109 0.000 1.297 62 W CB -0.764 28.774 29.460 0.130 0.000 1.140 62 W HN 0.209 nan 8.180 nan 0.000 0.507 63 D N -0.288 120.236 120.400 0.207 0.000 2.158 63 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 63 D C 1.162 177.465 176.300 0.005 0.000 0.995 63 D CA 1.325 55.391 54.000 0.109 0.000 0.846 63 D CB -0.156 40.700 40.800 0.093 0.000 0.941 63 D HN 0.310 nan 8.370 nan 0.000 0.456 64 Q N -0.946 118.824 119.800 -0.051 0.000 2.253 64 Q HA 0.221 4.561 4.340 -0.000 0.000 0.210 64 Q C 1.120 176.999 176.000 -0.202 0.000 0.907 64 Q CA 0.262 56.008 55.803 -0.096 0.000 0.948 64 Q CB 0.649 29.342 28.738 -0.074 0.000 1.033 64 Q HN 0.354 nan 8.270 nan 0.000 0.471 65 G N 0.754 109.340 108.800 -0.357 0.000 2.336 65 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.233 65 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.233 65 G C 0.069 174.297 174.900 -1.118 0.000 1.053 65 G CA -0.098 44.644 45.100 -0.598 0.000 0.625 65 G HN 0.460 nan 8.290 nan 0.000 0.511 66 N N 0.288 118.562 118.700 -0.711 0.000 2.513 66 N HA 0.538 5.278 4.740 -0.000 0.000 0.268 66 N C -0.676 174.364 175.510 -0.783 0.000 1.180 66 N CA 0.247 52.943 53.050 -0.591 0.000 0.948 66 N CB 0.260 38.621 38.487 -0.211 0.000 1.083 66 N HN 0.162 nan 8.380 nan 0.000 0.455 67 F N 1.475 121.275 119.950 -0.250 0.000 2.564 67 F HA 0.317 4.844 4.527 -0.000 0.000 0.329 67 F C -2.174 173.563 175.800 -0.106 0.000 1.458 67 F CA -2.096 55.501 58.000 -0.672 0.000 1.117 67 F CB 0.477 38.515 39.000 -1.604 0.000 1.383 67 F HN 0.273 nan 8.300 nan 0.000 0.571 68 P HA 0.130 nan 4.420 nan 0.000 0.272 68 P C -0.724 176.838 177.300 0.437 0.000 1.223 68 P CA -0.190 63.117 63.100 0.345 0.000 0.784 68 P CB 2.479 34.280 31.700 0.168 0.000 0.923 69 L N 4.026 125.385 121.223 0.226 0.000 2.316 69 L HA 0.486 4.826 4.340 -0.000 0.000 0.280 69 L C -0.629 176.137 176.870 -0.174 0.000 1.006 69 L CA -0.620 54.124 54.840 -0.160 0.000 0.836 69 L CB 0.341 41.745 42.059 -1.091 0.000 1.221 69 L HN 0.291 nan 8.230 nan 0.000 0.418 70 I N 6.025 126.547 120.570 -0.080 0.000 2.339 70 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 70 I C -0.697 175.365 176.117 -0.090 0.000 0.994 70 I CA -0.415 60.838 61.300 -0.077 0.000 1.191 70 I CB 1.184 39.168 38.000 -0.027 0.000 1.343 70 I HN 0.556 nan 8.210 nan 0.000 0.458 71 I N 8.008 128.509 120.570 -0.115 0.000 2.355 71 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 71 I C 0.153 176.237 176.117 -0.056 0.000 0.999 71 I CA -0.608 60.637 61.300 -0.092 0.000 1.163 71 I CB 1.223 39.144 38.000 -0.131 0.000 1.316 71 I HN 0.538 nan 8.210 nan 0.000 0.454 72 K N 3.690 124.071 120.400 -0.031 0.000 2.863 72 K HA 0.271 4.591 4.320 -0.000 0.000 0.304 72 K C 0.121 176.714 176.600 -0.012 0.000 1.015 72 K CA -0.713 55.563 56.287 -0.019 0.000 1.093 72 K CB 0.030 32.524 32.500 -0.010 0.000 1.345 72 K HN 0.410 nan 8.250 nan 0.000 0.500 73 N N 1.536 120.234 118.700 -0.003 0.000 3.107 73 N HA -0.197 4.543 4.740 -0.000 0.000 0.302 73 N C -0.936 174.576 175.510 0.003 0.000 1.099 73 N CA 0.072 53.123 53.050 0.002 0.000 0.861 73 N CB -0.968 37.521 38.487 0.003 0.000 0.926 73 N HN 0.279 nan 8.380 nan 0.000 0.630 74 L N 0.976 122.201 121.223 0.003 0.000 2.745 74 L HA -0.077 4.263 4.340 -0.000 0.000 0.273 74 L C 0.999 177.875 176.870 0.009 0.000 1.156 74 L CA 0.602 55.444 54.840 0.004 0.000 0.982 74 L CB 0.044 42.106 42.059 0.006 0.000 1.295 74 L HN 0.372 nan 8.230 nan 0.000 0.483 75 K N 2.925 123.330 120.400 0.008 0.000 2.276 75 K HA 0.128 4.448 4.320 -0.000 0.000 0.283 75 K C 1.104 177.704 176.600 0.000 0.000 1.044 75 K CA -0.629 55.661 56.287 0.006 0.000 0.944 75 K CB 1.216 33.720 32.500 0.007 0.000 1.012 75 K HN 0.358 nan 8.250 nan 0.000 0.472 76 I N 2.643 123.208 120.570 -0.008 0.000 2.236 76 I HA -0.336 3.834 4.170 -0.000 0.000 0.249 76 I C 1.575 177.674 176.117 -0.030 0.000 1.102 76 I CA 1.566 62.850 61.300 -0.026 0.000 1.365 76 I CB -0.531 37.452 38.000 -0.029 0.000 1.051 76 I HN 0.672 nan 8.210 nan 0.000 0.420 77 E N 0.340 120.531 120.200 -0.015 0.000 2.335 77 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 77 E C 0.166 176.770 176.600 0.007 0.000 1.150 77 E CA 0.341 56.734 56.400 -0.011 0.000 1.001 77 E CB -0.382 29.312 29.700 -0.011 0.000 1.127 77 E HN 0.503 nan 8.360 nan 0.000 0.462 78 D N 0.807 121.222 120.400 0.024 0.000 2.367 78 D HA 0.009 4.649 4.640 -0.000 0.000 0.207 78 D C -0.008 176.371 176.300 0.132 0.000 1.034 78 D CA 0.171 54.224 54.000 0.088 0.000 0.861 78 D CB 0.333 41.181 40.800 0.079 0.000 0.943 78 D HN -0.028 nan 8.370 nan 0.000 0.515 79 S N 1.934 117.662 115.700 0.047 0.000 2.611 79 S HA 0.086 4.556 4.470 -0.000 0.000 0.317 79 S C -0.054 174.585 174.600 0.065 0.000 1.208 79 S CA 0.423 58.647 58.200 0.039 0.000 1.217 79 S CB 0.294 63.464 63.200 -0.050 0.000 1.085 79 S HN 0.161 nan 8.310 nan 0.000 0.529 80 D N 0.723 121.224 120.400 0.169 0.000 2.677 80 D HA 0.335 4.975 4.640 -0.000 0.000 0.298 80 D C -1.090 175.321 176.300 0.185 0.000 1.250 80 D CA -0.443 53.594 54.000 0.063 0.000 0.888 80 D CB 1.787 42.462 40.800 -0.207 0.000 1.397 80 D HN 0.236 nan 8.370 nan 0.000 0.461 81 T N 1.667 116.267 114.554 0.076 0.000 2.801 81 T HA 0.414 4.764 4.350 -0.000 0.000 0.306 81 T C -0.645 174.149 174.700 0.156 0.000 1.020 81 T CA -0.314 61.889 62.100 0.171 0.000 0.948 81 T CB -0.303 68.622 68.868 0.096 0.000 0.962 81 T HN 0.095 nan 8.240 nan 0.000 0.465 82 Y N 2.226 122.603 120.300 0.129 0.000 2.354 82 Y HA 0.645 5.195 4.550 -0.000 0.000 0.322 82 Y C 0.560 176.667 175.900 0.344 0.000 1.253 82 Y CA -1.681 56.553 58.100 0.224 0.000 1.272 82 Y CB 0.693 39.255 38.460 0.170 0.000 1.255 82 Y HN 0.445 nan 8.280 nan 0.000 0.500 83 I N 1.244 122.136 120.570 0.538 0.000 2.545 83 I HA 0.306 4.476 4.170 -0.000 0.000 0.292 83 I C -1.139 175.118 176.117 0.233 0.000 1.040 83 I CA -0.647 60.854 61.300 0.335 0.000 1.068 83 I CB 1.978 40.084 38.000 0.178 0.000 1.251 83 I HN 0.494 nan 8.210 nan 0.000 0.424 84 C N 5.235 124.417 119.300 -0.196 0.000 2.250 84 C HA 0.287 4.747 4.460 -0.000 0.000 0.319 84 C C 0.277 175.069 174.990 -0.330 0.000 1.124 84 C CA -0.404 58.180 59.018 -0.724 0.000 1.527 84 C CB -0.606 26.199 27.740 -1.558 0.000 2.001 84 C HN 0.699 nan 8.230 nan 0.000 0.435 85 E N 3.561 123.663 120.200 -0.163 0.000 2.003 85 E HA 0.324 4.674 4.350 -0.000 0.000 0.279 85 E C -0.325 176.059 176.600 -0.359 0.000 1.132 85 E CA -0.020 56.301 56.400 -0.133 0.000 0.888 85 E CB 0.780 30.554 29.700 0.123 0.000 1.056 85 E HN 0.549 nan 8.360 nan 0.000 0.399 86 V N 2.487 122.233 119.914 -0.281 0.000 3.093 86 V HA 0.035 4.155 4.120 -0.000 0.000 0.320 86 V C 1.249 177.209 176.094 -0.224 0.000 1.093 86 V CA -0.727 61.391 62.300 -0.304 0.000 1.016 86 V CB 1.673 33.377 31.823 -0.199 0.000 1.096 86 V HN 0.619 nan 8.190 nan 0.000 0.452 87 E N 1.204 121.274 120.200 -0.217 0.000 2.659 87 E HA -0.270 4.080 4.350 -0.000 0.000 0.272 87 E C 0.138 176.681 176.600 -0.094 0.000 1.307 87 E CA 1.861 58.175 56.400 -0.144 0.000 0.964 87 E CB -0.461 29.179 29.700 -0.101 0.000 0.813 87 E HN 0.763 nan 8.360 nan 0.000 0.488 88 D N -1.580 118.769 120.400 -0.085 0.000 4.437 88 D HA -0.044 4.596 4.640 -0.000 0.000 0.097 88 D C -0.627 175.647 176.300 -0.043 0.000 0.398 88 D CA 0.407 54.375 54.000 -0.053 0.000 0.575 88 D CB -1.079 39.697 40.800 -0.040 0.000 1.641 88 D HN 0.364 nan 8.370 nan 0.000 0.033 89 Q N 0.160 119.928 119.800 -0.052 0.000 2.633 89 Q HA 0.411 4.751 4.340 -0.000 0.000 0.289 89 Q C -1.656 174.318 176.000 -0.043 0.000 0.940 89 Q CA -0.593 55.187 55.803 -0.037 0.000 0.785 89 Q CB 1.884 30.603 28.738 -0.032 0.000 1.467 89 Q HN -0.089 nan 8.270 nan 0.000 0.401 90 K N 1.618 122.005 120.400 -0.023 0.000 2.345 90 K HA 0.426 4.746 4.320 -0.000 0.000 0.255 90 K C -1.227 175.371 176.600 -0.004 0.000 0.934 90 K CA -0.810 55.468 56.287 -0.015 0.000 0.801 90 K CB 1.905 34.412 32.500 0.011 0.000 1.137 90 K HN 0.364 nan 8.250 nan 0.000 0.424 91 E N 2.528 122.720 120.200 -0.012 0.000 2.092 91 E HA 0.131 4.481 4.350 -0.000 0.000 0.271 91 E C -0.952 175.710 176.600 0.104 0.000 0.919 91 E CA -0.345 56.071 56.400 0.026 0.000 0.760 91 E CB 1.720 31.412 29.700 -0.013 0.000 1.106 91 E HN 0.472 nan 8.360 nan 0.000 0.408 92 E N 1.853 122.121 120.200 0.113 0.000 2.200 92 E HA 0.320 4.670 4.350 -0.000 0.000 0.283 92 E C -0.924 175.784 176.600 0.180 0.000 1.015 92 E CA -0.465 56.025 56.400 0.149 0.000 0.819 92 E CB 1.365 31.127 29.700 0.104 0.000 1.081 92 E HN 0.114 nan 8.360 nan 0.000 0.397 93 V N 4.131 124.195 119.914 0.250 0.000 2.525 93 V HA 0.205 4.325 4.120 -0.000 0.000 0.299 93 V C -0.496 175.732 176.094 0.223 0.000 1.034 93 V CA -0.876 61.557 62.300 0.221 0.000 0.863 93 V CB 1.599 33.574 31.823 0.253 0.000 0.999 93 V HN 0.642 nan 8.190 nan 0.000 0.423 94 Q N 3.578 123.471 119.800 0.154 0.000 2.340 94 Q HA 0.598 4.938 4.340 -0.000 0.000 0.259 94 Q C -1.407 174.653 176.000 0.099 0.000 0.964 94 Q CA -0.797 55.096 55.803 0.150 0.000 0.900 94 Q CB 1.803 30.606 28.738 0.108 0.000 1.228 94 Q HN 0.714 nan 8.270 nan 0.000 0.449 95 L N 6.238 127.521 121.223 0.100 0.000 2.264 95 L HA 0.403 4.743 4.340 -0.000 0.000 0.287 95 L C -1.583 175.296 176.870 0.015 0.000 1.039 95 L CA -0.095 54.754 54.840 0.014 0.000 0.829 95 L CB 0.799 42.799 42.059 -0.099 0.000 1.211 95 L HN 0.637 nan 8.230 nan 0.000 0.427 96 L N 6.458 127.676 121.223 -0.008 0.000 2.276 96 L HA 0.520 4.860 4.340 -0.000 0.000 0.286 96 L C -0.056 176.684 176.870 -0.216 0.000 1.024 96 L CA -0.862 53.905 54.840 -0.121 0.000 0.826 96 L CB 1.347 43.354 42.059 -0.086 0.000 1.211 96 L HN 0.335 nan 8.230 nan 0.000 0.422 97 V N 1.648 121.395 119.914 -0.280 0.000 3.441 97 V HA 0.499 4.619 4.120 -0.000 0.000 0.300 97 V C -0.248 175.535 176.094 -0.518 0.000 1.062 97 V CA -0.379 61.806 62.300 -0.192 0.000 1.064 97 V CB 1.171 32.947 31.823 -0.080 0.000 1.197 97 V HN 0.434 nan 8.190 nan 0.000 0.451 98 F N -1.500 118.540 119.950 0.151 0.000 2.741 98 F HA 0.734 5.261 4.527 -0.000 0.000 0.313 98 F C 0.255 176.178 175.800 0.204 0.000 1.153 98 F CA -0.328 57.788 58.000 0.194 0.000 0.931 98 F CB 2.184 41.365 39.000 0.302 0.000 1.335 98 F HN 0.695 nan 8.300 nan 0.000 0.460 99 G N 1.958 110.892 108.800 0.223 0.000 2.965 99 G HA2 0.459 4.419 3.960 -0.000 0.000 0.301 99 G HA3 0.459 4.419 3.960 -0.000 0.000 0.301 99 G C -2.178 172.502 174.900 -0.366 0.000 1.878 99 G CA -0.474 44.549 45.100 -0.128 0.000 0.828 99 G HN 0.611 nan 8.290 nan 0.000 0.435 100 L N 1.946 122.625 121.223 -0.906 0.000 2.410 100 L HA 0.752 5.092 4.340 -0.000 0.000 0.273 100 L C 0.188 176.803 176.870 -0.424 0.000 1.144 100 L CA 0.601 55.060 54.840 -0.635 0.000 0.863 100 L CB 1.369 42.940 42.059 -0.813 0.000 1.140 100 L HN 0.331 nan 8.230 nan 0.000 0.463 101 T N 3.858 118.262 114.554 -0.250 0.000 2.923 101 T HA 0.747 5.097 4.350 -0.000 0.000 0.311 101 T C -1.289 173.322 174.700 -0.148 0.000 1.183 101 T CA -0.278 61.713 62.100 -0.182 0.000 1.020 101 T CB 1.407 70.190 68.868 -0.141 0.000 1.165 101 T HN 0.749 nan 8.240 nan 0.000 0.482 102 A N 2.792 125.531 122.820 -0.135 0.000 2.288 102 A HA 0.529 4.849 4.320 -0.000 0.000 0.320 102 A C 1.033 178.560 177.584 -0.094 0.000 1.217 102 A CA -0.673 51.289 52.037 -0.126 0.000 0.840 102 A CB 0.455 19.370 19.000 -0.142 0.000 1.179 102 A HN 0.887 nan 8.150 nan 0.000 0.504 103 N N 1.637 120.289 118.700 -0.080 0.000 2.336 103 N HA -0.121 4.619 4.740 -0.000 0.000 0.177 103 N C 1.215 176.694 175.510 -0.051 0.000 1.018 103 N CA 1.274 54.288 53.050 -0.060 0.000 0.878 103 N CB -0.191 38.265 38.487 -0.050 0.000 0.997 103 N HN 0.636 nan 8.380 nan 0.000 0.433 104 S N 0.793 116.459 115.700 -0.055 0.000 2.653 104 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 104 S C 0.213 174.789 174.600 -0.039 0.000 0.970 104 S CA -0.033 58.141 58.200 -0.044 0.000 0.947 104 S CB -0.667 62.505 63.200 -0.047 0.000 0.771 104 S HN 0.203 nan 8.310 nan 0.000 0.538 105 D N 2.291 122.662 120.400 -0.048 0.000 2.078 105 D HA -0.145 4.495 4.640 -0.000 0.000 0.211 105 D C 0.118 176.396 176.300 -0.037 0.000 1.155 105 D CA 1.598 55.569 54.000 -0.048 0.000 0.993 105 D CB -1.007 39.763 40.800 -0.050 0.000 2.201 105 D HN 0.219 nan 8.370 nan 0.000 0.597 106 T N 0.042 114.563 114.554 -0.054 0.000 2.076 106 T HA -0.171 4.179 4.350 -0.000 0.000 0.264 106 T C -0.458 174.249 174.700 0.013 0.000 1.051 106 T CA 1.419 63.468 62.100 -0.085 0.000 2.020 106 T CB -0.979 67.845 68.868 -0.073 0.000 1.024 106 T HN 0.611 nan 8.240 nan 0.000 0.392 107 H N -0.922 118.137 119.070 -0.018 0.000 3.101 107 H HA -0.098 4.458 4.556 -0.000 0.000 0.350 107 H C -0.533 174.782 175.328 -0.021 0.000 1.157 107 H CA -0.230 55.806 56.048 -0.021 0.000 1.141 107 H CB -1.444 28.301 29.762 -0.027 0.000 1.595 107 H HN 0.467 nan 8.280 nan 0.000 0.406 108 L N 3.060 124.315 121.223 0.053 0.000 2.257 108 L HA 0.379 4.719 4.340 -0.000 0.000 0.290 108 L C 0.245 177.137 176.870 0.036 0.000 1.044 108 L CA -0.384 54.477 54.840 0.035 0.000 0.810 108 L CB 0.702 42.769 42.059 0.013 0.000 1.193 108 L HN 0.214 nan 8.230 nan 0.000 0.425 109 L N 2.073 123.314 121.223 0.030 0.000 2.569 109 L HA 0.433 4.773 4.340 -0.000 0.000 0.247 109 L C 0.634 177.524 176.870 0.035 0.000 1.135 109 L CA -0.536 54.316 54.840 0.021 0.000 0.812 109 L CB 0.215 42.277 42.059 0.006 0.000 1.431 109 L HN 0.651 nan 8.230 nan 0.000 0.499 110 Q N -0.163 119.665 119.800 0.046 0.000 2.492 110 Q HA 0.331 4.671 4.340 -0.000 0.000 0.238 110 Q C 0.784 176.815 176.000 0.051 0.000 1.045 110 Q CA 0.201 56.038 55.803 0.057 0.000 0.934 110 Q CB 0.308 29.089 28.738 0.071 0.000 1.276 110 Q HN 0.795 nan 8.270 nan 0.000 0.521 111 G N 0.881 109.707 108.800 0.043 0.000 4.236 111 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.222 111 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.222 111 G C -0.047 174.865 174.900 0.021 0.000 1.354 111 G CA 0.491 45.608 45.100 0.028 0.000 0.966 111 G HN 0.744 nan 8.290 nan 0.000 0.624 112 Q N 2.576 122.388 119.800 0.020 0.000 2.841 112 Q HA 0.309 4.649 4.340 -0.000 0.000 0.330 112 Q C 0.728 176.729 176.000 0.001 0.000 1.136 112 Q CA 0.269 56.078 55.803 0.009 0.000 1.129 112 Q CB -0.066 28.678 28.738 0.010 0.000 0.992 112 Q HN 0.602 nan 8.270 nan 0.000 0.411 113 S N 1.866 117.563 115.700 -0.006 0.000 2.542 113 S HA 0.020 4.490 4.470 -0.000 0.000 0.287 113 S C -0.109 174.469 174.600 -0.037 0.000 1.315 113 S CA -0.215 57.975 58.200 -0.017 0.000 1.037 113 S CB 0.346 63.534 63.200 -0.020 0.000 0.822 113 S HN 0.475 nan 8.310 nan 0.000 0.513 114 L N 2.298 123.484 121.223 -0.062 0.000 2.341 114 L HA 0.692 5.032 4.340 -0.000 0.000 0.278 114 L C -0.003 176.792 176.870 -0.126 0.000 1.005 114 L CA -0.110 54.665 54.840 -0.108 0.000 0.818 114 L CB 1.917 43.876 42.059 -0.166 0.000 1.259 114 L HN 0.762 nan 8.230 nan 0.000 0.418 115 T N 3.674 118.154 114.554 -0.123 0.000 2.856 115 T HA 0.686 5.036 4.350 -0.000 0.000 0.283 115 T C -0.812 173.806 174.700 -0.137 0.000 1.008 115 T CA -0.622 61.410 62.100 -0.113 0.000 0.997 115 T CB 1.041 69.863 68.868 -0.077 0.000 0.992 115 T HN 0.603 nan 8.240 nan 0.000 0.454 116 L N 3.645 124.788 121.223 -0.132 0.000 2.427 116 L HA 0.414 4.754 4.340 -0.000 0.000 0.264 116 L C -0.009 176.801 176.870 -0.099 0.000 0.989 116 L CA -0.676 54.081 54.840 -0.138 0.000 0.865 116 L CB 1.856 43.812 42.059 -0.173 0.000 1.209 116 L HN 0.828 nan 8.230 nan 0.000 0.430 117 T N 2.775 117.274 114.554 -0.091 0.000 2.934 117 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 117 T C -0.551 174.107 174.700 -0.070 0.000 1.005 117 T CA -0.441 61.620 62.100 -0.064 0.000 1.041 117 T CB 2.415 71.251 68.868 -0.053 0.000 1.042 117 T HN 0.207 nan 8.240 nan 0.000 0.505 118 L N 1.181 122.382 121.223 -0.035 0.000 2.354 118 L HA 0.516 4.856 4.340 -0.000 0.000 0.269 118 L C -0.520 176.366 176.870 0.026 0.000 1.005 118 L CA -0.516 54.316 54.840 -0.014 0.000 0.819 118 L CB 1.970 44.046 42.059 0.028 0.000 1.311 118 L HN 0.599 nan 8.230 nan 0.000 0.423 119 E N 1.770 121.995 120.200 0.041 0.000 2.204 119 E HA 0.704 5.054 4.350 -0.000 0.000 0.276 119 E C -1.300 175.362 176.600 0.103 0.000 0.974 119 E CA -0.481 55.945 56.400 0.042 0.000 0.815 119 E CB 1.698 31.401 29.700 0.006 0.000 1.119 119 E HN 0.616 nan 8.360 nan 0.000 0.393 120 S N 2.119 117.834 115.700 0.024 0.000 2.567 120 S HA 0.354 4.824 4.470 -0.000 0.000 0.270 120 S C -2.739 171.781 174.600 -0.132 0.000 1.152 120 S CA -1.190 56.951 58.200 -0.098 0.000 0.835 120 S CB 1.535 64.817 63.200 0.136 0.000 1.115 120 S HN 0.423 nan 8.310 nan 0.000 0.459 121 P HA 0.175 nan 4.420 nan 0.000 0.264 121 P C -2.193 175.071 177.300 -0.060 0.000 1.193 121 P CA -0.705 62.314 63.100 -0.134 0.000 0.763 121 P CB -0.263 31.340 31.700 -0.161 0.000 0.810 122 P HA -0.209 nan 4.420 nan 0.000 0.222 122 P C 0.876 178.177 177.300 0.002 0.000 1.147 122 P CA 2.001 65.093 63.100 -0.012 0.000 0.958 122 P CB -0.356 31.337 31.700 -0.013 0.000 0.788 123 G N -1.221 107.579 108.800 0.000 0.000 2.547 123 G HA2 0.518 4.478 3.960 -0.000 0.000 0.327 123 G HA3 0.518 4.478 3.960 -0.000 0.000 0.327 123 G C -0.790 174.124 174.900 0.023 0.000 1.118 123 G CA 0.047 45.156 45.100 0.014 0.000 1.022 123 G HN 0.112 nan 8.290 nan 0.000 0.464 124 S N -0.010 115.718 115.700 0.047 0.000 2.715 124 S HA 0.431 4.901 4.470 -0.000 0.000 0.290 124 S C -0.851 173.826 174.600 0.127 0.000 1.008 124 S CA -0.654 57.597 58.200 0.085 0.000 0.850 124 S CB 1.479 64.728 63.200 0.082 0.000 1.059 124 S HN 0.542 nan 8.310 nan 0.000 0.455 125 S N 2.792 118.580 115.700 0.147 0.000 2.500 125 S HA 0.848 5.318 4.470 -0.000 0.000 0.301 125 S C -2.574 172.119 174.600 0.155 0.000 1.092 125 S CA -1.095 57.189 58.200 0.140 0.000 1.030 125 S CB 1.714 64.962 63.200 0.081 0.000 1.031 125 S HN 0.514 nan 8.310 nan 0.000 0.483 126 P HA 0.686 nan 4.420 nan 0.000 0.309 126 P C -1.277 176.016 177.300 -0.012 0.000 1.302 126 P CA -0.777 62.327 63.100 0.007 0.000 0.835 126 P CB 1.706 33.410 31.700 0.007 0.000 1.324 127 S N -1.300 114.364 115.700 -0.061 0.000 2.548 127 S HA 0.456 4.926 4.470 -0.000 0.000 0.278 127 S C -1.315 173.259 174.600 -0.043 0.000 1.150 127 S CA -0.409 57.772 58.200 -0.032 0.000 0.907 127 S CB 0.908 64.095 63.200 -0.023 0.000 1.108 127 S HN 0.203 nan 8.310 nan 0.000 0.459 128 V N 3.776 123.680 119.914 -0.017 0.000 2.540 128 V HA 0.567 4.687 4.120 -0.000 0.000 0.302 128 V C -0.253 175.852 176.094 0.018 0.000 1.035 128 V CA -0.639 61.659 62.300 -0.003 0.000 0.873 128 V CB 1.738 33.561 31.823 0.001 0.000 0.992 128 V HN 0.839 nan 8.190 nan 0.000 0.428 129 Q N 3.805 123.624 119.800 0.032 0.000 2.506 129 Q HA 0.306 4.646 4.340 -0.000 0.000 0.242 129 Q C -1.187 174.867 176.000 0.091 0.000 1.060 129 Q CA -0.464 55.370 55.803 0.051 0.000 0.826 129 Q CB 1.020 29.778 28.738 0.034 0.000 1.169 129 Q HN 0.829 nan 8.270 nan 0.000 0.521 130 C N 4.965 124.341 119.300 0.127 0.000 2.383 130 C HA 0.361 4.821 4.460 -0.000 0.000 0.350 130 C C 0.512 175.693 174.990 0.318 0.000 1.173 130 C CA -0.582 58.572 59.018 0.227 0.000 1.645 130 C CB -1.055 26.802 27.740 0.195 0.000 2.221 130 C HN 0.701 nan 8.230 nan 0.000 0.528 131 R N 2.433 123.069 120.500 0.226 0.000 2.389 131 R HA 0.313 4.653 4.340 -0.000 0.000 0.295 131 R C 0.479 176.802 176.300 0.038 0.000 1.075 131 R CA 0.060 56.225 56.100 0.108 0.000 1.005 131 R CB 0.740 31.067 30.300 0.045 0.000 0.987 131 R HN 0.747 nan 8.270 nan 0.000 0.452 132 S N 4.017 119.536 115.700 -0.303 0.000 2.645 132 S HA 0.145 4.615 4.470 -0.000 0.000 0.266 132 S C -1.743 172.465 174.600 -0.653 0.000 1.258 132 S CA -1.293 56.284 58.200 -1.039 0.000 0.990 132 S CB 0.911 63.481 63.200 -1.050 0.000 0.967 132 S HN 0.426 nan 8.310 nan 0.000 0.556 133 P HA 0.081 nan 4.420 nan 0.000 0.223 133 P C 0.081 177.221 177.300 -0.267 0.000 1.151 133 P CA 0.843 63.719 63.100 -0.373 0.000 0.787 133 P CB 0.219 31.727 31.700 -0.321 0.000 0.788 134 R N -0.836 119.473 120.500 -0.318 0.000 2.539 134 R HA 0.471 4.811 4.340 -0.000 0.000 0.295 134 R C 0.398 176.580 176.300 -0.196 0.000 1.138 134 R CA -0.005 55.975 56.100 -0.199 0.000 0.936 134 R CB 1.123 31.336 30.300 -0.145 0.000 1.182 134 R HN 0.111 nan 8.270 nan 0.000 0.459 135 G N 2.950 111.663 108.800 -0.144 0.000 2.547 135 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.271 135 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.271 135 G C -0.632 174.199 174.900 -0.114 0.000 1.209 135 G CA 0.160 45.196 45.100 -0.106 0.000 0.959 135 G HN 0.696 nan 8.290 nan 0.000 0.563 136 K N 0.463 120.821 120.400 -0.070 0.000 5.128 136 K HA -0.200 4.120 4.320 -0.000 0.000 0.371 136 K C 0.074 176.677 176.600 0.005 0.000 0.786 136 K CA 1.033 57.304 56.287 -0.026 0.000 0.982 136 K CB -1.257 31.235 32.500 -0.013 0.000 1.986 136 K HN 0.585 nan 8.250 nan 0.000 0.340 137 N N 4.487 123.199 118.700 0.021 0.000 3.178 137 N HA 0.031 4.771 4.740 -0.000 0.000 0.300 137 N C 0.238 175.792 175.510 0.074 0.000 1.242 137 N CA -0.043 53.034 53.050 0.044 0.000 1.192 137 N CB 0.113 38.615 38.487 0.025 0.000 1.463 137 N HN 0.457 nan 8.380 nan 0.000 0.539 138 I N 2.413 123.060 120.570 0.128 0.000 2.587 138 I HA -0.093 4.077 4.170 -0.000 0.000 0.284 138 I C -0.115 176.064 176.117 0.105 0.000 1.134 138 I CA 0.048 61.427 61.300 0.132 0.000 1.410 138 I CB 0.273 38.395 38.000 0.204 0.000 1.392 138 I HN 0.355 nan 8.210 nan 0.000 0.545 139 Q N 6.205 126.043 119.800 0.063 0.000 2.484 139 Q HA 0.935 5.275 4.340 -0.000 0.000 0.285 139 Q C -0.565 175.451 176.000 0.026 0.000 1.097 139 Q CA -0.884 54.945 55.803 0.043 0.000 0.802 139 Q CB 2.063 30.821 28.738 0.033 0.000 1.444 139 Q HN 0.660 nan 8.270 nan 0.000 0.429 140 G N -0.816 107.993 108.800 0.014 0.000 2.664 140 G HA2 0.617 4.577 3.960 -0.000 0.000 0.303 140 G HA3 0.617 4.577 3.960 -0.000 0.000 0.303 140 G C -0.740 174.162 174.900 0.003 0.000 1.243 140 G CA -0.302 44.801 45.100 0.006 0.000 0.826 140 G HN 0.780 nan 8.290 nan 0.000 0.498 141 G N -0.624 108.177 108.800 0.001 0.000 3.329 141 G HA2 0.423 4.383 3.960 -0.000 0.000 0.180 141 G HA3 0.423 4.383 3.960 -0.000 0.000 0.180 141 G C 0.998 175.901 174.900 0.005 0.000 1.640 141 G CA 0.541 45.644 45.100 0.005 0.000 1.018 141 G HN 0.845 nan 8.290 nan 0.000 0.581 142 K N -0.980 119.427 120.400 0.012 0.000 2.525 142 K HA 0.251 4.571 4.320 -0.000 0.000 0.192 142 K C -0.061 176.539 176.600 -0.000 0.000 1.029 142 K CA 0.612 56.911 56.287 0.019 0.000 1.029 142 K CB 0.212 32.729 32.500 0.029 0.000 0.814 142 K HN 0.149 nan 8.250 nan 0.000 0.503 143 T N 1.048 115.596 114.554 -0.011 0.000 3.097 143 T HA 0.478 4.828 4.350 -0.000 0.000 0.332 143 T C -2.223 172.460 174.700 -0.029 0.000 1.269 143 T CA -0.961 61.123 62.100 -0.026 0.000 1.076 143 T CB 1.273 70.126 68.868 -0.025 0.000 1.209 143 T HN 0.329 nan 8.240 nan 0.000 0.474 144 L N 0.705 121.901 121.223 -0.046 0.000 2.543 144 L HA 0.953 5.293 4.340 -0.000 0.000 0.265 144 L C -0.861 175.963 176.870 -0.078 0.000 0.945 144 L CA -0.519 54.294 54.840 -0.045 0.000 0.869 144 L CB 2.148 44.188 42.059 -0.031 0.000 1.294 144 L HN 0.440 nan 8.230 nan 0.000 0.405 145 S N 1.836 117.495 115.700 -0.068 0.000 2.513 145 S HA 0.762 5.232 4.470 -0.000 0.000 0.299 145 S C -0.398 174.156 174.600 -0.077 0.000 1.087 145 S CA -0.764 57.381 58.200 -0.091 0.000 1.012 145 S CB 2.212 65.371 63.200 -0.067 0.000 1.044 145 S HN 0.538 nan 8.310 nan 0.000 0.485 146 V N 3.706 123.552 119.914 -0.113 0.000 2.432 146 V HA 0.187 4.307 4.120 -0.000 0.000 0.271 146 V C 1.357 177.444 176.094 -0.012 0.000 1.046 146 V CA -0.180 62.092 62.300 -0.047 0.000 0.945 146 V CB 0.625 32.397 31.823 -0.085 0.000 0.992 146 V HN 1.140 nan 8.190 nan 0.000 0.471 147 S N 5.772 121.483 115.700 0.019 0.000 2.298 147 S HA -0.168 4.302 4.470 -0.000 0.000 0.261 147 S C 0.458 175.069 174.600 0.019 0.000 1.347 147 S CA 0.612 58.821 58.200 0.016 0.000 2.316 147 S CB -0.415 62.798 63.200 0.023 0.000 0.678 147 S HN 0.816 nan 8.310 nan 0.000 0.358 148 Q N 1.331 121.148 119.800 0.029 0.000 2.340 148 Q HA 0.653 4.993 4.340 -0.000 0.000 0.259 148 Q C -1.361 174.671 176.000 0.052 0.000 0.964 148 Q CA -0.354 55.467 55.803 0.030 0.000 0.900 148 Q CB 0.818 29.567 28.738 0.019 0.000 1.228 148 Q HN 0.414 nan 8.270 nan 0.000 0.449 149 L N 2.632 123.891 121.223 0.060 0.000 2.534 149 L HA 0.048 4.388 4.340 -0.000 0.000 0.271 149 L C 0.387 177.304 176.870 0.078 0.000 1.178 149 L CA 0.782 55.676 54.840 0.090 0.000 0.907 149 L CB 0.070 42.185 42.059 0.094 0.000 1.164 149 L HN 0.573 nan 8.230 nan 0.000 0.482 150 E N 2.918 123.167 120.200 0.081 0.000 2.166 150 E HA 0.110 4.459 4.350 -0.000 0.000 0.275 150 E C 0.580 177.218 176.600 0.063 0.000 0.941 150 E CA -0.788 55.649 56.400 0.062 0.000 0.784 150 E CB 1.695 31.424 29.700 0.048 0.000 1.115 150 E HN 0.449 nan 8.360 nan 0.000 0.399 151 L N 4.326 125.584 121.223 0.059 0.000 2.318 151 L HA -0.398 3.942 4.340 -0.000 0.000 0.240 151 L C 2.331 179.226 176.870 0.043 0.000 1.135 151 L CA 3.042 57.914 54.840 0.054 0.000 0.850 151 L CB -1.295 40.796 42.059 0.054 0.000 0.970 151 L HN 0.836 nan 8.230 nan 0.000 0.442 152 Q N -1.156 118.659 119.800 0.025 0.000 2.389 152 Q HA -0.195 4.144 4.340 -0.000 0.000 0.213 152 Q C 0.975 176.957 176.000 -0.031 0.000 0.989 152 Q CA 2.103 57.904 55.803 -0.003 0.000 0.891 152 Q CB -0.635 28.095 28.738 -0.014 0.000 0.923 152 Q HN 0.586 nan 8.270 nan 0.000 0.455 153 D N 0.449 120.851 120.400 0.004 0.000 2.413 153 D HA 0.107 4.747 4.640 -0.000 0.000 0.237 153 D C -0.617 175.740 176.300 0.097 0.000 1.171 153 D CA 0.147 54.148 54.000 0.002 0.000 0.839 153 D CB 0.217 41.106 40.800 0.148 0.000 0.950 153 D HN 0.163 nan 8.370 nan 0.000 0.499 154 S N -0.716 115.015 115.700 0.051 0.000 2.541 154 S HA 0.629 5.099 4.470 -0.000 0.000 0.283 154 S C 0.657 175.285 174.600 0.048 0.000 1.196 154 S CA 0.050 58.300 58.200 0.084 0.000 1.062 154 S CB 1.481 64.715 63.200 0.057 0.000 1.009 154 S HN 0.464 nan 8.310 nan 0.000 0.502 155 G N 2.319 111.176 108.800 0.095 0.000 2.113 155 G HA2 0.042 4.002 3.960 -0.000 0.000 0.082 155 G HA3 0.042 4.002 3.960 -0.000 0.000 0.082 155 G C -0.649 174.323 174.900 0.119 0.000 1.155 155 G CA -0.173 44.965 45.100 0.063 0.000 1.241 155 G HN 0.780 nan 8.290 nan 0.000 0.453 156 T N 0.884 115.487 114.554 0.082 0.000 2.881 156 T HA 0.574 4.924 4.350 -0.000 0.000 0.291 156 T C -0.897 173.889 174.700 0.142 0.000 0.990 156 T CA -0.222 61.963 62.100 0.142 0.000 0.976 156 T CB 0.690 69.605 68.868 0.078 0.000 0.970 156 T HN 0.435 nan 8.240 nan 0.000 0.438 157 W N 1.968 123.277 121.300 0.016 0.000 1.998 157 W HA 0.539 5.199 4.660 -0.000 0.000 0.441 157 W C 0.504 177.039 176.519 0.028 0.000 1.859 157 W CA -0.384 56.972 57.345 0.018 0.000 2.071 157 W CB 0.484 29.955 29.460 0.017 0.000 1.474 157 W HN 0.426 nan 8.180 nan 0.000 0.734 158 T N -0.080 114.657 114.554 0.304 0.000 3.523 158 T HA 0.234 4.584 4.350 -0.000 0.000 0.265 158 T C -0.912 173.897 174.700 0.182 0.000 0.986 158 T CA -0.888 61.325 62.100 0.187 0.000 1.616 158 T CB -1.076 67.852 68.868 0.099 0.000 0.803 158 T HN 0.292 nan 8.240 nan 0.000 0.603 159 C N 2.110 121.538 119.300 0.212 0.000 2.652 159 C HA 0.658 5.118 4.460 -0.000 0.000 0.412 159 C C 1.036 176.118 174.990 0.154 0.000 1.294 159 C CA -0.313 58.811 59.018 0.176 0.000 2.127 159 C CB -0.133 27.699 27.740 0.154 0.000 2.691 159 C HN 0.740 nan 8.230 nan 0.000 0.615 160 T N 1.805 116.415 114.554 0.094 0.000 2.809 160 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 160 T C -0.379 174.319 174.700 -0.002 0.000 0.992 160 T CA -0.302 61.816 62.100 0.029 0.000 0.957 160 T CB 1.240 70.105 68.868 -0.006 0.000 0.942 160 T HN 0.427 nan 8.240 nan 0.000 0.439 161 V N 5.218 125.102 119.914 -0.049 0.000 2.338 161 V HA 0.262 4.382 4.120 -0.000 0.000 0.255 161 V C 0.288 176.202 176.094 -0.302 0.000 1.082 161 V CA -0.529 61.651 62.300 -0.200 0.000 0.951 161 V CB 0.267 31.897 31.823 -0.321 0.000 1.102 161 V HN 0.711 nan 8.190 nan 0.000 0.489 162 L N 5.820 126.926 121.223 -0.196 0.000 2.290 162 L HA 0.614 4.954 4.340 -0.000 0.000 0.284 162 L C -0.200 176.579 176.870 -0.151 0.000 1.078 162 L CA -0.139 54.615 54.840 -0.143 0.000 0.815 162 L CB 1.330 43.347 42.059 -0.071 0.000 1.162 162 L HN 0.867 nan 8.230 nan 0.000 0.435 163 Q N 6.192 125.931 119.800 -0.101 0.000 2.313 163 Q HA 0.367 4.707 4.340 -0.000 0.000 0.260 163 Q C -0.609 175.416 176.000 0.041 0.000 0.972 163 Q CA -0.483 55.321 55.803 0.001 0.000 0.886 163 Q CB 1.168 29.963 28.738 0.096 0.000 1.373 163 Q HN 0.846 nan 8.270 nan 0.000 0.416 164 N N 1.533 120.261 118.700 0.048 0.000 6.506 164 N HA -0.262 4.478 4.740 -0.000 0.000 0.396 164 N C -0.312 175.213 175.510 0.025 0.000 0.931 164 N CA 1.187 54.264 53.050 0.046 0.000 1.204 164 N CB -0.379 38.147 38.487 0.066 0.000 0.829 164 N HN 0.972 nan 8.380 nan 0.000 0.351 165 Q N 0.642 120.457 119.800 0.025 0.000 2.373 165 Q HA 0.117 4.457 4.340 -0.000 0.000 0.206 165 Q C -0.427 175.580 176.000 0.010 0.000 0.942 165 Q CA 0.755 56.567 55.803 0.015 0.000 0.953 165 Q CB 0.237 28.985 28.738 0.016 0.000 1.022 165 Q HN 0.202 nan 8.270 nan 0.000 0.502 166 K N 1.358 121.767 120.400 0.014 0.000 2.238 166 K HA 0.486 4.806 4.320 -0.000 0.000 0.239 166 K C -1.184 175.406 176.600 -0.016 0.000 0.987 166 K CA -0.562 55.730 56.287 0.008 0.000 0.857 166 K CB 1.703 34.223 32.500 0.033 0.000 1.154 166 K HN 0.234 nan 8.250 nan 0.000 0.439 167 K N -1.621 118.756 120.400 -0.039 0.000 2.578 167 K HA 0.616 4.936 4.320 -0.000 0.000 0.269 167 K C -1.672 174.861 176.600 -0.112 0.000 0.941 167 K CA -1.059 55.176 56.287 -0.087 0.000 0.847 167 K CB 1.913 34.369 32.500 -0.074 0.000 1.397 167 K HN 0.212 nan 8.250 nan 0.000 0.422 168 V N 1.588 121.392 119.914 -0.183 0.000 2.444 168 V HA 0.299 4.419 4.120 -0.000 0.000 0.294 168 V C -0.730 175.151 176.094 -0.355 0.000 1.022 168 V CA -0.381 61.761 62.300 -0.262 0.000 0.850 168 V CB 1.525 33.189 31.823 -0.265 0.000 0.992 168 V HN 0.896 nan 8.190 nan 0.000 0.426 169 E N 4.139 124.148 120.200 -0.317 0.000 2.374 169 E HA 0.438 4.788 4.350 -0.000 0.000 0.260 169 E C -1.612 174.734 176.600 -0.423 0.000 1.101 169 E CA -0.209 56.053 56.400 -0.230 0.000 0.907 169 E CB 1.051 30.675 29.700 -0.126 0.000 1.014 169 E HN 0.586 nan 8.360 nan 0.000 0.427 170 F N 1.250 121.207 119.950 0.011 0.000 2.574 170 F HA 0.308 4.835 4.527 -0.000 0.000 0.313 170 F C -0.186 175.636 175.800 0.037 0.000 1.130 170 F CA -0.721 57.291 58.000 0.020 0.000 0.936 170 F CB 1.764 40.770 39.000 0.010 0.000 1.219 170 F HN 0.138 nan 8.300 nan 0.000 0.445 171 K N 4.097 124.652 120.400 0.259 0.000 2.357 171 K HA 0.461 4.781 4.320 -0.000 0.000 0.251 171 K C -1.133 175.557 176.600 0.150 0.000 1.069 171 K CA -0.577 55.814 56.287 0.173 0.000 0.994 171 K CB 1.029 33.597 32.500 0.115 0.000 1.411 171 K HN 0.454 nan 8.250 nan 0.000 0.450 172 I N 2.209 122.864 120.570 0.141 0.000 2.437 172 I HA 0.146 4.316 4.170 -0.000 0.000 0.298 172 I C -0.811 175.373 176.117 0.112 0.000 0.984 172 I CA -0.502 60.841 61.300 0.071 0.000 1.214 172 I CB 1.464 39.452 38.000 -0.021 0.000 1.365 172 I HN 0.417 nan 8.210 nan 0.000 0.469 173 D N 7.451 127.894 120.400 0.072 0.000 2.233 173 D HA 0.553 5.193 4.640 -0.000 0.000 0.240 173 D C -0.823 175.527 176.300 0.083 0.000 1.074 173 D CA 0.298 54.359 54.000 0.101 0.000 0.838 173 D CB 1.160 41.995 40.800 0.059 0.000 1.124 173 D HN 0.238 nan 8.370 nan 0.000 0.475 174 I N 2.296 122.973 120.570 0.177 0.000 2.503 174 I HA 0.216 4.386 4.170 -0.000 0.000 0.282 174 I C -1.031 175.189 176.117 0.170 0.000 1.059 174 I CA -0.794 60.593 61.300 0.145 0.000 1.081 174 I CB 1.928 40.009 38.000 0.134 0.000 1.210 174 I HN 0.051 nan 8.210 nan 0.000 0.450 175 V N 7.595 127.562 119.914 0.089 0.000 2.384 175 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 175 V C -0.224 175.907 176.094 0.061 0.000 1.020 175 V CA -0.538 61.806 62.300 0.074 0.000 0.850 175 V CB 2.197 34.047 31.823 0.044 0.000 0.987 175 V HN 0.365 nan 8.190 nan 0.000 0.436 176 V N 7.867 127.824 119.914 0.071 0.000 2.364 176 V HA 0.346 4.466 4.120 -0.000 0.000 0.272 176 V C 0.254 176.371 176.094 0.038 0.000 1.036 176 V CA -0.343 61.993 62.300 0.059 0.000 0.880 176 V CB 1.337 33.204 31.823 0.074 0.000 0.991 176 V HN 0.704 nan 8.190 nan 0.000 0.460 177 L N 5.093 126.329 121.223 0.022 0.000 2.417 177 L HA 0.766 5.106 4.340 -0.000 0.000 0.268 177 L C 0.269 177.124 176.870 -0.026 0.000 1.158 177 L CA 0.329 55.162 54.840 -0.012 0.000 0.819 177 L CB 1.187 43.231 42.059 -0.024 0.000 1.112 177 L HN 0.903 nan 8.230 nan 0.000 0.458 178 A N 2.878 125.656 122.820 -0.071 0.000 2.481 178 A HA 0.367 4.687 4.320 -0.000 0.000 0.295 178 A C -1.373 176.169 177.584 -0.071 0.000 0.986 178 A CA -0.758 51.250 52.037 -0.048 0.000 0.617 178 A CB -0.068 18.964 19.000 0.054 0.000 1.364 178 A HN 0.468 nan 8.150 nan 0.000 0.452 179 F N 0.156 120.133 119.950 0.045 0.000 2.435 179 F HA 0.468 4.995 4.527 -0.000 0.000 0.316 179 F C 1.578 177.414 175.800 0.060 0.000 1.220 179 F CA 0.964 58.998 58.000 0.057 0.000 1.241 179 F CB 0.866 39.902 39.000 0.059 0.000 1.234 179 F HN 0.654 nan 8.300 nan 0.000 0.569 180 Q N 1.673 121.658 119.800 0.308 0.000 2.237 180 Q HA 0.236 4.576 4.340 -0.000 0.000 0.252 180 Q C -1.268 174.835 176.000 0.172 0.000 0.877 180 Q CA -0.012 55.904 55.803 0.189 0.000 1.011 180 Q CB -0.110 28.724 28.738 0.160 0.000 1.118 180 Q HN 0.444 nan 8.270 nan 0.000 0.458 181 K N -1.998 118.508 120.400 0.177 0.000 2.653 181 K HA 0.621 4.941 4.320 -0.000 0.000 0.274 181 K C -1.128 175.519 176.600 0.078 0.000 0.974 181 K CA 0.361 56.717 56.287 0.116 0.000 0.868 181 K CB 0.276 32.848 32.500 0.121 0.000 1.408 181 K HN -0.081 nan 8.250 nan 0.000 0.397 182 A N 0.962 123.810 122.820 0.046 0.000 1.997 182 A HA 0.325 4.645 4.320 -0.000 0.000 0.214 182 A C -0.017 177.555 177.584 -0.020 0.000 1.458 182 A CA 0.888 52.934 52.037 0.015 0.000 0.692 182 A CB -0.121 18.890 19.000 0.017 0.000 1.145 182 A HN 0.450 nan 8.150 nan 0.000 0.515 183 S N 0.760 116.455 115.700 -0.009 0.000 2.594 183 S HA 0.551 5.021 4.470 -0.000 0.000 0.322 183 S C -0.649 173.953 174.600 0.002 0.000 1.085 183 S CA -0.552 57.633 58.200 -0.025 0.000 1.116 183 S CB 0.474 63.659 63.200 -0.025 0.000 0.979 183 S HN 0.379 nan 8.310 nan 0.000 0.465 184 S N 4.495 120.206 115.700 0.018 0.000 2.586 184 S HA 0.626 5.096 4.470 -0.000 0.000 0.274 184 S C -0.362 174.258 174.600 0.034 0.000 1.281 184 S CA -0.552 57.688 58.200 0.066 0.000 1.035 184 S CB 0.757 64.060 63.200 0.171 0.000 0.962 184 S HN 0.748 nan 8.310 nan 0.000 0.512 185 I N 2.112 122.676 120.570 -0.010 0.000 2.656 185 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 185 I C -1.487 174.494 176.117 -0.227 0.000 1.144 185 I CA -0.629 60.594 61.300 -0.129 0.000 1.038 185 I CB 1.965 39.827 38.000 -0.230 0.000 1.244 185 I HN 0.330 nan 8.210 nan 0.000 0.420 186 V N 6.508 126.292 119.914 -0.216 0.000 2.588 186 V HA 0.411 4.531 4.120 -0.000 0.000 0.304 186 V C -1.343 174.612 176.094 -0.231 0.000 1.042 186 V CA -0.706 61.472 62.300 -0.203 0.000 0.877 186 V CB 1.688 33.431 31.823 -0.134 0.000 0.996 186 V HN 0.405 nan 8.190 nan 0.000 0.425 187 Y N 4.337 124.673 120.300 0.061 0.000 2.369 187 Y HA 0.703 5.253 4.550 -0.000 0.000 0.337 187 Y C 0.410 176.337 175.900 0.045 0.000 0.961 187 Y CA -0.658 57.483 58.100 0.068 0.000 1.186 187 Y CB 1.168 39.663 38.460 0.057 0.000 1.139 187 Y HN 0.475 nan 8.280 nan 0.000 0.494 188 K N 1.640 122.154 120.400 0.191 0.000 2.283 188 K HA 0.916 5.236 4.320 -0.000 0.000 0.257 188 K C -0.716 175.961 176.600 0.128 0.000 1.066 188 K CA -1.134 55.222 56.287 0.115 0.000 0.891 188 K CB 1.307 33.833 32.500 0.044 0.000 1.438 188 K HN 0.375 nan 8.250 nan 0.000 0.464 189 K N 0.483 120.938 120.400 0.092 0.000 2.469 189 K HA 0.265 4.585 4.320 -0.000 0.000 0.254 189 K C -0.494 176.155 176.600 0.081 0.000 0.939 189 K CA -0.709 55.641 56.287 0.104 0.000 0.812 189 K CB 1.238 33.791 32.500 0.087 0.000 1.301 189 K HN 0.684 nan 8.250 nan 0.000 0.433 190 E N 0.636 120.899 120.200 0.105 0.000 3.359 190 E HA -0.036 4.314 4.350 -0.000 0.000 0.219 190 E C 1.012 177.634 176.600 0.038 0.000 1.052 190 E CA 1.956 58.403 56.400 0.078 0.000 0.906 190 E CB -1.158 28.603 29.700 0.102 0.000 0.939 190 E HN 1.135 nan 8.360 nan 0.000 0.543 191 G N 3.802 112.606 108.800 0.007 0.000 3.330 191 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.197 191 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.197 191 G C -0.352 174.530 174.900 -0.030 0.000 1.284 191 G CA -0.221 44.870 45.100 -0.014 0.000 0.921 191 G HN 0.514 nan 8.290 nan 0.000 0.466 192 E N 2.602 122.792 120.200 -0.016 0.000 2.820 192 E HA 0.262 4.612 4.350 -0.000 0.000 0.251 192 E C 0.422 176.985 176.600 -0.062 0.000 0.944 192 E CA 0.535 56.918 56.400 -0.029 0.000 0.955 192 E CB 0.220 29.914 29.700 -0.011 0.000 0.904 192 E HN 0.677 nan 8.360 nan 0.000 0.513 193 Q N 1.188 120.944 119.800 -0.073 0.000 2.262 193 Q HA 0.207 4.547 4.340 -0.000 0.000 0.272 193 Q C -0.529 175.394 176.000 -0.128 0.000 1.076 193 Q CA -0.353 55.389 55.803 -0.100 0.000 0.905 193 Q CB 0.479 29.163 28.738 -0.090 0.000 1.182 193 Q HN 0.172 nan 8.270 nan 0.000 0.390 194 V N 2.392 122.205 119.914 -0.168 0.000 2.775 194 V HA 0.246 4.366 4.120 -0.000 0.000 0.299 194 V C 0.439 176.332 176.094 -0.334 0.000 1.062 194 V CA -0.344 61.788 62.300 -0.280 0.000 1.063 194 V CB 1.124 32.742 31.823 -0.342 0.000 0.994 194 V HN 0.862 nan 8.190 nan 0.000 0.483 195 E N 1.435 121.357 120.200 -0.463 0.000 2.392 195 E HA 0.665 5.015 4.350 -0.000 0.000 0.269 195 E C -1.920 174.336 176.600 -0.572 0.000 0.924 195 E CA -0.483 55.714 56.400 -0.339 0.000 0.784 195 E CB 2.564 32.150 29.700 -0.190 0.000 1.292 195 E HN 0.462 nan 8.360 nan 0.000 0.447 196 F N -0.299 119.614 119.950 -0.061 0.000 2.643 196 F HA 0.480 5.007 4.527 -0.000 0.000 0.314 196 F C -0.122 175.435 175.800 -0.405 0.000 1.096 196 F CA -0.626 57.273 58.000 -0.169 0.000 0.953 196 F CB 2.346 41.289 39.000 -0.095 0.000 1.345 196 F HN 0.186 nan 8.300 nan 0.000 0.468 197 S N 1.107 116.543 115.700 -0.440 0.000 2.584 197 S HA 0.709 5.179 4.470 -0.000 0.000 0.280 197 S C -2.010 172.265 174.600 -0.542 0.000 1.162 197 S CA -0.530 57.333 58.200 -0.562 0.000 0.951 197 S CB 0.421 63.559 63.200 -0.103 0.000 1.108 197 S HN 0.427 nan 8.310 nan 0.000 0.464 198 F N 4.132 124.117 119.950 0.059 0.000 2.577 198 F HA 0.530 5.057 4.527 -0.000 0.000 0.344 198 F C -2.299 173.626 175.800 0.208 0.000 1.145 198 F CA -1.764 56.279 58.000 0.072 0.000 0.996 198 F CB 1.120 40.035 39.000 -0.140 0.000 1.248 198 F HN 0.228 nan 8.300 nan 0.000 0.447 199 P HA 0.496 nan 4.420 nan 0.000 0.280 199 P C -0.500 176.922 177.300 0.204 0.000 1.272 199 P CA -0.357 62.857 63.100 0.190 0.000 0.819 199 P CB 2.652 34.417 31.700 0.109 0.000 1.122 200 L N -0.029 121.205 121.223 0.019 0.000 2.741 200 L HA 0.667 5.007 4.340 -0.000 0.000 0.217 200 L C 0.422 177.276 176.870 -0.026 0.000 1.579 200 L CA -0.350 54.439 54.840 -0.085 0.000 2.792 200 L CB -0.118 41.822 42.059 -0.198 0.000 2.589 200 L HN 0.444 nan 8.230 nan 0.000 0.856 201 A N -0.350 122.455 122.820 -0.026 0.000 3.189 201 A HA 0.347 4.667 4.320 -0.000 0.000 0.213 201 A C -0.902 176.796 177.584 0.190 0.000 1.205 201 A CA -0.616 51.481 52.037 0.102 0.000 1.238 201 A CB -0.675 18.373 19.000 0.079 0.000 1.268 201 A HN 0.320 nan 8.150 nan 0.000 0.785 202 F N 0.569 120.519 119.950 -0.000 0.000 1.934 202 F HA -0.208 4.319 4.527 -0.000 0.000 0.146 202 F C 1.114 176.915 175.800 0.002 0.000 0.987 202 F CA 2.186 60.187 58.000 0.002 0.000 0.618 202 F CB -0.610 38.396 39.000 0.009 0.000 0.785 202 F HN 0.536 nan 8.300 nan 0.000 0.747 203 T N 1.459 116.096 114.554 0.137 0.000 2.864 203 T HA 0.912 5.262 4.350 -0.000 0.000 0.289 203 T C -0.022 174.736 174.700 0.096 0.000 1.082 203 T CA -0.956 61.212 62.100 0.113 0.000 1.009 203 T CB 2.115 71.033 68.868 0.083 0.000 1.234 203 T HN 0.283 nan 8.240 nan 0.000 0.526 204 V N -0.255 119.713 119.914 0.090 0.000 3.417 204 V HA 1.004 5.124 4.120 -0.000 0.000 0.297 204 V C -0.448 175.685 176.094 0.065 0.000 1.271 204 V CA -0.724 61.617 62.300 0.067 0.000 1.012 204 V CB 1.306 33.167 31.823 0.063 0.000 1.241 204 V HN 1.232 nan 8.190 nan 0.000 0.477 205 E N -0.687 119.541 120.200 0.046 0.000 6.022 205 E HA 0.012 4.362 4.350 -0.000 0.000 0.552 205 E C -0.979 175.611 176.600 -0.017 0.000 1.276 205 E CA -0.163 56.254 56.400 0.027 0.000 3.043 205 E CB -0.330 29.349 29.700 -0.036 0.000 0.783 205 E HN 0.551 nan 8.360 nan 0.000 0.263 206 K N 0.915 121.299 120.400 -0.026 0.000 2.991 206 K HA 0.342 4.662 4.320 -0.000 0.000 0.338 206 K C 0.065 176.633 176.600 -0.054 0.000 1.038 206 K CA 0.305 56.573 56.287 -0.031 0.000 1.099 206 K CB -0.215 32.271 32.500 -0.023 0.000 1.090 206 K HN 0.471 nan 8.250 nan 0.000 0.449 207 L N 2.278 123.471 121.223 -0.049 0.000 2.838 207 L HA -0.040 4.300 4.340 -0.000 0.000 0.287 207 L C 0.620 177.440 176.870 -0.083 0.000 1.124 207 L CA 0.164 54.971 54.840 -0.056 0.000 1.091 207 L CB -0.986 41.047 42.059 -0.044 0.000 1.448 207 L HN 0.655 nan 8.230 nan 0.000 0.455 208 T N -1.752 112.743 114.554 -0.099 0.000 3.058 208 T HA 0.463 4.813 4.350 -0.000 0.000 0.278 208 T C 0.566 175.177 174.700 -0.148 0.000 0.974 208 T CA 0.092 62.111 62.100 -0.134 0.000 0.893 208 T CB 0.887 69.650 68.868 -0.174 0.000 1.138 208 T HN 0.662 nan 8.240 nan 0.000 0.529 209 G N 0.808 109.519 108.800 -0.147 0.000 2.733 209 G HA2 0.549 4.509 3.960 -0.000 0.000 0.297 209 G HA3 0.549 4.509 3.960 -0.000 0.000 0.297 209 G C -1.268 173.491 174.900 -0.234 0.000 1.452 209 G CA -0.291 44.697 45.100 -0.186 0.000 0.940 209 G HN 0.939 nan 8.290 nan 0.000 0.547 210 S N -0.476 115.072 115.700 -0.253 0.000 2.675 210 S HA 0.857 5.327 4.470 -0.000 0.000 0.297 210 S C -0.109 174.389 174.600 -0.170 0.000 1.035 210 S CA 0.119 58.142 58.200 -0.297 0.000 0.852 210 S CB 1.270 64.363 63.200 -0.178 0.000 1.051 210 S HN 2.390 nan 8.310 nan 0.000 0.451 211 G N 1.096 109.838 108.800 -0.097 0.000 2.694 211 G HA2 0.839 4.799 3.960 -0.000 0.000 0.246 211 G HA3 0.839 4.799 3.960 -0.000 0.000 0.246 211 G C -1.531 173.588 174.900 0.366 0.000 1.205 211 G CA -0.054 45.121 45.100 0.125 0.000 0.891 211 G HN 1.449 nan 8.290 nan 0.000 0.515 212 E N -1.868 118.547 120.200 0.358 0.000 2.422 212 E HA 0.530 4.880 4.350 -0.000 0.000 0.280 212 E C -2.105 174.611 176.600 0.192 0.000 1.091 212 E CA -0.940 55.590 56.400 0.216 0.000 0.849 212 E CB 1.693 31.386 29.700 -0.012 0.000 1.353 212 E HN 0.804 nan 8.360 nan 0.000 0.449 213 L N 1.086 122.350 121.223 0.068 0.000 2.317 213 L HA 0.659 4.999 4.340 -0.000 0.000 0.281 213 L C -1.715 175.339 176.870 0.307 0.000 1.024 213 L CA -0.144 54.780 54.840 0.139 0.000 0.810 213 L CB 0.753 42.793 42.059 -0.032 0.000 1.240 213 L HN 0.591 nan 8.230 nan 0.000 0.427 214 W N 4.861 126.218 121.300 0.096 0.000 2.606 214 W HA 0.509 5.169 4.660 -0.000 0.000 0.332 214 W C -0.887 175.784 176.519 0.254 0.000 1.052 214 W CA -0.649 56.913 57.345 0.362 0.000 1.223 214 W CB 1.131 30.739 29.460 0.247 0.000 1.383 214 W HN 0.430 nan 8.180 nan 0.000 0.524 215 W N 3.563 125.054 121.300 0.319 0.000 2.883 215 W HA 0.394 5.054 4.660 -0.000 0.000 0.335 215 W C -1.067 175.506 176.519 0.090 0.000 1.083 215 W CA -1.283 56.145 57.345 0.138 0.000 1.233 215 W CB 1.993 31.484 29.460 0.052 0.000 1.412 215 W HN 0.472 nan 8.180 nan 0.000 0.490 216 Q N 4.150 124.158 119.800 0.346 0.000 2.506 216 Q HA 0.601 4.941 4.340 -0.000 0.000 0.242 216 Q C 0.178 176.467 176.000 0.481 0.000 1.060 216 Q CA -0.590 55.395 55.803 0.305 0.000 0.826 216 Q CB 1.246 30.064 28.738 0.133 0.000 1.169 216 Q HN 0.361 nan 8.270 nan 0.000 0.521 217 A N 2.343 125.426 122.820 0.439 0.000 2.462 217 A HA 0.063 4.383 4.320 -0.000 0.000 0.243 217 A C 0.125 177.808 177.584 0.165 0.000 1.076 217 A CA -0.316 51.868 52.037 0.245 0.000 0.773 217 A CB 0.303 19.260 19.000 -0.071 0.000 1.010 217 A HN 0.787 nan 8.150 nan 0.000 0.493 218 E N 1.030 121.329 120.200 0.165 0.000 2.417 218 E HA 0.200 4.550 4.350 -0.000 0.000 0.261 218 E C 0.652 177.300 176.600 0.080 0.000 1.000 218 E CA 0.221 56.710 56.400 0.148 0.000 0.919 218 E CB 0.077 29.903 29.700 0.210 0.000 0.955 218 E HN 0.719 nan 8.360 nan 0.000 0.455 219 R N 1.992 122.542 120.500 0.084 0.000 1.706 219 R HA -0.289 4.051 4.340 -0.000 0.000 0.091 219 R C 0.386 176.694 176.300 0.013 0.000 0.932 219 R CA 1.757 57.889 56.100 0.053 0.000 1.944 219 R CB -1.868 28.469 30.300 0.062 0.000 0.506 219 R HN 0.588 nan 8.270 nan 0.000 0.707 220 A N 1.047 123.853 122.820 -0.024 0.000 2.898 220 A HA 0.215 4.535 4.320 -0.000 0.000 0.288 220 A C 1.144 178.707 177.584 -0.034 0.000 1.771 220 A CA 1.003 53.004 52.037 -0.059 0.000 1.383 220 A CB -0.002 18.922 19.000 -0.126 0.000 1.028 220 A HN 0.372 nan 8.150 nan 0.000 0.595 221 S N 1.480 117.170 115.700 -0.016 0.000 2.528 221 S HA -0.075 4.395 4.470 -0.000 0.000 0.244 221 S C 1.249 175.830 174.600 -0.032 0.000 0.982 221 S CA 0.918 59.117 58.200 -0.003 0.000 0.953 221 S CB -0.449 62.753 63.200 0.003 0.000 0.754 221 S HN 0.763 nan 8.310 nan 0.000 0.529 222 S N 2.233 117.893 115.700 -0.066 0.000 3.772 222 S HA 0.106 4.576 4.470 -0.000 0.000 0.191 222 S C 0.522 175.033 174.600 -0.149 0.000 1.060 222 S CA -0.259 57.876 58.200 -0.109 0.000 1.051 222 S CB -0.275 62.848 63.200 -0.129 0.000 1.578 222 S HN 0.304 nan 8.310 nan 0.000 0.481 223 S N 1.402 117.022 115.700 -0.133 0.000 2.598 223 S HA 0.414 4.883 4.470 -0.000 0.000 0.267 223 S C 0.998 175.328 174.600 -0.449 0.000 1.189 223 S CA -0.770 57.314 58.200 -0.193 0.000 1.010 223 S CB 0.263 63.437 63.200 -0.043 0.000 1.084 223 S HN 0.659 nan 8.310 nan 0.000 0.541 224 K N -0.794 119.096 120.400 -0.850 0.000 3.512 224 K HA -0.119 4.201 4.320 -0.000 0.000 0.309 224 K C -0.554 174.681 176.600 -2.274 0.000 1.350 224 K CA 0.673 55.907 56.287 -1.756 0.000 0.960 224 K CB -1.940 30.159 32.500 -0.668 0.000 1.290 224 K HN 0.505 nan 8.250 nan 0.000 0.454 225 S N 0.550 115.432 115.700 -1.364 0.000 2.523 225 S HA 0.579 5.049 4.470 -0.000 0.000 0.275 225 S C -0.195 173.986 174.600 -0.698 0.000 1.281 225 S CA -0.069 57.632 58.200 -0.831 0.000 1.050 225 S CB 0.294 63.271 63.200 -0.372 0.000 0.937 225 S HN 0.390 nan 8.310 nan 0.000 0.492 226 W N 0.437 121.660 121.300 -0.130 0.000 2.743 226 W HA 0.699 5.358 4.660 -0.000 0.000 0.434 226 W C -1.765 174.691 176.519 -0.104 0.000 1.048 226 W CA -1.195 56.063 57.345 -0.144 0.000 1.170 226 W CB 0.458 29.716 29.460 -0.335 0.000 1.466 226 W HN 0.637 nan 8.180 nan 0.000 0.596 227 I N 1.475 122.176 120.570 0.219 0.000 2.644 227 I HA 0.671 4.841 4.170 -0.000 0.000 0.291 227 I C -1.166 174.975 176.117 0.041 0.000 1.180 227 I CA -0.541 60.816 61.300 0.095 0.000 1.040 227 I CB 2.174 40.196 38.000 0.037 0.000 1.255 227 I HN 0.531 nan 8.210 nan 0.000 0.422 228 T N 6.284 120.882 114.554 0.074 0.000 2.855 228 T HA 0.706 5.056 4.350 -0.000 0.000 0.281 228 T C -0.775 174.087 174.700 0.270 0.000 1.007 228 T CA -0.475 61.704 62.100 0.130 0.000 1.009 228 T CB 1.390 70.297 68.868 0.064 0.000 0.983 228 T HN 0.416 nan 8.240 nan 0.000 0.455 229 F N -0.418 119.541 119.950 0.015 0.000 2.591 229 F HA 0.827 5.354 4.527 -0.000 0.000 0.309 229 F C -1.385 174.423 175.800 0.013 0.000 1.098 229 F CA -2.269 55.745 58.000 0.025 0.000 0.937 229 F CB 0.942 39.971 39.000 0.047 0.000 1.250 229 F HN 0.441 nan 8.300 nan 0.000 0.447 230 D N 2.435 122.817 120.400 -0.030 0.000 2.256 230 D HA 0.727 5.367 4.640 -0.000 0.000 0.246 230 D C -1.408 174.790 176.300 -0.169 0.000 1.042 230 D CA -0.098 53.818 54.000 -0.140 0.000 0.841 230 D CB 1.753 42.524 40.800 -0.049 0.000 1.223 230 D HN 0.584 nan 8.370 nan 0.000 0.470 231 L N 2.549 123.639 121.223 -0.223 0.000 2.354 231 L HA 0.613 4.953 4.340 -0.000 0.000 0.264 231 L C -0.905 175.894 176.870 -0.119 0.000 1.008 231 L CA -0.607 54.129 54.840 -0.173 0.000 0.819 231 L CB 2.009 43.919 42.059 -0.247 0.000 1.339 231 L HN 0.310 nan 8.230 nan 0.000 0.420 232 K N 1.952 122.306 120.400 -0.078 0.000 2.589 232 K HA 0.445 4.765 4.320 -0.000 0.000 0.253 232 K C -0.487 176.090 176.600 -0.037 0.000 0.974 232 K CA -0.865 55.388 56.287 -0.057 0.000 0.835 232 K CB 1.755 34.232 32.500 -0.039 0.000 1.272 232 K HN 0.777 nan 8.250 nan 0.000 0.444 233 N N 1.171 119.852 118.700 -0.032 0.000 1.352 233 N HA -0.353 4.387 4.740 -0.000 0.000 0.096 233 N C -0.987 174.517 175.510 -0.010 0.000 0.792 233 N CA 1.048 54.093 53.050 -0.008 0.000 0.831 233 N CB -0.289 38.204 38.487 0.010 0.000 0.865 233 N HN 0.627 nan 8.380 nan 0.000 0.716 234 K N 1.022 121.431 120.400 0.015 0.000 2.715 234 K HA 0.167 4.487 4.320 -0.000 0.000 0.248 234 K C -0.692 175.915 176.600 0.012 0.000 1.276 234 K CA 0.434 56.728 56.287 0.012 0.000 1.209 234 K CB -0.509 32.022 32.500 0.052 0.000 1.509 234 K HN 0.311 nan 8.250 nan 0.000 0.261 235 E N 0.359 120.558 120.200 -0.001 0.000 2.311 235 E HA 0.256 4.606 4.350 -0.000 0.000 0.281 235 E C -1.445 175.155 176.600 -0.001 0.000 0.905 235 E CA -0.611 55.794 56.400 0.007 0.000 0.778 235 E CB 2.070 31.773 29.700 0.006 0.000 1.240 235 E HN -0.035 nan 8.360 nan 0.000 0.410 236 V N 1.230 121.161 119.914 0.028 0.000 3.040 236 V HA 0.853 4.973 4.120 -0.000 0.000 0.312 236 V C -0.821 175.321 176.094 0.081 0.000 1.115 236 V CA -0.858 61.475 62.300 0.055 0.000 0.998 236 V CB 2.079 33.973 31.823 0.118 0.000 1.042 236 V HN 0.800 nan 8.190 nan 0.000 0.433 237 S N 0.208 115.976 115.700 0.113 0.000 2.606 237 S HA 0.399 4.869 4.470 -0.000 0.000 0.290 237 S C -0.981 173.709 174.600 0.150 0.000 1.103 237 S CA -0.522 57.745 58.200 0.110 0.000 0.870 237 S CB 1.052 64.290 63.200 0.062 0.000 1.077 237 S HN 1.748 nan 8.310 nan 0.000 0.448 238 V N 1.663 121.664 119.914 0.145 0.000 2.521 238 V HA 0.631 4.751 4.120 -0.000 0.000 0.286 238 V C 1.314 177.474 176.094 0.110 0.000 1.034 238 V CA 1.131 63.523 62.300 0.154 0.000 1.045 238 V CB 0.172 32.062 31.823 0.111 0.000 0.974 238 V HN 1.402 nan 8.190 nan 0.000 0.480 239 K N 3.964 124.434 120.400 0.118 0.000 2.026 239 K HA 0.334 4.654 4.320 -0.000 0.000 0.208 239 K C 1.272 177.908 176.600 0.060 0.000 1.048 239 K CA 2.976 59.306 56.287 0.073 0.000 0.929 239 K CB -0.718 31.823 32.500 0.067 0.000 0.713 239 K HN 1.972 nan 8.250 nan 0.000 0.439 240 R N -3.780 116.762 120.500 0.069 0.000 3.309 240 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 240 R C 0.300 176.639 176.300 0.066 0.000 0.901 240 R CA 0.106 56.240 56.100 0.057 0.000 0.793 240 R CB -0.824 29.503 30.300 0.044 0.000 1.578 240 R HN 1.368 nan 8.270 nan 0.000 0.475 241 V N -1.566 118.385 119.914 0.061 0.000 3.724 241 V HA 0.073 4.193 4.120 -0.000 0.000 0.531 241 V C 1.275 177.407 176.094 0.062 0.000 0.682 241 V CA 1.653 63.998 62.300 0.076 0.000 2.091 241 V CB -1.712 30.189 31.823 0.131 0.000 2.495 241 V HN 2.614 nan 8.190 nan 0.000 0.517 242 T N -1.819 112.770 114.554 0.059 0.000 13.238 242 T HA -0.019 4.331 4.350 -0.000 0.000 0.399 242 T C 0.193 174.898 174.700 0.008 0.000 1.590 242 T CA 1.265 63.389 62.100 0.040 0.000 2.617 242 T CB -1.054 67.834 68.868 0.034 0.000 2.529 242 T HN 2.678 nan 8.240 nan 0.000 0.190 243 Q N 2.417 122.218 119.800 0.001 0.000 0.906 243 Q HA -0.257 4.083 4.340 -0.000 0.000 0.405 243 Q C 0.190 176.173 176.000 -0.028 0.000 1.047 243 Q CA 2.449 58.241 55.803 -0.018 0.000 0.418 243 Q CB -1.570 27.150 28.738 -0.030 0.000 5.308 243 Q HN 0.789 nan 8.270 nan 0.000 0.447 244 D N -1.872 118.500 120.400 -0.048 0.000 4.259 244 D HA -0.183 4.457 4.640 -0.000 0.000 0.150 244 D C -1.977 174.329 176.300 0.009 0.000 0.731 244 D CA 2.200 56.165 54.000 -0.058 0.000 1.138 244 D CB -2.388 38.344 40.800 -0.113 0.000 0.540 244 D HN 0.831 nan 8.370 nan 0.000 0.507 245 P HA 0.335 nan 4.420 nan 0.000 0.282 245 P C -0.397 176.915 177.300 0.020 0.000 1.287 245 P CA -0.282 62.885 63.100 0.112 0.000 0.792 245 P CB 0.452 32.285 31.700 0.222 0.000 1.163 246 K N 0.449 120.838 120.400 -0.018 0.000 3.100 246 K HA 0.183 4.503 4.320 -0.000 0.000 0.256 246 K C -0.192 176.400 176.600 -0.012 0.000 1.146 246 K CA -0.059 56.217 56.287 -0.018 0.000 1.233 246 K CB -1.804 30.676 32.500 -0.033 0.000 1.226 246 K HN 0.303 nan 8.250 nan 0.000 0.442 247 L N 1.198 122.425 121.223 0.005 0.000 2.584 247 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 247 L C 0.309 177.203 176.870 0.039 0.000 1.195 247 L CA 0.376 55.235 54.840 0.031 0.000 0.920 247 L CB -0.076 42.019 42.059 0.059 0.000 1.173 247 L HN 0.239 nan 8.230 nan 0.000 0.489 248 Q N 2.938 122.765 119.800 0.044 0.000 2.245 248 Q HA 0.609 4.949 4.340 -0.000 0.000 0.256 248 Q C -0.763 175.280 176.000 0.072 0.000 0.942 248 Q CA -0.814 55.018 55.803 0.048 0.000 0.896 248 Q CB 2.666 31.424 28.738 0.034 0.000 1.272 248 Q HN 0.562 nan 8.270 nan 0.000 0.442 249 M N 0.477 120.121 119.600 0.074 0.000 2.602 249 M HA 0.561 5.041 4.480 -0.000 0.000 0.312 249 M C -0.487 175.874 176.300 0.102 0.000 1.181 249 M CA -0.315 55.039 55.300 0.091 0.000 0.910 249 M CB 1.993 34.642 32.600 0.082 0.000 1.723 249 M HN 0.603 nan 8.290 nan 0.000 0.459 250 G N 1.670 110.544 108.800 0.122 0.000 2.562 250 G HA2 0.329 4.289 3.960 -0.000 0.000 0.275 250 G HA3 0.329 4.289 3.960 -0.000 0.000 0.275 250 G C -0.099 174.863 174.900 0.104 0.000 1.196 250 G CA -0.437 44.736 45.100 0.122 0.000 0.908 250 G HN 0.855 nan 8.290 nan 0.000 0.524 251 K N -0.774 119.678 120.400 0.088 0.000 2.356 251 K HA 0.086 4.406 4.320 -0.000 0.000 0.195 251 K C 0.397 177.034 176.600 0.062 0.000 1.037 251 K CA 0.504 56.834 56.287 0.071 0.000 1.014 251 K CB 0.178 32.713 32.500 0.058 0.000 0.815 251 K HN 0.307 nan 8.250 nan 0.000 0.507 252 K N 1.102 121.541 120.400 0.065 0.000 2.182 252 K HA 0.228 4.548 4.320 -0.000 0.000 0.262 252 K C 0.776 177.378 176.600 0.004 0.000 0.957 252 K CA -0.421 55.891 56.287 0.041 0.000 0.842 252 K CB 1.702 34.238 32.500 0.059 0.000 1.099 252 K HN -0.159 nan 8.250 nan 0.000 0.438 253 L N 1.578 122.784 121.223 -0.028 0.000 2.326 253 L HA -0.179 4.161 4.340 -0.000 0.000 0.218 253 L C -0.974 175.823 176.870 -0.122 0.000 1.098 253 L CA 1.679 56.469 54.840 -0.084 0.000 0.778 253 L CB -1.050 40.912 42.059 -0.162 0.000 0.893 253 L HN 0.516 nan 8.230 nan 0.000 0.440 254 P HA 0.177 nan 4.420 nan 0.000 0.220 254 P C -0.360 176.675 177.300 -0.442 0.000 1.793 254 P CA -0.529 62.436 63.100 -0.225 0.000 0.917 254 P CB 0.025 31.628 31.700 -0.163 0.000 1.755 255 L N 0.923 122.016 121.223 -0.216 0.000 4.444 255 L HA -0.223 4.117 4.340 -0.000 0.000 0.550 255 L C 0.354 176.944 176.870 -0.467 0.000 1.072 255 L CA 1.606 56.348 54.840 -0.162 0.000 0.526 255 L CB -1.082 41.076 42.059 0.164 0.000 0.633 255 L HN 0.439 nan 8.230 nan 0.000 1.083 256 H N 2.882 121.942 119.070 -0.016 0.000 2.854 256 H HA 0.350 4.906 4.556 -0.000 0.000 0.275 256 H C -0.253 175.080 175.328 0.008 0.000 1.198 256 H CA -0.785 55.225 56.048 -0.062 0.000 1.489 256 H CB 1.013 30.757 29.762 -0.029 0.000 1.519 256 H HN 0.464 nan 8.280 nan 0.000 0.503 257 L N 4.244 125.538 121.223 0.119 0.000 2.485 257 L HA 0.125 4.465 4.340 -0.000 0.000 0.279 257 L C 0.049 177.131 176.870 0.353 0.000 1.124 257 L CA 0.227 55.211 54.840 0.240 0.000 0.888 257 L CB -0.124 42.113 42.059 0.298 0.000 1.217 257 L HN 0.642 nan 8.230 nan 0.000 0.464 258 T N 2.824 117.504 114.554 0.210 0.000 2.837 258 T HA 0.442 4.792 4.350 -0.000 0.000 0.285 258 T C -0.273 174.496 174.700 0.115 0.000 0.984 258 T CA -0.722 61.459 62.100 0.134 0.000 1.049 258 T CB 2.063 70.963 68.868 0.052 0.000 0.947 258 T HN 0.543 nan 8.240 nan 0.000 0.472 259 L N 4.464 125.716 121.223 0.048 0.000 2.337 259 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 259 L C -2.521 174.280 176.870 -0.115 0.000 1.018 259 L CA -2.492 52.335 54.840 -0.021 0.000 0.876 259 L CB 1.647 43.717 42.059 0.017 0.000 1.236 259 L HN 0.497 nan 8.230 nan 0.000 0.436 260 P HA -0.014 nan 4.420 nan 0.000 0.266 260 P C -1.203 175.989 177.300 -0.179 0.000 1.195 260 P CA -0.020 63.008 63.100 -0.120 0.000 0.768 260 P CB 0.415 32.054 31.700 -0.102 0.000 0.838 261 Q N 1.171 120.883 119.800 -0.146 0.000 2.919 261 Q HA -0.239 4.101 4.340 -0.000 0.000 0.090 261 Q C -0.956 174.905 176.000 -0.231 0.000 1.541 261 Q CA 0.393 56.101 55.803 -0.158 0.000 0.429 261 Q CB -1.688 26.975 28.738 -0.126 0.000 0.628 261 Q HN 0.490 nan 8.270 nan 0.000 0.320 262 A N 6.158 128.888 122.820 -0.150 0.000 2.639 262 A HA 0.387 4.707 4.320 -0.000 0.000 0.295 262 A C 0.384 177.933 177.584 -0.059 0.000 1.443 262 A CA -0.266 51.703 52.037 -0.115 0.000 1.117 262 A CB -0.094 18.891 19.000 -0.026 0.000 1.098 262 A HN 0.568 nan 8.150 nan 0.000 0.552 263 L N 3.333 124.493 121.223 -0.105 0.000 2.375 263 L HA 0.238 4.577 4.340 -0.000 0.000 0.271 263 L C -1.377 175.619 176.870 0.210 0.000 1.107 263 L CA -2.065 52.830 54.840 0.092 0.000 0.806 263 L CB 1.029 43.201 42.059 0.187 0.000 1.146 263 L HN 0.353 nan 8.230 nan 0.000 0.447 264 P HA -0.249 nan 4.420 nan 0.000 0.217 264 P C 1.171 178.259 177.300 -0.355 0.000 1.151 264 P CA 1.184 64.153 63.100 -0.217 0.000 0.849 264 P CB 0.051 31.492 31.700 -0.432 0.000 0.787 265 Q N -1.548 118.054 119.800 -0.330 0.000 2.436 265 Q HA -0.132 4.208 4.340 -0.000 0.000 0.209 265 Q C 0.645 176.337 176.000 -0.514 0.000 0.965 265 Q CA 1.269 56.784 55.803 -0.479 0.000 0.910 265 Q CB -1.096 27.314 28.738 -0.547 0.000 0.980 265 Q HN 0.377 nan 8.270 nan 0.000 0.491 266 Y N 1.467 121.628 120.300 -0.231 0.000 2.547 266 Y HA 0.451 5.001 4.550 -0.000 0.000 0.325 266 Y C 0.773 176.588 175.900 -0.141 0.000 1.165 266 Y CA -0.062 57.848 58.100 -0.316 0.000 1.300 266 Y CB -0.052 38.240 38.460 -0.280 0.000 1.126 266 Y HN 0.147 nan 8.280 nan 0.000 0.513 267 A N -0.019 122.876 122.820 0.124 0.000 2.317 267 A HA 0.889 5.209 4.320 -0.000 0.000 0.327 267 A C 0.567 178.454 177.584 0.504 0.000 1.178 267 A CA 0.221 52.478 52.037 0.367 0.000 0.817 267 A CB 0.739 19.937 19.000 0.330 0.000 1.189 267 A HN 0.449 nan 8.150 nan 0.000 0.489 268 G N 0.008 109.194 108.800 0.643 0.000 2.351 268 G HA2 0.448 4.408 3.960 -0.000 0.000 0.279 268 G HA3 0.448 4.408 3.960 -0.000 0.000 0.279 268 G C -0.441 174.484 174.900 0.043 0.000 1.297 268 G CA 0.008 45.375 45.100 0.444 0.000 0.886 268 G HN 1.073 nan 8.290 nan 0.000 0.493 269 S N -1.369 114.206 115.700 -0.207 0.000 2.738 269 S HA 0.918 5.388 4.470 -0.000 0.000 0.284 269 S C 0.323 174.378 174.600 -0.909 0.000 1.146 269 S CA 0.173 58.111 58.200 -0.438 0.000 0.997 269 S CB 1.427 64.506 63.200 -0.201 0.000 1.081 269 S HN 2.045 nan 8.310 nan 0.000 0.553 270 G N 0.573 108.982 108.800 -0.653 0.000 2.556 270 G HA2 0.487 4.447 3.960 -0.000 0.000 0.294 270 G HA3 0.487 4.447 3.960 -0.000 0.000 0.294 270 G C -2.297 172.401 174.900 -0.337 0.000 1.516 270 G CA -0.936 43.822 45.100 -0.570 0.000 0.824 270 G HN 0.496 nan 8.290 nan 0.000 0.535 271 N N -0.271 118.321 118.700 -0.180 0.000 2.314 271 N HA 0.573 5.313 4.740 -0.000 0.000 0.294 271 N C -1.016 174.389 175.510 -0.174 0.000 1.029 271 N CA -0.550 52.391 53.050 -0.183 0.000 0.845 271 N CB 2.608 41.005 38.487 -0.150 0.000 1.321 271 N HN 0.493 nan 8.380 nan 0.000 0.481 272 L N 1.955 122.981 121.223 -0.327 0.000 2.283 272 L HA 0.483 4.823 4.340 -0.000 0.000 0.281 272 L C -0.723 176.004 176.870 -0.239 0.000 1.033 272 L CA -0.251 54.365 54.840 -0.372 0.000 0.848 272 L CB 0.273 41.811 42.059 -0.869 0.000 1.226 272 L HN 0.554 nan 8.230 nan 0.000 0.429 273 T N 4.530 119.032 114.554 -0.086 0.000 2.744 273 T HA 0.506 4.856 4.350 -0.000 0.000 0.291 273 T C -0.365 174.353 174.700 0.030 0.000 0.957 273 T CA -0.372 61.649 62.100 -0.131 0.000 1.002 273 T CB 1.331 70.060 68.868 -0.231 0.000 0.919 273 T HN 0.355 nan 8.240 nan 0.000 0.468 274 L N 2.702 123.960 121.223 0.058 0.000 2.334 274 L HA 0.784 5.124 4.340 -0.000 0.000 0.276 274 L C -0.618 176.210 176.870 -0.070 0.000 1.014 274 L CA -0.394 54.496 54.840 0.082 0.000 0.815 274 L CB 1.448 43.627 42.059 0.200 0.000 1.268 274 L HN 0.892 nan 8.230 nan 0.000 0.428 275 A N 5.926 128.689 122.820 -0.095 0.000 2.497 275 A HA 0.635 4.955 4.320 -0.000 0.000 0.280 275 A C -1.003 176.508 177.584 -0.122 0.000 1.065 275 A CA -0.627 51.344 52.037 -0.111 0.000 0.781 275 A CB 0.557 19.497 19.000 -0.100 0.000 1.289 275 A HN 0.675 nan 8.150 nan 0.000 0.415 276 L N 0.320 121.466 121.223 -0.129 0.000 2.777 276 L HA 0.978 5.318 4.340 -0.000 0.000 0.241 276 L C 0.216 177.003 176.870 -0.139 0.000 1.854 276 L CA -0.766 53.986 54.840 -0.147 0.000 2.070 276 L CB 0.515 42.471 42.059 -0.172 0.000 2.441 276 L HN 0.908 nan 8.230 nan 0.000 0.587 277 E N -1.747 118.342 120.200 -0.186 0.000 1.894 277 E HA 0.608 4.957 4.350 -0.000 0.000 0.215 277 E C -0.435 175.996 176.600 -0.282 0.000 1.642 277 E CA -0.204 56.092 56.400 -0.174 0.000 1.032 277 E CB 1.126 30.755 29.700 -0.119 0.000 1.625 277 E HN 0.905 nan 8.360 nan 0.000 0.591 278 A N -0.222 122.507 122.820 -0.151 0.000 3.259 278 A HA 0.008 4.328 4.320 -0.000 0.000 0.196 278 A C 0.128 177.711 177.584 -0.002 0.000 0.701 278 A CA 0.455 52.449 52.037 -0.071 0.000 2.223 278 A CB -0.849 18.124 19.000 -0.045 0.000 0.604 278 A HN 0.270 nan 8.150 nan 0.000 0.576 279 K N 1.833 122.235 120.400 0.003 0.000 3.098 279 K HA 0.321 4.641 4.320 -0.000 0.000 0.204 279 K C 0.304 176.904 176.600 -0.000 0.000 1.210 279 K CA 0.610 56.905 56.287 0.013 0.000 0.899 279 K CB 0.845 33.370 32.500 0.041 0.000 1.176 279 K HN 0.927 nan 8.250 nan 0.000 0.585 280 T N -1.259 113.278 114.554 -0.029 0.000 2.484 280 T HA 0.156 4.506 4.350 -0.000 0.000 0.407 280 T C 0.717 175.403 174.700 -0.024 0.000 1.049 280 T CA 0.729 62.804 62.100 -0.041 0.000 1.080 280 T CB 0.360 69.202 68.868 -0.044 0.000 1.041 280 T HN 0.650 nan 8.240 nan 0.000 0.546 281 G N -0.555 108.225 108.800 -0.033 0.000 2.336 281 G HA2 0.460 4.420 3.960 -0.000 0.000 0.300 281 G HA3 0.460 4.420 3.960 -0.000 0.000 0.300 281 G C -1.958 172.913 174.900 -0.048 0.000 1.375 281 G CA -0.614 44.473 45.100 -0.022 0.000 0.885 281 G HN 0.916 nan 8.290 nan 0.000 0.599 282 K N 0.777 121.149 120.400 -0.046 0.000 2.541 282 K HA 0.576 4.896 4.320 -0.000 0.000 0.250 282 K C -0.563 175.921 176.600 -0.193 0.000 0.950 282 K CA -0.762 55.440 56.287 -0.141 0.000 0.805 282 K CB 2.468 34.850 32.500 -0.196 0.000 1.166 282 K HN 0.487 nan 8.250 nan 0.000 0.430 283 L N 2.496 123.621 121.223 -0.163 0.000 2.456 283 L HA 0.400 4.740 4.340 -0.000 0.000 0.257 283 L C -0.229 176.526 176.870 -0.192 0.000 1.162 283 L CA -0.527 54.309 54.840 -0.006 0.000 0.808 283 L CB 0.150 42.246 42.059 0.063 0.000 1.136 283 L HN 0.607 nan 8.230 nan 0.000 0.466 284 H N 0.002 119.173 119.070 0.167 0.000 2.961 284 H HA 0.579 5.135 4.556 -0.000 0.000 0.371 284 H C -1.151 174.151 175.328 -0.045 0.000 1.190 284 H CA -0.715 55.340 56.048 0.012 0.000 1.138 284 H CB 1.737 31.463 29.762 -0.061 0.000 1.816 284 H HN 0.299 nan 8.280 nan 0.000 0.551 285 Q N 1.640 121.339 119.800 -0.169 0.000 2.364 285 Q HA 0.158 4.498 4.340 -0.000 0.000 0.257 285 Q C -1.244 174.547 176.000 -0.347 0.000 0.956 285 Q CA -0.597 54.997 55.803 -0.347 0.000 0.924 285 Q CB 2.874 31.047 28.738 -0.942 0.000 1.413 285 Q HN 0.843 nan 8.270 nan 0.000 0.418 286 E N 1.403 121.470 120.200 -0.223 0.000 2.373 286 E HA 0.501 4.851 4.350 -0.000 0.000 0.263 286 E C -1.307 175.151 176.600 -0.236 0.000 1.073 286 E CA -0.253 56.017 56.400 -0.215 0.000 0.894 286 E CB 1.158 30.774 29.700 -0.139 0.000 1.008 286 E HN 0.279 nan 8.360 nan 0.000 0.420 287 V N 4.771 124.510 119.914 -0.291 0.000 2.808 287 V HA 0.461 4.581 4.120 -0.000 0.000 0.308 287 V C -0.969 174.904 176.094 -0.370 0.000 1.099 287 V CA -0.873 61.254 62.300 -0.288 0.000 0.920 287 V CB 2.135 33.702 31.823 -0.426 0.000 1.014 287 V HN 0.829 nan 8.190 nan 0.000 0.425 288 N N 3.776 122.372 118.700 -0.173 0.000 2.264 288 N HA 0.645 5.385 4.740 -0.000 0.000 0.288 288 N C -1.866 173.741 175.510 0.161 0.000 1.094 288 N CA -0.571 52.413 53.050 -0.109 0.000 0.817 288 N CB 3.162 41.611 38.487 -0.063 0.000 1.604 288 N HN 0.443 nan 8.380 nan 0.000 0.473 289 L N 1.659 123.083 121.223 0.335 0.000 2.438 289 L HA 0.555 4.895 4.340 -0.000 0.000 0.270 289 L C -1.359 175.733 176.870 0.370 0.000 0.972 289 L CA -0.635 54.481 54.840 0.460 0.000 0.831 289 L CB 1.821 44.360 42.059 0.800 0.000 1.273 289 L HN 0.317 nan 8.230 nan 0.000 0.405 290 V N 4.801 124.885 119.914 0.282 0.000 2.769 290 V HA 0.809 4.929 4.120 -0.000 0.000 0.312 290 V C -0.528 175.750 176.094 0.306 0.000 1.058 290 V CA -0.755 61.736 62.300 0.319 0.000 0.952 290 V CB 1.995 34.049 31.823 0.386 0.000 1.019 290 V HN 0.527 nan 8.190 nan 0.000 0.445 291 V N 3.549 123.662 119.914 0.333 0.000 2.925 291 V HA 0.587 4.707 4.120 -0.000 0.000 0.311 291 V C -0.484 175.803 176.094 0.322 0.000 1.104 291 V CA -0.558 61.926 62.300 0.306 0.000 0.954 291 V CB 2.069 34.073 31.823 0.302 0.000 1.022 291 V HN 0.921 nan 8.190 nan 0.000 0.427 292 M N 3.480 123.225 119.600 0.241 0.000 2.321 292 M HA 0.832 5.312 4.480 -0.000 0.000 0.315 292 M C -0.497 175.915 176.300 0.186 0.000 1.052 292 M CA -0.551 54.858 55.300 0.182 0.000 0.936 292 M CB 1.754 34.423 32.600 0.115 0.000 1.639 292 M HN 0.819 nan 8.290 nan 0.000 0.433 293 R N 3.349 123.961 120.500 0.186 0.000 2.407 293 R HA 0.801 5.141 4.340 -0.000 0.000 0.298 293 R C -1.007 175.361 176.300 0.113 0.000 1.166 293 R CA -0.070 56.136 56.100 0.175 0.000 1.006 293 R CB 0.882 31.347 30.300 0.275 0.000 1.145 293 R HN 0.887 nan 8.270 nan 0.000 0.538 294 A N 1.872 124.743 122.820 0.085 0.000 2.316 294 A HA 0.666 4.986 4.320 -0.000 0.000 0.311 294 A C -0.189 177.421 177.584 0.044 0.000 1.339 294 A CA -0.251 51.822 52.037 0.060 0.000 0.960 294 A CB 0.360 19.398 19.000 0.062 0.000 1.152 294 A HN 0.632 nan 8.150 nan 0.000 0.547 295 T N 2.545 117.119 114.554 0.032 0.000 3.109 295 T HA 0.216 4.566 4.350 -0.000 0.000 0.311 295 T C -0.495 174.197 174.700 -0.013 0.000 1.011 295 T CA -0.400 61.708 62.100 0.015 0.000 1.026 295 T CB 1.213 70.103 68.868 0.036 0.000 1.047 295 T HN 0.776 nan 8.240 nan 0.000 0.448 296 Q N 4.143 123.915 119.800 -0.047 0.000 2.297 296 Q HA 0.260 4.599 4.340 -0.000 0.000 0.267 296 Q C 0.682 176.656 176.000 -0.043 0.000 1.006 296 Q CA -0.246 55.510 55.803 -0.079 0.000 0.896 296 Q CB 0.545 29.212 28.738 -0.118 0.000 1.186 296 Q HN 0.657 nan 8.270 nan 0.000 0.392 297 L N 2.875 124.077 121.223 -0.034 0.000 1.925 297 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 297 L C 1.171 178.026 176.870 -0.024 0.000 1.082 297 L CA 1.527 56.356 54.840 -0.019 0.000 0.764 297 L CB -0.542 41.507 42.059 -0.016 0.000 0.887 297 L HN 0.721 nan 8.230 nan 0.000 0.432 298 Q N -1.260 118.521 119.800 -0.031 0.000 3.069 298 Q HA 0.184 4.524 4.340 -0.000 0.000 0.228 298 Q C 0.839 176.815 176.000 -0.040 0.000 1.131 298 Q CA -0.790 54.996 55.803 -0.028 0.000 0.454 298 Q CB -0.323 28.402 28.738 -0.021 0.000 5.178 298 Q HN -0.065 nan 8.270 nan 0.000 0.289 299 K N 0.717 121.097 120.400 -0.035 0.000 2.574 299 K HA 0.117 4.437 4.320 -0.000 0.000 0.193 299 K C -0.531 176.034 176.600 -0.059 0.000 1.035 299 K CA 0.431 56.693 56.287 -0.041 0.000 0.982 299 K CB -0.466 32.020 32.500 -0.025 0.000 0.795 299 K HN 0.308 nan 8.250 nan 0.000 0.491 300 N N 1.164 119.830 118.700 -0.057 0.000 2.272 300 N HA 0.352 5.092 4.740 -0.000 0.000 0.305 300 N C -0.516 174.947 175.510 -0.079 0.000 1.103 300 N CA -0.707 52.305 53.050 -0.064 0.000 0.791 300 N CB 2.118 40.593 38.487 -0.021 0.000 1.356 300 N HN -0.000 nan 8.380 nan 0.000 0.486 301 L N -1.234 119.919 121.223 -0.116 0.000 2.260 301 L HA 0.896 5.236 4.340 -0.000 0.000 0.265 301 L C 0.061 176.917 176.870 -0.023 0.000 1.015 301 L CA -0.284 54.486 54.840 -0.118 0.000 0.826 301 L CB 1.707 43.604 42.059 -0.269 0.000 1.373 301 L HN 0.438 nan 8.230 nan 0.000 0.450 302 T N -1.059 113.488 114.554 -0.011 0.000 2.770 302 T HA 0.501 4.851 4.350 -0.000 0.000 0.323 302 T C -2.046 172.677 174.700 0.038 0.000 1.683 302 T CA -0.304 61.831 62.100 0.058 0.000 1.024 302 T CB 1.045 69.977 68.868 0.107 0.000 1.557 302 T HN 0.986 nan 8.240 nan 0.000 0.494 303 C N 2.548 121.876 119.300 0.047 0.000 3.239 303 C HA 0.863 5.323 4.460 -0.000 0.000 0.329 303 C C -2.041 172.948 174.990 -0.001 0.000 1.252 303 C CA -0.366 58.673 59.018 0.036 0.000 1.323 303 C CB 1.472 29.236 27.740 0.039 0.000 1.663 303 C HN 0.959 nan 8.230 nan 0.000 0.487 304 E N 3.196 123.379 120.200 -0.029 0.000 2.366 304 E HA 0.571 4.921 4.350 -0.000 0.000 0.278 304 E C -1.958 174.505 176.600 -0.229 0.000 0.923 304 E CA -0.545 55.742 56.400 -0.188 0.000 0.761 304 E CB 1.664 31.142 29.700 -0.370 0.000 1.231 304 E HN 0.395 nan 8.360 nan 0.000 0.443 305 V N 2.582 122.324 119.914 -0.286 0.000 2.384 305 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 305 V C -1.106 174.868 176.094 -0.200 0.000 1.020 305 V CA -0.427 61.794 62.300 -0.133 0.000 0.850 305 V CB 0.486 32.293 31.823 -0.027 0.000 0.987 305 V HN 0.603 nan 8.190 nan 0.000 0.436 306 W N 3.550 124.912 121.300 0.103 0.000 2.576 306 W HA 0.813 5.473 4.660 -0.000 0.000 0.360 306 W C 0.787 177.390 176.519 0.140 0.000 1.109 306 W CA 0.714 58.125 57.345 0.109 0.000 1.237 306 W CB 1.239 30.759 29.460 0.101 0.000 1.369 306 W HN 1.003 nan 8.180 nan 0.000 0.609 307 G N 0.737 109.790 108.800 0.422 0.000 2.466 307 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 307 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 307 G C -2.728 172.314 174.900 0.236 0.000 1.237 307 G CA -0.856 44.436 45.100 0.320 0.000 0.954 307 G HN 0.408 nan 8.290 nan 0.000 0.580 308 P HA 0.293 nan 4.420 nan 0.000 0.238 308 P C 0.328 177.730 177.300 0.170 0.000 1.794 308 P CA 0.647 63.841 63.100 0.156 0.000 1.088 308 P CB -0.310 31.461 31.700 0.118 0.000 1.923 309 T N -0.994 113.649 114.554 0.148 0.000 2.934 309 T HA 0.446 4.796 4.350 -0.000 0.000 0.283 309 T C 0.268 175.022 174.700 0.090 0.000 1.005 309 T CA -0.716 61.461 62.100 0.127 0.000 1.041 309 T CB 1.144 70.067 68.868 0.092 0.000 1.042 309 T HN 0.180 nan 8.240 nan 0.000 0.505 310 S N 1.746 117.490 115.700 0.073 0.000 2.541 310 S HA 0.411 4.881 4.470 -0.000 0.000 0.283 310 S C -1.802 172.817 174.600 0.031 0.000 1.196 310 S CA -1.685 56.546 58.200 0.052 0.000 1.062 310 S CB 0.998 64.228 63.200 0.050 0.000 1.009 310 S HN 0.646 nan 8.310 nan 0.000 0.502 311 P HA 0.148 nan 4.420 nan 0.000 0.252 311 P C 0.108 177.414 177.300 0.010 0.000 1.265 311 P CA 0.351 63.461 63.100 0.017 0.000 0.775 311 P CB 0.080 31.792 31.700 0.019 0.000 1.128 312 K N -0.763 119.643 120.400 0.011 0.000 2.365 312 K HA 0.170 4.490 4.320 -0.000 0.000 0.195 312 K C 1.032 177.629 176.600 -0.005 0.000 1.079 312 K CA 0.283 56.573 56.287 0.004 0.000 0.979 312 K CB -0.434 32.071 32.500 0.009 0.000 0.929 312 K HN 0.132 nan 8.250 nan 0.000 0.523 313 L N -0.267 120.953 121.223 -0.005 0.000 2.470 313 L HA 0.318 4.658 4.340 -0.000 0.000 0.243 313 L C 0.418 177.272 176.870 -0.028 0.000 1.227 313 L CA -0.068 54.759 54.840 -0.021 0.000 0.824 313 L CB 0.041 42.084 42.059 -0.027 0.000 1.175 313 L HN -0.158 nan 8.230 nan 0.000 0.503 314 M N 0.941 120.517 119.600 -0.040 0.000 2.658 314 M HA 0.560 5.040 4.480 -0.000 0.000 0.295 314 M C -1.032 175.237 176.300 -0.051 0.000 1.248 314 M CA -0.370 54.904 55.300 -0.044 0.000 0.843 314 M CB 2.259 34.832 32.600 -0.044 0.000 1.749 314 M HN 0.550 nan 8.290 nan 0.000 0.464 315 L N 0.750 121.941 121.223 -0.055 0.000 2.371 315 L HA 0.836 5.176 4.340 -0.000 0.000 0.262 315 L C -1.265 175.570 176.870 -0.058 0.000 1.006 315 L CA -0.104 54.704 54.840 -0.054 0.000 0.818 315 L CB 2.288 44.312 42.059 -0.058 0.000 1.354 315 L HN 0.933 nan 8.230 nan 0.000 0.415 316 S N 3.725 119.399 115.700 -0.044 0.000 2.543 316 S HA 0.623 5.093 4.470 -0.000 0.000 0.274 316 S C -1.275 173.324 174.600 -0.003 0.000 1.149 316 S CA -0.708 57.467 58.200 -0.041 0.000 0.866 316 S CB 2.053 65.224 63.200 -0.049 0.000 1.111 316 S HN 0.500 nan 8.310 nan 0.000 0.457 317 L N 2.268 123.506 121.223 0.025 0.000 2.409 317 L HA 0.693 5.033 4.340 -0.000 0.000 0.272 317 L C -0.700 176.216 176.870 0.077 0.000 0.980 317 L CA -0.438 54.485 54.840 0.139 0.000 0.826 317 L CB 1.941 44.148 42.059 0.247 0.000 1.268 317 L HN 0.892 nan 8.230 nan 0.000 0.407 318 K N 2.360 122.715 120.400 -0.075 0.000 2.536 318 K HA 0.492 4.812 4.320 -0.000 0.000 0.269 318 K C -0.302 175.787 176.600 -0.851 0.000 0.965 318 K CA -0.942 55.056 56.287 -0.482 0.000 0.860 318 K CB 1.659 33.981 32.500 -0.295 0.000 1.423 318 K HN 0.383 nan 8.250 nan 0.000 0.438 319 L N -0.385 119.991 121.223 -1.413 0.000 2.672 319 L HA 0.256 4.596 4.340 -0.000 0.000 0.236 319 L C 1.098 177.636 176.870 -0.554 0.000 1.186 319 L CA 0.592 54.575 54.840 -1.430 0.000 0.977 319 L CB -0.695 40.496 42.059 -1.447 0.000 1.203 319 L HN 1.135 nan 8.230 nan 0.000 0.448 320 E N -0.239 119.733 120.200 -0.381 0.000 4.540 320 E HA -0.451 3.899 4.350 -0.000 0.000 0.175 320 E C 0.920 177.413 176.600 -0.178 0.000 1.236 320 E CA 1.855 58.131 56.400 -0.206 0.000 2.396 320 E CB -1.575 28.047 29.700 -0.130 0.000 1.797 320 E HN 0.602 nan 8.360 nan 0.000 0.437 321 N N 1.916 120.508 118.700 -0.180 0.000 2.020 321 N HA -0.119 4.621 4.740 -0.000 0.000 0.200 321 N C 0.700 176.132 175.510 -0.130 0.000 1.054 321 N CA 2.193 55.165 53.050 -0.131 0.000 0.874 321 N CB -0.271 38.141 38.487 -0.124 0.000 1.075 321 N HN 0.467 nan 8.380 nan 0.000 0.446 322 K N 1.194 121.496 120.400 -0.163 0.000 2.109 322 K HA 0.192 4.512 4.320 -0.000 0.000 0.243 322 K C 0.436 176.940 176.600 -0.160 0.000 1.006 322 K CA -0.623 55.580 56.287 -0.140 0.000 0.917 322 K CB 0.839 33.261 32.500 -0.131 0.000 1.081 322 K HN 0.117 nan 8.250 nan 0.000 0.468 323 E N 0.471 120.597 120.200 -0.123 0.000 2.605 323 E HA 0.080 4.430 4.350 -0.000 0.000 0.255 323 E C -0.197 176.323 176.600 -0.132 0.000 1.369 323 E CA -0.314 56.017 56.400 -0.115 0.000 1.017 323 E CB 0.215 29.866 29.700 -0.081 0.000 1.086 323 E HN 0.689 nan 8.360 nan 0.000 0.605 324 A N 0.441 123.195 122.820 -0.109 0.000 2.407 324 A HA -0.090 4.230 4.320 -0.000 0.000 0.303 324 A C 1.198 178.722 177.584 -0.100 0.000 0.910 324 A CA 1.602 53.578 52.037 -0.101 0.000 1.219 324 A CB -0.756 18.198 19.000 -0.076 0.000 0.726 324 A HN 0.637 nan 8.150 nan 0.000 0.375 325 K N 1.639 121.973 120.400 -0.111 0.000 2.361 325 K HA 0.483 4.803 4.320 -0.000 0.000 0.196 325 K C 0.630 177.225 176.600 -0.008 0.000 1.039 325 K CA 1.243 57.500 56.287 -0.051 0.000 1.001 325 K CB 0.240 32.715 32.500 -0.041 0.000 0.795 325 K HN 1.987 nan 8.250 nan 0.000 0.495 326 V N -0.106 119.782 119.914 -0.044 0.000 2.859 326 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 326 V C -2.009 174.024 176.094 -0.101 0.000 1.496 326 V CA -0.335 61.906 62.300 -0.098 0.000 0.929 326 V CB 1.474 33.201 31.823 -0.161 0.000 1.147 326 V HN 0.342 nan 8.190 nan 0.000 0.449 327 S N 5.921 121.557 115.700 -0.108 0.000 2.536 327 S HA 0.959 5.429 4.470 -0.000 0.000 0.298 327 S C -0.778 173.758 174.600 -0.107 0.000 1.083 327 S CA -0.376 57.769 58.200 -0.092 0.000 0.995 327 S CB 1.896 65.054 63.200 -0.071 0.000 1.058 327 S HN 0.943 nan 8.310 nan 0.000 0.488 328 K N 0.975 121.319 120.400 -0.092 0.000 2.735 328 K HA 0.340 4.660 4.320 -0.000 0.000 0.295 328 K C -1.668 174.894 176.600 -0.063 0.000 1.052 328 K CA -0.648 55.587 56.287 -0.088 0.000 0.853 328 K CB 1.131 33.554 32.500 -0.129 0.000 1.535 328 K HN 0.529 nan 8.250 nan 0.000 0.383 329 R N 1.939 122.411 120.500 -0.048 0.000 2.664 329 R HA 0.222 4.562 4.340 -0.000 0.000 0.281 329 R C -1.229 175.057 176.300 -0.024 0.000 1.383 329 R CA -0.118 55.963 56.100 -0.032 0.000 1.563 329 R CB 0.509 30.796 30.300 -0.022 0.000 1.131 329 R HN 0.598 nan 8.270 nan 0.000 0.599 330 E N 0.207 120.388 120.200 -0.032 0.000 2.429 330 E HA 0.077 4.427 4.350 -0.000 0.000 0.277 330 E C -0.837 175.733 176.600 -0.051 0.000 1.130 330 E CA -0.951 55.432 56.400 -0.028 0.000 0.875 330 E CB 0.576 30.271 29.700 -0.009 0.000 1.443 330 E HN 0.161 nan 8.360 nan 0.000 0.444 331 K N -0.398 119.959 120.400 -0.073 0.000 2.358 331 K HA 0.526 4.846 4.320 -0.000 0.000 0.197 331 K C 0.253 176.729 176.600 -0.207 0.000 1.025 331 K CA 0.271 56.476 56.287 -0.138 0.000 1.104 331 K CB 0.981 33.382 32.500 -0.165 0.000 0.855 331 K HN 0.417 nan 8.250 nan 0.000 0.531 332 A N 1.515 124.264 122.820 -0.119 0.000 3.127 332 A HA 0.389 4.709 4.320 -0.000 0.000 0.319 332 A C -0.920 176.716 177.584 0.087 0.000 1.104 332 A CA -0.581 51.408 52.037 -0.079 0.000 0.802 332 A CB 0.758 19.689 19.000 -0.114 0.000 1.193 332 A HN 0.041 nan 8.150 nan 0.000 0.479 333 V N 1.240 121.181 119.914 0.046 0.000 2.973 333 V HA 0.790 4.910 4.120 -0.000 0.000 0.314 333 V C -0.364 175.813 176.094 0.139 0.000 1.066 333 V CA -0.129 62.180 62.300 0.014 0.000 1.021 333 V CB 1.715 33.447 31.823 -0.152 0.000 1.076 333 V HN 0.958 nan 8.190 nan 0.000 0.462 334 W N 1.737 123.029 121.300 -0.015 0.000 3.107 334 W HA 0.785 5.445 4.660 -0.000 0.000 0.331 334 W C -1.927 174.592 176.519 -0.000 0.000 1.204 334 W CA -1.121 56.214 57.345 -0.018 0.000 1.184 334 W CB 1.436 30.882 29.460 -0.024 0.000 1.421 334 W HN 0.257 nan 8.180 nan 0.000 0.544 335 V N 4.540 124.492 119.914 0.062 0.000 2.443 335 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 335 V C -0.086 176.047 176.094 0.065 0.000 1.002 335 V CA -0.915 61.390 62.300 0.009 0.000 0.840 335 V CB 0.533 32.362 31.823 0.010 0.000 1.042 335 V HN 0.765 nan 8.190 nan 0.000 0.446 336 L N 2.967 124.305 121.223 0.192 0.000 2.367 336 L HA 0.621 4.961 4.340 -0.000 0.000 0.275 336 L C 0.474 177.382 176.870 0.063 0.000 1.129 336 L CA 0.383 55.304 54.840 0.135 0.000 0.839 336 L CB 0.397 42.572 42.059 0.193 0.000 1.133 336 L HN 0.683 nan 8.230 nan 0.000 0.453 337 N N 2.258 120.965 118.700 0.011 0.000 2.531 337 N HA -0.097 4.643 4.740 -0.000 0.000 0.279 337 N C -2.597 172.921 175.510 0.013 0.000 1.267 337 N CA 0.585 53.641 53.050 0.011 0.000 0.663 337 N CB -0.605 37.907 38.487 0.043 0.000 0.886 337 N HN 0.692 nan 8.380 nan 0.000 0.544 338 P HA 0.420 nan 4.420 nan 0.000 0.284 338 P C -0.711 176.668 177.300 0.132 0.000 1.287 338 P CA -0.284 62.782 63.100 -0.056 0.000 0.824 338 P CB 0.961 32.267 31.700 -0.655 0.000 1.180 339 E N -0.436 119.998 120.200 0.389 0.000 2.317 339 E HA 0.531 4.881 4.350 -0.000 0.000 0.270 339 E C -0.932 175.882 176.600 0.357 0.000 0.885 339 E CA -1.279 55.283 56.400 0.271 0.000 0.760 339 E CB 1.971 31.788 29.700 0.194 0.000 1.227 339 E HN 0.471 nan 8.360 nan 0.000 0.434 340 A N 1.514 124.457 122.820 0.204 0.000 2.592 340 A HA 0.387 4.707 4.320 -0.000 0.000 0.250 340 A C 0.645 178.350 177.584 0.202 0.000 1.017 340 A CA 1.353 53.500 52.037 0.182 0.000 0.794 340 A CB -0.971 18.089 19.000 0.100 0.000 0.917 340 A HN 1.030 nan 8.150 nan 0.000 0.515 341 G N 1.824 110.772 108.800 0.247 0.000 2.358 341 G HA2 0.425 4.385 3.960 -0.000 0.000 0.301 341 G HA3 0.425 4.385 3.960 -0.000 0.000 0.301 341 G C -0.634 174.430 174.900 0.273 0.000 1.539 341 G CA -0.884 44.318 45.100 0.170 0.000 0.893 341 G HN 0.691 nan 8.290 nan 0.000 0.636 342 M N 1.407 121.094 119.600 0.145 0.000 2.974 342 M HA 0.221 4.701 4.480 -0.000 0.000 0.301 342 M C -0.456 175.952 176.300 0.180 0.000 1.409 342 M CA -0.235 55.165 55.300 0.166 0.000 1.515 342 M CB -0.279 32.373 32.600 0.086 0.000 1.163 342 M HN 0.446 nan 8.290 nan 0.000 0.520 343 W N 2.673 123.972 121.300 -0.002 0.000 2.274 343 W HA 0.030 4.690 4.660 -0.000 0.000 0.345 343 W C 0.450 176.966 176.519 -0.005 0.000 1.265 343 W CA 0.368 57.710 57.345 -0.005 0.000 1.293 343 W CB 0.135 29.593 29.460 -0.003 0.000 1.175 343 W HN 0.451 nan 8.180 nan 0.000 0.577 344 Q N 2.322 122.223 119.800 0.168 0.000 2.330 344 Q HA 0.398 4.738 4.340 -0.000 0.000 0.269 344 Q C -1.038 175.022 176.000 0.101 0.000 1.022 344 Q CA -0.885 54.975 55.803 0.095 0.000 0.796 344 Q CB 2.388 31.137 28.738 0.019 0.000 1.271 344 Q HN 0.465 nan 8.270 nan 0.000 0.450 345 C N 3.869 123.221 119.300 0.087 0.000 2.330 345 C HA 0.697 5.157 4.460 -0.000 0.000 0.344 345 C C -1.103 173.902 174.990 0.025 0.000 1.273 345 C CA -0.311 58.746 59.018 0.065 0.000 1.879 345 C CB -0.414 27.363 27.740 0.063 0.000 2.376 345 C HN 0.691 nan 8.230 nan 0.000 0.534 346 L N 6.915 128.139 121.223 0.002 0.000 2.381 346 L HA 0.617 4.957 4.340 -0.000 0.000 0.274 346 L C -0.434 176.411 176.870 -0.041 0.000 0.988 346 L CA -0.180 54.646 54.840 -0.023 0.000 0.824 346 L CB 1.556 43.596 42.059 -0.032 0.000 1.263 346 L HN 0.518 nan 8.230 nan 0.000 0.410 347 L N 2.330 123.517 121.223 -0.060 0.000 2.341 347 L HA 0.787 5.127 4.340 -0.000 0.000 0.278 347 L C -0.310 176.485 176.870 -0.125 0.000 1.005 347 L CA 0.448 55.237 54.840 -0.085 0.000 0.818 347 L CB 1.728 43.735 42.059 -0.086 0.000 1.259 347 L HN 0.812 nan 8.230 nan 0.000 0.418 348 S N 3.425 119.058 115.700 -0.112 0.000 4.294 348 S HA 0.661 5.131 4.470 -0.000 0.000 0.254 348 S C -1.889 172.656 174.600 -0.091 0.000 1.087 348 S CA -0.064 58.067 58.200 -0.116 0.000 1.452 348 S CB 1.066 64.218 63.200 -0.080 0.000 1.502 348 S HN 0.821 nan 8.310 nan 0.000 0.698 349 D N -1.092 119.272 120.400 -0.059 0.000 2.369 349 D HA 0.291 4.931 4.640 -0.000 0.000 0.164 349 D C 0.181 176.465 176.300 -0.026 0.000 0.891 349 D CA 0.997 54.977 54.000 -0.034 0.000 1.027 349 D CB -0.041 40.745 40.800 -0.023 0.000 4.453 349 D HN 0.764 nan 8.370 nan 0.000 0.493 350 S N 1.721 117.409 115.700 -0.019 0.000 2.859 350 S HA -0.267 4.203 4.470 -0.000 0.000 0.245 350 S C 1.481 176.069 174.600 -0.020 0.000 1.352 350 S CA 2.109 60.300 58.200 -0.015 0.000 2.857 350 S CB -1.662 61.533 63.200 -0.008 0.000 1.421 350 S HN 1.613 nan 8.310 nan 0.000 0.495 351 G N 1.184 109.970 108.800 -0.023 0.000 3.990 351 G HA2 0.259 4.219 3.960 -0.000 0.000 0.204 351 G HA3 0.259 4.219 3.960 -0.000 0.000 0.204 351 G C -0.229 174.653 174.900 -0.030 0.000 1.420 351 G CA 0.415 45.499 45.100 -0.025 0.000 0.942 351 G HN 0.686 nan 8.290 nan 0.000 0.606 352 Q N 2.106 121.890 119.800 -0.026 0.000 2.255 352 Q HA 0.392 4.732 4.340 -0.000 0.000 0.280 352 Q C 0.160 176.131 176.000 -0.049 0.000 1.068 352 Q CA -0.278 55.508 55.803 -0.028 0.000 0.911 352 Q CB 0.879 29.608 28.738 -0.015 0.000 1.157 352 Q HN 0.158 nan 8.270 nan 0.000 0.380 353 V N 6.658 126.543 119.914 -0.049 0.000 2.509 353 V HA -0.147 3.973 4.120 -0.000 0.000 0.297 353 V C 1.309 177.344 176.094 -0.098 0.000 1.014 353 V CA 0.593 62.853 62.300 -0.066 0.000 1.127 353 V CB -0.188 31.608 31.823 -0.046 0.000 0.925 353 V HN 0.885 nan 8.190 nan 0.000 0.480 354 L N 4.173 125.295 121.223 -0.168 0.000 2.255 354 L HA 0.311 4.651 4.340 -0.000 0.000 0.196 354 L C 0.517 177.256 176.870 -0.217 0.000 1.202 354 L CA 0.411 55.060 54.840 -0.318 0.000 0.819 354 L CB 0.049 41.757 42.059 -0.585 0.000 1.006 354 L HN 0.409 nan 8.230 nan 0.000 0.480 355 L N 0.276 121.390 121.223 -0.181 0.000 2.295 355 L HA 0.311 4.650 4.340 -0.000 0.000 0.285 355 L C -0.466 176.390 176.870 -0.023 0.000 1.035 355 L CA 0.072 54.878 54.840 -0.057 0.000 0.806 355 L CB 1.568 43.617 42.059 -0.017 0.000 1.214 355 L HN 0.155 nan 8.230 nan 0.000 0.426 356 E N 1.569 121.773 120.200 0.006 0.000 2.241 356 E HA 0.483 4.832 4.350 -0.000 0.000 0.263 356 E C -1.524 175.095 176.600 0.031 0.000 0.882 356 E CA -0.338 56.070 56.400 0.012 0.000 0.769 356 E CB 1.685 31.389 29.700 0.006 0.000 1.185 356 E HN 0.479 nan 8.360 nan 0.000 0.415 357 S N 3.187 118.911 115.700 0.041 0.000 2.789 357 S HA 0.360 4.830 4.470 -0.000 0.000 0.286 357 S C -0.834 173.805 174.600 0.064 0.000 1.153 357 S CA -0.844 57.387 58.200 0.052 0.000 1.084 357 S CB 0.844 64.080 63.200 0.060 0.000 1.036 357 S HN 0.484 nan 8.310 nan 0.000 0.484 358 N N 1.809 120.546 118.700 0.060 0.000 2.530 358 N HA 0.763 5.503 4.740 -0.000 0.000 0.277 358 N C -0.732 174.826 175.510 0.080 0.000 1.168 358 N CA -0.255 52.841 53.050 0.076 0.000 0.979 358 N CB 0.703 39.225 38.487 0.058 0.000 1.141 358 N HN 0.603 nan 8.380 nan 0.000 0.459 359 I N -0.356 120.280 120.570 0.110 0.000 2.771 359 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 359 I C -1.649 174.543 176.117 0.126 0.000 1.527 359 I CA -0.651 60.702 61.300 0.088 0.000 1.024 359 I CB 1.292 39.327 38.000 0.058 0.000 1.388 359 I HN 0.549 nan 8.210 nan 0.000 0.447 360 K N 5.643 126.093 120.400 0.084 0.000 2.185 360 K HA 0.905 5.225 4.320 -0.000 0.000 0.240 360 K C -1.429 175.188 176.600 0.028 0.000 0.983 360 K CA -0.957 55.396 56.287 0.110 0.000 0.873 360 K CB 2.134 34.693 32.500 0.099 0.000 1.118 360 K HN 0.276 nan 8.250 nan 0.000 0.441 361 V N 2.101 122.047 119.914 0.054 0.000 2.715 361 V HA 0.210 4.330 4.120 -0.000 0.000 0.310 361 V C 1.107 177.218 176.094 0.028 0.000 1.054 361 V CA -0.886 61.400 62.300 -0.023 0.000 0.928 361 V CB 1.367 33.139 31.823 -0.085 0.000 1.007 361 V HN 0.766 nan 8.190 nan 0.000 0.437 362 L N 1.816 123.041 121.223 0.003 0.000 2.004 362 L HA 0.245 4.585 4.340 -0.000 0.000 0.205 362 L C -0.747 176.137 176.870 0.023 0.000 1.089 362 L CA 0.152 55.000 54.840 0.014 0.000 0.756 362 L CB -2.121 39.939 42.059 0.001 0.000 0.900 362 L HN 0.478 nan 8.230 nan 0.000 0.440 363 P HA 0.000 nan 4.420 nan 0.000 0.216 363 P CA 0.000 63.114 63.100 0.023 0.000 0.800 363 P CB 0.000 31.710 31.700 0.017 0.000 0.726