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 1tvk_1_A DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LITGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR IRKLADQCTG LQGFSVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLI GQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRGHFPLAT YAPVISAEKA YHEQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYEPPT VVPGGDLAKV QRAVCMLSNT TAIAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGVDS 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.272 176.300 -0.046 0.000 0.893 2 R CA 0.000 56.078 56.100 -0.037 0.000 0.921 2 R CB 0.000 30.286 30.300 -0.023 0.000 0.687 3 E N 0.824 120.985 120.200 -0.066 0.000 2.238 3 E HA 0.260 4.623 4.350 0.021 0.000 0.267 3 E C -1.514 175.020 176.600 -0.109 0.000 0.887 3 E CA -0.460 55.898 56.400 -0.070 0.000 0.769 3 E CB 2.352 32.014 29.700 -0.063 0.000 1.187 3 E HN 0.231 nan 8.360 nan 0.000 0.416 4 C N 5.950 125.212 119.300 -0.063 0.000 2.271 4 C HA 0.472 4.945 4.460 0.021 0.000 0.323 4 C C -0.102 174.874 174.990 -0.023 0.000 1.245 4 C CA -0.767 58.213 59.018 -0.064 0.000 1.548 4 C CB -0.938 26.827 27.740 0.042 0.000 2.214 4 C HN 0.515 nan 8.230 nan 0.000 0.477 5 I N 4.964 125.439 120.570 -0.159 0.000 2.529 5 I HA 0.233 4.415 4.170 0.021 0.000 0.284 5 I C 0.760 176.946 176.117 0.114 0.000 1.082 5 I CA 0.838 62.127 61.300 -0.017 0.000 1.406 5 I CB 1.452 39.445 38.000 -0.012 0.000 1.405 5 I HN 0.760 nan 8.210 nan 0.000 0.548 6 S N 6.952 122.690 115.700 0.064 0.000 2.473 6 S HA 0.699 5.182 4.470 0.021 0.000 0.307 6 S C -0.571 173.844 174.600 -0.308 0.000 1.094 6 S CA -0.650 57.507 58.200 -0.071 0.000 1.070 6 S CB 0.693 63.833 63.200 -0.100 0.000 1.019 6 S HN 0.354 nan 8.310 nan 0.000 0.480 7 I N 5.060 125.438 120.570 -0.320 0.000 2.406 7 I HA 0.448 4.630 4.170 0.021 0.000 0.290 7 I C -0.663 175.158 176.117 -0.492 0.000 0.999 7 I CA -0.799 60.305 61.300 -0.326 0.000 1.124 7 I CB 1.459 39.401 38.000 -0.096 0.000 1.289 7 I HN 0.538 nan 8.210 nan 0.000 0.441 8 H N 5.533 124.385 119.070 -0.363 0.000 2.860 8 H HA 0.468 5.037 4.556 0.021 0.000 0.312 8 H C -0.920 174.293 175.328 -0.191 0.000 0.995 8 H CA -0.419 55.397 56.048 -0.387 0.000 1.311 8 H CB 2.454 31.574 29.762 -1.070 0.000 1.478 8 H HN 0.390 nan 8.280 nan 0.000 0.508 9 V N 2.281 122.258 119.914 0.104 0.000 2.769 9 V HA 0.802 4.935 4.120 0.021 0.000 0.312 9 V C 0.155 176.303 176.094 0.089 0.000 1.061 9 V CA 0.542 62.875 62.300 0.055 0.000 0.931 9 V CB 1.613 33.488 31.823 0.087 0.000 1.010 9 V HN 1.046 nan 8.190 nan 0.000 0.433 10 G N 3.954 112.755 108.800 0.001 0.000 2.801 10 G HA2 -0.235 3.738 3.960 0.021 0.000 0.686 10 G HA3 -0.235 3.738 3.960 0.021 0.000 0.686 10 G C 0.246 175.165 174.900 0.031 0.000 1.507 10 G CA 0.788 45.903 45.100 0.024 0.000 0.980 10 G HN 1.385 nan 8.290 nan 0.000 0.589 11 Q N 0.867 120.673 119.800 0.009 0.000 2.065 11 Q HA -0.273 4.079 4.340 0.021 0.000 0.213 11 Q C 3.094 179.081 176.000 -0.022 0.000 1.012 11 Q CA 3.766 59.565 55.803 -0.007 0.000 0.876 11 Q CB -0.398 28.337 28.738 -0.005 0.000 0.954 11 Q HN 1.615 nan 8.270 nan 0.000 0.413 12 A N 0.248 123.052 122.820 -0.028 0.000 1.848 12 A HA -0.249 4.083 4.320 0.021 0.000 0.217 12 A C 2.288 179.870 177.584 -0.004 0.000 1.220 12 A CA 2.343 54.342 52.037 -0.063 0.000 0.645 12 A CB -1.931 17.046 19.000 -0.038 0.000 0.842 12 A HN 0.683 nan 8.150 nan 0.000 0.451 13 G N -0.989 107.865 108.800 0.090 0.000 2.624 13 G HA2 -0.275 3.698 3.960 0.021 0.000 0.221 13 G HA3 -0.275 3.698 3.960 0.021 0.000 0.221 13 G C 1.450 176.387 174.900 0.062 0.000 1.169 13 G CA 1.749 46.947 45.100 0.165 0.000 0.771 13 G HN 0.544 nan 8.290 nan 0.000 0.598 14 V N 0.186 120.147 119.914 0.078 0.000 2.970 14 V HA -0.100 4.032 4.120 0.021 0.000 0.260 14 V C 2.617 178.707 176.094 -0.005 0.000 1.100 14 V CA 1.781 64.178 62.300 0.163 0.000 1.122 14 V CB -0.089 31.836 31.823 0.169 0.000 0.721 14 V HN 0.447 nan 8.190 nan 0.000 0.483 15 Q N -0.260 119.500 119.800 -0.067 0.000 2.019 15 Q HA 0.025 4.377 4.340 0.021 0.000 0.195 15 Q C 2.385 178.285 176.000 -0.167 0.000 0.981 15 Q CA 1.408 57.140 55.803 -0.117 0.000 0.832 15 Q CB -0.196 28.461 28.738 -0.135 0.000 0.902 15 Q HN 0.607 nan 8.270 nan 0.000 0.461 16 I N 0.442 120.916 120.570 -0.161 0.000 2.121 16 I HA -0.292 3.891 4.170 0.021 0.000 0.243 16 I C 1.952 177.882 176.117 -0.310 0.000 1.047 16 I CA 2.298 63.499 61.300 -0.165 0.000 1.308 16 I CB -0.621 37.361 38.000 -0.030 0.000 1.015 16 I HN 0.267 nan 8.210 nan 0.000 0.410 17 G N 0.357 108.869 108.800 -0.480 0.000 2.418 17 G HA2 -0.368 3.604 3.960 0.021 0.000 0.217 17 G HA3 -0.368 3.604 3.960 0.021 0.000 0.217 17 G C 1.366 175.950 174.900 -0.526 0.000 1.158 17 G CA 1.034 45.575 45.100 -0.931 0.000 0.771 17 G HN 0.549 nan 8.290 nan 0.000 0.545 18 N N 0.661 119.186 118.700 -0.293 0.000 2.588 18 N HA 0.066 4.819 4.740 0.021 0.000 0.190 18 N C 1.924 177.308 175.510 -0.210 0.000 1.094 18 N CA 1.143 54.088 53.050 -0.175 0.000 0.921 18 N CB -0.093 38.282 38.487 -0.187 0.000 0.959 18 N HN 0.296 nan 8.380 nan 0.000 0.448 19 A N -1.112 121.570 122.820 -0.231 0.000 2.085 19 A HA 0.066 4.398 4.320 0.021 0.000 0.208 19 A C 2.420 179.862 177.584 -0.237 0.000 1.191 19 A CA 0.512 52.426 52.037 -0.204 0.000 0.799 19 A CB -0.698 18.205 19.000 -0.162 0.000 0.877 19 A HN 0.600 nan 8.150 nan 0.000 0.473 20 C N -3.094 116.013 119.300 -0.321 0.000 2.485 20 C HA 0.074 4.546 4.460 0.021 0.000 0.278 20 C C 2.153 176.883 174.990 -0.434 0.000 1.356 20 C CA 0.295 59.067 59.018 -0.410 0.000 1.747 20 C CB -1.417 25.984 27.740 -0.565 0.000 2.001 20 C HN 0.701 nan 8.230 nan 0.000 0.501 21 W N 1.716 122.729 121.300 -0.479 0.000 3.180 21 W HA 0.171 4.844 4.660 0.021 0.000 0.254 21 W C 2.133 178.508 176.519 -0.240 0.000 1.318 21 W CA 0.647 57.837 57.345 -0.258 0.000 1.608 21 W CB -0.070 29.363 29.460 -0.045 0.000 1.124 21 W HN 0.565 nan 8.180 nan 0.000 0.694 22 E N 0.287 120.345 120.200 -0.238 0.000 2.251 22 E HA -0.097 4.265 4.350 0.021 0.000 0.194 22 E C 1.979 178.524 176.600 -0.092 0.000 0.964 22 E CA 0.273 56.449 56.400 -0.373 0.000 0.868 22 E CB -0.156 29.304 29.700 -0.399 0.000 0.828 22 E HN 0.275 nan 8.360 nan 0.000 0.481 23 L N 0.443 121.608 121.223 -0.096 0.000 2.341 23 L HA 0.037 4.389 4.340 0.021 0.000 0.214 23 L C 1.972 178.867 176.870 0.042 0.000 1.115 23 L CA 0.759 55.588 54.840 -0.019 0.000 0.820 23 L CB -0.367 41.664 42.059 -0.047 0.000 0.944 23 L HN 0.156 nan 8.230 nan 0.000 0.452 24 Y N -0.282 119.875 120.300 -0.239 0.000 2.026 24 Y HA -0.469 4.094 4.550 0.021 0.000 0.253 24 Y C 2.909 178.613 175.900 -0.326 0.000 1.098 24 Y CA 1.635 59.493 58.100 -0.405 0.000 1.074 24 Y CB -0.577 37.463 38.460 -0.700 0.000 0.971 24 Y HN 0.454 nan 8.280 nan 0.000 0.482 25 C N -0.024 119.213 119.300 -0.105 0.000 2.396 25 C HA -0.240 4.233 4.460 0.021 0.000 0.277 25 C C 2.449 177.488 174.990 0.082 0.000 1.231 25 C CA 0.459 59.468 59.018 -0.015 0.000 1.775 25 C CB -1.913 25.869 27.740 0.071 0.000 2.036 25 C HN 0.680 nan 8.230 nan 0.000 0.484 26 L N 3.105 124.388 121.223 0.101 0.000 1.978 26 L HA -0.199 4.154 4.340 0.021 0.000 0.218 26 L C 2.470 179.411 176.870 0.118 0.000 1.075 26 L CA 2.682 57.588 54.840 0.111 0.000 0.767 26 L CB -1.076 41.043 42.059 0.100 0.000 0.890 26 L HN 0.676 nan 8.230 nan 0.000 0.434 27 E N -2.232 118.047 120.200 0.133 0.000 2.320 27 E HA -0.061 4.302 4.350 0.021 0.000 0.189 27 E C 0.360 177.189 176.600 0.381 0.000 1.100 27 E CA 0.281 56.804 56.400 0.207 0.000 1.009 27 E CB -0.609 29.222 29.700 0.218 0.000 1.145 27 E HN 0.724 nan 8.360 nan 0.000 0.454 28 H N -0.182 118.912 119.070 0.040 0.000 2.885 28 H HA 0.180 4.748 4.556 0.021 0.000 0.254 28 H C 0.502 175.842 175.328 0.019 0.000 1.185 28 H CA -0.287 55.776 56.048 0.025 0.000 1.029 28 H CB 1.208 30.945 29.762 -0.042 0.000 1.743 28 H HN 0.428 nan 8.280 nan 0.000 0.632 29 G N 2.232 111.103 108.800 0.118 0.000 2.424 29 G HA2 -0.273 3.699 3.960 0.021 0.000 0.294 29 G HA3 -0.273 3.699 3.960 0.021 0.000 0.294 29 G C -0.052 174.878 174.900 0.050 0.000 0.939 29 G CA 0.717 45.856 45.100 0.064 0.000 1.143 29 G HN 0.462 nan 8.290 nan 0.000 0.507 30 I N 0.727 121.332 120.570 0.059 0.000 2.603 30 I HA 0.122 4.305 4.170 0.021 0.000 0.276 30 I C 0.693 176.825 176.117 0.025 0.000 1.133 30 I CA -1.022 60.302 61.300 0.040 0.000 1.070 30 I CB 0.857 38.887 38.000 0.051 0.000 1.215 30 I HN 0.332 nan 8.210 nan 0.000 0.487 31 Q N 4.786 124.588 119.800 0.003 0.000 2.714 31 Q HA -0.030 4.322 4.340 0.021 0.000 0.269 31 Q C -1.646 174.309 176.000 -0.074 0.000 1.189 31 Q CA -0.779 55.004 55.803 -0.034 0.000 1.039 31 Q CB -0.290 28.428 28.738 -0.032 0.000 1.339 31 Q HN 0.292 nan 8.270 nan 0.000 0.537 32 P HA -0.247 nan 4.420 nan 0.000 0.226 32 P C 0.272 177.506 177.300 -0.110 0.000 1.154 32 P CA 2.067 65.038 63.100 -0.215 0.000 0.918 32 P CB 0.128 31.707 31.700 -0.201 0.000 0.790 33 D N -3.482 116.882 120.400 -0.059 0.000 2.525 33 D HA 0.143 4.795 4.640 0.021 0.000 0.231 33 D C 1.115 177.413 176.300 -0.004 0.000 1.216 33 D CA 0.084 54.069 54.000 -0.024 0.000 0.813 33 D CB 0.440 41.225 40.800 -0.023 0.000 1.108 33 D HN 0.074 nan 8.370 nan 0.000 0.524 62 V N 2.943 122.971 119.914 0.189 0.000 3.077 62 V HA 0.447 4.579 4.120 0.021 0.000 0.299 62 V C -2.314 173.809 176.094 0.048 0.000 1.276 62 V CA -1.304 61.074 62.300 0.130 0.000 0.993 62 V CB 2.093 34.005 31.823 0.148 0.000 1.076 62 V HN 0.593 nan 8.190 nan 0.000 0.434 63 P HA 0.395 nan 4.420 nan 0.000 0.323 63 P C -0.994 176.476 177.300 0.283 0.000 1.319 63 P CA -0.099 63.215 63.100 0.356 0.000 0.741 63 P CB 0.467 32.385 31.700 0.365 0.000 1.545 64 R N -2.135 118.612 120.500 0.411 0.000 2.430 64 R HA 0.643 4.996 4.340 0.021 0.000 0.325 64 R C -0.346 176.003 176.300 0.082 0.000 1.048 64 R CA -0.432 55.795 56.100 0.211 0.000 1.183 64 R CB -0.438 29.999 30.300 0.228 0.000 1.406 64 R HN 0.453 nan 8.270 nan 0.000 0.694 65 A N 0.456 123.238 122.820 -0.063 0.000 3.671 65 A HA 0.860 5.193 4.320 0.021 0.000 0.178 65 A C -0.515 177.028 177.584 -0.069 0.000 0.921 65 A CA -0.071 51.842 52.037 -0.205 0.000 1.117 65 A CB 1.296 19.941 19.000 -0.591 0.000 1.632 65 A HN 0.660 nan 8.150 nan 0.000 0.722 66 V N -0.382 119.460 119.914 -0.119 0.000 2.912 66 V HA 0.375 4.507 4.120 0.021 0.000 0.238 66 V C -2.342 173.707 176.094 -0.075 0.000 1.859 66 V CA -0.857 61.463 62.300 0.032 0.000 0.800 66 V CB -0.078 31.763 31.823 0.030 0.000 1.233 66 V HN 0.746 nan 8.190 nan 0.000 0.523 67 F N 5.978 125.906 119.950 -0.037 0.000 2.399 67 F HA 0.881 5.420 4.527 0.020 0.000 0.334 67 F C 0.442 176.190 175.800 -0.086 0.000 1.097 67 F CA -0.557 57.405 58.000 -0.063 0.000 1.076 67 F CB 2.016 40.924 39.000 -0.153 0.000 1.162 67 F HN 0.419 nan 8.300 nan 0.000 0.495 68 V N 1.851 121.776 119.914 0.018 0.000 2.851 68 V HA 0.562 4.695 4.120 0.021 0.000 0.307 68 V C -1.190 174.743 176.094 -0.268 0.000 1.129 68 V CA -0.697 61.514 62.300 -0.148 0.000 0.932 68 V CB 2.172 33.840 31.823 -0.259 0.000 1.024 68 V HN 0.663 nan 8.190 nan 0.000 0.426 69 D N 1.676 121.926 120.400 -0.250 0.000 2.599 69 D HA 0.609 5.262 4.640 0.021 0.000 0.252 69 D C -0.555 175.637 176.300 -0.180 0.000 1.232 69 D CA -0.463 53.405 54.000 -0.221 0.000 0.819 69 D CB 2.400 43.135 40.800 -0.108 0.000 1.401 69 D HN 0.471 nan 8.370 nan 0.000 0.429 70 L N 0.336 121.483 121.223 -0.127 0.000 3.218 70 L HA 0.509 4.861 4.340 0.021 0.000 0.279 70 L C 0.168 177.020 176.870 -0.031 0.000 1.287 70 L CA -0.274 54.529 54.840 -0.061 0.000 1.024 70 L CB 0.460 42.503 42.059 -0.027 0.000 1.409 70 L HN 0.105 nan 8.230 nan 0.000 0.580 71 E N 1.973 122.150 120.200 -0.039 0.000 2.565 71 E HA 0.192 4.555 4.350 0.021 0.000 0.343 71 E C -2.398 174.183 176.600 -0.031 0.000 0.968 71 E CA -1.145 55.240 56.400 -0.025 0.000 0.773 71 E CB 2.103 31.791 29.700 -0.020 0.000 1.513 71 E HN -0.102 nan 8.360 nan 0.000 0.384 72 P HA -0.269 nan 4.420 nan 0.000 0.212 72 P C 1.207 178.486 177.300 -0.036 0.000 0.886 72 P CA 1.779 64.860 63.100 -0.032 0.000 1.017 72 P CB -0.354 31.333 31.700 -0.023 0.000 0.686 73 T N -0.180 114.357 114.554 -0.028 0.000 2.850 73 T HA -0.272 4.090 4.350 0.021 0.000 0.232 73 T C 1.811 176.489 174.700 -0.037 0.000 1.186 73 T CA 2.795 64.878 62.100 -0.028 0.000 1.104 73 T CB -1.567 67.291 68.868 -0.017 0.000 0.792 73 T HN -0.006 nan 8.240 nan 0.000 0.505 74 V N 1.521 121.413 119.914 -0.037 0.000 2.223 74 V HA -0.160 3.973 4.120 0.021 0.000 0.244 74 V C 2.512 178.559 176.094 -0.078 0.000 1.045 74 V CA 1.900 64.173 62.300 -0.045 0.000 1.000 74 V CB -0.654 31.149 31.823 -0.034 0.000 0.635 74 V HN 0.461 nan 8.190 nan 0.000 0.445 75 I N 0.540 121.061 120.570 -0.083 0.000 2.194 75 I HA -0.274 3.908 4.170 0.021 0.000 0.246 75 I C 2.298 178.327 176.117 -0.148 0.000 1.093 75 I CA 2.145 63.368 61.300 -0.129 0.000 1.355 75 I CB -1.389 36.551 38.000 -0.100 0.000 1.046 75 I HN 0.387 nan 8.210 nan 0.000 0.413 76 D N 0.701 121.042 120.400 -0.097 0.000 2.218 76 D HA -0.192 4.460 4.640 0.021 0.000 0.204 76 D C 1.860 178.110 176.300 -0.084 0.000 0.976 76 D CA 0.794 54.745 54.000 -0.082 0.000 0.853 76 D CB 0.067 40.836 40.800 -0.052 0.000 0.939 76 D HN 0.141 nan 8.370 nan 0.000 0.481 77 E N -0.912 119.239 120.200 -0.082 0.000 2.516 77 E HA -0.017 4.345 4.350 0.021 0.000 0.199 77 E C 1.517 178.060 176.600 -0.095 0.000 1.069 77 E CA 0.026 56.385 56.400 -0.069 0.000 0.876 77 E CB 0.270 29.940 29.700 -0.049 0.000 0.843 77 E HN 0.163 nan 8.360 nan 0.000 0.530 78 V N 0.529 120.346 119.914 -0.161 0.000 2.423 78 V HA -0.079 4.054 4.120 0.021 0.000 0.233 78 V C 0.956 176.952 176.094 -0.164 0.000 1.067 78 V CA 1.043 63.205 62.300 -0.231 0.000 1.073 78 V CB -0.226 31.299 31.823 -0.496 0.000 0.715 78 V HN 0.242 nan 8.190 nan 0.000 0.485 79 R N 1.197 121.581 120.500 -0.193 0.000 4.828 79 R HA 0.090 4.442 4.340 0.021 0.000 0.167 79 R C 0.332 176.596 176.300 -0.060 0.000 2.071 79 R CA 1.043 57.076 56.100 -0.112 0.000 1.630 79 R CB -0.478 29.753 30.300 -0.116 0.000 1.359 79 R HN 0.403 nan 8.270 nan 0.000 0.834 80 T N -2.101 112.429 114.554 -0.040 0.000 4.326 80 T HA 0.189 4.551 4.350 0.021 0.000 0.311 80 T C -0.147 174.548 174.700 -0.009 0.000 0.899 80 T CA 0.128 62.215 62.100 -0.023 0.000 0.760 80 T CB -0.030 68.821 68.868 -0.029 0.000 1.075 80 T HN 0.660 nan 8.240 nan 0.000 0.708 81 G N 0.258 109.060 108.800 0.002 0.000 2.753 81 G HA2 0.509 4.482 3.960 0.021 0.000 0.303 81 G HA3 0.509 4.482 3.960 0.021 0.000 0.303 81 G C -0.827 174.109 174.900 0.059 0.000 1.242 81 G CA 0.024 45.138 45.100 0.024 0.000 0.810 81 G HN 0.223 nan 8.290 nan 0.000 0.515 82 T N 0.445 115.056 114.554 0.094 0.000 2.923 82 T HA 0.153 4.516 4.350 0.021 0.000 0.304 82 T C 0.340 175.236 174.700 0.327 0.000 1.044 82 T CA 1.707 63.898 62.100 0.152 0.000 1.141 82 T CB -0.097 68.924 68.868 0.255 0.000 1.023 82 T HN 0.792 nan 8.240 nan 0.000 0.533 83 Y N -0.954 119.422 120.300 0.127 0.000 4.784 83 Y HA -0.336 4.227 4.550 0.021 0.000 0.278 83 Y C 2.070 178.173 175.900 0.337 0.000 0.980 83 Y CA 1.050 59.304 58.100 0.257 0.000 1.845 83 Y CB -1.614 37.094 38.460 0.414 0.000 1.177 83 Y HN 0.676 nan 8.280 nan 0.000 0.460 84 R N 0.654 121.308 120.500 0.255 0.000 2.178 84 R HA -0.284 4.069 4.340 0.021 0.000 0.257 84 R C 1.466 177.897 176.300 0.219 0.000 1.163 84 R CA 2.256 58.449 56.100 0.154 0.000 0.981 84 R CB -0.163 30.169 30.300 0.053 0.000 0.878 84 R HN 0.414 nan 8.270 nan 0.000 0.454 85 Q N 0.113 120.011 119.800 0.163 0.000 2.280 85 Q HA 0.019 4.372 4.340 0.021 0.000 0.202 85 Q C 0.564 176.628 176.000 0.106 0.000 0.903 85 Q CA 0.140 56.008 55.803 0.108 0.000 0.948 85 Q CB 0.631 29.386 28.738 0.028 0.000 1.058 85 Q HN 0.223 nan 8.270 nan 0.000 0.493 86 L N 0.049 121.373 121.223 0.168 0.000 2.685 86 L HA 0.322 4.674 4.340 0.021 0.000 0.233 86 L C -1.096 175.584 176.870 -0.317 0.000 1.173 86 L CA 0.278 55.072 54.840 -0.077 0.000 0.961 86 L CB -0.056 41.928 42.059 -0.125 0.000 1.217 86 L HN -0.173 nan 8.230 nan 0.000 0.478 87 F N -1.891 118.162 119.950 0.171 0.000 2.591 87 F HA 0.421 4.962 4.527 0.022 0.000 0.309 87 F C -0.117 175.795 175.800 0.186 0.000 1.098 87 F CA -1.068 57.056 58.000 0.207 0.000 0.937 87 F CB 0.802 39.852 39.000 0.083 0.000 1.250 87 F HN -0.167 nan 8.300 nan 0.000 0.447 88 H N 3.612 122.827 119.070 0.242 0.000 2.690 88 H HA 0.217 4.786 4.556 0.021 0.000 0.314 88 H C -1.610 173.800 175.328 0.136 0.000 1.069 88 H CA -1.975 54.166 56.048 0.155 0.000 1.436 88 H CB 0.787 30.623 29.762 0.123 0.000 1.462 88 H HN 0.265 nan 8.280 nan 0.000 0.511 89 P HA -0.215 nan 4.420 nan 0.000 0.221 89 P C 0.384 177.755 177.300 0.119 0.000 1.141 89 P CA 1.256 64.424 63.100 0.113 0.000 0.794 89 P CB 0.504 32.246 31.700 0.070 0.000 0.764 90 E N 0.271 120.567 120.200 0.160 0.000 2.047 90 E HA -0.176 4.187 4.350 0.021 0.000 0.191 90 E C 2.401 179.073 176.600 0.120 0.000 0.987 90 E CA 1.047 57.521 56.400 0.124 0.000 0.799 90 E CB -0.519 29.256 29.700 0.124 0.000 0.752 90 E HN 0.409 nan 8.360 nan 0.000 0.449 91 Q N 0.718 120.612 119.800 0.157 0.000 2.061 91 Q HA -0.094 4.259 4.340 0.021 0.000 0.204 91 Q C 1.195 177.291 176.000 0.159 0.000 0.984 91 Q CA 0.810 56.711 55.803 0.164 0.000 0.846 91 Q CB -0.254 28.626 28.738 0.236 0.000 0.902 91 Q HN 0.276 nan 8.270 nan 0.000 0.421 92 L N 2.446 123.752 121.223 0.138 0.000 3.461 92 L HA 0.014 4.366 4.340 0.021 0.000 0.246 92 L C 0.119 177.016 176.870 0.045 0.000 1.454 92 L CA -0.282 54.598 54.840 0.067 0.000 1.091 92 L CB -0.965 41.074 42.059 -0.034 0.000 1.512 92 L HN 0.256 nan 8.230 nan 0.000 0.444 93 I N -0.043 120.564 120.570 0.061 0.000 2.880 93 I HA -0.070 4.113 4.170 0.021 0.000 0.296 93 I C 0.663 176.778 176.117 -0.003 0.000 1.220 93 I CA 1.080 62.401 61.300 0.034 0.000 1.435 93 I CB 0.452 38.479 38.000 0.045 0.000 1.339 93 I HN 0.238 nan 8.210 nan 0.000 0.583 94 T N 3.622 118.168 114.554 -0.013 0.000 3.012 94 T HA 0.505 4.867 4.350 0.021 0.000 0.330 94 T C -0.396 174.290 174.700 -0.024 0.000 1.321 94 T CA -0.568 61.511 62.100 -0.035 0.000 1.067 94 T CB 1.806 70.654 68.868 -0.034 0.000 1.235 94 T HN 0.822 nan 8.240 nan 0.000 0.479 95 G N 1.254 110.033 108.800 -0.035 0.000 2.415 95 G HA2 0.557 4.530 3.960 0.021 0.000 0.327 95 G HA3 0.557 4.530 3.960 0.021 0.000 0.327 95 G C 0.199 175.093 174.900 -0.010 0.000 1.182 95 G CA -0.917 44.175 45.100 -0.014 0.000 0.924 95 G HN 0.752 nan 8.290 nan 0.000 0.470 96 K N 1.120 121.521 120.400 0.001 0.000 2.708 96 K HA 0.273 4.606 4.320 0.021 0.000 0.219 96 K C -0.148 176.458 176.600 0.010 0.000 1.068 96 K CA -0.237 56.051 56.287 0.003 0.000 1.212 96 K CB 0.388 32.892 32.500 0.006 0.000 0.978 96 K HN 0.288 nan 8.250 nan 0.000 0.475 97 E N 1.566 121.773 120.200 0.012 0.000 3.341 97 E HA 0.196 4.559 4.350 0.021 0.000 0.310 97 E C -0.832 175.779 176.600 0.017 0.000 0.616 97 E CA -0.493 55.919 56.400 0.021 0.000 2.067 97 E CB 0.181 29.899 29.700 0.031 0.000 2.001 97 E HN 0.260 nan 8.360 nan 0.000 0.503 98 D N -0.134 120.280 120.400 0.024 0.000 2.440 98 D HA 0.444 5.096 4.640 0.021 0.000 0.252 98 D C 0.294 176.603 176.300 0.016 0.000 1.180 98 D CA -0.258 53.752 54.000 0.017 0.000 0.894 98 D CB 1.518 42.332 40.800 0.023 0.000 1.111 98 D HN 0.379 nan 8.370 nan 0.000 0.544 99 A N 2.918 125.741 122.820 0.005 0.000 1.863 99 A HA 0.152 4.484 4.320 0.021 0.000 0.218 99 A C 1.220 178.809 177.584 0.008 0.000 1.233 99 A CA 1.406 53.447 52.037 0.008 0.000 0.655 99 A CB -0.985 18.014 19.000 -0.003 0.000 0.839 99 A HN 1.504 nan 8.150 nan 0.000 0.454 100 A N -1.729 121.081 122.820 -0.017 0.000 1.638 100 A HA -0.114 4.219 4.320 0.021 0.000 0.352 100 A C 0.145 177.702 177.584 -0.046 0.000 0.754 100 A CA 0.695 52.697 52.037 -0.057 0.000 0.472 100 A CB -1.919 17.032 19.000 -0.081 0.000 2.090 100 A HN 0.869 nan 8.150 nan 0.000 0.281 101 N N 1.495 120.161 118.700 -0.057 0.000 2.799 101 N HA -0.041 4.712 4.740 0.021 0.000 0.205 101 N C 0.302 175.812 175.510 0.001 0.000 1.640 101 N CA 1.106 54.147 53.050 -0.016 0.000 0.942 101 N CB -0.261 38.206 38.487 -0.032 0.000 1.262 101 N HN 0.808 nan 8.380 nan 0.000 0.485 102 N N -0.238 118.445 118.700 -0.028 0.000 2.446 102 N HA -0.016 4.737 4.740 0.021 0.000 0.265 102 N C 0.474 176.097 175.510 0.189 0.000 0.975 102 N CA -0.730 52.272 53.050 -0.080 0.000 0.928 102 N CB 0.807 39.049 38.487 -0.409 0.000 1.160 102 N HN 0.087 nan 8.380 nan 0.000 0.495 103 Y N 4.188 124.698 120.300 0.351 0.000 1.938 103 Y HA -0.366 4.196 4.550 0.020 0.000 0.253 103 Y C 2.224 178.353 175.900 0.381 0.000 1.163 103 Y CA 3.248 61.562 58.100 0.357 0.000 1.086 103 Y CB -0.819 37.859 38.460 0.363 0.000 0.928 103 Y HN 0.673 nan 8.280 nan 0.000 0.493 104 A N 0.051 123.221 122.820 0.583 0.000 2.310 104 A HA -0.287 4.046 4.320 0.021 0.000 0.216 104 A C 2.250 180.025 177.584 0.319 0.000 1.197 104 A CA 2.058 54.392 52.037 0.496 0.000 0.690 104 A CB -0.996 18.448 19.000 0.740 0.000 0.779 104 A HN 0.694 nan 8.150 nan 0.000 0.496 105 R N -1.860 118.758 120.500 0.197 0.000 2.250 105 R HA 0.092 4.445 4.340 0.021 0.000 0.194 105 R C 2.024 178.402 176.300 0.129 0.000 0.927 105 R CA 0.890 57.083 56.100 0.155 0.000 1.052 105 R CB -0.170 30.195 30.300 0.109 0.000 1.055 105 R HN 0.380 nan 8.270 nan 0.000 0.537 106 G N -0.701 108.163 108.800 0.106 0.000 2.494 106 G HA2 -0.192 3.780 3.960 0.021 0.000 0.216 106 G HA3 -0.192 3.780 3.960 0.021 0.000 0.216 106 G C 0.936 175.896 174.900 0.100 0.000 1.140 106 G CA 0.338 45.524 45.100 0.143 0.000 0.801 106 G HN 0.283 nan 8.290 nan 0.000 0.536 107 H N -0.476 118.485 119.070 -0.181 0.000 2.298 107 H HA 0.159 4.728 4.556 0.020 0.000 0.318 107 H C 2.099 177.280 175.328 -0.244 0.000 1.064 107 H CA 1.197 57.030 56.048 -0.359 0.000 1.415 107 H CB -0.250 29.091 29.762 -0.700 0.000 1.453 107 H HN 0.244 nan 8.280 nan 0.000 0.546 108 Y N 0.221 120.512 120.300 -0.016 0.000 2.337 108 Y HA -0.170 4.392 4.550 0.021 0.000 0.247 108 Y C 2.899 178.794 175.900 -0.009 0.000 1.036 108 Y CA 1.499 59.582 58.100 -0.028 0.000 1.041 108 Y CB -1.149 37.355 38.460 0.074 0.000 1.021 108 Y HN 0.206 nan 8.280 nan 0.000 0.473 109 T N 1.205 115.911 114.554 0.254 0.000 2.567 109 T HA -0.279 4.084 4.350 0.021 0.000 0.261 109 T C 1.798 176.560 174.700 0.103 0.000 1.123 109 T CA 2.877 65.067 62.100 0.150 0.000 1.166 109 T CB -0.774 68.180 68.868 0.143 0.000 0.860 109 T HN 0.589 nan 8.240 nan 0.000 0.436 110 I N -1.679 118.953 120.570 0.103 0.000 3.790 110 I HA 0.427 4.610 4.170 0.021 0.000 0.305 110 I C 2.529 178.708 176.117 0.104 0.000 1.253 110 I CA 0.638 61.992 61.300 0.089 0.000 1.355 110 I CB -0.660 37.391 38.000 0.084 0.000 1.137 110 I HN 0.248 nan 8.210 nan 0.000 0.435 111 G N 2.322 111.198 108.800 0.125 0.000 2.476 111 G HA2 -0.229 3.744 3.960 0.021 0.000 0.218 111 G HA3 -0.229 3.744 3.960 0.021 0.000 0.218 111 G C 1.603 176.554 174.900 0.085 0.000 1.164 111 G CA 0.725 45.952 45.100 0.212 0.000 0.768 111 G HN 0.175 nan 8.290 nan 0.000 0.560 112 K N 0.462 120.842 120.400 -0.032 0.000 2.113 112 K HA -0.095 4.237 4.320 0.021 0.000 0.208 112 K C 2.204 178.808 176.600 0.006 0.000 1.047 112 K CA 0.807 57.058 56.287 -0.060 0.000 0.928 112 K CB -0.315 32.145 32.500 -0.067 0.000 0.716 112 K HN 0.245 nan 8.250 nan 0.000 0.446 113 E N 0.689 120.912 120.200 0.040 0.000 2.448 113 E HA -0.164 4.198 4.350 0.021 0.000 0.203 113 E C 1.511 178.147 176.600 0.060 0.000 1.046 113 E CA 0.799 57.227 56.400 0.046 0.000 0.871 113 E CB 0.071 29.803 29.700 0.052 0.000 0.790 113 E HN 0.465 nan 8.360 nan 0.000 0.545 114 I N -3.964 116.663 120.570 0.095 0.000 4.827 114 I HA 0.027 4.210 4.170 0.021 0.000 0.362 114 I C 1.344 177.553 176.117 0.153 0.000 1.237 114 I CA -0.135 61.235 61.300 0.117 0.000 1.366 114 I CB -0.419 37.654 38.000 0.121 0.000 1.742 114 I HN -0.157 nan 8.210 nan 0.000 0.588 115 I N 2.996 123.636 120.570 0.116 0.000 2.113 115 I HA -0.212 3.970 4.170 0.021 0.000 0.238 115 I C 2.062 178.168 176.117 -0.018 0.000 1.070 115 I CA 1.883 63.189 61.300 0.009 0.000 1.332 115 I CB -0.551 37.314 38.000 -0.224 0.000 1.044 115 I HN 0.211 nan 8.210 nan 0.000 0.402 116 D N 0.563 120.940 120.400 -0.038 0.000 2.239 116 D HA -0.223 4.430 4.640 0.021 0.000 0.202 116 D C 2.039 178.338 176.300 -0.002 0.000 0.993 116 D CA 1.047 55.027 54.000 -0.034 0.000 0.874 116 D CB -0.116 40.665 40.800 -0.032 0.000 0.922 116 D HN 0.284 nan 8.370 nan 0.000 0.464 117 L N 0.469 121.706 121.223 0.024 0.000 2.156 117 L HA -0.106 4.247 4.340 0.021 0.000 0.208 117 L C 2.078 178.979 176.870 0.052 0.000 1.095 117 L CA 1.189 56.053 54.840 0.039 0.000 0.770 117 L CB -0.311 41.777 42.059 0.049 0.000 0.914 117 L HN -0.143 nan 8.230 nan 0.000 0.439 118 V N -0.914 119.042 119.914 0.069 0.000 2.346 118 V HA -0.192 3.941 4.120 0.021 0.000 0.244 118 V C 2.557 178.677 176.094 0.044 0.000 1.037 118 V CA 1.484 63.834 62.300 0.084 0.000 1.029 118 V CB -0.774 31.149 31.823 0.167 0.000 0.663 118 V HN 0.358 nan 8.190 nan 0.000 0.454 119 L N 0.282 121.509 121.223 0.007 0.000 2.051 119 L HA -0.257 4.095 4.340 0.021 0.000 0.214 119 L C 2.529 179.413 176.870 0.024 0.000 1.076 119 L CA 1.996 56.829 54.840 -0.011 0.000 0.758 119 L CB -0.659 41.370 42.059 -0.050 0.000 0.890 119 L HN 0.394 nan 8.230 nan 0.000 0.433 120 D N -0.392 120.022 120.400 0.023 0.000 2.078 120 D HA -0.178 4.475 4.640 0.021 0.000 0.193 120 D C 2.340 178.671 176.300 0.051 0.000 0.990 120 D CA 1.101 55.121 54.000 0.034 0.000 0.827 120 D CB 0.065 40.882 40.800 0.029 0.000 0.975 120 D HN 0.107 nan 8.370 nan 0.000 0.451 121 R N 0.471 121.003 120.500 0.054 0.000 2.097 121 R HA -0.157 4.196 4.340 0.021 0.000 0.236 121 R C 2.653 178.996 176.300 0.071 0.000 1.135 121 R CA 0.738 56.874 56.100 0.061 0.000 0.934 121 R CB -1.213 29.126 30.300 0.066 0.000 0.846 121 R HN 0.390 nan 8.270 nan 0.000 0.431 122 I N 0.381 120.997 120.570 0.078 0.000 2.068 122 I HA -0.353 3.830 4.170 0.021 0.000 0.238 122 I C 2.739 178.950 176.117 0.156 0.000 1.046 122 I CA 1.630 62.998 61.300 0.112 0.000 1.306 122 I CB -0.420 37.634 38.000 0.091 0.000 1.023 122 I HN 0.131 nan 8.210 nan 0.000 0.399 123 R N 1.060 121.661 120.500 0.168 0.000 2.115 123 R HA -0.213 4.139 4.340 0.021 0.000 0.239 123 R C 2.317 178.696 176.300 0.130 0.000 1.133 123 R CA 1.805 58.021 56.100 0.194 0.000 0.935 123 R CB -0.291 30.085 30.300 0.128 0.000 0.853 123 R HN 0.262 nan 8.270 nan 0.000 0.433 124 K N -0.177 120.276 120.400 0.088 0.000 2.144 124 K HA -0.228 4.104 4.320 0.021 0.000 0.209 124 K C 1.901 178.536 176.600 0.058 0.000 1.047 124 K CA 1.454 57.778 56.287 0.063 0.000 0.927 124 K CB -0.252 32.278 32.500 0.049 0.000 0.716 124 K HN 0.127 nan 8.250 nan 0.000 0.454 125 L N -0.130 121.134 121.223 0.068 0.000 2.341 125 L HA 0.007 4.360 4.340 0.021 0.000 0.214 125 L C 2.190 179.094 176.870 0.056 0.000 1.115 125 L CA 0.876 55.746 54.840 0.050 0.000 0.820 125 L CB -0.314 41.776 42.059 0.052 0.000 0.944 125 L HN 0.087 nan 8.230 nan 0.000 0.452 126 A N -0.440 122.441 122.820 0.102 0.000 1.855 126 A HA -0.214 4.119 4.320 0.021 0.000 0.215 126 A C 1.938 179.570 177.584 0.081 0.000 1.191 126 A CA 2.030 54.128 52.037 0.101 0.000 0.613 126 A CB -0.678 18.480 19.000 0.264 0.000 0.829 126 A HN 0.376 nan 8.150 nan 0.000 0.442 127 D N -1.020 119.437 120.400 0.096 0.000 2.224 127 D HA -0.035 4.617 4.640 0.021 0.000 0.205 127 D C 1.279 177.606 176.300 0.044 0.000 0.965 127 D CA 1.020 55.062 54.000 0.071 0.000 0.852 127 D CB -0.094 40.746 40.800 0.067 0.000 0.947 127 D HN 0.443 nan 8.370 nan 0.000 0.494 128 Q N 0.958 120.780 119.800 0.037 0.000 3.159 128 Q HA 0.185 4.538 4.340 0.021 0.000 0.280 128 Q C -1.097 174.911 176.000 0.013 0.000 1.403 128 Q CA -0.251 55.566 55.803 0.024 0.000 0.957 128 Q CB -0.994 27.754 28.738 0.016 0.000 1.729 128 Q HN 0.380 nan 8.270 nan 0.000 0.551 129 C N -2.610 116.699 119.300 0.014 0.000 3.056 129 C HA 0.497 4.970 4.460 0.021 0.000 0.336 129 C C -0.404 174.589 174.990 0.006 0.000 1.356 129 C CA -0.887 58.133 59.018 0.004 0.000 1.216 129 C CB 0.825 28.556 27.740 -0.015 0.000 1.391 129 C HN 0.376 nan 8.230 nan 0.000 0.445 130 T N 1.097 115.651 114.554 0.000 0.000 3.262 130 T HA 0.593 4.956 4.350 0.021 0.000 0.374 130 T C 0.628 175.323 174.700 -0.008 0.000 1.504 130 T CA 0.663 62.764 62.100 0.002 0.000 1.158 130 T CB -0.133 68.738 68.868 0.005 0.000 1.157 130 T HN 2.545 nan 8.240 nan 0.000 0.644 131 G N 3.717 112.513 108.800 -0.008 0.000 2.330 131 G HA2 -0.187 3.785 3.960 0.021 0.000 0.239 131 G HA3 -0.187 3.785 3.960 0.021 0.000 0.239 131 G C 0.214 175.088 174.900 -0.043 0.000 0.818 131 G CA 0.167 45.257 45.100 -0.017 0.000 1.189 131 G HN 0.930 nan 8.290 nan 0.000 0.337 132 L N -0.395 120.783 121.223 -0.074 0.000 2.484 132 L HA 0.717 5.069 4.340 0.021 0.000 0.158 132 L C 1.125 177.912 176.870 -0.139 0.000 1.161 132 L CA 0.764 55.526 54.840 -0.130 0.000 2.088 132 L CB -0.123 41.801 42.059 -0.224 0.000 2.337 132 L HN 0.612 nan 8.230 nan 0.000 0.594 133 Q N -1.679 117.988 119.800 -0.222 0.000 1.574 133 Q HA 0.438 4.790 4.340 0.021 0.000 0.159 133 Q C -0.003 175.823 176.000 -0.289 0.000 0.401 133 Q CA 0.322 56.017 55.803 -0.179 0.000 0.683 133 Q CB -0.068 28.602 28.738 -0.114 0.000 0.829 133 Q HN 0.894 nan 8.270 nan 0.000 0.152 134 G N -0.788 107.840 108.800 -0.286 0.000 3.119 134 G HA2 0.646 4.618 3.960 0.021 0.000 0.206 134 G HA3 0.646 4.618 3.960 0.021 0.000 0.206 134 G C -1.244 173.278 174.900 -0.630 0.000 1.313 134 G CA -0.514 44.393 45.100 -0.322 0.000 1.010 134 G HN 0.176 nan 8.290 nan 0.000 0.578 135 F N -0.542 119.406 119.950 -0.003 0.000 2.603 135 F HA 0.557 5.097 4.527 0.021 0.000 0.317 135 F C 0.215 176.053 175.800 0.064 0.000 1.066 135 F CA -0.902 57.099 58.000 0.001 0.000 0.941 135 F CB 2.706 41.679 39.000 -0.045 0.000 1.291 135 F HN 0.393 nan 8.300 nan 0.000 0.472 136 S N 0.563 116.426 115.700 0.273 0.000 2.622 136 S HA 0.596 5.079 4.470 0.021 0.000 0.283 136 S C -1.180 173.525 174.600 0.175 0.000 1.197 136 S CA -0.653 57.686 58.200 0.233 0.000 1.146 136 S CB 0.563 63.954 63.200 0.318 0.000 1.007 136 S HN 0.380 nan 8.310 nan 0.000 0.478 137 V N 4.356 124.355 119.914 0.141 0.000 2.258 137 V HA 0.352 4.484 4.120 0.021 0.000 0.258 137 V C -0.575 175.678 176.094 0.265 0.000 1.121 137 V CA -0.509 61.864 62.300 0.121 0.000 0.942 137 V CB -1.357 30.488 31.823 0.036 0.000 1.170 137 V HN 0.793 nan 8.190 nan 0.000 0.487 138 F N 6.094 126.147 119.950 0.171 0.000 2.467 138 F HA 0.466 5.005 4.527 0.020 0.000 0.362 138 F C 1.075 177.106 175.800 0.385 0.000 1.090 138 F CA 0.343 58.541 58.000 0.330 0.000 1.202 138 F CB 0.384 39.586 39.000 0.337 0.000 1.113 138 F HN 0.727 nan 8.300 nan 0.000 0.541 139 H N -0.514 118.775 119.070 0.365 0.000 4.282 139 H HA 0.609 5.178 4.556 0.021 0.000 0.425 139 H C -1.426 174.060 175.328 0.263 0.000 1.285 139 H CA -0.638 55.577 56.048 0.278 0.000 0.883 139 H CB 1.020 30.943 29.762 0.268 0.000 1.139 139 H HN 0.317 nan 8.280 nan 0.000 0.815 140 S N -0.466 115.126 115.700 -0.180 0.000 2.240 140 S HA 0.236 4.719 4.470 0.021 0.000 0.281 140 S C -0.311 174.389 174.600 0.167 0.000 0.842 140 S CA -0.613 57.530 58.200 -0.095 0.000 0.942 140 S CB -0.250 62.954 63.200 0.007 0.000 1.241 140 S HN 0.336 nan 8.310 nan 0.000 0.407 141 F N 3.134 123.036 119.950 -0.079 0.000 2.224 141 F HA -0.132 4.407 4.527 0.020 0.000 0.299 141 F C 2.679 178.545 175.800 0.110 0.000 1.212 141 F CA 2.651 60.719 58.000 0.114 0.000 1.271 141 F CB -1.274 37.813 39.000 0.145 0.000 0.912 141 F HN 0.886 nan 8.300 nan 0.000 0.562 142 G N -0.119 108.838 108.800 0.262 0.000 2.846 142 G HA2 0.180 4.153 3.960 0.021 0.000 0.204 142 G HA3 0.180 4.153 3.960 0.021 0.000 0.204 142 G C 0.748 175.718 174.900 0.116 0.000 1.170 142 G CA 0.856 46.039 45.100 0.137 0.000 0.809 142 G HN 0.771 nan 8.290 nan 0.000 0.542 143 G N -1.484 107.407 108.800 0.151 0.000 3.211 143 G HA2 0.572 4.545 3.960 0.021 0.000 0.167 143 G HA3 0.572 4.545 3.960 0.021 0.000 0.167 143 G C 0.787 175.784 174.900 0.162 0.000 1.212 143 G CA 0.270 45.446 45.100 0.126 0.000 0.928 143 G HN 0.305 nan 8.290 nan 0.000 0.607 144 G N -1.077 107.802 108.800 0.132 0.000 2.571 144 G HA2 0.226 4.199 3.960 0.021 0.000 0.225 144 G HA3 0.226 4.199 3.960 0.021 0.000 0.225 144 G C 1.535 176.533 174.900 0.164 0.000 1.731 144 G CA 1.413 46.598 45.100 0.140 0.000 0.858 144 G HN 0.518 nan 8.290 nan 0.000 0.611 145 T N 1.219 115.840 114.554 0.111 0.000 2.778 145 T HA -0.098 4.265 4.350 0.021 0.000 0.269 145 T C 2.276 177.088 174.700 0.186 0.000 1.050 145 T CA 1.759 63.915 62.100 0.094 0.000 1.137 145 T CB -0.430 68.398 68.868 -0.066 0.000 0.860 145 T HN 0.378 nan 8.240 nan 0.000 0.468 146 G N 0.939 109.865 108.800 0.209 0.000 2.453 146 G HA2 -0.067 3.905 3.960 0.021 0.000 0.215 146 G HA3 -0.067 3.905 3.960 0.021 0.000 0.215 146 G C 1.803 176.964 174.900 0.436 0.000 1.147 146 G CA 0.929 46.225 45.100 0.327 0.000 0.802 146 G HN 0.625 nan 8.290 nan 0.000 0.535 147 S N 0.806 116.717 115.700 0.351 0.000 2.310 147 S HA 0.151 4.633 4.470 0.021 0.000 0.201 147 S C 2.478 177.280 174.600 0.336 0.000 1.032 147 S CA 1.387 59.791 58.200 0.340 0.000 0.993 147 S CB -1.198 62.198 63.200 0.327 0.000 0.970 147 S HN 0.330 nan 8.310 nan 0.000 0.446 148 G N 0.787 109.784 108.800 0.328 0.000 2.421 148 G HA2 -0.113 3.860 3.960 0.021 0.000 0.216 148 G HA3 -0.113 3.860 3.960 0.021 0.000 0.216 148 G C 1.262 176.207 174.900 0.075 0.000 1.171 148 G CA 0.867 45.923 45.100 -0.074 0.000 0.775 148 G HN 0.440 nan 8.290 nan 0.000 0.543 149 F N 1.643 121.605 119.950 0.020 0.000 2.026 149 F HA -0.122 4.417 4.527 0.021 0.000 0.296 149 F C 2.889 178.698 175.800 0.014 0.000 1.133 149 F CA 2.413 60.418 58.000 0.009 0.000 1.188 149 F CB -0.898 38.108 39.000 0.010 0.000 0.968 149 F HN 0.139 nan 8.300 nan 0.000 0.476 150 T N -0.352 114.407 114.554 0.341 0.000 2.680 150 T HA -0.286 4.076 4.350 0.021 0.000 0.268 150 T C 2.220 176.870 174.700 -0.084 0.000 1.033 150 T CA 2.293 64.450 62.100 0.094 0.000 1.152 150 T CB -0.755 68.101 68.868 -0.020 0.000 0.859 150 T HN 0.463 nan 8.240 nan 0.000 0.452 151 S N 1.424 117.133 115.700 0.014 0.000 2.378 151 S HA -0.184 4.299 4.470 0.021 0.000 0.229 151 S C 1.385 176.013 174.600 0.047 0.000 1.052 151 S CA 1.741 59.977 58.200 0.061 0.000 1.084 151 S CB -0.550 62.721 63.200 0.117 0.000 0.950 151 S HN 0.701 nan 8.310 nan 0.000 0.440 152 L N -0.151 121.052 121.223 -0.033 0.000 2.928 152 L HA 0.577 4.930 4.340 0.021 0.000 0.236 152 L C 0.740 177.350 176.870 -0.434 0.000 1.290 152 L CA 0.350 55.028 54.840 -0.269 0.000 1.099 152 L CB -0.221 41.411 42.059 -0.711 0.000 1.437 152 L HN 0.137 nan 8.230 nan 0.000 0.493 153 L N -0.932 120.063 121.223 -0.379 0.000 2.586 153 L HA 0.328 4.681 4.340 0.021 0.000 0.204 153 L C 2.072 178.764 176.870 -0.297 0.000 1.053 153 L CA 0.702 55.320 54.840 -0.370 0.000 0.856 153 L CB 0.031 41.910 42.059 -0.300 0.000 1.192 153 L HN 0.228 nan 8.230 nan 0.000 0.484 154 M N -0.311 119.133 119.600 -0.261 0.000 2.175 154 M HA -0.113 4.380 4.480 0.021 0.000 0.264 154 M C 2.025 178.042 176.300 -0.472 0.000 1.063 154 M CA 1.291 56.429 55.300 -0.271 0.000 1.119 154 M CB -0.515 31.999 32.600 -0.143 0.000 1.377 154 M HN 0.336 nan 8.290 nan 0.000 0.415 155 E N 0.861 120.741 120.200 -0.533 0.000 2.051 155 E HA -0.169 4.194 4.350 0.021 0.000 0.192 155 E C 1.921 178.206 176.600 -0.524 0.000 0.991 155 E CA 1.232 57.103 56.400 -0.882 0.000 0.799 155 E CB -0.057 29.468 29.700 -0.292 0.000 0.748 155 E HN 0.223 nan 8.360 nan 0.000 0.449 156 R N 0.260 120.550 120.500 -0.350 0.000 2.285 156 R HA 0.017 4.369 4.340 0.021 0.000 0.213 156 R C 2.253 178.405 176.300 -0.246 0.000 1.068 156 R CA 0.247 56.187 56.100 -0.268 0.000 1.004 156 R CB -0.331 29.822 30.300 -0.245 0.000 0.873 156 R HN 0.307 nan 8.270 nan 0.000 0.467 157 L N -1.345 119.711 121.223 -0.278 0.000 2.208 157 L HA 0.027 4.379 4.340 0.021 0.000 0.196 157 L C 2.140 178.943 176.870 -0.113 0.000 1.130 157 L CA 0.572 55.290 54.840 -0.203 0.000 0.791 157 L CB -0.799 41.042 42.059 -0.364 0.000 0.969 157 L HN 0.024 nan 8.230 nan 0.000 0.468 158 S N -0.683 114.916 115.700 -0.168 0.000 2.484 158 S HA -0.158 4.325 4.470 0.021 0.000 0.250 158 S C 1.061 175.637 174.600 -0.040 0.000 0.995 158 S CA 0.789 58.956 58.200 -0.055 0.000 0.967 158 S CB -0.197 62.985 63.200 -0.029 0.000 0.752 158 S HN 0.197 nan 8.310 nan 0.000 0.517 159 V N 0.854 120.693 119.914 -0.125 0.000 2.843 159 V HA 0.395 4.527 4.120 0.021 0.000 0.366 159 V C -0.125 175.883 176.094 -0.144 0.000 1.283 159 V CA 0.063 62.307 62.300 -0.093 0.000 1.303 159 V CB 0.667 32.439 31.823 -0.085 0.000 1.418 159 V HN 0.366 nan 8.190 nan 0.000 0.598 160 D N -0.426 119.862 120.400 -0.188 0.000 2.601 160 D HA 0.096 4.748 4.640 0.021 0.000 0.350 160 D C -0.113 175.782 176.300 -0.674 0.000 1.386 160 D CA 0.138 53.899 54.000 -0.398 0.000 0.929 160 D CB 0.428 40.958 40.800 -0.451 0.000 1.456 160 D HN 0.504 nan 8.370 nan 0.000 0.430 161 Y N -1.166 119.145 120.300 0.018 0.000 3.075 161 Y HA 0.212 4.774 4.550 0.021 0.000 0.270 161 Y C 1.797 177.740 175.900 0.073 0.000 1.071 161 Y CA -0.062 58.088 58.100 0.084 0.000 1.269 161 Y CB 0.931 39.514 38.460 0.205 0.000 1.291 161 Y HN -0.008 nan 8.280 nan 0.000 0.613 162 G N 0.820 109.701 108.800 0.135 0.000 2.562 162 G HA2 -0.346 3.626 3.960 0.021 0.000 0.223 162 G HA3 -0.346 3.626 3.960 0.021 0.000 0.223 162 G C 1.503 176.466 174.900 0.104 0.000 1.102 162 G CA 1.203 46.363 45.100 0.099 0.000 0.742 162 G HN 0.308 nan 8.290 nan 0.000 0.587 163 K N -0.257 120.215 120.400 0.120 0.000 2.551 163 K HA 0.056 4.389 4.320 0.021 0.000 0.192 163 K C 0.530 177.193 176.600 0.105 0.000 1.027 163 K CA 0.259 56.604 56.287 0.097 0.000 1.059 163 K CB 0.039 32.592 32.500 0.087 0.000 0.831 163 K HN 0.137 nan 8.250 nan 0.000 0.508 164 K N -0.335 120.153 120.400 0.146 0.000 2.246 164 K HA 0.261 4.594 4.320 0.021 0.000 0.239 164 K C -0.295 176.369 176.600 0.105 0.000 1.089 164 K CA -0.671 55.675 56.287 0.100 0.000 0.892 164 K CB 1.341 33.888 32.500 0.078 0.000 1.334 164 K HN 0.005 nan 8.250 nan 0.000 0.507 165 S N 0.021 115.766 115.700 0.077 0.000 2.593 165 S HA 0.616 5.098 4.470 0.021 0.000 0.297 165 S C -0.725 173.984 174.600 0.181 0.000 1.112 165 S CA -0.825 57.435 58.200 0.099 0.000 1.043 165 S CB 1.426 64.670 63.200 0.074 0.000 1.054 165 S HN 0.377 nan 8.310 nan 0.000 0.516 166 K N 1.645 122.141 120.400 0.160 0.000 2.646 166 K HA 0.450 4.782 4.320 0.021 0.000 0.210 166 K C -1.410 175.253 176.600 0.104 0.000 1.020 166 K CA -0.013 56.387 56.287 0.187 0.000 1.040 166 K CB 0.776 33.355 32.500 0.133 0.000 1.253 166 K HN 0.541 nan 8.250 nan 0.000 0.532 167 L N 2.365 123.667 121.223 0.131 0.000 2.357 167 L HA 0.458 4.810 4.340 0.021 0.000 0.273 167 L C 0.127 177.059 176.870 0.103 0.000 1.080 167 L CA -0.179 54.699 54.840 0.063 0.000 0.803 167 L CB 0.937 43.103 42.059 0.179 0.000 1.174 167 L HN 0.523 nan 8.230 nan 0.000 0.443 168 E N 1.779 122.007 120.200 0.046 0.000 2.321 168 E HA 0.307 4.670 4.350 0.021 0.000 0.278 168 E C -1.545 175.156 176.600 0.168 0.000 0.902 168 E CA -0.738 55.752 56.400 0.151 0.000 0.758 168 E CB 1.376 31.181 29.700 0.176 0.000 1.213 168 E HN 0.199 nan 8.360 nan 0.000 0.426 169 F N 2.618 122.546 119.950 -0.037 0.000 2.423 169 F HA 0.136 4.676 4.527 0.020 0.000 0.356 169 F C 0.636 176.457 175.800 0.035 0.000 1.170 169 F CA -0.322 57.650 58.000 -0.048 0.000 1.163 169 F CB 1.032 39.827 39.000 -0.341 0.000 1.318 169 F HN 0.451 nan 8.300 nan 0.000 0.569 170 S N 4.744 120.467 115.700 0.037 0.000 2.700 170 S HA 0.285 4.768 4.470 0.021 0.000 0.321 170 S C 0.115 174.545 174.600 -0.283 0.000 1.161 170 S CA -0.618 57.485 58.200 -0.162 0.000 1.078 170 S CB -0.540 62.444 63.200 -0.360 0.000 1.302 170 S HN 0.487 nan 8.310 nan 0.000 0.540 171 I N 4.491 124.943 120.570 -0.197 0.000 2.372 171 I HA 0.056 4.238 4.170 0.021 0.000 0.298 171 I C 0.129 176.145 176.117 -0.168 0.000 1.137 171 I CA -0.311 60.914 61.300 -0.125 0.000 1.314 171 I CB -0.117 37.844 38.000 -0.064 0.000 1.444 171 I HN 0.689 nan 8.210 nan 0.000 0.541 172 Y N 8.428 128.461 120.300 -0.445 0.000 2.496 172 Y HA 0.109 4.672 4.550 0.022 0.000 0.334 172 Y C -1.675 174.062 175.900 -0.272 0.000 1.080 172 Y CA -2.124 55.667 58.100 -0.516 0.000 1.355 172 Y CB 0.674 38.741 38.460 -0.656 0.000 1.193 172 Y HN 0.423 nan 8.280 nan 0.000 0.523 173 P HA -0.142 nan 4.420 nan 0.000 0.253 173 P C -0.725 176.374 177.300 -0.335 0.000 1.159 173 P CA 0.435 63.340 63.100 -0.325 0.000 0.779 173 P CB 0.020 31.543 31.700 -0.295 0.000 0.745 174 A N 7.845 130.555 122.820 -0.184 0.000 2.639 174 A HA -0.047 4.286 4.320 0.021 0.000 0.229 174 A C -0.591 176.911 177.584 -0.137 0.000 1.062 174 A CA -0.229 51.731 52.037 -0.129 0.000 0.761 174 A CB -0.744 18.229 19.000 -0.045 0.000 0.988 174 A HN 0.477 nan 8.150 nan 0.000 0.510 175 P HA -0.059 nan 4.420 nan 0.000 0.233 175 P C 0.505 177.772 177.300 -0.055 0.000 1.167 175 P CA 1.376 64.423 63.100 -0.087 0.000 0.770 175 P CB 0.343 32.002 31.700 -0.068 0.000 0.837 176 Q N -1.458 118.320 119.800 -0.036 0.000 2.237 176 Q HA 0.073 4.425 4.340 0.021 0.000 0.164 176 Q C 0.335 176.332 176.000 -0.005 0.000 0.658 176 Q CA 0.013 55.804 55.803 -0.020 0.000 0.895 176 Q CB 0.452 29.183 28.738 -0.011 0.000 1.175 176 Q HN -0.031 nan 8.270 nan 0.000 0.355 177 V N 1.447 121.373 119.914 0.020 0.000 2.304 177 V HA 0.200 4.333 4.120 0.021 0.000 0.239 177 V C 0.259 176.381 176.094 0.046 0.000 1.201 177 V CA 0.117 62.446 62.300 0.049 0.000 1.254 177 V CB -0.154 31.741 31.823 0.120 0.000 1.335 177 V HN 0.234 nan 8.190 nan 0.000 0.491 178 S N 3.627 119.336 115.700 0.015 0.000 2.397 178 S HA 0.689 5.172 4.470 0.021 0.000 0.261 178 S C 0.969 175.582 174.600 0.021 0.000 1.187 178 S CA 0.491 58.693 58.200 0.002 0.000 1.023 178 S CB 1.583 64.766 63.200 -0.028 0.000 1.103 178 S HN 0.916 nan 8.310 nan 0.000 0.474 179 T N 0.209 114.765 114.554 0.003 0.000 3.539 179 T HA 0.396 4.759 4.350 0.021 0.000 0.148 179 T C -0.034 174.656 174.700 -0.016 0.000 0.728 179 T CA 0.210 62.318 62.100 0.013 0.000 0.843 179 T CB -1.016 67.880 68.868 0.046 0.000 0.950 179 T HN 0.805 nan 8.240 nan 0.000 0.266 180 A N 1.559 124.363 122.820 -0.028 0.000 2.386 180 A HA 0.524 4.857 4.320 0.021 0.000 0.248 180 A C 1.543 179.050 177.584 -0.129 0.000 1.082 180 A CA -0.173 51.825 52.037 -0.066 0.000 0.789 180 A CB 0.099 19.067 19.000 -0.053 0.000 1.025 180 A HN 0.372 nan 8.150 nan 0.000 0.490 181 V N 1.925 121.713 119.914 -0.210 0.000 2.591 181 V HA -0.162 3.970 4.120 0.021 0.000 0.249 181 V C 2.316 178.082 176.094 -0.548 0.000 1.053 181 V CA 2.026 64.109 62.300 -0.362 0.000 1.068 181 V CB -1.002 30.543 31.823 -0.463 0.000 0.689 181 V HN 0.891 nan 8.190 nan 0.000 0.462 182 V N -1.694 117.915 119.914 -0.507 0.000 2.871 182 V HA -0.095 4.038 4.120 0.021 0.000 0.256 182 V C 2.050 178.021 176.094 -0.205 0.000 1.082 182 V CA 1.582 63.633 62.300 -0.416 0.000 1.105 182 V CB -0.674 31.100 31.823 -0.080 0.000 0.713 182 V HN 0.516 nan 8.190 nan 0.000 0.473 183 E N 1.825 121.953 120.200 -0.120 0.000 2.816 183 E HA -0.309 4.053 4.350 0.021 0.000 0.235 183 E C 0.048 176.653 176.600 0.009 0.000 0.972 183 E CA 3.743 60.117 56.400 -0.044 0.000 1.534 183 E CB -1.744 27.908 29.700 -0.079 0.000 1.465 183 E HN 0.562 nan 8.360 nan 0.000 0.464 184 P HA -0.209 nan 4.420 nan 0.000 0.214 184 P C 1.199 178.673 177.300 0.291 0.000 1.163 184 P CA 2.153 65.321 63.100 0.113 0.000 0.883 184 P CB -0.464 31.298 31.700 0.103 0.000 0.788 185 Y N 0.869 121.230 120.300 0.101 0.000 1.977 185 Y HA -0.317 4.245 4.550 0.020 0.000 0.264 185 Y C 2.760 178.633 175.900 -0.046 0.000 1.167 185 Y CA 1.056 59.166 58.100 0.018 0.000 1.102 185 Y CB -1.233 37.217 38.460 -0.016 0.000 0.948 185 Y HN 0.009 nan 8.280 nan 0.000 0.489 186 N N 0.228 119.087 118.700 0.265 0.000 2.036 186 N HA -0.209 4.543 4.740 0.021 0.000 0.199 186 N C 1.816 177.308 175.510 -0.030 0.000 1.036 186 N CA 1.911 55.070 53.050 0.181 0.000 0.870 186 N CB -0.783 37.858 38.487 0.257 0.000 1.055 186 N HN 0.280 nan 8.380 nan 0.000 0.436 187 S N 1.675 117.405 115.700 0.051 0.000 2.426 187 S HA -0.146 4.337 4.470 0.021 0.000 0.220 187 S C 2.155 176.677 174.600 -0.131 0.000 1.040 187 S CA 0.926 59.139 58.200 0.021 0.000 1.094 187 S CB -0.665 62.721 63.200 0.310 0.000 1.072 187 S HN 0.140 nan 8.310 nan 0.000 0.415 188 I N 1.807 122.354 120.570 -0.038 0.000 2.178 188 I HA -0.284 3.899 4.170 0.021 0.000 0.243 188 I C 2.190 178.038 176.117 -0.448 0.000 1.019 188 I CA 1.502 62.655 61.300 -0.245 0.000 1.294 188 I CB -0.698 36.971 38.000 -0.551 0.000 0.996 188 I HN 0.260 nan 8.210 nan 0.000 0.415 189 L N -1.228 119.608 121.223 -0.645 0.000 2.056 189 L HA -0.211 4.142 4.340 0.021 0.000 0.207 189 L C 2.402 178.889 176.870 -0.639 0.000 1.078 189 L CA 1.790 56.069 54.840 -0.935 0.000 0.749 189 L CB -0.991 40.059 42.059 -1.682 0.000 0.901 189 L HN 0.271 nan 8.230 nan 0.000 0.433 190 T N -1.746 112.493 114.554 -0.525 0.000 2.674 190 T HA -0.249 4.114 4.350 0.021 0.000 0.265 190 T C 1.949 176.505 174.700 -0.241 0.000 1.039 190 T CA 2.049 64.011 62.100 -0.230 0.000 1.150 190 T CB -0.450 68.248 68.868 -0.284 0.000 0.864 190 T HN 0.303 nan 8.240 nan 0.000 0.427 191 T N 1.526 115.844 114.554 -0.393 0.000 2.699 191 T HA -0.258 4.104 4.350 0.021 0.000 0.268 191 T C 1.966 176.693 174.700 0.044 0.000 1.036 191 T CA 1.985 64.042 62.100 -0.072 0.000 1.147 191 T CB -0.531 68.453 68.868 0.193 0.000 0.862 191 T HN 0.628 nan 8.240 nan 0.000 0.446 192 H N -0.490 118.478 119.070 -0.169 0.000 2.389 192 H HA 0.047 4.616 4.556 0.022 0.000 0.299 192 H C 2.051 177.293 175.328 -0.143 0.000 1.081 192 H CA 2.002 57.947 56.048 -0.171 0.000 1.345 192 H CB -0.876 28.742 29.762 -0.239 0.000 1.393 192 H HN 0.323 nan 8.280 nan 0.000 0.520 193 T N -0.242 114.393 114.554 0.135 0.000 3.194 193 T HA 0.026 4.389 4.350 0.021 0.000 0.251 193 T C 1.389 176.104 174.700 0.026 0.000 1.132 193 T CA 1.130 63.224 62.100 -0.011 0.000 1.028 193 T CB -0.366 68.585 68.868 0.138 0.000 0.976 193 T HN 0.562 nan 8.240 nan 0.000 0.535 194 T N -0.382 114.177 114.554 0.009 0.000 3.057 194 T HA 0.143 4.506 4.350 0.021 0.000 0.254 194 T C 1.574 176.298 174.700 0.039 0.000 0.965 194 T CA 0.460 62.618 62.100 0.096 0.000 0.978 194 T CB -0.295 68.638 68.868 0.108 0.000 1.169 194 T HN 0.233 nan 8.240 nan 0.000 0.489 195 L N 2.548 123.779 121.223 0.013 0.000 1.976 195 L HA -0.051 4.301 4.340 0.021 0.000 0.223 195 L C 1.491 178.259 176.870 -0.170 0.000 1.081 195 L CA 2.245 57.062 54.840 -0.039 0.000 0.784 195 L CB -1.136 40.904 42.059 -0.033 0.000 0.896 195 L HN 0.118 nan 8.230 nan 0.000 0.438 196 E N -0.508 119.513 120.200 -0.299 0.000 2.412 196 E HA -0.081 4.281 4.350 0.021 0.000 0.207 196 E C 0.658 176.940 176.600 -0.530 0.000 1.252 196 E CA 0.519 56.672 56.400 -0.411 0.000 1.004 196 E CB -0.355 29.041 29.700 -0.507 0.000 1.027 196 E HN 0.685 nan 8.360 nan 0.000 0.517 197 H N -2.997 116.016 119.070 -0.096 0.000 2.039 197 H HA 0.132 4.701 4.556 0.021 0.000 0.141 197 H C 0.735 176.028 175.328 -0.057 0.000 1.103 197 H CA 0.737 56.742 56.048 -0.072 0.000 1.115 197 H CB -0.492 29.230 29.762 -0.068 0.000 0.802 197 H HN 0.147 nan 8.280 nan 0.000 0.282 198 S N 1.419 117.175 115.700 0.093 0.000 2.587 198 S HA 0.017 4.500 4.470 0.021 0.000 0.260 198 S C 0.298 174.876 174.600 -0.036 0.000 1.353 198 S CA 0.355 58.572 58.200 0.029 0.000 0.995 198 S CB 0.893 64.108 63.200 0.024 0.000 0.912 198 S HN 0.248 nan 8.310 nan 0.000 0.568 199 D N -0.874 119.499 120.400 -0.044 0.000 2.441 199 D HA 0.303 4.956 4.640 0.021 0.000 0.210 199 D C -0.375 175.841 176.300 -0.140 0.000 1.102 199 D CA 0.169 54.124 54.000 -0.075 0.000 0.840 199 D CB 0.647 41.439 40.800 -0.012 0.000 0.990 199 D HN 0.571 nan 8.370 nan 0.000 0.505 200 C N 0.839 120.018 119.300 -0.201 0.000 3.198 200 C HA 0.647 5.120 4.460 0.021 0.000 0.438 200 C C -1.654 173.042 174.990 -0.490 0.000 0.952 200 C CA -0.782 58.022 59.018 -0.357 0.000 1.216 200 C CB -0.045 27.488 27.740 -0.344 0.000 1.594 200 C HN 0.182 nan 8.230 nan 0.000 0.598 201 A N 5.015 127.576 122.820 -0.432 0.000 2.285 201 A HA 0.758 5.090 4.320 0.021 0.000 0.310 201 A C -0.739 176.603 177.584 -0.403 0.000 1.266 201 A CA -0.297 51.583 52.037 -0.262 0.000 0.832 201 A CB 0.247 19.428 19.000 0.301 0.000 1.163 201 A HN 0.774 nan 8.150 nan 0.000 0.499 202 F N 4.097 123.814 119.950 -0.388 0.000 2.462 202 F HA 0.189 4.728 4.527 0.021 0.000 0.360 202 F C 0.926 176.378 175.800 -0.580 0.000 1.134 202 F CA -0.346 57.256 58.000 -0.664 0.000 1.148 202 F CB 0.509 38.650 39.000 -1.431 0.000 1.147 202 F HN 0.398 nan 8.300 nan 0.000 0.550 203 M N 3.227 122.679 119.600 -0.248 0.000 2.245 203 M HA 0.251 4.744 4.480 0.021 0.000 0.330 203 M C -0.292 175.880 176.300 -0.213 0.000 1.098 203 M CA -0.083 55.024 55.300 -0.321 0.000 1.172 203 M CB 0.768 33.109 32.600 -0.433 0.000 1.467 203 M HN 0.274 nan 8.290 nan 0.000 0.454 204 V N 1.812 121.627 119.914 -0.165 0.000 2.719 204 V HA 0.132 4.265 4.120 0.021 0.000 0.289 204 V C -0.965 175.075 176.094 -0.090 0.000 1.167 204 V CA -1.067 61.192 62.300 -0.068 0.000 0.929 204 V CB 2.177 34.044 31.823 0.073 0.000 1.050 204 V HN 0.886 nan 8.190 nan 0.000 0.448 205 D N 3.148 123.488 120.400 -0.100 0.000 2.312 205 D HA 0.356 5.008 4.640 0.021 0.000 0.248 205 D C 1.007 177.225 176.300 -0.136 0.000 1.086 205 D CA -0.129 53.805 54.000 -0.111 0.000 0.948 205 D CB 1.296 42.034 40.800 -0.102 0.000 1.162 205 D HN 0.417 nan 8.370 nan 0.000 0.446 206 N N 0.929 119.532 118.700 -0.163 0.000 2.305 206 N HA -0.097 4.656 4.740 0.021 0.000 0.179 206 N C 1.155 176.425 175.510 -0.399 0.000 1.019 206 N CA 0.372 53.255 53.050 -0.279 0.000 0.869 206 N CB 0.118 38.484 38.487 -0.202 0.000 1.000 206 N HN 0.586 nan 8.380 nan 0.000 0.431 207 E N 1.382 121.496 120.200 -0.143 0.000 2.015 207 E HA -0.093 4.270 4.350 0.021 0.000 0.191 207 E C 1.929 178.546 176.600 0.028 0.000 0.991 207 E CA 0.903 57.338 56.400 0.058 0.000 0.802 207 E CB -0.046 29.714 29.700 0.100 0.000 0.759 207 E HN 0.211 nan 8.360 nan 0.000 0.447 208 A N 1.498 124.305 122.820 -0.021 0.000 1.969 208 A HA -0.287 4.046 4.320 0.021 0.000 0.223 208 A C 2.145 179.726 177.584 -0.005 0.000 1.218 208 A CA 2.132 54.159 52.037 -0.018 0.000 0.667 208 A CB -1.030 17.940 19.000 -0.049 0.000 0.826 208 A HN 0.399 nan 8.150 nan 0.000 0.472 209 I N -2.475 118.064 120.570 -0.053 0.000 2.113 209 I HA -0.290 3.893 4.170 0.021 0.000 0.238 209 I C 2.430 178.582 176.117 0.058 0.000 1.070 209 I CA 1.831 63.108 61.300 -0.039 0.000 1.332 209 I CB -0.791 37.137 38.000 -0.121 0.000 1.044 209 I HN 0.487 nan 8.210 nan 0.000 0.402 210 Y N 1.196 121.506 120.300 0.016 0.000 2.029 210 Y HA -0.363 4.199 4.550 0.020 0.000 0.269 210 Y C 1.840 177.744 175.900 0.006 0.000 1.201 210 Y CA 0.936 59.044 58.100 0.013 0.000 1.115 210 Y CB -0.486 37.979 38.460 0.009 0.000 0.945 210 Y HN 0.268 nan 8.280 nan 0.000 0.497 211 D N 0.197 120.709 120.400 0.186 0.000 2.413 211 D HA -0.036 4.617 4.640 0.021 0.000 0.262 211 D C 0.831 177.173 176.300 0.070 0.000 1.254 211 D CA 1.083 55.140 54.000 0.096 0.000 0.942 211 D CB -0.214 40.626 40.800 0.067 0.000 0.937 211 D HN 0.519 nan 8.370 nan 0.000 0.508 212 I N -1.096 119.523 120.570 0.080 0.000 5.061 212 I HA -0.081 4.102 4.170 0.021 0.000 0.336 212 I C 1.329 177.485 176.117 0.066 0.000 1.247 212 I CA 0.165 61.502 61.300 0.063 0.000 1.418 212 I CB 0.706 38.738 38.000 0.052 0.000 1.467 212 I HN 0.003 nan 8.210 nan 0.000 0.510 213 C N 0.744 120.096 119.300 0.087 0.000 2.613 213 C HA 0.224 4.697 4.460 0.021 0.000 0.273 213 C C 2.106 177.133 174.990 0.062 0.000 1.304 213 C CA -0.050 59.018 59.018 0.082 0.000 1.702 213 C CB -1.607 26.204 27.740 0.119 0.000 1.792 213 C HN 0.470 nan 8.230 nan 0.000 0.588 214 R N 0.135 120.666 120.500 0.052 0.000 2.507 214 R HA 0.217 4.569 4.340 0.021 0.000 0.230 214 R C 1.999 178.315 176.300 0.026 0.000 0.897 214 R CA -0.181 55.936 56.100 0.029 0.000 1.006 214 R CB 0.058 30.367 30.300 0.015 0.000 1.341 214 R HN 0.371 nan 8.270 nan 0.000 0.604 215 R N -0.136 120.385 120.500 0.035 0.000 2.087 215 R HA 0.212 4.564 4.340 0.021 0.000 0.213 215 R C 0.550 176.871 176.300 0.035 0.000 1.137 215 R CA 0.836 56.954 56.100 0.031 0.000 1.022 215 R CB 0.070 30.390 30.300 0.033 0.000 0.920 215 R HN 0.189 nan 8.270 nan 0.000 0.451 216 N N 0.502 119.229 118.700 0.045 0.000 2.453 216 N HA 0.123 4.875 4.740 0.021 0.000 0.270 216 N C -0.233 175.310 175.510 0.055 0.000 1.195 216 N CA -0.007 53.074 53.050 0.051 0.000 0.902 216 N CB 0.874 39.398 38.487 0.061 0.000 1.186 216 N HN -0.012 nan 8.380 nan 0.000 0.510 217 L N -0.231 121.021 121.223 0.048 0.000 4.757 217 L HA 0.060 4.412 4.340 0.021 0.000 0.477 217 L C -0.636 176.260 176.870 0.043 0.000 0.932 217 L CA 0.332 55.202 54.840 0.051 0.000 1.868 217 L CB 0.392 42.482 42.059 0.052 0.000 1.883 217 L HN 0.001 nan 8.230 nan 0.000 0.620 218 D N 2.144 122.564 120.400 0.033 0.000 2.802 218 D HA -0.220 4.433 4.640 0.021 0.000 0.229 218 D C -0.369 175.944 176.300 0.023 0.000 1.203 218 D CA 1.511 55.525 54.000 0.023 0.000 0.712 218 D CB -0.828 39.982 40.800 0.017 0.000 0.973 218 D HN 0.513 nan 8.370 nan 0.000 0.407 219 I N -1.605 118.978 120.570 0.022 0.000 2.586 219 I HA 0.343 4.526 4.170 0.021 0.000 0.288 219 I C 0.247 176.367 176.117 0.005 0.000 1.147 219 I CA -0.877 60.434 61.300 0.017 0.000 1.047 219 I CB 2.096 40.113 38.000 0.028 0.000 1.244 219 I HN -0.312 nan 8.210 nan 0.000 0.429 220 E N 4.903 125.097 120.200 -0.011 0.000 2.394 220 E HA 0.131 4.493 4.350 0.021 0.000 0.191 220 E C 0.275 176.847 176.600 -0.047 0.000 1.044 220 E CA 0.122 56.500 56.400 -0.036 0.000 0.939 220 E CB 0.477 30.153 29.700 -0.040 0.000 1.089 220 E HN 0.617 nan 8.360 nan 0.000 0.456 221 R N 1.625 122.109 120.500 -0.025 0.000 2.834 221 R HA 0.212 4.564 4.340 0.021 0.000 0.362 221 R C -2.407 173.892 176.300 -0.002 0.000 1.147 221 R CA -1.374 54.711 56.100 -0.025 0.000 1.125 221 R CB 0.275 30.568 30.300 -0.012 0.000 1.361 221 R HN -0.135 nan 8.270 nan 0.000 0.598 222 P HA 0.140 nan 4.420 nan 0.000 0.273 222 P C -0.650 176.713 177.300 0.104 0.000 1.428 222 P CA 0.146 63.295 63.100 0.082 0.000 0.995 222 P CB 1.271 33.065 31.700 0.157 0.000 1.286 223 T N 1.743 116.342 114.554 0.075 0.000 2.813 223 T HA 0.058 4.420 4.350 0.021 0.000 0.297 223 T C 1.129 175.929 174.700 0.166 0.000 1.036 223 T CA -0.049 62.090 62.100 0.065 0.000 1.044 223 T CB 0.476 69.372 68.868 0.048 0.000 0.993 223 T HN 0.343 nan 8.240 nan 0.000 0.535 224 Y N 0.296 120.635 120.300 0.064 0.000 2.193 224 Y HA -0.234 4.328 4.550 0.020 0.000 0.285 224 Y C 3.142 179.045 175.900 0.005 0.000 1.166 224 Y CA 1.055 59.175 58.100 0.034 0.000 1.181 224 Y CB -0.145 38.326 38.460 0.019 0.000 0.976 224 Y HN 0.690 nan 8.280 nan 0.000 0.520 225 T N 0.102 114.759 114.554 0.172 0.000 2.848 225 T HA -0.194 4.169 4.350 0.021 0.000 0.269 225 T C 1.436 176.167 174.700 0.052 0.000 1.081 225 T CA 1.763 63.910 62.100 0.078 0.000 1.125 225 T CB -0.248 68.655 68.868 0.058 0.000 0.848 225 T HN 0.413 nan 8.240 nan 0.000 0.503 226 N N 0.322 119.069 118.700 0.078 0.000 2.368 226 N HA 0.154 4.906 4.740 0.021 0.000 0.178 226 N C 1.915 177.445 175.510 0.033 0.000 1.021 226 N CA 0.578 53.660 53.050 0.053 0.000 0.875 226 N CB -0.208 38.322 38.487 0.072 0.000 1.020 226 N HN 0.376 nan 8.380 nan 0.000 0.433 227 L N 1.461 122.721 121.223 0.062 0.000 2.265 227 L HA -0.085 4.268 4.340 0.021 0.000 0.215 227 L C 1.061 177.901 176.870 -0.049 0.000 1.117 227 L CA 0.924 55.762 54.840 -0.003 0.000 0.782 227 L CB -0.363 41.687 42.059 -0.014 0.000 0.914 227 L HN 0.153 nan 8.230 nan 0.000 0.441 228 N N -0.209 118.463 118.700 -0.048 0.000 2.392 228 N HA -0.048 4.704 4.740 0.021 0.000 0.177 228 N C 1.799 177.250 175.510 -0.099 0.000 1.066 228 N CA 0.405 53.401 53.050 -0.090 0.000 0.895 228 N CB 0.079 38.500 38.487 -0.110 0.000 0.988 228 N HN 0.272 nan 8.380 nan 0.000 0.457 229 R N 0.340 120.796 120.500 -0.073 0.000 2.161 229 R HA 0.132 4.485 4.340 0.021 0.000 0.213 229 R C 1.515 177.750 176.300 -0.107 0.000 1.055 229 R CA 0.353 56.404 56.100 -0.083 0.000 0.996 229 R CB -0.019 30.253 30.300 -0.047 0.000 0.901 229 R HN -0.007 nan 8.270 nan 0.000 0.456 230 L N 0.591 121.754 121.223 -0.100 0.000 2.492 230 L HA 0.050 4.402 4.340 0.021 0.000 0.223 230 L C 1.302 178.087 176.870 -0.142 0.000 1.132 230 L CA 1.083 55.840 54.840 -0.140 0.000 0.850 230 L CB 0.078 42.078 42.059 -0.098 0.000 0.966 230 L HN 0.165 nan 8.230 nan 0.000 0.454 231 I N -0.941 119.566 120.570 -0.105 0.000 2.429 231 I HA 0.064 4.246 4.170 0.021 0.000 0.247 231 I C 2.350 178.389 176.117 -0.131 0.000 1.099 231 I CA 1.150 62.408 61.300 -0.070 0.000 1.422 231 I CB -1.994 35.976 38.000 -0.050 0.000 1.112 231 I HN 0.293 nan 8.210 nan 0.000 0.430 232 G N 0.290 108.987 108.800 -0.172 0.000 2.586 232 G HA2 -0.253 3.719 3.960 0.021 0.000 0.215 232 G HA3 -0.253 3.719 3.960 0.021 0.000 0.215 232 G C 1.539 176.339 174.900 -0.167 0.000 1.128 232 G CA 0.440 45.411 45.100 -0.215 0.000 0.774 232 G HN 0.323 nan 8.290 nan 0.000 0.543 233 Q N -0.413 119.279 119.800 -0.180 0.000 2.402 233 Q HA 0.245 4.598 4.340 0.021 0.000 0.206 233 Q C 1.830 177.703 176.000 -0.213 0.000 0.919 233 Q CA 0.158 55.819 55.803 -0.237 0.000 0.923 233 Q CB 0.007 28.491 28.738 -0.423 0.000 1.048 233 Q HN 0.428 nan 8.270 nan 0.000 0.515 234 I N -0.785 119.713 120.570 -0.120 0.000 4.082 234 I HA 0.100 4.283 4.170 0.021 0.000 0.337 234 I C 0.387 176.541 176.117 0.062 0.000 1.352 234 I CA 0.433 61.757 61.300 0.039 0.000 1.097 234 I CB 0.431 38.475 38.000 0.074 0.000 1.048 234 I HN -0.020 nan 8.210 nan 0.000 0.393 235 V N 0.968 120.864 119.914 -0.030 0.000 2.788 235 V HA 0.024 4.156 4.120 0.021 0.000 0.241 235 V C 2.024 178.115 176.094 -0.005 0.000 1.083 235 V CA 1.268 63.528 62.300 -0.067 0.000 1.103 235 V CB 0.005 31.723 31.823 -0.175 0.000 0.800 235 V HN 0.572 nan 8.190 nan 0.000 0.476 236 S N -0.493 115.187 115.700 -0.035 0.000 3.054 236 S HA 0.095 4.578 4.470 0.021 0.000 0.243 236 S C 0.897 175.611 174.600 0.191 0.000 1.013 236 S CA 0.750 59.024 58.200 0.122 0.000 1.119 236 S CB -0.034 63.221 63.200 0.091 0.000 0.838 236 S HN 0.400 nan 8.310 nan 0.000 0.505 237 S N 0.555 116.356 115.700 0.168 0.000 4.238 237 S HA 0.336 4.819 4.470 0.021 0.000 0.167 237 S C 1.332 176.047 174.600 0.193 0.000 0.921 237 S CA 0.097 58.406 58.200 0.182 0.000 1.128 237 S CB -0.667 62.640 63.200 0.178 0.000 1.636 237 S HN 0.406 nan 8.310 nan 0.000 0.753 238 I N 2.201 122.857 120.570 0.144 0.000 2.247 238 I HA -0.382 3.800 4.170 0.021 0.000 0.249 238 I C 1.908 178.257 176.117 0.387 0.000 1.027 238 I CA 1.710 63.117 61.300 0.178 0.000 1.316 238 I CB -0.664 37.248 38.000 -0.147 0.000 1.007 238 I HN 0.380 nan 8.210 nan 0.000 0.430 239 T N -0.822 113.896 114.554 0.273 0.000 2.947 239 T HA 0.370 4.733 4.350 0.021 0.000 0.180 239 T C 1.745 176.502 174.700 0.095 0.000 0.750 239 T CA 0.421 62.661 62.100 0.232 0.000 1.687 239 T CB -0.616 68.415 68.868 0.272 0.000 2.488 239 T HN 0.360 nan 8.240 nan 0.000 0.417 240 A N 2.079 124.926 122.820 0.045 0.000 1.771 240 A HA -0.337 3.995 4.320 0.021 0.000 0.290 240 A C 2.379 179.750 177.584 -0.356 0.000 3.024 240 A CA 4.340 56.226 52.037 -0.252 0.000 0.911 240 A CB -2.031 16.901 19.000 -0.112 0.000 0.802 240 A HN 0.846 nan 8.150 nan 0.000 0.514 241 S N -0.157 115.535 115.700 -0.013 0.000 2.492 241 S HA -0.257 4.225 4.470 0.021 0.000 0.234 241 S C 1.762 176.440 174.600 0.130 0.000 1.050 241 S CA 2.054 60.369 58.200 0.192 0.000 1.203 241 S CB -1.078 62.268 63.200 0.243 0.000 1.161 241 S HN 0.611 nan 8.310 nan 0.000 0.417 242 L N 1.903 123.205 121.223 0.132 0.000 2.077 242 L HA -0.217 4.135 4.340 0.021 0.000 0.231 242 L C 2.772 179.663 176.870 0.036 0.000 1.100 242 L CA 2.162 57.053 54.840 0.085 0.000 0.819 242 L CB -1.860 40.236 42.059 0.061 0.000 0.913 242 L HN 0.484 nan 8.230 nan 0.000 0.446 243 R N -1.237 119.235 120.500 -0.046 0.000 2.355 243 R HA -0.037 4.316 4.340 0.021 0.000 0.219 243 R C 0.933 177.213 176.300 -0.034 0.000 1.107 243 R CA 0.259 56.305 56.100 -0.090 0.000 1.021 243 R CB -0.919 29.274 30.300 -0.179 0.000 0.852 243 R HN 0.306 nan 8.270 nan 0.000 0.475 244 F N 0.300 120.282 119.950 0.053 0.000 2.364 244 F HA 0.128 4.667 4.527 0.021 0.000 0.316 244 F C 0.670 176.496 175.800 0.043 0.000 1.133 244 F CA -1.198 56.832 58.000 0.049 0.000 1.051 244 F CB 0.818 39.864 39.000 0.076 0.000 1.342 244 F HN -0.137 nan 8.300 nan 0.000 0.507 245 D N -0.265 120.305 120.400 0.283 0.000 2.225 245 D HA 0.596 5.249 4.640 0.021 0.000 0.249 245 D C -0.063 176.325 176.300 0.146 0.000 1.052 245 D CA 0.188 54.273 54.000 0.142 0.000 0.909 245 D CB 1.655 42.490 40.800 0.058 0.000 1.186 245 D HN 0.762 nan 8.370 nan 0.000 0.431 246 G N -0.834 108.041 108.800 0.126 0.000 2.321 246 G HA2 0.481 4.453 3.960 0.021 0.000 0.298 246 G HA3 0.481 4.453 3.960 0.021 0.000 0.298 246 G C 0.478 175.442 174.900 0.107 0.000 1.385 246 G CA 0.068 45.257 45.100 0.148 0.000 0.856 246 G HN 0.539 nan 8.290 nan 0.000 0.584 247 A N -0.518 122.362 122.820 0.100 0.000 2.030 247 A HA -0.105 4.228 4.320 0.021 0.000 0.266 247 A C 1.155 178.774 177.584 0.058 0.000 2.529 247 A CA 2.902 54.980 52.037 0.068 0.000 0.955 247 A CB -1.108 17.926 19.000 0.058 0.000 0.765 247 A HN 1.565 nan 8.150 nan 0.000 0.502 248 L N -0.239 121.023 121.223 0.065 0.000 2.470 248 L HA 0.321 4.673 4.340 0.021 0.000 0.253 248 L C -0.295 176.606 176.870 0.052 0.000 1.163 248 L CA -0.396 54.475 54.840 0.052 0.000 0.932 248 L CB 0.596 42.685 42.059 0.050 0.000 1.213 248 L HN 0.316 nan 8.230 nan 0.000 0.485 249 N N 1.116 119.844 118.700 0.046 0.000 2.181 249 N HA 0.058 4.810 4.740 0.021 0.000 0.251 249 N C -0.600 174.901 175.510 -0.015 0.000 1.234 249 N CA 0.560 53.630 53.050 0.033 0.000 0.835 249 N CB 1.303 39.806 38.487 0.028 0.000 1.082 249 N HN 0.225 nan 8.380 nan 0.000 0.460 250 V N 2.195 122.072 119.914 -0.063 0.000 2.398 250 V HA 0.112 4.245 4.120 0.021 0.000 0.282 250 V C -0.472 175.398 176.094 -0.373 0.000 1.014 250 V CA -0.812 61.362 62.300 -0.210 0.000 0.838 250 V CB 1.473 33.161 31.823 -0.226 0.000 1.018 250 V HN 0.592 nan 8.190 nan 0.000 0.432 251 D N 2.828 123.044 120.400 -0.306 0.000 2.356 251 D HA 0.274 4.927 4.640 0.021 0.000 0.258 251 D C 1.390 177.403 176.300 -0.479 0.000 1.279 251 D CA -0.376 53.464 54.000 -0.265 0.000 1.016 251 D CB 0.887 41.608 40.800 -0.131 0.000 1.107 251 D HN 0.268 nan 8.370 nan 0.000 0.544 252 L N -0.254 120.875 121.223 -0.156 0.000 2.131 252 L HA -0.103 4.249 4.340 0.021 0.000 0.206 252 L C 2.514 179.438 176.870 0.091 0.000 1.087 252 L CA 1.235 56.152 54.840 0.129 0.000 0.767 252 L CB -0.922 41.302 42.059 0.276 0.000 0.917 252 L HN 0.544 nan 8.230 nan 0.000 0.441 253 T N -1.994 112.564 114.554 0.006 0.000 2.624 253 T HA -0.274 4.089 4.350 0.021 0.000 0.268 253 T C 1.547 176.258 174.700 0.018 0.000 1.041 253 T CA 1.702 63.814 62.100 0.020 0.000 1.159 253 T CB -0.570 68.293 68.868 -0.008 0.000 0.863 253 T HN 0.431 nan 8.240 nan 0.000 0.434 254 E N 0.925 121.084 120.200 -0.067 0.000 2.085 254 E HA -0.069 4.293 4.350 0.021 0.000 0.194 254 E C 1.897 178.539 176.600 0.070 0.000 0.994 254 E CA 1.123 57.496 56.400 -0.044 0.000 0.801 254 E CB -0.527 29.097 29.700 -0.127 0.000 0.743 254 E HN 0.597 nan 8.360 nan 0.000 0.453 255 F N 2.208 122.215 119.950 0.095 0.000 2.034 255 F HA -0.357 4.183 4.527 0.021 0.000 0.298 255 F C 3.107 178.965 175.800 0.097 0.000 1.193 255 F CA 1.721 59.797 58.000 0.127 0.000 1.208 255 F CB -0.610 38.505 39.000 0.191 0.000 0.945 255 F HN 0.076 nan 8.300 nan 0.000 0.521 256 Q N -0.048 119.940 119.800 0.313 0.000 2.197 256 Q HA -0.200 4.152 4.340 0.021 0.000 0.207 256 Q C 1.559 177.621 176.000 0.102 0.000 0.984 256 Q CA 2.097 57.988 55.803 0.147 0.000 0.869 256 Q CB -1.057 27.733 28.738 0.086 0.000 0.906 256 Q HN 0.376 nan 8.270 nan 0.000 0.426 257 T N 0.897 115.511 114.554 0.100 0.000 2.995 257 T HA -0.002 4.360 4.350 0.021 0.000 0.269 257 T C 1.135 175.877 174.700 0.070 0.000 1.091 257 T CA 1.186 63.322 62.100 0.059 0.000 1.128 257 T CB -0.035 68.858 68.868 0.041 0.000 0.891 257 T HN 0.440 nan 8.240 nan 0.000 0.492 258 N N -0.145 118.622 118.700 0.112 0.000 2.257 258 N HA 0.285 5.037 4.740 0.021 0.000 0.200 258 N C 1.386 176.983 175.510 0.145 0.000 1.163 258 N CA 0.079 53.200 53.050 0.119 0.000 0.891 258 N CB 0.594 39.158 38.487 0.129 0.000 1.067 258 N HN 0.294 nan 8.380 nan 0.000 0.497 259 L N 0.391 121.718 121.223 0.173 0.000 2.316 259 L HA 0.220 4.572 4.340 0.021 0.000 0.207 259 L C 0.698 177.667 176.870 0.165 0.000 1.070 259 L CA 0.400 55.345 54.840 0.176 0.000 0.820 259 L CB 0.587 42.762 42.059 0.194 0.000 0.992 259 L HN -0.123 nan 8.230 nan 0.000 0.466 260 V N 1.466 121.454 119.914 0.123 0.000 2.294 260 V HA 0.246 4.379 4.120 0.021 0.000 0.272 260 V C -1.567 174.566 176.094 0.065 0.000 1.027 260 V CA -1.615 60.750 62.300 0.107 0.000 0.823 260 V CB 1.286 33.111 31.823 0.003 0.000 1.030 260 V HN -0.012 nan 8.190 nan 0.000 0.457 261 P HA -0.065 nan 4.420 nan 0.000 0.215 261 P C -0.641 176.436 177.300 -0.372 0.000 1.157 261 P CA 1.580 64.704 63.100 0.040 0.000 0.874 261 P CB 0.069 32.060 31.700 0.485 0.000 0.790 262 Y N -3.613 116.552 120.300 -0.225 0.000 2.633 262 Y HA 0.297 4.859 4.550 0.021 0.000 0.339 262 Y C -1.307 174.348 175.900 -0.408 0.000 1.045 262 Y CA -2.426 55.481 58.100 -0.321 0.000 1.098 262 Y CB -0.125 38.119 38.460 -0.360 0.000 1.296 262 Y HN -0.234 nan 8.280 nan 0.000 0.494 263 P HA -0.237 nan 4.420 nan 0.000 0.220 263 P C 0.062 177.189 177.300 -0.288 0.000 1.155 263 P CA 1.371 64.359 63.100 -0.187 0.000 0.880 263 P CB 0.168 31.786 31.700 -0.137 0.000 0.790 264 R N 0.410 120.667 120.500 -0.405 0.000 2.478 264 R HA -0.009 4.343 4.340 0.021 0.000 0.281 264 R C 1.699 177.715 176.300 -0.473 0.000 0.939 264 R CA 0.933 56.764 56.100 -0.448 0.000 1.120 264 R CB -1.315 28.670 30.300 -0.526 0.000 0.885 264 R HN 0.209 nan 8.270 nan 0.000 0.415 265 G N 3.411 111.957 108.800 -0.422 0.000 3.079 265 G HA2 -0.149 3.824 3.960 0.021 0.000 0.205 265 G HA3 -0.149 3.824 3.960 0.021 0.000 0.205 265 G C 0.210 174.716 174.900 -0.657 0.000 1.203 265 G CA -0.049 44.787 45.100 -0.440 0.000 0.929 265 G HN 0.745 nan 8.290 nan 0.000 0.498 266 H N -0.364 118.271 119.070 -0.725 0.000 3.083 266 H HA -0.182 4.386 4.556 0.021 0.000 0.271 266 H C -0.335 174.722 175.328 -0.451 0.000 0.847 266 H CA 0.267 55.965 56.048 -0.582 0.000 1.403 266 H CB 0.058 29.711 29.762 -0.183 0.000 1.212 266 H HN 0.314 nan 8.280 nan 0.000 0.552 267 F N 4.639 124.723 119.950 0.223 0.000 2.291 267 F HA 0.291 4.831 4.527 0.022 0.000 0.368 267 F C -2.161 173.611 175.800 -0.046 0.000 1.085 267 F CA -3.601 54.419 58.000 0.034 0.000 1.165 267 F CB -0.221 38.841 39.000 0.103 0.000 1.429 267 F HN 0.244 nan 8.300 nan 0.000 0.503 268 P HA 0.070 nan 4.420 nan 0.000 0.272 268 P C -0.537 176.754 177.300 -0.016 0.000 1.248 268 P CA -0.222 62.909 63.100 0.052 0.000 0.799 268 P CB 0.955 32.722 31.700 0.113 0.000 0.997 269 L N -2.809 118.384 121.223 -0.051 0.000 2.408 269 L HA 0.691 5.044 4.340 0.021 0.000 0.257 269 L C 0.278 177.100 176.870 -0.079 0.000 1.053 269 L CA -1.413 53.361 54.840 -0.110 0.000 0.922 269 L CB -0.125 41.830 42.059 -0.173 0.000 1.261 269 L HN 0.322 nan 8.230 nan 0.000 0.458 270 A N 1.634 124.407 122.820 -0.079 0.000 2.642 270 A HA 0.371 4.703 4.320 0.021 0.000 0.228 270 A C 0.634 178.200 177.584 -0.030 0.000 1.045 270 A CA 1.186 53.179 52.037 -0.073 0.000 0.760 270 A CB -0.202 18.763 19.000 -0.058 0.000 0.958 270 A HN 0.836 nan 8.150 nan 0.000 0.505 271 T N -0.342 114.213 114.554 0.002 0.000 2.731 271 T HA 0.666 5.029 4.350 0.021 0.000 0.300 271 T C -1.797 172.997 174.700 0.157 0.000 1.283 271 T CA -0.171 61.952 62.100 0.038 0.000 1.005 271 T CB 1.102 69.952 68.868 -0.031 0.000 1.420 271 T HN 0.801 nan 8.240 nan 0.000 0.503 272 Y N -1.016 119.262 120.300 -0.036 0.000 2.573 272 Y HA 0.566 5.129 4.550 0.021 0.000 0.328 272 Y C 0.033 175.932 175.900 -0.002 0.000 1.170 272 Y CA -0.320 57.766 58.100 -0.022 0.000 1.078 272 Y CB 1.202 39.657 38.460 -0.008 0.000 1.341 272 Y HN 0.657 nan 8.280 nan 0.000 0.459 273 A N 3.124 125.856 122.820 -0.146 0.000 1.988 273 A HA 0.316 4.649 4.320 0.021 0.000 0.201 273 A C -1.755 175.847 177.584 0.030 0.000 1.410 273 A CA 0.268 52.289 52.037 -0.026 0.000 0.832 273 A CB -0.779 18.193 19.000 -0.047 0.000 0.981 273 A HN 0.462 nan 8.150 nan 0.000 0.492 274 P HA 0.095 nan 4.420 nan 0.000 0.277 274 P C -0.495 176.933 177.300 0.213 0.000 1.617 274 P CA 0.456 63.605 63.100 0.082 0.000 0.829 274 P CB -0.580 31.145 31.700 0.042 0.000 1.774 275 V N 1.691 121.731 119.914 0.209 0.000 2.055 275 V HA 0.106 4.239 4.120 0.021 0.000 0.248 275 V C 0.955 177.120 176.094 0.119 0.000 1.476 275 V CA -0.077 62.333 62.300 0.184 0.000 1.417 275 V CB -0.628 31.288 31.823 0.155 0.000 1.465 275 V HN 0.243 nan 8.190 nan 0.000 0.502 276 I N 2.595 123.233 120.570 0.113 0.000 2.441 276 I HA 0.393 4.576 4.170 0.021 0.000 0.295 276 I C 0.552 176.722 176.117 0.089 0.000 0.994 276 I CA -0.035 61.322 61.300 0.095 0.000 1.144 276 I CB 2.159 40.216 38.000 0.095 0.000 1.314 276 I HN 0.464 nan 8.210 nan 0.000 0.445 277 S N 6.387 122.138 115.700 0.085 0.000 2.507 277 S HA 0.182 4.664 4.470 0.021 0.000 0.299 277 S C 1.057 175.725 174.600 0.113 0.000 1.214 277 S CA -0.120 58.131 58.200 0.085 0.000 1.137 277 S CB -0.034 63.208 63.200 0.071 0.000 1.009 277 S HN 0.721 nan 8.310 nan 0.000 0.512 278 A N 4.659 127.538 122.820 0.099 0.000 2.088 278 A HA 0.172 4.504 4.320 0.021 0.000 0.218 278 A C 1.010 178.674 177.584 0.134 0.000 1.420 278 A CA 0.340 52.438 52.037 0.102 0.000 1.371 278 A CB -0.334 18.707 19.000 0.068 0.000 0.788 278 A HN 0.825 nan 8.150 nan 0.000 0.575 279 E N -2.254 118.076 120.200 0.216 0.000 1.916 279 E HA 0.003 4.366 4.350 0.021 0.000 0.163 279 E C 0.812 177.618 176.600 0.343 0.000 0.816 279 E CA 0.292 56.907 56.400 0.357 0.000 1.258 279 E CB -0.498 29.322 29.700 0.200 0.000 2.604 279 E HN 0.466 nan 8.360 nan 0.000 0.627 280 K N 0.610 121.104 120.400 0.157 0.000 2.399 280 K HA 0.393 4.726 4.320 0.021 0.000 0.196 280 K C 0.106 176.646 176.600 -0.100 0.000 1.117 280 K CA 1.043 57.307 56.287 -0.038 0.000 0.965 280 K CB 1.110 33.610 32.500 -0.000 0.000 0.983 280 K HN 0.013 nan 8.250 nan 0.000 0.531 281 A N 1.131 124.000 122.820 0.081 0.000 2.399 281 A HA 0.336 4.668 4.320 0.021 0.000 0.327 281 A C -1.004 176.774 177.584 0.324 0.000 1.367 281 A CA -0.548 51.558 52.037 0.115 0.000 0.842 281 A CB -0.191 18.874 19.000 0.108 0.000 1.142 281 A HN 0.356 nan 8.150 nan 0.000 0.495 282 Y N 1.816 122.163 120.300 0.078 0.000 2.871 282 Y HA 0.118 4.681 4.550 0.021 0.000 0.378 282 Y C 0.466 176.473 175.900 0.179 0.000 1.069 282 Y CA -0.044 58.110 58.100 0.090 0.000 1.662 282 Y CB -0.153 38.338 38.460 0.053 0.000 1.561 282 Y HN 0.819 nan 8.280 nan 0.000 0.483 283 H N -0.035 119.135 119.070 0.167 0.000 3.128 283 H HA 0.169 4.738 4.556 0.021 0.000 0.336 283 H C -0.061 175.312 175.328 0.074 0.000 1.026 283 H CA -0.887 55.219 56.048 0.097 0.000 1.376 283 H CB 1.104 30.912 29.762 0.077 0.000 1.882 283 H HN 0.139 nan 8.280 nan 0.000 0.479 284 E N 2.486 122.583 120.200 -0.171 0.000 2.421 284 E HA 0.031 4.394 4.350 0.021 0.000 0.209 284 E C 0.195 176.653 176.600 -0.236 0.000 0.871 284 E CA -0.008 56.313 56.400 -0.132 0.000 1.064 284 E CB 0.521 30.190 29.700 -0.052 0.000 1.075 284 E HN 0.493 nan 8.360 nan 0.000 0.513 285 Q N 1.411 120.937 119.800 -0.457 0.000 2.912 285 Q HA 0.031 4.383 4.340 0.021 0.000 0.231 285 Q C -0.395 175.441 176.000 -0.273 0.000 1.304 285 Q CA 0.185 55.783 55.803 -0.341 0.000 0.894 285 Q CB -0.560 27.976 28.738 -0.338 0.000 1.757 285 Q HN 0.013 nan 8.270 nan 0.000 0.521 286 L N 1.338 122.470 121.223 -0.152 0.000 2.504 286 L HA 0.209 4.561 4.340 0.021 0.000 0.249 286 L C -0.370 176.480 176.870 -0.034 0.000 1.120 286 L CA -0.274 54.530 54.840 -0.061 0.000 0.997 286 L CB 0.379 42.424 42.059 -0.025 0.000 1.349 286 L HN 0.130 nan 8.230 nan 0.000 0.439 287 S N 1.002 116.681 115.700 -0.035 0.000 2.734 287 S HA -0.125 4.357 4.470 0.021 0.000 0.330 287 S C 1.847 176.433 174.600 -0.024 0.000 1.230 287 S CA 0.305 58.486 58.200 -0.032 0.000 1.009 287 S CB 0.178 63.360 63.200 -0.029 0.000 0.685 287 S HN 0.465 nan 8.310 nan 0.000 0.468 288 V N 2.753 122.645 119.914 -0.037 0.000 2.252 288 V HA -0.393 3.740 4.120 0.021 0.000 0.255 288 V C 2.561 178.650 176.094 -0.007 0.000 1.071 288 V CA 2.590 64.872 62.300 -0.029 0.000 1.050 288 V CB -1.738 30.014 31.823 -0.119 0.000 0.654 288 V HN 1.062 nan 8.190 nan 0.000 0.448 289 A N -0.134 122.663 122.820 -0.039 0.000 1.848 289 A HA -0.333 4.000 4.320 0.021 0.000 0.217 289 A C 2.051 179.633 177.584 -0.003 0.000 1.220 289 A CA 2.417 54.432 52.037 -0.036 0.000 0.645 289 A CB -0.902 18.068 19.000 -0.050 0.000 0.842 289 A HN 0.572 nan 8.150 nan 0.000 0.451 290 E N 0.090 120.290 120.200 0.000 0.000 2.136 290 E HA -0.279 4.084 4.350 0.021 0.000 0.208 290 E C 1.876 178.497 176.600 0.035 0.000 1.035 290 E CA 1.843 58.253 56.400 0.016 0.000 0.838 290 E CB -0.814 28.897 29.700 0.018 0.000 0.748 290 E HN 0.865 nan 8.360 nan 0.000 0.459 291 I N -1.101 119.494 120.570 0.041 0.000 2.142 291 I HA -0.253 3.929 4.170 0.021 0.000 0.240 291 I C 1.892 178.058 176.117 0.081 0.000 1.078 291 I CA 1.960 63.289 61.300 0.049 0.000 1.343 291 I CB -0.769 37.249 38.000 0.031 0.000 1.046 291 I HN -0.052 nan 8.210 nan 0.000 0.405 292 T N 1.450 116.075 114.554 0.118 0.000 2.721 292 T HA -0.232 4.131 4.350 0.021 0.000 0.268 292 T C 1.634 176.424 174.700 0.150 0.000 1.038 292 T CA 2.426 64.628 62.100 0.169 0.000 1.145 292 T CB -0.820 68.140 68.868 0.154 0.000 0.858 292 T HN 0.550 nan 8.240 nan 0.000 0.459 293 N N 0.358 119.098 118.700 0.068 0.000 2.188 293 N HA -0.005 4.748 4.740 0.021 0.000 0.184 293 N C 2.191 177.787 175.510 0.142 0.000 1.018 293 N CA 0.803 53.886 53.050 0.055 0.000 0.858 293 N CB -0.179 38.320 38.487 0.019 0.000 0.989 293 N HN 0.382 nan 8.380 nan 0.000 0.426 294 A N 0.703 123.597 122.820 0.123 0.000 1.865 294 A HA -0.208 4.124 4.320 0.021 0.000 0.217 294 A C 2.477 180.148 177.584 0.146 0.000 1.191 294 A CA 1.265 53.370 52.037 0.114 0.000 0.623 294 A CB -1.199 17.848 19.000 0.078 0.000 0.826 294 A HN 0.483 nan 8.150 nan 0.000 0.444 295 C N -1.558 117.841 119.300 0.165 0.000 2.336 295 C HA -0.225 4.247 4.460 0.021 0.000 0.275 295 C C 2.288 177.333 174.990 0.090 0.000 1.175 295 C CA 1.376 60.452 59.018 0.096 0.000 1.771 295 C CB -1.891 25.896 27.740 0.078 0.000 2.030 295 C HN 0.636 nan 8.230 nan 0.000 0.442 296 F N 1.824 121.805 119.950 0.051 0.000 2.722 296 F HA 0.048 4.588 4.527 0.021 0.000 0.298 296 F C 1.170 177.030 175.800 0.101 0.000 1.175 296 F CA 0.393 58.448 58.000 0.092 0.000 1.462 296 F CB -1.153 37.883 39.000 0.059 0.000 1.111 296 F HN 0.498 nan 8.300 nan 0.000 0.592 297 E N 3.229 123.562 120.200 0.223 0.000 2.313 297 E HA 0.129 4.492 4.350 0.021 0.000 0.276 297 E C -2.242 174.418 176.600 0.100 0.000 1.031 297 E CA -2.116 54.370 56.400 0.143 0.000 0.857 297 E CB 0.870 30.634 29.700 0.107 0.000 1.040 297 E HN -0.028 nan 8.360 nan 0.000 0.408 298 P HA 0.024 nan 4.420 nan 0.000 0.246 298 P C -0.339 176.978 177.300 0.027 0.000 1.686 298 P CA 0.253 63.375 63.100 0.036 0.000 0.867 298 P CB 0.365 32.078 31.700 0.022 0.000 1.733 299 A N 1.066 123.908 122.820 0.038 0.000 1.921 299 A HA 0.089 4.422 4.320 0.021 0.000 0.202 299 A C 1.822 179.428 177.584 0.037 0.000 1.721 299 A CA 0.027 52.085 52.037 0.035 0.000 1.025 299 A CB -0.349 18.677 19.000 0.043 0.000 1.060 299 A HN 0.111 nan 8.150 nan 0.000 0.535 300 N N 1.390 120.119 118.700 0.048 0.000 2.512 300 N HA -0.049 4.704 4.740 0.021 0.000 0.183 300 N C 0.036 175.569 175.510 0.038 0.000 1.073 300 N CA 0.278 53.361 53.050 0.056 0.000 0.911 300 N CB -0.329 38.205 38.487 0.077 0.000 0.964 300 N HN 0.590 nan 8.380 nan 0.000 0.447 301 Q N 0.313 120.122 119.800 0.015 0.000 2.431 301 Q HA -0.124 4.229 4.340 0.021 0.000 0.349 301 Q C 0.788 176.778 176.000 -0.016 0.000 1.119 301 Q CA 0.366 56.161 55.803 -0.014 0.000 1.065 301 Q CB 0.424 29.140 28.738 -0.037 0.000 1.149 301 Q HN 0.154 nan 8.270 nan 0.000 0.403 302 M N 2.100 121.684 119.600 -0.026 0.000 2.558 302 M HA 0.030 4.523 4.480 0.021 0.000 0.255 302 M C -0.411 175.853 176.300 -0.060 0.000 1.113 302 M CA 0.510 55.793 55.300 -0.029 0.000 1.097 302 M CB 0.888 33.479 32.600 -0.015 0.000 1.426 302 M HN 0.280 nan 8.290 nan 0.000 0.488 303 V N -0.041 119.824 119.914 -0.082 0.000 2.555 303 V HA 0.239 4.372 4.120 0.021 0.000 0.302 303 V C 0.394 176.430 176.094 -0.097 0.000 1.038 303 V CA -0.906 61.328 62.300 -0.110 0.000 0.887 303 V CB 1.898 33.620 31.823 -0.168 0.000 0.991 303 V HN -0.018 nan 8.190 nan 0.000 0.434 304 K N 2.329 122.678 120.400 -0.085 0.000 2.914 304 K HA 0.070 4.402 4.320 0.021 0.000 0.246 304 K C 0.341 176.890 176.600 -0.086 0.000 0.949 304 K CA 0.220 56.467 56.287 -0.068 0.000 1.136 304 K CB -1.024 31.444 32.500 -0.054 0.000 0.976 304 K HN 0.716 nan 8.250 nan 0.000 0.473 305 C N 2.531 121.759 119.300 -0.119 0.000 2.874 305 C HA 0.181 4.654 4.460 0.021 0.000 0.523 305 C C -0.605 174.300 174.990 -0.140 0.000 1.234 305 C CA -1.196 57.733 59.018 -0.148 0.000 1.485 305 C CB -1.732 25.875 27.740 -0.223 0.000 1.916 305 C HN 0.460 nan 8.230 nan 0.000 0.630 306 D N 3.136 123.480 120.400 -0.094 0.000 2.583 306 D HA 0.005 4.657 4.640 0.021 0.000 0.232 306 D C -1.879 174.349 176.300 -0.120 0.000 1.128 306 D CA -0.613 53.338 54.000 -0.080 0.000 0.859 306 D CB 0.376 41.151 40.800 -0.042 0.000 1.169 306 D HN 0.212 nan 8.370 nan 0.000 0.481 307 P HA -0.049 nan 4.420 nan 0.000 0.233 307 P C 0.244 177.449 177.300 -0.159 0.000 1.576 307 P CA 0.142 63.095 63.100 -0.245 0.000 0.962 307 P CB -0.286 31.274 31.700 -0.234 0.000 1.859 308 R N 2.167 122.619 120.500 -0.080 0.000 4.739 308 R HA -0.057 4.295 4.340 0.021 0.000 0.203 308 R C 0.829 177.236 176.300 0.178 0.000 2.125 308 R CA 0.462 56.585 56.100 0.038 0.000 1.743 308 R CB -1.051 29.286 30.300 0.063 0.000 1.271 308 R HN 0.557 nan 8.270 nan 0.000 0.746 309 H N -4.345 114.680 119.070 -0.074 0.000 2.087 309 H HA -0.153 4.416 4.556 0.021 0.000 0.115 309 H C 0.427 175.694 175.328 -0.102 0.000 0.629 309 H CA 0.255 56.265 56.048 -0.064 0.000 0.459 309 H CB -1.571 28.161 29.762 -0.049 0.000 0.319 309 H HN 0.267 nan 8.280 nan 0.000 0.284 310 G N 4.046 112.093 108.800 -1.256 0.000 2.382 310 G HA2 0.128 4.101 3.960 0.021 0.000 0.239 310 G HA3 0.128 4.101 3.960 0.021 0.000 0.239 310 G C -0.391 174.187 174.900 -0.537 0.000 0.948 310 G CA 0.881 45.400 45.100 -0.968 0.000 0.908 310 G HN 0.610 nan 8.290 nan 0.000 0.415 311 K N 2.271 122.431 120.400 -0.400 0.000 2.559 311 K HA 0.206 4.539 4.320 0.021 0.000 0.249 311 K C -0.817 175.568 176.600 -0.358 0.000 0.958 311 K CA -0.609 55.498 56.287 -0.300 0.000 0.901 311 K CB 1.436 33.878 32.500 -0.097 0.000 1.124 311 K HN 0.522 nan 8.250 nan 0.000 0.437 312 Y N 2.046 122.028 120.300 -0.529 0.000 2.903 312 Y HA -0.157 4.405 4.550 0.021 0.000 0.338 312 Y C 1.561 177.153 175.900 -0.513 0.000 1.265 312 Y CA 0.492 58.233 58.100 -0.599 0.000 1.532 312 Y CB 0.223 38.074 38.460 -1.014 0.000 1.293 312 Y HN 0.526 nan 8.280 nan 0.000 0.609 313 M N 1.646 121.206 119.600 -0.067 0.000 2.421 313 M HA 0.406 4.899 4.480 0.021 0.000 0.258 313 M C -0.008 176.284 176.300 -0.014 0.000 1.122 313 M CA 0.527 55.776 55.300 -0.084 0.000 1.078 313 M CB 0.843 33.557 32.600 0.191 0.000 1.380 313 M HN 0.632 nan 8.290 nan 0.000 0.499 314 A N 0.144 123.023 122.820 0.099 0.000 2.045 314 A HA 0.435 4.768 4.320 0.021 0.000 0.298 314 A C -0.560 177.097 177.584 0.122 0.000 1.052 314 A CA -1.190 50.911 52.037 0.107 0.000 0.961 314 A CB -0.567 18.490 19.000 0.096 0.000 1.350 314 A HN 0.259 nan 8.150 nan 0.000 0.352 315 C N -0.211 119.155 119.300 0.110 0.000 2.560 315 C HA 0.655 5.127 4.460 0.021 0.000 0.334 315 C C 1.255 176.350 174.990 0.175 0.000 1.404 315 C CA 0.059 59.157 59.018 0.133 0.000 2.410 315 C CB 1.196 29.064 27.740 0.214 0.000 2.268 315 C HN 1.139 nan 8.230 nan 0.000 0.673 316 C N 1.794 121.198 119.300 0.173 0.000 3.392 316 C HA 0.356 4.829 4.460 0.021 0.000 0.217 316 C C -0.419 174.658 174.990 0.145 0.000 1.222 316 C CA -0.559 58.580 59.018 0.202 0.000 1.200 316 C CB -1.784 26.090 27.740 0.223 0.000 1.818 316 C HN 0.786 nan 8.230 nan 0.000 0.586 317 L N 3.499 124.818 121.223 0.161 0.000 2.562 317 L HA 0.222 4.575 4.340 0.021 0.000 0.271 317 L C -0.041 176.781 176.870 -0.079 0.000 1.167 317 L CA 0.776 55.605 54.840 -0.018 0.000 0.917 317 L CB 0.253 42.350 42.059 0.064 0.000 1.187 317 L HN 0.431 nan 8.230 nan 0.000 0.482 318 L N 5.175 126.291 121.223 -0.178 0.000 2.301 318 L HA 0.384 4.737 4.340 0.021 0.000 0.278 318 L C -0.632 176.128 176.870 -0.184 0.000 1.022 318 L CA -0.644 54.161 54.840 -0.058 0.000 0.854 318 L CB 0.156 42.262 42.059 0.078 0.000 1.226 318 L HN 0.419 nan 8.230 nan 0.000 0.429 319 Y N 2.787 123.114 120.300 0.044 0.000 2.299 319 Y HA 0.476 5.039 4.550 0.021 0.000 0.326 319 Y C 0.631 176.548 175.900 0.028 0.000 1.164 319 Y CA -0.547 57.558 58.100 0.009 0.000 1.234 319 Y CB 1.033 39.487 38.460 -0.010 0.000 1.219 319 Y HN 0.515 nan 8.280 nan 0.000 0.497 320 R N 1.540 122.125 120.500 0.141 0.000 2.515 320 R HA 0.757 5.109 4.340 0.021 0.000 0.291 320 R C -0.116 176.215 176.300 0.051 0.000 1.046 320 R CA -0.367 55.800 56.100 0.112 0.000 0.914 320 R CB 1.543 31.927 30.300 0.140 0.000 1.191 320 R HN 0.860 nan 8.270 nan 0.000 0.435 321 G N 2.076 110.861 108.800 -0.025 0.000 2.785 321 G HA2 -0.232 3.741 3.960 0.021 0.000 0.218 321 G HA3 -0.232 3.741 3.960 0.021 0.000 0.218 321 G C -1.144 173.609 174.900 -0.245 0.000 1.251 321 G CA -0.041 44.981 45.100 -0.130 0.000 1.129 321 G HN 0.602 nan 8.290 nan 0.000 0.573 322 D N 1.818 122.118 120.400 -0.167 0.000 2.631 322 D HA 0.473 5.126 4.640 0.021 0.000 0.227 322 D C -0.032 176.197 176.300 -0.119 0.000 1.146 322 D CA 0.295 54.190 54.000 -0.175 0.000 1.009 322 D CB 0.217 40.940 40.800 -0.128 0.000 1.057 322 D HN 0.483 nan 8.370 nan 0.000 0.509 323 V N 1.200 121.038 119.914 -0.127 0.000 2.577 323 V HA 0.372 4.504 4.120 0.021 0.000 0.303 323 V C 0.409 176.414 176.094 -0.148 0.000 1.042 323 V CA -1.040 61.185 62.300 -0.126 0.000 0.872 323 V CB 1.993 33.769 31.823 -0.078 0.000 0.998 323 V HN -0.088 nan 8.190 nan 0.000 0.423 324 V N 6.008 125.828 119.914 -0.157 0.000 2.509 324 V HA 0.293 4.426 4.120 0.021 0.000 0.284 324 V C -1.454 174.550 176.094 -0.150 0.000 1.047 324 V CA -1.498 60.725 62.300 -0.129 0.000 0.952 324 V CB 2.079 33.840 31.823 -0.104 0.000 0.988 324 V HN 0.751 nan 8.190 nan 0.000 0.469 325 P HA -0.085 nan 4.420 nan 0.000 0.234 325 P C 1.113 178.349 177.300 -0.107 0.000 1.162 325 P CA 0.993 64.033 63.100 -0.100 0.000 0.759 325 P CB 0.186 31.855 31.700 -0.052 0.000 0.813 326 K N -0.653 119.680 120.400 -0.111 0.000 2.399 326 K HA 0.004 4.336 4.320 0.021 0.000 0.196 326 K C 0.667 177.189 176.600 -0.129 0.000 1.117 326 K CA 0.534 56.759 56.287 -0.103 0.000 0.965 326 K CB 0.302 32.755 32.500 -0.078 0.000 0.983 326 K HN -0.066 nan 8.250 nan 0.000 0.531 327 D N 0.607 120.916 120.400 -0.153 0.000 2.183 327 D HA -0.096 4.556 4.640 0.021 0.000 0.203 327 D C 1.758 177.915 176.300 -0.239 0.000 0.969 327 D CA 0.671 54.569 54.000 -0.170 0.000 0.842 327 D CB 0.207 40.910 40.800 -0.163 0.000 0.957 327 D HN -0.045 nan 8.370 nan 0.000 0.484 328 V N 0.752 120.473 119.914 -0.322 0.000 2.488 328 V HA -0.084 4.048 4.120 0.021 0.000 0.246 328 V C 1.303 177.230 176.094 -0.279 0.000 1.046 328 V CA 0.843 62.867 62.300 -0.459 0.000 1.053 328 V CB -0.437 31.022 31.823 -0.606 0.000 0.679 328 V HN 0.276 nan 8.190 nan 0.000 0.458 329 N N 0.281 118.859 118.700 -0.204 0.000 3.245 329 N HA 0.340 5.093 4.740 0.021 0.000 0.296 329 N C 0.217 175.639 175.510 -0.146 0.000 1.254 329 N CA 0.882 53.841 53.050 -0.151 0.000 1.190 329 N CB 0.914 39.337 38.487 -0.108 0.000 1.460 329 N HN 0.438 nan 8.380 nan 0.000 0.538 330 A N 0.611 123.328 122.820 -0.172 0.000 2.571 330 A HA 0.122 4.454 4.320 0.021 0.000 0.194 330 A C 1.547 179.028 177.584 -0.171 0.000 1.772 330 A CA 0.581 52.529 52.037 -0.149 0.000 1.517 330 A CB -1.181 17.744 19.000 -0.125 0.000 1.337 330 A HN 0.330 nan 8.150 nan 0.000 0.362 331 A N 0.506 123.214 122.820 -0.187 0.000 1.978 331 A HA 0.007 4.340 4.320 0.021 0.000 0.220 331 A C 1.878 179.306 177.584 -0.260 0.000 1.170 331 A CA 1.865 53.791 52.037 -0.185 0.000 0.636 331 A CB -0.716 18.190 19.000 -0.157 0.000 0.810 331 A HN 0.654 nan 8.150 nan 0.000 0.448 332 I N -0.672 119.706 120.570 -0.321 0.000 2.716 332 I HA -0.071 4.112 4.170 0.021 0.000 0.259 332 I C 2.083 177.964 176.117 -0.392 0.000 1.172 332 I CA 0.696 61.694 61.300 -0.504 0.000 1.478 332 I CB -0.089 37.522 38.000 -0.649 0.000 1.104 332 I HN 0.287 nan 8.210 nan 0.000 0.439 333 A N 0.232 122.899 122.820 -0.255 0.000 2.426 333 A HA 0.117 4.449 4.320 0.021 0.000 0.247 333 A C 1.390 178.887 177.584 -0.145 0.000 1.389 333 A CA 1.199 53.132 52.037 -0.173 0.000 1.129 333 A CB -0.783 18.141 19.000 -0.127 0.000 0.928 333 A HN 0.477 nan 8.150 nan 0.000 0.557 334 T N -3.523 110.924 114.554 -0.178 0.000 3.466 334 T HA 0.004 4.367 4.350 0.021 0.000 0.281 334 T C 1.398 175.997 174.700 -0.167 0.000 0.857 334 T CA 0.703 62.720 62.100 -0.138 0.000 0.961 334 T CB -0.554 68.242 68.868 -0.120 0.000 1.211 334 T HN 0.027 nan 8.240 nan 0.000 0.559 335 I N 2.742 123.147 120.570 -0.276 0.000 2.194 335 I HA -0.085 4.098 4.170 0.021 0.000 0.246 335 I C 2.396 178.372 176.117 -0.234 0.000 1.093 335 I CA 2.044 63.109 61.300 -0.392 0.000 1.355 335 I CB -0.930 36.605 38.000 -0.775 0.000 1.046 335 I HN 0.504 nan 8.210 nan 0.000 0.413 336 K N 1.318 121.603 120.400 -0.192 0.000 1.963 336 K HA -0.193 4.139 4.320 0.021 0.000 0.216 336 K C 1.802 178.407 176.600 0.009 0.000 1.045 336 K CA 2.474 58.749 56.287 -0.021 0.000 0.954 336 K CB -0.434 32.025 32.500 -0.068 0.000 0.732 336 K HN 0.354 nan 8.250 nan 0.000 0.442 337 T N -0.986 113.549 114.554 -0.032 0.000 3.320 337 T HA -0.043 4.320 4.350 0.021 0.000 0.262 337 T C 1.373 176.070 174.700 -0.005 0.000 1.187 337 T CA 0.997 63.090 62.100 -0.012 0.000 1.038 337 T CB -0.154 68.697 68.868 -0.028 0.000 0.939 337 T HN 0.299 nan 8.240 nan 0.000 0.550 338 K N 0.270 120.665 120.400 -0.007 0.000 2.432 338 K HA 0.061 4.394 4.320 0.021 0.000 0.196 338 K C 1.593 178.215 176.600 0.036 0.000 1.038 338 K CA -0.088 56.199 56.287 0.000 0.000 0.986 338 K CB 0.046 32.534 32.500 -0.020 0.000 0.782 338 K HN 0.066 nan 8.250 nan 0.000 0.485 339 R N -1.398 119.138 120.500 0.060 0.000 1.760 339 R HA -0.203 4.150 4.340 0.021 0.000 0.091 339 R C 0.946 177.306 176.300 0.099 0.000 0.933 339 R CA 2.536 58.686 56.100 0.084 0.000 1.912 339 R CB -2.751 27.585 30.300 0.059 0.000 0.561 339 R HN 0.445 nan 8.270 nan 0.000 0.695 340 T N 0.059 114.660 114.554 0.079 0.000 3.745 340 T HA 0.164 4.527 4.350 0.021 0.000 0.253 340 T C 1.467 176.239 174.700 0.120 0.000 1.088 340 T CA 0.967 63.117 62.100 0.084 0.000 0.969 340 T CB -0.239 68.667 68.868 0.063 0.000 1.075 340 T HN 0.335 nan 8.240 nan 0.000 0.608 341 I N -0.399 120.266 120.570 0.158 0.000 4.323 341 I HA 0.214 4.397 4.170 0.021 0.000 0.328 341 I C 0.598 176.893 176.117 0.297 0.000 1.310 341 I CA -0.134 61.312 61.300 0.244 0.000 1.186 341 I CB 0.063 38.191 38.000 0.214 0.000 1.130 341 I HN 0.151 nan 8.210 nan 0.000 0.411 342 Q N 1.671 121.602 119.800 0.219 0.000 3.095 342 Q HA -0.260 4.093 4.340 0.021 0.000 0.057 342 Q C -1.319 174.785 176.000 0.174 0.000 1.633 342 Q CA 1.053 56.965 55.803 0.182 0.000 0.309 342 Q CB -0.402 28.398 28.738 0.103 0.000 0.603 342 Q HN 0.327 nan 8.270 nan 0.000 0.328 343 F N 1.810 121.821 119.950 0.101 0.000 2.507 343 F HA 0.383 4.922 4.527 0.021 0.000 0.327 343 F C 0.632 176.414 175.800 -0.030 0.000 1.068 343 F CA -0.242 57.787 58.000 0.048 0.000 0.965 343 F CB 1.171 40.156 39.000 -0.025 0.000 1.192 343 F HN 0.392 nan 8.300 nan 0.000 0.476 344 V N 0.502 120.409 119.914 -0.011 0.000 3.393 344 V HA -0.112 4.021 4.120 0.021 0.000 0.296 344 V C 0.638 176.686 176.094 -0.076 0.000 1.204 344 V CA 0.062 62.291 62.300 -0.119 0.000 1.323 344 V CB 0.287 31.790 31.823 -0.534 0.000 1.017 344 V HN 0.907 nan 8.190 nan 0.000 0.511 345 D N 1.697 122.095 120.400 -0.003 0.000 2.107 345 D HA -0.113 4.540 4.640 0.021 0.000 0.204 345 D C 1.798 178.141 176.300 0.071 0.000 0.978 345 D CA 1.768 55.823 54.000 0.092 0.000 0.852 345 D CB -0.207 40.715 40.800 0.203 0.000 1.008 345 D HN 0.885 nan 8.370 nan 0.000 0.458 346 W N 0.417 121.780 121.300 0.106 0.000 2.480 346 W HA 0.014 4.686 4.660 0.021 0.000 0.257 346 W C 0.091 176.665 176.519 0.091 0.000 1.235 346 W CA -0.203 57.199 57.345 0.096 0.000 1.218 346 W CB -1.687 27.838 29.460 0.108 0.000 1.131 346 W HN 0.071 nan 8.180 nan 0.000 0.606 347 C N 5.666 124.720 119.300 -0.410 0.000 2.250 347 C HA 0.304 4.777 4.460 0.021 0.000 0.319 347 C C 0.338 175.227 174.990 -0.168 0.000 1.124 347 C CA -1.932 56.888 59.018 -0.330 0.000 1.527 347 C CB 0.040 27.399 27.740 -0.636 0.000 2.001 347 C HN 0.043 nan 8.230 nan 0.000 0.435 348 P HA -0.023 nan 4.420 nan 0.000 0.215 348 P C 0.295 177.530 177.300 -0.109 0.000 1.157 348 P CA 1.530 64.595 63.100 -0.059 0.000 0.863 348 P CB 0.153 31.846 31.700 -0.013 0.000 0.787 349 T N 0.315 114.802 114.554 -0.111 0.000 3.141 349 T HA 0.443 4.806 4.350 0.021 0.000 0.377 349 T C 0.219 174.808 174.700 -0.185 0.000 1.258 349 T CA -0.541 61.484 62.100 -0.124 0.000 1.263 349 T CB 0.807 69.662 68.868 -0.021 0.000 1.066 349 T HN 0.032 nan 8.240 nan 0.000 0.546 350 G N 1.654 110.176 108.800 -0.463 0.000 3.286 350 G HA2 0.549 4.522 3.960 0.021 0.000 0.303 350 G HA3 0.549 4.522 3.960 0.021 0.000 0.303 350 G C -0.265 174.194 174.900 -0.735 0.000 0.974 350 G CA -0.402 44.436 45.100 -0.436 0.000 1.635 350 G HN 0.711 nan 8.290 nan 0.000 0.535 351 F N 1.144 121.075 119.950 -0.031 0.000 2.470 351 F HA 0.279 4.819 4.527 0.021 0.000 0.383 351 F C 0.796 176.637 175.800 0.067 0.000 1.510 351 F CA -1.041 56.973 58.000 0.023 0.000 1.085 351 F CB 1.099 40.077 39.000 -0.037 0.000 1.466 351 F HN 0.089 nan 8.300 nan 0.000 0.517 352 K N 2.889 123.416 120.400 0.213 0.000 2.258 352 K HA 0.049 4.382 4.320 0.021 0.000 0.266 352 K C 0.002 176.731 176.600 0.216 0.000 1.204 352 K CA 0.325 56.721 56.287 0.182 0.000 1.206 352 K CB -0.253 32.348 32.500 0.168 0.000 0.854 352 K HN 0.177 nan 8.250 nan 0.000 0.453 353 V N 2.161 122.196 119.914 0.202 0.000 3.133 353 V HA 0.472 4.605 4.120 0.021 0.000 0.305 353 V C 1.143 177.349 176.094 0.188 0.000 1.084 353 V CA -0.180 62.253 62.300 0.221 0.000 1.089 353 V CB 1.470 33.407 31.823 0.190 0.000 1.073 353 V HN 0.831 nan 8.190 nan 0.000 0.477 354 G N 1.569 110.500 108.800 0.219 0.000 2.706 354 G HA2 0.749 4.722 3.960 0.021 0.000 0.297 354 G HA3 0.749 4.722 3.960 0.021 0.000 0.297 354 G C -1.538 173.494 174.900 0.220 0.000 1.403 354 G CA -0.489 44.718 45.100 0.178 0.000 0.954 354 G HN 0.572 nan 8.290 nan 0.000 0.500 355 I N 1.636 122.310 120.570 0.174 0.000 2.586 355 I HA 0.182 4.364 4.170 0.021 0.000 0.281 355 I C 0.009 176.215 176.117 0.149 0.000 1.145 355 I CA -0.482 60.922 61.300 0.174 0.000 1.073 355 I CB 1.695 39.766 38.000 0.118 0.000 1.238 355 I HN 0.545 nan 8.210 nan 0.000 0.461 356 N N 2.276 121.074 118.700 0.164 0.000 2.374 356 N HA 0.245 4.998 4.740 0.021 0.000 0.284 356 N C 0.028 175.626 175.510 0.147 0.000 1.280 356 N CA -0.164 52.999 53.050 0.188 0.000 0.963 356 N CB 1.138 39.769 38.487 0.241 0.000 1.141 356 N HN 0.564 nan 8.380 nan 0.000 0.565 357 Y N -0.539 119.781 120.300 0.033 0.000 2.535 357 Y HA 0.248 4.810 4.550 0.021 0.000 0.264 357 Y C -0.065 175.813 175.900 -0.036 0.000 1.087 357 Y CA -0.129 57.960 58.100 -0.018 0.000 1.285 357 Y CB 0.661 39.082 38.460 -0.066 0.000 1.200 357 Y HN 0.512 nan 8.280 nan 0.000 0.514 358 E N 3.070 123.329 120.200 0.098 0.000 2.146 358 E HA 0.249 4.612 4.350 0.021 0.000 0.282 358 E C -2.547 174.101 176.600 0.080 0.000 0.989 358 E CA -2.862 53.572 56.400 0.056 0.000 0.799 358 E CB 0.974 30.651 29.700 -0.037 0.000 1.088 358 E HN 0.035 nan 8.360 nan 0.000 0.397 359 P HA 0.165 nan 4.420 nan 0.000 0.286 359 P C -2.493 174.874 177.300 0.112 0.000 1.293 359 P CA -1.133 62.007 63.100 0.066 0.000 0.770 359 P CB -0.166 31.552 31.700 0.031 0.000 1.206 360 P HA 0.087 nan 4.420 nan 0.000 0.282 360 P C -0.398 176.973 177.300 0.119 0.000 1.286 360 P CA 0.340 63.531 63.100 0.152 0.000 0.777 360 P CB -0.076 31.738 31.700 0.189 0.000 1.184 361 T N -2.766 111.856 114.554 0.113 0.000 3.816 361 T HA 0.214 4.577 4.350 0.021 0.000 0.232 361 T C 0.083 174.827 174.700 0.073 0.000 1.125 361 T CA -0.534 61.621 62.100 0.092 0.000 1.609 361 T CB -0.758 68.175 68.868 0.108 0.000 0.805 361 T HN 0.100 nan 8.240 nan 0.000 0.647 362 V N 1.870 121.823 119.914 0.065 0.000 2.992 362 V HA -0.089 4.044 4.120 0.021 0.000 0.294 362 V C 1.144 177.263 176.094 0.041 0.000 1.254 362 V CA 0.112 62.440 62.300 0.046 0.000 1.359 362 V CB 0.300 32.151 31.823 0.047 0.000 0.914 362 V HN 0.601 nan 8.190 nan 0.000 0.519 363 V N 7.901 127.834 119.914 0.030 0.000 2.458 363 V HA 0.017 4.149 4.120 0.021 0.000 0.287 363 V C -0.802 175.313 176.094 0.036 0.000 1.009 363 V CA -0.558 61.763 62.300 0.034 0.000 1.091 363 V CB 0.392 32.230 31.823 0.024 0.000 0.960 363 V HN 0.903 nan 8.190 nan 0.000 0.476 364 P HA -0.213 nan 4.420 nan 0.000 0.225 364 P C 1.194 178.512 177.300 0.030 0.000 1.154 364 P CA 1.921 65.041 63.100 0.035 0.000 0.885 364 P CB 0.213 31.934 31.700 0.036 0.000 0.785 365 G N -3.036 105.783 108.800 0.031 0.000 3.596 365 G HA2 0.347 4.320 3.960 0.021 0.000 0.274 365 G HA3 0.347 4.320 3.960 0.021 0.000 0.274 365 G C 0.791 175.708 174.900 0.029 0.000 1.007 365 G CA 0.322 45.439 45.100 0.028 0.000 0.825 365 G HN 0.418 nan 8.290 nan 0.000 0.508 366 G N 0.061 108.879 108.800 0.029 0.000 2.467 366 G HA2 0.200 4.173 3.960 0.021 0.000 0.243 366 G HA3 0.200 4.173 3.960 0.021 0.000 0.243 366 G C 0.283 175.202 174.900 0.031 0.000 1.521 366 G CA 0.446 45.562 45.100 0.027 0.000 1.055 366 G HN 0.076 nan 8.290 nan 0.000 0.553 367 D N -1.001 119.418 120.400 0.032 0.000 2.500 367 D HA 0.062 4.715 4.640 0.021 0.000 0.217 367 D C 0.718 177.045 176.300 0.045 0.000 1.159 367 D CA -0.140 53.885 54.000 0.041 0.000 0.828 367 D CB 0.237 41.062 40.800 0.041 0.000 1.039 367 D HN 0.242 nan 8.370 nan 0.000 0.512 368 L N 0.791 122.037 121.223 0.038 0.000 2.375 368 L HA 0.460 4.813 4.340 0.021 0.000 0.276 368 L C 1.738 178.642 176.870 0.057 0.000 1.162 368 L CA -0.576 54.291 54.840 0.046 0.000 0.991 368 L CB 0.540 42.615 42.059 0.027 0.000 1.315 368 L HN -0.225 nan 8.230 nan 0.000 0.431 369 A N 3.003 125.863 122.820 0.067 0.000 2.236 369 A HA -0.264 4.068 4.320 0.021 0.000 0.223 369 A C 1.195 178.814 177.584 0.058 0.000 1.173 369 A CA 1.653 53.729 52.037 0.065 0.000 0.676 369 A CB -0.650 18.399 19.000 0.081 0.000 0.808 369 A HN 0.983 nan 8.150 nan 0.000 0.486 370 K N -3.575 116.866 120.400 0.068 0.000 7.484 370 K HA -0.014 4.319 4.320 0.021 0.000 0.590 370 K C -0.887 175.749 176.600 0.060 0.000 2.588 370 K CA 0.941 57.269 56.287 0.069 0.000 2.018 370 K CB -1.199 31.334 32.500 0.054 0.000 2.133 370 K HN 0.759 nan 8.250 nan 0.000 0.239 371 V N 3.211 123.163 119.914 0.064 0.000 3.202 371 V HA 0.309 4.442 4.120 0.021 0.000 0.306 371 V C 0.807 176.919 176.094 0.030 0.000 1.283 371 V CA -0.698 61.624 62.300 0.037 0.000 1.065 371 V CB 1.741 33.584 31.823 0.033 0.000 1.079 371 V HN 0.824 nan 8.190 nan 0.000 0.448 372 Q N 0.771 120.574 119.800 0.005 0.000 2.049 372 Q HA -0.031 4.321 4.340 0.021 0.000 0.198 372 Q C 1.068 177.065 176.000 -0.006 0.000 0.971 372 Q CA 1.341 57.140 55.803 -0.007 0.000 0.833 372 Q CB 0.073 28.794 28.738 -0.028 0.000 0.896 372 Q HN 0.783 nan 8.270 nan 0.000 0.434 373 R N -0.470 120.028 120.500 -0.003 0.000 2.730 373 R HA 0.708 5.061 4.340 0.021 0.000 0.228 373 R C -0.916 175.384 176.300 0.001 0.000 1.312 373 R CA -0.252 55.852 56.100 0.008 0.000 1.093 373 R CB 1.014 31.325 30.300 0.017 0.000 1.583 373 R HN -0.046 nan 8.270 nan 0.000 0.535 374 A N -0.354 122.451 122.820 -0.026 0.000 2.544 374 A HA 0.373 4.705 4.320 0.021 0.000 0.300 374 A C -0.999 176.424 177.584 -0.270 0.000 0.963 374 A CA -0.577 51.349 52.037 -0.184 0.000 0.771 374 A CB 0.064 18.985 19.000 -0.131 0.000 1.125 374 A HN 0.579 nan 8.150 nan 0.000 0.377 375 V N -1.313 118.309 119.914 -0.485 0.000 3.406 375 V HA 0.733 4.866 4.120 0.021 0.000 0.305 375 V C 0.926 176.722 176.094 -0.496 0.000 1.136 375 V CA -0.068 61.922 62.300 -0.515 0.000 1.011 375 V CB 1.489 33.026 31.823 -0.476 0.000 1.221 375 V HN 1.429 nan 8.190 nan 0.000 0.454 376 C N -0.295 118.830 119.300 -0.293 0.000 3.981 376 C HA 0.356 4.828 4.460 0.021 0.000 0.306 376 C C 0.499 175.436 174.990 -0.089 0.000 2.005 376 C CA -0.382 58.582 59.018 -0.089 0.000 1.655 376 C CB -0.568 27.177 27.740 0.009 0.000 3.164 376 C HN 0.948 nan 8.230 nan 0.000 0.554 377 M N 2.457 121.964 119.600 -0.155 0.000 2.206 377 M HA -0.139 4.353 4.480 0.021 0.000 0.535 377 M C -0.335 175.904 176.300 -0.102 0.000 1.364 377 M CA 1.100 56.318 55.300 -0.136 0.000 0.680 377 M CB -0.116 32.363 32.600 -0.202 0.000 1.937 377 M HN 0.431 nan 8.290 nan 0.000 0.558 378 L N 4.550 125.726 121.223 -0.079 0.000 2.529 378 L HA 0.647 5.000 4.340 0.021 0.000 0.246 378 L C 0.008 176.886 176.870 0.013 0.000 1.394 378 L CA -0.409 54.389 54.840 -0.070 0.000 0.906 378 L CB 0.219 42.154 42.059 -0.208 0.000 1.170 378 L HN 0.676 nan 8.230 nan 0.000 0.501 379 S N 0.023 115.728 115.700 0.009 0.000 2.645 379 S HA 0.405 4.887 4.470 0.021 0.000 0.266 379 S C 0.059 174.702 174.600 0.072 0.000 1.258 379 S CA -0.581 57.659 58.200 0.068 0.000 0.990 379 S CB 1.120 64.391 63.200 0.119 0.000 0.967 379 S HN 0.676 nan 8.310 nan 0.000 0.556 380 N N 1.146 119.906 118.700 0.099 0.000 2.626 380 N HA 0.220 4.973 4.740 0.021 0.000 0.249 380 N C -1.254 174.274 175.510 0.031 0.000 1.021 380 N CA -0.178 52.928 53.050 0.094 0.000 0.886 380 N CB 1.432 40.029 38.487 0.182 0.000 1.149 380 N HN 0.760 nan 8.380 nan 0.000 0.517 381 T N 0.790 115.261 114.554 -0.139 0.000 2.918 381 T HA 0.265 4.628 4.350 0.021 0.000 0.286 381 T C 0.503 174.973 174.700 -0.384 0.000 1.026 381 T CA -0.177 61.728 62.100 -0.326 0.000 1.031 381 T CB 0.836 69.291 68.868 -0.688 0.000 1.046 381 T HN 0.293 nan 8.240 nan 0.000 0.479 382 T N 3.667 118.021 114.554 -0.332 0.000 4.096 382 T HA 0.306 4.669 4.350 0.021 0.000 0.241 382 T C 1.220 175.623 174.700 -0.496 0.000 0.869 382 T CA 0.360 62.298 62.100 -0.270 0.000 0.909 382 T CB -0.822 68.004 68.868 -0.070 0.000 1.260 382 T HN 0.665 nan 8.240 nan 0.000 0.692 383 A N 1.530 124.035 122.820 -0.525 0.000 1.993 383 A HA 0.203 4.536 4.320 0.021 0.000 0.202 383 A C 1.989 179.380 177.584 -0.323 0.000 1.461 383 A CA -0.140 51.615 52.037 -0.471 0.000 0.824 383 A CB 0.065 18.785 19.000 -0.466 0.000 1.024 383 A HN 0.508 nan 8.150 nan 0.000 0.507 384 I N 1.017 121.325 120.570 -0.437 0.000 2.623 384 I HA -0.205 3.977 4.170 0.021 0.000 0.261 384 I C 2.338 178.306 176.117 -0.247 0.000 1.204 384 I CA 1.358 62.360 61.300 -0.497 0.000 1.444 384 I CB -2.092 35.512 38.000 -0.660 0.000 1.094 384 I HN 0.270 nan 8.210 nan 0.000 0.451 385 A N 0.835 123.558 122.820 -0.162 0.000 2.194 385 A HA -0.177 4.156 4.320 0.021 0.000 0.220 385 A C 2.215 179.882 177.584 0.140 0.000 1.162 385 A CA 1.291 53.383 52.037 0.092 0.000 0.674 385 A CB -0.348 18.730 19.000 0.129 0.000 0.789 385 A HN 0.535 nan 8.150 nan 0.000 0.470 386 E N -0.385 119.853 120.200 0.063 0.000 2.023 386 E HA 0.054 4.417 4.350 0.021 0.000 0.195 386 E C 2.509 179.139 176.600 0.050 0.000 0.964 386 E CA 0.731 57.162 56.400 0.050 0.000 0.845 386 E CB -0.686 29.024 29.700 0.016 0.000 0.813 386 E HN 0.444 nan 8.360 nan 0.000 0.476 387 A N 1.353 124.159 122.820 -0.024 0.000 1.940 387 A HA -0.235 4.098 4.320 0.021 0.000 0.221 387 A C 2.033 179.742 177.584 0.208 0.000 1.190 387 A CA 1.973 54.033 52.037 0.038 0.000 0.647 387 A CB -1.512 17.518 19.000 0.049 0.000 0.821 387 A HN 0.450 nan 8.150 nan 0.000 0.457 388 W N -0.636 120.749 121.300 0.141 0.000 2.302 388 W HA -0.221 4.451 4.660 0.020 0.000 0.320 388 W C 2.865 179.441 176.519 0.095 0.000 1.241 388 W CA 1.303 58.715 57.345 0.112 0.000 1.264 388 W CB -0.303 29.137 29.460 -0.034 0.000 1.154 388 W HN 0.464 nan 8.180 nan 0.000 0.483 389 A N 0.643 123.646 122.820 0.305 0.000 1.851 389 A HA -0.240 4.093 4.320 0.021 0.000 0.216 389 A C 2.035 179.723 177.584 0.174 0.000 1.195 389 A CA 2.092 54.243 52.037 0.190 0.000 0.622 389 A CB -0.807 18.264 19.000 0.118 0.000 0.831 389 A HN 0.139 nan 8.150 nan 0.000 0.444 390 R N -0.425 120.148 120.500 0.121 0.000 2.070 390 R HA -0.075 4.277 4.340 0.021 0.000 0.232 390 R C 2.074 178.446 176.300 0.120 0.000 1.138 390 R CA 1.398 57.547 56.100 0.083 0.000 0.936 390 R CB -1.781 28.523 30.300 0.008 0.000 0.839 390 R HN 0.556 nan 8.270 nan 0.000 0.429 391 L N 1.901 123.177 121.223 0.089 0.000 2.651 391 L HA -0.149 4.203 4.340 0.021 0.000 0.236 391 L C 1.795 178.767 176.870 0.170 0.000 1.173 391 L CA 1.317 56.189 54.840 0.053 0.000 0.843 391 L CB -0.195 41.793 42.059 -0.118 0.000 0.964 391 L HN 0.260 nan 8.230 nan 0.000 0.454 392 D N -1.736 118.791 120.400 0.211 0.000 2.431 392 D HA -0.221 4.432 4.640 0.021 0.000 0.235 392 D C 1.918 178.360 176.300 0.237 0.000 0.980 392 D CA 0.351 54.468 54.000 0.195 0.000 0.912 392 D CB -0.269 40.617 40.800 0.144 0.000 1.056 392 D HN 0.463 nan 8.370 nan 0.000 0.494 393 H N 1.764 120.911 119.070 0.128 0.000 2.457 393 H HA -0.028 4.541 4.556 0.021 0.000 0.297 393 H C 1.617 177.024 175.328 0.132 0.000 1.092 393 H CA 1.194 57.315 56.048 0.121 0.000 1.309 393 H CB 0.295 30.105 29.762 0.079 0.000 1.382 393 H HN 0.137 nan 8.280 nan 0.000 0.535 394 K N -0.410 120.166 120.400 0.293 0.000 2.026 394 K HA -0.148 4.185 4.320 0.021 0.000 0.208 394 K C 2.177 178.853 176.600 0.128 0.000 1.048 394 K CA 1.338 57.738 56.287 0.188 0.000 0.929 394 K CB -0.347 32.218 32.500 0.108 0.000 0.713 394 K HN 0.158 nan 8.250 nan 0.000 0.439 395 F N 2.787 122.767 119.950 0.049 0.000 2.120 395 F HA -0.325 4.216 4.527 0.024 0.000 0.300 395 F C 1.728 177.633 175.800 0.175 0.000 1.095 395 F CA 1.667 59.741 58.000 0.123 0.000 1.249 395 F CB -0.062 38.995 39.000 0.096 0.000 0.995 395 F HN 0.108 nan 8.300 nan 0.000 0.480 396 D N 0.776 121.353 120.400 0.295 0.000 2.106 396 D HA -0.240 4.413 4.640 0.021 0.000 0.194 396 D C 2.501 178.846 176.300 0.076 0.000 0.988 396 D CA 1.897 56.002 54.000 0.175 0.000 0.845 396 D CB -1.022 39.755 40.800 -0.038 0.000 0.990 396 D HN 0.289 nan 8.370 nan 0.000 0.448 397 L N 0.275 121.461 121.223 -0.062 0.000 2.082 397 L HA -0.287 4.065 4.340 0.021 0.000 0.223 397 L C 2.691 179.584 176.870 0.038 0.000 1.086 397 L CA 1.431 56.259 54.840 -0.021 0.000 0.793 397 L CB -0.607 41.449 42.059 -0.005 0.000 0.896 397 L HN 0.156 nan 8.230 nan 0.000 0.441 398 M N -1.601 118.021 119.600 0.036 0.000 2.333 398 M HA -0.233 4.259 4.480 0.021 0.000 0.264 398 M C 2.336 178.759 176.300 0.205 0.000 1.107 398 M CA 1.632 56.971 55.300 0.066 0.000 1.092 398 M CB -0.983 31.506 32.600 -0.185 0.000 1.212 398 M HN 0.050 nan 8.290 nan 0.000 0.462 399 Y N 1.409 121.795 120.300 0.145 0.000 2.316 399 Y HA -0.299 4.263 4.550 0.020 0.000 0.279 399 Y C 2.189 178.122 175.900 0.054 0.000 1.217 399 Y CA 1.514 59.658 58.100 0.072 0.000 1.273 399 Y CB -0.643 37.774 38.460 -0.071 0.000 0.970 399 Y HN 0.350 nan 8.280 nan 0.000 0.553 400 A N -0.613 122.244 122.820 0.062 0.000 2.216 400 A HA -0.068 4.265 4.320 0.021 0.000 0.214 400 A C 1.725 179.270 177.584 -0.064 0.000 1.160 400 A CA 1.404 53.426 52.037 -0.025 0.000 0.725 400 A CB -0.280 18.733 19.000 0.022 0.000 0.784 400 A HN 0.556 nan 8.150 nan 0.000 0.472 401 K N -2.147 118.228 120.400 -0.042 0.000 2.553 401 K HA 0.178 4.511 4.320 0.021 0.000 0.205 401 K C 0.198 176.784 176.600 -0.024 0.000 1.168 401 K CA -0.407 55.864 56.287 -0.028 0.000 1.043 401 K CB 0.858 33.372 32.500 0.024 0.000 0.967 401 K HN 0.149 nan 8.250 nan 0.000 0.585 402 R N -0.812 119.644 120.500 -0.073 0.000 4.037 402 R HA -0.325 4.027 4.340 0.021 0.000 0.418 402 R C 1.170 177.601 176.300 0.219 0.000 0.701 402 R CA 1.532 57.607 56.100 -0.042 0.000 1.660 402 R CB -2.360 27.882 30.300 -0.097 0.000 2.238 402 R HN 0.422 nan 8.270 nan 0.000 0.429 403 A N 0.393 123.351 122.820 0.230 0.000 5.330 403 A HA -0.333 3.999 4.320 0.021 0.000 0.357 403 A C 1.117 178.949 177.584 0.413 0.000 1.623 403 A CA 2.473 54.726 52.037 0.360 0.000 0.744 403 A CB -1.900 17.436 19.000 0.561 0.000 1.497 403 A HN 0.293 nan 8.150 nan 0.000 0.422 404 F N 0.271 120.465 119.950 0.408 0.000 2.795 404 F HA 0.181 4.722 4.527 0.023 0.000 0.303 404 F C 2.088 178.171 175.800 0.473 0.000 1.186 404 F CA 0.187 58.468 58.000 0.470 0.000 1.415 404 F CB -1.137 38.163 39.000 0.498 0.000 1.106 404 F HN 0.188 nan 8.300 nan 0.000 0.558 405 V N 1.453 121.663 119.914 0.493 0.000 2.233 405 V HA -0.416 3.717 4.120 0.021 0.000 0.252 405 V C 2.962 179.169 176.094 0.188 0.000 1.063 405 V CA 2.608 65.006 62.300 0.164 0.000 1.032 405 V CB -0.936 30.803 31.823 -0.140 0.000 0.645 405 V HN 0.561 nan 8.190 nan 0.000 0.446 406 H N -2.171 116.948 119.070 0.081 0.000 2.431 406 H HA -0.297 4.269 4.556 0.017 0.000 0.297 406 H C 2.015 177.361 175.328 0.030 0.000 1.115 406 H CA 2.106 58.133 56.048 -0.035 0.000 1.277 406 H CB -1.005 28.634 29.762 -0.206 0.000 1.372 406 H HN 0.612 nan 8.280 nan 0.000 0.516 407 W N 0.486 121.498 121.300 -0.479 0.000 2.747 407 W HA -0.067 4.595 4.660 0.003 0.000 0.244 407 W C 0.938 177.329 176.519 -0.213 0.000 1.270 407 W CA 0.396 57.541 57.345 -0.333 0.000 1.333 407 W CB -0.032 29.212 29.460 -0.360 0.000 1.139 407 W HN 0.239 nan 8.180 nan 0.000 0.662 408 Y N -2.556 117.873 120.300 0.214 0.000 2.886 408 Y HA -0.076 4.488 4.550 0.023 0.000 0.244 408 Y C 2.216 178.187 175.900 0.117 0.000 1.017 408 Y CA 0.468 58.707 58.100 0.232 0.000 1.389 408 Y CB -0.935 37.710 38.460 0.309 0.000 1.477 408 Y HN -0.341 nan 8.280 nan 0.000 0.466 409 V N 0.192 120.232 119.914 0.210 0.000 2.313 409 V HA -0.318 3.815 4.120 0.021 0.000 0.253 409 V C 2.382 178.515 176.094 0.065 0.000 1.070 409 V CA 2.158 64.505 62.300 0.078 0.000 1.057 409 V CB -1.802 30.030 31.823 0.015 0.000 0.653 409 V HN 0.580 nan 8.190 nan 0.000 0.450 410 G N 0.022 108.870 108.800 0.080 0.000 2.440 410 G HA2 -0.224 3.748 3.960 0.021 0.000 0.218 410 G HA3 -0.224 3.748 3.960 0.021 0.000 0.218 410 G C 1.182 176.126 174.900 0.075 0.000 1.154 410 G CA 0.735 45.869 45.100 0.057 0.000 0.767 410 G HN 0.550 nan 8.290 nan 0.000 0.552 411 E N 0.426 120.696 120.200 0.118 0.000 2.382 411 E HA 0.360 4.722 4.350 0.021 0.000 0.190 411 E C 1.064 177.711 176.600 0.079 0.000 1.125 411 E CA 0.271 56.746 56.400 0.126 0.000 0.929 411 E CB -0.697 29.108 29.700 0.175 0.000 1.053 411 E HN 0.465 nan 8.360 nan 0.000 0.475 412 G N 1.299 110.112 108.800 0.022 0.000 2.815 412 G HA2 -0.199 3.773 3.960 0.021 0.000 0.234 412 G HA3 -0.199 3.773 3.960 0.021 0.000 0.234 412 G C -0.227 174.516 174.900 -0.261 0.000 0.971 412 G CA 0.102 45.154 45.100 -0.081 0.000 1.124 412 G HN 0.043 nan 8.290 nan 0.000 0.435 413 M N 0.208 119.714 119.600 -0.157 0.000 2.833 413 M HA 0.471 4.964 4.480 0.021 0.000 0.270 413 M C -0.695 175.575 176.300 -0.051 0.000 1.209 413 M CA -0.662 54.545 55.300 -0.154 0.000 0.826 413 M CB 2.226 34.867 32.600 0.068 0.000 1.657 413 M HN 0.487 nan 8.290 nan 0.000 0.492 414 E N 0.057 120.258 120.200 0.001 0.000 2.343 414 E HA 0.265 4.627 4.350 0.021 0.000 0.270 414 E C 0.135 176.760 176.600 0.043 0.000 0.895 414 E CA -0.672 55.736 56.400 0.013 0.000 0.767 414 E CB 1.945 31.658 29.700 0.021 0.000 1.248 414 E HN 0.621 nan 8.360 nan 0.000 0.440 415 E N 1.790 122.003 120.200 0.021 0.000 2.333 415 E HA -0.211 4.152 4.350 0.021 0.000 0.200 415 E C 1.294 177.969 176.600 0.125 0.000 1.010 415 E CA 1.660 58.097 56.400 0.061 0.000 0.841 415 E CB -0.112 29.619 29.700 0.052 0.000 0.757 415 E HN 0.774 nan 8.360 nan 0.000 0.508 416 G N 1.168 110.023 108.800 0.091 0.000 2.434 416 G HA2 -0.250 3.722 3.960 0.021 0.000 0.214 416 G HA3 -0.250 3.722 3.960 0.021 0.000 0.214 416 G C 1.475 176.417 174.900 0.070 0.000 1.202 416 G CA 0.557 45.704 45.100 0.078 0.000 0.788 416 G HN 0.200 nan 8.290 nan 0.000 0.539 417 E N 0.483 120.742 120.200 0.099 0.000 2.095 417 E HA -0.192 4.170 4.350 0.021 0.000 0.212 417 E C 2.249 178.798 176.600 -0.084 0.000 1.044 417 E CA 1.139 57.566 56.400 0.045 0.000 0.857 417 E CB -0.552 29.244 29.700 0.159 0.000 0.764 417 E HN 0.401 nan 8.360 nan 0.000 0.462 418 F N 1.120 120.917 119.950 -0.255 0.000 2.126 418 F HA -0.188 4.351 4.527 0.020 0.000 0.299 418 F C 2.736 178.293 175.800 -0.404 0.000 1.096 418 F CA 1.146 58.904 58.000 -0.403 0.000 1.255 418 F CB -0.862 37.724 39.000 -0.690 0.000 0.997 418 F HN -0.060 nan 8.300 nan 0.000 0.479 419 S N 0.020 115.699 115.700 -0.034 0.000 2.398 419 S HA -0.246 4.236 4.470 0.021 0.000 0.220 419 S C 1.878 176.411 174.600 -0.113 0.000 1.038 419 S CA 1.617 59.810 58.200 -0.011 0.000 1.080 419 S CB -0.529 62.711 63.200 0.066 0.000 1.039 419 S HN 0.262 nan 8.310 nan 0.000 0.419 420 E N 1.739 121.878 120.200 -0.103 0.000 2.045 420 E HA -0.131 4.232 4.350 0.021 0.000 0.212 420 E C 1.982 178.426 176.600 -0.261 0.000 1.039 420 E CA 1.369 57.697 56.400 -0.120 0.000 0.860 420 E CB -0.701 28.972 29.700 -0.044 0.000 0.776 420 E HN 0.512 nan 8.360 nan 0.000 0.467 421 A N 0.032 122.515 122.820 -0.562 0.000 2.330 421 A HA -0.188 4.144 4.320 0.021 0.000 0.207 421 A C 1.759 178.955 177.584 -0.646 0.000 1.261 421 A CA 1.711 53.225 52.037 -0.871 0.000 0.753 421 A CB -0.489 17.818 19.000 -1.156 0.000 0.754 421 A HN 0.063 nan 8.150 nan 0.000 0.512 422 R N -0.933 119.284 120.500 -0.472 0.000 2.502 422 R HA 0.174 4.527 4.340 0.021 0.000 0.174 422 R C 1.589 177.756 176.300 -0.222 0.000 1.201 422 R CA 0.897 56.738 56.100 -0.432 0.000 1.151 422 R CB -0.482 29.590 30.300 -0.380 0.000 1.202 422 R HN 0.383 nan 8.270 nan 0.000 0.509 423 E N 0.814 120.927 120.200 -0.145 0.000 2.169 423 E HA -0.269 4.094 4.350 0.021 0.000 0.202 423 E C 1.108 177.656 176.600 -0.087 0.000 1.016 423 E CA 1.876 58.226 56.400 -0.084 0.000 0.817 423 E CB -0.187 29.482 29.700 -0.052 0.000 0.736 423 E HN 0.397 nan 8.360 nan 0.000 0.462 424 D N -0.258 120.088 120.400 -0.090 0.000 2.088 424 D HA -0.185 4.468 4.640 0.021 0.000 0.191 424 D C 1.890 178.124 176.300 -0.109 0.000 0.992 424 D CA 1.356 55.322 54.000 -0.058 0.000 0.831 424 D CB 0.090 40.933 40.800 0.071 0.000 0.973 424 D HN 0.004 nan 8.370 nan 0.000 0.447 425 M N 0.512 120.019 119.600 -0.155 0.000 2.082 425 M HA -0.162 4.330 4.480 0.021 0.000 0.258 425 M C 2.429 178.658 176.300 -0.118 0.000 1.069 425 M CA 1.501 56.698 55.300 -0.172 0.000 1.102 425 M CB -1.580 30.909 32.600 -0.186 0.000 1.336 425 M HN 0.119 nan 8.290 nan 0.000 0.404 426 A N 0.409 123.172 122.820 -0.095 0.000 1.954 426 A HA -0.210 4.122 4.320 0.021 0.000 0.222 426 A C 2.471 180.021 177.584 -0.058 0.000 1.199 426 A CA 3.056 55.058 52.037 -0.057 0.000 0.657 426 A CB -1.132 17.839 19.000 -0.048 0.000 0.823 426 A HN 0.551 nan 8.150 nan 0.000 0.463 427 A N -1.124 121.650 122.820 -0.076 0.000 1.855 427 A HA 0.031 4.364 4.320 0.021 0.000 0.215 427 A C 1.944 179.476 177.584 -0.088 0.000 1.191 427 A CA 1.573 53.562 52.037 -0.080 0.000 0.613 427 A CB -0.666 18.279 19.000 -0.092 0.000 0.829 427 A HN 0.739 nan 8.150 nan 0.000 0.442 428 L N 0.151 121.303 121.223 -0.118 0.000 2.651 428 L HA -0.113 4.239 4.340 0.021 0.000 0.236 428 L C 1.807 178.645 176.870 -0.054 0.000 1.173 428 L CA 2.065 56.825 54.840 -0.135 0.000 0.843 428 L CB -0.626 41.270 42.059 -0.271 0.000 0.964 428 L HN 0.674 nan 8.230 nan 0.000 0.454 429 E N -0.670 119.511 120.200 -0.031 0.000 2.134 429 E HA -0.054 4.309 4.350 0.021 0.000 0.194 429 E C 1.197 177.812 176.600 0.024 0.000 0.937 429 E CA 0.027 56.444 56.400 0.028 0.000 0.874 429 E CB 0.056 29.765 29.700 0.016 0.000 0.853 429 E HN 0.367 nan 8.360 nan 0.000 0.471 430 K N 0.933 121.325 120.400 -0.013 0.000 2.914 430 K HA -0.064 4.269 4.320 0.021 0.000 0.246 430 K C 0.181 176.754 176.600 -0.045 0.000 0.949 430 K CA 0.520 56.792 56.287 -0.025 0.000 1.136 430 K CB 0.172 32.649 32.500 -0.038 0.000 0.976 430 K HN 0.157 nan 8.250 nan 0.000 0.473 431 D N -1.265 119.120 120.400 -0.026 0.000 2.017 431 D HA -0.053 4.600 4.640 0.021 0.000 0.336 431 D C 0.505 176.804 176.300 -0.001 0.000 1.104 431 D CA 0.015 53.971 54.000 -0.073 0.000 0.965 431 D CB -0.174 40.552 40.800 -0.124 0.000 1.864 431 D HN 0.256 nan 8.370 nan 0.000 0.538 432 Y N 0.944 121.238 120.300 -0.009 0.000 2.502 432 Y HA 0.069 4.632 4.550 0.021 0.000 0.295 432 Y C 1.385 177.318 175.900 0.055 0.000 1.193 432 Y CA 0.995 59.102 58.100 0.012 0.000 1.295 432 Y CB 0.693 39.164 38.460 0.019 0.000 1.059 432 Y HN 0.141 nan 8.280 nan 0.000 0.514 433 E N -1.527 118.792 120.200 0.199 0.000 2.444 433 E HA -0.022 4.340 4.350 0.021 0.000 0.209 433 E C 1.430 178.086 176.600 0.092 0.000 0.806 433 E CA 0.229 56.711 56.400 0.138 0.000 1.240 433 E CB -0.285 29.456 29.700 0.068 0.000 1.238 433 E HN 0.341 nan 8.360 nan 0.000 0.591 434 E N 1.369 121.598 120.200 0.048 0.000 1.999 434 E HA -0.127 4.236 4.350 0.021 0.000 0.194 434 E C 1.907 178.504 176.600 -0.006 0.000 0.995 434 E CA 1.640 58.038 56.400 -0.002 0.000 0.825 434 E CB -0.185 29.481 29.700 -0.057 0.000 0.777 434 E HN 0.075 nan 8.360 nan 0.000 0.459 435 V N 0.741 120.612 119.914 -0.071 0.000 2.280 435 V HA -0.310 3.823 4.120 0.021 0.000 0.258 435 V C 1.469 177.628 176.094 0.108 0.000 1.081 435 V CA 1.974 64.200 62.300 -0.122 0.000 1.070 435 V CB -0.905 30.833 31.823 -0.141 0.000 0.666 435 V HN 0.501 nan 8.190 nan 0.000 0.450 436 G N -3.611 105.323 108.800 0.223 0.000 2.671 436 G HA2 0.447 4.420 3.960 0.021 0.000 0.275 436 G HA3 0.447 4.420 3.960 0.021 0.000 0.275 436 G C 0.599 175.612 174.900 0.189 0.000 1.368 436 G CA 0.345 45.624 45.100 0.298 0.000 1.044 436 G HN 0.329 nan 8.290 nan 0.000 0.543 437 V N -1.145 118.874 119.914 0.175 0.000 0.449 437 V HA -0.262 3.871 4.120 0.021 0.000 0.092 437 V C 0.657 176.818 176.094 0.111 0.000 2.531 437 V CA 2.508 64.885 62.300 0.128 0.000 3.708 437 V CB -1.636 30.245 31.823 0.098 0.000 0.981 437 V HN 0.986 nan 8.190 nan 0.000 1.031 438 D N -0.065 120.403 120.400 0.112 0.000 2.193 438 D HA 0.584 5.236 4.640 0.021 0.000 0.244 438 D C -0.064 176.316 176.300 0.132 0.000 1.064 438 D CA 0.702 54.758 54.000 0.094 0.000 0.845 438 D CB 1.793 42.627 40.800 0.057 0.000 1.148 438 D HN 0.493 nan 8.370 nan 0.000 0.464 439 S N 0.000 115.773 115.700 0.122 0.000 2.498 439 S HA 0.000 4.483 4.470 0.021 0.000 0.327 439 S CA 0.000 58.289 58.200 0.149 0.000 1.107 439 S CB 0.000 63.279 63.200 0.132 0.000 0.593 439 S HN 0.000 nan 8.310 nan 0.000 0.517