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 2uxv_1_B DATA FIRST_RESID 29 DATA SEQUENCE GQQQPLPVPP LLESRRGQPL FMTVQRAHWS FTPGTRASVW GINGRYLGPT DATA SEQUENCE IRVWKGDDVK LIYSNRLTEN VSMTVAGLQV PGPLMGGPAR MMSPNADWAP DATA SEQUENCE VLPIRQNAAT LWYHANTPNR TAQQVYNGLA GMWLVEDEVS KSLPIPNHYG DATA SEQUENCE VDDFPVIIQD KRLDNFGTPE YNEPGSGGFV GDTLLVNGVQ SPYVEVSRGW DATA SEQUENCE VRLRLLNASN SRRYQLQMND GRPLHVISGD QGFLPAPVSV KQLSLAPGER DATA SEQUENCE REILVDMSNG DEVSITCXXX XXXXXXXXXX XXXXXXLVST LVLTLRPTGL DATA SEQUENCE LPLVTDSLPM RLLPTEIMAG SPIRSRDISL GDDPGINGQL WDVNRIDVTA DATA SEQUENCE QQGTWERWTV RADEPQAFHI EGVMFQIRNV NGAMPFPEDR GWKDTVWVDG DATA SEQUENCE QVELLVYFGQ PSWAHFPFYF NSQTLEMADR GSIGQLLVNP V 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 29 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 29 G C 0.000 174.895 174.900 -0.008 0.000 0.946 29 G CA 0.000 45.075 45.100 -0.041 0.000 0.502 30 Q N 1.207 120.998 119.800 -0.016 0.000 2.306 30 Q HA 0.576 4.917 4.340 0.001 0.000 0.241 30 Q C 0.299 176.312 176.000 0.021 0.000 0.948 30 Q CA -0.302 55.504 55.803 0.006 0.000 0.886 30 Q CB 0.820 29.556 28.738 -0.002 0.000 1.227 30 Q HN 0.691 nan 8.270 nan 0.000 0.457 31 Q N 1.895 121.728 119.800 0.055 0.000 2.306 31 Q HA -0.161 4.180 4.340 0.001 0.000 0.322 31 Q C -1.219 174.922 176.000 0.235 0.000 1.249 31 Q CA -0.163 55.703 55.803 0.106 0.000 0.769 31 Q CB -0.062 28.726 28.738 0.083 0.000 0.970 31 Q HN 0.664 nan 8.270 nan 0.000 0.324 32 Q N 2.680 122.575 119.800 0.159 0.000 2.524 32 Q HA 0.304 4.645 4.340 0.001 0.000 0.246 32 Q C -2.103 173.895 176.000 -0.004 0.000 1.063 32 Q CA -0.911 54.969 55.803 0.128 0.000 0.945 32 Q CB -0.040 28.711 28.738 0.022 0.000 1.292 32 Q HN 0.419 nan 8.270 nan 0.000 0.518 33 P HA 0.122 nan 4.420 nan 0.000 0.274 33 P C -0.617 176.453 177.300 -0.383 0.000 1.246 33 P CA -0.552 62.117 63.100 -0.719 0.000 0.795 33 P CB 0.416 31.860 31.700 -0.428 0.000 1.006 34 L N 3.090 124.065 121.223 -0.413 0.000 2.290 34 L HA 0.465 4.806 4.340 0.001 0.000 0.284 34 L C -2.410 174.398 176.870 -0.103 0.000 1.078 34 L CA -1.920 52.796 54.840 -0.207 0.000 0.815 34 L CB 0.266 42.179 42.059 -0.243 0.000 1.162 34 L HN 0.232 nan 8.230 nan 0.000 0.435 35 P HA 0.174 nan 4.420 nan 0.000 0.276 35 P C -1.258 176.106 177.300 0.107 0.000 1.235 35 P CA -0.206 62.953 63.100 0.098 0.000 0.772 35 P CB 1.127 32.989 31.700 0.270 0.000 0.871 36 V N 6.176 126.151 119.914 0.102 0.000 2.293 36 V HA 0.238 4.359 4.120 0.001 0.000 0.275 36 V C -2.054 174.146 176.094 0.177 0.000 1.021 36 V CA -1.898 60.463 62.300 0.103 0.000 0.815 36 V CB 0.744 32.587 31.823 0.032 0.000 1.025 36 V HN 0.535 nan 8.190 nan 0.000 0.448 37 P HA 0.063 nan 4.420 nan 0.000 0.261 37 P C -2.312 175.152 177.300 0.273 0.000 1.173 37 P CA -0.576 62.658 63.100 0.223 0.000 0.760 37 P CB -0.262 31.559 31.700 0.201 0.000 0.783 38 P HA -0.075 nan 4.420 nan 0.000 0.266 38 P C -0.499 176.842 177.300 0.068 0.000 1.193 38 P CA -0.011 63.179 63.100 0.151 0.000 0.770 38 P CB 0.481 32.239 31.700 0.098 0.000 0.836 39 L N 4.216 125.428 121.223 -0.019 0.000 2.278 39 L HA 0.250 4.591 4.340 0.001 0.000 0.287 39 L C -0.351 176.423 176.870 -0.160 0.000 1.072 39 L CA -0.492 54.192 54.840 -0.260 0.000 0.819 39 L CB -0.134 41.665 42.059 -0.433 0.000 1.176 39 L HN 0.203 nan 8.230 nan 0.000 0.435 40 L N 5.527 126.643 121.223 -0.179 0.000 2.314 40 L HA 0.398 4.739 4.340 0.001 0.000 0.275 40 L C 0.046 176.791 176.870 -0.209 0.000 1.068 40 L CA 0.257 55.004 54.840 -0.154 0.000 0.894 40 L CB 0.379 42.349 42.059 -0.148 0.000 1.275 40 L HN 0.655 nan 8.230 nan 0.000 0.432 41 E N 1.688 121.796 120.200 -0.153 0.000 2.301 41 E HA 0.323 4.674 4.350 0.001 0.000 0.275 41 E C -0.220 176.315 176.600 -0.108 0.000 1.030 41 E CA -0.380 55.941 56.400 -0.132 0.000 0.852 41 E CB 1.022 30.692 29.700 -0.050 0.000 1.060 41 E HN 0.693 nan 8.360 nan 0.000 0.401 42 S N 4.128 119.765 115.700 -0.104 0.000 2.603 42 S HA 0.548 5.019 4.470 0.001 0.000 0.268 42 S C -0.461 174.129 174.600 -0.016 0.000 1.317 42 S CA -0.684 57.467 58.200 -0.082 0.000 1.012 42 S CB 0.991 64.143 63.200 -0.080 0.000 0.926 42 S HN 0.605 nan 8.310 nan 0.000 0.539 43 R N 0.613 121.090 120.500 -0.037 0.000 3.321 43 R HA 0.220 4.560 4.340 0.001 0.000 0.271 43 R C -2.064 174.210 176.300 -0.043 0.000 0.994 43 R CA -0.768 55.313 56.100 -0.032 0.000 0.920 43 R CB -0.503 29.778 30.300 -0.032 0.000 1.271 43 R HN 0.773 nan 8.270 nan 0.000 0.531 44 R N 0.778 121.252 120.500 -0.043 0.000 2.404 44 R HA 0.515 4.856 4.340 0.001 0.000 0.315 44 R C 1.063 177.341 176.300 -0.037 0.000 1.032 44 R CA 1.222 57.296 56.100 -0.043 0.000 0.992 44 R CB 0.107 30.383 30.300 -0.041 0.000 0.959 44 R HN 1.042 nan 8.270 nan 0.000 0.428 45 G N 1.886 110.663 108.800 -0.038 0.000 3.345 45 G HA2 -0.169 3.792 3.960 0.001 0.000 0.199 45 G HA3 -0.169 3.792 3.960 0.001 0.000 0.199 45 G C -0.061 174.824 174.900 -0.025 0.000 1.057 45 G CA -0.587 44.496 45.100 -0.028 0.000 0.865 45 G HN 0.496 nan 8.290 nan 0.000 0.449 46 Q N 1.000 120.783 119.800 -0.028 0.000 2.204 46 Q HA 0.632 4.972 4.340 0.001 0.000 0.254 46 Q C -2.458 173.478 176.000 -0.106 0.000 0.981 46 Q CA -1.765 54.026 55.803 -0.021 0.000 0.897 46 Q CB 2.593 31.343 28.738 0.020 0.000 1.273 46 Q HN 0.274 nan 8.270 nan 0.000 0.464 47 P HA 0.406 nan 4.420 nan 0.000 0.293 47 P C -1.212 175.858 177.300 -0.384 0.000 1.305 47 P CA -0.653 62.232 63.100 -0.359 0.000 0.874 47 P CB 1.203 32.563 31.700 -0.566 0.000 1.288 48 L N 0.443 121.412 121.223 -0.422 0.000 2.282 48 L HA 0.393 4.734 4.340 0.001 0.000 0.288 48 L C -0.190 176.422 176.870 -0.430 0.000 1.033 48 L CA -0.643 54.004 54.840 -0.321 0.000 0.807 48 L CB 0.245 42.110 42.059 -0.324 0.000 1.209 48 L HN 0.202 nan 8.230 nan 0.000 0.423 49 F N 4.218 124.067 119.950 -0.169 0.000 2.375 49 F HA 0.330 4.858 4.527 0.001 0.000 0.362 49 F C 0.398 176.113 175.800 -0.142 0.000 1.129 49 F CA -0.319 57.596 58.000 -0.143 0.000 1.154 49 F CB 0.783 39.731 39.000 -0.087 0.000 1.205 49 F HN 0.290 nan 8.300 nan 0.000 0.513 50 M N 3.859 123.412 119.600 -0.079 0.000 2.208 50 M HA 0.213 4.694 4.480 0.001 0.000 0.352 50 M C -0.460 175.903 176.300 0.105 0.000 1.137 50 M CA -0.084 55.189 55.300 -0.046 0.000 1.091 50 M CB 0.730 33.165 32.600 -0.275 0.000 1.309 50 M HN 0.348 nan 8.290 nan 0.000 0.408 51 T N 2.714 117.336 114.554 0.113 0.000 2.738 51 T HA 0.399 4.750 4.350 0.001 0.000 0.298 51 T C 0.439 175.190 174.700 0.085 0.000 0.962 51 T CA -0.361 61.803 62.100 0.106 0.000 0.972 51 T CB 1.084 70.001 68.868 0.082 0.000 0.928 51 T HN 0.316 nan 8.240 nan 0.000 0.474 52 V N 6.241 126.198 119.914 0.070 0.000 2.470 52 V HA 0.335 4.456 4.120 0.001 0.000 0.276 52 V C 0.343 176.387 176.094 -0.085 0.000 1.040 52 V CA 0.032 62.329 62.300 -0.004 0.000 1.008 52 V CB 0.125 31.921 31.823 -0.044 0.000 0.990 52 V HN 0.970 nan 8.190 nan 0.000 0.477 53 Q N 4.446 124.186 119.800 -0.100 0.000 2.814 53 Q HA 0.647 4.988 4.340 0.001 0.000 0.322 53 Q C -0.923 175.023 176.000 -0.089 0.000 0.861 53 Q CA -1.246 54.489 55.803 -0.114 0.000 0.773 53 Q CB 1.856 30.584 28.738 -0.017 0.000 1.423 53 Q HN 0.462 nan 8.270 nan 0.000 0.495 54 R N -0.444 120.050 120.500 -0.011 0.000 2.541 54 R HA 0.890 5.231 4.340 0.001 0.000 0.263 54 R C -0.822 175.564 176.300 0.144 0.000 1.112 54 R CA 0.162 56.339 56.100 0.130 0.000 1.170 54 R CB 1.506 31.886 30.300 0.133 0.000 1.167 54 R HN 0.732 nan 8.270 nan 0.000 0.582 55 A N -0.086 122.829 122.820 0.158 0.000 2.490 55 A HA 0.325 4.646 4.320 0.001 0.000 0.292 55 A C -1.814 175.834 177.584 0.106 0.000 1.047 55 A CA -0.798 51.344 52.037 0.175 0.000 0.632 55 A CB 1.037 20.172 19.000 0.226 0.000 1.323 55 A HN 0.706 nan 8.150 nan 0.000 0.448 56 H N -0.177 119.005 119.070 0.187 0.000 2.469 56 H HA 0.520 5.077 4.556 0.001 0.000 0.342 56 H C -1.233 174.214 175.328 0.199 0.000 1.115 56 H CA 0.027 56.171 56.048 0.160 0.000 1.204 56 H CB 1.699 31.513 29.762 0.086 0.000 1.492 56 H HN 0.701 nan 8.280 nan 0.000 0.499 57 W N 1.906 123.204 121.300 -0.004 0.000 3.029 57 W HA 0.309 4.970 4.660 0.001 0.000 0.339 57 W C -1.110 175.226 176.519 -0.305 0.000 1.198 57 W CA -0.795 56.420 57.345 -0.217 0.000 1.148 57 W CB 2.440 31.628 29.460 -0.453 0.000 1.451 57 W HN 0.515 nan 8.180 nan 0.000 0.564 58 S N 2.121 117.235 115.700 -0.978 0.000 2.774 58 S HA 0.355 4.826 4.470 0.001 0.000 0.297 58 S C -0.261 174.006 174.600 -0.555 0.000 1.143 58 S CA -0.616 57.255 58.200 -0.547 0.000 1.090 58 S CB 0.524 63.484 63.200 -0.401 0.000 1.019 58 S HN 0.339 nan 8.310 nan 0.000 0.482 59 F N 1.492 121.471 119.950 0.047 0.000 2.512 59 F HA 0.232 4.760 4.527 0.001 0.000 0.296 59 F C 1.709 177.534 175.800 0.041 0.000 1.110 59 F CA 0.349 58.421 58.000 0.120 0.000 1.446 59 F CB 0.204 39.256 39.000 0.086 0.000 1.092 59 F HN 0.587 nan 8.300 nan 0.000 0.554 60 T N 0.357 115.017 114.554 0.177 0.000 2.896 60 T HA 0.483 4.834 4.350 0.001 0.000 0.297 60 T C -2.983 171.735 174.700 0.029 0.000 1.108 60 T CA -2.310 59.849 62.100 0.098 0.000 1.004 60 T CB 2.096 71.036 68.868 0.120 0.000 1.159 60 T HN -0.319 nan 8.240 nan 0.000 0.499 61 P HA 0.447 nan 4.420 nan 0.000 0.298 61 P C -0.525 176.779 177.300 0.006 0.000 1.334 61 P CA -0.466 62.625 63.100 -0.015 0.000 0.942 61 P CB 1.645 33.331 31.700 -0.023 0.000 1.162 62 G N 1.260 110.059 108.800 -0.002 0.000 4.464 62 G HA2 0.243 4.204 3.960 0.001 0.000 0.297 62 G HA3 0.243 4.204 3.960 0.001 0.000 0.297 62 G C 0.039 174.927 174.900 -0.020 0.000 1.342 62 G CA -0.080 45.004 45.100 -0.027 0.000 1.335 62 G HN 0.342 nan 8.290 nan 0.000 0.609 63 T N 0.451 115.004 114.554 -0.000 0.000 2.882 63 T HA 0.570 4.921 4.350 0.001 0.000 0.287 63 T C 0.116 174.822 174.700 0.010 0.000 1.014 63 T CA -0.034 62.086 62.100 0.033 0.000 1.049 63 T CB 1.261 70.188 68.868 0.099 0.000 1.001 63 T HN 0.392 nan 8.240 nan 0.000 0.525 64 R N 0.277 120.808 120.500 0.052 0.000 2.515 64 R HA 0.607 4.948 4.340 0.001 0.000 0.278 64 R C -1.825 174.576 176.300 0.169 0.000 1.107 64 R CA -0.449 55.694 56.100 0.072 0.000 0.945 64 R CB 1.333 31.653 30.300 0.034 0.000 1.219 64 R HN 0.755 nan 8.270 nan 0.000 0.434 65 A N 1.694 124.645 122.820 0.219 0.000 2.515 65 A HA 0.574 4.895 4.320 0.001 0.000 0.296 65 A C -1.118 176.556 177.584 0.151 0.000 1.094 65 A CA -0.570 51.604 52.037 0.229 0.000 0.718 65 A CB 2.084 21.260 19.000 0.293 0.000 1.307 65 A HN 0.497 nan 8.150 nan 0.000 0.408 66 S N 0.298 116.011 115.700 0.021 0.000 2.465 66 S HA 0.556 5.027 4.470 0.001 0.000 0.279 66 S C 0.172 174.786 174.600 0.023 0.000 1.201 66 S CA 0.099 58.210 58.200 -0.148 0.000 1.053 66 S CB -0.510 62.581 63.200 -0.182 0.000 0.953 66 S HN 1.756 nan 8.310 nan 0.000 0.488 67 V N 3.012 122.990 119.914 0.107 0.000 3.271 67 V HA 0.824 4.944 4.120 0.001 0.000 0.305 67 V C -1.171 175.168 176.094 0.409 0.000 1.303 67 V CA -1.073 61.337 62.300 0.183 0.000 1.038 67 V CB 0.620 32.601 31.823 0.264 0.000 1.197 67 V HN 0.790 nan 8.190 nan 0.000 0.478 68 W N -1.172 120.216 121.300 0.147 0.000 2.882 68 W HA 0.924 5.585 4.660 0.001 0.000 0.345 68 W C 0.306 176.861 176.519 0.061 0.000 1.125 68 W CA -0.124 57.273 57.345 0.086 0.000 1.167 68 W CB 1.717 31.209 29.460 0.054 0.000 1.431 68 W HN 1.198 nan 8.180 nan 0.000 0.543 69 G N 0.097 109.032 108.800 0.226 0.000 2.364 69 G HA2 0.531 4.492 3.960 0.001 0.000 0.286 69 G HA3 0.531 4.492 3.960 0.001 0.000 0.286 69 G C -2.197 172.757 174.900 0.090 0.000 1.241 69 G CA -0.861 44.292 45.100 0.089 0.000 0.887 69 G HN 0.268 nan 8.290 nan 0.000 0.484 70 I N 0.938 121.569 120.570 0.101 0.000 2.478 70 I HA 0.378 4.549 4.170 0.001 0.000 0.287 70 I C -0.482 175.700 176.117 0.109 0.000 1.042 70 I CA -0.672 60.703 61.300 0.126 0.000 1.067 70 I CB 2.046 40.170 38.000 0.205 0.000 1.233 70 I HN 0.495 nan 8.210 nan 0.000 0.431 71 N N 4.439 123.195 118.700 0.093 0.000 2.815 71 N HA -0.160 4.581 4.740 0.001 0.000 0.249 71 N C 0.709 176.276 175.510 0.095 0.000 1.114 71 N CA 1.334 54.434 53.050 0.083 0.000 0.717 71 N CB -1.361 37.172 38.487 0.078 0.000 1.074 71 N HN 1.176 nan 8.380 nan 0.000 0.555 72 G N -1.312 107.552 108.800 0.107 0.000 2.159 72 G HA2 -0.362 3.599 3.960 0.001 0.000 0.256 72 G HA3 -0.362 3.599 3.960 0.001 0.000 0.256 72 G C 0.104 175.117 174.900 0.187 0.000 0.977 72 G CA 0.611 45.793 45.100 0.135 0.000 0.652 72 G HN 0.584 nan 8.290 nan 0.000 0.531 73 R N -1.080 119.525 120.500 0.175 0.000 2.787 73 R HA 0.546 4.887 4.340 0.001 0.000 0.271 73 R C -0.200 176.163 176.300 0.105 0.000 0.993 73 R CA -0.990 55.238 56.100 0.213 0.000 0.993 73 R CB 1.166 31.566 30.300 0.166 0.000 1.155 73 R HN 0.186 nan 8.270 nan 0.000 0.486 74 Y N 2.786 122.946 120.300 -0.233 0.000 2.411 74 Y HA 0.123 4.673 4.550 0.001 0.000 0.333 74 Y C 0.770 176.418 175.900 -0.420 0.000 1.186 74 Y CA 0.390 58.171 58.100 -0.532 0.000 1.381 74 Y CB 0.102 37.633 38.460 -1.547 0.000 1.273 74 Y HN 0.676 nan 8.280 nan 0.000 0.546 75 L N 2.494 123.185 121.223 -0.886 0.000 7.357 75 L HA -0.270 4.071 4.340 0.001 0.000 0.053 75 L C 0.545 177.289 176.870 -0.210 0.000 1.534 75 L CA 1.215 55.686 54.840 -0.615 0.000 1.544 75 L CB -1.752 39.897 42.059 -0.684 0.000 2.835 75 L HN 0.994 nan 8.230 nan 0.000 1.139 76 G N -1.643 107.106 108.800 -0.086 0.000 2.721 76 G HA2 0.699 4.660 3.960 0.001 0.000 0.296 76 G HA3 0.699 4.660 3.960 0.001 0.000 0.296 76 G C -3.105 171.888 174.900 0.156 0.000 1.383 76 G CA -0.298 44.870 45.100 0.113 0.000 0.788 76 G HN 0.434 nan 8.290 nan 0.000 0.500 77 P HA 0.293 nan 4.420 nan 0.000 0.277 77 P C -0.286 177.112 177.300 0.164 0.000 1.240 77 P CA 0.032 63.215 63.100 0.139 0.000 0.798 77 P CB 1.026 32.768 31.700 0.071 0.000 0.979 78 T N 2.964 117.571 114.554 0.089 0.000 2.761 78 T HA 0.315 4.666 4.350 0.001 0.000 0.296 78 T C 0.668 175.277 174.700 -0.152 0.000 0.934 78 T CA 0.076 62.197 62.100 0.035 0.000 1.091 78 T CB -0.304 68.567 68.868 0.005 0.000 0.896 78 T HN 0.209 nan 8.240 nan 0.000 0.515 79 I N 3.247 123.705 120.570 -0.187 0.000 2.396 79 I HA 0.438 4.609 4.170 0.001 0.000 0.292 79 I C 0.574 176.342 176.117 -0.582 0.000 0.999 79 I CA -0.437 60.569 61.300 -0.491 0.000 1.310 79 I CB 1.057 38.540 38.000 -0.861 0.000 1.404 79 I HN 0.384 nan 8.210 nan 0.000 0.496 80 R N 6.085 126.261 120.500 -0.540 0.000 2.451 80 R HA 0.683 5.024 4.340 0.001 0.000 0.307 80 R C -1.353 174.688 176.300 -0.433 0.000 0.965 80 R CA -0.544 55.267 56.100 -0.481 0.000 0.865 80 R CB 1.393 31.473 30.300 -0.366 0.000 1.174 80 R HN 0.527 nan 8.270 nan 0.000 0.455 81 V N 0.480 120.117 119.914 -0.461 0.000 3.126 81 V HA 0.799 4.920 4.120 0.001 0.000 0.314 81 V C -1.390 174.534 176.094 -0.284 0.000 1.138 81 V CA -1.111 61.044 62.300 -0.241 0.000 1.034 81 V CB 1.775 33.500 31.823 -0.162 0.000 1.075 81 V HN 0.740 nan 8.190 nan 0.000 0.442 82 W N 0.154 121.426 121.300 -0.047 0.000 2.819 82 W HA 0.638 5.299 4.660 0.001 0.000 0.337 82 W C 0.073 176.595 176.519 0.005 0.000 1.077 82 W CA -0.652 56.683 57.345 -0.016 0.000 1.226 82 W CB 1.824 31.270 29.460 -0.025 0.000 1.419 82 W HN 0.744 nan 8.180 nan 0.000 0.502 83 K N 1.252 121.800 120.400 0.247 0.000 2.511 83 K HA 0.274 4.595 4.320 0.001 0.000 0.280 83 K C 1.131 177.822 176.600 0.151 0.000 1.008 83 K CA 1.864 58.247 56.287 0.159 0.000 1.050 83 K CB 0.077 32.661 32.500 0.140 0.000 0.889 83 K HN 0.859 nan 8.250 nan 0.000 0.484 84 G N 2.749 111.608 108.800 0.098 0.000 2.176 84 G HA2 -0.216 3.745 3.960 0.001 0.000 0.253 84 G HA3 -0.216 3.745 3.960 0.001 0.000 0.253 84 G C -0.180 174.757 174.900 0.062 0.000 0.979 84 G CA 0.213 45.355 45.100 0.069 0.000 0.641 84 G HN 0.699 nan 8.290 nan 0.000 0.530 85 D N 0.639 121.091 120.400 0.088 0.000 2.358 85 D HA 0.520 5.161 4.640 0.001 0.000 0.244 85 D C 0.011 176.335 176.300 0.040 0.000 1.163 85 D CA -0.121 53.920 54.000 0.068 0.000 0.945 85 D CB 0.642 41.504 40.800 0.103 0.000 1.152 85 D HN 0.097 nan 8.370 nan 0.000 0.451 86 D N 0.792 121.200 120.400 0.014 0.000 2.772 86 D HA 0.100 4.741 4.640 0.001 0.000 0.326 86 D C -0.546 175.736 176.300 -0.030 0.000 1.207 86 D CA -0.330 53.666 54.000 -0.005 0.000 0.777 86 D CB 0.978 41.770 40.800 -0.014 0.000 1.169 86 D HN 0.002 nan 8.370 nan 0.000 0.506 87 V N 1.581 121.481 119.914 -0.024 0.000 2.673 87 V HA -0.034 4.087 4.120 0.001 0.000 0.303 87 V C 0.156 176.181 176.094 -0.114 0.000 1.046 87 V CA 0.395 62.656 62.300 -0.065 0.000 1.126 87 V CB 1.047 32.833 31.823 -0.061 0.000 0.934 87 V HN 0.175 nan 8.190 nan 0.000 0.487 88 K N 6.084 126.386 120.400 -0.164 0.000 2.292 88 K HA 0.504 4.825 4.320 0.001 0.000 0.270 88 K C -1.228 175.182 176.600 -0.317 0.000 1.062 88 K CA -0.281 55.870 56.287 -0.226 0.000 0.916 88 K CB 0.999 33.372 32.500 -0.212 0.000 1.166 88 K HN 0.592 nan 8.250 nan 0.000 0.458 89 L N 5.837 126.837 121.223 -0.371 0.000 2.309 89 L HA 0.540 4.881 4.340 0.001 0.000 0.282 89 L C -0.838 175.695 176.870 -0.561 0.000 1.036 89 L CA -0.335 54.205 54.840 -0.500 0.000 0.806 89 L CB 1.216 42.961 42.059 -0.524 0.000 1.220 89 L HN 0.699 nan 8.230 nan 0.000 0.429 90 I N 5.158 125.369 120.570 -0.598 0.000 2.502 90 I HA 0.229 4.400 4.170 0.001 0.000 0.276 90 I C -0.996 174.942 176.117 -0.299 0.000 1.057 90 I CA -0.517 60.514 61.300 -0.447 0.000 1.163 90 I CB 0.425 38.096 38.000 -0.549 0.000 1.288 90 I HN 0.470 nan 8.210 nan 0.000 0.479 91 Y N 3.403 123.644 120.300 -0.098 0.000 2.309 91 Y HA 0.297 4.848 4.550 0.001 0.000 0.327 91 Y C 0.891 176.827 175.900 0.060 0.000 1.172 91 Y CA 0.178 58.288 58.100 0.017 0.000 1.280 91 Y CB 1.500 40.034 38.460 0.122 0.000 1.234 91 Y HN 0.418 nan 8.280 nan 0.000 0.512 92 S N 3.292 119.136 115.700 0.240 0.000 2.779 92 S HA 0.206 4.677 4.470 0.001 0.000 0.293 92 S C -1.286 173.376 174.600 0.103 0.000 1.150 92 S CA -0.937 57.355 58.200 0.153 0.000 1.057 92 S CB 0.222 63.499 63.200 0.128 0.000 1.021 92 S HN 0.676 nan 8.310 nan 0.000 0.485 93 N N 3.547 122.287 118.700 0.067 0.000 2.399 93 N HA 0.227 4.968 4.740 0.001 0.000 0.259 93 N C 0.271 175.768 175.510 -0.022 0.000 1.160 93 N CA -0.050 52.999 53.050 -0.001 0.000 0.946 93 N CB 0.261 38.737 38.487 -0.020 0.000 1.156 93 N HN 0.543 nan 8.380 nan 0.000 0.489 94 R N 3.419 123.889 120.500 -0.051 0.000 2.696 94 R HA 0.287 4.627 4.340 0.001 0.000 0.355 94 R C -0.317 175.918 176.300 -0.108 0.000 1.138 94 R CA -0.227 55.843 56.100 -0.051 0.000 1.059 94 R CB 0.167 30.453 30.300 -0.024 0.000 1.380 94 R HN 0.482 nan 8.270 nan 0.000 0.578 95 L N -0.392 120.732 121.223 -0.165 0.000 2.335 95 L HA 0.342 4.683 4.340 0.001 0.000 0.268 95 L C 1.445 178.238 176.870 -0.129 0.000 1.016 95 L CA -0.413 54.279 54.840 -0.248 0.000 0.805 95 L CB 1.828 43.577 42.059 -0.517 0.000 1.311 95 L HN 0.032 nan 8.230 nan 0.000 0.456 96 T N -3.436 111.069 114.554 -0.081 0.000 3.235 96 T HA 0.322 4.673 4.350 0.001 0.000 0.251 96 T C 0.149 174.858 174.700 0.015 0.000 1.060 96 T CA -0.140 61.959 62.100 -0.002 0.000 0.949 96 T CB -0.144 68.755 68.868 0.050 0.000 1.020 96 T HN 0.503 nan 8.240 nan 0.000 0.564 97 E N 0.496 120.681 120.200 -0.025 0.000 2.429 97 E HA 0.449 4.800 4.350 0.001 0.000 0.276 97 E C -1.018 175.562 176.600 -0.033 0.000 0.953 97 E CA -1.042 55.362 56.400 0.007 0.000 0.787 97 E CB 1.139 30.890 29.700 0.086 0.000 1.307 97 E HN 0.002 nan 8.360 nan 0.000 0.458 98 N N 0.122 118.814 118.700 -0.014 0.000 2.508 98 N HA 0.311 5.052 4.740 0.001 0.000 0.264 98 N C -1.247 174.232 175.510 -0.052 0.000 1.216 98 N CA 0.150 53.180 53.050 -0.033 0.000 0.943 98 N CB 1.011 39.484 38.487 -0.023 0.000 1.113 98 N HN 0.094 nan 8.380 nan 0.000 0.447 99 V N 0.558 120.426 119.914 -0.077 0.000 2.808 99 V HA 0.449 4.570 4.120 0.001 0.000 0.308 99 V C -0.708 175.305 176.094 -0.134 0.000 1.099 99 V CA -0.866 61.375 62.300 -0.099 0.000 0.920 99 V CB 1.951 33.703 31.823 -0.119 0.000 1.014 99 V HN 0.803 nan 8.190 nan 0.000 0.425 100 S N 5.469 121.074 115.700 -0.158 0.000 2.561 100 S HA 0.851 5.322 4.470 0.001 0.000 0.303 100 S C -0.905 173.546 174.600 -0.248 0.000 1.110 100 S CA -0.840 57.229 58.200 -0.220 0.000 1.034 100 S CB 1.742 64.816 63.200 -0.210 0.000 1.010 100 S HN 0.464 nan 8.310 nan 0.000 0.482 101 M N 2.494 121.905 119.600 -0.315 0.000 2.508 101 M HA 0.631 5.112 4.480 0.001 0.000 0.327 101 M C -0.076 176.058 176.300 -0.277 0.000 1.160 101 M CA -0.313 54.777 55.300 -0.349 0.000 0.980 101 M CB 1.722 33.966 32.600 -0.594 0.000 1.693 101 M HN 0.899 nan 8.290 nan 0.000 0.452 102 T N 0.770 115.114 114.554 -0.350 0.000 2.864 102 T HA 0.662 5.013 4.350 0.001 0.000 0.299 102 T C -1.559 172.889 174.700 -0.420 0.000 1.166 102 T CA -0.416 61.489 62.100 -0.324 0.000 1.007 102 T CB 1.758 70.415 68.868 -0.351 0.000 1.219 102 T HN 0.383 nan 8.240 nan 0.000 0.506 103 V N 3.144 122.835 119.914 -0.371 0.000 2.275 103 V HA 0.624 4.744 4.120 0.001 0.000 0.272 103 V C 0.643 176.506 176.094 -0.386 0.000 1.028 103 V CA -0.962 61.054 62.300 -0.473 0.000 0.810 103 V CB 0.618 31.944 31.823 -0.829 0.000 1.043 103 V HN 1.106 nan 8.190 nan 0.000 0.453 104 A N 3.839 126.410 122.820 -0.416 0.000 2.537 104 A HA 0.501 4.822 4.320 0.001 0.000 0.260 104 A C 1.532 179.127 177.584 0.019 0.000 1.082 104 A CA 0.926 52.844 52.037 -0.198 0.000 0.765 104 A CB -0.502 18.325 19.000 -0.289 0.000 1.019 104 A HN 2.049 nan 8.150 nan 0.000 0.507 105 G N 1.122 109.968 108.800 0.076 0.000 2.176 105 G HA2 -0.130 3.831 3.960 0.001 0.000 0.232 105 G HA3 -0.130 3.831 3.960 0.001 0.000 0.232 105 G C 0.085 174.922 174.900 -0.104 0.000 0.986 105 G CA 0.120 45.230 45.100 0.016 0.000 0.643 105 G HN 1.263 nan 8.290 nan 0.000 0.522 106 L N 1.636 122.755 121.223 -0.173 0.000 2.410 106 L HA 0.466 4.807 4.340 0.001 0.000 0.273 106 L C 0.393 177.169 176.870 -0.156 0.000 1.152 106 L CA -0.055 54.660 54.840 -0.208 0.000 0.855 106 L CB 0.757 42.624 42.059 -0.319 0.000 1.129 106 L HN 0.240 nan 8.230 nan 0.000 0.463 107 Q N 6.026 125.754 119.800 -0.120 0.000 2.655 107 Q HA 0.426 4.767 4.340 0.001 0.000 0.228 107 Q C -0.690 175.290 176.000 -0.034 0.000 1.186 107 Q CA -0.177 55.562 55.803 -0.107 0.000 1.004 107 Q CB 0.846 29.518 28.738 -0.110 0.000 1.242 107 Q HN 0.536 nan 8.270 nan 0.000 0.558 108 V N -1.227 118.696 119.914 0.016 0.000 3.182 108 V HA 0.737 4.858 4.120 0.001 0.000 0.308 108 V C -2.881 173.367 176.094 0.257 0.000 1.240 108 V CA -2.997 59.362 62.300 0.100 0.000 1.063 108 V CB 1.812 33.680 31.823 0.075 0.000 1.076 108 V HN 0.174 nan 8.190 nan 0.000 0.446 109 P HA 0.268 nan 4.420 nan 0.000 0.272 109 P C 1.039 178.522 177.300 0.306 0.000 1.240 109 P CA 0.701 64.000 63.100 0.332 0.000 0.791 109 P CB 0.802 32.675 31.700 0.288 0.000 0.978 110 G N 2.008 110.822 108.800 0.024 0.000 2.469 110 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 110 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 110 G C -1.058 173.887 174.900 0.075 0.000 1.150 110 G CA 0.922 45.949 45.100 -0.121 0.000 0.763 110 G HN 0.474 nan 8.290 nan 0.000 0.561 111 P HA 0.050 nan 4.420 nan 0.000 0.228 111 P C 1.299 178.566 177.300 -0.056 0.000 1.151 111 P CA 0.747 63.612 63.100 -0.391 0.000 0.770 111 P CB -0.002 31.225 31.700 -0.788 0.000 0.786 112 L N -3.179 118.110 121.223 0.112 0.000 2.766 112 L HA 0.162 4.503 4.340 0.001 0.000 0.242 112 L C 1.959 179.028 176.870 0.331 0.000 1.136 112 L CA -0.161 54.828 54.840 0.248 0.000 0.933 112 L CB -0.396 41.739 42.059 0.127 0.000 1.241 112 L HN -0.081 nan 8.230 nan 0.000 0.522 113 M N 0.361 120.129 119.600 0.280 0.000 2.084 113 M HA -0.101 4.380 4.480 0.001 0.000 0.259 113 M C 2.004 178.440 176.300 0.227 0.000 1.072 113 M CA 2.359 57.797 55.300 0.231 0.000 1.107 113 M CB -1.205 31.554 32.600 0.264 0.000 1.299 113 M HN 0.311 nan 8.290 nan 0.000 0.413 114 G N -2.688 106.193 108.800 0.136 0.000 2.907 114 G HA2 0.451 4.412 3.960 0.001 0.000 0.200 114 G HA3 0.451 4.412 3.960 0.001 0.000 0.200 114 G C 0.726 175.659 174.900 0.056 0.000 1.101 114 G CA 0.805 45.943 45.100 0.063 0.000 0.806 114 G HN 0.771 nan 8.290 nan 0.000 0.640 115 G N 0.429 109.160 108.800 -0.114 0.000 2.443 115 G HA2 -0.103 3.858 3.960 0.001 0.000 0.209 115 G HA3 -0.103 3.858 3.960 0.001 0.000 0.209 115 G C -1.706 173.106 174.900 -0.146 0.000 1.176 115 G CA 0.215 45.248 45.100 -0.111 0.000 1.074 115 G HN 0.214 nan 8.290 nan 0.000 0.577 116 P HA 0.034 nan 4.420 nan 0.000 0.220 116 P C 1.862 179.123 177.300 -0.064 0.000 1.148 116 P CA 2.724 65.786 63.100 -0.063 0.000 0.803 116 P CB -0.306 31.413 31.700 0.031 0.000 0.782 117 A N 0.127 122.920 122.820 -0.045 0.000 2.015 117 A HA -0.077 4.243 4.320 0.001 0.000 0.219 117 A C 1.807 179.343 177.584 -0.081 0.000 1.163 117 A CA 1.064 53.029 52.037 -0.120 0.000 0.646 117 A CB -0.463 18.422 19.000 -0.192 0.000 0.806 117 A HN 0.016 nan 8.150 nan 0.000 0.448 118 R N -0.981 119.380 120.500 -0.233 0.000 2.767 118 R HA 0.314 4.655 4.340 0.001 0.000 0.377 118 R C -0.220 175.777 176.300 -0.505 0.000 1.151 118 R CA -0.273 55.498 56.100 -0.549 0.000 1.046 118 R CB -0.640 28.906 30.300 -1.258 0.000 1.404 118 R HN 0.581 nan 8.270 nan 0.000 0.580 119 M N 1.017 120.453 119.600 -0.273 0.000 2.249 119 M HA 0.152 4.633 4.480 0.001 0.000 0.340 119 M C -0.265 175.942 176.300 -0.156 0.000 1.166 119 M CA 0.880 56.061 55.300 -0.199 0.000 1.115 119 M CB 0.539 33.066 32.600 -0.122 0.000 1.606 119 M HN 0.023 nan 8.290 nan 0.000 0.448 120 M N 3.538 123.067 119.600 -0.119 0.000 2.227 120 M HA 0.317 4.798 4.480 0.001 0.000 0.335 120 M C -0.318 175.955 176.300 -0.045 0.000 1.053 120 M CA -0.600 54.666 55.300 -0.057 0.000 0.973 120 M CB 1.868 34.456 32.600 -0.020 0.000 1.623 120 M HN 0.742 nan 8.290 nan 0.000 0.434 121 S N 3.041 118.725 115.700 -0.026 0.000 2.669 121 S HA 0.576 5.047 4.470 0.001 0.000 0.270 121 S C -2.683 171.907 174.600 -0.017 0.000 1.225 121 S CA -1.587 56.601 58.200 -0.021 0.000 0.991 121 S CB 0.109 63.302 63.200 -0.012 0.000 0.987 121 S HN 0.373 nan 8.310 nan 0.000 0.552 122 P HA 0.144 nan 4.420 nan 0.000 0.261 122 P C 0.210 177.507 177.300 -0.006 0.000 1.183 122 P CA 0.827 63.914 63.100 -0.022 0.000 0.761 122 P CB -0.047 31.643 31.700 -0.016 0.000 0.785 123 N N -0.336 118.362 118.700 -0.003 0.000 2.948 123 N HA -0.173 4.568 4.740 0.001 0.000 0.239 123 N C -0.128 175.398 175.510 0.026 0.000 0.954 123 N CA 1.359 54.416 53.050 0.012 0.000 0.941 123 N CB -1.409 37.085 38.487 0.012 0.000 1.101 123 N HN 0.518 nan 8.380 nan 0.000 0.579 124 A N 0.295 123.132 122.820 0.028 0.000 2.269 124 A HA 0.625 4.946 4.320 0.001 0.000 0.319 124 A C -0.137 177.494 177.584 0.079 0.000 1.110 124 A CA 0.116 52.181 52.037 0.046 0.000 0.847 124 A CB 0.804 19.824 19.000 0.033 0.000 1.161 124 A HN 0.307 nan 8.150 nan 0.000 0.497 125 D N -1.512 118.955 120.400 0.111 0.000 2.645 125 D HA 0.503 5.144 4.640 0.001 0.000 0.228 125 D C -1.314 175.141 176.300 0.260 0.000 1.148 125 D CA -0.249 53.852 54.000 0.167 0.000 0.860 125 D CB 0.863 41.741 40.800 0.129 0.000 1.548 125 D HN 0.577 nan 8.370 nan 0.000 0.460 126 W N 1.331 122.678 121.300 0.078 0.000 2.619 126 W HA 0.684 5.345 4.660 0.001 0.000 0.327 126 W C -1.553 175.010 176.519 0.073 0.000 1.027 126 W CA -1.346 56.044 57.345 0.075 0.000 1.233 126 W CB 1.798 31.312 29.460 0.090 0.000 1.370 126 W HN 0.635 nan 8.180 nan 0.000 0.453 127 A N 8.824 131.529 122.820 -0.191 0.000 2.938 127 A HA 0.532 4.852 4.320 0.001 0.000 0.344 127 A C -2.532 174.771 177.584 -0.468 0.000 1.142 127 A CA -1.187 50.640 52.037 -0.350 0.000 0.841 127 A CB -0.109 18.778 19.000 -0.188 0.000 1.083 127 A HN 0.348 nan 8.150 nan 0.000 0.479 128 P HA 0.416 nan 4.420 nan 0.000 0.278 128 P C -0.531 176.552 177.300 -0.363 0.000 1.258 128 P CA -0.338 62.410 63.100 -0.586 0.000 0.811 128 P CB 1.710 32.861 31.700 -0.915 0.000 1.063 129 V N 2.400 122.181 119.914 -0.222 0.000 2.325 129 V HA 0.232 4.353 4.120 0.001 0.000 0.280 129 V C 0.279 176.313 176.094 -0.099 0.000 1.016 129 V CA -0.511 61.697 62.300 -0.152 0.000 0.818 129 V CB 0.683 32.438 31.823 -0.113 0.000 1.019 129 V HN 0.320 nan 8.190 nan 0.000 0.434 130 L N 7.326 128.501 121.223 -0.081 0.000 2.290 130 L HA 0.485 4.826 4.340 0.001 0.000 0.284 130 L C -2.293 174.581 176.870 0.008 0.000 1.078 130 L CA -1.573 53.254 54.840 -0.021 0.000 0.815 130 L CB 1.307 43.376 42.059 0.017 0.000 1.162 130 L HN 0.359 nan 8.230 nan 0.000 0.435 131 P HA 0.264 nan 4.420 nan 0.000 0.298 131 P C -0.707 176.619 177.300 0.042 0.000 1.365 131 P CA -0.435 62.680 63.100 0.025 0.000 0.835 131 P CB 0.984 32.696 31.700 0.020 0.000 0.948 132 I N 5.379 125.984 120.570 0.059 0.000 2.396 132 I HA 0.217 4.388 4.170 0.001 0.000 0.289 132 I C 1.331 177.483 176.117 0.057 0.000 1.056 132 I CA 0.079 61.424 61.300 0.074 0.000 1.365 132 I CB -0.056 38.008 38.000 0.107 0.000 1.407 132 I HN 0.299 nan 8.210 nan 0.000 0.509 133 R N 5.747 126.270 120.500 0.039 0.000 2.599 133 R HA 0.185 4.526 4.340 0.001 0.000 0.451 133 R C -0.099 176.206 176.300 0.008 0.000 0.988 133 R CA -0.302 55.815 56.100 0.028 0.000 1.085 133 R CB 0.753 31.066 30.300 0.022 0.000 1.452 133 R HN 0.757 nan 8.270 nan 0.000 0.596 134 Q N -0.245 119.559 119.800 0.007 0.000 2.416 134 Q HA 0.459 4.800 4.340 0.001 0.000 0.279 134 Q C -0.761 175.235 176.000 -0.005 0.000 1.101 134 Q CA -1.004 54.783 55.803 -0.025 0.000 0.830 134 Q CB 1.237 29.942 28.738 -0.055 0.000 1.402 134 Q HN -0.210 nan 8.270 nan 0.000 0.445 135 N N 0.341 119.026 118.700 -0.025 0.000 2.453 135 N HA 0.234 4.975 4.740 0.001 0.000 0.253 135 N C -0.496 175.012 175.510 -0.004 0.000 1.252 135 N CA 0.269 53.326 53.050 0.012 0.000 0.917 135 N CB 0.662 39.163 38.487 0.023 0.000 1.117 135 N HN 0.761 nan 8.380 nan 0.000 0.442 136 A N 0.379 123.209 122.820 0.018 0.000 2.587 136 A HA 0.435 4.756 4.320 0.001 0.000 0.235 136 A C 0.278 177.759 177.584 -0.173 0.000 1.044 136 A CA 0.554 52.557 52.037 -0.058 0.000 0.754 136 A CB -0.438 18.571 19.000 0.016 0.000 0.968 136 A HN 0.813 nan 8.150 nan 0.000 0.509 137 A N 1.700 124.426 122.820 -0.157 0.000 2.586 137 A HA 0.688 5.009 4.320 0.001 0.000 0.291 137 A C -0.333 177.213 177.584 -0.063 0.000 1.062 137 A CA -0.312 51.633 52.037 -0.154 0.000 0.666 137 A CB 0.553 19.503 19.000 -0.082 0.000 1.281 137 A HN 0.983 nan 8.150 nan 0.000 0.421 138 T N 2.154 116.685 114.554 -0.037 0.000 2.910 138 T HA 0.509 4.860 4.350 0.001 0.000 0.323 138 T C -0.129 174.649 174.700 0.130 0.000 1.091 138 T CA -0.033 62.095 62.100 0.047 0.000 0.960 138 T CB -0.446 68.432 68.868 0.017 0.000 1.024 138 T HN 0.393 nan 8.240 nan 0.000 0.509 139 L N 2.567 123.931 121.223 0.235 0.000 2.751 139 L HA 0.771 5.112 4.340 0.001 0.000 0.241 139 L C -0.116 177.056 176.870 0.503 0.000 1.146 139 L CA -0.943 54.082 54.840 0.309 0.000 0.879 139 L CB 0.249 42.410 42.059 0.170 0.000 1.687 139 L HN 0.705 nan 8.230 nan 0.000 0.527 140 W N -0.036 121.353 121.300 0.148 0.000 3.464 140 W HA 0.421 5.082 4.660 0.002 0.000 0.292 140 W C -2.124 174.510 176.519 0.190 0.000 1.262 140 W CA -1.641 55.817 57.345 0.188 0.000 1.202 140 W CB -0.102 29.403 29.460 0.075 0.000 1.334 140 W HN 0.538 nan 8.180 nan 0.000 0.561 141 Y N 0.947 121.265 120.300 0.031 0.000 2.528 141 Y HA 0.850 5.401 4.550 0.001 0.000 0.335 141 Y C -0.378 175.363 175.900 -0.265 0.000 1.093 141 Y CA -0.935 57.019 58.100 -0.244 0.000 1.134 141 Y CB 1.677 40.145 38.460 0.014 0.000 1.253 141 Y HN 0.723 nan 8.280 nan 0.000 0.478 142 H N -0.480 118.380 119.070 -0.351 0.000 2.969 142 H HA 0.700 5.257 4.556 0.001 0.000 0.304 142 H C -1.727 173.460 175.328 -0.235 0.000 1.400 142 H CA -1.080 54.753 56.048 -0.359 0.000 1.182 142 H CB 0.546 29.924 29.762 -0.641 0.000 1.865 142 H HN 1.015 nan 8.280 nan 0.000 0.512 143 A N 1.260 124.057 122.820 -0.038 0.000 2.440 143 A HA 0.304 4.625 4.320 0.001 0.000 0.251 143 A C 0.316 177.882 177.584 -0.030 0.000 1.089 143 A CA -0.011 51.984 52.037 -0.071 0.000 0.779 143 A CB -0.251 18.748 19.000 -0.001 0.000 1.022 143 A HN 0.895 nan 8.150 nan 0.000 0.492 144 N N 0.806 119.421 118.700 -0.142 0.000 2.305 144 N HA 0.046 4.787 4.740 0.001 0.000 0.248 144 N C -0.524 174.866 175.510 -0.200 0.000 1.290 144 N CA -0.101 52.858 53.050 -0.151 0.000 0.873 144 N CB -0.542 37.811 38.487 -0.223 0.000 1.261 144 N HN 0.320 nan 8.380 nan 0.000 0.504 145 T N 2.968 117.433 114.554 -0.148 0.000 2.891 145 T HA 0.075 4.426 4.350 0.001 0.000 0.296 145 T C -2.522 172.091 174.700 -0.146 0.000 1.025 145 T CA -0.104 61.917 62.100 -0.133 0.000 1.149 145 T CB 0.397 69.220 68.868 -0.074 0.000 1.007 145 T HN 0.192 nan 8.240 nan 0.000 0.528 146 P HA 0.082 nan 4.420 nan 0.000 0.265 146 P C 0.660 177.930 177.300 -0.050 0.000 1.193 146 P CA 0.086 63.092 63.100 -0.156 0.000 0.765 146 P CB 0.291 31.974 31.700 -0.028 0.000 0.823 147 N N 1.406 120.079 118.700 -0.045 0.000 2.946 147 N HA -0.230 4.511 4.740 0.001 0.000 0.223 147 N C 0.452 175.958 175.510 -0.006 0.000 0.850 147 N CA 1.500 54.552 53.050 0.003 0.000 1.057 147 N CB -1.109 37.402 38.487 0.041 0.000 1.020 147 N HN 0.571 nan 8.380 nan 0.000 0.616 148 R N -0.197 120.289 120.500 -0.024 0.000 2.565 148 R HA 0.279 4.620 4.340 0.001 0.000 0.347 148 R C 1.164 177.442 176.300 -0.037 0.000 1.010 148 R CA 0.358 56.448 56.100 -0.016 0.000 1.126 148 R CB 0.328 30.637 30.300 0.015 0.000 1.331 148 R HN 0.111 nan 8.270 nan 0.000 0.552 149 T N 1.168 115.685 114.554 -0.061 0.000 2.652 149 T HA -0.203 4.148 4.350 0.001 0.000 0.267 149 T C 2.096 176.757 174.700 -0.066 0.000 1.039 149 T CA 1.814 63.877 62.100 -0.061 0.000 1.153 149 T CB -0.154 68.661 68.868 -0.087 0.000 0.863 149 T HN 0.380 nan 8.240 nan 0.000 0.428 150 A N 1.299 124.069 122.820 -0.084 0.000 1.873 150 A HA -0.245 4.076 4.320 0.001 0.000 0.218 150 A C 2.288 179.686 177.584 -0.311 0.000 1.193 150 A CA 2.319 54.275 52.037 -0.134 0.000 0.629 150 A CB -0.904 18.053 19.000 -0.072 0.000 0.826 150 A HN 0.497 nan 8.150 nan 0.000 0.447 151 Q N -0.437 119.138 119.800 -0.375 0.000 2.079 151 Q HA -0.170 4.171 4.340 0.001 0.000 0.200 151 Q C 2.149 178.009 176.000 -0.233 0.000 0.974 151 Q CA 2.120 57.620 55.803 -0.505 0.000 0.840 151 Q CB -0.354 28.167 28.738 -0.362 0.000 0.898 151 Q HN 0.761 nan 8.270 nan 0.000 0.430 152 Q N -0.873 118.894 119.800 -0.055 0.000 2.079 152 Q HA -0.104 4.237 4.340 0.001 0.000 0.200 152 Q C 2.120 178.188 176.000 0.114 0.000 0.974 152 Q CA 1.622 57.507 55.803 0.137 0.000 0.840 152 Q CB 0.075 28.917 28.738 0.174 0.000 0.898 152 Q HN 0.286 nan 8.270 nan 0.000 0.430 153 V N -0.078 119.858 119.914 0.036 0.000 2.379 153 V HA -0.240 3.881 4.120 0.001 0.000 0.245 153 V C 1.859 177.975 176.094 0.036 0.000 1.044 153 V CA 1.570 63.897 62.300 0.044 0.000 1.036 153 V CB -0.578 31.264 31.823 0.031 0.000 0.664 153 V HN 0.362 nan 8.190 nan 0.000 0.453 154 Y N 1.421 121.622 120.300 -0.165 0.000 2.403 154 Y HA -0.152 4.399 4.550 0.001 0.000 0.291 154 Y C 2.211 178.030 175.900 -0.136 0.000 1.143 154 Y CA 1.361 59.337 58.100 -0.206 0.000 1.257 154 Y CB -0.151 38.019 38.460 -0.483 0.000 0.984 154 Y HN 0.289 nan 8.280 nan 0.000 0.550 155 N N -0.090 118.561 118.700 -0.081 0.000 2.494 155 N HA 0.061 4.802 4.740 0.001 0.000 0.182 155 N C 1.293 176.873 175.510 0.117 0.000 1.076 155 N CA 1.255 54.220 53.050 -0.142 0.000 0.908 155 N CB 0.217 38.438 38.487 -0.444 0.000 0.967 155 N HN 0.489 nan 8.380 nan 0.000 0.449 156 G N -0.649 108.213 108.800 0.103 0.000 2.183 156 G HA2 -0.163 3.798 3.960 0.001 0.000 0.168 156 G HA3 -0.163 3.798 3.960 0.001 0.000 0.168 156 G C -0.186 174.664 174.900 -0.083 0.000 1.008 156 G CA -0.530 44.527 45.100 -0.072 0.000 0.677 156 G HN 0.203 nan 8.290 nan 0.000 0.498 157 L N 1.320 122.583 121.223 0.067 0.000 2.399 157 L HA 0.617 4.957 4.340 0.001 0.000 0.257 157 L C 0.642 177.510 176.870 -0.004 0.000 1.236 157 L CA 0.581 55.465 54.840 0.072 0.000 1.144 157 L CB -0.017 42.132 42.059 0.151 0.000 1.379 157 L HN 0.593 nan 8.230 nan 0.000 0.414 158 A N 1.430 124.181 122.820 -0.115 0.000 2.583 158 A HA 0.843 5.164 4.320 0.001 0.000 0.292 158 A C -0.638 176.670 177.584 -0.460 0.000 1.045 158 A CA 0.036 51.933 52.037 -0.234 0.000 0.672 158 A CB 1.413 20.429 19.000 0.027 0.000 1.283 158 A HN 0.498 nan 8.150 nan 0.000 0.419 159 G N -0.529 107.769 108.800 -0.837 0.000 2.550 159 G HA2 0.619 4.580 3.960 0.001 0.000 0.293 159 G HA3 0.619 4.580 3.960 0.001 0.000 0.293 159 G C -1.065 173.697 174.900 -0.228 0.000 1.402 159 G CA -0.201 44.537 45.100 -0.603 0.000 0.784 159 G HN 1.119 nan 8.290 nan 0.000 0.482 160 M N 0.709 120.417 119.600 0.179 0.000 2.274 160 M HA 0.645 5.126 4.480 0.001 0.000 0.344 160 M C -1.203 175.419 176.300 0.537 0.000 1.161 160 M CA -0.758 54.745 55.300 0.338 0.000 1.126 160 M CB 1.418 34.156 32.600 0.230 0.000 1.522 160 M HN 0.595 nan 8.290 nan 0.000 0.461 161 W N 7.177 128.638 121.300 0.269 0.000 2.830 161 W HA 0.493 5.154 4.660 0.001 0.000 0.335 161 W C -2.666 173.891 176.519 0.063 0.000 1.043 161 W CA -0.792 56.658 57.345 0.176 0.000 1.239 161 W CB 1.081 30.673 29.460 0.221 0.000 1.378 161 W HN 0.527 nan 8.180 nan 0.000 0.456 162 L N 6.268 127.467 121.223 -0.040 0.000 2.329 162 L HA 0.590 4.931 4.340 0.001 0.000 0.279 162 L C -0.151 176.635 176.870 -0.139 0.000 1.014 162 L CA -1.233 53.577 54.840 -0.050 0.000 0.814 162 L CB 1.733 43.711 42.059 -0.136 0.000 1.257 162 L HN -0.015 nan 8.230 nan 0.000 0.424 163 V N 2.407 122.286 119.914 -0.060 0.000 2.384 163 V HA 0.399 4.520 4.120 0.001 0.000 0.287 163 V C -0.104 175.841 176.094 -0.248 0.000 1.020 163 V CA -0.676 61.559 62.300 -0.107 0.000 0.850 163 V CB 1.492 33.334 31.823 0.032 0.000 0.987 163 V HN 0.663 nan 8.190 nan 0.000 0.436 164 E N 3.636 123.546 120.200 -0.483 0.000 2.221 164 E HA 0.660 5.011 4.350 0.001 0.000 0.268 164 E C -1.175 175.294 176.600 -0.218 0.000 0.933 164 E CA -0.522 55.488 56.400 -0.650 0.000 0.809 164 E CB 2.795 31.442 29.700 -1.754 0.000 1.190 164 E HN 0.944 nan 8.360 nan 0.000 0.406 165 D N -1.490 118.951 120.400 0.069 0.000 2.812 165 D HA 0.031 4.672 4.640 0.001 0.000 0.318 165 D C 0.740 177.266 176.300 0.377 0.000 1.234 165 D CA -0.637 53.555 54.000 0.321 0.000 0.989 165 D CB 0.313 41.228 40.800 0.192 0.000 1.442 165 D HN 0.413 nan 8.370 nan 0.000 0.537 166 E N -0.438 119.917 120.200 0.258 0.000 2.051 166 E HA -0.145 4.206 4.350 0.001 0.000 0.192 166 E C 1.718 178.404 176.600 0.143 0.000 0.991 166 E CA 1.359 57.868 56.400 0.181 0.000 0.799 166 E CB -0.039 29.724 29.700 0.104 0.000 0.748 166 E HN 0.265 nan 8.360 nan 0.000 0.449 167 V N 1.337 121.326 119.914 0.126 0.000 2.287 167 V HA -0.303 3.818 4.120 0.001 0.000 0.248 167 V C 2.584 178.710 176.094 0.054 0.000 1.053 167 V CA 2.175 64.516 62.300 0.069 0.000 1.027 167 V CB -0.636 31.232 31.823 0.075 0.000 0.646 167 V HN 0.528 nan 8.190 nan 0.000 0.447 168 S N -0.597 115.215 115.700 0.187 0.000 2.447 168 S HA -0.214 4.257 4.470 0.001 0.000 0.233 168 S C 1.907 176.601 174.600 0.157 0.000 1.006 168 S CA 1.579 59.923 58.200 0.241 0.000 0.957 168 S CB -0.313 63.114 63.200 0.377 0.000 0.773 168 S HN 0.656 nan 8.310 nan 0.000 0.507 169 K N 1.140 121.648 120.400 0.180 0.000 2.323 169 K HA 0.075 4.396 4.320 0.001 0.000 0.197 169 K C 2.204 178.863 176.600 0.098 0.000 1.043 169 K CA 0.925 57.326 56.287 0.191 0.000 0.997 169 K CB -0.074 32.612 32.500 0.310 0.000 0.807 169 K HN 0.508 nan 8.250 nan 0.000 0.497 170 S N 0.246 115.980 115.700 0.058 0.000 2.441 170 S HA 0.085 4.556 4.470 0.001 0.000 0.224 170 S C 0.944 175.530 174.600 -0.023 0.000 1.043 170 S CA -0.362 57.847 58.200 0.015 0.000 0.948 170 S CB -0.318 62.886 63.200 0.007 0.000 0.810 170 S HN 0.154 nan 8.310 nan 0.000 0.504 171 L N 2.920 124.106 121.223 -0.062 0.000 2.554 171 L HA 0.144 4.485 4.340 0.001 0.000 0.293 171 L C -1.827 174.997 176.870 -0.077 0.000 1.252 171 L CA -0.973 53.797 54.840 -0.116 0.000 0.862 171 L CB 0.025 41.946 42.059 -0.231 0.000 1.113 171 L HN 0.249 nan 8.230 nan 0.000 0.510 172 P HA 0.185 nan 4.420 nan 0.000 0.212 172 P C -0.808 176.439 177.300 -0.088 0.000 1.816 172 P CA 0.118 63.175 63.100 -0.071 0.000 0.944 172 P CB -0.523 31.128 31.700 -0.082 0.000 1.896 173 I N -3.197 117.339 120.570 -0.057 0.000 2.892 173 I HA 0.689 4.860 4.170 0.001 0.000 0.306 173 I C -2.928 173.212 176.117 0.038 0.000 1.078 173 I CA -3.732 57.545 61.300 -0.038 0.000 1.032 173 I CB 1.923 39.896 38.000 -0.045 0.000 1.229 173 I HN -0.317 nan 8.210 nan 0.000 0.435 174 P HA 0.107 nan 4.420 nan 0.000 0.261 174 P C -0.805 176.555 177.300 0.100 0.000 1.183 174 P CA 0.303 63.468 63.100 0.108 0.000 0.761 174 P CB 0.116 31.902 31.700 0.144 0.000 0.785 175 N N -0.523 118.240 118.700 0.106 0.000 2.142 175 N HA -0.013 4.728 4.740 0.001 0.000 0.233 175 N C -0.397 175.209 175.510 0.159 0.000 1.335 175 N CA -0.290 52.828 53.050 0.114 0.000 0.837 175 N CB -0.347 38.206 38.487 0.110 0.000 1.238 175 N HN 0.412 nan 8.380 nan 0.000 0.501 176 H N 0.736 119.811 119.070 0.009 0.000 2.821 176 H HA 0.090 4.647 4.556 0.001 0.000 0.262 176 H C -0.718 174.566 175.328 -0.073 0.000 1.402 176 H CA -1.037 55.010 56.048 -0.001 0.000 1.293 176 H CB 0.137 29.897 29.762 -0.004 0.000 1.533 176 H HN 0.208 nan 8.280 nan 0.000 0.528 177 Y N 3.782 124.048 120.300 -0.056 0.000 2.969 177 Y HA -0.102 4.449 4.550 0.001 0.000 0.339 177 Y C 1.480 177.142 175.900 -0.398 0.000 1.272 177 Y CA 2.182 60.150 58.100 -0.220 0.000 1.577 177 Y CB 0.204 38.613 38.460 -0.086 0.000 1.234 177 Y HN 0.988 nan 8.280 nan 0.000 0.590 178 G N 2.583 110.741 108.800 -1.071 0.000 2.234 178 G HA2 -0.316 3.645 3.960 0.001 0.000 0.260 178 G HA3 -0.316 3.645 3.960 0.001 0.000 0.260 178 G C 0.492 175.012 174.900 -0.633 0.000 0.987 178 G CA 0.637 45.283 45.100 -0.755 0.000 0.625 178 G HN 0.770 nan 8.290 nan 0.000 0.532 179 V N 0.529 119.950 119.914 -0.822 0.000 2.939 179 V HA 0.265 4.386 4.120 0.001 0.000 0.228 179 V C 1.721 177.657 176.094 -0.265 0.000 1.162 179 V CA 1.996 64.044 62.300 -0.420 0.000 1.222 179 V CB 0.106 31.636 31.823 -0.488 0.000 1.053 179 V HN 0.454 nan 8.190 nan 0.000 0.504 180 D N -1.602 118.598 120.400 -0.333 0.000 2.527 180 D HA 0.169 4.809 4.640 0.001 0.000 0.224 180 D C -0.237 175.980 176.300 -0.139 0.000 1.217 180 D CA 0.019 53.995 54.000 -0.040 0.000 0.819 180 D CB 0.329 41.184 40.800 0.091 0.000 1.061 180 D HN 0.365 nan 8.370 nan 0.000 0.515 181 D N 0.076 120.150 120.400 -0.544 0.000 2.505 181 D HA 0.347 4.987 4.640 0.001 0.000 0.250 181 D C -1.496 174.381 176.300 -0.706 0.000 1.164 181 D CA -0.437 53.360 54.000 -0.339 0.000 0.870 181 D CB 0.578 41.307 40.800 -0.119 0.000 1.160 181 D HN -0.121 nan 8.370 nan 0.000 0.549 182 F N 3.160 123.063 119.950 -0.078 0.000 2.561 182 F HA 0.575 5.103 4.527 0.001 0.000 0.321 182 F C -2.080 173.684 175.800 -0.060 0.000 1.065 182 F CA -2.135 55.776 58.000 -0.149 0.000 0.934 182 F CB 2.345 41.267 39.000 -0.131 0.000 1.215 182 F HN 0.071 nan 8.300 nan 0.000 0.471 183 P HA 0.346 nan 4.420 nan 0.000 0.301 183 P C -1.100 176.251 177.300 0.086 0.000 1.348 183 P CA -0.484 62.689 63.100 0.121 0.000 0.826 183 P CB 1.568 33.368 31.700 0.167 0.000 0.945 184 V N 5.503 125.447 119.914 0.049 0.000 2.257 184 V HA 0.290 4.410 4.120 0.001 0.000 0.269 184 V C 0.423 176.501 176.094 -0.026 0.000 1.040 184 V CA -0.321 61.982 62.300 0.006 0.000 0.813 184 V CB 0.229 32.045 31.823 -0.011 0.000 1.065 184 V HN 0.458 nan 8.190 nan 0.000 0.457 185 I N 5.554 126.113 120.570 -0.019 0.000 2.260 185 I HA 0.297 4.468 4.170 0.001 0.000 0.297 185 I C 0.212 176.300 176.117 -0.049 0.000 1.143 185 I CA 0.006 61.278 61.300 -0.047 0.000 1.271 185 I CB 0.224 38.204 38.000 -0.033 0.000 1.461 185 I HN 0.424 nan 8.210 nan 0.000 0.530 186 I N 6.038 126.554 120.570 -0.090 0.000 2.556 186 I HA 0.149 4.320 4.170 0.001 0.000 0.284 186 I C 0.240 176.337 176.117 -0.033 0.000 1.114 186 I CA 0.176 61.398 61.300 -0.130 0.000 1.418 186 I CB 0.377 38.190 38.000 -0.311 0.000 1.394 186 I HN 0.599 nan 8.210 nan 0.000 0.552 187 Q N 3.913 123.720 119.800 0.011 0.000 2.359 187 Q HA 0.276 4.617 4.340 0.001 0.000 0.274 187 Q C -1.392 174.719 176.000 0.186 0.000 1.074 187 Q CA -0.876 55.002 55.803 0.125 0.000 0.810 187 Q CB 2.897 31.708 28.738 0.121 0.000 1.342 187 Q HN 0.490 nan 8.270 nan 0.000 0.427 188 D N 1.765 122.340 120.400 0.292 0.000 2.302 188 D HA 0.395 5.036 4.640 0.001 0.000 0.248 188 D C -1.056 175.452 176.300 0.347 0.000 1.094 188 D CA 0.216 54.417 54.000 0.334 0.000 0.897 188 D CB 0.897 41.924 40.800 0.379 0.000 1.200 188 D HN 0.224 nan 8.370 nan 0.000 0.429 189 K N 1.298 121.881 120.400 0.306 0.000 2.572 189 K HA 0.332 4.653 4.320 0.001 0.000 0.263 189 K C -1.337 175.410 176.600 0.245 0.000 0.932 189 K CA -0.628 55.834 56.287 0.290 0.000 0.838 189 K CB 1.347 33.847 32.500 -0.001 0.000 1.366 189 K HN 0.145 nan 8.250 nan 0.000 0.425 190 R N 4.104 124.818 120.500 0.356 0.000 2.275 190 R HA 0.452 4.793 4.340 0.001 0.000 0.326 190 R C -0.827 175.538 176.300 0.109 0.000 0.973 190 R CA -0.654 55.579 56.100 0.221 0.000 0.854 190 R CB 0.409 30.892 30.300 0.305 0.000 1.156 190 R HN 0.498 nan 8.270 nan 0.000 0.487 191 L N 2.739 123.970 121.223 0.013 0.000 2.322 191 L HA 0.319 4.660 4.340 0.001 0.000 0.281 191 L C 0.498 177.364 176.870 -0.006 0.000 1.014 191 L CA -1.135 53.681 54.840 -0.039 0.000 0.815 191 L CB 1.584 43.589 42.059 -0.090 0.000 1.247 191 L HN 0.540 nan 8.230 nan 0.000 0.421 192 D N 0.434 120.832 120.400 -0.004 0.000 2.349 192 D HA -0.105 4.535 4.640 0.001 0.000 0.239 192 D C 0.582 176.844 176.300 -0.062 0.000 1.315 192 D CA -0.317 53.653 54.000 -0.050 0.000 0.937 192 D CB 0.452 41.213 40.800 -0.065 0.000 1.133 192 D HN 0.503 nan 8.370 nan 0.000 0.489 193 N N -1.545 117.039 118.700 -0.195 0.000 2.567 193 N HA -0.018 4.723 4.740 0.001 0.000 0.195 193 N C -0.253 175.277 175.510 0.034 0.000 1.242 193 N CA 0.316 53.277 53.050 -0.149 0.000 0.884 193 N CB -0.115 38.236 38.487 -0.227 0.000 1.007 193 N HN 0.325 nan 8.380 nan 0.000 0.450 194 F N -1.156 118.817 119.950 0.038 0.000 2.706 194 F HA 0.409 4.937 4.527 0.001 0.000 0.308 194 F C 1.756 177.597 175.800 0.068 0.000 1.095 194 F CA 0.030 58.059 58.000 0.048 0.000 1.244 194 F CB 0.063 39.091 39.000 0.048 0.000 1.063 194 F HN 0.001 nan 8.300 nan 0.000 0.582 195 G N 1.183 110.126 108.800 0.239 0.000 2.137 195 G HA2 -0.238 3.722 3.960 0.001 0.000 0.237 195 G HA3 -0.238 3.722 3.960 0.001 0.000 0.237 195 G C 0.092 175.133 174.900 0.235 0.000 1.002 195 G CA 0.332 45.558 45.100 0.211 0.000 0.702 195 G HN 0.241 nan 8.290 nan 0.000 0.515 196 T N 3.077 117.737 114.554 0.175 0.000 2.758 196 T HA 0.574 4.925 4.350 0.001 0.000 0.285 196 T C -1.973 172.727 174.700 0.000 0.000 0.981 196 T CA -0.942 61.243 62.100 0.141 0.000 0.965 196 T CB 2.420 71.390 68.868 0.171 0.000 0.927 196 T HN 0.192 nan 8.240 nan 0.000 0.448 197 P HA 0.127 nan 4.420 nan 0.000 0.266 197 P C -0.474 176.833 177.300 0.011 0.000 1.186 197 P CA 0.073 63.035 63.100 -0.230 0.000 0.767 197 P CB 0.584 32.045 31.700 -0.398 0.000 0.820 198 E N 1.826 122.111 120.200 0.143 0.000 2.260 198 E HA 0.375 4.726 4.350 0.001 0.000 0.266 198 E C -2.124 174.623 176.600 0.244 0.000 0.887 198 E CA -0.783 55.719 56.400 0.171 0.000 0.777 198 E CB 0.753 30.514 29.700 0.101 0.000 1.205 198 E HN 0.364 nan 8.360 nan 0.000 0.414 199 Y N 3.749 124.032 120.300 -0.029 0.000 2.328 199 Y HA 0.564 5.115 4.550 0.001 0.000 0.336 199 Y C -1.285 174.528 175.900 -0.146 0.000 0.960 199 Y CA -0.760 57.147 58.100 -0.322 0.000 1.134 199 Y CB 1.185 39.266 38.460 -0.633 0.000 1.166 199 Y HN 0.530 nan 8.280 nan 0.000 0.464 200 N N 4.776 123.131 118.700 -0.574 0.000 2.491 200 N HA 0.162 4.903 4.740 0.001 0.000 0.274 200 N C -1.567 173.561 175.510 -0.636 0.000 1.023 200 N CA -0.928 51.864 53.050 -0.429 0.000 0.902 200 N CB 1.450 39.837 38.487 -0.168 0.000 1.267 200 N HN 0.643 nan 8.380 nan 0.000 0.503 201 E N 2.869 122.722 120.200 -0.579 0.000 2.652 201 E HA -0.027 4.324 4.350 0.001 0.000 0.255 201 E C -1.927 174.561 176.600 -0.187 0.000 0.952 201 E CA -0.913 55.273 56.400 -0.357 0.000 0.947 201 E CB 0.438 30.078 29.700 -0.101 0.000 0.912 201 E HN 0.315 nan 8.360 nan 0.000 0.489 202 P HA 0.269 nan 4.420 nan 0.000 0.277 202 P C -0.792 176.487 177.300 -0.035 0.000 1.240 202 P CA -0.569 62.493 63.100 -0.064 0.000 0.798 202 P CB 1.421 33.107 31.700 -0.024 0.000 0.979 203 G N 0.059 108.837 108.800 -0.036 0.000 3.113 203 G HA2 0.522 4.482 3.960 0.001 0.000 0.301 203 G HA3 0.522 4.482 3.960 0.001 0.000 0.301 203 G C -0.820 174.069 174.900 -0.019 0.000 1.606 203 G CA -0.394 44.694 45.100 -0.020 0.000 1.060 203 G HN 0.632 nan 8.290 nan 0.000 0.540 204 S N 0.477 116.171 115.700 -0.011 0.000 2.595 204 S HA 0.995 5.466 4.470 0.001 0.000 0.281 204 S C 0.204 174.807 174.600 0.005 0.000 1.117 204 S CA -0.237 57.963 58.200 -0.000 0.000 0.873 204 S CB 2.594 65.799 63.200 0.008 0.000 1.108 204 S HN 2.129 nan 8.310 nan 0.000 0.477 205 G N -0.142 108.669 108.800 0.019 0.000 2.291 205 G HA2 0.443 4.404 3.960 0.001 0.000 0.249 205 G HA3 0.443 4.404 3.960 0.001 0.000 0.249 205 G C -0.196 174.733 174.900 0.049 0.000 1.340 205 G CA -0.298 44.819 45.100 0.028 0.000 1.017 205 G HN 1.433 nan 8.290 nan 0.000 0.470 206 G N -0.982 107.854 108.800 0.060 0.000 2.502 206 G HA2 0.649 4.610 3.960 0.001 0.000 0.305 206 G HA3 0.649 4.610 3.960 0.001 0.000 0.305 206 G C -0.729 174.233 174.900 0.104 0.000 1.190 206 G CA -0.327 44.835 45.100 0.103 0.000 0.933 206 G HN 1.165 nan 8.290 nan 0.000 0.503 207 F N 1.177 121.143 119.950 0.026 0.000 2.427 207 F HA 0.535 5.063 4.527 0.001 0.000 0.352 207 F C -0.280 175.528 175.800 0.013 0.000 1.100 207 F CA -0.374 57.622 58.000 -0.007 0.000 1.191 207 F CB 1.228 40.249 39.000 0.034 0.000 1.128 207 F HN 0.182 nan 8.300 nan 0.000 0.533 208 V N 6.665 126.102 119.914 -0.796 0.000 2.483 208 V HA 0.589 4.709 4.120 0.001 0.000 0.297 208 V C 0.387 176.049 176.094 -0.719 0.000 1.027 208 V CA -0.433 61.561 62.300 -0.510 0.000 0.855 208 V CB 1.029 32.695 31.823 -0.261 0.000 0.995 208 V HN 1.034 nan 8.190 nan 0.000 0.424 209 G N 2.525 111.143 108.800 -0.303 0.000 2.557 209 G HA2 0.548 4.509 3.960 0.001 0.000 0.302 209 G HA3 0.548 4.509 3.960 0.001 0.000 0.302 209 G C -0.014 174.871 174.900 -0.024 0.000 1.311 209 G CA 0.151 45.199 45.100 -0.086 0.000 1.030 209 G HN 0.813 nan 8.290 nan 0.000 0.509 210 D N -2.831 117.584 120.400 0.025 0.000 2.520 210 D HA 0.155 4.796 4.640 0.001 0.000 0.223 210 D C 0.340 176.667 176.300 0.044 0.000 1.186 210 D CA -0.002 54.010 54.000 0.020 0.000 0.821 210 D CB 0.606 41.402 40.800 -0.006 0.000 1.072 210 D HN 0.203 nan 8.370 nan 0.000 0.518 211 T N 1.185 115.779 114.554 0.067 0.000 2.786 211 T HA 0.386 4.736 4.350 0.001 0.000 0.283 211 T C -0.187 174.559 174.700 0.076 0.000 0.992 211 T CA -0.604 61.532 62.100 0.060 0.000 0.954 211 T CB 1.498 70.392 68.868 0.044 0.000 0.934 211 T HN 0.082 nan 8.240 nan 0.000 0.440 212 L N 4.004 125.261 121.223 0.057 0.000 2.360 212 L HA 0.397 4.738 4.340 0.001 0.000 0.276 212 L C -0.846 176.049 176.870 0.042 0.000 1.121 212 L CA -0.553 54.307 54.840 0.034 0.000 0.845 212 L CB 0.622 42.671 42.059 -0.017 0.000 1.143 212 L HN 0.371 nan 8.230 nan 0.000 0.452 213 L N 4.710 125.963 121.223 0.050 0.000 2.362 213 L HA 0.507 4.848 4.340 0.001 0.000 0.275 213 L C -0.587 176.321 176.870 0.063 0.000 0.998 213 L CA -0.271 54.629 54.840 0.098 0.000 0.820 213 L CB 2.148 44.306 42.059 0.164 0.000 1.270 213 L HN 0.145 nan 8.230 nan 0.000 0.415 214 V N 4.202 124.159 119.914 0.073 0.000 2.376 214 V HA 0.399 4.520 4.120 0.001 0.000 0.287 214 V C 0.064 176.212 176.094 0.092 0.000 1.015 214 V CA -0.732 61.591 62.300 0.038 0.000 0.834 214 V CB 1.289 33.105 31.823 -0.012 0.000 1.001 214 V HN 0.832 nan 8.190 nan 0.000 0.428 215 N N 3.838 122.591 118.700 0.088 0.000 2.708 215 N HA -0.220 4.521 4.740 0.001 0.000 0.251 215 N C 1.139 176.784 175.510 0.226 0.000 1.123 215 N CA 2.038 55.156 53.050 0.113 0.000 0.739 215 N CB -1.129 37.421 38.487 0.104 0.000 1.113 215 N HN 1.517 nan 8.380 nan 0.000 0.561 216 G N -2.840 106.138 108.800 0.298 0.000 2.179 216 G HA2 -0.155 3.806 3.960 0.001 0.000 0.220 216 G HA3 -0.155 3.806 3.960 0.001 0.000 0.220 216 G C -0.088 175.124 174.900 0.521 0.000 0.990 216 G CA 0.424 45.782 45.100 0.429 0.000 0.646 216 G HN 1.098 nan 8.290 nan 0.000 0.517 217 V N 0.174 120.289 119.914 0.335 0.000 2.769 217 V HA 0.760 4.881 4.120 0.001 0.000 0.312 217 V C -0.074 176.114 176.094 0.157 0.000 1.061 217 V CA -0.727 61.711 62.300 0.230 0.000 0.931 217 V CB 1.795 33.698 31.823 0.134 0.000 1.010 217 V HN 0.306 nan 8.190 nan 0.000 0.433 218 Q N 3.026 122.906 119.800 0.133 0.000 2.295 218 Q HA 0.356 4.697 4.340 0.001 0.000 0.259 218 Q C 0.496 176.529 176.000 0.056 0.000 0.976 218 Q CA 0.314 56.171 55.803 0.091 0.000 0.923 218 Q CB 1.191 29.983 28.738 0.090 0.000 1.185 218 Q HN 1.020 nan 8.270 nan 0.000 0.410 219 S N 2.250 117.970 115.700 0.034 0.000 3.410 219 S HA -0.138 4.333 4.470 0.001 0.000 0.369 219 S C -2.100 172.516 174.600 0.027 0.000 0.961 219 S CA 0.216 58.426 58.200 0.018 0.000 1.248 219 S CB -1.419 61.792 63.200 0.019 0.000 0.914 219 S HN 0.576 nan 8.310 nan 0.000 0.497 220 P HA 0.334 nan 4.420 nan 0.000 0.274 220 P C -0.202 177.093 177.300 -0.009 0.000 1.246 220 P CA -0.501 62.591 63.100 -0.013 0.000 0.795 220 P CB 0.467 32.123 31.700 -0.074 0.000 1.006 221 Y N -0.969 119.295 120.300 -0.061 0.000 2.457 221 Y HA 0.697 5.248 4.550 0.001 0.000 0.333 221 Y C -1.173 174.651 175.900 -0.127 0.000 1.119 221 Y CA -1.454 56.595 58.100 -0.084 0.000 1.143 221 Y CB 1.311 39.730 38.460 -0.069 0.000 1.230 221 Y HN 0.177 nan 8.280 nan 0.000 0.469 222 V N 3.722 123.547 119.914 -0.148 0.000 2.447 222 V HA 0.275 4.396 4.120 0.001 0.000 0.292 222 V C -0.884 175.134 176.094 -0.127 0.000 1.021 222 V CA -0.643 61.444 62.300 -0.355 0.000 0.850 222 V CB 1.221 32.710 31.823 -0.556 0.000 1.005 222 V HN 0.968 nan 8.190 nan 0.000 0.426 223 E N 4.445 124.634 120.200 -0.018 0.000 2.265 223 E HA 0.418 4.769 4.350 0.001 0.000 0.272 223 E C -0.296 176.296 176.600 -0.013 0.000 1.067 223 E CA -0.086 56.363 56.400 0.081 0.000 0.900 223 E CB 1.092 30.896 29.700 0.174 0.000 1.017 223 E HN 0.707 nan 8.360 nan 0.000 0.431 224 V N 1.251 121.172 119.914 0.011 0.000 3.103 224 V HA 0.598 4.719 4.120 0.001 0.000 0.318 224 V C 0.412 176.556 176.094 0.083 0.000 1.114 224 V CA -0.786 61.558 62.300 0.074 0.000 1.020 224 V CB 1.518 33.385 31.823 0.072 0.000 1.085 224 V HN 0.709 nan 8.190 nan 0.000 0.446 225 S N 1.119 116.887 115.700 0.115 0.000 2.632 225 S HA 0.284 4.755 4.470 0.001 0.000 0.254 225 S C 0.456 175.087 174.600 0.053 0.000 1.291 225 S CA -0.161 58.090 58.200 0.085 0.000 0.974 225 S CB 0.156 63.417 63.200 0.101 0.000 1.016 225 S HN 0.906 nan 8.310 nan 0.000 0.579 226 R N 0.098 120.620 120.500 0.036 0.000 3.335 226 R HA 0.424 4.765 4.340 0.001 0.000 0.337 226 R C 0.373 176.661 176.300 -0.019 0.000 1.283 226 R CA -0.000 56.100 56.100 0.001 0.000 1.246 226 R CB -0.428 29.869 30.300 -0.003 0.000 1.464 226 R HN 0.839 nan 8.270 nan 0.000 0.607 227 G N -0.261 108.530 108.800 -0.016 0.000 3.198 227 G HA2 0.139 4.099 3.960 0.001 0.000 0.166 227 G HA3 0.139 4.099 3.960 0.001 0.000 0.166 227 G C -1.516 173.322 174.900 -0.104 0.000 1.134 227 G CA -0.684 44.385 45.100 -0.051 0.000 0.941 227 G HN 0.209 nan 8.290 nan 0.000 0.639 228 W N 0.626 121.961 121.300 0.059 0.000 2.287 228 W HA 0.561 5.222 4.660 0.001 0.000 0.313 228 W C -0.232 176.340 176.519 0.088 0.000 1.267 228 W CA -0.194 57.192 57.345 0.069 0.000 1.201 228 W CB 1.621 31.114 29.460 0.054 0.000 1.196 228 W HN 0.123 nan 8.180 nan 0.000 0.536 229 V N 4.601 124.717 119.914 0.338 0.000 2.495 229 V HA 0.436 4.557 4.120 0.001 0.000 0.298 229 V C -0.131 176.137 176.094 0.289 0.000 1.031 229 V CA -1.447 61.019 62.300 0.277 0.000 0.871 229 V CB 1.520 33.477 31.823 0.223 0.000 0.988 229 V HN 0.464 nan 8.190 nan 0.000 0.432 230 R N 4.607 125.251 120.500 0.241 0.000 2.265 230 R HA 0.691 5.032 4.340 0.001 0.000 0.319 230 R C -1.532 174.883 176.300 0.192 0.000 1.006 230 R CA -0.511 55.708 56.100 0.199 0.000 0.880 230 R CB 0.827 31.216 30.300 0.149 0.000 1.077 230 R HN 0.711 nan 8.270 nan 0.000 0.454 231 L N 5.456 126.779 121.223 0.168 0.000 2.333 231 L HA 0.522 4.863 4.340 0.001 0.000 0.280 231 L C 0.033 176.963 176.870 0.099 0.000 1.004 231 L CA -0.836 54.089 54.840 0.142 0.000 0.820 231 L CB 1.991 44.118 42.059 0.112 0.000 1.247 231 L HN 0.561 nan 8.230 nan 0.000 0.416 232 R N 5.025 125.578 120.500 0.089 0.000 2.369 232 R HA 0.424 4.765 4.340 0.001 0.000 0.310 232 R C -0.938 175.380 176.300 0.030 0.000 1.141 232 R CA -0.584 55.552 56.100 0.059 0.000 1.116 232 R CB 0.396 30.739 30.300 0.072 0.000 1.135 232 R HN 0.513 nan 8.270 nan 0.000 0.529 233 L N 3.754 124.981 121.223 0.007 0.000 2.380 233 L HA 0.369 4.710 4.340 0.001 0.000 0.273 233 L C -0.156 176.673 176.870 -0.069 0.000 1.138 233 L CA -0.631 54.192 54.840 -0.029 0.000 0.832 233 L CB 0.275 42.315 42.059 -0.031 0.000 1.124 233 L HN 0.293 nan 8.230 nan 0.000 0.454 234 L N 3.471 124.628 121.223 -0.111 0.000 2.470 234 L HA 0.475 4.816 4.340 0.001 0.000 0.268 234 L C -0.853 175.877 176.870 -0.232 0.000 0.964 234 L CA -0.406 54.302 54.840 -0.220 0.000 0.839 234 L CB 1.761 43.664 42.059 -0.261 0.000 1.276 234 L HN 0.486 nan 8.230 nan 0.000 0.403 235 N N 3.990 122.533 118.700 -0.261 0.000 2.521 235 N HA 0.473 5.214 4.740 0.001 0.000 0.236 235 N C -0.009 175.321 175.510 -0.301 0.000 1.067 235 N CA 0.371 53.340 53.050 -0.134 0.000 0.939 235 N CB 1.404 39.889 38.487 -0.003 0.000 1.201 235 N HN 0.778 nan 8.380 nan 0.000 0.511 236 A N 2.213 124.894 122.820 -0.232 0.000 2.532 236 A HA 0.252 4.573 4.320 0.001 0.000 0.273 236 A C 0.619 178.222 177.584 0.031 0.000 1.342 236 A CA -0.399 51.509 52.037 -0.214 0.000 0.929 236 A CB -0.168 18.759 19.000 -0.121 0.000 1.051 236 A HN 0.502 nan 8.150 nan 0.000 0.521 237 S N -0.175 115.577 115.700 0.086 0.000 2.608 237 S HA 0.097 4.568 4.470 0.001 0.000 0.261 237 S C 1.105 175.803 174.600 0.164 0.000 1.314 237 S CA -0.259 58.047 58.200 0.176 0.000 0.992 237 S CB 0.516 63.828 63.200 0.188 0.000 0.935 237 S HN 0.580 nan 8.310 nan 0.000 0.564 238 N N 0.462 119.300 118.700 0.230 0.000 2.333 238 N HA -0.004 4.737 4.740 0.001 0.000 0.178 238 N C 1.323 176.937 175.510 0.173 0.000 1.018 238 N CA 1.082 54.256 53.050 0.207 0.000 0.882 238 N CB 0.184 38.839 38.487 0.281 0.000 0.984 238 N HN 0.608 nan 8.380 nan 0.000 0.434 239 S N -2.286 113.508 115.700 0.156 0.000 2.462 239 S HA 0.126 4.597 4.470 0.001 0.000 0.269 239 S C 0.427 175.058 174.600 0.052 0.000 1.005 239 S CA -0.582 57.696 58.200 0.129 0.000 1.260 239 S CB 0.376 63.657 63.200 0.136 0.000 0.990 239 S HN 0.037 nan 8.310 nan 0.000 0.477 240 R N 2.657 123.133 120.500 -0.040 0.000 2.537 240 R HA 0.152 4.493 4.340 0.001 0.000 0.281 240 R C -0.020 175.958 176.300 -0.536 0.000 0.988 240 R CA 0.167 56.105 56.100 -0.270 0.000 1.077 240 R CB 0.375 30.484 30.300 -0.318 0.000 0.932 240 R HN 0.509 nan 8.270 nan 0.000 0.409 241 R N 4.194 124.340 120.500 -0.590 0.000 2.514 241 R HA 0.227 4.567 4.340 0.001 0.000 0.301 241 R C -1.494 174.395 176.300 -0.685 0.000 0.962 241 R CA -0.537 55.166 56.100 -0.662 0.000 0.882 241 R CB 0.887 30.688 30.300 -0.833 0.000 1.143 241 R HN 0.519 nan 8.270 nan 0.000 0.452 242 Y N 1.564 121.746 120.300 -0.196 0.000 2.446 242 Y HA 0.296 4.847 4.550 0.001 0.000 0.338 242 Y C 0.014 175.812 175.900 -0.169 0.000 1.055 242 Y CA -0.934 57.076 58.100 -0.151 0.000 1.101 242 Y CB 2.041 40.439 38.460 -0.103 0.000 1.221 242 Y HN 0.304 nan 8.280 nan 0.000 0.460 243 Q N 4.146 123.956 119.800 0.017 0.000 2.425 243 Q HA 0.402 4.743 4.340 0.001 0.000 0.254 243 Q C -1.086 174.900 176.000 -0.023 0.000 1.032 243 Q CA -0.342 55.432 55.803 -0.049 0.000 0.798 243 Q CB 1.652 30.343 28.738 -0.077 0.000 1.210 243 Q HN 0.680 nan 8.270 nan 0.000 0.491 244 L N 2.103 123.306 121.223 -0.033 0.000 2.399 244 L HA 0.503 4.844 4.340 0.001 0.000 0.265 244 L C 0.417 177.256 176.870 -0.052 0.000 1.089 244 L CA -0.519 54.296 54.840 -0.042 0.000 0.802 244 L CB 0.695 42.725 42.059 -0.050 0.000 1.180 244 L HN 0.523 nan 8.230 nan 0.000 0.454 245 Q N 0.500 120.271 119.800 -0.049 0.000 2.776 245 Q HA 0.425 4.766 4.340 0.001 0.000 0.289 245 Q C -1.822 174.150 176.000 -0.045 0.000 0.912 245 Q CA -1.075 54.698 55.803 -0.050 0.000 0.789 245 Q CB 1.485 30.195 28.738 -0.046 0.000 1.498 245 Q HN 0.289 nan 8.270 nan 0.000 0.408 246 M N 3.096 122.668 119.600 -0.046 0.000 2.211 246 M HA 0.146 4.627 4.480 0.001 0.000 0.356 246 M C 0.950 177.230 176.300 -0.034 0.000 1.216 246 M CA -0.319 54.956 55.300 -0.041 0.000 1.134 246 M CB 0.169 32.741 32.600 -0.046 0.000 1.564 246 M HN 0.883 nan 8.290 nan 0.000 0.463 247 N N 1.876 120.558 118.700 -0.031 0.000 2.550 247 N HA -0.163 4.578 4.740 0.001 0.000 0.186 247 N C 0.330 175.826 175.510 -0.024 0.000 1.110 247 N CA 1.003 54.037 53.050 -0.026 0.000 0.912 247 N CB -0.324 38.149 38.487 -0.024 0.000 0.968 247 N HN 0.613 nan 8.380 nan 0.000 0.448 248 D N -2.208 118.176 120.400 -0.026 0.000 2.369 248 D HA 0.184 4.825 4.640 0.001 0.000 0.211 248 D C 1.227 177.514 176.300 -0.021 0.000 1.077 248 D CA 0.472 54.458 54.000 -0.023 0.000 0.842 248 D CB -0.225 40.560 40.800 -0.025 0.000 0.947 248 D HN 0.264 nan 8.370 nan 0.000 0.509 249 G N 1.280 110.066 108.800 -0.024 0.000 2.195 249 G HA2 -0.316 3.645 3.960 0.001 0.000 0.246 249 G HA3 -0.316 3.645 3.960 0.001 0.000 0.246 249 G C 0.388 175.274 174.900 -0.024 0.000 0.984 249 G CA 0.088 45.175 45.100 -0.021 0.000 0.633 249 G HN 0.752 nan 8.290 nan 0.000 0.525 250 R N 1.104 121.586 120.500 -0.030 0.000 2.694 250 R HA 0.547 4.888 4.340 0.001 0.000 0.268 250 R C -2.147 174.111 176.300 -0.069 0.000 1.061 250 R CA -0.703 55.375 56.100 -0.036 0.000 1.133 250 R CB 0.278 30.557 30.300 -0.034 0.000 1.020 250 R HN 0.231 nan 8.270 nan 0.000 0.475 251 P HA 0.145 nan 4.420 nan 0.000 0.276 251 P C -1.052 176.059 177.300 -0.314 0.000 1.244 251 P CA -0.537 62.474 63.100 -0.150 0.000 0.801 251 P CB 0.719 32.360 31.700 -0.099 0.000 1.006 252 L N 2.731 123.804 121.223 -0.251 0.000 2.282 252 L HA 0.304 4.644 4.340 0.001 0.000 0.288 252 L C 0.696 177.432 176.870 -0.224 0.000 1.033 252 L CA -0.324 54.375 54.840 -0.235 0.000 0.807 252 L CB 0.335 42.337 42.059 -0.095 0.000 1.209 252 L HN 0.335 nan 8.230 nan 0.000 0.423 253 H N 3.550 122.690 119.070 0.117 0.000 2.705 253 H HA 0.343 4.900 4.556 0.001 0.000 0.291 253 H C -0.503 174.877 175.328 0.088 0.000 1.085 253 H CA -0.508 55.607 56.048 0.111 0.000 1.357 253 H CB 0.954 30.809 29.762 0.156 0.000 1.419 253 H HN 0.221 nan 8.280 nan 0.000 0.462 254 V N 5.748 125.758 119.914 0.160 0.000 2.509 254 V HA 0.113 4.234 4.120 0.001 0.000 0.284 254 V C 1.615 177.784 176.094 0.124 0.000 1.047 254 V CA -0.305 62.066 62.300 0.118 0.000 0.952 254 V CB 1.276 33.148 31.823 0.081 0.000 0.988 254 V HN 0.798 nan 8.190 nan 0.000 0.469 255 I N 0.162 120.813 120.570 0.135 0.000 4.439 255 I HA 0.519 4.690 4.170 0.001 0.000 0.331 255 I C 0.399 176.645 176.117 0.215 0.000 1.345 255 I CA 0.167 61.576 61.300 0.183 0.000 1.193 255 I CB 0.828 38.954 38.000 0.210 0.000 1.221 255 I HN 0.466 nan 8.210 nan 0.000 0.429 256 S N 0.304 116.073 115.700 0.114 0.000 2.587 256 S HA 0.781 5.252 4.470 0.001 0.000 0.269 256 S C -0.442 174.178 174.600 0.034 0.000 1.154 256 S CA -0.190 58.033 58.200 0.038 0.000 0.824 256 S CB 1.979 65.134 63.200 -0.075 0.000 1.118 256 S HN 0.670 nan 8.310 nan 0.000 0.462 257 G N 1.695 110.509 108.800 0.023 0.000 2.328 257 G HA2 0.023 3.984 3.960 0.001 0.000 0.244 257 G HA3 0.023 3.984 3.960 0.001 0.000 0.244 257 G C -0.253 174.642 174.900 -0.009 0.000 1.317 257 G CA -0.529 44.577 45.100 0.008 0.000 1.261 257 G HN 0.555 nan 8.290 nan 0.000 0.648 258 D N 0.235 120.644 120.400 0.016 0.000 2.158 258 D HA -0.079 4.562 4.640 0.001 0.000 0.197 258 D C 2.025 178.327 176.300 0.003 0.000 0.995 258 D CA 1.327 55.337 54.000 0.015 0.000 0.846 258 D CB 0.395 41.203 40.800 0.014 0.000 0.941 258 D HN 0.541 nan 8.370 nan 0.000 0.456 259 Q N -0.831 118.974 119.800 0.009 0.000 2.159 259 Q HA 0.415 4.756 4.340 0.001 0.000 0.217 259 Q C 0.476 176.478 176.000 0.002 0.000 0.818 259 Q CA -0.094 55.706 55.803 -0.004 0.000 1.008 259 Q CB 2.041 30.773 28.738 -0.010 0.000 1.148 259 Q HN 0.192 nan 8.270 nan 0.000 0.491 260 G N 0.190 108.971 108.800 -0.031 0.000 2.369 260 G HA2 0.082 4.043 3.960 0.001 0.000 0.293 260 G HA3 0.082 4.043 3.960 0.001 0.000 0.293 260 G C -1.309 173.540 174.900 -0.085 0.000 1.301 260 G CA -1.128 43.911 45.100 -0.102 0.000 0.913 260 G HN 0.032 nan 8.290 nan 0.000 0.540 261 F N 0.185 120.187 119.950 0.086 0.000 2.496 261 F HA 0.495 5.023 4.527 0.001 0.000 0.344 261 F C 1.438 177.279 175.800 0.069 0.000 1.155 261 F CA -0.195 57.844 58.000 0.065 0.000 1.302 261 F CB 0.510 39.538 39.000 0.048 0.000 1.159 261 F HN 0.245 nan 8.300 nan 0.000 0.595 262 L N 3.513 124.891 121.223 0.259 0.000 2.421 262 L HA 0.211 4.551 4.340 0.001 0.000 0.263 262 L C -1.431 175.511 176.870 0.120 0.000 1.122 262 L CA -1.689 53.237 54.840 0.142 0.000 0.804 262 L CB 0.417 42.540 42.059 0.105 0.000 1.150 262 L HN 0.389 nan 8.230 nan 0.000 0.457 263 P HA -0.152 nan 4.420 nan 0.000 0.216 263 P C -0.353 176.961 177.300 0.024 0.000 1.154 263 P CA 1.249 64.374 63.100 0.041 0.000 0.865 263 P CB 0.245 31.954 31.700 0.017 0.000 0.789 264 A N -3.398 119.438 122.820 0.027 0.000 2.612 264 A HA 0.579 4.900 4.320 0.001 0.000 0.293 264 A C -2.974 174.625 177.584 0.026 0.000 1.075 264 A CA -1.617 50.425 52.037 0.008 0.000 0.680 264 A CB 0.275 19.273 19.000 -0.003 0.000 1.279 264 A HN -0.256 nan 8.150 nan 0.000 0.411 265 P HA 0.208 nan 4.420 nan 0.000 0.264 265 P C -0.708 176.631 177.300 0.066 0.000 1.179 265 P CA 0.211 63.330 63.100 0.031 0.000 0.763 265 P CB 0.456 32.139 31.700 -0.029 0.000 0.806 266 V N 3.560 123.535 119.914 0.102 0.000 2.376 266 V HA 0.157 4.278 4.120 0.001 0.000 0.287 266 V C -0.104 176.075 176.094 0.142 0.000 1.015 266 V CA -0.232 62.133 62.300 0.108 0.000 0.834 266 V CB 1.485 33.364 31.823 0.094 0.000 1.001 266 V HN 0.433 nan 8.190 nan 0.000 0.428 267 S N 4.729 120.531 115.700 0.169 0.000 2.416 267 S HA 0.530 5.001 4.470 0.001 0.000 0.287 267 S C -0.047 174.596 174.600 0.072 0.000 1.139 267 S CA -0.409 57.901 58.200 0.183 0.000 1.058 267 S CB 1.108 64.480 63.200 0.287 0.000 0.967 267 S HN 0.777 nan 8.310 nan 0.000 0.495 268 V N 2.239 122.157 119.914 0.006 0.000 3.113 268 V HA 0.635 4.755 4.120 0.001 0.000 0.316 268 V C 0.689 176.753 176.094 -0.050 0.000 1.125 268 V CA -0.843 61.448 62.300 -0.016 0.000 1.026 268 V CB 2.015 33.817 31.823 -0.035 0.000 1.080 268 V HN 0.719 nan 8.190 nan 0.000 0.444 269 K N 0.170 120.542 120.400 -0.046 0.000 2.190 269 K HA 0.303 4.623 4.320 0.001 0.000 0.202 269 K C 0.867 177.428 176.600 -0.066 0.000 1.045 269 K CA 0.324 56.582 56.287 -0.049 0.000 0.976 269 K CB 0.304 32.788 32.500 -0.028 0.000 0.849 269 K HN 0.833 nan 8.250 nan 0.000 0.468 270 Q N 0.780 120.527 119.800 -0.088 0.000 2.365 270 Q HA 0.392 4.733 4.340 0.001 0.000 0.269 270 Q C -2.027 173.886 176.000 -0.144 0.000 1.061 270 Q CA -0.839 54.900 55.803 -0.105 0.000 0.816 270 Q CB 1.830 30.503 28.738 -0.107 0.000 1.325 270 Q HN 0.115 nan 8.270 nan 0.000 0.446 271 L N 2.218 123.368 121.223 -0.121 0.000 2.372 271 L HA 0.444 4.785 4.340 0.001 0.000 0.274 271 L C -0.924 175.874 176.870 -0.120 0.000 0.988 271 L CA -0.001 54.765 54.840 -0.123 0.000 0.833 271 L CB 1.917 43.931 42.059 -0.076 0.000 1.236 271 L HN 0.575 nan 8.230 nan 0.000 0.410 272 S N 5.114 120.720 115.700 -0.158 0.000 2.513 272 S HA 0.643 5.113 4.470 0.001 0.000 0.276 272 S C -0.765 173.770 174.600 -0.107 0.000 1.254 272 S CA -0.382 57.720 58.200 -0.162 0.000 1.053 272 S CB 0.512 63.587 63.200 -0.210 0.000 0.958 272 S HN 0.587 nan 8.310 nan 0.000 0.491 273 L N 5.209 126.373 121.223 -0.099 0.000 2.471 273 L HA 0.715 5.056 4.340 0.001 0.000 0.263 273 L C -0.093 176.733 176.870 -0.073 0.000 0.985 273 L CA -0.021 54.796 54.840 -0.040 0.000 0.868 273 L CB 1.079 43.151 42.059 0.021 0.000 1.203 273 L HN 0.869 nan 8.230 nan 0.000 0.429 274 A N 5.553 128.337 122.820 -0.059 0.000 2.271 274 A HA 0.842 5.163 4.320 0.001 0.000 0.288 274 A C -2.523 175.079 177.584 0.032 0.000 1.094 274 A CA -1.583 50.437 52.037 -0.029 0.000 0.828 274 A CB -0.094 19.026 19.000 0.200 0.000 1.091 274 A HN 0.559 nan 8.150 nan 0.000 0.493 275 P HA 0.200 nan 4.420 nan 0.000 0.260 275 P C 0.933 178.259 177.300 0.042 0.000 1.185 275 P CA 2.123 65.246 63.100 0.038 0.000 0.763 275 P CB 0.412 32.174 31.700 0.104 0.000 0.776 276 G N 1.913 110.627 108.800 -0.144 0.000 2.199 276 G HA2 -0.238 3.723 3.960 0.001 0.000 0.254 276 G HA3 -0.238 3.723 3.960 0.001 0.000 0.254 276 G C 0.141 174.968 174.900 -0.122 0.000 0.982 276 G CA -0.314 44.711 45.100 -0.125 0.000 0.632 276 G HN 0.536 nan 8.290 nan 0.000 0.529 277 E N 0.455 120.604 120.200 -0.085 0.000 2.313 277 E HA 0.572 4.923 4.350 0.001 0.000 0.272 277 E C 0.418 176.950 176.600 -0.114 0.000 1.038 277 E CA -0.321 56.064 56.400 -0.025 0.000 0.863 277 E CB 0.619 30.345 29.700 0.043 0.000 1.060 277 E HN 0.465 nan 8.360 nan 0.000 0.402 278 R N 2.229 122.694 120.500 -0.059 0.000 2.686 278 R HA 0.577 4.918 4.340 0.001 0.000 0.283 278 R C -0.463 175.826 176.300 -0.020 0.000 0.978 278 R CA -0.824 55.236 56.100 -0.067 0.000 0.897 278 R CB 2.169 32.428 30.300 -0.068 0.000 1.192 278 R HN 0.351 nan 8.270 nan 0.000 0.457 279 R N 1.332 121.823 120.500 -0.016 0.000 2.535 279 R HA 0.207 4.548 4.340 0.001 0.000 0.274 279 R C -1.212 175.099 176.300 0.018 0.000 1.090 279 R CA -0.798 55.306 56.100 0.006 0.000 0.930 279 R CB 2.867 33.173 30.300 0.011 0.000 1.223 279 R HN 0.586 nan 8.270 nan 0.000 0.441 280 E N 3.700 123.920 120.200 0.033 0.000 2.134 280 E HA 0.358 4.709 4.350 0.001 0.000 0.278 280 E C -0.272 176.384 176.600 0.093 0.000 0.959 280 E CA -0.468 55.968 56.400 0.061 0.000 0.783 280 E CB 1.487 31.222 29.700 0.057 0.000 1.095 280 E HN 0.398 nan 8.360 nan 0.000 0.399 281 I N 0.086 120.719 120.570 0.106 0.000 2.693 281 I HA 0.536 4.706 4.170 0.001 0.000 0.303 281 I C -1.036 175.196 176.117 0.192 0.000 1.025 281 I CA -1.123 60.259 61.300 0.136 0.000 1.086 281 I CB 1.437 39.497 38.000 0.099 0.000 1.268 281 I HN 0.301 nan 8.210 nan 0.000 0.440 282 L N 4.993 126.381 121.223 0.275 0.000 2.333 282 L HA 0.646 4.987 4.340 0.001 0.000 0.280 282 L C -0.855 176.388 176.870 0.621 0.000 1.004 282 L CA -0.956 54.130 54.840 0.409 0.000 0.820 282 L CB 2.043 44.260 42.059 0.263 0.000 1.247 282 L HN 0.458 nan 8.230 nan 0.000 0.416 283 V N 1.241 121.464 119.914 0.515 0.000 2.604 283 V HA 0.317 4.438 4.120 0.001 0.000 0.305 283 V C -0.698 175.375 176.094 -0.035 0.000 1.043 283 V CA -0.696 61.764 62.300 0.267 0.000 0.888 283 V CB 2.265 34.160 31.823 0.120 0.000 0.995 283 V HN 0.599 nan 8.190 nan 0.000 0.429 284 D N 4.336 124.444 120.400 -0.486 0.000 2.373 284 D HA 0.374 5.015 4.640 0.001 0.000 0.227 284 D C 0.435 176.483 176.300 -0.419 0.000 1.091 284 D CA -0.438 52.999 54.000 -0.938 0.000 0.840 284 D CB 1.340 41.278 40.800 -1.438 0.000 1.060 284 D HN 0.311 nan 8.370 nan 0.000 0.502 285 M N 2.409 121.832 119.600 -0.294 0.000 2.453 285 M HA 0.006 4.487 4.480 0.001 0.000 0.239 285 M C 1.804 178.019 176.300 -0.143 0.000 1.151 285 M CA 0.048 55.253 55.300 -0.157 0.000 0.989 285 M CB -0.745 31.808 32.600 -0.080 0.000 1.548 285 M HN 0.427 nan 8.290 nan 0.000 0.479 286 S N 2.572 118.151 115.700 -0.202 0.000 2.372 286 S HA -0.222 4.249 4.470 0.001 0.000 0.227 286 S C 1.565 176.111 174.600 -0.089 0.000 1.044 286 S CA 1.944 60.060 58.200 -0.138 0.000 1.050 286 S CB -1.065 62.038 63.200 -0.161 0.000 0.901 286 S HN 0.650 nan 8.310 nan 0.000 0.447 287 N N 2.351 120.996 118.700 -0.091 0.000 2.513 287 N HA -0.014 4.727 4.740 0.001 0.000 0.187 287 N C 1.413 176.895 175.510 -0.048 0.000 1.056 287 N CA 1.095 54.108 53.050 -0.060 0.000 0.907 287 N CB -1.341 37.112 38.487 -0.056 0.000 0.954 287 N HN 0.920 nan 8.380 nan 0.000 0.445 288 G N 0.002 108.771 108.800 -0.051 0.000 2.160 288 G HA2 -0.260 3.700 3.960 0.001 0.000 0.251 288 G HA3 -0.260 3.700 3.960 0.001 0.000 0.251 288 G C -0.860 174.017 174.900 -0.038 0.000 1.008 288 G CA 0.390 45.466 45.100 -0.039 0.000 0.724 288 G HN 0.528 nan 8.290 nan 0.000 0.514 289 D N 0.221 120.596 120.400 -0.043 0.000 2.185 289 D HA 0.500 5.141 4.640 0.001 0.000 0.247 289 D C 0.376 176.652 176.300 -0.040 0.000 1.027 289 D CA -0.410 53.567 54.000 -0.039 0.000 0.861 289 D CB 0.836 41.614 40.800 -0.038 0.000 1.202 289 D HN 0.324 nan 8.370 nan 0.000 0.453 290 E N 0.650 120.828 120.200 -0.037 0.000 2.344 290 E HA 0.293 4.644 4.350 0.001 0.000 0.270 290 E C -0.888 175.692 176.600 -0.032 0.000 1.021 290 E CA -0.173 56.206 56.400 -0.034 0.000 0.887 290 E CB 1.471 31.149 29.700 -0.036 0.000 0.997 290 E HN 0.059 nan 8.360 nan 0.000 0.429 291 V N 2.774 122.669 119.914 -0.031 0.000 2.680 291 V HA 0.369 4.490 4.120 0.001 0.000 0.309 291 V C -0.664 175.413 176.094 -0.027 0.000 1.052 291 V CA -0.299 61.982 62.300 -0.031 0.000 0.908 291 V CB 2.254 34.056 31.823 -0.036 0.000 1.001 291 V HN 0.606 nan 8.190 nan 0.000 0.431 292 S N 5.097 120.781 115.700 -0.027 0.000 2.536 292 S HA 0.723 5.194 4.470 0.001 0.000 0.298 292 S C -0.761 173.820 174.600 -0.032 0.000 1.083 292 S CA -0.578 57.606 58.200 -0.026 0.000 0.995 292 S CB 1.348 64.534 63.200 -0.022 0.000 1.058 292 S HN 0.565 nan 8.310 nan 0.000 0.488 293 I N 3.328 123.876 120.570 -0.037 0.000 2.359 293 I HA 0.402 4.573 4.170 0.001 0.000 0.294 293 I C 0.497 176.584 176.117 -0.049 0.000 0.987 293 I CA -0.266 61.007 61.300 -0.045 0.000 1.225 293 I CB 1.871 39.839 38.000 -0.052 0.000 1.366 293 I HN 0.677 nan 8.210 nan 0.000 0.466 294 T N 2.132 116.658 114.554 -0.046 0.000 2.888 294 T HA 0.766 5.117 4.350 0.001 0.000 0.288 294 T C -0.306 174.370 174.700 -0.040 0.000 1.063 294 T CA -0.776 61.299 62.100 -0.041 0.000 1.010 294 T CB 1.734 70.585 68.868 -0.028 0.000 1.214 294 T HN 0.738 nan 8.240 nan 0.000 0.533 316 V N -2.334 117.589 119.914 0.015 0.000 2.426 316 V HA 0.219 4.339 4.120 0.001 0.000 0.242 316 V C 0.781 176.882 176.094 0.011 0.000 1.036 316 V CA 0.822 63.129 62.300 0.011 0.000 1.044 316 V CB 0.953 32.784 31.823 0.012 0.000 0.688 316 V HN 0.540 nan 8.190 nan 0.000 0.462 317 S N 0.517 116.225 115.700 0.014 0.000 2.473 317 S HA 0.531 5.002 4.470 0.001 0.000 0.307 317 S C 0.812 175.416 174.600 0.006 0.000 1.094 317 S CA 0.192 58.398 58.200 0.009 0.000 1.070 317 S CB 1.581 64.788 63.200 0.011 0.000 1.019 317 S HN 0.801 nan 8.310 nan 0.000 0.480 318 T N 2.205 116.759 114.554 0.001 0.000 3.107 318 T HA 0.221 4.572 4.350 0.001 0.000 0.249 318 T C 0.378 175.066 174.700 -0.019 0.000 1.096 318 T CA -0.122 61.975 62.100 -0.004 0.000 1.012 318 T CB -0.250 68.617 68.868 -0.003 0.000 0.977 318 T HN 0.323 nan 8.240 nan 0.000 0.527 319 L N 2.270 123.482 121.223 -0.017 0.000 2.315 319 L HA 0.422 4.762 4.340 0.001 0.000 0.283 319 L C 0.915 177.762 176.870 -0.039 0.000 1.089 319 L CA -0.016 54.810 54.840 -0.023 0.000 0.833 319 L CB 0.917 42.970 42.059 -0.010 0.000 1.170 319 L HN -0.007 nan 8.230 nan 0.000 0.442 320 V N 5.177 125.056 119.914 -0.058 0.000 2.391 320 V HA 0.232 4.353 4.120 0.001 0.000 0.237 320 V C 0.048 176.104 176.094 -0.063 0.000 1.046 320 V CA 0.549 62.798 62.300 -0.085 0.000 1.053 320 V CB 0.149 31.897 31.823 -0.125 0.000 0.704 320 V HN 0.678 nan 8.190 nan 0.000 0.475 321 L N -0.974 120.217 121.223 -0.054 0.000 2.505 321 L HA 0.631 4.972 4.340 0.001 0.000 0.259 321 L C -0.924 175.926 176.870 -0.034 0.000 0.952 321 L CA 0.114 54.924 54.840 -0.050 0.000 0.840 321 L CB 2.187 44.203 42.059 -0.071 0.000 1.358 321 L HN 0.049 nan 8.230 nan 0.000 0.409 322 T N 4.669 119.214 114.554 -0.014 0.000 2.797 322 T HA 0.710 5.060 4.350 0.001 0.000 0.279 322 T C -0.806 173.897 174.700 0.006 0.000 0.991 322 T CA -0.219 61.886 62.100 0.009 0.000 0.979 322 T CB 1.060 69.957 68.868 0.047 0.000 0.943 322 T HN 0.415 nan 8.240 nan 0.000 0.444 323 L N 3.902 125.118 121.223 -0.011 0.000 2.282 323 L HA 0.562 4.903 4.340 0.001 0.000 0.288 323 L C 0.445 177.313 176.870 -0.003 0.000 1.033 323 L CA -0.237 54.590 54.840 -0.022 0.000 0.807 323 L CB 0.994 43.033 42.059 -0.034 0.000 1.209 323 L HN 0.379 nan 8.230 nan 0.000 0.423 324 R N 3.869 124.380 120.500 0.017 0.000 2.561 324 R HA 0.558 4.899 4.340 0.001 0.000 0.297 324 R C -2.639 173.665 176.300 0.008 0.000 0.969 324 R CA -1.770 54.334 56.100 0.007 0.000 0.879 324 R CB 2.133 32.436 30.300 0.006 0.000 1.178 324 R HN 0.267 nan 8.270 nan 0.000 0.445 325 P HA 0.180 nan 4.420 nan 0.000 0.286 325 P C -0.407 176.891 177.300 -0.003 0.000 1.261 325 P CA -0.436 62.664 63.100 -0.000 0.000 0.821 325 P CB 1.464 33.156 31.700 -0.013 0.000 1.013 326 T N -0.865 113.693 114.554 0.007 0.000 2.876 326 T HA 0.881 5.232 4.350 0.001 0.000 0.277 326 T C 0.076 174.799 174.700 0.038 0.000 0.997 326 T CA -0.851 61.260 62.100 0.019 0.000 0.966 326 T CB 1.209 70.085 68.868 0.013 0.000 1.312 326 T HN 0.473 nan 8.240 nan 0.000 0.598 327 G N -0.937 107.890 108.800 0.046 0.000 2.623 327 G HA2 0.636 4.597 3.960 0.001 0.000 0.290 327 G HA3 0.636 4.597 3.960 0.001 0.000 0.290 327 G C -1.913 173.019 174.900 0.053 0.000 1.437 327 G CA -0.873 44.251 45.100 0.040 0.000 0.798 327 G HN 0.833 nan 8.290 nan 0.000 0.488 328 L N -0.729 120.525 121.223 0.052 0.000 2.309 328 L HA 0.541 4.882 4.340 0.001 0.000 0.240 328 L C 0.668 177.564 176.870 0.043 0.000 1.136 328 L CA -1.060 53.804 54.840 0.040 0.000 0.985 328 L CB 1.351 43.429 42.059 0.032 0.000 1.572 328 L HN 0.545 nan 8.230 nan 0.000 0.426 329 L N 0.421 121.663 121.223 0.033 0.000 2.298 329 L HA -0.181 4.160 4.340 0.001 0.000 0.273 329 L C -1.853 175.044 176.870 0.046 0.000 1.366 329 L CA 0.100 54.959 54.840 0.033 0.000 0.806 329 L CB -1.197 40.877 42.059 0.024 0.000 0.998 329 L HN 0.522 nan 8.230 nan 0.000 0.700 330 P HA -0.271 nan 4.420 nan 0.000 0.299 330 P C -0.850 176.499 177.300 0.082 0.000 1.970 330 P CA 0.225 63.362 63.100 0.061 0.000 1.765 330 P CB -0.119 31.612 31.700 0.051 0.000 0.237 331 L N -3.069 118.209 121.223 0.091 0.000 4.201 331 L HA -0.178 4.163 4.340 0.001 0.000 0.552 331 L C 0.679 177.644 176.870 0.158 0.000 0.984 331 L CA 0.339 55.247 54.840 0.114 0.000 0.779 331 L CB -1.027 41.085 42.059 0.088 0.000 0.667 331 L HN 0.288 nan 8.230 nan 0.000 0.967 332 V N 2.950 123.008 119.914 0.239 0.000 2.275 332 V HA 0.160 4.281 4.120 0.001 0.000 0.272 332 V C 1.072 177.383 176.094 0.362 0.000 1.028 332 V CA 0.405 62.874 62.300 0.282 0.000 0.810 332 V CB 1.594 33.564 31.823 0.245 0.000 1.043 332 V HN 0.724 nan 8.190 nan 0.000 0.453 333 T N 3.437 118.109 114.554 0.197 0.000 3.160 333 T HA -0.047 4.304 4.350 0.001 0.000 0.257 333 T C 1.132 175.940 174.700 0.180 0.000 1.147 333 T CA 1.661 63.849 62.100 0.148 0.000 1.064 333 T CB -0.212 68.707 68.868 0.084 0.000 0.949 333 T HN 1.044 nan 8.240 nan 0.000 0.526 334 D N 1.078 121.596 120.400 0.196 0.000 2.119 334 D HA 0.144 4.785 4.640 0.001 0.000 0.231 334 D C 0.906 177.276 176.300 0.117 0.000 0.999 334 D CA 0.773 54.847 54.000 0.124 0.000 0.915 334 D CB -0.177 40.660 40.800 0.062 0.000 1.017 334 D HN 0.394 nan 8.370 nan 0.000 0.437 335 S N -2.117 113.583 115.700 -0.001 0.000 2.656 335 S HA 0.390 4.860 4.470 0.001 0.000 0.265 335 S C -1.775 172.574 174.600 -0.417 0.000 1.132 335 S CA -1.196 56.938 58.200 -0.110 0.000 0.819 335 S CB 0.310 63.478 63.200 -0.052 0.000 1.119 335 S HN 0.315 nan 8.310 nan 0.000 0.476 336 L N 1.942 122.953 121.223 -0.353 0.000 2.329 336 L HA 0.509 4.850 4.340 0.001 0.000 0.279 336 L C -1.395 175.341 176.870 -0.223 0.000 1.014 336 L CA -2.321 52.268 54.840 -0.418 0.000 0.814 336 L CB 2.145 43.921 42.059 -0.471 0.000 1.257 336 L HN 0.699 nan 8.230 nan 0.000 0.424 337 P HA -0.074 nan 4.420 nan 0.000 0.210 337 P C 0.871 178.114 177.300 -0.095 0.000 1.192 337 P CA 0.690 63.706 63.100 -0.139 0.000 0.913 337 P CB 0.334 31.944 31.700 -0.149 0.000 0.774 338 M N -3.181 116.367 119.600 -0.086 0.000 2.943 338 M HA -0.247 4.234 4.480 0.001 0.000 0.198 338 M C 0.975 177.244 176.300 -0.051 0.000 0.606 338 M CA 0.863 56.132 55.300 -0.051 0.000 0.744 338 M CB -0.541 32.038 32.600 -0.035 0.000 2.671 338 M HN -0.055 nan 8.290 nan 0.000 0.342 339 R N 0.264 120.719 120.500 -0.074 0.000 1.864 339 R HA 0.530 4.870 4.340 0.001 0.000 0.174 339 R C 0.746 176.993 176.300 -0.090 0.000 1.773 339 R CA 0.771 56.825 56.100 -0.077 0.000 1.381 339 R CB 0.197 30.441 30.300 -0.093 0.000 1.066 339 R HN 0.248 nan 8.270 nan 0.000 0.482 340 L N -0.438 120.699 121.223 -0.143 0.000 7.603 340 L HA -0.290 4.051 4.340 0.001 0.000 0.092 340 L C -0.425 176.336 176.870 -0.182 0.000 1.252 340 L CA 1.165 55.880 54.840 -0.208 0.000 1.482 340 L CB -1.485 40.508 42.059 -0.109 0.000 2.830 340 L HN 0.368 nan 8.230 nan 0.000 1.159 341 L N 3.317 124.448 121.223 -0.153 0.000 2.640 341 L HA 0.014 4.354 4.340 0.001 0.000 0.300 341 L C -1.691 175.167 176.870 -0.020 0.000 1.259 341 L CA 0.118 54.936 54.840 -0.036 0.000 0.879 341 L CB -0.301 41.820 42.059 0.103 0.000 1.125 341 L HN 0.488 nan 8.230 nan 0.000 0.507 342 P HA -0.009 nan 4.420 nan 0.000 0.270 342 P C 0.326 177.634 177.300 0.013 0.000 1.227 342 P CA -0.145 62.953 63.100 -0.004 0.000 0.788 342 P CB 0.058 31.762 31.700 0.007 0.000 0.926 343 T N -1.533 113.024 114.554 0.005 0.000 3.209 343 T HA -0.210 4.141 4.350 0.001 0.000 0.270 343 T C 0.810 175.523 174.700 0.022 0.000 1.234 343 T CA 0.878 62.983 62.100 0.009 0.000 1.082 343 T CB -1.392 67.478 68.868 0.003 0.000 0.766 343 T HN 0.611 nan 8.240 nan 0.000 0.649 344 E N 0.415 120.638 120.200 0.038 0.000 2.409 344 E HA 0.589 4.940 4.350 0.001 0.000 0.257 344 E C -0.050 176.588 176.600 0.063 0.000 1.150 344 E CA -0.684 55.750 56.400 0.057 0.000 0.942 344 E CB 0.886 30.633 29.700 0.078 0.000 0.979 344 E HN 0.387 nan 8.360 nan 0.000 0.447 345 I N 0.526 121.140 120.570 0.074 0.000 3.334 345 I HA 0.322 4.493 4.170 0.001 0.000 0.316 345 I C -1.661 174.528 176.117 0.120 0.000 1.251 345 I CA -1.384 59.948 61.300 0.054 0.000 0.929 345 I CB 1.973 39.982 38.000 0.015 0.000 1.317 345 I HN 1.000 nan 8.210 nan 0.000 0.479 346 M N 2.475 122.160 119.600 0.142 0.000 4.020 346 M HA 0.279 4.760 4.480 0.001 0.000 0.158 346 M C -1.410 174.848 176.300 -0.070 0.000 1.525 346 M CA 0.368 55.669 55.300 0.001 0.000 1.089 346 M CB -1.514 31.001 32.600 -0.142 0.000 1.350 346 M HN 0.659 nan 8.290 nan 0.000 0.225 347 A N 2.350 125.117 122.820 -0.088 0.000 3.827 347 A HA 1.129 5.450 4.320 0.001 0.000 0.199 347 A C 0.232 177.373 177.584 -0.738 0.000 0.867 347 A CA -0.249 51.586 52.037 -0.337 0.000 0.776 347 A CB 0.709 19.527 19.000 -0.305 0.000 1.446 347 A HN 1.824 nan 8.150 nan 0.000 0.768 348 G N -1.297 106.634 108.800 -1.448 0.000 2.827 348 G HA2 0.514 4.475 3.960 0.001 0.000 0.296 348 G HA3 0.514 4.475 3.960 0.001 0.000 0.296 348 G C -0.984 173.351 174.900 -0.942 0.000 1.362 348 G CA 0.282 44.604 45.100 -1.296 0.000 0.809 348 G HN 0.922 nan 8.290 nan 0.000 0.522 349 S N 1.285 116.658 115.700 -0.545 0.000 2.525 349 S HA 0.659 5.130 4.470 0.001 0.000 0.278 349 S C -2.237 172.396 174.600 0.056 0.000 1.234 349 S CA -1.153 56.939 58.200 -0.179 0.000 1.058 349 S CB 1.240 64.394 63.200 -0.076 0.000 0.983 349 S HN 0.433 nan 8.310 nan 0.000 0.495 350 P HA 0.306 nan 4.420 nan 0.000 0.282 350 P C 0.343 177.764 177.300 0.202 0.000 1.249 350 P CA -0.473 62.786 63.100 0.265 0.000 0.806 350 P CB 0.759 32.601 31.700 0.236 0.000 0.984 351 I N -0.833 119.874 120.570 0.228 0.000 4.139 351 I HA 0.436 4.607 4.170 0.001 0.000 0.335 351 I C 0.622 176.817 176.117 0.130 0.000 1.327 351 I CA 0.004 61.399 61.300 0.158 0.000 1.112 351 I CB 0.388 38.480 38.000 0.154 0.000 1.058 351 I HN 0.160 nan 8.210 nan 0.000 0.396 352 R N 0.233 120.831 120.500 0.163 0.000 2.680 352 R HA 0.637 4.978 4.340 0.001 0.000 0.269 352 R C -1.481 174.914 176.300 0.159 0.000 1.026 352 R CA -0.436 55.740 56.100 0.127 0.000 0.889 352 R CB 2.342 32.706 30.300 0.107 0.000 1.241 352 R HN 0.141 nan 8.270 nan 0.000 0.463 353 S N 1.075 116.831 115.700 0.092 0.000 2.599 353 S HA 0.720 5.191 4.470 0.001 0.000 0.294 353 S C -1.283 173.300 174.600 -0.029 0.000 1.094 353 S CA -0.762 57.485 58.200 0.079 0.000 0.931 353 S CB 1.738 64.971 63.200 0.054 0.000 1.093 353 S HN 0.522 nan 8.310 nan 0.000 0.488 354 R N 0.675 121.111 120.500 -0.106 0.000 2.707 354 R HA 0.469 4.810 4.340 0.001 0.000 0.272 354 R C -2.040 174.102 176.300 -0.264 0.000 1.011 354 R CA -0.886 55.038 56.100 -0.294 0.000 0.893 354 R CB 1.589 31.484 30.300 -0.676 0.000 1.233 354 R HN 0.454 nan 8.270 nan 0.000 0.464 355 D N 1.464 121.712 120.400 -0.252 0.000 2.440 355 D HA 0.320 4.961 4.640 0.001 0.000 0.239 355 D C -0.755 175.414 176.300 -0.219 0.000 1.084 355 D CA -0.369 53.518 54.000 -0.188 0.000 0.843 355 D CB 0.951 41.678 40.800 -0.121 0.000 1.097 355 D HN 0.213 nan 8.370 nan 0.000 0.531 356 I N 2.565 122.997 120.570 -0.229 0.000 2.312 356 I HA 0.247 4.418 4.170 0.001 0.000 0.290 356 I C 0.061 176.080 176.117 -0.164 0.000 1.008 356 I CA -0.418 60.758 61.300 -0.206 0.000 1.226 356 I CB 0.926 38.765 38.000 -0.267 0.000 1.371 356 I HN 0.256 nan 8.210 nan 0.000 0.468 357 S N 7.542 123.189 115.700 -0.088 0.000 2.530 357 S HA 0.729 5.200 4.470 0.001 0.000 0.322 357 S C -0.188 174.392 174.600 -0.033 0.000 1.085 357 S CA -0.521 57.635 58.200 -0.072 0.000 1.096 357 S CB 0.529 63.698 63.200 -0.052 0.000 0.988 357 S HN 0.428 nan 8.310 nan 0.000 0.466 358 L N 3.855 125.046 121.223 -0.053 0.000 2.805 358 L HA 0.944 5.285 4.340 0.001 0.000 0.242 358 L C 1.261 178.117 176.870 -0.024 0.000 1.180 358 L CA -0.685 54.147 54.840 -0.014 0.000 1.001 358 L CB 0.537 42.586 42.059 -0.017 0.000 1.864 358 L HN 0.775 nan 8.230 nan 0.000 0.551 359 G N -0.946 107.845 108.800 -0.015 0.000 2.637 359 G HA2 0.058 4.019 3.960 0.001 0.000 0.112 359 G HA3 0.058 4.019 3.960 0.001 0.000 0.112 359 G C -0.704 174.188 174.900 -0.013 0.000 1.181 359 G CA 0.431 45.520 45.100 -0.019 0.000 1.150 359 G HN 0.540 nan 8.290 nan 0.000 0.561 360 D N 0.267 120.664 120.400 -0.005 0.000 2.277 360 D HA 0.148 4.789 4.640 0.001 0.000 0.209 360 D C -0.235 176.070 176.300 0.008 0.000 0.970 360 D CA 0.770 54.770 54.000 -0.001 0.000 0.874 360 D CB 0.338 41.138 40.800 -0.001 0.000 0.982 360 D HN 0.234 nan 8.370 nan 0.000 0.504 361 D N 0.506 120.913 120.400 0.012 0.000 2.497 361 D HA 0.402 5.043 4.640 0.001 0.000 0.243 361 D C -2.511 173.807 176.300 0.030 0.000 1.039 361 D CA -1.662 52.350 54.000 0.020 0.000 1.052 361 D CB 1.162 41.972 40.800 0.018 0.000 1.344 361 D HN -0.150 nan 8.370 nan 0.000 0.553 362 P HA 0.397 nan 4.420 nan 0.000 0.269 362 P C -0.015 177.319 177.300 0.057 0.000 1.209 362 P CA 0.312 63.441 63.100 0.050 0.000 0.776 362 P CB 0.438 32.168 31.700 0.050 0.000 0.876 363 G N 1.133 109.977 108.800 0.073 0.000 2.515 363 G HA2 0.022 3.983 3.960 0.001 0.000 0.686 363 G HA3 0.022 3.983 3.960 0.001 0.000 0.686 363 G C -1.459 173.496 174.900 0.092 0.000 1.274 363 G CA -0.903 44.247 45.100 0.084 0.000 0.874 363 G HN 0.464 nan 8.290 nan 0.000 0.631 364 I N 1.198 121.835 120.570 0.111 0.000 2.418 364 I HA 0.375 4.546 4.170 0.001 0.000 0.287 364 I C 0.210 176.388 176.117 0.101 0.000 1.008 364 I CA -0.841 60.537 61.300 0.130 0.000 1.104 364 I CB 1.808 39.942 38.000 0.223 0.000 1.264 364 I HN 0.580 nan 8.210 nan 0.000 0.438 365 N N 4.457 123.193 118.700 0.061 0.000 2.754 365 N HA -0.170 4.571 4.740 0.001 0.000 0.248 365 N C 0.809 176.338 175.510 0.032 0.000 1.093 365 N CA 1.395 54.466 53.050 0.034 0.000 0.699 365 N CB -1.175 37.334 38.487 0.037 0.000 1.016 365 N HN 1.165 nan 8.380 nan 0.000 0.552 366 G N -1.056 107.764 108.800 0.033 0.000 2.179 366 G HA2 -0.331 3.630 3.960 0.001 0.000 0.257 366 G HA3 -0.331 3.630 3.960 0.001 0.000 0.257 366 G C -0.272 174.649 174.900 0.035 0.000 1.010 366 G CA 0.696 45.812 45.100 0.028 0.000 0.736 366 G HN 0.566 nan 8.290 nan 0.000 0.513 367 Q N -0.825 119.006 119.800 0.052 0.000 2.347 367 Q HA 0.630 4.971 4.340 0.001 0.000 0.271 367 Q C 0.095 176.142 176.000 0.078 0.000 1.064 367 Q CA -0.842 54.995 55.803 0.056 0.000 0.800 367 Q CB 2.166 30.939 28.738 0.058 0.000 1.304 367 Q HN 0.283 nan 8.270 nan 0.000 0.438 368 L N 1.021 122.287 121.223 0.071 0.000 2.399 368 L HA 0.347 4.688 4.340 0.001 0.000 0.266 368 L C 0.008 176.962 176.870 0.140 0.000 1.114 368 L CA -0.714 54.188 54.840 0.103 0.000 0.804 368 L CB 0.438 42.544 42.059 0.078 0.000 1.146 368 L HN 0.681 nan 8.230 nan 0.000 0.451 369 W N 3.585 124.883 121.300 -0.003 0.000 2.314 369 W HA -0.015 4.646 4.660 0.002 0.000 0.339 369 W C -0.129 176.389 176.519 -0.002 0.000 1.293 369 W CA 0.272 57.611 57.345 -0.010 0.000 1.288 369 W CB 0.159 29.602 29.460 -0.030 0.000 1.186 369 W HN 0.341 nan 8.180 nan 0.000 0.566 370 D N 4.900 124.901 120.400 -0.664 0.000 2.616 370 D HA 0.034 4.675 4.640 0.001 0.000 0.238 370 D C 0.745 176.556 176.300 -0.816 0.000 1.354 370 D CA -0.246 53.347 54.000 -0.678 0.000 0.970 370 D CB 1.270 41.905 40.800 -0.276 0.000 1.369 370 D HN 0.326 nan 8.370 nan 0.000 0.585 371 V N 2.383 121.672 119.914 -1.042 0.000 2.688 371 V HA -0.118 4.003 4.120 0.001 0.000 0.256 371 V C 0.727 176.688 176.094 -0.223 0.000 1.084 371 V CA 1.677 63.639 62.300 -0.564 0.000 1.103 371 V CB -0.656 30.889 31.823 -0.464 0.000 0.688 371 V HN 0.442 nan 8.190 nan 0.000 0.480 372 N N 0.035 118.602 118.700 -0.222 0.000 2.235 372 N HA 0.247 4.988 4.740 0.001 0.000 0.209 372 N C 0.414 175.879 175.510 -0.074 0.000 1.122 372 N CA -0.152 52.829 53.050 -0.115 0.000 0.845 372 N CB 0.254 38.675 38.487 -0.111 0.000 1.004 372 N HN 0.510 nan 8.380 nan 0.000 0.499 373 R N 1.379 121.834 120.500 -0.076 0.000 2.437 373 R HA 0.339 4.680 4.340 0.001 0.000 0.310 373 R C -1.240 175.082 176.300 0.036 0.000 0.955 373 R CA -0.576 55.511 56.100 -0.022 0.000 0.851 373 R CB 0.741 31.022 30.300 -0.031 0.000 1.161 373 R HN -0.046 nan 8.270 nan 0.000 0.446 374 I N 4.909 125.508 120.570 0.049 0.000 2.297 374 I HA 0.088 4.259 4.170 0.001 0.000 0.291 374 I C 0.590 176.771 176.117 0.106 0.000 1.033 374 I CA -0.086 61.264 61.300 0.083 0.000 1.253 374 I CB 1.419 39.452 38.000 0.055 0.000 1.396 374 I HN 0.752 nan 8.210 nan 0.000 0.476 375 D N 4.857 125.369 120.400 0.186 0.000 2.271 375 D HA 0.054 4.695 4.640 0.001 0.000 0.206 375 D C 0.278 176.678 176.300 0.166 0.000 0.967 375 D CA 1.115 55.243 54.000 0.215 0.000 0.867 375 D CB 1.165 42.189 40.800 0.373 0.000 0.960 375 D HN 0.206 nan 8.370 nan 0.000 0.509 376 V N 0.555 120.582 119.914 0.189 0.000 2.808 376 V HA 0.286 4.407 4.120 0.001 0.000 0.308 376 V C -0.642 175.487 176.094 0.058 0.000 1.099 376 V CA -0.705 61.638 62.300 0.072 0.000 0.920 376 V CB 2.388 34.211 31.823 -0.000 0.000 1.014 376 V HN -0.133 nan 8.190 nan 0.000 0.425 377 T N 3.008 117.548 114.554 -0.022 0.000 2.934 377 T HA 0.778 5.129 4.350 0.001 0.000 0.328 377 T C -0.050 174.562 174.700 -0.147 0.000 1.068 377 T CA -0.194 61.865 62.100 -0.068 0.000 1.018 377 T CB 1.465 70.299 68.868 -0.057 0.000 1.009 377 T HN 1.001 nan 8.240 nan 0.000 0.471 378 A N 2.610 125.271 122.820 -0.264 0.000 2.282 378 A HA 0.826 5.147 4.320 0.001 0.000 0.324 378 A C -0.407 176.954 177.584 -0.371 0.000 1.119 378 A CA -0.858 50.893 52.037 -0.476 0.000 0.880 378 A CB 1.289 19.535 19.000 -1.257 0.000 1.294 378 A HN 0.649 nan 8.150 nan 0.000 0.493 379 Q N 0.499 120.094 119.800 -0.342 0.000 2.316 379 Q HA 0.264 4.605 4.340 0.001 0.000 0.264 379 Q C -0.740 175.159 176.000 -0.169 0.000 0.987 379 Q CA -0.465 55.220 55.803 -0.196 0.000 0.852 379 Q CB 1.277 29.951 28.738 -0.105 0.000 1.287 379 Q HN 0.802 nan 8.270 nan 0.000 0.448 380 Q N 1.436 121.152 119.800 -0.141 0.000 2.286 380 Q HA 0.119 4.460 4.340 0.001 0.000 0.290 380 Q C 0.383 176.314 176.000 -0.114 0.000 1.049 380 Q CA 1.507 57.235 55.803 -0.125 0.000 0.923 380 Q CB 0.187 28.858 28.738 -0.110 0.000 1.183 380 Q HN 1.013 nan 8.270 nan 0.000 0.383 381 G N 2.519 111.185 108.800 -0.223 0.000 2.137 381 G HA2 -0.244 3.717 3.960 0.001 0.000 0.237 381 G HA3 -0.244 3.717 3.960 0.001 0.000 0.237 381 G C -0.025 174.888 174.900 0.020 0.000 1.002 381 G CA 0.336 45.369 45.100 -0.111 0.000 0.702 381 G HN 0.795 nan 8.290 nan 0.000 0.515 382 T N -3.269 111.248 114.554 -0.061 0.000 2.926 382 T HA 0.715 5.066 4.350 0.001 0.000 0.289 382 T C -0.556 174.227 174.700 0.137 0.000 1.054 382 T CA -0.983 61.203 62.100 0.143 0.000 1.015 382 T CB 2.017 70.980 68.868 0.158 0.000 1.167 382 T HN 0.456 nan 8.240 nan 0.000 0.526 383 W N 0.397 121.898 121.300 0.335 0.000 2.632 383 W HA 0.637 5.298 4.660 0.002 0.000 0.328 383 W C 0.106 176.817 176.519 0.320 0.000 1.044 383 W CA -0.504 57.034 57.345 0.323 0.000 1.225 383 W CB 1.533 31.147 29.460 0.255 0.000 1.396 383 W HN 0.718 nan 8.180 nan 0.000 0.499 384 E N 1.553 122.096 120.200 0.571 0.000 2.343 384 E HA 0.416 4.767 4.350 0.001 0.000 0.270 384 E C -1.112 175.763 176.600 0.457 0.000 0.895 384 E CA -1.538 55.185 56.400 0.538 0.000 0.767 384 E CB 2.824 32.995 29.700 0.784 0.000 1.248 384 E HN 0.300 nan 8.360 nan 0.000 0.440 385 R N 2.245 122.989 120.500 0.407 0.000 2.275 385 R HA 0.239 4.580 4.340 0.001 0.000 0.326 385 R C -1.484 175.047 176.300 0.385 0.000 0.973 385 R CA -0.543 55.748 56.100 0.318 0.000 0.854 385 R CB 0.505 30.920 30.300 0.191 0.000 1.156 385 R HN 0.370 nan 8.270 nan 0.000 0.487 386 W N 2.922 124.233 121.300 0.018 0.000 2.361 386 W HA 0.296 4.957 4.660 0.001 0.000 0.309 386 W C -0.177 176.288 176.519 -0.089 0.000 1.122 386 W CA -0.425 56.898 57.345 -0.038 0.000 1.208 386 W CB 2.079 31.505 29.460 -0.056 0.000 1.246 386 W HN 0.350 nan 8.180 nan 0.000 0.490 387 T N 3.812 118.393 114.554 0.044 0.000 2.753 387 T HA 0.438 4.789 4.350 0.001 0.000 0.297 387 T C -0.376 174.262 174.700 -0.102 0.000 0.981 387 T CA -0.468 61.615 62.100 -0.028 0.000 0.956 387 T CB 0.504 69.349 68.868 -0.039 0.000 0.936 387 T HN 0.033 nan 8.240 nan 0.000 0.463 388 V N 5.516 125.347 119.914 -0.138 0.000 2.435 388 V HA 0.570 4.690 4.120 0.001 0.000 0.290 388 V C 0.286 176.261 176.094 -0.199 0.000 1.030 388 V CA -0.927 61.217 62.300 -0.260 0.000 0.881 388 V CB 1.334 32.887 31.823 -0.451 0.000 0.983 388 V HN 0.734 nan 8.190 nan 0.000 0.445 389 R N 2.633 123.015 120.500 -0.195 0.000 2.854 389 R HA 0.934 5.275 4.340 0.001 0.000 0.271 389 R C -0.932 175.281 176.300 -0.145 0.000 0.994 389 R CA -0.866 55.149 56.100 -0.141 0.000 0.945 389 R CB 2.436 32.674 30.300 -0.103 0.000 1.194 389 R HN 0.823 nan 8.270 nan 0.000 0.476 390 A N 1.153 123.899 122.820 -0.124 0.000 2.518 390 A HA 0.234 4.555 4.320 0.001 0.000 0.295 390 A C -0.730 176.796 177.584 -0.097 0.000 1.052 390 A CA -0.757 51.209 52.037 -0.118 0.000 0.824 390 A CB 1.100 20.002 19.000 -0.164 0.000 1.325 390 A HN 0.735 nan 8.150 nan 0.000 0.394 391 D N 0.817 121.177 120.400 -0.067 0.000 2.103 391 D HA -0.039 4.602 4.640 0.001 0.000 0.199 391 D C 0.498 176.770 176.300 -0.048 0.000 0.978 391 D CA 1.486 55.458 54.000 -0.047 0.000 0.829 391 D CB 0.321 41.103 40.800 -0.030 0.000 0.981 391 D HN 0.649 nan 8.370 nan 0.000 0.464 392 E N 1.382 121.550 120.200 -0.053 0.000 2.130 392 E HA 0.230 4.581 4.350 0.001 0.000 0.284 392 E C -2.561 173.971 176.600 -0.114 0.000 1.018 392 E CA -2.548 53.823 56.400 -0.048 0.000 0.817 392 E CB 1.261 30.947 29.700 -0.023 0.000 1.078 392 E HN -0.149 nan 8.360 nan 0.000 0.396 393 P HA -0.038 nan 4.420 nan 0.000 0.262 393 P C -1.182 175.817 177.300 -0.502 0.000 1.182 393 P CA 0.487 63.369 63.100 -0.363 0.000 0.761 393 P CB 0.295 31.970 31.700 -0.042 0.000 0.795 394 Q N 1.525 120.793 119.800 -0.887 0.000 2.702 394 Q HA 0.719 5.060 4.340 0.001 0.000 0.289 394 Q C -1.782 173.986 176.000 -0.387 0.000 0.923 394 Q CA -1.311 54.198 55.803 -0.490 0.000 0.787 394 Q CB 1.025 29.694 28.738 -0.114 0.000 1.476 394 Q HN 0.308 nan 8.270 nan 0.000 0.402 395 A N 1.068 123.945 122.820 0.095 0.000 2.316 395 A HA 0.734 5.055 4.320 0.001 0.000 0.284 395 A C -1.394 176.381 177.584 0.318 0.000 1.115 395 A CA -0.377 51.830 52.037 0.284 0.000 0.812 395 A CB 0.431 19.659 19.000 0.381 0.000 1.064 395 A HN 0.593 nan 8.150 nan 0.000 0.489 396 F N 0.952 121.018 119.950 0.194 0.000 2.540 396 F HA 0.607 5.134 4.527 0.001 0.000 0.317 396 F C -0.385 175.618 175.800 0.338 0.000 1.104 396 F CA -0.436 57.699 58.000 0.226 0.000 0.913 396 F CB 1.743 40.840 39.000 0.163 0.000 1.170 396 F HN 0.840 nan 8.300 nan 0.000 0.450 397 H N 5.087 123.900 119.070 -0.429 0.000 2.747 397 H HA 0.747 5.304 4.556 0.001 0.000 0.371 397 H C -1.533 173.571 175.328 -0.374 0.000 1.161 397 H CA -0.705 55.213 56.048 -0.216 0.000 1.167 397 H CB 1.850 31.603 29.762 -0.016 0.000 1.732 397 H HN 0.562 nan 8.280 nan 0.000 0.544 398 I N 3.137 123.236 120.570 -0.786 0.000 2.512 398 I HA 0.214 4.385 4.170 0.001 0.000 0.287 398 I C -0.436 175.389 176.117 -0.486 0.000 1.069 398 I CA -0.720 60.349 61.300 -0.385 0.000 1.056 398 I CB 2.065 39.925 38.000 -0.233 0.000 1.229 398 I HN 0.553 nan 8.210 nan 0.000 0.429 399 E N 3.371 123.494 120.200 -0.129 0.000 2.371 399 E HA 0.310 4.661 4.350 0.001 0.000 0.257 399 E C 0.971 177.186 176.600 -0.641 0.000 1.134 399 E CA 0.101 56.397 56.400 -0.173 0.000 0.919 399 E CB 0.793 30.549 29.700 0.093 0.000 1.025 399 E HN 0.923 nan 8.360 nan 0.000 0.438 400 G N 0.229 108.500 108.800 -0.882 0.000 2.296 400 G HA2 -0.257 3.704 3.960 0.001 0.000 0.282 400 G HA3 -0.257 3.704 3.960 0.001 0.000 0.282 400 G C 0.077 174.530 174.900 -0.744 0.000 1.014 400 G CA 0.888 45.225 45.100 -1.271 0.000 0.812 400 G HN 0.517 nan 8.290 nan 0.000 0.508 401 V N -3.565 116.030 119.914 -0.533 0.000 3.181 401 V HA 0.956 5.077 4.120 0.001 0.000 0.307 401 V C -0.386 175.464 176.094 -0.407 0.000 1.310 401 V CA -0.595 61.421 62.300 -0.473 0.000 1.067 401 V CB 2.314 33.803 31.823 -0.557 0.000 1.081 401 V HN 1.209 nan 8.190 nan 0.000 0.453 402 M N 2.232 121.603 119.600 -0.382 0.000 2.371 402 M HA 0.838 5.319 4.480 0.001 0.000 0.287 402 M C -1.618 174.662 176.300 -0.034 0.000 1.149 402 M CA -0.425 54.684 55.300 -0.319 0.000 0.929 402 M CB 2.110 34.463 32.600 -0.412 0.000 1.683 402 M HN 1.076 nan 8.290 nan 0.000 0.470 403 F N 0.072 120.149 119.950 0.212 0.000 2.706 403 F HA 0.796 5.324 4.527 0.001 0.000 0.328 403 F C -1.259 174.745 175.800 0.340 0.000 1.123 403 F CA -0.837 57.350 58.000 0.311 0.000 0.978 403 F CB 1.719 40.741 39.000 0.038 0.000 1.404 403 F HN 0.862 nan 8.300 nan 0.000 0.497 404 Q N 1.936 122.058 119.800 0.537 0.000 2.292 404 Q HA 0.460 4.801 4.340 0.001 0.000 0.270 404 Q C -1.559 174.579 176.000 0.231 0.000 1.024 404 Q CA -0.673 55.229 55.803 0.165 0.000 0.768 404 Q CB 1.991 30.575 28.738 -0.257 0.000 1.250 404 Q HN 0.852 nan 8.270 nan 0.000 0.447 405 I N 4.432 125.148 120.570 0.243 0.000 2.662 405 I HA -0.044 4.127 4.170 0.001 0.000 0.285 405 I C 1.288 177.445 176.117 0.065 0.000 1.161 405 I CA 0.428 61.824 61.300 0.159 0.000 1.415 405 I CB 0.506 38.616 38.000 0.183 0.000 1.385 405 I HN 0.766 nan 8.210 nan 0.000 0.552 406 R N 4.428 124.953 120.500 0.041 0.000 2.123 406 R HA 0.202 4.543 4.340 0.001 0.000 0.209 406 R C 0.128 176.428 176.300 -0.001 0.000 1.078 406 R CA 0.518 56.624 56.100 0.010 0.000 1.028 406 R CB 0.490 30.799 30.300 0.015 0.000 0.939 406 R HN 0.636 nan 8.270 nan 0.000 0.463 407 N N -0.515 118.189 118.700 0.005 0.000 2.331 407 N HA 0.248 4.989 4.740 0.001 0.000 0.280 407 N C -1.840 173.673 175.510 0.005 0.000 1.155 407 N CA -0.427 52.620 53.050 -0.005 0.000 0.822 407 N CB 2.985 41.466 38.487 -0.010 0.000 1.619 407 N HN -0.191 nan 8.380 nan 0.000 0.476 408 V N 2.797 122.711 119.914 -0.001 0.000 2.385 408 V HA 0.333 4.453 4.120 0.001 0.000 0.277 408 V C -0.086 176.013 176.094 0.008 0.000 1.012 408 V CA -0.738 61.574 62.300 0.020 0.000 0.832 408 V CB 0.536 32.389 31.823 0.051 0.000 1.028 408 V HN 0.724 nan 8.190 nan 0.000 0.436 409 N N 3.791 122.494 118.700 0.004 0.000 2.783 409 N HA -0.193 4.548 4.740 0.001 0.000 0.247 409 N C 1.260 176.765 175.510 -0.008 0.000 1.089 409 N CA 1.415 54.465 53.050 0.000 0.000 0.690 409 N CB -1.052 37.444 38.487 0.015 0.000 0.991 409 N HN 1.462 nan 8.380 nan 0.000 0.552 410 G N -2.147 106.645 108.800 -0.013 0.000 2.189 410 G HA2 -0.204 3.757 3.960 0.001 0.000 0.267 410 G HA3 -0.204 3.757 3.960 0.001 0.000 0.267 410 G C 0.341 175.226 174.900 -0.024 0.000 0.975 410 G CA 1.265 46.355 45.100 -0.017 0.000 0.644 410 G HN 1.194 nan 8.290 nan 0.000 0.537 411 A N -0.610 122.192 122.820 -0.030 0.000 2.261 411 A HA 0.891 5.212 4.320 0.001 0.000 0.323 411 A C 0.317 177.860 177.584 -0.069 0.000 1.107 411 A CA 0.012 52.017 52.037 -0.053 0.000 0.883 411 A CB 0.939 19.902 19.000 -0.061 0.000 1.251 411 A HN 0.710 nan 8.150 nan 0.000 0.502 412 M N 1.446 120.983 119.600 -0.106 0.000 2.250 412 M HA 0.358 4.839 4.480 0.001 0.000 0.344 412 M C -2.098 174.093 176.300 -0.182 0.000 1.150 412 M CA -1.715 53.514 55.300 -0.118 0.000 1.147 412 M CB 1.176 33.704 32.600 -0.120 0.000 1.498 412 M HN 0.484 nan 8.290 nan 0.000 0.461 413 P HA 0.219 nan 4.420 nan 0.000 0.276 413 P C -1.143 176.072 177.300 -0.141 0.000 1.244 413 P CA -0.156 62.895 63.100 -0.081 0.000 0.801 413 P CB 0.306 32.028 31.700 0.035 0.000 1.006 414 F N 0.986 120.963 119.950 0.044 0.000 2.496 414 F HA 0.098 4.626 4.527 0.001 0.000 0.344 414 F C -0.804 175.014 175.800 0.029 0.000 1.155 414 F CA -1.035 56.987 58.000 0.036 0.000 1.302 414 F CB -0.704 38.320 39.000 0.041 0.000 1.159 414 F HN 0.343 nan 8.300 nan 0.000 0.595 415 P HA -0.297 nan 4.420 nan 0.000 0.218 415 P C 1.399 178.768 177.300 0.114 0.000 1.154 415 P CA 2.060 65.229 63.100 0.115 0.000 0.872 415 P CB -0.135 31.636 31.700 0.118 0.000 0.790 416 E N -0.197 120.098 120.200 0.158 0.000 2.204 416 E HA -0.209 4.142 4.350 0.001 0.000 0.195 416 E C 0.712 177.385 176.600 0.121 0.000 0.990 416 E CA 1.343 57.817 56.400 0.124 0.000 0.821 416 E CB -0.728 29.032 29.700 0.100 0.000 0.750 416 E HN 0.239 nan 8.360 nan 0.000 0.477 417 D N 0.657 121.153 120.400 0.161 0.000 2.339 417 D HA 0.053 4.694 4.640 0.001 0.000 0.217 417 D C 1.277 177.634 176.300 0.094 0.000 1.050 417 D CA 0.045 54.134 54.000 0.149 0.000 0.856 417 D CB -0.031 40.894 40.800 0.207 0.000 0.922 417 D HN 0.231 nan 8.370 nan 0.000 0.518 418 R N 0.637 121.171 120.500 0.057 0.000 2.339 418 R HA 0.116 4.456 4.340 0.001 0.000 0.199 418 R C 1.429 177.672 176.300 -0.094 0.000 1.018 418 R CA 0.090 56.182 56.100 -0.014 0.000 1.036 418 R CB 0.189 30.480 30.300 -0.016 0.000 0.899 418 R HN 0.010 nan 8.270 nan 0.000 0.473 419 G N 0.033 108.796 108.800 -0.061 0.000 2.531 419 G HA2 0.121 4.082 3.960 0.001 0.000 0.253 419 G HA3 0.121 4.082 3.960 0.001 0.000 0.253 419 G C -1.079 173.705 174.900 -0.193 0.000 1.439 419 G CA -0.771 44.257 45.100 -0.120 0.000 1.056 419 G HN 0.164 nan 8.290 nan 0.000 0.555 420 W N 0.099 121.400 121.300 0.001 0.000 2.365 420 W HA 0.623 5.284 4.660 0.002 0.000 0.316 420 W C 0.407 176.836 176.519 -0.149 0.000 1.164 420 W CA -0.367 56.942 57.345 -0.060 0.000 1.204 420 W CB 1.364 30.790 29.460 -0.057 0.000 1.213 420 W HN 0.229 nan 8.180 nan 0.000 0.539 421 K N 0.753 121.133 120.400 -0.033 0.000 2.469 421 K HA 0.215 4.536 4.320 0.001 0.000 0.268 421 K C -0.428 175.649 176.600 -0.871 0.000 1.027 421 K CA -0.702 55.387 56.287 -0.330 0.000 0.893 421 K CB 2.034 34.409 32.500 -0.209 0.000 1.460 421 K HN 0.449 nan 8.250 nan 0.000 0.449 422 D N -1.798 118.230 120.400 -0.619 0.000 2.490 422 D HA 0.092 4.733 4.640 0.001 0.000 0.246 422 D C -0.581 175.645 176.300 -0.123 0.000 1.196 422 D CA -0.018 53.637 54.000 -0.574 0.000 0.812 422 D CB 0.935 41.566 40.800 -0.282 0.000 1.191 422 D HN 0.225 nan 8.370 nan 0.000 0.531 423 T N 0.370 115.001 114.554 0.129 0.000 2.921 423 T HA 0.596 4.947 4.350 0.001 0.000 0.297 423 T C -1.635 173.334 174.700 0.448 0.000 1.013 423 T CA -0.720 61.609 62.100 0.382 0.000 0.990 423 T CB 2.466 71.562 68.868 0.381 0.000 1.023 423 T HN 0.005 nan 8.240 nan 0.000 0.447 424 V N 3.895 124.113 119.914 0.508 0.000 2.925 424 V HA 0.672 4.793 4.120 0.001 0.000 0.311 424 V C -1.464 174.881 176.094 0.418 0.000 1.104 424 V CA -1.018 61.554 62.300 0.453 0.000 0.954 424 V CB 2.169 34.247 31.823 0.425 0.000 1.022 424 V HN 0.965 nan 8.190 nan 0.000 0.427 425 W N 6.813 128.230 121.300 0.195 0.000 2.311 425 W HA 0.612 5.272 4.660 0.001 0.000 0.310 425 W C -1.569 175.029 176.519 0.132 0.000 1.274 425 W CA -0.411 57.024 57.345 0.150 0.000 1.215 425 W CB 1.537 31.064 29.460 0.112 0.000 1.227 425 W HN 0.499 nan 8.180 nan 0.000 0.523 426 V N 6.543 126.127 119.914 -0.549 0.000 2.378 426 V HA 0.085 4.206 4.120 0.001 0.000 0.288 426 V C -0.605 175.089 176.094 -0.665 0.000 1.016 426 V CA -0.360 61.675 62.300 -0.440 0.000 0.840 426 V CB 1.429 33.109 31.823 -0.237 0.000 0.994 426 V HN 0.521 nan 8.190 nan 0.000 0.431 427 D N 3.261 123.419 120.400 -0.403 0.000 2.656 427 D HA 0.564 5.204 4.640 0.001 0.000 0.303 427 D C 0.663 176.909 176.300 -0.091 0.000 1.199 427 D CA 0.795 54.647 54.000 -0.247 0.000 0.797 427 D CB 0.604 41.368 40.800 -0.060 0.000 1.170 427 D HN 0.719 nan 8.370 nan 0.000 0.509 428 G N 1.859 110.596 108.800 -0.106 0.000 3.246 428 G HA2 -0.099 3.862 3.960 0.001 0.000 0.196 428 G HA3 -0.099 3.862 3.960 0.001 0.000 0.196 428 G C -0.214 174.644 174.900 -0.069 0.000 2.019 428 G CA 0.016 45.079 45.100 -0.062 0.000 1.385 428 G HN 0.596 nan 8.290 nan 0.000 0.484 429 Q N -0.302 119.461 119.800 -0.063 0.000 2.616 429 Q HA 0.482 4.823 4.340 0.001 0.000 0.254 429 Q C -1.617 174.356 176.000 -0.044 0.000 0.975 429 Q CA -0.272 55.493 55.803 -0.063 0.000 0.976 429 Q CB 2.244 30.953 28.738 -0.047 0.000 1.594 429 Q HN 1.470 nan 8.270 nan 0.000 0.425 430 V N -0.328 119.553 119.914 -0.056 0.000 3.007 430 V HA 0.747 4.867 4.120 0.001 0.000 0.311 430 V C -1.097 174.974 176.094 -0.038 0.000 1.120 430 V CA -0.774 61.508 62.300 -0.031 0.000 0.980 430 V CB 1.986 33.800 31.823 -0.015 0.000 1.033 430 V HN 0.864 nan 8.190 nan 0.000 0.429 431 E N 2.721 122.910 120.200 -0.018 0.000 2.155 431 E HA 0.648 4.999 4.350 0.001 0.000 0.264 431 E C -1.572 175.024 176.600 -0.007 0.000 0.886 431 E CA -0.682 55.715 56.400 -0.005 0.000 0.752 431 E CB 1.624 31.328 29.700 0.006 0.000 1.133 431 E HN 0.791 nan 8.360 nan 0.000 0.414 432 L N 3.758 124.967 121.223 -0.023 0.000 2.334 432 L HA 0.444 4.785 4.340 0.001 0.000 0.276 432 L C -0.440 176.468 176.870 0.063 0.000 1.014 432 L CA -1.091 53.711 54.840 -0.065 0.000 0.815 432 L CB 1.518 43.324 42.059 -0.423 0.000 1.268 432 L HN 0.399 nan 8.230 nan 0.000 0.428 433 L N 3.963 125.279 121.223 0.155 0.000 2.287 433 L HA 0.415 4.756 4.340 0.001 0.000 0.280 433 L C -0.194 176.916 176.870 0.401 0.000 1.055 433 L CA -0.223 54.782 54.840 0.276 0.000 0.863 433 L CB 1.360 43.566 42.059 0.245 0.000 1.245 433 L HN 0.338 nan 8.230 nan 0.000 0.432 434 V N 4.701 124.735 119.914 0.199 0.000 2.785 434 V HA 0.270 4.391 4.120 0.001 0.000 0.300 434 V C -0.666 175.272 176.094 -0.262 0.000 1.062 434 V CA -0.657 61.565 62.300 -0.131 0.000 1.029 434 V CB 1.672 33.055 31.823 -0.732 0.000 1.024 434 V HN 0.573 nan 8.190 nan 0.000 0.477 435 Y N 3.642 123.461 120.300 -0.801 0.000 2.331 435 Y HA 0.585 5.136 4.550 0.002 0.000 0.326 435 Y C -1.069 174.282 175.900 -0.915 0.000 1.020 435 Y CA -1.532 55.926 58.100 -1.070 0.000 1.136 435 Y CB 1.410 38.976 38.460 -1.490 0.000 1.157 435 Y HN 0.513 nan 8.280 nan 0.000 0.444 436 F N 5.247 124.603 119.950 -0.990 0.000 2.334 436 F HA 0.424 4.952 4.527 0.002 0.000 0.365 436 F C 1.115 176.353 175.800 -0.937 0.000 1.124 436 F CA -0.243 57.320 58.000 -0.728 0.000 1.166 436 F CB 1.095 39.866 39.000 -0.383 0.000 1.355 436 F HN 0.810 nan 8.300 nan 0.000 0.532 437 G N 1.677 110.052 108.800 -0.708 0.000 3.088 437 G HA2 0.092 4.053 3.960 0.001 0.000 0.217 437 G HA3 0.092 4.053 3.960 0.001 0.000 0.217 437 G C 0.430 175.242 174.900 -0.147 0.000 1.159 437 G CA 0.033 44.875 45.100 -0.429 0.000 0.760 437 G HN 0.340 nan 8.290 nan 0.000 0.550 438 Q N 0.238 119.996 119.800 -0.070 0.000 2.387 438 Q HA 0.461 4.802 4.340 0.001 0.000 0.273 438 Q C -2.867 173.239 176.000 0.177 0.000 1.089 438 Q CA -1.920 53.938 55.803 0.092 0.000 0.824 438 Q CB 3.025 31.867 28.738 0.173 0.000 1.367 438 Q HN 0.065 nan 8.270 nan 0.000 0.443 439 P HA 0.387 nan 4.420 nan 0.000 0.292 439 P C -1.124 175.966 177.300 -0.351 0.000 1.308 439 P CA -0.489 62.514 63.100 -0.162 0.000 0.933 439 P CB 1.846 33.361 31.700 -0.307 0.000 1.217 440 S N -0.067 115.268 115.700 -0.607 0.000 2.651 440 S HA 0.693 5.164 4.470 0.001 0.000 0.279 440 S C -1.351 172.931 174.600 -0.531 0.000 1.148 440 S CA -0.734 57.114 58.200 -0.588 0.000 0.837 440 S CB 1.566 64.217 63.200 -0.916 0.000 1.138 440 S HN 0.473 nan 8.310 nan 0.000 0.478 441 W N -0.562 120.574 121.300 -0.274 0.000 2.719 441 W HA 0.579 5.239 4.660 0.001 0.000 0.352 441 W C 1.130 177.551 176.519 -0.164 0.000 1.085 441 W CA -0.707 56.520 57.345 -0.196 0.000 1.187 441 W CB 2.242 31.525 29.460 -0.295 0.000 1.417 441 W HN 0.976 nan 8.180 nan 0.000 0.557 442 A N 0.707 123.632 122.820 0.175 0.000 2.024 442 A HA -0.248 4.073 4.320 0.001 0.000 0.220 442 A C 1.424 179.099 177.584 0.152 0.000 1.164 442 A CA 1.981 54.109 52.037 0.151 0.000 0.643 442 A CB -0.864 18.243 19.000 0.177 0.000 0.806 442 A HN 0.633 nan 8.150 nan 0.000 0.451 443 H N -4.900 114.211 119.070 0.068 0.000 2.586 443 H HA 0.349 4.906 4.556 0.002 0.000 0.273 443 H C -0.606 174.497 175.328 -0.376 0.000 0.997 443 H CA -0.597 55.367 56.048 -0.140 0.000 1.177 443 H CB -0.154 29.496 29.762 -0.187 0.000 1.471 443 H HN 0.394 nan 8.280 nan 0.000 0.538 444 F N 2.423 122.234 119.950 -0.231 0.000 2.541 444 F HA 0.348 4.875 4.527 0.001 0.000 0.368 444 F C -2.586 173.090 175.800 -0.206 0.000 1.530 444 F CA -2.183 55.701 58.000 -0.192 0.000 1.102 444 F CB 1.486 40.313 39.000 -0.289 0.000 1.382 444 F HN 0.007 nan 8.300 nan 0.000 0.541 445 P HA 0.240 nan 4.420 nan 0.000 0.279 445 P C -0.335 176.674 177.300 -0.484 0.000 1.282 445 P CA -0.159 62.761 63.100 -0.301 0.000 0.788 445 P CB 1.244 32.823 31.700 -0.203 0.000 1.139 446 F N -1.341 118.460 119.950 -0.247 0.000 2.411 446 F HA 0.428 4.956 4.527 0.002 0.000 0.324 446 F C 0.275 175.853 175.800 -0.369 0.000 1.086 446 F CA -0.078 57.788 58.000 -0.223 0.000 1.028 446 F CB 0.242 39.254 39.000 0.020 0.000 1.284 446 F HN 0.163 nan 8.300 nan 0.000 0.501 447 Y N 0.972 121.494 120.300 0.370 0.000 2.391 447 Y HA 0.458 5.008 4.550 0.001 0.000 0.341 447 Y C -0.666 175.365 175.900 0.218 0.000 0.965 447 Y CA -1.486 56.723 58.100 0.183 0.000 1.067 447 Y CB 1.246 39.714 38.460 0.013 0.000 1.199 447 Y HN 0.346 nan 8.280 nan 0.000 0.450 448 F N 1.434 121.566 119.950 0.304 0.000 2.436 448 F HA 0.825 5.353 4.527 0.001 0.000 0.340 448 F C -0.628 175.235 175.800 0.104 0.000 1.113 448 F CA -0.889 57.181 58.000 0.117 0.000 1.022 448 F CB 1.242 40.443 39.000 0.335 0.000 1.128 448 F HN 0.553 nan 8.300 nan 0.000 0.466 449 N N 0.076 118.748 118.700 -0.048 0.000 2.708 449 N HA 0.384 5.125 4.740 0.001 0.000 0.257 449 N C -1.609 173.971 175.510 0.117 0.000 1.373 449 N CA -1.087 51.987 53.050 0.041 0.000 0.843 449 N CB 1.651 40.118 38.487 -0.034 0.000 1.503 449 N HN 0.656 nan 8.380 nan 0.000 0.504 450 S N 0.018 115.852 115.700 0.222 0.000 2.531 450 S HA 0.055 4.526 4.470 0.001 0.000 0.279 450 S C 0.446 175.137 174.600 0.153 0.000 1.305 450 S CA -0.257 58.094 58.200 0.251 0.000 1.058 450 S CB 0.603 63.917 63.200 0.189 0.000 0.899 450 S HN 0.559 nan 8.310 nan 0.000 0.493 451 Q N 2.962 122.872 119.800 0.182 0.000 2.472 451 Q HA 0.059 4.400 4.340 0.001 0.000 0.208 451 Q C 0.250 176.327 176.000 0.129 0.000 0.958 451 Q CA 0.566 56.460 55.803 0.150 0.000 0.932 451 Q CB -0.383 28.478 28.738 0.205 0.000 1.007 451 Q HN 0.745 nan 8.270 nan 0.000 0.508 452 T N 1.950 116.581 114.554 0.129 0.000 2.848 452 T HA 0.148 4.499 4.350 0.001 0.000 0.283 452 T C 1.694 176.445 174.700 0.086 0.000 0.919 452 T CA -0.132 62.039 62.100 0.118 0.000 1.071 452 T CB 0.086 69.023 68.868 0.114 0.000 0.912 452 T HN 0.198 nan 8.240 nan 0.000 0.570 453 L N 2.596 123.864 121.223 0.075 0.000 2.034 453 L HA -0.251 4.090 4.340 0.001 0.000 0.217 453 L C 2.486 179.381 176.870 0.041 0.000 1.077 453 L CA 1.645 56.507 54.840 0.037 0.000 0.769 453 L CB -0.459 41.617 42.059 0.028 0.000 0.890 453 L HN 0.533 nan 8.230 nan 0.000 0.435 454 E N -0.788 119.461 120.200 0.082 0.000 2.204 454 E HA -0.185 4.166 4.350 0.001 0.000 0.195 454 E C 2.161 178.798 176.600 0.061 0.000 0.990 454 E CA 1.078 57.531 56.400 0.088 0.000 0.821 454 E CB -0.031 29.744 29.700 0.124 0.000 0.750 454 E HN 0.374 nan 8.360 nan 0.000 0.477 455 M N -0.801 118.834 119.600 0.058 0.000 2.334 455 M HA 0.144 4.625 4.480 0.001 0.000 0.266 455 M C 2.186 178.506 176.300 0.033 0.000 1.082 455 M CA 0.929 56.260 55.300 0.051 0.000 1.141 455 M CB -0.607 32.030 32.600 0.062 0.000 1.380 455 M HN 0.161 nan 8.290 nan 0.000 0.440 456 A N 0.349 123.175 122.820 0.010 0.000 1.872 456 A HA -0.146 4.175 4.320 0.001 0.000 0.214 456 A C 1.810 179.346 177.584 -0.079 0.000 1.187 456 A CA 1.671 53.679 52.037 -0.047 0.000 0.614 456 A CB -0.734 18.218 19.000 -0.080 0.000 0.826 456 A HN 0.319 nan 8.150 nan 0.000 0.442 457 D N -0.988 119.379 120.400 -0.054 0.000 2.311 457 D HA -0.115 4.526 4.640 0.001 0.000 0.212 457 D C 1.783 178.086 176.300 0.004 0.000 0.972 457 D CA 0.875 54.848 54.000 -0.045 0.000 0.887 457 D CB -0.116 40.677 40.800 -0.012 0.000 0.915 457 D HN 0.479 nan 8.370 nan 0.000 0.497 458 R N -1.396 119.117 120.500 0.022 0.000 2.432 458 R HA 0.231 4.572 4.340 0.001 0.000 0.260 458 R C 0.895 177.241 176.300 0.076 0.000 0.935 458 R CA 0.610 56.740 56.100 0.051 0.000 1.080 458 R CB 0.567 30.895 30.300 0.048 0.000 1.155 458 R HN 0.161 nan 8.270 nan 0.000 0.531 459 G N -0.846 108.008 108.800 0.090 0.000 2.255 459 G HA2 -0.197 3.764 3.960 0.001 0.000 0.196 459 G HA3 -0.197 3.764 3.960 0.001 0.000 0.196 459 G C 0.244 175.220 174.900 0.127 0.000 0.998 459 G CA -0.043 45.148 45.100 0.153 0.000 0.656 459 G HN 0.210 nan 8.290 nan 0.000 0.490 460 S N 1.161 116.905 115.700 0.072 0.000 3.544 460 S HA 0.513 4.984 4.470 0.001 0.000 0.227 460 S C 0.309 174.934 174.600 0.042 0.000 1.387 460 S CA 0.394 58.641 58.200 0.079 0.000 1.182 460 S CB -0.498 62.752 63.200 0.083 0.000 1.243 460 S HN 0.451 nan 8.310 nan 0.000 0.467 461 I N 0.548 121.129 120.570 0.019 0.000 2.647 461 I HA 0.582 4.753 4.170 0.001 0.000 0.295 461 I C 0.422 176.507 176.117 -0.053 0.000 1.078 461 I CA -0.815 60.412 61.300 -0.122 0.000 1.048 461 I CB 2.316 40.035 38.000 -0.467 0.000 1.239 461 I HN 0.297 nan 8.210 nan 0.000 0.421 462 G N 3.503 112.046 108.800 -0.427 0.000 2.498 462 G HA2 0.653 4.614 3.960 0.001 0.000 0.312 462 G HA3 0.653 4.614 3.960 0.001 0.000 0.312 462 G C -1.448 173.178 174.900 -0.457 0.000 1.230 462 G CA -0.447 44.239 45.100 -0.690 0.000 0.968 462 G HN 0.527 nan 8.290 nan 0.000 0.481 463 Q N 0.022 119.848 119.800 0.044 0.000 2.333 463 Q HA 0.412 4.753 4.340 0.001 0.000 0.268 463 Q C -1.152 175.097 176.000 0.415 0.000 1.007 463 Q CA -0.713 55.228 55.803 0.230 0.000 0.810 463 Q CB 2.705 31.591 28.738 0.246 0.000 1.264 463 Q HN 0.448 nan 8.270 nan 0.000 0.452 464 L N 3.667 125.170 121.223 0.467 0.000 2.295 464 L HA 0.559 4.900 4.340 0.001 0.000 0.285 464 L C -1.608 175.388 176.870 0.208 0.000 1.035 464 L CA -0.681 54.445 54.840 0.477 0.000 0.806 464 L CB 1.122 43.584 42.059 0.672 0.000 1.214 464 L HN 0.564 nan 8.230 nan 0.000 0.426 465 L N 6.425 127.713 121.223 0.109 0.000 2.298 465 L HA 0.632 4.973 4.340 0.001 0.000 0.284 465 L C -1.228 175.591 176.870 -0.085 0.000 1.013 465 L CA -0.271 54.550 54.840 -0.031 0.000 0.824 465 L CB 1.617 43.650 42.059 -0.043 0.000 1.221 465 L HN 0.465 nan 8.230 nan 0.000 0.418 466 V N 4.964 124.800 119.914 -0.130 0.000 2.350 466 V HA 0.465 4.586 4.120 0.001 0.000 0.276 466 V C -0.057 175.886 176.094 -0.253 0.000 1.028 466 V CA -0.767 61.439 62.300 -0.157 0.000 0.860 466 V CB 1.001 32.828 31.823 0.007 0.000 0.990 466 V HN 0.719 nan 8.190 nan 0.000 0.453 467 N N 6.642 125.202 118.700 -0.234 0.000 2.499 467 N HA 0.410 5.151 4.740 0.001 0.000 0.281 467 N C -2.474 172.907 175.510 -0.215 0.000 1.098 467 N CA -1.166 51.737 53.050 -0.246 0.000 0.979 467 N CB 1.938 40.316 38.487 -0.181 0.000 1.121 467 N HN 0.401 nan 8.380 nan 0.000 0.466 468 P HA 0.174 nan 4.420 nan 0.000 0.278 468 P C 0.214 177.445 177.300 -0.115 0.000 1.258 468 P CA -0.433 62.565 63.100 -0.169 0.000 0.811 468 P CB 0.975 32.559 31.700 -0.193 0.000 1.063 469 V N 0.000 119.871 119.914 -0.071 0.000 2.409 469 V HA 0.000 4.121 4.120 0.001 0.000 0.244 469 V CA 0.000 62.269 62.300 -0.052 0.000 1.235 469 V CB 0.000 31.809 31.823 -0.023 0.000 1.184 469 V HN 0.000 nan 8.190 nan 0.000 0.556