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 2ahv_1_D DATA FIRST_RESID 4 DATA SEQUENCE VKPPRINGRV PVLSAQEAVN YIPDEATLCV LGAGGGILEA TTLITALADK DATA SEQUENCE YKQTQTPRNL SIISPTGLGD RADRGISPLA QEGLVKWALC GHWGQSPRIS DATA SEQUENCE DLAEQNKIIA YNYPQGVLTQ TLRAAAAHQP GIISDIGIGT FVDPRQQGGK DATA SEQUENCE LNEVTKEDLI KLVEFDNKEY LYYKAIAPDI AFIRATTCDS EGYATFEDEV DATA SEQUENCE MYLDALVIAQ AVHNNGGIVM MQVQKMVKKA TLHPKSVRIP GYLVDIVVVD DATA SEQUENCE PDQSQLYGGA PVNRFISGDF TLDXXXXXXX PLNQRKLVAR RALFEMRKGA DATA SEQUENCE VGNVGVGIAD GIGLVAREEG CADDFILTVE TGPIGGITXX XXXXXANVNT DATA SEQUENCE RAILDMTSQF DFYHGGGLDV CYLSFAEVDQ HGNVGVHKFN GKIMGTGGFI DATA SEQUENCE DISATSKKII FCGTLTAGSL KTEIADGKLN IVQEGRVKKF IRELPEITFS DATA SEQUENCE GKIALERGLD VRYITERAVF TLKEDGLHLI EIAPGVDLQK DILDKMDFTP DATA SEQUENCE VISPELKLMD ERLFIDAAMG FVLPEA 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.183 176.094 0.149 0.000 1.182 4 V CA 0.000 62.361 62.300 0.103 0.000 1.235 4 V CB 0.000 31.888 31.823 0.109 0.000 1.184 5 K N 3.921 124.354 120.400 0.054 0.000 2.156 5 K HA 0.879 5.199 4.320 -0.001 0.000 0.250 5 K C -2.729 173.833 176.600 -0.063 0.000 0.955 5 K CA -1.768 54.476 56.287 -0.073 0.000 0.855 5 K CB 1.937 34.388 32.500 -0.082 0.000 1.101 5 K HN 0.502 nan 8.250 nan 0.000 0.434 6 P HA 0.123 nan 4.420 nan 0.000 0.268 6 P C -2.395 174.884 177.300 -0.035 0.000 1.205 6 P CA -0.916 62.145 63.100 -0.065 0.000 0.771 6 P CB -0.135 31.483 31.700 -0.136 0.000 0.858 7 P HA 0.235 nan 4.420 nan 0.000 0.277 7 P C -0.341 176.965 177.300 0.010 0.000 1.240 7 P CA -0.349 62.758 63.100 0.012 0.000 0.798 7 P CB 0.957 32.672 31.700 0.024 0.000 0.979 8 R N 2.291 122.800 120.500 0.015 0.000 2.325 8 R HA 0.248 4.587 4.340 -0.001 0.000 0.323 8 R C 0.129 176.442 176.300 0.023 0.000 1.177 8 R CA -0.616 55.496 56.100 0.020 0.000 1.018 8 R CB -0.157 30.161 30.300 0.030 0.000 1.070 8 R HN 0.407 nan 8.270 nan 0.000 0.495 9 I N 4.061 124.644 120.570 0.020 0.000 2.517 9 I HA -0.088 4.082 4.170 -0.001 0.000 0.285 9 I C 0.574 176.704 176.117 0.022 0.000 1.106 9 I CA 0.036 61.349 61.300 0.021 0.000 1.402 9 I CB -0.177 37.834 38.000 0.019 0.000 1.399 9 I HN 0.695 nan 8.210 nan 0.000 0.535 10 N N 5.396 124.109 118.700 0.021 0.000 2.708 10 N HA -0.221 4.518 4.740 -0.001 0.000 0.249 10 N C 1.153 176.680 175.510 0.028 0.000 1.097 10 N CA 1.141 54.204 53.050 0.022 0.000 0.710 10 N CB -1.167 37.331 38.487 0.018 0.000 1.032 10 N HN 1.087 nan 8.380 nan 0.000 0.551 11 G N -1.007 107.814 108.800 0.034 0.000 2.205 11 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.261 11 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.261 11 G C 0.183 175.115 174.900 0.053 0.000 0.980 11 G CA 0.595 45.724 45.100 0.048 0.000 0.632 11 G HN 0.553 nan 8.290 nan 0.000 0.533 12 R N 0.172 120.695 120.500 0.039 0.000 2.389 12 R HA 0.452 4.792 4.340 -0.001 0.000 0.295 12 R C 0.535 176.852 176.300 0.028 0.000 1.075 12 R CA -0.229 55.892 56.100 0.036 0.000 1.005 12 R CB 1.766 32.081 30.300 0.026 0.000 0.987 12 R HN 0.181 nan 8.270 nan 0.000 0.452 13 V N 5.968 125.897 119.914 0.026 0.000 2.585 13 V HA 0.072 4.191 4.120 -0.001 0.000 0.296 13 V C -1.964 174.129 176.094 -0.002 0.000 1.035 13 V CA -1.612 60.692 62.300 0.008 0.000 1.084 13 V CB 0.804 32.625 31.823 -0.003 0.000 0.953 13 V HN 0.634 nan 8.190 nan 0.000 0.483 14 P HA 0.094 nan 4.420 nan 0.000 0.263 14 P C -0.949 176.339 177.300 -0.020 0.000 1.195 14 P CA 0.245 63.334 63.100 -0.019 0.000 0.762 14 P CB 0.406 32.078 31.700 -0.046 0.000 0.799 15 V N 5.783 125.692 119.914 -0.007 0.000 2.370 15 V HA 0.393 4.513 4.120 -0.001 0.000 0.283 15 V C 0.384 176.480 176.094 0.004 0.000 1.023 15 V CA -0.239 62.057 62.300 -0.006 0.000 0.857 15 V CB 0.864 32.685 31.823 -0.003 0.000 0.985 15 V HN 0.400 nan 8.190 nan 0.000 0.443 16 L N 3.183 124.408 121.223 0.003 0.000 2.327 16 L HA 0.624 4.963 4.340 -0.001 0.000 0.258 16 L C 0.429 177.306 176.870 0.011 0.000 1.024 16 L CA -0.680 54.173 54.840 0.022 0.000 0.825 16 L CB 2.668 44.757 42.059 0.050 0.000 1.386 16 L HN 0.715 nan 8.230 nan 0.000 0.417 17 S N 0.101 115.812 115.700 0.019 0.000 2.593 17 S HA 0.274 4.743 4.470 -0.001 0.000 0.269 17 S C 1.033 175.636 174.600 0.004 0.000 1.334 17 S CA 0.023 58.227 58.200 0.007 0.000 1.015 17 S CB 1.495 64.702 63.200 0.012 0.000 0.912 17 S HN 0.732 nan 8.310 nan 0.000 0.541 18 A N 1.613 124.420 122.820 -0.021 0.000 1.940 18 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 18 A C 2.238 179.818 177.584 -0.006 0.000 1.176 18 A CA 1.877 53.887 52.037 -0.045 0.000 0.631 18 A CB -1.167 17.786 19.000 -0.078 0.000 0.814 18 A HN 0.854 nan 8.150 nan 0.000 0.446 19 Q N -0.037 119.768 119.800 0.009 0.000 2.061 19 Q HA -0.186 4.153 4.340 -0.001 0.000 0.204 19 Q C 1.916 177.945 176.000 0.049 0.000 0.984 19 Q CA 2.112 57.931 55.803 0.027 0.000 0.846 19 Q CB -0.375 28.375 28.738 0.019 0.000 0.902 19 Q HN 0.812 nan 8.270 nan 0.000 0.421 20 E N -0.049 120.186 120.200 0.058 0.000 2.077 20 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 20 E C 1.912 178.626 176.600 0.191 0.000 0.989 20 E CA 0.928 57.387 56.400 0.098 0.000 0.800 20 E CB -0.200 29.560 29.700 0.101 0.000 0.746 20 E HN 0.400 nan 8.360 nan 0.000 0.452 21 A N 1.075 123.992 122.820 0.162 0.000 1.877 21 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 21 A C 2.518 180.265 177.584 0.272 0.000 1.186 21 A CA 1.691 53.853 52.037 0.207 0.000 0.620 21 A CB -0.910 18.130 19.000 0.068 0.000 0.822 21 A HN 0.254 nan 8.150 nan 0.000 0.443 22 V N -1.966 118.057 119.914 0.182 0.000 2.913 22 V HA -0.132 3.987 4.120 -0.001 0.000 0.260 22 V C 1.554 177.753 176.094 0.175 0.000 1.098 22 V CA 2.015 64.444 62.300 0.215 0.000 1.121 22 V CB -1.155 30.782 31.823 0.191 0.000 0.714 22 V HN 0.422 nan 8.190 nan 0.000 0.487 23 N N 0.273 119.042 118.700 0.115 0.000 2.443 23 N HA -0.108 4.632 4.740 -0.001 0.000 0.184 23 N C 1.266 176.722 175.510 -0.089 0.000 1.037 23 N CA 1.496 54.537 53.050 -0.015 0.000 0.896 23 N CB -0.455 37.965 38.487 -0.111 0.000 0.959 23 N HN 0.738 nan 8.380 nan 0.000 0.442 24 Y N 0.179 120.517 120.300 0.064 0.000 2.490 24 Y HA 0.261 4.810 4.550 -0.001 0.000 0.281 24 Y C 0.601 176.536 175.900 0.057 0.000 1.174 24 Y CA -0.140 57.994 58.100 0.056 0.000 1.295 24 Y CB 0.214 38.709 38.460 0.058 0.000 1.062 24 Y HN -0.087 nan 8.280 nan 0.000 0.522 25 I N 4.150 124.827 120.570 0.179 0.000 2.322 25 I HA 0.152 4.322 4.170 -0.001 0.000 0.292 25 I C -2.029 174.132 176.117 0.074 0.000 1.060 25 I CA -2.007 59.364 61.300 0.119 0.000 1.309 25 I CB 0.651 38.721 38.000 0.117 0.000 1.415 25 I HN -0.091 nan 8.210 nan 0.000 0.492 26 P HA 0.196 nan 4.420 nan 0.000 0.278 26 P C -0.902 176.416 177.300 0.029 0.000 1.266 26 P CA -0.573 62.548 63.100 0.035 0.000 0.807 26 P CB 0.655 32.371 31.700 0.027 0.000 1.094 27 D N 0.409 120.826 120.400 0.028 0.000 2.449 27 D HA -0.023 4.617 4.640 -0.001 0.000 0.236 27 D C 0.722 177.027 176.300 0.007 0.000 1.149 27 D CA 0.651 54.667 54.000 0.027 0.000 0.878 27 D CB -0.099 40.718 40.800 0.029 0.000 1.198 27 D HN 0.463 nan 8.370 nan 0.000 0.446 28 E N -1.676 118.525 120.200 0.001 0.000 3.170 28 E HA -0.245 4.105 4.350 -0.001 0.000 0.284 28 E C -0.324 176.246 176.600 -0.049 0.000 0.967 28 E CA 0.543 56.928 56.400 -0.026 0.000 0.919 28 E CB -1.200 28.482 29.700 -0.030 0.000 1.469 28 E HN 0.546 nan 8.360 nan 0.000 0.444 29 A N 0.833 123.631 122.820 -0.036 0.000 2.445 29 A HA 0.317 4.636 4.320 -0.001 0.000 0.242 29 A C 0.524 178.060 177.584 -0.079 0.000 1.075 29 A CA 0.457 52.463 52.037 -0.051 0.000 0.777 29 A CB 0.510 19.491 19.000 -0.032 0.000 1.013 29 A HN 0.096 nan 8.150 nan 0.000 0.493 30 T N 2.822 117.316 114.554 -0.100 0.000 2.738 30 T HA 0.419 4.769 4.350 -0.001 0.000 0.298 30 T C -0.391 174.250 174.700 -0.099 0.000 0.962 30 T CA 0.011 62.044 62.100 -0.112 0.000 0.972 30 T CB 0.114 68.887 68.868 -0.159 0.000 0.928 30 T HN 0.526 nan 8.240 nan 0.000 0.474 31 L N 4.316 125.473 121.223 -0.110 0.000 2.282 31 L HA 0.633 4.973 4.340 -0.001 0.000 0.288 31 L C -0.457 176.322 176.870 -0.152 0.000 1.033 31 L CA -0.542 54.182 54.840 -0.194 0.000 0.807 31 L CB 0.828 42.700 42.059 -0.312 0.000 1.209 31 L HN 0.730 nan 8.230 nan 0.000 0.423 32 C N 5.878 125.094 119.300 -0.140 0.000 2.273 32 C HA 0.733 5.193 4.460 -0.001 0.000 0.328 32 C C -0.276 174.672 174.990 -0.070 0.000 1.275 32 C CA -0.533 58.440 59.018 -0.074 0.000 1.704 32 C CB 0.325 28.050 27.740 -0.025 0.000 2.326 32 C HN 0.653 nan 8.230 nan 0.000 0.517 33 V N 7.886 127.780 119.914 -0.033 0.000 2.347 33 V HA 0.316 4.435 4.120 -0.001 0.000 0.280 33 V C 0.142 176.278 176.094 0.070 0.000 1.021 33 V CA -0.531 61.794 62.300 0.042 0.000 0.847 33 V CB 1.103 32.955 31.823 0.048 0.000 0.990 33 V HN 0.818 nan 8.190 nan 0.000 0.444 34 L N 4.906 126.195 121.223 0.109 0.000 2.439 34 L HA 0.798 5.137 4.340 -0.001 0.000 0.269 34 L C 0.556 177.480 176.870 0.090 0.000 1.179 34 L CA 1.517 56.417 54.840 0.101 0.000 0.828 34 L CB 0.753 42.887 42.059 0.125 0.000 1.106 34 L HN 0.969 nan 8.230 nan 0.000 0.467 35 G N 2.270 111.113 108.800 0.071 0.000 2.333 35 G HA2 0.566 4.526 3.960 -0.001 0.000 0.330 35 G HA3 0.566 4.526 3.960 -0.001 0.000 0.330 35 G C -1.768 173.149 174.900 0.028 0.000 1.465 35 G CA -0.239 44.889 45.100 0.046 0.000 0.996 35 G HN 1.101 nan 8.290 nan 0.000 0.655 36 A N -0.793 122.024 122.820 -0.004 0.000 2.486 36 A HA 1.037 5.356 4.320 -0.001 0.000 0.277 36 A C 0.822 178.367 177.584 -0.065 0.000 1.282 36 A CA 0.315 52.342 52.037 -0.016 0.000 0.784 36 A CB 0.754 19.752 19.000 -0.003 0.000 1.350 36 A HN 2.438 nan 8.150 nan 0.000 0.454 37 G N -1.550 107.211 108.800 -0.065 0.000 2.559 37 G HA2 0.494 4.454 3.960 -0.001 0.000 0.235 37 G HA3 0.494 4.454 3.960 -0.001 0.000 0.235 37 G C 1.169 175.963 174.900 -0.176 0.000 1.266 37 G CA 0.661 45.710 45.100 -0.084 0.000 0.847 37 G HN 2.372 nan 8.290 nan 0.000 0.583 38 G N -0.583 108.071 108.800 -0.244 0.000 2.179 38 G HA2 0.191 4.150 3.960 -0.001 0.000 0.257 38 G HA3 0.191 4.150 3.960 -0.001 0.000 0.257 38 G C 1.416 175.729 174.900 -0.978 0.000 1.010 38 G CA 1.044 45.899 45.100 -0.408 0.000 0.736 38 G HN 2.635 nan 8.290 nan 0.000 0.513 39 G N -1.278 106.776 108.800 -1.243 0.000 2.175 39 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.244 39 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.244 39 G C 0.480 175.178 174.900 -0.337 0.000 0.982 39 G CA 0.156 44.670 45.100 -0.977 0.000 0.641 39 G HN 1.412 nan 8.290 nan 0.000 0.527 40 I N 1.428 121.850 120.570 -0.245 0.000 2.752 40 I HA 0.071 4.241 4.170 -0.001 0.000 0.286 40 I C 1.863 177.952 176.117 -0.046 0.000 1.180 40 I CA 0.446 61.682 61.300 -0.106 0.000 1.404 40 I CB 0.282 38.237 38.000 -0.076 0.000 1.389 40 I HN 0.286 nan 8.210 nan 0.000 0.549 41 L N 4.577 125.795 121.223 -0.008 0.000 3.858 41 L HA -0.249 4.091 4.340 -0.001 0.000 0.425 41 L C 0.710 177.603 176.870 0.038 0.000 1.177 41 L CA 0.546 55.410 54.840 0.040 0.000 0.943 41 L CB -1.077 41.048 42.059 0.110 0.000 1.861 41 L HN 0.720 nan 8.230 nan 0.000 0.985 42 E N 0.644 120.852 120.200 0.012 0.000 2.200 42 E HA 0.435 4.784 4.350 -0.001 0.000 0.283 42 E C 0.555 177.183 176.600 0.046 0.000 1.015 42 E CA 0.213 56.639 56.400 0.044 0.000 0.819 42 E CB 1.202 30.928 29.700 0.044 0.000 1.081 42 E HN 0.295 nan 8.360 nan 0.000 0.397 43 A N 4.498 127.349 122.820 0.051 0.000 3.026 43 A HA 0.082 4.401 4.320 -0.001 0.000 0.272 43 A C 1.095 178.663 177.584 -0.028 0.000 1.782 43 A CA -0.175 51.855 52.037 -0.011 0.000 1.451 43 A CB -0.458 18.514 19.000 -0.047 0.000 1.081 43 A HN 0.782 nan 8.150 nan 0.000 0.611 44 T N 0.581 115.146 114.554 0.019 0.000 2.720 44 T HA -0.195 4.154 4.350 -0.001 0.000 0.268 44 T C 2.328 177.014 174.700 -0.023 0.000 1.037 44 T CA 2.324 64.448 62.100 0.040 0.000 1.144 44 T CB -0.392 68.531 68.868 0.091 0.000 0.864 44 T HN 0.895 nan 8.240 nan 0.000 0.444 45 T N 1.162 115.681 114.554 -0.059 0.000 2.833 45 T HA 0.013 4.362 4.350 -0.001 0.000 0.269 45 T C 2.005 176.617 174.700 -0.148 0.000 1.054 45 T CA 0.819 62.871 62.100 -0.080 0.000 1.135 45 T CB -0.680 68.144 68.868 -0.075 0.000 0.869 45 T HN 0.291 nan 8.240 nan 0.000 0.466 46 L N 0.051 121.098 121.223 -0.294 0.000 2.044 46 L HA 0.121 4.460 4.340 -0.001 0.000 0.205 46 L C 2.826 179.461 176.870 -0.392 0.000 1.075 46 L CA 1.136 55.611 54.840 -0.609 0.000 0.747 46 L CB -0.487 40.744 42.059 -1.380 0.000 0.903 46 L HN 0.228 nan 8.230 nan 0.000 0.435 47 I N -0.546 119.939 120.570 -0.142 0.000 2.163 47 I HA -0.316 3.854 4.170 -0.001 0.000 0.243 47 I C 2.529 178.702 176.117 0.093 0.000 1.085 47 I CA 1.643 63.034 61.300 0.153 0.000 1.347 47 I CB -0.620 37.479 38.000 0.164 0.000 1.044 47 I HN 0.271 nan 8.210 nan 0.000 0.408 48 T N 0.787 115.359 114.554 0.029 0.000 2.652 48 T HA -0.198 4.151 4.350 -0.001 0.000 0.267 48 T C 2.074 176.794 174.700 0.033 0.000 1.039 48 T CA 1.617 63.733 62.100 0.026 0.000 1.153 48 T CB -0.387 68.483 68.868 0.003 0.000 0.863 48 T HN 0.501 nan 8.240 nan 0.000 0.428 49 A N 1.141 123.965 122.820 0.008 0.000 1.908 49 A HA -0.068 4.252 4.320 -0.001 0.000 0.218 49 A C 2.253 179.883 177.584 0.078 0.000 1.181 49 A CA 1.538 53.590 52.037 0.025 0.000 0.627 49 A CB -0.810 18.186 19.000 -0.007 0.000 0.818 49 A HN 0.422 nan 8.150 nan 0.000 0.445 50 L N -0.463 120.834 121.223 0.123 0.000 2.056 50 L HA 0.038 4.378 4.340 -0.001 0.000 0.207 50 L C 2.655 179.621 176.870 0.160 0.000 1.078 50 L CA 2.119 57.068 54.840 0.183 0.000 0.749 50 L CB -0.853 41.383 42.059 0.295 0.000 0.901 50 L HN 0.327 nan 8.230 nan 0.000 0.433 51 A N -0.618 122.283 122.820 0.134 0.000 1.908 51 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 51 A C 1.983 179.647 177.584 0.133 0.000 1.181 51 A CA 1.993 54.104 52.037 0.124 0.000 0.627 51 A CB -0.913 18.140 19.000 0.089 0.000 0.818 51 A HN 0.526 nan 8.150 nan 0.000 0.445 52 D N -0.593 119.864 120.400 0.096 0.000 2.117 52 D HA -0.135 4.504 4.640 -0.001 0.000 0.197 52 D C 1.900 178.248 176.300 0.079 0.000 0.987 52 D CA 1.471 55.515 54.000 0.074 0.000 0.829 52 D CB -0.247 40.581 40.800 0.048 0.000 0.961 52 D HN 0.553 nan 8.370 nan 0.000 0.460 53 K N -0.575 119.882 120.400 0.095 0.000 2.063 53 K HA -0.205 4.114 4.320 -0.001 0.000 0.208 53 K C 2.211 178.868 176.600 0.096 0.000 1.048 53 K CA 0.977 57.315 56.287 0.086 0.000 0.928 53 K CB -0.229 32.331 32.500 0.100 0.000 0.713 53 K HN 0.155 nan 8.250 nan 0.000 0.442 54 Y N 1.371 121.693 120.300 0.037 0.000 2.200 54 Y HA -0.172 4.377 4.550 -0.001 0.000 0.290 54 Y C 2.190 178.105 175.900 0.026 0.000 1.137 54 Y CA 1.812 59.932 58.100 0.033 0.000 1.163 54 Y CB 0.038 38.521 38.460 0.039 0.000 0.988 54 Y HN -0.025 nan 8.280 nan 0.000 0.518 55 K N -0.152 120.319 120.400 0.119 0.000 2.209 55 K HA -0.204 4.116 4.320 -0.001 0.000 0.204 55 K C 1.855 178.433 176.600 -0.036 0.000 1.048 55 K CA 1.780 58.094 56.287 0.045 0.000 0.940 55 K CB -0.011 32.535 32.500 0.076 0.000 0.729 55 K HN 0.491 nan 8.250 nan 0.000 0.451 56 Q N -1.507 118.269 119.800 -0.041 0.000 2.349 56 Q HA -0.010 4.330 4.340 -0.001 0.000 0.209 56 Q C 1.346 177.294 176.000 -0.086 0.000 0.920 56 Q CA 1.451 57.225 55.803 -0.048 0.000 0.901 56 Q CB 0.915 29.641 28.738 -0.019 0.000 1.021 56 Q HN 0.435 nan 8.270 nan 0.000 0.519 57 T N -4.367 110.110 114.554 -0.128 0.000 3.016 57 T HA 0.115 4.464 4.350 -0.001 0.000 0.271 57 T C 0.184 174.748 174.700 -0.226 0.000 0.968 57 T CA -0.145 61.878 62.100 -0.130 0.000 0.891 57 T CB 0.509 69.336 68.868 -0.068 0.000 1.149 57 T HN -0.016 nan 8.240 nan 0.000 0.524 58 Q N 1.855 121.369 119.800 -0.476 0.000 2.480 58 Q HA -0.142 4.197 4.340 -0.001 0.000 0.265 58 Q C 0.081 175.849 176.000 -0.386 0.000 1.072 58 Q CA 1.467 56.757 55.803 -0.856 0.000 1.018 58 Q CB -2.686 25.761 28.738 -0.485 0.000 1.433 58 Q HN 0.961 nan 8.270 nan 0.000 0.513 59 T N -3.901 110.575 114.554 -0.130 0.000 2.903 59 T HA 0.822 5.171 4.350 -0.001 0.000 0.299 59 T C -2.810 172.025 174.700 0.226 0.000 1.093 59 T CA -2.043 60.124 62.100 0.111 0.000 1.002 59 T CB 3.307 72.197 68.868 0.038 0.000 1.127 59 T HN -0.145 nan 8.240 nan 0.000 0.488 60 P HA 0.445 nan 4.420 nan 0.000 0.279 60 P C -0.818 176.615 177.300 0.222 0.000 1.282 60 P CA -0.750 62.450 63.100 0.166 0.000 0.788 60 P CB 0.877 32.640 31.700 0.104 0.000 1.139 61 R N -0.010 120.576 120.500 0.144 0.000 2.803 61 R HA 0.347 4.687 4.340 -0.001 0.000 0.276 61 R C -0.051 176.287 176.300 0.064 0.000 0.978 61 R CA -0.773 55.411 56.100 0.140 0.000 0.939 61 R CB 0.659 31.042 30.300 0.139 0.000 1.179 61 R HN 0.447 nan 8.270 nan 0.000 0.472 62 N N 0.952 119.678 118.700 0.044 0.000 2.740 62 N HA -0.176 4.564 4.740 -0.001 0.000 0.248 62 N C -0.530 174.993 175.510 0.022 0.000 1.062 62 N CA 0.712 53.784 53.050 0.035 0.000 0.704 62 N CB -1.156 37.356 38.487 0.041 0.000 0.968 62 N HN 0.501 nan 8.380 nan 0.000 0.547 63 L N 0.109 121.336 121.223 0.007 0.000 2.461 63 L HA 0.134 4.473 4.340 -0.001 0.000 0.272 63 L C 1.010 177.907 176.870 0.046 0.000 1.197 63 L CA 0.319 55.159 54.840 -0.001 0.000 0.836 63 L CB 0.531 42.575 42.059 -0.025 0.000 1.105 63 L HN 0.019 nan 8.230 nan 0.000 0.477 64 S N 2.870 118.587 115.700 0.029 0.000 2.489 64 S HA 0.578 5.047 4.470 -0.001 0.000 0.291 64 S C -0.267 174.426 174.600 0.156 0.000 1.151 64 S CA -0.562 57.730 58.200 0.152 0.000 1.082 64 S CB 1.295 64.413 63.200 -0.137 0.000 1.019 64 S HN 0.241 nan 8.310 nan 0.000 0.492 65 I N 3.571 124.310 120.570 0.281 0.000 2.404 65 I HA 0.466 4.636 4.170 -0.001 0.000 0.293 65 I C -0.387 175.832 176.117 0.170 0.000 0.992 65 I CA -0.532 60.838 61.300 0.116 0.000 1.149 65 I CB 1.401 39.405 38.000 0.008 0.000 1.315 65 I HN 0.545 nan 8.210 nan 0.000 0.446 66 I N 4.235 124.848 120.570 0.072 0.000 2.389 66 I HA 0.238 4.408 4.170 -0.001 0.000 0.288 66 I C 0.021 176.118 176.117 -0.033 0.000 0.999 66 I CA -0.309 61.016 61.300 0.040 0.000 1.129 66 I CB 1.927 39.962 38.000 0.059 0.000 1.288 66 I HN 0.475 nan 8.210 nan 0.000 0.444 67 S N 7.743 123.396 115.700 -0.079 0.000 2.653 67 S HA 0.416 4.886 4.470 -0.001 0.000 0.272 67 S C -1.928 172.640 174.600 -0.055 0.000 1.221 67 S CA -1.488 56.664 58.200 -0.079 0.000 1.149 67 S CB 1.047 64.160 63.200 -0.144 0.000 1.029 67 S HN 0.291 nan 8.310 nan 0.000 0.481 68 P HA -0.043 nan 4.420 nan 0.000 0.216 68 P C 0.637 177.955 177.300 0.030 0.000 1.150 68 P CA 1.177 64.281 63.100 0.007 0.000 0.843 68 P CB 0.235 31.949 31.700 0.024 0.000 0.787 69 T N -2.962 111.617 114.554 0.041 0.000 2.742 69 T HA 0.639 4.988 4.350 -0.001 0.000 0.282 69 T C -0.653 174.081 174.700 0.056 0.000 1.025 69 T CA -0.774 61.372 62.100 0.077 0.000 1.020 69 T CB 0.939 69.866 68.868 0.098 0.000 1.317 69 T HN -0.139 nan 8.240 nan 0.000 0.538 70 G N 1.939 110.791 108.800 0.087 0.000 2.338 70 G HA2 0.537 4.496 3.960 -0.001 0.000 0.295 70 G HA3 0.537 4.496 3.960 -0.001 0.000 0.295 70 G C -0.742 174.182 174.900 0.040 0.000 1.132 70 G CA -0.254 44.906 45.100 0.100 0.000 0.922 70 G HN 0.532 nan 8.290 nan 0.000 0.427 71 L N 2.066 123.314 121.223 0.041 0.000 2.399 71 L HA 0.759 5.098 4.340 -0.001 0.000 0.266 71 L C 1.066 177.991 176.870 0.091 0.000 1.114 71 L CA 1.431 56.299 54.840 0.047 0.000 0.804 71 L CB 1.149 43.245 42.059 0.061 0.000 1.146 71 L HN 1.054 nan 8.230 nan 0.000 0.451 72 G N 1.611 110.484 108.800 0.123 0.000 2.409 72 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.421 72 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.421 72 G C -0.665 174.400 174.900 0.274 0.000 1.259 72 G CA -0.041 45.221 45.100 0.269 0.000 1.011 72 G HN 0.767 nan 8.290 nan 0.000 0.497 73 D N -0.716 119.849 120.400 0.276 0.000 2.538 73 D HA 0.245 4.884 4.640 -0.001 0.000 0.231 73 D C 1.016 177.395 176.300 0.131 0.000 1.229 73 D CA -0.095 54.034 54.000 0.215 0.000 0.828 73 D CB -0.140 40.788 40.800 0.213 0.000 1.035 73 D HN 0.915 nan 8.370 nan 0.000 0.495 74 R N -0.962 119.613 120.500 0.125 0.000 3.770 74 R HA -0.144 4.196 4.340 -0.001 0.000 0.305 74 R C 0.283 176.631 176.300 0.080 0.000 1.184 74 R CA 0.874 57.039 56.100 0.108 0.000 0.823 74 R CB -2.206 28.157 30.300 0.105 0.000 1.285 74 R HN 0.465 nan 8.270 nan 0.000 0.499 75 A N -0.476 122.388 122.820 0.073 0.000 2.588 75 A HA 0.303 4.622 4.320 -0.001 0.000 0.172 75 A C -0.138 177.470 177.584 0.039 0.000 1.149 75 A CA -0.245 51.820 52.037 0.048 0.000 1.987 75 A CB 0.308 19.329 19.000 0.036 0.000 2.500 75 A HN 0.061 nan 8.150 nan 0.000 0.982 76 D N 0.445 120.856 120.400 0.019 0.000 2.369 76 D HA 0.199 4.839 4.640 -0.001 0.000 0.211 76 D C 0.818 177.117 176.300 -0.002 0.000 1.077 76 D CA 0.163 54.169 54.000 0.009 0.000 0.842 76 D CB 0.473 41.272 40.800 -0.003 0.000 0.947 76 D HN 0.284 nan 8.370 nan 0.000 0.509 77 R N 0.088 120.585 120.500 -0.005 0.000 2.523 77 R HA 0.498 4.838 4.340 -0.001 0.000 0.216 77 R C 1.194 177.551 176.300 0.096 0.000 1.279 77 R CA -0.106 55.983 56.100 -0.019 0.000 1.015 77 R CB -0.061 30.110 30.300 -0.215 0.000 1.756 77 R HN 0.010 nan 8.270 nan 0.000 0.528 78 G N 1.060 109.983 108.800 0.205 0.000 2.583 78 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.292 78 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.292 78 G C 0.620 175.590 174.900 0.118 0.000 1.203 78 G CA 0.533 45.749 45.100 0.192 0.000 0.987 78 G HN 0.729 nan 8.290 nan 0.000 0.554 79 I N -1.837 118.778 120.570 0.075 0.000 3.875 79 I HA 0.429 4.598 4.170 -0.001 0.000 0.329 79 I C 2.078 178.214 176.117 0.030 0.000 1.295 79 I CA 1.132 62.461 61.300 0.048 0.000 1.129 79 I CB 0.463 38.469 38.000 0.010 0.000 1.008 79 I HN 0.240 nan 8.210 nan 0.000 0.413 80 S N 2.558 118.282 115.700 0.039 0.000 2.374 80 S HA -0.077 4.393 4.470 -0.001 0.000 0.227 80 S C -0.428 174.189 174.600 0.029 0.000 1.037 80 S CA 1.858 60.078 58.200 0.033 0.000 1.024 80 S CB -1.184 62.039 63.200 0.038 0.000 0.861 80 S HN 0.453 nan 8.310 nan 0.000 0.456 81 P HA -0.010 nan 4.420 nan 0.000 0.223 81 P C 0.785 178.104 177.300 0.033 0.000 1.144 81 P CA 0.832 63.954 63.100 0.037 0.000 0.783 81 P CB -0.109 31.617 31.700 0.044 0.000 0.771 82 L N -1.894 119.341 121.223 0.020 0.000 2.591 82 L HA 0.171 4.511 4.340 -0.001 0.000 0.228 82 L C 1.693 178.533 176.870 -0.051 0.000 1.133 82 L CA 0.120 54.952 54.840 -0.014 0.000 0.880 82 L CB -0.520 41.536 42.059 -0.005 0.000 1.033 82 L HN -0.076 nan 8.230 nan 0.000 0.450 83 A N -0.419 122.389 122.820 -0.019 0.000 2.327 83 A HA 0.090 4.409 4.320 -0.001 0.000 0.228 83 A C 0.695 178.269 177.584 -0.017 0.000 1.275 83 A CA -0.247 51.782 52.037 -0.014 0.000 0.875 83 A CB -0.404 18.604 19.000 0.014 0.000 0.925 83 A HN 0.379 nan 8.150 nan 0.000 0.493 84 Q N 1.121 120.896 119.800 -0.041 0.000 2.311 84 Q HA 0.135 4.474 4.340 -0.001 0.000 0.272 84 Q C -0.500 175.467 176.000 -0.054 0.000 1.012 84 Q CA 0.098 55.902 55.803 0.003 0.000 0.891 84 Q CB 0.665 29.460 28.738 0.095 0.000 1.201 84 Q HN 0.507 nan 8.270 nan 0.000 0.391 85 E N 0.615 120.848 120.200 0.054 0.000 2.415 85 E HA 0.080 4.429 4.350 -0.001 0.000 0.263 85 E C 0.708 177.363 176.600 0.093 0.000 0.995 85 E CA 0.739 57.169 56.400 0.051 0.000 0.915 85 E CB 0.448 30.190 29.700 0.069 0.000 0.951 85 E HN 0.932 nan 8.360 nan 0.000 0.449 86 G N 2.561 111.377 108.800 0.028 0.000 2.279 86 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.223 86 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.223 86 G C 0.673 175.526 174.900 -0.078 0.000 1.015 86 G CA 0.214 45.363 45.100 0.081 0.000 0.621 86 G HN 0.499 nan 8.290 nan 0.000 0.506 87 L N 1.395 122.317 121.223 -0.502 0.000 2.005 87 L HA 0.401 4.741 4.340 -0.001 0.000 0.207 87 L C 1.319 178.062 176.870 -0.212 0.000 1.072 87 L CA 1.939 56.407 54.840 -0.621 0.000 0.744 87 L CB -0.257 41.229 42.059 -0.956 0.000 0.895 87 L HN 0.296 nan 8.230 nan 0.000 0.433 88 V N 0.474 120.305 119.914 -0.138 0.000 2.483 88 V HA 0.237 4.356 4.120 -0.001 0.000 0.295 88 V C 0.754 176.872 176.094 0.040 0.000 1.035 88 V CA -0.153 62.134 62.300 -0.022 0.000 0.896 88 V CB 1.349 33.168 31.823 -0.007 0.000 0.986 88 V HN 0.490 nan 8.190 nan 0.000 0.447 89 K N 2.436 122.900 120.400 0.108 0.000 2.391 89 K HA 0.194 4.514 4.320 -0.001 0.000 0.197 89 K C -0.093 176.668 176.600 0.269 0.000 1.087 89 K CA -0.264 56.113 56.287 0.151 0.000 1.012 89 K CB 0.911 33.490 32.500 0.132 0.000 0.925 89 K HN 0.557 nan 8.250 nan 0.000 0.547 90 W N 0.400 121.731 121.300 0.052 0.000 3.573 90 W HA 0.552 5.212 4.660 -0.001 0.000 0.306 90 W C -2.268 174.314 176.519 0.105 0.000 1.227 90 W CA -0.366 57.038 57.345 0.098 0.000 1.212 90 W CB 1.965 31.480 29.460 0.093 0.000 1.331 90 W HN 0.038 nan 8.180 nan 0.000 0.524 91 A N 5.081 127.843 122.820 -0.098 0.000 2.486 91 A HA 0.768 5.087 4.320 -0.001 0.000 0.300 91 A C -2.520 174.833 177.584 -0.384 0.000 1.048 91 A CA -0.720 51.245 52.037 -0.120 0.000 0.696 91 A CB 1.722 20.687 19.000 -0.058 0.000 1.278 91 A HN 0.994 nan 8.150 nan 0.000 0.405 92 L N 2.223 123.246 121.223 -0.333 0.000 2.342 92 L HA 0.785 5.125 4.340 -0.001 0.000 0.276 92 L C -1.146 175.645 176.870 -0.132 0.000 0.997 92 L CA -0.189 54.526 54.840 -0.208 0.000 0.838 92 L CB 0.885 42.749 42.059 -0.325 0.000 1.224 92 L HN 0.705 nan 8.230 nan 0.000 0.416 93 C N 2.621 121.879 119.300 -0.069 0.000 2.712 93 C HA 0.671 5.130 4.460 -0.001 0.000 0.308 93 C C 1.475 176.494 174.990 0.047 0.000 1.201 93 C CA -0.244 58.630 59.018 -0.241 0.000 1.554 93 C CB 1.640 28.820 27.740 -0.935 0.000 2.117 93 C HN 0.977 nan 8.230 nan 0.000 0.480 94 G N -0.447 108.384 108.800 0.051 0.000 2.551 94 G HA2 0.071 4.030 3.960 -0.001 0.000 0.216 94 G HA3 0.071 4.030 3.960 -0.001 0.000 0.216 94 G C 0.421 175.497 174.900 0.294 0.000 1.137 94 G CA 0.784 45.987 45.100 0.172 0.000 0.798 94 G HN 0.808 nan 8.290 nan 0.000 0.536 95 H N -2.541 116.588 119.070 0.098 0.000 2.954 95 H HA 0.223 4.779 4.556 -0.001 0.000 0.361 95 H C -0.843 174.511 175.328 0.044 0.000 1.122 95 H CA -0.807 55.344 56.048 0.173 0.000 1.217 95 H CB 1.428 31.279 29.762 0.148 0.000 1.776 95 H HN 0.047 nan 8.280 nan 0.000 0.533 96 W N 2.105 123.210 121.300 -0.325 0.000 2.893 96 W HA 0.226 4.885 4.660 -0.000 0.000 0.253 96 W C 2.264 178.717 176.519 -0.111 0.000 1.171 96 W CA 0.903 58.159 57.345 -0.148 0.000 1.480 96 W CB 0.094 29.470 29.460 -0.141 0.000 0.963 96 W HN 0.790 nan 8.180 nan 0.000 0.637 97 G N -0.152 108.622 108.800 -0.043 0.000 2.509 97 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 97 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 97 G C 1.305 176.342 174.900 0.229 0.000 1.124 97 G CA 0.950 46.106 45.100 0.093 0.000 0.776 97 G HN 0.176 nan 8.290 nan 0.000 0.547 98 Q N 0.454 120.475 119.800 0.369 0.000 2.172 98 Q HA 0.092 4.432 4.340 -0.001 0.000 0.200 98 Q C 0.993 177.085 176.000 0.155 0.000 0.964 98 Q CA 0.665 56.620 55.803 0.253 0.000 0.855 98 Q CB 0.080 28.945 28.738 0.211 0.000 0.918 98 Q HN 0.281 nan 8.270 nan 0.000 0.444 99 S N 1.607 117.380 115.700 0.121 0.000 2.252 99 S HA 0.236 4.705 4.470 -0.001 0.000 0.180 99 S C -2.163 172.482 174.600 0.075 0.000 1.534 99 S CA -1.089 57.158 58.200 0.078 0.000 1.141 99 S CB 1.141 64.362 63.200 0.036 0.000 1.122 99 S HN 0.290 nan 8.310 nan 0.000 0.475 100 P HA -0.075 nan 4.420 nan 0.000 0.222 100 P C 1.215 178.553 177.300 0.063 0.000 1.147 100 P CA 0.657 63.800 63.100 0.072 0.000 0.790 100 P CB 0.351 32.082 31.700 0.052 0.000 0.780 101 R N -0.345 120.187 120.500 0.053 0.000 2.120 101 R HA -0.015 4.325 4.340 -0.001 0.000 0.234 101 R C 2.363 178.698 176.300 0.059 0.000 1.123 101 R CA 1.025 57.152 56.100 0.045 0.000 0.975 101 R CB -1.086 29.235 30.300 0.035 0.000 0.866 101 R HN 0.184 nan 8.270 nan 0.000 0.446 102 I N 0.082 120.694 120.570 0.070 0.000 2.233 102 I HA -0.189 3.981 4.170 -0.001 0.000 0.243 102 I C 2.038 178.299 176.117 0.240 0.000 1.093 102 I CA 1.617 62.979 61.300 0.102 0.000 1.380 102 I CB -1.272 36.731 38.000 0.006 0.000 1.067 102 I HN 0.215 nan 8.210 nan 0.000 0.413 103 S N 0.432 116.305 115.700 0.288 0.000 2.423 103 S HA -0.169 4.301 4.470 -0.001 0.000 0.231 103 S C 1.541 176.193 174.600 0.086 0.000 1.014 103 S CA 1.057 59.441 58.200 0.307 0.000 0.965 103 S CB -0.430 62.937 63.200 0.278 0.000 0.785 103 S HN 0.323 nan 8.310 nan 0.000 0.495 104 D N 2.051 122.488 120.400 0.061 0.000 2.123 104 D HA -0.014 4.626 4.640 -0.001 0.000 0.196 104 D C 1.916 178.224 176.300 0.012 0.000 0.992 104 D CA 0.976 54.985 54.000 0.015 0.000 0.833 104 D CB -0.423 40.387 40.800 0.017 0.000 0.954 104 D HN 0.386 nan 8.370 nan 0.000 0.455 105 L N 0.412 121.661 121.223 0.044 0.000 2.046 105 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 105 L C 2.505 179.381 176.870 0.010 0.000 1.077 105 L CA 1.110 55.971 54.840 0.036 0.000 0.747 105 L CB -0.447 41.648 42.059 0.059 0.000 0.896 105 L HN -0.007 nan 8.230 nan 0.000 0.432 106 A N 0.023 122.851 122.820 0.014 0.000 1.902 106 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 106 A C 2.128 179.623 177.584 -0.148 0.000 1.181 106 A CA 1.714 53.683 52.037 -0.114 0.000 0.623 106 A CB -0.475 18.337 19.000 -0.314 0.000 0.818 106 A HN 0.418 nan 8.150 nan 0.000 0.443 107 E N -0.373 119.753 120.200 -0.124 0.000 2.085 107 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 107 E C 1.805 178.351 176.600 -0.090 0.000 0.994 107 E CA 1.511 57.838 56.400 -0.122 0.000 0.801 107 E CB -0.144 29.495 29.700 -0.102 0.000 0.743 107 E HN 0.737 nan 8.360 nan 0.000 0.453 108 Q N 0.192 119.954 119.800 -0.062 0.000 2.322 108 Q HA 0.072 4.412 4.340 -0.001 0.000 0.203 108 Q C -0.289 175.685 176.000 -0.042 0.000 0.923 108 Q CA -0.207 55.569 55.803 -0.044 0.000 0.949 108 Q CB 0.318 29.041 28.738 -0.025 0.000 1.039 108 Q HN 0.206 nan 8.270 nan 0.000 0.496 109 N N 0.646 119.310 118.700 -0.061 0.000 2.708 109 N HA -0.213 4.526 4.740 -0.001 0.000 0.249 109 N C 0.162 175.654 175.510 -0.030 0.000 1.097 109 N CA 0.862 53.877 53.050 -0.057 0.000 0.710 109 N CB -0.352 38.104 38.487 -0.051 0.000 1.032 109 N HN 0.397 nan 8.380 nan 0.000 0.551 110 K N -0.106 120.283 120.400 -0.018 0.000 2.356 110 K HA 0.150 4.469 4.320 -0.001 0.000 0.195 110 K C 1.287 177.898 176.600 0.019 0.000 1.037 110 K CA 0.610 56.900 56.287 0.005 0.000 1.014 110 K CB 0.595 33.102 32.500 0.012 0.000 0.815 110 K HN 0.545 nan 8.250 nan 0.000 0.507 111 I N -2.378 118.199 120.570 0.011 0.000 2.969 111 I HA 0.416 4.586 4.170 -0.001 0.000 0.307 111 I C -0.494 175.613 176.117 -0.017 0.000 1.149 111 I CA -1.305 60.016 61.300 0.035 0.000 1.008 111 I CB 1.660 39.705 38.000 0.076 0.000 1.232 111 I HN -0.283 nan 8.210 nan 0.000 0.435 112 I N 3.214 123.786 120.570 0.003 0.000 2.588 112 I HA 0.498 4.668 4.170 -0.001 0.000 0.283 112 I C 0.339 176.290 176.117 -0.276 0.000 1.119 112 I CA 0.117 61.340 61.300 -0.128 0.000 1.419 112 I CB 1.218 39.239 38.000 0.036 0.000 1.394 112 I HN 0.791 nan 8.210 nan 0.000 0.562 113 A N 6.809 129.350 122.820 -0.465 0.000 2.442 113 A HA 0.709 5.028 4.320 -0.001 0.000 0.284 113 A C -1.468 175.782 177.584 -0.557 0.000 1.058 113 A CA -0.373 51.432 52.037 -0.386 0.000 0.738 113 A CB 0.598 19.289 19.000 -0.515 0.000 1.242 113 A HN 0.577 nan 8.150 nan 0.000 0.421 114 Y N 0.595 120.808 120.300 -0.146 0.000 2.524 114 Y HA 0.579 5.128 4.550 -0.001 0.000 0.344 114 Y C 0.437 176.455 175.900 0.197 0.000 1.012 114 Y CA -0.698 57.372 58.100 -0.050 0.000 1.068 114 Y CB 2.402 40.777 38.460 -0.142 0.000 1.249 114 Y HN 0.737 nan 8.280 nan 0.000 0.468 115 N N 1.431 120.379 118.700 0.413 0.000 2.617 115 N HA 0.246 4.986 4.740 -0.001 0.000 0.263 115 N C -1.768 173.997 175.510 0.425 0.000 1.074 115 N CA -0.414 52.926 53.050 0.484 0.000 0.841 115 N CB 0.509 39.293 38.487 0.494 0.000 1.221 115 N HN 0.437 nan 8.380 nan 0.000 0.529 116 Y N 2.068 122.481 120.300 0.188 0.000 2.336 116 Y HA 0.290 4.840 4.550 -0.001 0.000 0.331 116 Y C -1.836 174.096 175.900 0.054 0.000 1.211 116 Y CA -2.281 55.878 58.100 0.098 0.000 1.346 116 Y CB 0.174 38.646 38.460 0.020 0.000 1.271 116 Y HN 0.466 nan 8.280 nan 0.000 0.538 117 P HA -0.056 nan 4.420 nan 0.000 0.264 117 P C 0.680 177.971 177.300 -0.015 0.000 1.183 117 P CA 0.340 63.486 63.100 0.076 0.000 0.763 117 P CB 0.485 32.188 31.700 0.005 0.000 0.807 118 Q N 3.156 122.941 119.800 -0.026 0.000 2.096 118 Q HA -0.220 4.120 4.340 -0.001 0.000 0.208 118 Q C 2.057 177.726 176.000 -0.553 0.000 0.993 118 Q CA 2.492 58.191 55.803 -0.174 0.000 0.862 118 Q CB -0.851 27.844 28.738 -0.072 0.000 0.915 118 Q HN 0.671 nan 8.270 nan 0.000 0.416 119 G N -0.186 107.987 108.800 -1.046 0.000 2.421 119 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.216 119 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.216 119 G C 1.432 176.102 174.900 -0.384 0.000 1.171 119 G CA 1.001 45.326 45.100 -1.291 0.000 0.775 119 G HN 0.316 nan 8.290 nan 0.000 0.543 120 V N 0.787 120.585 119.914 -0.192 0.000 2.332 120 V HA -0.151 3.968 4.120 -0.001 0.000 0.248 120 V C 2.699 178.677 176.094 -0.192 0.000 1.055 120 V CA 1.642 63.786 62.300 -0.261 0.000 1.038 120 V CB -0.496 30.885 31.823 -0.736 0.000 0.651 120 V HN 0.348 nan 8.190 nan 0.000 0.450 121 L N 0.213 121.387 121.223 -0.082 0.000 1.989 121 L HA -0.182 4.158 4.340 -0.001 0.000 0.211 121 L C 2.611 179.485 176.870 0.006 0.000 1.071 121 L CA 2.830 57.717 54.840 0.078 0.000 0.749 121 L CB -1.227 40.873 42.059 0.068 0.000 0.890 121 L HN 0.418 nan 8.230 nan 0.000 0.431 122 T N -1.715 112.804 114.554 -0.058 0.000 2.867 122 T HA -0.196 4.153 4.350 -0.001 0.000 0.268 122 T C 1.845 176.536 174.700 -0.015 0.000 1.057 122 T CA 1.588 63.673 62.100 -0.024 0.000 1.136 122 T CB -0.108 68.755 68.868 -0.009 0.000 0.874 122 T HN 0.562 nan 8.240 nan 0.000 0.466 123 Q N 0.267 120.043 119.800 -0.039 0.000 2.135 123 Q HA -0.104 4.236 4.340 -0.001 0.000 0.204 123 Q C 2.618 178.611 176.000 -0.011 0.000 0.981 123 Q CA 2.030 57.818 55.803 -0.024 0.000 0.856 123 Q CB -0.343 28.377 28.738 -0.030 0.000 0.902 123 Q HN 0.756 nan 8.270 nan 0.000 0.425 124 T N -1.225 113.328 114.554 -0.003 0.000 2.951 124 T HA -0.036 4.313 4.350 -0.001 0.000 0.268 124 T C 1.811 176.535 174.700 0.041 0.000 1.073 124 T CA 0.553 62.672 62.100 0.031 0.000 1.134 124 T CB -0.202 68.738 68.868 0.121 0.000 0.884 124 T HN 0.135 nan 8.240 nan 0.000 0.479 125 L N 0.158 121.402 121.223 0.035 0.000 2.156 125 L HA 0.133 4.472 4.340 -0.001 0.000 0.208 125 L C 3.180 180.070 176.870 0.034 0.000 1.095 125 L CA 1.077 55.937 54.840 0.033 0.000 0.770 125 L CB -0.438 41.638 42.059 0.027 0.000 0.914 125 L HN 0.200 nan 8.230 nan 0.000 0.439 126 R N 0.186 120.700 120.500 0.025 0.000 2.090 126 R HA -0.117 4.223 4.340 -0.001 0.000 0.228 126 R C 2.341 178.660 176.300 0.032 0.000 1.110 126 R CA 1.179 57.293 56.100 0.023 0.000 0.973 126 R CB -0.136 30.171 30.300 0.010 0.000 0.869 126 R HN 0.318 nan 8.270 nan 0.000 0.440 127 A N 0.836 123.675 122.820 0.031 0.000 1.877 127 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 127 A C 2.352 179.976 177.584 0.067 0.000 1.186 127 A CA 1.636 53.697 52.037 0.040 0.000 0.620 127 A CB -0.837 18.178 19.000 0.026 0.000 0.822 127 A HN 0.499 nan 8.150 nan 0.000 0.443 128 A N -0.065 122.794 122.820 0.065 0.000 1.940 128 A HA 0.096 4.415 4.320 -0.001 0.000 0.219 128 A C 2.492 180.167 177.584 0.151 0.000 1.176 128 A CA 2.219 54.307 52.037 0.084 0.000 0.631 128 A CB -1.055 17.974 19.000 0.050 0.000 0.814 128 A HN 1.151 nan 8.150 nan 0.000 0.446 129 A N -0.320 122.566 122.820 0.111 0.000 1.917 129 A HA 0.107 4.426 4.320 -0.001 0.000 0.219 129 A C 2.252 179.897 177.584 0.100 0.000 1.182 129 A CA 2.098 54.201 52.037 0.110 0.000 0.633 129 A CB -0.779 18.258 19.000 0.063 0.000 0.819 129 A HN 1.212 nan 8.150 nan 0.000 0.448 130 A N -2.472 120.401 122.820 0.089 0.000 2.307 130 A HA 0.295 4.614 4.320 -0.001 0.000 0.218 130 A C 0.635 178.296 177.584 0.128 0.000 1.228 130 A CA 0.547 52.614 52.037 0.049 0.000 0.857 130 A CB -0.816 18.205 19.000 0.036 0.000 0.897 130 A HN 0.719 nan 8.150 nan 0.000 0.495 131 H N -1.000 118.085 119.070 0.025 0.000 2.861 131 H HA -0.167 4.389 4.556 -0.001 0.000 0.289 131 H C -0.293 175.054 175.328 0.032 0.000 1.176 131 H CA 0.411 56.474 56.048 0.025 0.000 1.146 131 H CB -1.424 28.350 29.762 0.021 0.000 1.330 131 H HN 0.738 nan 8.280 nan 0.000 0.379 132 Q N 1.244 121.128 119.800 0.139 0.000 2.314 132 Q HA 0.054 4.394 4.340 -0.001 0.000 0.258 132 Q C -1.293 174.763 176.000 0.093 0.000 0.954 132 Q CA -1.449 54.414 55.803 0.100 0.000 0.890 132 Q CB 0.958 29.740 28.738 0.073 0.000 1.210 132 Q HN 0.246 nan 8.270 nan 0.000 0.410 133 P HA -0.010 nan 4.420 nan 0.000 0.222 133 P C 0.124 177.495 177.300 0.118 0.000 1.153 133 P CA 0.748 63.934 63.100 0.144 0.000 0.798 133 P CB 0.542 32.368 31.700 0.211 0.000 0.796 134 G N -0.236 108.606 108.800 0.070 0.000 2.430 134 G HA2 0.509 4.469 3.960 -0.001 0.000 0.300 134 G HA3 0.509 4.469 3.960 -0.001 0.000 0.300 134 G C -1.912 172.916 174.900 -0.120 0.000 1.330 134 G CA -0.645 44.317 45.100 -0.231 0.000 0.813 134 G HN 0.202 nan 8.290 nan 0.000 0.487 135 I N -2.048 118.402 120.570 -0.200 0.000 2.740 135 I HA 0.827 4.996 4.170 -0.001 0.000 0.303 135 I C -0.923 175.212 176.117 0.031 0.000 1.044 135 I CA -1.445 59.828 61.300 -0.045 0.000 1.064 135 I CB 2.232 40.208 38.000 -0.041 0.000 1.249 135 I HN 0.409 nan 8.210 nan 0.000 0.433 136 I N 4.367 124.960 120.570 0.039 0.000 2.321 136 I HA 0.555 4.725 4.170 -0.001 0.000 0.291 136 I C 0.007 176.128 176.117 0.006 0.000 0.998 136 I CA -0.188 61.137 61.300 0.041 0.000 1.227 136 I CB 1.490 39.392 38.000 -0.162 0.000 1.368 136 I HN 0.716 nan 8.210 nan 0.000 0.466 137 S N 3.219 119.010 115.700 0.152 0.000 2.533 137 S HA 0.271 4.741 4.470 -0.001 0.000 0.271 137 S C -0.205 174.564 174.600 0.283 0.000 1.143 137 S CA -0.751 57.549 58.200 0.166 0.000 0.891 137 S CB 1.437 64.686 63.200 0.082 0.000 1.105 137 S HN 0.735 nan 8.310 nan 0.000 0.468 138 D N 2.541 123.107 120.400 0.277 0.000 2.340 138 D HA 0.095 4.734 4.640 -0.001 0.000 0.220 138 D C 0.574 176.903 176.300 0.048 0.000 1.039 138 D CA -0.044 54.050 54.000 0.158 0.000 0.866 138 D CB -0.178 40.670 40.800 0.080 0.000 0.913 138 D HN 0.425 nan 8.370 nan 0.000 0.523 139 I N 1.381 121.949 120.570 -0.003 0.000 2.664 139 I HA 0.286 4.455 4.170 -0.001 0.000 0.284 139 I C 1.767 177.911 176.117 0.045 0.000 1.154 139 I CA 1.130 62.384 61.300 -0.077 0.000 1.402 139 I CB -0.083 37.692 38.000 -0.375 0.000 1.395 139 I HN 0.443 nan 8.210 nan 0.000 0.545 140 G N 6.549 115.371 108.800 0.037 0.000 2.218 140 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.216 140 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.216 140 G C 0.404 175.291 174.900 -0.022 0.000 0.994 140 G CA -0.676 44.444 45.100 0.032 0.000 0.637 140 G HN 0.434 nan 8.290 nan 0.000 0.505 141 I N 1.949 122.505 120.570 -0.025 0.000 2.752 141 I HA 0.302 4.472 4.170 -0.001 0.000 0.289 141 I C 1.847 177.930 176.117 -0.057 0.000 1.197 141 I CA 2.450 63.718 61.300 -0.054 0.000 1.432 141 I CB -0.025 37.938 38.000 -0.063 0.000 1.359 141 I HN 1.320 nan 8.210 nan 0.000 0.571 142 G N 4.293 113.055 108.800 -0.062 0.000 2.159 142 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.256 142 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.256 142 G C 0.340 175.222 174.900 -0.030 0.000 0.977 142 G CA 0.510 45.573 45.100 -0.062 0.000 0.652 142 G HN 0.878 nan 8.290 nan 0.000 0.531 143 T N -2.511 112.039 114.554 -0.008 0.000 2.870 143 T HA 0.643 4.992 4.350 -0.001 0.000 0.277 143 T C 1.358 176.087 174.700 0.049 0.000 1.000 143 T CA 0.043 62.182 62.100 0.066 0.000 0.982 143 T CB 1.059 69.987 68.868 0.101 0.000 1.249 143 T HN 1.100 nan 8.240 nan 0.000 0.589 144 F N 0.764 120.700 119.950 -0.023 0.000 2.333 144 F HA 0.029 4.556 4.527 -0.001 0.000 0.300 144 F C 1.877 177.647 175.800 -0.049 0.000 1.083 144 F CA 0.877 58.844 58.000 -0.055 0.000 1.395 144 F CB -1.060 37.857 39.000 -0.138 0.000 1.056 144 F HN 0.322 nan 8.300 nan 0.000 0.529 145 V N -1.853 117.580 119.914 -0.802 0.000 2.871 145 V HA -0.081 4.039 4.120 -0.001 0.000 0.256 145 V C 0.873 176.796 176.094 -0.286 0.000 1.082 145 V CA 0.866 62.809 62.300 -0.595 0.000 1.105 145 V CB -0.916 30.602 31.823 -0.509 0.000 0.713 145 V HN 0.320 nan 8.190 nan 0.000 0.473 146 D N 2.507 122.787 120.400 -0.200 0.000 2.450 146 D HA 0.084 4.723 4.640 -0.001 0.000 0.247 146 D C -1.242 174.999 176.300 -0.098 0.000 1.162 146 D CA -1.488 52.428 54.000 -0.139 0.000 0.879 146 D CB 1.883 42.629 40.800 -0.089 0.000 1.163 146 D HN 0.232 nan 8.370 nan 0.000 0.472 147 P HA -0.121 nan 4.420 nan 0.000 0.221 147 P C 0.926 178.210 177.300 -0.026 0.000 1.145 147 P CA 0.856 63.928 63.100 -0.047 0.000 0.795 147 P CB 0.220 31.892 31.700 -0.045 0.000 0.775 148 R N -0.775 119.704 120.500 -0.035 0.000 2.328 148 R HA -0.023 4.316 4.340 -0.001 0.000 0.207 148 R C 2.107 178.399 176.300 -0.014 0.000 1.056 148 R CA 0.896 56.980 56.100 -0.026 0.000 1.016 148 R CB -0.174 30.105 30.300 -0.035 0.000 0.872 148 R HN 0.431 nan 8.270 nan 0.000 0.471 149 Q N -0.827 118.969 119.800 -0.006 0.000 2.471 149 Q HA 0.086 4.425 4.340 -0.001 0.000 0.207 149 Q C 1.066 177.091 176.000 0.042 0.000 0.889 149 Q CA 0.026 55.843 55.803 0.023 0.000 0.726 149 Q CB 0.285 29.051 28.738 0.046 0.000 2.132 149 Q HN -0.032 nan 8.270 nan 0.000 0.531 150 Q N -0.554 119.290 119.800 0.074 0.000 2.246 150 Q HA 0.240 4.580 4.340 -0.001 0.000 0.222 150 Q C 0.192 176.236 176.000 0.073 0.000 0.851 150 Q CA 0.546 56.408 55.803 0.097 0.000 0.945 150 Q CB 1.325 30.183 28.738 0.202 0.000 1.122 150 Q HN 0.702 nan 8.270 nan 0.000 0.508 151 G N 0.464 109.274 108.800 0.015 0.000 2.258 151 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.274 151 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.274 151 G C 0.866 175.805 174.900 0.065 0.000 1.021 151 G CA 0.506 45.610 45.100 0.006 0.000 0.798 151 G HN 0.861 nan 8.290 nan 0.000 0.507 152 G N -1.585 107.206 108.800 -0.016 0.000 2.184 152 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.264 152 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.264 152 G C 0.409 175.455 174.900 0.243 0.000 0.975 152 G CA 1.137 46.268 45.100 0.052 0.000 0.642 152 G HN 1.052 nan 8.290 nan 0.000 0.536 153 K N -0.160 120.327 120.400 0.145 0.000 2.276 153 K HA 0.578 4.898 4.320 -0.001 0.000 0.283 153 K C 1.240 177.793 176.600 -0.079 0.000 1.044 153 K CA -0.480 55.756 56.287 -0.085 0.000 0.944 153 K CB 1.150 33.586 32.500 -0.106 0.000 1.012 153 K HN 0.157 nan 8.250 nan 0.000 0.472 154 L N 1.871 122.945 121.223 -0.249 0.000 2.513 154 L HA 0.017 4.357 4.340 -0.001 0.000 0.222 154 L C 0.370 177.084 176.870 -0.260 0.000 1.096 154 L CA 0.111 54.780 54.840 -0.285 0.000 0.857 154 L CB -0.178 41.554 42.059 -0.545 0.000 1.026 154 L HN 0.757 nan 8.230 nan 0.000 0.469 155 N N -2.986 115.570 118.700 -0.241 0.000 3.204 155 N HA 0.025 4.764 4.740 -0.001 0.000 0.285 155 N C 0.401 175.827 175.510 -0.141 0.000 1.536 155 N CA -0.672 52.267 53.050 -0.185 0.000 0.832 155 N CB 0.413 38.782 38.487 -0.196 0.000 1.645 155 N HN -0.220 nan 8.380 nan 0.000 0.586 156 E N -0.278 119.859 120.200 -0.105 0.000 2.072 156 E HA -0.072 4.277 4.350 -0.001 0.000 0.190 156 E C 1.159 177.718 176.600 -0.068 0.000 0.982 156 E CA 0.929 57.285 56.400 -0.073 0.000 0.803 156 E CB -0.027 29.640 29.700 -0.054 0.000 0.755 156 E HN 0.369 nan 8.360 nan 0.000 0.453 157 V N 1.394 121.263 119.914 -0.075 0.000 2.759 157 V HA -0.082 4.038 4.120 -0.001 0.000 0.256 157 V C 0.573 176.628 176.094 -0.065 0.000 1.080 157 V CA 1.404 63.672 62.300 -0.053 0.000 1.101 157 V CB -0.338 31.460 31.823 -0.042 0.000 0.698 157 V HN 0.140 nan 8.190 nan 0.000 0.477 158 T N 1.938 116.409 114.554 -0.139 0.000 2.752 158 T HA 0.188 4.538 4.350 -0.001 0.000 0.295 158 T C 0.770 175.407 174.700 -0.105 0.000 0.923 158 T CA -0.149 61.823 62.100 -0.214 0.000 1.112 158 T CB 0.791 69.369 68.868 -0.483 0.000 0.884 158 T HN 0.320 nan 8.240 nan 0.000 0.525 159 K N 1.866 122.273 120.400 0.011 0.000 2.424 159 K HA 0.147 4.466 4.320 -0.001 0.000 0.200 159 K C 0.811 177.499 176.600 0.148 0.000 1.279 159 K CA -0.014 56.313 56.287 0.067 0.000 0.918 159 K CB 0.241 32.778 32.500 0.062 0.000 1.287 159 K HN 0.583 nan 8.250 nan 0.000 0.502 160 E N 3.075 123.419 120.200 0.239 0.000 2.417 160 E HA -0.052 4.297 4.350 -0.001 0.000 0.261 160 E C -0.881 175.899 176.600 0.300 0.000 1.000 160 E CA 0.051 56.608 56.400 0.262 0.000 0.919 160 E CB 0.450 30.328 29.700 0.296 0.000 0.955 160 E HN -0.015 nan 8.360 nan 0.000 0.455 161 D N 5.334 125.849 120.400 0.192 0.000 2.339 161 D HA 0.059 4.698 4.640 -0.001 0.000 0.256 161 D C 0.774 177.158 176.300 0.140 0.000 1.214 161 D CA 0.167 54.266 54.000 0.165 0.000 0.877 161 D CB 1.055 41.918 40.800 0.105 0.000 1.111 161 D HN 0.487 nan 8.370 nan 0.000 0.478 162 L N 2.055 123.354 121.223 0.127 0.000 2.470 162 L HA 0.250 4.589 4.340 -0.001 0.000 0.219 162 L C 0.745 177.659 176.870 0.072 0.000 1.071 162 L CA 0.380 55.271 54.840 0.086 0.000 0.850 162 L CB 0.264 42.321 42.059 -0.003 0.000 1.040 162 L HN 0.221 nan 8.230 nan 0.000 0.475 163 I N 0.396 120.971 120.570 0.010 0.000 2.404 163 I HA 0.270 4.440 4.170 -0.001 0.000 0.293 163 I C -0.259 175.817 176.117 -0.068 0.000 0.992 163 I CA -0.355 60.845 61.300 -0.167 0.000 1.149 163 I CB 1.891 39.669 38.000 -0.371 0.000 1.315 163 I HN -0.076 nan 8.210 nan 0.000 0.446 164 K N 5.677 126.067 120.400 -0.017 0.000 2.371 164 K HA 0.549 4.869 4.320 -0.001 0.000 0.251 164 K C -1.534 175.073 176.600 0.012 0.000 0.934 164 K CA -0.838 55.470 56.287 0.034 0.000 0.798 164 K CB 2.251 34.817 32.500 0.109 0.000 1.204 164 K HN 0.431 nan 8.250 nan 0.000 0.427 165 L N 5.228 126.445 121.223 -0.009 0.000 2.305 165 L HA 0.405 4.744 4.340 -0.001 0.000 0.281 165 L C -0.806 176.073 176.870 0.015 0.000 1.085 165 L CA -0.025 54.813 54.840 -0.004 0.000 0.813 165 L CB 1.242 43.284 42.059 -0.028 0.000 1.157 165 L HN 0.478 nan 8.230 nan 0.000 0.436 166 V N 1.516 121.471 119.914 0.068 0.000 3.158 166 V HA 0.717 4.837 4.120 -0.001 0.000 0.311 166 V C -0.915 175.221 176.094 0.071 0.000 1.181 166 V CA -0.833 61.497 62.300 0.050 0.000 1.054 166 V CB 1.891 33.801 31.823 0.145 0.000 1.085 166 V HN 0.836 nan 8.190 nan 0.000 0.446 167 E N 0.317 120.454 120.200 -0.106 0.000 2.256 167 E HA 0.698 5.047 4.350 -0.001 0.000 0.268 167 E C -2.284 174.120 176.600 -0.327 0.000 0.877 167 E CA -0.522 55.833 56.400 -0.076 0.000 0.757 167 E CB 2.115 31.747 29.700 -0.114 0.000 1.183 167 E HN 0.660 nan 8.360 nan 0.000 0.418 168 F N 1.923 122.019 119.950 0.244 0.000 2.596 168 F HA 0.222 4.748 4.527 -0.001 0.000 0.311 168 F C -0.160 175.778 175.800 0.230 0.000 1.116 168 F CA -0.802 57.312 58.000 0.190 0.000 0.957 168 F CB 1.861 40.923 39.000 0.103 0.000 1.250 168 F HN 0.453 nan 8.300 nan 0.000 0.444 169 D N 1.935 122.512 120.400 0.295 0.000 2.811 169 D HA -0.279 4.360 4.640 -0.001 0.000 0.231 169 D C 0.023 176.401 176.300 0.129 0.000 1.157 169 D CA 1.289 55.404 54.000 0.192 0.000 0.716 169 D CB -1.064 39.863 40.800 0.212 0.000 1.077 169 D HN 0.858 nan 8.370 nan 0.000 0.428 170 N N -1.081 117.672 118.700 0.088 0.000 2.741 170 N HA -0.213 4.526 4.740 -0.001 0.000 0.251 170 N C -0.663 174.851 175.510 0.007 0.000 1.112 170 N CA 1.554 54.623 53.050 0.031 0.000 0.750 170 N CB -0.152 38.346 38.487 0.018 0.000 1.119 170 N HN 0.492 nan 8.380 nan 0.000 0.561 171 K N 0.314 120.728 120.400 0.023 0.000 2.340 171 K HA 0.373 4.693 4.320 -0.001 0.000 0.244 171 K C -0.351 176.095 176.600 -0.257 0.000 0.973 171 K CA -0.719 55.478 56.287 -0.149 0.000 0.828 171 K CB 1.740 34.090 32.500 -0.250 0.000 1.226 171 K HN 0.097 nan 8.250 nan 0.000 0.437 172 E N 1.119 121.104 120.200 -0.358 0.000 2.283 172 E HA 0.248 4.597 4.350 -0.001 0.000 0.278 172 E C -1.172 175.125 176.600 -0.505 0.000 1.027 172 E CA -0.111 56.125 56.400 -0.274 0.000 0.843 172 E CB 0.684 30.277 29.700 -0.178 0.000 1.062 172 E HN 0.296 nan 8.360 nan 0.000 0.401 173 Y N 0.658 120.997 120.300 0.065 0.000 2.588 173 Y HA 0.366 4.916 4.550 -0.001 0.000 0.343 173 Y C -0.356 175.569 175.900 0.043 0.000 1.065 173 Y CA -0.963 57.181 58.100 0.075 0.000 1.038 173 Y CB 1.150 39.699 38.460 0.148 0.000 1.297 173 Y HN 0.269 nan 8.280 nan 0.000 0.467 174 L N 1.794 123.121 121.223 0.173 0.000 2.343 174 L HA 0.375 4.715 4.340 -0.001 0.000 0.275 174 L C -1.201 175.703 176.870 0.056 0.000 1.056 174 L CA -0.961 53.865 54.840 -0.025 0.000 0.804 174 L CB 1.198 43.062 42.059 -0.325 0.000 1.203 174 L HN 0.628 nan 8.230 nan 0.000 0.440 175 Y N 2.394 122.611 120.300 -0.138 0.000 2.334 175 Y HA 0.393 4.943 4.550 -0.001 0.000 0.336 175 Y C -1.187 174.607 175.900 -0.176 0.000 0.960 175 Y CA -0.678 57.392 58.100 -0.050 0.000 1.164 175 Y CB 0.667 39.141 38.460 0.023 0.000 1.155 175 Y HN 0.292 nan 8.280 nan 0.000 0.478 176 Y N 5.404 125.374 120.300 -0.551 0.000 2.335 176 Y HA 0.296 4.846 4.550 -0.001 0.000 0.339 176 Y C 0.281 175.790 175.900 -0.652 0.000 0.987 176 Y CA -0.872 56.872 58.100 -0.594 0.000 1.140 176 Y CB 1.122 39.160 38.460 -0.704 0.000 1.173 176 Y HN 0.492 nan 8.280 nan 0.000 0.486 177 K N 2.656 122.928 120.400 -0.212 0.000 2.412 177 K HA 0.423 4.742 4.320 -0.001 0.000 0.281 177 K C -0.321 176.324 176.600 0.075 0.000 1.027 177 K CA -0.223 56.008 56.287 -0.094 0.000 0.989 177 K CB 0.354 32.903 32.500 0.081 0.000 0.935 177 K HN 0.811 nan 8.250 nan 0.000 0.475 178 A N 5.847 128.673 122.820 0.010 0.000 2.309 178 A HA 0.351 4.670 4.320 -0.001 0.000 0.290 178 A C -0.374 177.234 177.584 0.039 0.000 1.206 178 A CA -0.538 51.530 52.037 0.052 0.000 0.850 178 A CB -0.050 18.966 19.000 0.027 0.000 1.118 178 A HN 0.761 nan 8.150 nan 0.000 0.523 179 I N 2.476 123.069 120.570 0.037 0.000 2.362 179 I HA 0.455 4.624 4.170 -0.001 0.000 0.289 179 I C 0.662 176.769 176.117 -0.018 0.000 0.994 179 I CA -0.184 61.110 61.300 -0.010 0.000 1.158 179 I CB 1.895 39.883 38.000 -0.019 0.000 1.315 179 I HN 0.685 nan 8.210 nan 0.000 0.451 180 A N 8.341 131.137 122.820 -0.041 0.000 2.328 180 A HA 0.722 5.041 4.320 -0.001 0.000 0.284 180 A C -2.469 175.085 177.584 -0.049 0.000 1.160 180 A CA -1.291 50.728 52.037 -0.029 0.000 0.818 180 A CB -0.129 18.850 19.000 -0.035 0.000 1.087 180 A HN 0.391 nan 8.150 nan 0.000 0.504 181 P HA 0.327 nan 4.420 nan 0.000 0.278 181 P C -0.354 176.922 177.300 -0.041 0.000 1.258 181 P CA -0.320 62.753 63.100 -0.046 0.000 0.811 181 P CB 0.890 32.571 31.700 -0.031 0.000 1.063 182 D N -0.371 119.996 120.400 -0.053 0.000 2.355 182 D HA 0.151 4.790 4.640 -0.001 0.000 0.206 182 D C 0.409 176.695 176.300 -0.023 0.000 1.010 182 D CA 1.102 55.079 54.000 -0.039 0.000 0.875 182 D CB 0.434 41.206 40.800 -0.047 0.000 0.966 182 D HN 0.212 nan 8.370 nan 0.000 0.512 183 I N 0.508 121.052 120.570 -0.043 0.000 2.722 183 I HA 0.519 4.689 4.170 -0.001 0.000 0.295 183 I C -0.834 175.243 176.117 -0.067 0.000 1.161 183 I CA -1.049 60.226 61.300 -0.042 0.000 1.032 183 I CB 1.981 39.930 38.000 -0.085 0.000 1.244 183 I HN -0.282 nan 8.210 nan 0.000 0.421 184 A N 5.473 128.298 122.820 0.007 0.000 2.356 184 A HA 0.808 5.127 4.320 -0.001 0.000 0.310 184 A C -1.394 176.326 177.584 0.226 0.000 1.075 184 A CA -0.377 51.686 52.037 0.044 0.000 0.746 184 A CB 1.042 20.085 19.000 0.072 0.000 1.221 184 A HN 0.396 nan 8.150 nan 0.000 0.443 185 F N 3.526 123.494 119.950 0.030 0.000 2.303 185 F HA 0.414 4.941 4.527 -0.001 0.000 0.368 185 F C 0.566 176.386 175.800 0.032 0.000 1.105 185 F CA -1.307 56.711 58.000 0.029 0.000 1.153 185 F CB 0.221 39.239 39.000 0.031 0.000 1.362 185 F HN 0.571 nan 8.300 nan 0.000 0.511 186 I N 0.684 121.375 120.570 0.202 0.000 3.449 186 I HA 0.817 4.987 4.170 -0.001 0.000 0.294 186 I C -0.577 175.584 176.117 0.072 0.000 1.163 186 I CA -1.221 60.160 61.300 0.135 0.000 1.010 186 I CB 2.454 40.530 38.000 0.126 0.000 1.307 186 I HN 0.435 nan 8.210 nan 0.000 0.518 187 R N 1.240 121.772 120.500 0.054 0.000 2.629 187 R HA 0.805 5.144 4.340 -0.001 0.000 0.266 187 R C -2.062 174.100 176.300 -0.230 0.000 1.051 187 R CA -0.337 55.732 56.100 -0.052 0.000 0.895 187 R CB 2.172 32.457 30.300 -0.025 0.000 1.246 187 R HN 1.090 nan 8.270 nan 0.000 0.459 188 A N 1.047 123.624 122.820 -0.405 0.000 2.567 188 A HA 0.504 4.824 4.320 -0.001 0.000 0.289 188 A C 0.079 177.379 177.584 -0.472 0.000 1.177 188 A CA -0.479 51.035 52.037 -0.870 0.000 0.694 188 A CB 1.423 19.902 19.000 -0.870 0.000 1.292 188 A HN 0.686 nan 8.150 nan 0.000 0.425 189 T N 0.486 114.777 114.554 -0.438 0.000 2.809 189 T HA 0.189 4.539 4.350 -0.001 0.000 0.260 189 T C 0.397 175.013 174.700 -0.141 0.000 1.039 189 T CA 2.026 64.007 62.100 -0.200 0.000 1.141 189 T CB -0.119 68.680 68.868 -0.116 0.000 0.869 189 T HN 0.754 nan 8.240 nan 0.000 0.437 190 T N 1.101 115.574 114.554 -0.135 0.000 2.933 190 T HA 0.568 4.918 4.350 -0.001 0.000 0.305 190 T C -0.769 173.898 174.700 -0.054 0.000 1.092 190 T CA -0.959 61.100 62.100 -0.068 0.000 1.008 190 T CB 1.656 70.506 68.868 -0.029 0.000 1.102 190 T HN 0.555 nan 8.240 nan 0.000 0.469 191 C N 1.510 120.794 119.300 -0.028 0.000 3.080 191 C HA 0.961 5.420 4.460 -0.001 0.000 0.307 191 C C -0.333 174.674 174.990 0.028 0.000 1.311 191 C CA -1.064 57.958 59.018 0.005 0.000 1.533 191 C CB 1.285 29.017 27.740 -0.014 0.000 1.970 191 C HN 0.948 nan 8.230 nan 0.000 0.467 192 D N 0.745 121.186 120.400 0.069 0.000 2.478 192 D HA 0.298 4.938 4.640 -0.001 0.000 0.269 192 D C 1.268 177.607 176.300 0.065 0.000 1.232 192 D CA 0.187 54.225 54.000 0.064 0.000 1.059 192 D CB 0.620 41.459 40.800 0.065 0.000 1.104 192 D HN 0.841 nan 8.370 nan 0.000 0.566 193 S N -1.304 114.428 115.700 0.053 0.000 2.469 193 S HA -0.153 4.317 4.470 -0.001 0.000 0.238 193 S C 0.991 175.632 174.600 0.067 0.000 0.998 193 S CA 0.730 58.957 58.200 0.045 0.000 0.957 193 S CB -0.569 62.650 63.200 0.032 0.000 0.764 193 S HN 0.612 nan 8.310 nan 0.000 0.514 194 E N 0.401 120.675 120.200 0.123 0.000 2.481 194 E HA 0.323 4.673 4.350 -0.001 0.000 0.198 194 E C 1.092 177.760 176.600 0.114 0.000 1.027 194 E CA 0.164 56.663 56.400 0.165 0.000 0.900 194 E CB 0.315 30.182 29.700 0.279 0.000 0.993 194 E HN 0.665 nan 8.360 nan 0.000 0.482 195 G N 1.166 110.013 108.800 0.077 0.000 2.175 195 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.244 195 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.244 195 G C -0.172 174.673 174.900 -0.093 0.000 0.982 195 G CA -0.376 44.702 45.100 -0.036 0.000 0.641 195 G HN 0.277 nan 8.290 nan 0.000 0.527 196 Y N 1.377 121.647 120.300 -0.050 0.000 2.569 196 Y HA 0.414 4.964 4.550 -0.001 0.000 0.332 196 Y C 0.916 176.801 175.900 -0.025 0.000 1.120 196 Y CA 0.690 58.758 58.100 -0.053 0.000 1.416 196 Y CB 0.903 39.339 38.460 -0.039 0.000 1.210 196 Y HN 0.509 nan 8.280 nan 0.000 0.528 197 A N 2.938 125.809 122.820 0.085 0.000 2.355 197 A HA 0.727 5.047 4.320 -0.001 0.000 0.317 197 A C -0.185 177.497 177.584 0.164 0.000 1.094 197 A CA -0.610 51.471 52.037 0.072 0.000 0.764 197 A CB 0.718 19.734 19.000 0.026 0.000 1.230 197 A HN 0.668 nan 8.150 nan 0.000 0.448 198 T N -1.753 112.869 114.554 0.112 0.000 2.940 198 T HA 0.704 5.054 4.350 -0.001 0.000 0.288 198 T C -0.446 174.350 174.700 0.161 0.000 1.033 198 T CA -0.370 61.856 62.100 0.210 0.000 1.033 198 T CB 0.959 69.903 68.868 0.127 0.000 1.079 198 T HN 0.352 nan 8.240 nan 0.000 0.496 199 F N 0.779 120.776 119.950 0.078 0.000 2.850 199 F HA 0.216 4.743 4.527 -0.001 0.000 0.329 199 F C 2.139 177.997 175.800 0.095 0.000 1.182 199 F CA -0.802 57.270 58.000 0.121 0.000 1.270 199 F CB 0.661 39.824 39.000 0.272 0.000 0.979 199 F HN 0.750 nan 8.300 nan 0.000 0.506 200 E N -0.071 120.226 120.200 0.162 0.000 2.118 200 E HA -0.221 4.129 4.350 -0.001 0.000 0.195 200 E C 0.371 177.003 176.600 0.054 0.000 0.992 200 E CA 1.782 58.238 56.400 0.093 0.000 0.804 200 E CB -0.135 29.591 29.700 0.044 0.000 0.741 200 E HN 0.341 nan 8.360 nan 0.000 0.458 201 D N 0.719 121.141 120.400 0.036 0.000 2.398 201 D HA 0.081 4.721 4.640 -0.001 0.000 0.210 201 D C -0.131 176.180 176.300 0.019 0.000 1.094 201 D CA -0.024 53.987 54.000 0.018 0.000 0.839 201 D CB 0.346 41.148 40.800 0.004 0.000 0.963 201 D HN 0.107 nan 8.370 nan 0.000 0.506 202 E N 0.633 120.860 120.200 0.045 0.000 2.390 202 E HA 0.057 4.406 4.350 -0.001 0.000 0.261 202 E C 1.615 178.223 176.600 0.014 0.000 1.076 202 E CA -0.262 56.170 56.400 0.052 0.000 0.905 202 E CB 1.754 31.550 29.700 0.160 0.000 0.984 202 E HN -0.183 nan 8.360 nan 0.000 0.427 203 V N 1.546 121.456 119.914 -0.006 0.000 2.490 203 V HA -0.168 3.951 4.120 -0.001 0.000 0.250 203 V C 1.173 177.199 176.094 -0.113 0.000 1.061 203 V CA 2.058 64.332 62.300 -0.043 0.000 1.064 203 V CB -0.827 30.974 31.823 -0.036 0.000 0.670 203 V HN 0.702 nan 8.190 nan 0.000 0.461 204 M N -3.786 115.738 119.600 -0.127 0.000 3.782 204 M HA 0.348 4.827 4.480 -0.001 0.000 0.341 204 M C -0.325 175.839 176.300 -0.227 0.000 1.544 204 M CA -0.548 54.561 55.300 -0.318 0.000 0.892 204 M CB 1.144 33.619 32.600 -0.208 0.000 2.101 204 M HN -0.184 nan 8.290 nan 0.000 0.498 205 Y N -0.008 120.266 120.300 -0.043 0.000 2.535 205 Y HA 0.542 5.091 4.550 -0.001 0.000 0.266 205 Y C 1.279 177.124 175.900 -0.092 0.000 1.088 205 Y CA -0.104 57.887 58.100 -0.180 0.000 1.285 205 Y CB -0.243 38.012 38.460 -0.342 0.000 1.166 205 Y HN 0.644 nan 8.280 nan 0.000 0.525 206 L N -0.005 121.271 121.223 0.088 0.000 6.780 206 L HA -0.381 3.959 4.340 -0.001 0.000 0.053 206 L C 0.163 177.071 176.870 0.063 0.000 1.778 206 L CA 1.709 56.595 54.840 0.077 0.000 1.657 206 L CB -0.795 41.317 42.059 0.089 0.000 2.738 206 L HN 0.340 nan 8.230 nan 0.000 1.065 207 D N -0.453 119.983 120.400 0.061 0.000 2.772 207 D HA 0.449 5.088 4.640 -0.001 0.000 0.272 207 D C 0.838 177.155 176.300 0.028 0.000 1.314 207 D CA 0.317 54.337 54.000 0.033 0.000 0.835 207 D CB 0.594 41.420 40.800 0.043 0.000 1.080 207 D HN 0.630 nan 8.370 nan 0.000 0.482 208 A N 0.470 123.312 122.820 0.036 0.000 1.883 208 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 208 A C 1.943 179.543 177.584 0.026 0.000 1.186 208 A CA 1.316 53.400 52.037 0.078 0.000 0.624 208 A CB -0.565 18.555 19.000 0.201 0.000 0.822 208 A HN 0.372 nan 8.150 nan 0.000 0.444 209 L N -0.203 120.989 121.223 -0.051 0.000 2.017 209 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 209 L C 2.395 179.244 176.870 -0.035 0.000 1.073 209 L CA 1.924 56.723 54.840 -0.068 0.000 0.745 209 L CB -0.570 41.413 42.059 -0.126 0.000 0.894 209 L HN 0.143 nan 8.230 nan 0.000 0.432 210 V N 0.055 119.955 119.914 -0.024 0.000 2.332 210 V HA -0.346 3.773 4.120 -0.001 0.000 0.248 210 V C 2.516 178.621 176.094 0.019 0.000 1.055 210 V CA 2.367 64.666 62.300 -0.001 0.000 1.038 210 V CB -0.494 31.331 31.823 0.003 0.000 0.651 210 V HN 0.457 nan 8.190 nan 0.000 0.450 211 I N 0.106 120.692 120.570 0.026 0.000 2.179 211 I HA -0.230 3.939 4.170 -0.001 0.000 0.242 211 I C 2.669 178.812 176.117 0.044 0.000 1.088 211 I CA 1.468 62.791 61.300 0.038 0.000 1.357 211 I CB -0.644 37.385 38.000 0.049 0.000 1.051 211 I HN 0.297 nan 8.210 nan 0.000 0.409 212 A N 0.286 123.127 122.820 0.035 0.000 1.908 212 A HA -0.268 4.052 4.320 -0.001 0.000 0.218 212 A C 2.264 179.880 177.584 0.054 0.000 1.181 212 A CA 1.669 53.726 52.037 0.032 0.000 0.627 212 A CB -0.667 18.325 19.000 -0.014 0.000 0.818 212 A HN 0.478 nan 8.150 nan 0.000 0.445 213 Q N -0.770 119.050 119.800 0.034 0.000 2.084 213 Q HA -0.097 4.242 4.340 -0.001 0.000 0.202 213 Q C 2.449 178.518 176.000 0.115 0.000 0.978 213 Q CA 1.326 57.171 55.803 0.069 0.000 0.844 213 Q CB -0.378 28.380 28.738 0.032 0.000 0.898 213 Q HN 0.695 nan 8.270 nan 0.000 0.426 214 A N 0.328 123.198 122.820 0.084 0.000 1.877 214 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 214 A C 2.330 179.967 177.584 0.088 0.000 1.186 214 A CA 1.374 53.463 52.037 0.086 0.000 0.620 214 A CB -0.689 18.346 19.000 0.057 0.000 0.822 214 A HN 0.203 nan 8.150 nan 0.000 0.443 215 V N -0.534 119.427 119.914 0.079 0.000 2.307 215 V HA -0.270 3.850 4.120 -0.001 0.000 0.245 215 V C 2.450 178.598 176.094 0.091 0.000 1.045 215 V CA 2.490 64.830 62.300 0.066 0.000 1.024 215 V CB -1.097 30.759 31.823 0.056 0.000 0.651 215 V HN 0.831 nan 8.190 nan 0.000 0.449 216 H N 1.198 120.288 119.070 0.033 0.000 2.289 216 H HA -0.180 4.375 4.556 -0.001 0.000 0.296 216 H C 2.025 177.386 175.328 0.055 0.000 1.091 216 H CA 2.294 58.365 56.048 0.039 0.000 1.274 216 H CB -0.105 29.681 29.762 0.040 0.000 1.364 216 H HN 0.324 nan 8.280 nan 0.000 0.490 217 N N 0.198 118.976 118.700 0.130 0.000 2.571 217 N HA -0.103 4.637 4.740 -0.001 0.000 0.189 217 N C 0.621 176.245 175.510 0.190 0.000 1.154 217 N CA 0.542 53.654 53.050 0.104 0.000 0.907 217 N CB -0.195 38.360 38.487 0.113 0.000 0.977 217 N HN 0.427 nan 8.380 nan 0.000 0.449 218 N N 0.062 118.818 118.700 0.092 0.000 2.251 218 N HA 0.106 4.846 4.740 -0.001 0.000 0.217 218 N C 0.477 175.980 175.510 -0.010 0.000 1.124 218 N CA 0.161 53.237 53.050 0.043 0.000 0.843 218 N CB -0.079 38.414 38.487 0.010 0.000 1.024 218 N HN 0.125 nan 8.380 nan 0.000 0.501 219 G N -0.549 108.222 108.800 -0.048 0.000 2.283 219 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.280 219 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.280 219 G C 0.480 175.351 174.900 -0.047 0.000 1.029 219 G CA 0.420 45.475 45.100 -0.073 0.000 0.840 219 G HN 0.614 nan 8.290 nan 0.000 0.505 220 G N -1.256 107.524 108.800 -0.034 0.000 2.568 220 G HA2 0.687 4.647 3.960 -0.001 0.000 0.293 220 G HA3 0.687 4.647 3.960 -0.001 0.000 0.293 220 G C -0.096 174.809 174.900 0.009 0.000 1.347 220 G CA -1.108 43.988 45.100 -0.006 0.000 1.039 220 G HN 0.627 nan 8.290 nan 0.000 0.523 221 I N 0.518 121.103 120.570 0.025 0.000 2.355 221 I HA 0.236 4.405 4.170 -0.001 0.000 0.288 221 I C -0.514 175.636 176.117 0.056 0.000 0.999 221 I CA -0.668 60.651 61.300 0.031 0.000 1.163 221 I CB 1.953 39.968 38.000 0.025 0.000 1.316 221 I HN -0.061 nan 8.210 nan 0.000 0.454 222 V N 7.543 127.495 119.914 0.062 0.000 2.385 222 V HA 0.336 4.455 4.120 -0.001 0.000 0.269 222 V C 0.299 176.431 176.094 0.063 0.000 1.043 222 V CA -0.155 62.189 62.300 0.073 0.000 0.906 222 V CB 1.008 32.870 31.823 0.065 0.000 0.995 222 V HN 0.650 nan 8.190 nan 0.000 0.467 223 M N 6.524 126.193 119.600 0.114 0.000 2.227 223 M HA 0.570 5.049 4.480 -0.001 0.000 0.335 223 M C -0.601 175.739 176.300 0.067 0.000 1.053 223 M CA -0.125 55.229 55.300 0.091 0.000 0.973 223 M CB 1.799 34.495 32.600 0.160 0.000 1.623 223 M HN 0.586 nan 8.290 nan 0.000 0.434 224 M N 3.533 123.136 119.600 0.006 0.000 2.190 224 M HA 0.328 4.808 4.480 -0.001 0.000 0.312 224 M C -1.023 175.247 176.300 -0.050 0.000 0.990 224 M CA -0.461 54.831 55.300 -0.013 0.000 0.927 224 M CB 1.970 34.556 32.600 -0.022 0.000 1.571 224 M HN 0.716 nan 8.290 nan 0.000 0.427 225 Q N 4.423 124.184 119.800 -0.064 0.000 2.288 225 Q HA 0.554 4.893 4.340 -0.001 0.000 0.258 225 Q C -1.274 174.673 176.000 -0.089 0.000 0.957 225 Q CA -0.537 55.218 55.803 -0.079 0.000 0.919 225 Q CB 1.040 29.727 28.738 -0.084 0.000 1.185 225 Q HN 0.682 nan 8.270 nan 0.000 0.408 226 V N 0.924 120.789 119.914 -0.082 0.000 3.074 226 V HA 0.308 4.428 4.120 -0.001 0.000 0.314 226 V C 0.446 176.498 176.094 -0.070 0.000 1.117 226 V CA -0.782 61.461 62.300 -0.095 0.000 1.014 226 V CB 1.871 33.640 31.823 -0.090 0.000 1.057 226 V HN 0.924 nan 8.190 nan 0.000 0.438 227 Q N 1.346 121.105 119.800 -0.069 0.000 2.187 227 Q HA 0.101 4.441 4.340 -0.001 0.000 0.199 227 Q C 0.365 176.344 176.000 -0.035 0.000 0.957 227 Q CA 1.573 57.348 55.803 -0.046 0.000 0.857 227 Q CB 0.311 29.024 28.738 -0.042 0.000 0.929 227 Q HN 0.924 nan 8.270 nan 0.000 0.453 228 K N -1.257 119.120 120.400 -0.038 0.000 2.579 228 K HA 0.465 4.784 4.320 -0.001 0.000 0.284 228 K C -1.298 175.288 176.600 -0.024 0.000 0.990 228 K CA -0.709 55.563 56.287 -0.025 0.000 0.880 228 K CB 1.256 33.746 32.500 -0.018 0.000 1.488 228 K HN -0.091 nan 8.250 nan 0.000 0.425 229 M N 2.049 121.641 119.600 -0.014 0.000 2.535 229 M HA 0.458 4.938 4.480 -0.001 0.000 0.314 229 M C -0.556 175.743 176.300 -0.001 0.000 1.153 229 M CA -1.111 54.185 55.300 -0.007 0.000 0.924 229 M CB 2.279 34.876 32.600 -0.005 0.000 1.710 229 M HN 0.660 nan 8.290 nan 0.000 0.451 230 V N -0.944 118.972 119.914 0.005 0.000 3.155 230 V HA 0.609 4.729 4.120 -0.001 0.000 0.313 230 V C -0.525 175.574 176.094 0.008 0.000 1.162 230 V CA -1.179 61.124 62.300 0.005 0.000 1.048 230 V CB 1.837 33.664 31.823 0.006 0.000 1.092 230 V HN 0.889 nan 8.190 nan 0.000 0.447 231 K N 1.594 121.995 120.400 0.003 0.000 2.448 231 K HA 0.110 4.430 4.320 -0.001 0.000 0.278 231 K C 0.318 176.916 176.600 -0.004 0.000 1.009 231 K CA -0.120 56.166 56.287 -0.000 0.000 0.995 231 K CB 0.409 32.906 32.500 -0.006 0.000 0.917 231 K HN 0.882 nan 8.250 nan 0.000 0.481 232 K N 2.778 123.176 120.400 -0.003 0.000 2.543 232 K HA -0.154 4.165 4.320 -0.001 0.000 0.279 232 K C -0.020 176.551 176.600 -0.048 0.000 1.001 232 K CA 1.092 57.370 56.287 -0.015 0.000 1.088 232 K CB 0.002 32.497 32.500 -0.009 0.000 0.863 232 K HN 0.792 nan 8.250 nan 0.000 0.488 233 A N 2.429 125.194 122.820 -0.091 0.000 2.872 233 A HA -0.169 4.151 4.320 -0.001 0.000 0.273 233 A C 0.789 178.321 177.584 -0.086 0.000 1.442 233 A CA 1.719 53.679 52.037 -0.128 0.000 0.801 233 A CB -2.633 16.290 19.000 -0.129 0.000 1.031 233 A HN 1.020 nan 8.150 nan 0.000 0.582 234 T N -2.766 111.755 114.554 -0.055 0.000 3.044 234 T HA 0.579 4.929 4.350 -0.001 0.000 0.260 234 T C 0.497 175.185 174.700 -0.020 0.000 1.019 234 T CA 0.336 62.414 62.100 -0.037 0.000 0.921 234 T CB -0.117 68.739 68.868 -0.021 0.000 1.053 234 T HN 0.557 nan 8.240 nan 0.000 0.533 235 L N 2.060 123.274 121.223 -0.014 0.000 2.418 235 L HA 0.385 4.724 4.340 -0.001 0.000 0.265 235 L C 0.812 177.699 176.870 0.028 0.000 1.143 235 L CA -1.159 53.697 54.840 0.027 0.000 0.809 235 L CB 0.416 42.505 42.059 0.049 0.000 1.124 235 L HN 0.292 nan 8.230 nan 0.000 0.456 236 H N 4.438 123.501 119.070 -0.011 0.000 2.929 236 H HA 0.055 4.611 4.556 -0.001 0.000 0.317 236 H C -1.720 173.600 175.328 -0.013 0.000 1.031 236 H CA -1.515 54.524 56.048 -0.015 0.000 1.466 236 H CB 1.512 31.267 29.762 -0.011 0.000 1.482 236 H HN 0.351 nan 8.280 nan 0.000 0.561 237 P HA -0.135 nan 4.420 nan 0.000 0.218 237 P C 0.775 178.168 177.300 0.156 0.000 1.148 237 P CA 1.371 64.499 63.100 0.047 0.000 0.822 237 P CB 0.353 32.024 31.700 -0.048 0.000 0.784 238 K N -0.615 120.003 120.400 0.364 0.000 2.486 238 K HA 0.098 4.417 4.320 -0.001 0.000 0.194 238 K C 1.830 178.462 176.600 0.053 0.000 1.033 238 K CA 0.533 56.922 56.287 0.169 0.000 1.004 238 K CB -0.068 32.510 32.500 0.130 0.000 0.798 238 K HN 0.066 nan 8.250 nan 0.000 0.495 239 S N 0.369 116.125 115.700 0.092 0.000 2.503 239 S HA 0.051 4.521 4.470 -0.001 0.000 0.217 239 S C 0.526 175.162 174.600 0.060 0.000 0.999 239 S CA -0.154 58.069 58.200 0.039 0.000 0.914 239 S CB 0.453 63.683 63.200 0.050 0.000 0.782 239 S HN -0.059 nan 8.310 nan 0.000 0.520 240 V N 3.960 123.921 119.914 0.079 0.000 2.479 240 V HA 0.142 4.262 4.120 -0.001 0.000 0.281 240 V C 1.177 177.279 176.094 0.013 0.000 1.031 240 V CA 0.184 62.539 62.300 0.091 0.000 1.038 240 V CB 0.619 32.526 31.823 0.140 0.000 0.981 240 V HN 0.318 nan 8.190 nan 0.000 0.478 241 R N 4.058 124.564 120.500 0.011 0.000 2.225 241 R HA 0.375 4.714 4.340 -0.001 0.000 0.194 241 R C -0.004 176.225 176.300 -0.118 0.000 0.957 241 R CA 0.489 56.491 56.100 -0.162 0.000 1.042 241 R CB 0.463 30.479 30.300 -0.474 0.000 1.004 241 R HN 0.543 nan 8.270 nan 0.000 0.509 242 I N 3.508 124.064 120.570 -0.025 0.000 2.439 242 I HA 0.250 4.420 4.170 -0.001 0.000 0.285 242 I C -2.452 173.497 176.117 -0.281 0.000 1.021 242 I CA -2.540 58.684 61.300 -0.126 0.000 1.091 242 I CB 2.579 40.555 38.000 -0.040 0.000 1.242 242 I HN -0.252 nan 8.210 nan 0.000 0.439 243 P HA 0.042 nan 4.420 nan 0.000 0.268 243 P C 0.962 177.461 177.300 -1.334 0.000 1.204 243 P CA 0.054 62.563 63.100 -0.984 0.000 0.768 243 P CB 0.964 32.024 31.700 -1.066 0.000 0.842 244 G N 2.745 110.369 108.800 -1.959 0.000 2.448 244 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.219 244 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.219 244 G C 1.007 175.567 174.900 -0.567 0.000 1.127 244 G CA 0.480 44.969 45.100 -1.017 0.000 0.766 244 G HN 0.624 nan 8.290 nan 0.000 0.552 245 Y N -0.129 119.928 120.300 -0.406 0.000 2.574 245 Y HA 0.250 4.799 4.550 -0.001 0.000 0.294 245 Y C 2.005 177.744 175.900 -0.270 0.000 1.142 245 Y CA -0.011 57.962 58.100 -0.213 0.000 1.314 245 Y CB -0.468 37.911 38.460 -0.134 0.000 0.991 245 Y HN 0.120 nan 8.280 nan 0.000 0.555 246 L N 0.151 121.090 121.223 -0.473 0.000 2.509 246 L HA 0.121 4.461 4.340 -0.001 0.000 0.222 246 L C 0.032 176.824 176.870 -0.129 0.000 1.123 246 L CA -0.134 54.470 54.840 -0.393 0.000 0.856 246 L CB 0.119 41.929 42.059 -0.416 0.000 0.985 246 L HN 0.043 nan 8.230 nan 0.000 0.456 247 V N -0.206 119.631 119.914 -0.129 0.000 2.435 247 V HA 0.172 4.292 4.120 -0.001 0.000 0.290 247 V C 0.175 176.257 176.094 -0.020 0.000 1.030 247 V CA -0.471 61.792 62.300 -0.063 0.000 0.881 247 V CB 1.947 33.712 31.823 -0.097 0.000 0.983 247 V HN 0.095 nan 8.190 nan 0.000 0.445 248 D N 3.028 123.424 120.400 -0.007 0.000 2.431 248 D HA 0.309 4.949 4.640 -0.001 0.000 0.227 248 D C 0.187 176.448 176.300 -0.066 0.000 1.030 248 D CA 0.888 54.874 54.000 -0.024 0.000 0.897 248 D CB 1.416 42.202 40.800 -0.024 0.000 1.058 248 D HN 0.391 nan 8.370 nan 0.000 0.500 249 I N 1.224 121.760 120.570 -0.057 0.000 2.607 249 I HA 0.218 4.388 4.170 -0.001 0.000 0.290 249 I C -0.940 175.153 176.117 -0.040 0.000 1.129 249 I CA -0.854 60.406 61.300 -0.067 0.000 1.042 249 I CB 3.253 41.197 38.000 -0.094 0.000 1.242 249 I HN -0.390 nan 8.210 nan 0.000 0.421 250 V N 6.361 126.252 119.914 -0.038 0.000 2.459 250 V HA 0.458 4.578 4.120 -0.001 0.000 0.295 250 V C -0.203 175.870 176.094 -0.035 0.000 1.029 250 V CA -0.691 61.587 62.300 -0.036 0.000 0.874 250 V CB 2.214 34.017 31.823 -0.032 0.000 0.985 250 V HN 0.404 nan 8.190 nan 0.000 0.438 251 V N 5.446 125.333 119.914 -0.046 0.000 2.384 251 V HA 0.409 4.528 4.120 -0.001 0.000 0.287 251 V C -0.167 175.899 176.094 -0.046 0.000 1.020 251 V CA -0.611 61.660 62.300 -0.047 0.000 0.850 251 V CB 1.937 33.717 31.823 -0.070 0.000 0.987 251 V HN 0.607 nan 8.190 nan 0.000 0.436 252 V N 3.868 123.762 119.914 -0.035 0.000 2.383 252 V HA 0.355 4.474 4.120 -0.001 0.000 0.275 252 V C -0.244 175.832 176.094 -0.031 0.000 1.036 252 V CA -0.274 62.006 62.300 -0.033 0.000 0.889 252 V CB 1.561 33.370 31.823 -0.023 0.000 0.985 252 V HN 0.931 nan 8.190 nan 0.000 0.459 253 D N 7.493 127.872 120.400 -0.034 0.000 2.464 253 D HA 0.369 5.008 4.640 -0.001 0.000 0.243 253 D C -1.351 174.936 176.300 -0.022 0.000 1.104 253 D CA -2.130 51.854 54.000 -0.027 0.000 0.883 253 D CB 2.080 42.862 40.800 -0.030 0.000 1.050 253 D HN 0.231 nan 8.370 nan 0.000 0.524 254 P HA -0.036 nan 4.420 nan 0.000 0.228 254 P C 0.013 177.308 177.300 -0.009 0.000 1.151 254 P CA 0.635 63.728 63.100 -0.013 0.000 0.770 254 P CB 0.542 32.236 31.700 -0.010 0.000 0.786 255 D N -0.724 119.672 120.400 -0.007 0.000 2.368 255 D HA 0.024 4.663 4.640 -0.001 0.000 0.218 255 D C 0.835 177.136 176.300 0.002 0.000 1.112 255 D CA -0.009 53.990 54.000 -0.001 0.000 0.834 255 D CB -0.140 40.660 40.800 0.000 0.000 0.953 255 D HN 0.298 nan 8.370 nan 0.000 0.505 256 Q N 1.188 120.985 119.800 -0.005 0.000 2.269 256 Q HA 0.016 4.356 4.340 -0.001 0.000 0.300 256 Q C -0.322 175.682 176.000 0.006 0.000 1.070 256 Q CA 0.460 56.261 55.803 -0.003 0.000 0.957 256 Q CB 0.528 29.253 28.738 -0.021 0.000 1.131 256 Q HN -0.091 nan 8.270 nan 0.000 0.377 257 S N 2.577 118.290 115.700 0.021 0.000 2.501 257 S HA 0.156 4.625 4.470 -0.001 0.000 0.301 257 S C 0.532 175.146 174.600 0.023 0.000 1.096 257 S CA -0.591 57.627 58.200 0.029 0.000 1.063 257 S CB 1.536 64.767 63.200 0.051 0.000 1.042 257 S HN 0.855 nan 8.310 nan 0.000 0.494 258 Q N 1.886 121.696 119.800 0.016 0.000 2.112 258 Q HA -0.044 4.296 4.340 -0.001 0.000 0.206 258 Q C -0.135 175.859 176.000 -0.010 0.000 0.987 258 Q CA 1.412 57.218 55.803 0.004 0.000 0.858 258 Q CB -0.070 28.675 28.738 0.012 0.000 0.905 258 Q HN 0.588 nan 8.270 nan 0.000 0.420 259 L N -1.636 119.590 121.223 0.004 0.000 2.303 259 L HA 0.346 4.685 4.340 -0.001 0.000 0.256 259 L C -0.806 176.112 176.870 0.081 0.000 1.034 259 L CA -1.465 53.361 54.840 -0.023 0.000 0.832 259 L CB 0.833 42.882 42.059 -0.016 0.000 1.403 259 L HN -0.058 nan 8.230 nan 0.000 0.419 260 Y N 0.859 121.168 120.300 0.015 0.000 2.805 260 Y HA 0.268 4.817 4.550 -0.001 0.000 0.337 260 Y C 1.327 177.234 175.900 0.013 0.000 1.252 260 Y CA 0.743 58.852 58.100 0.014 0.000 1.515 260 Y CB -0.035 38.435 38.460 0.016 0.000 1.305 260 Y HN 0.740 nan 8.280 nan 0.000 0.600 261 G N -0.039 108.864 108.800 0.171 0.000 2.229 261 G HA2 0.008 3.968 3.960 -0.001 0.000 0.189 261 G HA3 0.008 3.968 3.960 -0.001 0.000 0.189 261 G C 0.945 175.880 174.900 0.059 0.000 1.000 261 G CA 0.189 45.342 45.100 0.090 0.000 0.663 261 G HN 1.682 nan 8.290 nan 0.000 0.493 262 G N -0.112 108.727 108.800 0.065 0.000 2.168 262 G HA2 0.144 4.103 3.960 -0.001 0.000 0.263 262 G HA3 0.144 4.103 3.960 -0.001 0.000 0.263 262 G C 0.995 175.916 174.900 0.036 0.000 0.977 262 G CA 1.279 46.405 45.100 0.043 0.000 0.659 262 G HN 2.306 nan 8.290 nan 0.000 0.533 263 A N 0.548 123.392 122.820 0.041 0.000 2.483 263 A HA 0.592 4.912 4.320 -0.001 0.000 0.238 263 A C -0.728 176.875 177.584 0.031 0.000 1.070 263 A CA -0.041 52.017 52.037 0.035 0.000 0.770 263 A CB 0.113 19.136 19.000 0.038 0.000 1.008 263 A HN 0.291 nan 8.150 nan 0.000 0.497 264 P HA 0.177 nan 4.420 nan 0.000 0.273 264 P C 0.081 177.398 177.300 0.029 0.000 1.250 264 P CA -0.500 62.614 63.100 0.023 0.000 0.793 264 P CB 0.357 32.069 31.700 0.019 0.000 1.011 265 V N 1.993 121.922 119.914 0.024 0.000 2.644 265 V HA -0.018 4.102 4.120 -0.001 0.000 0.305 265 V C 0.218 176.336 176.094 0.039 0.000 1.053 265 V CA 0.279 62.595 62.300 0.027 0.000 1.186 265 V CB -0.559 31.276 31.823 0.019 0.000 0.895 265 V HN 0.537 nan 8.190 nan 0.000 0.490 266 N N 6.713 125.447 118.700 0.058 0.000 2.469 266 N HA 0.340 5.079 4.740 -0.001 0.000 0.253 266 N C 0.708 176.273 175.510 0.091 0.000 0.970 266 N CA -0.584 52.524 53.050 0.096 0.000 0.940 266 N CB 1.263 39.829 38.487 0.131 0.000 1.128 266 N HN 0.658 nan 8.380 nan 0.000 0.503 267 R N 2.806 123.329 120.500 0.038 0.000 2.236 267 R HA 0.026 4.366 4.340 -0.001 0.000 0.208 267 R C 0.961 177.284 176.300 0.038 0.000 1.036 267 R CA 0.493 56.617 56.100 0.040 0.000 1.001 267 R CB -0.286 30.090 30.300 0.127 0.000 0.896 267 R HN 0.531 nan 8.270 nan 0.000 0.464 268 F N 0.900 120.946 119.950 0.160 0.000 2.113 268 F HA -0.069 4.457 4.527 -0.001 0.000 0.297 268 F C 2.357 178.189 175.800 0.054 0.000 1.103 268 F CA 0.879 58.949 58.000 0.117 0.000 1.248 268 F CB -0.596 38.448 39.000 0.074 0.000 0.999 268 F HN -0.132 nan 8.300 nan 0.000 0.475 269 I N -0.703 120.003 120.570 0.226 0.000 2.286 269 I HA -0.298 3.871 4.170 -0.001 0.000 0.248 269 I C 2.293 178.443 176.117 0.056 0.000 1.115 269 I CA 1.273 62.639 61.300 0.110 0.000 1.392 269 I CB -0.631 37.418 38.000 0.082 0.000 1.065 269 I HN 0.055 nan 8.210 nan 0.000 0.418 270 S N 0.187 115.918 115.700 0.052 0.000 2.419 270 S HA -0.077 4.392 4.470 -0.001 0.000 0.233 270 S C 1.664 176.257 174.600 -0.011 0.000 1.016 270 S CA 1.218 59.426 58.200 0.015 0.000 0.974 270 S CB -0.143 63.063 63.200 0.010 0.000 0.786 270 S HN 0.758 nan 8.310 nan 0.000 0.492 271 G N 0.801 109.600 108.800 -0.001 0.000 2.163 271 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.213 271 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.213 271 G C 0.252 175.096 174.900 -0.093 0.000 0.991 271 G CA 0.287 45.371 45.100 -0.026 0.000 0.653 271 G HN 0.439 nan 8.290 nan 0.000 0.518 272 D N -0.567 119.734 120.400 -0.166 0.000 2.305 272 D HA 0.280 4.920 4.640 -0.001 0.000 0.206 272 D C 0.479 176.306 176.300 -0.788 0.000 0.974 272 D CA 0.758 54.480 54.000 -0.463 0.000 0.871 272 D CB 0.253 40.720 40.800 -0.555 0.000 0.947 272 D HN 0.395 nan 8.370 nan 0.000 0.516 273 F N -0.366 119.514 119.950 -0.116 0.000 2.599 273 F HA 0.307 4.834 4.527 -0.001 0.000 0.311 273 F C 0.222 176.101 175.800 0.132 0.000 1.076 273 F CA -0.944 56.995 58.000 -0.101 0.000 0.937 273 F CB 1.757 40.507 39.000 -0.416 0.000 1.282 273 F HN -0.518 nan 8.300 nan 0.000 0.460 274 T N 3.386 118.164 114.554 0.374 0.000 2.733 274 T HA 0.372 4.721 4.350 -0.001 0.000 0.294 274 T C -0.450 174.483 174.700 0.388 0.000 0.956 274 T CA -0.335 61.949 62.100 0.306 0.000 0.987 274 T CB 0.478 69.444 68.868 0.163 0.000 0.920 274 T HN 0.399 nan 8.240 nan 0.000 0.470 275 L N 4.205 125.591 121.223 0.271 0.000 2.455 275 L HA 0.242 4.582 4.340 -0.001 0.000 0.272 275 L C 0.649 177.495 176.870 -0.040 0.000 1.174 275 L CA 0.026 54.810 54.840 -0.094 0.000 0.869 275 L CB 0.405 42.224 42.059 -0.399 0.000 1.130 275 L HN 0.515 nan 8.230 nan 0.000 0.474 285 L N 3.802 125.012 121.223 -0.022 0.000 2.363 285 L HA 0.489 4.829 4.340 -0.001 0.000 0.286 285 L C -0.092 176.763 176.870 -0.024 0.000 1.106 285 L CA 0.357 55.178 54.840 -0.032 0.000 0.859 285 L CB -0.586 41.459 42.059 -0.024 0.000 1.223 285 L HN 0.501 nan 8.230 nan 0.000 0.446 286 N N 1.700 120.378 118.700 -0.036 0.000 3.038 286 N HA 0.255 4.994 4.740 -0.001 0.000 0.307 286 N C 0.277 175.761 175.510 -0.044 0.000 1.441 286 N CA -0.371 52.663 53.050 -0.026 0.000 0.772 286 N CB 0.231 38.707 38.487 -0.019 0.000 1.651 286 N HN 0.465 nan 8.380 nan 0.000 0.593 287 Q N -0.389 119.395 119.800 -0.026 0.000 2.234 287 Q HA -0.120 4.220 4.340 -0.001 0.000 0.206 287 Q C 1.034 177.000 176.000 -0.057 0.000 0.980 287 Q CA 1.268 57.052 55.803 -0.032 0.000 0.869 287 Q CB -0.230 28.506 28.738 -0.003 0.000 0.912 287 Q HN 0.533 nan 8.270 nan 0.000 0.436 288 R N 0.792 121.260 120.500 -0.054 0.000 2.073 288 R HA -0.013 4.327 4.340 -0.001 0.000 0.229 288 R C 2.308 178.553 176.300 -0.092 0.000 1.120 288 R CA 1.357 57.419 56.100 -0.065 0.000 0.967 288 R CB -0.176 30.094 30.300 -0.049 0.000 0.862 288 R HN 0.239 nan 8.270 nan 0.000 0.436 289 K N 0.964 121.307 120.400 -0.095 0.000 2.097 289 K HA -0.141 4.179 4.320 -0.001 0.000 0.205 289 K C 2.068 178.562 176.600 -0.178 0.000 1.050 289 K CA 0.902 57.117 56.287 -0.120 0.000 0.938 289 K CB -0.073 32.368 32.500 -0.098 0.000 0.718 289 K HN 0.002 nan 8.250 nan 0.000 0.442 290 L N 0.906 122.013 121.223 -0.193 0.000 2.012 290 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 290 L C 1.946 178.645 176.870 -0.284 0.000 1.073 290 L CA 1.599 56.263 54.840 -0.294 0.000 0.748 290 L CB -0.568 41.316 42.059 -0.292 0.000 0.891 290 L HN -0.010 nan 8.230 nan 0.000 0.431 291 V N 0.210 120.013 119.914 -0.184 0.000 2.295 291 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 291 V C 2.841 178.823 176.094 -0.187 0.000 1.049 291 V CA 1.634 63.848 62.300 -0.143 0.000 1.024 291 V CB -1.376 30.409 31.823 -0.064 0.000 0.648 291 V HN 0.639 nan 8.190 nan 0.000 0.447 292 A N -0.229 122.474 122.820 -0.196 0.000 1.940 292 A HA -0.245 4.075 4.320 -0.001 0.000 0.219 292 A C 2.372 179.774 177.584 -0.304 0.000 1.176 292 A CA 1.925 53.819 52.037 -0.238 0.000 0.631 292 A CB -0.494 18.391 19.000 -0.192 0.000 0.814 292 A HN 0.508 nan 8.150 nan 0.000 0.446 293 R N -1.272 119.030 120.500 -0.330 0.000 2.070 293 R HA -0.147 4.193 4.340 -0.001 0.000 0.233 293 R C 2.479 178.363 176.300 -0.694 0.000 1.137 293 R CA 1.693 57.526 56.100 -0.444 0.000 0.945 293 R CB -0.298 29.744 30.300 -0.429 0.000 0.845 293 R HN 0.423 nan 8.270 nan 0.000 0.430 294 R N 1.045 121.137 120.500 -0.680 0.000 2.120 294 R HA -0.056 4.284 4.340 -0.001 0.000 0.234 294 R C 1.863 177.923 176.300 -0.400 0.000 1.123 294 R CA 1.757 57.403 56.100 -0.757 0.000 0.975 294 R CB -0.633 29.405 30.300 -0.437 0.000 0.866 294 R HN 0.275 nan 8.270 nan 0.000 0.446 295 A N 0.351 123.013 122.820 -0.264 0.000 1.930 295 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 295 A C 1.997 179.533 177.584 -0.079 0.000 1.175 295 A CA 1.347 53.333 52.037 -0.085 0.000 0.627 295 A CB -0.633 18.245 19.000 -0.203 0.000 0.815 295 A HN 0.363 nan 8.150 nan 0.000 0.443 296 L N -1.345 119.714 121.223 -0.273 0.000 2.131 296 L HA -0.071 4.268 4.340 -0.001 0.000 0.210 296 L C 1.870 178.645 176.870 -0.160 0.000 1.092 296 L CA 1.631 56.306 54.840 -0.276 0.000 0.759 296 L CB -0.809 41.015 42.059 -0.392 0.000 0.903 296 L HN 0.337 nan 8.230 nan 0.000 0.435 297 F N 0.187 119.900 119.950 -0.394 0.000 2.333 297 F HA -0.122 4.404 4.527 -0.001 0.000 0.300 297 F C 2.361 178.172 175.800 0.018 0.000 1.083 297 F CA 0.788 58.678 58.000 -0.182 0.000 1.395 297 F CB -0.696 38.246 39.000 -0.096 0.000 1.056 297 F HN 0.254 nan 8.300 nan 0.000 0.529 298 E N -0.779 119.537 120.200 0.194 0.000 2.435 298 E HA -0.069 4.280 4.350 -0.001 0.000 0.195 298 E C 0.941 177.576 176.600 0.058 0.000 1.029 298 E CA 0.085 56.554 56.400 0.116 0.000 0.865 298 E CB -0.204 29.544 29.700 0.080 0.000 0.833 298 E HN 0.236 nan 8.360 nan 0.000 0.510 299 M N 1.655 121.292 119.600 0.062 0.000 2.255 299 M HA 0.143 4.622 4.480 -0.001 0.000 0.336 299 M C 0.013 176.310 176.300 -0.006 0.000 1.135 299 M CA -0.206 55.051 55.300 -0.071 0.000 1.145 299 M CB 0.626 33.017 32.600 -0.348 0.000 1.473 299 M HN -0.106 nan 8.290 nan 0.000 0.462 300 R N 1.841 122.319 120.500 -0.037 0.000 2.837 300 R HA 0.553 4.892 4.340 -0.001 0.000 0.271 300 R C -1.037 175.296 176.300 0.055 0.000 0.993 300 R CA -1.143 54.967 56.100 0.017 0.000 0.931 300 R CB 0.940 31.248 30.300 0.013 0.000 1.206 300 R HN 0.623 nan 8.270 nan 0.000 0.474 301 K N 0.495 120.937 120.400 0.069 0.000 2.447 301 K HA 0.105 4.424 4.320 -0.001 0.000 0.281 301 K C 0.472 177.135 176.600 0.105 0.000 1.031 301 K CA 1.686 58.037 56.287 0.106 0.000 1.019 301 K CB 0.290 32.828 32.500 0.063 0.000 0.918 301 K HN 0.902 nan 8.250 nan 0.000 0.476 302 G N 2.011 110.899 108.800 0.146 0.000 2.179 302 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.260 302 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.260 302 G C 0.149 175.129 174.900 0.133 0.000 0.977 302 G CA 0.189 45.361 45.100 0.120 0.000 0.641 302 G HN 0.898 nan 8.290 nan 0.000 0.533 303 A N -0.304 122.608 122.820 0.153 0.000 2.407 303 A HA 0.648 4.968 4.320 -0.001 0.000 0.248 303 A C 0.506 178.202 177.584 0.187 0.000 1.082 303 A CA 0.502 52.616 52.037 0.129 0.000 0.785 303 A CB 0.910 19.950 19.000 0.067 0.000 1.020 303 A HN 1.179 nan 8.150 nan 0.000 0.489 304 V N 2.048 122.057 119.914 0.159 0.000 2.370 304 V HA 0.651 4.771 4.120 -0.001 0.000 0.279 304 V C 0.860 177.046 176.094 0.153 0.000 1.029 304 V CA 0.337 62.756 62.300 0.199 0.000 0.870 304 V CB 0.928 32.914 31.823 0.272 0.000 0.984 304 V HN 1.211 nan 8.190 nan 0.000 0.451 305 G N 3.084 111.994 108.800 0.184 0.000 2.816 305 G HA2 0.564 4.524 3.960 -0.001 0.000 0.288 305 G HA3 0.564 4.524 3.960 -0.001 0.000 0.288 305 G C -1.283 173.688 174.900 0.119 0.000 1.334 305 G CA -0.656 44.515 45.100 0.118 0.000 0.978 305 G HN 0.609 nan 8.290 nan 0.000 0.493 306 N N -0.702 118.038 118.700 0.067 0.000 2.478 306 N HA 0.338 5.077 4.740 -0.001 0.000 0.291 306 N C -1.032 174.572 175.510 0.156 0.000 1.090 306 N CA -0.415 52.670 53.050 0.058 0.000 0.911 306 N CB 2.249 40.655 38.487 -0.134 0.000 1.546 306 N HN 0.639 nan 8.380 nan 0.000 0.500 307 V N 1.043 121.062 119.914 0.175 0.000 2.439 307 V HA 0.881 5.000 4.120 -0.001 0.000 0.282 307 V C 0.790 176.944 176.094 0.100 0.000 1.039 307 V CA -0.468 61.927 62.300 0.159 0.000 0.913 307 V CB 0.940 32.791 31.823 0.046 0.000 0.983 307 V HN 0.573 nan 8.190 nan 0.000 0.460 308 G N 3.361 112.224 108.800 0.105 0.000 2.412 308 G HA2 0.564 4.523 3.960 -0.001 0.000 0.318 308 G HA3 0.564 4.523 3.960 -0.001 0.000 0.318 308 G C -0.088 174.864 174.900 0.087 0.000 1.146 308 G CA -0.390 44.774 45.100 0.106 0.000 0.882 308 G HN 1.709 nan 8.290 nan 0.000 0.501 309 V N 0.338 120.305 119.914 0.087 0.000 2.720 309 V HA 0.568 4.687 4.120 -0.001 0.000 0.307 309 V C 1.053 177.190 176.094 0.072 0.000 1.071 309 V CA 0.508 62.849 62.300 0.067 0.000 1.199 309 V CB -0.082 31.780 31.823 0.065 0.000 0.900 309 V HN 2.108 nan 8.190 nan 0.000 0.494 310 G N 2.630 111.455 108.800 0.042 0.000 2.270 310 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.268 310 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.268 310 G C 0.043 174.941 174.900 -0.004 0.000 1.312 310 G CA -0.327 44.789 45.100 0.026 0.000 1.050 310 G HN 1.118 nan 8.290 nan 0.000 0.474 311 I N 1.050 121.605 120.570 -0.024 0.000 2.800 311 I HA 0.103 4.273 4.170 -0.001 0.000 0.266 311 I C 2.377 178.462 176.117 -0.054 0.000 1.249 311 I CA 2.418 63.692 61.300 -0.044 0.000 1.458 311 I CB -0.103 37.858 38.000 -0.065 0.000 1.093 311 I HN 0.763 nan 8.210 nan 0.000 0.466 312 A N 0.035 122.828 122.820 -0.046 0.000 2.252 312 A HA -0.021 4.298 4.320 -0.001 0.000 0.213 312 A C 1.570 179.086 177.584 -0.113 0.000 1.188 312 A CA 0.552 52.531 52.037 -0.096 0.000 0.863 312 A CB -0.323 18.635 19.000 -0.070 0.000 0.893 312 A HN 0.581 nan 8.150 nan 0.000 0.495 313 D N -0.182 120.184 120.400 -0.056 0.000 2.403 313 D HA -0.002 4.637 4.640 -0.001 0.000 0.227 313 D C 1.294 177.560 176.300 -0.056 0.000 0.995 313 D CA 1.071 55.046 54.000 -0.042 0.000 0.928 313 D CB -0.688 40.107 40.800 -0.008 0.000 0.887 313 D HN 0.240 nan 8.370 nan 0.000 0.529 314 G N -0.001 108.752 108.800 -0.078 0.000 2.880 314 G HA2 0.018 3.977 3.960 -0.001 0.000 0.209 314 G HA3 0.018 3.977 3.960 -0.001 0.000 0.209 314 G C 1.543 176.386 174.900 -0.094 0.000 1.157 314 G CA -0.068 44.986 45.100 -0.076 0.000 0.779 314 G HN 0.323 nan 8.290 nan 0.000 0.539 315 I N 1.558 122.043 120.570 -0.142 0.000 2.151 315 I HA -0.204 3.965 4.170 -0.001 0.000 0.243 315 I C 3.040 179.132 176.117 -0.041 0.000 1.080 315 I CA 1.344 62.542 61.300 -0.171 0.000 1.339 315 I CB -0.252 37.535 38.000 -0.355 0.000 1.039 315 I HN 0.240 nan 8.210 nan 0.000 0.409 316 G N 0.781 109.579 108.800 -0.004 0.000 2.440 316 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.218 316 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.218 316 G C 1.681 176.589 174.900 0.014 0.000 1.154 316 G CA 0.690 45.812 45.100 0.036 0.000 0.767 316 G HN 0.295 nan 8.290 nan 0.000 0.552 317 L N 0.098 121.314 121.223 -0.012 0.000 2.027 317 L HA -0.082 4.258 4.340 -0.001 0.000 0.206 317 L C 3.023 179.889 176.870 -0.006 0.000 1.074 317 L CA 0.523 55.354 54.840 -0.015 0.000 0.745 317 L CB -0.565 41.478 42.059 -0.027 0.000 0.898 317 L HN 0.095 nan 8.230 nan 0.000 0.433 318 V N 0.193 120.095 119.914 -0.020 0.000 2.343 318 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 318 V C 2.775 178.891 176.094 0.037 0.000 1.051 318 V CA 1.804 64.092 62.300 -0.020 0.000 1.036 318 V CB -0.946 30.829 31.823 -0.080 0.000 0.654 318 V HN 0.485 nan 8.190 nan 0.000 0.451 319 A N -0.006 122.863 122.820 0.082 0.000 1.902 319 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 319 A C 2.379 180.039 177.584 0.126 0.000 1.181 319 A CA 1.959 54.108 52.037 0.188 0.000 0.623 319 A CB -0.479 18.730 19.000 0.349 0.000 0.818 319 A HN 0.519 nan 8.150 nan 0.000 0.443 320 R N -0.754 119.782 120.500 0.060 0.000 2.073 320 R HA -0.132 4.208 4.340 -0.001 0.000 0.234 320 R C 2.339 178.661 176.300 0.037 0.000 1.134 320 R CA 1.436 57.554 56.100 0.029 0.000 0.952 320 R CB -0.362 29.938 30.300 -0.001 0.000 0.850 320 R HN 0.741 nan 8.270 nan 0.000 0.433 321 E N 0.637 120.858 120.200 0.035 0.000 2.130 321 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 321 E C 1.257 177.895 176.600 0.063 0.000 0.998 321 E CA 1.170 57.592 56.400 0.036 0.000 0.806 321 E CB 0.208 29.922 29.700 0.022 0.000 0.738 321 E HN 0.254 nan 8.360 nan 0.000 0.459 322 E N -0.991 119.269 120.200 0.100 0.000 2.481 322 E HA 0.012 4.361 4.350 -0.001 0.000 0.195 322 E C 1.043 177.726 176.600 0.137 0.000 1.047 322 E CA 0.728 57.219 56.400 0.151 0.000 0.867 322 E CB 0.653 30.507 29.700 0.256 0.000 0.858 322 E HN 0.445 nan 8.360 nan 0.000 0.513 323 G N 1.742 110.605 108.800 0.104 0.000 2.160 323 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.244 323 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.244 323 G C 0.827 175.783 174.900 0.092 0.000 1.022 323 G CA 0.425 45.571 45.100 0.076 0.000 0.741 323 G HN 0.411 nan 8.290 nan 0.000 0.508 324 C N -2.388 117.002 119.300 0.151 0.000 3.240 324 C HA 0.811 5.271 4.460 -0.001 0.000 0.271 324 C C 2.367 177.459 174.990 0.171 0.000 1.534 324 C CA 0.374 59.509 59.018 0.195 0.000 1.796 324 C CB -0.057 27.865 27.740 0.304 0.000 2.892 324 C HN 1.326 nan 8.230 nan 0.000 0.566 325 A N 1.252 124.088 122.820 0.026 0.000 2.067 325 A HA -0.053 4.267 4.320 -0.001 0.000 0.219 325 A C 1.628 178.996 177.584 -0.359 0.000 1.158 325 A CA 1.883 53.788 52.037 -0.220 0.000 0.661 325 A CB -0.382 18.541 19.000 -0.127 0.000 0.801 325 A HN 0.608 nan 8.150 nan 0.000 0.452 326 D N 0.048 120.348 120.400 -0.167 0.000 2.340 326 D HA 0.011 4.650 4.640 -0.001 0.000 0.220 326 D C 0.062 176.305 176.300 -0.095 0.000 1.039 326 D CA 0.348 54.264 54.000 -0.140 0.000 0.866 326 D CB 0.068 40.827 40.800 -0.068 0.000 0.913 326 D HN 0.383 nan 8.370 nan 0.000 0.523 327 D N -0.174 120.201 120.400 -0.042 0.000 2.369 327 D HA 0.102 4.742 4.640 -0.001 0.000 0.211 327 D C 0.513 176.954 176.300 0.235 0.000 1.077 327 D CA -0.007 54.053 54.000 0.100 0.000 0.842 327 D CB 0.448 41.342 40.800 0.155 0.000 0.947 327 D HN 0.280 nan 8.370 nan 0.000 0.509 328 F N -1.054 118.926 119.950 0.051 0.000 2.789 328 F HA 0.623 5.149 4.527 -0.001 0.000 0.319 328 F C -1.613 174.217 175.800 0.050 0.000 1.168 328 F CA -1.696 56.339 58.000 0.058 0.000 0.934 328 F CB 1.181 40.230 39.000 0.082 0.000 1.375 328 F HN -0.305 nan 8.300 nan 0.000 0.480 329 I N 2.091 122.770 120.570 0.182 0.000 2.533 329 I HA 0.568 4.738 4.170 -0.001 0.000 0.290 329 I C -1.695 174.534 176.117 0.186 0.000 1.056 329 I CA -0.967 60.367 61.300 0.056 0.000 1.057 329 I CB 1.875 39.898 38.000 0.038 0.000 1.240 329 I HN 0.648 nan 8.210 nan 0.000 0.423 330 L N 6.754 128.044 121.223 0.113 0.000 2.307 330 L HA 0.594 4.933 4.340 -0.001 0.000 0.284 330 L C -0.017 176.911 176.870 0.097 0.000 1.023 330 L CA -0.633 54.303 54.840 0.160 0.000 0.810 330 L CB 1.763 43.922 42.059 0.166 0.000 1.231 330 L HN 0.660 nan 8.230 nan 0.000 0.423 331 T N 0.073 114.705 114.554 0.130 0.000 2.925 331 T HA 0.694 5.043 4.350 -0.001 0.000 0.285 331 T C -0.310 174.470 174.700 0.132 0.000 1.021 331 T CA -0.737 61.436 62.100 0.122 0.000 1.042 331 T CB 2.044 71.034 68.868 0.203 0.000 1.037 331 T HN 0.177 nan 8.240 nan 0.000 0.481 332 V N 3.355 123.316 119.914 0.078 0.000 2.483 332 V HA 0.304 4.424 4.120 -0.001 0.000 0.295 332 V C 1.748 177.867 176.094 0.042 0.000 1.035 332 V CA -0.732 61.607 62.300 0.065 0.000 0.896 332 V CB 1.238 33.070 31.823 0.016 0.000 0.986 332 V HN 1.136 nan 8.190 nan 0.000 0.447 333 E N 2.458 122.706 120.200 0.080 0.000 2.160 333 E HA -0.258 4.092 4.350 -0.001 0.000 0.195 333 E C 1.406 177.846 176.600 -0.266 0.000 0.991 333 E CA 1.927 58.279 56.400 -0.080 0.000 0.810 333 E CB -0.176 29.587 29.700 0.104 0.000 0.742 333 E HN 0.842 nan 8.360 nan 0.000 0.466 334 T N -3.754 110.763 114.554 -0.062 0.000 3.113 334 T HA 0.394 4.744 4.350 -0.001 0.000 0.256 334 T C 1.387 176.046 174.700 -0.068 0.000 1.131 334 T CA 0.426 62.519 62.100 -0.012 0.000 1.074 334 T CB 0.785 69.669 68.868 0.027 0.000 0.944 334 T HN 0.464 nan 8.240 nan 0.000 0.516 335 G N 1.061 109.787 108.800 -0.124 0.000 3.288 335 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.195 335 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.195 335 G C -2.678 172.147 174.900 -0.125 0.000 1.093 335 G CA -0.683 44.339 45.100 -0.130 0.000 0.852 335 G HN 0.472 nan 8.290 nan 0.000 0.453 336 P HA 0.516 nan 4.420 nan 0.000 0.269 336 P C -0.323 176.935 177.300 -0.070 0.000 1.209 336 P CA 0.465 63.507 63.100 -0.097 0.000 0.776 336 P CB 0.860 32.512 31.700 -0.080 0.000 0.876 337 I N 1.949 122.477 120.570 -0.070 0.000 2.478 337 I HA 0.540 4.710 4.170 -0.001 0.000 0.287 337 I C 0.681 176.769 176.117 -0.049 0.000 1.042 337 I CA -0.195 61.070 61.300 -0.057 0.000 1.067 337 I CB 1.477 39.425 38.000 -0.087 0.000 1.233 337 I HN 0.611 nan 8.210 nan 0.000 0.431 338 G N 4.015 112.794 108.800 -0.035 0.000 2.741 338 G HA2 0.330 4.290 3.960 -0.001 0.000 0.222 338 G HA3 0.330 4.290 3.960 -0.001 0.000 0.222 338 G C -0.030 174.844 174.900 -0.044 0.000 1.364 338 G CA -0.178 44.893 45.100 -0.047 0.000 0.866 338 G HN 1.690 nan 8.290 nan 0.000 0.555 339 G N -1.982 106.787 108.800 -0.051 0.000 2.603 339 G HA2 0.533 4.493 3.960 -0.001 0.000 0.686 339 G HA3 0.533 4.493 3.960 -0.001 0.000 0.686 339 G C -0.270 174.603 174.900 -0.045 0.000 1.286 339 G CA 0.194 45.270 45.100 -0.040 0.000 0.871 339 G HN 2.491 nan 8.290 nan 0.000 0.568 340 I N -2.959 117.589 120.570 -0.038 0.000 2.934 340 I HA 0.856 5.025 4.170 -0.001 0.000 0.306 340 I C 0.389 176.484 176.117 -0.037 0.000 1.110 340 I CA -1.061 60.214 61.300 -0.042 0.000 1.019 340 I CB 1.986 39.957 38.000 -0.049 0.000 1.227 340 I HN 0.625 nan 8.210 nan 0.000 0.434 350 N N -0.617 118.078 118.700 -0.009 0.000 2.503 350 N HA 0.532 5.271 4.740 -0.001 0.000 0.267 350 N C 0.062 175.573 175.510 0.003 0.000 1.214 350 N CA 0.117 53.161 53.050 -0.010 0.000 0.959 350 N CB 1.409 39.886 38.487 -0.017 0.000 1.142 350 N HN 0.873 nan 8.380 nan 0.000 0.455 351 V N -0.844 119.073 119.914 0.004 0.000 3.158 351 V HA 0.501 4.621 4.120 -0.001 0.000 0.315 351 V C 0.033 176.140 176.094 0.022 0.000 1.148 351 V CA -0.984 61.338 62.300 0.037 0.000 1.042 351 V CB 1.689 33.542 31.823 0.051 0.000 1.101 351 V HN 0.768 nan 8.190 nan 0.000 0.448 352 N N 0.311 119.043 118.700 0.053 0.000 2.721 352 N HA -0.159 4.581 4.740 -0.001 0.000 0.249 352 N C 0.380 175.888 175.510 -0.003 0.000 1.072 352 N CA 1.366 54.434 53.050 0.031 0.000 0.710 352 N CB -2.058 36.438 38.487 0.015 0.000 0.993 352 N HN 1.398 nan 8.380 nan 0.000 0.547 353 T N -2.887 111.661 114.554 -0.009 0.000 2.855 353 T HA 0.234 4.584 4.350 -0.001 0.000 0.314 353 T C 1.449 176.128 174.700 -0.035 0.000 1.077 353 T CA -0.209 61.872 62.100 -0.031 0.000 1.095 353 T CB 1.454 70.295 68.868 -0.045 0.000 0.987 353 T HN 0.055 nan 8.240 nan 0.000 0.546 354 R N 0.912 121.385 120.500 -0.044 0.000 2.189 354 R HA 0.511 4.850 4.340 -0.001 0.000 0.203 354 R C 0.716 176.986 176.300 -0.050 0.000 1.012 354 R CA 0.673 56.746 56.100 -0.045 0.000 1.015 354 R CB -0.498 29.772 30.300 -0.049 0.000 0.938 354 R HN 0.905 nan 8.270 nan 0.000 0.472 355 A N 0.463 123.248 122.820 -0.058 0.000 2.597 355 A HA 0.641 4.960 4.320 -0.001 0.000 0.292 355 A C -1.516 176.024 177.584 -0.073 0.000 1.057 355 A CA -0.673 51.329 52.037 -0.059 0.000 0.674 355 A CB 1.092 20.051 19.000 -0.069 0.000 1.278 355 A HN 0.064 nan 8.150 nan 0.000 0.416 356 I N 1.818 122.353 120.570 -0.059 0.000 2.468 356 I HA 0.366 4.536 4.170 -0.001 0.000 0.285 356 I C -0.617 175.516 176.117 0.028 0.000 1.039 356 I CA -0.254 60.988 61.300 -0.097 0.000 1.074 356 I CB 1.554 39.384 38.000 -0.283 0.000 1.228 356 I HN 0.526 nan 8.210 nan 0.000 0.436 357 L N 4.534 125.745 121.223 -0.020 0.000 2.387 357 L HA 0.412 4.752 4.340 -0.001 0.000 0.266 357 L C 0.255 177.174 176.870 0.081 0.000 1.059 357 L CA -0.869 53.977 54.840 0.011 0.000 0.801 357 L CB 0.976 42.975 42.059 -0.100 0.000 1.223 357 L HN 0.628 nan 8.230 nan 0.000 0.456 358 D N 0.755 121.193 120.400 0.064 0.000 2.362 358 D HA -0.040 4.599 4.640 -0.001 0.000 0.242 358 D C 0.808 177.102 176.300 -0.011 0.000 1.132 358 D CA -0.392 53.636 54.000 0.047 0.000 0.907 358 D CB 1.578 42.360 40.800 -0.030 0.000 1.195 358 D HN 0.610 nan 8.370 nan 0.000 0.429 359 M N 1.507 121.118 119.600 0.019 0.000 2.117 359 M HA -0.203 4.277 4.480 -0.001 0.000 0.262 359 M C 1.644 178.000 176.300 0.093 0.000 1.065 359 M CA 1.801 57.125 55.300 0.040 0.000 1.114 359 M CB -0.209 32.474 32.600 0.138 0.000 1.361 359 M HN 0.523 nan 8.290 nan 0.000 0.408 360 T N 0.187 114.793 114.554 0.087 0.000 2.684 360 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 360 T C 1.819 176.529 174.700 0.017 0.000 1.036 360 T CA 1.923 64.072 62.100 0.081 0.000 1.148 360 T CB -0.522 68.363 68.868 0.030 0.000 0.863 360 T HN 0.470 nan 8.240 nan 0.000 0.436 361 S N 1.262 116.942 115.700 -0.033 0.000 2.383 361 S HA -0.177 4.293 4.470 -0.001 0.000 0.229 361 S C 2.180 176.704 174.600 -0.126 0.000 1.030 361 S CA 1.270 59.433 58.200 -0.062 0.000 1.002 361 S CB -0.402 62.757 63.200 -0.068 0.000 0.829 361 S HN 0.418 nan 8.310 nan 0.000 0.467 362 Q N 0.553 120.214 119.800 -0.232 0.000 2.084 362 Q HA -0.048 4.292 4.340 -0.001 0.000 0.202 362 Q C 1.602 177.174 176.000 -0.714 0.000 0.978 362 Q CA 1.644 57.148 55.803 -0.499 0.000 0.844 362 Q CB -0.430 27.937 28.738 -0.619 0.000 0.898 362 Q HN 0.528 nan 8.270 nan 0.000 0.426 363 F N 0.649 120.354 119.950 -0.409 0.000 2.186 363 F HA -0.145 4.382 4.527 -0.001 0.000 0.299 363 F C 1.887 177.412 175.800 -0.458 0.000 1.090 363 F CA 1.285 59.026 58.000 -0.432 0.000 1.307 363 F CB -0.329 38.455 39.000 -0.360 0.000 1.019 363 F HN 0.150 nan 8.300 nan 0.000 0.489 364 D N -0.201 120.126 120.400 -0.122 0.000 2.116 364 D HA -0.249 4.391 4.640 -0.001 0.000 0.193 364 D C 2.123 178.459 176.300 0.060 0.000 0.998 364 D CA 1.327 55.304 54.000 -0.039 0.000 0.836 364 D CB -0.795 40.011 40.800 0.010 0.000 0.951 364 D HN 0.257 nan 8.370 nan 0.000 0.449 365 F N 1.006 120.896 119.950 -0.099 0.000 2.095 365 F HA -0.281 4.245 4.527 -0.001 0.000 0.298 365 F C 2.176 178.060 175.800 0.140 0.000 1.104 365 F CA 1.309 59.297 58.000 -0.021 0.000 1.232 365 F CB -0.419 38.522 39.000 -0.099 0.000 0.987 365 F HN -0.093 nan 8.300 nan 0.000 0.475 366 Y N 0.385 120.645 120.300 -0.066 0.000 2.145 366 Y HA -0.216 4.333 4.550 -0.001 0.000 0.286 366 Y C 2.837 178.755 175.900 0.029 0.000 1.145 366 Y CA 1.595 59.637 58.100 -0.098 0.000 1.148 366 Y CB -1.715 36.776 38.460 0.053 0.000 0.981 366 Y HN 0.333 nan 8.280 nan 0.000 0.507 367 H N -1.639 117.541 119.070 0.183 0.000 2.387 367 H HA -0.104 4.452 4.556 -0.001 0.000 0.299 367 H C 2.101 177.451 175.328 0.036 0.000 1.099 367 H CA 0.523 56.638 56.048 0.112 0.000 1.315 367 H CB -0.229 29.600 29.762 0.112 0.000 1.380 367 H HN 0.348 nan 8.280 nan 0.000 0.513 368 G N -0.645 108.226 108.800 0.118 0.000 3.026 368 G HA2 0.201 4.161 3.960 -0.001 0.000 0.208 368 G HA3 0.201 4.161 3.960 -0.001 0.000 0.208 368 G C 1.023 175.891 174.900 -0.053 0.000 1.169 368 G CA 0.386 45.503 45.100 0.028 0.000 0.788 368 G HN 0.579 nan 8.290 nan 0.000 0.533 369 G N -0.971 107.777 108.800 -0.087 0.000 2.149 369 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.235 369 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.235 369 G C 1.224 175.970 174.900 -0.256 0.000 1.018 369 G CA 0.375 45.397 45.100 -0.130 0.000 0.728 369 G HN 0.951 nan 8.290 nan 0.000 0.508 370 G N -0.362 108.117 108.800 -0.534 0.000 2.448 370 G HA2 0.158 4.118 3.960 -0.001 0.000 0.219 370 G HA3 0.158 4.118 3.960 -0.001 0.000 0.219 370 G C 0.950 175.536 174.900 -0.523 0.000 1.127 370 G CA 0.640 45.130 45.100 -1.016 0.000 0.766 370 G HN 0.669 nan 8.290 nan 0.000 0.552 371 L N 1.435 122.449 121.223 -0.348 0.000 2.360 371 L HA 0.189 4.528 4.340 -0.001 0.000 0.276 371 L C 0.659 177.448 176.870 -0.134 0.000 1.121 371 L CA -0.681 54.062 54.840 -0.161 0.000 0.845 371 L CB 1.180 43.085 42.059 -0.257 0.000 1.143 371 L HN 0.048 nan 8.230 nan 0.000 0.452 372 D N 2.052 122.410 120.400 -0.069 0.000 2.149 372 D HA 0.006 4.646 4.640 -0.001 0.000 0.201 372 D C 0.215 176.428 176.300 -0.144 0.000 0.972 372 D CA 1.242 55.197 54.000 -0.076 0.000 0.835 372 D CB 0.557 41.344 40.800 -0.021 0.000 0.966 372 D HN 0.213 nan 8.370 nan 0.000 0.476 373 V N 0.698 120.496 119.914 -0.193 0.000 2.851 373 V HA 0.324 4.444 4.120 -0.001 0.000 0.307 373 V C -0.183 175.647 176.094 -0.440 0.000 1.129 373 V CA -1.174 60.916 62.300 -0.351 0.000 0.932 373 V CB 2.292 33.882 31.823 -0.390 0.000 1.024 373 V HN 0.320 nan 8.190 nan 0.000 0.426 374 C N 2.316 121.266 119.300 -0.583 0.000 2.802 374 C HA 0.916 5.376 4.460 -0.001 0.000 0.307 374 C C -1.391 173.178 174.990 -0.702 0.000 1.222 374 C CA -0.916 57.776 59.018 -0.544 0.000 1.580 374 C CB 1.320 28.806 27.740 -0.424 0.000 2.119 374 C HN 0.773 nan 8.230 nan 0.000 0.479 375 Y N 1.505 121.675 120.300 -0.216 0.000 2.326 375 Y HA 0.770 5.319 4.550 -0.001 0.000 0.331 375 Y C -0.066 175.750 175.900 -0.141 0.000 0.962 375 Y CA -0.704 57.288 58.100 -0.181 0.000 1.167 375 Y CB 1.320 39.718 38.460 -0.103 0.000 1.148 375 Y HN 0.630 nan 8.280 nan 0.000 0.463 376 L N 2.033 123.240 121.223 -0.026 0.000 2.401 376 L HA 0.574 4.914 4.340 -0.001 0.000 0.266 376 L C -0.066 176.994 176.870 0.316 0.000 0.991 376 L CA -0.841 54.066 54.840 0.112 0.000 0.818 376 L CB 2.334 44.368 42.059 -0.041 0.000 1.321 376 L HN 0.504 nan 8.230 nan 0.000 0.413 377 S N 1.322 117.216 115.700 0.323 0.000 2.600 377 S HA 0.573 5.043 4.470 -0.001 0.000 0.265 377 S C -0.671 174.168 174.600 0.398 0.000 1.325 377 S CA -0.277 58.064 58.200 0.235 0.000 1.002 377 S CB 0.579 63.834 63.200 0.093 0.000 0.921 377 S HN 0.381 nan 8.310 nan 0.000 0.554 378 F N -1.373 118.670 119.950 0.154 0.000 2.565 378 F HA 0.827 5.353 4.527 -0.001 0.000 0.313 378 F C 0.264 175.951 175.800 -0.189 0.000 1.091 378 F CA -1.262 56.740 58.000 0.002 0.000 0.915 378 F CB 0.994 39.967 39.000 -0.045 0.000 1.208 378 F HN 0.514 nan 8.300 nan 0.000 0.453 379 A N 1.482 124.200 122.820 -0.171 0.000 1.924 379 A HA 0.355 4.675 4.320 -0.001 0.000 0.211 379 A C 0.185 177.667 177.584 -0.170 0.000 1.198 379 A CA 0.576 52.319 52.037 -0.490 0.000 0.657 379 A CB -0.225 18.077 19.000 -1.164 0.000 0.852 379 A HN 0.827 nan 8.150 nan 0.000 0.454 380 E N -1.195 118.952 120.200 -0.088 0.000 2.383 380 E HA 0.573 4.922 4.350 -0.001 0.000 0.275 380 E C -1.904 174.508 176.600 -0.313 0.000 0.918 380 E CA -0.773 55.537 56.400 -0.150 0.000 0.764 380 E CB 2.614 32.235 29.700 -0.131 0.000 1.252 380 E HN -0.002 nan 8.360 nan 0.000 0.449 381 V N 1.838 121.408 119.914 -0.573 0.000 2.638 381 V HA 0.277 4.396 4.120 -0.001 0.000 0.306 381 V C -0.671 175.171 176.094 -0.420 0.000 1.052 381 V CA -0.874 61.010 62.300 -0.695 0.000 0.885 381 V CB 1.786 32.786 31.823 -1.372 0.000 0.999 381 V HN 0.801 nan 8.190 nan 0.000 0.424 382 D N 2.407 122.599 120.400 -0.348 0.000 2.487 382 D HA 0.222 4.862 4.640 -0.001 0.000 0.262 382 D C 1.096 176.839 176.300 -0.927 0.000 1.130 382 D CA -0.608 53.149 54.000 -0.404 0.000 1.038 382 D CB 0.880 41.550 40.800 -0.217 0.000 1.142 382 D HN 0.568 nan 8.370 nan 0.000 0.575 383 Q N -0.771 118.207 119.800 -1.370 0.000 2.297 383 Q HA -0.225 4.115 4.340 -0.001 0.000 0.208 383 Q C 0.636 176.044 176.000 -0.987 0.000 0.981 383 Q CA 1.319 56.036 55.803 -1.809 0.000 0.876 383 Q CB -0.469 27.541 28.738 -1.214 0.000 0.921 383 Q HN 0.529 nan 8.270 nan 0.000 0.446 384 H N -0.446 118.358 119.070 -0.444 0.000 2.539 384 H HA 0.198 4.753 4.556 -0.001 0.000 0.267 384 H C 1.311 176.550 175.328 -0.149 0.000 0.982 384 H CA 0.773 56.683 56.048 -0.230 0.000 1.146 384 H CB 0.873 30.537 29.762 -0.163 0.000 1.382 384 H HN 0.587 nan 8.280 nan 0.000 0.577 385 G N 1.272 109.981 108.800 -0.152 0.000 2.179 385 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.260 385 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.260 385 G C 0.146 175.154 174.900 0.179 0.000 0.977 385 G CA -0.068 45.039 45.100 0.012 0.000 0.641 385 G HN 0.306 nan 8.290 nan 0.000 0.533 386 N N 0.008 118.744 118.700 0.061 0.000 2.441 386 N HA 0.388 5.127 4.740 -0.001 0.000 0.251 386 N C 0.162 175.709 175.510 0.061 0.000 1.242 386 N CA 0.441 53.559 53.050 0.113 0.000 0.898 386 N CB 1.546 40.060 38.487 0.044 0.000 1.100 386 N HN 0.229 nan 8.380 nan 0.000 0.443 387 V N -0.027 119.999 119.914 0.186 0.000 2.604 387 V HA 0.699 4.818 4.120 -0.001 0.000 0.305 387 V C 0.615 176.746 176.094 0.062 0.000 1.043 387 V CA -0.943 61.343 62.300 -0.023 0.000 0.888 387 V CB 1.927 33.558 31.823 -0.319 0.000 0.995 387 V HN 0.740 nan 8.190 nan 0.000 0.429 388 G N 1.387 110.153 108.800 -0.056 0.000 2.461 388 G HA2 0.597 4.556 3.960 -0.001 0.000 0.323 388 G HA3 0.597 4.556 3.960 -0.001 0.000 0.323 388 G C 0.137 174.935 174.900 -0.171 0.000 1.229 388 G CA 0.070 45.117 45.100 -0.089 0.000 0.941 388 G HN 1.121 nan 8.290 nan 0.000 0.477 389 V N -0.881 118.904 119.914 -0.216 0.000 3.264 389 V HA 0.196 4.316 4.120 -0.001 0.000 0.262 389 V C 1.516 177.627 176.094 0.028 0.000 1.616 389 V CA 0.975 63.189 62.300 -0.142 0.000 1.033 389 V CB -0.503 31.115 31.823 -0.342 0.000 0.865 389 V HN 0.841 nan 8.190 nan 0.000 0.420 390 H N 1.850 120.835 119.070 -0.142 0.000 2.470 390 H HA 0.285 4.840 4.556 -0.001 0.000 0.289 390 H C 0.280 175.463 175.328 -0.241 0.000 1.033 390 H CA 0.694 56.620 56.048 -0.203 0.000 1.331 390 H CB 0.386 29.911 29.762 -0.394 0.000 1.414 390 H HN 0.460 nan 8.280 nan 0.000 0.545 391 K N 0.395 120.378 120.400 -0.695 0.000 2.513 391 K HA 0.429 4.749 4.320 -0.001 0.000 0.251 391 K C -1.635 174.856 176.600 -0.181 0.000 0.939 391 K CA -0.708 55.289 56.287 -0.485 0.000 0.793 391 K CB 2.672 34.834 32.500 -0.563 0.000 1.241 391 K HN 0.182 nan 8.250 nan 0.000 0.431 392 F N -0.699 119.106 119.950 -0.242 0.000 2.744 392 F HA 0.376 4.903 4.527 -0.001 0.000 0.311 392 F C -0.069 175.662 175.800 -0.115 0.000 1.144 392 F CA -1.180 56.720 58.000 -0.167 0.000 0.938 392 F CB 0.844 39.762 39.000 -0.137 0.000 1.292 392 F HN 0.542 nan 8.300 nan 0.000 0.444 393 N N 0.894 119.639 118.700 0.075 0.000 2.714 393 N HA -0.118 4.621 4.740 -0.001 0.000 0.250 393 N C 0.954 176.401 175.510 -0.105 0.000 1.117 393 N CA 2.169 55.221 53.050 0.003 0.000 0.719 393 N CB -1.176 37.342 38.487 0.052 0.000 1.081 393 N HN 2.142 nan 8.380 nan 0.000 0.557 394 G N -1.945 106.782 108.800 -0.122 0.000 2.168 394 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.263 394 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.263 394 G C -0.135 174.651 174.900 -0.190 0.000 0.977 394 G CA 1.023 46.042 45.100 -0.135 0.000 0.659 394 G HN 0.495 nan 8.290 nan 0.000 0.533 395 K N -0.095 120.132 120.400 -0.289 0.000 2.203 395 K HA 0.693 5.012 4.320 -0.001 0.000 0.251 395 K C 0.217 176.594 176.600 -0.371 0.000 0.944 395 K CA -1.149 54.945 56.287 -0.322 0.000 0.829 395 K CB 1.759 34.030 32.500 -0.382 0.000 1.125 395 K HN 0.198 nan 8.250 nan 0.000 0.430 396 I N 2.822 123.221 120.570 -0.285 0.000 2.304 396 I HA 0.134 4.304 4.170 -0.001 0.000 0.291 396 I C 1.081 177.071 176.117 -0.210 0.000 1.018 396 I CA -0.291 60.840 61.300 -0.281 0.000 1.260 396 I CB 1.106 38.923 38.000 -0.305 0.000 1.390 396 I HN 0.534 nan 8.210 nan 0.000 0.475 397 M N 5.017 124.485 119.600 -0.220 0.000 2.653 397 M HA 0.400 4.880 4.480 -0.001 0.000 0.259 397 M C 0.722 176.908 176.300 -0.190 0.000 1.244 397 M CA 0.702 55.905 55.300 -0.163 0.000 1.163 397 M CB 0.379 32.928 32.600 -0.086 0.000 1.309 397 M HN 0.687 nan 8.290 nan 0.000 0.509 398 G N -0.510 108.256 108.800 -0.056 0.000 2.828 398 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.463 398 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.463 398 G C 0.306 175.309 174.900 0.171 0.000 1.394 398 G CA 0.271 45.434 45.100 0.104 0.000 0.862 398 G HN 0.664 nan 8.290 nan 0.000 0.540 399 T N -1.818 112.937 114.554 0.334 0.000 3.010 399 T HA 0.463 4.812 4.350 -0.001 0.000 0.252 399 T C 2.667 177.671 174.700 0.508 0.000 1.047 399 T CA 1.682 64.026 62.100 0.408 0.000 1.140 399 T CB -0.338 68.805 68.868 0.459 0.000 0.885 399 T HN 2.825 nan 8.240 nan 0.000 0.464 400 G N 1.193 110.320 108.800 0.544 0.000 2.596 400 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.295 400 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.295 400 G C 0.887 176.033 174.900 0.411 0.000 1.240 400 G CA 0.128 45.520 45.100 0.488 0.000 0.985 400 G HN 1.179 nan 8.290 nan 0.000 0.555 401 G N -0.542 108.528 108.800 0.451 0.000 3.181 401 G HA2 0.388 4.348 3.960 -0.001 0.000 0.219 401 G HA3 0.388 4.348 3.960 -0.001 0.000 0.219 401 G C 1.221 176.410 174.900 0.482 0.000 1.182 401 G CA 1.013 46.428 45.100 0.524 0.000 0.791 401 G HN 0.704 nan 8.290 nan 0.000 0.537 402 F N 1.286 121.429 119.950 0.322 0.000 2.065 402 F HA -0.167 4.359 4.527 -0.001 0.000 0.298 402 F C 2.344 178.316 175.800 0.287 0.000 1.112 402 F CA 1.621 59.796 58.000 0.292 0.000 1.212 402 F CB 0.082 39.275 39.000 0.322 0.000 0.975 402 F HN 0.140 nan 8.300 nan 0.000 0.476 403 I N 0.236 121.141 120.570 0.559 0.000 2.252 403 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 403 I C 1.903 178.163 176.117 0.239 0.000 1.102 403 I CA 1.513 63.046 61.300 0.389 0.000 1.385 403 I CB -0.815 37.394 38.000 0.347 0.000 1.064 403 I HN 0.196 nan 8.210 nan 0.000 0.414 404 D N 1.049 121.627 120.400 0.298 0.000 2.221 404 D HA -0.154 4.486 4.640 -0.001 0.000 0.204 404 D C 2.161 178.671 176.300 0.349 0.000 0.982 404 D CA 1.482 55.730 54.000 0.414 0.000 0.857 404 D CB 0.139 41.331 40.800 0.654 0.000 0.934 404 D HN 0.434 nan 8.370 nan 0.000 0.475 405 I N 0.578 121.252 120.570 0.174 0.000 2.810 405 I HA -0.145 4.025 4.170 -0.001 0.000 0.262 405 I C 2.278 178.300 176.117 -0.158 0.000 1.131 405 I CA 0.437 61.699 61.300 -0.065 0.000 1.453 405 I CB 0.185 38.095 38.000 -0.150 0.000 1.161 405 I HN -0.098 nan 8.210 nan 0.000 0.444 406 S N 0.841 116.435 115.700 -0.176 0.000 2.558 406 S HA 0.189 4.658 4.470 -0.001 0.000 0.217 406 S C 1.889 176.571 174.600 0.136 0.000 0.975 406 S CA 0.390 58.497 58.200 -0.154 0.000 0.912 406 S CB 0.058 63.063 63.200 -0.325 0.000 0.776 406 S HN 0.297 nan 8.310 nan 0.000 0.526 407 A N 2.217 125.103 122.820 0.109 0.000 1.898 407 A HA 0.101 4.421 4.320 -0.001 0.000 0.214 407 A C 2.275 179.896 177.584 0.061 0.000 1.183 407 A CA 1.588 53.689 52.037 0.107 0.000 0.622 407 A CB -0.722 18.316 19.000 0.064 0.000 0.824 407 A HN 0.757 nan 8.150 nan 0.000 0.444 408 T N -4.518 110.052 114.554 0.027 0.000 3.130 408 T HA 0.268 4.617 4.350 -0.001 0.000 0.288 408 T C 0.388 175.060 174.700 -0.045 0.000 0.936 408 T CA 0.394 62.495 62.100 0.001 0.000 0.897 408 T CB -0.209 68.666 68.868 0.011 0.000 1.178 408 T HN 0.080 nan 8.240 nan 0.000 0.543 409 S N 2.288 117.935 115.700 -0.088 0.000 2.560 409 S HA 0.248 4.718 4.470 -0.001 0.000 0.284 409 S C 1.160 175.683 174.600 -0.128 0.000 1.327 409 S CA -0.495 57.614 58.200 -0.151 0.000 1.055 409 S CB 1.217 64.276 63.200 -0.235 0.000 0.868 409 S HN 0.311 nan 8.310 nan 0.000 0.506 410 K N 1.758 122.082 120.400 -0.127 0.000 2.032 410 K HA -0.021 4.299 4.320 -0.001 0.000 0.209 410 K C 0.181 176.714 176.600 -0.111 0.000 1.048 410 K CA 1.415 57.644 56.287 -0.097 0.000 0.927 410 K CB 0.066 32.517 32.500 -0.082 0.000 0.712 410 K HN 0.426 nan 8.250 nan 0.000 0.441 411 K N 0.353 120.652 120.400 -0.168 0.000 2.376 411 K HA 0.398 4.718 4.320 -0.001 0.000 0.257 411 K C -0.995 175.412 176.600 -0.321 0.000 0.939 411 K CA -0.323 55.840 56.287 -0.205 0.000 0.809 411 K CB 2.054 34.430 32.500 -0.206 0.000 1.121 411 K HN -0.094 nan 8.250 nan 0.000 0.425 412 I N 4.470 124.828 120.570 -0.354 0.000 2.355 412 I HA 0.292 4.462 4.170 -0.001 0.000 0.288 412 I C -0.543 175.172 176.117 -0.670 0.000 0.999 412 I CA -0.787 60.158 61.300 -0.592 0.000 1.163 412 I CB 1.117 38.724 38.000 -0.654 0.000 1.316 412 I HN 0.346 nan 8.210 nan 0.000 0.454 413 I N 7.096 127.249 120.570 -0.695 0.000 2.388 413 I HA 0.294 4.463 4.170 -0.001 0.000 0.281 413 I C -0.353 175.541 176.117 -0.373 0.000 1.046 413 I CA -0.510 60.530 61.300 -0.433 0.000 1.187 413 I CB 0.106 37.926 38.000 -0.300 0.000 1.351 413 I HN 0.293 nan 8.210 nan 0.000 0.472 414 F N 4.625 124.489 119.950 -0.142 0.000 2.427 414 F HA 0.322 4.849 4.527 -0.000 0.000 0.352 414 F C 0.704 176.707 175.800 0.338 0.000 1.100 414 F CA -0.058 57.999 58.000 0.094 0.000 1.191 414 F CB 0.848 39.870 39.000 0.035 0.000 1.128 414 F HN 0.339 nan 8.300 nan 0.000 0.533 415 C N 2.281 121.914 119.300 0.554 0.000 2.482 415 C HA 0.947 5.406 4.460 -0.001 0.000 0.317 415 C C 0.353 175.381 174.990 0.064 0.000 1.197 415 C CA -0.887 58.339 59.018 0.347 0.000 1.432 415 C CB 0.709 28.551 27.740 0.170 0.000 2.062 415 C HN 1.095 nan 8.230 nan 0.000 0.471 416 G N 1.549 110.338 108.800 -0.019 0.000 2.349 416 G HA2 0.623 4.583 3.960 -0.001 0.000 0.294 416 G HA3 0.623 4.583 3.960 -0.001 0.000 0.294 416 G C -0.725 174.120 174.900 -0.091 0.000 1.380 416 G CA -0.116 44.703 45.100 -0.469 0.000 0.811 416 G HN 0.822 nan 8.290 nan 0.000 0.519 417 T N -1.199 113.292 114.554 -0.105 0.000 2.882 417 T HA 0.434 4.783 4.350 -0.001 0.000 0.287 417 T C 1.453 176.320 174.700 0.279 0.000 1.014 417 T CA -0.142 62.010 62.100 0.086 0.000 1.049 417 T CB 1.651 70.540 68.868 0.034 0.000 1.001 417 T HN 0.769 nan 8.240 nan 0.000 0.525 418 L N 1.268 122.678 121.223 0.313 0.000 2.240 418 L HA 0.171 4.511 4.340 -0.001 0.000 0.211 418 L C 1.246 178.314 176.870 0.331 0.000 1.106 418 L CA 1.060 56.148 54.840 0.413 0.000 0.793 418 L CB -0.171 41.995 42.059 0.179 0.000 0.927 418 L HN 1.094 nan 8.230 nan 0.000 0.446 419 T N -3.175 111.490 114.554 0.186 0.000 2.907 419 T HA 0.831 5.181 4.350 -0.001 0.000 0.290 419 T C -0.483 174.266 174.700 0.081 0.000 1.066 419 T CA -0.313 61.864 62.100 0.128 0.000 1.012 419 T CB 2.125 71.042 68.868 0.082 0.000 1.184 419 T HN 0.113 nan 8.240 nan 0.000 0.522 420 A N -0.713 122.141 122.820 0.057 0.000 2.530 420 A HA 0.960 5.279 4.320 -0.001 0.000 0.288 420 A C 0.389 177.992 177.584 0.033 0.000 1.172 420 A CA -0.520 51.535 52.037 0.030 0.000 0.733 420 A CB 0.753 19.758 19.000 0.009 0.000 1.320 420 A HN 2.549 nan 8.150 nan 0.000 0.419 421 G N 0.465 109.283 108.800 0.030 0.000 2.884 421 G HA2 0.273 4.232 3.960 -0.001 0.000 0.261 421 G HA3 0.273 4.232 3.960 -0.001 0.000 0.261 421 G C 0.445 175.361 174.900 0.026 0.000 1.025 421 G CA 0.831 45.950 45.100 0.032 0.000 1.228 421 G HN 2.697 nan 8.290 nan 0.000 0.558 422 S N -2.030 113.684 115.700 0.023 0.000 3.550 422 S HA -0.208 4.262 4.470 -0.001 0.000 0.372 422 S C 0.441 175.053 174.600 0.019 0.000 0.966 422 S CA 1.146 59.357 58.200 0.019 0.000 1.229 422 S CB -1.546 61.664 63.200 0.018 0.000 0.917 422 S HN 2.228 nan 8.310 nan 0.000 0.496 423 L N 1.127 122.362 121.223 0.020 0.000 2.367 423 L HA 0.608 4.948 4.340 -0.001 0.000 0.275 423 L C -0.052 176.828 176.870 0.018 0.000 1.129 423 L CA 0.433 55.285 54.840 0.021 0.000 0.839 423 L CB 0.553 42.627 42.059 0.026 0.000 1.133 423 L HN 0.334 nan 8.230 nan 0.000 0.453 424 K N 4.142 124.552 120.400 0.017 0.000 2.463 424 K HA 0.541 4.860 4.320 -0.001 0.000 0.255 424 K C -0.630 175.981 176.600 0.018 0.000 0.942 424 K CA -0.468 55.829 56.287 0.015 0.000 0.814 424 K CB 1.732 34.240 32.500 0.013 0.000 1.122 424 K HN 0.802 nan 8.250 nan 0.000 0.425 425 T N -0.759 113.807 114.554 0.020 0.000 2.916 425 T HA 0.621 4.971 4.350 -0.001 0.000 0.292 425 T C -0.569 174.146 174.700 0.026 0.000 1.064 425 T CA -0.857 61.258 62.100 0.026 0.000 1.011 425 T CB 2.174 71.064 68.868 0.037 0.000 1.152 425 T HN 0.406 nan 8.240 nan 0.000 0.510 426 E N 0.540 120.759 120.200 0.031 0.000 2.272 426 E HA 0.487 4.836 4.350 -0.001 0.000 0.269 426 E C -1.003 175.629 176.600 0.052 0.000 0.877 426 E CA -0.753 55.666 56.400 0.033 0.000 0.755 426 E CB 2.420 32.133 29.700 0.023 0.000 1.192 426 E HN 0.588 nan 8.360 nan 0.000 0.422 427 I N 2.754 123.361 120.570 0.061 0.000 2.347 427 I HA 0.506 4.675 4.170 -0.001 0.000 0.283 427 I C -0.328 175.834 176.117 0.074 0.000 1.058 427 I CA -0.287 61.073 61.300 0.100 0.000 1.202 427 I CB 0.890 38.962 38.000 0.119 0.000 1.386 427 I HN 0.405 nan 8.210 nan 0.000 0.475 428 A N 4.021 126.877 122.820 0.061 0.000 2.498 428 A HA 0.557 4.876 4.320 -0.001 0.000 0.298 428 A C -0.060 177.544 177.584 0.033 0.000 1.075 428 A CA -0.500 51.562 52.037 0.041 0.000 0.714 428 A CB 1.076 20.091 19.000 0.025 0.000 1.299 428 A HN 0.748 nan 8.150 nan 0.000 0.407 429 D N 0.542 120.960 120.400 0.029 0.000 2.811 429 D HA -0.212 4.427 4.640 -0.001 0.000 0.231 429 D C 1.005 177.315 176.300 0.018 0.000 1.157 429 D CA 2.368 56.379 54.000 0.018 0.000 0.716 429 D CB -1.409 39.393 40.800 0.003 0.000 1.077 429 D HN 2.153 nan 8.370 nan 0.000 0.428 430 G N -0.310 108.521 108.800 0.052 0.000 2.160 430 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.251 430 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.251 430 G C 0.172 175.053 174.900 -0.032 0.000 1.008 430 G CA 1.069 46.214 45.100 0.075 0.000 0.724 430 G HN 0.523 nan 8.290 nan 0.000 0.514 431 K N -1.352 119.020 120.400 -0.047 0.000 2.482 431 K HA 0.708 5.027 4.320 -0.001 0.000 0.257 431 K C -0.810 175.753 176.600 -0.062 0.000 0.969 431 K CA -1.193 54.976 56.287 -0.196 0.000 0.842 431 K CB 2.169 34.585 32.500 -0.141 0.000 1.359 431 K HN 0.115 nan 8.250 nan 0.000 0.441 432 L N 1.739 122.889 121.223 -0.121 0.000 2.276 432 L HA 0.324 4.664 4.340 -0.001 0.000 0.286 432 L C -1.261 175.609 176.870 0.001 0.000 1.061 432 L CA 0.169 55.034 54.840 0.042 0.000 0.807 432 L CB 0.463 42.589 42.059 0.112 0.000 1.177 432 L HN 0.525 nan 8.230 nan 0.000 0.429 433 N N 5.632 124.345 118.700 0.023 0.000 2.476 433 N HA 0.427 5.166 4.740 -0.001 0.000 0.257 433 N C -0.982 174.537 175.510 0.016 0.000 0.970 433 N CA -0.423 52.632 53.050 0.009 0.000 0.938 433 N CB 1.225 39.716 38.487 0.007 0.000 1.144 433 N HN 0.518 nan 8.380 nan 0.000 0.500 434 I N 2.992 123.567 120.570 0.009 0.000 2.329 434 I HA -0.013 4.157 4.170 -0.001 0.000 0.295 434 I C 1.529 177.651 176.117 0.008 0.000 1.109 434 I CA -0.300 61.008 61.300 0.012 0.000 1.297 434 I CB 0.469 38.474 38.000 0.010 0.000 1.433 434 I HN 0.506 nan 8.210 nan 0.000 0.509 435 V N 2.424 122.344 119.914 0.011 0.000 2.725 435 V HA 0.077 4.197 4.120 -0.001 0.000 0.247 435 V C 0.693 176.792 176.094 0.008 0.000 1.058 435 V CA 0.621 62.926 62.300 0.008 0.000 1.080 435 V CB -0.232 31.596 31.823 0.009 0.000 0.713 435 V HN 0.827 nan 8.190 nan 0.000 0.465 436 Q N 0.765 120.572 119.800 0.011 0.000 2.350 436 Q HA 0.344 4.684 4.340 -0.001 0.000 0.255 436 Q C -0.876 175.132 176.000 0.014 0.000 0.951 436 Q CA -0.498 55.311 55.803 0.011 0.000 0.751 436 Q CB 1.782 30.527 28.738 0.011 0.000 1.296 436 Q HN 0.530 nan 8.270 nan 0.000 0.453 437 E N 1.991 122.198 120.200 0.013 0.000 2.413 437 E HA 0.270 4.620 4.350 -0.001 0.000 0.263 437 E C -0.094 176.518 176.600 0.020 0.000 1.015 437 E CA 0.587 56.997 56.400 0.016 0.000 0.916 437 E CB 0.787 30.494 29.700 0.012 0.000 0.947 437 E HN 0.673 nan 8.360 nan 0.000 0.440 438 G N 3.424 112.240 108.800 0.027 0.000 2.491 438 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.238 438 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.238 438 G C 0.387 175.304 174.900 0.029 0.000 1.277 438 G CA -0.374 44.744 45.100 0.030 0.000 0.851 438 G HN 0.670 nan 8.290 nan 0.000 0.573 439 R N -0.084 120.433 120.500 0.027 0.000 2.115 439 R HA 0.013 4.352 4.340 -0.001 0.000 0.226 439 R C 0.304 176.622 176.300 0.030 0.000 1.100 439 R CA 0.544 56.660 56.100 0.025 0.000 0.980 439 R CB 0.028 30.342 30.300 0.024 0.000 0.875 439 R HN 0.297 nan 8.270 nan 0.000 0.445 440 V N 1.805 121.741 119.914 0.038 0.000 2.448 440 V HA 0.183 4.303 4.120 -0.001 0.000 0.295 440 V C -0.347 175.782 176.094 0.058 0.000 1.025 440 V CA -0.931 61.395 62.300 0.043 0.000 0.859 440 V CB 1.854 33.703 31.823 0.044 0.000 0.988 440 V HN 0.073 nan 8.190 nan 0.000 0.431 441 K N 3.521 123.957 120.400 0.060 0.000 2.379 441 K HA 0.251 4.570 4.320 -0.001 0.000 0.284 441 K C 0.571 177.231 176.600 0.100 0.000 1.044 441 K CA -0.110 56.229 56.287 0.088 0.000 0.974 441 K CB 1.052 33.593 32.500 0.069 0.000 0.962 441 K HN 0.540 nan 8.250 nan 0.000 0.474 442 K N 1.735 122.233 120.400 0.165 0.000 2.284 442 K HA 0.077 4.396 4.320 -0.001 0.000 0.198 442 K C -0.151 176.447 176.600 -0.003 0.000 1.048 442 K CA 0.475 56.826 56.287 0.107 0.000 0.987 442 K CB 0.285 32.907 32.500 0.203 0.000 0.800 442 K HN 0.366 nan 8.250 nan 0.000 0.486 443 F N 2.542 122.497 119.950 0.009 0.000 2.368 443 F HA 0.267 4.794 4.527 -0.001 0.000 0.362 443 F C 0.441 176.283 175.800 0.069 0.000 1.137 443 F CA -1.007 56.989 58.000 -0.007 0.000 1.161 443 F CB 0.239 39.110 39.000 -0.215 0.000 1.265 443 F HN -0.073 nan 8.300 nan 0.000 0.530 444 I N -0.584 120.119 120.570 0.221 0.000 3.133 444 I HA 0.649 4.818 4.170 -0.001 0.000 0.311 444 I C 0.997 177.231 176.117 0.195 0.000 1.072 444 I CA -1.210 60.190 61.300 0.165 0.000 1.015 444 I CB 1.518 39.548 38.000 0.050 0.000 1.233 444 I HN 0.239 nan 8.210 nan 0.000 0.473 445 R N 0.903 121.469 120.500 0.109 0.000 2.057 445 R HA 0.138 4.478 4.340 -0.001 0.000 0.229 445 R C -0.100 176.155 176.300 -0.075 0.000 1.136 445 R CA 1.640 57.758 56.100 0.030 0.000 0.952 445 R CB 0.084 30.406 30.300 0.036 0.000 0.848 445 R HN 0.753 nan 8.270 nan 0.000 0.430 446 E N 0.223 120.411 120.200 -0.021 0.000 2.275 446 E HA 0.189 4.539 4.350 -0.001 0.000 0.270 446 E C -0.943 175.655 176.600 -0.004 0.000 0.882 446 E CA -0.562 55.841 56.400 0.005 0.000 0.758 446 E CB 1.893 31.615 29.700 0.036 0.000 1.195 446 E HN 0.124 nan 8.360 nan 0.000 0.419 447 L N 3.896 125.116 121.223 -0.005 0.000 2.455 447 L HA 0.081 4.420 4.340 -0.001 0.000 0.272 447 L C -1.117 175.748 176.870 -0.008 0.000 1.174 447 L CA -1.153 53.677 54.840 -0.017 0.000 0.869 447 L CB 0.017 42.069 42.059 -0.012 0.000 1.130 447 L HN 0.276 nan 8.230 nan 0.000 0.474 448 P HA -0.076 nan 4.420 nan 0.000 0.216 448 P C -0.324 176.970 177.300 -0.010 0.000 1.153 448 P CA 1.259 64.345 63.100 -0.024 0.000 0.848 448 P CB 0.351 32.023 31.700 -0.047 0.000 0.787 449 E N -0.971 119.219 120.200 -0.017 0.000 2.308 449 E HA 0.383 4.733 4.350 -0.001 0.000 0.275 449 E C -0.723 175.968 176.600 0.151 0.000 0.890 449 E CA -0.635 55.806 56.400 0.070 0.000 0.754 449 E CB 2.102 31.835 29.700 0.056 0.000 1.207 449 E HN -0.046 nan 8.360 nan 0.000 0.426 450 I N 2.221 122.936 120.570 0.242 0.000 2.342 450 I HA 0.119 4.289 4.170 -0.001 0.000 0.291 450 I C 0.944 177.311 176.117 0.416 0.000 1.010 450 I CA 0.082 61.531 61.300 0.248 0.000 1.308 450 I CB 1.281 39.372 38.000 0.151 0.000 1.400 450 I HN 0.592 nan 8.210 nan 0.000 0.488 451 T N 4.963 119.764 114.554 0.413 0.000 3.040 451 T HA 0.130 4.479 4.350 -0.001 0.000 0.252 451 T C -0.105 174.996 174.700 0.668 0.000 1.064 451 T CA 0.430 62.840 62.100 0.517 0.000 1.110 451 T CB 0.102 69.132 68.868 0.270 0.000 0.921 451 T HN 0.427 nan 8.240 nan 0.000 0.480 452 F N 1.798 121.999 119.950 0.417 0.000 2.561 452 F HA 0.618 5.145 4.527 -0.001 0.000 0.313 452 F C -0.797 175.127 175.800 0.207 0.000 1.126 452 F CA -1.275 56.953 58.000 0.380 0.000 0.918 452 F CB 1.866 41.180 39.000 0.523 0.000 1.199 452 F HN -0.152 nan 8.300 nan 0.000 0.444 453 S N 4.087 119.430 115.700 -0.594 0.000 2.422 453 S HA 0.440 4.909 4.470 -0.001 0.000 0.308 453 S C 1.035 175.144 174.600 -0.819 0.000 1.097 453 S CA 0.084 57.980 58.200 -0.507 0.000 1.099 453 S CB 0.920 63.957 63.200 -0.272 0.000 0.976 453 S HN 1.079 nan 8.310 nan 0.000 0.471 454 G N 4.507 113.058 108.800 -0.416 0.000 2.418 454 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 454 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 454 G C 1.303 176.130 174.900 -0.121 0.000 1.158 454 G CA 0.924 45.934 45.100 -0.150 0.000 0.771 454 G HN 0.741 nan 8.290 nan 0.000 0.545 455 K N 0.021 120.346 120.400 -0.126 0.000 2.032 455 K HA -0.100 4.220 4.320 -0.001 0.000 0.209 455 K C 2.397 178.933 176.600 -0.107 0.000 1.048 455 K CA 1.290 57.520 56.287 -0.095 0.000 0.927 455 K CB -0.206 32.230 32.500 -0.106 0.000 0.712 455 K HN 0.207 nan 8.250 nan 0.000 0.441 456 I N 1.443 121.917 120.570 -0.160 0.000 2.252 456 I HA -0.186 3.984 4.170 -0.001 0.000 0.245 456 I C 2.593 178.646 176.117 -0.107 0.000 1.102 456 I CA 1.405 62.624 61.300 -0.134 0.000 1.385 456 I CB -1.617 36.294 38.000 -0.148 0.000 1.064 456 I HN 0.257 nan 8.210 nan 0.000 0.414 457 A N 0.964 123.692 122.820 -0.153 0.000 1.940 457 A HA -0.163 4.156 4.320 -0.001 0.000 0.219 457 A C 2.420 180.020 177.584 0.027 0.000 1.176 457 A CA 1.343 53.370 52.037 -0.015 0.000 0.631 457 A CB -0.792 18.279 19.000 0.118 0.000 0.814 457 A HN 0.402 nan 8.150 nan 0.000 0.446 458 L N -0.940 120.291 121.223 0.013 0.000 2.056 458 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 458 L C 2.549 179.419 176.870 0.001 0.000 1.078 458 L CA 1.541 56.394 54.840 0.022 0.000 0.749 458 L CB -0.606 41.468 42.059 0.026 0.000 0.901 458 L HN 0.449 nan 8.230 nan 0.000 0.433 459 E N 0.047 120.235 120.200 -0.020 0.000 2.160 459 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 459 E C 2.087 178.675 176.600 -0.019 0.000 0.991 459 E CA 0.952 57.336 56.400 -0.025 0.000 0.810 459 E CB 0.006 29.680 29.700 -0.043 0.000 0.742 459 E HN 0.401 nan 8.360 nan 0.000 0.466 460 R N -0.734 119.757 120.500 -0.015 0.000 2.310 460 R HA 0.063 4.403 4.340 -0.001 0.000 0.202 460 R C 0.978 177.278 176.300 0.000 0.000 0.933 460 R CA 0.481 56.576 56.100 -0.008 0.000 1.054 460 R CB 0.543 30.840 30.300 -0.006 0.000 0.985 460 R HN 0.218 nan 8.270 nan 0.000 0.489 461 G N 1.353 110.156 108.800 0.005 0.000 2.147 461 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.244 461 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.244 461 G C 0.031 174.937 174.900 0.009 0.000 1.005 461 G CA -0.126 44.978 45.100 0.007 0.000 0.713 461 G HN 0.151 nan 8.290 nan 0.000 0.515 462 L N -0.080 121.156 121.223 0.021 0.000 2.399 462 L HA 0.568 4.907 4.340 -0.001 0.000 0.266 462 L C 0.306 177.190 176.870 0.024 0.000 1.114 462 L CA -0.874 53.977 54.840 0.018 0.000 0.804 462 L CB 0.873 42.955 42.059 0.038 0.000 1.146 462 L HN 0.117 nan 8.230 nan 0.000 0.451 463 D N 1.456 121.849 120.400 -0.010 0.000 2.317 463 D HA 0.396 5.036 4.640 -0.001 0.000 0.234 463 D C -1.038 175.238 176.300 -0.042 0.000 1.112 463 D CA -0.181 53.811 54.000 -0.014 0.000 0.840 463 D CB 1.392 42.172 40.800 -0.032 0.000 1.078 463 D HN 0.103 nan 8.370 nan 0.000 0.486 464 V N 4.710 124.625 119.914 0.001 0.000 2.448 464 V HA 0.540 4.660 4.120 -0.001 0.000 0.295 464 V C 0.208 176.246 176.094 -0.094 0.000 1.025 464 V CA -0.860 61.403 62.300 -0.062 0.000 0.859 464 V CB 1.518 33.403 31.823 0.104 0.000 0.988 464 V HN 0.439 nan 8.190 nan 0.000 0.431 465 R N 2.986 123.351 120.500 -0.225 0.000 2.778 465 R HA 0.667 5.007 4.340 -0.001 0.000 0.277 465 R C -1.878 174.277 176.300 -0.241 0.000 0.977 465 R CA -0.610 55.436 56.100 -0.090 0.000 0.950 465 R CB 1.637 31.935 30.300 -0.003 0.000 1.165 465 R HN 0.629 nan 8.270 nan 0.000 0.474 466 Y N 3.536 124.041 120.300 0.341 0.000 2.363 466 Y HA 0.460 5.009 4.550 -0.001 0.000 0.325 466 Y C -0.354 175.819 175.900 0.455 0.000 0.984 466 Y CA -0.675 57.675 58.100 0.416 0.000 1.248 466 Y CB 1.208 39.889 38.460 0.368 0.000 1.116 466 Y HN 0.265 nan 8.280 nan 0.000 0.470 467 I N 4.255 125.128 120.570 0.505 0.000 2.321 467 I HA 0.399 4.569 4.170 -0.001 0.000 0.291 467 I C 0.243 176.612 176.117 0.419 0.000 0.998 467 I CA -0.390 61.125 61.300 0.358 0.000 1.227 467 I CB 1.497 39.617 38.000 0.200 0.000 1.368 467 I HN 0.656 nan 8.210 nan 0.000 0.466 468 T N 1.146 115.906 114.554 0.344 0.000 2.905 468 T HA 0.250 4.599 4.350 -0.001 0.000 0.283 468 T C 0.944 175.734 174.700 0.150 0.000 1.031 468 T CA -0.661 61.623 62.100 0.307 0.000 1.002 468 T CB 1.796 70.901 68.868 0.395 0.000 1.200 468 T HN 0.626 nan 8.240 nan 0.000 0.560 469 E N 0.985 121.257 120.200 0.120 0.000 2.268 469 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 469 E C 1.583 178.259 176.600 0.126 0.000 0.995 469 E CA 1.086 57.535 56.400 0.082 0.000 0.836 469 E CB -0.179 29.561 29.700 0.067 0.000 0.763 469 E HN 0.877 nan 8.360 nan 0.000 0.491 470 R N 0.160 120.723 120.500 0.105 0.000 2.419 470 R HA 0.559 4.899 4.340 -0.001 0.000 0.235 470 R C 0.308 176.612 176.300 0.008 0.000 0.899 470 R CA 0.392 56.534 56.100 0.070 0.000 1.048 470 R CB 0.661 30.983 30.300 0.037 0.000 1.182 470 R HN 0.091 nan 8.270 nan 0.000 0.544 471 A N 0.618 123.428 122.820 -0.017 0.000 2.594 471 A HA 0.578 4.897 4.320 -0.001 0.000 0.296 471 A C -1.544 175.918 177.584 -0.204 0.000 1.061 471 A CA -0.614 51.303 52.037 -0.200 0.000 0.689 471 A CB 2.212 20.997 19.000 -0.359 0.000 1.280 471 A HN -0.006 nan 8.150 nan 0.000 0.406 472 V N 1.481 121.188 119.914 -0.344 0.000 2.656 472 V HA 0.748 4.868 4.120 -0.001 0.000 0.307 472 V C -1.023 174.867 176.094 -0.341 0.000 1.051 472 V CA -0.355 61.853 62.300 -0.154 0.000 0.893 472 V CB 1.377 33.202 31.823 0.003 0.000 0.999 472 V HN 0.753 nan 8.190 nan 0.000 0.426 473 F N 0.794 120.882 119.950 0.231 0.000 2.593 473 F HA 0.773 5.299 4.527 -0.001 0.000 0.320 473 F C 0.390 176.396 175.800 0.343 0.000 1.060 473 F CA -0.693 57.471 58.000 0.273 0.000 0.940 473 F CB 2.471 41.644 39.000 0.290 0.000 1.268 473 F HN 0.299 nan 8.300 nan 0.000 0.475 474 T N 2.325 117.186 114.554 0.512 0.000 2.861 474 T HA 0.420 4.769 4.350 -0.001 0.000 0.287 474 T C -1.308 173.625 174.700 0.387 0.000 1.003 474 T CA -0.518 61.803 62.100 0.369 0.000 0.977 474 T CB 1.742 70.722 68.868 0.187 0.000 0.996 474 T HN 0.421 nan 8.240 nan 0.000 0.448 475 L N 4.266 125.728 121.223 0.397 0.000 2.360 475 L HA 0.464 4.803 4.340 -0.001 0.000 0.276 475 L C -0.195 176.766 176.870 0.152 0.000 1.121 475 L CA 0.560 55.608 54.840 0.345 0.000 0.845 475 L CB -0.168 42.145 42.059 0.423 0.000 1.143 475 L HN 0.422 nan 8.230 nan 0.000 0.452 476 K N 3.570 124.033 120.400 0.105 0.000 2.378 476 K HA 0.340 4.660 4.320 -0.001 0.000 0.244 476 K C 0.600 177.248 176.600 0.081 0.000 1.039 476 K CA -0.798 55.493 56.287 0.006 0.000 0.863 476 K CB 1.027 33.378 32.500 -0.249 0.000 1.326 476 K HN 0.454 nan 8.250 nan 0.000 0.460 477 E N 1.213 121.450 120.200 0.061 0.000 2.209 477 E HA -0.176 4.173 4.350 -0.001 0.000 0.196 477 E C 0.525 177.179 176.600 0.091 0.000 0.993 477 E CA 1.387 57.827 56.400 0.068 0.000 0.819 477 E CB 0.055 29.784 29.700 0.049 0.000 0.745 477 E HN 0.538 nan 8.360 nan 0.000 0.477 478 D N -0.608 119.877 120.400 0.141 0.000 2.388 478 D HA 0.230 4.870 4.640 -0.001 0.000 0.221 478 D C 0.970 177.355 176.300 0.141 0.000 1.133 478 D CA 0.397 54.480 54.000 0.138 0.000 0.831 478 D CB 0.371 41.258 40.800 0.145 0.000 0.962 478 D HN 0.113 nan 8.370 nan 0.000 0.502 479 G N -0.088 108.803 108.800 0.153 0.000 2.447 479 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.220 479 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.220 479 G C -1.309 173.738 174.900 0.245 0.000 1.261 479 G CA -0.754 44.415 45.100 0.114 0.000 1.000 479 G HN 0.196 nan 8.290 nan 0.000 0.515 480 L N 1.820 123.160 121.223 0.194 0.000 2.360 480 L HA 0.371 4.711 4.340 -0.001 0.000 0.276 480 L C 0.864 178.004 176.870 0.449 0.000 1.121 480 L CA 0.241 55.259 54.840 0.297 0.000 0.845 480 L CB 0.521 42.638 42.059 0.097 0.000 1.143 480 L HN 0.524 nan 8.230 nan 0.000 0.452 481 H N 4.061 123.304 119.070 0.289 0.000 2.519 481 H HA 0.219 4.775 4.556 -0.001 0.000 0.316 481 H C -0.443 175.067 175.328 0.304 0.000 1.065 481 H CA -1.211 54.986 56.048 0.248 0.000 1.264 481 H CB 1.733 31.596 29.762 0.167 0.000 1.413 481 H HN 0.369 nan 8.280 nan 0.000 0.465 482 L N 5.841 127.249 121.223 0.309 0.000 2.456 482 L HA 0.040 4.380 4.340 -0.001 0.000 0.277 482 L C 0.815 177.670 176.870 -0.025 0.000 1.124 482 L CA 0.403 55.226 54.840 -0.027 0.000 0.880 482 L CB -0.218 41.774 42.059 -0.111 0.000 1.192 482 L HN 0.655 nan 8.230 nan 0.000 0.463 483 I N 0.220 120.754 120.570 -0.059 0.000 3.939 483 I HA 0.424 4.594 4.170 -0.001 0.000 0.313 483 I C 0.052 176.153 176.117 -0.027 0.000 1.274 483 I CA -0.053 61.253 61.300 0.009 0.000 1.301 483 I CB 0.129 38.172 38.000 0.072 0.000 1.105 483 I HN 0.506 nan 8.210 nan 0.000 0.427 484 E N 1.615 121.757 120.200 -0.096 0.000 2.331 484 E HA 0.627 4.976 4.350 -0.001 0.000 0.275 484 E C -1.477 175.051 176.600 -0.120 0.000 0.895 484 E CA -0.707 55.655 56.400 -0.063 0.000 0.753 484 E CB 3.462 33.160 29.700 -0.004 0.000 1.216 484 E HN 0.201 nan 8.360 nan 0.000 0.434 485 I N 1.343 121.870 120.570 -0.071 0.000 2.582 485 I HA 0.579 4.749 4.170 -0.001 0.000 0.292 485 I C -0.928 175.161 176.117 -0.046 0.000 1.066 485 I CA -0.685 60.566 61.300 -0.083 0.000 1.053 485 I CB 1.320 39.264 38.000 -0.093 0.000 1.241 485 I HN 0.726 nan 8.210 nan 0.000 0.421 486 A N 8.188 130.989 122.820 -0.032 0.000 2.462 486 A HA 0.497 4.817 4.320 -0.001 0.000 0.243 486 A C -2.498 174.936 177.584 -0.250 0.000 1.076 486 A CA -1.057 50.931 52.037 -0.082 0.000 0.773 486 A CB -0.533 18.495 19.000 0.048 0.000 1.010 486 A HN 0.486 nan 8.150 nan 0.000 0.493 487 P HA 0.249 nan 4.420 nan 0.000 0.264 487 P C 0.914 178.012 177.300 -0.335 0.000 1.193 487 P CA 1.868 64.724 63.100 -0.407 0.000 0.763 487 P CB 0.589 31.957 31.700 -0.554 0.000 0.810 488 G N 0.980 109.665 108.800 -0.193 0.000 2.159 488 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.227 488 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.227 488 G C -0.219 174.626 174.900 -0.090 0.000 0.986 488 G CA -0.339 44.683 45.100 -0.130 0.000 0.651 488 G HN 0.563 nan 8.290 nan 0.000 0.523 489 V N 0.576 120.434 119.914 -0.093 0.000 2.656 489 V HA 0.596 4.716 4.120 -0.001 0.000 0.307 489 V C -0.604 175.453 176.094 -0.062 0.000 1.051 489 V CA -0.462 61.798 62.300 -0.066 0.000 0.893 489 V CB 2.021 33.807 31.823 -0.061 0.000 0.999 489 V HN 0.367 nan 8.190 nan 0.000 0.426 490 D N 2.961 123.331 120.400 -0.050 0.000 2.249 490 D HA 0.281 4.920 4.640 -0.001 0.000 0.246 490 D C 0.836 177.106 176.300 -0.049 0.000 1.114 490 D CA -0.493 53.478 54.000 -0.047 0.000 0.854 490 D CB 1.616 42.393 40.800 -0.038 0.000 1.132 490 D HN 0.336 nan 8.370 nan 0.000 0.461 491 L N 4.075 125.267 121.223 -0.052 0.000 1.978 491 L HA -0.217 4.122 4.340 -0.001 0.000 0.218 491 L C 1.994 178.832 176.870 -0.053 0.000 1.075 491 L CA 2.110 56.916 54.840 -0.057 0.000 0.767 491 L CB -1.047 40.980 42.059 -0.053 0.000 0.890 491 L HN 0.674 nan 8.230 nan 0.000 0.434 492 Q N -0.269 119.505 119.800 -0.045 0.000 2.020 492 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 492 Q C 2.270 178.245 176.000 -0.042 0.000 0.982 492 Q CA 2.236 58.014 55.803 -0.042 0.000 0.838 492 Q CB -0.141 28.576 28.738 -0.034 0.000 0.899 492 Q HN 0.570 nan 8.270 nan 0.000 0.423 493 K N -0.508 119.870 120.400 -0.037 0.000 2.167 493 K HA -0.029 4.291 4.320 -0.001 0.000 0.203 493 K C 1.179 177.760 176.600 -0.033 0.000 1.052 493 K CA 1.228 57.496 56.287 -0.032 0.000 0.956 493 K CB 0.269 32.754 32.500 -0.026 0.000 0.735 493 K HN 0.231 nan 8.250 nan 0.000 0.451 494 D N -0.339 120.039 120.400 -0.037 0.000 2.388 494 D HA 0.120 4.759 4.640 -0.001 0.000 0.208 494 D C 1.613 177.887 176.300 -0.044 0.000 1.035 494 D CA 0.635 54.615 54.000 -0.033 0.000 0.875 494 D CB 0.620 41.402 40.800 -0.030 0.000 0.984 494 D HN 0.137 nan 8.370 nan 0.000 0.508 495 I N -0.119 120.415 120.570 -0.060 0.000 3.523 495 I HA 0.006 4.176 4.170 -0.001 0.000 0.244 495 I C 2.143 178.196 176.117 -0.107 0.000 1.110 495 I CA 0.043 61.294 61.300 -0.082 0.000 1.517 495 I CB 0.136 38.086 38.000 -0.082 0.000 1.505 495 I HN -0.204 nan 8.210 nan 0.000 0.460 496 L N 0.876 122.042 121.223 -0.094 0.000 2.083 496 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 496 L C 1.606 178.417 176.870 -0.099 0.000 1.083 496 L CA 1.244 56.019 54.840 -0.107 0.000 0.752 496 L CB -0.679 41.332 42.059 -0.079 0.000 0.899 496 L HN 0.281 nan 8.230 nan 0.000 0.433 497 D N -0.192 120.166 120.400 -0.070 0.000 2.348 497 D HA -0.075 4.565 4.640 -0.001 0.000 0.216 497 D C 1.712 177.981 176.300 -0.052 0.000 0.970 497 D CA 0.769 54.737 54.000 -0.053 0.000 0.889 497 D CB 0.126 40.904 40.800 -0.037 0.000 0.912 497 D HN 0.141 nan 8.370 nan 0.000 0.524 498 K N -0.440 119.919 120.400 -0.068 0.000 2.358 498 K HA 0.256 4.575 4.320 -0.001 0.000 0.200 498 K C 0.352 176.910 176.600 -0.070 0.000 1.030 498 K CA -0.015 56.242 56.287 -0.049 0.000 1.097 498 K CB 0.795 33.277 32.500 -0.031 0.000 0.862 498 K HN 0.208 nan 8.250 nan 0.000 0.534 499 M N 0.528 120.039 119.600 -0.148 0.000 2.383 499 M HA 0.248 4.728 4.480 -0.001 0.000 0.325 499 M C -0.209 175.987 176.300 -0.174 0.000 1.092 499 M CA -0.482 54.680 55.300 -0.231 0.000 0.961 499 M CB 1.895 34.156 32.600 -0.565 0.000 1.672 499 M HN -0.231 nan 8.290 nan 0.000 0.438 500 D N 2.625 122.985 120.400 -0.066 0.000 2.352 500 D HA 0.214 4.854 4.640 -0.001 0.000 0.236 500 D C -0.888 175.486 176.300 0.124 0.000 1.148 500 D CA 0.568 54.584 54.000 0.027 0.000 0.844 500 D CB -0.233 40.609 40.800 0.071 0.000 0.933 500 D HN 0.407 nan 8.370 nan 0.000 0.507 501 F N -2.556 117.368 119.950 -0.044 0.000 2.662 501 F HA 0.485 5.012 4.527 -0.001 0.000 0.312 501 F C -0.529 175.232 175.800 -0.065 0.000 1.113 501 F CA -1.222 56.737 58.000 -0.068 0.000 0.951 501 F CB 0.807 39.742 39.000 -0.108 0.000 1.344 501 F HN -0.455 nan 8.300 nan 0.000 0.462 502 T N 3.727 118.376 114.554 0.158 0.000 2.738 502 T HA 0.423 4.772 4.350 -0.001 0.000 0.298 502 T C -2.448 172.339 174.700 0.146 0.000 0.962 502 T CA -0.903 61.227 62.100 0.049 0.000 0.972 502 T CB 0.480 69.370 68.868 0.037 0.000 0.928 502 T HN 0.431 nan 8.240 nan 0.000 0.474 503 P HA 0.329 nan 4.420 nan 0.000 0.276 503 P C -0.436 176.893 177.300 0.049 0.000 1.244 503 P CA -0.561 62.620 63.100 0.135 0.000 0.801 503 P CB 0.722 32.496 31.700 0.123 0.000 1.006 504 V N 2.878 122.785 119.914 -0.011 0.000 2.572 504 V HA 0.052 4.171 4.120 -0.001 0.000 0.291 504 V C 0.812 176.837 176.094 -0.115 0.000 1.039 504 V CA -0.178 62.011 62.300 -0.185 0.000 1.055 504 V CB 0.077 31.524 31.823 -0.627 0.000 0.969 504 V HN 0.339 nan 8.190 nan 0.000 0.482 505 I N 3.956 124.474 120.570 -0.085 0.000 2.312 505 I HA 0.171 4.340 4.170 -0.001 0.000 0.291 505 I C 0.770 176.868 176.117 -0.033 0.000 1.031 505 I CA 0.429 61.706 61.300 -0.037 0.000 1.293 505 I CB 1.009 38.992 38.000 -0.029 0.000 1.403 505 I HN 0.651 nan 8.210 nan 0.000 0.484 506 S N 9.099 124.812 115.700 0.022 0.000 2.537 506 S HA 0.142 4.612 4.470 -0.001 0.000 0.286 506 S C -0.846 173.779 174.600 0.041 0.000 1.299 506 S CA -0.877 57.368 58.200 0.075 0.000 1.067 506 S CB 0.621 63.895 63.200 0.124 0.000 0.864 506 S HN 0.467 nan 8.310 nan 0.000 0.494 507 P HA -0.066 nan 4.420 nan 0.000 0.222 507 P C 0.480 177.799 177.300 0.031 0.000 1.147 507 P CA 0.934 64.053 63.100 0.031 0.000 0.790 507 P CB 0.156 31.878 31.700 0.036 0.000 0.780 508 E N -0.400 119.826 120.200 0.044 0.000 2.476 508 E HA 0.054 4.404 4.350 -0.001 0.000 0.191 508 E C 0.741 177.360 176.600 0.030 0.000 1.064 508 E CA -0.598 55.825 56.400 0.038 0.000 0.866 508 E CB -0.414 29.314 29.700 0.046 0.000 0.952 508 E HN 0.195 nan 8.360 nan 0.000 0.492 509 L N 2.693 123.930 121.223 0.023 0.000 2.653 509 L HA -0.146 4.193 4.340 -0.001 0.000 0.288 509 L C 0.260 177.132 176.870 0.003 0.000 1.243 509 L CA 0.970 55.814 54.840 0.006 0.000 0.906 509 L CB 0.133 42.185 42.059 -0.011 0.000 1.154 509 L HN 0.002 nan 8.230 nan 0.000 0.498 510 K N 4.213 124.615 120.400 0.003 0.000 2.480 510 K HA 0.615 4.934 4.320 -0.001 0.000 0.258 510 K C -1.143 175.459 176.600 0.004 0.000 0.990 510 K CA -1.099 55.194 56.287 0.010 0.000 0.857 510 K CB 0.975 33.493 32.500 0.030 0.000 1.384 510 K HN 0.507 nan 8.250 nan 0.000 0.446 511 L N 2.049 123.275 121.223 0.006 0.000 2.426 511 L HA 0.204 4.543 4.340 -0.001 0.000 0.271 511 L C 0.439 177.345 176.870 0.060 0.000 1.169 511 L CA -0.401 54.441 54.840 0.003 0.000 0.836 511 L CB 0.470 42.517 42.059 -0.020 0.000 1.112 511 L HN 0.588 nan 8.230 nan 0.000 0.465 512 M N 2.441 122.099 119.600 0.096 0.000 2.248 512 M HA -0.020 4.459 4.480 -0.001 0.000 0.345 512 M C 0.405 176.883 176.300 0.296 0.000 1.243 512 M CA 0.037 55.466 55.300 0.215 0.000 1.090 512 M CB 0.061 32.860 32.600 0.332 0.000 1.683 512 M HN 0.469 nan 8.290 nan 0.000 0.450 513 D N 3.081 123.654 120.400 0.289 0.000 2.658 513 D HA -0.134 4.506 4.640 -0.001 0.000 0.230 513 D C 0.847 177.354 176.300 0.345 0.000 1.118 513 D CA 0.645 54.827 54.000 0.303 0.000 0.848 513 D CB 0.613 41.681 40.800 0.447 0.000 1.160 513 D HN 0.717 nan 8.370 nan 0.000 0.497 514 E N 3.740 124.097 120.200 0.262 0.000 2.118 514 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 514 E C 1.753 178.524 176.600 0.285 0.000 0.992 514 E CA 0.922 57.478 56.400 0.260 0.000 0.804 514 E CB 0.229 30.010 29.700 0.135 0.000 0.741 514 E HN 0.485 nan 8.360 nan 0.000 0.458 515 R N 0.072 120.702 120.500 0.217 0.000 2.139 515 R HA -0.159 4.181 4.340 -0.001 0.000 0.243 515 R C 2.543 178.901 176.300 0.096 0.000 1.145 515 R CA 1.217 57.417 56.100 0.167 0.000 0.976 515 R CB -0.397 30.019 30.300 0.193 0.000 0.866 515 R HN 0.271 nan 8.270 nan 0.000 0.449 516 L N -0.526 120.711 121.223 0.023 0.000 2.127 516 L HA -0.179 4.161 4.340 -0.001 0.000 0.211 516 L C 1.454 178.075 176.870 -0.415 0.000 1.089 516 L CA 1.328 55.974 54.840 -0.325 0.000 0.757 516 L CB -0.251 41.416 42.059 -0.653 0.000 0.899 516 L HN 0.143 nan 8.230 nan 0.000 0.434 517 F N -0.871 119.072 119.950 -0.012 0.000 2.727 517 F HA 0.269 4.795 4.527 -0.001 0.000 0.302 517 F C 0.781 176.580 175.800 -0.002 0.000 1.097 517 F CA -0.264 57.728 58.000 -0.012 0.000 1.330 517 F CB 0.074 39.069 39.000 -0.010 0.000 1.084 517 F HN -0.132 nan 8.300 nan 0.000 0.578 518 I N 0.215 120.861 120.570 0.127 0.000 2.392 518 I HA 0.118 4.287 4.170 -0.001 0.000 0.295 518 I C 0.156 176.298 176.117 0.043 0.000 0.985 518 I CA -0.623 60.728 61.300 0.087 0.000 1.221 518 I CB 1.017 39.068 38.000 0.086 0.000 1.366 518 I HN -0.214 nan 8.210 nan 0.000 0.467 519 D N 6.184 126.605 120.400 0.036 0.000 2.801 519 D HA 0.439 5.078 4.640 -0.001 0.000 0.232 519 D C -0.511 175.801 176.300 0.020 0.000 1.128 519 D CA 0.258 54.269 54.000 0.019 0.000 1.003 519 D CB -0.055 40.756 40.800 0.017 0.000 1.110 519 D HN 0.615 nan 8.370 nan 0.000 0.477 520 A N 0.239 123.073 122.820 0.023 0.000 2.612 520 A HA 0.710 5.030 4.320 -0.001 0.000 0.293 520 A C -0.587 177.017 177.584 0.034 0.000 1.075 520 A CA -0.417 51.637 52.037 0.028 0.000 0.680 520 A CB 0.784 19.804 19.000 0.033 0.000 1.279 520 A HN 0.291 nan 8.150 nan 0.000 0.411 521 A N 0.805 123.648 122.820 0.038 0.000 2.565 521 A HA 0.408 4.727 4.320 -0.001 0.000 0.237 521 A C 0.975 178.604 177.584 0.075 0.000 1.053 521 A CA 0.584 52.654 52.037 0.054 0.000 0.755 521 A CB -0.403 18.629 19.000 0.053 0.000 0.980 521 A HN 0.883 nan 8.150 nan 0.000 0.506 522 M N 2.014 121.678 119.600 0.107 0.000 2.419 522 M HA 0.096 4.575 4.480 -0.001 0.000 0.264 522 M C 1.604 177.992 176.300 0.147 0.000 1.082 522 M CA 1.247 56.634 55.300 0.145 0.000 1.119 522 M CB -0.070 32.659 32.600 0.215 0.000 1.398 522 M HN 1.308 nan 8.290 nan 0.000 0.453 523 G N 1.711 110.592 108.800 0.135 0.000 2.221 523 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.265 523 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.265 523 G C -0.108 174.862 174.900 0.117 0.000 1.041 523 G CA -0.271 44.888 45.100 0.099 0.000 0.807 523 G HN 0.469 nan 8.290 nan 0.000 0.502 524 F N 1.148 121.124 119.950 0.043 0.000 2.578 524 F HA 0.464 4.991 4.527 -0.001 0.000 0.376 524 F C 0.703 176.502 175.800 -0.002 0.000 1.085 524 F CA -0.248 57.763 58.000 0.018 0.000 1.260 524 F CB 0.996 40.059 39.000 0.106 0.000 1.095 524 F HN 0.597 nan 8.300 nan 0.000 0.573 525 V N 6.610 126.028 119.914 -0.828 0.000 2.409 525 V HA 0.477 4.597 4.120 -0.001 0.000 0.291 525 V C -0.773 174.658 176.094 -1.105 0.000 1.020 525 V CA -1.186 60.687 62.300 -0.711 0.000 0.848 525 V CB 1.185 32.800 31.823 -0.348 0.000 0.990 525 V HN 0.846 nan 8.190 nan 0.000 0.430 526 L N 8.300 129.070 121.223 -0.755 0.000 2.433 526 L HA 0.525 4.865 4.340 -0.001 0.000 0.275 526 L C -1.983 174.741 176.870 -0.244 0.000 1.128 526 L CA -0.706 53.861 54.840 -0.455 0.000 0.875 526 L CB 0.226 42.253 42.059 -0.054 0.000 1.171 526 L HN 0.625 nan 8.230 nan 0.000 0.463 527 P HA 0.177 nan 4.420 nan 0.000 0.272 527 P C -1.309 175.966 177.300 -0.041 0.000 1.223 527 P CA -0.339 62.701 63.100 -0.099 0.000 0.784 527 P CB 0.547 32.209 31.700 -0.063 0.000 0.923 528 E N 1.055 121.236 120.200 -0.032 0.000 2.158 528 E HA 0.546 4.896 4.350 -0.001 0.000 0.271 528 E C -0.513 176.083 176.600 -0.007 0.000 0.911 528 E CA -0.916 55.478 56.400 -0.009 0.000 0.767 528 E CB 1.153 30.849 29.700 -0.006 0.000 1.120 528 E HN 0.515 nan 8.360 nan 0.000 0.405 529 A N 0.000 122.821 122.820 0.001 0.000 2.254 529 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 529 A CA 0.000 52.037 52.037 0.000 0.000 0.836 529 A CB 0.000 19.002 19.000 0.003 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486