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 1wd9_1_A DATA FIRST_RESID 4 DATA SEQUENCE GTLIRVTPEQ PTHAVCVLGT LTQLDICSSA XXXXXSFSIN ASPGVVVDIA DATA SEQUENCE XXXXXXXXXX XXXXWPLDPG VEVTLTMKAA SGSTGDQKVQ ISYYXXKTPP DATA SEQUENCE VKALLYLTAV EISLCADITR TXXXXXXXXX XXQRTWTWGP CGQGAILLVN DATA SEQUENCE CDRDNLESSA MDCEDDEVLD SEDLQDMSLM TLSTKTPKDF FTNHTLVLHV DATA SEQUENCE ARSEMDKVRV FQATXXXXXX XCSVVLGPKW PSHYLMVPGG KHNMDFYVEA DATA SEQUENCE LAFPDTDFPG LITLTISLLD TSNLELPEAV VFQDSVVFRV APWIMTPNTQ DATA SEQUENCE PPQEVYACSX XXXEDFLKSV TTLAMKAKCK LTICPXXXXX XXQWMQDEME DATA SEQUENCE IGYIQAPHKT LPVVFDSPRN RGLKEFPIKR VMGPDFGYVT RGPQTGGISG DATA SEQUENCE LDSFGNLEVS PPVTVRGKEY PLGRILFGDS CYPSNDSRQM HQALQDFLSA DATA SEQUENCE QQVQAPVKLY SDWLSVGHVD EFLSFVPAPD RKGFRLLLAS PRSCYKLFQE DATA SEQUENCE QQNEGHGEAL LFXXXXXXXQ QKIKNILSNK TLREHNSFVE RCIDWNRELL DATA SEQUENCE KRELGLAESD IIDIPQLFKL KEFSKAEAFF PNMVNMLVLG KHLGIPKPFG DATA SEQUENCE PVINGRCCLE EKVCSLLEPL GLQCTFINDF FTYHIRHGEV HAGTNVRRKP DATA SEQUENCE FSFKWWNMVP 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 4 G C 0.000 174.928 174.900 0.046 0.000 0.946 4 G CA 0.000 45.127 45.100 0.045 0.000 0.502 5 T N 0.671 115.248 114.554 0.039 0.000 2.900 5 T HA 0.623 4.972 4.350 -0.001 0.000 0.295 5 T C -1.272 173.438 174.700 0.018 0.000 1.044 5 T CA -0.551 61.571 62.100 0.037 0.000 0.995 5 T CB 1.981 70.880 68.868 0.051 0.000 1.072 5 T HN 0.749 nan 8.240 nan 0.000 0.473 6 L N 3.326 124.558 121.223 0.015 0.000 2.388 6 L HA 0.608 4.947 4.340 -0.001 0.000 0.267 6 L C -1.117 175.755 176.870 0.004 0.000 0.995 6 L CA -0.501 54.340 54.840 0.002 0.000 0.864 6 L CB 0.317 42.376 42.059 -0.001 0.000 1.216 6 L HN 0.646 nan 8.230 nan 0.000 0.430 7 I N 4.516 125.085 120.570 -0.002 0.000 2.428 7 I HA 0.358 4.527 4.170 -0.001 0.000 0.289 7 I C 0.305 176.417 176.117 -0.009 0.000 1.019 7 I CA -0.391 60.911 61.300 0.003 0.000 1.351 7 I CB 0.752 38.753 38.000 0.002 0.000 1.412 7 I HN 0.489 nan 8.210 nan 0.000 0.513 8 R N 5.432 125.933 120.500 0.002 0.000 2.295 8 R HA 0.512 4.852 4.340 -0.001 0.000 0.324 8 R C -0.901 175.403 176.300 0.005 0.000 0.968 8 R CA -0.657 55.441 56.100 -0.004 0.000 0.837 8 R CB 1.905 32.205 30.300 0.000 0.000 1.133 8 R HN 0.519 nan 8.270 nan 0.000 0.450 9 V N -0.312 119.602 119.914 -0.000 0.000 2.732 9 V HA 0.791 4.911 4.120 -0.001 0.000 0.310 9 V C -0.096 176.024 176.094 0.044 0.000 1.053 9 V CA -0.580 61.731 62.300 0.018 0.000 0.957 9 V CB 1.884 33.706 31.823 -0.002 0.000 1.018 9 V HN 0.891 nan 8.190 nan 0.000 0.452 10 T N 0.497 115.086 114.554 0.058 0.000 2.971 10 T HA 0.563 4.912 4.350 -0.001 0.000 0.304 10 T C -2.362 172.380 174.700 0.070 0.000 1.038 10 T CA -1.574 60.553 62.100 0.045 0.000 1.007 10 T CB 1.853 70.735 68.868 0.023 0.000 1.055 10 T HN 0.434 nan 8.240 nan 0.000 0.451 11 P HA -0.105 nan 4.420 nan 0.000 0.219 11 P C 1.462 178.787 177.300 0.042 0.000 1.146 11 P CA 0.988 64.127 63.100 0.064 0.000 0.808 11 P CB 0.244 31.943 31.700 -0.001 0.000 0.779 12 E N 0.424 120.635 120.200 0.019 0.000 2.048 12 E HA -0.202 4.147 4.350 -0.001 0.000 0.202 12 E C 0.961 177.587 176.600 0.043 0.000 1.021 12 E CA 1.371 57.784 56.400 0.022 0.000 0.825 12 E CB -0.255 29.451 29.700 0.010 0.000 0.756 12 E HN 0.223 nan 8.360 nan 0.000 0.454 13 Q N -1.098 118.737 119.800 0.059 0.000 2.630 13 Q HA 0.353 4.692 4.340 -0.001 0.000 0.295 13 Q C -2.826 173.244 176.000 0.116 0.000 0.944 13 Q CA -1.906 53.949 55.803 0.087 0.000 0.766 13 Q CB 1.079 29.867 28.738 0.083 0.000 1.471 13 Q HN -0.044 nan 8.270 nan 0.000 0.416 14 P HA 0.073 nan 4.420 nan 0.000 0.267 14 P C -0.479 176.951 177.300 0.217 0.000 1.200 14 P CA 0.310 63.524 63.100 0.190 0.000 0.772 14 P CB 0.326 32.224 31.700 0.331 0.000 0.855 15 T N 2.445 117.079 114.554 0.133 0.000 2.907 15 T HA 0.374 4.723 4.350 -0.001 0.000 0.284 15 T C -0.396 174.356 174.700 0.086 0.000 1.004 15 T CA -0.195 61.999 62.100 0.157 0.000 1.063 15 T CB 0.300 69.213 68.868 0.075 0.000 0.992 15 T HN 0.398 nan 8.240 nan 0.000 0.483 16 H N 0.238 119.376 119.070 0.113 0.000 2.538 16 H HA 0.733 5.288 4.556 -0.001 0.000 0.353 16 H C -0.425 174.963 175.328 0.100 0.000 1.109 16 H CA -0.442 55.681 56.048 0.125 0.000 1.192 16 H CB 1.588 31.403 29.762 0.087 0.000 1.555 16 H HN 0.878 nan 8.280 nan 0.000 0.518 17 A N 2.226 125.152 122.820 0.176 0.000 2.589 17 A HA 0.581 4.901 4.320 -0.001 0.000 0.296 17 A C -1.324 176.327 177.584 0.112 0.000 1.062 17 A CA -0.651 51.465 52.037 0.132 0.000 0.686 17 A CB 1.021 20.069 19.000 0.081 0.000 1.282 17 A HN 0.447 nan 8.150 nan 0.000 0.404 18 V N 0.086 120.064 119.914 0.107 0.000 2.644 18 V HA 0.479 4.598 4.120 -0.001 0.000 0.295 18 V C -0.185 175.908 176.094 -0.002 0.000 1.053 18 V CA -0.410 61.921 62.300 0.051 0.000 0.987 18 V CB 1.232 33.082 31.823 0.046 0.000 1.006 18 V HN 0.968 nan 8.190 nan 0.000 0.472 19 C N 3.823 123.085 119.300 -0.063 0.000 2.346 19 C HA 0.528 4.988 4.460 -0.001 0.000 0.326 19 C C 0.077 174.960 174.990 -0.178 0.000 1.224 19 C CA -0.925 58.039 59.018 -0.090 0.000 1.408 19 C CB 0.885 28.582 27.740 -0.072 0.000 2.089 19 C HN 0.636 nan 8.230 nan 0.000 0.456 20 V N 5.091 124.857 119.914 -0.247 0.000 2.508 20 V HA 0.147 4.266 4.120 -0.001 0.000 0.281 20 V C 0.561 176.485 176.094 -0.283 0.000 1.041 20 V CA -0.146 61.904 62.300 -0.418 0.000 1.016 20 V CB 0.571 31.835 31.823 -0.932 0.000 0.984 20 V HN 0.695 nan 8.190 nan 0.000 0.478 21 L N 4.676 125.754 121.223 -0.241 0.000 2.525 21 L HA 0.257 4.596 4.340 -0.001 0.000 0.278 21 L C 1.523 178.322 176.870 -0.120 0.000 1.218 21 L CA 1.268 56.017 54.840 -0.152 0.000 0.878 21 L CB -0.178 41.804 42.059 -0.128 0.000 1.127 21 L HN 1.044 nan 8.230 nan 0.000 0.492 22 G N 1.422 110.182 108.800 -0.068 0.000 2.199 22 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.254 22 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.254 22 G C 0.334 175.238 174.900 0.006 0.000 0.982 22 G CA 0.303 45.387 45.100 -0.026 0.000 0.632 22 G HN 0.759 nan 8.290 nan 0.000 0.529 23 T N -1.241 113.311 114.554 -0.002 0.000 2.862 23 T HA 0.685 5.034 4.350 -0.001 0.000 0.276 23 T C 0.266 174.975 174.700 0.014 0.000 0.974 23 T CA -0.572 61.554 62.100 0.044 0.000 0.966 23 T CB 2.237 71.157 68.868 0.087 0.000 1.072 23 T HN 0.836 nan 8.240 nan 0.000 0.538 24 L N 1.856 123.093 121.223 0.025 0.000 2.276 24 L HA 0.433 4.773 4.340 -0.001 0.000 0.286 24 L C -0.879 175.995 176.870 0.006 0.000 1.024 24 L CA -0.313 54.532 54.840 0.008 0.000 0.826 24 L CB 0.768 42.832 42.059 0.009 0.000 1.211 24 L HN 0.904 nan 8.230 nan 0.000 0.422 25 T N 5.322 119.871 114.554 -0.008 0.000 2.743 25 T HA 0.437 4.787 4.350 -0.001 0.000 0.292 25 T C 0.083 174.770 174.700 -0.023 0.000 0.972 25 T CA -0.429 61.664 62.100 -0.011 0.000 0.967 25 T CB 1.321 70.178 68.868 -0.019 0.000 0.926 25 T HN 0.571 nan 8.240 nan 0.000 0.459 26 Q N 2.128 121.915 119.800 -0.022 0.000 2.194 26 Q HA 0.613 4.952 4.340 -0.001 0.000 0.245 26 Q C -0.992 174.982 176.000 -0.044 0.000 0.993 26 Q CA -1.110 54.671 55.803 -0.037 0.000 0.930 26 Q CB 1.604 30.322 28.738 -0.033 0.000 1.238 26 Q HN 0.306 nan 8.270 nan 0.000 0.486 27 L N 1.757 122.942 121.223 -0.064 0.000 2.409 27 L HA 0.288 4.627 4.340 -0.001 0.000 0.272 27 L C -1.355 175.460 176.870 -0.091 0.000 0.980 27 L CA -0.450 54.342 54.840 -0.081 0.000 0.826 27 L CB 1.930 43.922 42.059 -0.111 0.000 1.268 27 L HN 0.687 nan 8.230 nan 0.000 0.407 28 D N 4.380 124.736 120.400 -0.074 0.000 2.428 28 D HA 0.265 4.904 4.640 -0.001 0.000 0.221 28 D C 0.967 177.211 176.300 -0.092 0.000 1.123 28 D CA -0.124 53.833 54.000 -0.073 0.000 0.869 28 D CB 0.787 41.563 40.800 -0.041 0.000 1.032 28 D HN 0.477 nan 8.370 nan 0.000 0.506 29 I N 1.952 122.426 120.570 -0.159 0.000 2.852 29 I HA -0.098 4.071 4.170 -0.001 0.000 0.264 29 I C 2.010 178.095 176.117 -0.053 0.000 1.179 29 I CA 0.222 61.407 61.300 -0.191 0.000 1.480 29 I CB 0.291 37.928 38.000 -0.605 0.000 1.111 29 I HN 0.441 nan 8.210 nan 0.000 0.441 30 C N -0.337 118.926 119.300 -0.062 0.000 2.495 30 C HA 0.003 4.462 4.460 -0.001 0.000 0.275 30 C C 3.042 178.011 174.990 -0.036 0.000 1.392 30 C CA 0.435 59.439 59.018 -0.024 0.000 1.766 30 C CB -0.786 26.949 27.740 -0.009 0.000 1.933 30 C HN 0.423 nan 8.230 nan 0.000 0.519 31 S N 1.029 116.707 115.700 -0.037 0.000 2.348 31 S HA -0.057 4.412 4.470 -0.001 0.000 0.221 31 S C 1.011 175.577 174.600 -0.056 0.000 1.033 31 S CA 1.047 59.225 58.200 -0.037 0.000 1.010 31 S CB -0.043 63.141 63.200 -0.026 0.000 0.891 31 S HN 0.688 nan 8.310 nan 0.000 0.442 32 S N 0.098 115.752 115.700 -0.077 0.000 2.578 32 S HA 0.864 5.333 4.470 -0.001 0.000 0.301 32 S C -0.298 174.147 174.600 -0.258 0.000 1.091 32 S CA -0.690 57.438 58.200 -0.121 0.000 1.032 32 S CB 1.986 65.133 63.200 -0.087 0.000 1.064 32 S HN 0.528 nan 8.310 nan 0.000 0.508 40 F N -0.997 118.626 119.950 -0.545 0.000 2.703 40 F HA 0.875 5.401 4.527 -0.002 0.000 0.308 40 F C -1.055 174.727 175.800 -0.032 0.000 1.126 40 F CA -0.496 57.301 58.000 -0.338 0.000 0.959 40 F CB 0.940 39.784 39.000 -0.259 0.000 1.297 40 F HN 0.436 nan 8.300 nan 0.000 0.441 41 S N 2.099 117.977 115.700 0.296 0.000 2.600 41 S HA 0.829 5.299 4.470 -0.001 0.000 0.300 41 S C -1.361 173.407 174.600 0.279 0.000 1.087 41 S CA -0.665 57.705 58.200 0.283 0.000 0.965 41 S CB 1.927 65.300 63.200 0.288 0.000 1.089 41 S HN 0.620 nan 8.310 nan 0.000 0.496 42 I N 2.747 123.448 120.570 0.219 0.000 2.465 42 I HA 0.458 4.627 4.170 -0.001 0.000 0.291 42 I C -0.691 175.468 176.117 0.070 0.000 1.014 42 I CA -0.251 61.119 61.300 0.118 0.000 1.093 42 I CB 1.844 39.904 38.000 0.099 0.000 1.267 42 I HN 0.561 nan 8.210 nan 0.000 0.431 43 N N 5.154 123.870 118.700 0.026 0.000 2.295 43 N HA 0.857 5.596 4.740 -0.001 0.000 0.293 43 N C -1.651 173.844 175.510 -0.025 0.000 1.040 43 N CA -0.395 52.659 53.050 0.007 0.000 0.840 43 N CB 2.043 40.535 38.487 0.008 0.000 1.468 43 N HN 0.651 nan 8.380 nan 0.000 0.478 44 A N 1.600 124.404 122.820 -0.027 0.000 2.475 44 A HA 0.657 4.977 4.320 -0.001 0.000 0.301 44 A C -0.202 177.360 177.584 -0.038 0.000 1.059 44 A CA -0.589 51.420 52.037 -0.047 0.000 0.710 44 A CB 0.715 19.686 19.000 -0.050 0.000 1.288 44 A HN 0.920 nan 8.150 nan 0.000 0.408 45 S N 1.703 117.375 115.700 -0.047 0.000 2.549 45 S HA 0.125 4.594 4.470 -0.001 0.000 0.278 45 S C -1.409 173.175 174.600 -0.026 0.000 1.344 45 S CA 0.297 58.477 58.200 -0.033 0.000 1.025 45 S CB -0.107 63.072 63.200 -0.034 0.000 0.851 45 S HN 0.491 nan 8.310 nan 0.000 0.530 46 P HA 0.044 nan 4.420 nan 0.000 0.222 46 P C 1.473 178.761 177.300 -0.019 0.000 1.147 46 P CA 1.534 64.624 63.100 -0.016 0.000 0.790 46 P CB -0.595 31.098 31.700 -0.012 0.000 0.780 47 G N -0.534 108.252 108.800 -0.023 0.000 2.572 47 G HA2 0.015 3.975 3.960 -0.001 0.000 0.216 47 G HA3 0.015 3.975 3.960 -0.001 0.000 0.216 47 G C 0.416 175.297 174.900 -0.032 0.000 1.133 47 G CA 0.124 45.208 45.100 -0.027 0.000 0.791 47 G HN 0.199 nan 8.290 nan 0.000 0.538 48 V N 0.863 120.757 119.914 -0.034 0.000 2.481 48 V HA 0.418 4.537 4.120 -0.001 0.000 0.286 48 V C -0.310 175.766 176.094 -0.031 0.000 1.042 48 V CA -0.703 61.575 62.300 -0.038 0.000 0.928 48 V CB 1.952 33.748 31.823 -0.046 0.000 0.986 48 V HN -0.095 nan 8.190 nan 0.000 0.462 49 V N 5.554 125.450 119.914 -0.031 0.000 2.334 49 V HA 0.308 4.428 4.120 -0.001 0.000 0.281 49 V C -0.125 175.951 176.094 -0.030 0.000 1.016 49 V CA -0.503 61.782 62.300 -0.025 0.000 0.832 49 V CB 1.850 33.660 31.823 -0.021 0.000 0.999 49 V HN 0.641 nan 8.190 nan 0.000 0.439 50 V N 4.373 124.271 119.914 -0.027 0.000 2.320 50 V HA 0.255 4.375 4.120 -0.001 0.000 0.265 50 V C 0.067 176.140 176.094 -0.035 0.000 1.048 50 V CA -0.396 61.882 62.300 -0.038 0.000 0.865 50 V CB 0.992 32.796 31.823 -0.032 0.000 1.043 50 V HN 0.907 nan 8.190 nan 0.000 0.474 51 D N 4.127 124.500 120.400 -0.046 0.000 2.225 51 D HA 0.526 5.165 4.640 -0.001 0.000 0.249 51 D C -0.593 175.643 176.300 -0.108 0.000 1.052 51 D CA -0.345 53.626 54.000 -0.049 0.000 0.909 51 D CB 1.270 42.050 40.800 -0.034 0.000 1.186 51 D HN 0.343 nan 8.370 nan 0.000 0.431 52 I N 2.966 123.442 120.570 -0.155 0.000 2.602 52 I HA 0.366 4.535 4.170 -0.001 0.000 0.274 52 I C -0.937 174.900 176.117 -0.467 0.000 1.191 52 I CA -0.230 60.844 61.300 -0.376 0.000 1.068 52 I CB 0.257 37.957 38.000 -0.500 0.000 1.274 52 I HN 0.521 nan 8.210 nan 0.000 0.485 69 P HA 0.257 nan 4.420 nan 0.000 0.274 69 P C -0.191 177.226 177.300 0.195 0.000 1.231 69 P CA -0.338 62.782 63.100 0.033 0.000 0.790 69 P CB 0.819 32.555 31.700 0.060 0.000 0.951 70 L N 1.418 122.770 121.223 0.215 0.000 2.998 70 L HA 0.204 4.543 4.340 -0.001 0.000 0.234 70 L C 0.015 176.992 176.870 0.179 0.000 1.350 70 L CA 0.033 55.052 54.840 0.298 0.000 1.202 70 L CB -1.135 41.070 42.059 0.244 0.000 1.583 70 L HN 0.284 nan 8.230 nan 0.000 0.456 71 D N -0.300 120.204 120.400 0.174 0.000 2.225 71 D HA 0.211 4.850 4.640 -0.001 0.000 0.248 71 D C -1.340 175.021 176.300 0.101 0.000 1.096 71 D CA -1.730 52.338 54.000 0.113 0.000 0.863 71 D CB 1.400 42.260 40.800 0.101 0.000 1.156 71 D HN 0.081 nan 8.370 nan 0.000 0.450 72 P HA 0.016 nan 4.420 nan 0.000 0.230 72 P C 1.109 178.428 177.300 0.033 0.000 1.158 72 P CA 0.368 63.491 63.100 0.037 0.000 0.769 72 P CB 0.200 31.913 31.700 0.022 0.000 0.807 73 G N 0.158 108.984 108.800 0.044 0.000 2.776 73 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.209 73 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.209 73 G C 0.346 175.271 174.900 0.042 0.000 1.145 73 G CA -0.063 45.060 45.100 0.038 0.000 0.791 73 G HN 0.305 nan 8.290 nan 0.000 0.530 74 V N 1.185 121.133 119.914 0.056 0.000 2.385 74 V HA 0.330 4.449 4.120 -0.001 0.000 0.269 74 V C 0.011 176.096 176.094 -0.015 0.000 1.043 74 V CA -0.978 61.348 62.300 0.043 0.000 0.906 74 V CB 1.133 33.027 31.823 0.119 0.000 0.995 74 V HN 0.486 nan 8.190 nan 0.000 0.467 75 E N 6.170 126.340 120.200 -0.049 0.000 2.227 75 E HA 0.506 4.856 4.350 -0.001 0.000 0.282 75 E C -1.550 174.979 176.600 -0.119 0.000 1.015 75 E CA -0.595 55.765 56.400 -0.066 0.000 0.823 75 E CB 1.749 31.423 29.700 -0.045 0.000 1.081 75 E HN 0.456 nan 8.360 nan 0.000 0.396 76 V N 4.862 124.709 119.914 -0.113 0.000 2.398 76 V HA 0.248 4.367 4.120 -0.001 0.000 0.282 76 V C -0.127 175.907 176.094 -0.100 0.000 1.014 76 V CA -0.661 61.557 62.300 -0.136 0.000 0.838 76 V CB 1.093 32.828 31.823 -0.147 0.000 1.018 76 V HN 0.873 nan 8.190 nan 0.000 0.432 77 T N 3.332 117.834 114.554 -0.087 0.000 2.929 77 T HA 0.857 5.206 4.350 -0.001 0.000 0.284 77 T C -0.555 174.108 174.700 -0.060 0.000 1.014 77 T CA -0.747 61.315 62.100 -0.063 0.000 1.051 77 T CB 1.958 70.798 68.868 -0.046 0.000 1.028 77 T HN 0.313 nan 8.240 nan 0.000 0.485 78 L N 2.218 123.410 121.223 -0.051 0.000 2.385 78 L HA 0.668 5.007 4.340 -0.001 0.000 0.273 78 L C -0.052 176.793 176.870 -0.041 0.000 0.990 78 L CA -0.960 53.851 54.840 -0.048 0.000 0.821 78 L CB 2.313 44.341 42.059 -0.051 0.000 1.279 78 L HN 0.972 nan 8.230 nan 0.000 0.412 79 T N -0.177 114.353 114.554 -0.040 0.000 2.893 79 T HA 0.765 5.114 4.350 -0.001 0.000 0.291 79 T C -0.507 174.167 174.700 -0.043 0.000 1.028 79 T CA -0.807 61.270 62.100 -0.039 0.000 0.995 79 T CB 2.526 71.374 68.868 -0.033 0.000 1.051 79 T HN 0.343 nan 8.240 nan 0.000 0.470 80 M N 1.771 121.341 119.600 -0.049 0.000 2.705 80 M HA 0.532 5.011 4.480 -0.001 0.000 0.311 80 M C 1.067 177.337 176.300 -0.050 0.000 1.214 80 M CA -0.739 54.529 55.300 -0.052 0.000 0.920 80 M CB 2.114 34.675 32.600 -0.064 0.000 1.687 80 M HN 0.602 nan 8.290 nan 0.000 0.481 81 K N 0.318 120.691 120.400 -0.046 0.000 2.344 81 K HA 0.457 4.777 4.320 -0.001 0.000 0.200 81 K C -0.446 176.126 176.600 -0.048 0.000 1.132 81 K CA 0.414 56.676 56.287 -0.043 0.000 0.935 81 K CB 0.853 33.333 32.500 -0.033 0.000 1.089 81 K HN 0.734 nan 8.250 nan 0.000 0.496 82 A N 0.964 123.755 122.820 -0.049 0.000 2.320 82 A HA 0.708 5.028 4.320 -0.001 0.000 0.334 82 A C -0.570 176.972 177.584 -0.070 0.000 1.147 82 A CA -0.376 51.629 52.037 -0.053 0.000 0.820 82 A CB 1.056 20.032 19.000 -0.041 0.000 1.218 82 A HN 0.226 nan 8.150 nan 0.000 0.482 83 A N 1.228 123.998 122.820 -0.083 0.000 2.520 83 A HA 0.473 4.792 4.320 -0.001 0.000 0.235 83 A C 0.853 178.383 177.584 -0.091 0.000 1.065 83 A CA 0.185 52.155 52.037 -0.112 0.000 0.764 83 A CB -0.359 18.568 19.000 -0.122 0.000 1.002 83 A HN 1.007 nan 8.150 nan 0.000 0.502 84 S N 0.784 116.421 115.700 -0.104 0.000 2.568 84 S HA 0.288 4.758 4.470 -0.001 0.000 0.282 84 S C 1.581 176.146 174.600 -0.058 0.000 1.338 84 S CA 0.276 58.434 58.200 -0.070 0.000 1.045 84 S CB 1.085 64.245 63.200 -0.068 0.000 0.873 84 S HN 1.026 nan 8.310 nan 0.000 0.516 85 G N 0.779 109.562 108.800 -0.028 0.000 2.662 85 G HA2 0.219 4.178 3.960 -0.001 0.000 0.212 85 G HA3 0.219 4.178 3.960 -0.001 0.000 0.212 85 G C 0.214 175.115 174.900 0.001 0.000 1.141 85 G CA 0.418 45.510 45.100 -0.014 0.000 0.797 85 G HN 0.812 nan 8.290 nan 0.000 0.531 86 S N -0.851 114.855 115.700 0.009 0.000 2.541 86 S HA 0.500 4.970 4.470 -0.001 0.000 0.271 86 S C -0.510 174.117 174.600 0.045 0.000 1.133 86 S CA -0.474 57.743 58.200 0.029 0.000 0.876 86 S CB 1.402 64.620 63.200 0.029 0.000 1.105 86 S HN -0.007 nan 8.310 nan 0.000 0.470 87 T N 2.069 116.665 114.554 0.071 0.000 2.939 87 T HA 0.394 4.743 4.350 -0.001 0.000 0.312 87 T C 1.538 176.296 174.700 0.097 0.000 1.064 87 T CA 1.434 63.594 62.100 0.101 0.000 1.136 87 T CB -0.466 68.466 68.868 0.108 0.000 1.035 87 T HN 2.112 nan 8.240 nan 0.000 0.538 88 G N 2.959 111.835 108.800 0.128 0.000 2.258 88 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.274 88 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.274 88 G C 0.801 175.800 174.900 0.165 0.000 1.021 88 G CA 0.516 45.722 45.100 0.177 0.000 0.798 88 G HN 0.831 nan 8.290 nan 0.000 0.507 89 D N -0.525 119.930 120.400 0.091 0.000 2.158 89 D HA -0.044 4.596 4.640 -0.001 0.000 0.197 89 D C 1.376 177.702 176.300 0.044 0.000 0.995 89 D CA 1.447 55.481 54.000 0.057 0.000 0.846 89 D CB 0.211 41.024 40.800 0.022 0.000 0.941 89 D HN 0.539 nan 8.370 nan 0.000 0.456 90 Q N -0.586 119.232 119.800 0.030 0.000 2.345 90 Q HA 0.439 4.779 4.340 -0.001 0.000 0.268 90 Q C -0.782 175.191 176.000 -0.045 0.000 1.054 90 Q CA -0.603 55.193 55.803 -0.011 0.000 0.835 90 Q CB 2.018 30.741 28.738 -0.025 0.000 1.339 90 Q HN 0.066 nan 8.270 nan 0.000 0.447 91 K N -0.669 119.669 120.400 -0.102 0.000 2.512 91 K HA 0.833 5.152 4.320 -0.001 0.000 0.263 91 K C -1.272 175.220 176.600 -0.179 0.000 0.966 91 K CA -0.983 55.170 56.287 -0.223 0.000 0.851 91 K CB 1.576 33.818 32.500 -0.429 0.000 1.395 91 K HN 0.257 nan 8.250 nan 0.000 0.440 92 V N 1.275 121.061 119.914 -0.213 0.000 2.540 92 V HA 0.335 4.454 4.120 -0.001 0.000 0.302 92 V C -0.949 175.040 176.094 -0.175 0.000 1.035 92 V CA -0.682 61.526 62.300 -0.153 0.000 0.873 92 V CB 1.520 33.269 31.823 -0.125 0.000 0.992 92 V HN 0.813 nan 8.190 nan 0.000 0.428 93 Q N 4.016 123.742 119.800 -0.124 0.000 2.327 93 Q HA 0.616 4.955 4.340 -0.001 0.000 0.270 93 Q C -1.749 174.201 176.000 -0.084 0.000 1.022 93 Q CA -0.657 55.081 55.803 -0.107 0.000 0.773 93 Q CB 1.730 30.419 28.738 -0.082 0.000 1.251 93 Q HN 0.733 nan 8.270 nan 0.000 0.457 94 I N 2.538 123.034 120.570 -0.122 0.000 2.330 94 I HA 0.254 4.424 4.170 -0.001 0.000 0.289 94 I C -0.294 175.671 176.117 -0.253 0.000 1.001 94 I CA -0.105 61.071 61.300 -0.206 0.000 1.193 94 I CB 1.915 39.702 38.000 -0.356 0.000 1.345 94 I HN 0.408 nan 8.210 nan 0.000 0.461 95 S N 5.453 121.070 115.700 -0.140 0.000 2.480 95 S HA 0.504 4.973 4.470 -0.001 0.000 0.286 95 S C -0.811 173.742 174.600 -0.080 0.000 1.180 95 S CA -0.463 57.722 58.200 -0.024 0.000 1.075 95 S CB 0.353 63.633 63.200 0.134 0.000 0.996 95 S HN 0.281 nan 8.310 nan 0.000 0.487 96 Y N 3.309 123.718 120.300 0.180 0.000 2.353 96 Y HA 0.478 5.027 4.550 -0.001 0.000 0.340 96 Y C 0.131 176.155 175.900 0.205 0.000 0.972 96 Y CA -0.799 57.386 58.100 0.142 0.000 1.157 96 Y CB 0.298 38.803 38.460 0.074 0.000 1.157 96 Y HN 0.731 nan 8.280 nan 0.000 0.495 101 T N 0.843 115.445 114.554 0.080 0.000 2.927 101 T HA 0.658 5.008 4.350 -0.001 0.000 0.281 101 T C -2.484 172.268 174.700 0.087 0.000 0.998 101 T CA -1.427 60.717 62.100 0.073 0.000 1.019 101 T CB 1.207 70.118 68.868 0.072 0.000 1.061 101 T HN -0.058 nan 8.240 nan 0.000 0.518 102 P HA 0.413 nan 4.420 nan 0.000 0.274 102 P C -2.488 174.874 177.300 0.103 0.000 1.237 102 P CA -1.277 61.864 63.100 0.070 0.000 0.793 102 P CB -0.815 30.913 31.700 0.048 0.000 0.977 103 P HA 0.040 nan 4.420 nan 0.000 0.267 103 P C -1.043 176.345 177.300 0.146 0.000 1.201 103 P CA 0.251 63.440 63.100 0.150 0.000 0.775 103 P CB 0.210 31.973 31.700 0.104 0.000 0.854 104 V N 1.860 121.896 119.914 0.203 0.000 2.447 104 V HA 0.318 4.437 4.120 -0.001 0.000 0.292 104 V C -0.052 176.192 176.094 0.249 0.000 1.021 104 V CA -0.745 61.678 62.300 0.205 0.000 0.850 104 V CB 1.466 33.413 31.823 0.208 0.000 1.005 104 V HN 0.371 nan 8.190 nan 0.000 0.426 105 K N 3.214 123.710 120.400 0.160 0.000 2.248 105 K HA 0.772 5.091 4.320 -0.001 0.000 0.281 105 K C 0.009 176.690 176.600 0.135 0.000 1.054 105 K CA -0.153 56.203 56.287 0.116 0.000 0.903 105 K CB 1.859 34.398 32.500 0.065 0.000 1.077 105 K HN 0.880 nan 8.250 nan 0.000 0.474 106 A N 3.971 126.875 122.820 0.140 0.000 2.292 106 A HA 0.519 4.839 4.320 -0.001 0.000 0.319 106 A C -0.976 176.615 177.584 0.013 0.000 1.206 106 A CA -0.667 51.444 52.037 0.124 0.000 0.835 106 A CB 0.352 19.498 19.000 0.243 0.000 1.164 106 A HN 0.532 nan 8.150 nan 0.000 0.505 107 L N 1.725 122.948 121.223 -0.000 0.000 2.334 107 L HA 0.736 5.075 4.340 -0.001 0.000 0.272 107 L C -0.617 176.167 176.870 -0.144 0.000 1.020 107 L CA -0.472 54.303 54.840 -0.109 0.000 0.812 107 L CB 1.829 43.847 42.059 -0.068 0.000 1.264 107 L HN 0.674 nan 8.230 nan 0.000 0.439 108 L N 2.440 123.473 121.223 -0.316 0.000 2.528 108 L HA 0.487 4.826 4.340 -0.001 0.000 0.267 108 L C -1.814 174.816 176.870 -0.400 0.000 0.961 108 L CA -0.132 54.562 54.840 -0.243 0.000 0.866 108 L CB 1.193 43.168 42.059 -0.141 0.000 1.248 108 L HN 0.354 nan 8.230 nan 0.000 0.404 109 Y N 5.816 125.959 120.300 -0.262 0.000 2.367 109 Y HA 0.609 5.159 4.550 -0.001 0.000 0.342 109 Y C -0.359 175.468 175.900 -0.122 0.000 0.979 109 Y CA -0.680 57.288 58.100 -0.219 0.000 1.161 109 Y CB 1.118 39.380 38.460 -0.329 0.000 1.155 109 Y HN 0.354 nan 8.280 nan 0.000 0.503 110 L N 3.137 124.381 121.223 0.036 0.000 2.334 110 L HA 0.576 4.916 4.340 -0.001 0.000 0.275 110 L C 0.147 177.045 176.870 0.047 0.000 1.036 110 L CA -0.674 54.183 54.840 0.028 0.000 0.807 110 L CB 1.722 43.770 42.059 -0.019 0.000 1.231 110 L HN 0.545 nan 8.230 nan 0.000 0.438 111 T N 1.825 116.405 114.554 0.042 0.000 2.840 111 T HA 0.733 5.082 4.350 -0.001 0.000 0.287 111 T C -0.253 174.404 174.700 -0.071 0.000 0.991 111 T CA -0.539 61.569 62.100 0.013 0.000 0.964 111 T CB 1.643 70.563 68.868 0.087 0.000 0.954 111 T HN 0.684 nan 8.240 nan 0.000 0.438 112 A N 3.049 125.800 122.820 -0.116 0.000 2.292 112 A HA 0.824 5.143 4.320 -0.001 0.000 0.319 112 A C 0.171 177.589 177.584 -0.276 0.000 1.206 112 A CA -0.673 51.261 52.037 -0.172 0.000 0.835 112 A CB 0.377 19.301 19.000 -0.126 0.000 1.164 112 A HN 0.923 nan 8.150 nan 0.000 0.505 113 V N 0.096 119.794 119.914 -0.358 0.000 2.864 113 V HA 0.652 4.771 4.120 -0.001 0.000 0.314 113 V C -0.245 175.660 176.094 -0.316 0.000 1.073 113 V CA -0.867 61.174 62.300 -0.432 0.000 0.956 113 V CB 1.716 33.096 31.823 -0.738 0.000 1.023 113 V HN 0.905 nan 8.190 nan 0.000 0.435 114 E N 2.730 122.788 120.200 -0.237 0.000 2.167 114 E HA 0.466 4.815 4.350 -0.001 0.000 0.284 114 E C -1.353 175.167 176.600 -0.133 0.000 1.016 114 E CA -0.614 55.685 56.400 -0.168 0.000 0.817 114 E CB 1.137 30.781 29.700 -0.095 0.000 1.080 114 E HN 0.661 nan 8.360 nan 0.000 0.397 115 I N 4.242 124.718 120.570 -0.156 0.000 2.521 115 I HA 0.144 4.313 4.170 -0.001 0.000 0.277 115 I C -0.831 175.338 176.117 0.086 0.000 1.054 115 I CA -0.554 60.734 61.300 -0.021 0.000 1.117 115 I CB 0.835 38.784 38.000 -0.084 0.000 1.217 115 I HN 0.323 nan 8.210 nan 0.000 0.469 116 S N 5.869 121.632 115.700 0.106 0.000 2.733 116 S HA 0.579 5.049 4.470 -0.001 0.000 0.294 116 S C -0.852 173.811 174.600 0.105 0.000 1.149 116 S CA -0.702 57.565 58.200 0.111 0.000 1.034 116 S CB 2.352 65.584 63.200 0.053 0.000 1.015 116 S HN 0.374 nan 8.310 nan 0.000 0.486 117 L N 3.267 124.552 121.223 0.104 0.000 2.281 117 L HA 0.582 4.921 4.340 -0.001 0.000 0.285 117 L C -0.768 176.116 176.870 0.023 0.000 1.074 117 L CA 0.030 54.911 54.840 0.068 0.000 0.817 117 L CB -0.084 41.998 42.059 0.037 0.000 1.168 117 L HN 0.969 nan 8.230 nan 0.000 0.434 118 C N 4.277 123.591 119.300 0.024 0.000 2.456 118 C HA 0.979 5.439 4.460 -0.001 0.000 0.325 118 C C 0.416 175.395 174.990 -0.019 0.000 1.217 118 C CA -0.525 58.486 59.018 -0.013 0.000 1.687 118 C CB 0.603 28.338 27.740 -0.008 0.000 2.270 118 C HN 1.026 nan 8.230 nan 0.000 0.499 119 A N 0.866 123.645 122.820 -0.068 0.000 2.504 119 A HA 0.715 5.034 4.320 -0.001 0.000 0.285 119 A C -0.980 176.554 177.584 -0.084 0.000 1.261 119 A CA -0.189 51.809 52.037 -0.065 0.000 0.741 119 A CB 0.711 19.588 19.000 -0.204 0.000 1.327 119 A HN 0.705 nan 8.150 nan 0.000 0.441 120 D N 1.188 121.547 120.400 -0.069 0.000 2.713 120 D HA 0.137 4.776 4.640 -0.001 0.000 0.229 120 D C 1.312 177.514 176.300 -0.163 0.000 1.136 120 D CA -0.142 53.801 54.000 -0.095 0.000 1.010 120 D CB -0.556 40.205 40.800 -0.065 0.000 1.084 120 D HN 0.475 nan 8.370 nan 0.000 0.495 121 I N -0.584 119.874 120.570 -0.186 0.000 2.676 121 I HA -0.069 4.100 4.170 -0.001 0.000 0.259 121 I C 1.223 177.180 176.117 -0.267 0.000 1.194 121 I CA 0.913 62.065 61.300 -0.247 0.000 1.473 121 I CB -0.486 37.376 38.000 -0.230 0.000 1.096 121 I HN 0.134 nan 8.210 nan 0.000 0.443 122 T N -1.876 112.555 114.554 -0.205 0.000 3.251 122 T HA 0.347 4.697 4.350 -0.001 0.000 0.259 122 T C 0.716 175.301 174.700 -0.191 0.000 0.998 122 T CA -0.572 61.414 62.100 -0.189 0.000 0.905 122 T CB -0.281 68.512 68.868 -0.126 0.000 1.067 122 T HN 0.394 nan 8.240 nan 0.000 0.569 123 R N 0.415 120.755 120.500 -0.267 0.000 3.502 123 R HA -0.148 4.191 4.340 -0.001 0.000 0.266 123 R C 0.304 176.515 176.300 -0.148 0.000 1.077 123 R CA 1.189 57.077 56.100 -0.354 0.000 0.718 123 R CB -2.524 27.436 30.300 -0.567 0.000 1.120 123 R HN 0.775 nan 8.270 nan 0.000 0.457 137 R N 0.187 120.653 120.500 -0.056 0.000 2.690 137 R HA 0.323 4.662 4.340 -0.001 0.000 0.419 137 R C -0.319 175.961 176.300 -0.033 0.000 1.090 137 R CA -0.041 56.025 56.100 -0.058 0.000 1.064 137 R CB 1.465 31.734 30.300 -0.052 0.000 1.391 137 R HN -0.150 nan 8.270 nan 0.000 0.586 138 T N 0.034 114.572 114.554 -0.027 0.000 2.893 138 T HA 0.270 4.620 4.350 -0.001 0.000 0.291 138 T C -1.634 173.081 174.700 0.025 0.000 1.028 138 T CA -0.472 61.641 62.100 0.023 0.000 0.995 138 T CB 1.774 70.654 68.868 0.021 0.000 1.051 138 T HN 0.245 nan 8.240 nan 0.000 0.470 139 W N 3.727 124.977 121.300 -0.083 0.000 2.338 139 W HA 0.494 5.154 4.660 -0.000 0.000 0.307 139 W C 0.126 176.576 176.519 -0.116 0.000 1.167 139 W CA -0.311 56.954 57.345 -0.133 0.000 1.208 139 W CB 0.708 30.074 29.460 -0.157 0.000 1.228 139 W HN 0.643 nan 8.180 nan 0.000 0.499 140 T N 2.113 116.432 114.554 -0.393 0.000 2.861 140 T HA 0.400 4.749 4.350 -0.001 0.000 0.287 140 T C -0.768 173.651 174.700 -0.468 0.000 1.003 140 T CA -0.803 61.181 62.100 -0.193 0.000 0.977 140 T CB 0.636 69.441 68.868 -0.104 0.000 0.996 140 T HN 0.376 nan 8.240 nan 0.000 0.448 141 W N 1.674 123.019 121.300 0.074 0.000 2.158 141 W HA 0.512 5.170 4.660 -0.003 0.000 0.339 141 W C 1.200 177.716 176.519 -0.005 0.000 1.294 141 W CA 1.489 58.920 57.345 0.143 0.000 1.231 141 W CB 0.237 29.857 29.460 0.267 0.000 1.143 141 W HN 1.392 nan 8.180 nan 0.000 0.571 142 G N 2.120 111.071 108.800 0.252 0.000 2.406 142 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.680 142 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.680 142 G C -2.136 172.790 174.900 0.044 0.000 1.338 142 G CA -0.743 44.444 45.100 0.145 0.000 0.941 142 G HN 0.250 nan 8.290 nan 0.000 0.633 143 P HA 0.081 nan 4.420 nan 0.000 0.225 143 P C 1.183 178.461 177.300 -0.036 0.000 1.148 143 P CA 1.380 64.465 63.100 -0.025 0.000 0.779 143 P CB 0.139 31.816 31.700 -0.038 0.000 0.780 144 C N -1.239 118.039 119.300 -0.037 0.000 3.125 144 C HA 0.486 4.945 4.460 -0.001 0.000 0.284 144 C C 1.560 176.498 174.990 -0.087 0.000 1.386 144 C CA -0.260 58.726 59.018 -0.054 0.000 1.763 144 C CB -0.456 27.264 27.740 -0.034 0.000 2.377 144 C HN 0.188 nan 8.230 nan 0.000 0.620 145 G N 0.040 108.765 108.800 -0.125 0.000 2.532 145 G HA2 0.567 4.526 3.960 -0.001 0.000 0.291 145 G HA3 0.567 4.526 3.960 -0.001 0.000 0.291 145 G C -1.069 173.636 174.900 -0.326 0.000 1.349 145 G CA 0.016 44.984 45.100 -0.219 0.000 1.038 145 G HN 0.394 nan 8.290 nan 0.000 0.518 146 Q N -1.992 117.517 119.800 -0.484 0.000 2.391 146 Q HA 0.534 4.873 4.340 -0.001 0.000 0.279 146 Q C -0.861 174.661 176.000 -0.796 0.000 1.028 146 Q CA -0.323 55.179 55.803 -0.501 0.000 0.836 146 Q CB 2.294 30.843 28.738 -0.315 0.000 1.414 146 Q HN 1.516 nan 8.270 nan 0.000 0.397 147 G N 0.964 109.342 108.800 -0.702 0.000 2.621 147 G HA2 0.396 4.355 3.960 -0.001 0.000 0.355 147 G HA3 0.396 4.355 3.960 -0.001 0.000 0.355 147 G C -0.974 173.719 174.900 -0.344 0.000 1.509 147 G CA -0.371 44.297 45.100 -0.720 0.000 1.000 147 G HN 0.730 nan 8.290 nan 0.000 0.646 148 A N 1.516 124.236 122.820 -0.167 0.000 2.366 148 A HA 0.810 5.129 4.320 -0.001 0.000 0.250 148 A C 0.439 178.184 177.584 0.267 0.000 1.099 148 A CA 0.128 52.132 52.037 -0.055 0.000 0.794 148 A CB 0.390 19.276 19.000 -0.190 0.000 1.056 148 A HN 1.207 nan 8.150 nan 0.000 0.499 149 I N -0.008 120.711 120.570 0.248 0.000 2.608 149 I HA 0.411 4.580 4.170 -0.001 0.000 0.295 149 I C -0.742 175.586 176.117 0.353 0.000 1.049 149 I CA -0.189 61.283 61.300 0.286 0.000 1.063 149 I CB 1.819 39.864 38.000 0.076 0.000 1.248 149 I HN 0.470 nan 8.210 nan 0.000 0.424 150 L N 6.478 127.869 121.223 0.280 0.000 2.385 150 L HA 0.564 4.903 4.340 -0.001 0.000 0.273 150 L C -1.042 175.898 176.870 0.117 0.000 0.990 150 L CA -0.704 54.224 54.840 0.146 0.000 0.821 150 L CB 1.942 44.012 42.059 0.019 0.000 1.279 150 L HN 0.440 nan 8.230 nan 0.000 0.412 151 L N 3.954 125.244 121.223 0.112 0.000 2.325 151 L HA 0.429 4.769 4.340 -0.001 0.000 0.279 151 L C -0.128 176.710 176.870 -0.053 0.000 1.054 151 L CA -0.944 53.919 54.840 0.037 0.000 0.804 151 L CB 1.896 44.004 42.059 0.082 0.000 1.200 151 L HN 0.260 nan 8.230 nan 0.000 0.436 152 V N 2.053 121.839 119.914 -0.212 0.000 2.585 152 V HA -0.071 4.048 4.120 -0.001 0.000 0.296 152 V C 0.666 176.710 176.094 -0.084 0.000 1.035 152 V CA -0.054 62.094 62.300 -0.253 0.000 1.084 152 V CB 0.719 32.151 31.823 -0.652 0.000 0.953 152 V HN 0.659 nan 8.190 nan 0.000 0.483 153 N N 3.191 121.882 118.700 -0.014 0.000 3.259 153 N HA 0.086 4.826 4.740 -0.001 0.000 0.308 153 N C 0.783 176.337 175.510 0.074 0.000 1.334 153 N CA -0.151 52.926 53.050 0.044 0.000 1.202 153 N CB -0.258 38.263 38.487 0.056 0.000 1.485 153 N HN 0.868 nan 8.380 nan 0.000 0.549 154 C N -1.042 118.322 119.300 0.107 0.000 2.625 154 C HA 0.284 4.743 4.460 -0.001 0.000 0.285 154 C C 0.622 175.743 174.990 0.219 0.000 1.279 154 C CA -1.019 58.110 59.018 0.185 0.000 1.698 154 C CB -1.599 26.310 27.740 0.281 0.000 1.821 154 C HN 0.477 nan 8.230 nan 0.000 0.600 155 D N 0.707 121.210 120.400 0.172 0.000 2.487 155 D HA 0.233 4.872 4.640 -0.001 0.000 0.262 155 D C -0.397 175.969 176.300 0.111 0.000 1.130 155 D CA -0.699 53.404 54.000 0.171 0.000 1.038 155 D CB 0.692 41.594 40.800 0.169 0.000 1.142 155 D HN 0.390 nan 8.370 nan 0.000 0.575 156 R N 0.289 120.848 120.500 0.098 0.000 2.494 156 R HA 0.163 4.502 4.340 -0.001 0.000 0.284 156 R C -0.536 175.792 176.300 0.045 0.000 1.525 156 R CA -0.465 55.667 56.100 0.052 0.000 1.460 156 R CB 0.218 30.533 30.300 0.026 0.000 1.134 156 R HN 0.295 nan 8.270 nan 0.000 0.592 157 D N 0.625 121.046 120.400 0.036 0.000 2.312 157 D HA -0.124 4.515 4.640 -0.001 0.000 0.211 157 D C 0.101 176.403 176.300 0.004 0.000 0.964 157 D CA 0.730 54.743 54.000 0.022 0.000 0.877 157 D CB 0.230 41.036 40.800 0.010 0.000 0.924 157 D HN 0.536 nan 8.370 nan 0.000 0.515 158 N N 1.302 120.000 118.700 -0.003 0.000 2.468 158 N HA -0.032 4.708 4.740 -0.001 0.000 0.265 158 N C 1.421 176.925 175.510 -0.010 0.000 1.199 158 N CA -0.365 52.677 53.050 -0.013 0.000 0.928 158 N CB 0.940 39.417 38.487 -0.017 0.000 1.059 158 N HN -0.079 nan 8.380 nan 0.000 0.467 159 L N 3.310 124.526 121.223 -0.012 0.000 2.553 159 L HA -0.351 3.989 4.340 -0.001 0.000 0.245 159 L C 1.120 177.985 176.870 -0.009 0.000 1.547 159 L CA 1.979 56.813 54.840 -0.010 0.000 0.787 159 L CB -0.476 41.575 42.059 -0.013 0.000 1.226 159 L HN 0.729 nan 8.230 nan 0.000 0.399 160 E N -1.561 118.632 120.200 -0.012 0.000 2.810 160 E HA 0.214 4.563 4.350 -0.001 0.000 0.214 160 E C 0.090 176.679 176.600 -0.018 0.000 0.980 160 E CA -0.086 56.306 56.400 -0.013 0.000 1.159 160 E CB 1.057 30.750 29.700 -0.011 0.000 1.047 160 E HN 0.335 nan 8.360 nan 0.000 0.484 161 S N 1.230 116.918 115.700 -0.020 0.000 2.632 161 S HA 0.217 4.687 4.470 -0.001 0.000 0.267 161 S C 1.010 175.589 174.600 -0.034 0.000 1.193 161 S CA 0.246 58.431 58.200 -0.025 0.000 1.003 161 S CB 0.764 63.950 63.200 -0.022 0.000 1.073 161 S HN 0.263 nan 8.310 nan 0.000 0.553 162 S N -0.566 115.108 115.700 -0.043 0.000 2.960 162 S HA 0.577 5.046 4.470 -0.001 0.000 0.256 162 S C -0.245 174.308 174.600 -0.078 0.000 1.017 162 S CA -0.191 57.970 58.200 -0.065 0.000 1.144 162 S CB 0.177 63.335 63.200 -0.070 0.000 1.109 162 S HN 0.795 nan 8.310 nan 0.000 0.638 163 A N 2.115 124.903 122.820 -0.052 0.000 2.324 163 A HA 0.783 5.102 4.320 -0.001 0.000 0.330 163 A C 0.160 177.731 177.584 -0.022 0.000 1.165 163 A CA -0.779 51.232 52.037 -0.044 0.000 0.813 163 A CB 0.512 19.496 19.000 -0.027 0.000 1.197 163 A HN 0.504 nan 8.150 nan 0.000 0.484 164 M N 1.609 121.205 119.600 -0.006 0.000 2.235 164 M HA -0.060 4.419 4.480 -0.001 0.000 0.336 164 M C 0.390 176.711 176.300 0.034 0.000 1.146 164 M CA 0.038 55.362 55.300 0.040 0.000 1.018 164 M CB 0.159 32.809 32.600 0.084 0.000 1.694 164 M HN 0.768 nan 8.290 nan 0.000 0.451 165 D N 1.680 122.105 120.400 0.041 0.000 2.123 165 D HA -0.138 4.501 4.640 -0.001 0.000 0.196 165 D C 1.821 178.145 176.300 0.039 0.000 0.992 165 D CA 1.536 55.553 54.000 0.028 0.000 0.833 165 D CB -0.398 40.416 40.800 0.023 0.000 0.954 165 D HN 0.870 nan 8.370 nan 0.000 0.455 166 C N 1.114 120.444 119.300 0.051 0.000 2.539 166 C HA 0.128 4.587 4.460 -0.001 0.000 0.271 166 C C 1.526 176.537 174.990 0.035 0.000 1.412 166 C CA -0.411 58.640 59.018 0.055 0.000 1.729 166 C CB -1.342 26.425 27.740 0.045 0.000 1.739 166 C HN 0.269 nan 8.230 nan 0.000 0.570 167 E N 1.954 122.171 120.200 0.028 0.000 2.403 167 E HA 0.151 4.500 4.350 -0.001 0.000 0.187 167 E C -0.272 176.331 176.600 0.004 0.000 1.073 167 E CA 0.130 56.538 56.400 0.012 0.000 0.888 167 E CB -0.209 29.497 29.700 0.011 0.000 1.035 167 E HN 0.897 nan 8.360 nan 0.000 0.471 168 D N 0.332 120.741 120.400 0.016 0.000 2.592 168 D HA 0.080 4.719 4.640 -0.001 0.000 0.263 168 D C -0.736 175.582 176.300 0.030 0.000 1.132 168 D CA -1.045 52.961 54.000 0.010 0.000 0.996 168 D CB 0.623 41.429 40.800 0.011 0.000 1.442 168 D HN -0.072 nan 8.370 nan 0.000 0.486 169 D N -1.461 118.943 120.400 0.007 0.000 2.722 169 D HA 0.312 4.952 4.640 -0.001 0.000 0.239 169 D C -0.639 175.761 176.300 0.167 0.000 1.249 169 D CA -0.390 53.612 54.000 0.004 0.000 0.830 169 D CB 0.068 40.767 40.800 -0.169 0.000 1.025 169 D HN 0.312 nan 8.370 nan 0.000 0.486 170 E N -0.090 120.238 120.200 0.213 0.000 2.317 170 E HA 0.392 4.741 4.350 -0.001 0.000 0.270 170 E C -1.033 175.524 176.600 -0.072 0.000 0.885 170 E CA -1.335 55.144 56.400 0.132 0.000 0.760 170 E CB 2.832 32.548 29.700 0.026 0.000 1.227 170 E HN 0.096 nan 8.360 nan 0.000 0.434 171 V N 2.172 121.864 119.914 -0.370 0.000 2.318 171 V HA 0.345 4.464 4.120 -0.001 0.000 0.271 171 V C 0.028 175.973 176.094 -0.249 0.000 1.030 171 V CA -0.152 61.865 62.300 -0.471 0.000 0.844 171 V CB 0.285 31.633 31.823 -0.792 0.000 1.015 171 V HN 0.776 nan 8.190 nan 0.000 0.460 172 L N 3.171 124.298 121.223 -0.161 0.000 2.416 172 L HA 0.430 4.770 4.340 -0.001 0.000 0.216 172 L C 0.150 176.962 176.870 -0.097 0.000 1.098 172 L CA 0.683 55.461 54.840 -0.103 0.000 0.840 172 L CB 0.093 42.113 42.059 -0.065 0.000 0.981 172 L HN 0.711 nan 8.230 nan 0.000 0.462 173 D N -2.607 117.725 120.400 -0.114 0.000 2.671 173 D HA 0.228 4.867 4.640 -0.001 0.000 0.232 173 D C 0.528 176.753 176.300 -0.125 0.000 1.114 173 D CA -0.402 53.541 54.000 -0.095 0.000 0.858 173 D CB 1.829 42.589 40.800 -0.066 0.000 1.544 173 D HN -0.276 nan 8.370 nan 0.000 0.471 174 S N 0.619 116.254 115.700 -0.108 0.000 2.399 174 S HA -0.154 4.315 4.470 -0.001 0.000 0.231 174 S C 1.387 175.917 174.600 -0.117 0.000 1.022 174 S CA 1.060 59.185 58.200 -0.126 0.000 0.983 174 S CB -0.125 63.020 63.200 -0.091 0.000 0.803 174 S HN 0.469 nan 8.310 nan 0.000 0.480 175 E N 1.345 121.498 120.200 -0.078 0.000 2.204 175 E HA -0.093 4.256 4.350 -0.001 0.000 0.194 175 E C 1.600 178.170 176.600 -0.050 0.000 0.989 175 E CA 0.741 57.111 56.400 -0.049 0.000 0.824 175 E CB -0.293 29.392 29.700 -0.024 0.000 0.756 175 E HN 0.367 nan 8.360 nan 0.000 0.477 176 D N 0.226 120.579 120.400 -0.079 0.000 2.149 176 D HA -0.133 4.506 4.640 -0.001 0.000 0.198 176 D C 1.533 177.778 176.300 -0.092 0.000 0.990 176 D CA 0.771 54.723 54.000 -0.080 0.000 0.839 176 D CB -0.022 40.702 40.800 -0.125 0.000 0.948 176 D HN 0.166 nan 8.370 nan 0.000 0.460 177 L N -0.096 121.025 121.223 -0.170 0.000 2.353 177 L HA -0.147 4.192 4.340 -0.001 0.000 0.220 177 L C 2.342 179.191 176.870 -0.035 0.000 1.133 177 L CA 0.802 55.507 54.840 -0.225 0.000 0.798 177 L CB -0.397 41.373 42.059 -0.481 0.000 0.922 177 L HN 0.156 nan 8.230 nan 0.000 0.445 178 Q N -0.340 119.469 119.800 0.015 0.000 2.230 178 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 178 Q C 1.416 177.541 176.000 0.208 0.000 0.963 178 Q CA 1.080 56.949 55.803 0.110 0.000 0.866 178 Q CB 0.079 28.862 28.738 0.074 0.000 0.931 178 Q HN 0.468 nan 8.270 nan 0.000 0.452 179 D N -0.294 120.196 120.400 0.149 0.000 2.277 179 D HA -0.006 4.634 4.640 -0.001 0.000 0.208 179 D C 0.642 177.108 176.300 0.277 0.000 0.962 179 D CA 0.784 54.888 54.000 0.175 0.000 0.865 179 D CB 0.196 41.058 40.800 0.103 0.000 0.939 179 D HN 0.249 nan 8.370 nan 0.000 0.510 180 M N 0.073 119.807 119.600 0.223 0.000 2.283 180 M HA 0.223 4.703 4.480 -0.001 0.000 0.314 180 M C 0.294 176.631 176.300 0.060 0.000 1.153 180 M CA -0.149 55.268 55.300 0.194 0.000 1.084 180 M CB 1.301 34.022 32.600 0.201 0.000 1.468 180 M HN -0.352 nan 8.290 nan 0.000 0.474 181 S N 1.654 117.318 115.700 -0.060 0.000 2.462 181 S HA 0.486 4.955 4.470 -0.001 0.000 0.294 181 S C -0.736 173.779 174.600 -0.141 0.000 1.144 181 S CA -0.774 57.264 58.200 -0.270 0.000 1.088 181 S CB 1.146 64.248 63.200 -0.163 0.000 1.009 181 S HN 0.469 nan 8.310 nan 0.000 0.484 182 L N 4.333 125.447 121.223 -0.181 0.000 2.331 182 L HA 0.578 4.917 4.340 -0.001 0.000 0.278 182 L C -0.412 176.415 176.870 -0.071 0.000 1.106 182 L CA 0.309 54.999 54.840 -0.250 0.000 0.824 182 L CB 0.591 42.505 42.059 -0.242 0.000 1.142 182 L HN 0.770 nan 8.230 nan 0.000 0.443 183 M N 4.136 123.719 119.600 -0.030 0.000 2.464 183 M HA 0.523 5.002 4.480 -0.001 0.000 0.308 183 M C -1.202 175.191 176.300 0.154 0.000 1.127 183 M CA -0.201 55.169 55.300 0.117 0.000 0.913 183 M CB 2.143 34.870 32.600 0.212 0.000 1.689 183 M HN 0.607 nan 8.290 nan 0.000 0.445 184 T N 4.612 119.248 114.554 0.137 0.000 2.937 184 T HA 0.442 4.791 4.350 -0.001 0.000 0.297 184 T C -1.321 173.469 174.700 0.149 0.000 0.991 184 T CA -0.561 61.603 62.100 0.107 0.000 0.990 184 T CB 1.217 70.088 68.868 0.006 0.000 0.991 184 T HN 0.623 nan 8.240 nan 0.000 0.440 185 L N 3.016 124.371 121.223 0.220 0.000 2.292 185 L HA 0.641 4.980 4.340 -0.001 0.000 0.284 185 L C -0.234 176.707 176.870 0.118 0.000 1.065 185 L CA -0.223 54.741 54.840 0.206 0.000 0.806 185 L CB 1.362 43.619 42.059 0.330 0.000 1.175 185 L HN 0.571 nan 8.230 nan 0.000 0.431 186 S N 1.835 117.597 115.700 0.103 0.000 2.519 186 S HA 0.648 5.117 4.470 -0.001 0.000 0.309 186 S C -0.473 174.188 174.600 0.100 0.000 1.100 186 S CA -0.550 57.693 58.200 0.071 0.000 1.059 186 S CB 1.842 65.064 63.200 0.035 0.000 1.008 186 S HN 0.732 nan 8.310 nan 0.000 0.478 187 T N 0.572 115.202 114.554 0.127 0.000 2.900 187 T HA 0.693 5.043 4.350 -0.001 0.000 0.295 187 T C -1.061 173.693 174.700 0.090 0.000 1.044 187 T CA -0.941 61.240 62.100 0.135 0.000 0.995 187 T CB 1.750 70.785 68.868 0.280 0.000 1.072 187 T HN 0.409 nan 8.240 nan 0.000 0.473 188 K N 1.911 122.314 120.400 0.006 0.000 2.668 188 K HA 0.565 4.885 4.320 -0.001 0.000 0.246 188 K C -1.063 175.456 176.600 -0.134 0.000 0.976 188 K CA -0.433 55.834 56.287 -0.033 0.000 0.902 188 K CB 1.277 33.748 32.500 -0.048 0.000 1.172 188 K HN 1.061 nan 8.250 nan 0.000 0.452 189 T N 0.147 114.629 114.554 -0.120 0.000 2.843 189 T HA 0.567 4.916 4.350 -0.001 0.000 0.302 189 T C -2.981 171.650 174.700 -0.115 0.000 1.232 189 T CA -2.158 59.781 62.100 -0.269 0.000 1.009 189 T CB 1.706 70.275 68.868 -0.499 0.000 1.254 189 T HN 0.153 nan 8.240 nan 0.000 0.504 190 P HA 0.239 nan 4.420 nan 0.000 0.269 190 P C 0.571 177.901 177.300 0.051 0.000 1.209 190 P CA -0.333 62.766 63.100 -0.002 0.000 0.776 190 P CB 0.595 32.311 31.700 0.027 0.000 0.876 191 K N 1.316 121.750 120.400 0.058 0.000 2.242 191 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 191 K C 1.021 177.682 176.600 0.101 0.000 1.045 191 K CA 1.944 58.279 56.287 0.079 0.000 0.930 191 K CB -0.274 32.260 32.500 0.057 0.000 0.726 191 K HN 0.654 nan 8.250 nan 0.000 0.462 192 D N -0.953 119.503 120.400 0.093 0.000 2.431 192 D HA -0.048 4.591 4.640 -0.001 0.000 0.213 192 D C 1.327 177.678 176.300 0.086 0.000 1.130 192 D CA -0.320 53.731 54.000 0.085 0.000 0.834 192 D CB -0.317 40.514 40.800 0.052 0.000 0.985 192 D HN 0.113 nan 8.370 nan 0.000 0.504 193 F N 1.042 120.932 119.950 -0.100 0.000 2.154 193 F HA -0.087 4.440 4.527 -0.001 0.000 0.301 193 F C 1.138 176.833 175.800 -0.175 0.000 1.087 193 F CA 1.398 59.273 58.000 -0.209 0.000 1.274 193 F CB -0.144 38.568 39.000 -0.480 0.000 1.009 193 F HN -0.173 nan 8.300 nan 0.000 0.485 194 F N -0.725 119.291 119.950 0.110 0.000 2.731 194 F HA 0.026 4.552 4.527 -0.002 0.000 0.304 194 F C 2.018 177.785 175.800 -0.055 0.000 1.133 194 F CA 0.228 58.241 58.000 0.021 0.000 1.380 194 F CB -0.599 38.461 39.000 0.099 0.000 1.079 194 F HN -0.193 nan 8.300 nan 0.000 0.550 195 T N 0.037 114.616 114.554 0.043 0.000 2.788 195 T HA -0.174 4.176 4.350 -0.001 0.000 0.268 195 T C 1.258 175.884 174.700 -0.123 0.000 1.044 195 T CA 1.649 63.730 62.100 -0.031 0.000 1.139 195 T CB -0.229 68.617 68.868 -0.038 0.000 0.867 195 T HN 0.325 nan 8.240 nan 0.000 0.454 196 N N -0.369 118.184 118.700 -0.245 0.000 2.170 196 N HA 0.113 4.852 4.740 -0.001 0.000 0.222 196 N C -0.539 174.498 175.510 -0.789 0.000 1.218 196 N CA -0.157 52.631 53.050 -0.436 0.000 0.889 196 N CB 0.777 38.991 38.487 -0.455 0.000 1.083 196 N HN 0.340 nan 8.380 nan 0.000 0.520 197 H N -0.243 118.625 119.070 -0.338 0.000 2.768 197 H HA 0.448 5.004 4.556 -0.001 0.000 0.371 197 H C -0.536 174.874 175.328 0.137 0.000 1.151 197 H CA -0.503 55.418 56.048 -0.211 0.000 1.165 197 H CB 1.986 31.398 29.762 -0.584 0.000 1.722 197 H HN -0.011 nan 8.280 nan 0.000 0.543 198 T N 0.650 115.361 114.554 0.262 0.000 2.876 198 T HA 0.533 4.882 4.350 -0.001 0.000 0.289 198 T C -0.049 174.858 174.700 0.344 0.000 1.014 198 T CA -0.945 61.323 62.100 0.279 0.000 0.986 198 T CB 1.517 70.435 68.868 0.083 0.000 1.021 198 T HN 0.254 nan 8.240 nan 0.000 0.458 199 L N 2.419 123.841 121.223 0.333 0.000 2.312 199 L HA 0.733 5.072 4.340 -0.001 0.000 0.281 199 L C -0.173 176.869 176.870 0.287 0.000 1.070 199 L CA -1.090 53.940 54.840 0.317 0.000 0.805 199 L CB 1.581 43.815 42.059 0.291 0.000 1.174 199 L HN 0.559 nan 8.230 nan 0.000 0.434 200 V N 5.568 125.631 119.914 0.248 0.000 2.588 200 V HA 0.435 4.554 4.120 -0.001 0.000 0.304 200 V C -0.674 175.556 176.094 0.228 0.000 1.042 200 V CA -0.556 61.850 62.300 0.177 0.000 0.877 200 V CB 2.022 33.837 31.823 -0.014 0.000 0.996 200 V HN 0.573 nan 8.190 nan 0.000 0.425 201 L N 7.888 129.221 121.223 0.183 0.000 2.334 201 L HA 0.735 5.074 4.340 -0.001 0.000 0.277 201 L C -0.645 176.333 176.870 0.180 0.000 1.075 201 L CA -0.201 54.706 54.840 0.112 0.000 0.804 201 L CB 1.071 43.100 42.059 -0.050 0.000 1.174 201 L HN 0.989 nan 8.230 nan 0.000 0.438 202 H N 2.495 121.537 119.070 -0.046 0.000 2.981 202 H HA 0.634 5.190 4.556 -0.001 0.000 0.327 202 H C -1.749 173.561 175.328 -0.029 0.000 1.342 202 H CA -0.816 55.210 56.048 -0.036 0.000 1.123 202 H CB 1.558 31.294 29.762 -0.043 0.000 1.851 202 H HN 0.277 nan 8.280 nan 0.000 0.531 203 V N 0.145 120.080 119.914 0.035 0.000 2.925 203 V HA 0.661 4.780 4.120 -0.001 0.000 0.311 203 V C 0.795 176.916 176.094 0.045 0.000 1.104 203 V CA -0.696 61.599 62.300 -0.007 0.000 0.954 203 V CB 1.368 33.187 31.823 -0.008 0.000 1.022 203 V HN 1.172 nan 8.190 nan 0.000 0.427 204 A N 2.505 125.346 122.820 0.034 0.000 2.547 204 A HA 0.215 4.534 4.320 -0.001 0.000 0.233 204 A C 1.354 178.954 177.584 0.027 0.000 1.067 204 A CA 0.249 52.311 52.037 0.042 0.000 0.763 204 A CB -0.109 18.911 19.000 0.035 0.000 1.007 204 A HN 0.929 nan 8.150 nan 0.000 0.506 205 R N 0.889 121.404 120.500 0.025 0.000 2.127 205 R HA -0.157 4.183 4.340 -0.001 0.000 0.238 205 R C 2.355 178.655 176.300 -0.001 0.000 1.134 205 R CA 1.769 57.876 56.100 0.013 0.000 0.975 205 R CB -0.299 30.008 30.300 0.012 0.000 0.865 205 R HN 0.950 nan 8.270 nan 0.000 0.447 206 S N 0.159 115.861 115.700 0.003 0.000 2.474 206 S HA -0.091 4.378 4.470 -0.001 0.000 0.235 206 S C 1.354 175.934 174.600 -0.034 0.000 0.997 206 S CA 0.935 59.132 58.200 -0.006 0.000 0.949 206 S CB 0.121 63.330 63.200 0.015 0.000 0.766 206 S HN 0.375 nan 8.310 nan 0.000 0.517 207 E N 0.595 120.775 120.200 -0.033 0.000 2.526 207 E HA 0.235 4.584 4.350 -0.001 0.000 0.208 207 E C 1.782 178.328 176.600 -0.090 0.000 0.997 207 E CA 0.183 56.539 56.400 -0.073 0.000 0.961 207 E CB 0.093 29.787 29.700 -0.011 0.000 1.030 207 E HN 0.782 nan 8.360 nan 0.000 0.483 208 M N 0.868 120.433 119.600 -0.058 0.000 2.229 208 M HA -0.083 4.396 4.480 -0.001 0.000 0.264 208 M C 1.466 177.717 176.300 -0.082 0.000 1.063 208 M CA 1.469 56.737 55.300 -0.053 0.000 1.114 208 M CB -0.499 32.093 32.600 -0.013 0.000 1.387 208 M HN -0.111 nan 8.290 nan 0.000 0.420 209 D N 1.328 121.672 120.400 -0.093 0.000 2.384 209 D HA -0.166 4.473 4.640 -0.001 0.000 0.222 209 D C 0.932 177.139 176.300 -0.154 0.000 0.976 209 D CA 1.041 54.977 54.000 -0.107 0.000 0.915 209 D CB -0.319 40.425 40.800 -0.093 0.000 0.896 209 D HN 0.539 nan 8.370 nan 0.000 0.523 210 K N -0.395 119.884 120.400 -0.202 0.000 2.413 210 K HA 0.308 4.628 4.320 -0.001 0.000 0.204 210 K C -0.332 176.172 176.600 -0.159 0.000 1.041 210 K CA -0.217 55.914 56.287 -0.259 0.000 1.082 210 K CB 2.086 34.250 32.500 -0.559 0.000 0.871 210 K HN -0.028 nan 8.250 nan 0.000 0.535 211 V N 0.285 120.123 119.914 -0.127 0.000 3.120 211 V HA 0.492 4.611 4.120 -0.001 0.000 0.303 211 V C -1.931 174.082 176.094 -0.135 0.000 1.238 211 V CA -0.895 61.337 62.300 -0.114 0.000 1.008 211 V CB 2.314 34.076 31.823 -0.101 0.000 1.064 211 V HN 0.140 nan 8.190 nan 0.000 0.434 212 R N 2.960 123.369 120.500 -0.152 0.000 2.651 212 R HA 0.848 5.187 4.340 -0.001 0.000 0.278 212 R C -2.337 173.793 176.300 -0.284 0.000 1.010 212 R CA -0.442 55.504 56.100 -0.257 0.000 0.896 212 R CB 2.425 32.547 30.300 -0.296 0.000 1.211 212 R HN 0.569 nan 8.270 nan 0.000 0.456 213 V N 4.721 124.398 119.914 -0.394 0.000 2.483 213 V HA 0.527 4.646 4.120 -0.001 0.000 0.297 213 V C -1.050 174.870 176.094 -0.291 0.000 1.027 213 V CA -0.614 61.561 62.300 -0.209 0.000 0.855 213 V CB 1.538 33.280 31.823 -0.135 0.000 0.995 213 V HN 0.575 nan 8.190 nan 0.000 0.424 214 F N 2.396 122.429 119.950 0.138 0.000 2.492 214 F HA 0.593 5.119 4.527 -0.001 0.000 0.327 214 F C 0.303 176.246 175.800 0.237 0.000 1.079 214 F CA -0.472 57.612 58.000 0.139 0.000 0.967 214 F CB 1.706 40.769 39.000 0.104 0.000 1.169 214 F HN 0.401 nan 8.300 nan 0.000 0.472 215 Q N 1.982 121.972 119.800 0.316 0.000 2.282 215 Q HA 0.773 5.112 4.340 -0.001 0.000 0.260 215 Q C -1.363 174.681 176.000 0.073 0.000 0.964 215 Q CA -0.822 55.024 55.803 0.071 0.000 0.880 215 Q CB 1.847 30.611 28.738 0.044 0.000 1.286 215 Q HN 0.854 nan 8.270 nan 0.000 0.445 216 A N 2.863 125.681 122.820 -0.004 0.000 2.337 216 A HA 0.712 5.031 4.320 -0.001 0.000 0.331 216 A C -0.296 177.281 177.584 -0.012 0.000 1.137 216 A CA -0.547 51.522 52.037 0.053 0.000 0.807 216 A CB 1.556 20.674 19.000 0.198 0.000 1.250 216 A HN 0.799 nan 8.150 nan 0.000 0.468 226 S N 1.606 117.428 115.700 0.203 0.000 2.548 226 S HA 0.849 5.319 4.470 -0.001 0.000 0.286 226 S C -0.373 174.332 174.600 0.176 0.000 1.098 226 S CA -0.762 57.565 58.200 0.211 0.000 0.930 226 S CB 1.250 64.517 63.200 0.112 0.000 1.070 226 S HN 1.728 nan 8.310 nan 0.000 0.480 227 V N 1.485 121.392 119.914 -0.012 0.000 2.694 227 V HA 0.356 4.475 4.120 -0.001 0.000 0.306 227 V C 1.203 177.112 176.094 -0.308 0.000 1.054 227 V CA 0.367 62.436 62.300 -0.385 0.000 1.161 227 V CB 0.027 31.484 31.823 -0.610 0.000 0.916 227 V HN 1.344 nan 8.190 nan 0.000 0.490 228 V N 1.765 121.521 119.914 -0.264 0.000 3.371 228 V HA 0.482 4.601 4.120 -0.001 0.000 0.246 228 V C 0.457 176.583 176.094 0.054 0.000 1.303 228 V CA 0.037 62.216 62.300 -0.202 0.000 1.156 228 V CB -0.299 31.388 31.823 -0.226 0.000 0.929 228 V HN 0.674 nan 8.190 nan 0.000 0.459 229 L N 0.625 121.795 121.223 -0.089 0.000 2.388 229 L HA 0.968 5.307 4.340 -0.001 0.000 0.264 229 L C 0.057 176.825 176.870 -0.170 0.000 0.998 229 L CA 0.046 54.865 54.840 -0.034 0.000 0.817 229 L CB 1.979 44.015 42.059 -0.038 0.000 1.338 229 L HN 0.402 nan 8.230 nan 0.000 0.414 230 G N 0.843 109.583 108.800 -0.099 0.000 2.321 230 G HA2 0.251 4.211 3.960 -0.001 0.000 0.296 230 G HA3 0.251 4.211 3.960 -0.001 0.000 0.296 230 G C -2.904 171.947 174.900 -0.082 0.000 1.287 230 G CA -0.462 44.545 45.100 -0.155 0.000 0.846 230 G HN 0.293 nan 8.290 nan 0.000 0.508 231 P HA -0.087 nan 4.420 nan 0.000 0.217 231 P C 1.607 178.901 177.300 -0.011 0.000 1.151 231 P CA 1.706 64.773 63.100 -0.055 0.000 0.849 231 P CB 0.135 31.794 31.700 -0.069 0.000 0.787 232 K N -2.627 117.757 120.400 -0.027 0.000 2.044 232 K HA -0.057 4.262 4.320 -0.001 0.000 0.204 232 K C 0.214 177.020 176.600 0.343 0.000 1.049 232 K CA 0.776 57.121 56.287 0.096 0.000 0.945 232 K CB -0.112 32.386 32.500 -0.002 0.000 0.724 232 K HN 0.158 nan 8.250 nan 0.000 0.440 233 W N 2.148 123.428 121.300 -0.034 0.000 2.362 233 W HA 0.265 4.924 4.660 -0.002 0.000 0.316 233 W C -2.199 174.303 176.519 -0.027 0.000 1.024 233 W CA -2.857 54.477 57.345 -0.018 0.000 1.270 233 W CB 0.850 30.314 29.460 0.007 0.000 1.273 233 W HN -0.048 nan 8.180 nan 0.000 0.424 234 P HA -0.024 nan 4.420 nan 0.000 0.240 234 P C 0.143 177.503 177.300 0.100 0.000 1.190 234 P CA 0.752 63.911 63.100 0.100 0.000 0.781 234 P CB 0.900 32.634 31.700 0.057 0.000 0.931 235 S N -1.442 114.304 115.700 0.078 0.000 2.547 235 S HA 0.510 4.979 4.470 -0.001 0.000 0.270 235 S C -1.444 173.157 174.600 0.001 0.000 1.150 235 S CA -0.729 57.490 58.200 0.031 0.000 0.850 235 S CB 2.076 65.215 63.200 -0.103 0.000 1.118 235 S HN 0.126 nan 8.310 nan 0.000 0.461 236 H N 0.367 119.357 119.070 -0.133 0.000 3.086 236 H HA 0.289 4.844 4.556 -0.001 0.000 0.353 236 H C -1.929 173.353 175.328 -0.077 0.000 1.134 236 H CA -0.380 55.601 56.048 -0.112 0.000 1.248 236 H CB 1.393 31.212 29.762 0.096 0.000 1.878 236 H HN 0.799 nan 8.280 nan 0.000 0.527 237 Y N 4.130 124.301 120.300 -0.215 0.000 2.336 237 Y HA 0.193 4.742 4.550 -0.001 0.000 0.335 237 Y C 0.518 176.457 175.900 0.065 0.000 1.046 237 Y CA -0.539 57.517 58.100 -0.074 0.000 1.198 237 Y CB 0.914 39.277 38.460 -0.162 0.000 1.182 237 Y HN 0.271 nan 8.280 nan 0.000 0.502 238 L N 4.664 126.064 121.223 0.295 0.000 2.334 238 L HA 0.372 4.712 4.340 -0.001 0.000 0.277 238 L C -0.197 176.733 176.870 0.100 0.000 1.075 238 L CA -0.428 54.563 54.840 0.251 0.000 0.804 238 L CB 0.915 43.119 42.059 0.242 0.000 1.174 238 L HN 0.600 nan 8.230 nan 0.000 0.438 239 M N 3.922 123.570 119.600 0.079 0.000 2.365 239 M HA 0.321 4.801 4.480 -0.001 0.000 0.350 239 M C -1.077 175.149 176.300 -0.123 0.000 1.274 239 M CA -0.322 54.963 55.300 -0.026 0.000 1.252 239 M CB 0.831 33.443 32.600 0.020 0.000 1.297 239 M HN 0.272 nan 8.290 nan 0.000 0.438 240 V N 4.860 124.591 119.914 -0.304 0.000 2.513 240 V HA 0.601 4.720 4.120 -0.001 0.000 0.299 240 V C -2.065 173.741 176.094 -0.481 0.000 1.035 240 V CA -1.432 60.585 62.300 -0.472 0.000 0.889 240 V CB 1.699 33.130 31.823 -0.654 0.000 0.988 240 V HN 0.574 nan 8.190 nan 0.000 0.440 241 P HA 0.357 nan 4.420 nan 0.000 0.290 241 P C 0.151 177.588 177.300 0.229 0.000 1.275 241 P CA -0.103 62.955 63.100 -0.071 0.000 0.841 241 P CB 1.482 33.089 31.700 -0.155 0.000 1.042 242 G N 0.553 109.599 108.800 0.409 0.000 2.732 242 G HA2 0.371 4.331 3.960 -0.001 0.000 0.244 242 G HA3 0.371 4.331 3.960 -0.001 0.000 0.244 242 G C 0.507 175.526 174.900 0.197 0.000 1.226 242 G CA 0.488 45.800 45.100 0.352 0.000 0.860 242 G HN 0.894 nan 8.290 nan 0.000 0.583 243 G N -0.503 108.379 108.800 0.136 0.000 2.499 243 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.232 243 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.232 243 G C -0.006 174.960 174.900 0.111 0.000 1.251 243 G CA 0.352 45.508 45.100 0.093 0.000 0.917 243 G HN 0.820 nan 8.290 nan 0.000 0.580 244 K N 0.671 121.135 120.400 0.106 0.000 2.281 244 K HA 0.577 4.897 4.320 -0.001 0.000 0.272 244 K C -0.553 176.155 176.600 0.180 0.000 1.048 244 K CA -0.444 55.908 56.287 0.108 0.000 0.898 244 K CB 0.587 33.123 32.500 0.060 0.000 1.128 244 K HN 0.759 nan 8.250 nan 0.000 0.460 245 H N 1.682 120.791 119.070 0.065 0.000 2.865 245 H HA 0.501 5.056 4.556 -0.001 0.000 0.372 245 H C -1.253 174.102 175.328 0.044 0.000 1.173 245 H CA -0.751 55.330 56.048 0.056 0.000 1.147 245 H CB 1.324 31.130 29.762 0.073 0.000 1.805 245 H HN 0.514 nan 8.280 nan 0.000 0.553 246 N N 3.041 121.397 118.700 -0.573 0.000 2.371 246 N HA 0.261 5.001 4.740 -0.001 0.000 0.291 246 N C -1.260 173.915 175.510 -0.558 0.000 1.053 246 N CA -0.568 52.253 53.050 -0.382 0.000 0.870 246 N CB 2.239 40.602 38.487 -0.207 0.000 1.503 246 N HN 0.620 nan 8.380 nan 0.000 0.485 247 M N -0.279 119.152 119.600 -0.281 0.000 2.190 247 M HA 0.552 5.031 4.480 -0.001 0.000 0.312 247 M C -1.334 174.729 176.300 -0.395 0.000 0.990 247 M CA -0.764 54.349 55.300 -0.311 0.000 0.927 247 M CB 1.650 34.118 32.600 -0.219 0.000 1.571 247 M HN -0.014 nan 8.290 nan 0.000 0.427 248 D N 3.699 123.855 120.400 -0.406 0.000 2.304 248 D HA 0.495 5.135 4.640 -0.001 0.000 0.250 248 D C -1.235 174.682 176.300 -0.639 0.000 1.107 248 D CA 0.496 54.267 54.000 -0.382 0.000 0.885 248 D CB 0.930 41.583 40.800 -0.244 0.000 1.192 248 D HN 0.492 nan 8.370 nan 0.000 0.436 249 F N 0.917 120.735 119.950 -0.221 0.000 2.563 249 F HA 0.404 4.930 4.527 -0.001 0.000 0.316 249 F C -0.413 175.169 175.800 -0.363 0.000 1.076 249 F CA -0.983 56.934 58.000 -0.138 0.000 0.921 249 F CB 1.395 40.366 39.000 -0.048 0.000 1.209 249 F HN 0.157 nan 8.300 nan 0.000 0.462 250 Y N 1.257 121.721 120.300 0.273 0.000 2.350 250 Y HA 0.659 5.209 4.550 -0.001 0.000 0.338 250 Y C -0.671 175.342 175.900 0.189 0.000 0.961 250 Y CA -1.031 57.173 58.100 0.175 0.000 1.100 250 Y CB 2.010 40.549 38.460 0.132 0.000 1.179 250 Y HN 0.218 nan 8.280 nan 0.000 0.454 251 V N 4.140 124.139 119.914 0.142 0.000 2.495 251 V HA 0.444 4.563 4.120 -0.001 0.000 0.298 251 V C -0.530 175.552 176.094 -0.019 0.000 1.031 251 V CA -0.905 61.372 62.300 -0.038 0.000 0.871 251 V CB 1.682 33.279 31.823 -0.376 0.000 0.988 251 V HN 0.805 nan 8.190 nan 0.000 0.432 252 E N 3.918 124.122 120.200 0.007 0.000 2.336 252 E HA 0.868 5.218 4.350 -0.001 0.000 0.267 252 E C -0.926 175.645 176.600 -0.049 0.000 0.906 252 E CA -1.023 55.386 56.400 0.014 0.000 0.781 252 E CB 2.632 32.393 29.700 0.103 0.000 1.261 252 E HN 0.666 nan 8.360 nan 0.000 0.436 253 A N 1.971 124.762 122.820 -0.049 0.000 2.306 253 A HA 0.513 4.833 4.320 -0.001 0.000 0.330 253 A C 0.305 177.852 177.584 -0.062 0.000 1.146 253 A CA -0.833 51.168 52.037 -0.060 0.000 0.827 253 A CB 0.539 19.510 19.000 -0.049 0.000 1.178 253 A HN 0.672 nan 8.150 nan 0.000 0.490 254 L N 0.342 121.526 121.223 -0.066 0.000 2.766 254 L HA 0.500 4.839 4.340 -0.001 0.000 0.242 254 L C 0.550 177.399 176.870 -0.035 0.000 1.136 254 L CA 0.497 55.306 54.840 -0.051 0.000 0.933 254 L CB -0.020 42.003 42.059 -0.060 0.000 1.241 254 L HN 0.757 nan 8.230 nan 0.000 0.522 255 A N -0.295 122.508 122.820 -0.029 0.000 2.540 255 A HA 0.642 4.961 4.320 -0.001 0.000 0.297 255 A C -1.289 176.420 177.584 0.209 0.000 1.056 255 A CA -0.429 51.657 52.037 0.080 0.000 0.700 255 A CB 0.914 19.906 19.000 -0.013 0.000 1.280 255 A HN -0.031 nan 8.150 nan 0.000 0.398 256 F N 1.772 121.865 119.950 0.239 0.000 2.380 256 F HA 0.487 5.013 4.527 -0.002 0.000 0.325 256 F C -1.675 174.303 175.800 0.297 0.000 1.136 256 F CA -1.468 56.670 58.000 0.229 0.000 1.171 256 F CB 0.764 39.917 39.000 0.255 0.000 1.230 256 F HN 0.306 nan 8.300 nan 0.000 0.554 257 P HA 0.056 nan 4.420 nan 0.000 0.267 257 P C -0.985 176.396 177.300 0.134 0.000 1.200 257 P CA 0.290 63.375 63.100 -0.025 0.000 0.772 257 P CB 0.656 32.213 31.700 -0.238 0.000 0.855 258 D N -0.423 120.075 120.400 0.164 0.000 2.759 258 D HA 0.125 4.764 4.640 -0.001 0.000 0.321 258 D C 0.913 177.288 176.300 0.125 0.000 1.267 258 D CA -0.277 53.826 54.000 0.172 0.000 0.933 258 D CB 1.043 42.001 40.800 0.262 0.000 1.431 258 D HN 0.133 nan 8.370 nan 0.000 0.504 259 T N -0.467 114.157 114.554 0.116 0.000 2.778 259 T HA -0.178 4.171 4.350 -0.001 0.000 0.269 259 T C 0.906 175.670 174.700 0.106 0.000 1.050 259 T CA 1.667 63.822 62.100 0.091 0.000 1.137 259 T CB -0.196 68.722 68.868 0.085 0.000 0.860 259 T HN 0.422 nan 8.240 nan 0.000 0.468 260 D N -0.554 119.931 120.400 0.141 0.000 2.402 260 D HA 0.118 4.757 4.640 -0.001 0.000 0.216 260 D C -0.300 176.141 176.300 0.235 0.000 1.128 260 D CA -0.609 53.478 54.000 0.144 0.000 0.833 260 D CB -0.212 40.654 40.800 0.109 0.000 0.971 260 D HN 0.340 nan 8.370 nan 0.000 0.503 261 F N 0.964 120.937 119.950 0.039 0.000 3.034 261 F HA 0.381 4.908 4.527 -0.000 0.000 0.371 261 F C -2.444 173.372 175.800 0.026 0.000 1.233 261 F CA -2.728 55.291 58.000 0.032 0.000 1.134 261 F CB 1.984 41.007 39.000 0.039 0.000 1.495 261 F HN -0.325 nan 8.300 nan 0.000 0.563 262 P HA 0.111 nan 4.420 nan 0.000 0.221 262 P C 0.880 177.850 177.300 -0.550 0.000 1.145 262 P CA 2.281 65.256 63.100 -0.210 0.000 0.795 262 P CB 0.239 31.902 31.700 -0.062 0.000 0.775 263 G N -2.468 105.568 108.800 -1.274 0.000 2.138 263 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.193 263 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.193 263 G C -0.266 174.186 174.900 -0.747 0.000 0.998 263 G CA -0.585 43.515 45.100 -1.667 0.000 0.668 263 G HN 0.234 nan 8.290 nan 0.000 0.516 264 L N 1.262 122.283 121.223 -0.337 0.000 2.317 264 L HA 0.690 5.029 4.340 -0.001 0.000 0.281 264 L C 0.057 177.036 176.870 0.180 0.000 1.024 264 L CA -1.233 53.561 54.840 -0.076 0.000 0.810 264 L CB 1.476 43.500 42.059 -0.058 0.000 1.240 264 L HN -0.060 nan 8.230 nan 0.000 0.427 265 I N 1.810 122.493 120.570 0.188 0.000 2.406 265 I HA 0.336 4.505 4.170 -0.001 0.000 0.290 265 I C -0.079 176.148 176.117 0.184 0.000 0.999 265 I CA -0.278 61.146 61.300 0.205 0.000 1.124 265 I CB 1.839 39.959 38.000 0.200 0.000 1.289 265 I HN 0.508 nan 8.210 nan 0.000 0.441 266 T N 7.208 121.829 114.554 0.111 0.000 2.770 266 T HA 0.625 4.974 4.350 -0.001 0.000 0.283 266 T C 0.043 174.753 174.700 0.017 0.000 0.988 266 T CA -0.447 61.688 62.100 0.058 0.000 0.957 266 T CB 1.192 70.070 68.868 0.016 0.000 0.930 266 T HN 0.254 nan 8.240 nan 0.000 0.443 267 L N 3.374 124.607 121.223 0.016 0.000 2.322 267 L HA 0.603 4.942 4.340 -0.001 0.000 0.281 267 L C 0.131 176.898 176.870 -0.172 0.000 1.014 267 L CA -0.771 54.028 54.840 -0.069 0.000 0.815 267 L CB 1.717 43.794 42.059 0.029 0.000 1.247 267 L HN 0.586 nan 8.230 nan 0.000 0.421 268 T N 3.252 117.596 114.554 -0.349 0.000 2.876 268 T HA 0.537 4.886 4.350 -0.001 0.000 0.289 268 T C -0.565 173.918 174.700 -0.362 0.000 1.014 268 T CA -0.395 61.454 62.100 -0.420 0.000 0.986 268 T CB 2.515 70.976 68.868 -0.678 0.000 1.021 268 T HN 0.389 nan 8.240 nan 0.000 0.458 269 I N 1.695 122.187 120.570 -0.130 0.000 2.437 269 I HA 0.634 4.803 4.170 -0.001 0.000 0.298 269 I C -0.482 175.714 176.117 0.132 0.000 0.984 269 I CA 0.152 61.480 61.300 0.047 0.000 1.214 269 I CB 1.261 39.316 38.000 0.091 0.000 1.365 269 I HN 0.514 nan 8.210 nan 0.000 0.469 270 S N 7.066 122.917 115.700 0.251 0.000 2.521 270 S HA 0.583 5.052 4.470 -0.001 0.000 0.295 270 S C -1.134 173.621 174.600 0.259 0.000 1.098 270 S CA -0.495 57.835 58.200 0.216 0.000 0.999 270 S CB 1.639 64.950 63.200 0.184 0.000 1.034 270 S HN 0.578 nan 8.310 nan 0.000 0.483 271 L N 4.653 126.059 121.223 0.306 0.000 2.282 271 L HA 0.646 4.986 4.340 -0.001 0.000 0.288 271 L C -1.511 175.542 176.870 0.305 0.000 1.033 271 L CA -0.160 54.901 54.840 0.368 0.000 0.807 271 L CB 0.360 42.687 42.059 0.447 0.000 1.209 271 L HN 0.585 nan 8.230 nan 0.000 0.423 272 L N 3.982 125.384 121.223 0.299 0.000 2.365 272 L HA 0.457 4.797 4.340 -0.001 0.000 0.273 272 L C -0.856 176.143 176.870 0.215 0.000 1.000 272 L CA -0.890 54.082 54.840 0.219 0.000 0.819 272 L CB 1.892 44.053 42.059 0.170 0.000 1.284 272 L HN 0.507 nan 8.230 nan 0.000 0.418 273 D N 1.619 122.106 120.400 0.146 0.000 2.339 273 D HA 0.180 4.819 4.640 -0.001 0.000 0.241 273 D C 0.337 176.562 176.300 -0.125 0.000 1.183 273 D CA -0.114 53.852 54.000 -0.057 0.000 0.859 273 D CB 1.195 42.004 40.800 0.015 0.000 1.067 273 D HN 0.585 nan 8.370 nan 0.000 0.484 274 T N 0.069 114.487 114.554 -0.228 0.000 3.313 274 T HA 0.160 4.509 4.350 -0.001 0.000 0.263 274 T C 1.246 175.822 174.700 -0.207 0.000 0.983 274 T CA -0.238 61.761 62.100 -0.168 0.000 0.963 274 T CB -0.176 68.606 68.868 -0.144 0.000 1.141 274 T HN 0.189 nan 8.240 nan 0.000 0.526 275 S N 1.385 116.943 115.700 -0.236 0.000 2.388 275 S HA 0.053 4.522 4.470 -0.001 0.000 0.223 275 S C 0.666 175.182 174.600 -0.140 0.000 1.034 275 S CA -0.101 57.970 58.200 -0.214 0.000 0.963 275 S CB -0.581 62.479 63.200 -0.233 0.000 0.827 275 S HN 0.649 nan 8.310 nan 0.000 0.481 276 N N 1.365 119.998 118.700 -0.112 0.000 2.414 276 N HA 0.383 5.123 4.740 -0.001 0.000 0.256 276 N C -0.012 175.454 175.510 -0.074 0.000 1.029 276 N CA -0.243 52.756 53.050 -0.084 0.000 0.948 276 N CB 1.306 39.753 38.487 -0.067 0.000 1.102 276 N HN 0.181 nan 8.380 nan 0.000 0.496 277 L N 1.305 122.486 121.223 -0.069 0.000 2.478 277 L HA 0.016 4.355 4.340 -0.001 0.000 0.223 277 L C 1.151 177.991 176.870 -0.051 0.000 1.140 277 L CA 0.802 55.604 54.840 -0.063 0.000 0.842 277 L CB 0.018 42.041 42.059 -0.061 0.000 0.953 277 L HN 0.476 nan 8.230 nan 0.000 0.452 278 E N 0.614 120.787 120.200 -0.045 0.000 2.437 278 E HA 0.373 4.722 4.350 -0.001 0.000 0.195 278 E C -0.374 176.207 176.600 -0.032 0.000 1.029 278 E CA 0.144 56.522 56.400 -0.036 0.000 0.948 278 E CB 0.323 30.004 29.700 -0.032 0.000 1.082 278 E HN 0.311 nan 8.360 nan 0.000 0.456 279 L N -0.028 121.174 121.223 -0.035 0.000 2.469 279 L HA 0.501 4.840 4.340 -0.001 0.000 0.256 279 L C -2.343 174.510 176.870 -0.029 0.000 1.006 279 L CA -2.243 52.580 54.840 -0.028 0.000 0.832 279 L CB 1.476 43.519 42.059 -0.026 0.000 1.421 279 L HN -0.205 nan 8.230 nan 0.000 0.410 280 P HA 0.116 nan 4.420 nan 0.000 0.271 280 P C -0.966 176.326 177.300 -0.013 0.000 1.233 280 P CA -0.445 62.647 63.100 -0.015 0.000 0.789 280 P CB 0.262 31.957 31.700 -0.008 0.000 0.951 281 E N -0.037 120.160 120.200 -0.005 0.000 2.568 281 E HA 0.268 4.617 4.350 -0.001 0.000 0.262 281 E C -0.117 176.494 176.600 0.018 0.000 0.961 281 E CA -0.002 56.403 56.400 0.009 0.000 0.945 281 E CB 0.010 29.734 29.700 0.039 0.000 0.924 281 E HN 0.460 nan 8.360 nan 0.000 0.467 282 A N 3.325 126.162 122.820 0.028 0.000 2.318 282 A HA 0.401 4.720 4.320 -0.001 0.000 0.324 282 A C -0.330 177.299 177.584 0.074 0.000 1.170 282 A CA -0.817 51.245 52.037 0.042 0.000 0.810 282 A CB 1.097 20.121 19.000 0.039 0.000 1.198 282 A HN 0.405 nan 8.150 nan 0.000 0.484 283 V N 3.318 123.274 119.914 0.071 0.000 2.555 283 V HA 0.112 4.231 4.120 -0.001 0.000 0.286 283 V C 0.982 177.150 176.094 0.124 0.000 1.044 283 V CA 0.190 62.549 62.300 0.097 0.000 1.026 283 V CB 1.250 33.112 31.823 0.066 0.000 0.981 283 V HN 0.734 nan 8.190 nan 0.000 0.480 284 V N 4.595 124.617 119.914 0.180 0.000 3.455 284 V HA 0.339 4.458 4.120 -0.001 0.000 0.250 284 V C 0.036 176.297 176.094 0.279 0.000 1.230 284 V CA 0.502 62.926 62.300 0.206 0.000 1.105 284 V CB 0.306 32.268 31.823 0.231 0.000 0.850 284 V HN 0.728 nan 8.190 nan 0.000 0.461 285 F N 0.269 120.275 119.950 0.093 0.000 2.639 285 F HA 0.584 5.110 4.527 -0.002 0.000 0.320 285 F C -1.089 174.766 175.800 0.092 0.000 1.128 285 F CA -0.411 57.636 58.000 0.079 0.000 1.037 285 F CB 1.486 40.530 39.000 0.074 0.000 1.288 285 F HN -0.143 nan 8.300 nan 0.000 0.463 286 Q N 4.451 123.774 119.800 -0.795 0.000 2.304 286 Q HA 0.376 4.715 4.340 -0.001 0.000 0.270 286 Q C -2.026 173.476 176.000 -0.831 0.000 1.035 286 Q CA -0.828 54.632 55.803 -0.573 0.000 0.781 286 Q CB 2.348 30.958 28.738 -0.213 0.000 1.261 286 Q HN 0.701 nan 8.270 nan 0.000 0.444 287 D N 0.388 120.441 120.400 -0.577 0.000 2.581 287 D HA 0.667 5.306 4.640 -0.001 0.000 0.232 287 D C -1.663 174.531 176.300 -0.177 0.000 1.143 287 D CA -0.178 53.615 54.000 -0.345 0.000 0.881 287 D CB 2.057 42.756 40.800 -0.168 0.000 1.500 287 D HN 0.472 nan 8.370 nan 0.000 0.458 288 S N -0.164 115.458 115.700 -0.130 0.000 2.542 288 S HA 0.560 5.029 4.470 -0.001 0.000 0.276 288 S C -0.915 173.612 174.600 -0.121 0.000 1.148 288 S CA -0.860 57.264 58.200 -0.126 0.000 0.886 288 S CB 0.572 63.688 63.200 -0.138 0.000 1.109 288 S HN 0.717 nan 8.310 nan 0.000 0.458 289 V N 0.299 120.125 119.914 -0.148 0.000 2.713 289 V HA 0.943 5.063 4.120 -0.001 0.000 0.307 289 V C -0.666 175.279 176.094 -0.249 0.000 1.052 289 V CA -0.683 61.470 62.300 -0.244 0.000 0.967 289 V CB 1.440 33.029 31.823 -0.390 0.000 1.019 289 V HN 0.907 nan 8.190 nan 0.000 0.459 290 V N 4.912 124.671 119.914 -0.258 0.000 2.378 290 V HA 0.500 4.619 4.120 -0.001 0.000 0.288 290 V C -0.449 175.565 176.094 -0.132 0.000 1.016 290 V CA -0.213 62.028 62.300 -0.098 0.000 0.840 290 V CB 0.749 32.597 31.823 0.041 0.000 0.994 290 V HN 0.792 nan 8.190 nan 0.000 0.431 291 F N 3.438 123.436 119.950 0.080 0.000 2.379 291 F HA 0.635 5.162 4.527 -0.000 0.000 0.332 291 F C 0.598 176.342 175.800 -0.093 0.000 1.096 291 F CA -0.434 57.606 58.000 0.066 0.000 1.105 291 F CB 1.244 40.263 39.000 0.031 0.000 1.189 291 F HN 0.356 nan 8.300 nan 0.000 0.515 292 R N 1.765 122.224 120.500 -0.068 0.000 2.514 292 R HA 0.620 4.960 4.340 -0.001 0.000 0.301 292 R C -1.632 174.596 176.300 -0.119 0.000 0.962 292 R CA -0.669 55.152 56.100 -0.464 0.000 0.882 292 R CB 1.412 30.837 30.300 -1.457 0.000 1.143 292 R HN 0.545 nan 8.270 nan 0.000 0.452 293 V N 4.318 124.138 119.914 -0.157 0.000 2.470 293 V HA 0.191 4.310 4.120 -0.001 0.000 0.276 293 V C 0.620 176.633 176.094 -0.136 0.000 1.040 293 V CA -0.343 61.910 62.300 -0.079 0.000 1.008 293 V CB 0.780 32.581 31.823 -0.037 0.000 0.990 293 V HN 0.948 nan 8.190 nan 0.000 0.477 294 A N 9.519 132.319 122.820 -0.035 0.000 2.546 294 A HA 0.387 4.706 4.320 -0.001 0.000 0.243 294 A C -1.627 175.756 177.584 -0.335 0.000 1.063 294 A CA -0.650 51.269 52.037 -0.196 0.000 0.757 294 A CB -0.286 18.799 19.000 0.143 0.000 0.991 294 A HN 0.696 nan 8.150 nan 0.000 0.503 295 P HA 0.123 nan 4.420 nan 0.000 0.276 295 P C -0.779 176.444 177.300 -0.128 0.000 1.252 295 P CA -0.440 62.460 63.100 -0.333 0.000 0.802 295 P CB 0.578 31.952 31.700 -0.543 0.000 1.035 296 W N 3.056 124.221 121.300 -0.225 0.000 2.322 296 W HA 0.481 5.141 4.660 -0.001 0.000 0.307 296 W C -1.010 175.268 176.519 -0.402 0.000 1.220 296 W CA -0.089 57.079 57.345 -0.296 0.000 1.210 296 W CB 0.166 29.313 29.460 -0.520 0.000 1.223 296 W HN 0.164 nan 8.180 nan 0.000 0.511 297 I N 7.876 127.766 120.570 -1.134 0.000 2.569 297 I HA 0.352 4.522 4.170 -0.001 0.000 0.296 297 I C 0.140 175.526 176.117 -1.219 0.000 1.028 297 I CA -1.173 59.482 61.300 -1.076 0.000 1.082 297 I CB 1.908 39.231 38.000 -1.128 0.000 1.264 297 I HN 0.359 nan 8.210 nan 0.000 0.429 298 M N 2.789 121.949 119.600 -0.734 0.000 2.706 298 M HA 0.407 4.887 4.480 -0.001 0.000 0.304 298 M C -0.455 175.803 176.300 -0.070 0.000 1.217 298 M CA -0.358 54.642 55.300 -0.499 0.000 0.922 298 M CB 2.237 34.656 32.600 -0.302 0.000 1.637 298 M HN 0.442 nan 8.290 nan 0.000 0.492 299 T N 3.525 118.072 114.554 -0.012 0.000 2.930 299 T HA 0.491 4.840 4.350 -0.001 0.000 0.313 299 T C -2.582 172.112 174.700 -0.010 0.000 1.019 299 T CA -1.374 60.730 62.100 0.007 0.000 1.004 299 T CB 1.012 69.868 68.868 -0.020 0.000 0.987 299 T HN 0.351 nan 8.240 nan 0.000 0.456 300 P HA 0.253 nan 4.420 nan 0.000 0.272 300 P C 0.534 177.812 177.300 -0.036 0.000 1.240 300 P CA -0.379 62.697 63.100 -0.039 0.000 0.791 300 P CB 0.795 32.443 31.700 -0.086 0.000 0.978 301 N N -0.123 118.586 118.700 0.015 0.000 2.513 301 N HA -0.096 4.644 4.740 -0.001 0.000 0.187 301 N C 1.280 176.807 175.510 0.029 0.000 1.056 301 N CA 1.387 54.474 53.050 0.062 0.000 0.907 301 N CB -0.790 37.778 38.487 0.135 0.000 0.954 301 N HN 0.563 nan 8.380 nan 0.000 0.445 302 T N -2.998 111.548 114.554 -0.014 0.000 3.107 302 T HA 0.134 4.484 4.350 -0.001 0.000 0.249 302 T C 0.608 175.276 174.700 -0.055 0.000 1.096 302 T CA -0.068 62.031 62.100 -0.003 0.000 1.012 302 T CB 0.325 69.201 68.868 0.013 0.000 0.977 302 T HN -0.131 nan 8.240 nan 0.000 0.527 303 Q N 2.306 122.034 119.800 -0.120 0.000 2.241 303 Q HA 0.377 4.716 4.340 -0.001 0.000 0.254 303 Q C -2.773 173.151 176.000 -0.126 0.000 0.917 303 Q CA -2.861 52.822 55.803 -0.200 0.000 0.919 303 Q CB 1.406 29.925 28.738 -0.364 0.000 1.237 303 Q HN 0.162 nan 8.270 nan 0.000 0.434 304 P HA 0.002 nan 4.420 nan 0.000 0.260 304 P C -2.295 174.959 177.300 -0.078 0.000 1.185 304 P CA -0.515 62.533 63.100 -0.087 0.000 0.763 304 P CB -0.054 31.594 31.700 -0.086 0.000 0.776 305 P HA 0.056 nan 4.420 nan 0.000 0.272 305 P C -0.104 177.176 177.300 -0.033 0.000 1.230 305 P CA 0.261 63.344 63.100 -0.029 0.000 0.788 305 P CB 1.162 32.853 31.700 -0.015 0.000 0.949 306 Q N -0.347 119.445 119.800 -0.013 0.000 2.279 306 Q HA 0.191 4.530 4.340 -0.001 0.000 0.261 306 Q C 0.177 176.171 176.000 -0.009 0.000 0.796 306 Q CA 0.084 55.880 55.803 -0.013 0.000 0.971 306 Q CB 1.400 30.131 28.738 -0.011 0.000 1.179 306 Q HN 0.575 nan 8.270 nan 0.000 0.505 307 E N 0.502 120.697 120.200 -0.009 0.000 2.388 307 E HA 0.372 4.721 4.350 -0.001 0.000 0.289 307 E C -1.719 174.770 176.600 -0.185 0.000 0.944 307 E CA -0.391 55.950 56.400 -0.098 0.000 0.792 307 E CB 2.150 31.800 29.700 -0.083 0.000 1.239 307 E HN -0.105 nan 8.360 nan 0.000 0.412 308 V N 3.523 123.281 119.914 -0.260 0.000 2.769 308 V HA 0.567 4.687 4.120 -0.001 0.000 0.312 308 V C -1.102 174.791 176.094 -0.334 0.000 1.058 308 V CA -0.503 61.693 62.300 -0.174 0.000 0.952 308 V CB 1.399 33.193 31.823 -0.049 0.000 1.019 308 V HN 0.589 nan 8.190 nan 0.000 0.445 309 Y N 1.060 121.421 120.300 0.101 0.000 2.457 309 Y HA 0.842 5.391 4.550 -0.001 0.000 0.343 309 Y C 0.199 176.128 175.900 0.048 0.000 0.994 309 Y CA -0.391 57.768 58.100 0.098 0.000 1.031 309 Y CB 2.280 40.837 38.460 0.161 0.000 1.246 309 Y HN 0.888 nan 8.280 nan 0.000 0.449 310 A N 0.474 123.389 122.820 0.158 0.000 2.493 310 A HA 0.846 5.165 4.320 -0.001 0.000 0.300 310 A C -1.759 175.826 177.584 0.001 0.000 1.152 310 A CA -0.757 51.339 52.037 0.097 0.000 0.643 310 A CB 0.660 19.763 19.000 0.173 0.000 1.316 310 A HN 0.731 nan 8.150 nan 0.000 0.469 311 C N 0.750 120.058 119.300 0.014 0.000 2.529 311 C HA 0.865 5.324 4.460 -0.001 0.000 0.329 311 C C 1.004 175.998 174.990 0.007 0.000 1.194 311 C CA -0.054 58.935 59.018 -0.048 0.000 1.779 311 C CB 1.354 29.026 27.740 -0.114 0.000 2.322 311 C HN 1.089 nan 8.230 nan 0.000 0.500 318 D N 1.490 121.996 120.400 0.177 0.000 2.149 318 D HA -0.022 4.617 4.640 -0.001 0.000 0.201 318 D C 1.612 178.023 176.300 0.185 0.000 0.972 318 D CA 0.708 54.804 54.000 0.160 0.000 0.835 318 D CB -0.245 40.654 40.800 0.165 0.000 0.966 318 D HN 0.043 nan 8.370 nan 0.000 0.476 319 F N 1.343 121.369 119.950 0.126 0.000 2.046 319 F HA -0.208 4.318 4.527 -0.001 0.000 0.297 319 F C 2.018 177.861 175.800 0.073 0.000 1.123 319 F CA 1.140 59.212 58.000 0.119 0.000 1.199 319 F CB -0.205 38.913 39.000 0.196 0.000 0.972 319 F HN -0.076 nan 8.300 nan 0.000 0.474 320 L N 0.530 121.955 121.223 0.336 0.000 2.137 320 L HA -0.259 4.081 4.340 -0.001 0.000 0.213 320 L C 2.117 179.004 176.870 0.027 0.000 1.085 320 L CA 1.924 56.875 54.840 0.184 0.000 0.760 320 L CB -1.001 41.174 42.059 0.193 0.000 0.893 320 L HN 0.192 nan 8.230 nan 0.000 0.434 321 K N -0.355 120.061 120.400 0.025 0.000 2.116 321 K HA 0.004 4.323 4.320 -0.001 0.000 0.203 321 K C 2.201 178.771 176.600 -0.049 0.000 1.052 321 K CA 1.265 57.552 56.287 -0.000 0.000 0.952 321 K CB -0.390 32.125 32.500 0.024 0.000 0.729 321 K HN 0.331 nan 8.250 nan 0.000 0.446 322 S N 0.306 115.947 115.700 -0.098 0.000 2.383 322 S HA -0.102 4.368 4.470 -0.001 0.000 0.227 322 S C 2.006 176.498 174.600 -0.179 0.000 1.026 322 S CA 1.057 59.176 58.200 -0.134 0.000 0.981 322 S CB -0.445 62.662 63.200 -0.155 0.000 0.818 322 S HN 0.150 nan 8.310 nan 0.000 0.472 323 V N 3.225 122.977 119.914 -0.270 0.000 2.515 323 V HA -0.170 3.950 4.120 -0.001 0.000 0.250 323 V C 2.237 178.270 176.094 -0.101 0.000 1.058 323 V CA 2.349 64.519 62.300 -0.217 0.000 1.064 323 V CB -1.283 30.380 31.823 -0.268 0.000 0.675 323 V HN 0.717 nan 8.190 nan 0.000 0.461 324 T N -2.545 111.965 114.554 -0.074 0.000 2.962 324 T HA -0.123 4.226 4.350 -0.001 0.000 0.270 324 T C 1.748 176.432 174.700 -0.027 0.000 1.088 324 T CA 1.640 63.719 62.100 -0.035 0.000 1.127 324 T CB -0.549 68.309 68.868 -0.016 0.000 0.883 324 T HN 0.535 nan 8.240 nan 0.000 0.493 325 T N 2.036 116.567 114.554 -0.038 0.000 2.851 325 T HA 0.230 4.580 4.350 -0.001 0.000 0.262 325 T C 1.904 176.595 174.700 -0.015 0.000 1.043 325 T CA 0.467 62.550 62.100 -0.027 0.000 1.140 325 T CB -0.356 68.489 68.868 -0.038 0.000 0.872 325 T HN 0.240 nan 8.240 nan 0.000 0.446 326 L N 0.831 122.037 121.223 -0.027 0.000 2.046 326 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 326 L C 3.012 179.907 176.870 0.041 0.000 1.077 326 L CA 1.281 56.128 54.840 0.012 0.000 0.747 326 L CB -0.626 41.420 42.059 -0.021 0.000 0.896 326 L HN 0.258 nan 8.230 nan 0.000 0.432 327 A N -0.543 122.279 122.820 0.003 0.000 1.877 327 A HA -0.277 4.042 4.320 -0.001 0.000 0.216 327 A C 2.294 179.882 177.584 0.008 0.000 1.186 327 A CA 1.886 53.922 52.037 -0.002 0.000 0.620 327 A CB -0.519 18.469 19.000 -0.020 0.000 0.822 327 A HN 0.379 nan 8.150 nan 0.000 0.443 328 M N -0.979 118.627 119.600 0.011 0.000 2.296 328 M HA -0.131 4.348 4.480 -0.001 0.000 0.265 328 M C 1.870 178.191 176.300 0.035 0.000 1.064 328 M CA 1.480 56.788 55.300 0.014 0.000 1.109 328 M CB -0.113 32.492 32.600 0.008 0.000 1.396 328 M HN 0.379 nan 8.290 nan 0.000 0.430 329 K N -0.442 120.002 120.400 0.074 0.000 2.116 329 K HA 0.023 4.343 4.320 -0.001 0.000 0.203 329 K C 1.704 178.365 176.600 0.101 0.000 1.052 329 K CA 1.149 57.528 56.287 0.152 0.000 0.952 329 K CB -0.076 32.593 32.500 0.281 0.000 0.729 329 K HN 0.277 nan 8.250 nan 0.000 0.446 330 A N 1.058 123.904 122.820 0.044 0.000 2.206 330 A HA -0.057 4.263 4.320 -0.001 0.000 0.211 330 A C 0.342 177.886 177.584 -0.068 0.000 1.158 330 A CA 0.684 52.669 52.037 -0.087 0.000 0.761 330 A CB -0.036 18.930 19.000 -0.056 0.000 0.801 330 A HN 0.209 nan 8.150 nan 0.000 0.473 331 K N -2.662 117.720 120.400 -0.029 0.000 3.548 331 K HA -0.156 4.163 4.320 -0.001 0.000 0.296 331 K C 0.094 176.680 176.600 -0.024 0.000 1.324 331 K CA 1.003 57.275 56.287 -0.025 0.000 0.976 331 K CB -3.354 29.124 32.500 -0.036 0.000 1.294 331 K HN 0.825 nan 8.250 nan 0.000 0.464 332 C N 1.060 120.345 119.300 -0.025 0.000 2.366 332 C HA 0.638 5.097 4.460 -0.001 0.000 0.345 332 C C 1.009 175.982 174.990 -0.029 0.000 1.209 332 C CA -1.415 57.587 59.018 -0.028 0.000 2.050 332 C CB 1.369 29.090 27.740 -0.032 0.000 2.359 332 C HN 0.088 nan 8.230 nan 0.000 0.527 333 K N 1.054 121.435 120.400 -0.031 0.000 2.180 333 K HA 0.410 4.729 4.320 -0.001 0.000 0.251 333 K C -0.666 175.891 176.600 -0.071 0.000 1.014 333 K CA -0.255 56.011 56.287 -0.035 0.000 0.913 333 K CB 0.474 32.962 32.500 -0.020 0.000 1.008 333 K HN 0.652 nan 8.250 nan 0.000 0.490 334 L N 1.777 122.962 121.223 -0.064 0.000 2.409 334 L HA 0.311 4.651 4.340 -0.001 0.000 0.272 334 L C -0.789 176.040 176.870 -0.069 0.000 0.980 334 L CA -0.210 54.580 54.840 -0.084 0.000 0.826 334 L CB 1.872 43.906 42.059 -0.042 0.000 1.268 334 L HN 0.825 nan 8.230 nan 0.000 0.407 335 T N 4.070 118.557 114.554 -0.112 0.000 2.841 335 T HA 0.731 5.080 4.350 -0.001 0.000 0.283 335 T C -0.540 174.219 174.700 0.098 0.000 1.000 335 T CA -0.463 61.646 62.100 0.016 0.000 0.977 335 T CB 1.663 70.582 68.868 0.085 0.000 0.979 335 T HN 0.482 nan 8.240 nan 0.000 0.446 336 I N 1.851 122.488 120.570 0.111 0.000 2.892 336 I HA 0.646 4.815 4.170 -0.001 0.000 0.306 336 I C -0.666 175.487 176.117 0.060 0.000 1.078 336 I CA -1.061 60.283 61.300 0.073 0.000 1.032 336 I CB 2.413 40.444 38.000 0.051 0.000 1.229 336 I HN 0.839 nan 8.210 nan 0.000 0.435 337 C N 6.287 125.565 119.300 -0.036 0.000 2.397 337 C HA 0.712 5.171 4.460 -0.001 0.000 0.325 337 C C -2.589 172.360 174.990 -0.068 0.000 1.201 337 C CA -1.246 57.718 59.018 -0.090 0.000 1.377 337 C CB 1.298 28.798 27.740 -0.400 0.000 2.038 337 C HN 0.504 nan 8.230 nan 0.000 0.457 347 W N 2.838 124.157 121.300 0.032 0.000 1.836 347 W HA 0.269 4.928 4.660 -0.001 0.000 0.449 347 W C 1.040 177.574 176.519 0.024 0.000 0.787 347 W CA -0.402 56.982 57.345 0.064 0.000 1.729 347 W CB 0.404 29.900 29.460 0.060 0.000 1.802 347 W HN 0.400 nan 8.180 nan 0.000 0.257 348 M N 1.534 121.229 119.600 0.158 0.000 2.358 348 M HA -0.223 4.257 4.480 -0.001 0.000 0.264 348 M C 2.259 178.624 176.300 0.108 0.000 1.064 348 M CA 1.905 57.243 55.300 0.063 0.000 1.093 348 M CB -0.247 32.363 32.600 0.017 0.000 1.401 348 M HN 0.322 nan 8.290 nan 0.000 0.440 349 Q N 0.373 120.265 119.800 0.152 0.000 2.079 349 Q HA -0.154 4.186 4.340 -0.001 0.000 0.200 349 Q C 1.240 177.330 176.000 0.150 0.000 0.974 349 Q CA 2.159 58.034 55.803 0.119 0.000 0.840 349 Q CB -0.344 28.445 28.738 0.086 0.000 0.898 349 Q HN 0.523 nan 8.270 nan 0.000 0.430 350 D N -0.370 120.134 120.400 0.174 0.000 2.317 350 D HA -0.066 4.574 4.640 -0.001 0.000 0.211 350 D C 1.138 177.412 176.300 -0.045 0.000 0.966 350 D CA 0.561 54.629 54.000 0.114 0.000 0.876 350 D CB 0.195 41.093 40.800 0.163 0.000 0.927 350 D HN 0.351 nan 8.370 nan 0.000 0.519 351 E N -0.570 119.606 120.200 -0.040 0.000 2.431 351 E HA 0.109 4.458 4.350 -0.001 0.000 0.200 351 E C 0.724 177.186 176.600 -0.230 0.000 0.995 351 E CA 0.058 56.355 56.400 -0.173 0.000 0.915 351 E CB 0.892 30.558 29.700 -0.057 0.000 0.930 351 E HN 0.292 nan 8.360 nan 0.000 0.496 352 M N 0.039 119.626 119.600 -0.022 0.000 2.618 352 M HA 0.507 4.986 4.480 -0.001 0.000 0.281 352 M C -1.945 174.558 176.300 0.339 0.000 1.267 352 M CA -0.602 54.764 55.300 0.110 0.000 0.845 352 M CB 3.015 35.665 32.600 0.082 0.000 1.732 352 M HN -0.241 nan 8.290 nan 0.000 0.461 353 E N 2.177 122.628 120.200 0.418 0.000 2.278 353 E HA 0.522 4.872 4.350 -0.001 0.000 0.272 353 E C -2.037 174.873 176.600 0.516 0.000 0.890 353 E CA -0.408 56.253 56.400 0.436 0.000 0.770 353 E CB 1.864 31.815 29.700 0.417 0.000 1.212 353 E HN 0.754 nan 8.360 nan 0.000 0.415 354 I N 4.685 125.502 120.570 0.412 0.000 2.297 354 I HA 0.495 4.664 4.170 -0.001 0.000 0.291 354 I C 0.731 177.039 176.117 0.319 0.000 1.033 354 I CA -0.406 61.148 61.300 0.423 0.000 1.253 354 I CB 1.045 39.276 38.000 0.385 0.000 1.396 354 I HN 0.617 nan 8.210 nan 0.000 0.476 355 G N 5.869 114.861 108.800 0.319 0.000 3.008 355 G HA2 0.671 4.630 3.960 -0.001 0.000 0.181 355 G HA3 0.671 4.630 3.960 -0.001 0.000 0.181 355 G C -1.328 173.562 174.900 -0.016 0.000 1.309 355 G CA -0.296 44.659 45.100 -0.242 0.000 1.009 355 G HN 0.601 nan 8.290 nan 0.000 0.584 356 Y N -1.724 118.345 120.300 -0.384 0.000 2.624 356 Y HA 0.692 5.241 4.550 -0.002 0.000 0.334 356 Y C -0.961 174.895 175.900 -0.074 0.000 1.155 356 Y CA -1.755 56.266 58.100 -0.132 0.000 1.046 356 Y CB 0.988 39.390 38.460 -0.097 0.000 1.316 356 Y HN 0.748 nan 8.280 nan 0.000 0.457 357 I N 1.117 121.782 120.570 0.158 0.000 2.646 357 I HA 0.774 4.943 4.170 -0.001 0.000 0.299 357 I C -1.304 175.003 176.117 0.317 0.000 1.036 357 I CA -1.088 60.294 61.300 0.136 0.000 1.074 357 I CB 2.322 40.445 38.000 0.203 0.000 1.258 357 I HN 0.915 nan 8.210 nan 0.000 0.430 358 Q N 4.816 124.856 119.800 0.400 0.000 2.379 358 Q HA 0.889 5.228 4.340 -0.001 0.000 0.278 358 Q C -2.089 174.342 176.000 0.717 0.000 1.068 358 Q CA -0.943 55.181 55.803 0.535 0.000 0.816 358 Q CB 2.610 31.729 28.738 0.635 0.000 1.387 358 Q HN 1.058 nan 8.270 nan 0.000 0.413 359 A N 2.201 125.291 122.820 0.450 0.000 2.594 359 A HA 0.685 5.004 4.320 -0.001 0.000 0.291 359 A C -2.505 175.199 177.584 0.200 0.000 1.105 359 A CA -1.557 50.656 52.037 0.293 0.000 0.694 359 A CB 1.384 20.382 19.000 -0.003 0.000 1.291 359 A HN 0.630 nan 8.150 nan 0.000 0.410 360 P HA -0.211 nan 4.420 nan 0.000 0.217 360 P C 0.899 178.303 177.300 0.173 0.000 1.148 360 P CA 2.055 65.258 63.100 0.172 0.000 0.828 360 P CB -0.101 31.613 31.700 0.023 0.000 0.783 361 H N -2.646 116.482 119.070 0.096 0.000 2.547 361 H HA 0.344 4.899 4.556 -0.002 0.000 0.272 361 H C 0.637 176.031 175.328 0.109 0.000 0.971 361 H CA 0.580 56.684 56.048 0.093 0.000 1.245 361 H CB 0.343 30.155 29.762 0.083 0.000 1.440 361 H HN 0.049 nan 8.280 nan 0.000 0.540 362 K N 0.330 120.567 120.400 -0.271 0.000 2.660 362 K HA 0.241 4.561 4.320 -0.001 0.000 0.285 362 K C -1.628 174.944 176.600 -0.046 0.000 0.997 362 K CA -0.158 56.057 56.287 -0.119 0.000 0.861 362 K CB 2.563 35.014 32.500 -0.080 0.000 1.469 362 K HN 0.266 nan 8.250 nan 0.000 0.395 363 T N 1.552 116.127 114.554 0.035 0.000 3.105 363 T HA 0.630 4.980 4.350 -0.001 0.000 0.321 363 T C -1.561 173.182 174.700 0.072 0.000 1.135 363 T CA -0.801 61.362 62.100 0.105 0.000 1.053 363 T CB 0.586 69.543 68.868 0.148 0.000 1.133 363 T HN 0.549 nan 8.240 nan 0.000 0.463 364 L N 1.839 123.123 121.223 0.102 0.000 2.434 364 L HA 0.915 5.254 4.340 -0.001 0.000 0.260 364 L C -3.012 173.885 176.870 0.045 0.000 0.983 364 L CA -2.723 52.139 54.840 0.038 0.000 0.820 364 L CB 2.210 44.295 42.059 0.043 0.000 1.361 364 L HN 0.312 nan 8.230 nan 0.000 0.410 365 P HA 0.234 nan 4.420 nan 0.000 0.271 365 P C -0.951 176.326 177.300 -0.039 0.000 1.216 365 P CA -0.169 62.824 63.100 -0.179 0.000 0.776 365 P CB 1.575 32.881 31.700 -0.656 0.000 0.881 366 V N 3.446 123.509 119.914 0.247 0.000 2.623 366 V HA 0.176 4.295 4.120 -0.001 0.000 0.304 366 V C 0.146 176.600 176.094 0.600 0.000 1.054 366 V CA -0.884 61.693 62.300 0.461 0.000 0.882 366 V CB 2.197 34.352 31.823 0.553 0.000 1.002 366 V HN 0.259 nan 8.190 nan 0.000 0.424 367 V N 4.382 124.609 119.914 0.522 0.000 2.614 367 V HA 0.324 4.443 4.120 -0.001 0.000 0.291 367 V C -0.265 175.932 176.094 0.171 0.000 1.049 367 V CA -0.233 62.300 62.300 0.388 0.000 1.038 367 V CB 0.883 32.861 31.823 0.257 0.000 0.980 367 V HN 0.684 nan 8.190 nan 0.000 0.481 368 F N 4.241 124.170 119.950 -0.036 0.000 2.311 368 F HA 0.450 4.976 4.527 -0.001 0.000 0.371 368 F C 0.020 175.784 175.800 -0.059 0.000 1.083 368 F CA -1.967 55.823 58.000 -0.350 0.000 1.113 368 F CB 0.548 39.100 39.000 -0.745 0.000 1.349 368 F HN 0.599 nan 8.300 nan 0.000 0.470 369 D N 3.485 123.733 120.400 -0.253 0.000 2.343 369 D HA 0.042 4.682 4.640 -0.001 0.000 0.255 369 D C -0.152 175.808 176.300 -0.567 0.000 1.187 369 D CA 0.501 54.319 54.000 -0.303 0.000 0.875 369 D CB 1.162 41.852 40.800 -0.182 0.000 1.136 369 D HN 0.409 nan 8.370 nan 0.000 0.469 370 S N 4.097 119.302 115.700 -0.825 0.000 2.565 370 S HA 0.244 4.713 4.470 -0.001 0.000 0.276 370 S C -1.404 172.835 174.600 -0.603 0.000 1.326 370 S CA -1.340 56.141 58.200 -1.199 0.000 1.045 370 S CB 1.174 63.237 63.200 -1.896 0.000 0.918 370 S HN 0.384 nan 8.310 nan 0.000 0.505 371 P HA -0.133 nan 4.420 nan 0.000 0.222 371 P C 0.128 177.280 177.300 -0.247 0.000 1.147 371 P CA 0.606 63.526 63.100 -0.301 0.000 0.790 371 P CB -0.240 31.294 31.700 -0.277 0.000 0.780 372 R N 1.220 121.554 120.500 -0.277 0.000 2.538 372 R HA 0.079 4.418 4.340 -0.001 0.000 0.282 372 R C -0.287 175.911 176.300 -0.171 0.000 1.009 372 R CA 0.471 56.454 56.100 -0.194 0.000 1.063 372 R CB -0.474 29.711 30.300 -0.192 0.000 0.945 372 R HN -0.118 nan 8.270 nan 0.000 0.414 373 N N 3.358 121.991 118.700 -0.112 0.000 2.723 373 N HA 0.177 4.916 4.740 -0.001 0.000 0.290 373 N C -0.748 174.729 175.510 -0.054 0.000 1.882 373 N CA -0.374 52.624 53.050 -0.085 0.000 0.851 373 N CB 0.988 39.427 38.487 -0.079 0.000 1.234 373 N HN 0.548 nan 8.380 nan 0.000 0.491 374 R N -0.669 119.805 120.500 -0.043 0.000 2.696 374 R HA 0.350 4.689 4.340 -0.001 0.000 0.218 374 R C 1.781 178.072 176.300 -0.014 0.000 1.202 374 R CA -0.094 55.995 56.100 -0.018 0.000 1.043 374 R CB -0.163 30.143 30.300 0.009 0.000 1.292 374 R HN 0.195 nan 8.270 nan 0.000 0.521 375 G N 0.614 109.408 108.800 -0.009 0.000 2.475 375 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.220 375 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.220 375 G C 0.934 175.827 174.900 -0.011 0.000 1.125 375 G CA 0.610 45.699 45.100 -0.018 0.000 0.755 375 G HN 0.124 nan 8.290 nan 0.000 0.565 376 L N 1.236 122.456 121.223 -0.005 0.000 2.627 376 L HA 0.220 4.559 4.340 -0.001 0.000 0.232 376 L C 2.536 179.443 176.870 0.061 0.000 1.150 376 L CA 0.446 55.297 54.840 0.018 0.000 0.917 376 L CB -0.249 41.807 42.059 -0.006 0.000 1.104 376 L HN 0.465 nan 8.230 nan 0.000 0.445 377 K N -1.524 118.889 120.400 0.021 0.000 2.160 377 K HA -0.169 4.150 4.320 -0.001 0.000 0.206 377 K C 1.213 177.828 176.600 0.026 0.000 1.047 377 K CA 1.419 57.709 56.287 0.005 0.000 0.930 377 K CB -0.096 32.393 32.500 -0.019 0.000 0.720 377 K HN 0.132 nan 8.250 nan 0.000 0.450 378 E N 0.083 120.309 120.200 0.043 0.000 2.400 378 E HA -0.001 4.348 4.350 -0.001 0.000 0.195 378 E C 1.517 178.143 176.600 0.044 0.000 1.012 378 E CA 0.098 56.511 56.400 0.023 0.000 0.875 378 E CB -0.175 29.532 29.700 0.012 0.000 0.859 378 E HN 0.320 nan 8.360 nan 0.000 0.498 379 F N 2.568 122.493 119.950 -0.041 0.000 2.091 379 F HA -0.123 4.403 4.527 -0.001 0.000 0.299 379 F C -0.958 174.810 175.800 -0.053 0.000 1.103 379 F CA 1.269 59.243 58.000 -0.043 0.000 1.228 379 F CB -1.074 37.902 39.000 -0.040 0.000 0.984 379 F HN 0.053 nan 8.300 nan 0.000 0.477 380 P HA -0.142 nan 4.420 nan 0.000 0.217 380 P C 1.832 179.049 177.300 -0.137 0.000 1.150 380 P CA 2.024 65.036 63.100 -0.148 0.000 0.832 380 P CB -0.341 31.418 31.700 0.099 0.000 0.787 381 I N -4.129 116.347 120.570 -0.157 0.000 3.251 381 I HA 0.062 4.231 4.170 -0.001 0.000 0.277 381 I C 1.415 177.393 176.117 -0.233 0.000 1.268 381 I CA 1.369 62.491 61.300 -0.297 0.000 1.449 381 I CB -0.116 37.671 38.000 -0.355 0.000 1.083 381 I HN -0.250 nan 8.210 nan 0.000 0.464 382 K N 0.441 120.717 120.400 -0.206 0.000 2.362 382 K HA 0.269 4.588 4.320 -0.001 0.000 0.203 382 K C 1.797 178.277 176.600 -0.200 0.000 1.198 382 K CA 0.068 56.257 56.287 -0.162 0.000 0.908 382 K CB 0.164 32.608 32.500 -0.094 0.000 1.236 382 K HN 0.190 nan 8.250 nan 0.000 0.487 383 R N 0.835 121.135 120.500 -0.335 0.000 2.128 383 R HA 0.128 4.467 4.340 -0.001 0.000 0.211 383 R C 2.278 178.298 176.300 -0.467 0.000 1.067 383 R CA 0.565 56.446 56.100 -0.364 0.000 1.010 383 R CB -0.689 29.342 30.300 -0.449 0.000 0.922 383 R HN -0.025 nan 8.270 nan 0.000 0.457 384 V N 1.340 120.853 119.914 -0.668 0.000 2.436 384 V HA 0.134 4.254 4.120 -0.001 0.000 0.240 384 V C 1.578 177.249 176.094 -0.706 0.000 1.040 384 V CA 0.302 62.117 62.300 -0.808 0.000 1.052 384 V CB -0.289 31.041 31.823 -0.823 0.000 0.707 384 V HN 0.192 nan 8.190 nan 0.000 0.469 385 M N 0.560 119.967 119.600 -0.321 0.000 2.250 385 M HA 0.423 4.903 4.480 -0.001 0.000 0.337 385 M C 0.338 176.614 176.300 -0.040 0.000 1.161 385 M CA 1.522 56.788 55.300 -0.057 0.000 1.088 385 M CB 0.167 32.742 32.600 -0.041 0.000 1.639 385 M HN 0.464 nan 8.290 nan 0.000 0.447 386 G N 4.137 112.994 108.800 0.095 0.000 2.351 386 G HA2 0.211 4.170 3.960 -0.001 0.000 0.279 386 G HA3 0.211 4.170 3.960 -0.001 0.000 0.279 386 G C -3.388 171.606 174.900 0.158 0.000 1.297 386 G CA -1.108 44.046 45.100 0.090 0.000 0.886 386 G HN 0.418 nan 8.290 nan 0.000 0.493 387 P HA 0.359 nan 4.420 nan 0.000 0.261 387 P C -0.686 176.708 177.300 0.157 0.000 1.203 387 P CA 0.866 64.037 63.100 0.118 0.000 0.767 387 P CB 0.026 31.777 31.700 0.084 0.000 0.785 388 D N 0.985 121.462 120.400 0.129 0.000 2.723 388 D HA -0.231 4.408 4.640 -0.001 0.000 0.236 388 D C -0.833 175.529 176.300 0.104 0.000 1.138 388 D CA 1.116 55.174 54.000 0.097 0.000 0.676 388 D CB -2.112 38.720 40.800 0.053 0.000 1.069 388 D HN 0.389 nan 8.370 nan 0.000 0.430 389 F N 0.021 120.037 119.950 0.110 0.000 2.902 389 F HA 0.452 4.979 4.527 -0.001 0.000 0.368 389 F C 0.927 176.824 175.800 0.162 0.000 1.202 389 F CA -0.754 57.327 58.000 0.136 0.000 1.109 389 F CB 1.164 40.231 39.000 0.113 0.000 1.418 389 F HN 0.007 nan 8.300 nan 0.000 0.527 390 G N 2.379 111.419 108.800 0.399 0.000 2.599 390 G HA2 0.256 4.216 3.960 -0.001 0.000 0.264 390 G HA3 0.256 4.216 3.960 -0.001 0.000 0.264 390 G C -2.188 172.988 174.900 0.461 0.000 1.200 390 G CA -0.152 45.177 45.100 0.381 0.000 0.896 390 G HN 0.565 nan 8.290 nan 0.000 0.536 391 Y N -0.252 120.198 120.300 0.250 0.000 2.421 391 Y HA 0.537 5.086 4.550 -0.001 0.000 0.339 391 Y C -0.768 175.223 175.900 0.151 0.000 0.996 391 Y CA -0.779 57.428 58.100 0.178 0.000 1.046 391 Y CB 2.007 40.530 38.460 0.106 0.000 1.226 391 Y HN 0.493 nan 8.280 nan 0.000 0.445 392 V N 3.916 123.486 119.914 -0.573 0.000 2.925 392 V HA 0.775 4.894 4.120 -0.001 0.000 0.311 392 V C -0.529 175.117 176.094 -0.747 0.000 1.104 392 V CA -0.789 61.164 62.300 -0.579 0.000 0.954 392 V CB 1.711 33.085 31.823 -0.748 0.000 1.022 392 V HN 0.822 nan 8.190 nan 0.000 0.427 393 T N 2.152 116.428 114.554 -0.463 0.000 2.864 393 T HA 0.790 5.139 4.350 -0.001 0.000 0.299 393 T C -1.355 173.221 174.700 -0.206 0.000 1.166 393 T CA -0.596 61.337 62.100 -0.278 0.000 1.007 393 T CB 1.967 70.706 68.868 -0.215 0.000 1.219 393 T HN 0.690 nan 8.240 nan 0.000 0.506 394 R N 0.138 120.537 120.500 -0.169 0.000 2.764 394 R HA 0.769 5.108 4.340 -0.001 0.000 0.270 394 R C -0.055 176.141 176.300 -0.174 0.000 1.014 394 R CA 0.143 56.149 56.100 -0.157 0.000 0.904 394 R CB 1.141 31.358 30.300 -0.138 0.000 1.236 394 R HN 1.313 nan 8.270 nan 0.000 0.466 395 G N 1.599 110.296 108.800 -0.172 0.000 2.707 395 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.686 395 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.686 395 G C -2.762 171.959 174.900 -0.299 0.000 1.315 395 G CA -1.059 43.844 45.100 -0.329 0.000 0.832 395 G HN 0.436 nan 8.290 nan 0.000 0.573 396 P HA 0.195 nan 4.420 nan 0.000 0.271 396 P C 0.285 177.480 177.300 -0.175 0.000 1.226 396 P CA 0.150 63.117 63.100 -0.221 0.000 0.765 396 P CB 1.149 32.727 31.700 -0.203 0.000 0.835 397 Q N 1.705 121.433 119.800 -0.119 0.000 2.402 397 Q HA -0.014 4.325 4.340 -0.001 0.000 0.206 397 Q C 1.726 177.680 176.000 -0.076 0.000 0.919 397 Q CA 1.324 57.067 55.803 -0.099 0.000 0.923 397 Q CB -0.454 28.239 28.738 -0.075 0.000 1.048 397 Q HN 0.622 nan 8.270 nan 0.000 0.515 398 T N -2.314 112.202 114.554 -0.064 0.000 3.081 398 T HA 0.356 4.705 4.350 -0.001 0.000 0.255 398 T C 0.783 175.455 174.700 -0.047 0.000 1.113 398 T CA 0.641 62.713 62.100 -0.048 0.000 1.082 398 T CB 0.334 69.181 68.868 -0.035 0.000 0.939 398 T HN 0.300 nan 8.240 nan 0.000 0.506 399 G N -1.490 107.276 108.800 -0.057 0.000 2.348 399 G HA2 0.469 4.428 3.960 -0.001 0.000 0.606 399 G HA3 0.469 4.428 3.960 -0.001 0.000 0.606 399 G C 0.134 175.009 174.900 -0.041 0.000 1.466 399 G CA -0.326 44.745 45.100 -0.048 0.000 0.950 399 G HN 1.356 nan 8.290 nan 0.000 0.657 400 G N -0.156 108.627 108.800 -0.028 0.000 2.165 400 G HA2 0.339 4.299 3.960 -0.001 0.000 0.144 400 G HA3 0.339 4.299 3.960 -0.001 0.000 0.144 400 G C 0.376 175.301 174.900 0.040 0.000 1.049 400 G CA 0.430 45.534 45.100 0.007 0.000 0.741 400 G HN 2.009 nan 8.290 nan 0.000 0.493 401 I N -1.925 118.649 120.570 0.006 0.000 3.786 401 I HA 0.984 5.153 4.170 -0.001 0.000 0.267 401 I C 0.305 176.433 176.117 0.018 0.000 1.209 401 I CA -0.522 60.789 61.300 0.018 0.000 1.157 401 I CB 1.250 39.218 38.000 -0.054 0.000 1.399 401 I HN 0.667 nan 8.210 nan 0.000 0.502 402 S N -1.444 114.264 115.700 0.012 0.000 2.752 402 S HA 0.519 4.988 4.470 -0.001 0.000 0.284 402 S C 0.582 175.189 174.600 0.011 0.000 1.189 402 S CA -0.080 58.124 58.200 0.007 0.000 0.835 402 S CB 0.795 64.005 63.200 0.017 0.000 1.192 402 S HN 1.024 nan 8.310 nan 0.000 0.506 403 G N 0.235 109.050 108.800 0.024 0.000 2.443 403 G HA2 0.056 4.016 3.960 -0.001 0.000 0.219 403 G HA3 0.056 4.016 3.960 -0.001 0.000 0.219 403 G C 1.125 176.117 174.900 0.154 0.000 1.131 403 G CA 0.549 45.698 45.100 0.082 0.000 0.775 403 G HN 0.624 nan 8.290 nan 0.000 0.547 404 L N 0.604 121.888 121.223 0.101 0.000 2.376 404 L HA 0.002 4.342 4.340 -0.001 0.000 0.219 404 L C 1.782 178.681 176.870 0.048 0.000 1.133 404 L CA 0.742 55.639 54.840 0.095 0.000 0.816 404 L CB -0.368 41.765 42.059 0.123 0.000 0.933 404 L HN 0.137 nan 8.230 nan 0.000 0.449 405 D N 0.106 120.525 120.400 0.032 0.000 2.269 405 D HA -0.040 4.599 4.640 -0.001 0.000 0.208 405 D C 0.994 177.247 176.300 -0.078 0.000 0.963 405 D CA 0.406 54.406 54.000 -0.000 0.000 0.864 405 D CB 0.232 41.009 40.800 -0.038 0.000 0.936 405 D HN 0.179 nan 8.370 nan 0.000 0.505 406 S N -0.229 115.410 115.700 -0.102 0.000 2.572 406 S HA 0.106 4.576 4.470 -0.001 0.000 0.279 406 S C 1.039 175.614 174.600 -0.041 0.000 1.341 406 S CA -0.435 57.666 58.200 -0.165 0.000 1.043 406 S CB 0.529 63.714 63.200 -0.024 0.000 0.887 406 S HN 0.181 nan 8.310 nan 0.000 0.516 407 F N 0.579 120.425 119.950 -0.175 0.000 2.765 407 F HA 0.125 4.652 4.527 -0.000 0.000 0.302 407 F C 2.245 178.007 175.800 -0.064 0.000 1.111 407 F CA -0.494 57.432 58.000 -0.123 0.000 1.359 407 F CB 0.008 38.955 39.000 -0.087 0.000 1.097 407 F HN 0.801 nan 8.300 nan 0.000 0.577 408 G N -0.009 108.828 108.800 0.062 0.000 2.534 408 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.217 408 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.217 408 G C 1.205 176.066 174.900 -0.065 0.000 1.128 408 G CA 0.301 45.472 45.100 0.118 0.000 0.784 408 G HN 0.182 nan 8.290 nan 0.000 0.542 409 N N -0.418 118.058 118.700 -0.374 0.000 2.449 409 N HA 0.091 4.830 4.740 -0.001 0.000 0.191 409 N C -0.372 175.173 175.510 0.059 0.000 1.161 409 N CA -0.117 52.846 53.050 -0.145 0.000 0.863 409 N CB -0.016 38.369 38.487 -0.170 0.000 0.980 409 N HN 0.203 nan 8.380 nan 0.000 0.458 410 L N 0.683 121.943 121.223 0.062 0.000 2.372 410 L HA 0.499 4.839 4.340 -0.001 0.000 0.274 410 L C -1.091 175.840 176.870 0.102 0.000 0.988 410 L CA -0.258 54.616 54.840 0.056 0.000 0.833 410 L CB 1.197 43.152 42.059 -0.174 0.000 1.236 410 L HN -0.097 nan 8.230 nan 0.000 0.410 411 E N 3.443 123.715 120.200 0.120 0.000 2.410 411 E HA 0.718 5.067 4.350 -0.001 0.000 0.269 411 E C -1.324 175.326 176.600 0.083 0.000 0.937 411 E CA -0.690 55.781 56.400 0.117 0.000 0.793 411 E CB 2.503 32.273 29.700 0.117 0.000 1.314 411 E HN 0.297 nan 8.360 nan 0.000 0.447 412 V N -0.263 119.675 119.914 0.040 0.000 2.769 412 V HA 0.505 4.624 4.120 -0.001 0.000 0.312 412 V C 0.475 176.444 176.094 -0.209 0.000 1.061 412 V CA -1.105 61.166 62.300 -0.049 0.000 0.931 412 V CB 1.475 33.268 31.823 -0.049 0.000 1.010 412 V HN 0.760 nan 8.190 nan 0.000 0.433 413 S N 3.442 118.939 115.700 -0.340 0.000 2.600 413 S HA 0.527 4.996 4.470 -0.001 0.000 0.265 413 S C -2.337 171.833 174.600 -0.717 0.000 1.325 413 S CA -0.806 56.917 58.200 -0.796 0.000 1.002 413 S CB 0.925 63.791 63.200 -0.557 0.000 0.921 413 S HN 0.637 nan 8.310 nan 0.000 0.554 414 P HA 0.336 nan 4.420 nan 0.000 0.273 414 P C -2.625 174.432 177.300 -0.405 0.000 1.250 414 P CA -1.450 61.282 63.100 -0.613 0.000 0.793 414 P CB -0.826 30.323 31.700 -0.918 0.000 1.011 415 P HA 0.051 nan 4.420 nan 0.000 0.265 415 P C -0.614 176.635 177.300 -0.085 0.000 1.193 415 P CA 0.779 63.773 63.100 -0.177 0.000 0.765 415 P CB 0.291 31.919 31.700 -0.120 0.000 0.823 416 V N 3.236 123.123 119.914 -0.045 0.000 3.178 416 V HA 0.561 4.681 4.120 -0.001 0.000 0.302 416 V C -1.034 175.119 176.094 0.098 0.000 1.262 416 V CA -0.299 62.031 62.300 0.050 0.000 1.030 416 V CB 2.850 34.678 31.823 0.007 0.000 1.074 416 V HN 0.462 nan 8.190 nan 0.000 0.438 417 T N 3.325 117.940 114.554 0.101 0.000 2.876 417 T HA 0.730 5.079 4.350 -0.001 0.000 0.289 417 T C -1.260 173.502 174.700 0.104 0.000 1.014 417 T CA -0.423 61.729 62.100 0.086 0.000 0.986 417 T CB 1.642 70.526 68.868 0.027 0.000 1.021 417 T HN 0.635 nan 8.240 nan 0.000 0.458 418 V N 3.781 123.766 119.914 0.118 0.000 2.488 418 V HA 0.430 4.549 4.120 -0.001 0.000 0.293 418 V C 0.194 176.327 176.094 0.064 0.000 1.027 418 V CA -1.250 61.117 62.300 0.110 0.000 0.862 418 V CB 1.207 33.136 31.823 0.175 0.000 1.008 418 V HN 0.934 nan 8.190 nan 0.000 0.428 419 R N 3.579 124.100 120.500 0.035 0.000 3.118 419 R HA -0.261 4.078 4.340 -0.001 0.000 0.238 419 R C 1.386 177.688 176.300 0.003 0.000 0.884 419 R CA 0.983 57.093 56.100 0.015 0.000 0.601 419 R CB -1.378 28.930 30.300 0.013 0.000 1.009 419 R HN 1.562 nan 8.270 nan 0.000 0.478 420 G N -0.480 108.317 108.800 -0.004 0.000 2.399 420 G HA2 -0.393 3.567 3.960 -0.001 0.000 0.216 420 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.216 420 G C 0.132 174.995 174.900 -0.062 0.000 1.096 420 G CA 0.226 45.310 45.100 -0.026 0.000 0.650 420 G HN 0.413 nan 8.290 nan 0.000 0.512 421 K N 2.528 122.881 120.400 -0.079 0.000 2.349 421 K HA 0.446 4.765 4.320 -0.001 0.000 0.289 421 K C 0.602 177.014 176.600 -0.313 0.000 1.064 421 K CA 0.200 56.361 56.287 -0.210 0.000 0.947 421 K CB 0.155 32.515 32.500 -0.233 0.000 1.007 421 K HN 0.639 nan 8.250 nan 0.000 0.478 422 E N 3.407 123.400 120.200 -0.345 0.000 2.301 422 E HA 0.092 4.442 4.350 -0.001 0.000 0.275 422 E C -1.283 174.982 176.600 -0.559 0.000 1.030 422 E CA -0.535 55.678 56.400 -0.312 0.000 0.852 422 E CB 0.676 30.259 29.700 -0.195 0.000 1.060 422 E HN 0.446 nan 8.360 nan 0.000 0.401 423 Y N 2.996 123.173 120.300 -0.205 0.000 2.863 423 Y HA 0.253 4.803 4.550 0.001 0.000 0.348 423 Y C -1.772 173.900 175.900 -0.380 0.000 1.028 423 Y CA -2.363 55.580 58.100 -0.261 0.000 1.213 423 Y CB 1.561 39.896 38.460 -0.208 0.000 1.120 423 Y HN 0.615 nan 8.280 nan 0.000 0.598 424 P HA -0.093 nan 4.420 nan 0.000 0.226 424 P C 0.631 177.429 177.300 -0.836 0.000 1.153 424 P CA 1.259 63.916 63.100 -0.740 0.000 0.777 424 P CB 0.478 31.255 31.700 -1.538 0.000 0.794 425 L N -1.994 118.795 121.223 -0.722 0.000 2.769 425 L HA 0.392 4.732 4.340 -0.001 0.000 0.240 425 L C 1.255 177.782 176.870 -0.571 0.000 1.163 425 L CA -0.096 54.132 54.840 -1.020 0.000 0.962 425 L CB -0.682 41.024 42.059 -0.588 0.000 1.258 425 L HN 0.028 nan 8.230 nan 0.000 0.513 426 G N 1.576 110.147 108.800 -0.381 0.000 2.692 426 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.248 426 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.248 426 G C -0.282 174.483 174.900 -0.225 0.000 1.340 426 G CA -0.495 44.447 45.100 -0.264 0.000 0.896 426 G HN 0.357 nan 8.290 nan 0.000 0.570 427 R N -0.858 119.489 120.500 -0.254 0.000 2.532 427 R HA 0.396 4.735 4.340 -0.001 0.000 0.297 427 R C -0.039 176.182 176.300 -0.132 0.000 0.984 427 R CA -1.152 54.809 56.100 -0.231 0.000 0.884 427 R CB 1.374 31.453 30.300 -0.369 0.000 1.182 427 R HN 0.432 nan 8.270 nan 0.000 0.442 428 I N 4.128 124.663 120.570 -0.058 0.000 2.821 428 I HA -0.091 4.078 4.170 -0.001 0.000 0.294 428 I C 0.092 176.250 176.117 0.068 0.000 1.210 428 I CA 0.325 61.647 61.300 0.037 0.000 1.430 428 I CB -0.348 37.716 38.000 0.107 0.000 1.356 428 I HN 0.331 nan 8.210 nan 0.000 0.563 429 L N 8.695 129.973 121.223 0.092 0.000 2.307 429 L HA 0.557 4.897 4.340 -0.001 0.000 0.284 429 L C -0.242 176.755 176.870 0.211 0.000 1.023 429 L CA -0.502 54.390 54.840 0.088 0.000 0.810 429 L CB 0.879 42.985 42.059 0.079 0.000 1.231 429 L HN 0.510 nan 8.230 nan 0.000 0.423 430 F N -0.088 119.897 119.950 0.058 0.000 2.645 430 F HA 0.880 5.406 4.527 -0.002 0.000 0.310 430 F C 0.089 175.957 175.800 0.114 0.000 1.102 430 F CA -1.129 56.911 58.000 0.067 0.000 0.952 430 F CB 1.560 40.590 39.000 0.050 0.000 1.326 430 F HN 0.485 nan 8.300 nan 0.000 0.456 431 G N 1.387 110.355 108.800 0.280 0.000 2.367 431 G HA2 0.527 4.486 3.960 -0.001 0.000 0.314 431 G HA3 0.527 4.486 3.960 -0.001 0.000 0.314 431 G C -1.491 173.553 174.900 0.240 0.000 1.130 431 G CA -0.057 45.169 45.100 0.210 0.000 0.864 431 G HN 1.063 nan 8.290 nan 0.000 0.486 432 D N -0.750 119.764 120.400 0.189 0.000 3.158 432 D HA 0.402 5.041 4.640 -0.001 0.000 0.314 432 D C 0.354 176.812 176.300 0.263 0.000 1.308 432 D CA -0.192 53.931 54.000 0.206 0.000 1.001 432 D CB 0.476 41.404 40.800 0.214 0.000 1.389 432 D HN 0.472 nan 8.370 nan 0.000 0.595 433 S N -1.183 114.641 115.700 0.207 0.000 2.686 433 S HA 0.350 4.819 4.470 -0.001 0.000 0.270 433 S C 1.092 175.772 174.600 0.132 0.000 1.194 433 S CA -0.495 57.849 58.200 0.239 0.000 0.990 433 S CB 0.844 64.077 63.200 0.054 0.000 1.029 433 S HN 0.670 nan 8.310 nan 0.000 0.560 434 C N -0.257 118.977 119.300 -0.111 0.000 2.533 434 C HA 0.351 4.810 4.460 -0.001 0.000 0.272 434 C C 0.207 175.204 174.990 0.011 0.000 1.371 434 C CA -0.153 58.724 59.018 -0.236 0.000 1.758 434 C CB -1.605 25.753 27.740 -0.636 0.000 1.972 434 C HN 0.836 nan 8.230 nan 0.000 0.522 435 Y N -1.491 118.764 120.300 -0.076 0.000 2.624 435 Y HA 0.628 5.177 4.550 -0.001 0.000 0.334 435 Y C -3.232 172.667 175.900 -0.001 0.000 1.155 435 Y CA -2.995 55.084 58.100 -0.036 0.000 1.046 435 Y CB -0.011 38.414 38.460 -0.059 0.000 1.316 435 Y HN -0.236 nan 8.280 nan 0.000 0.457 436 P HA 0.302 nan 4.420 nan 0.000 0.287 436 P C -0.755 176.587 177.300 0.070 0.000 1.307 436 P CA -0.006 63.116 63.100 0.036 0.000 0.777 436 P CB 1.447 33.187 31.700 0.068 0.000 0.883 437 S N 2.309 117.977 115.700 -0.053 0.000 2.751 437 S HA 0.377 4.847 4.470 -0.001 0.000 0.310 437 S C 1.034 175.623 174.600 -0.019 0.000 1.128 437 S CA -0.786 57.412 58.200 -0.004 0.000 0.931 437 S CB 0.750 63.915 63.200 -0.058 0.000 1.177 437 S HN 0.200 nan 8.310 nan 0.000 0.530 438 N N 1.392 120.090 118.700 -0.004 0.000 2.364 438 N HA -0.073 4.666 4.740 -0.001 0.000 0.183 438 N C 0.512 175.997 175.510 -0.042 0.000 1.022 438 N CA 1.301 54.342 53.050 -0.015 0.000 0.883 438 N CB -0.402 38.083 38.487 -0.004 0.000 0.965 438 N HN 0.662 nan 8.380 nan 0.000 0.438 439 D N -0.019 120.346 120.400 -0.058 0.000 2.346 439 D HA -0.017 4.622 4.640 -0.001 0.000 0.206 439 D C 0.650 176.892 176.300 -0.096 0.000 1.001 439 D CA 0.103 54.048 54.000 -0.091 0.000 0.871 439 D CB 0.249 40.998 40.800 -0.086 0.000 0.943 439 D HN 0.151 nan 8.370 nan 0.000 0.518 440 S N 0.915 116.562 115.700 -0.088 0.000 2.584 440 S HA 0.371 4.840 4.470 -0.001 0.000 0.273 440 S C 0.267 174.840 174.600 -0.044 0.000 1.311 440 S CA -0.740 57.413 58.200 -0.079 0.000 1.034 440 S CB 1.809 64.935 63.200 -0.123 0.000 0.939 440 S HN -0.011 nan 8.310 nan 0.000 0.513 441 R N 1.279 121.768 120.500 -0.018 0.000 2.787 441 R HA 0.562 4.901 4.340 -0.001 0.000 0.271 441 R C -0.459 175.869 176.300 0.047 0.000 0.993 441 R CA -0.852 55.252 56.100 0.006 0.000 0.993 441 R CB 1.379 31.680 30.300 0.002 0.000 1.155 441 R HN 0.914 nan 8.270 nan 0.000 0.486 442 Q N 0.956 120.792 119.800 0.060 0.000 2.501 442 Q HA 0.435 4.774 4.340 -0.001 0.000 0.288 442 Q C -1.013 175.050 176.000 0.106 0.000 1.051 442 Q CA -0.995 54.870 55.803 0.104 0.000 0.788 442 Q CB 2.024 30.815 28.738 0.089 0.000 1.469 442 Q HN 0.540 nan 8.270 nan 0.000 0.416 443 M N 2.008 121.695 119.600 0.145 0.000 2.242 443 M HA 0.208 4.687 4.480 -0.001 0.000 0.344 443 M C -0.437 175.910 176.300 0.078 0.000 1.140 443 M CA -0.402 54.955 55.300 0.095 0.000 1.160 443 M CB 0.864 33.468 32.600 0.007 0.000 1.491 443 M HN 0.844 nan 8.290 nan 0.000 0.459 444 H N 2.734 121.803 119.070 -0.003 0.000 2.707 444 H HA 0.002 4.557 4.556 -0.001 0.000 0.359 444 H C 0.233 175.566 175.328 0.008 0.000 1.113 444 H CA 0.381 56.431 56.048 0.003 0.000 1.422 444 H CB 1.355 31.109 29.762 -0.013 0.000 1.443 444 H HN 0.842 nan 8.280 nan 0.000 0.591 445 Q N 3.619 123.224 119.800 -0.325 0.000 2.234 445 Q HA -0.079 4.260 4.340 -0.001 0.000 0.206 445 Q C 1.897 177.949 176.000 0.087 0.000 0.980 445 Q CA 1.777 57.526 55.803 -0.090 0.000 0.869 445 Q CB -0.339 28.316 28.738 -0.138 0.000 0.912 445 Q HN 0.744 nan 8.270 nan 0.000 0.436 446 A N -0.534 122.476 122.820 0.317 0.000 1.968 446 A HA -0.055 4.264 4.320 -0.001 0.000 0.217 446 A C 1.934 179.637 177.584 0.200 0.000 1.169 446 A CA 0.892 53.085 52.037 0.259 0.000 0.638 446 A CB -0.417 18.741 19.000 0.262 0.000 0.812 446 A HN 0.404 nan 8.150 nan 0.000 0.446 447 L N -0.917 120.416 121.223 0.184 0.000 2.072 447 L HA -0.204 4.135 4.340 -0.001 0.000 0.205 447 L C 2.823 179.736 176.870 0.072 0.000 1.079 447 L CA 1.398 56.333 54.840 0.158 0.000 0.752 447 L CB -0.934 41.179 42.059 0.089 0.000 0.906 447 L HN 0.493 nan 8.230 nan 0.000 0.436 448 Q N 0.142 119.918 119.800 -0.040 0.000 2.050 448 Q HA -0.217 4.122 4.340 -0.001 0.000 0.202 448 Q C 1.844 177.859 176.000 0.025 0.000 0.980 448 Q CA 1.643 57.388 55.803 -0.096 0.000 0.840 448 Q CB -0.169 28.569 28.738 -0.000 0.000 0.898 448 Q HN 0.442 nan 8.270 nan 0.000 0.424 449 D N 0.266 120.709 120.400 0.071 0.000 2.123 449 D HA -0.162 4.477 4.640 -0.001 0.000 0.196 449 D C 1.514 177.857 176.300 0.071 0.000 0.992 449 D CA 0.910 54.957 54.000 0.078 0.000 0.833 449 D CB -0.285 40.574 40.800 0.099 0.000 0.954 449 D HN 0.169 nan 8.370 nan 0.000 0.455 450 F N 1.001 120.929 119.950 -0.036 0.000 2.146 450 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 450 F C 2.019 177.744 175.800 -0.124 0.000 1.096 450 F CA 1.041 58.985 58.000 -0.094 0.000 1.275 450 F CB -0.278 38.634 39.000 -0.147 0.000 1.008 450 F HN -0.116 nan 8.300 nan 0.000 0.480 451 L N -0.586 120.523 121.223 -0.190 0.000 2.046 451 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 451 L C 2.612 179.362 176.870 -0.200 0.000 1.077 451 L CA 1.386 56.080 54.840 -0.244 0.000 0.747 451 L CB -1.043 40.983 42.059 -0.054 0.000 0.896 451 L HN 0.087 nan 8.230 nan 0.000 0.432 452 S N -0.173 115.468 115.700 -0.098 0.000 2.368 452 S HA -0.140 4.329 4.470 -0.001 0.000 0.225 452 S C 2.109 176.643 174.600 -0.110 0.000 1.030 452 S CA 1.195 59.359 58.200 -0.059 0.000 0.999 452 S CB -0.240 62.963 63.200 0.005 0.000 0.844 452 S HN 0.486 nan 8.310 nan 0.000 0.459 453 A N 0.737 123.466 122.820 -0.152 0.000 2.172 453 A HA -0.007 4.312 4.320 -0.001 0.000 0.216 453 A C 0.866 178.319 177.584 -0.218 0.000 1.154 453 A CA 0.766 52.712 52.037 -0.152 0.000 0.701 453 A CB -0.081 18.849 19.000 -0.115 0.000 0.789 453 A HN 0.339 nan 8.150 nan 0.000 0.465 454 Q N 0.556 120.164 119.800 -0.321 0.000 2.681 454 Q HA 0.187 4.526 4.340 -0.001 0.000 0.222 454 Q C 0.153 176.044 176.000 -0.181 0.000 1.258 454 Q CA 0.098 55.723 55.803 -0.297 0.000 1.014 454 Q CB 0.372 28.868 28.738 -0.404 0.000 1.384 454 Q HN 0.709 nan 8.270 nan 0.000 0.570 455 Q N 0.021 119.759 119.800 -0.104 0.000 2.437 455 Q HA -0.056 4.284 4.340 -0.001 0.000 0.210 455 Q C 1.533 177.480 176.000 -0.090 0.000 0.972 455 Q CA 0.417 56.165 55.803 -0.092 0.000 0.903 455 Q CB 0.150 28.832 28.738 -0.093 0.000 0.967 455 Q HN 0.272 nan 8.270 nan 0.000 0.486 456 V N 1.158 121.029 119.914 -0.072 0.000 2.295 456 V HA -0.259 3.860 4.120 -0.001 0.000 0.246 456 V C 1.352 177.421 176.094 -0.041 0.000 1.049 456 V CA 1.834 64.111 62.300 -0.037 0.000 1.024 456 V CB -0.121 31.735 31.823 0.056 0.000 0.648 456 V HN 0.428 nan 8.190 nan 0.000 0.447 457 Q N -0.253 119.504 119.800 -0.072 0.000 2.286 457 Q HA 0.494 4.833 4.340 -0.001 0.000 0.281 457 Q C 0.538 176.503 176.000 -0.058 0.000 0.897 457 Q CA 0.099 55.858 55.803 -0.073 0.000 1.023 457 Q CB 0.376 29.052 28.738 -0.104 0.000 1.151 457 Q HN 0.553 nan 8.270 nan 0.000 0.445 458 A N 2.483 125.289 122.820 -0.023 0.000 1.898 458 A HA -0.143 4.177 4.320 -0.001 0.000 0.338 458 A C -2.223 175.335 177.584 -0.044 0.000 0.853 458 A CA -0.455 51.573 52.037 -0.016 0.000 1.514 458 A CB -0.778 18.254 19.000 0.054 0.000 0.632 458 A HN 0.196 nan 8.150 nan 0.000 0.231 459 P HA 0.294 nan 4.420 nan 0.000 0.269 459 P C -0.441 176.865 177.300 0.009 0.000 1.215 459 P CA -0.153 62.996 63.100 0.082 0.000 0.780 459 P CB 0.815 32.680 31.700 0.275 0.000 0.898 460 V N 3.046 122.928 119.914 -0.054 0.000 2.540 460 V HA 0.278 4.397 4.120 -0.001 0.000 0.302 460 V C 0.169 176.059 176.094 -0.339 0.000 1.035 460 V CA -0.711 61.504 62.300 -0.141 0.000 0.873 460 V CB 1.717 33.471 31.823 -0.115 0.000 0.992 460 V HN 0.393 nan 8.190 nan 0.000 0.428 461 K N 5.012 125.190 120.400 -0.370 0.000 2.312 461 K HA 0.590 4.909 4.320 -0.001 0.000 0.287 461 K C -0.834 175.661 176.600 -0.175 0.000 1.062 461 K CA -0.199 55.784 56.287 -0.506 0.000 0.934 461 K CB 0.914 33.233 32.500 -0.301 0.000 1.027 461 K HN 0.491 nan 8.250 nan 0.000 0.478 462 L N 2.180 123.344 121.223 -0.099 0.000 2.335 462 L HA 0.415 4.754 4.340 -0.001 0.000 0.268 462 L C -0.258 176.793 176.870 0.303 0.000 1.016 462 L CA -1.217 53.727 54.840 0.173 0.000 0.805 462 L CB 0.690 42.920 42.059 0.285 0.000 1.311 462 L HN 0.557 nan 8.230 nan 0.000 0.456 463 Y N 0.481 120.945 120.300 0.273 0.000 2.504 463 Y HA 0.159 4.708 4.550 -0.001 0.000 0.339 463 Y C 0.732 176.833 175.900 0.335 0.000 0.974 463 Y CA -0.421 57.833 58.100 0.256 0.000 1.232 463 Y CB 1.003 39.611 38.460 0.247 0.000 1.108 463 Y HN 0.662 nan 8.280 nan 0.000 0.509 464 S N 0.740 116.514 115.700 0.125 0.000 2.578 464 S HA -0.006 4.463 4.470 -0.001 0.000 0.228 464 S C 0.897 175.229 174.600 -0.447 0.000 1.022 464 S CA 0.065 58.171 58.200 -0.157 0.000 0.967 464 S CB 0.111 63.384 63.200 0.121 0.000 0.914 464 S HN 0.765 nan 8.310 nan 0.000 0.515 465 D N 2.138 122.413 120.400 -0.208 0.000 2.350 465 D HA -0.061 4.578 4.640 -0.001 0.000 0.216 465 D C 1.607 177.813 176.300 -0.157 0.000 0.968 465 D CA 1.167 55.102 54.000 -0.109 0.000 0.894 465 D CB -0.201 40.649 40.800 0.083 0.000 0.909 465 D HN 0.766 nan 8.370 nan 0.000 0.520 466 W N 0.147 121.231 121.300 -0.360 0.000 2.519 466 W HA 0.099 4.758 4.660 -0.002 0.000 0.266 466 W C -0.109 176.329 176.519 -0.136 0.000 1.253 466 W CA -0.247 56.961 57.345 -0.229 0.000 1.274 466 W CB -1.033 28.154 29.460 -0.455 0.000 1.114 466 W HN -0.130 nan 8.180 nan 0.000 0.596 467 L N 2.177 122.834 121.223 -0.943 0.000 2.380 467 L HA 0.046 4.385 4.340 -0.001 0.000 0.273 467 L C 2.193 178.886 176.870 -0.294 0.000 1.138 467 L CA -0.011 54.406 54.840 -0.704 0.000 0.832 467 L CB 1.272 42.786 42.059 -0.909 0.000 1.124 467 L HN -0.127 nan 8.230 nan 0.000 0.454 468 S N 2.243 117.857 115.700 -0.144 0.000 2.380 468 S HA -0.186 4.283 4.470 -0.001 0.000 0.229 468 S C 1.607 176.149 174.600 -0.097 0.000 1.050 468 S CA 2.175 60.342 58.200 -0.054 0.000 1.100 468 S CB 0.015 63.220 63.200 0.008 0.000 0.984 468 S HN 0.480 nan 8.310 nan 0.000 0.434 469 V N 0.268 120.083 119.914 -0.165 0.000 2.407 469 V HA 0.212 4.331 4.120 -0.001 0.000 0.245 469 V C 1.860 177.808 176.094 -0.244 0.000 1.041 469 V CA 1.133 63.275 62.300 -0.263 0.000 1.040 469 V CB -1.047 30.519 31.823 -0.428 0.000 0.671 469 V HN 0.857 nan 8.190 nan 0.000 0.455 470 G N -0.190 108.481 108.800 -0.216 0.000 2.164 470 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.212 470 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.212 470 G C -0.095 174.923 174.900 0.196 0.000 1.031 470 G CA -0.105 44.951 45.100 -0.073 0.000 0.730 470 G HN 0.630 nan 8.290 nan 0.000 0.501 471 H N -0.736 118.285 119.070 -0.081 0.000 2.469 471 H HA 0.395 4.951 4.556 -0.001 0.000 0.342 471 H C 1.687 177.017 175.328 0.004 0.000 1.115 471 H CA -0.678 55.366 56.048 -0.005 0.000 1.204 471 H CB 2.132 31.893 29.762 -0.001 0.000 1.492 471 H HN 0.271 nan 8.280 nan 0.000 0.499 472 V N -0.329 119.647 119.914 0.103 0.000 2.469 472 V HA -0.246 3.873 4.120 -0.001 0.000 0.251 472 V C 1.624 177.483 176.094 -0.392 0.000 1.064 472 V CA 1.931 64.105 62.300 -0.211 0.000 1.066 472 V CB -0.225 31.494 31.823 -0.173 0.000 0.667 472 V HN 0.741 nan 8.190 nan 0.000 0.461 473 D N 1.103 121.439 120.400 -0.107 0.000 2.191 473 D HA -0.238 4.401 4.640 -0.001 0.000 0.195 473 D C 2.187 178.451 176.300 -0.060 0.000 1.003 473 D CA 2.140 56.090 54.000 -0.083 0.000 0.867 473 D CB -0.229 40.656 40.800 0.141 0.000 0.926 473 D HN 0.748 nan 8.370 nan 0.000 0.450 474 E N -1.547 118.672 120.200 0.033 0.000 2.347 474 E HA -0.091 4.258 4.350 -0.001 0.000 0.196 474 E C 1.415 178.188 176.600 0.288 0.000 1.008 474 E CA 0.498 56.978 56.400 0.133 0.000 0.852 474 E CB -0.056 29.707 29.700 0.104 0.000 0.783 474 E HN 0.566 nan 8.360 nan 0.000 0.505 475 F N -0.584 119.442 119.950 0.128 0.000 2.746 475 F HA 0.317 4.843 4.527 -0.002 0.000 0.320 475 F C -0.070 175.780 175.800 0.084 0.000 1.097 475 F CA -1.033 57.073 58.000 0.176 0.000 1.195 475 F CB 0.409 39.564 39.000 0.258 0.000 1.056 475 F HN -0.196 nan 8.300 nan 0.000 0.562 476 L N -0.686 120.318 121.223 -0.365 0.000 2.434 476 L HA 0.899 5.239 4.340 -0.001 0.000 0.260 476 L C -0.733 175.967 176.870 -0.285 0.000 0.983 476 L CA -0.945 53.687 54.840 -0.348 0.000 0.820 476 L CB 1.854 43.594 42.059 -0.532 0.000 1.361 476 L HN -0.046 nan 8.230 nan 0.000 0.410 477 S N 1.296 116.834 115.700 -0.270 0.000 2.607 477 S HA 0.850 5.320 4.470 -0.001 0.000 0.273 477 S C -1.625 172.808 174.600 -0.279 0.000 1.148 477 S CA -0.417 57.661 58.200 -0.204 0.000 0.833 477 S CB 0.889 64.019 63.200 -0.117 0.000 1.130 477 S HN 0.537 nan 8.310 nan 0.000 0.470 478 F N 1.384 121.323 119.950 -0.018 0.000 2.538 478 F HA 0.751 5.277 4.527 -0.001 0.000 0.325 478 F C -0.029 175.805 175.800 0.056 0.000 1.066 478 F CA -0.492 57.526 58.000 0.030 0.000 0.946 478 F CB 2.228 41.206 39.000 -0.037 0.000 1.199 478 F HN 0.483 nan 8.300 nan 0.000 0.473 479 V N 0.037 120.144 119.914 0.321 0.000 3.049 479 V HA 0.672 4.791 4.120 -0.001 0.000 0.309 479 V C -3.017 173.219 176.094 0.236 0.000 1.148 479 V CA -2.908 59.517 62.300 0.209 0.000 0.990 479 V CB 1.793 33.696 31.823 0.133 0.000 1.039 479 V HN 0.417 nan 8.190 nan 0.000 0.430 480 P HA 0.577 nan 4.420 nan 0.000 0.270 480 P C -0.613 176.763 177.300 0.126 0.000 1.223 480 P CA 0.221 63.410 63.100 0.148 0.000 0.785 480 P CB 0.848 32.599 31.700 0.085 0.000 0.923 481 A N 2.507 125.392 122.820 0.110 0.000 2.520 481 A HA 0.584 4.903 4.320 -0.001 0.000 0.298 481 A C -2.328 175.280 177.584 0.040 0.000 1.051 481 A CA -1.039 51.033 52.037 0.058 0.000 0.690 481 A CB 1.170 20.185 19.000 0.025 0.000 1.281 481 A HN 0.333 nan 8.150 nan 0.000 0.402 482 P HA 0.093 nan 4.420 nan 0.000 0.245 482 P C -0.304 177.002 177.300 0.009 0.000 1.206 482 P CA 0.887 63.998 63.100 0.020 0.000 0.781 482 P CB 0.115 31.825 31.700 0.017 0.000 0.994 483 D N -1.483 118.914 120.400 -0.005 0.000 2.714 483 D HA 0.177 4.817 4.640 -0.001 0.000 0.278 483 D C -0.382 175.889 176.300 -0.047 0.000 1.102 483 D CA -1.131 52.858 54.000 -0.018 0.000 1.108 483 D CB 1.020 41.807 40.800 -0.021 0.000 1.444 483 D HN -0.257 nan 8.370 nan 0.000 0.568 484 R N 0.670 121.139 120.500 -0.053 0.000 2.557 484 R HA -0.248 4.091 4.340 -0.001 0.000 0.289 484 R C -0.210 176.001 176.300 -0.149 0.000 1.001 484 R CA 1.194 57.240 56.100 -0.089 0.000 0.869 484 R CB -1.110 29.125 30.300 -0.108 0.000 2.320 484 R HN 0.830 nan 8.270 nan 0.000 0.517 485 K N -0.503 119.853 120.400 -0.073 0.000 3.595 485 K HA -0.283 4.036 4.320 -0.001 0.000 0.284 485 K C 0.820 177.469 176.600 0.081 0.000 1.150 485 K CA 1.761 58.034 56.287 -0.023 0.000 1.056 485 K CB -1.409 31.005 32.500 -0.143 0.000 1.354 485 K HN 1.154 nan 8.250 nan 0.000 0.448 486 G N 0.522 109.326 108.800 0.006 0.000 2.141 486 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.231 486 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.231 486 G C -0.052 174.993 174.900 0.241 0.000 0.984 486 G CA 0.452 45.626 45.100 0.123 0.000 0.660 486 G HN 0.696 nan 8.290 nan 0.000 0.525 487 F N -2.498 117.494 119.950 0.070 0.000 2.741 487 F HA 0.906 5.432 4.527 -0.002 0.000 0.313 487 F C -0.823 175.048 175.800 0.118 0.000 1.153 487 F CA -2.064 56.000 58.000 0.108 0.000 0.931 487 F CB 0.861 39.952 39.000 0.152 0.000 1.335 487 F HN 0.118 nan 8.300 nan 0.000 0.460 488 R N 1.459 122.154 120.500 0.325 0.000 2.670 488 R HA 0.552 4.891 4.340 -0.001 0.000 0.289 488 R C -1.616 174.916 176.300 0.387 0.000 0.965 488 R CA -0.883 55.355 56.100 0.229 0.000 0.899 488 R CB 1.852 32.203 30.300 0.086 0.000 1.173 488 R HN 0.946 nan 8.270 nan 0.000 0.456 489 L N 5.461 126.831 121.223 0.246 0.000 2.369 489 L HA 0.301 4.640 4.340 -0.001 0.000 0.279 489 L C -0.820 175.979 176.870 -0.119 0.000 1.108 489 L CA -0.225 54.526 54.840 -0.149 0.000 0.852 489 L CB 0.283 42.272 42.059 -0.117 0.000 1.169 489 L HN 0.544 nan 8.230 nan 0.000 0.452 490 L N 6.994 128.114 121.223 -0.172 0.000 2.261 490 L HA 0.384 4.723 4.340 -0.001 0.000 0.289 490 L C -0.294 176.525 176.870 -0.085 0.000 1.059 490 L CA -0.310 54.481 54.840 -0.083 0.000 0.816 490 L CB 1.062 43.093 42.059 -0.046 0.000 1.191 490 L HN 0.538 nan 8.230 nan 0.000 0.431 491 L N 3.054 124.270 121.223 -0.013 0.000 2.317 491 L HA 0.596 4.935 4.340 -0.001 0.000 0.281 491 L C 0.608 177.546 176.870 0.113 0.000 1.024 491 L CA -0.547 54.331 54.840 0.063 0.000 0.810 491 L CB 1.904 44.010 42.059 0.078 0.000 1.240 491 L HN 0.657 nan 8.230 nan 0.000 0.427 492 A N 2.100 125.038 122.820 0.197 0.000 2.445 492 A HA 0.391 4.711 4.320 -0.001 0.000 0.242 492 A C 0.180 177.882 177.584 0.196 0.000 1.075 492 A CA 0.044 52.223 52.037 0.238 0.000 0.777 492 A CB 0.573 19.818 19.000 0.408 0.000 1.013 492 A HN 0.571 nan 8.150 nan 0.000 0.493 493 S N 2.922 118.723 115.700 0.169 0.000 2.673 493 S HA 0.531 5.000 4.470 -0.001 0.000 0.256 493 S C -2.277 172.391 174.600 0.113 0.000 1.141 493 S CA -1.040 57.226 58.200 0.111 0.000 1.109 493 S CB 1.119 64.360 63.200 0.068 0.000 1.101 493 S HN 0.377 nan 8.310 nan 0.000 0.471 494 P HA -0.127 nan 4.420 nan 0.000 0.215 494 P C 1.817 179.232 177.300 0.192 0.000 1.153 494 P CA 0.555 63.758 63.100 0.173 0.000 0.853 494 P CB 0.089 31.913 31.700 0.208 0.000 0.788 495 R N -0.028 120.544 120.500 0.120 0.000 2.119 495 R HA -0.170 4.170 4.340 -0.001 0.000 0.246 495 R C 2.253 178.600 176.300 0.079 0.000 1.146 495 R CA 2.286 58.440 56.100 0.089 0.000 0.962 495 R CB -1.262 29.058 30.300 0.034 0.000 0.863 495 R HN 0.129 nan 8.270 nan 0.000 0.442 496 S N -0.604 115.122 115.700 0.043 0.000 2.368 496 S HA -0.129 4.341 4.470 -0.001 0.000 0.224 496 S C 2.191 176.758 174.600 -0.055 0.000 1.029 496 S CA 1.304 59.508 58.200 0.008 0.000 0.988 496 S CB -0.496 62.711 63.200 0.013 0.000 0.838 496 S HN 0.602 nan 8.310 nan 0.000 0.462 497 C N 0.330 119.559 119.300 -0.119 0.000 2.475 497 C HA 0.116 4.575 4.460 -0.001 0.000 0.279 497 C C 2.195 176.868 174.990 -0.528 0.000 1.322 497 C CA 0.394 59.166 59.018 -0.410 0.000 1.734 497 C CB -1.696 25.769 27.740 -0.458 0.000 2.005 497 C HN 0.746 nan 8.230 nan 0.000 0.495 498 Y N 1.302 121.467 120.300 -0.225 0.000 2.181 498 Y HA -0.191 4.358 4.550 -0.001 0.000 0.288 498 Y C 2.549 178.431 175.900 -0.029 0.000 1.146 498 Y CA 2.380 60.424 58.100 -0.094 0.000 1.164 498 Y CB -0.364 38.077 38.460 -0.032 0.000 0.982 498 Y HN 0.335 nan 8.280 nan 0.000 0.515 499 K N 0.395 120.861 120.400 0.111 0.000 2.044 499 K HA -0.224 4.096 4.320 -0.001 0.000 0.210 499 K C 2.105 178.741 176.600 0.060 0.000 1.049 499 K CA 1.598 57.930 56.287 0.074 0.000 0.927 499 K CB -0.484 32.042 32.500 0.044 0.000 0.713 499 K HN 0.314 nan 8.250 nan 0.000 0.443 500 L N 0.157 121.383 121.223 0.005 0.000 2.027 500 L HA -0.140 4.199 4.340 -0.001 0.000 0.206 500 L C 2.110 179.092 176.870 0.187 0.000 1.074 500 L CA 1.566 56.429 54.840 0.037 0.000 0.745 500 L CB -0.436 41.595 42.059 -0.047 0.000 0.898 500 L HN 0.234 nan 8.230 nan 0.000 0.433 501 F N 0.481 120.408 119.950 -0.037 0.000 2.186 501 F HA -0.202 4.324 4.527 -0.001 0.000 0.299 501 F C 2.771 178.571 175.800 -0.000 0.000 1.090 501 F CA 1.277 59.248 58.000 -0.048 0.000 1.307 501 F CB -1.114 37.825 39.000 -0.101 0.000 1.019 501 F HN 0.261 nan 8.300 nan 0.000 0.489 502 Q N 0.667 120.604 119.800 0.230 0.000 2.123 502 Q HA -0.163 4.176 4.340 -0.001 0.000 0.199 502 Q C 1.936 178.003 176.000 0.113 0.000 0.966 502 Q CA 1.688 57.585 55.803 0.157 0.000 0.845 502 Q CB -0.275 28.552 28.738 0.148 0.000 0.907 502 Q HN 0.422 nan 8.270 nan 0.000 0.439 503 E N -0.791 119.472 120.200 0.105 0.000 2.106 503 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 503 E C 1.951 178.603 176.600 0.087 0.000 0.984 503 E CA 0.965 57.413 56.400 0.080 0.000 0.806 503 E CB 0.078 29.815 29.700 0.062 0.000 0.750 503 E HN 0.259 nan 8.360 nan 0.000 0.458 504 Q N 0.419 120.276 119.800 0.095 0.000 2.046 504 Q HA -0.169 4.171 4.340 -0.001 0.000 0.200 504 Q C 1.883 177.967 176.000 0.140 0.000 0.975 504 Q CA 1.444 57.301 55.803 0.089 0.000 0.836 504 Q CB -0.119 28.633 28.738 0.024 0.000 0.896 504 Q HN 0.249 nan 8.270 nan 0.000 0.428 505 Q N -0.266 119.589 119.800 0.091 0.000 2.167 505 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 505 Q C 1.371 177.406 176.000 0.059 0.000 0.970 505 Q CA 1.231 57.073 55.803 0.065 0.000 0.855 505 Q CB -0.024 28.743 28.738 0.049 0.000 0.911 505 Q HN 0.524 nan 8.270 nan 0.000 0.438 506 N N -0.112 118.629 118.700 0.068 0.000 2.270 506 N HA -0.158 4.581 4.740 -0.001 0.000 0.181 506 N C 1.125 176.664 175.510 0.048 0.000 1.016 506 N CA 0.770 53.851 53.050 0.051 0.000 0.870 506 N CB 0.101 38.620 38.487 0.052 0.000 0.979 506 N HN 0.114 nan 8.380 nan 0.000 0.431 507 E N -0.140 120.112 120.200 0.086 0.000 2.476 507 E HA 0.090 4.439 4.350 -0.001 0.000 0.191 507 E C 0.668 177.281 176.600 0.021 0.000 1.064 507 E CA 0.095 56.555 56.400 0.101 0.000 0.866 507 E CB -0.089 29.715 29.700 0.174 0.000 0.952 507 E HN 0.350 nan 8.360 nan 0.000 0.492 508 G N 0.171 108.953 108.800 -0.031 0.000 2.163 508 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.213 508 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.213 508 G C 0.187 174.928 174.900 -0.263 0.000 0.991 508 G CA 0.136 45.128 45.100 -0.180 0.000 0.653 508 G HN 0.445 nan 8.290 nan 0.000 0.518 509 H N 0.060 119.111 119.070 -0.031 0.000 2.503 509 H HA 0.438 4.993 4.556 -0.001 0.000 0.296 509 H C 2.061 177.347 175.328 -0.070 0.000 1.097 509 H CA 0.471 56.489 56.048 -0.050 0.000 1.055 509 H CB 0.519 30.247 29.762 -0.057 0.000 1.580 509 H HN 0.302 nan 8.280 nan 0.000 0.546 510 G N 0.193 109.003 108.800 0.018 0.000 2.708 510 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.210 510 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.210 510 G C 1.318 176.198 174.900 -0.032 0.000 1.141 510 G CA 0.397 45.489 45.100 -0.014 0.000 0.788 510 G HN 0.295 nan 8.290 nan 0.000 0.531 511 E N -0.089 120.096 120.200 -0.024 0.000 2.481 511 E HA 0.440 4.789 4.350 -0.001 0.000 0.198 511 E C 1.278 177.856 176.600 -0.037 0.000 1.027 511 E CA -0.197 56.186 56.400 -0.028 0.000 0.900 511 E CB 0.253 29.940 29.700 -0.022 0.000 0.993 511 E HN 0.280 nan 8.360 nan 0.000 0.482 512 A N 0.708 123.498 122.820 -0.048 0.000 2.440 512 A HA 0.319 4.639 4.320 -0.001 0.000 0.251 512 A C -0.376 177.126 177.584 -0.135 0.000 1.089 512 A CA -0.127 51.864 52.037 -0.077 0.000 0.779 512 A CB 0.143 19.091 19.000 -0.087 0.000 1.022 512 A HN 0.278 nan 8.150 nan 0.000 0.492 513 L N 3.321 124.476 121.223 -0.112 0.000 2.265 513 L HA 0.296 4.635 4.340 -0.001 0.000 0.289 513 L C 0.060 176.829 176.870 -0.169 0.000 1.033 513 L CA -0.343 54.433 54.840 -0.107 0.000 0.814 513 L CB 1.119 43.154 42.059 -0.041 0.000 1.203 513 L HN 0.649 nan 8.230 nan 0.000 0.423 514 L N 5.049 126.117 121.223 -0.259 0.000 2.410 514 L HA 0.291 4.631 4.340 -0.001 0.000 0.273 514 L C -0.704 175.966 176.870 -0.333 0.000 1.152 514 L CA 0.325 54.889 54.840 -0.460 0.000 0.855 514 L CB 0.224 41.879 42.059 -0.673 0.000 1.129 514 L HN 0.558 nan 8.230 nan 0.000 0.463 524 Q N 1.493 121.420 119.800 0.212 0.000 2.345 524 Q HA 0.532 4.872 4.340 -0.001 0.000 0.268 524 Q C -1.133 174.876 176.000 0.017 0.000 1.054 524 Q CA -0.817 55.069 55.803 0.139 0.000 0.835 524 Q CB 2.532 31.413 28.738 0.239 0.000 1.339 524 Q HN 0.252 nan 8.270 nan 0.000 0.447 525 K N 1.834 122.231 120.400 -0.004 0.000 2.110 525 K HA 0.330 4.649 4.320 -0.001 0.000 0.263 525 K C 0.868 177.396 176.600 -0.120 0.000 0.975 525 K CA -0.591 55.654 56.287 -0.070 0.000 0.895 525 K CB 1.197 33.674 32.500 -0.038 0.000 1.060 525 K HN 0.489 nan 8.250 nan 0.000 0.448 526 I N 1.920 122.354 120.570 -0.226 0.000 2.087 526 I HA -0.383 3.786 4.170 -0.001 0.000 0.240 526 I C 2.057 178.108 176.117 -0.110 0.000 1.054 526 I CA 1.825 62.947 61.300 -0.296 0.000 1.311 526 I CB -0.583 37.218 38.000 -0.330 0.000 1.024 526 I HN 0.727 nan 8.210 nan 0.000 0.402 527 K N 0.567 120.931 120.400 -0.059 0.000 2.097 527 K HA -0.252 4.067 4.320 -0.001 0.000 0.214 527 K C 1.809 178.419 176.600 0.018 0.000 1.052 527 K CA 2.159 58.442 56.287 -0.006 0.000 0.932 527 K CB -0.158 32.340 32.500 -0.003 0.000 0.716 527 K HN 0.390 nan 8.250 nan 0.000 0.455 528 N N 0.428 119.137 118.700 0.015 0.000 2.207 528 N HA -0.059 4.680 4.740 -0.001 0.000 0.182 528 N C 1.876 177.428 175.510 0.070 0.000 1.020 528 N CA 0.930 54.008 53.050 0.046 0.000 0.858 528 N CB -0.185 38.334 38.487 0.055 0.000 0.991 528 N HN 0.160 nan 8.380 nan 0.000 0.427 529 I N 1.253 121.856 120.570 0.055 0.000 2.151 529 I HA -0.274 3.896 4.170 -0.001 0.000 0.243 529 I C 1.937 178.123 176.117 0.114 0.000 1.080 529 I CA 1.151 62.489 61.300 0.064 0.000 1.339 529 I CB -0.192 37.817 38.000 0.015 0.000 1.039 529 I HN 0.054 nan 8.210 nan 0.000 0.409 530 L N -0.133 121.169 121.223 0.133 0.000 2.156 530 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 530 L C 2.650 179.624 176.870 0.173 0.000 1.095 530 L CA 1.366 56.343 54.840 0.229 0.000 0.770 530 L CB -0.611 41.565 42.059 0.196 0.000 0.914 530 L HN 0.334 nan 8.230 nan 0.000 0.439 531 S N -0.860 114.906 115.700 0.110 0.000 2.461 531 S HA -0.080 4.390 4.470 -0.001 0.000 0.228 531 S C 1.135 175.782 174.600 0.077 0.000 1.005 531 S CA -0.015 58.233 58.200 0.080 0.000 0.942 531 S CB -0.516 62.719 63.200 0.058 0.000 0.776 531 S HN 0.372 nan 8.310 nan 0.000 0.514 532 N N 2.283 121.040 118.700 0.095 0.000 2.427 532 N HA 0.125 4.865 4.740 -0.001 0.000 0.269 532 N C 0.503 176.053 175.510 0.065 0.000 1.235 532 N CA 0.239 53.336 53.050 0.079 0.000 0.934 532 N CB 0.692 39.235 38.487 0.094 0.000 1.121 532 N HN 0.414 nan 8.380 nan 0.000 0.480 533 K N 1.693 122.114 120.400 0.034 0.000 2.228 533 K HA 0.001 4.320 4.320 -0.001 0.000 0.202 533 K C 1.145 177.739 176.600 -0.011 0.000 1.051 533 K CA 0.955 57.251 56.287 0.015 0.000 0.960 533 K CB 0.381 32.888 32.500 0.012 0.000 0.743 533 K HN 0.506 nan 8.250 nan 0.000 0.458 534 T N 1.588 116.115 114.554 -0.045 0.000 2.809 534 T HA -0.099 4.250 4.350 -0.001 0.000 0.260 534 T C 1.596 176.128 174.700 -0.280 0.000 1.039 534 T CA 0.607 62.607 62.100 -0.166 0.000 1.141 534 T CB -0.140 68.611 68.868 -0.195 0.000 0.869 534 T HN 0.068 nan 8.240 nan 0.000 0.437 535 L N 1.470 122.619 121.223 -0.124 0.000 2.051 535 L HA -0.100 4.239 4.340 -0.001 0.000 0.214 535 L C 2.442 179.378 176.870 0.110 0.000 1.076 535 L CA 1.777 56.614 54.840 -0.005 0.000 0.758 535 L CB -0.470 41.621 42.059 0.054 0.000 0.890 535 L HN 0.087 nan 8.230 nan 0.000 0.433 536 R N -0.781 119.772 120.500 0.088 0.000 2.066 536 R HA -0.127 4.212 4.340 -0.001 0.000 0.232 536 R C 2.205 178.517 176.300 0.021 0.000 1.131 536 R CA 1.607 57.717 56.100 0.016 0.000 0.955 536 R CB -0.159 30.093 30.300 -0.080 0.000 0.851 536 R HN 0.529 nan 8.270 nan 0.000 0.432 537 E N -0.731 119.502 120.200 0.055 0.000 2.038 537 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 537 E C 1.968 178.723 176.600 0.259 0.000 1.000 537 E CA 1.440 57.913 56.400 0.121 0.000 0.803 537 E CB -0.157 29.616 29.700 0.123 0.000 0.750 537 E HN 0.421 nan 8.360 nan 0.000 0.448 538 H N 0.577 119.719 119.070 0.121 0.000 2.319 538 H HA -0.076 4.480 4.556 -0.001 0.000 0.297 538 H C 1.765 177.218 175.328 0.208 0.000 1.097 538 H CA 1.151 57.310 56.048 0.186 0.000 1.285 538 H CB -0.307 29.571 29.762 0.195 0.000 1.368 538 H HN 0.136 nan 8.280 nan 0.000 0.495 539 N N -0.101 118.782 118.700 0.306 0.000 2.494 539 N HA -0.029 4.710 4.740 -0.001 0.000 0.182 539 N C 1.526 177.090 175.510 0.089 0.000 1.076 539 N CA 0.416 53.600 53.050 0.225 0.000 0.908 539 N CB 0.228 38.904 38.487 0.316 0.000 0.967 539 N HN 0.192 nan 8.380 nan 0.000 0.449 540 S N 0.259 116.005 115.700 0.077 0.000 2.388 540 S HA 0.018 4.487 4.470 -0.001 0.000 0.223 540 S C 1.534 176.139 174.600 0.008 0.000 1.034 540 S CA 0.090 58.298 58.200 0.012 0.000 0.963 540 S CB -0.057 63.153 63.200 0.016 0.000 0.827 540 S HN 0.402 nan 8.310 nan 0.000 0.481 541 F N 2.120 122.034 119.950 -0.060 0.000 2.186 541 F HA -0.085 4.442 4.527 -0.001 0.000 0.299 541 F C 1.935 177.598 175.800 -0.229 0.000 1.090 541 F CA 0.962 58.897 58.000 -0.108 0.000 1.307 541 F CB -0.228 38.731 39.000 -0.069 0.000 1.019 541 F HN -0.054 nan 8.300 nan 0.000 0.489 542 V N 0.691 120.335 119.914 -0.450 0.000 2.358 542 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 542 V C 2.382 178.034 176.094 -0.737 0.000 1.047 542 V CA 2.222 64.072 62.300 -0.751 0.000 1.035 542 V CB -0.695 30.928 31.823 -0.333 0.000 0.658 542 V HN 0.425 nan 8.190 nan 0.000 0.452 543 E N 0.163 120.135 120.200 -0.380 0.000 2.049 543 E HA -0.300 4.050 4.350 -0.001 0.000 0.198 543 E C 2.473 178.877 176.600 -0.327 0.000 1.007 543 E CA 1.663 57.894 56.400 -0.281 0.000 0.809 543 E CB -0.112 29.508 29.700 -0.134 0.000 0.749 543 E HN 0.427 nan 8.360 nan 0.000 0.450 544 R N -0.426 119.879 120.500 -0.325 0.000 2.133 544 R HA -0.200 4.139 4.340 -0.001 0.000 0.247 544 R C 2.475 178.544 176.300 -0.384 0.000 1.151 544 R CA 1.899 57.830 56.100 -0.283 0.000 0.971 544 R CB -0.299 29.866 30.300 -0.224 0.000 0.866 544 R HN 0.347 nan 8.270 nan 0.000 0.447 545 C N -0.416 118.420 119.300 -0.774 0.000 2.500 545 C HA 0.042 4.501 4.460 -0.001 0.000 0.279 545 C C 2.459 176.972 174.990 -0.794 0.000 1.288 545 C CA 0.138 58.584 59.018 -0.953 0.000 1.710 545 C CB -0.633 25.861 27.740 -2.077 0.000 2.052 545 C HN 0.465 nan 8.230 nan 0.000 0.488 546 I N 1.511 121.551 120.570 -0.882 0.000 2.179 546 I HA -0.201 3.968 4.170 -0.001 0.000 0.242 546 I C 2.064 178.038 176.117 -0.237 0.000 1.088 546 I CA 1.623 62.599 61.300 -0.540 0.000 1.357 546 I CB -0.755 37.019 38.000 -0.377 0.000 1.051 546 I HN 0.304 nan 8.210 nan 0.000 0.409 547 D N 0.333 120.618 120.400 -0.192 0.000 2.190 547 D HA -0.243 4.397 4.640 -0.001 0.000 0.200 547 D C 1.701 177.977 176.300 -0.039 0.000 0.992 547 D CA 0.973 54.919 54.000 -0.091 0.000 0.854 547 D CB -0.363 40.390 40.800 -0.078 0.000 0.936 547 D HN 0.522 nan 8.370 nan 0.000 0.462 548 W N 1.893 123.084 121.300 -0.181 0.000 2.354 548 W HA -0.163 4.497 4.660 -0.000 0.000 0.315 548 W C 1.621 178.102 176.519 -0.064 0.000 1.206 548 W CA 0.940 58.212 57.345 -0.121 0.000 1.290 548 W CB -0.309 29.070 29.460 -0.134 0.000 1.152 548 W HN -0.045 nan 8.180 nan 0.000 0.489 549 N N 0.647 119.359 118.700 0.020 0.000 2.205 549 N HA -0.209 4.530 4.740 -0.001 0.000 0.186 549 N C 1.930 177.444 175.510 0.007 0.000 1.015 549 N CA 1.350 54.426 53.050 0.043 0.000 0.862 549 N CB -0.662 37.928 38.487 0.172 0.000 0.986 549 N HN 0.296 nan 8.380 nan 0.000 0.429 550 R N 1.256 121.745 120.500 -0.019 0.000 2.094 550 R HA -0.129 4.210 4.340 -0.001 0.000 0.239 550 R C 1.556 177.813 176.300 -0.072 0.000 1.137 550 R CA 1.331 57.419 56.100 -0.020 0.000 0.943 550 R CB 0.082 30.362 30.300 -0.033 0.000 0.850 550 R HN 0.177 nan 8.270 nan 0.000 0.433 551 E N 0.486 120.593 120.200 -0.155 0.000 2.106 551 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 551 E C 2.025 178.480 176.600 -0.242 0.000 0.984 551 E CA 0.617 56.891 56.400 -0.210 0.000 0.806 551 E CB -0.254 29.268 29.700 -0.295 0.000 0.750 551 E HN 0.194 nan 8.360 nan 0.000 0.458 552 L N 0.649 121.690 121.223 -0.302 0.000 1.989 552 L HA -0.163 4.176 4.340 -0.001 0.000 0.211 552 L C 2.451 179.258 176.870 -0.105 0.000 1.071 552 L CA 1.437 56.141 54.840 -0.228 0.000 0.749 552 L CB -0.869 41.081 42.059 -0.181 0.000 0.890 552 L HN 0.103 nan 8.230 nan 0.000 0.431 553 L N -1.292 119.905 121.223 -0.044 0.000 2.083 553 L HA -0.245 4.094 4.340 -0.001 0.000 0.209 553 L C 2.511 179.385 176.870 0.007 0.000 1.083 553 L CA 1.163 56.011 54.840 0.013 0.000 0.752 553 L CB -0.492 41.606 42.059 0.065 0.000 0.899 553 L HN 0.229 nan 8.230 nan 0.000 0.433 554 K N -0.321 120.068 120.400 -0.019 0.000 2.009 554 K HA -0.212 4.107 4.320 -0.001 0.000 0.210 554 K C 2.339 178.924 176.600 -0.025 0.000 1.049 554 K CA 1.439 57.717 56.287 -0.014 0.000 0.929 554 K CB -0.146 32.331 32.500 -0.040 0.000 0.714 554 K HN 0.142 nan 8.250 nan 0.000 0.440 555 R N 0.821 121.285 120.500 -0.060 0.000 2.070 555 R HA -0.123 4.217 4.340 -0.001 0.000 0.233 555 R C 1.774 178.047 176.300 -0.045 0.000 1.137 555 R CA 1.487 57.552 56.100 -0.058 0.000 0.945 555 R CB 0.082 30.327 30.300 -0.091 0.000 0.845 555 R HN 0.128 nan 8.270 nan 0.000 0.430 556 E N 0.122 120.285 120.200 -0.060 0.000 2.358 556 E HA -0.085 4.264 4.350 -0.001 0.000 0.195 556 E C 1.311 177.852 176.600 -0.099 0.000 1.010 556 E CA 0.653 57.005 56.400 -0.080 0.000 0.856 556 E CB 0.293 29.935 29.700 -0.097 0.000 0.795 556 E HN 0.270 nan 8.360 nan 0.000 0.504 557 L N -0.933 120.265 121.223 -0.043 0.000 2.766 557 L HA 0.282 4.621 4.340 -0.001 0.000 0.242 557 L C 1.171 178.068 176.870 0.046 0.000 1.136 557 L CA 0.392 55.222 54.840 -0.018 0.000 0.933 557 L CB 0.450 42.537 42.059 0.047 0.000 1.241 557 L HN 0.087 nan 8.230 nan 0.000 0.522 558 G N 0.810 109.632 108.800 0.037 0.000 2.283 558 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.280 558 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.280 558 G C 0.267 175.209 174.900 0.069 0.000 1.029 558 G CA 0.205 45.335 45.100 0.049 0.000 0.840 558 G HN 0.261 nan 8.290 nan 0.000 0.505 559 L N -0.372 120.899 121.223 0.081 0.000 2.395 559 L HA 0.634 4.973 4.340 -0.001 0.000 0.269 559 L C 0.956 177.850 176.870 0.039 0.000 1.133 559 L CA -0.100 54.795 54.840 0.092 0.000 0.812 559 L CB 1.159 43.296 42.059 0.129 0.000 1.125 559 L HN 0.342 nan 8.230 nan 0.000 0.452 560 A N 1.402 124.235 122.820 0.021 0.000 2.288 560 A HA 0.372 4.692 4.320 -0.001 0.000 0.328 560 A C 0.815 178.397 177.584 -0.003 0.000 1.123 560 A CA -0.537 51.500 52.037 0.001 0.000 0.861 560 A CB 0.922 19.917 19.000 -0.008 0.000 1.272 560 A HN 0.769 nan 8.150 nan 0.000 0.490 561 E N 0.539 120.734 120.200 -0.009 0.000 2.160 561 E HA -0.158 4.191 4.350 -0.001 0.000 0.195 561 E C 2.094 178.684 176.600 -0.015 0.000 0.991 561 E CA 1.843 58.237 56.400 -0.010 0.000 0.810 561 E CB -0.294 29.399 29.700 -0.012 0.000 0.742 561 E HN 0.748 nan 8.360 nan 0.000 0.466 562 S N 0.395 116.081 115.700 -0.024 0.000 2.603 562 S HA -0.050 4.419 4.470 -0.001 0.000 0.229 562 S C 1.000 175.564 174.600 -0.060 0.000 0.972 562 S CA 0.420 58.599 58.200 -0.036 0.000 0.935 562 S CB 0.112 63.289 63.200 -0.037 0.000 0.769 562 S HN 0.028 nan 8.310 nan 0.000 0.536 563 D N 0.987 121.353 120.400 -0.057 0.000 2.339 563 D HA 0.332 4.971 4.640 -0.001 0.000 0.217 563 D C 0.012 176.296 176.300 -0.027 0.000 1.050 563 D CA 0.274 54.219 54.000 -0.092 0.000 0.856 563 D CB 0.329 41.092 40.800 -0.062 0.000 0.922 563 D HN 0.472 nan 8.370 nan 0.000 0.518 564 I N 1.270 121.833 120.570 -0.011 0.000 2.545 564 I HA 0.258 4.428 4.170 -0.001 0.000 0.292 564 I C -0.551 175.566 176.117 -0.001 0.000 1.040 564 I CA -0.657 60.645 61.300 0.003 0.000 1.068 564 I CB 2.832 40.836 38.000 0.007 0.000 1.251 564 I HN -0.340 nan 8.210 nan 0.000 0.424 565 I N 4.570 125.141 120.570 0.002 0.000 2.418 565 I HA 0.286 4.455 4.170 -0.001 0.000 0.287 565 I C -0.610 175.516 176.117 0.016 0.000 1.008 565 I CA -0.501 60.805 61.300 0.010 0.000 1.104 565 I CB 1.742 39.751 38.000 0.015 0.000 1.264 565 I HN 0.489 nan 8.210 nan 0.000 0.438 566 D N 6.534 126.947 120.400 0.022 0.000 2.304 566 D HA 0.345 4.984 4.640 -0.001 0.000 0.250 566 D C -0.163 176.163 176.300 0.043 0.000 1.107 566 D CA -0.028 53.993 54.000 0.034 0.000 0.885 566 D CB 2.343 43.161 40.800 0.030 0.000 1.192 566 D HN 0.164 nan 8.370 nan 0.000 0.436 567 I N 4.040 124.647 120.570 0.062 0.000 2.389 567 I HA 0.184 4.353 4.170 -0.001 0.000 0.288 567 I C -2.224 173.944 176.117 0.084 0.000 0.999 567 I CA -2.556 58.789 61.300 0.074 0.000 1.129 567 I CB 1.617 39.671 38.000 0.090 0.000 1.288 567 I HN -0.046 nan 8.210 nan 0.000 0.444 568 P HA 0.047 nan 4.420 nan 0.000 0.260 568 P C -0.684 176.696 177.300 0.132 0.000 1.185 568 P CA 0.165 63.291 63.100 0.043 0.000 0.763 568 P CB 0.731 32.414 31.700 -0.027 0.000 0.776 569 Q N 3.158 123.009 119.800 0.084 0.000 2.313 569 Q HA 0.479 4.819 4.340 -0.001 0.000 0.255 569 Q C -2.124 173.791 176.000 -0.142 0.000 0.944 569 Q CA -0.485 55.290 55.803 -0.046 0.000 0.881 569 Q CB 0.977 29.717 28.738 0.004 0.000 1.375 569 Q HN 0.176 nan 8.270 nan 0.000 0.422 570 L N 4.022 124.939 121.223 -0.510 0.000 2.331 570 L HA 0.715 5.055 4.340 -0.001 0.000 0.275 570 L C -1.073 175.564 176.870 -0.388 0.000 1.022 570 L CA -0.077 54.577 54.840 -0.309 0.000 0.812 570 L CB 1.141 42.982 42.059 -0.362 0.000 1.257 570 L HN 0.714 nan 8.230 nan 0.000 0.435 571 F N 1.550 121.509 119.950 0.014 0.000 2.611 571 F HA 0.680 5.206 4.527 -0.001 0.000 0.324 571 F C -0.223 175.738 175.800 0.269 0.000 1.061 571 F CA -0.886 57.205 58.000 0.152 0.000 0.954 571 F CB 1.890 41.002 39.000 0.187 0.000 1.301 571 F HN 0.183 nan 8.300 nan 0.000 0.482 572 K N 1.245 121.959 120.400 0.524 0.000 2.422 572 K HA 0.654 4.973 4.320 -0.001 0.000 0.251 572 K C -1.764 175.065 176.600 0.382 0.000 0.933 572 K CA -0.387 56.201 56.287 0.502 0.000 0.798 572 K CB 1.439 34.235 32.500 0.493 0.000 1.238 572 K HN 0.558 nan 8.250 nan 0.000 0.428 573 L N 4.401 125.827 121.223 0.337 0.000 2.312 573 L HA 0.500 4.840 4.340 -0.001 0.000 0.281 573 L C 0.691 177.631 176.870 0.117 0.000 1.070 573 L CA -0.666 54.225 54.840 0.085 0.000 0.805 573 L CB 1.119 42.978 42.059 -0.332 0.000 1.174 573 L HN 0.613 nan 8.230 nan 0.000 0.434 574 K N 1.421 121.868 120.400 0.078 0.000 3.271 574 K HA 0.339 4.658 4.320 -0.001 0.000 0.309 574 K C -0.416 176.192 176.600 0.014 0.000 0.985 574 K CA -0.635 55.688 56.287 0.059 0.000 1.306 574 K CB 0.184 32.719 32.500 0.058 0.000 3.443 574 K HN 0.430 nan 8.250 nan 0.000 1.110 575 E N 1.621 121.833 120.200 0.021 0.000 2.366 575 E HA 0.088 4.437 4.350 -0.001 0.000 0.266 575 E C -0.735 175.910 176.600 0.074 0.000 1.015 575 E CA 0.179 56.531 56.400 -0.080 0.000 0.906 575 E CB -0.111 29.609 29.700 0.033 0.000 0.979 575 E HN 0.314 nan 8.360 nan 0.000 0.443 576 F N 1.101 121.050 119.950 -0.002 0.000 3.074 576 F HA -0.287 4.239 4.527 -0.001 0.000 0.289 576 F C 0.909 176.694 175.800 -0.025 0.000 0.863 576 F CA 0.705 58.697 58.000 -0.013 0.000 1.121 576 F CB -2.644 36.351 39.000 -0.008 0.000 1.169 576 F HN 0.536 nan 8.300 nan 0.000 0.570 577 S N -1.813 113.920 115.700 0.056 0.000 3.402 577 S HA -0.240 4.229 4.470 -0.001 0.000 0.329 577 S C 0.709 175.345 174.600 0.059 0.000 1.194 577 S CA 1.195 59.385 58.200 -0.016 0.000 0.951 577 S CB -0.545 62.596 63.200 -0.098 0.000 0.975 577 S HN 0.438 nan 8.310 nan 0.000 0.574 578 K N 0.921 121.394 120.400 0.122 0.000 2.118 578 K HA 0.695 5.015 4.320 -0.001 0.000 0.264 578 K C 0.355 177.034 176.600 0.131 0.000 1.000 578 K CA 0.029 56.394 56.287 0.131 0.000 0.929 578 K CB 1.060 33.625 32.500 0.108 0.000 1.021 578 K HN 0.295 nan 8.250 nan 0.000 0.463 579 A N 2.115 125.017 122.820 0.136 0.000 2.312 579 A HA 0.525 4.844 4.320 -0.001 0.000 0.328 579 A C -0.564 177.113 177.584 0.156 0.000 1.158 579 A CA -0.448 51.715 52.037 0.210 0.000 0.821 579 A CB 0.665 19.864 19.000 0.331 0.000 1.170 579 A HN 0.717 nan 8.150 nan 0.000 0.490 580 E N 0.088 120.447 120.200 0.265 0.000 2.429 580 E HA 0.569 4.918 4.350 -0.001 0.000 0.276 580 E C -0.797 175.927 176.600 0.206 0.000 0.953 580 E CA -1.067 55.422 56.400 0.149 0.000 0.787 580 E CB 2.165 31.838 29.700 -0.045 0.000 1.307 580 E HN 0.831 nan 8.360 nan 0.000 0.458 581 A N 1.265 124.082 122.820 -0.004 0.000 2.409 581 A HA 0.176 4.495 4.320 -0.001 0.000 0.267 581 A C 0.074 177.635 177.584 -0.038 0.000 1.127 581 A CA -0.039 51.835 52.037 -0.271 0.000 0.795 581 A CB -0.233 18.613 19.000 -0.257 0.000 1.061 581 A HN 0.775 nan 8.150 nan 0.000 0.502 582 F N 2.840 122.624 119.950 -0.275 0.000 2.146 582 F HA 0.117 4.643 4.527 -0.001 0.000 0.298 582 F C 0.505 176.434 175.800 0.216 0.000 1.096 582 F CA 1.610 59.606 58.000 -0.008 0.000 1.275 582 F CB -0.007 38.976 39.000 -0.029 0.000 1.008 582 F HN 0.639 nan 8.300 nan 0.000 0.480 583 F N -1.793 118.363 119.950 0.343 0.000 2.631 583 F HA 0.654 5.181 4.527 -0.001 0.000 0.328 583 F C -2.899 172.758 175.800 -0.239 0.000 1.067 583 F CA -4.086 54.035 58.000 0.202 0.000 0.969 583 F CB -0.685 38.543 39.000 0.380 0.000 1.332 583 F HN -0.412 nan 8.300 nan 0.000 0.490 584 P HA -0.108 nan 4.420 nan 0.000 0.257 584 P C -0.733 176.600 177.300 0.054 0.000 1.153 584 P CA 0.661 63.627 63.100 -0.223 0.000 0.762 584 P CB 0.031 31.762 31.700 0.053 0.000 0.743 585 N N 3.486 122.168 118.700 -0.030 0.000 2.410 585 N HA 0.004 4.744 4.740 -0.001 0.000 0.281 585 N C 1.309 176.878 175.510 0.099 0.000 1.241 585 N CA -0.189 52.854 53.050 -0.011 0.000 0.998 585 N CB -0.007 38.480 38.487 0.001 0.000 1.376 585 N HN 0.392 nan 8.380 nan 0.000 0.490 586 M N 1.775 121.465 119.600 0.149 0.000 2.279 586 M HA -0.148 4.331 4.480 -0.001 0.000 0.264 586 M C 1.938 178.311 176.300 0.122 0.000 1.062 586 M CA 0.959 56.365 55.300 0.177 0.000 1.099 586 M CB 0.016 32.758 32.600 0.235 0.000 1.394 586 M HN 0.428 nan 8.290 nan 0.000 0.426 587 V N 0.645 120.620 119.914 0.103 0.000 2.809 587 V HA -0.119 4.000 4.120 -0.001 0.000 0.256 587 V C 1.073 177.176 176.094 0.015 0.000 1.080 587 V CA 1.145 63.482 62.300 0.061 0.000 1.102 587 V CB -0.543 31.323 31.823 0.073 0.000 0.705 587 V HN 0.426 nan 8.190 nan 0.000 0.475 588 N N 2.141 120.873 118.700 0.054 0.000 2.971 588 N HA 0.122 4.861 4.740 -0.001 0.000 0.294 588 N C -0.098 175.498 175.510 0.143 0.000 1.210 588 N CA -0.058 53.035 53.050 0.071 0.000 1.157 588 N CB -0.166 38.401 38.487 0.134 0.000 1.450 588 N HN 0.651 nan 8.380 nan 0.000 0.527 589 M N -0.036 119.619 119.600 0.091 0.000 2.664 589 M HA 0.443 4.923 4.480 -0.001 0.000 0.314 589 M C -0.908 175.512 176.300 0.199 0.000 1.200 589 M CA -1.068 54.303 55.300 0.118 0.000 0.916 589 M CB 1.904 34.533 32.600 0.049 0.000 1.717 589 M HN -0.066 nan 8.290 nan 0.000 0.470 590 L N 2.796 124.112 121.223 0.155 0.000 2.255 590 L HA 0.528 4.868 4.340 -0.001 0.000 0.289 590 L C -1.397 175.537 176.870 0.106 0.000 1.046 590 L CA -0.398 54.541 54.840 0.166 0.000 0.816 590 L CB 1.173 43.289 42.059 0.096 0.000 1.197 590 L HN 0.644 nan 8.230 nan 0.000 0.427 591 V N 6.928 126.922 119.914 0.133 0.000 2.334 591 V HA 0.254 4.373 4.120 -0.001 0.000 0.267 591 V C 0.007 176.145 176.094 0.073 0.000 1.040 591 V CA -0.297 62.058 62.300 0.093 0.000 0.866 591 V CB 0.999 32.885 31.823 0.105 0.000 1.019 591 V HN 0.540 nan 8.190 nan 0.000 0.468 592 L N 6.101 127.353 121.223 0.049 0.000 2.709 592 L HA 0.710 5.049 4.340 -0.001 0.000 0.236 592 L C 0.900 177.751 176.870 -0.032 0.000 1.266 592 L CA 1.221 56.072 54.840 0.018 0.000 0.987 592 L CB 0.122 42.197 42.059 0.027 0.000 1.306 592 L HN 0.905 nan 8.230 nan 0.000 0.467 593 G N 1.446 110.228 108.800 -0.029 0.000 2.536 593 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.277 593 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.277 593 G C 0.901 175.786 174.900 -0.025 0.000 1.155 593 G CA 0.359 45.422 45.100 -0.061 0.000 0.960 593 G HN 0.387 nan 8.290 nan 0.000 0.544 594 K N 0.997 121.363 120.400 -0.056 0.000 2.358 594 K HA 0.181 4.501 4.320 -0.001 0.000 0.197 594 K C 0.296 177.003 176.600 0.179 0.000 1.025 594 K CA 0.037 56.352 56.287 0.046 0.000 1.104 594 K CB 0.384 32.913 32.500 0.047 0.000 0.855 594 K HN 0.649 nan 8.250 nan 0.000 0.531 595 H N 1.510 120.570 119.070 -0.016 0.000 2.761 595 H HA 0.210 4.766 4.556 -0.001 0.000 0.284 595 H C -0.513 174.788 175.328 -0.045 0.000 1.105 595 H CA -0.547 55.480 56.048 -0.035 0.000 1.352 595 H CB 0.531 30.272 29.762 -0.034 0.000 1.423 595 H HN -0.109 nan 8.280 nan 0.000 0.464 596 L N 2.904 124.147 121.223 0.033 0.000 2.275 596 L HA 0.326 4.665 4.340 -0.001 0.000 0.288 596 L C 0.921 177.726 176.870 -0.109 0.000 1.046 596 L CA -0.722 54.099 54.840 -0.032 0.000 0.805 596 L CB 1.434 43.454 42.059 -0.065 0.000 1.193 596 L HN 0.699 nan 8.230 nan 0.000 0.426 597 G N 4.545 113.297 108.800 -0.080 0.000 2.741 597 G HA2 0.549 4.508 3.960 -0.001 0.000 0.336 597 G HA3 0.549 4.508 3.960 -0.001 0.000 0.336 597 G C -0.432 174.408 174.900 -0.100 0.000 1.022 597 G CA -0.277 44.752 45.100 -0.119 0.000 1.193 597 G HN 0.360 nan 8.290 nan 0.000 0.455 598 I N 3.280 123.722 120.570 -0.214 0.000 2.440 598 I HA 0.294 4.464 4.170 -0.001 0.000 0.294 598 I C -2.013 174.131 176.117 0.046 0.000 0.995 598 I CA -2.427 58.800 61.300 -0.122 0.000 1.306 598 I CB 1.900 39.705 38.000 -0.325 0.000 1.407 598 I HN 0.209 nan 8.210 nan 0.000 0.501 599 P HA 0.022 nan 4.420 nan 0.000 0.265 599 P C -0.861 176.621 177.300 0.303 0.000 1.193 599 P CA -0.360 62.882 63.100 0.236 0.000 0.765 599 P CB 0.367 32.201 31.700 0.224 0.000 0.823 600 K N 5.832 126.370 120.400 0.230 0.000 2.363 600 K HA 0.083 4.402 4.320 -0.001 0.000 0.289 600 K C -1.307 175.297 176.600 0.007 0.000 1.063 600 K CA -1.409 54.878 56.287 0.001 0.000 0.967 600 K CB 0.285 32.593 32.500 -0.321 0.000 0.987 600 K HN 0.359 nan 8.250 nan 0.000 0.473 601 P HA -0.124 nan 4.420 nan 0.000 0.223 601 P C -0.436 176.922 177.300 0.096 0.000 1.151 601 P CA 0.467 63.581 63.100 0.023 0.000 0.787 601 P CB -0.032 31.517 31.700 -0.252 0.000 0.788 602 F N -0.640 119.266 119.950 -0.074 0.000 2.891 602 F HA -0.159 4.367 4.527 -0.001 0.000 0.272 602 F C 1.230 176.901 175.800 -0.215 0.000 1.004 602 F CA 0.140 58.089 58.000 -0.086 0.000 0.938 602 F CB -1.937 37.074 39.000 0.018 0.000 0.939 602 F HN 0.011 nan 8.300 nan 0.000 0.833 603 G N 0.307 108.979 108.800 -0.214 0.000 2.528 603 G HA2 0.601 4.561 3.960 -0.001 0.000 0.289 603 G HA3 0.601 4.561 3.960 -0.001 0.000 0.289 603 G C -2.578 172.180 174.900 -0.236 0.000 1.192 603 G CA -1.597 43.317 45.100 -0.310 0.000 0.921 603 G HN 0.009 nan 8.290 nan 0.000 0.512 604 P HA 0.071 nan 4.420 nan 0.000 0.261 604 P C 0.087 177.278 177.300 -0.182 0.000 1.173 604 P CA 0.056 63.010 63.100 -0.244 0.000 0.760 604 P CB 0.553 32.049 31.700 -0.341 0.000 0.783 605 V N 3.576 123.409 119.914 -0.135 0.000 2.334 605 V HA 0.390 4.509 4.120 -0.001 0.000 0.267 605 V C 0.043 176.074 176.094 -0.106 0.000 1.040 605 V CA -0.448 61.785 62.300 -0.112 0.000 0.866 605 V CB 0.355 32.135 31.823 -0.071 0.000 1.019 605 V HN 0.246 nan 8.190 nan 0.000 0.468 606 I N 3.851 124.331 120.570 -0.148 0.000 2.441 606 I HA 0.458 4.627 4.170 -0.001 0.000 0.295 606 I C 0.817 176.866 176.117 -0.114 0.000 0.994 606 I CA -0.912 60.276 61.300 -0.185 0.000 1.144 606 I CB 0.715 38.491 38.000 -0.374 0.000 1.314 606 I HN 0.848 nan 8.210 nan 0.000 0.445 607 N N 3.857 122.525 118.700 -0.054 0.000 2.727 607 N HA -0.193 4.546 4.740 -0.001 0.000 0.249 607 N C 0.851 176.340 175.510 -0.036 0.000 1.048 607 N CA 0.941 53.974 53.050 -0.030 0.000 0.714 607 N CB -0.831 37.633 38.487 -0.039 0.000 0.959 607 N HN 1.179 nan 8.380 nan 0.000 0.544 608 G N -0.591 108.188 108.800 -0.034 0.000 2.221 608 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.265 608 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.265 608 G C -0.092 174.776 174.900 -0.052 0.000 1.041 608 G CA 0.661 45.740 45.100 -0.034 0.000 0.807 608 G HN 0.612 nan 8.290 nan 0.000 0.502 609 R N -1.386 119.068 120.500 -0.076 0.000 2.644 609 R HA 0.319 4.658 4.340 -0.001 0.000 0.257 609 R C -0.093 176.123 176.300 -0.140 0.000 1.082 609 R CA -0.166 55.871 56.100 -0.104 0.000 0.927 609 R CB 0.604 30.846 30.300 -0.096 0.000 1.258 609 R HN 0.645 nan 8.270 nan 0.000 0.459 610 C N 4.939 124.127 119.300 -0.185 0.000 2.638 610 C HA 0.066 4.526 4.460 -0.001 0.000 0.410 610 C C 2.409 177.270 174.990 -0.215 0.000 1.404 610 C CA -0.194 58.689 59.018 -0.225 0.000 1.651 610 C CB -1.503 26.047 27.740 -0.317 0.000 2.495 610 C HN 0.877 nan 8.230 nan 0.000 0.606 611 C N 4.677 123.871 119.300 -0.176 0.000 2.432 611 C HA -0.054 4.405 4.460 -0.001 0.000 0.280 611 C C 2.263 177.178 174.990 -0.124 0.000 1.353 611 C CA 0.677 59.614 59.018 -0.134 0.000 1.766 611 C CB -1.879 25.796 27.740 -0.108 0.000 1.924 611 C HN 0.929 nan 8.230 nan 0.000 0.509 612 L N 1.194 122.318 121.223 -0.165 0.000 1.976 612 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 612 L C 3.091 179.826 176.870 -0.224 0.000 1.071 612 L CA 2.177 56.905 54.840 -0.186 0.000 0.746 612 L CB -0.717 41.166 42.059 -0.292 0.000 0.890 612 L HN 0.374 nan 8.230 nan 0.000 0.432 613 E N -0.252 119.697 120.200 -0.418 0.000 2.049 613 E HA -0.331 4.019 4.350 -0.001 0.000 0.198 613 E C 1.979 178.461 176.600 -0.197 0.000 1.007 613 E CA 1.654 57.668 56.400 -0.643 0.000 0.809 613 E CB -0.151 28.918 29.700 -1.052 0.000 0.749 613 E HN 0.378 nan 8.360 nan 0.000 0.450 614 E N 1.521 121.624 120.200 -0.162 0.000 2.136 614 E HA -0.292 4.057 4.350 -0.001 0.000 0.202 614 E C 1.885 178.471 176.600 -0.023 0.000 1.019 614 E CA 1.951 58.309 56.400 -0.070 0.000 0.819 614 E CB -0.072 29.576 29.700 -0.087 0.000 0.739 614 E HN -0.049 nan 8.360 nan 0.000 0.458 615 K N -0.289 120.092 120.400 -0.030 0.000 2.057 615 K HA -0.027 4.292 4.320 -0.001 0.000 0.206 615 K C 1.994 178.614 176.600 0.034 0.000 1.050 615 K CA 1.435 57.720 56.287 -0.003 0.000 0.935 615 K CB -0.502 31.989 32.500 -0.014 0.000 0.715 615 K HN 0.155 nan 8.250 nan 0.000 0.439 616 V N 0.023 119.979 119.914 0.070 0.000 2.379 616 V HA -0.277 3.842 4.120 -0.001 0.000 0.245 616 V C 2.411 178.577 176.094 0.121 0.000 1.044 616 V CA 1.707 64.083 62.300 0.127 0.000 1.036 616 V CB -0.479 31.492 31.823 0.247 0.000 0.664 616 V HN 0.415 nan 8.190 nan 0.000 0.453 617 C N -0.040 119.342 119.300 0.137 0.000 2.436 617 C HA -0.171 4.288 4.460 -0.001 0.000 0.277 617 C C 3.315 178.338 174.990 0.057 0.000 1.241 617 C CA 1.514 60.594 59.018 0.103 0.000 1.721 617 C CB -1.141 26.662 27.740 0.105 0.000 2.043 617 C HN 0.695 nan 8.230 nan 0.000 0.472 618 S N 0.454 116.178 115.700 0.040 0.000 2.413 618 S HA -0.192 4.277 4.470 -0.001 0.000 0.237 618 S C 1.587 176.203 174.600 0.027 0.000 1.044 618 S CA 1.841 60.056 58.200 0.026 0.000 1.024 618 S CB -0.434 62.775 63.200 0.016 0.000 0.829 618 S HN 0.673 nan 8.310 nan 0.000 0.475 619 L N -0.511 120.733 121.223 0.036 0.000 2.253 619 L HA 0.269 4.608 4.340 -0.001 0.000 0.205 619 L C 2.178 179.068 176.870 0.033 0.000 1.078 619 L CA 0.605 55.465 54.840 0.033 0.000 0.805 619 L CB -0.156 41.926 42.059 0.038 0.000 0.963 619 L HN 0.313 nan 8.230 nan 0.000 0.459 620 L N -1.585 119.662 121.223 0.041 0.000 2.575 620 L HA 0.090 4.430 4.340 -0.001 0.000 0.228 620 L C 2.122 179.011 176.870 0.032 0.000 1.075 620 L CA 0.013 54.874 54.840 0.036 0.000 0.867 620 L CB -0.005 42.076 42.059 0.036 0.000 1.097 620 L HN 0.072 nan 8.230 nan 0.000 0.485 621 E N 1.398 121.617 120.200 0.032 0.000 2.049 621 E HA -0.185 4.165 4.350 -0.001 0.000 0.198 621 E C -0.865 175.749 176.600 0.023 0.000 1.007 621 E CA 1.757 58.173 56.400 0.027 0.000 0.809 621 E CB -0.839 28.878 29.700 0.027 0.000 0.749 621 E HN 0.296 nan 8.360 nan 0.000 0.450 622 P HA -0.083 nan 4.420 nan 0.000 0.239 622 P C 0.284 177.594 177.300 0.016 0.000 1.184 622 P CA 0.954 64.064 63.100 0.016 0.000 0.760 622 P CB 0.025 31.733 31.700 0.013 0.000 0.884 623 L N -1.923 119.312 121.223 0.021 0.000 2.628 623 L HA 0.338 4.677 4.340 -0.001 0.000 0.229 623 L C 1.278 178.165 176.870 0.029 0.000 1.137 623 L CA 0.368 55.222 54.840 0.023 0.000 0.909 623 L CB -0.869 41.207 42.059 0.028 0.000 1.137 623 L HN 0.068 nan 8.230 nan 0.000 0.470 624 G N 1.310 110.127 108.800 0.029 0.000 2.198 624 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.260 624 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.260 624 G C -0.011 174.917 174.900 0.047 0.000 1.025 624 G CA 0.036 45.157 45.100 0.035 0.000 0.769 624 G HN 0.284 nan 8.290 nan 0.000 0.507 625 L N -0.400 120.849 121.223 0.043 0.000 2.307 625 L HA 0.533 4.872 4.340 -0.001 0.000 0.282 625 L C 0.582 177.470 176.870 0.029 0.000 1.051 625 L CA -0.628 54.240 54.840 0.048 0.000 0.804 625 L CB 1.544 43.627 42.059 0.039 0.000 1.197 625 L HN 0.163 nan 8.230 nan 0.000 0.431 626 Q N 2.471 122.287 119.800 0.027 0.000 2.425 626 Q HA 0.330 4.670 4.340 -0.001 0.000 0.254 626 Q C -1.231 174.713 176.000 -0.093 0.000 1.032 626 Q CA -0.615 55.166 55.803 -0.037 0.000 0.798 626 Q CB 1.683 30.364 28.738 -0.094 0.000 1.210 626 Q HN 0.622 nan 8.270 nan 0.000 0.491 627 C N 2.636 121.865 119.300 -0.119 0.000 2.499 627 C HA 0.365 4.824 4.460 -0.001 0.000 0.386 627 C C 0.684 175.471 174.990 -0.339 0.000 1.293 627 C CA -0.263 58.584 59.018 -0.285 0.000 1.884 627 C CB -0.152 27.400 27.740 -0.313 0.000 2.509 627 C HN 0.616 nan 8.230 nan 0.000 0.566 628 T N 3.859 118.162 114.554 -0.418 0.000 2.792 628 T HA 0.440 4.789 4.350 -0.001 0.000 0.280 628 T C -0.594 173.831 174.700 -0.460 0.000 0.990 628 T CA -0.090 61.826 62.100 -0.307 0.000 0.960 628 T CB 0.424 69.179 68.868 -0.187 0.000 0.939 628 T HN 0.365 nan 8.240 nan 0.000 0.439 629 F N 3.279 123.194 119.950 -0.059 0.000 2.350 629 F HA 0.445 4.972 4.527 -0.001 0.000 0.365 629 F C 0.313 176.079 175.800 -0.057 0.000 1.122 629 F CA -1.022 56.940 58.000 -0.063 0.000 1.139 629 F CB 0.089 39.027 39.000 -0.103 0.000 1.220 629 F HN 0.363 nan 8.300 nan 0.000 0.499 630 I N 2.970 123.578 120.570 0.063 0.000 2.474 630 I HA 0.084 4.253 4.170 -0.001 0.000 0.287 630 I C 0.275 176.507 176.117 0.191 0.000 1.048 630 I CA -0.257 61.077 61.300 0.057 0.000 1.383 630 I CB 0.682 38.631 38.000 -0.086 0.000 1.412 630 I HN 0.441 nan 8.210 nan 0.000 0.531 631 N N 4.416 123.265 118.700 0.248 0.000 2.406 631 N HA 0.165 4.904 4.740 -0.001 0.000 0.251 631 N C -0.454 175.364 175.510 0.513 0.000 1.069 631 N CA -0.312 52.980 53.050 0.402 0.000 0.947 631 N CB 0.503 39.257 38.487 0.445 0.000 1.111 631 N HN 0.584 nan 8.380 nan 0.000 0.497 632 D N 2.480 123.202 120.400 0.536 0.000 2.650 632 D HA 0.036 4.675 4.640 -0.001 0.000 0.265 632 D C 0.518 177.097 176.300 0.465 0.000 1.339 632 D CA -0.453 53.878 54.000 0.552 0.000 0.816 632 D CB -0.779 40.312 40.800 0.484 0.000 1.091 632 D HN 0.399 nan 8.370 nan 0.000 0.483 633 F N 0.484 120.594 119.950 0.267 0.000 2.074 633 F HA 0.079 4.605 4.527 -0.001 0.000 0.293 633 F C 1.237 176.960 175.800 -0.128 0.000 1.116 633 F CA 1.252 59.280 58.000 0.046 0.000 1.212 633 F CB -0.021 38.832 39.000 -0.244 0.000 0.998 633 F HN -0.075 nan 8.300 nan 0.000 0.471 634 F N 0.140 120.358 119.950 0.447 0.000 2.512 634 F HA -0.014 4.512 4.527 -0.001 0.000 0.296 634 F C 2.612 178.444 175.800 0.054 0.000 1.110 634 F CA 1.261 59.396 58.000 0.226 0.000 1.446 634 F CB -1.369 37.749 39.000 0.196 0.000 1.092 634 F HN 0.044 nan 8.300 nan 0.000 0.554 635 T N -3.615 111.054 114.554 0.193 0.000 2.978 635 T HA -0.065 4.285 4.350 -0.001 0.000 0.262 635 T C 1.376 175.806 174.700 -0.451 0.000 1.063 635 T CA 1.396 63.430 62.100 -0.110 0.000 1.140 635 T CB -0.351 68.511 68.868 -0.011 0.000 0.886 635 T HN 0.296 nan 8.240 nan 0.000 0.470 636 Y N -1.175 119.115 120.300 -0.017 0.000 2.965 636 Y HA 0.257 4.806 4.550 -0.001 0.000 0.242 636 Y C 2.321 178.361 175.900 0.233 0.000 1.078 636 Y CA -0.202 57.932 58.100 0.056 0.000 1.288 636 Y CB -0.163 38.287 38.460 -0.017 0.000 1.459 636 Y HN 0.212 nan 8.280 nan 0.000 0.438 637 H N 1.817 120.971 119.070 0.139 0.000 2.352 637 H HA -0.137 4.419 4.556 -0.001 0.000 0.299 637 H C 1.751 176.987 175.328 -0.153 0.000 1.097 637 H CA 2.434 58.446 56.048 -0.060 0.000 1.311 637 H CB -0.423 29.149 29.762 -0.316 0.000 1.377 637 H HN 0.457 nan 8.280 nan 0.000 0.504 638 I N -2.302 117.993 120.570 -0.458 0.000 3.291 638 I HA 0.120 4.289 4.170 -0.001 0.000 0.279 638 I C 1.241 177.327 176.117 -0.052 0.000 1.294 638 I CA 0.757 61.794 61.300 -0.439 0.000 1.428 638 I CB -0.016 37.800 38.000 -0.308 0.000 1.070 638 I HN -0.067 nan 8.210 nan 0.000 0.478 639 R N -0.022 120.551 120.500 0.121 0.000 2.393 639 R HA 0.136 4.475 4.340 -0.001 0.000 0.244 639 R C -0.393 176.187 176.300 0.467 0.000 0.920 639 R CA -0.127 56.166 56.100 0.321 0.000 1.076 639 R CB -0.652 29.835 30.300 0.312 0.000 1.119 639 R HN 0.477 nan 8.270 nan 0.000 0.524 640 H N -3.904 115.155 119.070 -0.018 0.000 3.164 640 H HA -0.087 4.468 4.556 -0.001 0.000 0.223 640 H C 0.285 175.440 175.328 -0.289 0.000 1.177 640 H CA 0.661 56.616 56.048 -0.154 0.000 1.120 640 H CB -1.599 28.039 29.762 -0.206 0.000 1.192 640 H HN 0.381 nan 8.280 nan 0.000 0.313 641 G N -1.494 107.277 108.800 -0.048 0.000 2.645 641 G HA2 0.635 4.594 3.960 -0.001 0.000 0.292 641 G HA3 0.635 4.594 3.960 -0.001 0.000 0.292 641 G C -0.906 174.222 174.900 0.380 0.000 1.415 641 G CA -0.676 44.352 45.100 -0.120 0.000 0.785 641 G HN 0.046 nan 8.290 nan 0.000 0.483 642 E N -1.373 119.054 120.200 0.380 0.000 2.475 642 E HA 0.412 4.761 4.350 -0.001 0.000 0.221 642 E C 1.746 178.504 176.600 0.264 0.000 0.793 642 E CA -0.716 55.886 56.400 0.337 0.000 0.922 642 E CB 0.505 30.350 29.700 0.242 0.000 1.778 642 E HN 0.133 nan 8.360 nan 0.000 0.392 643 V N 1.215 121.275 119.914 0.244 0.000 2.287 643 V HA -0.277 3.842 4.120 -0.001 0.000 0.248 643 V C 2.368 178.612 176.094 0.250 0.000 1.053 643 V CA 2.292 64.755 62.300 0.272 0.000 1.027 643 V CB -0.766 31.187 31.823 0.217 0.000 0.646 643 V HN 0.593 nan 8.190 nan 0.000 0.447 644 H N 0.314 119.486 119.070 0.169 0.000 2.389 644 H HA -0.103 4.452 4.556 -0.001 0.000 0.299 644 H C 2.206 177.661 175.328 0.211 0.000 1.081 644 H CA 1.727 57.874 56.048 0.165 0.000 1.345 644 H CB 0.158 30.002 29.762 0.136 0.000 1.393 644 H HN 0.417 nan 8.280 nan 0.000 0.520 645 A N 0.119 123.133 122.820 0.324 0.000 2.066 645 A HA 0.007 4.327 4.320 -0.001 0.000 0.218 645 A C 2.459 180.351 177.584 0.513 0.000 1.157 645 A CA 1.076 53.343 52.037 0.384 0.000 0.670 645 A CB -0.642 18.556 19.000 0.331 0.000 0.804 645 A HN 0.496 nan 8.150 nan 0.000 0.453 646 G N -0.685 108.299 108.800 0.307 0.000 3.233 646 G HA2 0.370 4.330 3.960 -0.001 0.000 0.227 646 G HA3 0.370 4.330 3.960 -0.001 0.000 0.227 646 G C 0.509 175.481 174.900 0.120 0.000 1.175 646 G CA 0.936 46.090 45.100 0.089 0.000 0.781 646 G HN 0.701 nan 8.290 nan 0.000 0.542 647 T N -3.280 111.350 114.554 0.127 0.000 2.787 647 T HA 0.619 4.968 4.350 -0.001 0.000 0.297 647 T C -1.194 173.556 174.700 0.083 0.000 1.221 647 T CA -1.003 61.169 62.100 0.119 0.000 1.006 647 T CB 2.703 71.640 68.868 0.115 0.000 1.328 647 T HN 0.039 nan 8.240 nan 0.000 0.509 648 N N -1.177 117.631 118.700 0.181 0.000 2.591 648 N HA 0.649 5.389 4.740 -0.001 0.000 0.263 648 N C -2.046 173.670 175.510 0.342 0.000 1.308 648 N CA -0.814 52.370 53.050 0.224 0.000 0.837 648 N CB 2.409 41.033 38.487 0.229 0.000 1.548 648 N HN 0.622 nan 8.380 nan 0.000 0.493 649 V N 1.427 121.517 119.914 0.293 0.000 2.638 649 V HA 0.497 4.617 4.120 -0.001 0.000 0.306 649 V C -0.281 175.997 176.094 0.308 0.000 1.052 649 V CA -0.758 61.703 62.300 0.267 0.000 0.885 649 V CB 1.679 33.593 31.823 0.151 0.000 0.999 649 V HN 0.600 nan 8.190 nan 0.000 0.424 650 R N 3.631 124.333 120.500 0.336 0.000 2.298 650 R HA 0.541 4.880 4.340 -0.001 0.000 0.310 650 R C -0.404 175.964 176.300 0.113 0.000 1.068 650 R CA -0.264 55.996 56.100 0.268 0.000 0.957 650 R CB 0.983 31.461 30.300 0.297 0.000 1.003 650 R HN 0.698 nan 8.270 nan 0.000 0.454 651 R N 1.706 122.235 120.500 0.049 0.000 2.892 651 R HA 0.309 4.649 4.340 -0.001 0.000 0.265 651 R C -0.357 175.866 176.300 -0.129 0.000 1.025 651 R CA -1.068 55.006 56.100 -0.043 0.000 0.982 651 R CB 1.595 31.856 30.300 -0.066 0.000 1.185 651 R HN 0.302 nan 8.270 nan 0.000 0.484 652 K N 2.442 122.736 120.400 -0.177 0.000 2.451 652 K HA 0.108 4.427 4.320 -0.001 0.000 0.280 652 K C -2.259 174.094 176.600 -0.412 0.000 1.020 652 K CA -1.174 54.965 56.287 -0.246 0.000 1.008 652 K CB 0.505 32.886 32.500 -0.200 0.000 0.917 652 K HN 0.219 nan 8.250 nan 0.000 0.478 653 P HA 0.028 nan 4.420 nan 0.000 0.272 653 P C -0.596 176.379 177.300 -0.542 0.000 1.223 653 P CA -0.086 62.453 63.100 -0.934 0.000 0.784 653 P CB 0.270 31.087 31.700 -1.472 0.000 0.923 654 F N 0.351 120.174 119.950 -0.213 0.000 2.602 654 F HA -0.051 4.476 4.527 0.000 0.000 0.367 654 F C 2.032 177.819 175.800 -0.022 0.000 1.126 654 F CA 0.852 58.840 58.000 -0.020 0.000 1.321 654 F CB -0.173 38.898 39.000 0.118 0.000 1.094 654 F HN 0.306 nan 8.300 nan 0.000 0.594 655 S N 2.211 118.023 115.700 0.187 0.000 2.406 655 S HA -0.129 4.341 4.470 -0.001 0.000 0.228 655 S C 0.496 175.159 174.600 0.104 0.000 1.020 655 S CA 0.151 58.409 58.200 0.096 0.000 0.965 655 S CB -0.293 62.949 63.200 0.070 0.000 0.798 655 S HN 0.471 nan 8.310 nan 0.000 0.488 656 F N 3.502 123.481 119.950 0.049 0.000 2.578 656 F HA 0.118 4.643 4.527 -0.003 0.000 0.376 656 F C 0.235 175.948 175.800 -0.144 0.000 1.085 656 F CA -0.357 57.610 58.000 -0.055 0.000 1.260 656 F CB 0.484 39.451 39.000 -0.055 0.000 1.095 656 F HN -0.216 nan 8.300 nan 0.000 0.573 657 K N 8.686 128.709 120.400 -0.628 0.000 2.285 657 K HA -0.043 4.277 4.320 -0.001 0.000 0.286 657 K C 1.033 177.180 176.600 -0.756 0.000 1.072 657 K CA -0.354 55.336 56.287 -0.995 0.000 0.913 657 K CB 0.338 31.793 32.500 -1.742 0.000 1.067 657 K HN 0.872 nan 8.250 nan 0.000 0.479 658 W N 3.485 124.637 121.300 -0.246 0.000 2.331 658 W HA -0.248 4.412 4.660 -0.001 0.000 0.291 658 W C 0.965 177.665 176.519 0.302 0.000 1.214 658 W CA 0.928 58.353 57.345 0.133 0.000 1.228 658 W CB -1.052 28.516 29.460 0.181 0.000 1.135 658 W HN 0.746 nan 8.180 nan 0.000 0.537 659 W N 2.106 123.028 121.300 -0.629 0.000 2.699 659 W HA 0.096 4.755 4.660 -0.003 0.000 0.249 659 W C 1.218 177.731 176.519 -0.010 0.000 1.280 659 W CA 0.867 57.880 57.345 -0.554 0.000 1.345 659 W CB -1.757 27.039 29.460 -1.107 0.000 1.128 659 W HN -0.271 nan 8.180 nan 0.000 0.642 660 N N 0.816 119.409 118.700 -0.178 0.000 2.461 660 N HA 0.022 4.761 4.740 -0.001 0.000 0.188 660 N C 0.370 176.053 175.510 0.287 0.000 1.134 660 N CA 0.363 53.405 53.050 -0.013 0.000 0.878 660 N CB -0.247 37.983 38.487 -0.428 0.000 0.972 660 N HN 0.324 nan 8.380 nan 0.000 0.456 661 M N 1.037 120.910 119.600 0.455 0.000 2.247 661 M HA 0.131 4.610 4.480 -0.001 0.000 0.326 661 M C -0.276 176.168 176.300 0.240 0.000 1.134 661 M CA -0.348 55.145 55.300 0.321 0.000 1.136 661 M CB 1.032 33.776 32.600 0.242 0.000 1.454 661 M HN -0.159 nan 8.290 nan 0.000 0.467 662 V N 2.532 122.464 119.914 0.029 0.000 2.235 662 V HA 0.498 4.617 4.120 -0.001 0.000 0.266 662 V C -2.397 173.531 176.094 -0.277 0.000 1.055 662 V CA -1.480 60.779 62.300 -0.069 0.000 0.844 662 V CB -0.822 31.002 31.823 0.002 0.000 1.097 662 V HN 0.718 nan 8.190 nan 0.000 0.453 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.828 63.100 -0.454 0.000 0.800 663 P CB 0.000 31.339 31.700 -0.601 0.000 0.726