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 1h54_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRIFEVQPW NVITHTFDPK DKRLQESMTS LGNGYMGMRG DFEEGYSGDS DATA SEQUENCE LQGIYLGGVW YPDKTRVGWW KNGYPKYFGK VVNAVNFIKL PIEINGEPVD DATA SEQUENCE LAKDKISDFT LDLDMHQGVL NRSFVVERGA VRVALNFQRF LSVAQPELSV DATA SEQUENCE QKVTVKNLSD AEVDVTLKPS IDADVMNEEA NYDERFWDVL ATDQQADRGS DATA SEQUENCE IVAKTTPNPF GTPRFTSGME MRLVTDLKNV AITQPNEKEV TTAYTGKLAP DATA SEQUENCE QASAELEKRV IVVTSRDYDT QESLTAAMHQ LSDKVAQSSY EDLLNAHTAI DATA SEQUENCE WAQRWEKSDV VIKGDDESQQ GIRFNLFQLF STYYGEDARL NIGPKGFTGE DATA SEQUENCE KYGGATYWDT EAFAFPVYLG ITDPKVTRNL LMYRYKQLDG AYINAQEQGL DATA SEQUENCE KGALFPMVTF DGIECHNEWE ITFEEIHRNG DIAFAIYNYT RYTGDDSYVL DATA SEQUENCE HEGAKVLTEI SRFWADRVHF SKRNNQYMIH GVTGADEYEN NVDNNWDTNM DATA SEQUENCE LAQWTLKYTL EILGKVDQDT AKQLDVSDEE KTKWQDIVDR MYLPYDKDLN DATA SEQUENCE IFVQHDGFLD KDIEPVSSIP ADQRPINQNW SWDKILRSPY IKQGDVLQGI DATA SEQUENCE WDFIDDYTPE QKKANFDFYE PLTVHESSLS PAIHSVLAAD LHYEDKAVEL DATA SEQUENCE YSRTARLDLD NYNNDTTDGL HITSMTGAWI AVVQGFAGMR VRDGQLHYAP DATA SEQUENCE FLPKTWTSYT FRQVFRDRLI EVSVHADGPH FKLLSGEPLT IDVAGAAAAA DATA SEQUENCE AAAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.221 176.300 -0.132 0.000 1.140 1 M CA 0.000 55.192 55.300 -0.180 0.000 0.988 1 M CB 0.000 32.531 32.600 -0.115 0.000 1.302 2 K N 1.051 121.381 120.400 -0.117 0.000 2.565 2 K HA 0.542 4.863 4.320 0.002 0.000 0.251 2 K C -1.254 175.314 176.600 -0.054 0.000 0.956 2 K CA -0.346 55.894 56.287 -0.078 0.000 0.809 2 K CB 2.960 35.425 32.500 -0.059 0.000 1.267 2 K HN 0.144 nan 8.250 nan 0.000 0.438 3 R N 6.227 126.700 120.500 -0.045 0.000 2.275 3 R HA 0.292 4.634 4.340 0.002 0.000 0.326 3 R C 0.534 176.829 176.300 -0.008 0.000 0.973 3 R CA -0.334 55.763 56.100 -0.006 0.000 0.854 3 R CB 0.315 30.607 30.300 -0.014 0.000 1.156 3 R HN 0.784 nan 8.270 nan 0.000 0.487 4 I N 0.373 120.947 120.570 0.007 0.000 3.875 4 I HA 0.369 4.540 4.170 0.002 0.000 0.329 4 I C -1.105 174.818 176.117 -0.324 0.000 1.295 4 I CA -0.292 60.916 61.300 -0.153 0.000 1.129 4 I CB 0.226 38.082 38.000 -0.240 0.000 1.008 4 I HN 0.209 nan 8.210 nan 0.000 0.413 5 F N 1.261 121.183 119.950 -0.047 0.000 2.546 5 F HA 0.511 5.039 4.527 0.002 0.000 0.320 5 F C 0.615 176.382 175.800 -0.054 0.000 1.076 5 F CA -0.803 57.164 58.000 -0.054 0.000 0.928 5 F CB 1.363 40.306 39.000 -0.096 0.000 1.189 5 F HN -0.086 nan 8.300 nan 0.000 0.465 6 E N 0.433 120.717 120.200 0.140 0.000 2.392 6 E HA 0.313 4.664 4.350 0.002 0.000 0.256 6 E C -1.043 175.589 176.600 0.053 0.000 1.145 6 E CA -0.411 56.033 56.400 0.075 0.000 0.929 6 E CB 1.071 30.808 29.700 0.062 0.000 0.998 6 E HN 0.221 nan 8.360 nan 0.000 0.442 7 V N 3.191 123.120 119.914 0.026 0.000 2.383 7 V HA 0.170 4.291 4.120 0.002 0.000 0.275 7 V C -0.119 175.968 176.094 -0.011 0.000 1.036 7 V CA -0.244 62.054 62.300 -0.002 0.000 0.889 7 V CB 0.888 32.710 31.823 -0.001 0.000 0.985 7 V HN 0.515 nan 8.190 nan 0.000 0.459 8 Q N 4.984 124.764 119.800 -0.034 0.000 2.418 8 Q HA 0.383 4.724 4.340 0.002 0.000 0.282 8 Q C -2.268 173.681 176.000 -0.085 0.000 1.044 8 Q CA -1.810 53.972 55.803 -0.035 0.000 0.813 8 Q CB 2.372 31.106 28.738 -0.006 0.000 1.428 8 Q HN 0.235 nan 8.270 nan 0.000 0.402 9 P HA -0.092 nan 4.420 nan 0.000 0.215 9 P C 0.351 177.416 177.300 -0.392 0.000 1.157 9 P CA 1.565 64.513 63.100 -0.254 0.000 0.868 9 P CB 0.174 31.752 31.700 -0.204 0.000 0.788 10 W N -1.412 119.791 121.300 -0.161 0.000 2.870 10 W HA 0.233 4.894 4.660 0.002 0.000 0.358 10 W C 0.248 176.650 176.519 -0.195 0.000 1.043 10 W CA -0.169 57.049 57.345 -0.212 0.000 1.692 10 W CB 0.431 29.753 29.460 -0.231 0.000 1.100 10 W HN -0.177 nan 8.180 nan 0.000 0.557 11 N N 0.168 118.892 118.700 0.040 0.000 2.229 11 N HA 0.374 5.116 4.740 0.002 0.000 0.298 11 N C -1.490 173.977 175.510 -0.072 0.000 1.114 11 N CA -0.562 52.476 53.050 -0.019 0.000 0.776 11 N CB 3.174 41.664 38.487 0.004 0.000 1.501 11 N HN -0.448 nan 8.380 nan 0.000 0.474 12 V N 2.858 122.699 119.914 -0.122 0.000 2.257 12 V HA 0.425 4.547 4.120 0.002 0.000 0.269 12 V C -0.002 176.065 176.094 -0.045 0.000 1.040 12 V CA -0.448 61.717 62.300 -0.225 0.000 0.813 12 V CB 0.422 31.926 31.823 -0.531 0.000 1.065 12 V HN 0.560 nan 8.190 nan 0.000 0.457 13 I N 3.414 124.050 120.570 0.110 0.000 2.785 13 I HA 0.817 4.988 4.170 0.002 0.000 0.302 13 I C -0.503 175.701 176.117 0.145 0.000 1.069 13 I CA 0.003 61.390 61.300 0.144 0.000 1.045 13 I CB 2.683 40.674 38.000 -0.015 0.000 1.236 13 I HN 0.578 nan 8.210 nan 0.000 0.429 14 T N 3.493 118.029 114.554 -0.030 0.000 2.868 14 T HA 0.468 4.819 4.350 0.002 0.000 0.306 14 T C -0.567 173.972 174.700 -0.268 0.000 1.224 14 T CA -0.387 61.616 62.100 -0.162 0.000 1.012 14 T CB 1.014 69.713 68.868 -0.282 0.000 1.221 14 T HN 0.710 nan 8.240 nan 0.000 0.499 15 H N 1.549 120.720 119.070 0.168 0.000 2.662 15 H HA 0.323 4.880 4.556 0.002 0.000 0.268 15 H C -0.157 175.376 175.328 0.341 0.000 1.152 15 H CA -0.123 56.080 56.048 0.258 0.000 1.072 15 H CB 0.664 30.512 29.762 0.144 0.000 1.660 15 H HN 0.391 nan 8.280 nan 0.000 0.584 16 T N 1.436 116.178 114.554 0.313 0.000 2.792 16 T HA 0.292 4.643 4.350 0.002 0.000 0.280 16 T C -1.070 173.581 174.700 -0.082 0.000 0.990 16 T CA -0.463 61.700 62.100 0.104 0.000 0.960 16 T CB 1.344 70.200 68.868 -0.021 0.000 0.939 16 T HN 0.096 nan 8.240 nan 0.000 0.439 17 F N 3.547 123.217 119.950 -0.468 0.000 2.477 17 F HA 0.568 5.096 4.527 0.002 0.000 0.335 17 F C -0.915 174.675 175.800 -0.350 0.000 1.130 17 F CA -1.000 56.585 58.000 -0.691 0.000 0.948 17 F CB 1.162 39.361 39.000 -1.335 0.000 1.154 17 F HN 0.354 nan 8.300 nan 0.000 0.439 18 D N 8.141 127.871 120.400 -1.116 0.000 2.686 18 D HA 0.341 4.982 4.640 0.002 0.000 0.249 18 D C -2.215 173.561 176.300 -0.873 0.000 1.260 18 D CA -2.057 51.481 54.000 -0.770 0.000 0.910 18 D CB 2.849 43.405 40.800 -0.406 0.000 1.323 18 D HN 0.205 nan 8.370 nan 0.000 0.561 19 P HA -0.180 nan 4.420 nan 0.000 0.217 19 P C 1.238 178.415 177.300 -0.205 0.000 1.151 19 P CA 2.012 64.933 63.100 -0.298 0.000 0.849 19 P CB 0.324 31.993 31.700 -0.052 0.000 0.787 20 K N -0.183 120.094 120.400 -0.205 0.000 2.280 20 K HA -0.144 4.177 4.320 0.002 0.000 0.202 20 K C 1.368 177.881 176.600 -0.145 0.000 1.047 20 K CA 1.785 57.988 56.287 -0.140 0.000 0.942 20 K CB -1.259 31.168 32.500 -0.123 0.000 0.739 20 K HN 0.246 nan 8.250 nan 0.000 0.457 21 D N -0.983 119.289 120.400 -0.212 0.000 2.501 21 D HA 0.097 4.739 4.640 0.002 0.000 0.226 21 D C 1.120 177.316 176.300 -0.173 0.000 1.198 21 D CA -0.098 53.800 54.000 -0.170 0.000 0.830 21 D CB 0.941 41.634 40.800 -0.179 0.000 1.014 21 D HN 0.264 nan 8.370 nan 0.000 0.496 22 K N 1.564 121.841 120.400 -0.205 0.000 2.001 22 K HA -0.103 4.219 4.320 0.002 0.000 0.214 22 K C 1.913 178.433 176.600 -0.133 0.000 1.050 22 K CA 1.346 57.501 56.287 -0.219 0.000 0.934 22 K CB 0.121 32.483 32.500 -0.231 0.000 0.718 22 K HN -0.011 nan 8.250 nan 0.000 0.443 23 R N -0.161 120.292 120.500 -0.078 0.000 2.091 23 R HA -0.146 4.195 4.340 0.002 0.000 0.238 23 R C 2.311 178.621 176.300 0.017 0.000 1.136 23 R CA 1.456 57.538 56.100 -0.029 0.000 0.959 23 R CB -0.613 29.681 30.300 -0.011 0.000 0.856 23 R HN 0.195 nan 8.270 nan 0.000 0.437 24 L N 1.307 122.543 121.223 0.021 0.000 2.017 24 L HA -0.194 4.147 4.340 0.002 0.000 0.208 24 L C 2.426 179.388 176.870 0.154 0.000 1.073 24 L CA 1.786 56.672 54.840 0.078 0.000 0.745 24 L CB -0.550 41.541 42.059 0.054 0.000 0.894 24 L HN 0.146 nan 8.230 nan 0.000 0.432 25 Q N -0.620 119.256 119.800 0.127 0.000 2.084 25 Q HA -0.243 4.098 4.340 0.002 0.000 0.202 25 Q C 2.045 178.207 176.000 0.271 0.000 0.978 25 Q CA 2.070 58.028 55.803 0.258 0.000 0.844 25 Q CB -0.069 28.734 28.738 0.109 0.000 0.898 25 Q HN 0.663 nan 8.270 nan 0.000 0.426 26 E N -0.394 119.878 120.200 0.120 0.000 2.110 26 E HA -0.149 4.202 4.350 0.002 0.000 0.193 26 E C 2.150 178.845 176.600 0.159 0.000 0.988 26 E CA 1.223 57.685 56.400 0.103 0.000 0.804 26 E CB 0.029 29.727 29.700 -0.004 0.000 0.745 26 E HN 0.222 nan 8.360 nan 0.000 0.458 27 S N 0.820 116.613 115.700 0.155 0.000 2.356 27 S HA -0.176 4.296 4.470 0.002 0.000 0.223 27 S C 1.914 176.651 174.600 0.227 0.000 1.032 27 S CA 1.150 59.454 58.200 0.172 0.000 1.005 27 S CB -0.146 63.142 63.200 0.146 0.000 0.867 27 S HN 0.129 nan 8.310 nan 0.000 0.449 28 M N 1.699 121.436 119.600 0.228 0.000 2.279 28 M HA -0.058 4.423 4.480 0.002 0.000 0.264 28 M C 1.567 177.980 176.300 0.189 0.000 1.062 28 M CA 1.184 56.586 55.300 0.171 0.000 1.099 28 M CB -0.633 31.849 32.600 -0.197 0.000 1.394 28 M HN 0.396 nan 8.290 nan 0.000 0.426 29 T N -2.712 111.971 114.554 0.215 0.000 3.251 29 T HA 0.329 4.681 4.350 0.002 0.000 0.259 29 T C 0.465 175.326 174.700 0.269 0.000 0.998 29 T CA -0.458 61.785 62.100 0.238 0.000 0.905 29 T CB -0.465 68.567 68.868 0.274 0.000 1.067 29 T HN 0.039 nan 8.240 nan 0.000 0.569 30 S N 1.329 117.197 115.700 0.279 0.000 2.593 30 S HA 0.661 5.133 4.470 0.002 0.000 0.269 30 S C -0.076 174.711 174.600 0.311 0.000 1.334 30 S CA -0.580 57.782 58.200 0.270 0.000 1.015 30 S CB 0.585 63.931 63.200 0.243 0.000 0.912 30 S HN 0.461 nan 8.310 nan 0.000 0.541 31 L N 0.268 121.673 121.223 0.304 0.000 2.359 31 L HA 0.899 5.241 4.340 0.002 0.000 0.256 31 L C 0.166 177.232 176.870 0.328 0.000 1.026 31 L CA -0.723 54.313 54.840 0.328 0.000 0.828 31 L CB 2.460 44.730 42.059 0.352 0.000 1.406 31 L HN 0.831 nan 8.230 nan 0.000 0.413 32 G N -0.191 108.811 108.800 0.337 0.000 2.579 32 G HA2 0.271 4.233 3.960 0.002 0.000 0.292 32 G HA3 0.271 4.233 3.960 0.002 0.000 0.292 32 G C -1.370 173.768 174.900 0.397 0.000 1.484 32 G CA -0.480 44.862 45.100 0.405 0.000 0.813 32 G HN 0.834 nan 8.290 nan 0.000 0.515 33 N N -0.279 118.651 118.700 0.382 0.000 2.377 33 N HA 0.375 5.117 4.740 0.002 0.000 0.259 33 N C 1.282 176.959 175.510 0.278 0.000 1.332 33 N CA 0.295 53.526 53.050 0.302 0.000 0.877 33 N CB 1.337 39.998 38.487 0.289 0.000 1.299 33 N HN 1.689 nan 8.380 nan 0.000 0.501 34 G N 1.587 110.624 108.800 0.395 0.000 2.550 34 G HA2 -0.490 3.472 3.960 0.002 0.000 0.233 34 G HA3 -0.490 3.472 3.960 0.002 0.000 0.233 34 G C 0.558 175.732 174.900 0.456 0.000 1.170 34 G CA 0.825 46.170 45.100 0.409 0.000 0.693 34 G HN 0.476 nan 8.290 nan 0.000 0.512 35 Y N 2.313 122.734 120.300 0.201 0.000 2.263 35 Y HA 0.471 5.022 4.550 0.002 0.000 0.292 35 Y C 1.427 177.328 175.900 0.002 0.000 1.130 35 Y CA 2.021 60.192 58.100 0.119 0.000 1.179 35 Y CB 0.087 38.593 38.460 0.077 0.000 0.998 35 Y HN 0.666 nan 8.280 nan 0.000 0.532 36 M N -2.004 117.597 119.600 0.002 0.000 2.833 36 M HA 0.680 5.161 4.480 0.002 0.000 0.270 36 M C -0.855 175.267 176.300 -0.296 0.000 1.209 36 M CA -0.550 54.509 55.300 -0.401 0.000 0.826 36 M CB 1.748 34.315 32.600 -0.054 0.000 1.657 36 M HN -0.043 nan 8.290 nan 0.000 0.492 37 G N 0.908 109.490 108.800 -0.362 0.000 2.608 37 G HA2 0.806 4.767 3.960 0.002 0.000 0.291 37 G HA3 0.806 4.767 3.960 0.002 0.000 0.291 37 G C -1.732 173.325 174.900 0.262 0.000 1.425 37 G CA -0.715 44.498 45.100 0.189 0.000 0.787 37 G HN 1.312 nan 8.290 nan 0.000 0.484 38 M N -0.920 118.871 119.600 0.319 0.000 2.643 38 M HA 0.634 5.116 4.480 0.002 0.000 0.276 38 M C -1.115 175.335 176.300 0.250 0.000 1.200 38 M CA -1.024 54.419 55.300 0.238 0.000 0.863 38 M CB 1.840 34.472 32.600 0.053 0.000 1.711 38 M HN 0.491 nan 8.290 nan 0.000 0.492 39 R N 0.383 121.015 120.500 0.220 0.000 2.707 39 R HA 0.429 4.771 4.340 0.002 0.000 0.270 39 R C 1.057 177.448 176.300 0.152 0.000 1.083 39 R CA 0.336 56.552 56.100 0.194 0.000 1.182 39 R CB 0.377 30.774 30.300 0.162 0.000 1.084 39 R HN 0.949 nan 8.270 nan 0.000 0.528 40 G N 1.482 110.380 108.800 0.163 0.000 3.353 40 G HA2 -0.052 3.909 3.960 0.002 0.000 0.247 40 G HA3 -0.052 3.909 3.960 0.002 0.000 0.247 40 G C -0.395 174.590 174.900 0.141 0.000 1.025 40 G CA -0.230 44.980 45.100 0.183 0.000 1.863 40 G HN 0.498 nan 8.290 nan 0.000 0.635 41 D N 0.387 120.833 120.400 0.077 0.000 2.399 41 D HA 0.059 4.700 4.640 0.002 0.000 0.241 41 D C 0.298 176.709 176.300 0.186 0.000 1.133 41 D CA 0.360 54.368 54.000 0.014 0.000 0.890 41 D CB 1.007 41.800 40.800 -0.013 0.000 1.201 41 D HN 0.227 nan 8.370 nan 0.000 0.432 42 F N 1.941 121.844 119.950 -0.077 0.000 2.471 42 F HA -0.009 4.519 4.527 0.002 0.000 0.365 42 F C 2.119 177.882 175.800 -0.062 0.000 1.095 42 F CA -0.852 57.080 58.000 -0.114 0.000 1.174 42 F CB 0.863 39.798 39.000 -0.109 0.000 1.105 42 F HN 0.355 nan 8.300 nan 0.000 0.535 43 E N 3.048 123.304 120.200 0.092 0.000 2.209 43 E HA -0.242 4.110 4.350 0.002 0.000 0.196 43 E C 1.324 178.004 176.600 0.132 0.000 0.993 43 E CA 1.329 57.785 56.400 0.093 0.000 0.819 43 E CB -0.433 29.328 29.700 0.103 0.000 0.745 43 E HN 0.737 nan 8.360 nan 0.000 0.477 44 E N 2.017 122.315 120.200 0.164 0.000 2.511 44 E HA 0.066 4.417 4.350 0.002 0.000 0.196 44 E C 0.800 177.506 176.600 0.178 0.000 1.066 44 E CA 0.827 57.343 56.400 0.193 0.000 0.871 44 E CB -0.155 29.698 29.700 0.254 0.000 0.863 44 E HN 0.250 nan 8.360 nan 0.000 0.520 45 G N 0.347 109.262 108.800 0.192 0.000 2.619 45 G HA2 -0.082 3.880 3.960 0.002 0.000 0.686 45 G HA3 -0.082 3.880 3.960 0.002 0.000 0.686 45 G C -1.624 173.449 174.900 0.289 0.000 1.256 45 G CA -0.399 44.812 45.100 0.185 0.000 0.826 45 G HN 0.316 nan 8.290 nan 0.000 0.619 46 Y N 0.004 120.344 120.300 0.066 0.000 2.314 46 Y HA 0.500 5.051 4.550 0.002 0.000 0.317 46 Y C 0.817 176.730 175.900 0.021 0.000 1.234 46 Y CA 0.283 58.415 58.100 0.053 0.000 1.111 46 Y CB 1.260 39.725 38.460 0.009 0.000 1.283 46 Y HN 1.395 nan 8.280 nan 0.000 0.418 47 S N 2.021 117.508 115.700 -0.355 0.000 2.575 47 S HA 0.391 4.863 4.470 0.002 0.000 0.215 47 S C 0.749 175.154 174.600 -0.325 0.000 0.966 47 S CA 0.241 58.291 58.200 -0.250 0.000 0.911 47 S CB 0.179 63.277 63.200 -0.169 0.000 0.780 47 S HN 0.871 nan 8.310 nan 0.000 0.514 48 G N 0.831 109.211 108.800 -0.700 0.000 2.532 48 G HA2 0.410 4.371 3.960 0.002 0.000 0.291 48 G HA3 0.410 4.371 3.960 0.002 0.000 0.291 48 G C -1.010 173.929 174.900 0.065 0.000 1.349 48 G CA -0.752 44.147 45.100 -0.336 0.000 1.038 48 G HN 0.301 nan 8.290 nan 0.000 0.518 49 D N -0.975 119.497 120.400 0.121 0.000 2.487 49 D HA 0.363 5.005 4.640 0.002 0.000 0.243 49 D C 0.114 176.517 176.300 0.171 0.000 1.154 49 D CA 0.984 55.051 54.000 0.111 0.000 0.876 49 D CB 0.488 41.318 40.800 0.051 0.000 1.161 49 D HN 0.419 nan 8.370 nan 0.000 0.478 50 S N 3.677 119.438 115.700 0.101 0.000 2.578 50 S HA 0.343 4.814 4.470 0.002 0.000 0.272 50 S C -2.112 172.500 174.600 0.020 0.000 1.145 50 S CA -1.088 57.133 58.200 0.036 0.000 0.835 50 S CB 0.642 63.876 63.200 0.056 0.000 1.104 50 S HN 0.457 nan 8.310 nan 0.000 0.458 51 L N 3.723 124.946 121.223 -0.000 0.000 2.316 51 L HA 0.553 4.895 4.340 0.002 0.000 0.280 51 L C -0.529 176.353 176.870 0.019 0.000 1.006 51 L CA -0.453 54.401 54.840 0.023 0.000 0.836 51 L CB 1.318 43.403 42.059 0.043 0.000 1.221 51 L HN 0.970 nan 8.230 nan 0.000 0.418 52 Q N 3.727 123.533 119.800 0.010 0.000 2.296 52 Q HA 0.547 4.888 4.340 0.002 0.000 0.263 52 Q C -0.531 175.446 176.000 -0.038 0.000 1.026 52 Q CA -0.026 55.766 55.803 -0.019 0.000 0.912 52 Q CB 1.348 30.072 28.738 -0.023 0.000 1.198 52 Q HN 0.739 nan 8.270 nan 0.000 0.407 53 G N 4.651 113.401 108.800 -0.083 0.000 2.618 53 G HA2 0.599 4.561 3.960 0.002 0.000 0.280 53 G HA3 0.599 4.561 3.960 0.002 0.000 0.280 53 G C -1.302 173.291 174.900 -0.511 0.000 1.458 53 G CA -0.488 44.451 45.100 -0.269 0.000 1.224 53 G HN 0.619 nan 8.290 nan 0.000 0.576 54 I N 1.881 121.953 120.570 -0.831 0.000 2.466 54 I HA 0.457 4.628 4.170 0.002 0.000 0.289 54 I C -1.215 174.475 176.117 -0.711 0.000 1.026 54 I CA -0.968 59.993 61.300 -0.565 0.000 1.078 54 I CB 2.208 39.966 38.000 -0.405 0.000 1.249 54 I HN 0.424 nan 8.210 nan 0.000 0.429 55 Y N 5.601 125.920 120.300 0.032 0.000 2.442 55 Y HA 0.591 5.142 4.550 0.002 0.000 0.344 55 Y C -0.523 175.233 175.900 -0.240 0.000 0.976 55 Y CA -0.947 57.159 58.100 0.010 0.000 1.040 55 Y CB 1.638 40.204 38.460 0.176 0.000 1.228 55 Y HN 0.251 nan 8.280 nan 0.000 0.451 56 L N 3.053 124.286 121.223 0.016 0.000 2.272 56 L HA 0.569 4.910 4.340 0.002 0.000 0.289 56 L C 0.841 177.630 176.870 -0.134 0.000 1.032 56 L CA -0.933 53.812 54.840 -0.159 0.000 0.810 56 L CB 1.228 43.252 42.059 -0.058 0.000 1.205 56 L HN 0.944 nan 8.230 nan 0.000 0.422 57 G N 1.303 109.959 108.800 -0.240 0.000 2.225 57 G HA2 0.311 4.272 3.960 0.002 0.000 0.245 57 G HA3 0.311 4.272 3.960 0.002 0.000 0.245 57 G C 1.051 176.001 174.900 0.084 0.000 1.249 57 G CA 0.558 45.728 45.100 0.117 0.000 0.919 57 G HN 1.069 nan 8.290 nan 0.000 0.486 58 G N 0.457 109.384 108.800 0.212 0.000 2.184 58 G HA2 -0.238 3.723 3.960 0.002 0.000 0.264 58 G HA3 -0.238 3.723 3.960 0.002 0.000 0.264 58 G C 0.359 175.173 174.900 -0.143 0.000 0.975 58 G CA 0.388 45.590 45.100 0.169 0.000 0.642 58 G HN 1.409 nan 8.290 nan 0.000 0.536 59 V N 3.124 122.866 119.914 -0.287 0.000 2.320 59 V HA 0.607 4.729 4.120 0.002 0.000 0.265 59 V C 0.561 176.421 176.094 -0.389 0.000 1.048 59 V CA -0.314 61.522 62.300 -0.774 0.000 0.865 59 V CB -0.137 31.501 31.823 -0.309 0.000 1.043 59 V HN 0.492 nan 8.190 nan 0.000 0.474 60 W N 4.786 125.629 121.300 -0.762 0.000 2.967 60 W HA 0.732 5.394 4.660 0.002 0.000 0.342 60 W C -1.929 174.482 176.519 -0.180 0.000 1.162 60 W CA -1.762 55.297 57.345 -0.477 0.000 1.085 60 W CB 1.530 30.330 29.460 -1.101 0.000 1.460 60 W HN 0.403 nan 8.180 nan 0.000 0.584 61 Y N 2.581 122.745 120.300 -0.226 0.000 2.462 61 Y HA 0.421 4.972 4.550 0.002 0.000 0.346 61 Y C -2.193 173.598 175.900 -0.180 0.000 0.976 61 Y CA -2.751 55.060 58.100 -0.480 0.000 1.044 61 Y CB 2.785 40.704 38.460 -0.902 0.000 1.230 61 Y HN 0.049 nan 8.280 nan 0.000 0.455 62 P HA 0.081 nan 4.420 nan 0.000 0.241 62 P C -0.976 176.309 177.300 -0.026 0.000 1.780 62 P CA -0.093 62.798 63.100 -0.349 0.000 1.111 62 P CB 0.307 31.514 31.700 -0.822 0.000 1.852 63 D N 2.604 123.199 120.400 0.325 0.000 2.401 63 D HA -0.006 4.636 4.640 0.002 0.000 0.254 63 D C 0.392 176.991 176.300 0.497 0.000 1.192 63 D CA 0.131 54.432 54.000 0.501 0.000 0.885 63 D CB 0.618 41.735 40.800 0.529 0.000 1.147 63 D HN 0.130 nan 8.370 nan 0.000 0.478 64 K N 2.794 123.529 120.400 0.559 0.000 2.491 64 K HA -0.029 4.292 4.320 0.002 0.000 0.279 64 K C -0.249 176.667 176.600 0.527 0.000 1.026 64 K CA 0.025 56.634 56.287 0.535 0.000 1.070 64 K CB 0.268 33.038 32.500 0.451 0.000 0.887 64 K HN 0.356 nan 8.250 nan 0.000 0.481 65 T N 4.567 119.366 114.554 0.407 0.000 2.923 65 T HA -0.076 4.275 4.350 0.002 0.000 0.304 65 T C 0.186 175.127 174.700 0.401 0.000 1.044 65 T CA 0.420 62.738 62.100 0.362 0.000 1.141 65 T CB 0.201 69.282 68.868 0.356 0.000 1.023 65 T HN 0.527 nan 8.240 nan 0.000 0.533 66 R N 2.294 122.928 120.500 0.223 0.000 2.476 66 R HA 0.604 4.945 4.340 0.002 0.000 0.305 66 R C -1.108 175.224 176.300 0.053 0.000 0.965 66 R CA -0.581 55.592 56.100 0.123 0.000 0.867 66 R CB 0.952 31.195 30.300 -0.094 0.000 1.176 66 R HN 0.562 nan 8.270 nan 0.000 0.447 67 V N 0.558 120.546 119.914 0.123 0.000 3.159 67 V HA 0.659 4.780 4.120 0.002 0.000 0.308 67 V C 0.532 176.706 176.094 0.134 0.000 1.190 67 V CA -0.312 62.050 62.300 0.103 0.000 1.037 67 V CB 1.586 33.504 31.823 0.158 0.000 1.060 67 V HN 0.690 nan 8.190 nan 0.000 0.437 68 G N -0.298 108.600 108.800 0.164 0.000 2.404 68 G HA2 0.102 4.063 3.960 0.002 0.000 0.213 68 G HA3 0.102 4.063 3.960 0.002 0.000 0.213 68 G C -0.165 174.756 174.900 0.034 0.000 1.189 68 G CA 0.503 45.688 45.100 0.141 0.000 0.796 68 G HN 0.677 nan 8.290 nan 0.000 0.532 69 W N -1.277 120.162 121.300 0.232 0.000 2.883 69 W HA 0.533 5.194 4.660 0.002 0.000 0.335 69 W C -0.576 176.171 176.519 0.380 0.000 1.083 69 W CA -1.794 55.716 57.345 0.274 0.000 1.233 69 W CB 0.969 30.555 29.460 0.209 0.000 1.412 69 W HN -0.021 nan 8.180 nan 0.000 0.490 70 W N 4.618 126.151 121.300 0.389 0.000 2.251 70 W HA 0.378 5.039 4.660 0.002 0.000 0.329 70 W C -0.678 175.928 176.519 0.145 0.000 1.234 70 W CA -0.102 57.443 57.345 0.332 0.000 1.228 70 W CB 1.195 30.799 29.460 0.241 0.000 1.135 70 W HN 0.142 nan 8.180 nan 0.000 0.576 71 K N 3.711 123.715 120.400 -0.661 0.000 2.427 71 K HA 0.207 4.529 4.320 0.002 0.000 0.252 71 K C -0.763 175.571 176.600 -0.442 0.000 0.931 71 K CA -1.047 54.924 56.287 -0.527 0.000 0.793 71 K CB 1.694 33.731 32.500 -0.772 0.000 1.211 71 K HN 0.517 nan 8.250 nan 0.000 0.426 72 N N 0.141 118.820 118.700 -0.036 0.000 2.411 72 N HA 0.180 4.921 4.740 0.002 0.000 0.261 72 N C 0.980 176.483 175.510 -0.012 0.000 1.248 72 N CA 1.221 54.329 53.050 0.096 0.000 0.885 72 N CB 0.375 38.892 38.487 0.050 0.000 1.062 72 N HN 0.847 nan 8.380 nan 0.000 0.471 73 G N 0.678 109.566 108.800 0.146 0.000 2.238 73 G HA2 -0.269 3.693 3.960 0.002 0.000 0.217 73 G HA3 -0.269 3.693 3.960 0.002 0.000 0.217 73 G C -0.298 174.857 174.900 0.426 0.000 0.996 73 G CA -0.571 44.617 45.100 0.147 0.000 0.632 73 G HN 0.467 nan 8.290 nan 0.000 0.503 74 Y N 3.151 123.549 120.300 0.163 0.000 2.702 74 Y HA 0.314 4.865 4.550 0.002 0.000 0.336 74 Y C -1.009 174.865 175.900 -0.044 0.000 1.235 74 Y CA -1.364 56.618 58.100 -0.197 0.000 1.492 74 Y CB 0.048 37.862 38.460 -1.076 0.000 1.308 74 Y HN 0.162 nan 8.280 nan 0.000 0.589 75 P HA 0.104 nan 4.420 nan 0.000 0.274 75 P C -0.280 177.055 177.300 0.060 0.000 1.246 75 P CA -0.280 62.798 63.100 -0.037 0.000 0.795 75 P CB 1.108 32.665 31.700 -0.238 0.000 1.006 76 K N 0.230 120.600 120.400 -0.050 0.000 2.305 76 K HA 0.011 4.332 4.320 0.002 0.000 0.199 76 K C 0.288 176.775 176.600 -0.189 0.000 1.047 76 K CA 1.114 57.414 56.287 0.022 0.000 0.976 76 K CB -0.224 32.290 32.500 0.022 0.000 0.765 76 K HN 0.582 nan 8.250 nan 0.000 0.474 77 Y N -3.416 116.713 120.300 -0.286 0.000 2.597 77 Y HA 0.478 5.029 4.550 0.002 0.000 0.340 77 Y C -1.385 174.517 175.900 0.003 0.000 1.097 77 Y CA -2.100 55.868 58.100 -0.221 0.000 1.037 77 Y CB 0.642 38.768 38.460 -0.557 0.000 1.305 77 Y HN -0.224 nan 8.280 nan 0.000 0.463 78 F N 2.664 122.745 119.950 0.219 0.000 2.325 78 F HA 0.739 5.267 4.527 0.002 0.000 0.369 78 F C 0.523 176.547 175.800 0.374 0.000 1.095 78 F CA -1.059 57.059 58.000 0.196 0.000 1.082 78 F CB 0.667 39.748 39.000 0.135 0.000 1.289 78 F HN 0.901 nan 8.300 nan 0.000 0.462 79 G N 5.834 114.914 108.800 0.465 0.000 2.398 79 G HA2 0.412 4.373 3.960 0.002 0.000 0.246 79 G HA3 0.412 4.373 3.960 0.002 0.000 0.246 79 G C -1.156 174.180 174.900 0.727 0.000 1.289 79 G CA -0.504 44.972 45.100 0.627 0.000 0.869 79 G HN 0.732 nan 8.290 nan 0.000 0.543 80 K N 1.200 121.950 120.400 0.583 0.000 2.543 80 K HA 0.468 4.790 4.320 0.002 0.000 0.255 80 K C -1.006 175.813 176.600 0.365 0.000 0.934 80 K CA -0.987 55.652 56.287 0.586 0.000 0.810 80 K CB 1.886 34.736 32.500 0.583 0.000 1.315 80 K HN 0.204 nan 8.250 nan 0.000 0.433 81 V N 2.396 122.556 119.914 0.409 0.000 2.694 81 V HA -0.016 4.105 4.120 0.002 0.000 0.306 81 V C 0.313 176.654 176.094 0.411 0.000 1.054 81 V CA -0.328 62.184 62.300 0.352 0.000 1.161 81 V CB 0.948 33.035 31.823 0.440 0.000 0.916 81 V HN 0.524 nan 8.190 nan 0.000 0.490 82 V N 4.396 124.509 119.914 0.333 0.000 2.530 82 V HA 0.146 4.267 4.120 0.002 0.000 0.282 82 V C 0.534 176.895 176.094 0.445 0.000 1.048 82 V CA -0.663 61.849 62.300 0.353 0.000 0.997 82 V CB 1.108 32.990 31.823 0.098 0.000 0.987 82 V HN 0.942 nan 8.190 nan 0.000 0.477 83 N N 3.909 122.836 118.700 0.380 0.000 2.438 83 N HA 0.277 5.019 4.740 0.002 0.000 0.267 83 N C 0.083 175.799 175.510 0.344 0.000 1.222 83 N CA 0.311 53.454 53.050 0.155 0.000 0.930 83 N CB 0.929 39.472 38.487 0.093 0.000 1.083 83 N HN 0.916 nan 8.380 nan 0.000 0.476 84 A N 3.061 125.997 122.820 0.193 0.000 2.296 84 A HA 0.323 4.645 4.320 0.002 0.000 0.264 84 A C 0.085 177.625 177.584 -0.074 0.000 1.097 84 A CA -0.669 51.479 52.037 0.185 0.000 0.811 84 A CB 0.294 19.352 19.000 0.096 0.000 1.072 84 A HN 0.537 nan 8.150 nan 0.000 0.495 85 V N 2.022 121.715 119.914 -0.368 0.000 2.644 85 V HA -0.087 4.035 4.120 0.002 0.000 0.305 85 V C 0.916 176.929 176.094 -0.135 0.000 1.053 85 V CA 0.320 62.441 62.300 -0.299 0.000 1.186 85 V CB -0.224 31.375 31.823 -0.374 0.000 0.895 85 V HN 0.870 nan 8.190 nan 0.000 0.490 86 N N 4.825 123.450 118.700 -0.125 0.000 2.406 86 N HA 0.060 4.801 4.740 0.002 0.000 0.269 86 N C 0.281 175.735 175.510 -0.093 0.000 1.210 86 N CA -0.332 52.615 53.050 -0.172 0.000 0.966 86 N CB 0.059 38.477 38.487 -0.115 0.000 1.293 86 N HN 0.555 nan 8.380 nan 0.000 0.491 87 F N 2.930 122.848 119.950 -0.053 0.000 2.727 87 F HA 0.257 4.785 4.527 0.002 0.000 0.302 87 F C 1.277 177.072 175.800 -0.009 0.000 1.097 87 F CA -0.507 57.471 58.000 -0.036 0.000 1.330 87 F CB -0.555 38.416 39.000 -0.048 0.000 1.084 87 F HN 0.391 nan 8.300 nan 0.000 0.578 88 I N -1.421 119.054 120.570 -0.158 0.000 3.603 88 I HA 0.186 4.357 4.170 0.002 0.000 0.297 88 I C 1.080 177.218 176.117 0.035 0.000 1.269 88 I CA -0.338 60.952 61.300 -0.017 0.000 1.361 88 I CB -0.450 37.479 38.000 -0.119 0.000 1.063 88 I HN -0.056 nan 8.210 nan 0.000 0.448 89 K N 2.736 123.145 120.400 0.015 0.000 2.513 89 K HA 0.016 4.337 4.320 0.002 0.000 0.275 89 K C -0.517 176.132 176.600 0.082 0.000 1.025 89 K CA 0.660 56.975 56.287 0.047 0.000 1.125 89 K CB 0.315 32.837 32.500 0.037 0.000 0.843 89 K HN 0.509 nan 8.250 nan 0.000 0.486 90 L N 7.655 128.939 121.223 0.102 0.000 2.367 90 L HA 0.255 4.597 4.340 0.002 0.000 0.263 90 L C -2.403 174.549 176.870 0.136 0.000 1.473 90 L CA -1.556 53.355 54.840 0.119 0.000 0.807 90 L CB 1.414 43.554 42.059 0.135 0.000 0.968 90 L HN 0.600 nan 8.230 nan 0.000 0.520 91 P HA 0.146 nan 4.420 nan 0.000 0.269 91 P C -0.665 176.704 177.300 0.115 0.000 1.209 91 P CA 0.328 63.498 63.100 0.118 0.000 0.776 91 P CB 1.254 33.009 31.700 0.091 0.000 0.876 92 I N 2.115 122.760 120.570 0.126 0.000 2.447 92 I HA 0.283 4.454 4.170 0.002 0.000 0.287 92 I C 0.417 176.588 176.117 0.090 0.000 1.023 92 I CA -0.550 60.813 61.300 0.104 0.000 1.083 92 I CB 1.887 39.960 38.000 0.122 0.000 1.245 92 I HN 0.204 nan 8.210 nan 0.000 0.434 93 E N 6.890 127.130 120.200 0.066 0.000 2.171 93 E HA 0.592 4.943 4.350 0.002 0.000 0.271 93 E C -0.985 175.642 176.600 0.045 0.000 0.916 93 E CA -0.671 55.762 56.400 0.055 0.000 0.774 93 E CB 2.796 32.523 29.700 0.045 0.000 1.128 93 E HN 0.442 nan 8.360 nan 0.000 0.403 94 I N 3.148 123.744 120.570 0.045 0.000 2.355 94 I HA 0.171 4.342 4.170 0.002 0.000 0.288 94 I C -0.292 175.843 176.117 0.029 0.000 0.999 94 I CA -0.736 60.585 61.300 0.036 0.000 1.163 94 I CB 0.982 39.008 38.000 0.043 0.000 1.316 94 I HN 0.493 nan 8.210 nan 0.000 0.454 95 N N 5.287 124.000 118.700 0.022 0.000 2.727 95 N HA -0.207 4.534 4.740 0.002 0.000 0.249 95 N C 0.962 176.483 175.510 0.019 0.000 1.048 95 N CA 1.318 54.379 53.050 0.018 0.000 0.714 95 N CB -0.960 37.537 38.487 0.017 0.000 0.959 95 N HN 1.164 nan 8.380 nan 0.000 0.544 96 G N -1.296 107.517 108.800 0.022 0.000 2.234 96 G HA2 -0.367 3.595 3.960 0.002 0.000 0.260 96 G HA3 -0.367 3.595 3.960 0.002 0.000 0.260 96 G C -0.103 174.812 174.900 0.025 0.000 0.987 96 G CA 0.734 45.847 45.100 0.021 0.000 0.625 96 G HN 0.633 nan 8.290 nan 0.000 0.532 97 E N 2.291 122.509 120.200 0.029 0.000 2.109 97 E HA 0.539 4.890 4.350 0.002 0.000 0.278 97 E C -1.920 174.706 176.600 0.044 0.000 0.954 97 E CA -2.531 53.888 56.400 0.032 0.000 0.779 97 E CB 1.429 31.146 29.700 0.028 0.000 1.093 97 E HN 0.243 nan 8.360 nan 0.000 0.401 98 P HA -0.042 nan 4.420 nan 0.000 0.269 98 P C -0.394 176.951 177.300 0.076 0.000 1.209 98 P CA -0.192 62.947 63.100 0.064 0.000 0.776 98 P CB 0.793 32.529 31.700 0.059 0.000 0.876 99 V N 3.295 123.274 119.914 0.108 0.000 2.555 99 V HA 0.159 4.280 4.120 0.002 0.000 0.286 99 V C 0.589 176.758 176.094 0.125 0.000 1.044 99 V CA 0.834 63.214 62.300 0.132 0.000 1.026 99 V CB 0.434 32.383 31.823 0.210 0.000 0.981 99 V HN 0.650 nan 8.190 nan 0.000 0.480 100 D N 3.686 124.139 120.400 0.089 0.000 2.365 100 D HA 0.221 4.862 4.640 0.002 0.000 0.235 100 D C 0.544 176.870 176.300 0.042 0.000 1.368 100 D CA -0.492 53.554 54.000 0.077 0.000 1.001 100 D CB 1.091 41.899 40.800 0.014 0.000 1.364 100 D HN 0.312 nan 8.370 nan 0.000 0.577 101 L N 1.932 123.217 121.223 0.103 0.000 2.549 101 L HA -0.036 4.305 4.340 0.002 0.000 0.230 101 L C 2.018 178.983 176.870 0.158 0.000 1.162 101 L CA 1.087 55.929 54.840 0.004 0.000 0.834 101 L CB -0.438 41.461 42.059 -0.267 0.000 0.947 101 L HN 0.398 nan 8.230 nan 0.000 0.452 102 A N -0.113 122.686 122.820 -0.034 0.000 2.123 102 A HA -0.073 4.248 4.320 0.002 0.000 0.214 102 A C 2.225 179.760 177.584 -0.082 0.000 1.152 102 A CA 0.857 52.775 52.037 -0.198 0.000 0.728 102 A CB 0.047 18.597 19.000 -0.751 0.000 0.814 102 A HN 0.360 nan 8.150 nan 0.000 0.464 103 K N -0.875 119.491 120.400 -0.056 0.000 2.380 103 K HA 0.118 4.439 4.320 0.002 0.000 0.200 103 K C -0.467 176.129 176.600 -0.006 0.000 1.201 103 K CA -0.206 56.062 56.287 -0.032 0.000 0.916 103 K CB 0.292 32.769 32.500 -0.039 0.000 1.187 103 K HN 0.229 nan 8.250 nan 0.000 0.498 104 D N 2.302 122.699 120.400 -0.005 0.000 2.382 104 D HA 0.005 4.647 4.640 0.002 0.000 0.240 104 D C -0.162 176.136 176.300 -0.004 0.000 1.146 104 D CA 0.475 54.475 54.000 -0.000 0.000 0.897 104 D CB 0.877 41.678 40.800 0.001 0.000 1.197 104 D HN -0.150 nan 8.370 nan 0.000 0.432 105 K N 2.443 122.849 120.400 0.011 0.000 2.143 105 K HA 0.403 4.724 4.320 0.002 0.000 0.272 105 K C -0.270 176.342 176.600 0.020 0.000 1.001 105 K CA -0.433 55.864 56.287 0.018 0.000 0.915 105 K CB 0.597 33.113 32.500 0.026 0.000 1.047 105 K HN 0.563 nan 8.250 nan 0.000 0.458 106 I N -1.013 119.569 120.570 0.019 0.000 3.174 106 I HA 0.601 4.772 4.170 0.002 0.000 0.313 106 I C -0.529 175.650 176.117 0.103 0.000 1.155 106 I CA -0.865 60.469 61.300 0.056 0.000 0.977 106 I CB 2.236 40.206 38.000 -0.049 0.000 1.248 106 I HN 0.597 nan 8.210 nan 0.000 0.453 107 S N -0.100 115.699 115.700 0.165 0.000 2.651 107 S HA 0.484 4.956 4.470 0.002 0.000 0.279 107 S C -0.497 174.234 174.600 0.217 0.000 1.148 107 S CA -0.362 57.932 58.200 0.158 0.000 0.837 107 S CB 1.514 64.779 63.200 0.109 0.000 1.138 107 S HN 1.002 nan 8.310 nan 0.000 0.478 108 D N -0.270 120.238 120.400 0.180 0.000 2.740 108 D HA -0.205 4.437 4.640 0.002 0.000 0.231 108 D C -0.722 175.742 176.300 0.274 0.000 1.194 108 D CA 0.638 54.740 54.000 0.171 0.000 0.673 108 D CB -1.473 39.389 40.800 0.103 0.000 0.995 108 D HN 0.552 nan 8.370 nan 0.000 0.411 109 F N 0.779 120.847 119.950 0.198 0.000 2.399 109 F HA 0.511 5.040 4.527 0.002 0.000 0.342 109 F C 0.380 176.364 175.800 0.307 0.000 1.106 109 F CA 0.290 58.440 58.000 0.250 0.000 1.196 109 F CB 1.147 40.265 39.000 0.197 0.000 1.163 109 F HN -0.012 nan 8.300 nan 0.000 0.547 110 T N 7.214 121.399 114.554 -0.615 0.000 3.237 110 T HA 0.413 4.764 4.350 0.002 0.000 0.319 110 T C -1.832 172.445 174.700 -0.705 0.000 1.037 110 T CA -0.474 61.380 62.100 -0.410 0.000 1.048 110 T CB 1.248 70.095 68.868 -0.035 0.000 1.081 110 T HN 0.548 nan 8.240 nan 0.000 0.455 111 L N 3.769 124.728 121.223 -0.440 0.000 2.372 111 L HA 0.791 5.132 4.340 0.002 0.000 0.273 111 L C -1.463 175.427 176.870 0.034 0.000 0.989 111 L CA -0.387 54.375 54.840 -0.130 0.000 0.841 111 L CB 1.389 43.570 42.059 0.203 0.000 1.225 111 L HN 0.608 nan 8.230 nan 0.000 0.414 112 D N 4.268 124.687 120.400 0.032 0.000 2.542 112 D HA 0.301 4.942 4.640 0.002 0.000 0.252 112 D C -1.558 174.769 176.300 0.046 0.000 1.222 112 D CA -0.309 53.714 54.000 0.039 0.000 0.895 112 D CB 1.459 42.257 40.800 -0.002 0.000 1.207 112 D HN 0.465 nan 8.370 nan 0.000 0.558 113 L N 4.025 125.261 121.223 0.022 0.000 2.268 113 L HA 0.405 4.746 4.340 0.002 0.000 0.289 113 L C -0.566 176.244 176.870 -0.100 0.000 1.064 113 L CA -0.297 54.532 54.840 -0.018 0.000 0.824 113 L CB 0.913 42.956 42.059 -0.027 0.000 1.202 113 L HN 0.306 nan 8.230 nan 0.000 0.433 114 D N 5.086 125.429 120.400 -0.096 0.000 2.422 114 D HA 0.102 4.744 4.640 0.002 0.000 0.227 114 D C 0.990 177.119 176.300 -0.284 0.000 1.190 114 D CA -0.005 53.924 54.000 -0.118 0.000 0.905 114 D CB 0.789 41.558 40.800 -0.051 0.000 1.034 114 D HN 0.658 nan 8.370 nan 0.000 0.507 115 M N 1.720 121.112 119.600 -0.346 0.000 2.296 115 M HA -0.129 4.353 4.480 0.002 0.000 0.265 115 M C 1.878 178.085 176.300 -0.156 0.000 1.064 115 M CA 0.736 55.676 55.300 -0.599 0.000 1.109 115 M CB -0.141 32.264 32.600 -0.326 0.000 1.396 115 M HN 0.503 nan 8.290 nan 0.000 0.430 116 H N 0.709 119.639 119.070 -0.235 0.000 2.395 116 H HA -0.045 4.512 4.556 0.002 0.000 0.299 116 H C 1.430 176.683 175.328 -0.125 0.000 1.070 116 H CA 1.343 57.104 56.048 -0.478 0.000 1.356 116 H CB 0.360 29.465 29.762 -1.094 0.000 1.401 116 H HN 0.491 nan 8.280 nan 0.000 0.524 117 Q N -0.532 119.171 119.800 -0.162 0.000 2.384 117 Q HA 0.135 4.476 4.340 0.002 0.000 0.207 117 Q C 0.710 176.611 176.000 -0.165 0.000 0.904 117 Q CA 0.405 56.135 55.803 -0.122 0.000 0.933 117 Q CB 1.124 29.845 28.738 -0.029 0.000 1.077 117 Q HN 0.605 nan 8.270 nan 0.000 0.522 118 G N 1.460 110.079 108.800 -0.301 0.000 2.298 118 G HA2 -0.209 3.753 3.960 0.002 0.000 0.287 118 G HA3 -0.209 3.753 3.960 0.002 0.000 0.287 118 G C -0.333 174.727 174.900 0.266 0.000 1.075 118 G CA 0.108 45.081 45.100 -0.211 0.000 0.960 118 G HN 0.166 nan 8.290 nan 0.000 0.502 119 V N 0.186 120.183 119.914 0.138 0.000 2.925 119 V HA 0.757 4.879 4.120 0.002 0.000 0.311 119 V C -0.161 176.034 176.094 0.168 0.000 1.104 119 V CA -1.130 61.302 62.300 0.221 0.000 0.954 119 V CB 2.078 34.004 31.823 0.171 0.000 1.022 119 V HN 0.556 nan 8.190 nan 0.000 0.427 120 L N 4.485 125.838 121.223 0.218 0.000 2.287 120 L HA 0.637 4.978 4.340 0.002 0.000 0.287 120 L C -0.382 176.581 176.870 0.156 0.000 1.022 120 L CA 0.183 55.128 54.840 0.174 0.000 0.814 120 L CB 1.176 43.356 42.059 0.201 0.000 1.217 120 L HN 0.647 nan 8.230 nan 0.000 0.420 121 N N 4.947 123.712 118.700 0.108 0.000 2.370 121 N HA 0.599 5.340 4.740 0.002 0.000 0.303 121 N C -1.218 174.314 175.510 0.036 0.000 1.103 121 N CA -0.628 52.472 53.050 0.084 0.000 0.848 121 N CB 2.495 41.015 38.487 0.054 0.000 1.235 121 N HN 0.554 nan 8.380 nan 0.000 0.496 122 R N 0.300 120.814 120.500 0.025 0.000 2.536 122 R HA 0.384 4.725 4.340 0.002 0.000 0.269 122 R C -1.629 174.651 176.300 -0.033 0.000 1.113 122 R CA -0.401 55.650 56.100 -0.081 0.000 0.948 122 R CB 0.973 31.178 30.300 -0.158 0.000 1.237 122 R HN 0.828 nan 8.270 nan 0.000 0.441 123 S N 2.798 118.402 115.700 -0.161 0.000 2.550 123 S HA 0.872 5.344 4.470 0.002 0.000 0.270 123 S C -0.955 173.582 174.600 -0.105 0.000 1.145 123 S CA -0.753 57.322 58.200 -0.209 0.000 0.852 123 S CB 1.658 64.773 63.200 -0.143 0.000 1.119 123 S HN 0.598 nan 8.310 nan 0.000 0.465 124 F N -1.954 117.998 119.950 0.003 0.000 2.900 124 F HA 0.749 5.277 4.527 0.002 0.000 0.321 124 F C -2.188 173.647 175.800 0.057 0.000 1.160 124 F CA -1.371 56.669 58.000 0.066 0.000 0.890 124 F CB 0.470 39.578 39.000 0.179 0.000 1.334 124 F HN 0.484 nan 8.300 nan 0.000 0.459 125 V N 2.100 122.238 119.914 0.374 0.000 2.448 125 V HA 0.552 4.673 4.120 0.002 0.000 0.295 125 V C -0.484 175.798 176.094 0.315 0.000 1.025 125 V CA -0.989 61.450 62.300 0.232 0.000 0.859 125 V CB 1.484 33.385 31.823 0.129 0.000 0.988 125 V HN 0.738 nan 8.190 nan 0.000 0.431 126 V N 4.828 124.908 119.914 0.276 0.000 2.455 126 V HA 0.226 4.347 4.120 0.002 0.000 0.273 126 V C 0.368 176.537 176.094 0.124 0.000 1.045 126 V CA -0.291 62.140 62.300 0.218 0.000 0.976 126 V CB 0.805 32.751 31.823 0.205 0.000 0.993 126 V HN 0.801 nan 8.190 nan 0.000 0.475 127 E N 5.946 126.204 120.200 0.096 0.000 2.028 127 E HA 0.340 4.691 4.350 0.002 0.000 0.266 127 E C -0.147 176.483 176.600 0.050 0.000 0.962 127 E CA -0.290 56.150 56.400 0.067 0.000 0.784 127 E CB 0.970 30.707 29.700 0.061 0.000 1.114 127 E HN 0.503 nan 8.360 nan 0.000 0.414 128 R N 1.661 122.188 120.500 0.044 0.000 2.983 128 R HA 0.309 4.650 4.340 0.002 0.000 0.300 128 R C 0.833 177.149 176.300 0.027 0.000 1.367 128 R CA -0.017 56.103 56.100 0.034 0.000 1.564 128 R CB 0.781 31.102 30.300 0.036 0.000 1.314 128 R HN 0.760 nan 8.270 nan 0.000 0.622 129 G N 1.304 110.119 108.800 0.025 0.000 2.565 129 G HA2 -0.473 3.488 3.960 0.002 0.000 0.295 129 G HA3 -0.473 3.488 3.960 0.002 0.000 0.295 129 G C 0.871 175.783 174.900 0.020 0.000 1.165 129 G CA 0.235 45.347 45.100 0.020 0.000 0.977 129 G HN 0.465 nan 8.290 nan 0.000 0.546 130 A N -0.587 122.243 122.820 0.016 0.000 2.119 130 A HA 0.479 4.801 4.320 0.002 0.000 0.217 130 A C 1.327 178.921 177.584 0.016 0.000 1.153 130 A CA 1.984 54.030 52.037 0.015 0.000 0.692 130 A CB -0.150 18.857 19.000 0.011 0.000 0.799 130 A HN 1.451 nan 8.150 nan 0.000 0.458 131 V N 1.457 121.382 119.914 0.019 0.000 2.385 131 V HA 0.341 4.463 4.120 0.002 0.000 0.269 131 V C -0.034 176.077 176.094 0.029 0.000 1.043 131 V CA -0.233 62.080 62.300 0.021 0.000 0.906 131 V CB 0.484 32.320 31.823 0.023 0.000 0.995 131 V HN 0.469 nan 8.190 nan 0.000 0.467 132 R N 3.913 124.428 120.500 0.026 0.000 2.502 132 R HA 0.737 5.079 4.340 0.002 0.000 0.300 132 R C -1.696 174.619 176.300 0.026 0.000 0.984 132 R CA -0.627 55.494 56.100 0.034 0.000 0.882 132 R CB 2.431 32.749 30.300 0.031 0.000 1.180 132 R HN 0.461 nan 8.270 nan 0.000 0.444 133 V N 1.962 121.898 119.914 0.037 0.000 2.577 133 V HA 0.564 4.685 4.120 0.002 0.000 0.303 133 V C -0.137 175.957 176.094 0.000 0.000 1.042 133 V CA -0.949 61.358 62.300 0.012 0.000 0.872 133 V CB 1.833 33.662 31.823 0.012 0.000 0.998 133 V HN 0.914 nan 8.190 nan 0.000 0.423 134 A N 6.111 128.903 122.820 -0.048 0.000 2.331 134 A HA 0.870 5.191 4.320 0.002 0.000 0.283 134 A C -0.702 176.756 177.584 -0.210 0.000 1.142 134 A CA -0.278 51.698 52.037 -0.101 0.000 0.812 134 A CB 0.379 19.326 19.000 -0.088 0.000 1.074 134 A HN 0.809 nan 8.150 nan 0.000 0.497 135 L N 3.073 124.072 121.223 -0.373 0.000 2.409 135 L HA 0.424 4.766 4.340 0.002 0.000 0.272 135 L C -0.520 175.996 176.870 -0.590 0.000 0.980 135 L CA -0.447 54.062 54.840 -0.552 0.000 0.826 135 L CB 1.930 43.596 42.059 -0.654 0.000 1.268 135 L HN 0.717 nan 8.230 nan 0.000 0.407 136 N N 3.334 121.713 118.700 -0.535 0.000 2.442 136 N HA 0.511 5.253 4.740 0.002 0.000 0.274 136 N C -1.390 173.887 175.510 -0.388 0.000 1.002 136 N CA -0.392 52.451 53.050 -0.344 0.000 0.910 136 N CB 2.071 40.424 38.487 -0.223 0.000 1.244 136 N HN 0.231 nan 8.380 nan 0.000 0.492 137 F N 0.963 120.799 119.950 -0.190 0.000 2.470 137 F HA 0.448 4.976 4.527 0.002 0.000 0.329 137 F C 0.568 176.345 175.800 -0.039 0.000 1.072 137 F CA -0.596 57.338 58.000 -0.110 0.000 0.989 137 F CB 1.608 40.549 39.000 -0.099 0.000 1.193 137 F HN 0.264 nan 8.300 nan 0.000 0.481 138 Q N 2.812 122.745 119.800 0.221 0.000 2.327 138 Q HA 0.560 4.901 4.340 0.002 0.000 0.265 138 Q C -1.472 174.701 176.000 0.288 0.000 0.993 138 Q CA -0.892 55.050 55.803 0.233 0.000 0.885 138 Q CB 2.622 31.492 28.738 0.220 0.000 1.379 138 Q HN 0.899 nan 8.270 nan 0.000 0.408 139 R N 1.779 122.466 120.500 0.311 0.000 2.733 139 R HA 0.797 5.138 4.340 0.002 0.000 0.272 139 R C -1.683 174.829 176.300 0.354 0.000 1.029 139 R CA -0.620 55.632 56.100 0.253 0.000 0.888 139 R CB 1.247 31.640 30.300 0.155 0.000 1.251 139 R HN 0.501 nan 8.270 nan 0.000 0.464 140 F N -1.102 118.898 119.950 0.083 0.000 2.719 140 F HA 0.526 5.055 4.527 0.002 0.000 0.309 140 F C -2.066 173.735 175.800 0.001 0.000 1.138 140 F CA -1.403 56.605 58.000 0.013 0.000 0.943 140 F CB 1.408 40.272 39.000 -0.226 0.000 1.304 140 F HN 0.292 nan 8.300 nan 0.000 0.445 141 L N 2.732 124.097 121.223 0.236 0.000 2.277 141 L HA 0.421 4.762 4.340 0.002 0.000 0.284 141 L C 0.365 177.422 176.870 0.311 0.000 1.028 141 L CA -0.867 54.095 54.840 0.203 0.000 0.835 141 L CB 1.467 43.697 42.059 0.285 0.000 1.215 141 L HN 0.862 nan 8.230 nan 0.000 0.425 142 S N 1.772 117.612 115.700 0.234 0.000 2.544 142 S HA 0.047 4.519 4.470 0.002 0.000 0.290 142 S C 1.126 175.938 174.600 0.354 0.000 1.276 142 S CA -0.630 57.794 58.200 0.374 0.000 1.075 142 S CB 0.769 64.121 63.200 0.253 0.000 0.849 142 S HN 0.469 nan 8.310 nan 0.000 0.494 143 V N 3.340 123.540 119.914 0.476 0.000 3.649 143 V HA 0.336 4.458 4.120 0.002 0.000 0.275 143 V C 1.724 177.822 176.094 0.007 0.000 1.281 143 V CA 0.878 63.225 62.300 0.079 0.000 1.143 143 V CB -0.992 30.653 31.823 -0.296 0.000 0.892 143 V HN 0.825 nan 8.190 nan 0.000 0.441 144 A N 0.267 123.144 122.820 0.095 0.000 1.924 144 A HA 0.215 4.536 4.320 0.002 0.000 0.211 144 A C 1.608 179.200 177.584 0.012 0.000 1.198 144 A CA 0.796 52.852 52.037 0.032 0.000 0.657 144 A CB -0.048 18.989 19.000 0.063 0.000 0.852 144 A HN 0.540 nan 8.150 nan 0.000 0.454 145 Q N -0.443 119.374 119.800 0.029 0.000 2.607 145 Q HA 0.397 4.738 4.340 0.002 0.000 0.247 145 Q C -2.366 173.586 176.000 -0.080 0.000 1.033 145 Q CA -2.416 53.368 55.803 -0.030 0.000 0.769 145 Q CB 1.426 30.154 28.738 -0.017 0.000 1.169 145 Q HN 0.114 nan 8.270 nan 0.000 0.508 146 P HA -0.240 nan 4.420 nan 0.000 0.220 146 P C -0.070 176.903 177.300 -0.545 0.000 1.155 146 P CA 1.540 64.471 63.100 -0.281 0.000 0.880 146 P CB 0.426 31.913 31.700 -0.355 0.000 0.790 147 E N -1.647 118.200 120.200 -0.587 0.000 2.482 147 E HA 0.038 4.390 4.350 0.002 0.000 0.196 147 E C 0.425 176.894 176.600 -0.218 0.000 1.047 147 E CA 0.070 56.177 56.400 -0.488 0.000 0.869 147 E CB -0.439 29.068 29.700 -0.321 0.000 0.836 147 E HN 0.171 nan 8.360 nan 0.000 0.520 148 L N 0.599 121.727 121.223 -0.160 0.000 2.275 148 L HA 0.378 4.720 4.340 0.002 0.000 0.288 148 L C -0.493 176.308 176.870 -0.115 0.000 1.046 148 L CA -0.367 54.398 54.840 -0.125 0.000 0.805 148 L CB 1.646 43.654 42.059 -0.085 0.000 1.193 148 L HN -0.166 nan 8.230 nan 0.000 0.426 149 S N 4.605 120.211 115.700 -0.156 0.000 2.478 149 S HA 0.798 5.269 4.470 0.002 0.000 0.312 149 S C -1.095 173.369 174.600 -0.226 0.000 1.094 149 S CA -0.566 57.560 58.200 -0.124 0.000 1.081 149 S CB 1.049 64.284 63.200 0.059 0.000 1.007 149 S HN 0.462 nan 8.310 nan 0.000 0.475 150 V N 5.537 125.157 119.914 -0.490 0.000 2.487 150 V HA 0.547 4.669 4.120 0.002 0.000 0.298 150 V C -0.461 175.449 176.094 -0.307 0.000 1.028 150 V CA -0.642 61.353 62.300 -0.509 0.000 0.860 150 V CB 1.621 32.858 31.823 -0.977 0.000 0.991 150 V HN 0.911 nan 8.190 nan 0.000 0.427 151 Q N 3.084 122.857 119.800 -0.045 0.000 2.375 151 Q HA 0.665 5.006 4.340 0.002 0.000 0.271 151 Q C -1.014 175.036 176.000 0.084 0.000 1.074 151 Q CA -0.795 55.047 55.803 0.065 0.000 0.808 151 Q CB 3.307 32.097 28.738 0.087 0.000 1.327 151 Q HN 0.660 nan 8.270 nan 0.000 0.441 152 K N 1.386 121.828 120.400 0.069 0.000 2.468 152 K HA 0.623 4.945 4.320 0.002 0.000 0.252 152 K C -1.768 174.751 176.600 -0.136 0.000 0.932 152 K CA -0.564 55.664 56.287 -0.098 0.000 0.794 152 K CB 1.818 34.120 32.500 -0.331 0.000 1.241 152 K HN 0.412 nan 8.250 nan 0.000 0.428 153 V N 2.531 122.305 119.914 -0.233 0.000 2.531 153 V HA 0.422 4.544 4.120 0.002 0.000 0.301 153 V C -0.738 175.140 176.094 -0.361 0.000 1.034 153 V CA -0.750 61.306 62.300 -0.407 0.000 0.865 153 V CB 1.947 33.504 31.823 -0.444 0.000 0.995 153 V HN 0.846 nan 8.190 nan 0.000 0.424 154 T N 4.089 118.406 114.554 -0.394 0.000 2.792 154 T HA 0.651 5.003 4.350 0.002 0.000 0.280 154 T C -0.430 174.088 174.700 -0.303 0.000 0.990 154 T CA -0.396 61.531 62.100 -0.290 0.000 0.960 154 T CB 1.680 70.408 68.868 -0.233 0.000 0.939 154 T HN 0.376 nan 8.240 nan 0.000 0.439 155 V N 3.579 123.357 119.914 -0.226 0.000 2.513 155 V HA 0.655 4.776 4.120 0.002 0.000 0.299 155 V C -0.109 175.905 176.094 -0.133 0.000 1.035 155 V CA -0.854 61.331 62.300 -0.191 0.000 0.889 155 V CB 1.906 33.637 31.823 -0.152 0.000 0.988 155 V HN 0.763 nan 8.190 nan 0.000 0.440 156 K N 3.409 123.740 120.400 -0.115 0.000 2.535 156 K HA 0.346 4.668 4.320 0.002 0.000 0.250 156 K C -0.665 175.901 176.600 -0.057 0.000 0.948 156 K CA -0.517 55.722 56.287 -0.080 0.000 0.796 156 K CB 1.520 33.972 32.500 -0.079 0.000 1.216 156 K HN 0.820 nan 8.250 nan 0.000 0.432 157 N N 5.505 124.180 118.700 -0.040 0.000 2.411 157 N HA 0.096 4.837 4.740 0.002 0.000 0.259 157 N C 0.250 175.749 175.510 -0.018 0.000 1.103 157 N CA -0.190 52.845 53.050 -0.024 0.000 0.954 157 N CB 0.568 39.044 38.487 -0.019 0.000 1.085 157 N HN 0.567 nan 8.380 nan 0.000 0.485 158 L N 1.831 123.048 121.223 -0.011 0.000 2.607 158 L HA 0.147 4.489 4.340 0.002 0.000 0.228 158 L C 0.611 177.481 176.870 0.001 0.000 1.123 158 L CA -0.134 54.703 54.840 -0.005 0.000 0.890 158 L CB 0.125 42.184 42.059 -0.000 0.000 1.103 158 L HN 0.440 nan 8.230 nan 0.000 0.468 159 S N -0.249 115.452 115.700 0.002 0.000 2.608 159 S HA 0.026 4.497 4.470 0.002 0.000 0.261 159 S C 0.660 175.261 174.600 0.002 0.000 1.314 159 S CA -0.548 57.655 58.200 0.005 0.000 0.992 159 S CB 0.828 64.032 63.200 0.006 0.000 0.935 159 S HN 0.168 nan 8.310 nan 0.000 0.564 160 D N 0.440 120.841 120.400 0.003 0.000 2.349 160 D HA 0.284 4.925 4.640 0.002 0.000 0.215 160 D C 0.454 176.754 176.300 0.001 0.000 1.016 160 D CA 0.388 54.389 54.000 0.002 0.000 0.870 160 D CB 0.158 40.959 40.800 0.003 0.000 0.917 160 D HN 0.484 nan 8.370 nan 0.000 0.524 161 A N 0.349 123.170 122.820 0.002 0.000 2.435 161 A HA 0.445 4.767 4.320 0.002 0.000 0.296 161 A C -0.301 177.283 177.584 0.000 0.000 1.147 161 A CA -0.678 51.360 52.037 0.001 0.000 0.775 161 A CB 1.558 20.560 19.000 0.003 0.000 1.340 161 A HN -0.135 nan 8.150 nan 0.000 0.427 162 E N -0.304 119.896 120.200 -0.000 0.000 2.398 162 E HA 0.370 4.721 4.350 0.002 0.000 0.263 162 E C -0.336 176.264 176.600 0.001 0.000 1.046 162 E CA -0.012 56.387 56.400 -0.001 0.000 0.908 162 E CB 0.938 30.638 29.700 -0.001 0.000 0.963 162 E HN 0.740 nan 8.360 nan 0.000 0.431 163 V N -0.950 118.964 119.914 0.000 0.000 2.925 163 V HA 0.411 4.533 4.120 0.002 0.000 0.311 163 V C -1.003 175.092 176.094 0.003 0.000 1.104 163 V CA -1.183 61.119 62.300 0.003 0.000 0.954 163 V CB 2.286 34.112 31.823 0.005 0.000 1.022 163 V HN 0.450 nan 8.190 nan 0.000 0.427 164 D N 2.360 122.764 120.400 0.006 0.000 2.225 164 D HA 0.652 5.293 4.640 0.002 0.000 0.248 164 D C -0.621 175.685 176.300 0.011 0.000 1.096 164 D CA 0.058 54.063 54.000 0.008 0.000 0.863 164 D CB 2.146 42.952 40.800 0.009 0.000 1.156 164 D HN 0.567 nan 8.370 nan 0.000 0.450 165 V N 2.040 121.960 119.914 0.010 0.000 2.588 165 V HA 0.456 4.578 4.120 0.002 0.000 0.304 165 V C -0.003 176.104 176.094 0.022 0.000 1.042 165 V CA -0.563 61.744 62.300 0.012 0.000 0.877 165 V CB 2.265 34.085 31.823 -0.005 0.000 0.996 165 V HN 0.509 nan 8.190 nan 0.000 0.425 166 T N 5.720 120.294 114.554 0.032 0.000 2.879 166 T HA 0.683 5.034 4.350 0.002 0.000 0.290 166 T C -0.931 173.806 174.700 0.061 0.000 0.993 166 T CA -0.405 61.724 62.100 0.049 0.000 0.975 166 T CB 1.453 70.346 68.868 0.041 0.000 0.981 166 T HN 0.230 nan 8.240 nan 0.000 0.439 167 L N 3.171 124.446 121.223 0.086 0.000 2.317 167 L HA 0.531 4.872 4.340 0.002 0.000 0.281 167 L C 0.323 177.276 176.870 0.138 0.000 1.024 167 L CA -0.297 54.598 54.840 0.091 0.000 0.810 167 L CB 1.380 43.472 42.059 0.055 0.000 1.240 167 L HN 0.530 nan 8.230 nan 0.000 0.427 168 K N 3.576 124.047 120.400 0.117 0.000 2.682 168 K HA 0.344 4.666 4.320 0.002 0.000 0.189 168 K C -2.483 174.188 176.600 0.118 0.000 1.062 168 K CA -1.617 54.742 56.287 0.122 0.000 0.997 168 K CB 0.804 33.354 32.500 0.084 0.000 1.405 168 K HN 0.260 nan 8.250 nan 0.000 0.588 169 P HA -0.078 nan 4.420 nan 0.000 0.260 169 P C -0.655 176.708 177.300 0.105 0.000 1.185 169 P CA 0.480 63.646 63.100 0.111 0.000 0.763 169 P CB 0.801 32.561 31.700 0.101 0.000 0.776 170 S N 2.764 118.517 115.700 0.089 0.000 2.671 170 S HA 0.719 5.190 4.470 0.002 0.000 0.277 170 S C -0.938 173.706 174.600 0.073 0.000 1.165 170 S CA -0.916 57.329 58.200 0.075 0.000 0.822 170 S CB 1.138 64.375 63.200 0.061 0.000 1.150 170 S HN 0.181 nan 8.310 nan 0.000 0.479 171 I N 1.225 121.829 120.570 0.058 0.000 2.447 171 I HA 0.460 4.632 4.170 0.002 0.000 0.287 171 I C -1.525 174.605 176.117 0.023 0.000 1.023 171 I CA -0.338 60.994 61.300 0.054 0.000 1.083 171 I CB 1.914 39.946 38.000 0.053 0.000 1.245 171 I HN 0.607 nan 8.210 nan 0.000 0.434 172 D N 4.920 125.324 120.400 0.006 0.000 2.471 172 D HA 0.482 5.123 4.640 0.002 0.000 0.245 172 D C 0.387 176.668 176.300 -0.032 0.000 1.116 172 D CA -0.370 53.626 54.000 -0.006 0.000 0.853 172 D CB 2.228 43.028 40.800 0.000 0.000 1.123 172 D HN 0.628 nan 8.370 nan 0.000 0.540 173 A N 3.443 126.243 122.820 -0.033 0.000 2.218 173 A HA 0.006 4.327 4.320 0.002 0.000 0.209 173 A C 1.042 178.631 177.584 0.009 0.000 1.168 173 A CA -0.022 51.983 52.037 -0.054 0.000 0.804 173 A CB 0.038 19.006 19.000 -0.053 0.000 0.834 173 A HN 0.451 nan 8.150 nan 0.000 0.482 174 D N 1.459 121.868 120.400 0.015 0.000 2.600 174 D HA 0.262 4.904 4.640 0.002 0.000 0.226 174 D C 0.072 176.389 176.300 0.028 0.000 1.119 174 D CA 0.379 54.397 54.000 0.029 0.000 1.051 174 D CB -0.233 40.578 40.800 0.019 0.000 1.106 174 D HN 0.260 nan 8.370 nan 0.000 0.491 175 V N -0.118 119.831 119.914 0.059 0.000 3.155 175 V HA 0.825 4.947 4.120 0.002 0.000 0.313 175 V C -0.269 175.860 176.094 0.058 0.000 1.162 175 V CA -1.062 61.272 62.300 0.055 0.000 1.048 175 V CB 2.107 33.972 31.823 0.069 0.000 1.092 175 V HN 0.311 nan 8.190 nan 0.000 0.447 176 M N 0.453 120.060 119.600 0.012 0.000 2.603 176 M HA 0.637 5.118 4.480 0.002 0.000 0.275 176 M C -1.914 174.341 176.300 -0.074 0.000 1.226 176 M CA -0.610 54.639 55.300 -0.085 0.000 0.870 176 M CB 2.042 34.564 32.600 -0.129 0.000 1.716 176 M HN 0.537 nan 8.290 nan 0.000 0.482 177 N N 1.789 120.380 118.700 -0.181 0.000 2.414 177 N HA 0.177 4.918 4.740 0.002 0.000 0.256 177 N C 0.287 175.757 175.510 -0.065 0.000 1.029 177 N CA -0.240 52.784 53.050 -0.044 0.000 0.948 177 N CB 1.586 40.093 38.487 0.033 0.000 1.102 177 N HN 0.886 nan 8.380 nan 0.000 0.496 178 E N 1.705 121.905 120.200 0.000 0.000 2.209 178 E HA -0.187 4.164 4.350 0.002 0.000 0.196 178 E C -0.007 176.580 176.600 -0.021 0.000 0.993 178 E CA 1.115 57.507 56.400 -0.014 0.000 0.819 178 E CB 0.289 29.995 29.700 0.011 0.000 0.745 178 E HN 0.458 nan 8.360 nan 0.000 0.477 179 E N 0.204 120.409 120.200 0.007 0.000 2.423 179 E HA 0.182 4.534 4.350 0.002 0.000 0.198 179 E C -0.523 176.089 176.600 0.020 0.000 1.038 179 E CA 0.052 56.448 56.400 -0.006 0.000 1.011 179 E CB 0.641 30.338 29.700 -0.004 0.000 1.118 179 E HN 0.258 nan 8.360 nan 0.000 0.451 180 A N 1.414 124.230 122.820 -0.006 0.000 2.488 180 A HA 0.064 4.385 4.320 0.002 0.000 0.249 180 A C 1.149 178.758 177.584 0.043 0.000 1.083 180 A CA -0.332 51.730 52.037 0.042 0.000 0.768 180 A CB 0.258 19.109 19.000 -0.249 0.000 1.017 180 A HN 0.031 nan 8.150 nan 0.000 0.496 181 N N 0.691 119.472 118.700 0.135 0.000 2.149 181 N HA -0.141 4.600 4.740 0.002 0.000 0.188 181 N C 0.002 175.305 175.510 -0.345 0.000 1.019 181 N CA 1.770 54.767 53.050 -0.088 0.000 0.857 181 N CB -0.274 38.218 38.487 0.009 0.000 0.997 181 N HN 0.805 nan 8.380 nan 0.000 0.426 182 Y N -0.035 120.321 120.300 0.093 0.000 2.716 182 Y HA 0.171 4.722 4.550 0.002 0.000 0.260 182 Y C -0.274 175.632 175.900 0.011 0.000 1.141 182 Y CA -1.239 56.897 58.100 0.060 0.000 1.168 182 Y CB -0.228 38.288 38.460 0.094 0.000 1.189 182 Y HN -0.072 nan 8.280 nan 0.000 0.549 183 D N 2.094 122.520 120.400 0.042 0.000 2.803 183 D HA -0.220 4.422 4.640 0.002 0.000 0.233 183 D C -0.604 175.681 176.300 -0.025 0.000 1.182 183 D CA 1.317 55.305 54.000 -0.020 0.000 0.726 183 D CB -0.476 40.320 40.800 -0.008 0.000 0.987 183 D HN 0.716 nan 8.370 nan 0.000 0.412 184 E N -0.096 120.049 120.200 -0.092 0.000 2.367 184 E HA 0.494 4.845 4.350 0.002 0.000 0.273 184 E C -0.040 176.373 176.600 -0.313 0.000 0.903 184 E CA -1.412 54.927 56.400 -0.103 0.000 0.764 184 E CB 1.106 30.820 29.700 0.023 0.000 1.252 184 E HN 0.380 nan 8.360 nan 0.000 0.446 185 R N 0.715 121.092 120.500 -0.204 0.000 2.582 185 R HA 0.280 4.621 4.340 0.002 0.000 0.271 185 R C -0.449 175.731 176.300 -0.200 0.000 1.078 185 R CA -0.381 55.579 56.100 -0.233 0.000 1.127 185 R CB 0.415 30.686 30.300 -0.049 0.000 1.038 185 R HN 0.661 nan 8.270 nan 0.000 0.500 186 F N -0.644 119.119 119.950 -0.310 0.000 2.704 186 F HA 0.268 4.796 4.527 0.002 0.000 0.304 186 F C -0.070 175.400 175.800 -0.550 0.000 1.094 186 F CA -0.928 56.683 58.000 -0.650 0.000 1.275 186 F CB 0.552 39.037 39.000 -0.858 0.000 1.073 186 F HN 0.373 nan 8.300 nan 0.000 0.586 187 W N 1.043 122.400 121.300 0.095 0.000 2.606 187 W HA 0.387 5.048 4.660 0.002 0.000 0.332 187 W C -0.681 175.869 176.519 0.053 0.000 1.052 187 W CA -0.661 56.732 57.345 0.080 0.000 1.223 187 W CB 0.994 30.495 29.460 0.069 0.000 1.383 187 W HN -0.308 nan 8.180 nan 0.000 0.524 188 D N 1.648 122.262 120.400 0.356 0.000 2.502 188 D HA 0.300 4.941 4.640 0.002 0.000 0.249 188 D C -0.888 175.525 176.300 0.188 0.000 1.092 188 D CA -0.488 53.635 54.000 0.205 0.000 0.839 188 D CB 2.592 43.477 40.800 0.143 0.000 1.264 188 D HN -0.051 nan 8.370 nan 0.000 0.511 189 V N 3.832 123.818 119.914 0.120 0.000 2.488 189 V HA 0.118 4.239 4.120 0.002 0.000 0.277 189 V C 1.563 177.694 176.094 0.061 0.000 1.046 189 V CA 0.014 62.358 62.300 0.074 0.000 0.986 189 V CB 1.226 33.076 31.823 0.044 0.000 0.989 189 V HN 0.489 nan 8.190 nan 0.000 0.475 190 L N 3.825 125.079 121.223 0.051 0.000 2.286 190 L HA 0.494 4.835 4.340 0.002 0.000 0.203 190 L C 0.865 177.751 176.870 0.026 0.000 1.068 190 L CA 0.822 55.687 54.840 0.041 0.000 0.811 190 L CB 0.093 42.178 42.059 0.043 0.000 0.989 190 L HN 0.735 nan 8.230 nan 0.000 0.467 191 A N -0.095 122.736 122.820 0.018 0.000 2.547 191 A HA 0.606 4.927 4.320 0.002 0.000 0.297 191 A C -0.608 176.982 177.584 0.010 0.000 1.056 191 A CA -0.329 51.717 52.037 0.015 0.000 0.688 191 A CB 1.300 20.309 19.000 0.015 0.000 1.282 191 A HN 0.078 nan 8.150 nan 0.000 0.400 192 T N -1.215 113.348 114.554 0.014 0.000 2.876 192 T HA 0.735 5.086 4.350 0.002 0.000 0.289 192 T C -1.270 173.443 174.700 0.021 0.000 1.014 192 T CA -0.443 61.665 62.100 0.014 0.000 0.986 192 T CB 1.836 70.711 68.868 0.012 0.000 1.021 192 T HN 0.681 nan 8.240 nan 0.000 0.458 193 D N 0.883 121.299 120.400 0.026 0.000 2.936 193 D HA 0.367 5.008 4.640 0.002 0.000 0.238 193 D C -1.098 175.218 176.300 0.026 0.000 1.248 193 D CA -0.316 53.701 54.000 0.029 0.000 0.903 193 D CB 1.934 42.763 40.800 0.048 0.000 1.544 193 D HN 0.674 nan 8.370 nan 0.000 0.543 194 Q N 2.994 122.805 119.800 0.018 0.000 2.321 194 Q HA 0.453 4.794 4.340 0.002 0.000 0.270 194 Q C -1.204 174.801 176.000 0.008 0.000 1.032 194 Q CA -0.556 55.257 55.803 0.016 0.000 0.784 194 Q CB 1.467 30.212 28.738 0.012 0.000 1.264 194 Q HN 0.540 nan 8.270 nan 0.000 0.448 195 Q N 1.205 121.011 119.800 0.009 0.000 2.892 195 Q HA 0.592 4.933 4.340 0.002 0.000 0.307 195 Q C 0.151 176.149 176.000 -0.005 0.000 1.039 195 Q CA -0.299 55.504 55.803 -0.000 0.000 0.792 195 Q CB 1.288 30.026 28.738 0.000 0.000 1.504 195 Q HN 0.758 nan 8.270 nan 0.000 0.487 196 A N 0.720 123.530 122.820 -0.016 0.000 1.930 196 A HA -0.165 4.157 4.320 0.002 0.000 0.217 196 A C 0.978 178.555 177.584 -0.012 0.000 1.175 196 A CA 2.246 54.258 52.037 -0.042 0.000 0.627 196 A CB -0.311 18.660 19.000 -0.048 0.000 0.815 196 A HN 0.778 nan 8.150 nan 0.000 0.443 197 D N -1.958 118.469 120.400 0.046 0.000 2.469 197 D HA 0.190 4.831 4.640 0.002 0.000 0.215 197 D C 0.467 176.833 176.300 0.109 0.000 1.154 197 D CA -0.191 53.885 54.000 0.126 0.000 0.832 197 D CB 0.078 40.942 40.800 0.107 0.000 1.008 197 D HN 0.472 nan 8.370 nan 0.000 0.506 198 R N -1.325 119.218 120.500 0.073 0.000 2.795 198 R HA 0.800 5.141 4.340 0.002 0.000 0.268 198 R C -0.614 175.718 176.300 0.054 0.000 1.041 198 R CA -1.181 54.955 56.100 0.060 0.000 0.927 198 R CB 2.076 32.400 30.300 0.039 0.000 1.235 198 R HN 0.038 nan 8.270 nan 0.000 0.463 199 G N -0.084 108.748 108.800 0.052 0.000 2.655 199 G HA2 0.485 4.447 3.960 0.002 0.000 0.296 199 G HA3 0.485 4.447 3.960 0.002 0.000 0.296 199 G C -1.491 173.434 174.900 0.042 0.000 1.485 199 G CA -0.474 44.654 45.100 0.046 0.000 0.869 199 G HN 0.664 nan 8.290 nan 0.000 0.540 200 S N -0.249 115.473 115.700 0.036 0.000 2.547 200 S HA 0.811 5.283 4.470 0.002 0.000 0.270 200 S C -1.228 173.373 174.600 0.002 0.000 1.150 200 S CA -0.857 57.354 58.200 0.017 0.000 0.850 200 S CB 1.759 64.980 63.200 0.036 0.000 1.118 200 S HN 0.837 nan 8.310 nan 0.000 0.461 201 I N 1.627 122.182 120.570 -0.026 0.000 2.569 201 I HA 0.492 4.663 4.170 0.002 0.000 0.290 201 I C -1.267 174.812 176.117 -0.064 0.000 1.088 201 I CA -1.064 60.213 61.300 -0.037 0.000 1.047 201 I CB 2.365 40.337 38.000 -0.048 0.000 1.237 201 I HN 0.524 nan 8.210 nan 0.000 0.421 202 V N 5.227 125.113 119.914 -0.047 0.000 2.378 202 V HA 0.745 4.866 4.120 0.002 0.000 0.288 202 V C 0.129 176.209 176.094 -0.024 0.000 1.016 202 V CA -0.325 61.947 62.300 -0.046 0.000 0.840 202 V CB 1.387 33.191 31.823 -0.031 0.000 0.994 202 V HN 0.835 nan 8.190 nan 0.000 0.431 203 A N 5.022 127.816 122.820 -0.043 0.000 2.384 203 A HA 0.961 5.283 4.320 0.002 0.000 0.312 203 A C -0.670 177.048 177.584 0.224 0.000 1.113 203 A CA -0.825 51.231 52.037 0.032 0.000 0.779 203 A CB 1.971 20.864 19.000 -0.178 0.000 1.307 203 A HN 0.722 nan 8.150 nan 0.000 0.436 204 K N 0.412 121.058 120.400 0.409 0.000 2.501 204 K HA 0.511 4.832 4.320 0.002 0.000 0.252 204 K C -0.395 176.468 176.600 0.438 0.000 0.934 204 K CA -0.313 56.230 56.287 0.426 0.000 0.797 204 K CB 1.644 34.263 32.500 0.199 0.000 1.270 204 K HN 0.904 nan 8.250 nan 0.000 0.431 205 T N 0.400 115.092 114.554 0.229 0.000 2.940 205 T HA 0.048 4.399 4.350 0.002 0.000 0.309 205 T C 0.699 175.438 174.700 0.065 0.000 1.056 205 T CA -0.337 61.727 62.100 -0.060 0.000 1.137 205 T CB 0.407 69.181 68.868 -0.157 0.000 0.976 205 T HN 0.679 nan 8.240 nan 0.000 0.547 206 T N 1.255 115.864 114.554 0.092 0.000 2.855 206 T HA 0.272 4.623 4.350 0.002 0.000 0.322 206 T C -2.114 172.652 174.700 0.109 0.000 1.088 206 T CA -1.331 60.836 62.100 0.112 0.000 1.104 206 T CB -0.305 68.627 68.868 0.106 0.000 0.996 206 T HN 0.635 nan 8.240 nan 0.000 0.549 207 P HA 0.201 nan 4.420 nan 0.000 0.271 207 P C -0.811 176.431 177.300 -0.096 0.000 1.233 207 P CA -0.359 62.705 63.100 -0.060 0.000 0.789 207 P CB 0.305 31.967 31.700 -0.063 0.000 0.951 208 N N -0.441 118.126 118.700 -0.221 0.000 2.416 208 N HA 0.469 5.210 4.740 0.002 0.000 0.276 208 N C -2.445 172.821 175.510 -0.407 0.000 1.261 208 N CA -1.500 51.345 53.050 -0.341 0.000 0.790 208 N CB 0.667 38.890 38.487 -0.440 0.000 1.554 208 N HN 0.152 nan 8.380 nan 0.000 0.481 209 P HA 0.264 nan 4.420 nan 0.000 0.266 209 P C -0.594 176.387 177.300 -0.532 0.000 1.381 209 P CA 0.096 62.856 63.100 -0.568 0.000 0.940 209 P CB -0.145 31.206 31.700 -0.581 0.000 1.435 210 F N -0.244 119.638 119.950 -0.113 0.000 2.727 210 F HA 0.367 4.895 4.527 0.002 0.000 0.302 210 F C 1.760 177.513 175.800 -0.079 0.000 1.097 210 F CA 0.189 58.152 58.000 -0.062 0.000 1.330 210 F CB -0.218 38.706 39.000 -0.127 0.000 1.084 210 F HN 0.004 nan 8.300 nan 0.000 0.578 211 G N 1.611 110.396 108.800 -0.025 0.000 2.168 211 G HA2 -0.323 3.639 3.960 0.002 0.000 0.257 211 G HA3 -0.323 3.639 3.960 0.002 0.000 0.257 211 G C 0.331 175.191 174.900 -0.068 0.000 0.997 211 G CA 0.584 45.659 45.100 -0.042 0.000 0.708 211 G HN 0.458 nan 8.290 nan 0.000 0.520 212 T N -0.939 113.528 114.554 -0.145 0.000 2.918 212 T HA 0.679 5.030 4.350 0.002 0.000 0.283 212 T C -1.729 172.741 174.700 -0.383 0.000 1.001 212 T CA -1.243 60.727 62.100 -0.216 0.000 1.041 212 T CB 2.316 70.978 68.868 -0.343 0.000 1.028 212 T HN 0.192 nan 8.240 nan 0.000 0.511 213 P HA 0.165 nan 4.420 nan 0.000 0.268 213 P C -0.484 176.237 177.300 -0.965 0.000 1.205 213 P CA -0.331 62.375 63.100 -0.657 0.000 0.771 213 P CB 0.615 31.918 31.700 -0.662 0.000 0.858 214 R N 2.238 122.285 120.500 -0.756 0.000 2.486 214 R HA 0.520 4.861 4.340 0.002 0.000 0.286 214 R C -0.325 175.553 176.300 -0.704 0.000 0.999 214 R CA -0.523 55.227 56.100 -0.583 0.000 0.993 214 R CB 0.757 30.883 30.300 -0.289 0.000 1.084 214 R HN 0.434 nan 8.270 nan 0.000 0.487 215 F N -0.215 119.673 119.950 -0.103 0.000 2.495 215 F HA 0.320 4.849 4.527 0.002 0.000 0.327 215 F C 0.500 176.421 175.800 0.201 0.000 1.103 215 F CA -0.609 57.411 58.000 0.034 0.000 0.949 215 F CB 2.221 41.242 39.000 0.035 0.000 1.142 215 F HN 0.226 nan 8.300 nan 0.000 0.457 216 T N 1.574 116.336 114.554 0.346 0.000 2.797 216 T HA 0.511 4.862 4.350 0.002 0.000 0.279 216 T C -0.485 174.359 174.700 0.240 0.000 0.991 216 T CA -0.824 61.442 62.100 0.277 0.000 0.979 216 T CB 1.213 70.173 68.868 0.154 0.000 0.943 216 T HN 0.618 nan 8.240 nan 0.000 0.444 217 S N 1.642 117.425 115.700 0.138 0.000 2.503 217 S HA 0.840 5.312 4.470 0.002 0.000 0.301 217 S C -0.157 174.415 174.600 -0.047 0.000 1.087 217 S CA -0.973 57.240 58.200 0.021 0.000 1.042 217 S CB 1.899 65.023 63.200 -0.127 0.000 1.043 217 S HN 0.907 nan 8.310 nan 0.000 0.489 218 G N 2.009 110.776 108.800 -0.054 0.000 2.626 218 G HA2 0.617 4.579 3.960 0.002 0.000 0.304 218 G HA3 0.617 4.579 3.960 0.002 0.000 0.304 218 G C -1.040 173.787 174.900 -0.122 0.000 1.385 218 G CA -0.856 44.184 45.100 -0.101 0.000 0.957 218 G HN 0.674 nan 8.290 nan 0.000 0.504 219 M N 1.936 121.461 119.600 -0.126 0.000 2.259 219 M HA 0.429 4.911 4.480 0.002 0.000 0.304 219 M C -0.682 175.557 176.300 -0.101 0.000 1.019 219 M CA -0.566 54.647 55.300 -0.145 0.000 0.922 219 M CB 2.952 35.477 32.600 -0.125 0.000 1.600 219 M HN 0.581 nan 8.290 nan 0.000 0.433 220 E N 4.861 124.997 120.200 -0.106 0.000 2.234 220 E HA 0.659 5.011 4.350 0.002 0.000 0.266 220 E C -1.451 175.126 176.600 -0.038 0.000 0.877 220 E CA -0.788 55.585 56.400 -0.045 0.000 0.758 220 E CB 1.715 31.404 29.700 -0.019 0.000 1.170 220 E HN 0.774 nan 8.360 nan 0.000 0.415 221 M N 2.500 122.101 119.600 0.002 0.000 2.404 221 M HA 0.699 5.181 4.480 0.002 0.000 0.338 221 M C -0.709 175.606 176.300 0.025 0.000 1.150 221 M CA -0.857 54.451 55.300 0.013 0.000 1.016 221 M CB 1.856 34.482 32.600 0.043 0.000 1.672 221 M HN 0.183 nan 8.290 nan 0.000 0.448 222 R N 2.409 122.918 120.500 0.014 0.000 2.795 222 R HA 0.881 5.223 4.340 0.002 0.000 0.275 222 R C -1.677 174.624 176.300 0.002 0.000 0.981 222 R CA -0.568 55.542 56.100 0.018 0.000 0.917 222 R CB 2.109 32.415 30.300 0.010 0.000 1.202 222 R HN 0.924 nan 8.270 nan 0.000 0.469 223 L N 0.486 121.704 121.223 -0.007 0.000 2.327 223 L HA 0.794 5.135 4.340 0.002 0.000 0.258 223 L C -0.890 175.933 176.870 -0.078 0.000 1.024 223 L CA -1.246 53.550 54.840 -0.075 0.000 0.825 223 L CB 2.431 44.383 42.059 -0.179 0.000 1.386 223 L HN 0.148 nan 8.230 nan 0.000 0.417 224 V N 0.119 119.961 119.914 -0.120 0.000 2.567 224 V HA 0.718 4.839 4.120 0.002 0.000 0.298 224 V C -0.578 175.425 176.094 -0.152 0.000 1.047 224 V CA -0.261 61.985 62.300 -0.090 0.000 0.880 224 V CB 1.831 33.636 31.823 -0.031 0.000 1.009 224 V HN 0.872 nan 8.190 nan 0.000 0.429 225 T N 1.630 116.094 114.554 -0.150 0.000 2.786 225 T HA 0.372 4.723 4.350 0.002 0.000 0.316 225 T C -1.030 173.622 174.700 -0.080 0.000 1.503 225 T CA -0.061 61.941 62.100 -0.163 0.000 1.019 225 T CB 2.014 70.697 68.868 -0.308 0.000 1.415 225 T HN 0.794 nan 8.240 nan 0.000 0.496 226 D N 1.946 122.309 120.400 -0.063 0.000 2.402 226 D HA 0.249 4.890 4.640 0.002 0.000 0.216 226 D C 0.637 176.939 176.300 0.004 0.000 1.128 226 D CA -0.164 53.822 54.000 -0.023 0.000 0.833 226 D CB -0.127 40.654 40.800 -0.032 0.000 0.971 226 D HN 0.394 nan 8.370 nan 0.000 0.503 227 L N 0.188 121.422 121.223 0.019 0.000 2.439 227 L HA 0.305 4.646 4.340 0.002 0.000 0.259 227 L C 0.705 177.671 176.870 0.161 0.000 1.129 227 L CA -0.932 53.954 54.840 0.077 0.000 0.803 227 L CB 1.119 43.234 42.059 0.094 0.000 1.161 227 L HN -0.153 nan 8.230 nan 0.000 0.462 228 K N 1.699 122.174 120.400 0.126 0.000 2.234 228 K HA 0.129 4.450 4.320 0.002 0.000 0.282 228 K C -0.331 176.299 176.600 0.049 0.000 1.039 228 K CA -0.539 55.801 56.287 0.089 0.000 0.928 228 K CB 0.793 33.312 32.500 0.032 0.000 1.039 228 K HN 0.455 nan 8.250 nan 0.000 0.470 229 N N 2.364 121.036 118.700 -0.046 0.000 2.518 229 N HA 0.101 4.842 4.740 0.002 0.000 0.266 229 N C -1.380 173.978 175.510 -0.253 0.000 1.196 229 N CA -0.224 52.590 53.050 -0.393 0.000 0.947 229 N CB 0.792 39.050 38.487 -0.383 0.000 1.098 229 N HN 0.219 nan 8.380 nan 0.000 0.450 230 V N 1.521 121.255 119.914 -0.299 0.000 2.823 230 V HA 0.689 4.810 4.120 0.002 0.000 0.312 230 V C -0.025 175.978 176.094 -0.152 0.000 1.072 230 V CA -1.249 60.954 62.300 -0.162 0.000 0.937 230 V CB 1.464 33.225 31.823 -0.104 0.000 1.013 230 V HN 0.895 nan 8.190 nan 0.000 0.430 231 A N 4.466 127.228 122.820 -0.097 0.000 2.440 231 A HA 0.728 5.049 4.320 0.002 0.000 0.251 231 A C -0.522 177.027 177.584 -0.059 0.000 1.089 231 A CA 0.155 52.146 52.037 -0.075 0.000 0.779 231 A CB 0.056 19.025 19.000 -0.052 0.000 1.022 231 A HN 0.909 nan 8.150 nan 0.000 0.492 232 I N 1.846 122.386 120.570 -0.051 0.000 2.752 232 I HA 0.453 4.624 4.170 0.002 0.000 0.295 232 I C 0.240 176.345 176.117 -0.020 0.000 1.219 232 I CA -0.344 60.937 61.300 -0.031 0.000 1.030 232 I CB 2.394 40.377 38.000 -0.028 0.000 1.259 232 I HN 0.801 nan 8.210 nan 0.000 0.423 233 T N 3.008 117.555 114.554 -0.012 0.000 2.909 233 T HA 0.259 4.610 4.350 0.002 0.000 0.289 233 T C -0.101 174.599 174.700 -0.001 0.000 1.005 233 T CA -0.400 61.696 62.100 -0.007 0.000 1.084 233 T CB 1.359 70.224 68.868 -0.004 0.000 0.975 233 T HN 0.723 nan 8.240 nan 0.000 0.509 234 Q N 3.444 123.245 119.800 0.001 0.000 2.244 234 Q HA 0.110 4.451 4.340 0.002 0.000 0.278 234 Q C -1.112 174.892 176.000 0.007 0.000 1.093 234 Q CA -1.602 54.205 55.803 0.006 0.000 0.916 234 Q CB 0.838 29.580 28.738 0.007 0.000 1.159 234 Q HN 0.594 nan 8.270 nan 0.000 0.384 235 P HA -0.078 nan 4.420 nan 0.000 0.219 235 P C -0.568 176.739 177.300 0.011 0.000 1.150 235 P CA 1.092 64.198 63.100 0.011 0.000 0.814 235 P CB 0.525 32.233 31.700 0.014 0.000 0.787 236 N N -1.526 117.181 118.700 0.012 0.000 2.825 236 N HA 0.080 4.821 4.740 0.002 0.000 0.253 236 N C 0.331 175.849 175.510 0.013 0.000 1.426 236 N CA -0.551 52.506 53.050 0.012 0.000 0.851 236 N CB 0.985 39.480 38.487 0.014 0.000 1.470 236 N HN -0.222 nan 8.380 nan 0.000 0.517 237 E N 0.589 120.798 120.200 0.014 0.000 2.482 237 E HA 0.020 4.371 4.350 0.002 0.000 0.196 237 E C 0.048 176.658 176.600 0.017 0.000 1.047 237 E CA 0.833 57.242 56.400 0.015 0.000 0.869 237 E CB 0.156 29.866 29.700 0.017 0.000 0.836 237 E HN 0.395 nan 8.360 nan 0.000 0.520 238 K N 0.493 120.903 120.400 0.017 0.000 2.414 238 K HA 0.172 4.494 4.320 0.002 0.000 0.204 238 K C 0.170 176.775 176.600 0.008 0.000 1.026 238 K CA -0.031 56.265 56.287 0.015 0.000 1.108 238 K CB 1.116 33.629 32.500 0.022 0.000 0.855 238 K HN -0.043 nan 8.250 nan 0.000 0.517 239 E N 1.222 121.429 120.200 0.011 0.000 2.335 239 E HA 0.224 4.576 4.350 0.002 0.000 0.280 239 E C -1.517 175.093 176.600 0.016 0.000 0.918 239 E CA -0.858 55.549 56.400 0.012 0.000 0.765 239 E CB 2.026 31.735 29.700 0.015 0.000 1.218 239 E HN -0.033 nan 8.360 nan 0.000 0.425 240 V N 0.401 120.327 119.914 0.020 0.000 2.769 240 V HA 0.904 5.025 4.120 0.002 0.000 0.312 240 V C -0.485 175.629 176.094 0.034 0.000 1.061 240 V CA -0.311 62.003 62.300 0.024 0.000 0.931 240 V CB 1.608 33.446 31.823 0.024 0.000 1.010 240 V HN 0.681 nan 8.190 nan 0.000 0.433 241 T N 2.030 116.604 114.554 0.033 0.000 2.843 241 T HA 0.819 5.170 4.350 0.002 0.000 0.302 241 T C -0.468 174.258 174.700 0.042 0.000 1.232 241 T CA 0.373 62.500 62.100 0.045 0.000 1.009 241 T CB 2.043 70.935 68.868 0.039 0.000 1.254 241 T HN 1.534 nan 8.240 nan 0.000 0.504 242 T N -0.086 114.510 114.554 0.069 0.000 2.916 242 T HA 0.899 5.250 4.350 0.002 0.000 0.292 242 T C -0.857 173.870 174.700 0.046 0.000 1.064 242 T CA -0.816 61.315 62.100 0.051 0.000 1.011 242 T CB 1.674 70.650 68.868 0.181 0.000 1.152 242 T HN 1.046 nan 8.240 nan 0.000 0.510 243 A N 1.042 123.793 122.820 -0.115 0.000 2.427 243 A HA 0.736 5.058 4.320 0.002 0.000 0.298 243 A C -1.974 175.437 177.584 -0.288 0.000 1.036 243 A CA -0.865 51.130 52.037 -0.071 0.000 0.701 243 A CB 0.994 19.956 19.000 -0.064 0.000 1.250 243 A HN 0.782 nan 8.150 nan 0.000 0.412 244 Y N 0.322 120.623 120.300 0.001 0.000 2.406 244 Y HA 0.716 5.267 4.550 0.002 0.000 0.340 244 Y C 0.553 176.448 175.900 -0.008 0.000 0.975 244 Y CA -0.330 57.767 58.100 -0.005 0.000 1.056 244 Y CB 2.739 41.194 38.460 -0.009 0.000 1.210 244 Y HN 0.709 nan 8.280 nan 0.000 0.448 245 T N 1.264 115.883 114.554 0.108 0.000 2.887 245 T HA 0.900 5.251 4.350 0.002 0.000 0.292 245 T C -0.777 173.951 174.700 0.047 0.000 1.087 245 T CA -0.603 61.534 62.100 0.061 0.000 1.009 245 T CB 1.654 70.538 68.868 0.027 0.000 1.203 245 T HN 0.937 nan 8.240 nan 0.000 0.518 246 G N 1.686 110.502 108.800 0.026 0.000 2.768 246 G HA2 0.492 4.454 3.960 0.002 0.000 0.297 246 G HA3 0.492 4.454 3.960 0.002 0.000 0.297 246 G C -1.659 173.245 174.900 0.005 0.000 1.430 246 G CA -0.678 44.430 45.100 0.014 0.000 1.030 246 G HN 0.718 nan 8.290 nan 0.000 0.553 247 K N 2.990 123.391 120.400 0.002 0.000 2.257 247 K HA 0.452 4.773 4.320 0.002 0.000 0.270 247 K C -0.201 176.396 176.600 -0.004 0.000 1.098 247 K CA -0.546 55.741 56.287 -0.000 0.000 0.943 247 K CB 0.242 32.742 32.500 0.000 0.000 1.316 247 K HN 0.384 nan 8.250 nan 0.000 0.447 248 L N 3.824 125.043 121.223 -0.007 0.000 2.331 248 L HA 0.333 4.674 4.340 0.002 0.000 0.278 248 L C 0.642 177.505 176.870 -0.010 0.000 1.106 248 L CA -0.625 54.208 54.840 -0.012 0.000 0.824 248 L CB 1.279 43.327 42.059 -0.019 0.000 1.142 248 L HN 0.653 nan 8.230 nan 0.000 0.443 249 A N 5.458 128.272 122.820 -0.011 0.000 2.296 249 A HA 0.540 4.862 4.320 0.002 0.000 0.264 249 A C -2.320 175.257 177.584 -0.011 0.000 1.097 249 A CA -1.370 50.662 52.037 -0.009 0.000 0.811 249 A CB -0.263 18.731 19.000 -0.009 0.000 1.072 249 A HN 0.472 nan 8.150 nan 0.000 0.495 250 P HA 0.103 nan 4.420 nan 0.000 0.264 250 P C -0.368 176.925 177.300 -0.013 0.000 1.193 250 P CA 0.630 63.724 63.100 -0.009 0.000 0.763 250 P CB 0.453 32.149 31.700 -0.006 0.000 0.810 251 Q N -1.377 118.413 119.800 -0.016 0.000 2.362 251 Q HA -0.231 4.110 4.340 0.002 0.000 0.220 251 Q C 0.226 176.211 176.000 -0.025 0.000 0.713 251 Q CA 1.612 57.403 55.803 -0.020 0.000 1.345 251 Q CB -2.548 26.180 28.738 -0.017 0.000 1.570 251 Q HN 0.655 nan 8.270 nan 0.000 0.701 252 A N 0.343 123.148 122.820 -0.025 0.000 2.302 252 A HA 0.676 4.998 4.320 0.002 0.000 0.285 252 A C 0.345 177.906 177.584 -0.039 0.000 1.105 252 A CA 0.147 52.167 52.037 -0.028 0.000 0.816 252 A CB 0.955 19.942 19.000 -0.023 0.000 1.067 252 A HN 0.141 nan 8.150 nan 0.000 0.489 253 S N -0.894 114.779 115.700 -0.045 0.000 2.634 253 S HA 0.881 5.352 4.470 0.002 0.000 0.296 253 S C -0.350 174.212 174.600 -0.062 0.000 1.104 253 S CA 0.055 58.218 58.200 -0.061 0.000 0.920 253 S CB 1.902 65.060 63.200 -0.069 0.000 1.111 253 S HN 1.654 nan 8.310 nan 0.000 0.493 254 A N 1.281 124.053 122.820 -0.081 0.000 2.587 254 A HA 0.839 5.160 4.320 0.002 0.000 0.293 254 A C -1.425 176.089 177.584 -0.117 0.000 1.087 254 A CA -0.845 51.143 52.037 -0.082 0.000 0.692 254 A CB 1.511 20.473 19.000 -0.064 0.000 1.291 254 A HN 0.865 nan 8.150 nan 0.000 0.407 255 E N 0.200 120.326 120.200 -0.123 0.000 2.413 255 E HA 0.771 5.122 4.350 0.002 0.000 0.277 255 E C -1.839 174.660 176.600 -0.167 0.000 0.958 255 E CA -0.818 55.484 56.400 -0.162 0.000 0.779 255 E CB 2.004 31.599 29.700 -0.173 0.000 1.278 255 E HN 0.907 nan 8.360 nan 0.000 0.456 256 L N 0.498 121.605 121.223 -0.194 0.000 2.482 256 L HA 0.519 4.860 4.340 0.002 0.000 0.263 256 L C -1.669 175.093 176.870 -0.179 0.000 0.957 256 L CA -0.341 54.377 54.840 -0.203 0.000 0.836 256 L CB 2.223 44.148 42.059 -0.222 0.000 1.324 256 L HN 0.715 nan 8.230 nan 0.000 0.406 257 E N 3.707 123.816 120.200 -0.152 0.000 2.183 257 E HA 0.380 4.732 4.350 0.002 0.000 0.271 257 E C -1.401 175.163 176.600 -0.060 0.000 0.919 257 E CA -0.859 55.494 56.400 -0.079 0.000 0.781 257 E CB 2.362 32.055 29.700 -0.011 0.000 1.140 257 E HN 0.283 nan 8.360 nan 0.000 0.402 258 K N 3.151 123.541 120.400 -0.016 0.000 2.507 258 K HA 0.351 4.672 4.320 0.002 0.000 0.253 258 K C -1.078 175.521 176.600 -0.001 0.000 0.969 258 K CA -0.745 55.538 56.287 -0.007 0.000 0.908 258 K CB 0.712 33.224 32.500 0.020 0.000 1.127 258 K HN 0.276 nan 8.250 nan 0.000 0.437 259 R N 2.158 122.651 120.500 -0.012 0.000 2.207 259 R HA 0.341 4.682 4.340 0.002 0.000 0.334 259 R C -0.947 175.322 176.300 -0.051 0.000 1.013 259 R CA -0.476 55.602 56.100 -0.038 0.000 0.858 259 R CB 1.664 31.948 30.300 -0.026 0.000 1.094 259 R HN 0.208 nan 8.270 nan 0.000 0.457 260 V N 5.035 124.894 119.914 -0.091 0.000 2.409 260 V HA 0.397 4.519 4.120 0.002 0.000 0.291 260 V C -0.136 175.815 176.094 -0.239 0.000 1.020 260 V CA -0.808 61.397 62.300 -0.158 0.000 0.848 260 V CB 1.724 33.425 31.823 -0.204 0.000 0.990 260 V HN 0.600 nan 8.190 nan 0.000 0.430 261 I N 5.297 125.747 120.570 -0.201 0.000 2.353 261 I HA 0.438 4.609 4.170 0.002 0.000 0.293 261 I C -0.171 175.807 176.117 -0.232 0.000 0.992 261 I CA -0.290 60.897 61.300 -0.189 0.000 1.268 261 I CB 1.848 39.775 38.000 -0.121 0.000 1.387 261 I HN 0.276 nan 8.210 nan 0.000 0.478 262 V N 7.329 127.124 119.914 -0.199 0.000 2.407 262 V HA 0.457 4.578 4.120 0.002 0.000 0.291 262 V C -0.052 176.103 176.094 0.101 0.000 1.018 262 V CA -0.698 61.530 62.300 -0.120 0.000 0.842 262 V CB 2.016 33.740 31.823 -0.165 0.000 0.996 262 V HN 0.537 nan 8.190 nan 0.000 0.426 263 V N 1.972 121.939 119.914 0.087 0.000 2.960 263 V HA 1.037 5.158 4.120 0.002 0.000 0.315 263 V C -0.107 176.121 176.094 0.223 0.000 1.087 263 V CA -0.380 62.056 62.300 0.226 0.000 0.982 263 V CB 2.040 33.909 31.823 0.078 0.000 1.039 263 V HN 0.914 nan 8.190 nan 0.000 0.437 264 T N -1.381 113.373 114.554 0.333 0.000 2.883 264 T HA 0.458 4.810 4.350 0.002 0.000 0.296 264 T C 0.941 175.843 174.700 0.337 0.000 1.117 264 T CA 0.109 62.373 62.100 0.273 0.000 1.006 264 T CB 1.528 70.517 68.868 0.203 0.000 1.191 264 T HN 1.562 nan 8.240 nan 0.000 0.508 265 S N 0.677 116.556 115.700 0.298 0.000 2.500 265 S HA -0.135 4.336 4.470 0.002 0.000 0.239 265 S C 1.714 176.451 174.600 0.229 0.000 0.989 265 S CA 0.504 58.858 58.200 0.257 0.000 0.951 265 S CB -0.752 62.559 63.200 0.184 0.000 0.759 265 S HN 0.869 nan 8.310 nan 0.000 0.523 266 R N 0.858 121.519 120.500 0.269 0.000 2.307 266 R HA 0.153 4.494 4.340 0.002 0.000 0.199 266 R C 0.178 176.538 176.300 0.100 0.000 1.000 266 R CA 0.996 57.225 56.100 0.215 0.000 1.023 266 R CB -0.350 30.115 30.300 0.275 0.000 0.908 266 R HN 0.354 nan 8.270 nan 0.000 0.473 267 D N -0.616 119.809 120.400 0.042 0.000 2.474 267 D HA 0.114 4.755 4.640 0.002 0.000 0.213 267 D C -0.635 175.274 176.300 -0.651 0.000 1.120 267 D CA 0.321 54.169 54.000 -0.253 0.000 0.836 267 D CB 0.467 41.097 40.800 -0.283 0.000 1.019 267 D HN 0.121 nan 8.370 nan 0.000 0.507 268 Y N 0.467 120.816 120.300 0.081 0.000 2.457 268 Y HA 0.234 4.785 4.550 0.002 0.000 0.343 268 Y C 0.881 176.810 175.900 0.047 0.000 0.994 268 Y CA -0.953 57.180 58.100 0.055 0.000 1.031 268 Y CB 1.905 40.392 38.460 0.045 0.000 1.246 268 Y HN -0.337 nan 8.280 nan 0.000 0.449 269 D N 0.854 121.346 120.400 0.154 0.000 2.317 269 D HA -0.026 4.615 4.640 0.002 0.000 0.211 269 D C 0.483 176.833 176.300 0.083 0.000 0.966 269 D CA 1.150 55.205 54.000 0.093 0.000 0.876 269 D CB 0.487 41.324 40.800 0.062 0.000 0.927 269 D HN 0.648 nan 8.370 nan 0.000 0.519 270 T N -3.702 110.913 114.554 0.102 0.000 2.864 270 T HA 0.206 4.557 4.350 0.002 0.000 0.299 270 T C 0.695 175.429 174.700 0.056 0.000 1.166 270 T CA -0.774 61.365 62.100 0.063 0.000 1.007 270 T CB 2.739 71.635 68.868 0.047 0.000 1.219 270 T HN -0.228 nan 8.240 nan 0.000 0.506 271 Q N 0.115 119.935 119.800 0.033 0.000 2.084 271 Q HA -0.176 4.166 4.340 0.002 0.000 0.202 271 Q C 1.939 177.934 176.000 -0.009 0.000 0.978 271 Q CA 2.039 57.851 55.803 0.015 0.000 0.844 271 Q CB -0.081 28.665 28.738 0.014 0.000 0.898 271 Q HN 0.881 nan 8.270 nan 0.000 0.426 272 E N -0.206 119.995 120.200 0.002 0.000 2.031 272 E HA -0.203 4.148 4.350 0.002 0.000 0.193 272 E C 1.990 178.576 176.600 -0.024 0.000 0.994 272 E CA 1.679 58.076 56.400 -0.005 0.000 0.800 272 E CB -0.108 29.598 29.700 0.011 0.000 0.752 272 E HN 0.442 nan 8.360 nan 0.000 0.447 273 S N 0.852 116.553 115.700 0.001 0.000 2.383 273 S HA -0.167 4.304 4.470 0.002 0.000 0.227 273 S C 2.189 176.690 174.600 -0.165 0.000 1.026 273 S CA 0.977 59.176 58.200 -0.002 0.000 0.981 273 S CB -0.563 62.704 63.200 0.111 0.000 0.818 273 S HN 0.437 nan 8.310 nan 0.000 0.472 274 L N 1.505 122.635 121.223 -0.155 0.000 2.017 274 L HA -0.097 4.244 4.340 0.002 0.000 0.208 274 L C 2.491 179.124 176.870 -0.394 0.000 1.073 274 L CA 1.988 56.606 54.840 -0.370 0.000 0.745 274 L CB -1.015 40.993 42.059 -0.085 0.000 0.894 274 L HN 0.312 nan 8.230 nan 0.000 0.432 275 T N 0.098 114.505 114.554 -0.245 0.000 2.788 275 T HA -0.130 4.221 4.350 0.002 0.000 0.268 275 T C 1.897 176.381 174.700 -0.360 0.000 1.044 275 T CA 1.182 63.104 62.100 -0.296 0.000 1.139 275 T CB -0.378 68.392 68.868 -0.164 0.000 0.867 275 T HN 0.569 nan 8.240 nan 0.000 0.454 276 A N 1.559 124.260 122.820 -0.199 0.000 1.877 276 A HA 0.155 4.477 4.320 0.002 0.000 0.216 276 A C 2.671 180.166 177.584 -0.149 0.000 1.186 276 A CA 1.816 53.798 52.037 -0.091 0.000 0.620 276 A CB -1.163 17.815 19.000 -0.038 0.000 0.822 276 A HN 0.502 nan 8.150 nan 0.000 0.443 277 A N -0.646 121.996 122.820 -0.298 0.000 1.902 277 A HA -0.162 4.159 4.320 0.002 0.000 0.217 277 A C 2.274 179.710 177.584 -0.248 0.000 1.181 277 A CA 1.941 53.794 52.037 -0.306 0.000 0.623 277 A CB -0.577 17.985 19.000 -0.730 0.000 0.818 277 A HN 0.637 nan 8.150 nan 0.000 0.443 278 M N -1.190 118.204 119.600 -0.342 0.000 2.106 278 M HA -0.232 4.250 4.480 0.002 0.000 0.259 278 M C 2.077 178.269 176.300 -0.180 0.000 1.068 278 M CA 2.021 57.149 55.300 -0.287 0.000 1.100 278 M CB -0.377 31.989 32.600 -0.389 0.000 1.351 278 M HN 0.560 nan 8.290 nan 0.000 0.404 279 H N 0.037 119.055 119.070 -0.088 0.000 2.333 279 H HA -0.080 4.477 4.556 0.002 0.000 0.302 279 H C 2.054 177.353 175.328 -0.048 0.000 1.075 279 H CA 1.767 57.780 56.048 -0.059 0.000 1.348 279 H CB -0.700 29.033 29.762 -0.049 0.000 1.393 279 H HN 0.590 nan 8.280 nan 0.000 0.509 280 Q N 0.245 120.089 119.800 0.073 0.000 2.084 280 Q HA -0.076 4.265 4.340 0.002 0.000 0.202 280 Q C 2.566 178.575 176.000 0.014 0.000 0.978 280 Q CA 0.970 56.794 55.803 0.035 0.000 0.844 280 Q CB -0.035 28.716 28.738 0.021 0.000 0.898 280 Q HN 0.354 nan 8.270 nan 0.000 0.426 281 L N 0.048 121.266 121.223 -0.007 0.000 2.141 281 L HA -0.158 4.184 4.340 0.002 0.000 0.209 281 L C 2.377 179.238 176.870 -0.014 0.000 1.094 281 L CA 0.749 55.579 54.840 -0.016 0.000 0.763 281 L CB -0.270 41.767 42.059 -0.037 0.000 0.908 281 L HN 0.151 nan 8.230 nan 0.000 0.437 282 S N -0.434 115.262 115.700 -0.006 0.000 2.368 282 S HA -0.159 4.312 4.470 0.002 0.000 0.224 282 S C 1.499 176.105 174.600 0.011 0.000 1.029 282 S CA 1.142 59.343 58.200 0.002 0.000 0.988 282 S CB -0.209 63.007 63.200 0.025 0.000 0.838 282 S HN 0.435 nan 8.310 nan 0.000 0.462 283 D N 1.270 121.682 120.400 0.019 0.000 2.117 283 D HA -0.095 4.546 4.640 0.002 0.000 0.197 283 D C 1.895 178.200 176.300 0.010 0.000 0.987 283 D CA 0.930 54.938 54.000 0.014 0.000 0.829 283 D CB -0.231 40.577 40.800 0.014 0.000 0.961 283 D HN 0.371 nan 8.370 nan 0.000 0.460 284 K N 0.930 121.334 120.400 0.008 0.000 2.026 284 K HA -0.115 4.207 4.320 0.002 0.000 0.208 284 K C 2.005 178.609 176.600 0.005 0.000 1.048 284 K CA 0.965 57.256 56.287 0.006 0.000 0.929 284 K CB -0.059 32.443 32.500 0.004 0.000 0.713 284 K HN -0.073 nan 8.250 nan 0.000 0.439 285 V N 1.422 121.336 119.914 0.001 0.000 2.515 285 V HA -0.189 3.932 4.120 0.002 0.000 0.250 285 V C 2.338 178.438 176.094 0.010 0.000 1.058 285 V CA 1.795 64.096 62.300 0.002 0.000 1.064 285 V CB -0.576 31.240 31.823 -0.012 0.000 0.675 285 V HN 0.490 nan 8.190 nan 0.000 0.461 286 A N -1.094 121.732 122.820 0.010 0.000 2.178 286 A HA -0.174 4.147 4.320 0.002 0.000 0.218 286 A C 2.087 179.681 177.584 0.017 0.000 1.157 286 A CA 1.044 53.090 52.037 0.014 0.000 0.689 286 A CB -0.274 18.733 19.000 0.012 0.000 0.787 286 A HN 0.543 nan 8.150 nan 0.000 0.465 287 Q N -0.022 119.787 119.800 0.015 0.000 2.424 287 Q HA 0.107 4.449 4.340 0.002 0.000 0.204 287 Q C 0.001 176.013 176.000 0.021 0.000 0.933 287 Q CA 0.321 56.133 55.803 0.016 0.000 0.929 287 Q CB 0.192 28.938 28.738 0.013 0.000 1.037 287 Q HN 0.542 nan 8.270 nan 0.000 0.511 288 S N 1.101 116.815 115.700 0.024 0.000 2.525 288 S HA 0.330 4.802 4.470 0.002 0.000 0.290 288 S C 0.127 174.756 174.600 0.047 0.000 1.152 288 S CA -0.644 57.574 58.200 0.031 0.000 1.072 288 S CB 1.695 64.911 63.200 0.027 0.000 1.027 288 S HN 0.271 nan 8.310 nan 0.000 0.500 289 S N 1.753 117.486 115.700 0.055 0.000 2.632 289 S HA 0.266 4.737 4.470 0.002 0.000 0.267 289 S C 0.786 175.458 174.600 0.120 0.000 1.276 289 S CA -0.497 57.755 58.200 0.087 0.000 0.998 289 S CB 0.088 63.334 63.200 0.078 0.000 0.953 289 S HN 0.715 nan 8.310 nan 0.000 0.547 290 Y N 1.573 121.904 120.300 0.053 0.000 2.165 290 Y HA -0.151 4.401 4.550 0.002 0.000 0.286 290 Y C 2.118 178.079 175.900 0.101 0.000 1.155 290 Y CA 2.435 60.590 58.100 0.090 0.000 1.164 290 Y CB -0.527 37.976 38.460 0.072 0.000 0.978 290 Y HN 0.799 nan 8.280 nan 0.000 0.513 291 E N 0.277 120.572 120.200 0.158 0.000 2.077 291 E HA -0.192 4.159 4.350 0.002 0.000 0.193 291 E C 1.848 178.445 176.600 -0.006 0.000 0.989 291 E CA 1.575 58.016 56.400 0.069 0.000 0.800 291 E CB -0.449 29.307 29.700 0.092 0.000 0.746 291 E HN 0.487 nan 8.360 nan 0.000 0.452 292 D N 0.079 120.488 120.400 0.015 0.000 2.092 292 D HA -0.143 4.499 4.640 0.002 0.000 0.193 292 D C 2.013 178.307 176.300 -0.009 0.000 0.994 292 D CA 0.913 54.917 54.000 0.007 0.000 0.828 292 D CB -0.269 40.544 40.800 0.022 0.000 0.963 292 D HN 0.148 nan 8.370 nan 0.000 0.450 293 L N -0.013 121.203 121.223 -0.011 0.000 2.017 293 L HA -0.154 4.187 4.340 0.002 0.000 0.208 293 L C 2.453 179.309 176.870 -0.024 0.000 1.073 293 L CA 0.513 55.371 54.840 0.029 0.000 0.745 293 L CB -0.421 41.682 42.059 0.073 0.000 0.894 293 L HN 0.091 nan 8.230 nan 0.000 0.432 294 L N 0.307 121.402 121.223 -0.214 0.000 2.017 294 L HA -0.176 4.165 4.340 0.002 0.000 0.208 294 L C 2.292 179.027 176.870 -0.224 0.000 1.073 294 L CA 1.799 56.357 54.840 -0.470 0.000 0.745 294 L CB -0.838 40.922 42.059 -0.499 0.000 0.894 294 L HN 0.230 nan 8.230 nan 0.000 0.432 295 N N 0.329 118.961 118.700 -0.112 0.000 2.166 295 N HA -0.147 4.595 4.740 0.002 0.000 0.186 295 N C 1.818 177.309 175.510 -0.031 0.000 1.019 295 N CA 1.550 54.568 53.050 -0.054 0.000 0.856 295 N CB -0.516 37.955 38.487 -0.026 0.000 0.993 295 N HN 0.545 nan 8.380 nan 0.000 0.426 296 A N 0.620 123.430 122.820 -0.015 0.000 1.969 296 A HA -0.179 4.142 4.320 0.002 0.000 0.218 296 A C 2.084 179.681 177.584 0.022 0.000 1.169 296 A CA 1.236 53.276 52.037 0.004 0.000 0.635 296 A CB -0.741 18.271 19.000 0.020 0.000 0.810 296 A HN 0.463 nan 8.150 nan 0.000 0.445 297 H N 0.468 119.487 119.070 -0.084 0.000 2.284 297 H HA -0.124 4.434 4.556 0.002 0.000 0.304 297 H C 2.380 177.714 175.328 0.011 0.000 1.069 297 H CA 2.364 58.379 56.048 -0.055 0.000 1.327 297 H CB -0.170 29.467 29.762 -0.208 0.000 1.387 297 H HN 0.561 nan 8.280 nan 0.000 0.498 298 T N -0.982 113.537 114.554 -0.059 0.000 2.833 298 T HA -0.050 4.301 4.350 0.002 0.000 0.269 298 T C 2.220 176.894 174.700 -0.043 0.000 1.054 298 T CA 1.247 63.313 62.100 -0.057 0.000 1.135 298 T CB -0.672 68.174 68.868 -0.037 0.000 0.869 298 T HN 0.408 nan 8.240 nan 0.000 0.466 299 A N 1.558 124.352 122.820 -0.045 0.000 1.933 299 A HA 0.105 4.427 4.320 0.002 0.000 0.218 299 A C 2.413 179.957 177.584 -0.066 0.000 1.175 299 A CA 1.428 53.443 52.037 -0.036 0.000 0.628 299 A CB -0.791 18.192 19.000 -0.029 0.000 0.814 299 A HN 0.621 nan 8.150 nan 0.000 0.444 300 I N -2.903 117.591 120.570 -0.127 0.000 2.286 300 I HA -0.250 3.921 4.170 0.002 0.000 0.245 300 I C 2.434 178.374 176.117 -0.295 0.000 1.104 300 I CA 1.079 62.244 61.300 -0.225 0.000 1.397 300 I CB -0.339 37.482 38.000 -0.299 0.000 1.072 300 I HN 0.525 nan 8.210 nan 0.000 0.417 301 W N 0.933 122.056 121.300 -0.296 0.000 2.363 301 W HA -0.161 4.500 4.660 0.002 0.000 0.296 301 W C 2.766 179.178 176.519 -0.178 0.000 1.212 301 W CA 1.265 58.432 57.345 -0.297 0.000 1.260 301 W CB -0.183 29.135 29.460 -0.236 0.000 1.131 301 W HN 0.074 nan 8.180 nan 0.000 0.530 302 A N -0.086 122.788 122.820 0.090 0.000 1.908 302 A HA -0.290 4.031 4.320 0.002 0.000 0.218 302 A C 1.799 179.462 177.584 0.130 0.000 1.181 302 A CA 1.916 54.005 52.037 0.087 0.000 0.627 302 A CB -0.847 18.174 19.000 0.035 0.000 0.818 302 A HN 0.435 nan 8.150 nan 0.000 0.445 303 Q N -0.737 119.077 119.800 0.023 0.000 2.084 303 Q HA -0.174 4.167 4.340 0.002 0.000 0.202 303 Q C 2.376 178.370 176.000 -0.009 0.000 0.978 303 Q CA 1.612 57.417 55.803 0.005 0.000 0.844 303 Q CB -0.194 28.510 28.738 -0.057 0.000 0.898 303 Q HN 0.633 nan 8.270 nan 0.000 0.426 304 R N -0.393 120.018 120.500 -0.150 0.000 2.081 304 R HA -0.160 4.181 4.340 0.002 0.000 0.235 304 R C 1.925 178.205 176.300 -0.034 0.000 1.131 304 R CA 1.645 57.582 56.100 -0.272 0.000 0.960 304 R CB -0.278 29.607 30.300 -0.692 0.000 0.856 304 R HN 0.391 nan 8.270 nan 0.000 0.436 305 W N 0.863 122.305 121.300 0.236 0.000 2.388 305 W HA -0.153 4.508 4.660 0.002 0.000 0.294 305 W C 2.300 178.994 176.519 0.291 0.000 1.212 305 W CA 0.536 58.091 57.345 0.351 0.000 1.271 305 W CB -0.120 29.579 29.460 0.398 0.000 1.126 305 W HN 0.161 nan 8.180 nan 0.000 0.535 306 E N 1.250 121.702 120.200 0.420 0.000 2.085 306 E HA -0.267 4.084 4.350 0.002 0.000 0.194 306 E C 1.961 178.716 176.600 0.257 0.000 0.994 306 E CA 1.754 58.332 56.400 0.296 0.000 0.801 306 E CB -0.186 29.630 29.700 0.194 0.000 0.743 306 E HN 0.159 nan 8.360 nan 0.000 0.453 307 K N -0.915 119.617 120.400 0.220 0.000 2.305 307 K HA 0.029 4.350 4.320 0.002 0.000 0.199 307 K C 0.703 177.459 176.600 0.260 0.000 1.047 307 K CA 1.194 57.597 56.287 0.193 0.000 0.976 307 K CB 0.266 32.836 32.500 0.116 0.000 0.765 307 K HN 0.201 nan 8.250 nan 0.000 0.474 308 S N -0.692 115.212 115.700 0.340 0.000 2.993 308 S HA 0.076 4.547 4.470 0.002 0.000 0.257 308 S C -0.452 174.483 174.600 0.557 0.000 0.997 308 S CA -0.769 57.687 58.200 0.427 0.000 1.191 308 S CB 0.084 63.511 63.200 0.380 0.000 1.143 308 S HN 0.182 nan 8.310 nan 0.000 0.655 309 D N 1.826 122.594 120.400 0.613 0.000 2.423 309 D HA 0.291 4.932 4.640 0.002 0.000 0.238 309 D C -0.535 176.033 176.300 0.446 0.000 1.142 309 D CA 0.278 54.663 54.000 0.641 0.000 0.884 309 D CB 1.097 42.268 40.800 0.618 0.000 1.199 309 D HN 0.101 nan 8.370 nan 0.000 0.438 310 V N 4.083 124.200 119.914 0.338 0.000 2.304 310 V HA 0.202 4.324 4.120 0.002 0.000 0.278 310 V C -0.197 175.952 176.094 0.092 0.000 1.018 310 V CA -0.880 61.581 62.300 0.269 0.000 0.814 310 V CB 1.483 33.462 31.823 0.260 0.000 1.021 310 V HN 0.376 nan 8.190 nan 0.000 0.440 311 V N 7.025 126.989 119.914 0.084 0.000 2.408 311 V HA 0.412 4.534 4.120 0.002 0.000 0.267 311 V C 0.065 176.110 176.094 -0.082 0.000 1.047 311 V CA -0.036 62.244 62.300 -0.033 0.000 0.937 311 V CB 1.076 32.901 31.823 0.003 0.000 0.999 311 V HN 0.644 nan 8.190 nan 0.000 0.472 312 I N 6.181 126.618 120.570 -0.222 0.000 2.389 312 I HA 0.480 4.651 4.170 0.002 0.000 0.288 312 I C -0.163 175.733 176.117 -0.369 0.000 0.999 312 I CA -0.702 60.359 61.300 -0.400 0.000 1.129 312 I CB 1.626 39.192 38.000 -0.722 0.000 1.288 312 I HN 0.372 nan 8.210 nan 0.000 0.444 313 K N 4.214 124.432 120.400 -0.304 0.000 2.244 313 K HA 0.599 4.920 4.320 0.002 0.000 0.260 313 K C 0.568 177.047 176.600 -0.202 0.000 0.951 313 K CA -0.414 55.748 56.287 -0.209 0.000 0.826 313 K CB 1.781 34.209 32.500 -0.118 0.000 1.108 313 K HN 0.906 nan 8.250 nan 0.000 0.433 314 G N 1.899 110.603 108.800 -0.160 0.000 2.179 314 G HA2 -0.193 3.768 3.960 0.002 0.000 0.220 314 G HA3 -0.193 3.768 3.960 0.002 0.000 0.220 314 G C -0.310 174.531 174.900 -0.098 0.000 0.990 314 G CA 0.180 45.230 45.100 -0.084 0.000 0.646 314 G HN 0.556 nan 8.290 nan 0.000 0.517 315 D N -0.016 120.242 120.400 -0.238 0.000 2.584 315 D HA 0.327 4.968 4.640 0.002 0.000 0.238 315 D C 0.581 176.764 176.300 -0.195 0.000 1.302 315 D CA -0.361 53.535 54.000 -0.172 0.000 0.884 315 D CB 0.296 40.984 40.800 -0.187 0.000 1.456 315 D HN -0.089 nan 8.370 nan 0.000 0.528 316 D N 1.240 121.568 120.400 -0.119 0.000 2.178 316 D HA -0.122 4.519 4.640 0.002 0.000 0.201 316 D C 1.492 177.747 176.300 -0.075 0.000 0.980 316 D CA 0.858 54.788 54.000 -0.117 0.000 0.842 316 D CB 0.452 41.202 40.800 -0.084 0.000 0.948 316 D HN 0.609 nan 8.370 nan 0.000 0.472 317 E N 0.125 120.316 120.200 -0.015 0.000 2.118 317 E HA -0.107 4.244 4.350 0.002 0.000 0.195 317 E C 2.032 178.667 176.600 0.059 0.000 0.992 317 E CA 0.929 57.345 56.400 0.027 0.000 0.804 317 E CB 0.071 29.814 29.700 0.073 0.000 0.741 317 E HN 0.078 nan 8.360 nan 0.000 0.458 318 S N 0.333 116.089 115.700 0.093 0.000 2.414 318 S HA -0.098 4.374 4.470 0.002 0.000 0.227 318 S C 1.832 176.457 174.600 0.041 0.000 1.022 318 S CA 0.460 58.791 58.200 0.218 0.000 0.958 318 S CB 0.015 63.419 63.200 0.340 0.000 0.797 318 S HN 0.181 nan 8.310 nan 0.000 0.493 319 Q N 1.476 121.189 119.800 -0.145 0.000 2.050 319 Q HA -0.137 4.205 4.340 0.002 0.000 0.202 319 Q C 2.289 178.183 176.000 -0.177 0.000 0.980 319 Q CA 1.434 57.105 55.803 -0.220 0.000 0.840 319 Q CB -0.506 28.056 28.738 -0.295 0.000 0.898 319 Q HN 0.667 nan 8.270 nan 0.000 0.424 320 Q N -0.776 118.939 119.800 -0.141 0.000 2.124 320 Q HA -0.142 4.200 4.340 0.002 0.000 0.202 320 Q C 1.843 177.831 176.000 -0.020 0.000 0.977 320 Q CA 1.635 57.367 55.803 -0.118 0.000 0.850 320 Q CB -0.320 28.356 28.738 -0.104 0.000 0.901 320 Q HN 0.419 nan 8.270 nan 0.000 0.429 321 G N 1.246 110.058 108.800 0.021 0.000 2.453 321 G HA2 -0.298 3.663 3.960 0.002 0.000 0.215 321 G HA3 -0.298 3.663 3.960 0.002 0.000 0.215 321 G C 1.333 176.306 174.900 0.121 0.000 1.201 321 G CA 0.894 46.038 45.100 0.073 0.000 0.784 321 G HN 0.445 nan 8.290 nan 0.000 0.545 322 I N 0.560 121.210 120.570 0.133 0.000 2.286 322 I HA -0.066 4.105 4.170 0.002 0.000 0.248 322 I C 2.760 178.970 176.117 0.156 0.000 1.115 322 I CA 1.230 62.627 61.300 0.162 0.000 1.392 322 I CB -0.197 37.921 38.000 0.197 0.000 1.065 322 I HN 0.056 nan 8.210 nan 0.000 0.418 323 R N -0.936 119.614 120.500 0.084 0.000 2.115 323 R HA -0.141 4.200 4.340 0.002 0.000 0.230 323 R C 2.343 178.834 176.300 0.318 0.000 1.111 323 R CA 1.712 57.883 56.100 0.118 0.000 0.976 323 R CB -0.518 29.605 30.300 -0.295 0.000 0.870 323 R HN 0.423 nan 8.270 nan 0.000 0.445 324 F N 1.962 121.961 119.950 0.082 0.000 2.146 324 F HA -0.221 4.307 4.527 0.002 0.000 0.298 324 F C 1.772 177.672 175.800 0.166 0.000 1.096 324 F CA 1.222 59.298 58.000 0.127 0.000 1.275 324 F CB 0.013 39.027 39.000 0.024 0.000 1.008 324 F HN 0.001 nan 8.300 nan 0.000 0.480 325 N N 1.139 119.881 118.700 0.071 0.000 2.025 325 N HA -0.215 4.527 4.740 0.002 0.000 0.194 325 N C 1.978 177.386 175.510 -0.169 0.000 1.044 325 N CA 1.928 54.925 53.050 -0.089 0.000 0.851 325 N CB -0.944 37.530 38.487 -0.020 0.000 1.036 325 N HN 0.343 nan 8.380 nan 0.000 0.422 326 L N -0.308 120.851 121.223 -0.106 0.000 2.131 326 L HA -0.134 4.208 4.340 0.002 0.000 0.210 326 L C 2.259 178.880 176.870 -0.415 0.000 1.092 326 L CA 0.814 55.390 54.840 -0.441 0.000 0.759 326 L CB -0.431 41.506 42.059 -0.204 0.000 0.903 326 L HN 0.056 nan 8.230 nan 0.000 0.435 327 F N 0.850 120.776 119.950 -0.040 0.000 2.075 327 F HA -0.228 4.300 4.527 0.002 0.000 0.297 327 F C 2.708 178.497 175.800 -0.018 0.000 1.113 327 F CA 1.590 59.630 58.000 0.067 0.000 1.218 327 F CB -0.205 38.913 39.000 0.197 0.000 0.984 327 F HN 0.022 nan 8.300 nan 0.000 0.472 328 Q N 0.411 120.026 119.800 -0.308 0.000 2.172 328 Q HA -0.120 4.221 4.340 0.002 0.000 0.200 328 Q C 2.556 178.411 176.000 -0.243 0.000 0.964 328 Q CA 1.103 56.682 55.803 -0.373 0.000 0.855 328 Q CB -0.712 27.765 28.738 -0.434 0.000 0.918 328 Q HN 0.515 nan 8.270 nan 0.000 0.444 329 L N -0.233 120.836 121.223 -0.257 0.000 1.994 329 L HA -0.177 4.165 4.340 0.002 0.000 0.208 329 L C 2.021 178.931 176.870 0.066 0.000 1.071 329 L CA 1.345 56.088 54.840 -0.160 0.000 0.745 329 L CB -0.215 41.646 42.059 -0.331 0.000 0.892 329 L HN 0.113 nan 8.230 nan 0.000 0.431 330 F N -0.356 119.588 119.950 -0.009 0.000 2.234 330 F HA -0.107 4.421 4.527 0.002 0.000 0.299 330 F C 2.812 178.601 175.800 -0.019 0.000 1.087 330 F CA 0.791 58.794 58.000 0.005 0.000 1.340 330 F CB -1.286 37.596 39.000 -0.197 0.000 1.031 330 F HN 0.038 nan 8.300 nan 0.000 0.500 331 S N -0.644 115.144 115.700 0.147 0.000 2.423 331 S HA -0.133 4.338 4.470 0.002 0.000 0.231 331 S C 2.073 176.787 174.600 0.190 0.000 1.014 331 S CA 1.652 59.933 58.200 0.135 0.000 0.965 331 S CB -0.438 62.687 63.200 -0.125 0.000 0.785 331 S HN 0.393 nan 8.310 nan 0.000 0.495 332 T N -0.574 114.043 114.554 0.105 0.000 2.814 332 T HA 0.085 4.437 4.350 0.002 0.000 0.254 332 T C 0.013 174.810 174.700 0.162 0.000 1.037 332 T CA 0.825 62.918 62.100 -0.010 0.000 1.143 332 T CB -0.082 68.683 68.868 -0.172 0.000 0.866 332 T HN 0.431 nan 8.240 nan 0.000 0.431 333 Y N 0.116 120.480 120.300 0.106 0.000 2.401 333 Y HA 0.444 4.996 4.550 0.002 0.000 0.330 333 Y C -1.372 174.721 175.900 0.321 0.000 1.071 333 Y CA -1.616 56.566 58.100 0.137 0.000 1.049 333 Y CB 1.377 39.830 38.460 -0.012 0.000 1.239 333 Y HN 0.082 nan 8.280 nan 0.000 0.437 334 Y N 4.420 124.464 120.300 -0.426 0.000 2.721 334 Y HA 0.378 4.929 4.550 0.002 0.000 0.251 334 Y C 1.027 176.577 175.900 -0.582 0.000 1.136 334 Y CA -0.354 57.528 58.100 -0.363 0.000 1.142 334 Y CB 0.784 39.028 38.460 -0.361 0.000 1.212 334 Y HN 0.908 nan 8.280 nan 0.000 0.565 335 G N 0.696 108.735 108.800 -1.268 0.000 2.166 335 G HA2 -0.355 3.606 3.960 0.002 0.000 0.260 335 G HA3 -0.355 3.606 3.960 0.002 0.000 0.260 335 G C 1.073 175.692 174.900 -0.468 0.000 0.986 335 G CA 0.822 45.367 45.100 -0.925 0.000 0.683 335 G HN 0.546 nan 8.290 nan 0.000 0.527 336 E N -0.414 119.571 120.200 -0.359 0.000 2.274 336 E HA -0.016 4.335 4.350 0.002 0.000 0.194 336 E C 0.364 176.920 176.600 -0.073 0.000 0.996 336 E CA 0.763 57.069 56.400 -0.156 0.000 0.840 336 E CB 0.243 29.899 29.700 -0.074 0.000 0.772 336 E HN 0.477 nan 8.360 nan 0.000 0.491 337 D N -0.532 119.836 120.400 -0.052 0.000 2.462 337 D HA 0.257 4.898 4.640 0.002 0.000 0.245 337 D C 0.242 176.603 176.300 0.102 0.000 1.122 337 D CA -0.352 53.683 54.000 0.058 0.000 0.864 337 D CB 1.430 42.310 40.800 0.134 0.000 1.098 337 D HN -0.069 nan 8.370 nan 0.000 0.541 338 A N 4.149 127.018 122.820 0.082 0.000 2.178 338 A HA -0.138 4.183 4.320 0.002 0.000 0.218 338 A C 1.851 179.548 177.584 0.188 0.000 1.157 338 A CA 1.032 53.137 52.037 0.112 0.000 0.689 338 A CB -0.088 18.951 19.000 0.066 0.000 0.787 338 A HN 0.583 nan 8.150 nan 0.000 0.465 339 R N -1.089 119.529 120.500 0.197 0.000 2.210 339 R HA 0.283 4.625 4.340 0.002 0.000 0.203 339 R C 0.249 176.754 176.300 0.341 0.000 1.010 339 R CA -0.036 56.206 56.100 0.236 0.000 1.008 339 R CB -0.118 30.296 30.300 0.190 0.000 0.923 339 R HN 0.408 nan 8.270 nan 0.000 0.469 340 L N 0.352 121.762 121.223 0.312 0.000 2.479 340 L HA 0.212 4.553 4.340 0.002 0.000 0.249 340 L C 0.509 177.439 176.870 0.101 0.000 1.178 340 L CA -0.475 54.542 54.840 0.294 0.000 0.811 340 L CB 0.338 42.599 42.059 0.336 0.000 1.187 340 L HN 0.111 nan 8.230 nan 0.000 0.480 341 N N -0.578 118.050 118.700 -0.120 0.000 3.506 341 N HA 0.516 5.258 4.740 0.002 0.000 0.331 341 N C -1.551 173.646 175.510 -0.521 0.000 1.631 341 N CA -0.509 52.197 53.050 -0.573 0.000 0.786 341 N CB 1.732 39.778 38.487 -0.735 0.000 2.023 341 N HN 0.340 nan 8.380 nan 0.000 0.621 342 I N 1.465 121.703 120.570 -0.554 0.000 2.405 342 I HA 0.337 4.508 4.170 0.002 0.000 0.280 342 I C 0.904 176.854 176.117 -0.278 0.000 1.027 342 I CA -0.811 60.248 61.300 -0.402 0.000 1.161 342 I CB 1.266 39.019 38.000 -0.412 0.000 1.300 342 I HN 0.412 nan 8.210 nan 0.000 0.463 343 G N 6.091 114.752 108.800 -0.231 0.000 2.441 343 G HA2 0.184 4.146 3.960 0.002 0.000 0.243 343 G HA3 0.184 4.146 3.960 0.002 0.000 0.243 343 G C -1.809 172.969 174.900 -0.202 0.000 1.281 343 G CA -0.844 44.161 45.100 -0.159 0.000 0.854 343 G HN 0.393 nan 8.290 nan 0.000 0.560 344 P HA -0.108 nan 4.420 nan 0.000 0.216 344 P C 1.222 178.423 177.300 -0.164 0.000 1.154 344 P CA 1.508 64.433 63.100 -0.290 0.000 0.865 344 P CB 0.224 31.609 31.700 -0.524 0.000 0.789 345 K N -1.349 118.979 120.400 -0.120 0.000 2.514 345 K HA 0.284 4.605 4.320 0.002 0.000 0.207 345 K C 1.215 177.717 176.600 -0.164 0.000 1.035 345 K CA 0.233 56.443 56.287 -0.129 0.000 1.113 345 K CB 0.239 32.673 32.500 -0.110 0.000 0.846 345 K HN 0.074 nan 8.250 nan 0.000 0.491 346 G N 2.143 110.805 108.800 -0.230 0.000 2.661 346 G HA2 -0.339 3.622 3.960 0.002 0.000 0.327 346 G HA3 -0.339 3.622 3.960 0.002 0.000 0.327 346 G C 0.243 174.933 174.900 -0.349 0.000 1.320 346 G CA 0.408 45.265 45.100 -0.406 0.000 0.997 346 G HN 0.416 nan 8.290 nan 0.000 0.543 347 F N 2.138 122.077 119.950 -0.018 0.000 2.916 347 F HA 0.419 4.947 4.527 0.002 0.000 0.294 347 F C 1.955 177.830 175.800 0.124 0.000 1.189 347 F CA 0.315 58.334 58.000 0.032 0.000 1.369 347 F CB 0.628 39.777 39.000 0.248 0.000 0.961 347 F HN 0.550 nan 8.300 nan 0.000 0.508 348 T N -3.278 111.337 114.554 0.101 0.000 3.043 348 T HA 0.592 4.944 4.350 0.002 0.000 0.272 348 T C 0.550 175.326 174.700 0.127 0.000 0.990 348 T CA 0.082 62.285 62.100 0.171 0.000 0.897 348 T CB 0.637 69.566 68.868 0.103 0.000 1.111 348 T HN 0.287 nan 8.240 nan 0.000 0.529 349 G N -0.029 108.752 108.800 -0.033 0.000 2.428 349 G HA2 0.460 4.422 3.960 0.002 0.000 0.304 349 G HA3 0.460 4.422 3.960 0.002 0.000 0.304 349 G C -0.629 174.230 174.900 -0.068 0.000 1.303 349 G CA -0.494 44.623 45.100 0.029 0.000 0.825 349 G HN 0.033 nan 8.290 nan 0.000 0.484 350 E N -0.632 119.593 120.200 0.041 0.000 2.330 350 E HA 0.101 4.453 4.350 0.002 0.000 0.200 350 E C 0.851 177.471 176.600 0.034 0.000 0.922 350 E CA -0.250 56.198 56.400 0.080 0.000 0.935 350 E CB 0.502 30.290 29.700 0.146 0.000 0.917 350 E HN 0.370 nan 8.360 nan 0.000 0.491 351 K N 0.462 120.821 120.400 -0.068 0.000 2.504 351 K HA -0.163 4.158 4.320 0.002 0.000 0.278 351 K C -0.737 175.794 176.600 -0.114 0.000 1.025 351 K CA 0.804 56.964 56.287 -0.212 0.000 1.093 351 K CB 0.004 32.265 32.500 -0.399 0.000 0.873 351 K HN 0.240 nan 8.250 nan 0.000 0.483 352 Y N 1.265 121.641 120.300 0.126 0.000 4.745 352 Y HA -0.304 4.248 4.550 0.002 0.000 0.295 352 Y C 1.145 177.327 175.900 0.471 0.000 0.956 352 Y CA 0.341 58.609 58.100 0.280 0.000 1.684 352 Y CB -1.655 36.765 38.460 -0.066 0.000 1.002 352 Y HN 1.005 nan 8.280 nan 0.000 0.430 353 G N -0.295 108.792 108.800 0.478 0.000 2.168 353 G HA2 -0.037 3.925 3.960 0.002 0.000 0.263 353 G HA3 -0.037 3.925 3.960 0.002 0.000 0.263 353 G C 1.240 176.437 174.900 0.495 0.000 0.977 353 G CA 1.109 46.530 45.100 0.536 0.000 0.659 353 G HN 1.923 nan 8.290 nan 0.000 0.533 354 G N -1.174 107.819 108.800 0.321 0.000 2.166 354 G HA2 0.120 4.082 3.960 0.002 0.000 0.260 354 G HA3 0.120 4.082 3.960 0.002 0.000 0.260 354 G C 0.958 175.962 174.900 0.172 0.000 0.986 354 G CA 1.342 46.571 45.100 0.215 0.000 0.683 354 G HN 2.305 nan 8.290 nan 0.000 0.527 355 A N -0.744 122.134 122.820 0.096 0.000 2.267 355 A HA 0.760 5.081 4.320 0.002 0.000 0.271 355 A C 0.833 178.232 177.584 -0.308 0.000 1.131 355 A CA 0.823 52.468 52.037 -0.655 0.000 0.818 355 A CB 0.348 18.963 19.000 -0.642 0.000 1.118 355 A HN 0.728 nan 8.150 nan 0.000 0.501 356 T N 0.753 114.978 114.554 -0.548 0.000 2.780 356 T HA 0.522 4.873 4.350 0.002 0.000 0.294 356 T C -1.092 173.455 174.700 -0.255 0.000 0.949 356 T CA 0.735 62.647 62.100 -0.312 0.000 1.074 356 T CB -0.200 68.470 68.868 -0.329 0.000 0.910 356 T HN 0.369 nan 8.240 nan 0.000 0.501 357 Y N 0.677 120.836 120.300 -0.235 0.000 2.662 357 Y HA 0.350 4.901 4.550 0.002 0.000 0.335 357 Y C 1.029 176.892 175.900 -0.061 0.000 1.066 357 Y CA -1.700 56.330 58.100 -0.116 0.000 1.116 357 Y CB 0.672 39.054 38.460 -0.129 0.000 1.308 357 Y HN 0.746 nan 8.280 nan 0.000 0.502 358 W N 0.089 121.394 121.300 0.008 0.000 2.538 358 W HA -0.068 4.593 4.660 0.002 0.000 0.254 358 W C 0.094 176.610 176.519 -0.005 0.000 1.249 358 W CA 1.174 58.489 57.345 -0.051 0.000 1.253 358 W CB -1.080 28.347 29.460 -0.054 0.000 1.130 358 W HN 0.571 nan 8.180 nan 0.000 0.618 359 D N 1.537 121.642 120.400 -0.492 0.000 2.149 359 D HA -0.204 4.437 4.640 0.002 0.000 0.194 359 D C 2.195 178.368 176.300 -0.212 0.000 1.001 359 D CA 3.182 56.920 54.000 -0.437 0.000 0.849 359 D CB -0.665 39.954 40.800 -0.302 0.000 0.939 359 D HN 0.064 nan 8.370 nan 0.000 0.449 360 T N 1.303 115.754 114.554 -0.172 0.000 2.595 360 T HA -0.158 4.193 4.350 0.002 0.000 0.264 360 T C 1.595 176.291 174.700 -0.006 0.000 1.058 360 T CA 1.646 63.679 62.100 -0.111 0.000 1.166 360 T CB -0.272 68.478 68.868 -0.196 0.000 0.863 360 T HN 0.329 nan 8.240 nan 0.000 0.415 361 E N 1.605 121.706 120.200 -0.164 0.000 2.347 361 E HA 0.106 4.457 4.350 0.002 0.000 0.196 361 E C 2.052 178.469 176.600 -0.305 0.000 1.008 361 E CA 0.867 57.014 56.400 -0.422 0.000 0.852 361 E CB -0.460 28.902 29.700 -0.563 0.000 0.783 361 E HN 0.562 nan 8.360 nan 0.000 0.505 362 A N 0.206 122.814 122.820 -0.354 0.000 1.924 362 A HA 0.214 4.535 4.320 0.002 0.000 0.211 362 A C 1.561 178.735 177.584 -0.684 0.000 1.198 362 A CA 0.425 52.083 52.037 -0.631 0.000 0.657 362 A CB -0.231 18.066 19.000 -1.172 0.000 0.852 362 A HN 0.185 nan 8.150 nan 0.000 0.454 363 F N -1.515 118.423 119.950 -0.020 0.000 2.711 363 F HA 0.380 4.909 4.527 0.002 0.000 0.296 363 F C 2.437 178.297 175.800 0.100 0.000 1.096 363 F CA 0.396 58.423 58.000 0.045 0.000 1.280 363 F CB 0.130 39.039 39.000 -0.151 0.000 1.060 363 F HN 0.195 nan 8.300 nan 0.000 0.608 364 A N 0.277 123.231 122.820 0.225 0.000 1.898 364 A HA -0.053 4.269 4.320 0.002 0.000 0.214 364 A C 1.872 179.636 177.584 0.301 0.000 1.183 364 A CA 1.024 53.210 52.037 0.249 0.000 0.622 364 A CB -1.104 17.975 19.000 0.131 0.000 0.824 364 A HN 0.243 nan 8.150 nan 0.000 0.444 365 F N 0.539 120.513 119.950 0.040 0.000 2.087 365 F HA -0.132 4.396 4.527 0.002 0.000 0.299 365 F C -0.292 175.508 175.800 -0.001 0.000 1.100 365 F CA 2.283 60.290 58.000 0.011 0.000 1.226 365 F CB -1.559 37.420 39.000 -0.036 0.000 0.983 365 F HN 0.187 nan 8.300 nan 0.000 0.479 366 P HA -0.167 nan 4.420 nan 0.000 0.216 366 P C 1.948 179.247 177.300 -0.000 0.000 1.153 366 P CA 1.763 64.948 63.100 0.142 0.000 0.858 366 P CB -0.024 31.862 31.700 0.310 0.000 0.789 367 V N -2.181 117.686 119.914 -0.079 0.000 2.323 367 V HA -0.217 3.904 4.120 0.002 0.000 0.244 367 V C 2.110 177.824 176.094 -0.633 0.000 1.041 367 V CA 1.656 63.621 62.300 -0.559 0.000 1.025 367 V CB -1.518 30.032 31.823 -0.454 0.000 0.656 367 V HN 0.031 nan 8.190 nan 0.000 0.451 368 Y N -0.074 120.029 120.300 -0.328 0.000 2.352 368 Y HA -0.082 4.470 4.550 0.002 0.000 0.292 368 Y C 2.235 177.927 175.900 -0.347 0.000 1.136 368 Y CA 1.121 59.037 58.100 -0.307 0.000 1.227 368 Y CB -0.387 37.903 38.460 -0.283 0.000 0.991 368 Y HN 0.151 nan 8.280 nan 0.000 0.545 369 L N -1.376 119.674 121.223 -0.288 0.000 2.093 369 L HA -0.122 4.220 4.340 0.002 0.000 0.208 369 L C 2.568 179.181 176.870 -0.428 0.000 1.085 369 L CA 1.296 55.858 54.840 -0.463 0.000 0.755 369 L CB -0.806 40.781 42.059 -0.786 0.000 0.904 369 L HN 0.287 nan 8.230 nan 0.000 0.435 370 G N 0.327 108.912 108.800 -0.358 0.000 2.430 370 G HA2 -0.090 3.872 3.960 0.002 0.000 0.216 370 G HA3 -0.090 3.872 3.960 0.002 0.000 0.216 370 G C 1.382 176.292 174.900 0.018 0.000 1.146 370 G CA 0.651 45.736 45.100 -0.026 0.000 0.793 370 G HN 0.523 nan 8.290 nan 0.000 0.537 371 I N -1.118 119.317 120.570 -0.225 0.000 4.240 371 I HA 0.348 4.519 4.170 0.002 0.000 0.331 371 I C 0.275 176.325 176.117 -0.111 0.000 1.381 371 I CA -0.054 61.192 61.300 -0.089 0.000 1.136 371 I CB 0.643 38.564 38.000 -0.131 0.000 1.137 371 I HN 0.034 nan 8.210 nan 0.000 0.411 372 T N -2.681 111.782 114.554 -0.151 0.000 2.901 372 T HA 0.303 4.655 4.350 0.002 0.000 0.293 372 T C -0.494 174.135 174.700 -0.119 0.000 1.084 372 T CA -0.594 61.388 62.100 -0.196 0.000 1.008 372 T CB 2.366 71.058 68.868 -0.293 0.000 1.170 372 T HN 0.103 nan 8.240 nan 0.000 0.509 373 D N 2.092 122.405 120.400 -0.145 0.000 2.525 373 D HA 0.043 4.684 4.640 0.002 0.000 0.235 373 D C -0.945 175.319 176.300 -0.061 0.000 1.137 373 D CA -1.296 52.652 54.000 -0.087 0.000 0.868 373 D CB 1.293 42.026 40.800 -0.110 0.000 1.180 373 D HN 0.327 nan 8.370 nan 0.000 0.465 374 P HA -0.145 nan 4.420 nan 0.000 0.223 374 P C 0.758 178.112 177.300 0.089 0.000 1.144 374 P CA 0.988 64.124 63.100 0.061 0.000 0.783 374 P CB 0.266 32.003 31.700 0.062 0.000 0.771 375 K N -0.391 120.012 120.400 0.005 0.000 2.283 375 K HA -0.016 4.305 4.320 0.002 0.000 0.202 375 K C 2.010 178.552 176.600 -0.097 0.000 1.048 375 K CA 0.636 56.905 56.287 -0.030 0.000 0.948 375 K CB -0.335 32.139 32.500 -0.043 0.000 0.742 375 K HN 0.051 nan 8.250 nan 0.000 0.458 376 V N 1.505 121.342 119.914 -0.128 0.000 2.270 376 V HA -0.255 3.866 4.120 0.002 0.000 0.245 376 V C 2.530 178.476 176.094 -0.246 0.000 1.043 376 V CA 2.426 64.618 62.300 -0.179 0.000 1.014 376 V CB -0.846 30.859 31.823 -0.197 0.000 0.645 376 V HN 0.511 nan 8.190 nan 0.000 0.447 377 T N -1.055 113.321 114.554 -0.297 0.000 2.821 377 T HA -0.256 4.095 4.350 0.002 0.000 0.267 377 T C 1.962 176.373 174.700 -0.481 0.000 1.046 377 T CA 1.480 63.247 62.100 -0.556 0.000 1.139 377 T CB -0.416 68.132 68.868 -0.534 0.000 0.871 377 T HN 0.362 nan 8.240 nan 0.000 0.454 378 R N 1.460 121.700 120.500 -0.433 0.000 2.105 378 R HA -0.105 4.236 4.340 0.002 0.000 0.239 378 R C 2.595 178.612 176.300 -0.472 0.000 1.135 378 R CA 1.517 57.181 56.100 -0.727 0.000 0.967 378 R CB -0.420 29.625 30.300 -0.424 0.000 0.861 378 R HN 0.563 nan 8.270 nan 0.000 0.442 379 N N 0.491 119.033 118.700 -0.263 0.000 2.270 379 N HA -0.121 4.620 4.740 0.002 0.000 0.181 379 N C 1.786 177.244 175.510 -0.085 0.000 1.016 379 N CA 0.685 53.653 53.050 -0.136 0.000 0.870 379 N CB 0.073 38.521 38.487 -0.065 0.000 0.979 379 N HN 0.260 nan 8.380 nan 0.000 0.431 380 L N 0.822 121.958 121.223 -0.146 0.000 2.201 380 L HA -0.087 4.255 4.340 0.002 0.000 0.212 380 L C 2.298 179.192 176.870 0.039 0.000 1.105 380 L CA 0.476 55.270 54.840 -0.077 0.000 0.775 380 L CB -0.174 41.777 42.059 -0.179 0.000 0.913 380 L HN 0.213 nan 8.230 nan 0.000 0.440 381 L N -1.441 119.731 121.223 -0.086 0.000 2.044 381 L HA -0.170 4.171 4.340 0.002 0.000 0.205 381 L C 2.636 179.448 176.870 -0.098 0.000 1.075 381 L CA 0.864 55.575 54.840 -0.216 0.000 0.747 381 L CB -0.377 41.217 42.059 -0.774 0.000 0.903 381 L HN 0.278 nan 8.230 nan 0.000 0.435 382 M N -1.057 118.469 119.600 -0.123 0.000 2.279 382 M HA -0.248 4.233 4.480 0.002 0.000 0.264 382 M C 2.332 178.768 176.300 0.227 0.000 1.062 382 M CA 1.656 57.046 55.300 0.150 0.000 1.099 382 M CB -0.875 31.782 32.600 0.094 0.000 1.394 382 M HN 0.241 nan 8.290 nan 0.000 0.426 383 Y N 1.342 121.661 120.300 0.032 0.000 2.151 383 Y HA -0.286 4.265 4.550 0.002 0.000 0.284 383 Y C 2.399 178.330 175.900 0.051 0.000 1.166 383 Y CA 1.806 59.924 58.100 0.029 0.000 1.163 383 Y CB -0.013 38.431 38.460 -0.027 0.000 0.974 383 Y HN 0.092 nan 8.280 nan 0.000 0.511 384 R N -0.793 119.879 120.500 0.287 0.000 2.073 384 R HA -0.175 4.166 4.340 0.002 0.000 0.229 384 R C 2.133 178.586 176.300 0.254 0.000 1.120 384 R CA 1.550 57.769 56.100 0.198 0.000 0.967 384 R CB -1.539 28.698 30.300 -0.106 0.000 0.862 384 R HN 0.537 nan 8.270 nan 0.000 0.436 385 Y N 2.372 122.772 120.300 0.166 0.000 2.128 385 Y HA -0.223 4.328 4.550 0.002 0.000 0.284 385 Y C 1.755 177.707 175.900 0.087 0.000 1.154 385 Y CA 1.720 59.926 58.100 0.176 0.000 1.149 385 Y CB -0.113 38.482 38.460 0.224 0.000 0.976 385 Y HN -0.086 nan 8.280 nan 0.000 0.505 386 K N -0.050 120.369 120.400 0.032 0.000 2.515 386 K HA -0.120 4.201 4.320 0.002 0.000 0.196 386 K C 1.030 177.517 176.600 -0.188 0.000 1.038 386 K CA 1.092 57.313 56.287 -0.109 0.000 0.967 386 K CB -0.069 32.418 32.500 -0.021 0.000 0.780 386 K HN 0.549 nan 8.250 nan 0.000 0.483 387 Q N 0.076 119.779 119.800 -0.162 0.000 2.175 387 Q HA 0.175 4.516 4.340 0.002 0.000 0.225 387 Q C 1.167 177.001 176.000 -0.278 0.000 0.837 387 Q CA -0.196 55.501 55.803 -0.177 0.000 1.032 387 Q CB 0.521 29.182 28.738 -0.129 0.000 1.137 387 Q HN 0.237 nan 8.270 nan 0.000 0.483 388 L N 0.420 121.410 121.223 -0.389 0.000 2.083 388 L HA -0.230 4.111 4.340 0.002 0.000 0.209 388 L C 1.448 177.688 176.870 -1.050 0.000 1.083 388 L CA 1.153 55.549 54.840 -0.740 0.000 0.752 388 L CB -0.043 41.618 42.059 -0.663 0.000 0.899 388 L HN 0.251 nan 8.230 nan 0.000 0.433 389 D N -0.139 119.919 120.400 -0.569 0.000 2.104 389 D HA -0.176 4.466 4.640 0.002 0.000 0.194 389 D C 2.070 178.214 176.300 -0.259 0.000 0.994 389 D CA 1.579 55.406 54.000 -0.287 0.000 0.830 389 D CB -0.388 40.354 40.800 -0.098 0.000 0.959 389 D HN 0.372 nan 8.370 nan 0.000 0.452 390 G N 0.385 109.021 108.800 -0.272 0.000 2.422 390 G HA2 -0.124 3.837 3.960 0.002 0.000 0.218 390 G HA3 -0.124 3.837 3.960 0.002 0.000 0.218 390 G C 1.677 176.396 174.900 -0.302 0.000 1.140 390 G CA 1.036 46.009 45.100 -0.211 0.000 0.775 390 G HN 0.396 nan 8.290 nan 0.000 0.545 391 A N 0.187 122.682 122.820 -0.541 0.000 1.930 391 A HA 0.063 4.384 4.320 0.002 0.000 0.217 391 A C 2.134 179.486 177.584 -0.386 0.000 1.175 391 A CA 1.179 52.813 52.037 -0.671 0.000 0.627 391 A CB -0.585 17.637 19.000 -1.296 0.000 0.815 391 A HN 0.513 nan 8.150 nan 0.000 0.443 392 Y N -0.396 119.752 120.300 -0.254 0.000 2.181 392 Y HA -0.158 4.393 4.550 0.002 0.000 0.288 392 Y C 2.295 178.132 175.900 -0.105 0.000 1.146 392 Y CA 0.835 58.843 58.100 -0.152 0.000 1.164 392 Y CB -0.303 38.089 38.460 -0.112 0.000 0.982 392 Y HN 0.200 nan 8.280 nan 0.000 0.515 393 I N 0.285 120.881 120.570 0.043 0.000 2.226 393 I HA -0.321 3.850 4.170 0.002 0.000 0.245 393 I C 1.784 177.897 176.117 -0.006 0.000 1.100 393 I CA 1.036 62.348 61.300 0.020 0.000 1.374 393 I CB -0.401 37.601 38.000 0.003 0.000 1.057 393 I HN 0.323 nan 8.210 nan 0.000 0.413 394 N N 1.325 119.989 118.700 -0.061 0.000 2.104 394 N HA -0.163 4.578 4.740 0.002 0.000 0.190 394 N C 1.889 177.391 175.510 -0.012 0.000 1.024 394 N CA 1.710 54.728 53.050 -0.054 0.000 0.853 394 N CB -0.469 37.938 38.487 -0.132 0.000 1.008 394 N HN 0.362 nan 8.380 nan 0.000 0.424 395 A N 1.167 123.981 122.820 -0.010 0.000 1.930 395 A HA -0.148 4.174 4.320 0.002 0.000 0.217 395 A C 2.162 179.784 177.584 0.063 0.000 1.175 395 A CA 1.230 53.316 52.037 0.083 0.000 0.627 395 A CB -0.564 18.523 19.000 0.145 0.000 0.815 395 A HN 0.332 nan 8.150 nan 0.000 0.443 396 Q N -0.727 119.098 119.800 0.042 0.000 2.167 396 Q HA -0.131 4.210 4.340 0.002 0.000 0.202 396 Q C 1.695 177.701 176.000 0.009 0.000 0.970 396 Q CA 1.107 56.925 55.803 0.025 0.000 0.855 396 Q CB -0.069 28.686 28.738 0.029 0.000 0.911 396 Q HN 0.508 nan 8.270 nan 0.000 0.438 397 E N 0.658 120.865 120.200 0.013 0.000 2.268 397 E HA -0.144 4.208 4.350 0.002 0.000 0.195 397 E C 0.860 177.410 176.600 -0.085 0.000 0.995 397 E CA 1.030 57.432 56.400 0.004 0.000 0.836 397 E CB 0.167 29.899 29.700 0.053 0.000 0.763 397 E HN 0.479 nan 8.360 nan 0.000 0.491 398 Q N -1.050 118.695 119.800 -0.091 0.000 2.179 398 Q HA 0.257 4.598 4.340 0.002 0.000 0.213 398 Q C 0.499 176.440 176.000 -0.098 0.000 0.833 398 Q CA 0.254 55.951 55.803 -0.177 0.000 0.990 398 Q CB 1.105 29.755 28.738 -0.147 0.000 1.132 398 Q HN 0.222 nan 8.270 nan 0.000 0.493 399 G N 1.572 110.339 108.800 -0.055 0.000 2.249 399 G HA2 -0.275 3.687 3.960 0.002 0.000 0.273 399 G HA3 -0.275 3.687 3.960 0.002 0.000 0.273 399 G C -0.240 174.643 174.900 -0.028 0.000 1.036 399 G CA 0.284 45.361 45.100 -0.038 0.000 0.824 399 G HN 0.265 nan 8.290 nan 0.000 0.504 400 L N -1.083 120.139 121.223 -0.002 0.000 2.341 400 L HA 0.602 4.944 4.340 0.002 0.000 0.267 400 L C 0.775 177.666 176.870 0.034 0.000 1.009 400 L CA -1.233 53.602 54.840 -0.008 0.000 0.819 400 L CB 1.671 43.725 42.059 -0.008 0.000 1.323 400 L HN 0.036 nan 8.230 nan 0.000 0.425 401 K N 0.459 120.866 120.400 0.011 0.000 2.179 401 K HA 0.695 5.016 4.320 0.002 0.000 0.238 401 K C 0.360 177.026 176.600 0.111 0.000 1.033 401 K CA -0.007 56.303 56.287 0.038 0.000 0.926 401 K CB 0.827 33.339 32.500 0.020 0.000 1.151 401 K HN 0.790 nan 8.250 nan 0.000 0.492 402 G N -0.183 108.677 108.800 0.100 0.000 2.598 402 G HA2 -0.132 3.829 3.960 0.002 0.000 0.244 402 G HA3 -0.132 3.829 3.960 0.002 0.000 0.244 402 G C -0.985 174.048 174.900 0.222 0.000 1.302 402 G CA -0.314 44.885 45.100 0.164 0.000 0.903 402 G HN 0.795 nan 8.290 nan 0.000 0.575 403 A N -0.989 121.908 122.820 0.129 0.000 2.303 403 A HA 0.750 5.071 4.320 0.002 0.000 0.320 403 A C -0.414 176.894 177.584 -0.461 0.000 1.192 403 A CA -0.010 51.936 52.037 -0.152 0.000 0.821 403 A CB 1.569 20.364 19.000 -0.342 0.000 1.188 403 A HN 2.102 nan 8.150 nan 0.000 0.492 404 L N 3.599 124.489 121.223 -0.556 0.000 2.324 404 L HA 0.630 4.972 4.340 0.002 0.000 0.274 404 L C -1.293 175.227 176.870 -0.583 0.000 1.012 404 L CA -0.516 53.877 54.840 -0.746 0.000 0.859 404 L CB -0.232 41.484 42.059 -0.571 0.000 1.224 404 L HN 0.547 nan 8.230 nan 0.000 0.429 405 F N 6.745 126.451 119.950 -0.406 0.000 2.518 405 F HA 0.328 4.856 4.527 0.002 0.000 0.359 405 F C -1.472 174.161 175.800 -0.278 0.000 1.118 405 F CA -0.930 56.897 58.000 -0.288 0.000 1.287 405 F CB 0.052 38.911 39.000 -0.234 0.000 1.132 405 F HN 0.455 nan 8.300 nan 0.000 0.587 406 P HA -0.020 nan 4.420 nan 0.000 0.274 406 P C 0.296 177.484 177.300 -0.187 0.000 1.246 406 P CA -0.311 62.693 63.100 -0.160 0.000 0.795 406 P CB 0.904 32.489 31.700 -0.191 0.000 1.006 407 M N 1.816 121.274 119.600 -0.236 0.000 2.193 407 M HA 0.035 4.517 4.480 0.002 0.000 0.265 407 M C -0.072 175.915 176.300 -0.522 0.000 1.071 407 M CA 1.776 56.901 55.300 -0.292 0.000 1.140 407 M CB -0.103 32.330 32.600 -0.277 0.000 1.369 407 M HN 0.104 nan 8.290 nan 0.000 0.423 408 V N -0.400 119.178 119.914 -0.559 0.000 2.638 408 V HA 0.669 4.791 4.120 0.002 0.000 0.306 408 V C -0.406 175.338 176.094 -0.584 0.000 1.052 408 V CA -0.601 61.206 62.300 -0.822 0.000 0.885 408 V CB 1.506 32.850 31.823 -0.798 0.000 0.999 408 V HN 0.286 nan 8.190 nan 0.000 0.424 409 T N 2.134 116.331 114.554 -0.594 0.000 2.775 409 T HA 0.616 4.968 4.350 0.002 0.000 0.320 409 T C -0.842 173.486 174.700 -0.621 0.000 1.597 409 T CA -0.009 61.817 62.100 -0.457 0.000 1.022 409 T CB 1.431 70.133 68.868 -0.276 0.000 1.485 409 T HN 0.353 nan 8.240 nan 0.000 0.494 410 F N 0.374 120.059 119.950 -0.441 0.000 2.729 410 F HA 0.265 4.793 4.527 0.002 0.000 0.304 410 F C 1.505 177.116 175.800 -0.316 0.000 1.008 410 F CA -0.052 57.617 58.000 -0.552 0.000 1.188 410 F CB 0.826 38.926 39.000 -1.500 0.000 0.980 410 F HN 0.636 nan 8.300 nan 0.000 0.627 411 D N -1.670 118.687 120.400 -0.072 0.000 2.500 411 D HA 0.362 5.003 4.640 0.002 0.000 0.217 411 D C 1.569 177.841 176.300 -0.048 0.000 1.159 411 D CA 0.713 54.724 54.000 0.019 0.000 0.828 411 D CB 0.648 41.560 40.800 0.187 0.000 1.039 411 D HN 0.275 nan 8.370 nan 0.000 0.512 412 G N 0.096 108.842 108.800 -0.091 0.000 2.307 412 G HA2 -0.189 3.773 3.960 0.002 0.000 0.210 412 G HA3 -0.189 3.773 3.960 0.002 0.000 0.210 412 G C -0.069 174.751 174.900 -0.133 0.000 1.005 412 G CA -0.051 44.981 45.100 -0.113 0.000 0.634 412 G HN 0.245 nan 8.290 nan 0.000 0.496 413 I N 1.966 122.474 120.570 -0.102 0.000 2.519 413 I HA 0.423 4.595 4.170 0.002 0.000 0.287 413 I C 0.915 176.903 176.117 -0.214 0.000 1.047 413 I CA -0.912 60.308 61.300 -0.132 0.000 1.381 413 I CB 1.231 39.182 38.000 -0.081 0.000 1.417 413 I HN 0.328 nan 8.210 nan 0.000 0.540 414 E N 3.652 123.722 120.200 -0.217 0.000 2.437 414 E HA -0.015 4.336 4.350 0.002 0.000 0.263 414 E C -0.040 176.341 176.600 -0.365 0.000 1.030 414 E CA 0.394 56.645 56.400 -0.248 0.000 0.934 414 E CB 0.669 30.279 29.700 -0.151 0.000 0.943 414 E HN 0.657 nan 8.360 nan 0.000 0.444 415 C N 2.697 121.747 119.300 -0.416 0.000 3.637 415 C HA 0.204 4.666 4.460 0.002 0.000 0.439 415 C C 0.417 175.076 174.990 -0.553 0.000 1.443 415 C CA -0.359 58.321 59.018 -0.563 0.000 2.037 415 C CB -0.667 26.625 27.740 -0.747 0.000 2.957 415 C HN 0.720 nan 8.230 nan 0.000 0.669 416 H N 3.398 122.189 119.070 -0.465 0.000 2.707 416 H HA 0.116 4.673 4.556 0.002 0.000 0.359 416 H C -0.211 174.963 175.328 -0.255 0.000 1.113 416 H CA 1.128 57.038 56.048 -0.231 0.000 1.422 416 H CB 0.751 30.412 29.762 -0.169 0.000 1.443 416 H HN 0.463 nan 8.280 nan 0.000 0.591 417 N N 3.151 121.393 118.700 -0.763 0.000 2.735 417 N HA 0.112 4.853 4.740 0.002 0.000 0.312 417 N C -1.183 173.826 175.510 -0.835 0.000 1.843 417 N CA -0.393 52.134 53.050 -0.872 0.000 0.945 417 N CB 0.551 38.657 38.487 -0.636 0.000 1.299 417 N HN 0.537 nan 8.380 nan 0.000 0.489 418 E N 0.710 120.607 120.200 -0.503 0.000 2.294 418 E HA 0.091 4.442 4.350 0.002 0.000 0.272 418 E C 0.411 176.929 176.600 -0.136 0.000 0.896 418 E CA -0.900 55.358 56.400 -0.238 0.000 0.802 418 E CB 1.246 30.887 29.700 -0.098 0.000 1.267 418 E HN 0.378 nan 8.360 nan 0.000 0.406 419 W N 3.820 125.131 121.300 0.019 0.000 2.325 419 W HA -0.224 4.437 4.660 0.002 0.000 0.299 419 W C 0.543 177.068 176.519 0.011 0.000 1.215 419 W CA 1.374 58.620 57.345 -0.163 0.000 1.244 419 W CB -0.456 29.027 29.460 0.039 0.000 1.140 419 W HN 0.454 nan 8.180 nan 0.000 0.523 420 E N 0.639 120.532 120.200 -0.512 0.000 2.268 420 E HA -0.147 4.205 4.350 0.002 0.000 0.195 420 E C 2.077 178.649 176.600 -0.047 0.000 0.995 420 E CA 1.436 57.624 56.400 -0.353 0.000 0.836 420 E CB -0.400 28.911 29.700 -0.648 0.000 0.763 420 E HN 0.262 nan 8.360 nan 0.000 0.491 421 I N -0.035 120.495 120.570 -0.067 0.000 3.132 421 I HA 0.002 4.173 4.170 0.002 0.000 0.255 421 I C 1.854 177.949 176.117 -0.036 0.000 1.118 421 I CA 0.841 62.106 61.300 -0.058 0.000 1.463 421 I CB -1.266 36.628 38.000 -0.177 0.000 1.356 421 I HN 0.038 nan 8.210 nan 0.000 0.463 422 T N 2.092 116.638 114.554 -0.013 0.000 2.607 422 T HA -0.189 4.162 4.350 0.002 0.000 0.267 422 T C 1.866 176.640 174.700 0.123 0.000 1.049 422 T CA 1.999 64.075 62.100 -0.041 0.000 1.162 422 T CB -0.518 68.195 68.868 -0.258 0.000 0.863 422 T HN 0.195 nan 8.240 nan 0.000 0.424 423 F N 0.720 120.784 119.950 0.190 0.000 2.387 423 F HA 0.182 4.710 4.527 0.002 0.000 0.294 423 F C 2.579 178.486 175.800 0.178 0.000 1.093 423 F CA 0.217 58.324 58.000 0.178 0.000 1.420 423 F CB 0.049 39.182 39.000 0.223 0.000 1.086 423 F HN 0.162 nan 8.300 nan 0.000 0.531 424 E N 0.165 120.588 120.200 0.371 0.000 2.415 424 E HA -0.059 4.293 4.350 0.002 0.000 0.197 424 E C 0.533 177.250 176.600 0.196 0.000 1.007 424 E CA -0.006 56.572 56.400 0.297 0.000 0.890 424 E CB 0.145 30.051 29.700 0.344 0.000 0.891 424 E HN 0.266 nan 8.360 nan 0.000 0.496 425 E N 2.248 122.505 120.200 0.096 0.000 2.148 425 E HA 0.022 4.373 4.350 0.002 0.000 0.308 425 E C 1.047 177.579 176.600 -0.113 0.000 1.278 425 E CA -0.193 56.216 56.400 0.014 0.000 1.368 425 E CB -0.269 29.381 29.700 -0.083 0.000 1.229 425 E HN 0.343 nan 8.360 nan 0.000 0.494 426 I N 0.205 120.802 120.570 0.045 0.000 3.564 426 I HA -0.059 4.113 4.170 0.002 0.000 0.294 426 I C 1.882 178.037 176.117 0.064 0.000 1.289 426 I CA 0.004 61.316 61.300 0.019 0.000 1.325 426 I CB -0.424 37.715 38.000 0.232 0.000 1.039 426 I HN 0.375 nan 8.210 nan 0.000 0.474 427 H N 3.455 122.588 119.070 0.105 0.000 2.489 427 H HA -0.177 4.381 4.556 0.002 0.000 0.295 427 H C 1.998 177.351 175.328 0.043 0.000 1.082 427 H CA 1.502 57.626 56.048 0.125 0.000 1.295 427 H CB -0.666 29.063 29.762 -0.055 0.000 1.380 427 H HN 0.581 nan 8.280 nan 0.000 0.548 428 R N 1.173 121.253 120.500 -0.700 0.000 2.117 428 R HA -0.166 4.175 4.340 0.002 0.000 0.243 428 R C 1.717 177.954 176.300 -0.104 0.000 1.143 428 R CA 1.665 57.507 56.100 -0.430 0.000 0.968 428 R CB -0.836 29.181 30.300 -0.472 0.000 0.863 428 R HN 0.413 nan 8.270 nan 0.000 0.444 429 N N 0.355 118.989 118.700 -0.110 0.000 2.120 429 N HA -0.114 4.627 4.740 0.002 0.000 0.188 429 N C 1.960 177.584 175.510 0.190 0.000 1.024 429 N CA 1.055 54.056 53.050 -0.082 0.000 0.852 429 N CB -0.203 37.977 38.487 -0.511 0.000 1.003 429 N HN 0.497 nan 8.380 nan 0.000 0.424 430 G N 0.763 109.830 108.800 0.445 0.000 2.408 430 G HA2 -0.211 3.750 3.960 0.002 0.000 0.217 430 G HA3 -0.211 3.750 3.960 0.002 0.000 0.217 430 G C 1.119 176.227 174.900 0.347 0.000 1.150 430 G CA 0.693 46.118 45.100 0.541 0.000 0.776 430 G HN 0.302 nan 8.290 nan 0.000 0.542 431 D N 0.755 121.297 120.400 0.237 0.000 2.144 431 D HA -0.080 4.561 4.640 0.002 0.000 0.200 431 D C 2.530 178.888 176.300 0.097 0.000 0.978 431 D CA 0.421 54.531 54.000 0.183 0.000 0.833 431 D CB 0.061 41.039 40.800 0.297 0.000 0.961 431 D HN 0.189 nan 8.370 nan 0.000 0.470 432 I N 1.679 122.263 120.570 0.023 0.000 2.179 432 I HA -0.212 3.959 4.170 0.002 0.000 0.242 432 I C 2.642 178.744 176.117 -0.025 0.000 1.088 432 I CA 0.708 61.921 61.300 -0.144 0.000 1.357 432 I CB -1.190 36.586 38.000 -0.373 0.000 1.051 432 I HN -0.120 nan 8.210 nan 0.000 0.409 433 A N 0.362 123.288 122.820 0.177 0.000 1.930 433 A HA -0.247 4.074 4.320 0.002 0.000 0.217 433 A C 2.299 180.185 177.584 0.503 0.000 1.175 433 A CA 1.207 53.468 52.037 0.373 0.000 0.627 433 A CB -1.072 18.249 19.000 0.534 0.000 0.815 433 A HN 0.395 nan 8.150 nan 0.000 0.443 434 F N 1.031 121.130 119.950 0.249 0.000 2.216 434 F HA -0.060 4.468 4.527 0.002 0.000 0.300 434 F C 2.422 178.205 175.800 -0.029 0.000 1.085 434 F CA 1.066 59.047 58.000 -0.031 0.000 1.326 434 F CB -0.187 38.587 39.000 -0.377 0.000 1.027 434 F HN 0.251 nan 8.300 nan 0.000 0.497 435 A N 0.832 123.590 122.820 -0.103 0.000 1.940 435 A HA -0.167 4.154 4.320 0.002 0.000 0.219 435 A C 2.180 179.650 177.584 -0.190 0.000 1.176 435 A CA 1.748 53.532 52.037 -0.421 0.000 0.631 435 A CB -0.934 17.510 19.000 -0.926 0.000 0.814 435 A HN 0.417 nan 8.150 nan 0.000 0.446 436 I N -1.523 119.064 120.570 0.029 0.000 2.142 436 I HA -0.233 3.938 4.170 0.002 0.000 0.240 436 I C 2.427 178.722 176.117 0.295 0.000 1.078 436 I CA 1.758 63.209 61.300 0.253 0.000 1.343 436 I CB -1.668 36.578 38.000 0.410 0.000 1.046 436 I HN 0.568 nan 8.210 nan 0.000 0.405 437 Y N 2.563 122.912 120.300 0.082 0.000 2.128 437 Y HA -0.309 4.242 4.550 0.002 0.000 0.284 437 Y C 2.566 178.330 175.900 -0.226 0.000 1.154 437 Y CA 2.175 60.203 58.100 -0.119 0.000 1.149 437 Y CB -0.648 37.559 38.460 -0.421 0.000 0.976 437 Y HN 0.206 nan 8.280 nan 0.000 0.505 438 N N -0.408 117.934 118.700 -0.598 0.000 2.069 438 N HA -0.284 4.458 4.740 0.002 0.000 0.191 438 N C 1.894 177.311 175.510 -0.154 0.000 1.031 438 N CA 1.942 54.669 53.050 -0.537 0.000 0.852 438 N CB -0.945 37.275 38.487 -0.446 0.000 1.018 438 N HN 0.621 nan 8.380 nan 0.000 0.423 439 Y N 0.794 121.062 120.300 -0.053 0.000 2.200 439 Y HA -0.126 4.425 4.550 0.002 0.000 0.290 439 Y C 2.221 178.145 175.900 0.041 0.000 1.137 439 Y CA 2.114 60.254 58.100 0.067 0.000 1.163 439 Y CB -0.775 37.773 38.460 0.147 0.000 0.988 439 Y HN 0.012 nan 8.280 nan 0.000 0.518 440 T N 1.191 115.779 114.554 0.057 0.000 2.708 440 T HA -0.222 4.129 4.350 0.002 0.000 0.266 440 T C 1.934 176.538 174.700 -0.160 0.000 1.037 440 T CA 1.798 63.890 62.100 -0.013 0.000 1.146 440 T CB -0.373 68.608 68.868 0.189 0.000 0.865 440 T HN 0.367 nan 8.240 nan 0.000 0.435 441 R N -0.466 119.873 120.500 -0.268 0.000 2.081 441 R HA -0.133 4.208 4.340 0.002 0.000 0.235 441 R C 2.325 178.546 176.300 -0.132 0.000 1.131 441 R CA 1.409 57.349 56.100 -0.267 0.000 0.960 441 R CB -0.475 29.509 30.300 -0.527 0.000 0.856 441 R HN 0.464 nan 8.270 nan 0.000 0.436 442 Y N 0.988 121.159 120.300 -0.215 0.000 2.200 442 Y HA -0.168 4.383 4.550 0.002 0.000 0.290 442 Y C 2.498 178.289 175.900 -0.182 0.000 1.137 442 Y CA 2.240 60.290 58.100 -0.084 0.000 1.163 442 Y CB -0.114 38.307 38.460 -0.065 0.000 0.988 442 Y HN 0.292 nan 8.280 nan 0.000 0.518 443 T N -4.258 110.171 114.554 -0.208 0.000 3.044 443 T HA 0.244 4.596 4.350 0.002 0.000 0.255 443 T C 1.775 176.288 174.700 -0.312 0.000 1.073 443 T CA 0.684 62.580 62.100 -0.340 0.000 1.125 443 T CB -0.304 68.225 68.868 -0.565 0.000 0.908 443 T HN 0.574 nan 8.240 nan 0.000 0.480 444 G N 1.635 110.290 108.800 -0.242 0.000 2.159 444 G HA2 -0.242 3.720 3.960 0.002 0.000 0.256 444 G HA3 -0.242 3.720 3.960 0.002 0.000 0.256 444 G C -0.180 174.666 174.900 -0.090 0.000 0.977 444 G CA 0.189 45.200 45.100 -0.148 0.000 0.652 444 G HN 0.827 nan 8.290 nan 0.000 0.531 445 D N 1.042 121.379 120.400 -0.105 0.000 2.428 445 D HA 0.477 5.119 4.640 0.002 0.000 0.221 445 D C 0.953 177.344 176.300 0.152 0.000 1.123 445 D CA -0.203 53.816 54.000 0.031 0.000 0.869 445 D CB 0.463 41.315 40.800 0.085 0.000 1.032 445 D HN 0.238 nan 8.370 nan 0.000 0.506 446 D N 1.078 121.557 120.400 0.131 0.000 2.388 446 D HA -0.048 4.593 4.640 0.002 0.000 0.221 446 D C 1.318 177.719 176.300 0.169 0.000 1.133 446 D CA -0.047 54.051 54.000 0.163 0.000 0.831 446 D CB -0.086 40.776 40.800 0.104 0.000 0.962 446 D HN 0.221 nan 8.370 nan 0.000 0.502 447 S N -0.890 114.933 115.700 0.205 0.000 2.423 447 S HA -0.213 4.258 4.470 0.002 0.000 0.231 447 S C 1.858 176.629 174.600 0.286 0.000 1.014 447 S CA 0.260 58.605 58.200 0.243 0.000 0.965 447 S CB -0.734 62.578 63.200 0.186 0.000 0.785 447 S HN 0.390 nan 8.310 nan 0.000 0.495 448 Y N 1.664 122.061 120.300 0.161 0.000 2.176 448 Y HA 0.142 4.693 4.550 0.002 0.000 0.291 448 Y C 2.559 178.505 175.900 0.078 0.000 1.122 448 Y CA 1.329 59.483 58.100 0.091 0.000 1.128 448 Y CB -0.750 37.726 38.460 0.026 0.000 1.005 448 Y HN 0.150 nan 8.280 nan 0.000 0.509 449 V N 0.893 120.863 119.914 0.095 0.000 2.720 449 V HA -0.218 3.903 4.120 0.002 0.000 0.256 449 V C 1.702 177.710 176.094 -0.144 0.000 1.082 449 V CA 1.794 64.089 62.300 -0.009 0.000 1.101 449 V CB -0.577 31.353 31.823 0.178 0.000 0.693 449 V HN 0.497 nan 8.190 nan 0.000 0.479 450 L N -0.884 120.244 121.223 -0.158 0.000 2.591 450 L HA 0.187 4.529 4.340 0.002 0.000 0.228 450 L C 1.643 178.142 176.870 -0.620 0.000 1.133 450 L CA 0.095 54.737 54.840 -0.330 0.000 0.880 450 L CB -0.367 41.501 42.059 -0.318 0.000 1.033 450 L HN 0.456 nan 8.230 nan 0.000 0.450 451 H N -1.215 117.732 119.070 -0.205 0.000 5.260 451 H HA 0.161 4.719 4.556 0.002 0.000 0.088 451 H C 1.233 176.345 175.328 -0.359 0.000 1.309 451 H CA -0.173 55.737 56.048 -0.229 0.000 0.380 451 H CB -0.089 29.552 29.762 -0.201 0.000 1.656 451 H HN -0.138 nan 8.280 nan 0.000 0.116 452 E N 1.097 121.031 120.200 -0.443 0.000 2.097 452 E HA -0.123 4.228 4.350 0.002 0.000 0.196 452 E C 2.101 178.334 176.600 -0.611 0.000 1.000 452 E CA 1.326 57.252 56.400 -0.789 0.000 0.804 452 E CB -0.623 28.340 29.700 -1.229 0.000 0.740 452 E HN 0.635 nan 8.360 nan 0.000 0.454 453 G N 0.400 108.575 108.800 -1.043 0.000 2.450 453 G HA2 -0.240 3.722 3.960 0.002 0.000 0.220 453 G HA3 -0.240 3.722 3.960 0.002 0.000 0.220 453 G C 1.632 176.451 174.900 -0.135 0.000 1.130 453 G CA 0.880 45.673 45.100 -0.510 0.000 0.760 453 G HN 0.396 nan 8.290 nan 0.000 0.557 454 A N 0.673 123.394 122.820 -0.165 0.000 1.930 454 A HA 0.030 4.352 4.320 0.002 0.000 0.217 454 A C 2.200 179.801 177.584 0.027 0.000 1.175 454 A CA 2.247 54.239 52.037 -0.076 0.000 0.627 454 A CB -0.309 18.625 19.000 -0.109 0.000 0.815 454 A HN 0.350 nan 8.150 nan 0.000 0.443 455 K N -0.034 120.408 120.400 0.069 0.000 2.057 455 K HA -0.028 4.294 4.320 0.002 0.000 0.206 455 K C 1.625 178.360 176.600 0.224 0.000 1.050 455 K CA 1.787 58.182 56.287 0.180 0.000 0.935 455 K CB -0.645 32.032 32.500 0.294 0.000 0.715 455 K HN 0.181 nan 8.250 nan 0.000 0.439 456 V N 1.084 121.148 119.914 0.250 0.000 2.358 456 V HA -0.192 3.929 4.120 0.002 0.000 0.246 456 V C 2.294 178.525 176.094 0.228 0.000 1.047 456 V CA 1.638 64.112 62.300 0.290 0.000 1.035 456 V CB -0.406 31.613 31.823 0.327 0.000 0.658 456 V HN 0.261 nan 8.190 nan 0.000 0.452 457 L N -0.495 120.826 121.223 0.163 0.000 2.093 457 L HA -0.144 4.197 4.340 0.002 0.000 0.208 457 L C 2.638 179.562 176.870 0.091 0.000 1.085 457 L CA 1.748 56.661 54.840 0.121 0.000 0.755 457 L CB -0.900 41.189 42.059 0.049 0.000 0.904 457 L HN 0.339 nan 8.230 nan 0.000 0.435 458 T N -0.875 113.759 114.554 0.135 0.000 2.708 458 T HA -0.155 4.197 4.350 0.002 0.000 0.266 458 T C 1.791 176.602 174.700 0.186 0.000 1.037 458 T CA 1.179 63.406 62.100 0.212 0.000 1.146 458 T CB -0.087 68.924 68.868 0.238 0.000 0.865 458 T HN 0.258 nan 8.240 nan 0.000 0.435 459 E N 0.724 121.039 120.200 0.191 0.000 2.150 459 E HA 0.031 4.382 4.350 0.002 0.000 0.193 459 E C 2.227 178.899 176.600 0.121 0.000 0.985 459 E CA 0.590 57.108 56.400 0.196 0.000 0.814 459 E CB -0.299 29.577 29.700 0.294 0.000 0.752 459 E HN 0.527 nan 8.360 nan 0.000 0.466 460 I N 0.715 121.343 120.570 0.096 0.000 2.286 460 I HA -0.208 3.963 4.170 0.002 0.000 0.245 460 I C 2.248 178.324 176.117 -0.069 0.000 1.104 460 I CA 0.710 62.009 61.300 -0.001 0.000 1.397 460 I CB -0.156 37.889 38.000 0.076 0.000 1.072 460 I HN -0.044 nan 8.210 nan 0.000 0.417 461 S N 0.361 116.003 115.700 -0.096 0.000 2.382 461 S HA -0.207 4.265 4.470 0.002 0.000 0.228 461 S C 2.060 176.414 174.600 -0.409 0.000 1.027 461 S CA 1.290 59.265 58.200 -0.376 0.000 0.991 461 S CB -0.272 62.311 63.200 -1.028 0.000 0.823 461 S HN 0.283 nan 8.310 nan 0.000 0.469 462 R N 0.317 120.743 120.500 -0.124 0.000 2.096 462 R HA -0.004 4.338 4.340 0.002 0.000 0.235 462 R C 1.895 178.234 176.300 0.064 0.000 1.127 462 R CA 1.210 57.373 56.100 0.106 0.000 0.968 462 R CB -0.511 29.913 30.300 0.206 0.000 0.861 462 R HN 0.476 nan 8.270 nan 0.000 0.440 463 F N -0.831 119.050 119.950 -0.114 0.000 2.075 463 F HA -0.185 4.343 4.527 0.002 0.000 0.297 463 F C 1.524 177.272 175.800 -0.088 0.000 1.113 463 F CA 1.614 59.517 58.000 -0.162 0.000 1.218 463 F CB -0.511 38.283 39.000 -0.343 0.000 0.984 463 F HN 0.049 nan 8.300 nan 0.000 0.472 464 W N 0.457 121.760 121.300 0.006 0.000 2.318 464 W HA -0.244 4.417 4.660 0.002 0.000 0.313 464 W C 2.650 179.041 176.519 -0.212 0.000 1.221 464 W CA 1.094 58.369 57.345 -0.117 0.000 1.266 464 W CB -0.858 28.546 29.460 -0.093 0.000 1.150 464 W HN 0.139 nan 8.180 nan 0.000 0.496 465 A N -0.305 122.528 122.820 0.022 0.000 2.024 465 A HA -0.269 4.052 4.320 0.002 0.000 0.220 465 A C 1.529 179.132 177.584 0.032 0.000 1.164 465 A CA 2.318 54.362 52.037 0.013 0.000 0.643 465 A CB -0.701 18.370 19.000 0.119 0.000 0.806 465 A HN 0.312 nan 8.150 nan 0.000 0.451 466 D N -1.960 118.412 120.400 -0.048 0.000 2.327 466 D HA 0.017 4.658 4.640 0.002 0.000 0.205 466 D C 2.008 178.228 176.300 -0.134 0.000 0.989 466 D CA 0.496 54.452 54.000 -0.075 0.000 0.873 466 D CB 0.096 40.834 40.800 -0.104 0.000 0.955 466 D HN 0.254 nan 8.370 nan 0.000 0.515 467 R N 0.290 120.646 120.500 -0.241 0.000 2.173 467 R HA 0.110 4.452 4.340 0.002 0.000 0.208 467 R C 0.601 176.934 176.300 0.055 0.000 1.035 467 R CA 0.493 56.476 56.100 -0.195 0.000 1.004 467 R CB -0.407 29.629 30.300 -0.440 0.000 0.917 467 R HN 0.096 nan 8.270 nan 0.000 0.462 468 V N 0.466 120.445 119.914 0.108 0.000 3.319 468 V HA 0.289 4.410 4.120 0.002 0.000 0.303 468 V C 0.036 176.271 176.094 0.235 0.000 1.094 468 V CA -0.378 62.022 62.300 0.167 0.000 1.106 468 V CB 0.970 32.881 31.823 0.147 0.000 1.099 468 V HN 0.517 nan 8.190 nan 0.000 0.476 469 H N 1.001 120.173 119.070 0.170 0.000 2.928 469 H HA 0.530 5.087 4.556 0.002 0.000 0.371 469 H C -1.928 173.486 175.328 0.144 0.000 1.186 469 H CA -1.078 55.050 56.048 0.132 0.000 1.134 469 H CB 1.858 31.623 29.762 0.005 0.000 1.824 469 H HN 0.680 nan 8.280 nan 0.000 0.554 470 F N 2.218 122.128 119.950 -0.066 0.000 2.391 470 F HA 0.271 4.800 4.527 0.002 0.000 0.359 470 F C 0.266 175.960 175.800 -0.177 0.000 1.122 470 F CA -0.443 57.346 58.000 -0.351 0.000 1.120 470 F CB 1.387 40.125 39.000 -0.437 0.000 1.142 470 F HN 0.553 nan 8.300 nan 0.000 0.483 471 S N 6.317 121.523 115.700 -0.824 0.000 2.400 471 S HA 0.202 4.673 4.470 0.002 0.000 0.295 471 S C 1.097 175.284 174.600 -0.688 0.000 1.113 471 S CA -0.512 57.373 58.200 -0.524 0.000 1.064 471 S CB 0.279 63.215 63.200 -0.441 0.000 0.990 471 S HN 0.861 nan 8.310 nan 0.000 0.502 472 K N 3.653 123.857 120.400 -0.327 0.000 2.097 472 K HA -0.120 4.202 4.320 0.002 0.000 0.206 472 K C 2.228 178.729 176.600 -0.165 0.000 1.049 472 K CA 1.042 57.231 56.287 -0.164 0.000 0.933 472 K CB -0.082 32.425 32.500 0.011 0.000 0.717 472 K HN 0.583 nan 8.250 nan 0.000 0.442 473 R N 1.061 121.466 120.500 -0.157 0.000 2.105 473 R HA -0.099 4.242 4.340 0.002 0.000 0.239 473 R C 1.139 177.354 176.300 -0.142 0.000 1.135 473 R CA 1.459 57.490 56.100 -0.116 0.000 0.967 473 R CB 0.069 30.313 30.300 -0.093 0.000 0.861 473 R HN 0.239 nan 8.270 nan 0.000 0.442 474 N N -0.016 118.543 118.700 -0.236 0.000 2.220 474 N HA 0.015 4.757 4.740 0.002 0.000 0.195 474 N C -0.485 174.878 175.510 -0.245 0.000 1.123 474 N CA 0.136 53.054 53.050 -0.220 0.000 0.874 474 N CB 0.395 38.717 38.487 -0.275 0.000 0.995 474 N HN 0.235 nan 8.380 nan 0.000 0.498 475 N N 0.926 119.392 118.700 -0.390 0.000 2.735 475 N HA -0.202 4.540 4.740 0.002 0.000 0.248 475 N C -0.968 174.339 175.510 -0.338 0.000 1.083 475 N CA 0.608 53.469 53.050 -0.316 0.000 0.703 475 N CB -0.474 38.017 38.487 0.007 0.000 1.005 475 N HN 0.415 nan 8.380 nan 0.000 0.550 476 Q N -0.762 118.623 119.800 -0.692 0.000 2.456 476 Q HA 0.394 4.735 4.340 0.002 0.000 0.284 476 Q C -1.233 174.468 176.000 -0.498 0.000 1.061 476 Q CA -0.728 54.887 55.803 -0.313 0.000 0.799 476 Q CB 1.415 30.124 28.738 -0.049 0.000 1.445 476 Q HN 0.167 nan 8.270 nan 0.000 0.411 477 Y N 0.871 121.144 120.300 -0.046 0.000 2.309 477 Y HA 0.424 4.975 4.550 0.002 0.000 0.327 477 Y C 0.334 176.142 175.900 -0.153 0.000 1.172 477 Y CA 0.246 58.304 58.100 -0.071 0.000 1.280 477 Y CB 0.837 39.333 38.460 0.060 0.000 1.234 477 Y HN 0.343 nan 8.280 nan 0.000 0.512 478 M N 3.331 122.801 119.600 -0.217 0.000 2.691 478 M HA 0.550 5.031 4.480 0.002 0.000 0.293 478 M C -1.352 174.910 176.300 -0.064 0.000 1.259 478 M CA -0.701 54.504 55.300 -0.159 0.000 0.827 478 M CB 2.747 35.141 32.600 -0.343 0.000 1.753 478 M HN 0.398 nan 8.290 nan 0.000 0.465 479 I N 1.025 121.699 120.570 0.172 0.000 2.521 479 I HA 0.318 4.489 4.170 0.002 0.000 0.277 479 I C -0.677 175.688 176.117 0.412 0.000 1.054 479 I CA -0.341 61.120 61.300 0.268 0.000 1.117 479 I CB 0.827 38.953 38.000 0.211 0.000 1.217 479 I HN 0.625 nan 8.210 nan 0.000 0.469 480 H N 3.632 122.869 119.070 0.277 0.000 2.495 480 H HA 0.333 4.891 4.556 0.002 0.000 0.350 480 H C 0.821 176.255 175.328 0.176 0.000 1.202 480 H CA -0.135 56.040 56.048 0.212 0.000 1.322 480 H CB 1.764 31.632 29.762 0.177 0.000 1.544 480 H HN 0.811 nan 8.280 nan 0.000 0.565 481 G N 1.052 109.981 108.800 0.215 0.000 2.351 481 G HA2 -0.172 3.789 3.960 0.002 0.000 0.297 481 G HA3 -0.172 3.789 3.960 0.002 0.000 0.297 481 G C -0.052 174.993 174.900 0.243 0.000 1.054 481 G CA 0.566 45.787 45.100 0.200 0.000 1.123 481 G HN 0.581 nan 8.290 nan 0.000 0.512 482 V N -3.094 116.952 119.914 0.221 0.000 3.156 482 V HA 1.018 5.139 4.120 0.002 0.000 0.311 482 V C 0.049 176.265 176.094 0.204 0.000 1.208 482 V CA -0.445 61.997 62.300 0.237 0.000 1.063 482 V CB 2.255 34.226 31.823 0.247 0.000 1.098 482 V HN 0.648 nan 8.190 nan 0.000 0.452 483 T N 1.214 115.888 114.554 0.201 0.000 2.937 483 T HA 0.725 5.077 4.350 0.002 0.000 0.297 483 T C 0.168 174.975 174.700 0.178 0.000 0.991 483 T CA 0.221 62.426 62.100 0.174 0.000 0.990 483 T CB 1.019 69.980 68.868 0.154 0.000 0.991 483 T HN 1.355 nan 8.240 nan 0.000 0.440 484 G N 1.054 109.936 108.800 0.136 0.000 2.535 484 G HA2 0.524 4.485 3.960 0.002 0.000 0.282 484 G HA3 0.524 4.485 3.960 0.002 0.000 0.282 484 G C 1.327 176.146 174.900 -0.136 0.000 1.350 484 G CA -0.135 44.978 45.100 0.023 0.000 1.039 484 G HN 0.803 nan 8.290 nan 0.000 0.509 485 A N -0.744 121.770 122.820 -0.510 0.000 1.986 485 A HA -0.057 4.264 4.320 0.002 0.000 0.220 485 A C 1.435 178.978 177.584 -0.069 0.000 1.171 485 A CA 1.864 53.632 52.037 -0.449 0.000 0.640 485 A CB -0.451 18.344 19.000 -0.342 0.000 0.811 485 A HN 0.561 nan 8.150 nan 0.000 0.451 486 D N 0.290 120.667 120.400 -0.038 0.000 2.416 486 D HA 0.193 4.835 4.640 0.002 0.000 0.240 486 D C 0.514 176.860 176.300 0.076 0.000 1.250 486 D CA -0.051 53.953 54.000 0.007 0.000 0.967 486 D CB 0.046 40.873 40.800 0.046 0.000 1.059 486 D HN 0.454 nan 8.370 nan 0.000 0.512 487 E N 2.182 122.424 120.200 0.069 0.000 2.515 487 E HA -0.136 4.215 4.350 0.002 0.000 0.201 487 E C 0.466 177.320 176.600 0.424 0.000 1.071 487 E CA 0.337 56.870 56.400 0.221 0.000 0.880 487 E CB 0.017 29.860 29.700 0.239 0.000 0.828 487 E HN 0.708 nan 8.360 nan 0.000 0.540 488 Y N 0.652 121.029 120.300 0.127 0.000 2.470 488 Y HA 0.068 4.620 4.550 0.003 0.000 0.284 488 Y C 0.138 176.029 175.900 -0.015 0.000 1.188 488 Y CA -0.547 57.537 58.100 -0.027 0.000 1.269 488 Y CB 0.546 38.995 38.460 -0.019 0.000 1.094 488 Y HN -0.064 nan 8.280 nan 0.000 0.518 489 E N 0.927 121.271 120.200 0.240 0.000 2.260 489 E HA 0.288 4.640 4.350 0.002 0.000 0.266 489 E C -1.465 175.236 176.600 0.168 0.000 0.887 489 E CA -0.492 56.026 56.400 0.198 0.000 0.777 489 E CB 1.544 31.443 29.700 0.332 0.000 1.205 489 E HN 0.335 nan 8.360 nan 0.000 0.414 490 N N 2.082 120.861 118.700 0.131 0.000 2.269 490 N HA 0.243 4.984 4.740 0.002 0.000 0.304 490 N C -0.106 175.500 175.510 0.159 0.000 1.072 490 N CA -0.642 52.502 53.050 0.156 0.000 0.802 490 N CB 1.422 40.017 38.487 0.180 0.000 1.348 490 N HN 0.516 nan 8.380 nan 0.000 0.484 491 N N 0.838 119.669 118.700 0.218 0.000 2.727 491 N HA -0.191 4.550 4.740 0.002 0.000 0.249 491 N C -0.550 175.021 175.510 0.101 0.000 1.048 491 N CA -0.023 53.183 53.050 0.260 0.000 0.714 491 N CB -0.557 38.183 38.487 0.422 0.000 0.959 491 N HN 0.329 nan 8.380 nan 0.000 0.544 492 V N -2.296 117.631 119.914 0.021 0.000 3.369 492 V HA 0.625 4.746 4.120 0.002 0.000 0.309 492 V C 0.309 176.370 176.094 -0.055 0.000 1.069 492 V CA -0.417 61.800 62.300 -0.138 0.000 1.042 492 V CB 1.675 33.236 31.823 -0.436 0.000 1.192 492 V HN 0.057 nan 8.190 nan 0.000 0.447 493 D N 0.697 121.043 120.400 -0.090 0.000 2.375 493 D HA 0.366 5.007 4.640 0.002 0.000 0.247 493 D C -0.375 176.029 176.300 0.173 0.000 1.061 493 D CA -0.161 53.802 54.000 -0.063 0.000 0.834 493 D CB 0.944 41.473 40.800 -0.451 0.000 1.247 493 D HN 0.865 nan 8.370 nan 0.000 0.489 494 N N 1.025 119.892 118.700 0.279 0.000 2.708 494 N HA -0.259 4.482 4.740 0.002 0.000 0.255 494 N C -0.607 175.089 175.510 0.310 0.000 1.046 494 N CA 0.054 53.313 53.050 0.347 0.000 0.715 494 N CB -1.099 37.713 38.487 0.542 0.000 0.895 494 N HN 0.403 nan 8.380 nan 0.000 0.545 495 N N -0.004 118.848 118.700 0.253 0.000 2.438 495 N HA 0.017 4.758 4.740 0.002 0.000 0.267 495 N C 0.798 176.422 175.510 0.190 0.000 1.222 495 N CA -0.220 52.981 53.050 0.251 0.000 0.930 495 N CB 0.342 38.946 38.487 0.196 0.000 1.083 495 N HN 0.444 nan 8.380 nan 0.000 0.476 496 W N 4.201 125.521 121.300 0.033 0.000 2.302 496 W HA -0.277 4.384 4.660 0.002 0.000 0.320 496 W C 1.718 178.179 176.519 -0.097 0.000 1.241 496 W CA 2.089 59.406 57.345 -0.048 0.000 1.264 496 W CB -0.473 28.954 29.460 -0.054 0.000 1.154 496 W HN 0.758 nan 8.180 nan 0.000 0.483 497 D N -1.151 119.290 120.400 0.069 0.000 2.123 497 D HA -0.210 4.431 4.640 0.002 0.000 0.196 497 D C 2.068 178.209 176.300 -0.266 0.000 0.992 497 D CA 2.565 56.461 54.000 -0.174 0.000 0.833 497 D CB -0.367 40.441 40.800 0.015 0.000 0.954 497 D HN 0.130 nan 8.370 nan 0.000 0.455 498 T N -0.348 114.135 114.554 -0.120 0.000 2.737 498 T HA -0.100 4.251 4.350 0.002 0.000 0.265 498 T C 1.621 176.150 174.700 -0.285 0.000 1.038 498 T CA 1.247 63.300 62.100 -0.079 0.000 1.144 498 T CB -0.363 68.561 68.868 0.093 0.000 0.866 498 T HN 0.156 nan 8.240 nan 0.000 0.434 499 N N 1.113 119.645 118.700 -0.280 0.000 2.166 499 N HA -0.002 4.739 4.740 0.002 0.000 0.186 499 N C 1.773 176.983 175.510 -0.501 0.000 1.019 499 N CA 0.725 53.570 53.050 -0.341 0.000 0.856 499 N CB -0.405 37.952 38.487 -0.217 0.000 0.993 499 N HN 0.206 nan 8.380 nan 0.000 0.426 500 M N 0.447 119.631 119.600 -0.693 0.000 2.086 500 M HA -0.054 4.427 4.480 0.002 0.000 0.261 500 M C 1.651 177.656 176.300 -0.491 0.000 1.067 500 M CA 1.346 56.181 55.300 -0.775 0.000 1.116 500 M CB -0.571 31.214 32.600 -1.359 0.000 1.348 500 M HN 0.129 nan 8.290 nan 0.000 0.407 501 L N 0.058 121.041 121.223 -0.399 0.000 2.093 501 L HA -0.155 4.187 4.340 0.002 0.000 0.208 501 L C 2.683 179.385 176.870 -0.280 0.000 1.085 501 L CA 1.093 55.840 54.840 -0.155 0.000 0.755 501 L CB -0.923 41.125 42.059 -0.018 0.000 0.904 501 L HN 0.358 nan 8.230 nan 0.000 0.435 502 A N -0.478 121.847 122.820 -0.826 0.000 1.873 502 A HA -0.274 4.048 4.320 0.002 0.000 0.215 502 A C 2.258 179.398 177.584 -0.740 0.000 1.186 502 A CA 1.740 52.844 52.037 -1.554 0.000 0.616 502 A CB -0.581 17.358 19.000 -1.768 0.000 0.823 502 A HN 0.475 nan 8.150 nan 0.000 0.442 503 Q N -1.772 117.738 119.800 -0.483 0.000 2.061 503 Q HA -0.257 4.084 4.340 0.002 0.000 0.204 503 Q C 1.954 177.824 176.000 -0.216 0.000 0.984 503 Q CA 2.124 57.742 55.803 -0.309 0.000 0.846 503 Q CB -0.331 28.246 28.738 -0.268 0.000 0.902 503 Q HN 0.801 nan 8.270 nan 0.000 0.421 504 W N 1.144 122.251 121.300 -0.322 0.000 2.358 504 W HA -0.147 4.514 4.660 0.002 0.000 0.303 504 W C 1.986 178.467 176.519 -0.064 0.000 1.208 504 W CA 2.139 59.351 57.345 -0.222 0.000 1.274 504 W CB -0.517 28.784 29.460 -0.265 0.000 1.138 504 W HN 0.072 nan 8.180 nan 0.000 0.515 505 T N 1.740 116.281 114.554 -0.022 0.000 2.652 505 T HA -0.262 4.089 4.350 0.002 0.000 0.267 505 T C 1.900 176.460 174.700 -0.234 0.000 1.039 505 T CA 2.168 64.224 62.100 -0.074 0.000 1.153 505 T CB -0.743 68.339 68.868 0.357 0.000 0.863 505 T HN 0.154 nan 8.240 nan 0.000 0.428 506 L N 0.637 121.723 121.223 -0.229 0.000 2.017 506 L HA -0.130 4.211 4.340 0.002 0.000 0.208 506 L C 2.727 179.494 176.870 -0.172 0.000 1.073 506 L CA 1.486 56.176 54.840 -0.249 0.000 0.745 506 L CB -0.518 41.388 42.059 -0.254 0.000 0.894 506 L HN 0.231 nan 8.230 nan 0.000 0.432 507 K N -0.476 119.786 120.400 -0.230 0.000 2.009 507 K HA -0.278 4.043 4.320 0.002 0.000 0.210 507 K C 2.373 178.843 176.600 -0.216 0.000 1.049 507 K CA 1.885 58.051 56.287 -0.202 0.000 0.929 507 K CB -0.340 32.016 32.500 -0.240 0.000 0.714 507 K HN 0.116 nan 8.250 nan 0.000 0.440 508 Y N 1.863 121.793 120.300 -0.617 0.000 2.181 508 Y HA -0.185 4.367 4.550 0.002 0.000 0.288 508 Y C 2.162 177.890 175.900 -0.287 0.000 1.146 508 Y CA 2.021 59.775 58.100 -0.576 0.000 1.164 508 Y CB -0.641 37.153 38.460 -1.110 0.000 0.982 508 Y HN 0.108 nan 8.280 nan 0.000 0.515 509 T N 1.170 115.555 114.554 -0.282 0.000 2.746 509 T HA -0.191 4.160 4.350 0.002 0.000 0.267 509 T C 2.130 176.787 174.700 -0.071 0.000 1.039 509 T CA 1.744 63.729 62.100 -0.192 0.000 1.142 509 T CB -0.579 68.250 68.868 -0.065 0.000 0.866 509 T HN 0.303 nan 8.240 nan 0.000 0.444 510 L N 0.616 121.846 121.223 0.011 0.000 2.079 510 L HA -0.132 4.210 4.340 0.002 0.000 0.210 510 L C 2.739 179.582 176.870 -0.044 0.000 1.081 510 L CA 1.440 56.306 54.840 0.045 0.000 0.752 510 L CB -0.544 41.556 42.059 0.068 0.000 0.896 510 L HN 0.352 nan 8.230 nan 0.000 0.433 511 E N -0.047 120.096 120.200 -0.096 0.000 2.051 511 E HA -0.213 4.138 4.350 0.002 0.000 0.192 511 E C 2.237 178.754 176.600 -0.137 0.000 0.991 511 E CA 1.008 57.353 56.400 -0.092 0.000 0.799 511 E CB 0.057 29.724 29.700 -0.054 0.000 0.748 511 E HN 0.344 nan 8.360 nan 0.000 0.449 512 I N 1.044 121.460 120.570 -0.257 0.000 2.252 512 I HA -0.227 3.944 4.170 0.002 0.000 0.245 512 I C 2.367 178.397 176.117 -0.145 0.000 1.102 512 I CA 1.220 62.370 61.300 -0.249 0.000 1.385 512 I CB -0.995 36.775 38.000 -0.383 0.000 1.064 512 I HN 0.182 nan 8.210 nan 0.000 0.414 513 L N 0.499 121.661 121.223 -0.101 0.000 2.261 513 L HA -0.143 4.198 4.340 0.002 0.000 0.216 513 L C 2.314 179.144 176.870 -0.068 0.000 1.114 513 L CA 1.247 56.048 54.840 -0.065 0.000 0.777 513 L CB -0.885 41.157 42.059 -0.027 0.000 0.910 513 L HN 0.311 nan 8.230 nan 0.000 0.440 514 G N -1.163 107.597 108.800 -0.066 0.000 2.920 514 G HA2 -0.076 3.885 3.960 0.002 0.000 0.208 514 G HA3 -0.076 3.885 3.960 0.002 0.000 0.208 514 G C 1.606 176.473 174.900 -0.054 0.000 1.159 514 G CA 0.023 45.090 45.100 -0.055 0.000 0.784 514 G HN 0.128 nan 8.290 nan 0.000 0.535 515 K N 0.279 120.638 120.400 -0.069 0.000 2.399 515 K HA 0.169 4.490 4.320 0.002 0.000 0.196 515 K C 1.227 177.775 176.600 -0.086 0.000 1.103 515 K CA 0.032 56.279 56.287 -0.066 0.000 0.986 515 K CB 0.437 32.900 32.500 -0.063 0.000 0.952 515 K HN 0.310 nan 8.250 nan 0.000 0.541 516 V N 2.184 122.033 119.914 -0.108 0.000 3.096 516 V HA 0.054 4.176 4.120 0.002 0.000 0.306 516 V C 0.103 176.140 176.094 -0.096 0.000 1.088 516 V CA -1.065 61.150 62.300 -0.140 0.000 1.129 516 V CB 0.099 31.834 31.823 -0.146 0.000 1.014 516 V HN 0.237 nan 8.190 nan 0.000 0.486 517 D N 1.970 122.313 120.400 -0.095 0.000 2.377 517 D HA 0.180 4.821 4.640 0.002 0.000 0.245 517 D C 0.910 177.191 176.300 -0.032 0.000 1.196 517 D CA -0.214 53.760 54.000 -0.044 0.000 0.962 517 D CB 0.571 41.364 40.800 -0.011 0.000 1.127 517 D HN 0.650 nan 8.370 nan 0.000 0.471 518 Q N -0.309 119.479 119.800 -0.018 0.000 2.077 518 Q HA -0.196 4.145 4.340 0.002 0.000 0.206 518 Q C 1.301 177.296 176.000 -0.008 0.000 0.989 518 Q CA 1.812 57.605 55.803 -0.016 0.000 0.853 518 Q CB -0.183 28.548 28.738 -0.011 0.000 0.907 518 Q HN 0.559 nan 8.270 nan 0.000 0.418 519 D N -0.146 120.256 120.400 0.004 0.000 2.123 519 D HA -0.132 4.509 4.640 0.002 0.000 0.196 519 D C 1.915 178.224 176.300 0.016 0.000 0.992 519 D CA 1.723 55.731 54.000 0.014 0.000 0.833 519 D CB -0.229 40.588 40.800 0.028 0.000 0.954 519 D HN 0.269 nan 8.370 nan 0.000 0.455 520 T N 1.029 115.591 114.554 0.013 0.000 2.737 520 T HA -0.075 4.276 4.350 0.002 0.000 0.265 520 T C 2.113 176.807 174.700 -0.010 0.000 1.038 520 T CA 1.421 63.524 62.100 0.006 0.000 1.144 520 T CB -0.294 68.551 68.868 -0.039 0.000 0.866 520 T HN 0.191 nan 8.240 nan 0.000 0.434 521 A N 1.861 124.665 122.820 -0.026 0.000 1.940 521 A HA -0.165 4.156 4.320 0.002 0.000 0.219 521 A C 2.253 179.824 177.584 -0.022 0.000 1.176 521 A CA 1.642 53.660 52.037 -0.031 0.000 0.631 521 A CB -0.463 18.514 19.000 -0.040 0.000 0.814 521 A HN 0.481 nan 8.150 nan 0.000 0.446 522 K N -0.617 119.774 120.400 -0.014 0.000 2.026 522 K HA -0.166 4.155 4.320 0.002 0.000 0.208 522 K C 2.382 178.980 176.600 -0.004 0.000 1.048 522 K CA 1.621 57.901 56.287 -0.012 0.000 0.929 522 K CB -0.241 32.255 32.500 -0.007 0.000 0.713 522 K HN 0.609 nan 8.250 nan 0.000 0.439 523 Q N 0.788 120.593 119.800 0.009 0.000 2.030 523 Q HA -0.141 4.201 4.340 0.002 0.000 0.204 523 Q C 2.277 178.291 176.000 0.024 0.000 0.986 523 Q CA 1.348 57.164 55.803 0.022 0.000 0.843 523 Q CB -0.242 28.520 28.738 0.040 0.000 0.904 523 Q HN 0.302 nan 8.270 nan 0.000 0.420 524 L N 0.609 121.846 121.223 0.023 0.000 2.079 524 L HA -0.189 4.153 4.340 0.002 0.000 0.210 524 L C 0.648 177.526 176.870 0.012 0.000 1.081 524 L CA 0.919 55.778 54.840 0.032 0.000 0.752 524 L CB -0.625 41.450 42.059 0.026 0.000 0.896 524 L HN 0.366 nan 8.230 nan 0.000 0.433 525 D N -0.087 120.306 120.400 -0.012 0.000 2.697 525 D HA -0.164 4.477 4.640 0.002 0.000 0.238 525 D C -0.630 175.635 176.300 -0.057 0.000 1.152 525 D CA 0.196 54.176 54.000 -0.033 0.000 0.666 525 D CB -0.776 40.010 40.800 -0.024 0.000 1.037 525 D HN -0.031 nan 8.370 nan 0.000 0.423 526 V N 1.980 121.843 119.914 -0.085 0.000 2.320 526 V HA 0.305 4.427 4.120 0.002 0.000 0.265 526 V C 1.103 177.073 176.094 -0.207 0.000 1.048 526 V CA -0.125 62.071 62.300 -0.172 0.000 0.865 526 V CB 0.862 32.553 31.823 -0.220 0.000 1.043 526 V HN 0.508 nan 8.190 nan 0.000 0.474 527 S N 2.931 118.512 115.700 -0.198 0.000 2.572 527 S HA 0.041 4.512 4.470 0.002 0.000 0.267 527 S C 0.862 175.331 174.600 -0.218 0.000 1.361 527 S CA -0.275 57.821 58.200 -0.174 0.000 1.009 527 S CB 0.662 63.777 63.200 -0.142 0.000 0.888 527 S HN 0.678 nan 8.310 nan 0.000 0.553 528 D N 0.439 120.742 120.400 -0.163 0.000 2.219 528 D HA -0.102 4.540 4.640 0.002 0.000 0.205 528 D C 1.717 177.913 176.300 -0.174 0.000 0.970 528 D CA 1.254 55.159 54.000 -0.159 0.000 0.851 528 D CB -0.202 40.533 40.800 -0.109 0.000 0.943 528 D HN 0.873 nan 8.370 nan 0.000 0.488 529 E N 1.112 121.214 120.200 -0.162 0.000 2.072 529 E HA -0.170 4.181 4.350 0.002 0.000 0.191 529 E C 1.744 178.213 176.600 -0.218 0.000 0.985 529 E CA 0.782 57.093 56.400 -0.148 0.000 0.801 529 E CB 0.206 29.839 29.700 -0.111 0.000 0.750 529 E HN 0.251 nan 8.360 nan 0.000 0.452 530 E N 0.455 120.460 120.200 -0.326 0.000 2.051 530 E HA -0.193 4.158 4.350 0.002 0.000 0.192 530 E C 2.148 178.237 176.600 -0.850 0.000 0.991 530 E CA 1.193 57.245 56.400 -0.580 0.000 0.799 530 E CB 0.033 29.298 29.700 -0.726 0.000 0.748 530 E HN 0.196 nan 8.360 nan 0.000 0.449 531 K N 0.045 120.034 120.400 -0.685 0.000 2.103 531 K HA -0.115 4.207 4.320 0.002 0.000 0.207 531 K C 2.240 178.710 176.600 -0.217 0.000 1.048 531 K CA 1.613 57.613 56.287 -0.478 0.000 0.930 531 K CB -0.172 32.147 32.500 -0.301 0.000 0.716 531 K HN 0.051 nan 8.250 nan 0.000 0.444 532 T N 1.142 115.587 114.554 -0.182 0.000 2.777 532 T HA -0.137 4.214 4.350 0.002 0.000 0.266 532 T C 1.785 176.457 174.700 -0.047 0.000 1.040 532 T CA 1.436 63.483 62.100 -0.089 0.000 1.141 532 T CB -0.077 68.743 68.868 -0.081 0.000 0.868 532 T HN 0.108 nan 8.240 nan 0.000 0.444 533 K N 0.392 120.751 120.400 -0.069 0.000 2.026 533 K HA -0.088 4.233 4.320 0.002 0.000 0.208 533 K C 1.866 178.538 176.600 0.120 0.000 1.048 533 K CA 1.309 57.609 56.287 0.021 0.000 0.929 533 K CB -0.547 31.974 32.500 0.035 0.000 0.713 533 K HN 0.335 nan 8.250 nan 0.000 0.439 534 W N 1.190 122.435 121.300 -0.092 0.000 2.338 534 W HA -0.095 4.567 4.660 0.002 0.000 0.304 534 W C 2.323 178.766 176.519 -0.127 0.000 1.212 534 W CA 1.110 58.388 57.345 -0.111 0.000 1.264 534 W CB -1.364 28.054 29.460 -0.070 0.000 1.142 534 W HN 0.335 nan 8.180 nan 0.000 0.512 535 Q N 0.703 120.585 119.800 0.138 0.000 2.124 535 Q HA -0.198 4.144 4.340 0.002 0.000 0.202 535 Q C 1.726 177.737 176.000 0.019 0.000 0.977 535 Q CA 2.225 58.059 55.803 0.051 0.000 0.850 535 Q CB -0.692 28.060 28.738 0.025 0.000 0.901 535 Q HN 0.215 nan 8.270 nan 0.000 0.429 536 D N -0.730 119.682 120.400 0.019 0.000 2.144 536 D HA -0.103 4.538 4.640 0.002 0.000 0.200 536 D C 1.659 177.959 176.300 -0.000 0.000 0.978 536 D CA 1.119 55.153 54.000 0.057 0.000 0.833 536 D CB -0.086 40.776 40.800 0.105 0.000 0.961 536 D HN 0.421 nan 8.370 nan 0.000 0.470 537 I N -0.377 120.022 120.570 -0.286 0.000 2.252 537 I HA -0.215 3.957 4.170 0.002 0.000 0.245 537 I C 2.359 178.352 176.117 -0.206 0.000 1.102 537 I CA 0.461 61.401 61.300 -0.601 0.000 1.385 537 I CB -0.149 37.480 38.000 -0.618 0.000 1.064 537 I HN -0.025 nan 8.210 nan 0.000 0.414 538 V N 0.927 120.767 119.914 -0.123 0.000 2.295 538 V HA -0.290 3.831 4.120 0.002 0.000 0.246 538 V C 2.042 178.116 176.094 -0.033 0.000 1.049 538 V CA 2.031 64.278 62.300 -0.088 0.000 1.024 538 V CB -0.651 31.131 31.823 -0.069 0.000 0.648 538 V HN 0.400 nan 8.190 nan 0.000 0.447 539 D N 0.035 120.441 120.400 0.010 0.000 2.144 539 D HA -0.088 4.553 4.640 0.002 0.000 0.200 539 D C 1.928 178.287 176.300 0.097 0.000 0.978 539 D CA 1.146 55.174 54.000 0.046 0.000 0.833 539 D CB -0.150 40.686 40.800 0.060 0.000 0.961 539 D HN 0.406 nan 8.370 nan 0.000 0.470 540 R N -0.382 120.226 120.500 0.181 0.000 2.652 540 R HA 0.243 4.584 4.340 0.002 0.000 0.372 540 R C 0.049 176.530 176.300 0.301 0.000 1.104 540 R CA -0.501 55.761 56.100 0.269 0.000 1.072 540 R CB 0.306 30.842 30.300 0.393 0.000 1.367 540 R HN 0.039 nan 8.270 nan 0.000 0.577 541 M N 1.259 120.960 119.600 0.168 0.000 2.219 541 M HA 0.013 4.494 4.480 0.002 0.000 0.353 541 M C -0.599 175.778 176.300 0.128 0.000 1.304 541 M CA -0.561 54.813 55.300 0.122 0.000 1.115 541 M CB 0.158 32.738 32.600 -0.034 0.000 1.664 541 M HN 0.111 nan 8.290 nan 0.000 0.459 542 Y N 6.034 126.353 120.300 0.031 0.000 2.377 542 Y HA 0.536 5.088 4.550 0.002 0.000 0.330 542 Y C -1.545 174.386 175.900 0.051 0.000 1.108 542 Y CA -0.343 57.779 58.100 0.038 0.000 1.308 542 Y CB 0.437 38.911 38.460 0.023 0.000 1.216 542 Y HN 0.676 nan 8.280 nan 0.000 0.518 543 L N 9.856 130.765 121.223 -0.524 0.000 2.415 543 L HA 0.385 4.727 4.340 0.002 0.000 0.268 543 L C -2.311 174.337 176.870 -0.370 0.000 0.984 543 L CA -2.191 52.458 54.840 -0.318 0.000 0.853 543 L CB 1.786 43.819 42.059 -0.043 0.000 1.215 543 L HN 0.598 nan 8.230 nan 0.000 0.419 544 P HA 0.002 nan 4.420 nan 0.000 0.264 544 P C -1.504 175.915 177.300 0.198 0.000 1.193 544 P CA 0.278 63.324 63.100 -0.090 0.000 0.763 544 P CB 0.813 32.590 31.700 0.127 0.000 0.810 545 Y N 1.501 121.812 120.300 0.018 0.000 2.544 545 Y HA 0.425 4.977 4.550 0.002 0.000 0.342 545 Y C -1.757 174.113 175.900 -0.050 0.000 1.062 545 Y CA -1.140 56.959 58.100 -0.002 0.000 1.023 545 Y CB 2.158 40.654 38.460 0.061 0.000 1.308 545 Y HN 0.303 nan 8.280 nan 0.000 0.457 546 D N 4.292 124.094 120.400 -0.997 0.000 2.471 546 D HA 0.255 4.897 4.640 0.002 0.000 0.245 546 D C 0.520 176.172 176.300 -1.080 0.000 1.116 546 D CA -0.456 53.077 54.000 -0.778 0.000 0.853 546 D CB 1.470 41.954 40.800 -0.526 0.000 1.123 546 D HN 0.631 nan 8.370 nan 0.000 0.540 547 K N 2.702 122.721 120.400 -0.635 0.000 2.009 547 K HA -0.193 4.128 4.320 0.002 0.000 0.210 547 K C 0.660 177.116 176.600 -0.240 0.000 1.049 547 K CA 1.587 57.694 56.287 -0.300 0.000 0.929 547 K CB 0.115 32.599 32.500 -0.026 0.000 0.714 547 K HN 0.446 nan 8.250 nan 0.000 0.440 548 D N 0.665 120.939 120.400 -0.209 0.000 2.133 548 D HA -0.173 4.469 4.640 0.002 0.000 0.195 548 D C 1.808 177.991 176.300 -0.195 0.000 0.997 548 D CA 1.221 55.125 54.000 -0.159 0.000 0.840 548 D CB -0.030 40.693 40.800 -0.130 0.000 0.947 548 D HN 0.292 nan 8.370 nan 0.000 0.452 549 L N -0.553 120.486 121.223 -0.306 0.000 2.529 549 L HA 0.081 4.422 4.340 0.002 0.000 0.223 549 L C 0.318 176.977 176.870 -0.352 0.000 1.113 549 L CA -0.128 54.510 54.840 -0.337 0.000 0.861 549 L CB -0.216 41.539 42.059 -0.506 0.000 1.012 549 L HN -0.026 nan 8.230 nan 0.000 0.461 550 N N 1.460 119.919 118.700 -0.402 0.000 2.714 550 N HA -0.220 4.521 4.740 0.002 0.000 0.253 550 N C -0.592 174.683 175.510 -0.390 0.000 1.024 550 N CA 0.702 53.574 53.050 -0.298 0.000 0.726 550 N CB -1.048 37.380 38.487 -0.098 0.000 0.908 550 N HN 0.573 nan 8.380 nan 0.000 0.542 551 I N -3.768 116.419 120.570 -0.639 0.000 3.042 551 I HA 0.646 4.817 4.170 0.002 0.000 0.310 551 I C -0.476 175.254 176.117 -0.646 0.000 1.117 551 I CA -1.304 59.602 61.300 -0.656 0.000 1.003 551 I CB 1.335 38.941 38.000 -0.657 0.000 1.228 551 I HN -0.116 nan 8.210 nan 0.000 0.443 552 F N 2.660 122.415 119.950 -0.326 0.000 2.410 552 F HA 0.456 4.984 4.527 0.002 0.000 0.348 552 F C 0.280 175.861 175.800 -0.364 0.000 1.106 552 F CA -0.996 56.685 58.000 -0.532 0.000 1.163 552 F CB 1.621 39.685 39.000 -1.559 0.000 1.129 552 F HN 0.107 nan 8.300 nan 0.000 0.516 553 V N 4.401 124.277 119.914 -0.063 0.000 2.455 553 V HA -0.028 4.094 4.120 0.002 0.000 0.273 553 V C 1.107 177.209 176.094 0.014 0.000 1.045 553 V CA -0.183 62.100 62.300 -0.029 0.000 0.976 553 V CB 1.026 32.856 31.823 0.012 0.000 0.993 553 V HN 0.936 nan 8.190 nan 0.000 0.475 554 Q N 3.815 123.522 119.800 -0.155 0.000 2.118 554 Q HA -0.182 4.160 4.340 0.002 0.000 0.211 554 Q C 0.683 176.753 176.000 0.116 0.000 0.998 554 Q CA 2.278 57.965 55.803 -0.193 0.000 0.872 554 Q CB 0.116 28.517 28.738 -0.560 0.000 0.925 554 Q HN 0.963 nan 8.270 nan 0.000 0.414 555 H N -3.308 115.888 119.070 0.211 0.000 3.014 555 H HA 0.248 4.805 4.556 0.002 0.000 0.337 555 H C -1.399 174.096 175.328 0.278 0.000 1.320 555 H CA -1.149 55.052 56.048 0.255 0.000 1.128 555 H CB 0.522 30.432 29.762 0.246 0.000 1.862 555 H HN -0.096 nan 8.280 nan 0.000 0.536 556 D N 0.549 121.249 120.400 0.500 0.000 2.450 556 D HA 0.219 4.861 4.640 0.002 0.000 0.247 556 D C 1.437 177.978 176.300 0.401 0.000 1.162 556 D CA 2.437 56.669 54.000 0.387 0.000 0.879 556 D CB 0.711 41.687 40.800 0.292 0.000 1.163 556 D HN 0.901 nan 8.370 nan 0.000 0.472 557 G N 2.587 111.558 108.800 0.285 0.000 2.175 557 G HA2 -0.371 3.590 3.960 0.002 0.000 0.244 557 G HA3 -0.371 3.590 3.960 0.002 0.000 0.244 557 G C 0.903 175.926 174.900 0.205 0.000 0.982 557 G CA 0.222 45.451 45.100 0.216 0.000 0.641 557 G HN 0.505 nan 8.290 nan 0.000 0.527 558 F N 1.202 121.171 119.950 0.032 0.000 2.126 558 F HA 0.064 4.592 4.527 0.003 0.000 0.299 558 F C 2.433 178.223 175.800 -0.016 0.000 1.096 558 F CA 2.243 60.166 58.000 -0.128 0.000 1.255 558 F CB -0.137 38.660 39.000 -0.338 0.000 0.997 558 F HN 0.217 nan 8.300 nan 0.000 0.479 559 L N -0.285 121.085 121.223 0.245 0.000 2.456 559 L HA -0.140 4.201 4.340 0.002 0.000 0.224 559 L C 1.260 178.149 176.870 0.031 0.000 1.148 559 L CA 0.657 55.589 54.840 0.154 0.000 0.825 559 L CB -0.724 41.385 42.059 0.084 0.000 0.937 559 L HN 0.030 nan 8.230 nan 0.000 0.450 560 D N 0.089 120.491 120.400 0.005 0.000 2.363 560 D HA -0.003 4.638 4.640 0.002 0.000 0.220 560 D C 0.894 177.150 176.300 -0.073 0.000 0.994 560 D CA 0.523 54.511 54.000 -0.020 0.000 0.890 560 D CB 0.163 40.965 40.800 0.003 0.000 0.906 560 D HN 0.267 nan 8.370 nan 0.000 0.530 561 K N 0.603 120.912 120.400 -0.151 0.000 2.156 561 K HA 0.040 4.362 4.320 0.002 0.000 0.242 561 K C 0.161 176.661 176.600 -0.168 0.000 1.033 561 K CA -0.329 55.829 56.287 -0.216 0.000 0.878 561 K CB 0.435 32.682 32.500 -0.422 0.000 1.057 561 K HN -0.195 nan 8.250 nan 0.000 0.505 562 D N 2.023 122.318 120.400 -0.175 0.000 2.483 562 D HA 0.069 4.711 4.640 0.002 0.000 0.220 562 D C -0.447 175.748 176.300 -0.175 0.000 1.173 562 D CA -0.344 53.574 54.000 -0.137 0.000 0.964 562 D CB -0.088 40.641 40.800 -0.117 0.000 1.046 562 D HN 0.229 nan 8.370 nan 0.000 0.517 563 I N 3.000 123.485 120.570 -0.143 0.000 2.587 563 I HA 0.144 4.315 4.170 0.002 0.000 0.284 563 I C 0.782 176.821 176.117 -0.130 0.000 1.134 563 I CA 0.634 61.842 61.300 -0.153 0.000 1.410 563 I CB -0.091 37.875 38.000 -0.058 0.000 1.392 563 I HN 0.378 nan 8.210 nan 0.000 0.545 564 E N 7.563 127.662 120.200 -0.168 0.000 2.375 564 E HA 0.363 4.714 4.350 0.002 0.000 0.280 564 E C -2.554 174.054 176.600 0.015 0.000 0.972 564 E CA -1.542 54.824 56.400 -0.058 0.000 0.782 564 E CB 3.366 33.075 29.700 0.014 0.000 1.229 564 E HN 0.299 nan 8.360 nan 0.000 0.439 565 P HA 0.015 nan 4.420 nan 0.000 0.272 565 P C 0.862 178.297 177.300 0.226 0.000 1.230 565 P CA -0.127 63.026 63.100 0.089 0.000 0.788 565 P CB 1.003 32.708 31.700 0.008 0.000 0.949 566 V N 1.742 121.744 119.914 0.146 0.000 2.594 566 V HA -0.226 3.895 4.120 0.002 0.000 0.253 566 V C 2.681 178.725 176.094 -0.082 0.000 1.069 566 V CA 2.686 64.957 62.300 -0.047 0.000 1.082 566 V CB -1.508 30.261 31.823 -0.091 0.000 0.680 566 V HN 0.759 nan 8.190 nan 0.000 0.469 567 S N -0.688 114.997 115.700 -0.025 0.000 2.465 567 S HA -0.164 4.307 4.470 0.002 0.000 0.241 567 S C 1.839 176.431 174.600 -0.013 0.000 1.000 567 S CA 1.561 59.745 58.200 -0.026 0.000 0.964 567 S CB -0.386 62.805 63.200 -0.015 0.000 0.763 567 S HN 0.528 nan 8.310 nan 0.000 0.512 568 S N 1.026 116.737 115.700 0.018 0.000 2.527 568 S HA 0.342 4.813 4.470 0.002 0.000 0.222 568 S C 0.579 175.199 174.600 0.034 0.000 0.985 568 S CA -0.074 58.151 58.200 0.041 0.000 0.921 568 S CB -0.343 62.911 63.200 0.090 0.000 0.772 568 S HN 0.532 nan 8.310 nan 0.000 0.529 569 I N 3.261 123.810 120.570 -0.035 0.000 2.396 569 I HA 0.193 4.364 4.170 0.002 0.000 0.289 569 I C -2.473 173.615 176.117 -0.047 0.000 1.056 569 I CA -2.345 58.921 61.300 -0.057 0.000 1.365 569 I CB 0.530 38.361 38.000 -0.283 0.000 1.407 569 I HN -0.133 nan 8.210 nan 0.000 0.509 570 P HA -0.018 nan 4.420 nan 0.000 0.264 570 P C 0.490 177.767 177.300 -0.039 0.000 1.193 570 P CA 0.077 63.176 63.100 -0.001 0.000 0.763 570 P CB 0.931 32.653 31.700 0.037 0.000 0.810 571 A N 4.120 126.914 122.820 -0.043 0.000 1.948 571 A HA -0.231 4.091 4.320 0.002 0.000 0.220 571 A C 1.568 179.117 177.584 -0.058 0.000 1.177 571 A CA 2.140 54.142 52.037 -0.059 0.000 0.636 571 A CB -1.173 17.799 19.000 -0.046 0.000 0.815 571 A HN 0.657 nan 8.150 nan 0.000 0.449 572 D N -0.916 119.464 120.400 -0.033 0.000 2.371 572 D HA -0.070 4.572 4.640 0.002 0.000 0.234 572 D C 1.279 177.567 176.300 -0.020 0.000 1.049 572 D CA 0.734 54.719 54.000 -0.024 0.000 0.907 572 D CB -0.364 40.433 40.800 -0.006 0.000 0.891 572 D HN 0.616 nan 8.370 nan 0.000 0.531 573 Q N -0.788 118.985 119.800 -0.044 0.000 2.217 573 Q HA 0.238 4.579 4.340 0.002 0.000 0.217 573 Q C 0.043 175.881 176.000 -0.269 0.000 0.844 573 Q CA -0.236 55.528 55.803 -0.065 0.000 0.957 573 Q CB 1.014 29.807 28.738 0.092 0.000 1.127 573 Q HN 0.142 nan 8.270 nan 0.000 0.503 574 R N 1.764 122.136 120.500 -0.213 0.000 2.532 574 R HA 0.388 4.729 4.340 0.002 0.000 0.295 574 R C -2.482 173.732 176.300 -0.142 0.000 0.968 574 R CA -1.893 54.063 56.100 -0.241 0.000 0.916 574 R CB 0.978 31.151 30.300 -0.211 0.000 1.124 574 R HN -0.044 nan 8.270 nan 0.000 0.463 575 P HA 0.060 nan 4.420 nan 0.000 0.275 575 P C 0.861 178.016 177.300 -0.241 0.000 1.228 575 P CA -0.144 62.869 63.100 -0.144 0.000 0.786 575 P CB 0.654 32.330 31.700 -0.040 0.000 0.927 576 I N 0.676 121.006 120.570 -0.400 0.000 2.614 576 I HA -0.233 3.938 4.170 0.002 0.000 0.258 576 I C 1.303 177.266 176.117 -0.257 0.000 1.189 576 I CA 1.520 62.432 61.300 -0.647 0.000 1.462 576 I CB -1.114 36.231 38.000 -1.093 0.000 1.092 576 I HN 0.161 nan 8.210 nan 0.000 0.442 577 N N 1.474 120.138 118.700 -0.060 0.000 2.381 577 N HA -0.218 4.523 4.740 0.002 0.000 0.182 577 N C 1.583 177.149 175.510 0.093 0.000 1.025 577 N CA 1.215 54.328 53.050 0.106 0.000 0.888 577 N CB -0.600 38.043 38.487 0.260 0.000 0.965 577 N HN 0.611 nan 8.380 nan 0.000 0.438 578 Q N -1.223 118.594 119.800 0.028 0.000 2.356 578 Q HA 0.229 4.570 4.340 0.002 0.000 0.205 578 Q C 0.369 176.389 176.000 0.035 0.000 0.901 578 Q CA 0.288 56.111 55.803 0.032 0.000 0.938 578 Q CB 0.234 28.979 28.738 0.012 0.000 1.081 578 Q HN 0.523 nan 8.270 nan 0.000 0.517 579 N N -1.545 117.167 118.700 0.019 0.000 2.211 579 N HA 0.046 4.787 4.740 0.002 0.000 0.216 579 N C -0.932 174.774 175.510 0.327 0.000 1.240 579 N CA -0.057 53.053 53.050 0.100 0.000 0.895 579 N CB 0.729 39.231 38.487 0.026 0.000 1.102 579 N HN 0.039 nan 8.380 nan 0.000 0.498 580 W N 1.962 123.263 121.300 0.002 0.000 2.578 580 W HA 0.511 5.173 4.660 0.003 0.000 0.346 580 W C 0.343 176.880 176.519 0.030 0.000 1.075 580 W CA -1.791 55.550 57.345 -0.007 0.000 1.233 580 W CB 0.491 29.918 29.460 -0.055 0.000 1.358 580 W HN -0.209 nan 8.180 nan 0.000 0.574 581 S N 1.266 117.096 115.700 0.218 0.000 2.580 581 S HA 0.011 4.483 4.470 0.002 0.000 0.274 581 S C 0.982 175.712 174.600 0.216 0.000 1.329 581 S CA -0.609 57.701 58.200 0.182 0.000 1.036 581 S CB 0.959 64.217 63.200 0.097 0.000 0.919 581 S HN 0.683 nan 8.310 nan 0.000 0.515 582 W N 2.885 124.210 121.300 0.041 0.000 2.325 582 W HA -0.238 4.423 4.660 0.002 0.000 0.299 582 W C 1.490 178.020 176.519 0.020 0.000 1.215 582 W CA 2.264 59.623 57.345 0.023 0.000 1.244 582 W CB -0.312 29.161 29.460 0.021 0.000 1.140 582 W HN 1.005 nan 8.180 nan 0.000 0.523 583 D N 0.313 120.753 120.400 0.068 0.000 2.144 583 D HA -0.277 4.365 4.640 0.002 0.000 0.199 583 D C 1.854 178.078 176.300 -0.127 0.000 0.984 583 D CA 1.585 55.562 54.000 -0.038 0.000 0.834 583 D CB -0.928 39.883 40.800 0.018 0.000 0.955 583 D HN 0.224 nan 8.370 nan 0.000 0.465 584 K N 0.646 120.975 120.400 -0.118 0.000 2.057 584 K HA -0.079 4.242 4.320 0.002 0.000 0.206 584 K C 2.561 179.090 176.600 -0.118 0.000 1.050 584 K CA 0.808 56.985 56.287 -0.183 0.000 0.935 584 K CB -0.125 32.182 32.500 -0.321 0.000 0.715 584 K HN 0.118 nan 8.250 nan 0.000 0.439 585 I N 1.292 121.799 120.570 -0.105 0.000 2.163 585 I HA -0.335 3.837 4.170 0.002 0.000 0.243 585 I C 2.235 178.150 176.117 -0.336 0.000 1.085 585 I CA 1.237 62.407 61.300 -0.216 0.000 1.347 585 I CB -0.264 37.325 38.000 -0.686 0.000 1.044 585 I HN 0.219 nan 8.210 nan 0.000 0.408 586 L N 0.605 121.541 121.223 -0.478 0.000 1.994 586 L HA -0.212 4.129 4.340 0.002 0.000 0.208 586 L C 2.789 179.575 176.870 -0.139 0.000 1.071 586 L CA 1.739 56.387 54.840 -0.321 0.000 0.745 586 L CB -0.712 41.157 42.059 -0.318 0.000 0.892 586 L HN 0.356 nan 8.230 nan 0.000 0.431 587 R N 0.426 120.847 120.500 -0.132 0.000 2.236 587 R HA 0.003 4.344 4.340 0.002 0.000 0.208 587 R C 1.328 177.544 176.300 -0.141 0.000 1.036 587 R CA 0.585 56.619 56.100 -0.110 0.000 1.001 587 R CB -0.515 29.724 30.300 -0.102 0.000 0.896 587 R HN 0.346 nan 8.270 nan 0.000 0.464 588 S N 1.658 117.291 115.700 -0.113 0.000 2.596 588 S HA 0.147 4.618 4.470 0.002 0.000 0.260 588 S C -1.601 172.842 174.600 -0.261 0.000 1.336 588 S CA -1.116 57.006 58.200 -0.130 0.000 0.993 588 S CB 0.986 64.277 63.200 0.151 0.000 0.923 588 S HN 0.126 nan 8.310 nan 0.000 0.567 589 P HA 0.165 nan 4.420 nan 0.000 0.257 589 P C -0.758 176.333 177.300 -0.348 0.000 1.325 589 P CA -0.004 62.775 63.100 -0.535 0.000 0.850 589 P CB -0.379 30.978 31.700 -0.572 0.000 1.324 590 Y N 0.594 120.949 120.300 0.092 0.000 2.359 590 Y HA 0.278 4.829 4.550 0.002 0.000 0.334 590 Y C 1.306 177.330 175.900 0.208 0.000 1.058 590 Y CA -0.821 57.352 58.100 0.122 0.000 1.244 590 Y CB 0.635 39.149 38.460 0.090 0.000 1.187 590 Y HN -0.223 nan 8.280 nan 0.000 0.510 591 I N 4.111 124.860 120.570 0.297 0.000 2.331 591 I HA 0.119 4.291 4.170 0.002 0.000 0.292 591 I C 1.192 177.312 176.117 0.005 0.000 0.998 591 I CA -0.340 61.062 61.300 0.170 0.000 1.267 591 I CB 1.662 39.722 38.000 0.101 0.000 1.386 591 I HN 0.718 nan 8.210 nan 0.000 0.476 592 K N 6.032 126.315 120.400 -0.195 0.000 2.057 592 K HA -0.076 4.245 4.320 0.002 0.000 0.206 592 K C 0.410 176.853 176.600 -0.262 0.000 1.050 592 K CA 1.284 57.248 56.287 -0.537 0.000 0.935 592 K CB 0.360 32.153 32.500 -1.178 0.000 0.715 592 K HN 0.789 nan 8.250 nan 0.000 0.439 593 Q N -2.233 117.483 119.800 -0.141 0.000 2.782 593 Q HA 0.293 4.634 4.340 0.002 0.000 0.308 593 Q C -0.762 175.277 176.000 0.065 0.000 0.883 593 Q CA -0.851 54.945 55.803 -0.012 0.000 0.755 593 Q CB 0.472 29.215 28.738 0.007 0.000 1.454 593 Q HN 0.054 nan 8.270 nan 0.000 0.452 594 G N 0.184 109.074 108.800 0.151 0.000 2.321 594 G HA2 0.138 4.099 3.960 0.002 0.000 0.237 594 G HA3 0.138 4.099 3.960 0.002 0.000 0.237 594 G C -0.480 174.428 174.900 0.013 0.000 1.282 594 G CA 0.775 45.905 45.100 0.051 0.000 0.886 594 G HN 0.680 nan 8.290 nan 0.000 0.528 595 D N 0.534 120.896 120.400 -0.063 0.000 2.957 595 D HA -0.068 4.573 4.640 0.002 0.000 0.175 595 D C 2.478 178.752 176.300 -0.044 0.000 1.502 595 D CA 0.039 53.992 54.000 -0.079 0.000 1.524 595 D CB 0.078 40.808 40.800 -0.118 0.000 1.300 595 D HN 0.162 nan 8.370 nan 0.000 0.241 596 V N 2.271 122.067 119.914 -0.197 0.000 2.343 596 V HA -0.147 3.974 4.120 0.002 0.000 0.247 596 V C 2.682 178.743 176.094 -0.056 0.000 1.051 596 V CA 1.213 63.425 62.300 -0.146 0.000 1.036 596 V CB -0.442 31.030 31.823 -0.586 0.000 0.654 596 V HN 0.298 nan 8.190 nan 0.000 0.451 597 L N -0.292 120.868 121.223 -0.105 0.000 2.275 597 L HA -0.190 4.151 4.340 0.002 0.000 0.215 597 L C 2.528 179.432 176.870 0.056 0.000 1.119 597 L CA 1.312 56.149 54.840 -0.005 0.000 0.790 597 L CB -0.542 41.497 42.059 -0.033 0.000 0.919 597 L HN 0.398 nan 8.230 nan 0.000 0.443 598 Q N 0.676 120.514 119.800 0.063 0.000 2.083 598 Q HA -0.099 4.242 4.340 0.002 0.000 0.198 598 Q C 2.141 178.262 176.000 0.201 0.000 0.969 598 Q CA 1.899 57.799 55.803 0.162 0.000 0.838 598 Q CB -0.402 28.429 28.738 0.155 0.000 0.900 598 Q HN 0.344 nan 8.270 nan 0.000 0.436 599 G N 0.689 109.601 108.800 0.187 0.000 2.421 599 G HA2 -0.211 3.750 3.960 0.002 0.000 0.216 599 G HA3 -0.211 3.750 3.960 0.002 0.000 0.216 599 G C 1.453 176.523 174.900 0.284 0.000 1.171 599 G CA 0.956 46.194 45.100 0.231 0.000 0.775 599 G HN 0.417 nan 8.290 nan 0.000 0.543 600 I N -0.923 119.776 120.570 0.216 0.000 2.286 600 I HA -0.152 4.020 4.170 0.002 0.000 0.248 600 I C 2.502 178.758 176.117 0.230 0.000 1.115 600 I CA 1.127 62.516 61.300 0.148 0.000 1.392 600 I CB -0.218 37.796 38.000 0.023 0.000 1.065 600 I HN 0.389 nan 8.210 nan 0.000 0.418 601 W N 2.516 123.824 121.300 0.015 0.000 2.355 601 W HA -0.215 4.446 4.660 0.002 0.000 0.309 601 W C 2.122 178.576 176.519 -0.109 0.000 1.206 601 W CA 1.570 58.899 57.345 -0.025 0.000 1.284 601 W CB -0.315 29.119 29.460 -0.043 0.000 1.145 601 W HN 0.100 nan 8.180 nan 0.000 0.502 602 D N -0.564 119.619 120.400 -0.361 0.000 2.117 602 D HA -0.158 4.483 4.640 0.002 0.000 0.197 602 D C 0.643 176.384 176.300 -0.931 0.000 0.987 602 D CA 1.405 54.789 54.000 -1.028 0.000 0.829 602 D CB -0.549 39.359 40.800 -1.485 0.000 0.961 602 D HN 0.147 nan 8.370 nan 0.000 0.460 603 F N 0.387 120.244 119.950 -0.154 0.000 2.848 603 F HA 0.318 4.847 4.527 0.002 0.000 0.321 603 F C 1.506 177.397 175.800 0.152 0.000 1.281 603 F CA -0.437 57.576 58.000 0.022 0.000 1.209 603 F CB 0.023 39.066 39.000 0.071 0.000 1.152 603 F HN -0.196 nan 8.300 nan 0.000 0.521 604 I N 0.248 120.893 120.570 0.124 0.000 2.335 604 I HA -0.284 3.887 4.170 0.002 0.000 0.251 604 I C 1.514 177.731 176.117 0.166 0.000 1.129 604 I CA 1.690 63.083 61.300 0.155 0.000 1.402 604 I CB 0.176 38.201 38.000 0.041 0.000 1.069 604 I HN 0.201 nan 8.210 nan 0.000 0.424 605 D N 0.357 120.826 120.400 0.115 0.000 2.349 605 D HA -0.059 4.583 4.640 0.002 0.000 0.215 605 D C 1.003 177.343 176.300 0.067 0.000 1.016 605 D CA 0.492 54.537 54.000 0.075 0.000 0.870 605 D CB -0.009 40.809 40.800 0.029 0.000 0.917 605 D HN 0.403 nan 8.370 nan 0.000 0.524 606 D N -0.611 119.837 120.400 0.079 0.000 2.340 606 D HA -0.004 4.637 4.640 0.002 0.000 0.220 606 D C -0.156 175.905 176.300 -0.399 0.000 1.039 606 D CA 0.277 54.190 54.000 -0.145 0.000 0.866 606 D CB 0.208 40.876 40.800 -0.219 0.000 0.913 606 D HN 0.267 nan 8.370 nan 0.000 0.523 607 Y N -0.026 120.348 120.300 0.122 0.000 2.446 607 Y HA 0.258 4.809 4.550 0.002 0.000 0.345 607 Y C 0.996 176.951 175.900 0.092 0.000 0.984 607 Y CA -1.324 56.858 58.100 0.136 0.000 1.058 607 Y CB 1.330 39.910 38.460 0.200 0.000 1.220 607 Y HN -0.296 nan 8.280 nan 0.000 0.455 608 T N -0.796 113.886 114.554 0.213 0.000 2.813 608 T HA 0.136 4.488 4.350 0.002 0.000 0.297 608 T C -2.057 172.712 174.700 0.115 0.000 1.036 608 T CA -1.470 60.705 62.100 0.125 0.000 1.044 608 T CB 1.109 70.032 68.868 0.092 0.000 0.993 608 T HN 0.363 nan 8.240 nan 0.000 0.535 609 P HA -0.060 nan 4.420 nan 0.000 0.216 609 P C 1.464 178.785 177.300 0.035 0.000 1.150 609 P CA 1.089 64.211 63.100 0.037 0.000 0.837 609 P CB 0.092 31.811 31.700 0.032 0.000 0.786 610 E N -0.585 119.644 120.200 0.047 0.000 2.072 610 E HA -0.198 4.153 4.350 0.002 0.000 0.191 610 E C 2.161 178.784 176.600 0.038 0.000 0.985 610 E CA 0.974 57.398 56.400 0.040 0.000 0.801 610 E CB -0.273 29.450 29.700 0.037 0.000 0.750 610 E HN 0.404 nan 8.360 nan 0.000 0.452 611 Q N 0.660 120.497 119.800 0.060 0.000 2.050 611 Q HA -0.181 4.160 4.340 0.002 0.000 0.202 611 Q C 2.093 178.111 176.000 0.031 0.000 0.980 611 Q CA 1.283 57.108 55.803 0.037 0.000 0.840 611 Q CB -0.109 28.726 28.738 0.161 0.000 0.898 611 Q HN 0.074 nan 8.270 nan 0.000 0.424 612 K N 0.882 121.335 120.400 0.087 0.000 2.097 612 K HA -0.163 4.158 4.320 0.002 0.000 0.206 612 K C 2.029 178.686 176.600 0.096 0.000 1.049 612 K CA 1.109 57.448 56.287 0.087 0.000 0.933 612 K CB -0.021 32.523 32.500 0.074 0.000 0.717 612 K HN 0.036 nan 8.250 nan 0.000 0.442 613 K N 0.536 120.971 120.400 0.058 0.000 2.001 613 K HA -0.125 4.196 4.320 0.002 0.000 0.208 613 K C 2.136 178.832 176.600 0.161 0.000 1.048 613 K CA 1.298 57.643 56.287 0.097 0.000 0.932 613 K CB -0.139 32.397 32.500 0.061 0.000 0.715 613 K HN 0.138 nan 8.250 nan 0.000 0.437 614 A N 1.946 124.810 122.820 0.073 0.000 1.865 614 A HA -0.219 4.102 4.320 0.002 0.000 0.217 614 A C 1.884 179.491 177.584 0.038 0.000 1.191 614 A CA 1.905 53.955 52.037 0.022 0.000 0.623 614 A CB -0.774 18.179 19.000 -0.078 0.000 0.826 614 A HN 0.425 nan 8.150 nan 0.000 0.444 615 N N -1.383 117.337 118.700 0.034 0.000 2.120 615 N HA -0.136 4.605 4.740 0.002 0.000 0.188 615 N C 1.623 177.312 175.510 0.298 0.000 1.024 615 N CA 1.609 54.736 53.050 0.129 0.000 0.852 615 N CB -0.434 38.098 38.487 0.075 0.000 1.003 615 N HN 0.551 nan 8.380 nan 0.000 0.424 616 F N 2.620 122.666 119.950 0.159 0.000 2.075 616 F HA -0.156 4.372 4.527 0.003 0.000 0.297 616 F C 1.846 177.768 175.800 0.204 0.000 1.113 616 F CA 1.434 59.558 58.000 0.208 0.000 1.218 616 F CB -0.166 38.946 39.000 0.188 0.000 0.984 616 F HN -0.097 nan 8.300 nan 0.000 0.472 617 D N -0.254 120.377 120.400 0.385 0.000 2.182 617 D HA -0.215 4.426 4.640 0.002 0.000 0.201 617 D C 1.960 178.289 176.300 0.048 0.000 0.986 617 D CA 1.292 55.429 54.000 0.229 0.000 0.847 617 D CB -0.614 40.329 40.800 0.238 0.000 0.942 617 D HN 0.368 nan 8.370 nan 0.000 0.467 618 F N -0.185 119.689 119.950 -0.126 0.000 2.118 618 F HA -0.100 4.429 4.527 0.002 0.000 0.293 618 F C 2.029 177.628 175.800 -0.335 0.000 1.102 618 F CA 1.177 59.001 58.000 -0.294 0.000 1.247 618 F CB -0.370 38.325 39.000 -0.509 0.000 1.017 618 F HN -0.095 nan 8.300 nan 0.000 0.475 619 Y N -0.144 120.106 120.300 -0.083 0.000 2.286 619 Y HA -0.100 4.451 4.550 0.002 0.000 0.293 619 Y C 2.577 178.312 175.900 -0.274 0.000 1.124 619 Y CA 1.020 59.004 58.100 -0.193 0.000 1.178 619 Y CB -0.479 37.950 38.460 -0.052 0.000 1.010 619 Y HN 0.039 nan 8.280 nan 0.000 0.536 620 E N 0.939 120.996 120.200 -0.238 0.000 2.070 620 E HA -0.202 4.149 4.350 0.002 0.000 0.197 620 E C -0.860 175.563 176.600 -0.296 0.000 1.004 620 E CA 1.514 57.661 56.400 -0.421 0.000 0.805 620 E CB -1.270 27.877 29.700 -0.923 0.000 0.744 620 E HN 0.303 nan 8.360 nan 0.000 0.451 621 P HA -0.049 nan 4.420 nan 0.000 0.230 621 P C 1.046 178.275 177.300 -0.120 0.000 1.158 621 P CA 0.884 63.886 63.100 -0.163 0.000 0.769 621 P CB -0.057 31.548 31.700 -0.159 0.000 0.807 622 L N -2.582 118.557 121.223 -0.140 0.000 2.607 622 L HA 0.123 4.465 4.340 0.002 0.000 0.228 622 L C 0.376 177.272 176.870 0.044 0.000 1.123 622 L CA 0.281 55.116 54.840 -0.008 0.000 0.890 622 L CB -0.346 41.668 42.059 -0.074 0.000 1.103 622 L HN -0.172 nan 8.230 nan 0.000 0.468 623 T N 0.535 114.994 114.554 -0.158 0.000 2.771 623 T HA 0.153 4.504 4.350 0.002 0.000 0.291 623 T C 1.170 175.598 174.700 -0.454 0.000 0.954 623 T CA -0.297 61.590 62.100 -0.354 0.000 1.045 623 T CB 2.020 70.469 68.868 -0.698 0.000 0.917 623 T HN 0.022 nan 8.240 nan 0.000 0.484 624 V N 0.388 120.126 119.914 -0.293 0.000 3.608 624 V HA 0.119 4.241 4.120 0.002 0.000 0.269 624 V C 0.669 176.682 176.094 -0.135 0.000 1.245 624 V CA -0.050 62.136 62.300 -0.191 0.000 1.138 624 V CB -1.166 30.596 31.823 -0.101 0.000 0.841 624 V HN 1.059 nan 8.190 nan 0.000 0.451 625 H N 0.650 119.645 119.070 -0.126 0.000 2.692 625 H HA -0.173 4.384 4.556 0.002 0.000 0.316 625 H C 0.804 176.066 175.328 -0.109 0.000 1.176 625 H CA 1.160 57.123 56.048 -0.142 0.000 1.142 625 H CB -1.802 27.856 29.762 -0.173 0.000 1.475 625 H HN 0.736 nan 8.280 nan 0.000 0.423 626 E N 0.156 120.337 120.200 -0.032 0.000 2.403 626 E HA 0.111 4.462 4.350 0.002 0.000 0.188 626 E C 0.465 177.064 176.600 -0.002 0.000 1.056 626 E CA 0.031 56.436 56.400 0.008 0.000 0.892 626 E CB 0.533 30.292 29.700 0.098 0.000 1.049 626 E HN 0.225 nan 8.360 nan 0.000 0.465 627 S N -0.136 115.539 115.700 -0.043 0.000 2.532 627 S HA 0.144 4.616 4.470 0.002 0.000 0.299 627 S C 1.036 175.572 174.600 -0.108 0.000 1.105 627 S CA -0.617 57.560 58.200 -0.039 0.000 1.018 627 S CB 1.435 64.606 63.200 -0.049 0.000 1.021 627 S HN 0.157 nan 8.310 nan 0.000 0.483 628 S N 4.476 120.097 115.700 -0.130 0.000 2.469 628 S HA -0.027 4.444 4.470 0.002 0.000 0.238 628 S C 1.299 175.708 174.600 -0.319 0.000 0.998 628 S CA 0.716 58.765 58.200 -0.252 0.000 0.957 628 S CB -0.619 62.422 63.200 -0.266 0.000 0.764 628 S HN 0.733 nan 8.310 nan 0.000 0.514 629 L N 1.128 122.118 121.223 -0.388 0.000 2.612 629 L HA 0.236 4.577 4.340 0.002 0.000 0.230 629 L C 2.478 178.994 176.870 -0.590 0.000 1.140 629 L CA 0.288 54.687 54.840 -0.735 0.000 0.896 629 L CB -0.207 41.171 42.059 -1.135 0.000 1.065 629 L HN 0.369 nan 8.230 nan 0.000 0.447 630 S N 0.671 116.213 115.700 -0.263 0.000 2.355 630 S HA 0.056 4.527 4.470 0.002 0.000 0.216 630 S C -0.389 174.276 174.600 0.109 0.000 1.037 630 S CA 0.544 58.743 58.200 -0.001 0.000 0.955 630 S CB -0.632 62.665 63.200 0.161 0.000 0.877 630 S HN 0.173 nan 8.310 nan 0.000 0.488 631 P HA -0.143 nan 4.420 nan 0.000 0.216 631 P C 1.406 178.600 177.300 -0.177 0.000 1.157 631 P CA 1.978 64.920 63.100 -0.263 0.000 0.880 631 P CB -0.377 31.065 31.700 -0.430 0.000 0.791 632 A N 0.645 123.317 122.820 -0.248 0.000 1.865 632 A HA -0.215 4.107 4.320 0.002 0.000 0.217 632 A C 2.296 179.715 177.584 -0.275 0.000 1.191 632 A CA 2.662 54.553 52.037 -0.244 0.000 0.623 632 A CB -1.742 17.100 19.000 -0.262 0.000 0.826 632 A HN 0.348 nan 8.150 nan 0.000 0.444 633 I N -3.512 116.780 120.570 -0.464 0.000 2.493 633 I HA -0.185 3.986 4.170 0.002 0.000 0.254 633 I C 2.032 177.937 176.117 -0.355 0.000 1.160 633 I CA 1.899 62.748 61.300 -0.753 0.000 1.445 633 I CB -0.956 36.325 38.000 -1.199 0.000 1.086 633 I HN 0.337 nan 8.210 nan 0.000 0.433 634 H N 0.247 119.265 119.070 -0.087 0.000 2.428 634 H HA -0.027 4.530 4.556 0.002 0.000 0.296 634 H C 2.417 177.859 175.328 0.191 0.000 1.062 634 H CA 1.514 57.657 56.048 0.158 0.000 1.350 634 H CB 0.032 29.902 29.762 0.179 0.000 1.403 634 H HN 0.521 nan 8.280 nan 0.000 0.533 635 S N 0.225 116.010 115.700 0.141 0.000 2.355 635 S HA -0.101 4.371 4.470 0.002 0.000 0.222 635 S C 2.402 177.055 174.600 0.089 0.000 1.031 635 S CA 1.136 59.402 58.200 0.110 0.000 0.993 635 S CB -0.415 62.791 63.200 0.010 0.000 0.859 635 S HN 0.105 nan 8.310 nan 0.000 0.453 636 V N 2.536 122.471 119.914 0.035 0.000 2.233 636 V HA -0.199 3.922 4.120 0.002 0.000 0.247 636 V C 2.484 178.631 176.094 0.088 0.000 1.050 636 V CA 2.172 64.522 62.300 0.083 0.000 1.010 636 V CB -0.853 31.087 31.823 0.195 0.000 0.637 636 V HN 0.497 nan 8.190 nan 0.000 0.444 637 L N -0.006 121.279 121.223 0.102 0.000 2.081 637 L HA -0.236 4.105 4.340 0.002 0.000 0.212 637 L C 2.707 179.404 176.870 -0.289 0.000 1.080 637 L CA 1.704 56.555 54.840 0.018 0.000 0.754 637 L CB -0.857 41.315 42.059 0.188 0.000 0.893 637 L HN 0.405 nan 8.230 nan 0.000 0.433 638 A N -0.062 122.603 122.820 -0.258 0.000 1.898 638 A HA -0.140 4.181 4.320 0.002 0.000 0.216 638 A C 2.557 180.014 177.584 -0.211 0.000 1.181 638 A CA 1.671 53.479 52.037 -0.381 0.000 0.620 638 A CB -0.687 18.351 19.000 0.063 0.000 0.819 638 A HN 0.399 nan 8.150 nan 0.000 0.442 639 A N -0.000 122.823 122.820 0.005 0.000 1.902 639 A HA -0.218 4.103 4.320 0.002 0.000 0.217 639 A C 1.819 179.355 177.584 -0.079 0.000 1.181 639 A CA 2.198 54.323 52.037 0.146 0.000 0.623 639 A CB -0.816 18.410 19.000 0.376 0.000 0.818 639 A HN 0.560 nan 8.150 nan 0.000 0.443 640 D N -0.317 120.001 120.400 -0.137 0.000 2.149 640 D HA -0.121 4.520 4.640 0.002 0.000 0.198 640 D C 1.470 177.454 176.300 -0.527 0.000 0.990 640 D CA 1.118 54.981 54.000 -0.229 0.000 0.839 640 D CB -0.171 40.559 40.800 -0.115 0.000 0.948 640 D HN 0.427 nan 8.370 nan 0.000 0.460 641 L N -0.835 120.020 121.223 -0.613 0.000 2.612 641 L HA 0.122 4.464 4.340 0.002 0.000 0.230 641 L C 0.148 176.582 176.870 -0.726 0.000 1.140 641 L CA 0.047 54.416 54.840 -0.785 0.000 0.896 641 L CB -0.220 41.159 42.059 -1.133 0.000 1.065 641 L HN 0.251 nan 8.230 nan 0.000 0.447 642 H N -3.012 115.878 119.070 -0.301 0.000 3.109 642 H HA -0.213 4.345 4.556 0.002 0.000 0.245 642 H C -0.119 175.134 175.328 -0.124 0.000 1.187 642 H CA 0.580 56.499 56.048 -0.215 0.000 1.136 642 H CB -2.390 27.283 29.762 -0.149 0.000 1.243 642 H HN 0.449 nan 8.280 nan 0.000 0.328 643 Y N 1.574 121.787 120.300 -0.145 0.000 2.667 643 Y HA 0.052 4.604 4.550 0.002 0.000 0.340 643 Y C 1.651 177.456 175.900 -0.159 0.000 1.303 643 Y CA -0.572 57.453 58.100 -0.125 0.000 1.769 643 Y CB 0.258 38.651 38.460 -0.112 0.000 1.804 643 Y HN 0.271 nan 8.280 nan 0.000 0.451 644 E N 0.654 120.749 120.200 -0.175 0.000 2.038 644 E HA -0.222 4.130 4.350 0.002 0.000 0.195 644 E C 1.064 177.586 176.600 -0.129 0.000 1.000 644 E CA 1.404 57.543 56.400 -0.435 0.000 0.803 644 E CB 0.112 29.292 29.700 -0.868 0.000 0.750 644 E HN 0.670 nan 8.360 nan 0.000 0.448 645 D N 0.663 121.009 120.400 -0.089 0.000 2.117 645 D HA -0.162 4.479 4.640 0.002 0.000 0.197 645 D C 1.911 178.232 176.300 0.035 0.000 0.987 645 D CA 1.161 55.139 54.000 -0.035 0.000 0.829 645 D CB -0.134 40.642 40.800 -0.040 0.000 0.961 645 D HN -0.026 nan 8.370 nan 0.000 0.460 646 K N 1.286 121.727 120.400 0.068 0.000 2.097 646 K HA -0.017 4.305 4.320 0.002 0.000 0.205 646 K C 1.807 178.515 176.600 0.181 0.000 1.050 646 K CA 1.369 57.730 56.287 0.125 0.000 0.938 646 K CB -0.422 32.183 32.500 0.175 0.000 0.718 646 K HN 0.005 nan 8.250 nan 0.000 0.442 647 A N 0.165 123.117 122.820 0.219 0.000 1.902 647 A HA -0.095 4.226 4.320 0.002 0.000 0.217 647 A C 2.303 180.124 177.584 0.396 0.000 1.181 647 A CA 1.861 54.090 52.037 0.321 0.000 0.623 647 A CB -0.790 18.489 19.000 0.465 0.000 0.818 647 A HN 0.124 nan 8.150 nan 0.000 0.443 648 V N 0.229 120.335 119.914 0.320 0.000 2.358 648 V HA -0.265 3.856 4.120 0.002 0.000 0.246 648 V C 2.537 178.789 176.094 0.263 0.000 1.047 648 V CA 2.257 64.725 62.300 0.281 0.000 1.035 648 V CB -0.751 31.041 31.823 -0.052 0.000 0.658 648 V HN 0.803 nan 8.190 nan 0.000 0.452 649 E N 0.337 120.631 120.200 0.156 0.000 2.058 649 E HA -0.233 4.118 4.350 0.002 0.000 0.194 649 E C 2.223 178.853 176.600 0.050 0.000 0.997 649 E CA 1.596 58.058 56.400 0.104 0.000 0.801 649 E CB -0.179 29.562 29.700 0.068 0.000 0.746 649 E HN 0.574 nan 8.360 nan 0.000 0.450 650 L N 0.240 121.491 121.223 0.046 0.000 2.131 650 L HA -0.169 4.172 4.340 0.002 0.000 0.210 650 L C 2.603 179.414 176.870 -0.097 0.000 1.092 650 L CA 1.196 55.994 54.840 -0.070 0.000 0.759 650 L CB -0.566 41.487 42.059 -0.009 0.000 0.903 650 L HN 0.312 nan 8.230 nan 0.000 0.435 651 Y N 0.479 120.750 120.300 -0.049 0.000 2.181 651 Y HA -0.269 4.282 4.550 0.002 0.000 0.288 651 Y C 2.695 178.556 175.900 -0.065 0.000 1.146 651 Y CA 1.807 59.857 58.100 -0.083 0.000 1.164 651 Y CB -0.281 38.189 38.460 0.016 0.000 0.982 651 Y HN 0.034 nan 8.280 nan 0.000 0.515 652 S N 0.536 116.147 115.700 -0.149 0.000 2.368 652 S HA -0.200 4.272 4.470 0.002 0.000 0.225 652 S C 2.043 176.401 174.600 -0.404 0.000 1.030 652 S CA 1.361 59.442 58.200 -0.199 0.000 0.999 652 S CB -0.425 62.835 63.200 0.099 0.000 0.844 652 S HN 0.521 nan 8.310 nan 0.000 0.459 653 R N 0.389 120.564 120.500 -0.541 0.000 2.120 653 R HA -0.099 4.242 4.340 0.002 0.000 0.234 653 R C 2.380 178.185 176.300 -0.825 0.000 1.123 653 R CA 1.728 57.176 56.100 -1.085 0.000 0.975 653 R CB -0.382 29.428 30.300 -0.816 0.000 0.866 653 R HN 0.374 nan 8.270 nan 0.000 0.446 654 T N -1.025 113.190 114.554 -0.565 0.000 2.953 654 T HA 0.144 4.495 4.350 0.002 0.000 0.247 654 T C 1.699 176.169 174.700 -0.383 0.000 1.029 654 T CA 0.817 62.653 62.100 -0.439 0.000 1.144 654 T CB -0.078 68.572 68.868 -0.364 0.000 0.870 654 T HN 0.383 nan 8.240 nan 0.000 0.446 655 A N 1.397 123.901 122.820 -0.527 0.000 1.978 655 A HA 0.010 4.332 4.320 0.002 0.000 0.220 655 A C 2.097 179.573 177.584 -0.180 0.000 1.170 655 A CA 1.220 53.003 52.037 -0.424 0.000 0.636 655 A CB -0.314 18.177 19.000 -0.849 0.000 0.810 655 A HN 0.563 nan 8.150 nan 0.000 0.448 656 R N -0.498 119.895 120.500 -0.177 0.000 2.652 656 R HA 0.267 4.608 4.340 0.002 0.000 0.372 656 R C 1.151 177.513 176.300 0.103 0.000 1.104 656 R CA -0.414 55.694 56.100 0.013 0.000 1.072 656 R CB 0.183 30.541 30.300 0.097 0.000 1.367 656 R HN 0.386 nan 8.270 nan 0.000 0.577 657 L N 1.271 122.461 121.223 -0.055 0.000 1.990 657 L HA -0.227 4.115 4.340 0.002 0.000 0.213 657 L C 0.994 177.932 176.870 0.114 0.000 1.072 657 L CA 2.211 57.026 54.840 -0.041 0.000 0.755 657 L CB -0.252 41.672 42.059 -0.226 0.000 0.889 657 L HN 0.282 nan 8.230 nan 0.000 0.432 658 D N -0.471 120.009 120.400 0.132 0.000 2.120 658 D HA -0.105 4.536 4.640 0.002 0.000 0.202 658 D C 2.414 178.800 176.300 0.142 0.000 0.972 658 D CA 0.844 54.968 54.000 0.206 0.000 0.837 658 D CB -0.004 41.003 40.800 0.345 0.000 0.989 658 D HN 0.342 nan 8.370 nan 0.000 0.469 659 L N 0.874 122.141 121.223 0.073 0.000 2.129 659 L HA -0.185 4.157 4.340 0.002 0.000 0.212 659 L C 1.072 177.957 176.870 0.025 0.000 1.087 659 L CA 1.163 55.968 54.840 -0.060 0.000 0.757 659 L CB -0.099 41.867 42.059 -0.155 0.000 0.896 659 L HN -0.090 nan 8.230 nan 0.000 0.434 660 D N -1.317 119.124 120.400 0.069 0.000 2.440 660 D HA 0.027 4.668 4.640 0.002 0.000 0.216 660 D C 0.174 176.432 176.300 -0.070 0.000 1.150 660 D CA -0.058 53.926 54.000 -0.026 0.000 0.832 660 D CB -0.042 40.689 40.800 -0.115 0.000 0.992 660 D HN 0.069 nan 8.370 nan 0.000 0.502 661 N N 0.455 119.183 118.700 0.046 0.000 2.707 661 N HA -0.281 4.460 4.740 0.002 0.000 0.253 661 N C 0.334 175.856 175.510 0.020 0.000 0.998 661 N CA 0.139 53.219 53.050 0.051 0.000 0.751 661 N CB -1.434 37.068 38.487 0.024 0.000 0.920 661 N HN 0.265 nan 8.380 nan 0.000 0.539 662 Y N -0.247 120.023 120.300 -0.051 0.000 2.151 662 Y HA -0.153 4.399 4.550 0.002 0.000 0.284 662 Y C 1.849 177.709 175.900 -0.066 0.000 1.166 662 Y CA 1.793 59.850 58.100 -0.070 0.000 1.163 662 Y CB -0.018 38.379 38.460 -0.105 0.000 0.974 662 Y HN 0.342 nan 8.280 nan 0.000 0.511 663 N N -0.152 118.601 118.700 0.088 0.000 2.268 663 N HA -0.048 4.693 4.740 0.002 0.000 0.204 663 N C -0.157 175.386 175.510 0.055 0.000 1.124 663 N CA 0.227 53.306 53.050 0.048 0.000 0.838 663 N CB -0.525 37.967 38.487 0.009 0.000 0.994 663 N HN 0.300 nan 8.380 nan 0.000 0.489 664 N N 1.361 120.088 118.700 0.045 0.000 2.727 664 N HA -0.195 4.546 4.740 0.002 0.000 0.249 664 N C -1.084 174.460 175.510 0.057 0.000 1.048 664 N CA 0.948 54.018 53.050 0.033 0.000 0.714 664 N CB -0.465 38.026 38.487 0.007 0.000 0.959 664 N HN 0.411 nan 8.380 nan 0.000 0.544 665 D N -2.741 117.722 120.400 0.105 0.000 2.615 665 D HA 0.066 4.707 4.640 0.002 0.000 0.274 665 D C 0.515 176.898 176.300 0.137 0.000 1.512 665 D CA -0.080 53.987 54.000 0.111 0.000 0.803 665 D CB -0.636 40.243 40.800 0.131 0.000 1.182 665 D HN 0.073 nan 8.370 nan 0.000 0.473 666 T N 0.385 115.042 114.554 0.170 0.000 3.163 666 T HA -0.055 4.296 4.350 0.002 0.000 0.260 666 T C 1.825 176.578 174.700 0.089 0.000 1.156 666 T CA 1.706 63.909 62.100 0.171 0.000 1.072 666 T CB -0.161 68.830 68.868 0.204 0.000 0.937 666 T HN 0.460 nan 8.240 nan 0.000 0.528 667 T N -0.167 114.422 114.554 0.058 0.000 3.035 667 T HA -0.054 4.297 4.350 0.002 0.000 0.268 667 T C 1.286 175.996 174.700 0.017 0.000 1.109 667 T CA 0.678 62.798 62.100 0.034 0.000 1.119 667 T CB -0.069 68.809 68.868 0.016 0.000 0.900 667 T HN 0.231 nan 8.240 nan 0.000 0.503 668 D N 1.468 121.865 120.400 -0.005 0.000 2.349 668 D HA 0.352 4.994 4.640 0.002 0.000 0.215 668 D C 1.245 177.516 176.300 -0.048 0.000 1.016 668 D CA 0.855 54.831 54.000 -0.040 0.000 0.870 668 D CB 0.418 41.164 40.800 -0.091 0.000 0.917 668 D HN 0.689 nan 8.370 nan 0.000 0.524 669 G N 0.006 108.789 108.800 -0.029 0.000 2.354 669 G HA2 0.005 3.967 3.960 0.002 0.000 0.582 669 G HA3 0.005 3.967 3.960 0.002 0.000 0.582 669 G C -1.479 173.389 174.900 -0.054 0.000 1.316 669 G CA -1.020 44.069 45.100 -0.018 0.000 0.995 669 G HN 0.013 nan 8.290 nan 0.000 0.573 670 L N 0.346 121.565 121.223 -0.007 0.000 2.436 670 L HA 0.507 4.848 4.340 0.002 0.000 0.265 670 L C 0.674 177.489 176.870 -0.092 0.000 1.168 670 L CA -0.444 54.419 54.840 0.038 0.000 0.815 670 L CB 0.734 42.826 42.059 0.055 0.000 1.109 670 L HN 0.589 nan 8.230 nan 0.000 0.462 671 H N 3.459 122.525 119.070 -0.006 0.000 2.745 671 H HA 0.207 4.764 4.556 0.002 0.000 0.235 671 H C 1.114 176.386 175.328 -0.094 0.000 1.815 671 H CA -0.333 55.688 56.048 -0.045 0.000 1.321 671 H CB 0.057 29.790 29.762 -0.049 0.000 1.716 671 H HN 0.382 nan 8.280 nan 0.000 0.546 672 I N 0.914 121.453 120.570 -0.053 0.000 2.118 672 I HA -0.293 3.878 4.170 0.002 0.000 0.241 672 I C 2.457 178.514 176.117 -0.099 0.000 1.070 672 I CA 1.853 63.094 61.300 -0.099 0.000 1.327 672 I CB -1.272 36.642 38.000 -0.143 0.000 1.034 672 I HN 0.540 nan 8.210 nan 0.000 0.405 673 T N -2.510 111.971 114.554 -0.122 0.000 2.929 673 T HA -0.129 4.222 4.350 0.002 0.000 0.271 673 T C 1.908 176.535 174.700 -0.122 0.000 1.085 673 T CA 1.458 63.485 62.100 -0.123 0.000 1.125 673 T CB -0.498 68.262 68.868 -0.181 0.000 0.874 673 T HN 0.204 nan 8.240 nan 0.000 0.494 674 S N 0.037 115.659 115.700 -0.130 0.000 2.527 674 S HA 0.172 4.643 4.470 0.002 0.000 0.222 674 S C 1.794 176.315 174.600 -0.131 0.000 0.985 674 S CA -0.100 57.996 58.200 -0.172 0.000 0.921 674 S CB -0.521 62.591 63.200 -0.147 0.000 0.772 674 S HN 0.329 nan 8.310 nan 0.000 0.529 675 M N 1.748 121.289 119.600 -0.099 0.000 2.632 675 M HA -0.024 4.457 4.480 0.002 0.000 0.256 675 M C 1.997 178.245 176.300 -0.086 0.000 1.080 675 M CA 1.104 56.342 55.300 -0.103 0.000 1.084 675 M CB -1.929 30.587 32.600 -0.140 0.000 1.439 675 M HN 0.523 nan 8.290 nan 0.000 0.509 676 T N -2.909 111.609 114.554 -0.061 0.000 3.055 676 T HA 0.059 4.410 4.350 0.002 0.000 0.265 676 T C 1.968 176.694 174.700 0.043 0.000 1.111 676 T CA 0.985 63.086 62.100 0.001 0.000 1.118 676 T CB -0.711 68.195 68.868 0.062 0.000 0.909 676 T HN 0.410 nan 8.240 nan 0.000 0.501 677 G N 1.880 110.649 108.800 -0.052 0.000 2.491 677 G HA2 -0.091 3.870 3.960 0.002 0.000 0.218 677 G HA3 -0.091 3.870 3.960 0.002 0.000 0.218 677 G C 1.919 176.789 174.900 -0.051 0.000 1.180 677 G CA 1.036 46.079 45.100 -0.095 0.000 0.774 677 G HN 0.715 nan 8.290 nan 0.000 0.562 678 A N -0.256 122.537 122.820 -0.045 0.000 1.908 678 A HA -0.121 4.201 4.320 0.002 0.000 0.218 678 A C 2.200 179.860 177.584 0.127 0.000 1.181 678 A CA 1.768 53.828 52.037 0.038 0.000 0.627 678 A CB -0.821 18.209 19.000 0.051 0.000 0.818 678 A HN 0.591 nan 8.150 nan 0.000 0.445 679 W N 0.486 121.765 121.300 -0.036 0.000 2.358 679 W HA -0.154 4.507 4.660 0.002 0.000 0.303 679 W C 1.876 178.331 176.519 -0.107 0.000 1.208 679 W CA 1.966 59.271 57.345 -0.067 0.000 1.274 679 W CB -0.206 29.217 29.460 -0.061 0.000 1.138 679 W HN 0.314 nan 8.180 nan 0.000 0.515 680 I N 0.392 121.082 120.570 0.200 0.000 2.226 680 I HA -0.327 3.844 4.170 0.002 0.000 0.245 680 I C 2.582 178.615 176.117 -0.141 0.000 1.100 680 I CA 1.493 62.860 61.300 0.111 0.000 1.374 680 I CB -1.076 37.067 38.000 0.239 0.000 1.057 680 I HN 0.069 nan 8.210 nan 0.000 0.413 681 A N 0.309 123.014 122.820 -0.191 0.000 1.902 681 A HA -0.137 4.185 4.320 0.002 0.000 0.217 681 A C 2.427 179.519 177.584 -0.820 0.000 1.181 681 A CA 1.701 53.513 52.037 -0.376 0.000 0.623 681 A CB -0.875 17.983 19.000 -0.236 0.000 0.818 681 A HN 0.241 nan 8.150 nan 0.000 0.443 682 V N -0.661 118.781 119.914 -0.786 0.000 2.323 682 V HA -0.180 3.942 4.120 0.002 0.000 0.244 682 V C 2.532 178.184 176.094 -0.736 0.000 1.041 682 V CA 1.966 63.715 62.300 -0.918 0.000 1.025 682 V CB -0.541 30.912 31.823 -0.616 0.000 0.656 682 V HN 0.371 nan 8.190 nan 0.000 0.451 683 V N -0.630 118.736 119.914 -0.913 0.000 2.300 683 V HA -0.186 3.935 4.120 0.002 0.000 0.241 683 V C 2.332 178.189 176.094 -0.395 0.000 1.034 683 V CA 1.657 63.393 62.300 -0.939 0.000 1.021 683 V CB -0.672 30.143 31.823 -1.681 0.000 0.662 683 V HN 0.496 nan 8.190 nan 0.000 0.458 684 Q N 0.153 119.776 119.800 -0.295 0.000 2.123 684 Q HA -0.037 4.305 4.340 0.002 0.000 0.199 684 Q C 2.178 178.169 176.000 -0.015 0.000 0.966 684 Q CA 1.564 57.334 55.803 -0.056 0.000 0.845 684 Q CB -0.344 28.447 28.738 0.088 0.000 0.907 684 Q HN 0.715 nan 8.270 nan 0.000 0.439 685 G N 0.230 108.966 108.800 -0.107 0.000 2.658 685 G HA2 -0.115 3.846 3.960 0.002 0.000 0.217 685 G HA3 -0.115 3.846 3.960 0.002 0.000 0.217 685 G C 1.117 176.047 174.900 0.050 0.000 1.319 685 G CA -0.023 45.052 45.100 -0.042 0.000 0.885 685 G HN 0.235 nan 8.290 nan 0.000 0.553 686 F N 1.589 121.336 119.950 -0.339 0.000 2.091 686 F HA -0.142 4.387 4.527 0.002 0.000 0.299 686 F C 3.127 178.731 175.800 -0.327 0.000 1.103 686 F CA 0.667 58.228 58.000 -0.730 0.000 1.228 686 F CB 0.009 38.393 39.000 -1.027 0.000 0.984 686 F HN 0.266 nan 8.300 nan 0.000 0.477 687 A N -0.025 122.874 122.820 0.132 0.000 2.169 687 A HA 0.298 4.619 4.320 0.002 0.000 0.212 687 A C 1.830 179.593 177.584 0.298 0.000 1.153 687 A CA 0.778 53.008 52.037 0.321 0.000 0.756 687 A CB -0.997 18.308 19.000 0.508 0.000 0.813 687 A HN 0.545 nan 8.150 nan 0.000 0.471 688 G N -0.642 108.274 108.800 0.194 0.000 2.283 688 G HA2 -0.282 3.679 3.960 0.002 0.000 0.280 688 G HA3 -0.282 3.679 3.960 0.002 0.000 0.280 688 G C 0.224 175.220 174.900 0.161 0.000 1.029 688 G CA 0.519 45.735 45.100 0.193 0.000 0.840 688 G HN 0.519 nan 8.290 nan 0.000 0.505 689 M N 0.330 119.986 119.600 0.093 0.000 2.238 689 M HA 0.403 4.884 4.480 0.002 0.000 0.350 689 M C 0.271 176.547 176.300 -0.040 0.000 1.321 689 M CA 0.532 55.768 55.300 -0.106 0.000 1.097 689 M CB 0.099 32.640 32.600 -0.099 0.000 1.713 689 M HN 0.362 nan 8.290 nan 0.000 0.455 690 R N 3.465 123.922 120.500 -0.071 0.000 2.707 690 R HA 0.595 4.936 4.340 0.002 0.000 0.272 690 R C -1.679 174.553 176.300 -0.113 0.000 1.011 690 R CA -0.838 55.242 56.100 -0.033 0.000 0.893 690 R CB 1.669 31.969 30.300 -0.000 0.000 1.233 690 R HN 0.526 nan 8.270 nan 0.000 0.464 691 V N 2.900 122.763 119.914 -0.085 0.000 2.357 691 V HA 0.519 4.641 4.120 0.002 0.000 0.284 691 V C -0.111 175.943 176.094 -0.067 0.000 1.018 691 V CA -0.681 61.548 62.300 -0.118 0.000 0.841 691 V CB 1.428 33.212 31.823 -0.065 0.000 0.991 691 V HN 0.519 nan 8.190 nan 0.000 0.437 692 R N 2.875 123.334 120.500 -0.067 0.000 2.575 692 R HA 0.446 4.787 4.340 0.002 0.000 0.293 692 R C -0.339 175.953 176.300 -0.014 0.000 0.983 692 R CA -0.838 55.238 56.100 -0.040 0.000 0.887 692 R CB 1.529 31.786 30.300 -0.073 0.000 1.184 692 R HN 0.988 nan 8.270 nan 0.000 0.445 693 D N 1.300 121.705 120.400 0.009 0.000 2.706 693 D HA -0.232 4.409 4.640 0.002 0.000 0.230 693 D C 0.746 177.060 176.300 0.024 0.000 1.184 693 D CA 1.199 55.211 54.000 0.021 0.000 0.628 693 D CB -1.195 39.617 40.800 0.019 0.000 1.019 693 D HN 0.995 nan 8.370 nan 0.000 0.415 694 G N -0.872 107.946 108.800 0.030 0.000 2.179 694 G HA2 -0.328 3.633 3.960 0.002 0.000 0.260 694 G HA3 -0.328 3.633 3.960 0.002 0.000 0.260 694 G C 0.077 175.056 174.900 0.132 0.000 0.977 694 G CA 0.596 45.733 45.100 0.062 0.000 0.641 694 G HN 1.110 nan 8.290 nan 0.000 0.533 695 Q N -0.434 119.403 119.800 0.061 0.000 2.394 695 Q HA 0.797 5.138 4.340 0.002 0.000 0.273 695 Q C -0.245 175.646 176.000 -0.181 0.000 1.089 695 Q CA -1.265 54.547 55.803 0.015 0.000 0.812 695 Q CB 1.925 30.669 28.738 0.010 0.000 1.353 695 Q HN 0.223 nan 8.270 nan 0.000 0.438 696 L N 3.163 124.131 121.223 -0.425 0.000 2.416 696 L HA 0.261 4.603 4.340 0.002 0.000 0.272 696 L C -0.150 176.540 176.870 -0.299 0.000 1.161 696 L CA -0.101 54.385 54.840 -0.590 0.000 0.845 696 L CB 0.557 42.155 42.059 -0.768 0.000 1.119 696 L HN 0.730 nan 8.230 nan 0.000 0.464 697 H N 4.015 122.809 119.070 -0.458 0.000 2.717 697 H HA 0.418 4.976 4.556 0.002 0.000 0.366 697 H C -1.836 173.264 175.328 -0.380 0.000 1.132 697 H CA -0.472 55.409 56.048 -0.278 0.000 1.180 697 H CB 1.597 31.271 29.762 -0.147 0.000 1.678 697 H HN 0.407 nan 8.280 nan 0.000 0.537 698 Y N 1.218 121.100 120.300 -0.697 0.000 2.581 698 Y HA 0.607 5.158 4.550 0.002 0.000 0.345 698 Y C -0.355 175.247 175.900 -0.498 0.000 1.036 698 Y CA -0.617 57.259 58.100 -0.374 0.000 1.042 698 Y CB 2.426 40.925 38.460 0.064 0.000 1.289 698 Y HN 0.766 nan 8.280 nan 0.000 0.471 699 A N 2.331 125.179 122.820 0.047 0.000 3.200 699 A HA 0.530 4.852 4.320 0.002 0.000 0.274 699 A C -3.190 174.526 177.584 0.220 0.000 1.220 699 A CA -1.194 50.914 52.037 0.118 0.000 0.904 699 A CB -0.190 18.918 19.000 0.180 0.000 1.415 699 A HN 0.367 nan 8.150 nan 0.000 0.630 700 P HA 0.607 nan 4.420 nan 0.000 0.274 700 P C -0.539 176.901 177.300 0.233 0.000 1.231 700 P CA -0.105 63.117 63.100 0.204 0.000 0.790 700 P CB 0.376 32.152 31.700 0.126 0.000 0.951 701 F N 1.097 121.141 119.950 0.156 0.000 2.603 701 F HA 0.733 5.261 4.527 0.002 0.000 0.317 701 F C -1.983 173.854 175.800 0.062 0.000 1.066 701 F CA -1.789 56.251 58.000 0.066 0.000 0.941 701 F CB 0.891 39.912 39.000 0.034 0.000 1.291 701 F HN 0.100 nan 8.300 nan 0.000 0.472 702 L N 4.123 125.512 121.223 0.277 0.000 2.305 702 L HA 0.689 5.030 4.340 0.002 0.000 0.284 702 L C -2.691 174.194 176.870 0.026 0.000 1.013 702 L CA -2.320 52.581 54.840 0.103 0.000 0.819 702 L CB 1.202 43.328 42.059 0.112 0.000 1.227 702 L HN 0.439 nan 8.230 nan 0.000 0.417 703 P HA -0.003 nan 4.420 nan 0.000 0.261 703 P C -0.045 177.109 177.300 -0.243 0.000 1.173 703 P CA 0.141 62.898 63.100 -0.572 0.000 0.760 703 P CB 0.363 31.078 31.700 -1.643 0.000 0.783 704 K N 1.480 121.798 120.400 -0.137 0.000 2.211 704 K HA -0.172 4.149 4.320 0.002 0.000 0.204 704 K C 1.442 178.045 176.600 0.004 0.000 1.047 704 K CA 1.775 58.036 56.287 -0.043 0.000 0.935 704 K CB -0.720 31.755 32.500 -0.043 0.000 0.728 704 K HN 0.292 nan 8.250 nan 0.000 0.452 705 T N -0.023 114.522 114.554 -0.015 0.000 3.169 705 T HA 0.052 4.403 4.350 0.002 0.000 0.250 705 T C -0.833 174.108 174.700 0.402 0.000 1.111 705 T CA -0.398 61.786 62.100 0.141 0.000 1.010 705 T CB -0.052 68.906 68.868 0.151 0.000 0.984 705 T HN 0.293 nan 8.240 nan 0.000 0.537 706 W N 0.205 121.490 121.300 -0.025 0.000 2.706 706 W HA 0.505 5.166 4.660 0.002 0.000 0.346 706 W C 1.148 177.657 176.519 -0.016 0.000 1.071 706 W CA -1.303 56.028 57.345 -0.024 0.000 1.206 706 W CB 1.089 30.526 29.460 -0.038 0.000 1.413 706 W HN -0.183 nan 8.180 nan 0.000 0.542 707 T N 0.452 115.114 114.554 0.180 0.000 2.976 707 T HA 0.089 4.440 4.350 0.002 0.000 0.257 707 T C 0.390 175.104 174.700 0.022 0.000 1.051 707 T CA 1.329 63.478 62.100 0.082 0.000 1.141 707 T CB 0.122 69.007 68.868 0.028 0.000 0.881 707 T HN 0.423 nan 8.240 nan 0.000 0.461 708 S N 0.250 115.951 115.700 0.001 0.000 2.645 708 S HA 0.532 5.003 4.470 0.002 0.000 0.268 708 S C -2.205 172.385 174.600 -0.016 0.000 1.110 708 S CA -1.313 56.781 58.200 -0.178 0.000 0.823 708 S CB 0.879 63.696 63.200 -0.638 0.000 1.091 708 S HN 0.477 nan 8.310 nan 0.000 0.466 709 Y N -1.340 118.877 120.300 -0.140 0.000 2.482 709 Y HA 0.822 5.374 4.550 0.002 0.000 0.334 709 Y C -1.083 174.789 175.900 -0.047 0.000 1.091 709 Y CA -0.847 57.223 58.100 -0.050 0.000 1.027 709 Y CB 1.452 40.010 38.460 0.163 0.000 1.306 709 Y HN 0.763 nan 8.280 nan 0.000 0.446 710 T N 5.528 120.138 114.554 0.093 0.000 2.886 710 T HA 0.744 5.095 4.350 0.002 0.000 0.292 710 T C -1.261 173.553 174.700 0.189 0.000 1.012 710 T CA -0.623 61.468 62.100 -0.015 0.000 0.982 710 T CB 1.204 70.035 68.868 -0.062 0.000 1.018 710 T HN 0.705 nan 8.240 nan 0.000 0.451 711 F N -0.308 119.702 119.950 0.100 0.000 2.685 711 F HA 0.826 5.354 4.527 0.002 0.000 0.315 711 F C -1.037 174.879 175.800 0.194 0.000 1.126 711 F CA -1.550 56.559 58.000 0.182 0.000 0.950 711 F CB 1.471 40.584 39.000 0.188 0.000 1.360 711 F HN 0.295 nan 8.300 nan 0.000 0.469 712 R N 1.361 122.173 120.500 0.520 0.000 2.637 712 R HA 0.523 4.865 4.340 0.002 0.000 0.291 712 R C -1.455 175.206 176.300 0.602 0.000 0.963 712 R CA -0.965 55.374 56.100 0.399 0.000 0.901 712 R CB 2.331 32.812 30.300 0.302 0.000 1.160 712 R HN 0.859 nan 8.270 nan 0.000 0.457 713 Q N 1.937 122.053 119.800 0.528 0.000 2.372 713 Q HA 0.391 4.732 4.340 0.002 0.000 0.273 713 Q C -1.441 174.827 176.000 0.445 0.000 1.078 713 Q CA -0.787 55.371 55.803 0.592 0.000 0.806 713 Q CB 2.445 31.631 28.738 0.747 0.000 1.332 713 Q HN 0.380 nan 8.270 nan 0.000 0.435 714 V N 4.268 124.431 119.914 0.415 0.000 2.407 714 V HA 0.497 4.619 4.120 0.002 0.000 0.278 714 V C -0.858 175.528 176.094 0.485 0.000 1.037 714 V CA -0.293 62.212 62.300 0.342 0.000 0.900 714 V CB 0.776 32.732 31.823 0.221 0.000 0.983 714 V HN 0.673 nan 8.190 nan 0.000 0.459 715 F N 5.274 125.329 119.950 0.175 0.000 2.730 715 F HA 0.513 5.041 4.527 0.002 0.000 0.335 715 F C 0.500 176.301 175.800 0.002 0.000 1.212 715 F CA -1.019 57.015 58.000 0.058 0.000 1.016 715 F CB 1.064 40.066 39.000 0.004 0.000 1.290 715 F HN 0.573 nan 8.300 nan 0.000 0.495 716 R N 5.147 125.309 120.500 -0.564 0.000 3.158 716 R HA -0.238 4.104 4.340 0.002 0.000 0.244 716 R C -0.546 175.640 176.300 -0.190 0.000 0.900 716 R CA 1.170 56.988 56.100 -0.469 0.000 0.618 716 R CB -1.476 28.370 30.300 -0.756 0.000 1.061 716 R HN 0.870 nan 8.270 nan 0.000 0.471 717 D N -1.573 118.778 120.400 -0.082 0.000 3.076 717 D HA -0.167 4.474 4.640 0.002 0.000 0.218 717 D C -0.309 176.003 176.300 0.020 0.000 1.156 717 D CA 1.407 55.394 54.000 -0.023 0.000 0.921 717 D CB -0.232 40.545 40.800 -0.037 0.000 1.113 717 D HN 0.443 nan 8.370 nan 0.000 0.418 718 R N 0.204 120.740 120.500 0.060 0.000 2.740 718 R HA 0.698 5.039 4.340 0.002 0.000 0.282 718 R C -0.341 176.051 176.300 0.154 0.000 0.969 718 R CA -1.001 55.164 56.100 0.108 0.000 0.918 718 R CB 1.763 32.151 30.300 0.147 0.000 1.175 718 R HN 0.052 nan 8.270 nan 0.000 0.464 719 L N 3.063 124.372 121.223 0.143 0.000 2.319 719 L HA 0.552 4.893 4.340 0.002 0.000 0.281 719 L C -0.977 175.993 176.870 0.167 0.000 1.005 719 L CA -0.336 54.603 54.840 0.166 0.000 0.828 719 L CB 1.030 43.168 42.059 0.132 0.000 1.227 719 L HN 0.569 nan 8.230 nan 0.000 0.415 720 I N 3.689 124.383 120.570 0.207 0.000 2.493 720 I HA 0.459 4.630 4.170 0.002 0.000 0.298 720 I C -0.353 175.836 176.117 0.121 0.000 0.998 720 I CA -0.653 60.753 61.300 0.177 0.000 1.137 720 I CB 2.066 40.205 38.000 0.232 0.000 1.310 720 I HN 0.592 nan 8.210 nan 0.000 0.445 721 E N 5.007 125.227 120.200 0.033 0.000 2.145 721 E HA 0.512 4.863 4.350 0.002 0.000 0.270 721 E C -1.689 174.738 176.600 -0.289 0.000 0.906 721 E CA -0.606 55.739 56.400 -0.092 0.000 0.761 721 E CB 1.876 31.551 29.700 -0.042 0.000 1.116 721 E HN 0.356 nan 8.360 nan 0.000 0.408 722 V N 3.414 122.937 119.914 -0.652 0.000 2.398 722 V HA 0.360 4.481 4.120 0.002 0.000 0.286 722 V C -0.232 175.368 176.094 -0.822 0.000 1.026 722 V CA -0.592 61.123 62.300 -0.974 0.000 0.868 722 V CB 1.557 32.535 31.823 -1.408 0.000 0.982 722 V HN 0.595 nan 8.190 nan 0.000 0.443 723 S N 3.991 119.311 115.700 -0.633 0.000 2.596 723 S HA 0.662 5.134 4.470 0.002 0.000 0.318 723 S C -0.839 173.536 174.600 -0.376 0.000 1.097 723 S CA -0.434 57.537 58.200 -0.383 0.000 1.080 723 S CB 1.337 64.483 63.200 -0.091 0.000 0.991 723 S HN 0.466 nan 8.310 nan 0.000 0.471 724 V N 7.251 126.789 119.914 -0.628 0.000 2.347 724 V HA 0.516 4.638 4.120 0.002 0.000 0.280 724 V C -0.017 175.787 176.094 -0.484 0.000 1.021 724 V CA -0.524 61.408 62.300 -0.612 0.000 0.847 724 V CB 0.943 32.101 31.823 -1.108 0.000 0.990 724 V HN 0.863 nan 8.190 nan 0.000 0.444 725 H N 2.623 121.613 119.070 -0.134 0.000 2.824 725 H HA 0.494 5.051 4.556 0.002 0.000 0.345 725 H C 1.119 176.442 175.328 -0.008 0.000 1.252 725 H CA -0.277 55.754 56.048 -0.028 0.000 1.246 725 H CB 2.283 32.076 29.762 0.051 0.000 1.908 725 H HN 0.536 nan 8.280 nan 0.000 0.601 726 A N 0.466 123.380 122.820 0.155 0.000 1.972 726 A HA -0.178 4.144 4.320 0.002 0.000 0.219 726 A C 1.501 179.132 177.584 0.079 0.000 1.169 726 A CA 1.904 53.998 52.037 0.094 0.000 0.635 726 A CB -0.530 18.520 19.000 0.084 0.000 0.810 726 A HN 0.762 nan 8.150 nan 0.000 0.446 727 D N -1.440 119.023 120.400 0.105 0.000 2.336 727 D HA 0.349 4.990 4.640 0.002 0.000 0.229 727 D C 0.849 177.155 176.300 0.010 0.000 1.061 727 D CA 0.952 54.992 54.000 0.068 0.000 0.875 727 D CB -0.458 40.397 40.800 0.090 0.000 0.904 727 D HN 0.860 nan 8.370 nan 0.000 0.525 728 G N 0.813 109.602 108.800 -0.019 0.000 2.462 728 G HA2 -0.057 3.904 3.960 0.002 0.000 0.685 728 G HA3 -0.057 3.904 3.960 0.002 0.000 0.685 728 G C -3.135 171.575 174.900 -0.316 0.000 1.295 728 G CA -0.683 44.339 45.100 -0.130 0.000 0.941 728 G HN 0.103 nan 8.290 nan 0.000 0.554 729 P HA 0.395 nan 4.420 nan 0.000 0.276 729 P C -1.042 175.759 177.300 -0.831 0.000 1.244 729 P CA -0.020 62.761 63.100 -0.532 0.000 0.801 729 P CB 0.845 32.322 31.700 -0.373 0.000 1.006 730 H N 0.982 119.706 119.070 -0.577 0.000 2.782 730 H HA 0.384 4.942 4.556 0.002 0.000 0.347 730 H C -0.738 174.186 175.328 -0.673 0.000 1.038 730 H CA -0.155 55.656 56.048 -0.396 0.000 1.255 730 H CB 0.844 30.469 29.762 -0.228 0.000 1.623 730 H HN 0.294 nan 8.280 nan 0.000 0.525 731 F N 1.415 121.331 119.950 -0.057 0.000 2.522 731 F HA 0.467 4.996 4.527 0.002 0.000 0.324 731 F C 0.349 176.120 175.800 -0.049 0.000 1.077 731 F CA -0.759 57.176 58.000 -0.108 0.000 0.944 731 F CB 2.172 41.091 39.000 -0.134 0.000 1.175 731 F HN 0.189 nan 8.300 nan 0.000 0.468 732 K N 2.591 123.056 120.400 0.108 0.000 2.535 732 K HA 0.516 4.838 4.320 0.002 0.000 0.250 732 K C -1.988 174.662 176.600 0.082 0.000 0.948 732 K CA -0.895 55.436 56.287 0.073 0.000 0.796 732 K CB 1.917 34.432 32.500 0.026 0.000 1.216 732 K HN 0.634 nan 8.250 nan 0.000 0.432 733 L N 6.736 128.007 121.223 0.080 0.000 2.268 733 L HA 0.247 4.588 4.340 0.002 0.000 0.289 733 L C 0.318 177.229 176.870 0.069 0.000 1.064 733 L CA 0.142 55.031 54.840 0.082 0.000 0.824 733 L CB 0.466 42.569 42.059 0.074 0.000 1.202 733 L HN 0.840 nan 8.230 nan 0.000 0.433 734 L N 2.896 124.165 121.223 0.077 0.000 2.240 734 L HA 0.126 4.467 4.340 0.002 0.000 0.211 734 L C 0.659 177.567 176.870 0.064 0.000 1.106 734 L CA 0.675 55.557 54.840 0.069 0.000 0.793 734 L CB -0.440 41.667 42.059 0.080 0.000 0.927 734 L HN 0.825 nan 8.230 nan 0.000 0.446 735 S N -1.839 113.903 115.700 0.070 0.000 2.578 735 S HA 0.706 5.177 4.470 0.002 0.000 0.272 735 S C -0.406 174.231 174.600 0.061 0.000 1.145 735 S CA -0.281 57.954 58.200 0.058 0.000 0.835 735 S CB 1.707 64.941 63.200 0.056 0.000 1.104 735 S HN 0.419 nan 8.310 nan 0.000 0.458 736 G N 0.781 109.608 108.800 0.046 0.000 2.592 736 G HA2 0.194 4.155 3.960 0.002 0.000 0.684 736 G HA3 0.194 4.155 3.960 0.002 0.000 0.684 736 G C -1.279 173.643 174.900 0.037 0.000 1.291 736 G CA -0.695 44.430 45.100 0.041 0.000 0.891 736 G HN 0.855 nan 8.290 nan 0.000 0.544 737 E N 0.439 120.658 120.200 0.030 0.000 2.349 737 E HA 0.439 4.791 4.350 0.002 0.000 0.262 737 E C -2.018 174.603 176.600 0.035 0.000 1.088 737 E CA -1.440 54.976 56.400 0.027 0.000 0.899 737 E CB 0.194 29.904 29.700 0.016 0.000 1.044 737 E HN 0.269 nan 8.360 nan 0.000 0.420 738 P HA -0.051 nan 4.420 nan 0.000 0.263 738 P C -0.681 176.643 177.300 0.039 0.000 1.175 738 P CA 0.362 63.482 63.100 0.033 0.000 0.761 738 P CB 0.298 32.013 31.700 0.024 0.000 0.794 739 L N 3.483 124.735 121.223 0.047 0.000 2.401 739 L HA 0.523 4.865 4.340 0.002 0.000 0.266 739 L C -0.700 176.192 176.870 0.037 0.000 0.991 739 L CA -0.012 54.864 54.840 0.060 0.000 0.818 739 L CB 2.179 44.301 42.059 0.106 0.000 1.321 739 L HN 0.164 nan 8.230 nan 0.000 0.413 740 T N 6.122 120.696 114.554 0.033 0.000 2.756 740 T HA 0.616 4.968 4.350 0.002 0.000 0.290 740 T C -0.085 174.610 174.700 -0.008 0.000 0.985 740 T CA -0.174 61.929 62.100 0.004 0.000 0.955 740 T CB 0.237 69.109 68.868 0.006 0.000 0.930 740 T HN 0.582 nan 8.240 nan 0.000 0.451 741 I N -0.031 120.505 120.570 -0.056 0.000 3.023 741 I HA 0.710 4.882 4.170 0.002 0.000 0.312 741 I C -0.703 175.358 176.117 -0.093 0.000 1.056 741 I CA -1.044 60.205 61.300 -0.085 0.000 1.033 741 I CB 1.991 39.917 38.000 -0.124 0.000 1.233 741 I HN 0.323 nan 8.210 nan 0.000 0.462 742 D N 2.978 123.341 120.400 -0.062 0.000 2.256 742 D HA 0.412 5.053 4.640 0.002 0.000 0.240 742 D C -1.337 174.919 176.300 -0.073 0.000 1.062 742 D CA -0.263 53.730 54.000 -0.013 0.000 0.832 742 D CB 2.244 43.109 40.800 0.108 0.000 1.135 742 D HN 0.413 nan 8.370 nan 0.000 0.484 743 V N 3.463 123.326 119.914 -0.085 0.000 2.325 743 V HA 0.430 4.552 4.120 0.002 0.000 0.280 743 V C 0.784 176.873 176.094 -0.008 0.000 1.016 743 V CA -0.286 61.959 62.300 -0.091 0.000 0.818 743 V CB 0.638 32.382 31.823 -0.131 0.000 1.019 743 V HN 0.855 nan 8.190 nan 0.000 0.434 744 A N 3.876 126.693 122.820 -0.004 0.000 2.832 744 A HA -0.006 4.315 4.320 0.002 0.000 0.280 744 A C 1.767 179.422 177.584 0.118 0.000 1.464 744 A CA 1.456 53.554 52.037 0.102 0.000 0.804 744 A CB -1.501 17.548 19.000 0.082 0.000 1.020 744 A HN 2.501 nan 8.150 nan 0.000 0.563 745 G N -3.402 105.483 108.800 0.142 0.000 2.213 745 G HA2 0.275 4.236 3.960 0.002 0.000 0.236 745 G HA3 0.275 4.236 3.960 0.002 0.000 0.236 745 G C 0.638 175.572 174.900 0.056 0.000 0.991 745 G CA 1.055 46.215 45.100 0.101 0.000 0.629 745 G HN 2.502 nan 8.290 nan 0.000 0.517 746 A N 0.243 123.084 122.820 0.035 0.000 2.292 746 A HA 0.916 5.238 4.320 0.002 0.000 0.319 746 A C 0.505 178.081 177.584 -0.013 0.000 1.206 746 A CA 0.728 52.771 52.037 0.010 0.000 0.835 746 A CB 1.115 20.117 19.000 0.003 0.000 1.164 746 A HN 2.000 nan 8.150 nan 0.000 0.505 747 A N 1.950 124.763 122.820 -0.012 0.000 2.354 747 A HA 0.613 4.935 4.320 0.002 0.000 0.281 747 A C 0.428 177.986 177.584 -0.043 0.000 1.174 747 A CA 0.352 52.374 52.037 -0.025 0.000 0.828 747 A CB -0.122 18.872 19.000 -0.010 0.000 1.099 747 A HN 2.025 nan 8.150 nan 0.000 0.516 748 A N 2.375 125.147 122.820 -0.080 0.000 2.343 748 A HA 0.743 5.064 4.320 0.002 0.000 0.316 748 A C 0.151 177.690 177.584 -0.074 0.000 1.104 748 A CA 0.036 52.020 52.037 -0.089 0.000 0.768 748 A CB 0.998 19.902 19.000 -0.159 0.000 1.213 748 A HN 1.986 nan 8.150 nan 0.000 0.456 749 A N 1.751 124.549 122.820 -0.037 0.000 2.289 749 A HA 0.704 5.025 4.320 0.002 0.000 0.298 749 A C 0.383 177.964 177.584 -0.006 0.000 1.208 749 A CA 0.197 52.224 52.037 -0.016 0.000 0.845 749 A CB 0.318 19.316 19.000 -0.003 0.000 1.125 749 A HN 2.045 nan 8.150 nan 0.000 0.517 750 A N 1.948 124.771 122.820 0.004 0.000 2.292 750 A HA 0.804 5.125 4.320 0.002 0.000 0.319 750 A C 0.101 177.706 177.584 0.035 0.000 1.206 750 A CA 0.145 52.198 52.037 0.026 0.000 0.835 750 A CB 0.766 19.791 19.000 0.040 0.000 1.164 750 A HN 2.238 nan 8.150 nan 0.000 0.505 751 A N 1.466 124.308 122.820 0.036 0.000 2.486 751 A HA 0.789 5.110 4.320 0.002 0.000 0.300 751 A C 0.090 177.695 177.584 0.035 0.000 1.048 751 A CA -0.025 52.032 52.037 0.033 0.000 0.696 751 A CB 0.977 19.992 19.000 0.025 0.000 1.278 751 A HN 2.315 nan 8.150 nan 0.000 0.405 752 A N 1.009 123.850 122.820 0.035 0.000 2.498 752 A HA 0.570 4.891 4.320 0.002 0.000 0.239 752 A C 1.373 178.973 177.584 0.026 0.000 1.068 752 A CA 0.867 52.924 52.037 0.033 0.000 0.766 752 A CB -0.544 nan 19.000 nan 0.000 1.003 752 A HN 2.760 nan 8.150 nan 0.000 0.497 753 A N -0.061 122.774 122.820 0.025 0.000 2.847 753 A HA 0.147 4.468 4.320 0.002 0.000 0.263 753 A C 0.807 178.402 177.584 0.017 0.000 1.391 753 A CA 1.843 53.892 52.037 0.019 0.000 0.866 753 A CB -1.958 17.052 19.000 0.016 0.000 1.057 753 A HN 2.778 nan 8.150 nan 0.000 0.673 754 A N 0.000 122.833 122.820 0.021 0.000 2.254 754 A HA 0.000 4.321 4.320 0.002 0.000 0.244 754 A CA 0.000 52.049 52.037 0.020 0.000 0.836 754 A CB 0.000 19.011 19.000 0.019 0.000 0.831 754 A HN 0.000 nan 8.150 nan 0.000 0.486