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 3iuj_1_A DATA FIRST_RESID 7 DATA SEQUENCE LHYPVTRQGE QVDHYFGQAV ADPYRWLEDD RSPETEAWVK AQNAVTQDYL DATA SEQUENCE AQIPYRAAIK EKLAASWNYA KEGAPFREGR YHYFFKNDGL QNQNVLWRQQ DATA SEQUENCE EGKPAEVFLD PNTLSPDGTT ALDQLSFSRD GRILAYSLSL AGSDWREIHL DATA SEQUENCE XDVESKQPLE TPLKDVKFSG ISWLGNEGFF YSSYDKPDXX XXXXXTDQHK DATA SEQUENCE VYFHRLGTAQ EDDRLVFGAI PAQHHRYVGA TVTEDDRFLL ISAANSTSGN DATA SEQUENCE RLYVKDLSQE NAPLLTVQGD LDADVSLVDN KGSTLYLLTN RDAPNRRLVT DATA SEQUENCE VDAANPGPAH WRDLIPERQQ VLTVHSGSGY LFAEYXVDAT ARVEQFDYEG DATA SEQUENCE KRVREVALPG LGSVSGFNGK HDDPALYFGF ENYAQPPTLY RFEPKSGAIS DATA SEQUENCE LYRASAAPFK PEDYVSEQRF YQSKDGTRVP LIISYRKGLK LDGSNPTILY DATA SEQUENCE GYGGFDVSLT PSFSVSVANW LDLGGVYAVA NLRGGGEYGQ AWHLAGTQQN DATA SEQUENCE KQNVFDDFIA AAEYLKAEGY TRTDRLAIRG GSNGGLLVGA VXTQRPDLXR DATA SEQUENCE VALPAVGVLD XLRYHTFTAG TGWAYDYGTS ADSEAXFDYL KGYSPLHNVR DATA SEQUENCE PGVSYPSTXV TTADHDDRVV PAHSFKFAAT LQADNAGPHP QLIRIETXXX DATA SEQUENCE XXXXTPVAKL IEQSADIYAF TLYEXGYREL PRQP 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.370 176.870 -0.834 0.000 1.165 7 L CA 0.000 54.636 54.840 -0.340 0.000 0.813 7 L CB 0.000 41.941 42.059 -0.196 0.000 0.961 8 H N 0.032 118.958 119.070 -0.240 0.000 3.013 8 H HA 0.602 5.160 4.556 0.004 0.000 0.326 8 H C -1.409 173.806 175.328 -0.188 0.000 0.973 8 H CA -0.255 55.654 56.048 -0.232 0.000 1.369 8 H CB 1.295 31.002 29.762 -0.092 0.000 1.598 8 H HN 0.417 nan 8.280 nan 0.000 0.518 9 Y N 2.140 122.465 120.300 0.043 0.000 2.379 9 Y HA 0.210 4.763 4.550 0.004 0.000 0.337 9 Y C -1.702 174.204 175.900 0.009 0.000 1.238 9 Y CA -2.275 55.819 58.100 -0.010 0.000 1.405 9 Y CB -0.185 38.262 38.460 -0.022 0.000 1.310 9 Y HN 0.523 nan 8.280 nan 0.000 0.569 10 P HA 0.087 nan 4.420 nan 0.000 0.272 10 P C -0.845 176.547 177.300 0.153 0.000 1.230 10 P CA -0.403 62.736 63.100 0.064 0.000 0.788 10 P CB 0.530 32.169 31.700 -0.101 0.000 0.949 11 V N 2.185 122.199 119.914 0.167 0.000 2.637 11 V HA 0.115 4.237 4.120 0.004 0.000 0.296 11 V C 0.463 176.754 176.094 0.329 0.000 1.046 11 V CA 0.682 63.108 62.300 0.210 0.000 1.066 11 V CB 0.508 32.426 31.823 0.159 0.000 0.968 11 V HN 0.557 nan 8.190 nan 0.000 0.483 12 T N 6.278 121.050 114.554 0.363 0.000 2.809 12 T HA 0.324 4.677 4.350 0.004 0.000 0.296 12 T C 0.094 175.097 174.700 0.506 0.000 1.015 12 T CA -0.480 61.925 62.100 0.507 0.000 0.954 12 T CB 0.486 69.572 68.868 0.364 0.000 0.950 12 T HN 0.709 nan 8.240 nan 0.000 0.450 13 R N 3.001 123.782 120.500 0.467 0.000 2.640 13 R HA 0.070 4.412 4.340 0.004 0.000 0.270 13 R C -0.391 176.192 176.300 0.471 0.000 1.024 13 R CA 0.347 56.609 56.100 0.271 0.000 1.085 13 R CB 0.415 30.636 30.300 -0.131 0.000 0.963 13 R HN 0.584 nan 8.270 nan 0.000 0.426 14 Q N 1.898 121.836 119.800 0.231 0.000 2.307 14 Q HA 0.388 4.730 4.340 0.004 0.000 0.262 14 Q C -0.111 175.919 176.000 0.050 0.000 0.961 14 Q CA -0.653 55.207 55.803 0.095 0.000 0.882 14 Q CB 2.308 31.044 28.738 -0.003 0.000 1.264 14 Q HN 0.852 nan 8.270 nan 0.000 0.446 15 G N 1.000 109.835 108.800 0.058 0.000 2.642 15 G HA2 0.247 4.209 3.960 0.004 0.000 0.291 15 G HA3 0.247 4.209 3.960 0.004 0.000 0.291 15 G C -0.214 174.685 174.900 -0.002 0.000 1.345 15 G CA -0.462 44.664 45.100 0.044 0.000 1.043 15 G HN 0.668 nan 8.290 nan 0.000 0.528 16 E N -0.774 119.429 120.200 0.005 0.000 2.558 16 E HA 0.083 4.436 4.350 0.004 0.000 0.205 16 E C 0.121 176.720 176.600 -0.001 0.000 1.006 16 E CA -0.291 56.106 56.400 -0.005 0.000 0.961 16 E CB 0.798 30.497 29.700 -0.001 0.000 1.044 16 E HN 0.362 nan 8.360 nan 0.000 0.465 17 Q N 1.324 121.127 119.800 0.004 0.000 2.300 17 Q HA 0.072 4.414 4.340 0.004 0.000 0.280 17 Q C -0.992 174.999 176.000 -0.015 0.000 1.033 17 Q CA 0.422 56.226 55.803 0.003 0.000 0.903 17 Q CB 0.700 29.449 28.738 0.017 0.000 1.195 17 Q HN -0.075 nan 8.270 nan 0.000 0.386 18 V N 4.997 124.893 119.914 -0.029 0.000 2.577 18 V HA 0.419 4.541 4.120 0.004 0.000 0.303 18 V C -0.822 175.179 176.094 -0.154 0.000 1.042 18 V CA -0.931 61.315 62.300 -0.089 0.000 0.872 18 V CB 2.187 33.957 31.823 -0.088 0.000 0.998 18 V HN 0.846 nan 8.190 nan 0.000 0.423 19 D N 1.707 121.967 120.400 -0.233 0.000 2.272 19 D HA 0.599 5.242 4.640 0.004 0.000 0.247 19 D C -0.951 174.967 176.300 -0.636 0.000 0.990 19 D CA -0.359 53.438 54.000 -0.339 0.000 0.931 19 D CB 2.028 42.663 40.800 -0.276 0.000 1.195 19 D HN 0.619 nan 8.370 nan 0.000 0.477 20 H N -0.340 118.399 119.070 -0.552 0.000 2.600 20 H HA 0.407 4.965 4.556 0.004 0.000 0.357 20 H C -1.072 173.770 175.328 -0.810 0.000 1.106 20 H CA -0.467 55.297 56.048 -0.473 0.000 1.193 20 H CB 1.172 30.763 29.762 -0.286 0.000 1.594 20 H HN 0.229 nan 8.280 nan 0.000 0.526 21 Y N 1.933 122.024 120.300 -0.348 0.000 2.329 21 Y HA 0.246 4.798 4.550 0.004 0.000 0.328 21 Y C -0.516 175.036 175.900 -0.580 0.000 0.992 21 Y CA -1.350 56.330 58.100 -0.701 0.000 1.151 21 Y CB 0.627 38.315 38.460 -1.286 0.000 1.150 21 Y HN 0.646 nan 8.280 nan 0.000 0.450 22 F N 1.830 121.656 119.950 -0.206 0.000 3.004 22 F HA -0.224 4.305 4.527 0.004 0.000 0.264 22 F C 1.443 177.206 175.800 -0.063 0.000 0.979 22 F CA 1.374 59.305 58.000 -0.114 0.000 0.896 22 F CB -1.446 37.504 39.000 -0.085 0.000 0.813 22 F HN 0.933 nan 8.300 nan 0.000 0.804 23 G N -0.784 108.029 108.800 0.023 0.000 2.179 23 G HA2 -0.320 3.642 3.960 0.004 0.000 0.260 23 G HA3 -0.320 3.642 3.960 0.004 0.000 0.260 23 G C 0.174 175.146 174.900 0.121 0.000 0.977 23 G CA 0.295 45.434 45.100 0.066 0.000 0.641 23 G HN 0.577 nan 8.290 nan 0.000 0.533 24 Q N 0.238 120.103 119.800 0.108 0.000 2.271 24 Q HA 0.680 5.023 4.340 0.004 0.000 0.258 24 Q C 0.202 176.262 176.000 0.100 0.000 0.936 24 Q CA 0.003 55.900 55.803 0.157 0.000 0.909 24 Q CB 1.886 30.791 28.738 0.278 0.000 1.253 24 Q HN 0.634 nan 8.270 nan 0.000 0.440 25 A N 2.438 125.292 122.820 0.057 0.000 2.331 25 A HA 0.567 4.889 4.320 0.004 0.000 0.283 25 A C -0.560 176.993 177.584 -0.052 0.000 1.142 25 A CA -0.419 51.494 52.037 -0.206 0.000 0.812 25 A CB 0.683 19.597 19.000 -0.144 0.000 1.074 25 A HN 0.505 nan 8.150 nan 0.000 0.497 26 V N 2.234 122.099 119.914 -0.081 0.000 2.525 26 V HA 0.574 4.696 4.120 0.004 0.000 0.299 26 V C 0.521 176.640 176.094 0.042 0.000 1.034 26 V CA -0.442 61.910 62.300 0.087 0.000 0.863 26 V CB 1.287 33.269 31.823 0.265 0.000 0.999 26 V HN 1.207 nan 8.190 nan 0.000 0.423 27 A N 2.970 125.823 122.820 0.055 0.000 2.388 27 A HA 0.640 4.962 4.320 0.004 0.000 0.257 27 A C -0.141 177.475 177.584 0.054 0.000 1.095 27 A CA -0.040 52.011 52.037 0.024 0.000 0.791 27 A CB 0.398 19.401 19.000 0.005 0.000 1.029 27 A HN 0.851 nan 8.150 nan 0.000 0.489 28 D N 1.780 122.186 120.400 0.011 0.000 2.552 28 D HA 0.320 4.962 4.640 0.004 0.000 0.285 28 D C -1.756 174.490 176.300 -0.091 0.000 1.206 28 D CA -1.160 52.842 54.000 0.005 0.000 0.826 28 D CB 0.943 41.783 40.800 0.067 0.000 1.179 28 D HN 0.212 nan 8.370 nan 0.000 0.508 29 P HA -0.140 nan 4.420 nan 0.000 0.221 29 P C 0.260 177.288 177.300 -0.453 0.000 1.145 29 P CA 0.818 63.677 63.100 -0.401 0.000 0.795 29 P CB 0.081 31.405 31.700 -0.627 0.000 0.775 30 Y N -0.871 119.397 120.300 -0.054 0.000 2.658 30 Y HA 0.302 4.854 4.550 0.004 0.000 0.276 30 Y C 2.208 177.880 175.900 -0.381 0.000 1.167 30 Y CA -0.821 57.091 58.100 -0.313 0.000 1.230 30 Y CB -0.579 37.648 38.460 -0.388 0.000 1.144 30 Y HN -0.209 nan 8.280 nan 0.000 0.529 31 R N 1.570 122.044 120.500 -0.043 0.000 2.117 31 R HA -0.191 4.152 4.340 0.004 0.000 0.243 31 R C 1.930 178.238 176.300 0.012 0.000 1.143 31 R CA 2.328 58.432 56.100 0.006 0.000 0.968 31 R CB -0.850 29.487 30.300 0.063 0.000 0.863 31 R HN 0.626 nan 8.270 nan 0.000 0.444 32 W N -0.146 121.162 121.300 0.013 0.000 2.421 32 W HA -0.095 4.567 4.660 0.004 0.000 0.270 32 W C 0.940 177.454 176.519 -0.009 0.000 1.233 32 W CA 0.340 57.687 57.345 0.003 0.000 1.226 32 W CB -0.812 28.642 29.460 -0.009 0.000 1.121 32 W HN 0.092 nan 8.180 nan 0.000 0.579 33 L N 1.176 121.939 121.223 -0.767 0.000 2.551 33 L HA -0.056 4.286 4.340 0.004 0.000 0.228 33 L C 2.371 179.123 176.870 -0.196 0.000 1.153 33 L CA 0.883 55.293 54.840 -0.717 0.000 0.851 33 L CB -0.446 40.944 42.059 -1.115 0.000 0.959 33 L HN -0.010 nan 8.230 nan 0.000 0.451 34 E N -0.400 119.740 120.200 -0.101 0.000 2.268 34 E HA -0.173 4.179 4.350 0.004 0.000 0.195 34 E C 0.432 177.060 176.600 0.045 0.000 0.995 34 E CA 0.438 56.831 56.400 -0.012 0.000 0.836 34 E CB 0.041 29.809 29.700 0.114 0.000 0.763 34 E HN 0.261 nan 8.360 nan 0.000 0.491 35 D N 1.507 121.962 120.400 0.093 0.000 2.468 35 D HA -0.043 4.599 4.640 0.004 0.000 0.218 35 D C 0.453 176.860 176.300 0.178 0.000 1.155 35 D CA -0.209 53.870 54.000 0.133 0.000 0.924 35 D CB 0.311 41.200 40.800 0.149 0.000 1.029 35 D HN 0.087 nan 8.370 nan 0.000 0.515 36 D N 2.500 123.015 120.400 0.192 0.000 2.371 36 D HA -0.131 4.512 4.640 0.004 0.000 0.221 36 D C 0.797 177.324 176.300 0.379 0.000 0.986 36 D CA 0.178 54.372 54.000 0.324 0.000 0.899 36 D CB 0.248 41.205 40.800 0.261 0.000 0.902 36 D HN 0.382 nan 8.370 nan 0.000 0.530 37 R N 0.733 121.399 120.500 0.277 0.000 2.397 37 R HA 0.100 4.442 4.340 0.004 0.000 0.241 37 R C 0.762 177.168 176.300 0.177 0.000 0.914 37 R CA -0.150 56.089 56.100 0.231 0.000 1.071 37 R CB 0.704 31.067 30.300 0.105 0.000 1.116 37 R HN 0.120 nan 8.270 nan 0.000 0.524 38 S N 0.548 116.359 115.700 0.185 0.000 2.592 38 S HA 0.208 4.680 4.470 0.004 0.000 0.271 38 S C -1.889 172.805 174.600 0.158 0.000 1.326 38 S CA -1.224 57.071 58.200 0.158 0.000 1.024 38 S CB 1.461 64.767 63.200 0.177 0.000 0.921 38 S HN -0.219 nan 8.310 nan 0.000 0.527 39 P HA -0.072 nan 4.420 nan 0.000 0.217 39 P C 1.376 178.751 177.300 0.125 0.000 1.150 39 P CA 1.058 64.222 63.100 0.106 0.000 0.832 39 P CB 0.084 31.825 31.700 0.069 0.000 0.787 40 E N -0.933 119.344 120.200 0.129 0.000 2.072 40 E HA -0.135 4.217 4.350 0.004 0.000 0.191 40 E C 1.512 178.308 176.600 0.328 0.000 0.985 40 E CA 1.508 57.994 56.400 0.144 0.000 0.801 40 E CB -0.300 29.401 29.700 0.003 0.000 0.750 40 E HN 0.117 nan 8.360 nan 0.000 0.452 41 T N 0.843 115.618 114.554 0.369 0.000 2.777 41 T HA -0.101 4.251 4.350 0.004 0.000 0.266 41 T C 1.458 176.299 174.700 0.235 0.000 1.040 41 T CA 1.238 63.526 62.100 0.315 0.000 1.141 41 T CB -0.152 68.843 68.868 0.212 0.000 0.868 41 T HN 0.264 nan 8.240 nan 0.000 0.444 42 E N 1.146 121.470 120.200 0.207 0.000 2.204 42 E HA -0.035 4.317 4.350 0.004 0.000 0.195 42 E C 2.457 179.140 176.600 0.137 0.000 0.990 42 E CA 0.866 57.362 56.400 0.160 0.000 0.821 42 E CB -0.152 29.647 29.700 0.165 0.000 0.750 42 E HN 0.477 nan 8.360 nan 0.000 0.477 43 A N 0.727 123.645 122.820 0.164 0.000 1.929 43 A HA -0.151 4.171 4.320 0.004 0.000 0.216 43 A C 1.819 179.500 177.584 0.161 0.000 1.176 43 A CA 0.807 52.924 52.037 0.133 0.000 0.628 43 A CB -0.818 18.255 19.000 0.121 0.000 0.816 43 A HN 0.497 nan 8.150 nan 0.000 0.444 44 W N 0.493 121.807 121.300 0.023 0.000 2.388 44 W HA -0.144 4.518 4.660 0.004 0.000 0.294 44 W C 1.831 178.270 176.519 -0.134 0.000 1.212 44 W CA 1.968 59.307 57.345 -0.010 0.000 1.271 44 W CB -0.145 29.350 29.460 0.058 0.000 1.126 44 W HN 0.092 nan 8.180 nan 0.000 0.535 45 V N 1.416 121.380 119.914 0.084 0.000 2.295 45 V HA -0.349 3.773 4.120 0.004 0.000 0.246 45 V C 2.483 178.467 176.094 -0.184 0.000 1.049 45 V CA 2.448 64.654 62.300 -0.157 0.000 1.024 45 V CB -1.020 30.755 31.823 -0.080 0.000 0.648 45 V HN 0.226 nan 8.190 nan 0.000 0.447 46 K N 0.140 120.491 120.400 -0.082 0.000 2.057 46 K HA -0.169 4.153 4.320 0.004 0.000 0.207 46 K C 2.149 178.678 176.600 -0.118 0.000 1.049 46 K CA 1.581 57.824 56.287 -0.073 0.000 0.931 46 K CB -0.308 32.181 32.500 -0.018 0.000 0.714 46 K HN 0.426 nan 8.250 nan 0.000 0.440 47 A N 0.936 123.669 122.820 -0.147 0.000 1.930 47 A HA -0.151 4.171 4.320 0.004 0.000 0.217 47 A C 2.072 179.500 177.584 -0.259 0.000 1.175 47 A CA 1.116 53.053 52.037 -0.166 0.000 0.627 47 A CB -0.395 18.524 19.000 -0.136 0.000 0.815 47 A HN 0.353 nan 8.150 nan 0.000 0.443 48 Q N 0.087 119.609 119.800 -0.462 0.000 2.050 48 Q HA -0.141 4.201 4.340 0.004 0.000 0.202 48 Q C 1.781 177.607 176.000 -0.290 0.000 0.980 48 Q CA 1.406 56.901 55.803 -0.513 0.000 0.840 48 Q CB -0.541 27.646 28.738 -0.919 0.000 0.898 48 Q HN 0.626 nan 8.270 nan 0.000 0.424 49 N N 0.773 119.329 118.700 -0.239 0.000 2.166 49 N HA -0.116 4.626 4.740 0.004 0.000 0.186 49 N C 1.640 177.091 175.510 -0.099 0.000 1.019 49 N CA 1.315 54.278 53.050 -0.144 0.000 0.856 49 N CB -0.219 38.203 38.487 -0.108 0.000 0.993 49 N HN 0.247 nan 8.380 nan 0.000 0.426 50 A N 0.522 123.285 122.820 -0.095 0.000 1.902 50 A HA -0.081 4.242 4.320 0.004 0.000 0.217 50 A C 2.526 180.087 177.584 -0.038 0.000 1.181 50 A CA 1.303 53.306 52.037 -0.057 0.000 0.623 50 A CB -0.750 18.219 19.000 -0.051 0.000 0.818 50 A HN 0.109 nan 8.150 nan 0.000 0.443 51 V N -0.440 119.443 119.914 -0.052 0.000 2.358 51 V HA -0.210 3.912 4.120 0.004 0.000 0.246 51 V C 2.758 178.863 176.094 0.018 0.000 1.047 51 V CA 2.447 64.740 62.300 -0.011 0.000 1.035 51 V CB -1.160 30.653 31.823 -0.017 0.000 0.658 51 V HN 0.605 nan 8.190 nan 0.000 0.452 52 T N -0.797 113.740 114.554 -0.029 0.000 2.684 52 T HA -0.233 4.119 4.350 0.004 0.000 0.267 52 T C 1.998 176.722 174.700 0.039 0.000 1.036 52 T CA 1.418 63.511 62.100 -0.013 0.000 1.148 52 T CB -0.271 68.544 68.868 -0.088 0.000 0.863 52 T HN 0.360 nan 8.240 nan 0.000 0.436 53 Q N 0.763 120.564 119.800 0.001 0.000 2.124 53 Q HA -0.118 4.225 4.340 0.004 0.000 0.202 53 Q C 2.138 178.147 176.000 0.014 0.000 0.977 53 Q CA 1.549 57.353 55.803 0.002 0.000 0.850 53 Q CB -0.684 28.043 28.738 -0.019 0.000 0.901 53 Q HN 0.631 nan 8.270 nan 0.000 0.429 54 D N -0.728 119.688 120.400 0.025 0.000 2.144 54 D HA -0.193 4.449 4.640 0.004 0.000 0.199 54 D C 1.771 178.091 176.300 0.033 0.000 0.984 54 D CA 0.774 54.786 54.000 0.020 0.000 0.834 54 D CB -0.107 40.710 40.800 0.029 0.000 0.955 54 D HN 0.238 nan 8.370 nan 0.000 0.465 55 Y N 0.546 120.830 120.300 -0.028 0.000 2.163 55 Y HA -0.024 4.528 4.550 0.004 0.000 0.288 55 Y C 1.913 177.777 175.900 -0.061 0.000 1.136 55 Y CA 1.376 59.468 58.100 -0.014 0.000 1.147 55 Y CB -0.145 38.346 38.460 0.052 0.000 0.987 55 Y HN 0.010 nan 8.280 nan 0.000 0.509 56 L N -0.517 120.759 121.223 0.087 0.000 2.201 56 L HA -0.162 4.181 4.340 0.004 0.000 0.212 56 L C 2.602 179.381 176.870 -0.152 0.000 1.105 56 L CA 0.914 55.745 54.840 -0.015 0.000 0.775 56 L CB -0.822 41.269 42.059 0.054 0.000 0.913 56 L HN 0.286 nan 8.230 nan 0.000 0.440 57 A N 0.318 123.065 122.820 -0.123 0.000 2.121 57 A HA -0.205 4.117 4.320 0.004 0.000 0.218 57 A C 2.203 179.667 177.584 -0.200 0.000 1.154 57 A CA 1.357 53.316 52.037 -0.130 0.000 0.679 57 A CB -0.449 18.503 19.000 -0.080 0.000 0.795 57 A HN 0.660 nan 8.150 nan 0.000 0.458 58 Q N -0.404 119.210 119.800 -0.310 0.000 2.403 58 Q HA 0.207 4.549 4.340 0.004 0.000 0.203 58 Q C -0.039 175.663 176.000 -0.496 0.000 0.932 58 Q CA 0.011 55.602 55.803 -0.352 0.000 0.945 58 Q CB -0.279 28.232 28.738 -0.379 0.000 1.045 58 Q HN 0.590 nan 8.270 nan 0.000 0.511 59 I N 4.301 124.499 120.570 -0.619 0.000 2.363 59 I HA 0.090 4.262 4.170 0.004 0.000 0.292 59 I C -1.372 174.435 176.117 -0.515 0.000 1.075 59 I CA -2.000 58.838 61.300 -0.769 0.000 1.333 59 I CB 1.065 38.621 38.000 -0.741 0.000 1.415 59 I HN 0.054 nan 8.210 nan 0.000 0.502 60 P HA -0.215 nan 4.420 nan 0.000 0.217 60 P C 0.816 178.049 177.300 -0.112 0.000 1.148 60 P CA 1.813 64.787 63.100 -0.211 0.000 0.828 60 P CB -0.078 31.578 31.700 -0.073 0.000 0.783 61 Y N -1.878 118.454 120.300 0.052 0.000 2.468 61 Y HA 0.459 5.011 4.550 0.004 0.000 0.268 61 Y C 2.431 178.372 175.900 0.067 0.000 1.177 61 Y CA -1.042 57.095 58.100 0.062 0.000 1.265 61 Y CB -1.246 37.262 38.460 0.079 0.000 1.103 61 Y HN -0.239 nan 8.280 nan 0.000 0.522 62 R N 1.474 122.006 120.500 0.053 0.000 2.091 62 R HA -0.168 4.174 4.340 0.004 0.000 0.238 62 R C 2.216 178.585 176.300 0.116 0.000 1.136 62 R CA 1.607 57.772 56.100 0.110 0.000 0.959 62 R CB -0.394 29.910 30.300 0.006 0.000 0.856 62 R HN 0.459 nan 8.270 nan 0.000 0.437 63 A N 0.469 123.334 122.820 0.074 0.000 1.969 63 A HA -0.037 4.285 4.320 0.004 0.000 0.218 63 A C 2.321 179.961 177.584 0.093 0.000 1.169 63 A CA 1.467 53.544 52.037 0.066 0.000 0.635 63 A CB -0.641 18.383 19.000 0.039 0.000 0.810 63 A HN 0.550 nan 8.150 nan 0.000 0.445 64 A N 0.027 122.921 122.820 0.124 0.000 1.898 64 A HA -0.055 4.267 4.320 0.004 0.000 0.216 64 A C 2.101 179.767 177.584 0.138 0.000 1.181 64 A CA 1.454 53.565 52.037 0.123 0.000 0.620 64 A CB -0.555 18.529 19.000 0.139 0.000 0.819 64 A HN 0.484 nan 8.150 nan 0.000 0.442 65 I N -0.544 120.136 120.570 0.182 0.000 2.226 65 I HA -0.260 3.912 4.170 0.004 0.000 0.245 65 I C 2.555 178.785 176.117 0.188 0.000 1.100 65 I CA 1.839 63.263 61.300 0.206 0.000 1.374 65 I CB -0.223 37.947 38.000 0.283 0.000 1.057 65 I HN 0.391 nan 8.210 nan 0.000 0.413 66 K N 1.232 121.720 120.400 0.147 0.000 2.057 66 K HA -0.221 4.101 4.320 0.004 0.000 0.207 66 K C 1.931 178.586 176.600 0.092 0.000 1.049 66 K CA 1.653 58.001 56.287 0.102 0.000 0.931 66 K CB 0.004 32.538 32.500 0.057 0.000 0.714 66 K HN 0.314 nan 8.250 nan 0.000 0.440 67 E N 0.388 120.642 120.200 0.090 0.000 2.072 67 E HA -0.203 4.149 4.350 0.004 0.000 0.191 67 E C 2.005 178.670 176.600 0.109 0.000 0.985 67 E CA 1.231 57.680 56.400 0.082 0.000 0.801 67 E CB 0.047 29.788 29.700 0.069 0.000 0.750 67 E HN 0.246 nan 8.360 nan 0.000 0.452 68 K N 0.938 121.415 120.400 0.129 0.000 2.026 68 K HA -0.159 4.163 4.320 0.004 0.000 0.208 68 K C 2.082 178.811 176.600 0.215 0.000 1.048 68 K CA 1.017 57.394 56.287 0.149 0.000 0.929 68 K CB -0.066 32.522 32.500 0.147 0.000 0.713 68 K HN 0.039 nan 8.250 nan 0.000 0.439 69 L N 0.386 121.763 121.223 0.258 0.000 2.017 69 L HA -0.172 4.170 4.340 0.004 0.000 0.208 69 L C 2.597 179.691 176.870 0.374 0.000 1.073 69 L CA 1.363 56.431 54.840 0.380 0.000 0.745 69 L CB -0.525 41.752 42.059 0.365 0.000 0.894 69 L HN 0.319 nan 8.230 nan 0.000 0.432 70 A N -0.191 122.746 122.820 0.194 0.000 1.940 70 A HA -0.188 4.135 4.320 0.004 0.000 0.219 70 A C 2.411 180.112 177.584 0.195 0.000 1.176 70 A CA 1.794 53.910 52.037 0.132 0.000 0.631 70 A CB -0.701 18.325 19.000 0.043 0.000 0.814 70 A HN 0.425 nan 8.150 nan 0.000 0.446 71 A N -0.290 122.635 122.820 0.175 0.000 2.119 71 A HA 0.110 4.432 4.320 0.004 0.000 0.216 71 A C 2.116 179.807 177.584 0.177 0.000 1.152 71 A CA 1.734 53.859 52.037 0.146 0.000 0.708 71 A CB -0.453 18.604 19.000 0.095 0.000 0.805 71 A HN 1.003 nan 8.150 nan 0.000 0.460 72 S N -3.031 112.826 115.700 0.261 0.000 2.559 72 S HA 0.021 4.493 4.470 0.004 0.000 0.226 72 S C 1.364 176.251 174.600 0.478 0.000 1.000 72 S CA -0.245 58.117 58.200 0.270 0.000 0.948 72 S CB -0.436 62.904 63.200 0.234 0.000 0.870 72 S HN 0.654 nan 8.310 nan 0.000 0.497 73 W N 3.044 124.499 121.300 0.258 0.000 2.453 73 W HA 0.224 4.886 4.660 0.003 0.000 0.289 73 W C -0.830 175.797 176.519 0.180 0.000 1.215 73 W CA 0.503 57.991 57.345 0.240 0.000 1.297 73 W CB -0.177 29.365 29.460 0.137 0.000 1.113 73 W HN 0.348 nan 8.180 nan 0.000 0.551 74 N N -0.131 118.800 118.700 0.385 0.000 2.372 74 N HA 0.320 5.063 4.740 0.004 0.000 0.291 74 N C -1.396 174.222 175.510 0.179 0.000 1.024 74 N CA -0.398 52.740 53.050 0.146 0.000 0.873 74 N CB 1.502 40.089 38.487 0.166 0.000 1.206 74 N HN -0.100 nan 8.380 nan 0.000 0.486 75 Y N -1.115 119.244 120.300 0.097 0.000 2.624 75 Y HA 0.745 5.297 4.550 0.004 0.000 0.334 75 Y C -0.836 175.093 175.900 0.049 0.000 1.155 75 Y CA -1.895 56.242 58.100 0.062 0.000 1.046 75 Y CB 0.432 38.923 38.460 0.051 0.000 1.316 75 Y HN 0.497 nan 8.280 nan 0.000 0.457 76 A N 2.272 125.210 122.820 0.197 0.000 2.483 76 A HA 0.579 4.901 4.320 0.004 0.000 0.238 76 A C -0.425 177.244 177.584 0.142 0.000 1.070 76 A CA -0.320 51.784 52.037 0.110 0.000 0.770 76 A CB 0.124 19.165 19.000 0.067 0.000 1.008 76 A HN 0.712 nan 8.150 nan 0.000 0.497 77 K N 0.335 120.783 120.400 0.080 0.000 2.443 77 K HA 0.643 4.965 4.320 0.004 0.000 0.251 77 K C -1.007 175.635 176.600 0.070 0.000 0.972 77 K CA -0.600 55.737 56.287 0.085 0.000 0.833 77 K CB 2.567 35.107 32.500 0.067 0.000 1.317 77 K HN 0.807 nan 8.250 nan 0.000 0.441 78 E N 0.205 120.445 120.200 0.066 0.000 2.343 78 E HA 0.419 4.771 4.350 0.004 0.000 0.278 78 E C -1.204 175.465 176.600 0.115 0.000 0.910 78 E CA -0.721 55.727 56.400 0.081 0.000 0.757 78 E CB 1.902 31.585 29.700 -0.028 0.000 1.218 78 E HN 0.747 nan 8.360 nan 0.000 0.435 79 G N 1.193 110.122 108.800 0.215 0.000 2.491 79 G HA2 0.636 4.598 3.960 0.004 0.000 0.327 79 G HA3 0.636 4.598 3.960 0.004 0.000 0.327 79 G C -0.535 174.468 174.900 0.171 0.000 1.189 79 G CA -0.219 45.015 45.100 0.224 0.000 0.956 79 G HN 0.576 nan 8.290 nan 0.000 0.491 80 A N 0.995 123.875 122.820 0.100 0.000 2.445 80 A HA 0.582 4.904 4.320 0.004 0.000 0.242 80 A C -1.733 175.847 177.584 -0.007 0.000 1.075 80 A CA -0.768 51.183 52.037 -0.144 0.000 0.777 80 A CB 0.041 18.947 19.000 -0.157 0.000 1.013 80 A HN 0.522 nan 8.150 nan 0.000 0.493 81 P HA 0.533 nan 4.420 nan 0.000 0.281 81 P C -1.145 176.272 177.300 0.195 0.000 1.249 81 P CA 0.013 63.124 63.100 0.019 0.000 0.810 81 P CB 0.764 32.408 31.700 -0.092 0.000 1.008 82 F N -1.122 118.905 119.950 0.129 0.000 2.591 82 F HA 0.633 5.162 4.527 0.003 0.000 0.309 82 F C -0.339 175.446 175.800 -0.025 0.000 1.098 82 F CA -1.512 56.530 58.000 0.071 0.000 0.937 82 F CB 1.769 40.807 39.000 0.063 0.000 1.250 82 F HN 0.142 nan 8.300 nan 0.000 0.447 83 R N 2.162 122.640 120.500 -0.036 0.000 2.297 83 R HA 0.459 4.801 4.340 0.004 0.000 0.308 83 R C -1.250 174.941 176.300 -0.181 0.000 1.029 83 R CA -0.317 55.604 56.100 -0.298 0.000 0.929 83 R CB 0.986 31.058 30.300 -0.381 0.000 1.046 83 R HN 0.811 nan 8.270 nan 0.000 0.461 84 E N 3.208 123.262 120.200 -0.244 0.000 2.302 84 E HA 0.249 4.602 4.350 0.004 0.000 0.263 84 E C 0.129 176.626 176.600 -0.172 0.000 0.897 84 E CA -0.022 56.166 56.400 -0.352 0.000 0.809 84 E CB 1.777 30.827 29.700 -1.083 0.000 1.270 84 E HN 0.965 nan 8.360 nan 0.000 0.410 85 G N 4.089 112.818 108.800 -0.119 0.000 2.550 85 G HA2 -0.400 3.562 3.960 0.004 0.000 0.277 85 G HA3 -0.400 3.562 3.960 0.004 0.000 0.277 85 G C 0.504 175.342 174.900 -0.103 0.000 1.190 85 G CA 0.529 45.591 45.100 -0.063 0.000 0.971 85 G HN 0.608 nan 8.290 nan 0.000 0.559 86 R N -0.378 120.033 120.500 -0.149 0.000 2.356 86 R HA 0.496 4.838 4.340 0.004 0.000 0.234 86 R C 0.001 176.064 176.300 -0.395 0.000 0.929 86 R CA 0.068 55.999 56.100 -0.282 0.000 1.084 86 R CB 0.037 30.120 30.300 -0.362 0.000 1.105 86 R HN 0.444 nan 8.270 nan 0.000 0.515 87 Y N -0.419 119.770 120.300 -0.185 0.000 2.562 87 Y HA 0.397 4.949 4.550 0.003 0.000 0.343 87 Y C -0.277 175.369 175.900 -0.423 0.000 1.025 87 Y CA -1.403 56.508 58.100 -0.316 0.000 1.082 87 Y CB 1.414 39.510 38.460 -0.606 0.000 1.264 87 Y HN -0.026 nan 8.280 nan 0.000 0.478 88 H N 0.451 119.396 119.070 -0.208 0.000 2.459 88 H HA 0.412 4.970 4.556 0.004 0.000 0.332 88 H C -1.451 173.573 175.328 -0.508 0.000 1.094 88 H CA -0.620 55.306 56.048 -0.203 0.000 1.224 88 H CB 0.700 30.447 29.762 -0.025 0.000 1.449 88 H HN 0.496 nan 8.280 nan 0.000 0.484 89 Y N 3.202 123.140 120.300 -0.602 0.000 2.446 89 Y HA 0.457 5.010 4.550 0.004 0.000 0.338 89 Y C -0.658 174.796 175.900 -0.742 0.000 1.055 89 Y CA -0.901 56.626 58.100 -0.955 0.000 1.101 89 Y CB 1.259 38.844 38.460 -1.460 0.000 1.221 89 Y HN 0.544 nan 8.280 nan 0.000 0.460 90 F N -0.590 119.182 119.950 -0.297 0.000 2.688 90 F HA 0.595 5.124 4.527 0.004 0.000 0.308 90 F C -2.004 173.814 175.800 0.030 0.000 1.117 90 F CA -1.889 56.084 58.000 -0.046 0.000 0.976 90 F CB 0.614 39.600 39.000 -0.025 0.000 1.291 90 F HN 0.153 nan 8.300 nan 0.000 0.439 91 F N 2.150 122.349 119.950 0.416 0.000 2.375 91 F HA 0.725 5.254 4.527 0.003 0.000 0.333 91 F C 0.203 176.183 175.800 0.299 0.000 1.104 91 F CA -0.225 57.976 58.000 0.335 0.000 1.149 91 F CB 1.680 40.846 39.000 0.276 0.000 1.190 91 F HN 0.435 nan 8.300 nan 0.000 0.533 92 K N 1.437 122.129 120.400 0.486 0.000 2.512 92 K HA 0.389 4.711 4.320 0.004 0.000 0.263 92 K C -1.488 175.281 176.600 0.282 0.000 0.966 92 K CA -1.225 55.225 56.287 0.272 0.000 0.851 92 K CB 2.408 34.918 32.500 0.018 0.000 1.395 92 K HN 0.452 nan 8.250 nan 0.000 0.440 93 N N 1.595 120.398 118.700 0.173 0.000 2.478 93 N HA 0.042 4.784 4.740 0.004 0.000 0.291 93 N C -0.915 174.655 175.510 0.100 0.000 1.090 93 N CA -0.312 52.826 53.050 0.147 0.000 0.911 93 N CB 1.611 40.157 38.487 0.097 0.000 1.546 93 N HN 0.695 nan 8.380 nan 0.000 0.500 94 D N 2.374 122.842 120.400 0.113 0.000 2.378 94 D HA 0.121 4.763 4.640 0.004 0.000 0.227 94 D C 1.223 177.561 176.300 0.063 0.000 1.012 94 D CA 1.107 55.159 54.000 0.087 0.000 0.905 94 D CB -0.155 40.709 40.800 0.105 0.000 0.895 94 D HN 0.859 nan 8.370 nan 0.000 0.532 95 G N -0.536 108.288 108.800 0.040 0.000 2.213 95 G HA2 -0.251 3.711 3.960 0.004 0.000 0.226 95 G HA3 -0.251 3.711 3.960 0.004 0.000 0.226 95 G C 0.777 175.695 174.900 0.030 0.000 0.992 95 G CA 0.342 45.443 45.100 0.002 0.000 0.632 95 G HN 0.290 nan 8.290 nan 0.000 0.511 96 L N 1.243 122.497 121.223 0.053 0.000 2.526 96 L HA 0.263 4.605 4.340 0.004 0.000 0.210 96 L C 1.784 178.688 176.870 0.056 0.000 1.048 96 L CA 1.302 56.177 54.840 0.058 0.000 0.852 96 L CB -1.301 40.793 42.059 0.059 0.000 1.128 96 L HN 0.729 nan 8.230 nan 0.000 0.482 97 Q N 0.572 120.410 119.800 0.063 0.000 2.330 97 Q HA -0.079 4.264 4.340 0.004 0.000 0.279 97 Q C 0.349 176.383 176.000 0.057 0.000 1.024 97 Q CA 0.200 56.041 55.803 0.063 0.000 0.900 97 Q CB 0.663 29.450 28.738 0.081 0.000 1.221 97 Q HN 0.067 nan 8.270 nan 0.000 0.396 98 N N 1.806 120.536 118.700 0.050 0.000 2.166 98 N HA -0.148 4.594 4.740 0.004 0.000 0.186 98 N C -0.253 175.284 175.510 0.044 0.000 1.019 98 N CA 1.280 54.357 53.050 0.045 0.000 0.856 98 N CB 0.463 38.974 38.487 0.040 0.000 0.993 98 N HN 0.512 nan 8.380 nan 0.000 0.426 99 Q N 0.717 120.549 119.800 0.053 0.000 2.309 99 Q HA 0.273 4.615 4.340 0.004 0.000 0.264 99 Q C -0.961 175.096 176.000 0.096 0.000 1.008 99 Q CA -0.704 55.134 55.803 0.058 0.000 0.853 99 Q CB 1.234 30.005 28.738 0.056 0.000 1.314 99 Q HN 0.219 nan 8.270 nan 0.000 0.448 100 N N 0.451 119.210 118.700 0.098 0.000 2.479 100 N HA 0.152 4.894 4.740 0.004 0.000 0.257 100 N C -0.513 175.201 175.510 0.340 0.000 1.232 100 N CA 0.001 53.171 53.050 0.201 0.000 0.920 100 N CB 0.764 39.332 38.487 0.135 0.000 1.105 100 N HN 0.208 nan 8.380 nan 0.000 0.444 101 V N 2.271 122.434 119.914 0.415 0.000 2.472 101 V HA 0.247 4.369 4.120 0.004 0.000 0.290 101 V C 0.082 176.415 176.094 0.397 0.000 1.037 101 V CA -0.904 61.602 62.300 0.343 0.000 0.908 101 V CB 1.613 33.593 31.823 0.260 0.000 0.985 101 V HN 0.408 nan 8.190 nan 0.000 0.454 102 L N 5.428 126.718 121.223 0.111 0.000 2.265 102 L HA 0.526 4.868 4.340 0.004 0.000 0.288 102 L C -0.926 175.878 176.870 -0.111 0.000 1.058 102 L CA 0.073 54.796 54.840 -0.196 0.000 0.809 102 L CB 0.427 42.312 42.059 -0.289 0.000 1.179 102 L HN 0.619 nan 8.230 nan 0.000 0.429 103 W N 5.654 126.684 121.300 -0.449 0.000 2.578 103 W HA 0.768 5.430 4.660 0.004 0.000 0.364 103 W C -0.180 175.765 176.519 -0.958 0.000 1.144 103 W CA -0.592 56.396 57.345 -0.596 0.000 1.242 103 W CB 1.049 30.077 29.460 -0.719 0.000 1.382 103 W HN 0.530 nan 8.180 nan 0.000 0.625 104 R N 0.881 121.016 120.500 -0.608 0.000 2.739 104 R HA 0.737 5.079 4.340 0.004 0.000 0.271 104 R C -1.587 174.486 176.300 -0.380 0.000 1.010 104 R CA -1.111 54.465 56.100 -0.874 0.000 0.897 104 R CB 2.273 31.726 30.300 -1.411 0.000 1.236 104 R HN 0.568 nan 8.270 nan 0.000 0.466 105 Q N 1.307 121.001 119.800 -0.176 0.000 2.353 105 Q HA 0.198 4.541 4.340 0.004 0.000 0.275 105 Q C -1.861 174.234 176.000 0.158 0.000 1.029 105 Q CA -0.760 55.099 55.803 0.093 0.000 0.848 105 Q CB 2.675 31.548 28.738 0.224 0.000 1.390 105 Q HN 0.740 nan 8.270 nan 0.000 0.401 106 Q N 2.895 122.786 119.800 0.151 0.000 2.387 106 Q HA 0.282 4.624 4.340 0.004 0.000 0.273 106 Q C 0.296 176.303 176.000 0.013 0.000 1.089 106 Q CA -0.065 55.761 55.803 0.038 0.000 0.824 106 Q CB 1.860 30.504 28.738 -0.158 0.000 1.367 106 Q HN 0.855 nan 8.270 nan 0.000 0.443 107 E N 1.859 122.055 120.200 -0.007 0.000 2.831 107 E HA -0.325 4.027 4.350 0.004 0.000 0.227 107 E C 0.382 176.974 176.600 -0.013 0.000 0.895 107 E CA 2.149 58.540 56.400 -0.014 0.000 1.313 107 E CB -1.330 28.352 29.700 -0.030 0.000 1.338 107 E HN 0.792 nan 8.360 nan 0.000 0.485 108 G N 1.506 110.299 108.800 -0.012 0.000 4.637 108 G HA2 0.418 4.380 3.960 0.004 0.000 0.308 108 G HA3 0.418 4.380 3.960 0.004 0.000 0.308 108 G C -0.589 174.315 174.900 0.006 0.000 1.377 108 G CA -0.517 44.579 45.100 -0.006 0.000 1.176 108 G HN 0.114 nan 8.290 nan 0.000 0.601 109 K N 0.489 120.901 120.400 0.020 0.000 2.533 109 K HA 0.452 4.774 4.320 0.004 0.000 0.272 109 K C -2.835 173.796 176.600 0.051 0.000 0.985 109 K CA -1.722 54.586 56.287 0.036 0.000 0.876 109 K CB 2.974 35.502 32.500 0.048 0.000 1.452 109 K HN -0.006 nan 8.250 nan 0.000 0.439 110 P HA 0.097 nan 4.420 nan 0.000 0.274 110 P C -0.836 176.541 177.300 0.128 0.000 1.231 110 P CA -0.316 62.832 63.100 0.080 0.000 0.790 110 P CB 0.765 32.510 31.700 0.074 0.000 0.951 111 A N 2.291 125.220 122.820 0.183 0.000 2.466 111 A HA 0.297 4.619 4.320 0.004 0.000 0.238 111 A C 0.542 178.351 177.584 0.376 0.000 1.074 111 A CA -0.028 52.186 52.037 0.296 0.000 0.774 111 A CB -0.199 19.041 19.000 0.401 0.000 1.015 111 A HN 0.705 nan 8.150 nan 0.000 0.498 112 E N 0.586 120.960 120.200 0.290 0.000 2.383 112 E HA 0.540 4.892 4.350 0.004 0.000 0.275 112 E C -1.510 174.889 176.600 -0.336 0.000 0.918 112 E CA -0.975 55.446 56.400 0.035 0.000 0.764 112 E CB 1.395 31.070 29.700 -0.042 0.000 1.252 112 E HN 0.286 nan 8.360 nan 0.000 0.449 113 V N 2.969 122.378 119.914 -0.842 0.000 2.655 113 V HA -0.006 4.116 4.120 0.004 0.000 0.300 113 V C 0.100 175.921 176.094 -0.456 0.000 1.044 113 V CA 0.385 62.046 62.300 -1.064 0.000 1.095 113 V CB 0.348 31.581 31.823 -0.984 0.000 0.952 113 V HN 0.781 nan 8.190 nan 0.000 0.485 114 F N 5.445 125.087 119.950 -0.513 0.000 2.537 114 F HA 0.504 5.033 4.527 0.003 0.000 0.277 114 F C 0.117 175.754 175.800 -0.272 0.000 1.013 114 F CA 0.235 58.039 58.000 -0.326 0.000 1.332 114 F CB 0.636 39.498 39.000 -0.231 0.000 1.108 114 F HN 0.347 nan 8.300 nan 0.000 0.679 115 L N 1.759 122.755 121.223 -0.379 0.000 2.541 115 L HA 0.372 4.714 4.340 0.004 0.000 0.266 115 L C -1.834 174.897 176.870 -0.232 0.000 0.966 115 L CA -0.408 54.166 54.840 -0.444 0.000 0.871 115 L CB 1.022 42.773 42.059 -0.515 0.000 1.232 115 L HN 0.060 nan 8.230 nan 0.000 0.408 116 D N 6.400 126.668 120.400 -0.219 0.000 2.454 116 D HA 0.459 5.102 4.640 0.004 0.000 0.225 116 D C -2.004 174.249 176.300 -0.080 0.000 1.081 116 D CA -2.105 51.824 54.000 -0.119 0.000 0.864 116 D CB 2.123 42.839 40.800 -0.140 0.000 1.040 116 D HN 0.297 nan 8.370 nan 0.000 0.517 117 P HA -0.073 nan 4.420 nan 0.000 0.219 117 P C 1.026 178.324 177.300 -0.003 0.000 1.146 117 P CA 0.633 63.727 63.100 -0.010 0.000 0.808 117 P CB 0.323 32.044 31.700 0.035 0.000 0.779 118 N N -0.881 117.822 118.700 0.005 0.000 2.289 118 N HA -0.106 4.637 4.740 0.004 0.000 0.184 118 N C 1.588 177.094 175.510 -0.006 0.000 1.016 118 N CA 1.971 55.026 53.050 0.009 0.000 0.872 118 N CB -0.821 37.678 38.487 0.020 0.000 0.973 118 N HN 0.318 nan 8.380 nan 0.000 0.433 119 T N -1.200 113.338 114.554 -0.026 0.000 3.085 119 T HA 0.096 4.448 4.350 0.004 0.000 0.263 119 T C 1.902 176.584 174.700 -0.031 0.000 1.127 119 T CA 0.297 62.377 62.100 -0.034 0.000 1.103 119 T CB -0.229 68.604 68.868 -0.058 0.000 0.921 119 T HN 0.111 nan 8.240 nan 0.000 0.510 120 L N 0.544 121.750 121.223 -0.028 0.000 2.446 120 L HA 0.306 4.649 4.340 0.004 0.000 0.219 120 L C 1.316 178.181 176.870 -0.007 0.000 1.116 120 L CA 0.066 54.893 54.840 -0.023 0.000 0.844 120 L CB 0.015 42.057 42.059 -0.028 0.000 0.970 120 L HN 0.233 nan 8.230 nan 0.000 0.457 121 S N -1.159 114.541 115.700 0.000 0.000 2.532 121 S HA 0.399 4.871 4.470 0.004 0.000 0.299 121 S C -1.963 172.642 174.600 0.008 0.000 1.105 121 S CA -1.330 56.875 58.200 0.008 0.000 1.018 121 S CB 1.708 64.918 63.200 0.017 0.000 1.021 121 S HN -0.209 nan 8.310 nan 0.000 0.483 122 P HA -0.145 nan 4.420 nan 0.000 0.216 122 P C 0.306 177.613 177.300 0.011 0.000 1.157 122 P CA 1.525 64.629 63.100 0.008 0.000 0.880 122 P CB -0.013 31.692 31.700 0.008 0.000 0.791 123 D N -2.716 117.693 120.400 0.015 0.000 2.342 123 D HA 0.206 4.849 4.640 0.004 0.000 0.221 123 D C 0.945 177.258 176.300 0.021 0.000 1.101 123 D CA 0.076 54.087 54.000 0.018 0.000 0.837 123 D CB -1.084 39.728 40.800 0.020 0.000 0.938 123 D HN 0.129 nan 8.370 nan 0.000 0.508 124 G N 0.677 109.489 108.800 0.020 0.000 2.323 124 G HA2 -0.333 3.629 3.960 0.004 0.000 0.292 124 G HA3 -0.333 3.629 3.960 0.004 0.000 0.292 124 G C 0.930 175.847 174.900 0.028 0.000 1.040 124 G CA 1.031 46.145 45.100 0.023 0.000 0.942 124 G HN 0.567 nan 8.290 nan 0.000 0.506 125 T N -3.972 110.599 114.554 0.029 0.000 3.015 125 T HA 0.237 4.589 4.350 0.004 0.000 0.250 125 T C 1.225 175.947 174.700 0.037 0.000 1.057 125 T CA 0.919 63.039 62.100 0.034 0.000 1.066 125 T CB 0.335 69.224 68.868 0.035 0.000 0.959 125 T HN 0.372 nan 8.240 nan 0.000 0.488 126 T N 3.368 117.943 114.554 0.035 0.000 2.829 126 T HA 0.532 4.884 4.350 0.004 0.000 0.293 126 T C 0.086 174.811 174.700 0.041 0.000 0.970 126 T CA -0.059 62.065 62.100 0.039 0.000 1.168 126 T CB 0.220 69.106 68.868 0.031 0.000 0.911 126 T HN 0.605 nan 8.240 nan 0.000 0.535 127 A N 4.091 126.941 122.820 0.050 0.000 2.355 127 A HA 0.698 5.020 4.320 0.004 0.000 0.324 127 A C -0.159 177.466 177.584 0.068 0.000 1.117 127 A CA -0.804 51.263 52.037 0.050 0.000 0.785 127 A CB 0.908 19.932 19.000 0.040 0.000 1.254 127 A HN 0.871 nan 8.150 nan 0.000 0.453 128 L N 1.305 122.571 121.223 0.072 0.000 2.416 128 L HA 0.182 4.525 4.340 0.004 0.000 0.272 128 L C 0.487 177.410 176.870 0.089 0.000 1.161 128 L CA 0.032 54.938 54.840 0.110 0.000 0.845 128 L CB 0.858 42.991 42.059 0.124 0.000 1.119 128 L HN 1.041 nan 8.230 nan 0.000 0.464 129 D N 1.190 121.657 120.400 0.112 0.000 2.949 129 D HA 0.046 4.688 4.640 0.004 0.000 0.247 129 D C -0.188 176.170 176.300 0.096 0.000 1.552 129 D CA 0.351 54.403 54.000 0.087 0.000 1.231 129 D CB 0.560 41.413 40.800 0.088 0.000 0.990 129 D HN 0.355 nan 8.370 nan 0.000 0.270 130 Q N 0.412 120.277 119.800 0.107 0.000 2.235 130 Q HA 0.458 4.800 4.340 0.004 0.000 0.250 130 Q C -0.806 175.275 176.000 0.134 0.000 0.909 130 Q CA -0.537 55.328 55.803 0.104 0.000 0.910 130 Q CB 2.172 30.959 28.738 0.082 0.000 1.223 130 Q HN 0.280 nan 8.270 nan 0.000 0.432 131 L N 1.261 122.563 121.223 0.132 0.000 2.404 131 L HA 0.461 4.803 4.340 0.004 0.000 0.272 131 L C -1.085 175.854 176.870 0.116 0.000 0.980 131 L CA 0.039 54.958 54.840 0.131 0.000 0.836 131 L CB 2.013 44.194 42.059 0.203 0.000 1.238 131 L HN 0.542 nan 8.230 nan 0.000 0.408 132 S N 4.592 120.337 115.700 0.076 0.000 2.750 132 S HA 0.602 5.074 4.470 0.004 0.000 0.276 132 S C -0.971 173.758 174.600 0.214 0.000 1.165 132 S CA -0.414 57.915 58.200 0.214 0.000 1.047 132 S CB 0.253 63.615 63.200 0.271 0.000 1.056 132 S HN 0.349 nan 8.310 nan 0.000 0.481 133 F N 3.134 123.121 119.950 0.062 0.000 2.371 133 F HA 0.407 4.936 4.527 0.004 0.000 0.329 133 F C 1.498 176.894 175.800 -0.673 0.000 1.107 133 F CA -0.281 57.609 58.000 -0.184 0.000 1.137 133 F CB 1.167 40.056 39.000 -0.184 0.000 1.214 133 F HN 0.621 nan 8.300 nan 0.000 0.536 134 S N 1.604 116.709 115.700 -0.991 0.000 2.589 134 S HA 0.117 4.589 4.470 0.004 0.000 0.265 134 S C 1.255 175.556 174.600 -0.499 0.000 1.342 134 S CA -0.771 56.522 58.200 -1.512 0.000 1.005 134 S CB 0.905 63.288 63.200 -1.362 0.000 0.909 134 S HN 0.708 nan 8.310 nan 0.000 0.555 135 R N 1.451 121.789 120.500 -0.271 0.000 2.117 135 R HA -0.154 4.189 4.340 0.004 0.000 0.243 135 R C 1.373 177.631 176.300 -0.070 0.000 1.143 135 R CA 2.311 58.368 56.100 -0.072 0.000 0.968 135 R CB -1.020 29.293 30.300 0.023 0.000 0.863 135 R HN 0.931 nan 8.270 nan 0.000 0.444 136 D N -2.117 118.230 120.400 -0.088 0.000 2.349 136 D HA 0.111 4.753 4.640 0.004 0.000 0.224 136 D C 1.099 177.370 176.300 -0.048 0.000 1.029 136 D CA 0.774 54.743 54.000 -0.051 0.000 0.879 136 D CB -0.197 40.585 40.800 -0.030 0.000 0.906 136 D HN 0.344 nan 8.370 nan 0.000 0.528 137 G N 0.804 109.565 108.800 -0.064 0.000 2.162 137 G HA2 -0.416 3.546 3.960 0.004 0.000 0.260 137 G HA3 -0.416 3.546 3.960 0.004 0.000 0.260 137 G C 1.216 176.182 174.900 0.111 0.000 0.976 137 G CA 0.400 45.496 45.100 -0.006 0.000 0.655 137 G HN 0.457 nan 8.290 nan 0.000 0.533 138 R N -0.851 119.679 120.500 0.050 0.000 2.200 138 R HA 0.311 4.653 4.340 0.004 0.000 0.208 138 R C 0.736 177.100 176.300 0.107 0.000 1.033 138 R CA 0.672 56.828 56.100 0.092 0.000 1.000 138 R CB 0.321 30.654 30.300 0.055 0.000 0.906 138 R HN 0.394 nan 8.270 nan 0.000 0.462 139 I N 1.063 121.651 120.570 0.030 0.000 2.608 139 I HA 0.280 4.453 4.170 0.004 0.000 0.295 139 I C -0.951 175.167 176.117 0.001 0.000 1.049 139 I CA -1.352 59.982 61.300 0.055 0.000 1.063 139 I CB 1.999 40.045 38.000 0.076 0.000 1.248 139 I HN -0.103 nan 8.210 nan 0.000 0.424 140 L N 5.287 126.536 121.223 0.044 0.000 2.341 140 L HA 0.852 5.194 4.340 0.004 0.000 0.278 140 L C -0.436 176.510 176.870 0.127 0.000 1.005 140 L CA -0.174 54.581 54.840 -0.142 0.000 0.818 140 L CB 1.567 43.408 42.059 -0.363 0.000 1.259 140 L HN 0.701 nan 8.230 nan 0.000 0.418 141 A N 4.908 127.807 122.820 0.132 0.000 2.304 141 A HA 0.754 5.076 4.320 0.004 0.000 0.323 141 A C -1.581 176.016 177.584 0.022 0.000 1.195 141 A CA -0.340 51.672 52.037 -0.042 0.000 0.826 141 A CB 0.522 19.224 19.000 -0.498 0.000 1.184 141 A HN 0.875 nan 8.150 nan 0.000 0.496 142 Y N 0.262 120.490 120.300 -0.119 0.000 2.513 142 Y HA 0.720 5.273 4.550 0.005 0.000 0.340 142 Y C -0.216 175.684 175.900 0.001 0.000 1.055 142 Y CA -0.793 57.269 58.100 -0.062 0.000 1.020 142 Y CB 1.072 39.500 38.460 -0.053 0.000 1.301 142 Y HN 0.680 nan 8.280 nan 0.000 0.453 143 S N 3.629 119.386 115.700 0.094 0.000 2.593 143 S HA 0.864 5.336 4.470 0.004 0.000 0.297 143 S C -1.170 173.515 174.600 0.141 0.000 1.112 143 S CA -0.840 57.395 58.200 0.059 0.000 1.043 143 S CB 1.663 64.887 63.200 0.039 0.000 1.054 143 S HN 0.775 nan 8.310 nan 0.000 0.516 144 L N 2.059 123.358 121.223 0.126 0.000 2.365 144 L HA 0.605 4.947 4.340 0.004 0.000 0.273 144 L C -0.306 176.626 176.870 0.104 0.000 1.000 144 L CA -0.785 54.128 54.840 0.121 0.000 0.819 144 L CB 2.467 44.585 42.059 0.100 0.000 1.284 144 L HN 0.927 nan 8.230 nan 0.000 0.418 145 S N 2.346 118.101 115.700 0.091 0.000 2.474 145 S HA 0.476 4.948 4.470 0.004 0.000 0.321 145 S C -0.294 174.355 174.600 0.081 0.000 1.080 145 S CA -0.767 57.486 58.200 0.088 0.000 1.106 145 S CB 1.187 64.434 63.200 0.077 0.000 0.984 145 S HN 0.413 nan 8.310 nan 0.000 0.464 146 L N 3.126 124.402 121.223 0.088 0.000 2.650 146 L HA 0.416 4.758 4.340 0.004 0.000 0.239 146 L C 1.026 177.938 176.870 0.070 0.000 1.412 146 L CA 0.657 55.542 54.840 0.073 0.000 1.219 146 L CB -1.769 40.333 42.059 0.072 0.000 1.534 146 L HN 1.071 nan 8.230 nan 0.000 0.430 147 A N 0.385 123.244 122.820 0.065 0.000 1.524 147 A HA 0.173 4.495 4.320 0.004 0.000 0.196 147 A C 1.485 179.110 177.584 0.068 0.000 1.263 147 A CA 0.784 52.857 52.037 0.060 0.000 0.624 147 A CB -1.440 17.590 19.000 0.051 0.000 1.151 147 A HN 1.436 nan 8.150 nan 0.000 0.179 148 G N 0.641 109.482 108.800 0.069 0.000 2.396 148 G HA2 -0.056 3.907 3.960 0.004 0.000 0.242 148 G HA3 -0.056 3.907 3.960 0.004 0.000 0.242 148 G C 1.087 176.039 174.900 0.086 0.000 1.069 148 G CA 1.365 46.509 45.100 0.074 0.000 0.633 148 G HN 2.511 nan 8.290 nan 0.000 0.517 149 S N 0.757 116.518 115.700 0.101 0.000 2.565 149 S HA 0.459 4.931 4.470 0.004 0.000 0.276 149 S C 0.988 175.635 174.600 0.078 0.000 1.326 149 S CA 0.395 58.675 58.200 0.132 0.000 1.045 149 S CB 0.801 64.121 63.200 0.200 0.000 0.918 149 S HN 0.243 nan 8.310 nan 0.000 0.505 150 D N 2.559 122.942 120.400 -0.028 0.000 2.348 150 D HA 0.059 4.702 4.640 0.004 0.000 0.211 150 D C -0.153 175.946 176.300 -0.334 0.000 0.998 150 D CA 0.201 54.080 54.000 -0.203 0.000 0.873 150 D CB 0.108 40.691 40.800 -0.363 0.000 0.925 150 D HN 0.572 nan 8.370 nan 0.000 0.524 151 W N 1.681 122.942 121.300 -0.065 0.000 2.137 151 W HA 0.197 4.859 4.660 0.003 0.000 0.344 151 W C 1.216 177.717 176.519 -0.030 0.000 1.286 151 W CA -0.169 57.142 57.345 -0.057 0.000 1.240 151 W CB 0.761 30.201 29.460 -0.033 0.000 1.141 151 W HN -0.400 nan 8.180 nan 0.000 0.579 152 R N 1.235 121.879 120.500 0.240 0.000 2.799 152 R HA 0.429 4.771 4.340 0.004 0.000 0.270 152 R C -1.187 175.164 176.300 0.085 0.000 1.010 152 R CA -1.204 54.973 56.100 0.128 0.000 0.916 152 R CB 2.123 32.466 30.300 0.072 0.000 1.228 152 R HN 0.518 nan 8.270 nan 0.000 0.469 153 E N 1.031 121.240 120.200 0.015 0.000 2.317 153 E HA 0.487 4.839 4.350 0.004 0.000 0.270 153 E C -0.644 175.846 176.600 -0.184 0.000 0.885 153 E CA -0.724 55.598 56.400 -0.129 0.000 0.760 153 E CB 2.743 32.321 29.700 -0.203 0.000 1.227 153 E HN 0.331 nan 8.360 nan 0.000 0.434 154 I N 3.057 123.433 120.570 -0.323 0.000 2.328 154 I HA 0.225 4.397 4.170 0.004 0.000 0.287 154 I C -0.593 175.238 176.117 -0.477 0.000 1.012 154 I CA -0.508 60.587 61.300 -0.341 0.000 1.195 154 I CB 0.559 38.351 38.000 -0.347 0.000 1.350 154 I HN 0.415 nan 8.210 nan 0.000 0.464 155 H N 5.743 124.454 119.070 -0.598 0.000 2.511 155 H HA 0.585 5.143 4.556 0.005 0.000 0.346 155 H C -0.273 174.783 175.328 -0.453 0.000 1.128 155 H CA -0.053 55.619 56.048 -0.627 0.000 1.342 155 H CB 1.259 30.380 29.762 -1.069 0.000 1.470 155 H HN 0.403 nan 8.280 nan 0.000 0.546 159 V N 3.318 123.370 119.914 0.229 0.000 2.343 159 V HA -0.140 3.982 4.120 0.004 0.000 0.247 159 V C 2.112 178.388 176.094 0.302 0.000 1.051 159 V CA 1.507 64.017 62.300 0.350 0.000 1.036 159 V CB -0.351 31.684 31.823 0.353 0.000 0.654 159 V HN 0.645 nan 8.190 nan 0.000 0.451 160 E N 0.759 121.095 120.200 0.226 0.000 2.047 160 E HA -0.149 4.203 4.350 0.004 0.000 0.191 160 E C 2.501 179.185 176.600 0.139 0.000 0.987 160 E CA 1.827 58.346 56.400 0.199 0.000 0.799 160 E CB -0.467 29.333 29.700 0.166 0.000 0.752 160 E HN 0.739 nan 8.360 nan 0.000 0.449 161 S N -0.144 115.621 115.700 0.108 0.000 2.501 161 S HA 0.029 4.501 4.470 0.004 0.000 0.220 161 S C 0.810 175.430 174.600 0.033 0.000 0.997 161 S CA 0.324 58.562 58.200 0.064 0.000 0.919 161 S CB 0.047 63.279 63.200 0.053 0.000 0.778 161 S HN 0.178 nan 8.310 nan 0.000 0.523 162 K N -0.328 120.098 120.400 0.043 0.000 3.274 162 K HA -0.129 4.194 4.320 0.004 0.000 0.300 162 K C -0.669 175.895 176.600 -0.059 0.000 1.230 162 K CA 0.887 57.140 56.287 -0.058 0.000 0.884 162 K CB -1.183 31.229 32.500 -0.146 0.000 1.242 162 K HN 0.459 nan 8.250 nan 0.000 0.467 163 Q N -0.153 119.648 119.800 0.000 0.000 2.204 163 Q HA 0.413 4.755 4.340 0.004 0.000 0.254 163 Q C -2.453 173.571 176.000 0.039 0.000 0.981 163 Q CA -2.314 53.495 55.803 0.009 0.000 0.897 163 Q CB 0.749 29.497 28.738 0.016 0.000 1.273 163 Q HN -0.104 nan 8.270 nan 0.000 0.464 164 P HA 0.023 nan 4.420 nan 0.000 0.271 164 P C 0.275 177.611 177.300 0.060 0.000 1.216 164 P CA -0.105 63.033 63.100 0.063 0.000 0.771 164 P CB 0.580 32.311 31.700 0.052 0.000 0.864 165 L N 3.429 124.698 121.223 0.078 0.000 2.102 165 L HA 0.097 4.440 4.340 0.004 0.000 0.202 165 L C 0.768 177.677 176.870 0.065 0.000 1.076 165 L CA 1.712 56.602 54.840 0.083 0.000 0.761 165 L CB -0.208 41.923 42.059 0.120 0.000 0.921 165 L HN 0.500 nan 8.230 nan 0.000 0.444 166 E N -2.510 117.721 120.200 0.053 0.000 2.454 166 E HA 0.344 4.697 4.350 0.004 0.000 0.279 166 E C -0.867 175.718 176.600 -0.025 0.000 1.029 166 E CA -0.499 55.916 56.400 0.025 0.000 0.831 166 E CB 0.391 30.124 29.700 0.054 0.000 1.405 166 E HN 0.020 nan 8.360 nan 0.000 0.463 167 T N -0.092 114.429 114.554 -0.055 0.000 2.940 167 T HA 0.214 4.566 4.350 0.004 0.000 0.309 167 T C -1.863 172.718 174.700 -0.197 0.000 1.056 167 T CA -1.120 60.915 62.100 -0.109 0.000 1.137 167 T CB -0.050 68.756 68.868 -0.103 0.000 0.976 167 T HN 0.289 nan 8.240 nan 0.000 0.547 168 P HA 0.192 nan 4.420 nan 0.000 0.269 168 P C -0.095 176.966 177.300 -0.399 0.000 1.215 168 P CA -0.531 62.291 63.100 -0.463 0.000 0.780 168 P CB 0.602 31.796 31.700 -0.843 0.000 0.898 169 L N 2.186 123.146 121.223 -0.438 0.000 2.397 169 L HA 0.270 4.612 4.340 0.004 0.000 0.271 169 L C 1.291 177.970 176.870 -0.319 0.000 1.148 169 L CA -0.220 54.364 54.840 -0.428 0.000 0.825 169 L CB 0.142 41.844 42.059 -0.594 0.000 1.117 169 L HN 0.478 nan 8.230 nan 0.000 0.456 170 K N 0.477 120.741 120.400 -0.226 0.000 2.280 170 K HA 0.407 4.729 4.320 0.004 0.000 0.234 170 K C -0.585 175.999 176.600 -0.027 0.000 1.028 170 K CA -0.839 55.370 56.287 -0.129 0.000 0.882 170 K CB 1.402 33.827 32.500 -0.125 0.000 1.194 170 K HN 0.459 nan 8.250 nan 0.000 0.458 171 D N -0.712 119.732 120.400 0.073 0.000 2.870 171 D HA -0.123 4.519 4.640 0.004 0.000 0.228 171 D C -0.590 175.910 176.300 0.335 0.000 1.147 171 D CA 0.612 54.768 54.000 0.260 0.000 0.757 171 D CB -1.572 39.333 40.800 0.174 0.000 1.091 171 D HN 0.293 nan 8.370 nan 0.000 0.429 172 V N 0.016 120.077 119.914 0.246 0.000 2.567 172 V HA 0.500 4.622 4.120 0.004 0.000 0.289 172 V C 0.600 176.787 176.094 0.155 0.000 1.049 172 V CA 0.036 62.464 62.300 0.213 0.000 0.969 172 V CB 2.195 34.075 31.823 0.094 0.000 0.995 172 V HN 0.104 nan 8.190 nan 0.000 0.471 173 K N 2.930 123.390 120.400 0.100 0.000 2.557 173 K HA 0.420 4.742 4.320 0.004 0.000 0.257 173 K C -1.139 175.465 176.600 0.008 0.000 0.933 173 K CA -0.794 55.374 56.287 -0.198 0.000 0.820 173 K CB 1.048 33.268 32.500 -0.467 0.000 1.330 173 K HN 0.325 nan 8.250 nan 0.000 0.432 174 F N -0.066 119.970 119.950 0.143 0.000 2.907 174 F HA -0.229 4.301 4.527 0.004 0.000 0.244 174 F C 0.081 176.036 175.800 0.258 0.000 1.007 174 F CA 0.924 59.024 58.000 0.166 0.000 0.872 174 F CB -1.848 37.248 39.000 0.159 0.000 0.767 174 F HN 0.310 nan 8.300 nan 0.000 0.837 175 S N -0.663 115.223 115.700 0.310 0.000 2.532 175 S HA 0.876 5.348 4.470 0.004 0.000 0.301 175 S C 0.433 175.151 174.600 0.196 0.000 1.083 175 S CA 0.026 58.379 58.200 0.256 0.000 1.025 175 S CB 1.727 65.079 63.200 0.255 0.000 1.056 175 S HN 0.647 nan 8.310 nan 0.000 0.494 176 G N 1.784 110.694 108.800 0.184 0.000 2.568 176 G HA2 0.722 4.685 3.960 0.004 0.000 0.293 176 G HA3 0.722 4.685 3.960 0.004 0.000 0.293 176 G C -1.091 173.912 174.900 0.171 0.000 1.347 176 G CA -0.739 44.454 45.100 0.154 0.000 1.039 176 G HN 0.750 nan 8.290 nan 0.000 0.523 177 I N 0.151 120.805 120.570 0.140 0.000 2.534 177 I HA 0.367 4.539 4.170 0.004 0.000 0.286 177 I C -0.651 175.561 176.117 0.159 0.000 1.094 177 I CA -0.443 60.909 61.300 0.088 0.000 1.055 177 I CB 2.255 40.184 38.000 -0.119 0.000 1.225 177 I HN 0.399 nan 8.210 nan 0.000 0.435 178 S N 5.408 121.265 115.700 0.262 0.000 2.672 178 S HA 0.524 4.996 4.470 0.004 0.000 0.291 178 S C -1.423 173.464 174.600 0.478 0.000 1.145 178 S CA -0.434 57.983 58.200 0.361 0.000 1.013 178 S CB 0.772 64.170 63.200 0.330 0.000 1.017 178 S HN 0.414 nan 8.310 nan 0.000 0.487 179 W N 3.763 125.294 121.300 0.384 0.000 2.251 179 W HA 0.494 5.157 4.660 0.004 0.000 0.329 179 W C -0.032 176.740 176.519 0.421 0.000 1.234 179 W CA -0.605 56.986 57.345 0.411 0.000 1.228 179 W CB 0.646 30.282 29.460 0.293 0.000 1.135 179 W HN 0.452 nan 8.180 nan 0.000 0.576 180 L N 4.475 126.132 121.223 0.723 0.000 2.283 180 L HA 0.621 4.963 4.340 0.004 0.000 0.281 180 L C 0.736 177.894 176.870 0.480 0.000 1.033 180 L CA 0.431 55.602 54.840 0.552 0.000 0.848 180 L CB -0.034 42.330 42.059 0.508 0.000 1.226 180 L HN 0.790 nan 8.230 nan 0.000 0.429 181 G N 5.045 114.065 108.800 0.366 0.000 2.651 181 G HA2 -0.430 3.532 3.960 0.004 0.000 0.315 181 G HA3 -0.430 3.532 3.960 0.004 0.000 0.315 181 G C 0.579 175.646 174.900 0.279 0.000 1.258 181 G CA 0.836 46.091 45.100 0.258 0.000 1.002 181 G HN 0.759 nan 8.290 nan 0.000 0.551 182 N N 1.016 119.856 118.700 0.234 0.000 2.235 182 N HA 0.324 5.066 4.740 0.004 0.000 0.231 182 N C 1.391 177.106 175.510 0.341 0.000 1.177 182 N CA 0.432 53.601 53.050 0.199 0.000 0.874 182 N CB 0.896 39.428 38.487 0.075 0.000 1.097 182 N HN 0.642 nan 8.380 nan 0.000 0.518 183 E N 0.399 120.837 120.200 0.396 0.000 2.086 183 E HA 0.159 4.511 4.350 0.004 0.000 0.190 183 E C 1.032 177.792 176.600 0.266 0.000 0.975 183 E CA 0.468 57.062 56.400 0.324 0.000 0.813 183 E CB 0.328 30.228 29.700 0.333 0.000 0.768 183 E HN 0.326 nan 8.360 nan 0.000 0.457 184 G N 0.183 109.166 108.800 0.305 0.000 2.323 184 G HA2 0.345 4.308 3.960 0.004 0.000 0.291 184 G HA3 0.345 4.308 3.960 0.004 0.000 0.291 184 G C -1.780 172.776 174.900 -0.573 0.000 1.278 184 G CA -0.633 44.207 45.100 -0.435 0.000 0.860 184 G HN 0.136 nan 8.290 nan 0.000 0.504 185 F N -1.977 117.295 119.950 -1.129 0.000 2.662 185 F HA 0.872 5.403 4.527 0.007 0.000 0.312 185 F C -1.356 174.141 175.800 -0.504 0.000 1.113 185 F CA -2.024 55.554 58.000 -0.702 0.000 0.951 185 F CB 1.123 39.511 39.000 -1.019 0.000 1.344 185 F HN 0.405 nan 8.300 nan 0.000 0.462 186 F N 1.820 121.937 119.950 0.278 0.000 2.399 186 F HA 0.639 5.169 4.527 0.005 0.000 0.334 186 F C -0.263 175.757 175.800 0.367 0.000 1.097 186 F CA -0.625 57.544 58.000 0.281 0.000 1.076 186 F CB 1.313 40.459 39.000 0.243 0.000 1.162 186 F HN 0.643 nan 8.300 nan 0.000 0.495 187 Y N -1.556 118.935 120.300 0.318 0.000 2.670 187 Y HA 0.769 5.320 4.550 0.002 0.000 0.334 187 Y C -1.367 174.624 175.900 0.153 0.000 1.185 187 Y CA -1.465 56.772 58.100 0.228 0.000 1.053 187 Y CB 1.025 39.626 38.460 0.235 0.000 1.298 187 Y HN 0.350 nan 8.280 nan 0.000 0.459 188 S N 1.180 116.939 115.700 0.099 0.000 2.532 188 S HA 0.775 5.247 4.470 0.004 0.000 0.301 188 S C -1.067 173.521 174.600 -0.020 0.000 1.083 188 S CA -0.718 57.362 58.200 -0.200 0.000 1.025 188 S CB 1.545 64.467 63.200 -0.463 0.000 1.056 188 S HN 0.805 nan 8.310 nan 0.000 0.494 189 S N 0.429 116.059 115.700 -0.117 0.000 2.537 189 S HA 0.500 4.972 4.470 0.004 0.000 0.271 189 S C -0.947 173.729 174.600 0.127 0.000 1.148 189 S CA -0.520 57.767 58.200 0.144 0.000 0.868 189 S CB 0.554 63.939 63.200 0.307 0.000 1.115 189 S HN 0.617 nan 8.310 nan 0.000 0.461 190 Y N 1.338 121.864 120.300 0.377 0.000 2.517 190 Y HA 0.281 4.833 4.550 0.003 0.000 0.281 190 Y C 0.824 176.868 175.900 0.240 0.000 1.125 190 Y CA 0.231 58.515 58.100 0.307 0.000 1.283 190 Y CB 0.304 38.900 38.460 0.227 0.000 1.042 190 Y HN 0.522 nan 8.280 nan 0.000 0.547 191 D N 0.899 121.515 120.400 0.359 0.000 2.168 191 D HA 0.147 4.789 4.640 0.004 0.000 0.246 191 D C -0.470 175.917 176.300 0.145 0.000 1.050 191 D CA -0.443 53.696 54.000 0.231 0.000 0.857 191 D CB 1.393 42.305 40.800 0.187 0.000 1.169 191 D HN 0.068 nan 8.370 nan 0.000 0.453 192 K N 2.360 122.835 120.400 0.126 0.000 2.416 192 K HA 0.103 4.425 4.320 0.004 0.000 0.283 192 K C -1.590 174.969 176.600 -0.069 0.000 1.037 192 K CA -1.196 55.136 56.287 0.075 0.000 0.995 192 K CB 0.824 33.389 32.500 0.108 0.000 0.938 192 K HN 0.100 nan 8.250 nan 0.000 0.475 193 P HA -0.194 nan 4.420 nan 0.000 0.219 193 P C -0.449 176.795 177.300 -0.092 0.000 1.146 193 P CA 1.100 64.079 63.100 -0.202 0.000 0.808 193 P CB 0.017 31.531 31.700 -0.311 0.000 0.779 203 D N 0.591 120.954 120.400 -0.061 0.000 2.559 203 D HA 0.189 4.831 4.640 0.004 0.000 0.234 203 D C -0.244 176.141 176.300 0.142 0.000 1.226 203 D CA -0.299 53.651 54.000 -0.084 0.000 0.830 203 D CB 0.003 40.732 40.800 -0.118 0.000 1.028 203 D HN 0.627 nan 8.370 nan 0.000 0.492 204 Q N 0.793 120.730 119.800 0.227 0.000 2.466 204 Q HA 0.194 4.536 4.340 0.004 0.000 0.242 204 Q C -0.579 175.609 176.000 0.313 0.000 1.046 204 Q CA -0.389 55.504 55.803 0.150 0.000 0.841 204 Q CB 1.346 29.996 28.738 -0.147 0.000 1.193 204 Q HN 0.362 nan 8.270 nan 0.000 0.508 205 H N 2.504 121.653 119.070 0.132 0.000 2.764 205 H HA 0.187 4.746 4.556 0.004 0.000 0.341 205 H C -0.547 174.766 175.328 -0.026 0.000 1.072 205 H CA 0.246 56.172 56.048 -0.205 0.000 1.444 205 H CB 0.727 30.352 29.762 -0.229 0.000 1.458 205 H HN 0.372 nan 8.280 nan 0.000 0.572 206 K N 3.068 123.361 120.400 -0.178 0.000 2.435 206 K HA 0.360 4.683 4.320 0.004 0.000 0.251 206 K C -1.236 175.143 176.600 -0.368 0.000 0.954 206 K CA -0.950 55.210 56.287 -0.212 0.000 0.820 206 K CB 2.877 35.212 32.500 -0.275 0.000 1.292 206 K HN 0.207 nan 8.250 nan 0.000 0.436 207 V N 2.877 122.604 119.914 -0.312 0.000 2.439 207 V HA 0.352 4.474 4.120 0.004 0.000 0.282 207 V C -1.022 174.800 176.094 -0.453 0.000 1.039 207 V CA -0.491 61.649 62.300 -0.266 0.000 0.913 207 V CB 0.250 32.039 31.823 -0.057 0.000 0.983 207 V HN 0.571 nan 8.190 nan 0.000 0.460 208 Y N 3.419 123.522 120.300 -0.329 0.000 2.562 208 Y HA 0.622 5.173 4.550 0.002 0.000 0.343 208 Y C -0.557 175.219 175.900 -0.206 0.000 1.025 208 Y CA -0.999 56.913 58.100 -0.314 0.000 1.082 208 Y CB 2.080 40.188 38.460 -0.587 0.000 1.264 208 Y HN 0.576 nan 8.280 nan 0.000 0.478 209 F N 1.892 121.778 119.950 -0.106 0.000 2.449 209 F HA 0.384 4.912 4.527 0.000 0.000 0.342 209 F C -0.852 174.802 175.800 -0.243 0.000 1.127 209 F CA -0.831 56.933 58.000 -0.394 0.000 0.975 209 F CB 0.548 39.204 39.000 -0.573 0.000 1.146 209 F HN 0.540 nan 8.300 nan 0.000 0.444 210 H N 5.711 124.116 119.070 -1.108 0.000 2.519 210 H HA 0.404 4.962 4.556 0.003 0.000 0.316 210 H C -0.606 173.960 175.328 -1.270 0.000 1.065 210 H CA -0.535 54.932 56.048 -0.969 0.000 1.264 210 H CB 0.676 29.809 29.762 -1.047 0.000 1.413 210 H HN 0.725 nan 8.280 nan 0.000 0.465 211 R N 5.608 125.386 120.500 -1.204 0.000 2.265 211 R HA 0.262 4.604 4.340 0.004 0.000 0.314 211 R C -0.373 175.429 176.300 -0.830 0.000 1.053 211 R CA -0.640 54.992 56.100 -0.781 0.000 0.931 211 R CB 0.438 30.581 30.300 -0.262 0.000 1.024 211 R HN 0.673 nan 8.270 nan 0.000 0.457 212 L N 3.917 124.870 121.223 -0.451 0.000 2.514 212 L HA 0.060 4.402 4.340 0.004 0.000 0.280 212 L C 1.348 178.146 176.870 -0.119 0.000 1.223 212 L CA 1.149 55.880 54.840 -0.182 0.000 0.864 212 L CB 0.658 42.768 42.059 0.085 0.000 1.118 212 L HN 1.127 nan 8.230 nan 0.000 0.494 213 G N 1.330 110.103 108.800 -0.045 0.000 2.141 213 G HA2 -0.238 3.724 3.960 0.004 0.000 0.242 213 G HA3 -0.238 3.724 3.960 0.004 0.000 0.242 213 G C 0.157 175.035 174.900 -0.036 0.000 0.982 213 G CA 0.204 45.295 45.100 -0.016 0.000 0.662 213 G HN 0.870 nan 8.290 nan 0.000 0.527 214 T N -2.610 111.898 114.554 -0.076 0.000 2.901 214 T HA 0.884 5.236 4.350 0.004 0.000 0.293 214 T C 0.104 174.836 174.700 0.053 0.000 1.084 214 T CA 0.323 62.396 62.100 -0.045 0.000 1.008 214 T CB 2.114 70.918 68.868 -0.108 0.000 1.170 214 T HN 1.750 nan 8.240 nan 0.000 0.509 215 A N 0.874 123.719 122.820 0.041 0.000 2.340 215 A HA 0.394 4.716 4.320 0.004 0.000 0.268 215 A C 1.406 179.030 177.584 0.067 0.000 1.100 215 A CA -0.456 51.609 52.037 0.046 0.000 0.803 215 A CB 0.423 19.426 19.000 0.005 0.000 1.043 215 A HN 1.072 nan 8.150 nan 0.000 0.488 216 Q N 0.800 120.603 119.800 0.004 0.000 2.181 216 Q HA -0.237 4.106 4.340 0.004 0.000 0.205 216 Q C 1.645 177.622 176.000 -0.039 0.000 0.980 216 Q CA 2.128 57.901 55.803 -0.051 0.000 0.862 216 Q CB -0.128 28.490 28.738 -0.199 0.000 0.905 216 Q HN 0.959 nan 8.270 nan 0.000 0.429 217 E N -0.579 119.596 120.200 -0.043 0.000 2.401 217 E HA -0.201 4.151 4.350 0.004 0.000 0.199 217 E C 0.356 176.946 176.600 -0.017 0.000 1.023 217 E CA 1.205 57.580 56.400 -0.042 0.000 0.859 217 E CB 0.026 29.706 29.700 -0.033 0.000 0.780 217 E HN 0.377 nan 8.360 nan 0.000 0.523 218 D N 1.201 121.604 120.400 0.004 0.000 2.363 218 D HA 0.055 4.697 4.640 0.004 0.000 0.214 218 D C -0.506 175.819 176.300 0.042 0.000 1.093 218 D CA -0.042 53.970 54.000 0.020 0.000 0.837 218 D CB 0.072 40.879 40.800 0.012 0.000 0.948 218 D HN 0.114 nan 8.370 nan 0.000 0.507 219 D N 1.432 121.863 120.400 0.052 0.000 2.455 219 D HA -0.020 4.622 4.640 0.004 0.000 0.241 219 D C 0.750 177.161 176.300 0.186 0.000 1.138 219 D CA 0.223 54.285 54.000 0.103 0.000 0.877 219 D CB 0.958 41.830 40.800 0.120 0.000 1.187 219 D HN -0.019 nan 8.370 nan 0.000 0.451 220 R N 2.205 122.825 120.500 0.200 0.000 2.389 220 R HA 0.208 4.550 4.340 0.004 0.000 0.295 220 R C -0.439 175.997 176.300 0.226 0.000 1.075 220 R CA -0.775 55.441 56.100 0.192 0.000 1.005 220 R CB 0.409 30.791 30.300 0.136 0.000 0.987 220 R HN 0.300 nan 8.270 nan 0.000 0.452 221 L N 5.543 126.852 121.223 0.143 0.000 2.360 221 L HA 0.091 4.433 4.340 0.004 0.000 0.276 221 L C 0.045 176.869 176.870 -0.077 0.000 1.121 221 L CA 0.469 55.243 54.840 -0.110 0.000 0.845 221 L CB 1.622 43.638 42.059 -0.072 0.000 1.143 221 L HN 0.640 nan 8.230 nan 0.000 0.452 222 V N 5.351 125.195 119.914 -0.117 0.000 3.048 222 V HA 0.301 4.423 4.120 0.004 0.000 0.241 222 V C 0.139 176.272 176.094 0.065 0.000 1.129 222 V CA 0.391 62.712 62.300 0.035 0.000 1.128 222 V CB -0.047 31.877 31.823 0.169 0.000 0.849 222 V HN 0.729 nan 8.190 nan 0.000 0.475 223 F N -1.422 118.408 119.950 -0.200 0.000 2.703 223 F HA 0.623 5.152 4.527 0.004 0.000 0.308 223 F C 0.486 176.185 175.800 -0.169 0.000 1.126 223 F CA 0.342 58.237 58.000 -0.175 0.000 0.959 223 F CB 1.740 40.640 39.000 -0.167 0.000 1.297 223 F HN 0.097 nan 8.300 nan 0.000 0.441 224 G N 1.675 110.026 108.800 -0.748 0.000 2.218 224 G HA2 -0.152 3.810 3.960 0.004 0.000 0.216 224 G HA3 -0.152 3.810 3.960 0.004 0.000 0.216 224 G C 0.666 175.505 174.900 -0.101 0.000 0.994 224 G CA 0.267 45.172 45.100 -0.325 0.000 0.637 224 G HN 1.525 nan 8.290 nan 0.000 0.505 225 A N 0.299 123.036 122.820 -0.138 0.000 1.911 225 A HA 0.636 4.958 4.320 0.004 0.000 0.212 225 A C 1.515 179.131 177.584 0.053 0.000 1.189 225 A CA 1.167 53.208 52.037 0.006 0.000 0.639 225 A CB -0.361 18.623 19.000 -0.026 0.000 0.839 225 A HN 1.522 nan 8.150 nan 0.000 0.449 226 I N -3.032 117.463 120.570 -0.125 0.000 2.779 226 I HA 0.249 4.421 4.170 0.004 0.000 0.285 226 I C -1.984 173.846 176.117 -0.478 0.000 1.134 226 I CA -1.701 59.483 61.300 -0.194 0.000 1.398 226 I CB 0.404 38.289 38.000 -0.191 0.000 1.404 226 I HN -0.110 nan 8.210 nan 0.000 0.587 227 P HA -0.247 nan 4.420 nan 0.000 0.216 227 P C 1.409 178.327 177.300 -0.637 0.000 1.154 227 P CA 2.331 64.839 63.100 -0.987 0.000 0.865 227 P CB 0.041 31.491 31.700 -0.418 0.000 0.789 228 A N -0.886 121.721 122.820 -0.356 0.000 2.125 228 A HA -0.199 4.123 4.320 0.004 0.000 0.219 228 A C 1.892 179.367 177.584 -0.181 0.000 1.156 228 A CA 1.388 53.300 52.037 -0.208 0.000 0.671 228 A CB -0.917 18.003 19.000 -0.133 0.000 0.794 228 A HN 0.293 nan 8.150 nan 0.000 0.459 229 Q N -0.996 118.620 119.800 -0.306 0.000 2.247 229 Q HA 0.105 4.447 4.340 0.004 0.000 0.211 229 Q C -0.671 175.324 176.000 -0.009 0.000 0.861 229 Q CA -0.271 55.335 55.803 -0.329 0.000 0.949 229 Q CB 0.254 28.369 28.738 -1.038 0.000 1.115 229 Q HN 0.809 nan 8.270 nan 0.000 0.507 230 H N 0.686 119.671 119.070 -0.142 0.000 3.046 230 H HA 0.061 4.618 4.556 0.003 0.000 0.303 230 H C -0.614 174.587 175.328 -0.212 0.000 1.002 230 H CA 0.214 56.206 56.048 -0.094 0.000 1.460 230 H CB 0.317 30.019 29.762 -0.099 0.000 1.493 230 H HN 0.157 nan 8.280 nan 0.000 0.559 231 H N 0.638 119.842 119.070 0.224 0.000 3.012 231 H HA 0.142 4.700 4.556 0.003 0.000 0.367 231 H C 0.721 176.131 175.328 0.137 0.000 1.211 231 H CA -0.851 55.316 56.048 0.198 0.000 1.139 231 H CB 1.494 31.426 29.762 0.284 0.000 1.838 231 H HN 0.504 nan 8.280 nan 0.000 0.550 232 R N 0.749 121.322 120.500 0.122 0.000 2.153 232 R HA 0.046 4.389 4.340 0.004 0.000 0.218 232 R C -0.634 175.436 176.300 -0.384 0.000 1.072 232 R CA 1.193 57.174 56.100 -0.198 0.000 0.990 232 R CB 0.358 30.348 30.300 -0.517 0.000 0.889 232 R HN 0.490 nan 8.270 nan 0.000 0.452 233 Y N -0.159 120.303 120.300 0.270 0.000 2.354 233 Y HA 0.337 4.889 4.550 0.004 0.000 0.330 233 Y C -0.635 175.456 175.900 0.318 0.000 1.011 233 Y CA -1.397 56.861 58.100 0.263 0.000 1.099 233 Y CB 2.031 40.549 38.460 0.096 0.000 1.179 233 Y HN -0.192 nan 8.280 nan 0.000 0.442 234 V N -0.010 120.260 119.914 0.593 0.000 2.823 234 V HA 1.134 5.256 4.120 0.004 0.000 0.312 234 V C -0.256 175.898 176.094 0.099 0.000 1.072 234 V CA -0.722 61.694 62.300 0.193 0.000 0.937 234 V CB 1.798 33.681 31.823 0.099 0.000 1.013 234 V HN 0.910 nan 8.190 nan 0.000 0.430 235 G N 1.034 109.836 108.800 0.003 0.000 2.619 235 G HA2 0.957 4.920 3.960 0.004 0.000 0.296 235 G HA3 0.957 4.920 3.960 0.004 0.000 0.296 235 G C -1.072 173.795 174.900 -0.056 0.000 1.334 235 G CA -0.458 44.648 45.100 0.010 0.000 0.934 235 G HN 1.756 nan 8.290 nan 0.000 0.476 236 A N 0.243 123.054 122.820 -0.016 0.000 2.427 236 A HA 0.872 5.195 4.320 0.004 0.000 0.298 236 A C -0.557 177.022 177.584 -0.009 0.000 1.036 236 A CA -0.559 51.433 52.037 -0.075 0.000 0.701 236 A CB 1.852 20.791 19.000 -0.101 0.000 1.250 236 A HN 0.873 nan 8.150 nan 0.000 0.412 237 T N 1.392 115.916 114.554 -0.050 0.000 2.921 237 T HA 0.553 4.905 4.350 0.004 0.000 0.297 237 T C -0.782 173.929 174.700 0.018 0.000 1.013 237 T CA -0.422 61.697 62.100 0.032 0.000 0.990 237 T CB 1.553 70.445 68.868 0.039 0.000 1.023 237 T HN 0.574 nan 8.240 nan 0.000 0.447 238 V N 3.637 123.620 119.914 0.115 0.000 2.435 238 V HA 0.485 4.607 4.120 0.004 0.000 0.290 238 V C 1.007 177.201 176.094 0.166 0.000 1.030 238 V CA -0.886 61.500 62.300 0.144 0.000 0.881 238 V CB 1.662 33.648 31.823 0.272 0.000 0.983 238 V HN 1.130 nan 8.190 nan 0.000 0.445 239 T N 0.544 115.201 114.554 0.171 0.000 2.856 239 T HA 0.069 4.422 4.350 0.004 0.000 0.306 239 T C 1.126 175.916 174.700 0.150 0.000 1.062 239 T CA 0.220 62.425 62.100 0.176 0.000 1.083 239 T CB 0.767 69.787 68.868 0.253 0.000 0.984 239 T HN 0.863 nan 8.240 nan 0.000 0.542 240 E N 0.810 121.068 120.200 0.097 0.000 2.160 240 E HA -0.240 4.112 4.350 0.004 0.000 0.195 240 E C 1.243 177.897 176.600 0.090 0.000 0.991 240 E CA 1.585 58.006 56.400 0.034 0.000 0.810 240 E CB -0.190 29.387 29.700 -0.204 0.000 0.742 240 E HN 0.858 nan 8.360 nan 0.000 0.466 241 D N -0.231 120.261 120.400 0.154 0.000 2.328 241 D HA -0.098 4.545 4.640 0.004 0.000 0.226 241 D C -0.064 176.288 176.300 0.086 0.000 1.066 241 D CA 0.472 54.555 54.000 0.139 0.000 0.861 241 D CB -0.103 40.793 40.800 0.160 0.000 0.912 241 D HN 0.120 nan 8.370 nan 0.000 0.521 242 D N -0.100 120.361 120.400 0.102 0.000 3.059 242 D HA -0.248 4.394 4.640 0.004 0.000 0.220 242 D C 1.127 177.429 176.300 0.002 0.000 1.169 242 D CA 0.815 54.870 54.000 0.093 0.000 0.902 242 D CB -1.022 39.841 40.800 0.104 0.000 1.116 242 D HN 0.466 nan 8.370 nan 0.000 0.417 243 R N -0.742 119.710 120.500 -0.079 0.000 2.112 243 R HA 0.078 4.421 4.340 0.004 0.000 0.216 243 R C 0.320 176.277 176.300 -0.571 0.000 1.080 243 R CA 0.823 56.697 56.100 -0.377 0.000 0.996 243 R CB 0.350 30.315 30.300 -0.559 0.000 0.902 243 R HN -0.020 nan 8.270 nan 0.000 0.449 244 F N 0.231 120.214 119.950 0.056 0.000 2.551 244 F HA 0.357 4.886 4.527 0.004 0.000 0.316 244 F C -0.698 175.095 175.800 -0.012 0.000 1.089 244 F CA -1.316 56.698 58.000 0.024 0.000 0.915 244 F CB 1.762 40.779 39.000 0.029 0.000 1.186 244 F HN -0.185 nan 8.300 nan 0.000 0.456 245 L N 4.483 125.790 121.223 0.141 0.000 2.296 245 L HA 0.622 4.964 4.340 0.004 0.000 0.286 245 L C -1.690 175.147 176.870 -0.054 0.000 1.023 245 L CA -0.351 54.443 54.840 -0.078 0.000 0.812 245 L CB 0.825 42.719 42.059 -0.275 0.000 1.223 245 L HN 0.384 nan 8.230 nan 0.000 0.421 246 L N 7.090 128.262 121.223 -0.086 0.000 2.325 246 L HA 0.499 4.842 4.340 0.004 0.000 0.281 246 L C -0.449 176.340 176.870 -0.136 0.000 1.004 246 L CA -0.216 54.575 54.840 -0.082 0.000 0.823 246 L CB 1.572 43.596 42.059 -0.057 0.000 1.236 246 L HN 0.656 nan 8.230 nan 0.000 0.415 247 I N 2.733 123.211 120.570 -0.152 0.000 2.362 247 I HA 0.260 4.433 4.170 0.004 0.000 0.289 247 I C 0.401 176.386 176.117 -0.219 0.000 0.994 247 I CA -0.273 60.881 61.300 -0.243 0.000 1.158 247 I CB 2.062 39.811 38.000 -0.417 0.000 1.315 247 I HN 0.623 nan 8.210 nan 0.000 0.451 248 S N 5.142 120.726 115.700 -0.193 0.000 2.565 248 S HA 0.896 5.369 4.470 0.004 0.000 0.290 248 S C -0.445 174.045 174.600 -0.182 0.000 1.150 248 S CA -0.668 57.443 58.200 -0.149 0.000 1.058 248 S CB 2.195 65.347 63.200 -0.079 0.000 1.032 248 S HN 0.738 nan 8.310 nan 0.000 0.510 249 A N 0.981 123.697 122.820 -0.174 0.000 2.437 249 A HA 0.900 5.223 4.320 0.004 0.000 0.293 249 A C -0.450 177.075 177.584 -0.098 0.000 1.038 249 A CA -0.405 51.477 52.037 -0.257 0.000 0.708 249 A CB 1.097 19.678 19.000 -0.698 0.000 1.251 249 A HN 1.844 nan 8.150 nan 0.000 0.409 250 A N 1.493 124.404 122.820 0.152 0.000 2.609 250 A HA 0.757 5.079 4.320 0.004 0.000 0.291 250 A C -0.261 177.558 177.584 0.391 0.000 1.096 250 A CA -0.510 51.695 52.037 0.281 0.000 0.684 250 A CB 0.866 19.988 19.000 0.203 0.000 1.282 250 A HN 0.792 nan 8.150 nan 0.000 0.412 251 N N -0.753 118.138 118.700 0.319 0.000 2.227 251 N HA 0.210 4.952 4.740 0.004 0.000 0.196 251 N C 0.105 175.781 175.510 0.276 0.000 1.142 251 N CA 0.655 53.846 53.050 0.235 0.000 0.887 251 N CB 0.677 39.255 38.487 0.152 0.000 1.022 251 N HN 0.796 nan 8.380 nan 0.000 0.500 252 S N -1.687 114.172 115.700 0.264 0.000 2.688 252 S HA 0.169 4.641 4.470 0.004 0.000 0.275 252 S C 0.729 175.379 174.600 0.083 0.000 1.175 252 S CA -0.565 57.747 58.200 0.187 0.000 0.818 252 S CB 0.843 64.110 63.200 0.113 0.000 1.157 252 S HN 0.065 nan 8.310 nan 0.000 0.482 253 T N -0.950 113.609 114.554 0.008 0.000 3.113 253 T HA 0.173 4.525 4.350 0.004 0.000 0.263 253 T C 0.492 175.187 174.700 -0.009 0.000 1.143 253 T CA 0.495 62.571 62.100 -0.041 0.000 1.090 253 T CB -0.475 68.361 68.868 -0.054 0.000 0.922 253 T HN 0.448 nan 8.240 nan 0.000 0.521 254 S N 1.429 117.138 115.700 0.016 0.000 2.474 254 S HA 0.630 5.103 4.470 0.004 0.000 0.320 254 S C 0.464 175.081 174.600 0.030 0.000 1.067 254 S CA -0.273 57.934 58.200 0.012 0.000 1.127 254 S CB 0.506 63.704 63.200 -0.003 0.000 0.971 254 S HN 1.031 nan 8.310 nan 0.000 0.472 255 G N 3.349 112.165 108.800 0.026 0.000 2.721 255 G HA2 -0.101 3.861 3.960 0.004 0.000 0.686 255 G HA3 -0.101 3.861 3.960 0.004 0.000 0.686 255 G C -1.085 173.846 174.900 0.051 0.000 1.236 255 G CA -0.802 44.321 45.100 0.037 0.000 0.786 255 G HN 0.846 nan 8.290 nan 0.000 0.616 256 N N 0.178 118.902 118.700 0.040 0.000 2.504 256 N HA 0.496 5.239 4.740 0.004 0.000 0.268 256 N C -0.410 175.101 175.510 0.002 0.000 1.184 256 N CA -1.008 52.062 53.050 0.033 0.000 0.875 256 N CB 1.481 39.972 38.487 0.006 0.000 1.630 256 N HN 0.777 nan 8.380 nan 0.000 0.486 257 R N 0.044 120.531 120.500 -0.021 0.000 2.543 257 R HA 0.602 4.944 4.340 0.004 0.000 0.268 257 R C -0.771 175.393 176.300 -0.226 0.000 1.067 257 R CA -0.739 55.294 56.100 -0.113 0.000 1.142 257 R CB 0.726 31.007 30.300 -0.032 0.000 1.110 257 R HN 0.551 nan 8.270 nan 0.000 0.549 258 L N 1.528 122.495 121.223 -0.425 0.000 2.493 258 L HA 0.414 4.757 4.340 0.004 0.000 0.265 258 L C -1.855 174.650 176.870 -0.608 0.000 0.954 258 L CA -0.456 54.167 54.840 -0.362 0.000 0.844 258 L CB 1.674 43.630 42.059 -0.173 0.000 1.302 258 L HN 0.482 nan 8.230 nan 0.000 0.405 259 Y N 3.179 123.400 120.300 -0.131 0.000 2.536 259 Y HA 0.794 5.347 4.550 0.005 0.000 0.347 259 Y C -0.576 175.268 175.900 -0.094 0.000 1.000 259 Y CA -0.872 57.173 58.100 -0.091 0.000 1.051 259 Y CB 2.338 40.728 38.460 -0.118 0.000 1.259 259 Y HN 0.403 nan 8.280 nan 0.000 0.468 260 V N 2.802 122.774 119.914 0.097 0.000 2.735 260 V HA 0.615 4.738 4.120 0.004 0.000 0.310 260 V C -1.449 174.706 176.094 0.101 0.000 1.061 260 V CA -0.846 61.483 62.300 0.048 0.000 0.913 260 V CB 1.886 33.684 31.823 -0.041 0.000 1.005 260 V HN 0.797 nan 8.190 nan 0.000 0.428 261 K N 4.000 124.473 120.400 0.122 0.000 2.397 261 K HA 0.407 4.729 4.320 0.004 0.000 0.253 261 K C -1.284 175.453 176.600 0.228 0.000 0.932 261 K CA -0.649 55.716 56.287 0.130 0.000 0.795 261 K CB 1.629 34.161 32.500 0.053 0.000 1.159 261 K HN 0.747 nan 8.250 nan 0.000 0.424 262 D N 5.421 125.953 120.400 0.220 0.000 2.352 262 D HA 0.098 4.740 4.640 0.004 0.000 0.245 262 D C 0.885 177.179 176.300 -0.009 0.000 1.224 262 D CA -0.134 53.957 54.000 0.151 0.000 0.879 262 D CB 0.821 41.722 40.800 0.168 0.000 1.057 262 D HN 0.588 nan 8.370 nan 0.000 0.491 263 L N 2.731 123.900 121.223 -0.089 0.000 2.552 263 L HA -0.072 4.270 4.340 0.004 0.000 0.227 263 L C 2.177 178.998 176.870 -0.081 0.000 1.146 263 L CA 0.341 55.145 54.840 -0.061 0.000 0.858 263 L CB -0.271 41.768 42.059 -0.033 0.000 0.969 263 L HN 0.334 nan 8.230 nan 0.000 0.451 264 S N -1.895 113.724 115.700 -0.136 0.000 2.607 264 S HA 0.047 4.519 4.470 0.004 0.000 0.224 264 S C 0.821 175.389 174.600 -0.052 0.000 0.969 264 S CA -0.066 58.073 58.200 -0.102 0.000 0.927 264 S CB 0.023 63.138 63.200 -0.142 0.000 0.772 264 S HN 0.298 nan 8.310 nan 0.000 0.533 265 Q N 1.808 121.586 119.800 -0.036 0.000 2.348 265 Q HA 0.361 4.703 4.340 0.004 0.000 0.271 265 Q C -0.624 175.371 176.000 -0.009 0.000 1.067 265 Q CA -0.480 55.316 55.803 -0.012 0.000 0.839 265 Q CB 1.624 30.365 28.738 0.005 0.000 1.354 265 Q HN 0.694 nan 8.270 nan 0.000 0.447 266 E N -0.058 120.140 120.200 -0.004 0.000 2.259 266 E HA 0.219 4.571 4.350 0.004 0.000 0.281 266 E C -0.745 175.855 176.600 0.000 0.000 1.027 266 E CA -0.431 55.966 56.400 -0.005 0.000 0.838 266 E CB 0.131 29.828 29.700 -0.004 0.000 1.066 266 E HN 0.552 nan 8.360 nan 0.000 0.401 267 N N 0.638 119.336 118.700 -0.002 0.000 2.705 267 N HA -0.234 4.508 4.740 0.004 0.000 0.255 267 N C -0.838 174.679 175.510 0.012 0.000 1.008 267 N CA 0.420 53.472 53.050 0.003 0.000 0.742 267 N CB -0.875 37.614 38.487 0.003 0.000 0.906 267 N HN 0.718 nan 8.380 nan 0.000 0.541 268 A N 0.600 123.430 122.820 0.018 0.000 2.407 268 A HA 0.496 4.818 4.320 0.004 0.000 0.248 268 A C -1.301 176.306 177.584 0.037 0.000 1.082 268 A CA -0.762 51.294 52.037 0.032 0.000 0.785 268 A CB 0.384 19.409 19.000 0.043 0.000 1.020 268 A HN 0.231 nan 8.150 nan 0.000 0.489 269 P HA 0.411 nan 4.420 nan 0.000 0.278 269 P C -0.786 176.553 177.300 0.066 0.000 1.266 269 P CA -0.519 62.608 63.100 0.045 0.000 0.807 269 P CB 0.728 32.453 31.700 0.041 0.000 1.094 270 L N 0.634 121.900 121.223 0.072 0.000 2.349 270 L HA 0.250 4.593 4.340 0.004 0.000 0.275 270 L C 0.288 177.248 176.870 0.150 0.000 1.115 270 L CA -0.670 54.236 54.840 0.111 0.000 0.820 270 L CB 0.293 42.411 42.059 0.097 0.000 1.135 270 L HN 0.222 nan 8.230 nan 0.000 0.445 271 L N 2.140 123.462 121.223 0.166 0.000 2.334 271 L HA 0.425 4.767 4.340 0.004 0.000 0.273 271 L C 0.171 177.156 176.870 0.192 0.000 1.013 271 L CA -0.068 54.862 54.840 0.149 0.000 0.816 271 L CB 2.032 44.144 42.059 0.088 0.000 1.278 271 L HN 0.439 nan 8.230 nan 0.000 0.431 272 T N 1.739 116.382 114.554 0.149 0.000 2.727 272 T HA 0.237 4.589 4.350 0.004 0.000 0.298 272 T C 1.304 175.982 174.700 -0.038 0.000 0.942 272 T CA -0.408 61.703 62.100 0.019 0.000 0.997 272 T CB 0.972 69.871 68.868 0.051 0.000 0.917 272 T HN 0.340 nan 8.240 nan 0.000 0.487 273 V N 2.651 122.505 119.914 -0.099 0.000 2.446 273 V HA 0.075 4.197 4.120 0.004 0.000 0.244 273 V C 0.980 177.143 176.094 0.116 0.000 1.039 273 V CA 1.099 63.435 62.300 0.061 0.000 1.045 273 V CB -0.167 31.669 31.823 0.023 0.000 0.681 273 V HN 0.812 nan 8.190 nan 0.000 0.459 274 Q N -0.897 118.861 119.800 -0.069 0.000 2.263 274 Q HA 0.457 4.799 4.340 0.004 0.000 0.262 274 Q C 0.271 176.164 176.000 -0.179 0.000 0.984 274 Q CA 0.171 55.939 55.803 -0.059 0.000 0.813 274 Q CB 1.919 30.703 28.738 0.076 0.000 1.299 274 Q HN 0.300 nan 8.270 nan 0.000 0.428 275 G N 2.742 111.474 108.800 -0.114 0.000 3.088 275 G HA2 0.080 4.042 3.960 0.004 0.000 0.217 275 G HA3 0.080 4.042 3.960 0.004 0.000 0.217 275 G C -0.183 174.729 174.900 0.020 0.000 1.159 275 G CA 0.444 45.515 45.100 -0.049 0.000 0.760 275 G HN 0.717 nan 8.290 nan 0.000 0.550 276 D N -1.241 119.159 120.400 -0.000 0.000 2.497 276 D HA 0.438 5.080 4.640 0.004 0.000 0.243 276 D C 0.428 176.754 176.300 0.043 0.000 1.039 276 D CA -0.936 53.083 54.000 0.031 0.000 1.052 276 D CB 1.023 41.825 40.800 0.003 0.000 1.344 276 D HN -0.095 nan 8.370 nan 0.000 0.553 277 L N 0.128 121.386 121.223 0.059 0.000 2.872 277 L HA 0.261 4.603 4.340 0.004 0.000 0.245 277 L C 0.308 177.202 176.870 0.041 0.000 1.211 277 L CA -0.166 54.713 54.840 0.065 0.000 1.013 277 L CB -0.011 42.104 42.059 0.094 0.000 1.326 277 L HN 0.332 nan 8.230 nan 0.000 0.525 278 D N 1.219 121.633 120.400 0.024 0.000 2.349 278 D HA 0.185 4.828 4.640 0.004 0.000 0.224 278 D C 0.813 177.124 176.300 0.018 0.000 1.029 278 D CA 0.439 54.447 54.000 0.013 0.000 0.879 278 D CB 0.694 41.492 40.800 -0.004 0.000 0.906 278 D HN 0.356 nan 8.370 nan 0.000 0.528 279 A N 0.091 122.930 122.820 0.031 0.000 2.610 279 A HA 0.402 4.724 4.320 0.004 0.000 0.291 279 A C -1.518 176.094 177.584 0.046 0.000 1.086 279 A CA -0.838 51.225 52.037 0.043 0.000 0.677 279 A CB 1.451 20.493 19.000 0.070 0.000 1.278 279 A HN -0.209 nan 8.150 nan 0.000 0.414 280 D N 0.401 120.822 120.400 0.035 0.000 2.210 280 D HA 0.491 5.133 4.640 0.004 0.000 0.249 280 D C -0.982 175.325 176.300 0.012 0.000 1.062 280 D CA 0.136 54.144 54.000 0.013 0.000 0.891 280 D CB 2.049 42.845 40.800 -0.007 0.000 1.186 280 D HN 0.585 nan 8.370 nan 0.000 0.432 281 V N 1.093 120.998 119.914 -0.016 0.000 2.752 281 V HA 0.495 4.617 4.120 0.004 0.000 0.302 281 V C -1.314 174.718 176.094 -0.104 0.000 1.133 281 V CA -0.313 61.943 62.300 -0.073 0.000 0.919 281 V CB 1.860 33.668 31.823 -0.025 0.000 1.026 281 V HN 0.746 nan 8.190 nan 0.000 0.429 282 S N 5.985 121.601 115.700 -0.140 0.000 2.595 282 S HA 0.773 5.246 4.470 0.004 0.000 0.281 282 S C -1.035 173.486 174.600 -0.132 0.000 1.117 282 S CA -0.801 57.330 58.200 -0.116 0.000 0.873 282 S CB 1.800 64.948 63.200 -0.087 0.000 1.108 282 S HN 1.401 nan 8.310 nan 0.000 0.477 283 L N 2.630 123.796 121.223 -0.095 0.000 2.410 283 L HA 0.471 4.813 4.340 0.004 0.000 0.273 283 L C 0.407 177.252 176.870 -0.040 0.000 1.152 283 L CA 0.421 55.219 54.840 -0.070 0.000 0.855 283 L CB 0.754 42.793 42.059 -0.033 0.000 1.129 283 L HN 0.700 nan 8.230 nan 0.000 0.463 284 V N 2.919 122.819 119.914 -0.023 0.000 2.627 284 V HA 0.324 4.446 4.120 0.004 0.000 0.239 284 V C 0.250 176.373 176.094 0.049 0.000 1.077 284 V CA 0.973 63.268 62.300 -0.008 0.000 1.103 284 V CB 0.009 31.808 31.823 -0.041 0.000 0.802 284 V HN 0.967 nan 8.190 nan 0.000 0.482 285 D N -1.650 118.809 120.400 0.098 0.000 2.827 285 D HA 0.200 4.842 4.640 0.004 0.000 0.336 285 D C -1.911 174.547 176.300 0.263 0.000 1.374 285 D CA -0.469 53.635 54.000 0.173 0.000 0.794 285 D CB 0.876 41.803 40.800 0.212 0.000 1.364 285 D HN 0.288 nan 8.370 nan 0.000 0.464 286 N N 0.467 119.358 118.700 0.318 0.000 2.405 286 N HA 0.503 5.245 4.740 0.004 0.000 0.285 286 N C -1.351 174.361 175.510 0.338 0.000 1.262 286 N CA -0.698 52.587 53.050 0.392 0.000 0.773 286 N CB 2.638 41.373 38.487 0.413 0.000 1.490 286 N HN 0.342 nan 8.380 nan 0.000 0.486 287 K N 0.462 121.092 120.400 0.385 0.000 2.637 287 K HA 0.429 4.751 4.320 0.004 0.000 0.248 287 K C 0.303 177.034 176.600 0.219 0.000 0.971 287 K CA 0.108 56.517 56.287 0.203 0.000 0.858 287 K CB 0.699 33.321 32.500 0.204 0.000 1.170 287 K HN 0.914 nan 8.250 nan 0.000 0.443 288 G N 2.108 111.000 108.800 0.152 0.000 2.574 288 G HA2 -0.379 3.583 3.960 0.004 0.000 0.286 288 G HA3 -0.379 3.583 3.960 0.004 0.000 0.286 288 G C 0.486 175.552 174.900 0.277 0.000 1.212 288 G CA 0.501 45.693 45.100 0.153 0.000 0.979 288 G HN 0.942 nan 8.290 nan 0.000 0.557 289 S N -0.725 115.118 115.700 0.238 0.000 2.631 289 S HA 0.380 4.852 4.470 0.004 0.000 0.217 289 S C 0.817 175.491 174.600 0.124 0.000 0.958 289 S CA 1.250 59.635 58.200 0.308 0.000 0.920 289 S CB 0.096 63.426 63.200 0.215 0.000 0.776 289 S HN 0.963 nan 8.310 nan 0.000 0.517 290 T N 3.536 118.162 114.554 0.120 0.000 2.749 290 T HA 0.467 4.819 4.350 0.004 0.000 0.295 290 T C -0.145 174.560 174.700 0.008 0.000 0.936 290 T CA -0.440 61.664 62.100 0.007 0.000 1.060 290 T CB 0.718 69.594 68.868 0.015 0.000 0.904 290 T HN 0.281 nan 8.240 nan 0.000 0.500 291 L N 3.538 124.660 121.223 -0.169 0.000 2.334 291 L HA 0.472 4.814 4.340 0.004 0.000 0.277 291 L C -0.694 176.045 176.870 -0.219 0.000 1.075 291 L CA -0.924 53.830 54.840 -0.142 0.000 0.804 291 L CB 0.650 42.546 42.059 -0.272 0.000 1.174 291 L HN 0.647 nan 8.230 nan 0.000 0.438 292 Y N 3.406 123.617 120.300 -0.148 0.000 2.328 292 Y HA 0.574 5.126 4.550 0.003 0.000 0.336 292 Y C -0.279 175.480 175.900 -0.236 0.000 0.960 292 Y CA -0.619 57.370 58.100 -0.185 0.000 1.134 292 Y CB 1.507 39.874 38.460 -0.155 0.000 1.166 292 Y HN 0.307 nan 8.280 nan 0.000 0.464 293 L N 4.865 125.941 121.223 -0.246 0.000 2.386 293 L HA 0.505 4.847 4.340 0.004 0.000 0.271 293 L C -1.173 175.512 176.870 -0.309 0.000 0.993 293 L CA -1.136 53.505 54.840 -0.331 0.000 0.819 293 L CB 2.015 43.711 42.059 -0.606 0.000 1.294 293 L HN 0.429 nan 8.230 nan 0.000 0.414 294 L N 2.123 123.201 121.223 -0.240 0.000 2.289 294 L HA 0.764 5.106 4.340 0.004 0.000 0.285 294 L C -0.165 176.588 176.870 -0.196 0.000 1.049 294 L CA 0.654 55.374 54.840 -0.199 0.000 0.804 294 L CB 1.599 43.561 42.059 -0.162 0.000 1.195 294 L HN 0.697 nan 8.230 nan 0.000 0.428 295 T N 2.551 117.012 114.554 -0.155 0.000 2.853 295 T HA 0.379 4.731 4.350 0.004 0.000 0.311 295 T C -0.105 174.584 174.700 -0.017 0.000 1.307 295 T CA -0.397 61.652 62.100 -0.084 0.000 1.019 295 T CB 1.059 69.877 68.868 -0.084 0.000 1.264 295 T HN 0.771 nan 8.240 nan 0.000 0.497 296 N N 1.820 120.532 118.700 0.021 0.000 2.204 296 N HA 0.092 4.834 4.740 0.004 0.000 0.219 296 N C 0.251 175.797 175.510 0.060 0.000 1.151 296 N CA -0.476 52.592 53.050 0.030 0.000 0.867 296 N CB 0.036 38.535 38.487 0.019 0.000 1.043 296 N HN 0.492 nan 8.380 nan 0.000 0.516 297 R N 1.533 122.101 120.500 0.114 0.000 2.421 297 R HA -0.013 4.329 4.340 0.004 0.000 0.305 297 R C -0.510 175.839 176.300 0.082 0.000 1.039 297 R CA 0.305 56.476 56.100 0.119 0.000 1.003 297 R CB -0.049 30.388 30.300 0.228 0.000 0.959 297 R HN 0.093 nan 8.270 nan 0.000 0.427 298 D N 1.615 122.038 120.400 0.038 0.000 2.911 298 D HA -0.230 4.413 4.640 0.004 0.000 0.227 298 D C -0.994 175.324 176.300 0.031 0.000 1.164 298 D CA 1.585 55.598 54.000 0.022 0.000 0.782 298 D CB -0.881 39.924 40.800 0.010 0.000 1.094 298 D HN 0.624 nan 8.370 nan 0.000 0.425 299 A N -1.173 121.669 122.820 0.037 0.000 2.969 299 A HA 0.512 4.835 4.320 0.004 0.000 0.303 299 A C -1.993 175.611 177.584 0.033 0.000 1.198 299 A CA -0.855 51.202 52.037 0.034 0.000 0.819 299 A CB 1.129 20.149 19.000 0.034 0.000 1.385 299 A HN -0.175 nan 8.150 nan 0.000 0.479 300 P HA -0.182 nan 4.420 nan 0.000 0.217 300 P C 0.962 178.288 177.300 0.042 0.000 1.151 300 P CA 1.478 64.603 63.100 0.042 0.000 0.849 300 P CB 0.234 31.964 31.700 0.050 0.000 0.787 301 N N -1.199 117.527 118.700 0.044 0.000 2.383 301 N HA 0.063 4.806 4.740 0.004 0.000 0.192 301 N C -0.182 175.347 175.510 0.032 0.000 1.141 301 N CA 0.230 53.308 53.050 0.047 0.000 0.851 301 N CB -0.153 38.373 38.487 0.066 0.000 0.976 301 N HN 0.115 nan 8.380 nan 0.000 0.465 302 R N -0.131 120.379 120.500 0.017 0.000 3.379 302 R HA -0.172 4.170 4.340 0.004 0.000 0.456 302 R C -0.445 175.848 176.300 -0.012 0.000 0.806 302 R CA 0.435 56.529 56.100 -0.010 0.000 1.389 302 R CB -0.433 29.841 30.300 -0.044 0.000 2.121 302 R HN 0.436 nan 8.270 nan 0.000 0.499 303 R N 0.126 120.601 120.500 -0.042 0.000 2.710 303 R HA 0.715 5.057 4.340 0.004 0.000 0.270 303 R C -1.655 174.577 176.300 -0.114 0.000 1.021 303 R CA -1.197 54.869 56.100 -0.057 0.000 0.889 303 R CB 1.155 31.439 30.300 -0.025 0.000 1.243 303 R HN 0.317 nan 8.270 nan 0.000 0.464 304 L N 2.257 123.394 121.223 -0.144 0.000 2.287 304 L HA 0.570 4.912 4.340 0.004 0.000 0.287 304 L C -0.683 176.076 176.870 -0.185 0.000 1.022 304 L CA -0.525 54.205 54.840 -0.183 0.000 0.814 304 L CB 1.780 43.716 42.059 -0.204 0.000 1.217 304 L HN 0.650 nan 8.230 nan 0.000 0.420 305 V N 1.483 121.251 119.914 -0.243 0.000 3.019 305 V HA 0.965 5.087 4.120 0.004 0.000 0.317 305 V C -0.160 175.714 176.094 -0.367 0.000 1.094 305 V CA -0.025 62.121 62.300 -0.256 0.000 1.000 305 V CB 1.741 33.418 31.823 -0.243 0.000 1.060 305 V HN 0.895 nan 8.190 nan 0.000 0.443 306 T N -0.703 113.645 114.554 -0.343 0.000 2.907 306 T HA 0.848 5.200 4.350 0.004 0.000 0.292 306 T C -0.875 173.669 174.700 -0.261 0.000 1.043 306 T CA -0.686 61.140 62.100 -0.457 0.000 1.003 306 T CB 1.667 70.174 68.868 -0.601 0.000 1.084 306 T HN 1.736 nan 8.240 nan 0.000 0.483 307 V N 0.559 120.328 119.914 -0.242 0.000 3.098 307 V HA 0.436 4.559 4.120 0.004 0.000 0.294 307 V C -1.662 174.370 176.094 -0.103 0.000 1.351 307 V CA -0.864 61.393 62.300 -0.071 0.000 0.999 307 V CB 2.299 34.186 31.823 0.106 0.000 1.104 307 V HN 1.223 nan 8.190 nan 0.000 0.438 308 D N 3.459 123.826 120.400 -0.056 0.000 2.389 308 D HA 0.531 5.173 4.640 0.004 0.000 0.247 308 D C 1.113 177.358 176.300 -0.092 0.000 1.128 308 D CA 0.738 54.698 54.000 -0.068 0.000 0.884 308 D CB 2.003 42.781 40.800 -0.037 0.000 1.194 308 D HN 0.821 nan 8.370 nan 0.000 0.441 309 A N 3.371 126.095 122.820 -0.160 0.000 2.125 309 A HA -0.036 4.286 4.320 0.004 0.000 0.219 309 A C 1.945 179.496 177.584 -0.056 0.000 1.156 309 A CA 1.526 53.428 52.037 -0.225 0.000 0.671 309 A CB -0.494 18.146 19.000 -0.600 0.000 0.794 309 A HN 0.625 nan 8.150 nan 0.000 0.459 310 A N -1.177 121.638 122.820 -0.009 0.000 2.169 310 A HA 0.124 4.447 4.320 0.004 0.000 0.212 310 A C 0.923 178.490 177.584 -0.027 0.000 1.153 310 A CA 1.096 53.139 52.037 0.010 0.000 0.756 310 A CB -0.148 18.864 19.000 0.021 0.000 0.813 310 A HN 0.427 nan 8.150 nan 0.000 0.471 311 N N -1.109 117.555 118.700 -0.060 0.000 2.732 311 N HA 0.152 4.894 4.740 0.004 0.000 0.230 311 N C -2.679 172.795 175.510 -0.060 0.000 1.487 311 N CA -0.893 52.085 53.050 -0.120 0.000 0.765 311 N CB 1.134 39.457 38.487 -0.275 0.000 1.384 311 N HN 0.007 nan 8.380 nan 0.000 0.530 312 P HA 0.186 nan 4.420 nan 0.000 0.253 312 P C 0.775 178.252 177.300 0.295 0.000 1.260 312 P CA 0.078 63.265 63.100 0.145 0.000 0.800 312 P CB -0.034 31.702 31.700 0.060 0.000 1.162 313 G N 2.182 111.113 108.800 0.218 0.000 2.614 313 G HA2 0.085 4.047 3.960 0.004 0.000 0.239 313 G HA3 0.085 4.047 3.960 0.004 0.000 0.239 313 G C -1.549 173.132 174.900 -0.366 0.000 1.240 313 G CA -0.877 44.245 45.100 0.036 0.000 0.842 313 G HN -0.002 nan 8.290 nan 0.000 0.584 314 P HA -0.172 nan 4.420 nan 0.000 0.216 314 P C 1.976 178.682 177.300 -0.990 0.000 1.150 314 P CA 2.071 64.107 63.100 -1.774 0.000 0.843 314 P CB 0.175 31.103 31.700 -1.286 0.000 0.787 315 A N -1.325 121.087 122.820 -0.681 0.000 2.121 315 A HA -0.183 4.139 4.320 0.004 0.000 0.218 315 A C 1.398 178.631 177.584 -0.586 0.000 1.154 315 A CA 1.412 53.093 52.037 -0.593 0.000 0.679 315 A CB -1.467 17.162 19.000 -0.617 0.000 0.795 315 A HN 0.344 nan 8.150 nan 0.000 0.458 316 H N -3.268 115.709 119.070 -0.154 0.000 2.586 316 H HA 0.092 4.650 4.556 0.004 0.000 0.273 316 H C -0.348 175.057 175.328 0.129 0.000 0.997 316 H CA -0.529 55.513 56.048 -0.010 0.000 1.177 316 H CB 0.140 29.910 29.762 0.013 0.000 1.471 316 H HN 0.530 nan 8.280 nan 0.000 0.538 317 W N 2.402 123.691 121.300 -0.019 0.000 2.210 317 W HA 0.241 4.903 4.660 0.003 0.000 0.330 317 W C 0.337 176.820 176.519 -0.060 0.000 1.334 317 W CA -0.514 56.799 57.345 -0.052 0.000 1.227 317 W CB 0.226 29.643 29.460 -0.072 0.000 1.178 317 W HN 0.007 nan 8.180 nan 0.000 0.560 318 R N 1.971 122.550 120.500 0.131 0.000 2.534 318 R HA 0.189 4.531 4.340 0.004 0.000 0.301 318 R C -0.704 175.589 176.300 -0.012 0.000 0.961 318 R CA -1.185 54.942 56.100 0.045 0.000 0.871 318 R CB 1.296 31.605 30.300 0.013 0.000 1.170 318 R HN 0.330 nan 8.270 nan 0.000 0.446 319 D N 2.306 122.702 120.400 -0.007 0.000 2.458 319 D HA -0.031 4.611 4.640 0.004 0.000 0.243 319 D C 0.973 177.233 176.300 -0.067 0.000 1.146 319 D CA 0.066 54.042 54.000 -0.039 0.000 0.877 319 D CB 1.171 41.958 40.800 -0.021 0.000 1.176 319 D HN 0.261 nan 8.370 nan 0.000 0.461 320 L N 2.958 124.116 121.223 -0.108 0.000 2.433 320 L HA 0.321 4.664 4.340 0.004 0.000 0.200 320 L C 0.306 177.082 176.870 -0.156 0.000 1.059 320 L CA 0.725 55.495 54.840 -0.117 0.000 0.835 320 L CB 0.465 42.440 42.059 -0.139 0.000 1.076 320 L HN 0.352 nan 8.230 nan 0.000 0.481 321 I N 1.341 121.791 120.570 -0.201 0.000 2.466 321 I HA 0.317 4.489 4.170 0.004 0.000 0.279 321 I C -2.305 173.744 176.117 -0.114 0.000 1.033 321 I CA -1.854 59.299 61.300 -0.245 0.000 1.123 321 I CB 1.419 39.168 38.000 -0.418 0.000 1.237 321 I HN 0.008 nan 8.210 nan 0.000 0.460 322 P HA 0.012 nan 4.420 nan 0.000 0.270 322 P C -0.192 177.111 177.300 0.005 0.000 1.223 322 P CA -0.248 62.840 63.100 -0.020 0.000 0.785 322 P CB 0.602 32.297 31.700 -0.008 0.000 0.923 323 E N 1.972 122.180 120.200 0.013 0.000 2.415 323 E HA 0.006 4.358 4.350 0.004 0.000 0.262 323 E C -0.201 176.419 176.600 0.033 0.000 1.038 323 E CA 0.144 56.564 56.400 0.034 0.000 0.921 323 E CB 0.406 30.122 29.700 0.028 0.000 0.950 323 E HN 0.274 nan 8.360 nan 0.000 0.438 324 R N 1.686 122.218 120.500 0.053 0.000 3.029 324 R HA 0.193 4.535 4.340 0.004 0.000 0.239 324 R C 0.862 177.170 176.300 0.014 0.000 1.351 324 R CA -0.846 55.254 56.100 -0.001 0.000 1.052 324 R CB 0.474 30.717 30.300 -0.095 0.000 1.354 324 R HN 0.504 nan 8.270 nan 0.000 0.499 325 Q N 0.472 120.263 119.800 -0.016 0.000 2.435 325 Q HA 0.004 4.346 4.340 0.004 0.000 0.207 325 Q C -0.239 175.785 176.000 0.040 0.000 0.956 325 Q CA 1.090 56.899 55.803 0.009 0.000 0.917 325 Q CB 0.284 29.015 28.738 -0.011 0.000 0.997 325 Q HN 0.337 nan 8.270 nan 0.000 0.497 326 Q N -0.476 119.349 119.800 0.041 0.000 2.266 326 Q HA 0.354 4.697 4.340 0.004 0.000 0.261 326 Q C -0.714 175.405 176.000 0.199 0.000 0.985 326 Q CA -0.447 55.419 55.803 0.105 0.000 0.873 326 Q CB 2.144 30.942 28.738 0.101 0.000 1.306 326 Q HN -0.135 nan 8.270 nan 0.000 0.447 327 V N 2.613 122.606 119.914 0.131 0.000 2.585 327 V HA 0.079 4.201 4.120 0.004 0.000 0.296 327 V C -0.264 175.863 176.094 0.055 0.000 1.035 327 V CA -0.254 62.094 62.300 0.080 0.000 1.084 327 V CB 0.309 32.142 31.823 0.016 0.000 0.953 327 V HN 0.592 nan 8.190 nan 0.000 0.483 328 L N 6.215 127.413 121.223 -0.041 0.000 2.309 328 L HA 0.809 5.151 4.340 0.004 0.000 0.282 328 L C 0.241 176.956 176.870 -0.258 0.000 1.036 328 L CA 0.474 55.136 54.840 -0.298 0.000 0.806 328 L CB 1.953 43.861 42.059 -0.251 0.000 1.220 328 L HN 0.867 nan 8.230 nan 0.000 0.429 329 T N 1.883 116.239 114.554 -0.330 0.000 2.893 329 T HA 0.784 5.136 4.350 0.004 0.000 0.293 329 T C -0.833 173.648 174.700 -0.365 0.000 1.027 329 T CA -0.760 61.168 62.100 -0.288 0.000 0.988 329 T CB 1.528 70.260 68.868 -0.227 0.000 1.043 329 T HN 0.414 nan 8.240 nan 0.000 0.461 330 V N 3.102 122.782 119.914 -0.391 0.000 2.680 330 V HA 0.564 4.686 4.120 0.004 0.000 0.309 330 V C -0.651 175.194 176.094 -0.414 0.000 1.052 330 V CA -0.805 61.299 62.300 -0.327 0.000 0.908 330 V CB 1.744 33.433 31.823 -0.223 0.000 1.001 330 V HN 0.959 nan 8.190 nan 0.000 0.431 331 H N 1.732 120.840 119.070 0.064 0.000 2.797 331 H HA 0.745 5.303 4.556 0.004 0.000 0.372 331 H C -0.539 174.940 175.328 0.251 0.000 1.168 331 H CA -0.573 55.567 56.048 0.154 0.000 1.163 331 H CB 2.409 32.294 29.762 0.205 0.000 1.778 331 H HN 0.710 nan 8.280 nan 0.000 0.551 332 S N 0.456 116.389 115.700 0.388 0.000 2.549 332 S HA 0.820 5.293 4.470 0.004 0.000 0.280 332 S C -0.217 174.659 174.600 0.459 0.000 1.109 332 S CA -0.605 57.836 58.200 0.402 0.000 0.905 332 S CB 2.683 66.029 63.200 0.244 0.000 1.081 332 S HN 1.026 nan 8.310 nan 0.000 0.477 333 G N -0.042 109.107 108.800 0.582 0.000 2.596 333 G HA2 0.502 4.464 3.960 0.004 0.000 0.296 333 G HA3 0.502 4.464 3.960 0.004 0.000 0.296 333 G C -0.170 175.068 174.900 0.563 0.000 1.513 333 G CA -0.164 45.231 45.100 0.491 0.000 0.851 333 G HN 1.596 nan 8.290 nan 0.000 0.548 334 S N -1.023 114.918 115.700 0.402 0.000 3.473 334 S HA -0.068 4.404 4.470 0.004 0.000 0.339 334 S C 1.949 176.697 174.600 0.248 0.000 1.148 334 S CA 2.380 60.793 58.200 0.355 0.000 0.969 334 S CB -1.274 62.193 63.200 0.445 0.000 0.936 334 S HN 2.904 nan 8.310 nan 0.000 0.530 335 G N -1.477 107.421 108.800 0.163 0.000 2.132 335 G HA2 -0.293 3.669 3.960 0.004 0.000 0.234 335 G HA3 -0.293 3.669 3.960 0.004 0.000 0.234 335 G C -0.285 174.469 174.900 -0.243 0.000 0.989 335 G CA 0.388 45.368 45.100 -0.200 0.000 0.676 335 G HN 0.708 nan 8.290 nan 0.000 0.522 336 Y N -1.239 119.292 120.300 0.385 0.000 2.576 336 Y HA 0.755 5.307 4.550 0.004 0.000 0.346 336 Y C 0.454 176.370 175.900 0.028 0.000 1.018 336 Y CA -1.198 57.007 58.100 0.175 0.000 1.050 336 Y CB 1.586 39.992 38.460 -0.089 0.000 1.280 336 Y HN 0.090 nan 8.280 nan 0.000 0.474 337 L N 2.238 123.391 121.223 -0.117 0.000 2.329 337 L HA 0.535 4.877 4.340 0.004 0.000 0.279 337 L C -1.478 175.159 176.870 -0.387 0.000 1.014 337 L CA -0.565 54.153 54.840 -0.203 0.000 0.814 337 L CB 1.263 43.141 42.059 -0.302 0.000 1.257 337 L HN 0.464 nan 8.230 nan 0.000 0.424 338 F N 1.733 121.726 119.950 0.072 0.000 2.427 338 F HA 0.554 5.083 4.527 0.003 0.000 0.348 338 F C 0.432 176.206 175.800 -0.044 0.000 1.125 338 F CA -0.632 57.357 58.000 -0.018 0.000 0.989 338 F CB 1.751 40.645 39.000 -0.178 0.000 1.165 338 F HN 0.420 nan 8.300 nan 0.000 0.442 339 A N 3.465 126.321 122.820 0.061 0.000 2.279 339 A HA 0.410 4.732 4.320 0.004 0.000 0.306 339 A C -0.240 177.212 177.584 -0.221 0.000 1.300 339 A CA -0.448 51.507 52.037 -0.137 0.000 0.925 339 A CB 0.288 19.242 19.000 -0.076 0.000 1.152 339 A HN 0.759 nan 8.150 nan 0.000 0.544 340 E N 2.699 122.713 120.200 -0.309 0.000 2.156 340 E HA 0.539 4.891 4.350 0.004 0.000 0.279 340 E C -1.427 174.919 176.600 -0.422 0.000 0.965 340 E CA -0.255 56.013 56.400 -0.220 0.000 0.789 340 E CB 0.738 30.439 29.700 0.001 0.000 1.098 340 E HN 0.652 nan 8.360 nan 0.000 0.397 344 D N 4.026 124.422 120.400 -0.008 0.000 2.697 344 D HA -0.258 4.384 4.640 0.004 0.000 0.235 344 D C 1.181 177.447 176.300 -0.056 0.000 1.167 344 D CA 1.792 55.813 54.000 0.035 0.000 0.656 344 D CB -0.733 40.268 40.800 0.336 0.000 1.025 344 D HN 1.891 nan 8.370 nan 0.000 0.419 345 A N -2.047 120.665 122.820 -0.179 0.000 3.396 345 A HA -0.261 4.061 4.320 0.004 0.000 0.267 345 A C 0.961 178.517 177.584 -0.046 0.000 1.139 345 A CA 2.403 54.370 52.037 -0.117 0.000 1.115 345 A CB -2.154 16.800 19.000 -0.076 0.000 1.133 345 A HN 1.141 nan 8.150 nan 0.000 0.920 346 T N -3.038 111.510 114.554 -0.011 0.000 2.930 346 T HA 0.876 5.228 4.350 0.004 0.000 0.290 346 T C -0.049 174.675 174.700 0.041 0.000 1.052 346 T CA 0.066 62.178 62.100 0.020 0.000 1.017 346 T CB 1.843 70.746 68.868 0.058 0.000 1.137 346 T HN 1.987 nan 8.240 nan 0.000 0.511 347 A N 1.784 124.643 122.820 0.064 0.000 2.316 347 A HA 0.781 5.104 4.320 0.004 0.000 0.284 347 A C 0.025 177.655 177.584 0.077 0.000 1.115 347 A CA -0.801 51.280 52.037 0.072 0.000 0.812 347 A CB 0.285 19.334 19.000 0.082 0.000 1.064 347 A HN 0.713 nan 8.150 nan 0.000 0.489 348 R N 0.674 121.215 120.500 0.068 0.000 2.686 348 R HA 0.639 4.981 4.340 0.004 0.000 0.283 348 R C -1.732 174.581 176.300 0.022 0.000 0.978 348 R CA -0.667 55.464 56.100 0.051 0.000 0.897 348 R CB 1.768 32.123 30.300 0.092 0.000 1.192 348 R HN 0.448 nan 8.270 nan 0.000 0.457 349 V N 2.043 121.911 119.914 -0.077 0.000 2.638 349 V HA 0.419 4.541 4.120 0.004 0.000 0.306 349 V C -0.373 175.648 176.094 -0.123 0.000 1.052 349 V CA -0.807 61.385 62.300 -0.181 0.000 0.885 349 V CB 2.417 33.906 31.823 -0.558 0.000 0.999 349 V HN 0.630 nan 8.190 nan 0.000 0.424 350 E N 2.759 122.956 120.200 -0.004 0.000 2.199 350 E HA 0.455 4.807 4.350 0.004 0.000 0.269 350 E C -0.993 175.577 176.600 -0.050 0.000 0.899 350 E CA -0.629 55.766 56.400 -0.008 0.000 0.772 350 E CB 2.742 32.540 29.700 0.164 0.000 1.155 350 E HN 0.675 nan 8.360 nan 0.000 0.408 351 Q N 3.406 123.062 119.800 -0.239 0.000 2.290 351 Q HA 0.388 4.730 4.340 0.004 0.000 0.259 351 Q C -1.517 174.242 176.000 -0.400 0.000 0.941 351 Q CA -0.340 55.229 55.803 -0.390 0.000 0.912 351 Q CB 0.643 29.190 28.738 -0.318 0.000 1.244 351 Q HN 0.407 nan 8.270 nan 0.000 0.441 352 F N 1.896 121.691 119.950 -0.257 0.000 2.561 352 F HA 0.287 4.817 4.527 0.004 0.000 0.321 352 F C 0.079 175.906 175.800 0.045 0.000 1.065 352 F CA -0.793 57.158 58.000 -0.081 0.000 0.934 352 F CB 1.538 40.481 39.000 -0.095 0.000 1.215 352 F HN 0.659 nan 8.300 nan 0.000 0.471 353 D N -0.372 120.206 120.400 0.296 0.000 2.432 353 D HA 0.087 4.729 4.640 0.004 0.000 0.258 353 D C 0.136 176.578 176.300 0.238 0.000 1.146 353 D CA -0.304 53.853 54.000 0.263 0.000 1.015 353 D CB 0.327 41.239 40.800 0.187 0.000 1.107 353 D HN 0.433 nan 8.370 nan 0.000 0.529 354 Y N -1.058 119.236 120.300 -0.011 0.000 2.632 354 Y HA 0.077 4.629 4.550 0.003 0.000 0.301 354 Y C 1.188 177.188 175.900 0.167 0.000 1.172 354 Y CA 0.547 58.656 58.100 0.015 0.000 1.328 354 Y CB -0.059 38.319 38.460 -0.137 0.000 1.016 354 Y HN 0.399 nan 8.280 nan 0.000 0.529 355 E N -1.114 119.233 120.200 0.245 0.000 2.474 355 E HA 0.228 4.580 4.350 0.004 0.000 0.195 355 E C 1.745 178.439 176.600 0.156 0.000 1.039 355 E CA 0.567 57.077 56.400 0.183 0.000 0.881 355 E CB 0.125 29.903 29.700 0.130 0.000 0.970 355 E HN 0.298 nan 8.360 nan 0.000 0.486 356 G N 1.232 110.144 108.800 0.186 0.000 2.157 356 G HA2 -0.347 3.616 3.960 0.004 0.000 0.248 356 G HA3 -0.347 3.616 3.960 0.004 0.000 0.248 356 G C 0.281 175.376 174.900 0.325 0.000 0.979 356 G CA 0.263 45.480 45.100 0.194 0.000 0.650 356 G HN 0.237 nan 8.290 nan 0.000 0.529 357 K N 0.678 121.235 120.400 0.261 0.000 2.234 357 K HA 0.444 4.766 4.320 0.004 0.000 0.282 357 K C 0.735 177.382 176.600 0.079 0.000 1.039 357 K CA -0.828 55.563 56.287 0.173 0.000 0.928 357 K CB 0.422 32.980 32.500 0.096 0.000 1.039 357 K HN 0.268 nan 8.250 nan 0.000 0.470 358 R N 3.788 124.197 120.500 -0.153 0.000 2.370 358 R HA 0.043 4.385 4.340 0.004 0.000 0.309 358 R C 0.501 176.581 176.300 -0.366 0.000 1.059 358 R CA -0.243 55.422 56.100 -0.725 0.000 0.981 358 R CB 0.629 30.511 30.300 -0.696 0.000 0.972 358 R HN 0.546 nan 8.270 nan 0.000 0.437 359 V N 5.218 124.920 119.914 -0.353 0.000 2.446 359 V HA 0.010 4.133 4.120 0.004 0.000 0.244 359 V C 0.715 176.705 176.094 -0.173 0.000 1.039 359 V CA 1.510 63.705 62.300 -0.176 0.000 1.045 359 V CB -0.705 31.041 31.823 -0.129 0.000 0.681 359 V HN 0.928 nan 8.190 nan 0.000 0.459 360 R N 0.072 120.437 120.500 -0.226 0.000 2.829 360 R HA 0.391 4.733 4.340 0.004 0.000 0.283 360 R C -1.189 175.013 176.300 -0.163 0.000 1.013 360 R CA -0.784 55.225 56.100 -0.150 0.000 0.848 360 R CB 1.324 31.583 30.300 -0.069 0.000 1.291 360 R HN 0.118 nan 8.270 nan 0.000 0.496 361 E N 1.450 121.586 120.200 -0.108 0.000 2.197 361 E HA 0.363 4.716 4.350 0.004 0.000 0.281 361 E C -0.875 175.683 176.600 -0.070 0.000 0.995 361 E CA -0.894 55.450 56.400 -0.093 0.000 0.808 361 E CB 1.776 31.436 29.700 -0.067 0.000 1.093 361 E HN 0.390 nan 8.360 nan 0.000 0.394 362 V N 3.514 123.361 119.914 -0.112 0.000 2.555 362 V HA 0.279 4.401 4.120 0.004 0.000 0.286 362 V C 0.356 176.387 176.094 -0.105 0.000 1.044 362 V CA -0.140 62.091 62.300 -0.116 0.000 1.026 362 V CB 0.956 32.560 31.823 -0.365 0.000 0.981 362 V HN 0.824 nan 8.190 nan 0.000 0.480 363 A N 7.183 129.979 122.820 -0.039 0.000 2.539 363 A HA 0.539 4.861 4.320 0.004 0.000 0.306 363 A C -0.039 177.483 177.584 -0.103 0.000 1.392 363 A CA -0.316 51.689 52.037 -0.053 0.000 1.060 363 A CB -0.464 18.527 19.000 -0.015 0.000 1.134 363 A HN 0.806 nan 8.150 nan 0.000 0.542 364 L N 2.934 124.064 121.223 -0.156 0.000 2.453 364 L HA 0.214 4.556 4.340 0.004 0.000 0.261 364 L C -1.136 175.526 176.870 -0.347 0.000 1.179 364 L CA -1.610 53.083 54.840 -0.245 0.000 0.813 364 L CB 0.457 42.405 42.059 -0.185 0.000 1.110 364 L HN 0.449 nan 8.230 nan 0.000 0.466 365 P HA 0.008 nan 4.420 nan 0.000 0.231 365 P C 0.327 177.306 177.300 -0.535 0.000 1.158 365 P CA 0.561 63.261 63.100 -0.668 0.000 0.763 365 P CB 0.251 31.371 31.700 -0.968 0.000 0.805 366 G N -1.853 106.659 108.800 -0.481 0.000 2.368 366 G HA2 0.152 4.114 3.960 0.004 0.000 0.269 366 G HA3 0.152 4.114 3.960 0.004 0.000 0.269 366 G C -1.938 173.061 174.900 0.166 0.000 1.291 366 G CA -0.884 44.170 45.100 -0.076 0.000 0.903 366 G HN -0.023 nan 8.290 nan 0.000 0.483 367 L N 1.616 123.014 121.223 0.291 0.000 2.257 367 L HA 0.686 5.028 4.340 0.004 0.000 0.290 367 L C 0.913 177.965 176.870 0.303 0.000 1.044 367 L CA 0.304 55.302 54.840 0.263 0.000 0.810 367 L CB 0.540 42.694 42.059 0.158 0.000 1.193 367 L HN 1.180 nan 8.230 nan 0.000 0.425 368 G N 1.789 110.731 108.800 0.237 0.000 2.588 368 G HA2 0.419 4.381 3.960 0.004 0.000 0.281 368 G HA3 0.419 4.381 3.960 0.004 0.000 0.281 368 G C -1.570 173.227 174.900 -0.173 0.000 1.223 368 G CA -0.300 44.687 45.100 -0.189 0.000 0.871 368 G HN 0.357 nan 8.290 nan 0.000 0.492 369 S N -0.447 115.034 115.700 -0.366 0.000 2.500 369 S HA 0.740 5.212 4.470 0.004 0.000 0.301 369 S C -0.116 174.427 174.600 -0.095 0.000 1.092 369 S CA -0.366 57.733 58.200 -0.168 0.000 1.030 369 S CB 1.567 64.661 63.200 -0.177 0.000 1.031 369 S HN 1.503 nan 8.310 nan 0.000 0.483 370 V N 0.367 120.320 119.914 0.065 0.000 3.019 370 V HA 1.032 5.154 4.120 0.004 0.000 0.317 370 V C -0.357 175.814 176.094 0.128 0.000 1.094 370 V CA -0.829 61.580 62.300 0.182 0.000 1.000 370 V CB 1.648 33.631 31.823 0.268 0.000 1.060 370 V HN 0.952 nan 8.190 nan 0.000 0.443 371 S N 0.227 116.015 115.700 0.146 0.000 2.588 371 S HA 1.030 5.502 4.470 0.004 0.000 0.275 371 S C 0.124 174.744 174.600 0.033 0.000 1.130 371 S CA 0.019 58.267 58.200 0.080 0.000 0.855 371 S CB 1.225 64.467 63.200 0.071 0.000 1.116 371 S HN 2.862 nan 8.310 nan 0.000 0.472 372 G N 0.746 109.522 108.800 -0.040 0.000 2.451 372 G HA2 0.229 4.191 3.960 0.004 0.000 0.208 372 G HA3 0.229 4.191 3.960 0.004 0.000 0.208 372 G C -0.157 174.601 174.900 -0.237 0.000 1.248 372 G CA -0.050 44.983 45.100 -0.111 0.000 0.989 372 G HN 1.752 nan 8.290 nan 0.000 0.559 373 F N -0.099 119.689 119.950 -0.269 0.000 2.988 373 F HA -0.191 4.338 4.527 0.003 0.000 0.287 373 F C 0.736 176.417 175.800 -0.199 0.000 0.781 373 F CA 1.241 58.939 58.000 -0.504 0.000 1.221 373 F CB -1.728 36.737 39.000 -0.892 0.000 1.392 373 F HN 0.609 nan 8.300 nan 0.000 0.425 374 N N -0.062 118.679 118.700 0.067 0.000 2.408 374 N HA 0.690 5.432 4.740 0.004 0.000 0.280 374 N C 0.375 175.977 175.510 0.154 0.000 1.002 374 N CA 0.089 53.238 53.050 0.164 0.000 0.907 374 N CB 1.772 40.347 38.487 0.147 0.000 1.161 374 N HN 0.347 nan 8.380 nan 0.000 0.488 375 G N 0.755 109.668 108.800 0.189 0.000 2.600 375 G HA2 0.334 4.296 3.960 0.004 0.000 0.293 375 G HA3 0.334 4.296 3.960 0.004 0.000 0.293 375 G C -1.258 173.732 174.900 0.150 0.000 1.408 375 G CA -0.693 44.513 45.100 0.176 0.000 0.782 375 G HN 0.310 nan 8.290 nan 0.000 0.482 376 K N -0.833 119.639 120.400 0.119 0.000 2.102 376 K HA 0.297 4.619 4.320 0.004 0.000 0.244 376 K C 1.048 177.723 176.600 0.124 0.000 1.021 376 K CA -0.480 55.835 56.287 0.048 0.000 0.913 376 K CB 1.022 33.546 32.500 0.040 0.000 1.062 376 K HN 0.662 nan 8.250 nan 0.000 0.485 377 H N 0.541 119.661 119.070 0.083 0.000 2.353 377 H HA -0.163 4.395 4.556 0.004 0.000 0.298 377 H C 1.025 176.378 175.328 0.041 0.000 1.103 377 H CA 1.537 57.608 56.048 0.040 0.000 1.293 377 H CB 0.208 29.960 29.762 -0.016 0.000 1.372 377 H HN 0.641 nan 8.280 nan 0.000 0.501 378 D N 0.199 120.705 120.400 0.176 0.000 2.342 378 D HA -0.027 4.615 4.640 0.004 0.000 0.221 378 D C -0.406 175.960 176.300 0.111 0.000 1.101 378 D CA -0.153 53.916 54.000 0.115 0.000 0.837 378 D CB -0.344 40.505 40.800 0.082 0.000 0.938 378 D HN 0.082 nan 8.370 nan 0.000 0.508 379 D N 2.448 122.930 120.400 0.137 0.000 2.450 379 D HA 0.021 4.663 4.640 0.004 0.000 0.247 379 D C -0.972 175.409 176.300 0.134 0.000 1.162 379 D CA -1.253 52.831 54.000 0.141 0.000 0.879 379 D CB 1.571 42.473 40.800 0.170 0.000 1.163 379 D HN 0.109 nan 8.370 nan 0.000 0.472 380 P HA -0.006 nan 4.420 nan 0.000 0.222 380 P C -0.258 177.074 177.300 0.053 0.000 1.153 380 P CA 0.578 63.727 63.100 0.082 0.000 0.798 380 P CB 0.639 32.381 31.700 0.070 0.000 0.796 381 A N -0.827 122.016 122.820 0.038 0.000 2.556 381 A HA 0.710 5.032 4.320 0.004 0.000 0.294 381 A C -1.224 176.306 177.584 -0.090 0.000 1.091 381 A CA -0.678 51.313 52.037 -0.077 0.000 0.704 381 A CB 0.890 19.753 19.000 -0.227 0.000 1.300 381 A HN -0.011 nan 8.150 nan 0.000 0.406 382 L N 0.147 121.284 121.223 -0.143 0.000 2.319 382 L HA 0.664 5.006 4.340 0.004 0.000 0.267 382 L C -1.313 175.289 176.870 -0.447 0.000 1.011 382 L CA -0.717 54.058 54.840 -0.110 0.000 0.818 382 L CB 1.868 43.967 42.059 0.068 0.000 1.316 382 L HN 0.782 nan 8.230 nan 0.000 0.432 383 Y N 0.900 121.138 120.300 -0.104 0.000 2.524 383 Y HA 0.644 5.196 4.550 0.004 0.000 0.344 383 Y C -0.406 175.355 175.900 -0.233 0.000 1.012 383 Y CA -0.734 57.262 58.100 -0.174 0.000 1.068 383 Y CB 2.071 40.415 38.460 -0.194 0.000 1.249 383 Y HN 0.380 nan 8.280 nan 0.000 0.468 384 F N -0.994 118.810 119.950 -0.242 0.000 2.631 384 F HA 0.943 5.472 4.527 0.003 0.000 0.308 384 F C -0.494 175.306 175.800 -0.001 0.000 1.097 384 F CA -1.360 56.425 58.000 -0.359 0.000 0.952 384 F CB 1.212 39.619 39.000 -0.989 0.000 1.307 384 F HN 0.587 nan 8.300 nan 0.000 0.450 385 G N 1.205 110.115 108.800 0.184 0.000 2.417 385 G HA2 0.640 4.602 3.960 0.004 0.000 0.334 385 G HA3 0.640 4.602 3.960 0.004 0.000 0.334 385 G C -2.427 172.703 174.900 0.384 0.000 1.150 385 G CA -0.832 44.379 45.100 0.186 0.000 0.923 385 G HN 0.862 nan 8.290 nan 0.000 0.485 386 F N 0.748 120.822 119.950 0.207 0.000 2.608 386 F HA 0.642 5.172 4.527 0.004 0.000 0.309 386 F C -0.600 175.273 175.800 0.121 0.000 1.103 386 F CA -0.754 57.371 58.000 0.208 0.000 0.954 386 F CB 2.071 41.232 39.000 0.268 0.000 1.267 386 F HN 0.762 nan 8.300 nan 0.000 0.444 387 E N 3.219 122.913 120.200 -0.842 0.000 2.416 387 E HA 0.565 4.918 4.350 0.004 0.000 0.280 387 E C -2.113 174.044 176.600 -0.739 0.000 1.055 387 E CA -1.047 55.019 56.400 -0.557 0.000 0.825 387 E CB 2.468 32.035 29.700 -0.223 0.000 1.312 387 E HN 0.649 nan 8.360 nan 0.000 0.452 388 N N -0.602 117.866 118.700 -0.386 0.000 3.344 388 N HA 0.164 4.906 4.740 0.004 0.000 0.296 388 N C -0.415 174.979 175.510 -0.193 0.000 1.571 388 N CA -0.808 52.022 53.050 -0.367 0.000 0.844 388 N CB -0.420 37.925 38.487 -0.238 0.000 1.718 388 N HN 0.453 nan 8.380 nan 0.000 0.589 389 Y N -0.889 119.421 120.300 0.017 0.000 2.403 389 Y HA 0.202 4.755 4.550 0.004 0.000 0.291 389 Y C 2.050 177.966 175.900 0.026 0.000 1.143 389 Y CA 1.630 59.735 58.100 0.009 0.000 1.257 389 Y CB -0.446 38.042 38.460 0.045 0.000 0.984 389 Y HN 0.739 nan 8.280 nan 0.000 0.550 390 A N -1.023 121.905 122.820 0.180 0.000 2.288 390 A HA 0.118 4.441 4.320 0.004 0.000 0.216 390 A C 0.680 178.337 177.584 0.121 0.000 1.199 390 A CA -0.106 52.004 52.037 0.122 0.000 0.891 390 A CB 0.146 19.244 19.000 0.163 0.000 0.923 390 A HN 0.315 nan 8.150 nan 0.000 0.500 391 Q N 0.819 120.674 119.800 0.092 0.000 2.327 391 Q HA 0.412 4.755 4.340 0.004 0.000 0.270 391 Q C -3.006 172.808 176.000 -0.309 0.000 1.022 391 Q CA -2.502 53.277 55.803 -0.040 0.000 0.773 391 Q CB 2.276 31.093 28.738 0.132 0.000 1.251 391 Q HN 0.064 nan 8.270 nan 0.000 0.457 392 P HA 0.102 nan 4.420 nan 0.000 0.269 392 P C -2.571 174.513 177.300 -0.361 0.000 1.215 392 P CA -0.986 61.464 63.100 -1.083 0.000 0.780 392 P CB 0.044 31.097 31.700 -1.079 0.000 0.898 393 P HA 0.000 nan 4.420 nan 0.000 0.260 393 P C -0.662 176.610 177.300 -0.045 0.000 1.172 393 P CA 1.001 64.068 63.100 -0.055 0.000 0.760 393 P CB -0.012 31.689 31.700 0.001 0.000 0.773 394 T N 4.161 118.727 114.554 0.020 0.000 2.876 394 T HA 0.515 4.867 4.350 0.004 0.000 0.289 394 T C -0.257 174.384 174.700 -0.098 0.000 1.014 394 T CA -0.617 61.445 62.100 -0.063 0.000 0.986 394 T CB 0.851 69.707 68.868 -0.021 0.000 1.021 394 T HN 0.117 nan 8.240 nan 0.000 0.458 395 L N 2.904 123.977 121.223 -0.249 0.000 2.309 395 L HA 0.591 4.933 4.340 0.004 0.000 0.282 395 L C -1.138 175.453 176.870 -0.464 0.000 1.036 395 L CA -0.889 53.833 54.840 -0.198 0.000 0.806 395 L CB 0.894 42.958 42.059 0.008 0.000 1.220 395 L HN 0.657 nan 8.230 nan 0.000 0.429 396 Y N 1.668 121.732 120.300 -0.393 0.000 2.524 396 Y HA 0.517 5.070 4.550 0.004 0.000 0.344 396 Y C -0.075 175.605 175.900 -0.366 0.000 1.012 396 Y CA -0.792 57.011 58.100 -0.494 0.000 1.068 396 Y CB 2.011 39.773 38.460 -1.163 0.000 1.249 396 Y HN 0.441 nan 8.280 nan 0.000 0.468 397 R N 2.537 123.014 120.500 -0.039 0.000 2.393 397 R HA 0.463 4.805 4.340 0.004 0.000 0.310 397 R C -2.012 174.292 176.300 0.005 0.000 0.968 397 R CA -0.537 55.417 56.100 -0.244 0.000 0.867 397 R CB 0.753 30.928 30.300 -0.208 0.000 1.124 397 R HN 0.669 nan 8.270 nan 0.000 0.450 398 F N 3.663 123.496 119.950 -0.194 0.000 2.467 398 F HA 0.335 4.864 4.527 0.004 0.000 0.336 398 F C -0.683 175.080 175.800 -0.061 0.000 1.123 398 F CA -0.811 57.185 58.000 -0.006 0.000 0.964 398 F CB 1.547 40.599 39.000 0.086 0.000 1.136 398 F HN 0.432 nan 8.300 nan 0.000 0.447 399 E N 7.975 127.812 120.200 -0.605 0.000 2.044 399 E HA 0.208 4.560 4.350 0.004 0.000 0.282 399 E C -2.044 174.093 176.600 -0.772 0.000 1.031 399 E CA -2.077 54.039 56.400 -0.473 0.000 0.824 399 E CB 1.133 30.656 29.700 -0.296 0.000 1.076 399 E HN 0.444 nan 8.360 nan 0.000 0.395 400 P HA -0.214 nan 4.420 nan 0.000 0.216 400 P C 1.374 178.498 177.300 -0.294 0.000 1.157 400 P CA 1.527 64.489 63.100 -0.231 0.000 0.880 400 P CB 0.436 32.289 31.700 0.254 0.000 0.791 401 K N -0.343 119.992 120.400 -0.109 0.000 2.062 401 K HA -0.068 4.254 4.320 0.004 0.000 0.205 401 K C 2.139 178.669 176.600 -0.117 0.000 1.051 401 K CA 1.721 57.979 56.287 -0.048 0.000 0.941 401 K CB -0.241 32.290 32.500 0.052 0.000 0.719 401 K HN 0.140 nan 8.250 nan 0.000 0.440 402 S N -1.294 114.310 115.700 -0.160 0.000 2.478 402 S HA 0.114 4.586 4.470 0.004 0.000 0.222 402 S C 1.462 175.959 174.600 -0.171 0.000 1.008 402 S CA 0.586 58.705 58.200 -0.136 0.000 0.928 402 S CB 0.283 63.416 63.200 -0.112 0.000 0.781 402 S HN 0.529 nan 8.310 nan 0.000 0.518 403 G N 1.148 109.741 108.800 -0.345 0.000 2.179 403 G HA2 -0.146 3.816 3.960 0.004 0.000 0.260 403 G HA3 -0.146 3.816 3.960 0.004 0.000 0.260 403 G C 0.290 175.088 174.900 -0.170 0.000 0.977 403 G CA 0.067 44.999 45.100 -0.279 0.000 0.641 403 G HN 1.337 nan 8.290 nan 0.000 0.533 404 A N -0.190 122.504 122.820 -0.210 0.000 2.462 404 A HA 0.649 4.972 4.320 0.004 0.000 0.243 404 A C 0.370 177.952 177.584 -0.003 0.000 1.076 404 A CA 0.481 52.474 52.037 -0.073 0.000 0.773 404 A CB 0.275 19.230 19.000 -0.074 0.000 1.010 404 A HN 0.861 nan 8.150 nan 0.000 0.493 405 I N 1.786 122.429 120.570 0.122 0.000 2.509 405 I HA 0.457 4.629 4.170 0.004 0.000 0.293 405 I C 0.150 176.370 176.117 0.171 0.000 1.020 405 I CA -0.204 61.237 61.300 0.234 0.000 1.088 405 I CB 2.386 40.582 38.000 0.326 0.000 1.267 405 I HN 0.765 nan 8.210 nan 0.000 0.430 406 S N 5.713 121.524 115.700 0.184 0.000 2.549 406 S HA 0.609 5.081 4.470 0.004 0.000 0.280 406 S C -0.908 173.796 174.600 0.175 0.000 1.109 406 S CA -0.874 57.418 58.200 0.152 0.000 0.905 406 S CB 1.989 65.236 63.200 0.079 0.000 1.081 406 S HN 0.509 nan 8.310 nan 0.000 0.477 407 L N 2.949 124.222 121.223 0.083 0.000 2.462 407 L HA 0.317 4.659 4.340 0.004 0.000 0.272 407 L C 0.304 177.107 176.870 -0.111 0.000 1.166 407 L CA 0.308 55.041 54.840 -0.177 0.000 0.880 407 L CB 0.110 42.060 42.059 -0.183 0.000 1.142 407 L HN 0.884 nan 8.230 nan 0.000 0.473 408 Y N 5.001 125.118 120.300 -0.305 0.000 2.422 408 Y HA 0.412 4.965 4.550 0.004 0.000 0.291 408 Y C 0.328 176.102 175.900 -0.210 0.000 1.144 408 Y CA 0.321 58.320 58.100 -0.170 0.000 1.208 408 Y CB 0.526 38.961 38.460 -0.042 0.000 1.195 408 Y HN 0.478 nan 8.280 nan 0.000 0.535 409 R N 0.828 121.142 120.500 -0.311 0.000 2.510 409 R HA 0.539 4.881 4.340 0.004 0.000 0.294 409 R C -0.888 175.247 176.300 -0.276 0.000 1.056 409 R CA -0.361 55.537 56.100 -0.338 0.000 0.918 409 R CB 1.193 31.327 30.300 -0.276 0.000 1.187 409 R HN 0.243 nan 8.270 nan 0.000 0.437 410 A N 1.746 124.418 122.820 -0.246 0.000 2.332 410 A HA 0.347 4.669 4.320 0.004 0.000 0.258 410 A C 0.452 177.939 177.584 -0.163 0.000 1.087 410 A CA -0.114 51.802 52.037 -0.202 0.000 0.802 410 A CB 0.690 19.591 19.000 -0.164 0.000 1.042 410 A HN 0.608 nan 8.150 nan 0.000 0.489 411 S N -0.081 115.527 115.700 -0.153 0.000 2.576 411 S HA 0.392 4.865 4.470 0.004 0.000 0.276 411 S C 1.005 175.515 174.600 -0.151 0.000 1.339 411 S CA 0.016 58.130 58.200 -0.144 0.000 1.039 411 S CB 0.811 63.883 63.200 -0.213 0.000 0.902 411 S HN 1.475 nan 8.310 nan 0.000 0.516 412 A N 3.439 126.194 122.820 -0.109 0.000 2.275 412 A HA 0.579 4.901 4.320 0.004 0.000 0.212 412 A C 0.986 178.389 177.584 -0.300 0.000 1.201 412 A CA 0.293 52.268 52.037 -0.103 0.000 0.843 412 A CB -0.746 18.277 19.000 0.038 0.000 0.873 412 A HN 1.160 nan 8.150 nan 0.000 0.492 413 A N 1.674 124.108 122.820 -0.643 0.000 2.511 413 A HA 0.463 4.786 4.320 0.004 0.000 0.242 413 A C -1.696 175.631 177.584 -0.429 0.000 1.069 413 A CA -0.928 50.488 52.037 -1.035 0.000 0.763 413 A CB -0.143 18.334 19.000 -0.871 0.000 1.001 413 A HN 0.257 nan 8.150 nan 0.000 0.498 414 P HA 0.214 nan 4.420 nan 0.000 0.238 414 P C -1.161 175.627 177.300 -0.854 0.000 1.714 414 P CA 0.534 63.321 63.100 -0.522 0.000 0.908 414 P CB -0.777 30.649 31.700 -0.457 0.000 1.893 415 F N -0.210 119.716 119.950 -0.040 0.000 2.573 415 F HA 0.377 4.906 4.527 0.004 0.000 0.316 415 F C 0.563 176.420 175.800 0.095 0.000 1.148 415 F CA -0.969 57.096 58.000 0.108 0.000 0.940 415 F CB 2.279 41.358 39.000 0.132 0.000 1.214 415 F HN -0.318 nan 8.300 nan 0.000 0.448 416 K N 4.608 125.187 120.400 0.299 0.000 2.267 416 K HA 0.276 4.598 4.320 0.004 0.000 0.282 416 K C -1.984 174.761 176.600 0.240 0.000 1.078 416 K CA -1.540 54.840 56.287 0.156 0.000 0.903 416 K CB 1.273 33.795 32.500 0.036 0.000 1.111 416 K HN 0.202 nan 8.250 nan 0.000 0.475 417 P HA -0.291 nan 4.420 nan 0.000 0.216 417 P C 0.855 178.263 177.300 0.180 0.000 1.154 417 P CA 1.297 64.537 63.100 0.233 0.000 0.865 417 P CB 0.201 31.976 31.700 0.126 0.000 0.789 418 E N -0.657 119.590 120.200 0.078 0.000 2.401 418 E HA -0.196 4.156 4.350 0.004 0.000 0.199 418 E C 0.783 177.357 176.600 -0.042 0.000 1.023 418 E CA 1.145 57.562 56.400 0.028 0.000 0.859 418 E CB -0.980 28.726 29.700 0.010 0.000 0.780 418 E HN 0.296 nan 8.360 nan 0.000 0.523 419 D N -0.124 120.180 120.400 -0.160 0.000 2.347 419 D HA 0.022 4.664 4.640 0.004 0.000 0.213 419 D C -0.223 175.739 176.300 -0.564 0.000 0.985 419 D CA 0.573 54.321 54.000 -0.420 0.000 0.879 419 D CB 0.021 40.414 40.800 -0.679 0.000 0.919 419 D HN 0.237 nan 8.370 nan 0.000 0.526 420 Y N -0.692 119.648 120.300 0.065 0.000 2.509 420 Y HA 0.510 5.062 4.550 0.004 0.000 0.341 420 Y C 0.202 176.096 175.900 -0.010 0.000 1.038 420 Y CA -1.112 57.013 58.100 0.041 0.000 1.089 420 Y CB 1.705 40.201 38.460 0.060 0.000 1.241 420 Y HN -0.430 nan 8.280 nan 0.000 0.468 421 V N 1.035 120.962 119.914 0.023 0.000 2.680 421 V HA 0.631 4.753 4.120 0.004 0.000 0.309 421 V C -0.763 175.164 176.094 -0.278 0.000 1.052 421 V CA -0.718 61.493 62.300 -0.147 0.000 0.908 421 V CB 2.041 33.717 31.823 -0.245 0.000 1.001 421 V HN 0.746 nan 8.190 nan 0.000 0.431 422 S N 3.026 118.658 115.700 -0.113 0.000 2.733 422 S HA 0.558 5.030 4.470 0.004 0.000 0.294 422 S C -0.949 173.657 174.600 0.010 0.000 1.149 422 S CA -0.685 57.486 58.200 -0.048 0.000 1.034 422 S CB 0.879 64.130 63.200 0.086 0.000 1.015 422 S HN 0.934 nan 8.310 nan 0.000 0.486 423 E N 2.939 123.154 120.200 0.024 0.000 2.288 423 E HA 0.481 4.834 4.350 0.004 0.000 0.268 423 E C -0.942 175.703 176.600 0.076 0.000 0.885 423 E CA -1.017 55.438 56.400 0.093 0.000 0.767 423 E CB 1.532 31.335 29.700 0.173 0.000 1.220 423 E HN 0.478 nan 8.360 nan 0.000 0.427 424 Q N 2.366 122.204 119.800 0.064 0.000 2.290 424 Q HA 0.316 4.658 4.340 0.004 0.000 0.259 424 Q C -0.873 175.086 176.000 -0.067 0.000 0.941 424 Q CA -0.736 55.038 55.803 -0.047 0.000 0.912 424 Q CB 0.939 29.636 28.738 -0.067 0.000 1.244 424 Q HN 0.416 nan 8.270 nan 0.000 0.441 425 R N 2.599 122.981 120.500 -0.196 0.000 2.939 425 R HA 0.598 4.940 4.340 0.004 0.000 0.254 425 R C -1.181 174.823 176.300 -0.493 0.000 1.123 425 R CA -0.655 55.395 56.100 -0.084 0.000 1.020 425 R CB 1.105 31.499 30.300 0.156 0.000 1.206 425 R HN 0.601 nan 8.270 nan 0.000 0.491 426 F N 0.364 120.313 119.950 -0.001 0.000 2.591 426 F HA 0.426 4.955 4.527 0.004 0.000 0.309 426 F C -0.356 175.339 175.800 -0.175 0.000 1.098 426 F CA -0.840 57.111 58.000 -0.082 0.000 0.937 426 F CB 1.505 40.479 39.000 -0.043 0.000 1.250 426 F HN 0.458 nan 8.300 nan 0.000 0.447 427 Y N -0.820 119.395 120.300 -0.143 0.000 2.665 427 Y HA 0.759 5.311 4.550 0.004 0.000 0.336 427 Y C -1.403 174.501 175.900 0.006 0.000 1.085 427 Y CA -1.413 56.557 58.100 -0.217 0.000 1.096 427 Y CB 1.229 39.359 38.460 -0.549 0.000 1.301 427 Y HN 0.521 nan 8.280 nan 0.000 0.493 428 Q N 1.296 121.213 119.800 0.195 0.000 2.312 428 Q HA 0.468 4.811 4.340 0.004 0.000 0.263 428 Q C -0.715 175.410 176.000 0.209 0.000 0.995 428 Q CA -1.035 54.833 55.803 0.108 0.000 0.853 428 Q CB 2.332 31.134 28.738 0.106 0.000 1.300 428 Q HN 0.816 nan 8.270 nan 0.000 0.448 429 S N 0.867 116.635 115.700 0.114 0.000 2.661 429 S HA 0.099 4.571 4.470 0.004 0.000 0.265 429 S C 1.132 175.792 174.600 0.100 0.000 1.225 429 S CA -0.303 57.985 58.200 0.148 0.000 0.986 429 S CB 0.928 64.176 63.200 0.080 0.000 1.008 429 S HN 0.738 nan 8.310 nan 0.000 0.565 430 K N 0.552 121.003 120.400 0.086 0.000 2.034 430 K HA -0.209 4.113 4.320 0.004 0.000 0.214 430 K C 1.049 177.673 176.600 0.039 0.000 1.051 430 K CA 2.356 58.680 56.287 0.061 0.000 0.931 430 K CB -0.537 31.993 32.500 0.050 0.000 0.715 430 K HN 0.781 nan 8.250 nan 0.000 0.446 431 D N -1.723 118.689 120.400 0.021 0.000 2.336 431 D HA 0.031 4.674 4.640 0.004 0.000 0.229 431 D C 1.016 177.320 176.300 0.008 0.000 1.061 431 D CA 0.888 54.892 54.000 0.006 0.000 0.875 431 D CB 0.286 41.078 40.800 -0.015 0.000 0.904 431 D HN 0.523 nan 8.370 nan 0.000 0.525 432 G N -0.758 108.055 108.800 0.021 0.000 2.213 432 G HA2 -0.270 3.693 3.960 0.004 0.000 0.236 432 G HA3 -0.270 3.693 3.960 0.004 0.000 0.236 432 G C 0.512 175.418 174.900 0.010 0.000 0.991 432 G CA 0.150 45.262 45.100 0.020 0.000 0.629 432 G HN 0.460 nan 8.290 nan 0.000 0.517 433 T N 1.506 116.061 114.554 0.003 0.000 2.934 433 T HA 0.305 4.658 4.350 0.004 0.000 0.306 433 T C 0.685 175.385 174.700 -0.000 0.000 1.042 433 T CA 0.492 62.597 62.100 0.009 0.000 1.145 433 T CB 0.906 69.764 68.868 -0.015 0.000 0.982 433 T HN 0.538 nan 8.240 nan 0.000 0.544 434 R N 2.725 123.232 120.500 0.012 0.000 2.221 434 R HA 0.468 4.811 4.340 0.004 0.000 0.327 434 R C -1.280 175.045 176.300 0.042 0.000 1.033 434 R CA -0.405 55.679 56.100 -0.027 0.000 0.887 434 R CB 0.391 30.655 30.300 -0.059 0.000 1.057 434 R HN 0.423 nan 8.270 nan 0.000 0.455 435 V N 7.100 126.910 119.914 -0.173 0.000 2.540 435 V HA 0.420 4.542 4.120 0.004 0.000 0.302 435 V C -2.270 173.727 176.094 -0.162 0.000 1.035 435 V CA -2.338 59.888 62.300 -0.123 0.000 0.873 435 V CB 1.889 33.422 31.823 -0.483 0.000 0.992 435 V HN 0.820 nan 8.190 nan 0.000 0.428 436 P HA 0.478 nan 4.420 nan 0.000 0.274 436 P C -1.175 176.081 177.300 -0.073 0.000 1.231 436 P CA -0.401 62.589 63.100 -0.182 0.000 0.790 436 P CB 0.873 32.541 31.700 -0.054 0.000 0.951 437 L N 3.089 124.200 121.223 -0.187 0.000 2.516 437 L HA 0.488 4.831 4.340 0.004 0.000 0.267 437 L C -1.541 175.268 176.870 -0.102 0.000 0.957 437 L CA -0.255 54.568 54.840 -0.027 0.000 0.860 437 L CB 1.163 43.260 42.059 0.063 0.000 1.265 437 L HN 0.238 nan 8.230 nan 0.000 0.403 438 I N 6.183 126.723 120.570 -0.049 0.000 2.339 438 I HA 0.450 4.622 4.170 0.004 0.000 0.290 438 I C -0.561 175.521 176.117 -0.059 0.000 0.994 438 I CA -0.403 60.890 61.300 -0.012 0.000 1.191 438 I CB 1.380 39.454 38.000 0.123 0.000 1.343 438 I HN 0.491 nan 8.210 nan 0.000 0.458 439 I N 5.462 126.012 120.570 -0.033 0.000 2.378 439 I HA 0.387 4.559 4.170 0.004 0.000 0.291 439 I C -0.219 175.906 176.117 0.014 0.000 0.992 439 I CA -0.159 61.119 61.300 -0.036 0.000 1.154 439 I CB 1.761 39.691 38.000 -0.116 0.000 1.315 439 I HN 0.467 nan 8.210 nan 0.000 0.448 440 S N 5.004 120.735 115.700 0.051 0.000 2.568 440 S HA 0.867 5.339 4.470 0.004 0.000 0.293 440 S C -1.230 173.450 174.600 0.133 0.000 1.089 440 S CA -0.658 57.520 58.200 -0.038 0.000 0.945 440 S CB 1.958 65.209 63.200 0.084 0.000 1.077 440 S HN 0.594 nan 8.310 nan 0.000 0.485 441 Y N -1.533 118.890 120.300 0.205 0.000 2.810 441 Y HA 0.518 5.070 4.550 0.004 0.000 0.355 441 Y C -0.883 175.166 175.900 0.248 0.000 1.211 441 Y CA -1.449 56.767 58.100 0.194 0.000 1.112 441 Y CB 0.349 38.901 38.460 0.153 0.000 1.383 441 Y HN 0.388 nan 8.280 nan 0.000 0.458 442 R N 1.824 122.585 120.500 0.435 0.000 2.590 442 R HA 0.171 4.513 4.340 0.004 0.000 0.274 442 R C -0.276 176.185 176.300 0.269 0.000 1.061 442 R CA -0.475 55.771 56.100 0.242 0.000 1.081 442 R CB 0.815 31.182 30.300 0.110 0.000 0.984 442 R HN 0.781 nan 8.270 nan 0.000 0.448 443 K N 0.181 120.646 120.400 0.109 0.000 2.485 443 K HA -0.027 4.295 4.320 0.004 0.000 0.277 443 K C 0.640 177.308 176.600 0.114 0.000 0.990 443 K CA 1.420 57.790 56.287 0.138 0.000 0.994 443 K CB 0.346 32.867 32.500 0.036 0.000 0.906 443 K HN 0.836 nan 8.250 nan 0.000 0.488 444 G N 2.714 111.592 108.800 0.129 0.000 2.140 444 G HA2 -0.227 3.735 3.960 0.004 0.000 0.211 444 G HA3 -0.227 3.735 3.960 0.004 0.000 0.211 444 G C -0.428 174.480 174.900 0.014 0.000 1.013 444 G CA -0.099 45.034 45.100 0.055 0.000 0.705 444 G HN 0.514 nan 8.290 nan 0.000 0.508 445 L N 0.542 121.762 121.223 -0.006 0.000 2.397 445 L HA 0.691 5.033 4.340 0.004 0.000 0.271 445 L C 0.120 176.890 176.870 -0.165 0.000 1.148 445 L CA -0.296 54.450 54.840 -0.157 0.000 0.825 445 L CB 0.553 42.306 42.059 -0.509 0.000 1.117 445 L HN 0.014 nan 8.230 nan 0.000 0.456 446 K N 6.079 126.390 120.400 -0.149 0.000 2.206 446 K HA 0.349 4.671 4.320 0.004 0.000 0.264 446 K C -0.547 175.943 176.600 -0.183 0.000 0.967 446 K CA -0.354 55.851 56.287 -0.136 0.000 0.844 446 K CB 1.523 33.969 32.500 -0.090 0.000 1.099 446 K HN 0.636 nan 8.250 nan 0.000 0.441 447 L N 3.464 124.557 121.223 -0.217 0.000 2.672 447 L HA 0.042 4.384 4.340 0.004 0.000 0.238 447 L C 0.290 177.047 176.870 -0.187 0.000 1.392 447 L CA -0.078 54.593 54.840 -0.282 0.000 1.238 447 L CB -0.739 41.094 42.059 -0.376 0.000 1.548 447 L HN 0.542 nan 8.230 nan 0.000 0.423 448 D N -1.204 119.116 120.400 -0.134 0.000 2.368 448 D HA 0.102 4.744 4.640 0.004 0.000 0.218 448 D C 1.421 177.677 176.300 -0.074 0.000 1.112 448 D CA 0.198 54.143 54.000 -0.092 0.000 0.834 448 D CB 0.488 41.246 40.800 -0.069 0.000 0.953 448 D HN 0.288 nan 8.370 nan 0.000 0.505 449 G N 0.544 109.295 108.800 -0.081 0.000 2.166 449 G HA2 -0.364 3.598 3.960 0.004 0.000 0.260 449 G HA3 -0.364 3.598 3.960 0.004 0.000 0.260 449 G C 1.051 175.941 174.900 -0.015 0.000 0.986 449 G CA 0.871 45.944 45.100 -0.044 0.000 0.683 449 G HN 0.746 nan 8.290 nan 0.000 0.527 450 S N -0.753 114.938 115.700 -0.015 0.000 2.540 450 S HA 0.213 4.685 4.470 0.004 0.000 0.218 450 S C 0.602 175.230 174.600 0.047 0.000 0.977 450 S CA 0.022 58.227 58.200 0.009 0.000 0.918 450 S CB 0.229 63.428 63.200 -0.003 0.000 0.806 450 S HN 0.409 nan 8.310 nan 0.000 0.496 451 N N 4.669 123.392 118.700 0.039 0.000 2.475 451 N HA 0.226 4.968 4.740 0.004 0.000 0.267 451 N C -2.893 172.683 175.510 0.111 0.000 1.169 451 N CA -1.021 52.060 53.050 0.051 0.000 0.947 451 N CB 0.579 39.079 38.487 0.022 0.000 1.061 451 N HN 0.323 nan 8.380 nan 0.000 0.466 452 P HA 0.055 nan 4.420 nan 0.000 0.266 452 P C -0.612 176.890 177.300 0.336 0.000 1.215 452 P CA 0.199 63.435 63.100 0.226 0.000 0.763 452 P CB 0.461 32.207 31.700 0.077 0.000 0.806 453 T N 4.689 119.485 114.554 0.403 0.000 2.861 453 T HA 0.546 4.899 4.350 0.004 0.000 0.287 453 T C 0.102 175.008 174.700 0.344 0.000 1.003 453 T CA -0.379 61.962 62.100 0.401 0.000 0.977 453 T CB 1.018 70.012 68.868 0.209 0.000 0.996 453 T HN 0.223 nan 8.240 nan 0.000 0.448 454 I N 3.320 124.079 120.570 0.316 0.000 2.389 454 I HA 0.421 4.593 4.170 0.004 0.000 0.288 454 I C -0.964 175.175 176.117 0.038 0.000 0.999 454 I CA -0.967 60.401 61.300 0.112 0.000 1.129 454 I CB 1.660 39.629 38.000 -0.051 0.000 1.288 454 I HN 0.325 nan 8.210 nan 0.000 0.444 455 L N 8.592 129.814 121.223 -0.002 0.000 2.287 455 L HA 0.470 4.813 4.340 0.004 0.000 0.287 455 L C -1.438 175.512 176.870 0.134 0.000 1.022 455 L CA -0.190 54.600 54.840 -0.083 0.000 0.814 455 L CB 0.924 42.825 42.059 -0.264 0.000 1.217 455 L HN 0.449 nan 8.230 nan 0.000 0.420 456 Y N 4.323 124.599 120.300 -0.040 0.000 2.429 456 Y HA 0.838 5.390 4.550 0.004 0.000 0.342 456 Y C 0.044 176.079 175.900 0.225 0.000 1.004 456 Y CA -0.042 58.117 58.100 0.100 0.000 1.075 456 Y CB 1.957 40.352 38.460 -0.108 0.000 1.214 456 Y HN 0.782 nan 8.280 nan 0.000 0.455 457 G N 3.182 111.645 108.800 -0.561 0.000 2.660 457 G HA2 0.303 4.265 3.960 0.004 0.000 0.290 457 G HA3 0.303 4.265 3.960 0.004 0.000 0.290 457 G C -2.043 172.483 174.900 -0.625 0.000 1.432 457 G CA -0.427 44.383 45.100 -0.483 0.000 0.807 457 G HN 0.639 nan 8.290 nan 0.000 0.485 458 Y N -0.149 119.898 120.300 -0.421 0.000 3.223 458 Y HA 0.473 5.025 4.550 0.004 0.000 0.159 458 Y C 1.447 177.226 175.900 -0.203 0.000 0.875 458 Y CA 1.525 59.449 58.100 -0.293 0.000 1.850 458 Y CB 0.548 38.927 38.460 -0.135 0.000 1.362 458 Y HN 1.728 nan 8.280 nan 0.000 0.341 459 G N 1.123 109.941 108.800 0.030 0.000 2.643 459 G HA2 0.366 4.328 3.960 0.004 0.000 0.280 459 G HA3 0.366 4.328 3.960 0.004 0.000 0.280 459 G C -0.014 174.790 174.900 -0.161 0.000 1.120 459 G CA 0.381 45.431 45.100 -0.083 0.000 1.165 459 G HN 1.413 nan 8.290 nan 0.000 0.540 460 G N -1.168 107.633 108.800 0.002 0.000 2.321 460 G HA2 0.601 4.564 3.960 0.004 0.000 0.298 460 G HA3 0.601 4.564 3.960 0.004 0.000 0.298 460 G C 0.047 174.993 174.900 0.076 0.000 1.385 460 G CA 0.164 45.195 45.100 -0.114 0.000 0.856 460 G HN 1.483 nan 8.290 nan 0.000 0.584 461 F N -0.449 119.420 119.950 -0.136 0.000 3.100 461 F HA -0.223 4.306 4.527 0.004 0.000 0.284 461 F C 1.246 176.812 175.800 -0.391 0.000 0.875 461 F CA 1.997 59.882 58.000 -0.192 0.000 1.039 461 F CB -1.327 37.651 39.000 -0.037 0.000 1.111 461 F HN 1.062 nan 8.300 nan 0.000 0.575 462 D N -1.272 118.719 120.400 -0.683 0.000 3.059 462 D HA -0.192 4.450 4.640 0.004 0.000 0.220 462 D C -0.068 176.183 176.300 -0.081 0.000 1.169 462 D CA 1.012 54.772 54.000 -0.400 0.000 0.902 462 D CB -0.772 39.836 40.800 -0.320 0.000 1.116 462 D HN 0.233 nan 8.370 nan 0.000 0.417 463 V N 0.824 120.743 119.914 0.008 0.000 2.488 463 V HA 0.335 4.457 4.120 0.004 0.000 0.277 463 V C 0.783 176.891 176.094 0.024 0.000 1.046 463 V CA -0.008 62.287 62.300 -0.007 0.000 0.986 463 V CB 1.678 33.438 31.823 -0.105 0.000 0.989 463 V HN 0.192 nan 8.190 nan 0.000 0.475 464 S N 6.039 121.732 115.700 -0.011 0.000 2.442 464 S HA 0.535 5.007 4.470 0.004 0.000 0.297 464 S C -0.216 174.387 174.600 0.004 0.000 1.131 464 S CA -0.518 57.684 58.200 0.004 0.000 1.092 464 S CB 0.787 63.966 63.200 -0.035 0.000 0.998 464 S HN 0.523 nan 8.310 nan 0.000 0.478 465 L N 4.749 126.006 121.223 0.056 0.000 2.334 465 L HA 0.263 4.605 4.340 0.004 0.000 0.286 465 L C 0.737 177.653 176.870 0.078 0.000 1.108 465 L CA -0.452 54.446 54.840 0.097 0.000 0.875 465 L CB -0.263 41.915 42.059 0.199 0.000 1.246 465 L HN 0.631 nan 8.230 nan 0.000 0.439 466 T N 0.601 115.163 114.554 0.013 0.000 2.907 466 T HA 0.486 4.838 4.350 0.004 0.000 0.284 466 T C -2.454 172.166 174.700 -0.134 0.000 1.004 466 T CA -2.277 59.795 62.100 -0.046 0.000 1.063 466 T CB 1.318 70.145 68.868 -0.069 0.000 0.992 466 T HN 0.153 nan 8.240 nan 0.000 0.483 467 P HA 0.234 nan 4.420 nan 0.000 0.262 467 P C -0.550 176.384 177.300 -0.611 0.000 1.182 467 P CA -0.005 62.615 63.100 -0.800 0.000 0.761 467 P CB 0.357 31.656 31.700 -0.669 0.000 0.795 468 S N 2.572 117.861 115.700 -0.685 0.000 2.541 468 S HA 0.590 5.062 4.470 0.004 0.000 0.271 468 S C -1.055 173.419 174.600 -0.210 0.000 1.133 468 S CA -0.889 57.126 58.200 -0.309 0.000 0.876 468 S CB 0.833 63.935 63.200 -0.163 0.000 1.105 468 S HN 0.211 nan 8.310 nan 0.000 0.470 469 F N 2.999 122.807 119.950 -0.236 0.000 2.399 469 F HA 0.654 5.183 4.527 0.004 0.000 0.342 469 F C 0.331 176.021 175.800 -0.183 0.000 1.106 469 F CA 0.372 58.254 58.000 -0.197 0.000 1.196 469 F CB 1.286 40.175 39.000 -0.185 0.000 1.163 469 F HN 0.894 nan 8.300 nan 0.000 0.547 470 S N 4.884 119.857 115.700 -1.212 0.000 2.575 470 S HA 0.405 4.877 4.470 0.004 0.000 0.278 470 S C 0.050 173.923 174.600 -1.211 0.000 1.139 470 S CA -0.734 56.925 58.200 -0.901 0.000 0.954 470 S CB 1.323 64.204 63.200 -0.531 0.000 1.054 470 S HN 0.502 nan 8.310 nan 0.000 0.483 471 V N 3.683 123.094 119.914 -0.838 0.000 2.332 471 V HA -0.126 3.996 4.120 0.004 0.000 0.248 471 V C 2.846 178.676 176.094 -0.439 0.000 1.055 471 V CA 2.449 64.378 62.300 -0.618 0.000 1.038 471 V CB -1.128 30.432 31.823 -0.438 0.000 0.651 471 V HN 0.985 nan 8.190 nan 0.000 0.450 472 S N -0.268 115.218 115.700 -0.357 0.000 2.353 472 S HA -0.198 4.274 4.470 0.004 0.000 0.222 472 S C 2.002 176.577 174.600 -0.042 0.000 1.035 472 S CA 2.096 60.309 58.200 0.022 0.000 1.025 472 S CB -0.266 62.974 63.200 0.067 0.000 0.902 472 S HN 0.334 nan 8.310 nan 0.000 0.440 473 V N 2.239 121.944 119.914 -0.348 0.000 2.343 473 V HA -0.154 3.968 4.120 0.004 0.000 0.247 473 V C 2.853 178.710 176.094 -0.394 0.000 1.051 473 V CA 1.803 63.824 62.300 -0.465 0.000 1.036 473 V CB -1.432 29.920 31.823 -0.784 0.000 0.654 473 V HN 0.626 nan 8.190 nan 0.000 0.451 474 A N 0.236 122.669 122.820 -0.646 0.000 1.908 474 A HA -0.271 4.051 4.320 0.004 0.000 0.218 474 A C 2.113 179.528 177.584 -0.282 0.000 1.181 474 A CA 2.161 53.759 52.037 -0.731 0.000 0.627 474 A CB -0.712 17.363 19.000 -1.542 0.000 0.818 474 A HN 0.606 nan 8.150 nan 0.000 0.445 475 N N -1.174 117.461 118.700 -0.108 0.000 2.166 475 N HA -0.166 4.576 4.740 0.004 0.000 0.186 475 N C 1.639 177.151 175.510 0.004 0.000 1.019 475 N CA 1.319 54.445 53.050 0.126 0.000 0.856 475 N CB -0.365 38.269 38.487 0.246 0.000 0.993 475 N HN 0.850 nan 8.380 nan 0.000 0.426 476 W N 2.249 123.341 121.300 -0.347 0.000 2.358 476 W HA -0.096 4.567 4.660 0.004 0.000 0.303 476 W C 1.545 177.934 176.519 -0.216 0.000 1.208 476 W CA 0.676 57.722 57.345 -0.499 0.000 1.274 476 W CB -0.180 28.869 29.460 -0.685 0.000 1.138 476 W HN 0.011 nan 8.180 nan 0.000 0.515 477 L N 0.492 121.649 121.223 -0.111 0.000 2.083 477 L HA -0.227 4.115 4.340 0.004 0.000 0.209 477 L C 2.097 178.964 176.870 -0.005 0.000 1.083 477 L CA 1.502 56.309 54.840 -0.056 0.000 0.752 477 L CB -1.137 40.979 42.059 0.095 0.000 0.899 477 L HN -0.170 nan 8.230 nan 0.000 0.433 478 D N 0.330 120.776 120.400 0.076 0.000 2.219 478 D HA -0.095 4.547 4.640 0.004 0.000 0.205 478 D C 2.185 178.449 176.300 -0.059 0.000 0.970 478 D CA 1.013 55.078 54.000 0.108 0.000 0.851 478 D CB -0.002 40.925 40.800 0.212 0.000 0.943 478 D HN 0.296 nan 8.370 nan 0.000 0.488 479 L N -0.825 120.277 121.223 -0.202 0.000 2.599 479 L HA 0.154 4.496 4.340 0.004 0.000 0.230 479 L C 1.481 178.091 176.870 -0.434 0.000 1.141 479 L CA 0.459 55.108 54.840 -0.318 0.000 0.877 479 L CB 0.010 41.828 42.059 -0.400 0.000 1.009 479 L HN 0.141 nan 8.230 nan 0.000 0.447 480 G N -0.590 107.982 108.800 -0.380 0.000 2.179 480 G HA2 -0.194 3.768 3.960 0.004 0.000 0.220 480 G HA3 -0.194 3.768 3.960 0.004 0.000 0.220 480 G C 0.505 175.135 174.900 -0.451 0.000 0.990 480 G CA -0.302 44.596 45.100 -0.337 0.000 0.646 480 G HN 0.488 nan 8.290 nan 0.000 0.517 481 G N -0.955 107.349 108.800 -0.826 0.000 2.537 481 G HA2 0.634 4.596 3.960 0.004 0.000 0.273 481 G HA3 0.634 4.596 3.960 0.004 0.000 0.273 481 G C -0.170 174.606 174.900 -0.206 0.000 1.189 481 G CA 0.113 44.636 45.100 -0.962 0.000 0.881 481 G HN 0.918 nan 8.290 nan 0.000 0.535 482 V N 0.465 120.501 119.914 0.204 0.000 2.581 482 V HA 0.417 4.539 4.120 0.004 0.000 0.303 482 V C -1.149 175.274 176.094 0.549 0.000 1.041 482 V CA -0.679 61.834 62.300 0.355 0.000 0.907 482 V CB 1.591 33.575 31.823 0.268 0.000 0.994 482 V HN 0.644 nan 8.190 nan 0.000 0.442 483 Y N 3.408 123.856 120.300 0.247 0.000 2.331 483 Y HA 0.757 5.309 4.550 0.004 0.000 0.334 483 Y C -0.091 175.788 175.900 -0.034 0.000 0.960 483 Y CA -0.888 57.276 58.100 0.107 0.000 1.130 483 Y CB 1.480 39.952 38.460 0.019 0.000 1.164 483 Y HN 0.727 nan 8.280 nan 0.000 0.458 484 A N 5.366 127.918 122.820 -0.447 0.000 2.343 484 A HA 0.816 5.138 4.320 0.004 0.000 0.316 484 A C -1.818 175.471 177.584 -0.492 0.000 1.104 484 A CA -0.671 51.133 52.037 -0.389 0.000 0.768 484 A CB 1.186 20.051 19.000 -0.225 0.000 1.213 484 A HN 0.514 nan 8.150 nan 0.000 0.456 485 V N 1.807 121.507 119.914 -0.356 0.000 2.444 485 V HA 0.672 4.794 4.120 0.004 0.000 0.294 485 V C 0.420 176.539 176.094 0.042 0.000 1.022 485 V CA -0.373 61.837 62.300 -0.149 0.000 0.850 485 V CB 1.399 33.129 31.823 -0.154 0.000 0.992 485 V HN 1.215 nan 8.190 nan 0.000 0.426 486 A N 3.886 126.806 122.820 0.167 0.000 2.301 486 A HA 0.598 4.921 4.320 0.004 0.000 0.312 486 A C 0.194 177.931 177.584 0.255 0.000 1.182 486 A CA -0.621 51.569 52.037 0.255 0.000 0.826 486 A CB 0.392 19.623 19.000 0.385 0.000 1.134 486 A HN 0.767 nan 8.150 nan 0.000 0.501 487 N N 2.926 121.782 118.700 0.259 0.000 3.322 487 N HA 0.217 4.959 4.740 0.004 0.000 0.290 487 N C -0.391 175.389 175.510 0.449 0.000 1.297 487 N CA 0.077 53.299 53.050 0.287 0.000 1.167 487 N CB 0.260 38.862 38.487 0.192 0.000 1.434 487 N HN 0.595 nan 8.380 nan 0.000 0.526 488 L N 0.591 122.009 121.223 0.324 0.000 2.482 488 L HA 0.147 4.490 4.340 0.004 0.000 0.273 488 L C 1.483 178.379 176.870 0.042 0.000 1.228 488 L CA -0.129 54.828 54.840 0.195 0.000 0.827 488 L CB 0.442 42.543 42.059 0.069 0.000 1.099 488 L HN 0.128 nan 8.230 nan 0.000 0.494 489 R N 0.334 120.565 120.500 -0.449 0.000 2.827 489 R HA 0.200 4.542 4.340 0.004 0.000 0.269 489 R C 1.146 177.187 176.300 -0.431 0.000 1.048 489 R CA 0.950 56.450 56.100 -1.000 0.000 1.173 489 R CB 0.062 29.751 30.300 -1.019 0.000 1.070 489 R HN 0.938 nan 8.270 nan 0.000 0.498 490 G N -0.218 108.388 108.800 -0.323 0.000 2.284 490 G HA2 -0.239 3.723 3.960 0.004 0.000 0.230 490 G HA3 -0.239 3.723 3.960 0.004 0.000 0.230 490 G C 0.493 175.412 174.900 0.033 0.000 1.021 490 G CA -0.151 44.891 45.100 -0.098 0.000 0.619 490 G HN 0.888 nan 8.290 nan 0.000 0.510 491 G N -0.473 108.403 108.800 0.126 0.000 2.588 491 G HA2 0.569 4.531 3.960 0.004 0.000 0.278 491 G HA3 0.569 4.531 3.960 0.004 0.000 0.278 491 G C 0.991 176.087 174.900 0.325 0.000 1.307 491 G CA 0.220 45.463 45.100 0.237 0.000 1.016 491 G HN 1.333 nan 8.290 nan 0.000 0.503 492 G N -1.460 107.453 108.800 0.190 0.000 3.575 492 G HA2 0.287 4.249 3.960 0.004 0.000 0.273 492 G HA3 0.287 4.249 3.960 0.004 0.000 0.273 492 G C 0.900 175.813 174.900 0.021 0.000 1.053 492 G CA 0.110 45.294 45.100 0.140 0.000 0.803 492 G HN 0.527 nan 8.290 nan 0.000 0.528 493 E N 0.191 120.342 120.200 -0.081 0.000 2.085 493 E HA -0.138 4.214 4.350 0.004 0.000 0.194 493 E C 0.362 176.508 176.600 -0.756 0.000 0.994 493 E CA 1.183 57.299 56.400 -0.472 0.000 0.801 493 E CB -0.160 29.150 29.700 -0.650 0.000 0.743 493 E HN 0.583 nan 8.360 nan 0.000 0.453 494 Y N -0.260 119.757 120.300 -0.472 0.000 2.774 494 Y HA 0.423 4.975 4.550 0.004 0.000 0.305 494 Y C 0.866 176.748 175.900 -0.029 0.000 1.067 494 Y CA -0.038 57.859 58.100 -0.338 0.000 1.304 494 Y CB 0.572 38.649 38.460 -0.639 0.000 1.209 494 Y HN 0.106 nan 8.280 nan 0.000 0.543 495 G N 0.331 109.199 108.800 0.114 0.000 2.750 495 G HA2 -0.373 3.589 3.960 0.004 0.000 0.228 495 G HA3 -0.373 3.589 3.960 0.004 0.000 0.228 495 G C 0.840 175.887 174.900 0.245 0.000 1.367 495 G CA 0.279 45.474 45.100 0.158 0.000 0.871 495 G HN 0.375 nan 8.290 nan 0.000 0.560 496 Q N -0.631 119.288 119.800 0.199 0.000 2.118 496 Q HA -0.168 4.174 4.340 0.004 0.000 0.211 496 Q C 3.016 179.138 176.000 0.203 0.000 0.998 496 Q CA 3.475 59.403 55.803 0.208 0.000 0.872 496 Q CB -0.504 28.316 28.738 0.138 0.000 0.925 496 Q HN 1.486 nan 8.270 nan 0.000 0.414 497 A N 0.110 123.044 122.820 0.190 0.000 2.015 497 A HA -0.185 4.137 4.320 0.004 0.000 0.219 497 A C 1.781 179.506 177.584 0.234 0.000 1.163 497 A CA 1.031 53.165 52.037 0.162 0.000 0.646 497 A CB -1.178 17.908 19.000 0.144 0.000 0.806 497 A HN 0.808 nan 8.150 nan 0.000 0.448 498 W N -0.276 121.087 121.300 0.104 0.000 2.409 498 W HA -0.162 4.500 4.660 0.004 0.000 0.299 498 W C 2.136 178.728 176.519 0.123 0.000 1.203 498 W CA 1.632 59.050 57.345 0.122 0.000 1.298 498 W CB -0.423 29.157 29.460 0.200 0.000 1.127 498 W HN 0.724 nan 8.180 nan 0.000 0.528 499 H N -0.167 119.022 119.070 0.199 0.000 2.293 499 H HA -0.194 4.364 4.556 0.004 0.000 0.300 499 H C 2.376 177.662 175.328 -0.070 0.000 1.082 499 H CA 1.528 57.607 56.048 0.052 0.000 1.308 499 H CB -0.272 29.555 29.762 0.109 0.000 1.375 499 H HN -0.084 nan 8.280 nan 0.000 0.495 500 L N 1.058 122.205 121.223 -0.128 0.000 2.127 500 L HA -0.133 4.209 4.340 0.004 0.000 0.211 500 L C 2.666 179.394 176.870 -0.236 0.000 1.089 500 L CA 1.524 56.199 54.840 -0.274 0.000 0.757 500 L CB -1.525 40.439 42.059 -0.158 0.000 0.899 500 L HN 0.431 nan 8.230 nan 0.000 0.434 501 A N -0.960 121.751 122.820 -0.181 0.000 2.239 501 A HA 0.133 4.455 4.320 0.004 0.000 0.209 501 A C 1.754 179.164 177.584 -0.290 0.000 1.171 501 A CA 1.081 52.983 52.037 -0.226 0.000 0.768 501 A CB -0.617 18.243 19.000 -0.233 0.000 0.790 501 A HN 0.444 nan 8.150 nan 0.000 0.478 502 G N -0.460 108.168 108.800 -0.287 0.000 3.969 502 G HA2 0.391 4.353 3.960 0.004 0.000 0.291 502 G HA3 0.391 4.353 3.960 0.004 0.000 0.291 502 G C 0.309 175.023 174.900 -0.309 0.000 1.016 502 G CA 0.621 45.530 45.100 -0.319 0.000 0.819 502 G HN 0.537 nan 8.290 nan 0.000 0.493 503 T N -3.547 110.815 114.554 -0.321 0.000 2.942 503 T HA 0.577 4.930 4.350 0.004 0.000 0.289 503 T C 0.623 175.151 174.700 -0.288 0.000 1.044 503 T CA -0.199 61.694 62.100 -0.344 0.000 1.023 503 T CB 2.416 70.970 68.868 -0.523 0.000 1.123 503 T HN 0.239 nan 8.240 nan 0.000 0.512 504 Q N 0.458 120.137 119.800 -0.202 0.000 2.267 504 Q HA -0.362 3.980 4.340 0.004 0.000 0.429 504 Q C 1.268 177.097 176.000 -0.285 0.000 0.637 504 Q CA 2.265 57.979 55.803 -0.148 0.000 0.942 504 Q CB -1.196 27.415 28.738 -0.212 0.000 2.719 504 Q HN 0.909 nan 8.270 nan 0.000 0.927 505 Q N 0.868 120.341 119.800 -0.545 0.000 2.387 505 Q HA 0.055 4.398 4.340 0.004 0.000 0.211 505 Q C 0.354 175.870 176.000 -0.807 0.000 0.952 505 Q CA 0.387 55.459 55.803 -1.219 0.000 0.957 505 Q CB -0.055 28.159 28.738 -0.873 0.000 1.002 505 Q HN 0.329 nan 8.270 nan 0.000 0.502 506 N N -0.619 117.845 118.700 -0.393 0.000 2.170 506 N HA 0.004 4.746 4.740 0.004 0.000 0.222 506 N C 0.978 176.363 175.510 -0.208 0.000 1.218 506 N CA -0.130 52.786 53.050 -0.223 0.000 0.889 506 N CB 0.475 38.819 38.487 -0.238 0.000 1.083 506 N HN -0.082 nan 8.380 nan 0.000 0.520 507 K N 1.575 121.873 120.400 -0.171 0.000 2.160 507 K HA -0.182 4.140 4.320 0.004 0.000 0.206 507 K C 2.012 178.145 176.600 -0.777 0.000 1.047 507 K CA 1.376 57.392 56.287 -0.451 0.000 0.930 507 K CB -0.039 32.196 32.500 -0.442 0.000 0.720 507 K HN 0.031 nan 8.250 nan 0.000 0.450 508 Q N 0.738 120.294 119.800 -0.406 0.000 2.234 508 Q HA -0.137 4.205 4.340 0.004 0.000 0.206 508 Q C 1.346 177.152 176.000 -0.323 0.000 0.980 508 Q CA 1.741 57.327 55.803 -0.361 0.000 0.869 508 Q CB -0.371 28.337 28.738 -0.050 0.000 0.912 508 Q HN 0.391 nan 8.270 nan 0.000 0.436 509 N N -0.766 117.761 118.700 -0.289 0.000 2.149 509 N HA -0.142 4.600 4.740 0.004 0.000 0.188 509 N C 1.609 176.955 175.510 -0.273 0.000 1.019 509 N CA 1.566 54.474 53.050 -0.237 0.000 0.857 509 N CB -0.350 37.986 38.487 -0.252 0.000 0.997 509 N HN 0.180 nan 8.380 nan 0.000 0.426 510 V N 1.033 120.677 119.914 -0.450 0.000 2.295 510 V HA -0.206 3.916 4.120 0.004 0.000 0.246 510 V C 1.940 177.938 176.094 -0.160 0.000 1.049 510 V CA 1.407 63.474 62.300 -0.389 0.000 1.024 510 V CB -0.729 30.752 31.823 -0.570 0.000 0.648 510 V HN 0.077 nan 8.190 nan 0.000 0.447 511 F N 0.665 120.539 119.950 -0.126 0.000 2.134 511 F HA -0.098 4.431 4.527 0.004 0.000 0.299 511 F C 2.315 178.137 175.800 0.037 0.000 1.097 511 F CA 0.910 58.878 58.000 -0.052 0.000 1.264 511 F CB -1.276 37.659 39.000 -0.110 0.000 1.001 511 F HN 0.215 nan 8.300 nan 0.000 0.479 512 D N 0.319 120.808 120.400 0.149 0.000 2.117 512 D HA -0.149 4.493 4.640 0.004 0.000 0.197 512 D C 1.786 178.180 176.300 0.157 0.000 0.987 512 D CA 1.379 55.452 54.000 0.122 0.000 0.829 512 D CB -0.444 40.389 40.800 0.055 0.000 0.961 512 D HN 0.204 nan 8.370 nan 0.000 0.460 513 D N -0.305 120.179 120.400 0.141 0.000 2.144 513 D HA -0.142 4.500 4.640 0.004 0.000 0.199 513 D C 1.779 178.305 176.300 0.376 0.000 0.984 513 D CA 0.446 54.588 54.000 0.237 0.000 0.834 513 D CB -0.365 40.511 40.800 0.128 0.000 0.955 513 D HN 0.160 nan 8.370 nan 0.000 0.465 514 F N 0.958 120.979 119.950 0.118 0.000 2.163 514 F HA 0.019 4.548 4.527 0.004 0.000 0.297 514 F C 2.170 177.989 175.800 0.032 0.000 1.094 514 F CA 0.539 58.584 58.000 0.076 0.000 1.290 514 F CB -0.300 38.737 39.000 0.062 0.000 1.017 514 F HN -0.132 nan 8.300 nan 0.000 0.483 515 I N -0.158 120.508 120.570 0.160 0.000 2.226 515 I HA -0.322 3.850 4.170 0.004 0.000 0.245 515 I C 2.596 178.696 176.117 -0.028 0.000 1.100 515 I CA 1.304 62.622 61.300 0.029 0.000 1.374 515 I CB -0.834 37.216 38.000 0.083 0.000 1.057 515 I HN 0.143 nan 8.210 nan 0.000 0.413 516 A N 0.567 123.415 122.820 0.047 0.000 1.972 516 A HA -0.129 4.194 4.320 0.004 0.000 0.219 516 A C 2.509 179.900 177.584 -0.322 0.000 1.169 516 A CA 1.724 53.780 52.037 0.032 0.000 0.635 516 A CB -0.703 18.466 19.000 0.282 0.000 0.810 516 A HN 0.442 nan 8.150 nan 0.000 0.446 517 A N -0.147 122.334 122.820 -0.565 0.000 1.898 517 A HA 0.217 4.539 4.320 0.004 0.000 0.216 517 A C 2.480 179.800 177.584 -0.439 0.000 1.181 517 A CA 1.841 53.322 52.037 -0.926 0.000 0.620 517 A CB -0.913 17.727 19.000 -0.600 0.000 0.819 517 A HN 0.982 nan 8.150 nan 0.000 0.442 518 A N -0.079 122.526 122.820 -0.358 0.000 1.902 518 A HA -0.166 4.156 4.320 0.004 0.000 0.217 518 A C 1.903 179.413 177.584 -0.124 0.000 1.181 518 A CA 1.642 53.530 52.037 -0.248 0.000 0.623 518 A CB -0.535 18.313 19.000 -0.253 0.000 0.818 518 A HN 0.621 nan 8.150 nan 0.000 0.443 519 E N -1.766 118.379 120.200 -0.092 0.000 2.110 519 E HA -0.212 4.140 4.350 0.004 0.000 0.193 519 E C 1.833 178.440 176.600 0.011 0.000 0.988 519 E CA 1.448 57.833 56.400 -0.024 0.000 0.804 519 E CB -0.291 29.414 29.700 0.008 0.000 0.745 519 E HN 0.805 nan 8.360 nan 0.000 0.458 520 Y N 1.159 121.373 120.300 -0.144 0.000 2.200 520 Y HA -0.158 4.394 4.550 0.004 0.000 0.290 520 Y C 1.910 177.805 175.900 -0.007 0.000 1.137 520 Y CA 1.226 59.276 58.100 -0.083 0.000 1.163 520 Y CB -0.047 38.300 38.460 -0.188 0.000 0.988 520 Y HN -0.058 nan 8.280 nan 0.000 0.518 521 L N 0.063 121.319 121.223 0.054 0.000 2.131 521 L HA -0.232 4.110 4.340 0.004 0.000 0.210 521 L C 2.272 179.182 176.870 0.067 0.000 1.092 521 L CA 1.574 56.458 54.840 0.073 0.000 0.759 521 L CB -0.405 41.654 42.059 0.001 0.000 0.903 521 L HN 0.201 nan 8.230 nan 0.000 0.435 522 K N -0.122 120.275 120.400 -0.005 0.000 2.021 522 K HA -0.019 4.303 4.320 0.004 0.000 0.205 522 K C 2.289 178.857 176.600 -0.054 0.000 1.047 522 K CA 1.123 57.400 56.287 -0.015 0.000 0.943 522 K CB -0.280 32.209 32.500 -0.019 0.000 0.725 522 K HN 0.201 nan 8.250 nan 0.000 0.439 523 A N 1.888 124.659 122.820 -0.082 0.000 1.940 523 A HA -0.173 4.149 4.320 0.004 0.000 0.219 523 A C 1.712 179.196 177.584 -0.166 0.000 1.176 523 A CA 1.511 53.485 52.037 -0.105 0.000 0.631 523 A CB -0.249 18.701 19.000 -0.085 0.000 0.814 523 A HN 0.171 nan 8.150 nan 0.000 0.446 524 E N -1.274 118.771 120.200 -0.257 0.000 2.502 524 E HA 0.164 4.517 4.350 0.004 0.000 0.194 524 E C 1.261 177.676 176.600 -0.308 0.000 1.062 524 E CA 0.684 56.908 56.400 -0.293 0.000 0.867 524 E CB -0.259 29.219 29.700 -0.370 0.000 0.888 524 E HN 0.824 nan 8.360 nan 0.000 0.510 525 G N 0.673 109.348 108.800 -0.208 0.000 2.157 525 G HA2 -0.343 3.619 3.960 0.004 0.000 0.248 525 G HA3 -0.343 3.619 3.960 0.004 0.000 0.248 525 G C 0.722 175.473 174.900 -0.248 0.000 0.979 525 G CA 0.448 45.415 45.100 -0.221 0.000 0.650 525 G HN 0.317 nan 8.290 nan 0.000 0.529 526 Y N 0.136 120.377 120.300 -0.098 0.000 2.220 526 Y HA 0.342 4.894 4.550 0.004 0.000 0.291 526 Y C 2.146 178.015 175.900 -0.052 0.000 1.129 526 Y CA 2.042 60.094 58.100 -0.081 0.000 1.161 526 Y CB 0.126 38.559 38.460 -0.044 0.000 0.997 526 Y HN 0.412 nan 8.280 nan 0.000 0.522 527 T N -1.078 113.546 114.554 0.118 0.000 2.626 527 T HA 0.627 4.979 4.350 0.004 0.000 0.299 527 T C -1.625 173.094 174.700 0.032 0.000 1.181 527 T CA -0.957 61.187 62.100 0.074 0.000 1.053 527 T CB 1.361 70.290 68.868 0.101 0.000 1.566 527 T HN 0.183 nan 8.240 nan 0.000 0.486 528 R N -0.534 119.983 120.500 0.028 0.000 2.752 528 R HA 0.542 4.885 4.340 0.004 0.000 0.271 528 R C 0.597 176.904 176.300 0.012 0.000 1.026 528 R CA -0.544 55.561 56.100 0.008 0.000 0.901 528 R CB 0.155 30.453 30.300 -0.003 0.000 1.243 528 R HN 0.509 nan 8.270 nan 0.000 0.463 529 T N 0.650 115.206 114.554 0.003 0.000 2.620 529 T HA -0.242 4.110 4.350 0.004 0.000 0.267 529 T C 0.997 175.701 174.700 0.007 0.000 1.044 529 T CA 2.441 64.543 62.100 0.004 0.000 1.161 529 T CB -0.559 68.310 68.868 0.002 0.000 0.862 529 T HN 0.827 nan 8.240 nan 0.000 0.438 530 D N 0.246 120.646 120.400 0.000 0.000 2.352 530 D HA -0.047 4.595 4.640 0.004 0.000 0.232 530 D C 1.461 177.767 176.300 0.009 0.000 1.055 530 D CA 0.266 54.261 54.000 -0.009 0.000 0.891 530 D CB -0.086 40.698 40.800 -0.027 0.000 0.897 530 D HN 0.175 nan 8.370 nan 0.000 0.529 531 R N -0.266 120.259 120.500 0.043 0.000 2.596 531 R HA 0.284 4.626 4.340 0.004 0.000 0.369 531 R C -0.508 175.874 176.300 0.137 0.000 1.042 531 R CA -0.500 55.663 56.100 0.104 0.000 1.120 531 R CB 0.503 30.863 30.300 0.099 0.000 1.353 531 R HN 0.196 nan 8.270 nan 0.000 0.564 532 L N 0.636 121.914 121.223 0.092 0.000 2.341 532 L HA 0.709 5.051 4.340 0.004 0.000 0.278 532 L C -0.996 175.923 176.870 0.081 0.000 1.005 532 L CA -0.677 54.214 54.840 0.086 0.000 0.818 532 L CB 1.756 43.833 42.059 0.031 0.000 1.259 532 L HN 0.062 nan 8.230 nan 0.000 0.418 533 A N 5.956 128.835 122.820 0.099 0.000 2.374 533 A HA 0.836 5.159 4.320 0.004 0.000 0.317 533 A C -0.799 176.829 177.584 0.072 0.000 1.094 533 A CA -0.634 51.459 52.037 0.093 0.000 0.765 533 A CB 1.055 20.118 19.000 0.105 0.000 1.268 533 A HN 0.849 nan 8.150 nan 0.000 0.438 534 I N -0.892 119.737 120.570 0.098 0.000 2.603 534 I HA 0.902 5.074 4.170 0.004 0.000 0.300 534 I C -0.397 175.839 176.117 0.197 0.000 1.017 534 I CA -0.885 60.504 61.300 0.148 0.000 1.098 534 I CB 1.945 40.057 38.000 0.188 0.000 1.279 534 I HN 0.751 nan 8.210 nan 0.000 0.437 535 R N 3.157 123.810 120.500 0.255 0.000 2.740 535 R HA 0.858 5.200 4.340 0.004 0.000 0.273 535 R C -1.148 175.217 176.300 0.109 0.000 0.998 535 R CA -0.609 55.620 56.100 0.215 0.000 0.900 535 R CB 2.511 32.982 30.300 0.286 0.000 1.223 535 R HN 1.132 nan 8.270 nan 0.000 0.466 536 G N 0.144 108.964 108.800 0.033 0.000 2.519 536 G HA2 0.487 4.449 3.960 0.004 0.000 0.292 536 G HA3 0.487 4.449 3.960 0.004 0.000 0.292 536 G C -1.649 173.239 174.900 -0.020 0.000 1.507 536 G CA -0.357 44.641 45.100 -0.170 0.000 0.806 536 G HN 0.730 nan 8.290 nan 0.000 0.523 537 G N -0.663 108.153 108.800 0.026 0.000 2.591 537 G HA2 0.719 4.682 3.960 0.004 0.000 0.306 537 G HA3 0.719 4.682 3.960 0.004 0.000 0.306 537 G C 0.356 175.269 174.900 0.022 0.000 1.334 537 G CA 0.954 46.083 45.100 0.048 0.000 0.981 537 G HN 1.760 nan 8.290 nan 0.000 0.491 538 S N 0.664 116.327 115.700 -0.061 0.000 4.151 538 S HA -0.368 4.104 4.470 0.004 0.000 0.603 538 S C 2.002 176.448 174.600 -0.257 0.000 1.878 538 S CA 1.148 59.263 58.200 -0.142 0.000 4.246 538 S CB -1.311 61.842 63.200 -0.078 0.000 0.211 538 S HN 0.969 nan 8.310 nan 0.000 0.469 539 N N 2.514 121.002 118.700 -0.353 0.000 2.289 539 N HA -0.105 4.637 4.740 0.004 0.000 0.184 539 N C 1.637 176.838 175.510 -0.516 0.000 1.016 539 N CA 1.571 54.349 53.050 -0.454 0.000 0.872 539 N CB -0.658 37.423 38.487 -0.677 0.000 0.973 539 N HN 0.644 nan 8.380 nan 0.000 0.433 540 G N -0.294 108.220 108.800 -0.475 0.000 2.511 540 G HA2 -0.037 3.925 3.960 0.004 0.000 0.217 540 G HA3 -0.037 3.925 3.960 0.004 0.000 0.217 540 G C 1.431 176.161 174.900 -0.283 0.000 1.133 540 G CA 0.640 45.520 45.100 -0.367 0.000 0.792 540 G HN 0.412 nan 8.290 nan 0.000 0.539 541 G N 0.983 109.647 108.800 -0.226 0.000 2.403 541 G HA2 -0.065 3.897 3.960 0.004 0.000 0.216 541 G HA3 -0.065 3.897 3.960 0.004 0.000 0.216 541 G C 1.689 176.420 174.900 -0.282 0.000 1.154 541 G CA 0.933 45.907 45.100 -0.209 0.000 0.784 541 G HN 0.406 nan 8.290 nan 0.000 0.538 542 L N 0.468 121.512 121.223 -0.300 0.000 2.046 542 L HA 0.053 4.395 4.340 0.004 0.000 0.208 542 L C 2.479 179.162 176.870 -0.312 0.000 1.077 542 L CA 1.712 56.369 54.840 -0.305 0.000 0.747 542 L CB -0.667 41.251 42.059 -0.236 0.000 0.896 542 L HN 0.176 nan 8.230 nan 0.000 0.432 543 L N -0.872 120.192 121.223 -0.264 0.000 1.990 543 L HA -0.179 4.163 4.340 0.004 0.000 0.213 543 L C 2.366 179.048 176.870 -0.313 0.000 1.072 543 L CA 2.185 56.855 54.840 -0.283 0.000 0.755 543 L CB -0.846 40.958 42.059 -0.426 0.000 0.889 543 L HN 0.137 nan 8.230 nan 0.000 0.432 544 V N 0.216 119.987 119.914 -0.239 0.000 2.343 544 V HA -0.194 3.928 4.120 0.004 0.000 0.247 544 V C 2.633 178.653 176.094 -0.123 0.000 1.051 544 V CA 1.744 63.989 62.300 -0.091 0.000 1.036 544 V CB -1.621 30.181 31.823 -0.034 0.000 0.654 544 V HN 0.662 nan 8.190 nan 0.000 0.451 545 G N -0.458 108.186 108.800 -0.260 0.000 2.422 545 G HA2 -0.197 3.765 3.960 0.004 0.000 0.218 545 G HA3 -0.197 3.765 3.960 0.004 0.000 0.218 545 G C 1.747 176.495 174.900 -0.254 0.000 1.146 545 G CA 1.086 45.985 45.100 -0.335 0.000 0.769 545 G HN 0.604 nan 8.290 nan 0.000 0.547 546 A N 0.007 122.566 122.820 -0.435 0.000 1.873 546 A HA 0.321 4.643 4.320 0.004 0.000 0.215 546 A C 1.644 178.998 177.584 -0.384 0.000 1.186 546 A CA 0.861 52.544 52.037 -0.591 0.000 0.616 546 A CB -0.573 17.450 19.000 -1.629 0.000 0.823 546 A HN 0.221 nan 8.150 nan 0.000 0.442 550 Q N 0.487 120.330 119.800 0.073 0.000 2.204 550 Q HA 0.278 4.620 4.340 0.004 0.000 0.198 550 Q C 0.487 176.521 176.000 0.057 0.000 0.946 550 Q CA 0.484 56.318 55.803 0.051 0.000 0.859 550 Q CB 0.418 29.167 28.738 0.018 0.000 0.946 550 Q HN 0.129 nan 8.270 nan 0.000 0.474 551 R N 0.735 121.274 120.500 0.065 0.000 2.681 551 R HA 0.190 4.532 4.340 0.004 0.000 0.277 551 R C -2.219 174.122 176.300 0.068 0.000 1.563 551 R CA -1.445 54.687 56.100 0.054 0.000 1.673 551 R CB 0.737 31.063 30.300 0.044 0.000 1.258 551 R HN 0.148 nan 8.270 nan 0.000 0.650 552 P HA -0.135 nan 4.420 nan 0.000 0.228 552 P C 0.441 177.771 177.300 0.051 0.000 1.151 552 P CA 1.067 64.220 63.100 0.087 0.000 0.770 552 P CB 0.352 32.035 31.700 -0.029 0.000 0.786 553 D N -1.250 119.166 120.400 0.026 0.000 2.348 553 D HA -0.009 4.633 4.640 0.004 0.000 0.211 553 D C 1.051 177.365 176.300 0.024 0.000 0.998 553 D CA -0.207 53.806 54.000 0.022 0.000 0.873 553 D CB -0.390 40.415 40.800 0.008 0.000 0.925 553 D HN 0.128 nan 8.370 nan 0.000 0.524 557 V N 1.248 121.173 119.914 0.019 0.000 2.709 557 V HA 0.910 5.033 4.120 0.004 0.000 0.308 557 V C -0.927 175.247 176.094 0.132 0.000 1.062 557 V CA -0.513 61.837 62.300 0.085 0.000 0.901 557 V CB 1.723 33.615 31.823 0.115 0.000 1.003 557 V HN 0.275 nan 8.190 nan 0.000 0.425 558 A N 4.995 127.921 122.820 0.177 0.000 2.343 558 A HA 0.921 5.243 4.320 0.004 0.000 0.316 558 A C -0.999 176.684 177.584 0.165 0.000 1.104 558 A CA -0.438 51.697 52.037 0.162 0.000 0.768 558 A CB 1.049 20.145 19.000 0.159 0.000 1.213 558 A HN 0.819 nan 8.150 nan 0.000 0.456 559 L N 4.442 125.745 121.223 0.133 0.000 2.495 559 L HA 0.337 4.679 4.340 0.004 0.000 0.248 559 L C -2.464 174.444 176.870 0.064 0.000 1.229 559 L CA -1.420 53.479 54.840 0.098 0.000 0.942 559 L CB 1.788 43.907 42.059 0.101 0.000 1.242 559 L HN 0.474 nan 8.230 nan 0.000 0.484 560 P HA 0.287 nan 4.420 nan 0.000 0.287 560 P C -0.659 176.633 177.300 -0.013 0.000 1.307 560 P CA -0.060 63.034 63.100 -0.009 0.000 0.777 560 P CB 1.832 33.511 31.700 -0.035 0.000 0.883 561 A N 3.821 126.631 122.820 -0.017 0.000 2.317 561 A HA 0.464 4.786 4.320 0.004 0.000 0.327 561 A C 0.651 178.214 177.584 -0.034 0.000 1.178 561 A CA -0.738 51.293 52.037 -0.010 0.000 0.817 561 A CB 0.535 19.546 19.000 0.019 0.000 1.189 561 A HN 0.343 nan 8.150 nan 0.000 0.489 562 V N 1.584 121.478 119.914 -0.033 0.000 5.359 562 V HA -0.250 3.873 4.120 0.004 0.000 0.278 562 V C 1.171 177.205 176.094 -0.100 0.000 0.622 562 V CA 0.985 63.255 62.300 -0.049 0.000 0.649 562 V CB -2.254 29.554 31.823 -0.026 0.000 0.408 562 V HN 1.415 nan 8.190 nan 0.000 0.918 563 G N -0.402 108.317 108.800 -0.136 0.000 2.539 563 G HA2 0.484 4.446 3.960 0.004 0.000 0.258 563 G HA3 0.484 4.446 3.960 0.004 0.000 0.258 563 G C -0.312 174.385 174.900 -0.339 0.000 1.202 563 G CA -0.371 44.589 45.100 -0.233 0.000 0.851 563 G HN 0.575 nan 8.290 nan 0.000 0.556 564 V N 2.406 122.051 119.914 -0.448 0.000 2.334 564 V HA 0.207 4.330 4.120 0.004 0.000 0.267 564 V C 0.743 176.529 176.094 -0.513 0.000 1.040 564 V CA -0.078 61.791 62.300 -0.720 0.000 0.866 564 V CB 0.755 32.266 31.823 -0.520 0.000 1.019 564 V HN 0.675 nan 8.190 nan 0.000 0.468 565 L N 1.931 122.934 121.223 -0.367 0.000 2.717 565 L HA 0.373 4.715 4.340 0.004 0.000 0.239 565 L C 0.901 177.792 176.870 0.035 0.000 1.086 565 L CA 0.266 54.967 54.840 -0.232 0.000 0.897 565 L CB 0.384 42.197 42.059 -0.410 0.000 1.214 565 L HN 0.567 nan 8.230 nan 0.000 0.508 569 R N -0.429 120.225 120.500 0.256 0.000 2.509 569 R HA 0.130 4.472 4.340 0.004 0.000 0.297 569 R C 1.715 178.016 176.300 0.003 0.000 0.951 569 R CA 0.114 56.229 56.100 0.024 0.000 1.103 569 R CB 0.412 30.730 30.300 0.030 0.000 1.283 569 R HN 0.366 nan 8.270 nan 0.000 0.534 570 Y N 1.200 121.749 120.300 0.414 0.000 2.193 570 Y HA -0.269 4.283 4.550 0.004 0.000 0.285 570 Y C 2.218 178.375 175.900 0.429 0.000 1.166 570 Y CA 1.717 60.206 58.100 0.650 0.000 1.181 570 Y CB -0.715 38.153 38.460 0.679 0.000 0.976 570 Y HN 0.161 nan 8.280 nan 0.000 0.520 571 H N 0.041 118.571 119.070 -0.901 0.000 2.524 571 H HA -0.007 4.551 4.556 0.004 0.000 0.282 571 H C 1.517 176.646 175.328 -0.332 0.000 1.016 571 H CA 1.400 57.056 56.048 -0.654 0.000 1.270 571 H CB -1.264 28.084 29.762 -0.691 0.000 1.394 571 H HN 0.532 nan 8.280 nan 0.000 0.568 572 T N -1.991 112.017 114.554 -0.910 0.000 3.160 572 T HA 0.065 4.417 4.350 0.004 0.000 0.257 572 T C 0.095 174.375 174.700 -0.699 0.000 1.147 572 T CA -0.268 61.351 62.100 -0.802 0.000 1.064 572 T CB -0.738 67.583 68.868 -0.910 0.000 0.949 572 T HN 0.055 nan 8.240 nan 0.000 0.526 573 F N 1.562 121.417 119.950 -0.158 0.000 2.443 573 F HA 0.478 5.007 4.527 0.004 0.000 0.335 573 F C 1.903 177.636 175.800 -0.113 0.000 1.104 573 F CA -1.311 56.633 58.000 -0.092 0.000 1.013 573 F CB 1.506 40.488 39.000 -0.030 0.000 1.136 573 F HN -0.038 nan 8.300 nan 0.000 0.470 574 T N 1.133 115.727 114.554 0.066 0.000 2.737 574 T HA -0.265 4.088 4.350 0.004 0.000 0.269 574 T C 1.956 176.608 174.700 -0.081 0.000 1.040 574 T CA 1.986 64.079 62.100 -0.011 0.000 1.142 574 T CB -0.200 68.673 68.868 0.008 0.000 0.861 574 T HN 0.662 nan 8.240 nan 0.000 0.456 575 A N 0.384 123.144 122.820 -0.100 0.000 2.014 575 A HA 0.334 4.656 4.320 0.004 0.000 0.218 575 A C 2.627 179.732 177.584 -0.798 0.000 1.163 575 A CA 1.401 53.289 52.037 -0.248 0.000 0.652 575 A CB -1.219 17.741 19.000 -0.067 0.000 0.808 575 A HN 0.634 nan 8.150 nan 0.000 0.449 576 G N -1.681 106.672 108.800 -0.745 0.000 2.598 576 G HA2 -0.055 3.908 3.960 0.004 0.000 0.215 576 G HA3 -0.055 3.908 3.960 0.004 0.000 0.215 576 G C 1.361 176.075 174.900 -0.310 0.000 1.131 576 G CA 1.342 45.898 45.100 -0.906 0.000 0.785 576 G HN 0.423 nan 8.290 nan 0.000 0.539 577 T N 0.217 114.637 114.554 -0.223 0.000 3.113 577 T HA 0.111 4.464 4.350 0.004 0.000 0.263 577 T C 2.079 176.773 174.700 -0.011 0.000 1.143 577 T CA 1.331 63.402 62.100 -0.049 0.000 1.090 577 T CB -0.204 68.642 68.868 -0.036 0.000 0.922 577 T HN 0.258 nan 8.240 nan 0.000 0.521 578 G N -1.101 107.612 108.800 -0.147 0.000 3.233 578 G HA2 0.123 4.085 3.960 0.004 0.000 0.234 578 G HA3 0.123 4.085 3.960 0.004 0.000 0.234 578 G C 0.632 175.710 174.900 0.297 0.000 1.137 578 G CA -0.308 44.809 45.100 0.027 0.000 0.763 578 G HN 0.494 nan 8.290 nan 0.000 0.549 579 W N 0.226 121.738 121.300 0.354 0.000 3.123 579 W HA 0.513 5.175 4.660 0.004 0.000 0.383 579 W C 1.613 178.321 176.519 0.315 0.000 1.102 579 W CA -0.934 56.642 57.345 0.385 0.000 1.865 579 W CB -0.719 28.963 29.460 0.369 0.000 1.111 579 W HN 0.230 nan 8.180 nan 0.000 0.621 580 A N 0.337 123.453 122.820 0.493 0.000 1.948 580 A HA -0.290 4.032 4.320 0.004 0.000 0.220 580 A C 1.786 179.535 177.584 0.275 0.000 1.177 580 A CA 1.692 53.959 52.037 0.383 0.000 0.636 580 A CB -1.158 18.003 19.000 0.269 0.000 0.815 580 A HN 0.268 nan 8.150 nan 0.000 0.449 581 Y N 0.711 121.094 120.300 0.138 0.000 2.165 581 Y HA -0.221 4.331 4.550 0.004 0.000 0.286 581 Y C 1.857 177.718 175.900 -0.065 0.000 1.155 581 Y CA 2.152 60.275 58.100 0.039 0.000 1.164 581 Y CB -0.405 38.086 38.460 0.050 0.000 0.978 581 Y HN 0.436 nan 8.280 nan 0.000 0.513 582 D N -2.171 118.119 120.400 -0.183 0.000 2.162 582 D HA -0.114 4.528 4.640 0.004 0.000 0.205 582 D C 1.320 177.449 176.300 -0.284 0.000 0.964 582 D CA 1.436 55.119 54.000 -0.528 0.000 0.847 582 D CB -0.062 39.959 40.800 -1.297 0.000 0.988 582 D HN 0.341 nan 8.370 nan 0.000 0.480 583 Y N -0.381 119.912 120.300 -0.012 0.000 2.522 583 Y HA 0.376 4.929 4.550 0.004 0.000 0.277 583 Y C 1.516 177.508 175.900 0.154 0.000 1.104 583 Y CA 0.401 58.545 58.100 0.074 0.000 1.260 583 Y CB -0.094 38.406 38.460 0.067 0.000 1.151 583 Y HN -0.047 nan 8.280 nan 0.000 0.539 584 G N 0.455 109.459 108.800 0.341 0.000 2.796 584 G HA2 0.024 3.986 3.960 0.004 0.000 0.571 584 G HA3 0.024 3.986 3.960 0.004 0.000 0.571 584 G C -0.215 174.879 174.900 0.323 0.000 1.370 584 G CA -0.295 44.947 45.100 0.237 0.000 0.856 584 G HN 0.602 nan 8.290 nan 0.000 0.538 585 T N -4.005 110.631 114.554 0.137 0.000 2.883 585 T HA 0.753 5.106 4.350 0.004 0.000 0.296 585 T C 1.461 176.155 174.700 -0.010 0.000 1.117 585 T CA 0.764 62.832 62.100 -0.053 0.000 1.006 585 T CB 1.378 69.914 68.868 -0.554 0.000 1.191 585 T HN 2.193 nan 8.240 nan 0.000 0.508 586 S N 0.034 115.717 115.700 -0.029 0.000 2.555 586 S HA 0.151 4.623 4.470 0.004 0.000 0.230 586 S C 1.686 176.459 174.600 0.289 0.000 0.978 586 S CA 0.285 58.597 58.200 0.188 0.000 0.934 586 S CB -0.591 62.664 63.200 0.092 0.000 0.766 586 S HN 1.132 nan 8.310 nan 0.000 0.533 587 A N 0.598 123.480 122.820 0.104 0.000 2.387 587 A HA 0.312 4.634 4.320 0.004 0.000 0.234 587 A C 1.236 178.955 177.584 0.226 0.000 1.253 587 A CA 0.017 52.138 52.037 0.140 0.000 0.894 587 A CB 0.003 19.025 19.000 0.038 0.000 0.963 587 A HN 0.337 nan 8.150 nan 0.000 0.508 588 D N 0.698 121.229 120.400 0.218 0.000 2.110 588 D HA 0.047 4.689 4.640 0.004 0.000 0.202 588 D C 0.994 177.406 176.300 0.186 0.000 0.975 588 D CA 1.893 55.990 54.000 0.161 0.000 0.839 588 D CB 0.113 40.968 40.800 0.091 0.000 0.996 588 D HN 0.525 nan 8.370 nan 0.000 0.464 589 S N -1.964 113.811 115.700 0.124 0.000 2.627 589 S HA 0.165 4.637 4.470 0.004 0.000 0.268 589 S C 0.414 174.560 174.600 -0.757 0.000 1.130 589 S CA -0.801 57.225 58.200 -0.290 0.000 0.819 589 S CB 1.627 64.731 63.200 -0.161 0.000 1.100 589 S HN -0.015 nan 8.310 nan 0.000 0.465 590 E N 0.636 120.086 120.200 -1.250 0.000 2.110 590 E HA 0.022 4.374 4.350 0.004 0.000 0.193 590 E C 1.129 177.632 176.600 -0.161 0.000 0.988 590 E CA 1.147 57.072 56.400 -0.792 0.000 0.804 590 E CB -0.330 29.057 29.700 -0.522 0.000 0.745 590 E HN 0.814 nan 8.360 nan 0.000 0.458 594 D N 0.718 120.898 120.400 -0.366 0.000 2.144 594 D HA -0.179 4.464 4.640 0.004 0.000 0.199 594 D C 1.777 177.907 176.300 -0.283 0.000 0.984 594 D CA 2.022 55.759 54.000 -0.438 0.000 0.834 594 D CB -0.472 40.263 40.800 -0.108 0.000 0.955 594 D HN 0.450 nan 8.370 nan 0.000 0.465 595 Y N 1.388 121.564 120.300 -0.207 0.000 2.145 595 Y HA -0.137 4.416 4.550 0.004 0.000 0.286 595 Y C 2.356 178.169 175.900 -0.146 0.000 1.145 595 Y CA 1.170 59.217 58.100 -0.088 0.000 1.148 595 Y CB -0.339 38.118 38.460 -0.004 0.000 0.981 595 Y HN -0.117 nan 8.280 nan 0.000 0.507 596 L N 0.074 121.193 121.223 -0.174 0.000 2.046 596 L HA -0.239 4.103 4.340 0.004 0.000 0.208 596 L C 2.538 179.014 176.870 -0.657 0.000 1.077 596 L CA 1.856 56.383 54.840 -0.522 0.000 0.747 596 L CB -0.545 41.352 42.059 -0.270 0.000 0.896 596 L HN 0.101 nan 8.230 nan 0.000 0.432 597 K N 0.194 120.231 120.400 -0.604 0.000 2.147 597 K HA -0.132 4.190 4.320 0.004 0.000 0.205 597 K C 2.020 178.407 176.600 -0.354 0.000 1.049 597 K CA 1.199 57.157 56.287 -0.547 0.000 0.936 597 K CB -0.246 31.794 32.500 -0.767 0.000 0.722 597 K HN 0.344 nan 8.250 nan 0.000 0.446 598 G N 0.169 108.763 108.800 -0.344 0.000 2.448 598 G HA2 -0.246 3.716 3.960 0.004 0.000 0.219 598 G HA3 -0.246 3.716 3.960 0.004 0.000 0.219 598 G C 1.172 176.014 174.900 -0.097 0.000 1.127 598 G CA 1.196 46.172 45.100 -0.206 0.000 0.766 598 G HN 0.602 nan 8.290 nan 0.000 0.552 599 Y N -1.117 119.067 120.300 -0.192 0.000 2.432 599 Y HA 0.508 5.060 4.550 0.004 0.000 0.252 599 Y C 1.116 176.956 175.900 -0.100 0.000 1.097 599 Y CA -0.624 57.401 58.100 -0.124 0.000 1.250 599 Y CB -0.328 38.110 38.460 -0.036 0.000 1.245 599 Y HN -0.003 nan 8.280 nan 0.000 0.522 600 S N 3.995 119.493 115.700 -0.338 0.000 2.737 600 S HA 0.015 4.488 4.470 0.004 0.000 0.315 600 S C -1.427 173.173 174.600 0.000 0.000 1.236 600 S CA -0.650 57.452 58.200 -0.163 0.000 1.093 600 S CB 0.458 63.663 63.200 0.007 0.000 0.832 600 S HN 0.259 nan 8.310 nan 0.000 0.507 601 P HA -0.149 nan 4.420 nan 0.000 0.215 601 P C 1.626 179.005 177.300 0.131 0.000 1.157 601 P CA 0.611 63.684 63.100 -0.045 0.000 0.874 601 P CB 0.035 31.496 31.700 -0.398 0.000 0.790 602 L N -0.786 120.467 121.223 0.050 0.000 2.042 602 L HA -0.198 4.144 4.340 0.004 0.000 0.210 602 L C 1.745 178.493 176.870 -0.204 0.000 1.076 602 L CA 2.106 56.947 54.840 0.003 0.000 0.749 602 L CB -1.441 40.492 42.059 -0.209 0.000 0.893 602 L HN 0.095 nan 8.230 nan 0.000 0.432 603 H N -1.346 117.768 119.070 0.074 0.000 2.547 603 H HA 0.188 4.746 4.556 0.004 0.000 0.266 603 H C 1.038 176.388 175.328 0.037 0.000 0.988 603 H CA 0.596 56.669 56.048 0.042 0.000 1.147 603 H CB -0.112 29.646 29.762 -0.006 0.000 1.365 603 H HN 0.392 nan 8.280 nan 0.000 0.589 604 N N 0.273 119.037 118.700 0.106 0.000 2.177 604 N HA 0.068 4.811 4.740 0.004 0.000 0.218 604 N C -0.550 175.031 175.510 0.119 0.000 1.182 604 N CA 0.117 53.227 53.050 0.101 0.000 0.882 604 N CB 1.580 40.115 38.487 0.080 0.000 1.052 604 N HN 0.016 nan 8.380 nan 0.000 0.519 605 V N 2.049 122.011 119.914 0.081 0.000 2.614 605 V HA 0.239 4.361 4.120 0.004 0.000 0.291 605 V C 0.441 176.611 176.094 0.127 0.000 1.049 605 V CA -0.014 62.309 62.300 0.038 0.000 1.038 605 V CB 0.922 32.635 31.823 -0.185 0.000 0.980 605 V HN 0.060 nan 8.190 nan 0.000 0.481 606 R N 5.438 126.087 120.500 0.248 0.000 2.686 606 R HA 0.468 4.811 4.340 0.004 0.000 0.286 606 R C -2.800 173.599 176.300 0.165 0.000 0.969 606 R CA -1.934 54.265 56.100 0.165 0.000 0.898 606 R CB 2.283 32.657 30.300 0.124 0.000 1.183 606 R HN 0.432 nan 8.270 nan 0.000 0.456 607 P HA -0.020 nan 4.420 nan 0.000 0.268 607 P C 0.534 177.870 177.300 0.061 0.000 1.205 607 P CA 0.666 63.821 63.100 0.092 0.000 0.771 607 P CB 0.925 32.669 31.700 0.072 0.000 0.858 608 G N 0.971 109.798 108.800 0.044 0.000 2.234 608 G HA2 -0.205 3.758 3.960 0.004 0.000 0.235 608 G HA3 -0.205 3.758 3.960 0.004 0.000 0.235 608 G C -0.017 174.854 174.900 -0.048 0.000 0.997 608 G CA -0.042 45.061 45.100 0.005 0.000 0.623 608 G HN 0.545 nan 8.290 nan 0.000 0.514 609 V N 1.444 121.303 119.914 -0.092 0.000 2.649 609 V HA 0.612 4.734 4.120 0.004 0.000 0.292 609 V C 0.912 176.767 176.094 -0.399 0.000 1.055 609 V CA 0.524 62.644 62.300 -0.299 0.000 1.023 609 V CB 1.715 33.235 31.823 -0.506 0.000 0.992 609 V HN 0.524 nan 8.190 nan 0.000 0.480 610 S N 4.318 119.800 115.700 -0.363 0.000 2.404 610 S HA 0.503 4.976 4.470 0.004 0.000 0.309 610 S C -0.745 173.683 174.600 -0.286 0.000 1.076 610 S CA -0.491 57.566 58.200 -0.239 0.000 1.095 610 S CB -0.278 62.833 63.200 -0.150 0.000 0.972 610 S HN 0.441 nan 8.310 nan 0.000 0.484 611 Y N 5.127 125.474 120.300 0.079 0.000 2.326 611 Y HA 0.440 4.992 4.550 0.004 0.000 0.324 611 Y C -1.501 174.532 175.900 0.221 0.000 1.291 611 Y CA -2.014 56.151 58.100 0.108 0.000 1.348 611 Y CB 0.406 38.897 38.460 0.052 0.000 1.294 611 Y HN 0.497 nan 8.280 nan 0.000 0.525 612 P HA 0.053 nan 4.420 nan 0.000 0.274 612 P C -0.772 176.630 177.300 0.168 0.000 1.256 612 P CA -0.358 62.846 63.100 0.173 0.000 0.795 612 P CB 0.682 32.451 31.700 0.115 0.000 1.038 613 S N -0.057 115.636 115.700 -0.011 0.000 2.533 613 S HA 0.266 4.738 4.470 0.004 0.000 0.282 613 S C 0.426 175.206 174.600 0.301 0.000 1.304 613 S CA 0.260 58.546 58.200 0.142 0.000 1.063 613 S CB -0.394 62.762 63.200 -0.072 0.000 0.881 613 S HN 0.471 nan 8.310 nan 0.000 0.493 617 T N -0.348 114.206 114.554 -0.001 0.000 2.887 617 T HA 0.939 5.291 4.350 0.004 0.000 0.288 617 T C -0.534 174.175 174.700 0.015 0.000 1.021 617 T CA -0.526 61.572 62.100 -0.005 0.000 1.000 617 T CB 2.298 71.150 68.868 -0.027 0.000 1.034 617 T HN 1.253 nan 8.240 nan 0.000 0.467 618 T N -0.211 114.359 114.554 0.028 0.000 2.770 618 T HA 0.615 4.967 4.350 0.004 0.000 0.323 618 T C -1.174 173.544 174.700 0.030 0.000 1.683 618 T CA -0.141 61.969 62.100 0.017 0.000 1.024 618 T CB 0.943 69.811 68.868 0.001 0.000 1.557 618 T HN 1.280 nan 8.240 nan 0.000 0.494 619 A N 1.446 124.269 122.820 0.005 0.000 2.271 619 A HA 0.567 4.889 4.320 0.004 0.000 0.288 619 A C 1.201 178.788 177.584 0.004 0.000 1.094 619 A CA 0.341 52.386 52.037 0.013 0.000 0.828 619 A CB 0.188 19.199 19.000 0.018 0.000 1.091 619 A HN 0.964 nan 8.150 nan 0.000 0.493 620 D N -0.390 119.994 120.400 -0.027 0.000 2.178 620 D HA -0.064 4.578 4.640 0.004 0.000 0.202 620 D C 0.169 176.209 176.300 -0.434 0.000 0.974 620 D CA 1.514 55.424 54.000 -0.150 0.000 0.841 620 D CB -0.198 40.436 40.800 -0.275 0.000 0.953 620 D HN 0.507 nan 8.370 nan 0.000 0.478 621 H N -0.863 118.250 119.070 0.072 0.000 2.865 621 H HA 0.552 5.111 4.556 0.004 0.000 0.362 621 H C -1.284 174.049 175.328 0.008 0.000 1.114 621 H CA -0.677 55.391 56.048 0.033 0.000 1.208 621 H CB 2.011 31.804 29.762 0.052 0.000 1.727 621 H HN 0.012 nan 8.280 nan 0.000 0.534 622 D N 1.968 122.424 120.400 0.092 0.000 2.726 622 D HA 0.009 4.651 4.640 0.004 0.000 0.203 622 D C -0.332 175.993 176.300 0.042 0.000 1.297 622 D CA -0.404 53.628 54.000 0.054 0.000 0.863 622 D CB 1.318 42.126 40.800 0.014 0.000 1.669 622 D HN 0.640 nan 8.370 nan 0.000 0.561 623 D N 2.250 122.686 120.400 0.060 0.000 2.339 623 D HA 0.048 4.690 4.640 0.004 0.000 0.217 623 D C 1.470 177.820 176.300 0.083 0.000 1.050 623 D CA 0.135 54.171 54.000 0.060 0.000 0.856 623 D CB 0.444 41.280 40.800 0.060 0.000 0.922 623 D HN 0.278 nan 8.370 nan 0.000 0.518 624 R N 0.146 120.710 120.500 0.107 0.000 2.055 624 R HA 0.178 4.521 4.340 0.004 0.000 0.221 624 R C -0.308 176.161 176.300 0.281 0.000 1.154 624 R CA 0.656 56.863 56.100 0.178 0.000 0.975 624 R CB 0.325 30.719 30.300 0.156 0.000 0.869 624 R HN 0.040 nan 8.270 nan 0.000 0.437 625 V N 3.527 123.564 119.914 0.205 0.000 2.325 625 V HA 0.200 4.322 4.120 0.004 0.000 0.280 625 V C -0.234 175.905 176.094 0.076 0.000 1.016 625 V CA -0.947 61.493 62.300 0.233 0.000 0.818 625 V CB 1.280 33.173 31.823 0.117 0.000 1.019 625 V HN 0.206 nan 8.190 nan 0.000 0.434 626 V N 3.981 123.894 119.914 -0.001 0.000 2.788 626 V HA 0.186 4.308 4.120 0.004 0.000 0.307 626 V C -1.384 174.524 176.094 -0.310 0.000 1.069 626 V CA -0.658 61.498 62.300 -0.240 0.000 1.173 626 V CB 0.420 31.879 31.823 -0.606 0.000 0.925 626 V HN 0.618 nan 8.190 nan 0.000 0.492 627 P HA -0.060 nan 4.420 nan 0.000 0.222 627 P C 1.662 178.352 177.300 -1.017 0.000 1.147 627 P CA 1.785 64.394 63.100 -0.819 0.000 0.790 627 P CB 0.045 31.064 31.700 -1.135 0.000 0.780 628 A N -0.226 122.147 122.820 -0.746 0.000 1.927 628 A HA -0.304 4.019 4.320 0.004 0.000 0.220 628 A C 2.109 179.469 177.584 -0.374 0.000 1.185 628 A CA 1.788 53.502 52.037 -0.538 0.000 0.639 628 A CB -1.711 16.948 19.000 -0.569 0.000 0.820 628 A HN 0.254 nan 8.150 nan 0.000 0.451 629 H N -0.431 118.472 119.070 -0.279 0.000 2.267 629 H HA -0.093 4.465 4.556 0.004 0.000 0.297 629 H C 2.656 177.941 175.328 -0.072 0.000 1.080 629 H CA 1.856 57.825 56.048 -0.133 0.000 1.278 629 H CB -0.570 29.116 29.762 -0.128 0.000 1.365 629 H HN 0.505 nan 8.280 nan 0.000 0.489 630 S N 0.628 116.345 115.700 0.028 0.000 2.368 630 S HA -0.109 4.364 4.470 0.004 0.000 0.225 630 S C 2.038 176.808 174.600 0.284 0.000 1.030 630 S CA 0.832 59.107 58.200 0.125 0.000 0.999 630 S CB -0.247 62.996 63.200 0.072 0.000 0.844 630 S HN 0.178 nan 8.310 nan 0.000 0.459 631 F N 1.956 121.907 119.950 0.001 0.000 2.075 631 F HA -0.020 4.510 4.527 0.004 0.000 0.297 631 F C 2.226 177.872 175.800 -0.257 0.000 1.113 631 F CA 0.773 58.711 58.000 -0.103 0.000 1.218 631 F CB -1.044 37.738 39.000 -0.363 0.000 0.984 631 F HN 0.185 nan 8.300 nan 0.000 0.472 632 K N -0.961 119.417 120.400 -0.036 0.000 2.097 632 K HA -0.184 4.139 4.320 0.004 0.000 0.205 632 K C 2.115 178.697 176.600 -0.029 0.000 1.050 632 K CA 1.232 57.451 56.287 -0.114 0.000 0.938 632 K CB -0.625 31.857 32.500 -0.029 0.000 0.718 632 K HN 0.129 nan 8.250 nan 0.000 0.442 633 F N 1.949 121.846 119.950 -0.088 0.000 2.102 633 F HA -0.168 4.362 4.527 0.004 0.000 0.298 633 F C 2.265 177.990 175.800 -0.125 0.000 1.105 633 F CA 1.319 59.259 58.000 -0.100 0.000 1.239 633 F CB -0.484 38.472 39.000 -0.072 0.000 0.991 633 F HN -0.038 nan 8.300 nan 0.000 0.474 634 A N 0.248 123.040 122.820 -0.047 0.000 1.902 634 A HA -0.040 4.282 4.320 0.004 0.000 0.217 634 A C 2.421 179.853 177.584 -0.254 0.000 1.181 634 A CA 1.774 53.711 52.037 -0.167 0.000 0.623 634 A CB -1.558 17.463 19.000 0.036 0.000 0.818 634 A HN 0.483 nan 8.150 nan 0.000 0.443 635 A N -0.877 121.800 122.820 -0.238 0.000 1.908 635 A HA -0.113 4.209 4.320 0.004 0.000 0.218 635 A C 2.308 179.574 177.584 -0.530 0.000 1.181 635 A CA 2.379 54.123 52.037 -0.489 0.000 0.627 635 A CB -1.260 17.059 19.000 -1.135 0.000 0.818 635 A HN 0.440 nan 8.150 nan 0.000 0.445 636 T N 0.349 114.658 114.554 -0.409 0.000 2.777 636 T HA -0.035 4.317 4.350 0.004 0.000 0.266 636 T C 1.818 176.358 174.700 -0.267 0.000 1.040 636 T CA 1.302 63.306 62.100 -0.161 0.000 1.141 636 T CB -0.346 68.474 68.868 -0.080 0.000 0.868 636 T HN 0.353 nan 8.240 nan 0.000 0.444 637 L N 0.768 121.704 121.223 -0.477 0.000 2.046 637 L HA -0.161 4.181 4.340 0.004 0.000 0.208 637 L C 2.903 179.576 176.870 -0.330 0.000 1.077 637 L CA 1.455 55.995 54.840 -0.500 0.000 0.747 637 L CB -0.554 41.113 42.059 -0.654 0.000 0.896 637 L HN 0.334 nan 8.230 nan 0.000 0.432 638 Q N -0.629 118.917 119.800 -0.424 0.000 2.167 638 Q HA -0.153 4.189 4.340 0.004 0.000 0.202 638 Q C 2.355 178.241 176.000 -0.190 0.000 0.970 638 Q CA 1.437 56.906 55.803 -0.557 0.000 0.855 638 Q CB -0.152 28.064 28.738 -0.869 0.000 0.911 638 Q HN 0.560 nan 8.270 nan 0.000 0.438 639 A N 0.962 123.725 122.820 -0.096 0.000 1.930 639 A HA -0.143 4.179 4.320 0.004 0.000 0.215 639 A C 1.320 178.945 177.584 0.067 0.000 1.176 639 A CA 1.470 53.537 52.037 0.049 0.000 0.632 639 A CB -0.004 19.083 19.000 0.145 0.000 0.819 639 A HN 0.176 nan 8.150 nan 0.000 0.445 640 D N -0.633 119.792 120.400 0.042 0.000 2.277 640 D HA 0.020 4.662 4.640 0.004 0.000 0.209 640 D C 0.594 176.984 176.300 0.149 0.000 0.970 640 D CA 0.137 54.194 54.000 0.095 0.000 0.874 640 D CB -0.477 40.385 40.800 0.103 0.000 0.982 640 D HN 0.391 nan 8.370 nan 0.000 0.504 641 N N 0.425 119.222 118.700 0.162 0.000 2.412 641 N HA 0.090 4.832 4.740 0.004 0.000 0.258 641 N C 0.373 175.959 175.510 0.127 0.000 1.236 641 N CA 0.239 53.428 53.050 0.231 0.000 0.882 641 N CB 0.901 39.528 38.487 0.234 0.000 1.066 641 N HN -0.030 nan 8.380 nan 0.000 0.465 642 A N 2.452 125.311 122.820 0.066 0.000 2.343 642 A HA 0.370 4.692 4.320 0.004 0.000 0.223 642 A C 0.993 178.568 177.584 -0.015 0.000 1.214 642 A CA 0.349 52.400 52.037 0.023 0.000 0.900 642 A CB -0.295 18.705 19.000 -0.001 0.000 0.942 642 A HN 0.668 nan 8.150 nan 0.000 0.507 643 G N -0.036 108.740 108.800 -0.041 0.000 2.525 643 G HA2 0.444 4.407 3.960 0.004 0.000 0.287 643 G HA3 0.444 4.407 3.960 0.004 0.000 0.287 643 G C -1.052 173.771 174.900 -0.128 0.000 1.350 643 G CA -0.436 44.590 45.100 -0.124 0.000 1.039 643 G HN 0.071 nan 8.290 nan 0.000 0.513 644 P HA 0.022 nan 4.420 nan 0.000 0.241 644 P C -0.085 177.181 177.300 -0.056 0.000 1.191 644 P CA 0.394 63.398 63.100 -0.159 0.000 0.771 644 P CB 0.035 31.632 31.700 -0.172 0.000 0.929 645 H N 2.712 121.820 119.070 0.062 0.000 2.610 645 H HA 0.233 4.791 4.556 0.004 0.000 0.336 645 H C -1.877 173.516 175.328 0.108 0.000 1.087 645 H CA -2.267 53.830 56.048 0.081 0.000 1.405 645 H CB 0.345 30.160 29.762 0.088 0.000 1.460 645 H HN 0.161 nan 8.280 nan 0.000 0.538 646 P HA -0.018 nan 4.420 nan 0.000 0.275 646 P C -0.857 176.565 177.300 0.204 0.000 1.227 646 P CA -0.433 62.748 63.100 0.135 0.000 0.781 646 P CB 1.122 32.708 31.700 -0.192 0.000 0.906 647 Q N 3.031 122.947 119.800 0.194 0.000 2.456 647 Q HA 0.444 4.786 4.340 0.004 0.000 0.252 647 Q C -0.243 175.703 176.000 -0.091 0.000 1.042 647 Q CA -0.325 55.474 55.803 -0.006 0.000 0.766 647 Q CB 1.213 29.849 28.738 -0.170 0.000 1.196 647 Q HN 0.516 nan 8.270 nan 0.000 0.504 648 L N 1.942 123.104 121.223 -0.102 0.000 2.334 648 L HA 0.663 5.005 4.340 0.004 0.000 0.270 648 L C -0.042 176.717 176.870 -0.186 0.000 1.018 648 L CA -1.103 53.639 54.840 -0.163 0.000 0.811 648 L CB 1.817 43.727 42.059 -0.247 0.000 1.271 648 L HN 0.428 nan 8.230 nan 0.000 0.443 649 I N 1.585 122.045 120.570 -0.184 0.000 2.498 649 I HA 0.426 4.599 4.170 0.004 0.000 0.290 649 I C -0.792 175.238 176.117 -0.145 0.000 1.032 649 I CA -0.539 60.682 61.300 -0.132 0.000 1.073 649 I CB 1.859 39.814 38.000 -0.074 0.000 1.251 649 I HN 0.635 nan 8.210 nan 0.000 0.426 650 R N 7.777 128.215 120.500 -0.103 0.000 2.337 650 R HA 0.561 4.903 4.340 0.004 0.000 0.319 650 R C -1.806 174.475 176.300 -0.032 0.000 0.954 650 R CA -0.622 55.423 56.100 -0.091 0.000 0.840 650 R CB 0.956 31.190 30.300 -0.109 0.000 1.164 650 R HN 0.590 nan 8.270 nan 0.000 0.472 651 I N 3.387 123.943 120.570 -0.024 0.000 2.307 651 I HA 0.189 4.361 4.170 0.004 0.000 0.289 651 I C 0.021 176.144 176.117 0.010 0.000 1.021 651 I CA -0.601 60.721 61.300 0.037 0.000 1.224 651 I CB 1.538 39.579 38.000 0.068 0.000 1.376 651 I HN 0.498 nan 8.210 nan 0.000 0.470 652 E N 5.031 125.240 120.200 0.014 0.000 2.316 652 E HA 0.334 4.687 4.350 0.004 0.000 0.275 652 E C -0.109 176.498 176.600 0.012 0.000 1.029 652 E CA -0.088 56.314 56.400 0.004 0.000 0.871 652 E CB 0.646 30.348 29.700 0.003 0.000 1.022 652 E HN 0.697 nan 8.360 nan 0.000 0.418 662 P HA 0.047 nan 4.420 nan 0.000 0.221 662 P C 1.466 178.749 177.300 -0.028 0.000 1.145 662 P CA 0.759 63.854 63.100 -0.008 0.000 0.795 662 P CB -0.151 31.559 31.700 0.018 0.000 0.775 663 V N 0.813 120.705 119.914 -0.036 0.000 2.379 663 V HA -0.172 3.950 4.120 0.004 0.000 0.245 663 V C 2.826 178.755 176.094 -0.276 0.000 1.044 663 V CA 2.029 64.274 62.300 -0.093 0.000 1.036 663 V CB -1.513 30.291 31.823 -0.033 0.000 0.664 663 V HN 0.097 nan 8.190 nan 0.000 0.453 664 A N -0.479 122.228 122.820 -0.189 0.000 1.933 664 A HA -0.196 4.126 4.320 0.004 0.000 0.218 664 A C 2.287 179.755 177.584 -0.194 0.000 1.175 664 A CA 1.539 53.455 52.037 -0.202 0.000 0.628 664 A CB -0.368 18.564 19.000 -0.113 0.000 0.814 664 A HN 0.402 nan 8.150 nan 0.000 0.444 665 K N -0.188 120.131 120.400 -0.135 0.000 2.057 665 K HA -0.037 4.286 4.320 0.004 0.000 0.207 665 K C 1.919 178.440 176.600 -0.131 0.000 1.049 665 K CA 1.174 57.400 56.287 -0.102 0.000 0.931 665 K CB -0.625 31.843 32.500 -0.053 0.000 0.714 665 K HN 0.556 nan 8.250 nan 0.000 0.440 666 L N 0.531 121.660 121.223 -0.156 0.000 2.093 666 L HA -0.126 4.216 4.340 0.004 0.000 0.208 666 L C 2.451 179.119 176.870 -0.338 0.000 1.085 666 L CA 0.883 55.640 54.840 -0.139 0.000 0.755 666 L CB -0.381 41.693 42.059 0.026 0.000 0.904 666 L HN 0.092 nan 8.230 nan 0.000 0.435 667 I N -0.293 119.885 120.570 -0.654 0.000 2.252 667 I HA -0.266 3.906 4.170 0.004 0.000 0.245 667 I C 2.577 178.526 176.117 -0.281 0.000 1.102 667 I CA 1.031 61.907 61.300 -0.706 0.000 1.385 667 I CB -0.132 37.435 38.000 -0.722 0.000 1.064 667 I HN 0.229 nan 8.210 nan 0.000 0.414 668 E N 0.910 120.984 120.200 -0.210 0.000 2.077 668 E HA -0.292 4.061 4.350 0.004 0.000 0.193 668 E C 2.119 178.666 176.600 -0.089 0.000 0.989 668 E CA 1.511 57.843 56.400 -0.114 0.000 0.800 668 E CB -0.123 29.521 29.700 -0.094 0.000 0.746 668 E HN 0.405 nan 8.360 nan 0.000 0.452 669 Q N -0.676 119.064 119.800 -0.101 0.000 2.079 669 Q HA -0.097 4.245 4.340 0.004 0.000 0.200 669 Q C 2.147 178.074 176.000 -0.121 0.000 0.974 669 Q CA 1.666 57.416 55.803 -0.089 0.000 0.840 669 Q CB -0.099 28.596 28.738 -0.072 0.000 0.898 669 Q HN 0.191 nan 8.270 nan 0.000 0.430 670 S N 0.094 115.717 115.700 -0.127 0.000 2.383 670 S HA -0.117 4.355 4.470 0.004 0.000 0.227 670 S C 1.879 176.358 174.600 -0.202 0.000 1.026 670 S CA 0.879 58.934 58.200 -0.241 0.000 0.981 670 S CB -0.260 62.924 63.200 -0.027 0.000 0.818 670 S HN 0.563 nan 8.310 nan 0.000 0.472 671 A N 1.909 124.722 122.820 -0.012 0.000 1.902 671 A HA -0.152 4.171 4.320 0.004 0.000 0.217 671 A C 1.815 179.462 177.584 0.105 0.000 1.181 671 A CA 1.726 53.826 52.037 0.106 0.000 0.623 671 A CB -0.664 18.386 19.000 0.082 0.000 0.818 671 A HN 0.346 nan 8.150 nan 0.000 0.443 672 D N 0.084 120.503 120.400 0.031 0.000 2.097 672 D HA -0.124 4.518 4.640 0.004 0.000 0.195 672 D C 1.926 178.287 176.300 0.101 0.000 0.989 672 D CA 0.999 55.033 54.000 0.056 0.000 0.827 672 D CB -0.275 40.520 40.800 -0.008 0.000 0.966 672 D HN 0.318 nan 8.370 nan 0.000 0.456 673 I N 0.470 121.029 120.570 -0.017 0.000 2.127 673 I HA -0.270 3.902 4.170 0.004 0.000 0.241 673 I C 2.282 178.499 176.117 0.167 0.000 1.075 673 I CA 1.262 62.555 61.300 -0.011 0.000 1.334 673 I CB -1.181 36.676 38.000 -0.239 0.000 1.040 673 I HN 0.060 nan 8.210 nan 0.000 0.405 674 Y N 1.137 121.554 120.300 0.195 0.000 2.242 674 Y HA -0.061 4.491 4.550 0.004 0.000 0.291 674 Y C 2.706 178.836 175.900 0.384 0.000 1.137 674 Y CA 0.695 58.966 58.100 0.285 0.000 1.181 674 Y CB -1.395 37.270 38.460 0.342 0.000 0.989 674 Y HN 0.125 nan 8.280 nan 0.000 0.527 675 A N -0.214 122.907 122.820 0.501 0.000 1.877 675 A HA -0.217 4.105 4.320 0.004 0.000 0.216 675 A C 2.188 180.076 177.584 0.506 0.000 1.186 675 A CA 1.532 53.868 52.037 0.498 0.000 0.620 675 A CB -1.363 17.827 19.000 0.316 0.000 0.822 675 A HN 0.418 nan 8.150 nan 0.000 0.443 676 F N 1.430 121.555 119.950 0.292 0.000 2.102 676 F HA -0.163 4.367 4.527 0.004 0.000 0.298 676 F C 2.496 178.514 175.800 0.362 0.000 1.105 676 F CA 2.336 60.521 58.000 0.308 0.000 1.239 676 F CB -0.729 38.399 39.000 0.212 0.000 0.991 676 F HN 0.214 nan 8.300 nan 0.000 0.474 677 T N 1.626 116.434 114.554 0.422 0.000 2.652 677 T HA -0.205 4.147 4.350 0.004 0.000 0.267 677 T C 2.151 177.046 174.700 0.325 0.000 1.039 677 T CA 1.982 64.261 62.100 0.298 0.000 1.153 677 T CB -0.637 68.429 68.868 0.330 0.000 0.863 677 T HN 0.244 nan 8.240 nan 0.000 0.428 678 L N -0.586 120.918 121.223 0.468 0.000 2.093 678 L HA -0.072 4.270 4.340 0.004 0.000 0.208 678 L C 2.406 179.597 176.870 0.535 0.000 1.085 678 L CA 1.388 56.520 54.840 0.488 0.000 0.755 678 L CB -0.580 41.658 42.059 0.297 0.000 0.904 678 L HN 0.249 nan 8.230 nan 0.000 0.435 679 Y N 0.965 121.492 120.300 0.378 0.000 2.181 679 Y HA -0.143 4.409 4.550 0.004 0.000 0.288 679 Y C 1.839 177.792 175.900 0.088 0.000 1.146 679 Y CA 0.989 59.241 58.100 0.254 0.000 1.164 679 Y CB 0.079 38.607 38.460 0.114 0.000 0.982 679 Y HN 0.116 nan 8.280 nan 0.000 0.515 683 Y N 1.892 122.206 120.300 0.024 0.000 2.496 683 Y HA 0.316 4.868 4.550 0.004 0.000 0.334 683 Y C 1.932 177.961 175.900 0.215 0.000 1.080 683 Y CA 0.201 58.348 58.100 0.078 0.000 1.355 683 Y CB 0.824 39.305 38.460 0.035 0.000 1.193 683 Y HN 0.019 nan 8.280 nan 0.000 0.523 684 R N 1.643 122.313 120.500 0.283 0.000 2.127 684 R HA 0.063 4.406 4.340 0.004 0.000 0.217 684 R C -0.229 176.323 176.300 0.420 0.000 1.074 684 R CA 0.788 57.062 56.100 0.291 0.000 0.991 684 R CB 0.280 30.667 30.300 0.146 0.000 0.895 684 R HN 0.681 nan 8.270 nan 0.000 0.450 685 E N 0.190 120.573 120.200 0.304 0.000 2.393 685 E HA 0.301 4.653 4.350 0.004 0.000 0.273 685 E C -0.908 175.618 176.600 -0.124 0.000 0.918 685 E CA -0.800 55.703 56.400 0.171 0.000 0.773 685 E CB 2.196 31.963 29.700 0.113 0.000 1.275 685 E HN -0.071 nan 8.360 nan 0.000 0.451 686 L N 2.111 123.117 121.223 -0.362 0.000 2.506 686 L HA 0.004 4.347 4.340 0.004 0.000 0.281 686 L C -1.477 175.200 176.870 -0.322 0.000 1.228 686 L CA -0.826 53.712 54.840 -0.503 0.000 0.850 686 L CB -0.035 41.801 42.059 -0.371 0.000 1.110 686 L HN 0.397 nan 8.230 nan 0.000 0.496 687 P HA -0.047 nan 4.420 nan 0.000 0.218 687 P C -0.208 176.973 177.300 -0.198 0.000 1.149 687 P CA 1.236 64.127 63.100 -0.347 0.000 0.817 687 P CB 0.295 31.651 31.700 -0.572 0.000 0.785 688 R N -0.950 119.424 120.500 -0.210 0.000 2.795 688 R HA 0.312 4.654 4.340 0.004 0.000 0.275 688 R C -0.274 175.964 176.300 -0.104 0.000 0.981 688 R CA -0.960 55.062 56.100 -0.131 0.000 0.917 688 R CB 0.458 30.681 30.300 -0.128 0.000 1.202 688 R HN 0.043 nan 8.270 nan 0.000 0.469 689 Q N 2.347 122.110 119.800 -0.062 0.000 2.330 689 Q HA 0.143 4.486 4.340 0.004 0.000 0.279 689 Q C -1.714 174.268 176.000 -0.030 0.000 1.024 689 Q CA -1.028 54.753 55.803 -0.037 0.000 0.900 689 Q CB 0.439 29.165 28.738 -0.021 0.000 1.221 689 Q HN 0.213 nan 8.270 nan 0.000 0.396 690 P HA 0.000 nan 4.420 nan 0.000 0.216 690 P CA 0.000 63.105 63.100 0.008 0.000 0.800 690 P CB 0.000 31.718 31.700 0.029 0.000 0.726