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 3ium_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 YSSYDKPXXX 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 XXXXXPVAKL 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 0.000 176.446 176.870 -0.706 0.000 1.165 7 L CA 0.000 54.642 54.840 -0.329 0.000 0.813 7 L CB 0.000 41.966 42.059 -0.154 0.000 0.961 8 H N 0.077 119.011 119.070 -0.226 0.000 2.658 8 H HA 0.650 5.206 4.556 0.000 0.000 0.337 8 H C -1.337 173.876 175.328 -0.193 0.000 1.009 8 H CA -0.395 55.509 56.048 -0.241 0.000 1.231 8 H CB 1.356 31.066 29.762 -0.088 0.000 1.508 8 H HN 0.429 nan 8.280 nan 0.000 0.517 9 Y N 1.935 122.291 120.300 0.094 0.000 2.357 9 Y HA 0.198 4.748 4.550 0.000 0.000 0.340 9 Y C -1.434 174.506 175.900 0.067 0.000 1.260 9 Y CA -2.140 55.986 58.100 0.044 0.000 1.425 9 Y CB -0.352 38.122 38.460 0.025 0.000 1.326 9 Y HN 0.583 nan 8.280 nan 0.000 0.580 10 P HA -0.015 nan 4.420 nan 0.000 0.281 10 P C -0.916 176.511 177.300 0.211 0.000 1.274 10 P CA -0.334 62.847 63.100 0.136 0.000 0.794 10 P CB 0.308 32.014 31.700 0.010 0.000 1.201 11 V N 0.459 120.507 119.914 0.223 0.000 2.313 11 V HA 0.094 4.214 4.120 0.000 0.000 0.252 11 V C 0.248 176.577 176.094 0.393 0.000 1.112 11 V CA 0.492 62.943 62.300 0.251 0.000 0.984 11 V CB -0.673 31.260 31.823 0.183 0.000 1.157 11 V HN 0.430 nan 8.190 nan 0.000 0.493 12 T N 5.651 120.442 114.554 0.394 0.000 3.262 12 T HA 0.261 4.612 4.350 0.000 0.000 0.374 12 T C 0.515 175.495 174.700 0.466 0.000 1.504 12 T CA -0.593 61.792 62.100 0.474 0.000 1.158 12 T CB -0.180 68.892 68.868 0.340 0.000 1.157 12 T HN 0.824 nan 8.240 nan 0.000 0.644 13 R N 1.830 122.574 120.500 0.407 0.000 2.734 13 R HA 0.259 4.599 4.340 0.000 0.000 0.266 13 R C -0.581 175.951 176.300 0.386 0.000 1.044 13 R CA -0.325 55.926 56.100 0.253 0.000 1.128 13 R CB 0.432 30.730 30.300 -0.004 0.000 1.010 13 R HN 0.389 nan 8.270 nan 0.000 0.461 14 Q N 1.204 121.123 119.800 0.198 0.000 2.314 14 Q HA 0.302 4.642 4.340 0.000 0.000 0.259 14 Q C 0.193 176.199 176.000 0.010 0.000 0.951 14 Q CA -0.410 55.429 55.803 0.061 0.000 0.909 14 Q CB 2.183 30.900 28.738 -0.035 0.000 1.236 14 Q HN 0.872 nan 8.270 nan 0.000 0.444 15 G N 1.623 110.442 108.800 0.032 0.000 2.735 15 G HA2 0.092 4.052 3.960 0.000 0.000 0.192 15 G HA3 0.092 4.052 3.960 0.000 0.000 0.192 15 G C 0.095 174.981 174.900 -0.024 0.000 1.547 15 G CA -0.109 45.001 45.100 0.018 0.000 1.080 15 G HN 0.733 nan 8.290 nan 0.000 0.569 16 E N -1.809 118.386 120.200 -0.008 0.000 2.614 16 E HA 0.016 4.367 4.350 0.000 0.000 0.192 16 E C 0.106 176.701 176.600 -0.009 0.000 0.930 16 E CA -0.264 56.124 56.400 -0.020 0.000 1.346 16 E CB 0.616 30.307 29.700 -0.016 0.000 1.252 16 E HN 0.284 nan 8.360 nan 0.000 0.647 17 Q N 2.397 122.204 119.800 0.011 0.000 2.575 17 Q HA -0.035 4.305 4.340 0.000 0.000 0.277 17 Q C -0.771 175.226 176.000 -0.004 0.000 1.334 17 Q CA 0.477 56.289 55.803 0.015 0.000 0.972 17 Q CB -0.583 28.183 28.738 0.045 0.000 1.473 17 Q HN -0.044 nan 8.270 nan 0.000 0.505 18 V N 3.870 123.770 119.914 -0.024 0.000 2.649 18 V HA 0.290 4.410 4.120 0.000 0.000 0.292 18 V C 0.197 176.227 176.094 -0.106 0.000 1.055 18 V CA -0.253 62.005 62.300 -0.071 0.000 1.023 18 V CB 1.577 33.352 31.823 -0.080 0.000 0.992 18 V HN 0.664 nan 8.190 nan 0.000 0.480 19 D N 1.356 121.625 120.400 -0.218 0.000 2.646 19 D HA 0.440 5.081 4.640 0.000 0.000 0.245 19 D C -0.981 174.918 176.300 -0.670 0.000 1.099 19 D CA -0.460 53.322 54.000 -0.363 0.000 0.849 19 D CB 1.918 42.504 40.800 -0.357 0.000 1.448 19 D HN 0.592 nan 8.370 nan 0.000 0.489 20 H N 0.587 119.270 119.070 -0.644 0.000 2.463 20 H HA 0.411 4.967 4.556 0.000 0.000 0.332 20 H C -0.866 173.935 175.328 -0.878 0.000 1.127 20 H CA -0.166 55.535 56.048 -0.578 0.000 1.238 20 H CB 0.884 30.454 29.762 -0.320 0.000 1.478 20 H HN 0.231 nan 8.280 nan 0.000 0.499 21 Y N 2.313 122.442 120.300 -0.285 0.000 2.317 21 Y HA 0.226 4.776 4.550 0.000 0.000 0.325 21 Y C -0.754 174.819 175.900 -0.545 0.000 1.066 21 Y CA -1.701 56.008 58.100 -0.652 0.000 1.203 21 Y CB 0.225 38.002 38.460 -1.139 0.000 1.127 21 Y HN 0.661 nan 8.280 nan 0.000 0.451 22 F N 1.319 121.151 119.950 -0.197 0.000 3.040 22 F HA -0.153 4.374 4.527 0.000 0.000 0.298 22 F C 1.449 177.219 175.800 -0.050 0.000 0.948 22 F CA 1.164 59.095 58.000 -0.116 0.000 1.022 22 F CB -1.371 37.557 39.000 -0.120 0.000 1.023 22 F HN 0.864 nan 8.300 nan 0.000 0.742 23 G N -1.019 107.813 108.800 0.053 0.000 2.302 23 G HA2 -0.356 3.604 3.960 0.000 0.000 0.263 23 G HA3 -0.356 3.604 3.960 0.000 0.000 0.263 23 G C 0.397 175.385 174.900 0.147 0.000 0.995 23 G CA 0.490 45.645 45.100 0.091 0.000 0.622 23 G HN 0.589 nan 8.290 nan 0.000 0.538 24 Q N 0.578 120.453 119.800 0.125 0.000 2.288 24 Q HA 0.590 4.930 4.340 0.000 0.000 0.254 24 Q C 0.196 176.196 176.000 0.000 0.000 0.932 24 Q CA 0.265 56.149 55.803 0.135 0.000 0.902 24 Q CB 1.512 30.426 28.738 0.292 0.000 1.203 24 Q HN 0.675 nan 8.270 nan 0.000 0.415 25 A N 2.728 125.508 122.820 -0.067 0.000 2.260 25 A HA 0.546 4.866 4.320 0.000 0.000 0.314 25 A C -0.601 176.883 177.584 -0.167 0.000 1.257 25 A CA -0.539 51.289 52.037 -0.348 0.000 0.871 25 A CB 0.657 19.488 19.000 -0.282 0.000 1.166 25 A HN 0.479 nan 8.150 nan 0.000 0.522 26 V N 2.469 122.264 119.914 -0.198 0.000 2.482 26 V HA 0.600 4.720 4.120 0.000 0.000 0.295 26 V C 0.582 176.627 176.094 -0.081 0.000 1.026 26 V CA -0.527 61.736 62.300 -0.061 0.000 0.856 26 V CB 1.108 32.960 31.823 0.048 0.000 1.001 26 V HN 1.164 nan 8.190 nan 0.000 0.424 27 A N 2.963 125.758 122.820 -0.041 0.000 2.351 27 A HA 0.604 4.924 4.320 0.000 0.000 0.257 27 A C 0.005 177.606 177.584 0.029 0.000 1.087 27 A CA -0.050 51.971 52.037 -0.027 0.000 0.798 27 A CB 0.380 19.363 19.000 -0.028 0.000 1.033 27 A HN 0.981 nan 8.150 nan 0.000 0.488 28 D N 1.129 121.539 120.400 0.017 0.000 2.513 28 D HA 0.329 4.969 4.640 0.000 0.000 0.295 28 D C -1.663 174.616 176.300 -0.035 0.000 1.202 28 D CA -1.246 52.784 54.000 0.051 0.000 0.849 28 D CB 0.837 41.696 40.800 0.098 0.000 1.116 28 D HN 0.202 nan 8.370 nan 0.000 0.502 29 P HA -0.159 nan 4.420 nan 0.000 0.221 29 P C -0.286 176.775 177.300 -0.399 0.000 1.145 29 P CA 0.840 63.712 63.100 -0.380 0.000 0.795 29 P CB -0.042 31.272 31.700 -0.643 0.000 0.775 30 Y N -0.268 120.078 120.300 0.076 0.000 2.726 30 Y HA 0.387 4.937 4.550 0.000 0.000 0.367 30 Y C 1.790 177.607 175.900 -0.140 0.000 1.038 30 Y CA -0.890 57.168 58.100 -0.070 0.000 1.174 30 Y CB 0.125 38.452 38.460 -0.222 0.000 1.265 30 Y HN -0.225 nan 8.280 nan 0.000 0.622 31 R N 1.362 121.947 120.500 0.142 0.000 2.066 31 R HA -0.037 4.303 4.340 0.000 0.000 0.224 31 R C 1.875 178.238 176.300 0.105 0.000 1.122 31 R CA 1.829 58.002 56.100 0.122 0.000 0.974 31 R CB -0.628 29.763 30.300 0.153 0.000 0.871 31 R HN 0.589 nan 8.270 nan 0.000 0.435 32 W N 1.023 122.334 121.300 0.018 0.000 2.308 32 W HA -0.213 4.447 4.660 0.000 0.000 0.301 32 W C 1.334 177.848 176.519 -0.008 0.000 1.220 32 W CA 0.726 58.071 57.345 0.001 0.000 1.240 32 W CB -1.353 28.093 29.460 -0.023 0.000 1.142 32 W HN 0.117 nan 8.180 nan 0.000 0.521 33 L N 1.174 122.010 121.223 -0.645 0.000 2.261 33 L HA -0.165 4.175 4.340 0.000 0.000 0.216 33 L C 2.455 179.245 176.870 -0.134 0.000 1.114 33 L CA 1.441 55.913 54.840 -0.613 0.000 0.777 33 L CB -0.798 40.683 42.059 -0.963 0.000 0.910 33 L HN 0.028 nan 8.230 nan 0.000 0.440 34 E N -0.261 119.909 120.200 -0.051 0.000 2.510 34 E HA -0.149 4.202 4.350 0.000 0.000 0.202 34 E C 0.414 177.078 176.600 0.106 0.000 1.072 34 E CA 0.345 56.779 56.400 0.058 0.000 0.883 34 E CB -0.087 29.708 29.700 0.159 0.000 0.818 34 E HN 0.425 nan 8.360 nan 0.000 0.548 35 D N 0.899 121.364 120.400 0.108 0.000 2.649 35 D HA 0.015 4.655 4.640 0.000 0.000 0.249 35 D C -0.887 175.517 176.300 0.173 0.000 1.112 35 D CA -0.487 53.593 54.000 0.134 0.000 0.850 35 D CB 1.331 42.209 40.800 0.129 0.000 1.399 35 D HN -0.088 nan 8.370 nan 0.000 0.503 36 D N 3.484 124.002 120.400 0.197 0.000 3.163 36 D HA 0.179 4.819 4.640 0.000 0.000 0.284 36 D C 0.498 176.923 176.300 0.207 0.000 1.368 36 D CA -0.444 53.737 54.000 0.301 0.000 0.895 36 D CB 0.594 41.675 40.800 0.469 0.000 1.061 36 D HN 0.220 nan 8.370 nan 0.000 0.496 37 R N -0.280 120.306 120.500 0.142 0.000 2.851 37 R HA 0.042 4.382 4.340 0.000 0.000 0.177 37 R C 0.576 176.939 176.300 0.106 0.000 0.888 37 R CA 0.103 56.254 56.100 0.085 0.000 1.326 37 R CB -0.488 29.828 30.300 0.026 0.000 1.668 37 R HN 0.221 nan 8.270 nan 0.000 0.575 38 S N 3.226 118.997 115.700 0.120 0.000 2.596 38 S HA 0.079 4.549 4.470 0.000 0.000 0.298 38 S C -1.869 172.814 174.600 0.138 0.000 1.255 38 S CA -0.654 57.620 58.200 0.123 0.000 1.083 38 S CB 0.950 64.240 63.200 0.150 0.000 0.837 38 S HN -0.090 nan 8.310 nan 0.000 0.499 39 P HA -0.186 nan 4.420 nan 0.000 0.219 39 P C 1.215 178.593 177.300 0.131 0.000 1.144 39 P CA 1.337 64.499 63.100 0.105 0.000 0.806 39 P CB 0.122 31.865 31.700 0.072 0.000 0.771 40 E N -1.658 118.633 120.200 0.152 0.000 2.299 40 E HA -0.073 4.277 4.350 0.000 0.000 0.193 40 E C 1.197 178.030 176.600 0.387 0.000 0.998 40 E CA 0.952 57.468 56.400 0.193 0.000 0.851 40 E CB 0.015 29.759 29.700 0.073 0.000 0.795 40 E HN 0.152 nan 8.360 nan 0.000 0.492 41 T N 0.414 115.165 114.554 0.328 0.000 2.866 41 T HA -0.005 4.345 4.350 0.000 0.000 0.250 41 T C 1.411 176.237 174.700 0.209 0.000 1.033 41 T CA 0.553 62.798 62.100 0.241 0.000 1.145 41 T CB -0.054 68.894 68.868 0.132 0.000 0.866 41 T HN 0.159 nan 8.240 nan 0.000 0.434 42 E N 1.132 121.442 120.200 0.183 0.000 2.265 42 E HA -0.053 4.298 4.350 0.000 0.000 0.196 42 E C 2.168 178.842 176.600 0.125 0.000 0.996 42 E CA 0.762 57.254 56.400 0.154 0.000 0.832 42 E CB -0.064 29.735 29.700 0.165 0.000 0.756 42 E HN 0.424 nan 8.360 nan 0.000 0.491 43 A N 0.186 123.100 122.820 0.158 0.000 2.021 43 A HA -0.098 4.222 4.320 0.000 0.000 0.216 43 A C 1.709 179.383 177.584 0.150 0.000 1.163 43 A CA 0.268 52.382 52.037 0.129 0.000 0.676 43 A CB -0.579 18.500 19.000 0.131 0.000 0.818 43 A HN 0.422 nan 8.150 nan 0.000 0.453 44 W N 0.874 122.176 121.300 0.004 0.000 2.354 44 W HA -0.184 4.476 4.660 0.000 0.000 0.315 44 W C 1.936 178.375 176.519 -0.134 0.000 1.206 44 W CA 2.293 59.616 57.345 -0.038 0.000 1.290 44 W CB -0.515 28.902 29.460 -0.071 0.000 1.152 44 W HN 0.088 nan 8.180 nan 0.000 0.489 45 V N 1.545 121.403 119.914 -0.092 0.000 2.231 45 V HA -0.422 3.699 4.120 0.000 0.000 0.250 45 V C 2.522 178.466 176.094 -0.250 0.000 1.058 45 V CA 2.640 64.764 62.300 -0.293 0.000 1.022 45 V CB -1.274 30.468 31.823 -0.134 0.000 0.640 45 V HN 0.246 nan 8.190 nan 0.000 0.445 46 K N -0.096 120.232 120.400 -0.119 0.000 2.074 46 K HA -0.246 4.074 4.320 0.000 0.000 0.209 46 K C 2.143 178.668 176.600 -0.125 0.000 1.048 46 K CA 1.793 58.026 56.287 -0.090 0.000 0.926 46 K CB -0.333 32.148 32.500 -0.031 0.000 0.713 46 K HN 0.468 nan 8.250 nan 0.000 0.444 47 A N 0.782 123.510 122.820 -0.153 0.000 1.898 47 A HA -0.150 4.170 4.320 0.000 0.000 0.216 47 A C 2.054 179.491 177.584 -0.246 0.000 1.181 47 A CA 1.118 53.061 52.037 -0.157 0.000 0.620 47 A CB -0.355 18.575 19.000 -0.116 0.000 0.819 47 A HN 0.344 nan 8.150 nan 0.000 0.442 48 Q N -0.001 119.524 119.800 -0.458 0.000 2.079 48 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 48 Q C 1.767 177.592 176.000 -0.291 0.000 0.974 48 Q CA 1.602 57.105 55.803 -0.500 0.000 0.840 48 Q CB -0.584 27.593 28.738 -0.934 0.000 0.898 48 Q HN 0.811 nan 8.270 nan 0.000 0.430 49 N N 0.327 118.878 118.700 -0.247 0.000 2.223 49 N HA -0.118 4.622 4.740 0.000 0.000 0.185 49 N C 1.722 177.174 175.510 -0.098 0.000 1.016 49 N CA 0.750 53.709 53.050 -0.151 0.000 0.863 49 N CB 0.019 38.432 38.487 -0.123 0.000 0.983 49 N HN 0.195 nan 8.380 nan 0.000 0.429 50 A N 0.634 123.398 122.820 -0.093 0.000 1.933 50 A HA -0.087 4.233 4.320 0.000 0.000 0.218 50 A C 2.311 179.880 177.584 -0.026 0.000 1.175 50 A CA 1.108 53.115 52.037 -0.051 0.000 0.628 50 A CB -0.521 18.452 19.000 -0.045 0.000 0.814 50 A HN 0.104 nan 8.150 nan 0.000 0.444 51 V N -0.669 119.224 119.914 -0.035 0.000 2.453 51 V HA -0.168 3.952 4.120 0.000 0.000 0.247 51 V C 2.655 178.778 176.094 0.048 0.000 1.048 51 V CA 2.295 64.605 62.300 0.016 0.000 1.049 51 V CB -1.261 30.573 31.823 0.018 0.000 0.672 51 V HN 0.563 nan 8.190 nan 0.000 0.457 52 T N -0.681 113.869 114.554 -0.006 0.000 2.668 52 T HA -0.184 4.166 4.350 0.000 0.000 0.262 52 T C 2.021 176.752 174.700 0.051 0.000 1.045 52 T CA 1.280 63.385 62.100 0.009 0.000 1.152 52 T CB -0.283 68.539 68.868 -0.076 0.000 0.864 52 T HN 0.337 nan 8.240 nan 0.000 0.419 53 Q N 0.925 120.727 119.800 0.004 0.000 2.181 53 Q HA -0.140 4.200 4.340 0.000 0.000 0.205 53 Q C 2.056 178.065 176.000 0.015 0.000 0.980 53 Q CA 1.516 57.320 55.803 0.000 0.000 0.862 53 Q CB -0.677 28.049 28.738 -0.021 0.000 0.905 53 Q HN 0.606 nan 8.270 nan 0.000 0.429 54 D N -0.785 119.636 120.400 0.034 0.000 2.144 54 D HA -0.182 4.458 4.640 0.000 0.000 0.200 54 D C 1.721 178.055 176.300 0.058 0.000 0.978 54 D CA 0.717 54.739 54.000 0.037 0.000 0.833 54 D CB -0.088 40.741 40.800 0.049 0.000 0.961 54 D HN 0.249 nan 8.370 nan 0.000 0.470 55 Y N 0.425 120.724 120.300 -0.001 0.000 2.263 55 Y HA 0.041 4.591 4.550 0.000 0.000 0.292 55 Y C 1.813 177.703 175.900 -0.017 0.000 1.130 55 Y CA 1.196 59.312 58.100 0.026 0.000 1.179 55 Y CB -0.056 38.459 38.460 0.092 0.000 0.998 55 Y HN 0.015 nan 8.280 nan 0.000 0.532 56 L N -0.658 120.590 121.223 0.041 0.000 2.156 56 L HA -0.095 4.245 4.340 0.000 0.000 0.208 56 L C 2.599 179.371 176.870 -0.163 0.000 1.095 56 L CA 0.870 55.679 54.840 -0.051 0.000 0.770 56 L CB -0.800 41.279 42.059 0.033 0.000 0.914 56 L HN 0.241 nan 8.230 nan 0.000 0.439 57 A N -0.512 122.235 122.820 -0.123 0.000 2.178 57 A HA -0.239 4.082 4.320 0.000 0.000 0.218 57 A C 2.249 179.715 177.584 -0.196 0.000 1.157 57 A CA 1.365 53.327 52.037 -0.126 0.000 0.689 57 A CB -0.446 18.508 19.000 -0.077 0.000 0.787 57 A HN 0.519 nan 8.150 nan 0.000 0.465 58 Q N -0.405 119.214 119.800 -0.303 0.000 2.245 58 Q HA 0.071 4.411 4.340 0.000 0.000 0.201 58 Q C 0.021 175.690 176.000 -0.552 0.000 0.955 58 Q CA 0.201 55.770 55.803 -0.391 0.000 0.870 58 Q CB -0.093 28.345 28.738 -0.500 0.000 0.945 58 Q HN 0.675 nan 8.270 nan 0.000 0.461 59 I N 2.719 122.888 120.570 -0.668 0.000 2.452 59 I HA 0.023 4.193 4.170 0.000 0.000 0.287 59 I C -1.729 174.072 176.117 -0.527 0.000 1.079 59 I CA -1.503 59.331 61.300 -0.778 0.000 1.387 59 I CB 0.913 38.509 38.000 -0.673 0.000 1.404 59 I HN 0.084 nan 8.210 nan 0.000 0.522 60 P HA -0.177 nan 4.420 nan 0.000 0.215 60 P C 0.641 177.820 177.300 -0.202 0.000 1.153 60 P CA 1.558 64.478 63.100 -0.301 0.000 0.853 60 P CB -0.023 31.572 31.700 -0.175 0.000 0.788 61 Y N -2.383 117.942 120.300 0.041 0.000 2.524 61 Y HA 0.463 5.013 4.550 0.000 0.000 0.266 61 Y C 2.066 178.004 175.900 0.063 0.000 1.180 61 Y CA -1.015 57.117 58.100 0.054 0.000 1.244 61 Y CB -1.132 37.370 38.460 0.069 0.000 1.125 61 Y HN -0.233 nan 8.280 nan 0.000 0.524 62 R N 1.375 121.909 120.500 0.057 0.000 2.073 62 R HA -0.140 4.200 4.340 0.000 0.000 0.234 62 R C 2.282 178.649 176.300 0.111 0.000 1.134 62 R CA 1.557 57.724 56.100 0.111 0.000 0.952 62 R CB -0.385 29.923 30.300 0.012 0.000 0.850 62 R HN 0.456 nan 8.270 nan 0.000 0.433 63 A N 0.717 123.577 122.820 0.066 0.000 1.902 63 A HA -0.114 4.206 4.320 0.000 0.000 0.217 63 A C 2.375 180.012 177.584 0.089 0.000 1.181 63 A CA 1.723 53.797 52.037 0.061 0.000 0.623 63 A CB -0.855 18.166 19.000 0.034 0.000 0.818 63 A HN 0.555 nan 8.150 nan 0.000 0.443 64 A N -0.115 122.773 122.820 0.113 0.000 1.933 64 A HA -0.092 4.228 4.320 0.000 0.000 0.218 64 A C 2.117 179.782 177.584 0.135 0.000 1.175 64 A CA 1.545 53.652 52.037 0.117 0.000 0.628 64 A CB -0.592 18.486 19.000 0.130 0.000 0.814 64 A HN 0.517 nan 8.150 nan 0.000 0.444 65 I N -0.857 119.819 120.570 0.177 0.000 2.252 65 I HA -0.243 3.927 4.170 0.000 0.000 0.245 65 I C 2.536 178.768 176.117 0.193 0.000 1.102 65 I CA 1.802 63.226 61.300 0.206 0.000 1.385 65 I CB -0.275 37.894 38.000 0.282 0.000 1.064 65 I HN 0.369 nan 8.210 nan 0.000 0.414 66 K N 1.289 121.780 120.400 0.151 0.000 2.026 66 K HA -0.219 4.102 4.320 0.000 0.000 0.208 66 K C 1.994 178.660 176.600 0.110 0.000 1.048 66 K CA 1.599 57.954 56.287 0.113 0.000 0.929 66 K CB -0.022 32.517 32.500 0.065 0.000 0.713 66 K HN 0.255 nan 8.250 nan 0.000 0.439 67 E N 0.326 120.585 120.200 0.097 0.000 2.070 67 E HA -0.228 4.123 4.350 0.000 0.000 0.197 67 E C 2.085 178.752 176.600 0.112 0.000 1.004 67 E CA 1.310 57.762 56.400 0.088 0.000 0.805 67 E CB 0.029 29.772 29.700 0.072 0.000 0.744 67 E HN 0.221 nan 8.360 nan 0.000 0.451 68 K N 0.487 120.965 120.400 0.130 0.000 2.097 68 K HA -0.123 4.197 4.320 0.000 0.000 0.206 68 K C 2.267 178.994 176.600 0.212 0.000 1.049 68 K CA 0.730 57.104 56.287 0.146 0.000 0.933 68 K CB -0.118 32.470 32.500 0.146 0.000 0.717 68 K HN 0.127 nan 8.250 nan 0.000 0.442 69 L N 0.186 121.562 121.223 0.255 0.000 2.017 69 L HA -0.187 4.153 4.340 0.000 0.000 0.208 69 L C 2.528 179.630 176.870 0.387 0.000 1.073 69 L CA 1.314 56.377 54.840 0.371 0.000 0.745 69 L CB -0.475 41.806 42.059 0.370 0.000 0.894 69 L HN 0.166 nan 8.230 nan 0.000 0.432 70 A N -0.232 122.725 122.820 0.230 0.000 1.933 70 A HA -0.124 4.196 4.320 0.000 0.000 0.218 70 A C 2.412 180.117 177.584 0.202 0.000 1.175 70 A CA 1.617 53.759 52.037 0.175 0.000 0.628 70 A CB -0.630 18.414 19.000 0.075 0.000 0.814 70 A HN 0.406 nan 8.150 nan 0.000 0.444 71 A N -0.233 122.689 122.820 0.169 0.000 2.119 71 A HA 0.110 4.430 4.320 0.000 0.000 0.216 71 A C 2.112 179.785 177.584 0.148 0.000 1.152 71 A CA 1.760 53.875 52.037 0.131 0.000 0.708 71 A CB -0.417 18.631 19.000 0.081 0.000 0.805 71 A HN 0.967 nan 8.150 nan 0.000 0.460 72 S N -3.173 112.657 115.700 0.216 0.000 2.603 72 S HA 0.001 4.471 4.470 0.000 0.000 0.232 72 S C 1.440 176.254 174.600 0.356 0.000 1.016 72 S CA -0.119 58.206 58.200 0.209 0.000 0.976 72 S CB -0.526 62.764 63.200 0.150 0.000 0.921 72 S HN 0.645 nan 8.310 nan 0.000 0.516 73 W N 3.060 124.486 121.300 0.211 0.000 2.363 73 W HA 0.138 4.798 4.660 0.000 0.000 0.296 73 W C -0.417 176.234 176.519 0.221 0.000 1.212 73 W CA 0.869 58.338 57.345 0.207 0.000 1.260 73 W CB -0.332 29.200 29.460 0.121 0.000 1.131 73 W HN 0.358 nan 8.180 nan 0.000 0.530 74 N N -0.850 118.070 118.700 0.367 0.000 2.284 74 N HA 0.300 5.040 4.740 0.000 0.000 0.300 74 N C -1.573 174.076 175.510 0.231 0.000 1.047 74 N CA -0.563 52.605 53.050 0.196 0.000 0.821 74 N CB 1.913 40.516 38.487 0.193 0.000 1.337 74 N HN -0.146 nan 8.380 nan 0.000 0.482 75 Y N -0.746 119.593 120.300 0.066 0.000 2.581 75 Y HA 0.737 5.287 4.550 0.000 0.000 0.337 75 Y C -0.658 175.259 175.900 0.028 0.000 1.108 75 Y CA -1.621 56.503 58.100 0.040 0.000 1.033 75 Y CB 0.415 38.892 38.460 0.029 0.000 1.318 75 Y HN 0.480 nan 8.280 nan 0.000 0.459 76 A N 2.644 125.547 122.820 0.138 0.000 2.492 76 A HA 0.550 4.870 4.320 0.000 0.000 0.236 76 A C -0.457 177.169 177.584 0.069 0.000 1.078 76 A CA -0.252 51.821 52.037 0.061 0.000 0.773 76 A CB 0.100 19.129 19.000 0.049 0.000 1.023 76 A HN 0.748 nan 8.150 nan 0.000 0.504 77 K N 0.261 120.674 120.400 0.022 0.000 2.508 77 K HA 0.622 4.942 4.320 0.000 0.000 0.260 77 K C -1.136 175.487 176.600 0.038 0.000 0.949 77 K CA -0.650 55.655 56.287 0.031 0.000 0.834 77 K CB 2.581 35.077 32.500 -0.008 0.000 1.365 77 K HN 0.775 nan 8.250 nan 0.000 0.437 78 E N 0.424 120.649 120.200 0.043 0.000 2.331 78 E HA 0.436 4.786 4.350 0.000 0.000 0.275 78 E C -1.006 175.665 176.600 0.118 0.000 0.895 78 E CA -0.747 55.697 56.400 0.073 0.000 0.753 78 E CB 2.038 31.726 29.700 -0.020 0.000 1.216 78 E HN 0.755 nan 8.360 nan 0.000 0.434 79 G N 1.127 110.063 108.800 0.227 0.000 2.511 79 G HA2 0.609 4.569 3.960 0.000 0.000 0.316 79 G HA3 0.609 4.569 3.960 0.000 0.000 0.316 79 G C -0.580 174.433 174.900 0.187 0.000 1.210 79 G CA -0.214 45.030 45.100 0.239 0.000 0.969 79 G HN 0.560 nan 8.290 nan 0.000 0.492 80 A N 0.879 123.764 122.820 0.108 0.000 2.407 80 A HA 0.618 4.938 4.320 0.000 0.000 0.248 80 A C -1.748 175.831 177.584 -0.008 0.000 1.082 80 A CA -0.914 51.024 52.037 -0.164 0.000 0.785 80 A CB 0.176 19.064 19.000 -0.188 0.000 1.020 80 A HN 0.525 nan 8.150 nan 0.000 0.489 81 P HA 0.523 nan 4.420 nan 0.000 0.277 81 P C -1.188 176.247 177.300 0.225 0.000 1.240 81 P CA 0.044 63.153 63.100 0.015 0.000 0.798 81 P CB 0.726 32.344 31.700 -0.137 0.000 0.979 82 F N -1.328 118.708 119.950 0.142 0.000 2.588 82 F HA 0.583 5.110 4.527 0.000 0.000 0.314 82 F C -0.373 175.403 175.800 -0.040 0.000 1.134 82 F CA -1.553 56.489 58.000 0.070 0.000 0.961 82 F CB 1.353 40.387 39.000 0.056 0.000 1.239 82 F HN 0.150 nan 8.300 nan 0.000 0.448 83 R N 2.275 122.724 120.500 -0.085 0.000 2.390 83 R HA 0.453 4.793 4.340 0.000 0.000 0.291 83 R C -1.080 175.102 176.300 -0.195 0.000 1.070 83 R CA -0.098 55.785 56.100 -0.363 0.000 1.014 83 R CB 0.716 30.744 30.300 -0.453 0.000 1.007 83 R HN 0.747 nan 8.270 nan 0.000 0.466 84 E N 3.152 123.210 120.200 -0.236 0.000 2.302 84 E HA 0.241 4.592 4.350 0.000 0.000 0.263 84 E C 0.189 176.703 176.600 -0.143 0.000 0.897 84 E CA 0.109 56.299 56.400 -0.349 0.000 0.809 84 E CB 1.704 30.742 29.700 -1.102 0.000 1.270 84 E HN 0.941 nan 8.360 nan 0.000 0.410 85 G N 4.142 112.882 108.800 -0.101 0.000 2.556 85 G HA2 -0.402 3.558 3.960 0.000 0.000 0.283 85 G HA3 -0.402 3.558 3.960 0.000 0.000 0.283 85 G C 0.500 175.368 174.900 -0.052 0.000 1.177 85 G CA 0.567 45.649 45.100 -0.030 0.000 0.978 85 G HN 0.599 nan 8.290 nan 0.000 0.554 86 R N -0.216 120.246 120.500 -0.064 0.000 2.391 86 R HA 0.529 4.869 4.340 0.000 0.000 0.249 86 R C -0.043 176.047 176.300 -0.350 0.000 0.957 86 R CA 0.028 55.996 56.100 -0.220 0.000 1.093 86 R CB -0.038 30.074 30.300 -0.314 0.000 1.156 86 R HN 0.489 nan 8.270 nan 0.000 0.526 87 Y N -0.894 119.317 120.300 -0.148 0.000 2.605 87 Y HA 0.400 4.950 4.550 0.000 0.000 0.343 87 Y C -0.421 175.282 175.900 -0.328 0.000 1.036 87 Y CA -1.448 56.505 58.100 -0.245 0.000 1.065 87 Y CB 1.535 39.683 38.460 -0.521 0.000 1.288 87 Y HN -0.022 nan 8.280 nan 0.000 0.481 88 H N 0.232 119.226 119.070 -0.127 0.000 2.481 88 H HA 0.413 4.969 4.556 0.000 0.000 0.333 88 H C -1.496 173.637 175.328 -0.325 0.000 1.066 88 H CA -0.694 55.280 56.048 -0.123 0.000 1.209 88 H CB 0.686 30.447 29.762 -0.003 0.000 1.445 88 H HN 0.472 nan 8.280 nan 0.000 0.488 89 Y N 3.362 123.364 120.300 -0.496 0.000 2.457 89 Y HA 0.466 5.016 4.550 0.000 0.000 0.333 89 Y C -0.525 175.005 175.900 -0.616 0.000 1.119 89 Y CA -0.874 56.737 58.100 -0.815 0.000 1.143 89 Y CB 1.242 38.885 38.460 -1.363 0.000 1.230 89 Y HN 0.548 nan 8.280 nan 0.000 0.469 90 F N -0.733 119.041 119.950 -0.292 0.000 2.688 90 F HA 0.568 5.095 4.527 0.000 0.000 0.308 90 F C -2.050 173.765 175.800 0.024 0.000 1.117 90 F CA -1.795 56.175 58.000 -0.051 0.000 0.976 90 F CB 0.642 39.633 39.000 -0.015 0.000 1.291 90 F HN 0.143 nan 8.300 nan 0.000 0.439 91 F N 2.311 122.472 119.950 0.351 0.000 2.384 91 F HA 0.700 5.228 4.527 0.000 0.000 0.338 91 F C 0.165 176.100 175.800 0.224 0.000 1.103 91 F CA -0.272 57.889 58.000 0.268 0.000 1.157 91 F CB 1.683 40.828 39.000 0.242 0.000 1.167 91 F HN 0.423 nan 8.300 nan 0.000 0.529 92 K N 1.724 122.373 120.400 0.415 0.000 2.512 92 K HA 0.413 4.734 4.320 0.000 0.000 0.263 92 K C -1.422 175.317 176.600 0.233 0.000 0.966 92 K CA -1.239 55.174 56.287 0.210 0.000 0.851 92 K CB 2.445 34.905 32.500 -0.066 0.000 1.395 92 K HN 0.429 nan 8.250 nan 0.000 0.440 93 N N 1.706 120.486 118.700 0.133 0.000 2.478 93 N HA 0.029 4.769 4.740 0.000 0.000 0.291 93 N C -0.838 174.712 175.510 0.068 0.000 1.090 93 N CA -0.302 52.814 53.050 0.110 0.000 0.911 93 N CB 1.565 40.088 38.487 0.061 0.000 1.546 93 N HN 0.704 nan 8.380 nan 0.000 0.500 94 D N 2.489 122.941 120.400 0.086 0.000 2.392 94 D HA 0.102 4.742 4.640 0.000 0.000 0.228 94 D C 1.227 177.554 176.300 0.045 0.000 1.003 94 D CA 1.284 55.324 54.000 0.066 0.000 0.917 94 D CB -0.061 40.791 40.800 0.087 0.000 0.890 94 D HN 0.856 nan 8.370 nan 0.000 0.532 95 G N 0.227 109.040 108.800 0.022 0.000 2.284 95 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 95 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 95 G C 0.807 175.720 174.900 0.022 0.000 1.009 95 G CA 0.240 45.336 45.100 -0.008 0.000 0.625 95 G HN 0.472 nan 8.290 nan 0.000 0.501 96 L N -0.879 120.370 121.223 0.043 0.000 2.731 96 L HA 0.612 4.952 4.340 0.000 0.000 0.240 96 L C 0.792 177.689 176.870 0.045 0.000 1.120 96 L CA 0.005 54.874 54.840 0.049 0.000 0.913 96 L CB -0.142 41.948 42.059 0.052 0.000 1.213 96 L HN 0.231 nan 8.230 nan 0.000 0.515 97 Q N 1.540 121.369 119.800 0.049 0.000 2.332 97 Q HA 0.086 4.426 4.340 0.000 0.000 0.263 97 Q C 0.819 176.842 176.000 0.040 0.000 0.979 97 Q CA 0.161 55.994 55.803 0.050 0.000 0.885 97 Q CB 1.072 29.853 28.738 0.071 0.000 1.218 97 Q HN 0.389 nan 8.270 nan 0.000 0.405 98 N N 2.057 120.777 118.700 0.034 0.000 2.142 98 N HA -0.146 4.594 4.740 0.000 0.000 0.186 98 N C -0.324 175.200 175.510 0.024 0.000 1.023 98 N CA 0.858 53.924 53.050 0.027 0.000 0.852 98 N CB 0.487 38.988 38.487 0.024 0.000 0.998 98 N HN 0.550 nan 8.380 nan 0.000 0.424 99 Q N 0.808 120.628 119.800 0.032 0.000 2.306 99 Q HA 0.292 4.632 4.340 0.000 0.000 0.265 99 Q C -1.146 174.894 176.000 0.067 0.000 1.022 99 Q CA -0.920 54.903 55.803 0.033 0.000 0.853 99 Q CB 1.605 30.363 28.738 0.032 0.000 1.327 99 Q HN 0.211 nan 8.270 nan 0.000 0.449 100 N N 0.673 119.411 118.700 0.063 0.000 2.492 100 N HA 0.114 4.854 4.740 0.000 0.000 0.260 100 N C -0.750 174.944 175.510 0.307 0.000 1.215 100 N CA 0.118 53.264 53.050 0.161 0.000 0.923 100 N CB 0.835 39.356 38.487 0.058 0.000 1.092 100 N HN 0.216 nan 8.380 nan 0.000 0.448 101 V N 2.289 122.430 119.914 0.379 0.000 2.472 101 V HA 0.244 4.364 4.120 0.000 0.000 0.290 101 V C 0.183 176.523 176.094 0.410 0.000 1.037 101 V CA -0.907 61.587 62.300 0.323 0.000 0.908 101 V CB 1.576 33.556 31.823 0.263 0.000 0.985 101 V HN 0.416 nan 8.190 nan 0.000 0.454 102 L N 5.254 126.562 121.223 0.143 0.000 2.260 102 L HA 0.538 4.878 4.340 0.000 0.000 0.289 102 L C -0.928 175.889 176.870 -0.089 0.000 1.057 102 L CA 0.104 54.860 54.840 -0.141 0.000 0.811 102 L CB 0.473 42.400 42.059 -0.221 0.000 1.184 102 L HN 0.625 nan 8.230 nan 0.000 0.429 103 W N 5.328 126.334 121.300 -0.490 0.000 2.576 103 W HA 0.723 5.383 4.660 0.000 0.000 0.360 103 W C -0.029 175.947 176.519 -0.905 0.000 1.109 103 W CA -0.542 56.414 57.345 -0.648 0.000 1.237 103 W CB 1.034 29.961 29.460 -0.888 0.000 1.369 103 W HN 0.420 nan 8.180 nan 0.000 0.609 104 R N 1.398 121.602 120.500 -0.495 0.000 2.740 104 R HA 0.486 4.826 4.340 0.000 0.000 0.273 104 R C -1.595 174.574 176.300 -0.218 0.000 0.998 104 R CA -0.701 54.985 56.100 -0.690 0.000 0.900 104 R CB 2.147 31.846 30.300 -1.003 0.000 1.223 104 R HN 0.634 nan 8.270 nan 0.000 0.466 105 Q N 2.507 122.279 119.800 -0.046 0.000 2.281 105 Q HA 0.173 4.513 4.340 0.000 0.000 0.263 105 Q C -1.894 174.220 176.000 0.189 0.000 0.989 105 Q CA -0.598 55.304 55.803 0.166 0.000 0.852 105 Q CB 2.289 31.190 28.738 0.271 0.000 1.337 105 Q HN 0.657 nan 8.270 nan 0.000 0.418 106 Q N 2.721 122.619 119.800 0.164 0.000 2.256 106 Q HA 0.214 4.555 4.340 0.000 0.000 0.254 106 Q C -0.882 175.118 176.000 0.001 0.000 0.916 106 Q CA -0.322 55.479 55.803 -0.003 0.000 0.932 106 Q CB 1.141 29.785 28.738 -0.156 0.000 1.207 106 Q HN 0.609 nan 8.270 nan 0.000 0.426 107 E N 1.704 121.897 120.200 -0.011 0.000 2.493 107 E HA 0.065 4.415 4.350 0.000 0.000 0.255 107 E C 0.520 177.102 176.600 -0.031 0.000 0.999 107 E CA 1.070 57.453 56.400 -0.028 0.000 0.934 107 E CB 0.260 29.944 29.700 -0.027 0.000 0.940 107 E HN 0.984 nan 8.360 nan 0.000 0.473 108 G N 3.168 111.953 108.800 -0.024 0.000 2.195 108 G HA2 -0.239 3.721 3.960 0.000 0.000 0.224 108 G HA3 -0.239 3.721 3.960 0.000 0.000 0.224 108 G C 0.076 174.972 174.900 -0.007 0.000 0.990 108 G CA -0.102 44.987 45.100 -0.019 0.000 0.639 108 G HN 0.432 nan 8.290 nan 0.000 0.514 109 K N 0.514 120.917 120.400 0.005 0.000 2.480 109 K HA 0.587 4.907 4.320 0.000 0.000 0.258 109 K C -2.704 173.922 176.600 0.045 0.000 0.990 109 K CA -1.893 54.409 56.287 0.024 0.000 0.857 109 K CB 2.921 35.440 32.500 0.031 0.000 1.384 109 K HN 0.021 nan 8.250 nan 0.000 0.446 110 P HA 0.111 nan 4.420 nan 0.000 0.274 110 P C -0.929 176.450 177.300 0.131 0.000 1.237 110 P CA -0.328 62.821 63.100 0.082 0.000 0.793 110 P CB 0.813 32.558 31.700 0.075 0.000 0.977 111 A N 2.133 125.069 122.820 0.193 0.000 2.366 111 A HA 0.395 4.715 4.320 0.000 0.000 0.249 111 A C 0.411 178.193 177.584 0.331 0.000 1.084 111 A CA -0.081 52.141 52.037 0.308 0.000 0.794 111 A CB -0.128 19.152 19.000 0.468 0.000 1.034 111 A HN 0.700 nan 8.150 nan 0.000 0.491 112 E N -0.283 120.068 120.200 0.253 0.000 2.390 112 E HA 0.524 4.874 4.350 0.000 0.000 0.277 112 E C -1.546 174.809 176.600 -0.408 0.000 0.939 112 E CA -1.041 55.337 56.400 -0.036 0.000 0.769 112 E CB 1.254 30.913 29.700 -0.068 0.000 1.251 112 E HN 0.287 nan 8.360 nan 0.000 0.450 113 V N 2.471 121.850 119.914 -0.893 0.000 2.655 113 V HA -0.008 4.112 4.120 0.000 0.000 0.300 113 V C 0.004 175.821 176.094 -0.462 0.000 1.044 113 V CA 0.438 62.095 62.300 -1.071 0.000 1.095 113 V CB 0.362 31.633 31.823 -0.920 0.000 0.952 113 V HN 0.778 nan 8.190 nan 0.000 0.485 114 F N 5.634 125.283 119.950 -0.500 0.000 2.557 114 F HA 0.511 5.038 4.527 0.000 0.000 0.278 114 F C 0.067 175.710 175.800 -0.263 0.000 1.051 114 F CA 0.166 57.974 58.000 -0.321 0.000 1.357 114 F CB 0.654 39.515 39.000 -0.231 0.000 1.104 114 F HN 0.349 nan 8.300 nan 0.000 0.654 115 L N 1.623 122.593 121.223 -0.422 0.000 2.596 115 L HA 0.383 4.723 4.340 0.000 0.000 0.265 115 L C -1.921 174.798 176.870 -0.253 0.000 0.962 115 L CA -0.382 54.172 54.840 -0.476 0.000 0.891 115 L CB 1.185 42.909 42.059 -0.557 0.000 1.248 115 L HN 0.012 nan 8.230 nan 0.000 0.410 116 D N 6.346 126.607 120.400 -0.232 0.000 2.460 116 D HA 0.470 5.110 4.640 0.000 0.000 0.232 116 D C -2.057 174.184 176.300 -0.099 0.000 1.079 116 D CA -2.056 51.867 54.000 -0.130 0.000 0.864 116 D CB 2.291 43.009 40.800 -0.137 0.000 1.048 116 D HN 0.307 nan 8.370 nan 0.000 0.523 117 P HA -0.054 nan 4.420 nan 0.000 0.220 117 P C 1.088 178.375 177.300 -0.023 0.000 1.148 117 P CA 0.554 63.632 63.100 -0.036 0.000 0.803 117 P CB 0.369 32.073 31.700 0.008 0.000 0.782 118 N N -0.639 118.054 118.700 -0.011 0.000 2.149 118 N HA -0.125 4.616 4.740 0.000 0.000 0.188 118 N C 1.659 177.158 175.510 -0.018 0.000 1.019 118 N CA 2.185 55.231 53.050 -0.005 0.000 0.857 118 N CB -0.938 37.552 38.487 0.006 0.000 0.997 118 N HN 0.324 nan 8.380 nan 0.000 0.426 119 T N -0.833 113.699 114.554 -0.037 0.000 3.023 119 T HA 0.112 4.462 4.350 0.000 0.000 0.266 119 T C 2.141 176.815 174.700 -0.042 0.000 1.093 119 T CA 0.147 62.222 62.100 -0.042 0.000 1.129 119 T CB -0.360 68.471 68.868 -0.062 0.000 0.899 119 T HN 0.076 nan 8.240 nan 0.000 0.491 120 L N 1.214 122.408 121.223 -0.048 0.000 2.127 120 L HA 0.033 4.373 4.340 0.000 0.000 0.211 120 L C 1.715 178.569 176.870 -0.026 0.000 1.089 120 L CA 0.866 55.679 54.840 -0.045 0.000 0.757 120 L CB -0.505 41.523 42.059 -0.052 0.000 0.899 120 L HN 0.307 nan 8.230 nan 0.000 0.434 121 S N -1.041 114.649 115.700 -0.017 0.000 2.474 121 S HA 0.347 4.818 4.470 0.000 0.000 0.321 121 S C -1.818 172.779 174.600 -0.006 0.000 1.080 121 S CA -1.529 56.667 58.200 -0.006 0.000 1.106 121 S CB 1.489 64.689 63.200 0.002 0.000 0.984 121 S HN -0.164 nan 8.310 nan 0.000 0.464 122 P HA -0.069 nan 4.420 nan 0.000 0.223 122 P C 0.104 177.404 177.300 -0.000 0.000 1.144 122 P CA 1.130 64.227 63.100 -0.004 0.000 0.783 122 P CB 0.027 31.725 31.700 -0.004 0.000 0.771 123 D N -4.281 116.121 120.400 0.003 0.000 2.500 123 D HA 0.234 4.874 4.640 0.000 0.000 0.217 123 D C 1.109 177.414 176.300 0.009 0.000 1.159 123 D CA 0.132 54.136 54.000 0.006 0.000 0.828 123 D CB -0.598 40.207 40.800 0.008 0.000 1.039 123 D HN 0.018 nan 8.370 nan 0.000 0.512 124 G N 0.633 109.437 108.800 0.007 0.000 2.160 124 G HA2 -0.322 3.639 3.960 0.000 0.000 0.244 124 G HA3 -0.322 3.639 3.960 0.000 0.000 0.244 124 G C 0.994 175.903 174.900 0.014 0.000 1.022 124 G CA 0.844 45.949 45.100 0.009 0.000 0.741 124 G HN 0.602 nan 8.290 nan 0.000 0.508 125 T N -3.118 111.445 114.554 0.016 0.000 3.081 125 T HA 0.327 4.677 4.350 0.000 0.000 0.250 125 T C 0.960 175.675 174.700 0.025 0.000 1.100 125 T CA 1.004 63.117 62.100 0.022 0.000 1.038 125 T CB 0.504 69.386 68.868 0.023 0.000 0.962 125 T HN 0.364 nan 8.240 nan 0.000 0.516 126 T N 3.069 117.635 114.554 0.020 0.000 2.727 126 T HA 0.695 5.046 4.350 0.000 0.000 0.298 126 T C -0.090 174.623 174.700 0.022 0.000 0.942 126 T CA -0.536 61.577 62.100 0.022 0.000 0.997 126 T CB 0.841 69.715 68.868 0.009 0.000 0.917 126 T HN 0.511 nan 8.240 nan 0.000 0.487 127 A N 3.373 126.213 122.820 0.033 0.000 2.340 127 A HA 0.768 5.088 4.320 0.000 0.000 0.331 127 A C -0.376 177.239 177.584 0.052 0.000 1.140 127 A CA -0.861 51.197 52.037 0.035 0.000 0.801 127 A CB 0.808 19.828 19.000 0.032 0.000 1.234 127 A HN 0.754 nan 8.150 nan 0.000 0.469 128 L N 1.366 122.621 121.223 0.054 0.000 2.360 128 L HA 0.365 4.705 4.340 0.000 0.000 0.276 128 L C 0.232 177.150 176.870 0.080 0.000 1.121 128 L CA 0.540 55.432 54.840 0.087 0.000 0.845 128 L CB 0.505 42.616 42.059 0.086 0.000 1.143 128 L HN 0.872 nan 8.230 nan 0.000 0.452 129 D N 1.488 121.950 120.400 0.105 0.000 2.970 129 D HA 0.116 4.756 4.640 0.000 0.000 0.236 129 D C -0.320 176.039 176.300 0.098 0.000 1.415 129 D CA 0.287 54.338 54.000 0.085 0.000 1.279 129 D CB 0.506 41.357 40.800 0.084 0.000 0.932 129 D HN 0.554 nan 8.370 nan 0.000 0.216 130 Q N 0.270 120.134 119.800 0.106 0.000 2.299 130 Q HA 0.450 4.790 4.340 0.000 0.000 0.246 130 Q C -0.717 175.365 176.000 0.138 0.000 0.935 130 Q CA -0.426 55.441 55.803 0.107 0.000 0.887 130 Q CB 1.928 30.718 28.738 0.087 0.000 1.223 130 Q HN 0.329 nan 8.270 nan 0.000 0.439 131 L N 0.683 121.991 121.223 0.140 0.000 2.409 131 L HA 0.529 4.869 4.340 0.000 0.000 0.272 131 L C -1.128 175.817 176.870 0.124 0.000 0.980 131 L CA 0.026 54.952 54.840 0.142 0.000 0.826 131 L CB 2.210 44.396 42.059 0.213 0.000 1.268 131 L HN 0.545 nan 8.230 nan 0.000 0.407 132 S N 3.993 119.741 115.700 0.080 0.000 2.652 132 S HA 0.593 5.063 4.470 0.000 0.000 0.273 132 S C -1.126 173.612 174.600 0.229 0.000 1.172 132 S CA -0.434 57.900 58.200 0.222 0.000 1.009 132 S CB 0.320 63.693 63.200 0.288 0.000 1.094 132 S HN 0.373 nan 8.310 nan 0.000 0.471 133 F N 3.030 123.019 119.950 0.064 0.000 2.371 133 F HA 0.426 4.953 4.527 0.000 0.000 0.329 133 F C 1.452 176.784 175.800 -0.780 0.000 1.107 133 F CA -0.309 57.564 58.000 -0.212 0.000 1.137 133 F CB 1.178 40.057 39.000 -0.201 0.000 1.214 133 F HN 0.587 nan 8.300 nan 0.000 0.536 134 S N 1.532 116.585 115.700 -1.078 0.000 2.589 134 S HA 0.154 4.624 4.470 0.000 0.000 0.265 134 S C 1.229 175.514 174.600 -0.525 0.000 1.342 134 S CA -0.809 56.454 58.200 -1.563 0.000 1.005 134 S CB 1.026 63.423 63.200 -1.337 0.000 0.909 134 S HN 0.708 nan 8.310 nan 0.000 0.555 135 R N 1.484 121.814 120.500 -0.284 0.000 2.133 135 R HA -0.171 4.169 4.340 0.000 0.000 0.247 135 R C 1.305 177.557 176.300 -0.078 0.000 1.151 135 R CA 2.362 58.411 56.100 -0.085 0.000 0.971 135 R CB -1.050 29.257 30.300 0.012 0.000 0.866 135 R HN 0.939 nan 8.270 nan 0.000 0.447 136 D N -2.085 118.260 120.400 -0.091 0.000 2.349 136 D HA 0.114 4.754 4.640 0.000 0.000 0.224 136 D C 1.074 177.344 176.300 -0.050 0.000 1.029 136 D CA 0.738 54.707 54.000 -0.052 0.000 0.879 136 D CB -0.188 40.596 40.800 -0.027 0.000 0.906 136 D HN 0.343 nan 8.370 nan 0.000 0.528 137 G N 0.716 109.472 108.800 -0.074 0.000 2.155 137 G HA2 -0.428 3.532 3.960 0.000 0.000 0.257 137 G HA3 -0.428 3.532 3.960 0.000 0.000 0.257 137 G C 1.187 176.143 174.900 0.093 0.000 0.983 137 G CA 0.469 45.559 45.100 -0.016 0.000 0.676 137 G HN 0.459 nan 8.290 nan 0.000 0.528 138 R N -0.966 119.559 120.500 0.041 0.000 2.210 138 R HA 0.300 4.641 4.340 0.000 0.000 0.203 138 R C 0.732 177.093 176.300 0.103 0.000 1.010 138 R CA 0.595 56.748 56.100 0.088 0.000 1.008 138 R CB 0.353 30.687 30.300 0.058 0.000 0.923 138 R HN 0.389 nan 8.270 nan 0.000 0.469 139 I N 1.279 121.864 120.570 0.026 0.000 2.509 139 I HA 0.262 4.432 4.170 0.000 0.000 0.293 139 I C -0.887 175.239 176.117 0.016 0.000 1.020 139 I CA -1.366 59.970 61.300 0.061 0.000 1.088 139 I CB 1.890 39.947 38.000 0.095 0.000 1.267 139 I HN -0.093 nan 8.210 nan 0.000 0.430 140 L N 5.851 127.116 121.223 0.070 0.000 2.313 140 L HA 0.836 5.176 4.340 0.000 0.000 0.283 140 L C -0.361 176.605 176.870 0.159 0.000 1.013 140 L CA -0.194 54.588 54.840 -0.097 0.000 0.816 140 L CB 1.479 43.382 42.059 -0.259 0.000 1.236 140 L HN 0.695 nan 8.230 nan 0.000 0.419 141 A N 5.096 128.008 122.820 0.154 0.000 2.318 141 A HA 0.762 5.082 4.320 0.000 0.000 0.324 141 A C -1.593 176.000 177.584 0.016 0.000 1.170 141 A CA -0.366 51.646 52.037 -0.042 0.000 0.810 141 A CB 0.547 19.260 19.000 -0.479 0.000 1.198 141 A HN 0.833 nan 8.150 nan 0.000 0.484 142 Y N 0.173 120.403 120.300 -0.117 0.000 2.544 142 Y HA 0.722 5.272 4.550 0.000 0.000 0.342 142 Y C -0.130 175.759 175.900 -0.018 0.000 1.062 142 Y CA -0.872 57.188 58.100 -0.066 0.000 1.023 142 Y CB 1.148 39.578 38.460 -0.050 0.000 1.308 142 Y HN 0.650 nan 8.280 nan 0.000 0.457 143 S N 3.419 119.163 115.700 0.072 0.000 2.525 143 S HA 0.829 5.299 4.470 0.000 0.000 0.290 143 S C -1.086 173.586 174.600 0.119 0.000 1.152 143 S CA -0.745 57.481 58.200 0.044 0.000 1.072 143 S CB 1.289 64.514 63.200 0.042 0.000 1.027 143 S HN 0.752 nan 8.310 nan 0.000 0.500 144 L N 2.471 123.758 121.223 0.106 0.000 2.365 144 L HA 0.606 4.947 4.340 0.000 0.000 0.273 144 L C -0.128 176.797 176.870 0.091 0.000 1.000 144 L CA -0.743 54.156 54.840 0.098 0.000 0.819 144 L CB 2.439 44.530 42.059 0.055 0.000 1.284 144 L HN 0.936 nan 8.230 nan 0.000 0.418 145 S N 2.591 118.338 115.700 0.078 0.000 2.437 145 S HA 0.722 5.193 4.470 0.000 0.000 0.305 145 S C -0.690 173.952 174.600 0.070 0.000 1.109 145 S CA -0.822 57.425 58.200 0.077 0.000 1.099 145 S CB 1.486 64.725 63.200 0.066 0.000 1.004 145 S HN 0.288 nan 8.310 nan 0.000 0.475 146 L N 2.802 124.072 121.223 0.079 0.000 2.399 146 L HA 0.779 5.119 4.340 0.000 0.000 0.265 146 L C 1.372 178.279 176.870 0.063 0.000 1.089 146 L CA 0.898 55.777 54.840 0.064 0.000 0.802 146 L CB 0.336 42.432 42.059 0.062 0.000 1.180 146 L HN 1.130 nan 8.230 nan 0.000 0.454 147 A N 2.385 125.234 122.820 0.049 0.000 4.832 147 A HA -0.223 4.097 4.320 0.000 0.000 0.351 147 A C 1.124 178.738 177.584 0.049 0.000 1.699 147 A CA 1.923 53.989 52.037 0.047 0.000 0.731 147 A CB -1.965 17.067 19.000 0.053 0.000 1.480 147 A HN 1.592 nan 8.150 nan 0.000 0.447 148 G N -1.966 106.869 108.800 0.058 0.000 5.580 148 G HA2 0.534 4.494 3.960 0.000 0.000 0.197 148 G HA3 0.534 4.494 3.960 0.000 0.000 0.197 148 G C -0.127 174.811 174.900 0.063 0.000 0.741 148 G CA 1.514 46.647 45.100 0.055 0.000 0.692 148 G HN 1.643 nan 8.290 nan 0.000 0.300 149 S N -0.539 115.209 115.700 0.080 0.000 2.617 149 S HA 0.356 4.826 4.470 0.000 0.000 0.269 149 S C 0.809 175.429 174.600 0.034 0.000 1.292 149 S CA -0.219 58.040 58.200 0.098 0.000 1.010 149 S CB 1.251 64.567 63.200 0.193 0.000 0.944 149 S HN 0.065 nan 8.310 nan 0.000 0.536 150 D N 1.695 122.045 120.400 -0.083 0.000 2.323 150 D HA 0.104 4.744 4.640 0.000 0.000 0.209 150 D C -0.132 175.936 176.300 -0.386 0.000 0.973 150 D CA 0.277 54.109 54.000 -0.280 0.000 0.874 150 D CB 0.039 40.549 40.800 -0.483 0.000 0.930 150 D HN 0.553 nan 8.370 nan 0.000 0.521 151 W N 1.377 122.624 121.300 -0.089 0.000 2.126 151 W HA 0.245 4.905 4.660 0.000 0.000 0.346 151 W C 1.201 177.699 176.519 -0.035 0.000 1.279 151 W CA -0.240 57.067 57.345 -0.064 0.000 1.259 151 W CB 0.740 30.178 29.460 -0.035 0.000 1.133 151 W HN -0.389 nan 8.180 nan 0.000 0.592 152 R N 0.974 121.635 120.500 0.269 0.000 2.799 152 R HA 0.424 4.764 4.340 0.000 0.000 0.270 152 R C -1.263 175.101 176.300 0.106 0.000 1.010 152 R CA -1.206 54.982 56.100 0.147 0.000 0.916 152 R CB 2.028 32.382 30.300 0.091 0.000 1.228 152 R HN 0.519 nan 8.270 nan 0.000 0.469 153 E N 1.179 121.408 120.200 0.048 0.000 2.272 153 E HA 0.460 4.810 4.350 0.000 0.000 0.269 153 E C -0.609 175.932 176.600 -0.098 0.000 0.877 153 E CA -0.636 55.728 56.400 -0.060 0.000 0.755 153 E CB 2.698 32.363 29.700 -0.059 0.000 1.192 153 E HN 0.336 nan 8.360 nan 0.000 0.422 154 I N 3.272 123.691 120.570 -0.251 0.000 2.328 154 I HA 0.225 4.395 4.170 0.000 0.000 0.287 154 I C -0.489 175.367 176.117 -0.434 0.000 1.012 154 I CA -0.529 60.592 61.300 -0.298 0.000 1.195 154 I CB 0.466 38.271 38.000 -0.325 0.000 1.350 154 I HN 0.409 nan 8.210 nan 0.000 0.464 155 H N 5.824 124.534 119.070 -0.600 0.000 2.481 155 H HA 0.622 5.178 4.556 0.000 0.000 0.339 155 H C -0.300 174.713 175.328 -0.525 0.000 1.131 155 H CA -0.120 55.551 56.048 -0.629 0.000 1.301 155 H CB 1.306 30.491 29.762 -0.962 0.000 1.476 155 H HN 0.402 nan 8.280 nan 0.000 0.529 159 V N 3.301 123.352 119.914 0.228 0.000 2.332 159 V HA -0.169 3.951 4.120 0.000 0.000 0.248 159 V C 2.006 178.259 176.094 0.266 0.000 1.055 159 V CA 1.765 64.254 62.300 0.315 0.000 1.038 159 V CB -0.300 31.691 31.823 0.280 0.000 0.651 159 V HN 0.626 nan 8.190 nan 0.000 0.450 160 E N 0.350 120.671 120.200 0.202 0.000 2.028 160 E HA -0.129 4.221 4.350 0.000 0.000 0.190 160 E C 2.517 179.196 176.600 0.131 0.000 0.984 160 E CA 1.713 58.220 56.400 0.178 0.000 0.800 160 E CB -0.597 29.199 29.700 0.160 0.000 0.758 160 E HN 0.734 nan 8.360 nan 0.000 0.448 161 S N 0.252 116.017 115.700 0.108 0.000 2.461 161 S HA -0.052 4.419 4.470 0.000 0.000 0.228 161 S C 0.662 175.293 174.600 0.051 0.000 1.005 161 S CA 0.573 58.816 58.200 0.071 0.000 0.942 161 S CB -0.124 63.113 63.200 0.062 0.000 0.776 161 S HN 0.176 nan 8.310 nan 0.000 0.514 162 K N -0.194 120.249 120.400 0.072 0.000 3.125 162 K HA -0.150 4.171 4.320 0.000 0.000 0.268 162 K C -0.404 176.185 176.600 -0.017 0.000 1.078 162 K CA 0.693 56.981 56.287 0.002 0.000 0.775 162 K CB -1.524 30.938 32.500 -0.064 0.000 1.253 162 K HN 0.477 nan 8.250 nan 0.000 0.486 163 Q N -0.447 119.370 119.800 0.029 0.000 2.451 163 Q HA 0.460 4.800 4.340 0.000 0.000 0.281 163 Q C -2.715 173.318 176.000 0.056 0.000 1.099 163 Q CA -2.401 53.419 55.803 0.029 0.000 0.806 163 Q CB 1.585 30.340 28.738 0.028 0.000 1.419 163 Q HN -0.181 nan 8.270 nan 0.000 0.427 164 P HA -0.046 nan 4.420 nan 0.000 0.264 164 P C -0.245 177.091 177.300 0.060 0.000 1.193 164 P CA 0.066 63.205 63.100 0.065 0.000 0.763 164 P CB 0.554 32.283 31.700 0.049 0.000 0.810 165 L N 3.493 124.760 121.223 0.073 0.000 2.202 165 L HA 0.161 4.502 4.340 0.000 0.000 0.205 165 L C 0.565 177.470 176.870 0.057 0.000 1.083 165 L CA 1.724 56.611 54.840 0.079 0.000 0.790 165 L CB -0.109 42.022 42.059 0.119 0.000 0.942 165 L HN 0.399 nan 8.230 nan 0.000 0.452 166 E N -1.949 118.272 120.200 0.035 0.000 2.458 166 E HA 0.228 4.578 4.350 0.000 0.000 0.278 166 E C -1.071 175.497 176.600 -0.053 0.000 1.004 166 E CA -0.691 55.712 56.400 0.005 0.000 0.823 166 E CB 0.929 30.647 29.700 0.029 0.000 1.396 166 E HN -0.140 nan 8.360 nan 0.000 0.463 167 T N 2.004 116.510 114.554 -0.080 0.000 2.919 167 T HA 0.192 4.543 4.350 0.000 0.000 0.302 167 T C -2.157 172.403 174.700 -0.232 0.000 1.031 167 T CA -1.353 60.667 62.100 -0.133 0.000 1.127 167 T CB 0.311 69.110 68.868 -0.114 0.000 0.952 167 T HN 0.164 nan 8.240 nan 0.000 0.540 168 P HA 0.134 nan 4.420 nan 0.000 0.267 168 P C -0.355 176.697 177.300 -0.413 0.000 1.200 168 P CA -0.223 62.563 63.100 -0.523 0.000 0.772 168 P CB 0.452 31.588 31.700 -0.939 0.000 0.855 169 L N 2.538 123.496 121.223 -0.440 0.000 2.380 169 L HA 0.242 4.582 4.340 0.000 0.000 0.273 169 L C 1.134 177.818 176.870 -0.310 0.000 1.138 169 L CA -0.050 54.537 54.840 -0.422 0.000 0.832 169 L CB 0.164 41.873 42.059 -0.583 0.000 1.124 169 L HN 0.357 nan 8.230 nan 0.000 0.454 170 K N 1.423 121.686 120.400 -0.230 0.000 2.258 170 K HA 0.323 4.644 4.320 0.000 0.000 0.236 170 K C -0.586 175.984 176.600 -0.051 0.000 1.008 170 K CA -0.965 55.237 56.287 -0.143 0.000 0.869 170 K CB 1.037 33.446 32.500 -0.153 0.000 1.171 170 K HN 0.493 nan 8.250 nan 0.000 0.447 171 D N 0.031 120.432 120.400 0.003 0.000 2.708 171 D HA -0.140 4.500 4.640 0.000 0.000 0.236 171 D C -0.717 175.857 176.300 0.457 0.000 1.146 171 D CA 0.622 54.712 54.000 0.150 0.000 0.662 171 D CB -1.518 39.258 40.800 -0.041 0.000 1.059 171 D HN 0.082 nan 8.370 nan 0.000 0.428 172 V N -0.046 120.088 119.914 0.366 0.000 2.617 172 V HA 0.552 4.673 4.120 0.000 0.000 0.298 172 V C 0.544 176.789 176.094 0.251 0.000 1.048 172 V CA -0.198 62.283 62.300 0.302 0.000 0.964 172 V CB 2.320 34.228 31.823 0.143 0.000 1.004 172 V HN 0.178 nan 8.190 nan 0.000 0.466 173 K N 2.753 123.250 120.400 0.161 0.000 2.542 173 K HA 0.478 4.798 4.320 0.000 0.000 0.259 173 K C -1.055 175.584 176.600 0.064 0.000 0.932 173 K CA -0.744 55.455 56.287 -0.148 0.000 0.820 173 K CB 1.011 33.159 32.500 -0.587 0.000 1.345 173 K HN 0.297 nan 8.250 nan 0.000 0.432 174 F N 0.037 120.062 119.950 0.125 0.000 2.907 174 F HA -0.220 4.307 4.527 0.000 0.000 0.244 174 F C -0.017 175.928 175.800 0.241 0.000 1.007 174 F CA 1.008 59.089 58.000 0.136 0.000 0.872 174 F CB -1.832 37.226 39.000 0.096 0.000 0.767 174 F HN 0.329 nan 8.300 nan 0.000 0.837 175 S N -0.638 115.253 115.700 0.319 0.000 2.536 175 S HA 0.874 5.345 4.470 0.000 0.000 0.298 175 S C 0.407 175.132 174.600 0.208 0.000 1.083 175 S CA 0.025 58.390 58.200 0.275 0.000 0.995 175 S CB 1.707 65.077 63.200 0.283 0.000 1.058 175 S HN 0.655 nan 8.310 nan 0.000 0.488 176 G N 1.776 110.694 108.800 0.197 0.000 2.557 176 G HA2 0.721 4.681 3.960 0.000 0.000 0.302 176 G HA3 0.721 4.681 3.960 0.000 0.000 0.302 176 G C -1.104 173.904 174.900 0.179 0.000 1.311 176 G CA -0.716 44.481 45.100 0.162 0.000 1.030 176 G HN 0.740 nan 8.290 nan 0.000 0.509 177 I N 0.483 121.138 120.570 0.141 0.000 2.529 177 I HA 0.305 4.475 4.170 0.000 0.000 0.284 177 I C -0.554 175.648 176.117 0.143 0.000 1.088 177 I CA -0.362 60.986 61.300 0.081 0.000 1.062 177 I CB 2.105 40.026 38.000 -0.131 0.000 1.218 177 I HN 0.376 nan 8.210 nan 0.000 0.442 178 S N 5.551 121.407 115.700 0.260 0.000 2.659 178 S HA 0.518 4.989 4.470 0.000 0.000 0.312 178 S C -1.185 173.700 174.600 0.475 0.000 1.114 178 S CA -0.428 57.984 58.200 0.353 0.000 1.063 178 S CB 0.734 64.130 63.200 0.327 0.000 0.996 178 S HN 0.397 nan 8.310 nan 0.000 0.478 179 W N 3.747 125.274 121.300 0.378 0.000 2.202 179 W HA 0.479 5.140 4.660 0.000 0.000 0.332 179 W C -0.049 176.719 176.519 0.414 0.000 1.263 179 W CA -0.564 57.026 57.345 0.409 0.000 1.223 179 W CB 0.613 30.246 29.460 0.288 0.000 1.128 179 W HN 0.425 nan 8.180 nan 0.000 0.573 180 L N 4.323 125.978 121.223 0.719 0.000 2.301 180 L HA 0.618 4.958 4.340 0.000 0.000 0.278 180 L C 0.689 177.837 176.870 0.463 0.000 1.022 180 L CA 0.357 55.518 54.840 0.535 0.000 0.854 180 L CB 0.080 42.432 42.059 0.488 0.000 1.226 180 L HN 0.786 nan 8.230 nan 0.000 0.429 181 G N 4.773 113.783 108.800 0.349 0.000 2.651 181 G HA2 -0.391 3.569 3.960 0.000 0.000 0.315 181 G HA3 -0.391 3.569 3.960 0.000 0.000 0.315 181 G C 0.621 175.684 174.900 0.272 0.000 1.258 181 G CA 0.621 45.869 45.100 0.246 0.000 1.002 181 G HN 0.682 nan 8.290 nan 0.000 0.551 182 N N 1.206 120.046 118.700 0.235 0.000 2.238 182 N HA 0.179 4.919 4.740 0.000 0.000 0.235 182 N C 1.463 177.173 175.510 0.334 0.000 1.209 182 N CA 0.653 53.828 53.050 0.209 0.000 0.879 182 N CB 1.020 39.558 38.487 0.084 0.000 1.136 182 N HN 0.743 nan 8.380 nan 0.000 0.517 183 E N 0.343 120.770 120.200 0.379 0.000 2.122 183 E HA 0.164 4.514 4.350 0.000 0.000 0.190 183 E C 1.094 177.855 176.600 0.267 0.000 0.977 183 E CA 0.468 57.054 56.400 0.312 0.000 0.820 183 E CB 0.459 30.348 29.700 0.315 0.000 0.770 183 E HN 0.283 nan 8.360 nan 0.000 0.462 184 G N 0.099 109.101 108.800 0.336 0.000 2.336 184 G HA2 0.352 4.313 3.960 0.000 0.000 0.286 184 G HA3 0.352 4.313 3.960 0.000 0.000 0.286 184 G C -1.794 172.881 174.900 -0.376 0.000 1.269 184 G CA -0.580 44.338 45.100 -0.303 0.000 0.873 184 G HN 0.142 nan 8.290 nan 0.000 0.494 185 F N -2.051 117.319 119.950 -0.967 0.000 2.686 185 F HA 0.848 5.375 4.527 0.000 0.000 0.311 185 F C -1.522 174.042 175.800 -0.393 0.000 1.128 185 F CA -2.005 55.661 58.000 -0.557 0.000 0.946 185 F CB 1.057 39.519 39.000 -0.896 0.000 1.336 185 F HN 0.413 nan 8.300 nan 0.000 0.457 186 F N 2.102 122.253 119.950 0.335 0.000 2.404 186 F HA 0.634 5.161 4.527 0.000 0.000 0.339 186 F C -0.231 175.791 175.800 0.369 0.000 1.105 186 F CA -0.600 57.581 58.000 0.300 0.000 1.087 186 F CB 1.263 40.415 39.000 0.252 0.000 1.143 186 F HN 0.633 nan 8.300 nan 0.000 0.491 187 Y N -1.372 119.134 120.300 0.344 0.000 2.689 187 Y HA 0.793 5.343 4.550 0.000 0.000 0.333 187 Y C -1.210 174.802 175.900 0.187 0.000 1.190 187 Y CA -1.452 56.801 58.100 0.255 0.000 1.063 187 Y CB 1.079 39.692 38.460 0.255 0.000 1.294 187 Y HN 0.337 nan 8.280 nan 0.000 0.466 188 S N 1.002 116.795 115.700 0.156 0.000 2.532 188 S HA 0.786 5.256 4.470 0.000 0.000 0.301 188 S C -1.091 173.539 174.600 0.051 0.000 1.083 188 S CA -0.667 57.452 58.200 -0.135 0.000 1.025 188 S CB 1.571 64.557 63.200 -0.357 0.000 1.056 188 S HN 0.818 nan 8.310 nan 0.000 0.494 189 S N 0.329 115.986 115.700 -0.072 0.000 2.565 189 S HA 0.496 4.966 4.470 0.000 0.000 0.269 189 S C -1.095 173.610 174.600 0.176 0.000 1.153 189 S CA -0.482 57.844 58.200 0.210 0.000 0.835 189 S CB 0.481 63.916 63.200 0.391 0.000 1.122 189 S HN 0.609 nan 8.310 nan 0.000 0.462 190 Y N 1.364 121.936 120.300 0.452 0.000 2.523 190 Y HA 0.264 4.814 4.550 0.000 0.000 0.279 190 Y C 1.264 177.340 175.900 0.293 0.000 1.139 190 Y CA 0.358 58.682 58.100 0.375 0.000 1.296 190 Y CB 0.272 38.915 38.460 0.305 0.000 1.045 190 Y HN 0.559 nan 8.280 nan 0.000 0.538 191 D N -1.034 119.606 120.400 0.401 0.000 2.730 191 D HA 0.197 4.837 4.640 0.000 0.000 0.202 191 D C -0.041 176.395 176.300 0.225 0.000 1.283 191 D CA -0.415 53.747 54.000 0.271 0.000 1.159 191 D CB 0.186 41.105 40.800 0.197 0.000 1.167 191 D HN -0.156 nan 8.370 nan 0.000 0.557 192 K N 0.867 121.326 120.400 0.098 0.000 3.147 192 K HA 0.331 4.652 4.320 0.000 0.000 0.214 192 K C -2.197 174.300 176.600 -0.171 0.000 1.221 192 K CA -1.126 55.178 56.287 0.027 0.000 1.117 192 K CB 0.854 33.385 32.500 0.052 0.000 1.278 192 K HN 0.122 nan 8.250 nan 0.000 0.479 203 D N 0.117 120.512 120.400 -0.009 0.000 2.738 203 D HA 0.126 4.766 4.640 0.000 0.000 0.246 203 D C -0.285 176.114 176.300 0.165 0.000 1.270 203 D CA -0.398 53.579 54.000 -0.037 0.000 0.833 203 D CB 0.227 40.956 40.800 -0.119 0.000 1.040 203 D HN 0.622 nan 8.370 nan 0.000 0.487 204 Q N 0.820 120.756 119.800 0.226 0.000 2.466 204 Q HA 0.170 4.510 4.340 0.000 0.000 0.242 204 Q C -0.452 175.729 176.000 0.303 0.000 1.046 204 Q CA -0.422 55.470 55.803 0.147 0.000 0.841 204 Q CB 1.363 30.008 28.738 -0.155 0.000 1.193 204 Q HN 0.392 nan 8.270 nan 0.000 0.508 205 H N 2.711 121.864 119.070 0.138 0.000 2.848 205 H HA 0.150 4.707 4.556 0.000 0.000 0.341 205 H C -0.524 174.791 175.328 -0.022 0.000 1.060 205 H CA 0.314 56.245 56.048 -0.194 0.000 1.444 205 H CB 0.696 30.332 29.762 -0.210 0.000 1.446 205 H HN 0.393 nan 8.280 nan 0.000 0.583 206 K N 3.315 123.606 120.400 -0.181 0.000 2.426 206 K HA 0.356 4.676 4.320 0.000 0.000 0.251 206 K C -1.220 175.162 176.600 -0.364 0.000 0.941 206 K CA -1.002 55.157 56.287 -0.213 0.000 0.808 206 K CB 2.867 35.208 32.500 -0.265 0.000 1.265 206 K HN 0.202 nan 8.250 nan 0.000 0.432 207 V N 2.841 122.581 119.914 -0.290 0.000 2.439 207 V HA 0.324 4.444 4.120 0.000 0.000 0.282 207 V C -0.991 174.846 176.094 -0.429 0.000 1.039 207 V CA -0.464 61.687 62.300 -0.247 0.000 0.913 207 V CB 0.131 31.929 31.823 -0.043 0.000 0.983 207 V HN 0.568 nan 8.190 nan 0.000 0.460 208 Y N 3.521 123.621 120.300 -0.333 0.000 2.562 208 Y HA 0.630 5.180 4.550 0.000 0.000 0.343 208 Y C -0.551 175.192 175.900 -0.261 0.000 1.025 208 Y CA -1.002 56.886 58.100 -0.354 0.000 1.082 208 Y CB 2.083 40.148 38.460 -0.658 0.000 1.264 208 Y HN 0.577 nan 8.280 nan 0.000 0.478 209 F N 1.901 121.773 119.950 -0.130 0.000 2.449 209 F HA 0.388 4.915 4.527 0.000 0.000 0.342 209 F C -0.933 174.718 175.800 -0.249 0.000 1.127 209 F CA -0.875 56.875 58.000 -0.416 0.000 0.975 209 F CB 0.622 39.250 39.000 -0.621 0.000 1.146 209 F HN 0.550 nan 8.300 nan 0.000 0.444 210 H N 5.716 124.096 119.070 -1.151 0.000 2.556 210 H HA 0.396 4.952 4.556 0.000 0.000 0.310 210 H C -0.546 173.987 175.328 -1.326 0.000 1.057 210 H CA -0.578 54.870 56.048 -1.001 0.000 1.264 210 H CB 0.650 29.797 29.762 -1.024 0.000 1.404 210 H HN 0.730 nan 8.280 nan 0.000 0.462 211 R N 5.619 125.369 120.500 -1.251 0.000 2.265 211 R HA 0.250 4.590 4.340 0.000 0.000 0.314 211 R C -0.448 175.365 176.300 -0.812 0.000 1.053 211 R CA -0.614 55.010 56.100 -0.794 0.000 0.931 211 R CB 0.445 30.584 30.300 -0.269 0.000 1.024 211 R HN 0.674 nan 8.270 nan 0.000 0.457 212 L N 4.031 125.003 121.223 -0.419 0.000 2.485 212 L HA 0.064 4.405 4.340 0.000 0.000 0.275 212 L C 1.357 178.160 176.870 -0.113 0.000 1.207 212 L CA 1.219 55.962 54.840 -0.162 0.000 0.855 212 L CB 0.736 42.848 42.059 0.088 0.000 1.114 212 L HN 1.140 nan 8.230 nan 0.000 0.485 213 G N 1.264 110.039 108.800 -0.043 0.000 2.157 213 G HA2 -0.243 3.717 3.960 0.000 0.000 0.248 213 G HA3 -0.243 3.717 3.960 0.000 0.000 0.248 213 G C 0.177 175.050 174.900 -0.044 0.000 0.979 213 G CA 0.210 45.299 45.100 -0.019 0.000 0.650 213 G HN 0.836 nan 8.290 nan 0.000 0.529 214 T N -2.347 112.149 114.554 -0.097 0.000 2.907 214 T HA 0.882 5.232 4.350 0.000 0.000 0.290 214 T C 0.159 174.878 174.700 0.031 0.000 1.066 214 T CA 0.328 62.385 62.100 -0.072 0.000 1.012 214 T CB 2.173 70.954 68.868 -0.145 0.000 1.184 214 T HN 1.728 nan 8.240 nan 0.000 0.522 215 A N 0.832 123.666 122.820 0.024 0.000 2.340 215 A HA 0.401 4.721 4.320 0.000 0.000 0.268 215 A C 1.466 179.085 177.584 0.058 0.000 1.100 215 A CA -0.342 51.716 52.037 0.036 0.000 0.803 215 A CB 0.455 19.453 19.000 -0.003 0.000 1.043 215 A HN 1.103 nan 8.150 nan 0.000 0.488 216 Q N 1.138 120.944 119.800 0.010 0.000 2.112 216 Q HA -0.278 4.062 4.340 0.000 0.000 0.206 216 Q C 1.665 177.646 176.000 -0.033 0.000 0.987 216 Q CA 2.529 58.310 55.803 -0.038 0.000 0.858 216 Q CB -0.260 28.375 28.738 -0.171 0.000 0.905 216 Q HN 0.946 nan 8.270 nan 0.000 0.420 217 E N -0.592 119.582 120.200 -0.043 0.000 2.273 217 E HA -0.225 4.125 4.350 0.000 0.000 0.198 217 E C 0.487 177.080 176.600 -0.011 0.000 1.002 217 E CA 1.400 57.777 56.400 -0.039 0.000 0.828 217 E CB -0.100 29.580 29.700 -0.032 0.000 0.747 217 E HN 0.453 nan 8.360 nan 0.000 0.491 218 D N 1.312 121.714 120.400 0.003 0.000 2.340 218 D HA 0.045 4.685 4.640 0.000 0.000 0.217 218 D C -0.493 175.828 176.300 0.035 0.000 1.081 218 D CA 0.002 54.012 54.000 0.015 0.000 0.842 218 D CB 0.022 40.823 40.800 0.002 0.000 0.934 218 D HN 0.135 nan 8.370 nan 0.000 0.511 219 D N 1.473 121.903 120.400 0.049 0.000 2.455 219 D HA -0.019 4.621 4.640 0.000 0.000 0.241 219 D C 0.744 177.159 176.300 0.192 0.000 1.138 219 D CA 0.244 54.303 54.000 0.099 0.000 0.877 219 D CB 0.958 41.836 40.800 0.130 0.000 1.187 219 D HN -0.046 nan 8.370 nan 0.000 0.451 220 R N 1.968 122.583 120.500 0.190 0.000 2.389 220 R HA 0.142 4.482 4.340 0.000 0.000 0.295 220 R C -0.450 175.971 176.300 0.202 0.000 1.075 220 R CA -0.752 55.455 56.100 0.179 0.000 1.005 220 R CB 0.367 30.747 30.300 0.134 0.000 0.987 220 R HN 0.232 nan 8.270 nan 0.000 0.452 221 L N 6.314 127.609 121.223 0.120 0.000 2.315 221 L HA 0.096 4.436 4.340 0.000 0.000 0.283 221 L C 0.263 177.082 176.870 -0.086 0.000 1.089 221 L CA 0.460 55.219 54.840 -0.134 0.000 0.833 221 L CB 1.487 43.489 42.059 -0.095 0.000 1.170 221 L HN 0.605 nan 8.230 nan 0.000 0.442 222 V N 5.902 125.759 119.914 -0.095 0.000 2.825 222 V HA 0.210 4.330 4.120 0.000 0.000 0.246 222 V C 0.324 176.472 176.094 0.091 0.000 1.068 222 V CA 0.546 62.876 62.300 0.049 0.000 1.088 222 V CB -0.464 31.471 31.823 0.185 0.000 0.733 222 V HN 0.710 nan 8.190 nan 0.000 0.468 223 F N -1.560 118.282 119.950 -0.179 0.000 2.703 223 F HA 0.607 5.134 4.527 0.000 0.000 0.308 223 F C 0.429 176.145 175.800 -0.139 0.000 1.126 223 F CA 0.282 58.193 58.000 -0.149 0.000 0.959 223 F CB 1.559 40.474 39.000 -0.141 0.000 1.297 223 F HN 0.056 nan 8.300 nan 0.000 0.441 224 G N 1.806 110.160 108.800 -0.742 0.000 2.201 224 G HA2 -0.125 3.835 3.960 0.000 0.000 0.212 224 G HA3 -0.125 3.835 3.960 0.000 0.000 0.212 224 G C 0.653 175.495 174.900 -0.096 0.000 0.994 224 G CA 0.297 45.203 45.100 -0.324 0.000 0.644 224 G HN 1.530 nan 8.290 nan 0.000 0.508 225 A N 0.385 123.121 122.820 -0.141 0.000 1.861 225 A HA 0.609 4.929 4.320 0.000 0.000 0.212 225 A C 1.554 179.162 177.584 0.041 0.000 1.199 225 A CA 1.211 53.250 52.037 0.004 0.000 0.613 225 A CB -0.428 18.552 19.000 -0.034 0.000 0.846 225 A HN 1.563 nan 8.150 nan 0.000 0.446 226 I N -2.746 117.734 120.570 -0.150 0.000 2.754 226 I HA 0.213 4.383 4.170 0.000 0.000 0.285 226 I C -1.943 173.838 176.117 -0.560 0.000 1.166 226 I CA -1.579 59.580 61.300 -0.236 0.000 1.417 226 I CB 0.341 38.216 38.000 -0.209 0.000 1.382 226 I HN -0.073 nan 8.210 nan 0.000 0.588 227 P HA -0.299 nan 4.420 nan 0.000 0.219 227 P C 1.432 178.355 177.300 -0.628 0.000 1.158 227 P CA 2.604 65.158 63.100 -0.911 0.000 0.895 227 P CB 0.040 31.522 31.700 -0.363 0.000 0.792 228 A N -1.105 121.500 122.820 -0.359 0.000 2.125 228 A HA -0.206 4.115 4.320 0.000 0.000 0.219 228 A C 1.953 179.431 177.584 -0.178 0.000 1.156 228 A CA 1.419 53.331 52.037 -0.207 0.000 0.671 228 A CB -0.910 18.013 19.000 -0.128 0.000 0.794 228 A HN 0.301 nan 8.150 nan 0.000 0.459 229 Q N -1.059 118.556 119.800 -0.309 0.000 2.247 229 Q HA 0.089 4.430 4.340 0.000 0.000 0.211 229 Q C -0.605 175.390 176.000 -0.008 0.000 0.861 229 Q CA -0.265 55.357 55.803 -0.302 0.000 0.949 229 Q CB 0.228 28.389 28.738 -0.961 0.000 1.115 229 Q HN 0.821 nan 8.270 nan 0.000 0.507 230 H N 0.692 119.659 119.070 -0.171 0.000 3.107 230 H HA 0.038 4.594 4.556 0.000 0.000 0.301 230 H C -0.615 174.542 175.328 -0.285 0.000 0.981 230 H CA 0.180 56.152 56.048 -0.128 0.000 1.443 230 H CB 0.279 29.971 29.762 -0.116 0.000 1.479 230 H HN 0.158 nan 8.280 nan 0.000 0.564 231 H N 0.665 119.857 119.070 0.203 0.000 3.016 231 H HA 0.161 4.717 4.556 0.000 0.000 0.362 231 H C 0.738 176.131 175.328 0.108 0.000 1.233 231 H CA -0.866 55.285 56.048 0.172 0.000 1.124 231 H CB 1.524 31.441 29.762 0.258 0.000 1.850 231 H HN 0.486 nan 8.280 nan 0.000 0.549 232 R N 0.555 121.105 120.500 0.083 0.000 2.119 232 R HA 0.059 4.399 4.340 0.000 0.000 0.222 232 R C -0.599 175.480 176.300 -0.369 0.000 1.088 232 R CA 1.152 57.119 56.100 -0.222 0.000 0.984 232 R CB 0.365 30.322 30.300 -0.572 0.000 0.884 232 R HN 0.474 nan 8.270 nan 0.000 0.447 233 Y N -0.360 120.095 120.300 0.258 0.000 2.373 233 Y HA 0.384 4.935 4.550 0.000 0.000 0.336 233 Y C -0.621 175.463 175.900 0.306 0.000 0.979 233 Y CA -1.475 56.772 58.100 0.244 0.000 1.080 233 Y CB 2.106 40.613 38.460 0.078 0.000 1.190 233 Y HN -0.198 nan 8.280 nan 0.000 0.446 234 V N -0.192 120.070 119.914 0.579 0.000 2.876 234 V HA 1.124 5.244 4.120 0.000 0.000 0.312 234 V C -0.418 175.752 176.094 0.127 0.000 1.085 234 V CA -0.714 61.718 62.300 0.220 0.000 0.945 234 V CB 1.779 33.693 31.823 0.151 0.000 1.017 234 V HN 0.974 nan 8.190 nan 0.000 0.428 235 G N 1.284 110.098 108.800 0.024 0.000 2.619 235 G HA2 0.961 4.921 3.960 0.000 0.000 0.296 235 G HA3 0.961 4.921 3.960 0.000 0.000 0.296 235 G C -1.043 173.829 174.900 -0.047 0.000 1.334 235 G CA -0.422 44.693 45.100 0.024 0.000 0.934 235 G HN 1.752 nan 8.290 nan 0.000 0.476 236 A N 0.377 123.190 122.820 -0.012 0.000 2.422 236 A HA 0.899 5.219 4.320 0.000 0.000 0.302 236 A C -0.503 177.076 177.584 -0.008 0.000 1.041 236 A CA -0.601 51.390 52.037 -0.076 0.000 0.708 236 A CB 1.931 20.855 19.000 -0.126 0.000 1.257 236 A HN 0.847 nan 8.150 nan 0.000 0.414 237 T N 1.394 115.919 114.554 -0.049 0.000 2.921 237 T HA 0.505 4.855 4.350 0.000 0.000 0.297 237 T C -0.835 173.880 174.700 0.025 0.000 1.013 237 T CA -0.393 61.727 62.100 0.035 0.000 0.990 237 T CB 1.499 70.394 68.868 0.046 0.000 1.023 237 T HN 0.539 nan 8.240 nan 0.000 0.447 238 V N 4.104 124.090 119.914 0.120 0.000 2.407 238 V HA 0.407 4.528 4.120 0.000 0.000 0.278 238 V C 1.151 177.346 176.094 0.167 0.000 1.037 238 V CA -0.802 61.588 62.300 0.149 0.000 0.900 238 V CB 1.300 33.288 31.823 0.276 0.000 0.983 238 V HN 1.133 nan 8.190 nan 0.000 0.459 239 T N 0.899 115.556 114.554 0.171 0.000 2.855 239 T HA 0.027 4.377 4.350 0.000 0.000 0.322 239 T C 1.142 175.936 174.700 0.156 0.000 1.088 239 T CA 0.115 62.323 62.100 0.181 0.000 1.104 239 T CB 0.708 69.730 68.868 0.256 0.000 0.996 239 T HN 0.789 nan 8.240 nan 0.000 0.549 240 E N 0.796 121.063 120.200 0.113 0.000 2.130 240 E HA -0.244 4.106 4.350 0.000 0.000 0.196 240 E C 1.379 178.029 176.600 0.083 0.000 0.998 240 E CA 1.727 58.145 56.400 0.030 0.000 0.806 240 E CB -0.149 29.411 29.700 -0.233 0.000 0.738 240 E HN 0.897 nan 8.360 nan 0.000 0.459 241 D N -0.643 119.850 120.400 0.154 0.000 2.349 241 D HA -0.106 4.534 4.640 0.000 0.000 0.224 241 D C 0.045 176.399 176.300 0.089 0.000 1.029 241 D CA 0.506 54.587 54.000 0.134 0.000 0.879 241 D CB -0.014 40.876 40.800 0.149 0.000 0.906 241 D HN 0.072 nan 8.370 nan 0.000 0.528 242 D N -0.374 120.089 120.400 0.106 0.000 3.079 242 D HA -0.239 4.402 4.640 0.000 0.000 0.214 242 D C 1.142 177.451 176.300 0.016 0.000 1.145 242 D CA 0.869 54.928 54.000 0.098 0.000 0.958 242 D CB -1.045 39.818 40.800 0.105 0.000 1.117 242 D HN 0.469 nan 8.370 nan 0.000 0.416 243 R N -0.666 119.801 120.500 -0.054 0.000 2.112 243 R HA 0.072 4.413 4.340 0.000 0.000 0.216 243 R C 0.416 176.420 176.300 -0.493 0.000 1.080 243 R CA 0.737 56.652 56.100 -0.309 0.000 0.996 243 R CB 0.313 30.337 30.300 -0.460 0.000 0.902 243 R HN -0.031 nan 8.270 nan 0.000 0.449 244 F N 0.520 120.499 119.950 0.049 0.000 2.508 244 F HA 0.364 4.891 4.527 0.000 0.000 0.325 244 F C -0.493 175.298 175.800 -0.015 0.000 1.090 244 F CA -1.261 56.749 58.000 0.017 0.000 0.945 244 F CB 1.734 40.747 39.000 0.021 0.000 1.156 244 F HN -0.143 nan 8.300 nan 0.000 0.463 245 L N 4.566 125.873 121.223 0.140 0.000 2.313 245 L HA 0.602 4.942 4.340 0.000 0.000 0.283 245 L C -1.700 175.140 176.870 -0.050 0.000 1.013 245 L CA -0.347 54.452 54.840 -0.068 0.000 0.816 245 L CB 0.829 42.739 42.059 -0.248 0.000 1.236 245 L HN 0.368 nan 8.230 nan 0.000 0.419 246 L N 6.958 128.130 121.223 -0.086 0.000 2.313 246 L HA 0.516 4.856 4.340 0.000 0.000 0.283 246 L C -0.480 176.303 176.870 -0.145 0.000 1.013 246 L CA -0.263 54.526 54.840 -0.086 0.000 0.816 246 L CB 1.664 43.687 42.059 -0.059 0.000 1.236 246 L HN 0.658 nan 8.230 nan 0.000 0.419 247 I N 2.628 123.103 120.570 -0.159 0.000 2.389 247 I HA 0.256 4.426 4.170 0.000 0.000 0.288 247 I C 0.257 176.246 176.117 -0.214 0.000 0.999 247 I CA -0.305 60.847 61.300 -0.246 0.000 1.129 247 I CB 2.131 39.864 38.000 -0.446 0.000 1.288 247 I HN 0.615 nan 8.210 nan 0.000 0.444 248 S N 5.036 120.627 115.700 -0.182 0.000 2.565 248 S HA 0.894 5.364 4.470 0.000 0.000 0.290 248 S C -0.435 174.075 174.600 -0.151 0.000 1.150 248 S CA -0.672 57.443 58.200 -0.142 0.000 1.058 248 S CB 2.223 65.377 63.200 -0.077 0.000 1.032 248 S HN 0.719 nan 8.310 nan 0.000 0.510 249 A N 1.152 123.881 122.820 -0.153 0.000 2.398 249 A HA 0.935 5.255 4.320 0.000 0.000 0.301 249 A C -0.388 177.160 177.584 -0.061 0.000 1.041 249 A CA -0.494 51.421 52.037 -0.203 0.000 0.711 249 A CB 1.252 19.857 19.000 -0.659 0.000 1.240 249 A HN 1.804 nan 8.150 nan 0.000 0.420 250 A N 1.330 124.247 122.820 0.160 0.000 2.594 250 A HA 0.762 5.083 4.320 0.000 0.000 0.291 250 A C -0.315 177.474 177.584 0.342 0.000 1.105 250 A CA -0.530 51.666 52.037 0.265 0.000 0.694 250 A CB 0.869 19.999 19.000 0.217 0.000 1.291 250 A HN 0.805 nan 8.150 nan 0.000 0.410 251 N N -0.806 118.059 118.700 0.276 0.000 2.166 251 N HA 0.242 4.982 4.740 0.000 0.000 0.213 251 N C -0.066 175.568 175.510 0.206 0.000 1.222 251 N CA 0.615 53.766 53.050 0.169 0.000 0.900 251 N CB 0.825 39.384 38.487 0.120 0.000 1.055 251 N HN 0.821 nan 8.380 nan 0.000 0.515 252 S N -1.691 114.163 115.700 0.256 0.000 2.661 252 S HA 0.128 4.599 4.470 0.000 0.000 0.268 252 S C 0.693 175.364 174.600 0.118 0.000 1.162 252 S CA -0.435 57.885 58.200 0.200 0.000 0.817 252 S CB 0.704 63.971 63.200 0.113 0.000 1.141 252 S HN 0.039 nan 8.310 nan 0.000 0.477 253 T N -1.433 113.146 114.554 0.042 0.000 3.113 253 T HA 0.167 4.517 4.350 0.000 0.000 0.263 253 T C 0.781 175.485 174.700 0.007 0.000 1.143 253 T CA 0.915 63.007 62.100 -0.014 0.000 1.090 253 T CB -0.458 68.390 68.868 -0.033 0.000 0.922 253 T HN 0.894 nan 8.240 nan 0.000 0.521 254 S N 0.814 116.533 115.700 0.031 0.000 2.488 254 S HA 0.577 5.047 4.470 0.000 0.000 0.310 254 S C 0.528 175.152 174.600 0.041 0.000 1.093 254 S CA 0.111 58.328 58.200 0.028 0.000 1.129 254 S CB -0.687 62.528 63.200 0.025 0.000 0.989 254 S HN 1.270 nan 8.310 nan 0.000 0.479 255 G N 3.648 112.468 108.800 0.033 0.000 2.755 255 G HA2 -0.106 3.855 3.960 0.000 0.000 0.686 255 G HA3 -0.106 3.855 3.960 0.000 0.000 0.686 255 G C -0.931 173.999 174.900 0.050 0.000 1.427 255 G CA -0.348 44.775 45.100 0.039 0.000 0.873 255 G HN 1.359 nan 8.290 nan 0.000 0.580 256 N N -0.312 118.410 118.700 0.037 0.000 2.598 256 N HA 0.483 5.223 4.740 0.000 0.000 0.263 256 N C -0.476 175.027 175.510 -0.012 0.000 1.254 256 N CA -1.011 52.055 53.050 0.027 0.000 0.863 256 N CB 1.380 39.870 38.487 0.005 0.000 1.586 256 N HN 0.804 nan 8.380 nan 0.000 0.491 257 R N -0.024 120.449 120.500 -0.045 0.000 2.528 257 R HA 0.594 4.934 4.340 0.000 0.000 0.271 257 R C -0.767 175.365 176.300 -0.281 0.000 1.056 257 R CA -0.725 55.280 56.100 -0.157 0.000 1.117 257 R CB 0.737 30.979 30.300 -0.097 0.000 1.085 257 R HN 0.552 nan 8.270 nan 0.000 0.530 258 L N 1.726 122.658 121.223 -0.484 0.000 2.482 258 L HA 0.431 4.772 4.340 0.000 0.000 0.263 258 L C -1.850 174.643 176.870 -0.629 0.000 0.957 258 L CA -0.499 54.098 54.840 -0.405 0.000 0.836 258 L CB 1.705 43.645 42.059 -0.200 0.000 1.324 258 L HN 0.489 nan 8.230 nan 0.000 0.406 259 Y N 3.149 123.368 120.300 -0.135 0.000 2.545 259 Y HA 0.806 5.356 4.550 0.000 0.000 0.348 259 Y C -0.613 175.223 175.900 -0.107 0.000 1.002 259 Y CA -0.900 57.140 58.100 -0.101 0.000 1.039 259 Y CB 2.322 40.704 38.460 -0.131 0.000 1.271 259 Y HN 0.425 nan 8.280 nan 0.000 0.467 260 V N 2.326 122.299 119.914 0.098 0.000 2.876 260 V HA 0.674 4.794 4.120 0.000 0.000 0.312 260 V C -1.597 174.558 176.094 0.101 0.000 1.085 260 V CA -0.867 61.462 62.300 0.048 0.000 0.945 260 V CB 2.026 33.825 31.823 -0.041 0.000 1.017 260 V HN 0.800 nan 8.190 nan 0.000 0.428 261 K N 3.771 124.251 120.400 0.133 0.000 2.471 261 K HA 0.408 4.728 4.320 0.000 0.000 0.252 261 K C -1.368 175.371 176.600 0.232 0.000 0.938 261 K CA -0.630 55.738 56.287 0.135 0.000 0.796 261 K CB 1.609 34.137 32.500 0.047 0.000 1.161 261 K HN 0.760 nan 8.250 nan 0.000 0.425 262 D N 5.355 125.888 120.400 0.221 0.000 2.352 262 D HA 0.095 4.735 4.640 0.000 0.000 0.245 262 D C 0.875 177.139 176.300 -0.060 0.000 1.224 262 D CA -0.083 53.968 54.000 0.086 0.000 0.879 262 D CB 0.875 41.760 40.800 0.142 0.000 1.057 262 D HN 0.598 nan 8.370 nan 0.000 0.491 263 L N 2.770 123.905 121.223 -0.147 0.000 2.478 263 L HA -0.082 4.258 4.340 0.000 0.000 0.223 263 L C 2.233 179.039 176.870 -0.107 0.000 1.140 263 L CA 0.380 55.164 54.840 -0.094 0.000 0.842 263 L CB -0.270 41.751 42.059 -0.063 0.000 0.953 263 L HN 0.349 nan 8.230 nan 0.000 0.452 264 S N -1.272 114.325 115.700 -0.171 0.000 2.603 264 S HA -0.005 4.465 4.470 0.000 0.000 0.229 264 S C 0.681 175.239 174.600 -0.070 0.000 0.972 264 S CA -0.003 58.122 58.200 -0.124 0.000 0.935 264 S CB -0.123 62.978 63.200 -0.164 0.000 0.769 264 S HN 0.478 nan 8.310 nan 0.000 0.536 265 Q N 0.645 120.412 119.800 -0.055 0.000 2.377 265 Q HA 0.417 4.757 4.340 0.000 0.000 0.271 265 Q C -1.115 174.874 176.000 -0.018 0.000 1.077 265 Q CA -0.716 55.072 55.803 -0.025 0.000 0.820 265 Q CB 1.571 30.304 28.738 -0.008 0.000 1.347 265 Q HN 0.366 nan 8.270 nan 0.000 0.444 266 E N 1.406 121.599 120.200 -0.011 0.000 2.324 266 E HA 0.023 4.373 4.350 0.000 0.000 0.271 266 E C -0.690 175.907 176.600 -0.004 0.000 1.028 266 E CA -0.092 56.303 56.400 -0.009 0.000 0.890 266 E CB 0.139 29.835 29.700 -0.006 0.000 1.004 266 E HN 0.537 nan 8.360 nan 0.000 0.431 267 N N 1.153 119.850 118.700 -0.005 0.000 2.699 267 N HA -0.250 4.491 4.740 0.000 0.000 0.256 267 N C -0.860 174.654 175.510 0.007 0.000 0.993 267 N CA 0.404 53.453 53.050 -0.000 0.000 0.759 267 N CB -0.711 37.776 38.487 -0.000 0.000 0.906 267 N HN 0.529 nan 8.380 nan 0.000 0.541 268 A N 0.578 123.404 122.820 0.011 0.000 2.425 268 A HA 0.452 4.772 4.320 0.000 0.000 0.249 268 A C -1.251 176.351 177.584 0.029 0.000 1.084 268 A CA -0.812 51.240 52.037 0.024 0.000 0.781 268 A CB 0.374 19.394 19.000 0.033 0.000 1.019 268 A HN 0.248 nan 8.150 nan 0.000 0.490 269 P HA 0.323 nan 4.420 nan 0.000 0.276 269 P C -0.647 176.683 177.300 0.051 0.000 1.261 269 P CA -0.447 62.673 63.100 0.034 0.000 0.800 269 P CB 0.680 32.399 31.700 0.032 0.000 1.066 270 L N 0.543 121.797 121.223 0.051 0.000 2.349 270 L HA 0.227 4.567 4.340 0.000 0.000 0.275 270 L C 0.187 177.130 176.870 0.121 0.000 1.115 270 L CA -0.695 54.193 54.840 0.079 0.000 0.820 270 L CB 0.323 42.407 42.059 0.042 0.000 1.135 270 L HN 0.230 nan 8.230 nan 0.000 0.445 271 L N 2.258 123.571 121.223 0.149 0.000 2.334 271 L HA 0.398 4.738 4.340 0.000 0.000 0.276 271 L C 0.203 177.198 176.870 0.207 0.000 1.014 271 L CA -0.140 54.787 54.840 0.144 0.000 0.815 271 L CB 1.928 44.037 42.059 0.083 0.000 1.268 271 L HN 0.434 nan 8.230 nan 0.000 0.428 272 T N 2.021 116.686 114.554 0.186 0.000 2.727 272 T HA 0.229 4.580 4.350 0.000 0.000 0.295 272 T C 1.396 176.104 174.700 0.013 0.000 0.915 272 T CA -0.356 61.801 62.100 0.095 0.000 1.066 272 T CB 0.854 69.787 68.868 0.109 0.000 0.891 272 T HN 0.352 nan 8.240 nan 0.000 0.516 273 V N 2.693 122.574 119.914 -0.054 0.000 2.446 273 V HA 0.091 4.211 4.120 0.000 0.000 0.244 273 V C 0.960 177.160 176.094 0.176 0.000 1.039 273 V CA 1.073 63.426 62.300 0.089 0.000 1.045 273 V CB -0.155 31.678 31.823 0.017 0.000 0.681 273 V HN 0.813 nan 8.190 nan 0.000 0.459 274 Q N -1.047 118.739 119.800 -0.023 0.000 2.280 274 Q HA 0.459 4.800 4.340 0.000 0.000 0.259 274 Q C 0.168 176.073 176.000 -0.159 0.000 0.964 274 Q CA 0.190 55.980 55.803 -0.022 0.000 0.844 274 Q CB 1.950 30.754 28.738 0.111 0.000 1.334 274 Q HN 0.295 nan 8.270 nan 0.000 0.423 275 G N 2.611 111.357 108.800 -0.090 0.000 3.088 275 G HA2 0.105 4.065 3.960 0.000 0.000 0.217 275 G HA3 0.105 4.065 3.960 0.000 0.000 0.217 275 G C -0.207 174.708 174.900 0.024 0.000 1.159 275 G CA 0.398 45.477 45.100 -0.035 0.000 0.760 275 G HN 0.704 nan 8.290 nan 0.000 0.550 276 D N -1.221 119.181 120.400 0.004 0.000 2.497 276 D HA 0.437 5.077 4.640 0.000 0.000 0.243 276 D C 0.422 176.747 176.300 0.041 0.000 1.039 276 D CA -0.931 53.088 54.000 0.032 0.000 1.052 276 D CB 1.059 41.863 40.800 0.007 0.000 1.344 276 D HN -0.096 nan 8.370 nan 0.000 0.553 277 L N 0.160 121.417 121.223 0.057 0.000 2.872 277 L HA 0.271 4.611 4.340 0.000 0.000 0.245 277 L C 0.263 177.158 176.870 0.042 0.000 1.211 277 L CA -0.193 54.685 54.840 0.063 0.000 1.013 277 L CB -0.011 42.103 42.059 0.090 0.000 1.326 277 L HN 0.347 nan 8.230 nan 0.000 0.525 278 D N 1.294 121.710 120.400 0.027 0.000 2.349 278 D HA 0.224 4.864 4.640 0.000 0.000 0.224 278 D C 0.756 177.069 176.300 0.022 0.000 1.029 278 D CA 0.424 54.434 54.000 0.017 0.000 0.879 278 D CB 0.730 41.530 40.800 0.001 0.000 0.906 278 D HN 0.340 nan 8.370 nan 0.000 0.528 279 A N 0.288 123.128 122.820 0.034 0.000 2.599 279 A HA 0.324 4.644 4.320 0.000 0.000 0.294 279 A C -1.622 175.991 177.584 0.049 0.000 1.055 279 A CA -0.854 51.210 52.037 0.045 0.000 0.683 279 A CB 1.308 20.346 19.000 0.064 0.000 1.278 279 A HN -0.199 nan 8.150 nan 0.000 0.412 280 D N 0.734 121.155 120.400 0.036 0.000 2.256 280 D HA 0.455 5.095 4.640 0.000 0.000 0.250 280 D C -0.793 175.514 176.300 0.011 0.000 1.093 280 D CA 0.237 54.246 54.000 0.015 0.000 0.882 280 D CB 2.038 42.836 40.800 -0.003 0.000 1.185 280 D HN 0.650 nan 8.370 nan 0.000 0.437 281 V N 1.184 121.087 119.914 -0.017 0.000 2.777 281 V HA 0.557 4.677 4.120 0.000 0.000 0.306 281 V C -1.216 174.812 176.094 -0.110 0.000 1.112 281 V CA -0.328 61.925 62.300 -0.078 0.000 0.917 281 V CB 1.931 33.725 31.823 -0.048 0.000 1.018 281 V HN 0.720 nan 8.190 nan 0.000 0.426 282 S N 6.025 121.639 115.700 -0.144 0.000 2.564 282 S HA 0.763 5.233 4.470 0.000 0.000 0.274 282 S C -1.065 173.452 174.600 -0.139 0.000 1.124 282 S CA -0.787 57.341 58.200 -0.120 0.000 0.869 282 S CB 1.748 64.896 63.200 -0.085 0.000 1.105 282 S HN 1.498 nan 8.310 nan 0.000 0.472 283 L N 2.657 123.818 121.223 -0.104 0.000 2.380 283 L HA 0.549 4.890 4.340 0.000 0.000 0.273 283 L C 0.300 177.146 176.870 -0.039 0.000 1.138 283 L CA 0.312 55.104 54.840 -0.081 0.000 0.832 283 L CB 0.938 42.969 42.059 -0.047 0.000 1.124 283 L HN 0.685 nan 8.230 nan 0.000 0.454 284 V N 2.562 122.466 119.914 -0.017 0.000 2.806 284 V HA 0.346 4.466 4.120 0.000 0.000 0.239 284 V C 0.139 176.276 176.094 0.071 0.000 1.113 284 V CA 0.915 63.219 62.300 0.007 0.000 1.137 284 V CB 0.036 31.844 31.823 -0.024 0.000 0.865 284 V HN 0.968 nan 8.190 nan 0.000 0.482 285 D N -1.464 119.012 120.400 0.126 0.000 2.804 285 D HA 0.189 4.829 4.640 0.000 0.000 0.309 285 D C -1.931 174.554 176.300 0.308 0.000 1.311 285 D CA -0.465 53.661 54.000 0.210 0.000 0.765 285 D CB 0.875 41.829 40.800 0.256 0.000 1.293 285 D HN 0.276 nan 8.370 nan 0.000 0.434 286 N N 0.804 119.713 118.700 0.347 0.000 2.405 286 N HA 0.500 5.240 4.740 0.000 0.000 0.285 286 N C -1.324 174.399 175.510 0.355 0.000 1.262 286 N CA -0.683 52.603 53.050 0.394 0.000 0.773 286 N CB 2.494 41.193 38.487 0.352 0.000 1.490 286 N HN 0.203 nan 8.380 nan 0.000 0.486 287 K N 0.488 121.116 120.400 0.381 0.000 2.637 287 K HA 0.381 4.702 4.320 0.000 0.000 0.248 287 K C 0.375 177.095 176.600 0.202 0.000 0.971 287 K CA 0.409 56.817 56.287 0.201 0.000 0.858 287 K CB 0.659 33.338 32.500 0.299 0.000 1.170 287 K HN 1.013 nan 8.250 nan 0.000 0.443 288 G N 2.670 111.556 108.800 0.144 0.000 2.583 288 G HA2 -0.375 3.585 3.960 0.000 0.000 0.292 288 G HA3 -0.375 3.585 3.960 0.000 0.000 0.292 288 G C 0.475 175.542 174.900 0.278 0.000 1.203 288 G CA 0.781 45.971 45.100 0.150 0.000 0.987 288 G HN 0.814 nan 8.290 nan 0.000 0.554 289 S N -0.733 115.105 115.700 0.231 0.000 2.556 289 S HA 0.401 4.871 4.470 0.000 0.000 0.216 289 S C 0.824 175.462 174.600 0.064 0.000 0.970 289 S CA 1.209 59.578 58.200 0.281 0.000 0.912 289 S CB 0.209 63.533 63.200 0.207 0.000 0.790 289 S HN 0.975 nan 8.310 nan 0.000 0.504 290 T N 3.529 118.120 114.554 0.063 0.000 2.794 290 T HA 0.465 4.815 4.350 0.000 0.000 0.296 290 T C -0.246 174.395 174.700 -0.099 0.000 0.949 290 T CA -0.328 61.733 62.100 -0.065 0.000 1.101 290 T CB 0.694 69.525 68.868 -0.062 0.000 0.905 290 T HN 0.277 nan 8.240 nan 0.000 0.516 291 L N 3.592 124.657 121.223 -0.264 0.000 2.307 291 L HA 0.462 4.802 4.340 0.000 0.000 0.282 291 L C -0.713 175.948 176.870 -0.349 0.000 1.051 291 L CA -0.982 53.716 54.840 -0.238 0.000 0.804 291 L CB 0.725 42.587 42.059 -0.328 0.000 1.197 291 L HN 0.645 nan 8.230 nan 0.000 0.431 292 Y N 3.922 124.128 120.300 -0.156 0.000 2.331 292 Y HA 0.579 5.129 4.550 0.000 0.000 0.338 292 Y C -0.148 175.609 175.900 -0.239 0.000 0.976 292 Y CA -0.503 57.484 58.100 -0.188 0.000 1.137 292 Y CB 1.274 39.642 38.460 -0.154 0.000 1.172 292 Y HN 0.328 nan 8.280 nan 0.000 0.478 293 L N 4.608 125.679 121.223 -0.252 0.000 2.370 293 L HA 0.562 4.903 4.340 0.000 0.000 0.266 293 L C -1.216 175.480 176.870 -0.289 0.000 1.002 293 L CA -1.185 53.461 54.840 -0.324 0.000 0.818 293 L CB 2.066 43.770 42.059 -0.591 0.000 1.325 293 L HN 0.424 nan 8.230 nan 0.000 0.418 294 L N 1.461 122.545 121.223 -0.232 0.000 2.307 294 L HA 0.816 5.156 4.340 0.000 0.000 0.284 294 L C -0.263 176.501 176.870 -0.178 0.000 1.023 294 L CA 0.541 55.270 54.840 -0.185 0.000 0.810 294 L CB 1.778 43.748 42.059 -0.149 0.000 1.231 294 L HN 0.706 nan 8.230 nan 0.000 0.423 295 T N 2.150 116.626 114.554 -0.130 0.000 2.821 295 T HA 0.392 4.742 4.350 0.000 0.000 0.306 295 T C -0.353 174.346 174.700 -0.001 0.000 1.313 295 T CA -0.318 61.746 62.100 -0.060 0.000 1.012 295 T CB 1.106 69.952 68.868 -0.036 0.000 1.298 295 T HN 0.772 nan 8.240 nan 0.000 0.502 296 N N 1.395 120.114 118.700 0.032 0.000 2.235 296 N HA 0.111 4.851 4.740 0.000 0.000 0.231 296 N C 0.188 175.734 175.510 0.061 0.000 1.177 296 N CA -0.492 52.580 53.050 0.036 0.000 0.874 296 N CB 0.059 38.559 38.487 0.022 0.000 1.097 296 N HN 0.503 nan 8.380 nan 0.000 0.518 297 R N 1.563 122.129 120.500 0.111 0.000 2.404 297 R HA 0.013 4.353 4.340 0.000 0.000 0.315 297 R C -0.626 175.718 176.300 0.073 0.000 1.032 297 R CA 0.287 56.451 56.100 0.106 0.000 0.992 297 R CB -0.141 30.273 30.300 0.190 0.000 0.959 297 R HN 0.093 nan 8.270 nan 0.000 0.428 298 D N 1.744 122.164 120.400 0.032 0.000 2.945 298 D HA -0.213 4.427 4.640 0.000 0.000 0.225 298 D C -1.113 175.204 176.300 0.028 0.000 1.158 298 D CA 1.522 55.533 54.000 0.018 0.000 0.805 298 D CB -0.965 39.838 40.800 0.004 0.000 1.098 298 D HN 0.643 nan 8.370 nan 0.000 0.426 299 A N -1.024 121.816 122.820 0.035 0.000 2.771 299 A HA 0.514 4.834 4.320 0.000 0.000 0.301 299 A C -2.119 175.485 177.584 0.033 0.000 1.194 299 A CA -0.842 51.215 52.037 0.034 0.000 0.837 299 A CB 1.162 20.183 19.000 0.036 0.000 1.438 299 A HN -0.175 nan 8.150 nan 0.000 0.436 300 P HA -0.156 nan 4.420 nan 0.000 0.217 300 P C 0.910 178.234 177.300 0.040 0.000 1.148 300 P CA 1.390 64.512 63.100 0.037 0.000 0.828 300 P CB 0.240 31.966 31.700 0.042 0.000 0.783 301 N N -0.983 117.743 118.700 0.044 0.000 2.322 301 N HA 0.074 4.815 4.740 0.000 0.000 0.194 301 N C -0.178 175.357 175.510 0.041 0.000 1.126 301 N CA 0.167 53.248 53.050 0.052 0.000 0.845 301 N CB -0.148 38.381 38.487 0.069 0.000 0.976 301 N HN 0.119 nan 8.380 nan 0.000 0.475 302 R N 0.065 120.579 120.500 0.024 0.000 3.286 302 R HA -0.201 4.139 4.340 0.000 0.000 0.524 302 R C -0.323 175.977 176.300 -0.001 0.000 0.855 302 R CA 0.569 56.670 56.100 0.001 0.000 1.580 302 R CB -0.518 29.765 30.300 -0.027 0.000 2.083 302 R HN 0.451 nan 8.270 nan 0.000 0.541 303 R N -0.174 120.309 120.500 -0.028 0.000 2.734 303 R HA 0.720 5.060 4.340 0.000 0.000 0.271 303 R C -1.686 174.556 176.300 -0.096 0.000 1.021 303 R CA -1.207 54.866 56.100 -0.044 0.000 0.893 303 R CB 1.103 31.393 30.300 -0.016 0.000 1.244 303 R HN 0.339 nan 8.270 nan 0.000 0.464 304 L N 2.153 123.299 121.223 -0.128 0.000 2.305 304 L HA 0.587 4.927 4.340 0.000 0.000 0.284 304 L C -0.666 176.105 176.870 -0.166 0.000 1.013 304 L CA -0.511 54.230 54.840 -0.165 0.000 0.819 304 L CB 1.758 43.702 42.059 -0.192 0.000 1.227 304 L HN 0.657 nan 8.230 nan 0.000 0.417 305 V N 1.478 121.265 119.914 -0.211 0.000 3.166 305 V HA 0.964 5.084 4.120 0.000 0.000 0.317 305 V C -0.181 175.712 176.094 -0.334 0.000 1.136 305 V CA 0.020 62.190 62.300 -0.218 0.000 1.035 305 V CB 1.802 33.522 31.823 -0.172 0.000 1.110 305 V HN 0.888 nan 8.190 nan 0.000 0.450 306 T N -1.055 113.309 114.554 -0.317 0.000 2.906 306 T HA 0.848 5.198 4.350 0.000 0.000 0.295 306 T C -0.886 173.660 174.700 -0.256 0.000 1.075 306 T CA -0.585 61.249 62.100 -0.443 0.000 1.005 306 T CB 1.608 70.146 68.868 -0.550 0.000 1.136 306 T HN 1.920 nan 8.240 nan 0.000 0.498 307 V N 0.533 120.294 119.914 -0.254 0.000 3.108 307 V HA 0.441 4.561 4.120 0.000 0.000 0.287 307 V C -1.763 174.253 176.094 -0.129 0.000 1.436 307 V CA -0.849 61.401 62.300 -0.083 0.000 1.001 307 V CB 2.225 34.102 31.823 0.090 0.000 1.141 307 V HN 1.257 nan 8.190 nan 0.000 0.443 308 D N 3.742 124.096 120.400 -0.076 0.000 2.389 308 D HA 0.552 5.192 4.640 0.000 0.000 0.247 308 D C 1.131 177.366 176.300 -0.109 0.000 1.128 308 D CA 0.739 54.687 54.000 -0.086 0.000 0.884 308 D CB 2.070 42.841 40.800 -0.050 0.000 1.194 308 D HN 0.842 nan 8.370 nan 0.000 0.441 309 A N 3.641 126.363 122.820 -0.164 0.000 2.019 309 A HA -0.078 4.243 4.320 0.000 0.000 0.219 309 A C 2.064 179.610 177.584 -0.063 0.000 1.164 309 A CA 1.660 53.569 52.037 -0.214 0.000 0.644 309 A CB -0.749 17.967 19.000 -0.474 0.000 0.805 309 A HN 0.671 nan 8.150 nan 0.000 0.449 310 A N -1.242 121.568 122.820 -0.018 0.000 2.172 310 A HA 0.028 4.348 4.320 0.000 0.000 0.216 310 A C 0.995 178.552 177.584 -0.045 0.000 1.154 310 A CA 1.440 53.476 52.037 -0.001 0.000 0.701 310 A CB -0.291 18.715 19.000 0.010 0.000 0.789 310 A HN 0.503 nan 8.150 nan 0.000 0.465 311 N N -1.619 117.029 118.700 -0.087 0.000 2.805 311 N HA 0.126 4.866 4.740 0.000 0.000 0.216 311 N C -2.584 172.835 175.510 -0.152 0.000 1.447 311 N CA -0.709 52.240 53.050 -0.169 0.000 0.785 311 N CB 0.942 39.253 38.487 -0.293 0.000 1.458 311 N HN -0.010 nan 8.380 nan 0.000 0.547 312 P HA 0.157 nan 4.420 nan 0.000 0.245 312 P C 0.780 178.272 177.300 0.319 0.000 1.212 312 P CA 0.127 63.301 63.100 0.124 0.000 0.774 312 P CB -0.097 31.630 31.700 0.044 0.000 0.999 313 G N 2.103 111.027 108.800 0.207 0.000 2.614 313 G HA2 0.077 4.037 3.960 0.000 0.000 0.239 313 G HA3 0.077 4.037 3.960 0.000 0.000 0.239 313 G C -1.553 173.196 174.900 -0.251 0.000 1.240 313 G CA -0.861 44.300 45.100 0.102 0.000 0.842 313 G HN 0.007 nan 8.290 nan 0.000 0.584 314 P HA -0.221 nan 4.420 nan 0.000 0.216 314 P C 2.097 178.811 177.300 -0.977 0.000 1.154 314 P CA 2.303 64.322 63.100 -1.802 0.000 0.865 314 P CB 0.156 31.115 31.700 -1.235 0.000 0.789 315 A N -1.196 121.262 122.820 -0.605 0.000 2.131 315 A HA -0.212 4.109 4.320 0.000 0.000 0.220 315 A C 1.362 178.609 177.584 -0.561 0.000 1.158 315 A CA 1.626 53.338 52.037 -0.541 0.000 0.665 315 A CB -1.537 17.125 19.000 -0.562 0.000 0.795 315 A HN 0.357 nan 8.150 nan 0.000 0.460 316 H N -3.142 115.826 119.070 -0.170 0.000 2.586 316 H HA 0.116 4.672 4.556 0.000 0.000 0.273 316 H C -0.400 175.005 175.328 0.128 0.000 0.997 316 H CA -0.469 55.569 56.048 -0.016 0.000 1.177 316 H CB 0.083 29.854 29.762 0.016 0.000 1.471 316 H HN 0.538 nan 8.280 nan 0.000 0.538 317 W N 2.270 123.564 121.300 -0.010 0.000 2.216 317 W HA 0.331 4.992 4.660 0.000 0.000 0.326 317 W C 0.280 176.763 176.519 -0.060 0.000 1.319 317 W CA -0.674 56.642 57.345 -0.049 0.000 1.213 317 W CB 0.286 29.706 29.460 -0.066 0.000 1.171 317 W HN -0.029 nan 8.180 nan 0.000 0.557 318 R N 2.037 122.620 120.500 0.139 0.000 2.534 318 R HA 0.187 4.527 4.340 0.000 0.000 0.301 318 R C -0.627 175.671 176.300 -0.003 0.000 0.961 318 R CA -1.167 54.963 56.100 0.049 0.000 0.871 318 R CB 1.241 31.551 30.300 0.017 0.000 1.170 318 R HN 0.351 nan 8.270 nan 0.000 0.446 319 D N 2.336 122.734 120.400 -0.002 0.000 2.493 319 D HA -0.050 4.590 4.640 0.000 0.000 0.240 319 D C 0.977 177.237 176.300 -0.066 0.000 1.142 319 D CA 0.091 54.070 54.000 -0.035 0.000 0.872 319 D CB 1.184 41.971 40.800 -0.020 0.000 1.173 319 D HN 0.248 nan 8.370 nan 0.000 0.467 320 L N 2.905 124.062 121.223 -0.110 0.000 2.445 320 L HA 0.319 4.659 4.340 0.000 0.000 0.207 320 L C 0.331 177.077 176.870 -0.206 0.000 1.053 320 L CA 0.717 55.479 54.840 -0.130 0.000 0.841 320 L CB 0.479 42.457 42.059 -0.135 0.000 1.074 320 L HN 0.356 nan 8.230 nan 0.000 0.479 321 I N 1.349 121.776 120.570 -0.237 0.000 2.521 321 I HA 0.308 4.479 4.170 0.000 0.000 0.277 321 I C -2.314 173.726 176.117 -0.127 0.000 1.054 321 I CA -1.800 59.325 61.300 -0.292 0.000 1.117 321 I CB 1.416 39.153 38.000 -0.439 0.000 1.217 321 I HN -0.002 nan 8.210 nan 0.000 0.469 322 P HA 0.022 nan 4.420 nan 0.000 0.270 322 P C -0.097 177.210 177.300 0.011 0.000 1.223 322 P CA -0.203 62.886 63.100 -0.019 0.000 0.785 322 P CB 0.638 32.335 31.700 -0.005 0.000 0.923 323 E N 1.849 122.060 120.200 0.019 0.000 2.438 323 E HA 0.006 4.356 4.350 0.000 0.000 0.261 323 E C -0.052 176.574 176.600 0.044 0.000 1.103 323 E CA 0.142 56.566 56.400 0.041 0.000 0.959 323 E CB 0.406 30.126 29.700 0.033 0.000 0.958 323 E HN 0.275 nan 8.360 nan 0.000 0.447 324 R N 1.685 122.221 120.500 0.061 0.000 3.045 324 R HA 0.119 4.459 4.340 0.000 0.000 0.245 324 R C 0.806 177.117 176.300 0.019 0.000 1.333 324 R CA -0.660 55.447 56.100 0.012 0.000 1.036 324 R CB 0.243 30.503 30.300 -0.067 0.000 1.340 324 R HN 0.577 nan 8.270 nan 0.000 0.488 325 Q N 0.350 120.141 119.800 -0.014 0.000 2.311 325 Q HA -0.044 4.296 4.340 0.000 0.000 0.203 325 Q C -0.364 175.654 176.000 0.030 0.000 0.954 325 Q CA 1.231 57.041 55.803 0.012 0.000 0.885 325 Q CB 0.476 29.215 28.738 0.002 0.000 0.963 325 Q HN 0.240 nan 8.270 nan 0.000 0.471 326 Q N -0.509 119.303 119.800 0.020 0.000 2.245 326 Q HA 0.315 4.655 4.340 0.000 0.000 0.256 326 Q C -1.043 175.081 176.000 0.207 0.000 0.942 326 Q CA -0.407 55.448 55.803 0.086 0.000 0.896 326 Q CB 2.060 30.836 28.738 0.064 0.000 1.272 326 Q HN -0.066 nan 8.270 nan 0.000 0.442 327 V N 2.817 122.819 119.914 0.146 0.000 2.599 327 V HA -0.018 4.102 4.120 0.000 0.000 0.300 327 V C -0.114 176.033 176.094 0.088 0.000 1.034 327 V CA -0.067 62.294 62.300 0.102 0.000 1.115 327 V CB 0.182 32.031 31.823 0.044 0.000 0.934 327 V HN 0.596 nan 8.190 nan 0.000 0.485 328 L N 5.938 127.161 121.223 -0.000 0.000 2.334 328 L HA 0.681 5.021 4.340 0.000 0.000 0.277 328 L C 0.125 176.853 176.870 -0.237 0.000 1.075 328 L CA 0.857 55.559 54.840 -0.230 0.000 0.804 328 L CB 1.841 43.803 42.059 -0.161 0.000 1.174 328 L HN 0.732 nan 8.230 nan 0.000 0.438 329 T N 3.747 118.097 114.554 -0.341 0.000 2.916 329 T HA 0.636 4.986 4.350 0.000 0.000 0.298 329 T C -1.203 173.278 174.700 -0.364 0.000 1.031 329 T CA -0.389 61.536 62.100 -0.291 0.000 0.993 329 T CB 1.695 70.429 68.868 -0.223 0.000 1.045 329 T HN 0.395 nan 8.240 nan 0.000 0.454 330 V N 4.221 123.909 119.914 -0.376 0.000 2.628 330 V HA 0.592 4.712 4.120 0.000 0.000 0.306 330 V C -0.663 175.193 176.094 -0.398 0.000 1.045 330 V CA -0.856 61.258 62.300 -0.309 0.000 0.905 330 V CB 1.863 33.562 31.823 -0.207 0.000 0.997 330 V HN 0.856 nan 8.190 nan 0.000 0.436 331 H N 1.644 120.763 119.070 0.082 0.000 2.821 331 H HA 0.727 5.283 4.556 0.000 0.000 0.373 331 H C -0.587 174.907 175.328 0.277 0.000 1.165 331 H CA -0.558 55.599 56.048 0.181 0.000 1.154 331 H CB 2.403 32.312 29.762 0.246 0.000 1.765 331 H HN 0.717 nan 8.280 nan 0.000 0.549 332 S N 0.620 116.568 115.700 0.413 0.000 2.541 332 S HA 0.829 5.299 4.470 0.000 0.000 0.280 332 S C -0.223 174.653 174.600 0.460 0.000 1.112 332 S CA -0.531 57.913 58.200 0.406 0.000 0.925 332 S CB 2.699 66.052 63.200 0.255 0.000 1.067 332 S HN 1.035 nan 8.310 nan 0.000 0.479 333 G N 0.005 109.142 108.800 0.562 0.000 2.556 333 G HA2 0.501 4.461 3.960 0.000 0.000 0.294 333 G HA3 0.501 4.461 3.960 0.000 0.000 0.294 333 G C -0.171 175.049 174.900 0.533 0.000 1.516 333 G CA -0.147 45.242 45.100 0.481 0.000 0.824 333 G HN 1.591 nan 8.290 nan 0.000 0.535 334 S N -1.109 114.818 115.700 0.380 0.000 3.473 334 S HA -0.069 4.401 4.470 0.000 0.000 0.339 334 S C 1.965 176.691 174.600 0.210 0.000 1.148 334 S CA 2.414 60.811 58.200 0.329 0.000 0.969 334 S CB -1.258 62.198 63.200 0.427 0.000 0.936 334 S HN 2.895 nan 8.310 nan 0.000 0.530 335 G N -1.500 107.370 108.800 0.116 0.000 2.136 335 G HA2 -0.305 3.655 3.960 0.000 0.000 0.242 335 G HA3 -0.305 3.655 3.960 0.000 0.000 0.242 335 G C -0.269 174.472 174.900 -0.266 0.000 0.989 335 G CA 0.488 45.446 45.100 -0.237 0.000 0.682 335 G HN 0.709 nan 8.290 nan 0.000 0.522 336 Y N -1.314 119.187 120.300 0.335 0.000 2.605 336 Y HA 0.746 5.296 4.550 0.000 0.000 0.343 336 Y C 0.439 176.246 175.900 -0.155 0.000 1.036 336 Y CA -1.219 56.918 58.100 0.061 0.000 1.065 336 Y CB 1.561 39.907 38.460 -0.190 0.000 1.288 336 Y HN 0.085 nan 8.280 nan 0.000 0.481 337 L N 2.366 123.432 121.223 -0.261 0.000 2.322 337 L HA 0.522 4.863 4.340 0.000 0.000 0.281 337 L C -1.476 175.134 176.870 -0.433 0.000 1.014 337 L CA -0.493 54.166 54.840 -0.302 0.000 0.815 337 L CB 1.047 42.895 42.059 -0.351 0.000 1.247 337 L HN 0.439 nan 8.230 nan 0.000 0.421 338 F N 1.939 121.935 119.950 0.077 0.000 2.402 338 F HA 0.583 5.110 4.527 0.000 0.000 0.355 338 F C 0.477 176.262 175.800 -0.025 0.000 1.123 338 F CA -0.646 57.350 58.000 -0.006 0.000 1.021 338 F CB 1.683 40.592 39.000 -0.152 0.000 1.160 338 F HN 0.423 nan 8.300 nan 0.000 0.451 339 A N 3.407 126.288 122.820 0.101 0.000 2.260 339 A HA 0.486 4.807 4.320 0.000 0.000 0.308 339 A C -0.291 177.179 177.584 -0.190 0.000 1.254 339 A CA -0.475 51.503 52.037 -0.098 0.000 0.874 339 A CB 0.421 19.422 19.000 0.001 0.000 1.153 339 A HN 0.783 nan 8.150 nan 0.000 0.527 340 E N 2.675 122.686 120.200 -0.316 0.000 2.183 340 E HA 0.628 4.979 4.350 0.000 0.000 0.271 340 E C -1.565 174.800 176.600 -0.393 0.000 0.919 340 E CA -0.323 55.958 56.400 -0.199 0.000 0.781 340 E CB 0.868 30.589 29.700 0.035 0.000 1.140 340 E HN 0.647 nan 8.360 nan 0.000 0.402 344 D N 3.620 123.893 120.400 -0.213 0.000 2.772 344 D HA -0.269 4.371 4.640 0.000 0.000 0.233 344 D C 1.157 177.369 176.300 -0.146 0.000 1.143 344 D CA 1.834 55.748 54.000 -0.144 0.000 0.700 344 D CB -0.918 40.005 40.800 0.205 0.000 1.076 344 D HN 1.947 nan 8.370 nan 0.000 0.430 345 A N -2.311 120.371 122.820 -0.230 0.000 3.396 345 A HA -0.266 4.055 4.320 0.000 0.000 0.267 345 A C 0.955 178.496 177.584 -0.071 0.000 1.139 345 A CA 2.408 54.362 52.037 -0.139 0.000 1.115 345 A CB -2.229 16.715 19.000 -0.094 0.000 1.133 345 A HN 1.086 nan 8.150 nan 0.000 0.920 346 T N -2.308 112.222 114.554 -0.042 0.000 2.940 346 T HA 0.847 5.197 4.350 0.000 0.000 0.288 346 T C 0.169 174.881 174.700 0.020 0.000 1.033 346 T CA 0.068 62.164 62.100 -0.007 0.000 1.033 346 T CB 1.813 70.700 68.868 0.032 0.000 1.079 346 T HN 1.991 nan 8.240 nan 0.000 0.496 347 A N 2.360 125.205 122.820 0.042 0.000 2.445 347 A HA 0.655 4.976 4.320 0.000 0.000 0.242 347 A C 0.205 177.835 177.584 0.077 0.000 1.075 347 A CA -0.549 51.529 52.037 0.067 0.000 0.777 347 A CB 0.046 19.098 19.000 0.086 0.000 1.013 347 A HN 0.733 nan 8.150 nan 0.000 0.493 348 R N 0.707 121.253 120.500 0.076 0.000 2.564 348 R HA 0.555 4.895 4.340 0.000 0.000 0.284 348 R C -1.935 174.395 176.300 0.050 0.000 1.031 348 R CA -0.599 55.539 56.100 0.064 0.000 0.904 348 R CB 1.692 32.050 30.300 0.096 0.000 1.199 348 R HN 0.455 nan 8.270 nan 0.000 0.443 349 V N 2.468 122.344 119.914 -0.063 0.000 2.525 349 V HA 0.412 4.532 4.120 0.000 0.000 0.299 349 V C -0.274 175.737 176.094 -0.138 0.000 1.034 349 V CA -0.812 61.383 62.300 -0.175 0.000 0.863 349 V CB 2.337 33.825 31.823 -0.558 0.000 0.999 349 V HN 0.606 nan 8.190 nan 0.000 0.423 350 E N 2.983 123.175 120.200 -0.014 0.000 2.183 350 E HA 0.463 4.814 4.350 0.000 0.000 0.271 350 E C -0.869 175.683 176.600 -0.081 0.000 0.919 350 E CA -0.611 55.758 56.400 -0.051 0.000 0.781 350 E CB 2.686 32.418 29.700 0.054 0.000 1.140 350 E HN 0.689 nan 8.360 nan 0.000 0.402 351 Q N 3.221 122.875 119.800 -0.243 0.000 2.257 351 Q HA 0.411 4.751 4.340 0.000 0.000 0.255 351 Q C -1.534 174.201 176.000 -0.441 0.000 0.920 351 Q CA -0.351 55.247 55.803 -0.341 0.000 0.927 351 Q CB 0.665 29.267 28.738 -0.227 0.000 1.229 351 Q HN 0.401 nan 8.270 nan 0.000 0.433 352 F N 1.796 121.598 119.950 -0.246 0.000 2.588 352 F HA 0.271 4.799 4.527 0.000 0.000 0.314 352 F C -0.129 175.682 175.800 0.018 0.000 1.069 352 F CA -0.794 57.151 58.000 -0.092 0.000 0.931 352 F CB 1.662 40.594 39.000 -0.112 0.000 1.260 352 F HN 0.672 nan 8.300 nan 0.000 0.465 353 D N -0.334 120.248 120.400 0.303 0.000 2.451 353 D HA 0.097 4.737 4.640 0.000 0.000 0.259 353 D C 0.189 176.585 176.300 0.160 0.000 1.201 353 D CA -0.247 53.907 54.000 0.255 0.000 1.028 353 D CB 0.340 41.264 40.800 0.207 0.000 1.095 353 D HN 0.448 nan 8.370 nan 0.000 0.539 354 Y N -1.161 119.098 120.300 -0.068 0.000 2.632 354 Y HA 0.091 4.641 4.550 0.000 0.000 0.301 354 Y C 1.137 177.111 175.900 0.125 0.000 1.172 354 Y CA 0.553 58.610 58.100 -0.073 0.000 1.328 354 Y CB 0.004 38.334 38.460 -0.217 0.000 1.016 354 Y HN 0.380 nan 8.280 nan 0.000 0.529 355 E N -1.358 118.969 120.200 0.213 0.000 2.481 355 E HA 0.246 4.597 4.350 0.000 0.000 0.198 355 E C 1.760 178.444 176.600 0.139 0.000 1.027 355 E CA 0.573 57.074 56.400 0.169 0.000 0.900 355 E CB 0.387 30.162 29.700 0.125 0.000 0.993 355 E HN 0.284 nan 8.360 nan 0.000 0.482 356 G N 1.212 110.105 108.800 0.156 0.000 2.176 356 G HA2 -0.329 3.631 3.960 0.000 0.000 0.232 356 G HA3 -0.329 3.631 3.960 0.000 0.000 0.232 356 G C 0.346 175.422 174.900 0.294 0.000 0.986 356 G CA 0.144 45.337 45.100 0.155 0.000 0.643 356 G HN 0.233 nan 8.290 nan 0.000 0.522 357 K N 1.001 121.549 120.400 0.246 0.000 2.339 357 K HA 0.383 4.703 4.320 0.000 0.000 0.286 357 K C 0.642 177.328 176.600 0.143 0.000 1.050 357 K CA -0.666 55.732 56.287 0.185 0.000 0.956 357 K CB 0.290 32.856 32.500 0.110 0.000 0.990 357 K HN 0.251 nan 8.250 nan 0.000 0.475 358 R N 4.756 125.234 120.500 -0.037 0.000 2.272 358 R HA 0.051 4.391 4.340 0.000 0.000 0.334 358 R C 0.585 176.691 176.300 -0.324 0.000 1.117 358 R CA -0.316 55.464 56.100 -0.534 0.000 0.966 358 R CB 0.289 30.304 30.300 -0.475 0.000 1.049 358 R HN 0.611 nan 8.270 nan 0.000 0.477 359 V N 5.143 124.875 119.914 -0.303 0.000 2.343 359 V HA -0.181 3.939 4.120 0.000 0.000 0.247 359 V C 0.924 176.912 176.094 -0.177 0.000 1.051 359 V CA 2.112 64.306 62.300 -0.175 0.000 1.036 359 V CB -0.884 30.843 31.823 -0.160 0.000 0.654 359 V HN 0.921 nan 8.190 nan 0.000 0.451 360 R N -0.479 119.879 120.500 -0.237 0.000 3.110 360 R HA 0.270 4.611 4.340 0.000 0.000 0.287 360 R C -1.112 175.083 176.300 -0.175 0.000 0.969 360 R CA -0.765 55.238 56.100 -0.162 0.000 0.828 360 R CB 0.911 31.160 30.300 -0.085 0.000 1.354 360 R HN 0.107 nan 8.270 nan 0.000 0.524 361 E N 1.393 121.522 120.200 -0.118 0.000 2.216 361 E HA 0.395 4.745 4.350 0.000 0.000 0.279 361 E C -0.767 175.777 176.600 -0.093 0.000 0.997 361 E CA -0.946 55.389 56.400 -0.109 0.000 0.817 361 E CB 1.816 31.468 29.700 -0.080 0.000 1.096 361 E HN 0.400 nan 8.360 nan 0.000 0.393 362 V N 3.441 123.266 119.914 -0.149 0.000 2.572 362 V HA 0.180 4.300 4.120 0.000 0.000 0.291 362 V C 0.534 176.546 176.094 -0.138 0.000 1.039 362 V CA 0.158 62.350 62.300 -0.181 0.000 1.055 362 V CB 0.886 32.414 31.823 -0.491 0.000 0.969 362 V HN 0.824 nan 8.190 nan 0.000 0.482 363 A N 7.106 129.888 122.820 -0.062 0.000 2.915 363 A HA 0.450 4.770 4.320 0.000 0.000 0.292 363 A C 0.152 177.666 177.584 -0.116 0.000 1.632 363 A CA -0.313 51.686 52.037 -0.063 0.000 1.337 363 A CB -0.755 18.235 19.000 -0.017 0.000 1.111 363 A HN 0.806 nan 8.150 nan 0.000 0.569 364 L N 1.972 123.096 121.223 -0.165 0.000 2.483 364 L HA 0.087 4.427 4.340 0.000 0.000 0.276 364 L C -1.044 175.622 176.870 -0.339 0.000 1.213 364 L CA -1.339 53.358 54.840 -0.237 0.000 0.843 364 L CB 0.369 42.347 42.059 -0.135 0.000 1.107 364 L HN 0.411 nan 8.230 nan 0.000 0.487 365 P HA -0.119 nan 4.420 nan 0.000 0.221 365 P C 0.486 177.459 177.300 -0.544 0.000 1.141 365 P CA 1.027 63.709 63.100 -0.698 0.000 0.794 365 P CB 0.216 31.272 31.700 -1.073 0.000 0.764 366 G N -2.652 105.843 108.800 -0.510 0.000 2.367 366 G HA2 0.268 4.228 3.960 0.000 0.000 0.272 366 G HA3 0.268 4.228 3.960 0.000 0.000 0.272 366 G C -2.144 172.890 174.900 0.223 0.000 1.271 366 G CA -0.836 44.220 45.100 -0.073 0.000 0.893 366 G HN -0.086 nan 8.290 nan 0.000 0.485 367 L N 1.736 123.140 121.223 0.303 0.000 2.265 367 L HA 0.770 5.110 4.340 0.000 0.000 0.288 367 L C 1.044 178.080 176.870 0.276 0.000 1.058 367 L CA 1.378 56.377 54.840 0.265 0.000 0.809 367 L CB 0.547 42.695 42.059 0.149 0.000 1.179 367 L HN 1.490 nan 8.230 nan 0.000 0.429 368 G N 1.536 110.418 108.800 0.136 0.000 2.435 368 G HA2 0.366 4.326 3.960 0.000 0.000 0.228 368 G HA3 0.366 4.326 3.960 0.000 0.000 0.228 368 G C -1.449 173.282 174.900 -0.282 0.000 1.198 368 G CA -0.461 44.481 45.100 -0.264 0.000 0.948 368 G HN 0.346 nan 8.290 nan 0.000 0.487 369 S N -0.412 114.996 115.700 -0.487 0.000 2.503 369 S HA 0.768 5.238 4.470 0.000 0.000 0.301 369 S C -0.007 174.486 174.600 -0.178 0.000 1.087 369 S CA -0.189 57.861 58.200 -0.250 0.000 1.042 369 S CB 1.559 64.630 63.200 -0.215 0.000 1.043 369 S HN 1.578 nan 8.310 nan 0.000 0.489 370 V N 0.172 120.100 119.914 0.024 0.000 3.046 370 V HA 1.042 5.162 4.120 0.000 0.000 0.316 370 V C -0.417 175.749 176.094 0.119 0.000 1.104 370 V CA -0.873 61.527 62.300 0.165 0.000 1.006 370 V CB 1.642 33.628 31.823 0.272 0.000 1.058 370 V HN 0.973 nan 8.190 nan 0.000 0.440 371 S N -0.181 115.601 115.700 0.137 0.000 2.570 371 S HA 1.014 5.484 4.470 0.000 0.000 0.270 371 S C 0.036 174.641 174.600 0.008 0.000 1.149 371 S CA 0.124 58.364 58.200 0.066 0.000 0.837 371 S CB 1.164 64.397 63.200 0.056 0.000 1.124 371 S HN 2.917 nan 8.310 nan 0.000 0.465 372 G N 0.746 109.499 108.800 -0.078 0.000 2.416 372 G HA2 0.299 4.260 3.960 0.000 0.000 0.203 372 G HA3 0.299 4.260 3.960 0.000 0.000 0.203 372 G C -0.240 174.493 174.900 -0.278 0.000 1.227 372 G CA -0.045 44.961 45.100 -0.157 0.000 1.041 372 G HN 1.838 nan 8.290 nan 0.000 0.546 373 F N -0.309 119.506 119.950 -0.225 0.000 3.018 373 F HA -0.174 4.354 4.527 0.000 0.000 0.287 373 F C 0.597 176.309 175.800 -0.147 0.000 0.813 373 F CA 1.039 58.785 58.000 -0.423 0.000 1.209 373 F CB -1.766 36.760 39.000 -0.790 0.000 1.321 373 F HN 0.621 nan 8.300 nan 0.000 0.477 374 N N -0.112 118.642 118.700 0.090 0.000 2.392 374 N HA 0.737 5.477 4.740 0.000 0.000 0.283 374 N C 0.339 175.947 175.510 0.164 0.000 1.003 374 N CA 0.014 53.170 53.050 0.178 0.000 0.892 374 N CB 1.945 40.522 38.487 0.149 0.000 1.193 374 N HN 0.381 nan 8.380 nan 0.000 0.487 375 G N 0.661 109.580 108.800 0.197 0.000 2.550 375 G HA2 0.316 4.276 3.960 0.000 0.000 0.293 375 G HA3 0.316 4.276 3.960 0.000 0.000 0.293 375 G C -1.314 173.676 174.900 0.149 0.000 1.402 375 G CA -0.701 44.503 45.100 0.173 0.000 0.784 375 G HN 0.313 nan 8.290 nan 0.000 0.482 376 K N -0.878 119.589 120.400 0.111 0.000 2.102 376 K HA 0.316 4.637 4.320 0.000 0.000 0.244 376 K C 1.082 177.754 176.600 0.119 0.000 1.021 376 K CA -0.509 55.800 56.287 0.037 0.000 0.913 376 K CB 0.967 33.477 32.500 0.018 0.000 1.062 376 K HN 0.662 nan 8.250 nan 0.000 0.485 377 H N 0.600 119.713 119.070 0.072 0.000 2.352 377 H HA -0.151 4.406 4.556 0.000 0.000 0.299 377 H C 1.049 176.394 175.328 0.028 0.000 1.097 377 H CA 1.496 57.558 56.048 0.024 0.000 1.311 377 H CB 0.214 29.956 29.762 -0.034 0.000 1.377 377 H HN 0.646 nan 8.280 nan 0.000 0.504 378 D N 0.457 120.955 120.400 0.164 0.000 2.342 378 D HA -0.037 4.603 4.640 0.000 0.000 0.221 378 D C -0.393 175.967 176.300 0.100 0.000 1.101 378 D CA -0.053 54.010 54.000 0.105 0.000 0.837 378 D CB -0.263 40.582 40.800 0.075 0.000 0.938 378 D HN 0.133 nan 8.370 nan 0.000 0.508 379 D N 2.830 123.304 120.400 0.124 0.000 2.450 379 D HA 0.017 4.657 4.640 0.000 0.000 0.247 379 D C -0.890 175.478 176.300 0.113 0.000 1.162 379 D CA -1.277 52.797 54.000 0.123 0.000 0.879 379 D CB 1.761 42.651 40.800 0.151 0.000 1.163 379 D HN 0.096 nan 8.370 nan 0.000 0.472 380 P HA -0.071 nan 4.420 nan 0.000 0.218 380 P C -0.153 177.165 177.300 0.031 0.000 1.149 380 P CA 0.819 63.955 63.100 0.060 0.000 0.817 380 P CB 0.598 32.327 31.700 0.049 0.000 0.785 381 A N -1.064 121.758 122.820 0.003 0.000 2.566 381 A HA 0.697 5.017 4.320 0.000 0.000 0.292 381 A C -1.132 176.376 177.584 -0.126 0.000 1.112 381 A CA -0.718 51.263 52.037 -0.094 0.000 0.707 381 A CB 0.864 19.733 19.000 -0.219 0.000 1.302 381 A HN -0.021 nan 8.150 nan 0.000 0.409 382 L N 0.136 121.284 121.223 -0.126 0.000 2.322 382 L HA 0.633 4.973 4.340 0.000 0.000 0.269 382 L C -1.316 175.332 176.870 -0.371 0.000 1.012 382 L CA -0.739 54.046 54.840 -0.092 0.000 0.815 382 L CB 1.697 43.841 42.059 0.142 0.000 1.295 382 L HN 0.762 nan 8.230 nan 0.000 0.438 383 Y N 1.122 121.382 120.300 -0.068 0.000 2.446 383 Y HA 0.610 5.161 4.550 0.000 0.000 0.345 383 Y C -0.318 175.437 175.900 -0.242 0.000 0.984 383 Y CA -0.720 57.283 58.100 -0.162 0.000 1.058 383 Y CB 1.969 40.316 38.460 -0.188 0.000 1.220 383 Y HN 0.373 nan 8.280 nan 0.000 0.455 384 F N -0.699 119.102 119.950 -0.249 0.000 2.631 384 F HA 0.947 5.475 4.527 0.000 0.000 0.308 384 F C -0.493 175.274 175.800 -0.054 0.000 1.097 384 F CA -1.429 56.317 58.000 -0.422 0.000 0.952 384 F CB 1.221 39.516 39.000 -1.175 0.000 1.307 384 F HN 0.585 nan 8.300 nan 0.000 0.450 385 G N 1.292 110.180 108.800 0.146 0.000 2.417 385 G HA2 0.632 4.593 3.960 0.000 0.000 0.334 385 G HA3 0.632 4.593 3.960 0.000 0.000 0.334 385 G C -2.417 172.715 174.900 0.386 0.000 1.150 385 G CA -0.810 44.386 45.100 0.160 0.000 0.923 385 G HN 0.859 nan 8.290 nan 0.000 0.485 386 F N 0.879 120.946 119.950 0.196 0.000 2.608 386 F HA 0.629 5.156 4.527 0.000 0.000 0.309 386 F C -0.567 175.307 175.800 0.124 0.000 1.103 386 F CA -0.706 57.429 58.000 0.225 0.000 0.954 386 F CB 2.063 41.279 39.000 0.360 0.000 1.267 386 F HN 0.761 nan 8.300 nan 0.000 0.444 387 E N 4.427 124.195 120.200 -0.719 0.000 2.416 387 E HA 0.484 4.834 4.350 0.000 0.000 0.280 387 E C -2.161 174.068 176.600 -0.618 0.000 1.055 387 E CA -1.050 55.090 56.400 -0.433 0.000 0.825 387 E CB 2.632 32.227 29.700 -0.174 0.000 1.312 387 E HN 0.813 nan 8.360 nan 0.000 0.452 388 N N -0.595 117.925 118.700 -0.300 0.000 3.364 388 N HA 0.119 4.860 4.740 0.000 0.000 0.294 388 N C -0.288 175.127 175.510 -0.158 0.000 1.562 388 N CA -0.815 52.041 53.050 -0.324 0.000 0.862 388 N CB 0.214 38.564 38.487 -0.228 0.000 1.691 388 N HN 0.330 nan 8.380 nan 0.000 0.572 389 Y N -0.514 119.789 120.300 0.005 0.000 2.333 389 Y HA 0.063 4.613 4.550 0.000 0.000 0.290 389 Y C 2.262 178.157 175.900 -0.007 0.000 1.144 389 Y CA 1.741 59.823 58.100 -0.029 0.000 1.228 389 Y CB -0.328 38.136 38.460 0.006 0.000 0.985 389 Y HN 0.735 nan 8.280 nan 0.000 0.542 390 A N -1.488 121.438 122.820 0.177 0.000 2.390 390 A HA 0.133 4.453 4.320 0.000 0.000 0.232 390 A C 0.657 178.330 177.584 0.149 0.000 1.233 390 A CA -0.082 52.035 52.037 0.132 0.000 0.907 390 A CB 0.314 19.402 19.000 0.147 0.000 0.967 390 A HN 0.200 nan 8.150 nan 0.000 0.512 391 Q N 1.278 121.158 119.800 0.133 0.000 2.303 391 Q HA 0.294 4.634 4.340 0.000 0.000 0.267 391 Q C -3.026 172.836 176.000 -0.230 0.000 1.011 391 Q CA -2.340 53.469 55.803 0.010 0.000 0.740 391 Q CB 2.794 31.634 28.738 0.169 0.000 1.250 391 Q HN 0.202 nan 8.270 nan 0.000 0.458 392 P HA 0.134 nan 4.420 nan 0.000 0.270 392 P C -2.608 174.469 177.300 -0.371 0.000 1.223 392 P CA -1.261 61.151 63.100 -1.147 0.000 0.785 392 P CB -0.330 30.490 31.700 -1.468 0.000 0.923 393 P HA 0.008 nan 4.420 nan 0.000 0.258 393 P C -0.453 176.807 177.300 -0.067 0.000 1.172 393 P CA 1.217 64.286 63.100 -0.052 0.000 0.762 393 P CB -0.248 31.459 31.700 0.013 0.000 0.764 394 T N 4.216 118.750 114.554 -0.032 0.000 2.876 394 T HA 0.524 4.874 4.350 0.000 0.000 0.289 394 T C -0.250 174.319 174.700 -0.217 0.000 1.014 394 T CA -0.634 61.370 62.100 -0.160 0.000 0.986 394 T CB 0.932 69.677 68.868 -0.205 0.000 1.021 394 T HN 0.113 nan 8.240 nan 0.000 0.458 395 L N 2.854 123.888 121.223 -0.316 0.000 2.307 395 L HA 0.584 4.924 4.340 0.000 0.000 0.284 395 L C -1.167 175.449 176.870 -0.423 0.000 1.023 395 L CA -0.876 53.827 54.840 -0.228 0.000 0.810 395 L CB 0.882 42.957 42.059 0.026 0.000 1.231 395 L HN 0.661 nan 8.230 nan 0.000 0.423 396 Y N 1.705 121.782 120.300 -0.372 0.000 2.524 396 Y HA 0.519 5.070 4.550 0.000 0.000 0.344 396 Y C -0.035 175.685 175.900 -0.299 0.000 1.012 396 Y CA -0.814 57.032 58.100 -0.423 0.000 1.068 396 Y CB 1.902 39.819 38.460 -0.905 0.000 1.249 396 Y HN 0.439 nan 8.280 nan 0.000 0.468 397 R N 2.334 122.856 120.500 0.036 0.000 2.346 397 R HA 0.451 4.791 4.340 0.000 0.000 0.311 397 R C -1.965 174.366 176.300 0.052 0.000 0.983 397 R CA -0.522 55.484 56.100 -0.155 0.000 0.880 397 R CB 0.639 30.858 30.300 -0.135 0.000 1.100 397 R HN 0.656 nan 8.270 nan 0.000 0.453 398 F N 3.990 123.864 119.950 -0.127 0.000 2.449 398 F HA 0.327 4.854 4.527 0.000 0.000 0.342 398 F C -0.668 175.123 175.800 -0.017 0.000 1.127 398 F CA -0.840 57.186 58.000 0.043 0.000 0.975 398 F CB 1.473 40.581 39.000 0.181 0.000 1.146 398 F HN 0.437 nan 8.300 nan 0.000 0.444 399 E N 8.158 127.976 120.200 -0.636 0.000 2.052 399 E HA 0.185 4.535 4.350 0.000 0.000 0.283 399 E C -2.018 174.049 176.600 -0.887 0.000 1.071 399 E CA -1.952 54.126 56.400 -0.536 0.000 0.851 399 E CB 1.046 30.559 29.700 -0.312 0.000 1.066 399 E HN 0.461 nan 8.360 nan 0.000 0.396 400 P HA -0.224 nan 4.420 nan 0.000 0.216 400 P C 1.078 178.159 177.300 -0.364 0.000 1.157 400 P CA 1.662 64.566 63.100 -0.327 0.000 0.880 400 P CB 0.406 32.208 31.700 0.169 0.000 0.791 401 K N -0.450 119.840 120.400 -0.183 0.000 1.980 401 K HA -0.069 4.252 4.320 0.000 0.000 0.208 401 K C 2.413 178.926 176.600 -0.145 0.000 1.043 401 K CA 2.025 58.248 56.287 -0.108 0.000 0.938 401 K CB -0.805 31.690 32.500 -0.008 0.000 0.724 401 K HN 0.184 nan 8.250 nan 0.000 0.438 402 S N -0.356 115.251 115.700 -0.154 0.000 2.428 402 S HA -0.006 4.465 4.470 0.000 0.000 0.230 402 S C 1.605 176.119 174.600 -0.144 0.000 1.014 402 S CA 0.886 59.012 58.200 -0.123 0.000 0.957 402 S CB -0.166 62.972 63.200 -0.102 0.000 0.784 402 S HN 0.539 nan 8.310 nan 0.000 0.499 403 G N 0.983 109.613 108.800 -0.283 0.000 2.159 403 G HA2 -0.101 3.860 3.960 0.000 0.000 0.256 403 G HA3 -0.101 3.860 3.960 0.000 0.000 0.256 403 G C 0.214 175.062 174.900 -0.086 0.000 0.977 403 G CA 0.071 45.047 45.100 -0.206 0.000 0.652 403 G HN 1.325 nan 8.290 nan 0.000 0.531 404 A N -0.228 122.497 122.820 -0.159 0.000 2.425 404 A HA 0.695 5.015 4.320 0.000 0.000 0.249 404 A C 0.385 177.984 177.584 0.025 0.000 1.084 404 A CA 0.268 52.278 52.037 -0.044 0.000 0.781 404 A CB 0.366 19.331 19.000 -0.058 0.000 1.019 404 A HN 0.802 nan 8.150 nan 0.000 0.490 405 I N 1.883 122.525 120.570 0.119 0.000 2.474 405 I HA 0.465 4.635 4.170 0.000 0.000 0.294 405 I C 0.228 176.428 176.117 0.139 0.000 1.005 405 I CA -0.169 61.251 61.300 0.200 0.000 1.113 405 I CB 2.271 40.409 38.000 0.230 0.000 1.289 405 I HN 0.785 nan 8.210 nan 0.000 0.436 406 S N 6.133 121.937 115.700 0.174 0.000 2.564 406 S HA 0.561 5.031 4.470 0.000 0.000 0.274 406 S C -0.876 173.872 174.600 0.247 0.000 1.124 406 S CA -0.910 57.390 58.200 0.167 0.000 0.869 406 S CB 1.873 65.127 63.200 0.091 0.000 1.105 406 S HN 0.618 nan 8.310 nan 0.000 0.472 407 L N 2.842 124.172 121.223 0.178 0.000 2.410 407 L HA 0.306 4.646 4.340 0.000 0.000 0.273 407 L C 0.204 177.071 176.870 -0.005 0.000 1.152 407 L CA -0.224 54.611 54.840 -0.009 0.000 0.855 407 L CB 0.679 42.693 42.059 -0.076 0.000 1.129 407 L HN 0.981 nan 8.230 nan 0.000 0.463 408 Y N 5.596 125.771 120.300 -0.208 0.000 2.422 408 Y HA 0.339 4.889 4.550 0.000 0.000 0.291 408 Y C 0.214 176.002 175.900 -0.186 0.000 1.144 408 Y CA 0.225 58.251 58.100 -0.124 0.000 1.208 408 Y CB 0.563 39.016 38.460 -0.012 0.000 1.195 408 Y HN 0.419 nan 8.280 nan 0.000 0.535 409 R N 0.873 121.157 120.500 -0.360 0.000 2.512 409 R HA 0.541 4.881 4.340 0.000 0.000 0.291 409 R C -0.921 175.198 176.300 -0.303 0.000 1.097 409 R CA -0.273 55.579 56.100 -0.413 0.000 0.940 409 R CB 1.307 31.354 30.300 -0.422 0.000 1.198 409 R HN 0.266 nan 8.270 nan 0.000 0.429 410 A N 1.715 124.378 122.820 -0.262 0.000 2.313 410 A HA 0.357 4.677 4.320 0.000 0.000 0.261 410 A C 0.434 177.911 177.584 -0.179 0.000 1.090 410 A CA -0.107 51.800 52.037 -0.217 0.000 0.807 410 A CB 0.684 19.580 19.000 -0.173 0.000 1.055 410 A HN 0.603 nan 8.150 nan 0.000 0.492 411 S N -0.438 115.160 115.700 -0.170 0.000 2.576 411 S HA 0.380 4.850 4.470 0.000 0.000 0.276 411 S C 1.083 175.593 174.600 -0.150 0.000 1.339 411 S CA 0.027 58.136 58.200 -0.152 0.000 1.039 411 S CB 0.795 63.852 63.200 -0.238 0.000 0.902 411 S HN 1.432 nan 8.310 nan 0.000 0.516 412 A N 3.516 126.286 122.820 -0.082 0.000 2.238 412 A HA 0.563 4.884 4.320 0.000 0.000 0.210 412 A C 1.066 178.517 177.584 -0.222 0.000 1.179 412 A CA 0.421 52.417 52.037 -0.068 0.000 0.827 412 A CB -0.772 18.269 19.000 0.068 0.000 0.856 412 A HN 1.185 nan 8.150 nan 0.000 0.488 413 A N 1.626 124.079 122.820 -0.611 0.000 2.540 413 A HA 0.418 4.738 4.320 0.000 0.000 0.239 413 A C -1.681 175.656 177.584 -0.411 0.000 1.061 413 A CA -0.631 50.830 52.037 -0.960 0.000 0.758 413 A CB -0.217 18.122 19.000 -1.101 0.000 0.991 413 A HN 0.271 nan 8.150 nan 0.000 0.502 414 P HA 0.256 nan 4.420 nan 0.000 0.225 414 P C -1.198 175.574 177.300 -0.880 0.000 1.768 414 P CA 0.498 63.277 63.100 -0.534 0.000 0.943 414 P CB -0.759 30.642 31.700 -0.499 0.000 1.936 415 F N 0.007 119.924 119.950 -0.056 0.000 2.607 415 F HA 0.322 4.849 4.527 0.000 0.000 0.322 415 F C 0.536 176.395 175.800 0.098 0.000 1.176 415 F CA -0.929 57.124 58.000 0.089 0.000 0.977 415 F CB 2.131 41.171 39.000 0.067 0.000 1.242 415 F HN -0.280 nan 8.300 nan 0.000 0.465 416 K N 4.890 125.469 120.400 0.299 0.000 2.292 416 K HA 0.200 4.520 4.320 0.000 0.000 0.290 416 K C -1.964 174.765 176.600 0.216 0.000 1.083 416 K CA -1.381 54.993 56.287 0.145 0.000 0.918 416 K CB 0.878 33.396 32.500 0.030 0.000 1.089 416 K HN 0.223 nan 8.250 nan 0.000 0.473 417 P HA -0.302 nan 4.420 nan 0.000 0.216 417 P C 1.088 178.476 177.300 0.147 0.000 1.154 417 P CA 1.332 64.552 63.100 0.201 0.000 0.865 417 P CB 0.187 31.943 31.700 0.092 0.000 0.789 418 E N -0.401 119.830 120.200 0.052 0.000 2.265 418 E HA -0.212 4.138 4.350 0.000 0.000 0.196 418 E C 0.873 177.434 176.600 -0.064 0.000 0.996 418 E CA 1.339 57.743 56.400 0.007 0.000 0.832 418 E CB -1.133 28.562 29.700 -0.008 0.000 0.756 418 E HN 0.324 nan 8.360 nan 0.000 0.491 419 D N -0.210 120.068 120.400 -0.203 0.000 2.347 419 D HA 0.011 4.651 4.640 0.000 0.000 0.213 419 D C -0.166 175.788 176.300 -0.575 0.000 0.985 419 D CA 0.505 54.239 54.000 -0.443 0.000 0.879 419 D CB -0.008 40.388 40.800 -0.673 0.000 0.919 419 D HN 0.242 nan 8.370 nan 0.000 0.526 420 Y N -0.362 119.971 120.300 0.055 0.000 2.509 420 Y HA 0.500 5.050 4.550 0.000 0.000 0.341 420 Y C 0.219 176.114 175.900 -0.007 0.000 1.038 420 Y CA -1.081 57.038 58.100 0.031 0.000 1.089 420 Y CB 1.837 40.321 38.460 0.040 0.000 1.241 420 Y HN -0.413 nan 8.280 nan 0.000 0.468 421 V N 1.071 121.011 119.914 0.043 0.000 2.876 421 V HA 0.635 4.756 4.120 0.000 0.000 0.312 421 V C -0.783 175.144 176.094 -0.279 0.000 1.085 421 V CA -0.870 61.367 62.300 -0.105 0.000 0.945 421 V CB 2.214 33.966 31.823 -0.119 0.000 1.017 421 V HN 0.796 nan 8.190 nan 0.000 0.428 422 S N 2.642 118.269 115.700 -0.122 0.000 2.594 422 S HA 0.615 5.085 4.470 0.000 0.000 0.296 422 S C -0.921 173.672 174.600 -0.012 0.000 1.124 422 S CA -0.784 57.372 58.200 -0.074 0.000 1.011 422 S CB 1.527 64.770 63.200 0.071 0.000 1.016 422 S HN 0.933 nan 8.310 nan 0.000 0.485 423 E N 1.757 121.959 120.200 0.004 0.000 2.293 423 E HA 0.535 4.885 4.350 0.000 0.000 0.270 423 E C -1.011 175.626 176.600 0.061 0.000 0.879 423 E CA -1.015 55.434 56.400 0.081 0.000 0.756 423 E CB 1.423 31.228 29.700 0.175 0.000 1.208 423 E HN 0.447 nan 8.360 nan 0.000 0.428 424 Q N 2.251 122.076 119.800 0.041 0.000 2.230 424 Q HA 0.369 4.710 4.340 0.000 0.000 0.253 424 Q C -0.928 175.008 176.000 -0.107 0.000 0.919 424 Q CA -0.615 55.145 55.803 -0.072 0.000 0.908 424 Q CB 0.970 29.646 28.738 -0.104 0.000 1.245 424 Q HN 0.426 nan 8.270 nan 0.000 0.437 425 R N 2.619 122.962 120.500 -0.262 0.000 2.808 425 R HA 0.516 4.856 4.340 0.000 0.000 0.272 425 R C -1.472 174.510 176.300 -0.531 0.000 0.995 425 R CA -0.632 55.362 56.100 -0.175 0.000 0.917 425 R CB 1.252 31.625 30.300 0.123 0.000 1.217 425 R HN 0.626 nan 8.270 nan 0.000 0.471 426 F N 1.569 121.514 119.950 -0.008 0.000 2.540 426 F HA 0.477 5.004 4.527 0.000 0.000 0.317 426 F C -0.194 175.498 175.800 -0.179 0.000 1.104 426 F CA -0.840 57.112 58.000 -0.080 0.000 0.913 426 F CB 1.474 40.449 39.000 -0.042 0.000 1.170 426 F HN 0.401 nan 8.300 nan 0.000 0.450 427 Y N -0.568 119.644 120.300 -0.146 0.000 2.545 427 Y HA 0.677 5.227 4.550 0.000 0.000 0.348 427 Y C -1.158 174.742 175.900 0.001 0.000 1.002 427 Y CA -1.430 56.535 58.100 -0.226 0.000 1.039 427 Y CB 1.173 39.311 38.460 -0.536 0.000 1.271 427 Y HN 0.545 nan 8.280 nan 0.000 0.467 428 Q N 2.585 122.464 119.800 0.132 0.000 2.256 428 Q HA 0.439 4.780 4.340 0.000 0.000 0.254 428 Q C -0.106 175.999 176.000 0.176 0.000 0.916 428 Q CA -0.690 55.157 55.803 0.074 0.000 0.932 428 Q CB 1.821 30.614 28.738 0.092 0.000 1.207 428 Q HN 0.975 nan 8.270 nan 0.000 0.426 429 S N 1.680 117.437 115.700 0.095 0.000 2.552 429 S HA 0.189 4.660 4.470 0.000 0.000 0.271 429 S C 1.028 175.694 174.600 0.110 0.000 1.168 429 S CA -0.591 57.703 58.200 0.157 0.000 1.026 429 S CB 0.804 64.065 63.200 0.102 0.000 1.120 429 S HN 0.713 nan 8.310 nan 0.000 0.514 430 K N 1.136 121.592 120.400 0.094 0.000 1.978 430 K HA -0.185 4.136 4.320 0.000 0.000 0.214 430 K C 1.438 178.066 176.600 0.045 0.000 1.049 430 K CA 2.055 58.384 56.287 0.069 0.000 0.939 430 K CB -0.748 31.789 32.500 0.061 0.000 0.721 430 K HN 0.828 nan 8.250 nan 0.000 0.441 431 D N -1.445 118.970 120.400 0.025 0.000 2.358 431 D HA -0.019 4.622 4.640 0.000 0.000 0.241 431 D C 1.023 177.328 176.300 0.008 0.000 1.094 431 D CA 1.006 55.012 54.000 0.010 0.000 0.907 431 D CB 0.319 41.113 40.800 -0.010 0.000 0.893 431 D HN 0.615 nan 8.370 nan 0.000 0.528 432 G N 0.154 108.966 108.800 0.020 0.000 2.241 432 G HA2 -0.282 3.679 3.960 0.000 0.000 0.244 432 G HA3 -0.282 3.679 3.960 0.000 0.000 0.244 432 G C 0.542 175.442 174.900 -0.001 0.000 0.998 432 G CA 0.209 45.318 45.100 0.016 0.000 0.621 432 G HN 0.441 nan 8.290 nan 0.000 0.519 433 T N 1.758 116.306 114.554 -0.010 0.000 2.905 433 T HA 0.283 4.633 4.350 0.000 0.000 0.299 433 T C 0.750 175.432 174.700 -0.031 0.000 1.024 433 T CA 0.667 62.758 62.100 -0.015 0.000 1.151 433 T CB 0.941 69.795 68.868 -0.023 0.000 0.987 433 T HN 0.629 nan 8.240 nan 0.000 0.535 434 R N 2.069 122.543 120.500 -0.043 0.000 2.441 434 R HA 0.493 4.833 4.340 0.000 0.000 0.284 434 R C -1.292 174.974 176.300 -0.058 0.000 1.070 434 R CA -0.413 55.636 56.100 -0.084 0.000 1.047 434 R CB 0.487 30.716 30.300 -0.118 0.000 1.016 434 R HN 0.451 nan 8.270 nan 0.000 0.477 435 V N 6.105 125.898 119.914 -0.202 0.000 2.686 435 V HA 0.374 4.495 4.120 0.000 0.000 0.306 435 V C -2.381 173.642 176.094 -0.117 0.000 1.065 435 V CA -2.068 60.133 62.300 -0.165 0.000 0.894 435 V CB 2.066 33.599 31.823 -0.484 0.000 1.004 435 V HN 0.849 nan 8.190 nan 0.000 0.424 436 P HA 0.541 nan 4.420 nan 0.000 0.274 436 P C -1.210 176.099 177.300 0.016 0.000 1.237 436 P CA -0.385 62.700 63.100 -0.025 0.000 0.793 436 P CB 0.821 32.575 31.700 0.089 0.000 0.977 437 L N 2.117 123.274 121.223 -0.109 0.000 2.676 437 L HA 0.441 4.781 4.340 0.000 0.000 0.262 437 L C -1.667 175.168 176.870 -0.059 0.000 0.932 437 L CA -0.070 54.784 54.840 0.024 0.000 0.932 437 L CB 1.004 43.138 42.059 0.124 0.000 1.355 437 L HN 0.209 nan 8.230 nan 0.000 0.421 438 I N 5.882 126.449 120.570 -0.006 0.000 2.336 438 I HA 0.478 4.649 4.170 0.000 0.000 0.292 438 I C -0.500 175.599 176.117 -0.030 0.000 0.991 438 I CA -0.508 60.803 61.300 0.018 0.000 1.227 438 I CB 1.489 39.582 38.000 0.154 0.000 1.366 438 I HN 0.465 nan 8.210 nan 0.000 0.466 439 I N 5.152 125.704 120.570 -0.029 0.000 2.406 439 I HA 0.370 4.540 4.170 0.000 0.000 0.290 439 I C -0.344 175.745 176.117 -0.048 0.000 0.999 439 I CA -0.196 61.068 61.300 -0.060 0.000 1.124 439 I CB 1.801 39.702 38.000 -0.165 0.000 1.289 439 I HN 0.486 nan 8.210 nan 0.000 0.441 440 S N 5.261 120.951 115.700 -0.016 0.000 2.536 440 S HA 0.853 5.323 4.470 0.000 0.000 0.298 440 S C -1.241 173.362 174.600 0.005 0.000 1.083 440 S CA -0.644 57.481 58.200 -0.124 0.000 0.995 440 S CB 1.856 65.081 63.200 0.041 0.000 1.058 440 S HN 0.572 nan 8.310 nan 0.000 0.488 441 Y N -1.217 119.179 120.300 0.160 0.000 2.702 441 Y HA 0.561 5.112 4.550 0.000 0.000 0.336 441 Y C -0.745 175.270 175.900 0.192 0.000 1.203 441 Y CA -1.453 56.736 58.100 0.148 0.000 1.072 441 Y CB 0.461 38.993 38.460 0.120 0.000 1.327 441 Y HN 0.537 nan 8.280 nan 0.000 0.456 442 R N 1.965 122.699 120.500 0.390 0.000 2.623 442 R HA 0.143 4.483 4.340 0.000 0.000 0.271 442 R C -0.150 176.310 176.300 0.267 0.000 1.043 442 R CA -0.445 55.803 56.100 0.247 0.000 1.083 442 R CB 0.616 30.985 30.300 0.116 0.000 0.974 442 R HN 0.807 nan 8.270 nan 0.000 0.436 443 K N 1.809 122.274 120.400 0.109 0.000 2.416 443 K HA 0.065 4.385 4.320 0.000 0.000 0.283 443 K C 0.340 176.995 176.600 0.092 0.000 1.037 443 K CA 1.048 57.420 56.287 0.141 0.000 0.995 443 K CB 0.495 33.023 32.500 0.048 0.000 0.938 443 K HN 0.805 nan 8.250 nan 0.000 0.475 444 G N 3.510 112.378 108.800 0.112 0.000 2.205 444 G HA2 -0.199 3.761 3.960 0.000 0.000 0.180 444 G HA3 -0.199 3.761 3.960 0.000 0.000 0.180 444 G C -0.132 174.771 174.900 0.005 0.000 1.004 444 G CA -0.131 44.993 45.100 0.040 0.000 0.670 444 G HN 0.633 nan 8.290 nan 0.000 0.496 445 L N 1.191 122.411 121.223 -0.005 0.000 2.483 445 L HA 0.587 4.927 4.340 0.000 0.000 0.276 445 L C 0.243 177.028 176.870 -0.142 0.000 1.213 445 L CA -0.036 54.734 54.840 -0.115 0.000 0.843 445 L CB 0.395 42.274 42.059 -0.301 0.000 1.107 445 L HN 0.118 nan 8.230 nan 0.000 0.487 446 K N 5.417 125.738 120.400 -0.131 0.000 2.182 446 K HA 0.344 4.664 4.320 0.000 0.000 0.262 446 K C -0.497 176.001 176.600 -0.170 0.000 0.957 446 K CA -0.643 55.568 56.287 -0.127 0.000 0.842 446 K CB 1.742 34.191 32.500 -0.086 0.000 1.099 446 K HN 0.604 nan 8.250 nan 0.000 0.438 447 L N 3.613 124.714 121.223 -0.205 0.000 2.821 447 L HA -0.003 4.337 4.340 0.000 0.000 0.239 447 L C 0.368 177.127 176.870 -0.185 0.000 1.391 447 L CA 0.075 54.752 54.840 -0.272 0.000 1.231 447 L CB -0.898 40.952 42.059 -0.350 0.000 1.598 447 L HN 0.677 nan 8.230 nan 0.000 0.428 448 D N -1.459 118.862 120.400 -0.132 0.000 2.339 448 D HA 0.051 4.691 4.640 0.000 0.000 0.217 448 D C 1.516 177.770 176.300 -0.077 0.000 1.050 448 D CA 0.500 54.445 54.000 -0.092 0.000 0.856 448 D CB 0.313 41.073 40.800 -0.068 0.000 0.922 448 D HN 0.242 nan 8.370 nan 0.000 0.518 449 G N 0.204 108.955 108.800 -0.083 0.000 2.155 449 G HA2 -0.345 3.615 3.960 0.000 0.000 0.257 449 G HA3 -0.345 3.615 3.960 0.000 0.000 0.257 449 G C 1.038 175.927 174.900 -0.019 0.000 0.983 449 G CA 0.798 45.868 45.100 -0.050 0.000 0.676 449 G HN 0.747 nan 8.290 nan 0.000 0.528 450 S N -0.823 114.867 115.700 -0.016 0.000 2.523 450 S HA 0.225 4.696 4.470 0.000 0.000 0.217 450 S C 0.576 175.199 174.600 0.039 0.000 0.996 450 S CA 0.005 58.209 58.200 0.007 0.000 0.921 450 S CB 0.257 63.455 63.200 -0.003 0.000 0.829 450 S HN 0.369 nan 8.310 nan 0.000 0.495 451 N N 4.900 123.618 118.700 0.030 0.000 2.468 451 N HA 0.200 4.941 4.740 0.000 0.000 0.265 451 N C -2.820 172.743 175.510 0.089 0.000 1.199 451 N CA -0.825 52.248 53.050 0.039 0.000 0.928 451 N CB 0.554 39.057 38.487 0.026 0.000 1.059 451 N HN 0.354 nan 8.380 nan 0.000 0.467 452 P HA 0.067 nan 4.420 nan 0.000 0.271 452 P C -0.566 176.905 177.300 0.284 0.000 1.226 452 P CA 0.144 63.356 63.100 0.187 0.000 0.765 452 P CB 0.631 32.394 31.700 0.105 0.000 0.835 453 T N 4.341 119.100 114.554 0.341 0.000 2.893 453 T HA 0.561 4.911 4.350 0.000 0.000 0.291 453 T C 0.039 174.921 174.700 0.304 0.000 1.028 453 T CA -0.416 61.900 62.100 0.360 0.000 0.995 453 T CB 1.049 70.030 68.868 0.188 0.000 1.051 453 T HN 0.235 nan 8.240 nan 0.000 0.470 454 I N 3.048 123.773 120.570 0.257 0.000 2.406 454 I HA 0.420 4.590 4.170 0.000 0.000 0.290 454 I C -1.057 175.037 176.117 -0.037 0.000 0.999 454 I CA -0.978 60.349 61.300 0.046 0.000 1.124 454 I CB 1.751 39.666 38.000 -0.142 0.000 1.289 454 I HN 0.316 nan 8.210 nan 0.000 0.441 455 L N 8.467 129.664 121.223 -0.042 0.000 2.287 455 L HA 0.453 4.794 4.340 0.000 0.000 0.287 455 L C -1.428 175.506 176.870 0.108 0.000 1.022 455 L CA -0.165 54.624 54.840 -0.086 0.000 0.814 455 L CB 0.879 42.802 42.059 -0.228 0.000 1.217 455 L HN 0.425 nan 8.230 nan 0.000 0.420 456 Y N 4.196 124.438 120.300 -0.096 0.000 2.409 456 Y HA 0.825 5.375 4.550 0.000 0.000 0.339 456 Y C 0.159 176.155 175.900 0.161 0.000 1.033 456 Y CA -0.005 58.109 58.100 0.024 0.000 1.094 456 Y CB 1.945 40.284 38.460 -0.202 0.000 1.210 456 Y HN 0.757 nan 8.280 nan 0.000 0.456 457 G N 3.111 111.611 108.800 -0.501 0.000 2.660 457 G HA2 0.316 4.277 3.960 0.000 0.000 0.290 457 G HA3 0.316 4.277 3.960 0.000 0.000 0.290 457 G C -2.021 172.541 174.900 -0.563 0.000 1.432 457 G CA -0.389 44.441 45.100 -0.450 0.000 0.807 457 G HN 0.605 nan 8.290 nan 0.000 0.485 458 Y N 0.071 120.131 120.300 -0.400 0.000 3.284 458 Y HA 0.469 5.020 4.550 0.000 0.000 0.165 458 Y C 1.396 177.184 175.900 -0.186 0.000 0.881 458 Y CA 1.518 59.451 58.100 -0.279 0.000 1.837 458 Y CB 0.453 38.840 38.460 -0.123 0.000 1.398 458 Y HN 1.729 nan 8.280 nan 0.000 0.336 459 G N 1.265 110.078 108.800 0.021 0.000 2.540 459 G HA2 0.376 4.336 3.960 0.000 0.000 0.260 459 G HA3 0.376 4.336 3.960 0.000 0.000 0.260 459 G C 0.038 174.839 174.900 -0.164 0.000 0.993 459 G CA 0.548 45.610 45.100 -0.063 0.000 1.327 459 G HN 1.474 nan 8.290 nan 0.000 0.485 460 G N -0.152 108.634 108.800 -0.022 0.000 2.350 460 G HA2 0.588 4.548 3.960 0.000 0.000 0.304 460 G HA3 0.588 4.548 3.960 0.000 0.000 0.304 460 G C -0.019 174.950 174.900 0.115 0.000 1.421 460 G CA 0.066 45.113 45.100 -0.090 0.000 0.934 460 G HN 1.672 nan 8.290 nan 0.000 0.632 461 F N -0.508 119.326 119.950 -0.194 0.000 3.093 461 F HA -0.228 4.299 4.527 0.000 0.000 0.287 461 F C 1.254 176.811 175.800 -0.404 0.000 0.882 461 F CA 1.978 59.865 58.000 -0.187 0.000 1.063 461 F CB -1.382 37.614 39.000 -0.006 0.000 1.097 461 F HN 1.223 nan 8.300 nan 0.000 0.604 462 D N -1.029 118.894 120.400 -0.795 0.000 3.039 462 D HA -0.208 4.433 4.640 0.000 0.000 0.222 462 D C -0.126 176.147 176.300 -0.044 0.000 1.179 462 D CA 1.148 54.904 54.000 -0.407 0.000 0.880 462 D CB -0.634 40.022 40.800 -0.242 0.000 1.115 462 D HN 0.240 nan 8.370 nan 0.000 0.416 463 V N 1.295 121.246 119.914 0.061 0.000 2.389 463 V HA 0.350 4.470 4.120 0.000 0.000 0.264 463 V C 0.777 176.931 176.094 0.100 0.000 1.049 463 V CA 0.200 62.551 62.300 0.085 0.000 0.932 463 V CB 1.166 33.054 31.823 0.109 0.000 1.011 463 V HN 0.381 nan 8.190 nan 0.000 0.475 464 S N 6.168 121.895 115.700 0.045 0.000 2.578 464 S HA 0.689 5.159 4.470 0.000 0.000 0.283 464 S C -0.577 174.040 174.600 0.028 0.000 1.195 464 S CA -0.847 57.381 58.200 0.047 0.000 1.050 464 S CB 1.258 64.451 63.200 -0.012 0.000 1.012 464 S HN 0.481 nan 8.310 nan 0.000 0.511 465 L N 3.610 124.875 121.223 0.070 0.000 2.282 465 L HA 0.334 4.674 4.340 0.000 0.000 0.287 465 L C 0.560 177.472 176.870 0.071 0.000 1.075 465 L CA -0.506 54.392 54.840 0.096 0.000 0.839 465 L CB 0.310 42.487 42.059 0.197 0.000 1.219 465 L HN 0.881 nan 8.230 nan 0.000 0.434 466 T N 0.685 115.244 114.554 0.008 0.000 2.907 466 T HA 0.495 4.845 4.350 0.000 0.000 0.284 466 T C -2.478 172.133 174.700 -0.148 0.000 1.004 466 T CA -2.206 59.860 62.100 -0.057 0.000 1.063 466 T CB 1.272 70.092 68.868 -0.080 0.000 0.992 466 T HN 0.168 nan 8.240 nan 0.000 0.483 467 P HA 0.296 nan 4.420 nan 0.000 0.267 467 P C -0.633 176.292 177.300 -0.625 0.000 1.205 467 P CA -0.125 62.502 63.100 -0.788 0.000 0.765 467 P CB 0.465 31.803 31.700 -0.604 0.000 0.828 468 S N 2.785 118.053 115.700 -0.721 0.000 2.536 468 S HA 0.539 5.009 4.470 0.000 0.000 0.271 468 S C -0.975 173.486 174.600 -0.231 0.000 1.134 468 S CA -0.886 57.116 58.200 -0.329 0.000 0.897 468 S CB 0.702 63.794 63.200 -0.181 0.000 1.094 468 S HN 0.189 nan 8.310 nan 0.000 0.473 469 F N 3.120 122.929 119.950 -0.235 0.000 2.504 469 F HA 0.582 5.109 4.527 0.000 0.000 0.369 469 F C 0.405 176.098 175.800 -0.178 0.000 1.082 469 F CA 0.339 58.225 58.000 -0.191 0.000 1.216 469 F CB 0.942 39.844 39.000 -0.164 0.000 1.108 469 F HN 0.764 nan 8.300 nan 0.000 0.554 470 S N 5.162 120.213 115.700 -1.081 0.000 2.561 470 S HA 0.437 4.907 4.470 0.000 0.000 0.303 470 S C 0.434 174.306 174.600 -1.213 0.000 1.110 470 S CA -0.828 56.849 58.200 -0.871 0.000 1.034 470 S CB 1.412 64.282 63.200 -0.550 0.000 1.010 470 S HN 0.535 nan 8.310 nan 0.000 0.482 471 V N 4.647 124.032 119.914 -0.881 0.000 2.343 471 V HA -0.086 4.034 4.120 0.000 0.000 0.247 471 V C 2.722 178.538 176.094 -0.464 0.000 1.051 471 V CA 2.307 64.216 62.300 -0.652 0.000 1.036 471 V CB -0.960 30.591 31.823 -0.453 0.000 0.654 471 V HN 0.938 nan 8.190 nan 0.000 0.451 472 S N -0.241 115.236 115.700 -0.372 0.000 2.353 472 S HA -0.202 4.268 4.470 0.000 0.000 0.222 472 S C 2.017 176.574 174.600 -0.071 0.000 1.035 472 S CA 2.110 60.307 58.200 -0.005 0.000 1.025 472 S CB -0.267 62.969 63.200 0.060 0.000 0.902 472 S HN 0.320 nan 8.310 nan 0.000 0.440 473 V N 2.127 121.817 119.914 -0.374 0.000 2.343 473 V HA -0.151 3.969 4.120 0.000 0.000 0.247 473 V C 2.845 178.675 176.094 -0.440 0.000 1.051 473 V CA 1.815 63.807 62.300 -0.513 0.000 1.036 473 V CB -1.360 29.958 31.823 -0.842 0.000 0.654 473 V HN 0.630 nan 8.190 nan 0.000 0.451 474 A N -0.106 122.310 122.820 -0.673 0.000 1.940 474 A HA -0.256 4.064 4.320 0.000 0.000 0.219 474 A C 2.110 179.445 177.584 -0.415 0.000 1.176 474 A CA 2.055 53.600 52.037 -0.820 0.000 0.631 474 A CB -0.709 17.326 19.000 -1.609 0.000 0.814 474 A HN 0.643 nan 8.150 nan 0.000 0.446 475 N N -1.215 117.365 118.700 -0.199 0.000 2.166 475 N HA -0.177 4.564 4.740 0.000 0.000 0.186 475 N C 1.702 177.191 175.510 -0.035 0.000 1.019 475 N CA 1.390 54.476 53.050 0.060 0.000 0.856 475 N CB -0.281 38.327 38.487 0.201 0.000 0.993 475 N HN 0.850 nan 8.380 nan 0.000 0.426 476 W N 2.511 123.569 121.300 -0.404 0.000 2.358 476 W HA -0.126 4.534 4.660 0.000 0.000 0.303 476 W C 1.582 177.946 176.519 -0.258 0.000 1.208 476 W CA 0.752 57.766 57.345 -0.553 0.000 1.274 476 W CB -0.132 28.906 29.460 -0.703 0.000 1.138 476 W HN 0.026 nan 8.180 nan 0.000 0.515 477 L N 0.421 121.552 121.223 -0.153 0.000 2.083 477 L HA -0.220 4.120 4.340 0.000 0.000 0.209 477 L C 1.936 178.777 176.870 -0.048 0.000 1.083 477 L CA 1.431 56.209 54.840 -0.103 0.000 0.752 477 L CB -1.149 40.932 42.059 0.038 0.000 0.899 477 L HN -0.192 nan 8.230 nan 0.000 0.433 478 D N 0.234 120.648 120.400 0.024 0.000 2.350 478 D HA -0.049 4.591 4.640 0.000 0.000 0.216 478 D C 2.088 178.340 176.300 -0.079 0.000 0.968 478 D CA 0.877 54.923 54.000 0.078 0.000 0.894 478 D CB 0.093 41.012 40.800 0.199 0.000 0.909 478 D HN 0.325 nan 8.370 nan 0.000 0.520 479 L N -1.050 120.028 121.223 -0.241 0.000 2.592 479 L HA 0.215 4.556 4.340 0.000 0.000 0.227 479 L C 1.445 178.044 176.870 -0.453 0.000 1.127 479 L CA 0.330 54.956 54.840 -0.357 0.000 0.884 479 L CB 0.074 41.841 42.059 -0.486 0.000 1.065 479 L HN 0.090 nan 8.230 nan 0.000 0.457 480 G N -0.058 108.515 108.800 -0.379 0.000 2.157 480 G HA2 -0.204 3.756 3.960 0.000 0.000 0.239 480 G HA3 -0.204 3.756 3.960 0.000 0.000 0.239 480 G C 0.508 175.151 174.900 -0.428 0.000 0.982 480 G CA -0.214 44.695 45.100 -0.317 0.000 0.650 480 G HN 0.494 nan 8.290 nan 0.000 0.527 481 G N -1.136 107.185 108.800 -0.798 0.000 2.537 481 G HA2 0.631 4.591 3.960 0.000 0.000 0.273 481 G HA3 0.631 4.591 3.960 0.000 0.000 0.273 481 G C -0.257 174.482 174.900 -0.267 0.000 1.189 481 G CA 0.062 44.572 45.100 -0.984 0.000 0.881 481 G HN 0.928 nan 8.290 nan 0.000 0.535 482 V N 0.613 120.635 119.914 0.181 0.000 2.555 482 V HA 0.358 4.478 4.120 0.000 0.000 0.302 482 V C -1.216 175.195 176.094 0.528 0.000 1.038 482 V CA -0.696 61.809 62.300 0.343 0.000 0.887 482 V CB 1.518 33.493 31.823 0.253 0.000 0.991 482 V HN 0.642 nan 8.190 nan 0.000 0.434 483 Y N 3.875 124.312 120.300 0.229 0.000 2.328 483 Y HA 0.740 5.290 4.550 0.000 0.000 0.336 483 Y C 0.056 175.925 175.900 -0.052 0.000 0.960 483 Y CA -0.873 57.269 58.100 0.069 0.000 1.134 483 Y CB 1.475 39.911 38.460 -0.041 0.000 1.166 483 Y HN 0.693 nan 8.280 nan 0.000 0.464 484 A N 5.829 128.379 122.820 -0.451 0.000 2.304 484 A HA 0.754 5.075 4.320 0.000 0.000 0.314 484 A C -1.723 175.590 177.584 -0.451 0.000 1.187 484 A CA -0.636 51.186 52.037 -0.359 0.000 0.810 484 A CB 0.776 19.658 19.000 -0.196 0.000 1.183 484 A HN 0.505 nan 8.150 nan 0.000 0.487 485 V N 1.985 121.704 119.914 -0.325 0.000 2.417 485 V HA 0.696 4.816 4.120 0.000 0.000 0.291 485 V C 0.453 176.587 176.094 0.068 0.000 1.024 485 V CA -0.324 61.902 62.300 -0.123 0.000 0.861 485 V CB 1.385 33.139 31.823 -0.114 0.000 0.985 485 V HN 1.156 nan 8.190 nan 0.000 0.436 486 A N 3.974 126.903 122.820 0.180 0.000 2.317 486 A HA 0.624 4.944 4.320 0.000 0.000 0.327 486 A C 0.038 177.782 177.584 0.268 0.000 1.178 486 A CA -0.702 51.495 52.037 0.268 0.000 0.817 486 A CB 0.528 19.762 19.000 0.391 0.000 1.189 486 A HN 0.758 nan 8.150 nan 0.000 0.489 487 N N 3.174 122.038 118.700 0.274 0.000 3.083 487 N HA 0.222 4.963 4.740 0.000 0.000 0.260 487 N C -0.322 175.467 175.510 0.466 0.000 1.163 487 N CA 0.089 53.312 53.050 0.289 0.000 1.060 487 N CB 0.385 38.978 38.487 0.176 0.000 1.345 487 N HN 0.593 nan 8.380 nan 0.000 0.515 488 L N 0.743 122.193 121.223 0.378 0.000 2.476 488 L HA 0.202 4.542 4.340 0.000 0.000 0.264 488 L C 1.446 178.495 176.870 0.297 0.000 1.224 488 L CA -0.266 54.757 54.840 0.304 0.000 0.821 488 L CB 0.512 42.631 42.059 0.100 0.000 1.101 488 L HN 0.157 nan 8.230 nan 0.000 0.488 489 R N 0.077 120.426 120.500 -0.252 0.000 2.738 489 R HA 0.267 4.607 4.340 0.000 0.000 0.268 489 R C 0.988 177.018 176.300 -0.451 0.000 1.062 489 R CA 0.782 56.273 56.100 -1.015 0.000 1.158 489 R CB 0.284 29.884 30.300 -1.167 0.000 1.046 489 R HN 0.936 nan 8.270 nan 0.000 0.493 490 G N 0.033 108.593 108.800 -0.400 0.000 2.254 490 G HA2 -0.218 3.742 3.960 0.000 0.000 0.225 490 G HA3 -0.218 3.742 3.960 0.000 0.000 0.225 490 G C 0.424 175.324 174.900 0.000 0.000 1.003 490 G CA -0.228 44.795 45.100 -0.127 0.000 0.622 490 G HN 0.879 nan 8.290 nan 0.000 0.507 491 G N -0.562 108.345 108.800 0.178 0.000 2.532 491 G HA2 0.600 4.560 3.960 0.000 0.000 0.291 491 G HA3 0.600 4.560 3.960 0.000 0.000 0.291 491 G C 0.809 175.918 174.900 0.348 0.000 1.349 491 G CA 0.102 45.357 45.100 0.258 0.000 1.038 491 G HN 1.318 nan 8.290 nan 0.000 0.518 492 G N -1.238 107.674 108.800 0.186 0.000 4.098 492 G HA2 0.389 4.349 3.960 0.000 0.000 0.300 492 G HA3 0.389 4.349 3.960 0.000 0.000 0.300 492 G C 0.468 175.362 174.900 -0.010 0.000 1.187 492 G CA -0.089 45.087 45.100 0.127 0.000 0.964 492 G HN 0.488 nan 8.290 nan 0.000 0.559 493 E N -0.356 119.751 120.200 -0.156 0.000 2.318 493 E HA 0.099 4.449 4.350 0.000 0.000 0.193 493 E C 0.046 176.131 176.600 -0.858 0.000 0.998 493 E CA 0.584 56.674 56.400 -0.517 0.000 0.859 493 E CB 0.181 29.502 29.700 -0.632 0.000 0.812 493 E HN 0.517 nan 8.360 nan 0.000 0.492 494 Y N -0.337 119.668 120.300 -0.492 0.000 2.696 494 Y HA 0.442 4.993 4.550 0.000 0.000 0.255 494 Y C 0.473 176.370 175.900 -0.005 0.000 1.103 494 Y CA -0.127 57.772 58.100 -0.334 0.000 1.126 494 Y CB 1.124 39.192 38.460 -0.653 0.000 1.197 494 Y HN 0.039 nan 8.280 nan 0.000 0.574 495 G N 0.090 108.982 108.800 0.153 0.000 2.707 495 G HA2 -0.227 3.733 3.960 0.000 0.000 0.686 495 G HA3 -0.227 3.733 3.960 0.000 0.000 0.686 495 G C 0.436 175.489 174.900 0.255 0.000 1.315 495 G CA -0.301 44.909 45.100 0.183 0.000 0.832 495 G HN 0.053 nan 8.290 nan 0.000 0.573 496 Q N -0.095 119.826 119.800 0.202 0.000 2.118 496 Q HA -0.248 4.092 4.340 0.000 0.000 0.211 496 Q C 3.126 179.253 176.000 0.212 0.000 0.998 496 Q CA 3.488 59.419 55.803 0.212 0.000 0.872 496 Q CB -0.809 28.017 28.738 0.146 0.000 0.925 496 Q HN 1.452 nan 8.270 nan 0.000 0.414 497 A N 0.142 123.072 122.820 0.183 0.000 1.940 497 A HA -0.193 4.127 4.320 0.000 0.000 0.219 497 A C 1.877 179.573 177.584 0.187 0.000 1.176 497 A CA 1.325 53.448 52.037 0.143 0.000 0.631 497 A CB -1.318 17.758 19.000 0.126 0.000 0.814 497 A HN 0.728 nan 8.150 nan 0.000 0.446 498 W N 0.042 121.400 121.300 0.096 0.000 2.425 498 W HA -0.179 4.482 4.660 0.000 0.000 0.277 498 W C 1.929 178.521 176.519 0.121 0.000 1.231 498 W CA 1.660 59.070 57.345 0.108 0.000 1.248 498 W CB -0.418 29.151 29.460 0.181 0.000 1.117 498 W HN 0.756 nan 8.180 nan 0.000 0.568 499 H N 0.072 119.231 119.070 0.147 0.000 2.307 499 H HA -0.139 4.417 4.556 0.000 0.000 0.303 499 H C 2.420 177.672 175.328 -0.127 0.000 1.073 499 H CA 1.898 57.963 56.048 0.028 0.000 1.338 499 H CB -0.344 29.480 29.762 0.103 0.000 1.389 499 H HN 0.038 nan 8.280 nan 0.000 0.503 500 L N 0.472 121.631 121.223 -0.106 0.000 2.217 500 L HA -0.029 4.312 4.340 0.000 0.000 0.211 500 L C 2.804 179.532 176.870 -0.237 0.000 1.107 500 L CA 0.541 55.213 54.840 -0.279 0.000 0.783 500 L CB -0.353 41.560 42.059 -0.245 0.000 0.919 500 L HN 0.362 nan 8.230 nan 0.000 0.442 501 A N 0.231 122.927 122.820 -0.207 0.000 2.225 501 A HA -0.022 4.298 4.320 0.000 0.000 0.215 501 A C 1.724 179.115 177.584 -0.321 0.000 1.164 501 A CA 1.454 53.335 52.037 -0.261 0.000 0.710 501 A CB -0.618 18.197 19.000 -0.309 0.000 0.780 501 A HN 0.457 nan 8.150 nan 0.000 0.473 502 G N -0.776 107.832 108.800 -0.319 0.000 4.424 502 G HA2 0.415 4.375 3.960 0.000 0.000 0.287 502 G HA3 0.415 4.375 3.960 0.000 0.000 0.287 502 G C 0.183 174.901 174.900 -0.303 0.000 1.023 502 G CA 0.614 45.510 45.100 -0.340 0.000 0.790 502 G HN 0.568 nan 8.290 nan 0.000 0.468 503 T N -3.878 110.503 114.554 -0.289 0.000 2.910 503 T HA 0.645 4.995 4.350 0.000 0.000 0.287 503 T C 0.408 174.953 174.700 -0.258 0.000 1.050 503 T CA -0.318 61.603 62.100 -0.299 0.000 1.011 503 T CB 2.631 71.237 68.868 -0.436 0.000 1.195 503 T HN 0.076 nan 8.240 nan 0.000 0.540 504 Q N 0.276 119.954 119.800 -0.203 0.000 1.881 504 Q HA -0.261 4.079 4.340 0.000 0.000 0.372 504 Q C 0.682 176.548 176.000 -0.224 0.000 0.737 504 Q CA 1.912 57.611 55.803 -0.174 0.000 0.914 504 Q CB -1.509 27.078 28.738 -0.252 0.000 2.970 504 Q HN 0.971 nan 8.270 nan 0.000 0.753 505 Q N 1.553 121.043 119.800 -0.515 0.000 2.242 505 Q HA 0.229 4.569 4.340 0.000 0.000 0.246 505 Q C 0.316 175.785 176.000 -0.886 0.000 0.883 505 Q CA -0.077 54.908 55.803 -1.364 0.000 0.984 505 Q CB 0.269 28.355 28.738 -1.087 0.000 1.096 505 Q HN 0.312 nan 8.270 nan 0.000 0.452 506 N N -0.065 118.426 118.700 -0.349 0.000 2.118 506 N HA 0.002 4.743 4.740 0.000 0.000 0.226 506 N C 0.980 176.396 175.510 -0.156 0.000 1.305 506 N CA 0.058 53.002 53.050 -0.177 0.000 0.890 506 N CB 0.666 39.019 38.487 -0.224 0.000 1.118 506 N HN 0.021 nan 8.380 nan 0.000 0.511 507 K N 1.850 122.197 120.400 -0.088 0.000 2.152 507 K HA -0.147 4.174 4.320 0.000 0.000 0.206 507 K C 1.942 178.064 176.600 -0.797 0.000 1.048 507 K CA 1.308 57.355 56.287 -0.399 0.000 0.933 507 K CB 0.025 32.337 32.500 -0.313 0.000 0.721 507 K HN -0.033 nan 8.250 nan 0.000 0.447 508 Q N 0.723 120.319 119.800 -0.340 0.000 2.226 508 Q HA -0.088 4.252 4.340 0.000 0.000 0.204 508 Q C 1.380 177.211 176.000 -0.283 0.000 0.975 508 Q CA 1.607 57.248 55.803 -0.271 0.000 0.866 508 Q CB -0.300 28.479 28.738 0.068 0.000 0.915 508 Q HN 0.402 nan 8.270 nan 0.000 0.440 509 N N -0.741 117.800 118.700 -0.265 0.000 2.166 509 N HA -0.137 4.603 4.740 0.000 0.000 0.186 509 N C 1.655 177.005 175.510 -0.268 0.000 1.019 509 N CA 1.534 54.454 53.050 -0.218 0.000 0.856 509 N CB -0.155 38.191 38.487 -0.234 0.000 0.993 509 N HN 0.160 nan 8.380 nan 0.000 0.426 510 V N 1.521 121.156 119.914 -0.464 0.000 2.255 510 V HA -0.237 3.883 4.120 0.000 0.000 0.247 510 V C 2.027 178.021 176.094 -0.167 0.000 1.051 510 V CA 1.583 63.638 62.300 -0.408 0.000 1.018 510 V CB -0.755 30.704 31.823 -0.607 0.000 0.641 510 V HN 0.088 nan 8.190 nan 0.000 0.445 511 F N 0.915 120.815 119.950 -0.083 0.000 2.134 511 F HA -0.138 4.389 4.527 0.000 0.000 0.299 511 F C 2.213 178.067 175.800 0.091 0.000 1.097 511 F CA 1.301 59.301 58.000 0.001 0.000 1.264 511 F CB -1.467 37.500 39.000 -0.056 0.000 1.001 511 F HN 0.245 nan 8.300 nan 0.000 0.479 512 D N 0.094 120.614 120.400 0.201 0.000 2.144 512 D HA -0.155 4.485 4.640 0.000 0.000 0.199 512 D C 1.869 178.291 176.300 0.204 0.000 0.984 512 D CA 1.445 55.544 54.000 0.164 0.000 0.834 512 D CB -0.387 40.469 40.800 0.092 0.000 0.955 512 D HN 0.216 nan 8.370 nan 0.000 0.465 513 D N -0.455 120.064 120.400 0.198 0.000 2.144 513 D HA -0.142 4.499 4.640 0.000 0.000 0.199 513 D C 1.798 178.368 176.300 0.451 0.000 0.984 513 D CA 0.538 54.723 54.000 0.310 0.000 0.834 513 D CB -0.228 40.691 40.800 0.199 0.000 0.955 513 D HN 0.162 nan 8.370 nan 0.000 0.465 514 F N 1.645 121.693 119.950 0.162 0.000 2.113 514 F HA -0.055 4.472 4.527 0.000 0.000 0.297 514 F C 2.311 178.145 175.800 0.056 0.000 1.103 514 F CA 0.546 58.609 58.000 0.106 0.000 1.248 514 F CB -0.518 38.537 39.000 0.092 0.000 0.999 514 F HN -0.140 nan 8.300 nan 0.000 0.475 515 I N -0.200 120.468 120.570 0.163 0.000 2.208 515 I HA -0.335 3.836 4.170 0.000 0.000 0.245 515 I C 2.588 178.700 176.117 -0.009 0.000 1.097 515 I CA 1.349 62.669 61.300 0.033 0.000 1.363 515 I CB -0.961 37.095 38.000 0.093 0.000 1.051 515 I HN 0.130 nan 8.210 nan 0.000 0.413 516 A N 0.698 123.565 122.820 0.078 0.000 1.972 516 A HA -0.105 4.215 4.320 0.000 0.000 0.219 516 A C 2.545 179.962 177.584 -0.279 0.000 1.169 516 A CA 1.649 53.726 52.037 0.067 0.000 0.635 516 A CB -0.679 18.525 19.000 0.340 0.000 0.810 516 A HN 0.441 nan 8.150 nan 0.000 0.446 517 A N 0.156 122.665 122.820 -0.519 0.000 1.865 517 A HA 0.111 4.431 4.320 0.000 0.000 0.217 517 A C 2.549 179.904 177.584 -0.381 0.000 1.191 517 A CA 2.296 53.839 52.037 -0.825 0.000 0.623 517 A CB -1.194 17.540 19.000 -0.443 0.000 0.826 517 A HN 1.068 nan 8.150 nan 0.000 0.444 518 A N -0.077 122.555 122.820 -0.314 0.000 1.865 518 A HA -0.229 4.091 4.320 0.000 0.000 0.217 518 A C 1.906 179.427 177.584 -0.105 0.000 1.191 518 A CA 1.828 53.734 52.037 -0.218 0.000 0.623 518 A CB -0.788 18.069 19.000 -0.238 0.000 0.826 518 A HN 0.656 nan 8.150 nan 0.000 0.444 519 E N -1.640 118.516 120.200 -0.074 0.000 2.070 519 E HA -0.277 4.073 4.350 0.000 0.000 0.197 519 E C 1.938 178.547 176.600 0.014 0.000 1.004 519 E CA 1.711 58.102 56.400 -0.014 0.000 0.805 519 E CB -0.441 29.271 29.700 0.021 0.000 0.744 519 E HN 0.778 nan 8.360 nan 0.000 0.451 520 Y N 1.583 121.818 120.300 -0.108 0.000 2.128 520 Y HA -0.234 4.316 4.550 0.000 0.000 0.284 520 Y C 2.068 177.979 175.900 0.019 0.000 1.154 520 Y CA 1.465 59.534 58.100 -0.051 0.000 1.149 520 Y CB -0.246 38.127 38.460 -0.146 0.000 0.976 520 Y HN -0.048 nan 8.280 nan 0.000 0.505 521 L N -0.060 121.193 121.223 0.051 0.000 2.127 521 L HA -0.275 4.066 4.340 0.000 0.000 0.211 521 L C 2.318 179.227 176.870 0.064 0.000 1.089 521 L CA 1.776 56.671 54.840 0.091 0.000 0.757 521 L CB -0.454 41.626 42.059 0.035 0.000 0.899 521 L HN 0.240 nan 8.230 nan 0.000 0.434 522 K N -0.114 120.278 120.400 -0.013 0.000 1.975 522 K HA -0.036 4.284 4.320 0.000 0.000 0.210 522 K C 2.265 178.816 176.600 -0.082 0.000 1.041 522 K CA 1.097 57.366 56.287 -0.031 0.000 0.942 522 K CB -0.461 32.022 32.500 -0.028 0.000 0.729 522 K HN 0.172 nan 8.250 nan 0.000 0.439 523 A N 2.100 124.861 122.820 -0.099 0.000 1.971 523 A HA -0.243 4.078 4.320 0.000 0.000 0.222 523 A C 1.760 179.231 177.584 -0.188 0.000 1.182 523 A CA 1.857 53.822 52.037 -0.121 0.000 0.649 523 A CB -0.471 18.469 19.000 -0.100 0.000 0.818 523 A HN 0.266 nan 8.150 nan 0.000 0.458 524 E N -1.530 118.500 120.200 -0.283 0.000 2.502 524 E HA 0.168 4.518 4.350 0.000 0.000 0.194 524 E C 1.322 177.683 176.600 -0.399 0.000 1.062 524 E CA 0.729 56.919 56.400 -0.350 0.000 0.867 524 E CB -0.386 29.063 29.700 -0.418 0.000 0.888 524 E HN 0.921 nan 8.360 nan 0.000 0.510 525 G N 0.726 109.361 108.800 -0.275 0.000 2.143 525 G HA2 -0.343 3.617 3.960 0.000 0.000 0.249 525 G HA3 -0.343 3.617 3.960 0.000 0.000 0.249 525 G C 0.648 175.369 174.900 -0.299 0.000 0.981 525 G CA 0.537 45.479 45.100 -0.264 0.000 0.665 525 G HN 0.271 nan 8.290 nan 0.000 0.528 526 Y N 0.155 120.392 120.300 -0.106 0.000 2.130 526 Y HA 0.321 4.872 4.550 0.000 0.000 0.287 526 Y C 2.280 178.143 175.900 -0.062 0.000 1.124 526 Y CA 2.138 60.183 58.100 -0.092 0.000 1.118 526 Y CB -0.287 38.141 38.460 -0.054 0.000 0.994 526 Y HN 0.369 nan 8.280 nan 0.000 0.497 527 T N -0.942 113.688 114.554 0.128 0.000 2.645 527 T HA 0.662 5.012 4.350 0.000 0.000 0.273 527 T C -1.443 173.274 174.700 0.030 0.000 0.960 527 T CA -0.931 61.214 62.100 0.074 0.000 1.051 527 T CB 1.378 70.304 68.868 0.096 0.000 1.366 527 T HN 0.236 nan 8.240 nan 0.000 0.536 528 R N -0.539 119.976 120.500 0.024 0.000 2.734 528 R HA 0.493 4.833 4.340 0.000 0.000 0.271 528 R C 0.688 176.992 176.300 0.006 0.000 1.021 528 R CA -0.515 55.587 56.100 0.004 0.000 0.893 528 R CB 0.136 30.431 30.300 -0.007 0.000 1.244 528 R HN 0.541 nan 8.270 nan 0.000 0.464 529 T N 0.606 115.157 114.554 -0.004 0.000 2.624 529 T HA -0.294 4.056 4.350 0.000 0.000 0.266 529 T C 1.039 175.736 174.700 -0.004 0.000 1.050 529 T CA 2.574 64.670 62.100 -0.007 0.000 1.163 529 T CB -0.654 68.209 68.868 -0.009 0.000 0.861 529 T HN 0.849 nan 8.240 nan 0.000 0.443 530 D N 0.373 120.769 120.400 -0.007 0.000 2.348 530 D HA -0.080 4.561 4.640 0.000 0.000 0.216 530 D C 1.674 177.980 176.300 0.009 0.000 0.970 530 D CA 0.513 54.504 54.000 -0.015 0.000 0.889 530 D CB -0.091 40.692 40.800 -0.029 0.000 0.912 530 D HN 0.145 nan 8.370 nan 0.000 0.524 531 R N -0.223 120.299 120.500 0.037 0.000 2.586 531 R HA 0.351 4.691 4.340 0.000 0.000 0.336 531 R C -0.631 175.739 176.300 0.118 0.000 1.060 531 R CA -0.478 55.678 56.100 0.094 0.000 1.079 531 R CB 0.176 30.530 30.300 0.090 0.000 1.317 531 R HN 0.251 nan 8.270 nan 0.000 0.568 532 L N 0.158 121.428 121.223 0.078 0.000 2.385 532 L HA 0.730 5.070 4.340 0.000 0.000 0.273 532 L C -1.266 175.638 176.870 0.057 0.000 0.990 532 L CA -0.690 54.191 54.840 0.068 0.000 0.821 532 L CB 1.978 44.047 42.059 0.017 0.000 1.279 532 L HN 0.074 nan 8.230 nan 0.000 0.412 533 A N 5.642 128.504 122.820 0.070 0.000 2.435 533 A HA 0.831 5.151 4.320 0.000 0.000 0.304 533 A C -0.944 176.661 177.584 0.035 0.000 1.064 533 A CA -0.610 51.464 52.037 0.062 0.000 0.727 533 A CB 1.223 20.280 19.000 0.094 0.000 1.284 533 A HN 0.867 nan 8.150 nan 0.000 0.415 534 I N -0.756 119.843 120.570 0.049 0.000 2.562 534 I HA 0.922 5.092 4.170 0.000 0.000 0.301 534 I C -0.337 175.872 176.117 0.154 0.000 1.003 534 I CA -0.903 60.447 61.300 0.083 0.000 1.127 534 I CB 1.899 39.944 38.000 0.076 0.000 1.304 534 I HN 0.801 nan 8.210 nan 0.000 0.446 535 R N 3.163 123.791 120.500 0.213 0.000 2.707 535 R HA 0.835 5.175 4.340 0.000 0.000 0.272 535 R C -1.286 175.039 176.300 0.042 0.000 1.011 535 R CA -0.551 55.654 56.100 0.175 0.000 0.893 535 R CB 2.477 32.922 30.300 0.241 0.000 1.233 535 R HN 1.131 nan 8.270 nan 0.000 0.464 536 G N 0.154 108.945 108.800 -0.016 0.000 2.579 536 G HA2 0.500 4.460 3.960 0.000 0.000 0.292 536 G HA3 0.500 4.460 3.960 0.000 0.000 0.292 536 G C -1.636 173.233 174.900 -0.052 0.000 1.484 536 G CA -0.372 44.612 45.100 -0.195 0.000 0.813 536 G HN 0.722 nan 8.290 nan 0.000 0.515 537 G N -0.602 108.192 108.800 -0.009 0.000 2.542 537 G HA2 0.699 4.659 3.960 0.000 0.000 0.311 537 G HA3 0.699 4.659 3.960 0.000 0.000 0.311 537 G C 0.364 175.257 174.900 -0.012 0.000 1.298 537 G CA 0.949 46.054 45.100 0.009 0.000 0.973 537 G HN 1.721 nan 8.290 nan 0.000 0.487 538 S N 0.727 116.362 115.700 -0.109 0.000 4.139 538 S HA -0.373 4.097 4.470 0.000 0.000 0.603 538 S C 1.996 176.420 174.600 -0.294 0.000 1.897 538 S CA 1.329 59.404 58.200 -0.209 0.000 4.241 538 S CB -1.421 61.682 63.200 -0.162 0.000 0.221 538 S HN 0.963 nan 8.310 nan 0.000 0.488 539 N N 1.788 120.273 118.700 -0.358 0.000 2.192 539 N HA -0.139 4.601 4.740 0.000 0.000 0.188 539 N C 1.711 176.934 175.510 -0.479 0.000 1.013 539 N CA 1.421 54.201 53.050 -0.450 0.000 0.863 539 N CB -0.653 37.334 38.487 -0.835 0.000 0.990 539 N HN 0.603 nan 8.380 nan 0.000 0.430 540 G N -0.228 108.337 108.800 -0.391 0.000 2.403 540 G HA2 -0.086 3.874 3.960 0.000 0.000 0.216 540 G HA3 -0.086 3.874 3.960 0.000 0.000 0.216 540 G C 1.432 176.173 174.900 -0.266 0.000 1.154 540 G CA 0.689 45.608 45.100 -0.303 0.000 0.784 540 G HN 0.402 nan 8.290 nan 0.000 0.538 541 G N 0.904 109.570 108.800 -0.223 0.000 2.432 541 G HA2 -0.121 3.839 3.960 0.000 0.000 0.219 541 G HA3 -0.121 3.839 3.960 0.000 0.000 0.219 541 G C 1.713 176.434 174.900 -0.298 0.000 1.135 541 G CA 1.120 46.086 45.100 -0.224 0.000 0.767 541 G HN 0.449 nan 8.290 nan 0.000 0.550 542 L N 0.194 121.221 121.223 -0.326 0.000 2.072 542 L HA 0.196 4.536 4.340 0.000 0.000 0.205 542 L C 2.446 179.125 176.870 -0.319 0.000 1.079 542 L CA 1.502 56.135 54.840 -0.346 0.000 0.752 542 L CB -0.697 41.167 42.059 -0.326 0.000 0.906 542 L HN 0.149 nan 8.230 nan 0.000 0.436 543 L N -0.751 120.317 121.223 -0.258 0.000 2.013 543 L HA -0.175 4.166 4.340 0.000 0.000 0.212 543 L C 2.294 179.006 176.870 -0.263 0.000 1.073 543 L CA 2.123 56.819 54.840 -0.240 0.000 0.753 543 L CB -0.738 41.086 42.059 -0.390 0.000 0.890 543 L HN 0.142 nan 8.230 nan 0.000 0.432 544 V N -0.046 119.749 119.914 -0.198 0.000 2.453 544 V HA -0.108 4.013 4.120 0.000 0.000 0.247 544 V C 2.603 178.630 176.094 -0.111 0.000 1.048 544 V CA 1.487 63.756 62.300 -0.051 0.000 1.049 544 V CB -1.342 30.477 31.823 -0.006 0.000 0.672 544 V HN 0.641 nan 8.190 nan 0.000 0.457 545 G N -0.104 108.554 108.800 -0.237 0.000 2.459 545 G HA2 -0.245 3.716 3.960 0.000 0.000 0.217 545 G HA3 -0.245 3.716 3.960 0.000 0.000 0.217 545 G C 1.757 176.512 174.900 -0.242 0.000 1.183 545 G CA 1.233 46.155 45.100 -0.298 0.000 0.776 545 G HN 0.590 nan 8.290 nan 0.000 0.552 546 A N 0.172 122.739 122.820 -0.422 0.000 1.832 546 A HA 0.280 4.600 4.320 0.000 0.000 0.214 546 A C 1.710 179.067 177.584 -0.379 0.000 1.200 546 A CA 1.083 52.797 52.037 -0.538 0.000 0.610 546 A CB -0.898 17.310 19.000 -1.321 0.000 0.842 546 A HN 0.293 nan 8.150 nan 0.000 0.444 550 Q N 0.495 120.336 119.800 0.067 0.000 2.302 550 Q HA 0.310 4.650 4.340 0.000 0.000 0.202 550 Q C 0.639 176.679 176.000 0.067 0.000 0.936 550 Q CA 0.406 56.244 55.803 0.059 0.000 0.886 550 Q CB 0.438 29.192 28.738 0.028 0.000 0.986 550 Q HN 0.155 nan 8.270 nan 0.000 0.487 551 R N 0.590 121.134 120.500 0.072 0.000 2.647 551 R HA 0.165 4.505 4.340 0.000 0.000 0.295 551 R C -2.332 174.013 176.300 0.074 0.000 1.267 551 R CA -1.143 54.994 56.100 0.061 0.000 1.386 551 R CB 0.733 31.059 30.300 0.042 0.000 1.309 551 R HN 0.094 nan 8.270 nan 0.000 0.692 552 P HA -0.104 nan 4.420 nan 0.000 0.250 552 P C 0.252 177.598 177.300 0.077 0.000 1.239 552 P CA 0.972 64.165 63.100 0.155 0.000 0.756 552 P CB 0.298 32.153 31.700 0.259 0.000 1.013 553 D N -1.515 118.912 120.400 0.044 0.000 2.431 553 D HA -0.004 4.637 4.640 0.000 0.000 0.227 553 D C 1.169 177.477 176.300 0.014 0.000 1.030 553 D CA -0.220 53.795 54.000 0.024 0.000 0.897 553 D CB -0.667 40.141 40.800 0.014 0.000 1.058 553 D HN 0.060 nan 8.370 nan 0.000 0.500 557 V N 1.274 121.188 119.914 0.000 0.000 2.760 557 V HA 0.888 5.008 4.120 0.000 0.000 0.309 557 V C -0.989 175.166 176.094 0.103 0.000 1.077 557 V CA -0.555 61.780 62.300 0.058 0.000 0.910 557 V CB 1.743 33.617 31.823 0.085 0.000 1.008 557 V HN 0.273 nan 8.190 nan 0.000 0.424 558 A N 5.110 128.017 122.820 0.145 0.000 2.318 558 A HA 0.907 5.227 4.320 0.000 0.000 0.317 558 A C -0.872 176.802 177.584 0.150 0.000 1.159 558 A CA -0.423 51.693 52.037 0.133 0.000 0.799 558 A CB 0.806 19.876 19.000 0.117 0.000 1.194 558 A HN 0.828 nan 8.150 nan 0.000 0.479 559 L N 4.840 126.136 121.223 0.121 0.000 2.502 559 L HA 0.336 4.676 4.340 0.000 0.000 0.247 559 L C -2.405 174.498 176.870 0.054 0.000 1.180 559 L CA -1.447 53.450 54.840 0.096 0.000 0.956 559 L CB 1.664 43.787 42.059 0.106 0.000 1.282 559 L HN 0.488 nan 8.230 nan 0.000 0.470 560 P HA 0.335 nan 4.420 nan 0.000 0.293 560 P C -0.817 176.463 177.300 -0.032 0.000 1.313 560 P CA -0.105 62.982 63.100 -0.021 0.000 0.787 560 P CB 2.047 33.726 31.700 -0.036 0.000 0.910 561 A N 3.552 126.347 122.820 -0.041 0.000 2.342 561 A HA 0.488 4.808 4.320 0.000 0.000 0.323 561 A C 0.556 178.100 177.584 -0.067 0.000 1.125 561 A CA -0.816 51.197 52.037 -0.040 0.000 0.785 561 A CB 0.885 19.879 19.000 -0.009 0.000 1.221 561 A HN 0.311 nan 8.150 nan 0.000 0.463 562 V N 1.103 120.973 119.914 -0.073 0.000 4.931 562 V HA -0.254 3.866 4.120 0.000 0.000 0.254 562 V C 1.104 177.113 176.094 -0.142 0.000 0.620 562 V CA 1.126 63.372 62.300 -0.090 0.000 0.715 562 V CB -2.231 29.555 31.823 -0.062 0.000 0.589 562 V HN 1.394 nan 8.190 nan 0.000 0.982 563 G N -0.626 108.068 108.800 -0.177 0.000 2.451 563 G HA2 0.545 4.506 3.960 0.000 0.000 0.303 563 G HA3 0.545 4.506 3.960 0.000 0.000 0.303 563 G C -0.443 174.228 174.900 -0.382 0.000 1.166 563 G CA -0.495 44.440 45.100 -0.274 0.000 0.884 563 G HN 0.524 nan 8.290 nan 0.000 0.514 564 V N 2.153 121.744 119.914 -0.539 0.000 2.320 564 V HA 0.191 4.311 4.120 0.000 0.000 0.265 564 V C 0.763 176.497 176.094 -0.600 0.000 1.048 564 V CA -0.154 61.633 62.300 -0.854 0.000 0.865 564 V CB 0.664 31.997 31.823 -0.817 0.000 1.043 564 V HN 0.654 nan 8.190 nan 0.000 0.474 565 L N 1.727 122.699 121.223 -0.417 0.000 2.638 565 L HA 0.382 4.722 4.340 0.000 0.000 0.232 565 L C 0.756 177.557 176.870 -0.114 0.000 1.099 565 L CA 0.300 54.928 54.840 -0.353 0.000 0.883 565 L CB 0.275 41.971 42.059 -0.606 0.000 1.136 565 L HN 0.546 nan 8.230 nan 0.000 0.492 569 R N -2.074 118.544 120.500 0.197 0.000 2.485 569 R HA 0.110 4.451 4.340 0.000 0.000 0.250 569 R C 0.642 176.855 176.300 -0.146 0.000 0.688 569 R CA 0.187 56.201 56.100 -0.144 0.000 0.904 569 R CB -1.280 29.003 30.300 -0.027 0.000 1.367 569 R HN 0.177 nan 8.270 nan 0.000 0.585 570 Y N 0.828 121.281 120.300 0.254 0.000 2.337 570 Y HA 0.025 4.575 4.550 0.000 0.000 0.293 570 Y C 2.342 178.469 175.900 0.378 0.000 1.123 570 Y CA 1.300 59.737 58.100 0.561 0.000 1.201 570 Y CB -0.643 38.181 38.460 0.607 0.000 1.011 570 Y HN 0.222 nan 8.280 nan 0.000 0.545 571 H N 0.498 119.144 119.070 -0.706 0.000 2.489 571 H HA -0.102 4.454 4.556 0.000 0.000 0.295 571 H C 1.417 176.613 175.328 -0.220 0.000 1.082 571 H CA 1.485 57.272 56.048 -0.435 0.000 1.295 571 H CB -1.700 27.740 29.762 -0.536 0.000 1.380 571 H HN 0.517 nan 8.280 nan 0.000 0.548 572 T N -1.995 112.151 114.554 -0.680 0.000 3.400 572 T HA 0.100 4.450 4.350 0.000 0.000 0.254 572 T C -0.165 174.111 174.700 -0.706 0.000 1.153 572 T CA -0.238 61.469 62.100 -0.655 0.000 1.012 572 T CB -1.046 67.349 68.868 -0.789 0.000 0.994 572 T HN 0.063 nan 8.240 nan 0.000 0.555 573 F N 0.887 120.809 119.950 -0.047 0.000 2.493 573 F HA 0.489 5.017 4.527 0.000 0.000 0.329 573 F C 1.674 177.456 175.800 -0.031 0.000 1.126 573 F CA -1.472 56.526 58.000 -0.003 0.000 0.937 573 F CB 1.446 40.492 39.000 0.076 0.000 1.146 573 F HN -0.015 nan 8.300 nan 0.000 0.442 574 T N 2.475 117.116 114.554 0.145 0.000 2.397 574 T HA -0.388 3.962 4.350 0.000 0.000 0.236 574 T C 2.141 176.833 174.700 -0.013 0.000 1.393 574 T CA 2.948 65.081 62.100 0.054 0.000 1.148 574 T CB -0.341 68.566 68.868 0.065 0.000 0.853 574 T HN 0.709 nan 8.240 nan 0.000 0.419 575 A N 0.541 123.356 122.820 -0.009 0.000 2.024 575 A HA 0.162 4.482 4.320 0.000 0.000 0.220 575 A C 2.523 179.790 177.584 -0.528 0.000 1.164 575 A CA 1.942 53.910 52.037 -0.116 0.000 0.643 575 A CB -1.313 17.710 19.000 0.039 0.000 0.806 575 A HN 0.808 nan 8.150 nan 0.000 0.451 576 G N -1.786 106.736 108.800 -0.464 0.000 2.776 576 G HA2 0.086 4.046 3.960 0.000 0.000 0.209 576 G HA3 0.086 4.046 3.960 0.000 0.000 0.209 576 G C 0.973 175.626 174.900 -0.411 0.000 1.145 576 G CA 1.111 45.704 45.100 -0.845 0.000 0.791 576 G HN 0.421 nan 8.290 nan 0.000 0.530 577 T N -0.358 114.013 114.554 -0.305 0.000 3.264 577 T HA 0.443 4.793 4.350 0.000 0.000 0.257 577 T C 1.523 176.150 174.700 -0.121 0.000 0.976 577 T CA 0.505 62.542 62.100 -0.106 0.000 0.908 577 T CB -0.190 68.650 68.868 -0.046 0.000 1.082 577 T HN 0.191 nan 8.240 nan 0.000 0.567 578 G N -0.545 108.076 108.800 -0.298 0.000 3.443 578 G HA2 0.174 4.134 3.960 0.000 0.000 0.252 578 G HA3 0.174 4.134 3.960 0.000 0.000 0.252 578 G C 0.520 175.524 174.900 0.174 0.000 1.015 578 G CA -0.334 44.708 45.100 -0.098 0.000 0.891 578 G HN 0.519 nan 8.290 nan 0.000 0.510 579 W N 1.427 122.945 121.300 0.363 0.000 2.937 579 W HA 0.622 5.282 4.660 0.000 0.000 0.435 579 W C 1.219 177.881 176.519 0.237 0.000 0.912 579 W CA -1.005 56.547 57.345 0.346 0.000 2.209 579 W CB -0.879 28.822 29.460 0.401 0.000 1.144 579 W HN 0.241 nan 8.180 nan 0.000 0.762 580 A N 0.460 123.509 122.820 0.382 0.000 1.841 580 A HA -0.259 4.061 4.320 0.000 0.000 0.214 580 A C 1.752 179.461 177.584 0.209 0.000 1.195 580 A CA 1.423 53.635 52.037 0.293 0.000 0.611 580 A CB -1.302 17.820 19.000 0.203 0.000 0.835 580 A HN 0.247 nan 8.150 nan 0.000 0.443 581 Y N 1.187 121.512 120.300 0.042 0.000 2.228 581 Y HA -0.254 4.296 4.550 0.000 0.000 0.285 581 Y C 1.875 177.688 175.900 -0.145 0.000 1.178 581 Y CA 1.992 60.065 58.100 -0.046 0.000 1.202 581 Y CB -0.089 38.347 38.460 -0.040 0.000 0.974 581 Y HN 0.417 nan 8.280 nan 0.000 0.527 582 D N -1.991 118.259 120.400 -0.249 0.000 2.320 582 D HA -0.118 4.522 4.640 0.000 0.000 0.228 582 D C 1.874 178.003 176.300 -0.284 0.000 0.978 582 D CA 1.192 54.883 54.000 -0.516 0.000 0.905 582 D CB -0.447 39.693 40.800 -1.101 0.000 1.051 582 D HN 0.301 nan 8.370 nan 0.000 0.471 583 Y N 1.045 121.330 120.300 -0.026 0.000 2.206 583 Y HA 0.213 4.764 4.550 0.000 0.000 0.292 583 Y C 1.805 177.813 175.900 0.181 0.000 1.123 583 Y CA 0.576 58.736 58.100 0.100 0.000 1.142 583 Y CB -0.633 37.904 38.460 0.129 0.000 1.006 583 Y HN 0.035 nan 8.280 nan 0.000 0.518 584 G N -0.275 108.737 108.800 0.354 0.000 2.796 584 G HA2 0.047 4.007 3.960 0.000 0.000 0.571 584 G HA3 0.047 4.007 3.960 0.000 0.000 0.571 584 G C -0.255 174.795 174.900 0.250 0.000 1.370 584 G CA -0.340 44.887 45.100 0.212 0.000 0.856 584 G HN 0.648 nan 8.290 nan 0.000 0.538 585 T N -3.817 110.766 114.554 0.050 0.000 2.865 585 T HA 0.757 5.107 4.350 0.000 0.000 0.294 585 T C 1.350 176.022 174.700 -0.047 0.000 1.119 585 T CA 0.771 62.780 62.100 -0.151 0.000 1.007 585 T CB 1.390 69.813 68.868 -0.742 0.000 1.225 585 T HN 2.195 nan 8.240 nan 0.000 0.515 586 S N -0.202 115.479 115.700 -0.032 0.000 2.660 586 S HA 0.315 4.785 4.470 0.000 0.000 0.223 586 S C 1.198 175.891 174.600 0.155 0.000 0.963 586 S CA -0.022 58.281 58.200 0.171 0.000 0.932 586 S CB -0.521 62.773 63.200 0.157 0.000 0.775 586 S HN 1.188 nan 8.310 nan 0.000 0.531 587 A N 0.697 123.514 122.820 -0.005 0.000 3.106 587 A HA 0.510 4.831 4.320 0.000 0.000 0.306 587 A C 0.393 178.019 177.584 0.071 0.000 1.192 587 A CA -0.535 51.516 52.037 0.024 0.000 0.994 587 A CB 0.195 19.167 19.000 -0.047 0.000 1.107 587 A HN 0.329 nan 8.150 nan 0.000 0.585 588 D N -0.516 119.987 120.400 0.172 0.000 2.331 588 D HA 0.140 4.780 4.640 0.000 0.000 0.300 588 D C 0.372 176.775 176.300 0.171 0.000 1.090 588 D CA 1.363 55.437 54.000 0.124 0.000 0.905 588 D CB 0.638 41.471 40.800 0.054 0.000 1.600 588 D HN 0.560 nan 8.370 nan 0.000 0.511 589 S N -0.763 115.037 115.700 0.167 0.000 2.597 589 S HA 0.169 4.640 4.470 0.000 0.000 0.274 589 S C 0.172 174.339 174.600 -0.721 0.000 1.132 589 S CA -0.697 57.409 58.200 -0.157 0.000 0.835 589 S CB 2.154 65.285 63.200 -0.115 0.000 1.092 589 S HN -0.075 nan 8.310 nan 0.000 0.457 590 E N 0.705 120.006 120.200 -1.500 0.000 2.338 590 E HA 0.136 4.486 4.350 0.000 0.000 0.197 590 E C 1.008 177.439 176.600 -0.283 0.000 1.007 590 E CA 0.893 56.568 56.400 -1.208 0.000 0.849 590 E CB -0.199 28.952 29.700 -0.915 0.000 0.774 590 E HN 0.813 nan 8.360 nan 0.000 0.506 594 D N 0.642 120.935 120.400 -0.178 0.000 2.123 594 D HA -0.201 4.439 4.640 0.000 0.000 0.196 594 D C 1.827 178.000 176.300 -0.211 0.000 0.992 594 D CA 2.154 56.001 54.000 -0.255 0.000 0.833 594 D CB -0.557 40.216 40.800 -0.046 0.000 0.954 594 D HN 0.439 nan 8.370 nan 0.000 0.455 595 Y N 1.557 121.754 120.300 -0.172 0.000 2.165 595 Y HA -0.176 4.374 4.550 0.000 0.000 0.286 595 Y C 2.321 178.065 175.900 -0.261 0.000 1.155 595 Y CA 1.244 59.276 58.100 -0.114 0.000 1.164 595 Y CB -0.308 38.136 38.460 -0.027 0.000 0.978 595 Y HN -0.074 nan 8.280 nan 0.000 0.513 596 L N 0.134 121.180 121.223 -0.295 0.000 1.976 596 L HA -0.262 4.078 4.340 0.000 0.000 0.209 596 L C 2.561 179.014 176.870 -0.696 0.000 1.071 596 L CA 2.081 56.551 54.840 -0.617 0.000 0.746 596 L CB -0.933 40.967 42.059 -0.265 0.000 0.890 596 L HN 0.122 nan 8.230 nan 0.000 0.432 597 K N 0.734 120.802 120.400 -0.554 0.000 2.089 597 K HA -0.213 4.107 4.320 0.000 0.000 0.210 597 K C 1.985 178.402 176.600 -0.305 0.000 1.048 597 K CA 1.810 57.837 56.287 -0.433 0.000 0.926 597 K CB -0.462 31.682 32.500 -0.594 0.000 0.714 597 K HN 0.371 nan 8.250 nan 0.000 0.448 598 G N 0.249 108.843 108.800 -0.343 0.000 2.475 598 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 598 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 598 G C 1.249 176.085 174.900 -0.107 0.000 1.125 598 G CA 1.457 46.427 45.100 -0.217 0.000 0.755 598 G HN 0.656 nan 8.290 nan 0.000 0.565 599 Y N -1.179 119.034 120.300 -0.145 0.000 2.512 599 Y HA 0.481 5.031 4.550 0.000 0.000 0.268 599 Y C 1.212 177.057 175.900 -0.091 0.000 1.102 599 Y CA -0.722 57.320 58.100 -0.097 0.000 1.261 599 Y CB -0.464 37.993 38.460 -0.004 0.000 1.250 599 Y HN 0.001 nan 8.280 nan 0.000 0.506 600 S N 4.406 120.011 115.700 -0.158 0.000 3.361 600 S HA -0.026 4.445 4.470 0.000 0.000 0.396 600 S C -1.428 173.178 174.600 0.009 0.000 1.165 600 S CA -0.483 57.702 58.200 -0.024 0.000 1.192 600 S CB 0.134 63.345 63.200 0.017 0.000 0.843 600 S HN 0.260 nan 8.310 nan 0.000 0.528 601 P HA -0.207 nan 4.420 nan 0.000 0.214 601 P C 1.683 179.037 177.300 0.089 0.000 1.172 601 P CA 0.868 63.919 63.100 -0.082 0.000 0.925 601 P CB -0.018 31.427 31.700 -0.424 0.000 0.793 602 L N -1.068 120.135 121.223 -0.033 0.000 2.051 602 L HA -0.182 4.159 4.340 0.000 0.000 0.214 602 L C 0.971 177.760 176.870 -0.136 0.000 1.076 602 L CA 1.963 56.800 54.840 -0.005 0.000 0.758 602 L CB -1.415 40.453 42.059 -0.318 0.000 0.890 602 L HN 0.168 nan 8.230 nan 0.000 0.433 603 H N 1.106 120.242 119.070 0.110 0.000 2.726 603 H HA 0.373 4.929 4.556 0.000 0.000 0.244 603 H C 0.042 175.398 175.328 0.045 0.000 1.669 603 H CA -0.017 56.071 56.048 0.067 0.000 1.293 603 H CB -0.256 29.520 29.762 0.024 0.000 1.640 603 H HN 0.408 nan 8.280 nan 0.000 0.553 604 N N 0.882 119.668 118.700 0.143 0.000 2.446 604 N HA -0.051 4.690 4.740 0.000 0.000 0.205 604 N C -0.953 174.639 175.510 0.136 0.000 1.393 604 N CA 0.124 53.245 53.050 0.118 0.000 1.642 604 N CB 0.854 39.395 38.487 0.090 0.000 1.081 604 N HN 0.056 nan 8.380 nan 0.000 0.692 605 V N 2.045 122.031 119.914 0.120 0.000 2.350 605 V HA 0.523 4.644 4.120 0.000 0.000 0.276 605 V C 0.278 176.477 176.094 0.175 0.000 1.028 605 V CA -0.290 62.082 62.300 0.119 0.000 0.860 605 V CB 1.441 33.222 31.823 -0.071 0.000 0.990 605 V HN 0.003 nan 8.190 nan 0.000 0.453 606 R N 4.596 125.246 120.500 0.250 0.000 2.686 606 R HA 0.546 4.886 4.340 0.000 0.000 0.286 606 R C -2.864 173.524 176.300 0.146 0.000 0.969 606 R CA -1.944 54.254 56.100 0.163 0.000 0.898 606 R CB 2.520 32.889 30.300 0.115 0.000 1.183 606 R HN 0.395 nan 8.270 nan 0.000 0.456 607 P HA 0.042 nan 4.420 nan 0.000 0.271 607 P C 0.505 177.821 177.300 0.026 0.000 1.233 607 P CA 0.584 63.728 63.100 0.074 0.000 0.789 607 P CB 0.634 32.377 31.700 0.071 0.000 0.951 608 G N -0.775 108.027 108.800 0.003 0.000 2.199 608 G HA2 -0.202 3.758 3.960 0.000 0.000 0.254 608 G HA3 -0.202 3.758 3.960 0.000 0.000 0.254 608 G C -0.070 174.785 174.900 -0.076 0.000 0.982 608 G CA 0.020 45.106 45.100 -0.024 0.000 0.632 608 G HN 0.525 nan 8.290 nan 0.000 0.529 609 V N 1.261 121.094 119.914 -0.134 0.000 2.394 609 V HA 0.674 4.794 4.120 0.000 0.000 0.282 609 V C 0.681 176.512 176.094 -0.439 0.000 1.031 609 V CA 0.168 62.279 62.300 -0.315 0.000 0.881 609 V CB 1.717 33.261 31.823 -0.467 0.000 0.982 609 V HN 0.423 nan 8.190 nan 0.000 0.451 610 S N 4.897 120.396 115.700 -0.336 0.000 2.399 610 S HA 0.515 4.986 4.470 0.000 0.000 0.301 610 S C -0.705 173.772 174.600 -0.204 0.000 1.093 610 S CA -0.395 57.685 58.200 -0.200 0.000 1.077 610 S CB -0.273 62.873 63.200 -0.089 0.000 0.980 610 S HN 0.450 nan 8.310 nan 0.000 0.494 611 Y N 5.320 125.692 120.300 0.119 0.000 2.354 611 Y HA 0.450 5.000 4.550 0.000 0.000 0.322 611 Y C -1.567 174.448 175.900 0.191 0.000 1.253 611 Y CA -2.172 55.999 58.100 0.118 0.000 1.272 611 Y CB 0.425 38.923 38.460 0.063 0.000 1.255 611 Y HN 0.490 nan 8.280 nan 0.000 0.500 612 P HA 0.067 nan 4.420 nan 0.000 0.274 612 P C -0.745 176.608 177.300 0.089 0.000 1.246 612 P CA -0.369 62.750 63.100 0.032 0.000 0.795 612 P CB 0.756 32.472 31.700 0.027 0.000 1.006 613 S N 0.124 115.804 115.700 -0.034 0.000 2.552 613 S HA 0.233 4.703 4.470 0.000 0.000 0.289 613 S C 0.489 175.253 174.600 0.274 0.000 1.304 613 S CA 0.336 58.627 58.200 0.152 0.000 1.063 613 S CB -0.446 62.750 63.200 -0.007 0.000 0.848 613 S HN 0.505 nan 8.310 nan 0.000 0.499 617 T N -0.499 114.032 114.554 -0.038 0.000 2.863 617 T HA 0.928 5.278 4.350 0.000 0.000 0.285 617 T C -0.524 174.153 174.700 -0.039 0.000 1.009 617 T CA -0.442 61.632 62.100 -0.044 0.000 0.989 617 T CB 2.175 71.010 68.868 -0.054 0.000 1.004 617 T HN 1.313 nan 8.240 nan 0.000 0.455 618 T N 0.037 114.572 114.554 -0.033 0.000 2.775 618 T HA 0.644 4.995 4.350 0.000 0.000 0.320 618 T C -1.163 173.518 174.700 -0.032 0.000 1.597 618 T CA -0.163 61.906 62.100 -0.051 0.000 1.022 618 T CB 0.999 69.804 68.868 -0.106 0.000 1.485 618 T HN 1.260 nan 8.240 nan 0.000 0.494 619 A N 1.220 124.013 122.820 -0.045 0.000 2.271 619 A HA 0.594 4.914 4.320 0.000 0.000 0.288 619 A C 1.088 178.651 177.584 -0.035 0.000 1.094 619 A CA 0.355 52.371 52.037 -0.036 0.000 0.828 619 A CB 0.174 19.158 19.000 -0.026 0.000 1.091 619 A HN 0.987 nan 8.150 nan 0.000 0.493 620 D N -0.321 120.021 120.400 -0.097 0.000 2.097 620 D HA -0.075 4.565 4.640 0.000 0.000 0.195 620 D C 0.143 176.268 176.300 -0.291 0.000 0.989 620 D CA 1.698 55.568 54.000 -0.217 0.000 0.827 620 D CB -0.233 40.268 40.800 -0.497 0.000 0.966 620 D HN 0.490 nan 8.370 nan 0.000 0.456 621 H N -0.695 118.424 119.070 0.081 0.000 2.689 621 H HA 0.550 5.106 4.556 0.000 0.000 0.346 621 H C -1.133 174.209 175.328 0.023 0.000 1.037 621 H CA -0.781 55.300 56.048 0.055 0.000 1.234 621 H CB 1.595 31.395 29.762 0.063 0.000 1.572 621 H HN 0.109 nan 8.280 nan 0.000 0.524 622 D N 1.722 122.189 120.400 0.112 0.000 2.947 622 D HA 0.065 4.705 4.640 0.000 0.000 0.224 622 D C -0.244 176.093 176.300 0.062 0.000 1.230 622 D CA -0.358 53.682 54.000 0.066 0.000 0.871 622 D CB 2.227 43.040 40.800 0.022 0.000 1.671 622 D HN 0.549 nan 8.370 nan 0.000 0.507 623 D N 2.327 122.772 120.400 0.075 0.000 2.277 623 D HA -0.001 4.639 4.640 0.000 0.000 0.209 623 D C 1.802 178.171 176.300 0.115 0.000 0.970 623 D CA 0.252 54.301 54.000 0.082 0.000 0.874 623 D CB 0.226 41.072 40.800 0.075 0.000 0.982 623 D HN 0.265 nan 8.370 nan 0.000 0.504 624 R N 0.443 121.022 120.500 0.131 0.000 2.070 624 R HA -0.000 4.340 4.340 0.000 0.000 0.232 624 R C -0.241 176.258 176.300 0.332 0.000 1.138 624 R CA 1.138 57.364 56.100 0.212 0.000 0.936 624 R CB 0.042 30.441 30.300 0.164 0.000 0.839 624 R HN 0.082 nan 8.270 nan 0.000 0.429 625 V N 2.901 122.944 119.914 0.214 0.000 2.357 625 V HA 0.181 4.302 4.120 0.000 0.000 0.281 625 V C -0.401 175.748 176.094 0.091 0.000 1.015 625 V CA -0.954 61.481 62.300 0.225 0.000 0.827 625 V CB 1.289 33.152 31.823 0.067 0.000 1.018 625 V HN 0.224 nan 8.190 nan 0.000 0.432 626 V N 3.776 123.710 119.914 0.033 0.000 2.694 626 V HA 0.155 4.275 4.120 0.000 0.000 0.306 626 V C -1.266 174.643 176.094 -0.308 0.000 1.054 626 V CA -0.470 61.705 62.300 -0.208 0.000 1.161 626 V CB 0.410 31.907 31.823 -0.544 0.000 0.916 626 V HN 0.598 nan 8.190 nan 0.000 0.490 627 P HA -0.154 nan 4.420 nan 0.000 0.218 627 P C 1.744 178.456 177.300 -0.979 0.000 1.146 627 P CA 2.170 64.764 63.100 -0.844 0.000 0.813 627 P CB 0.030 31.069 31.700 -1.102 0.000 0.778 628 A N -0.257 122.166 122.820 -0.661 0.000 1.927 628 A HA -0.306 4.014 4.320 0.000 0.000 0.220 628 A C 2.072 179.444 177.584 -0.353 0.000 1.185 628 A CA 1.862 53.630 52.037 -0.447 0.000 0.639 628 A CB -1.764 16.940 19.000 -0.492 0.000 0.820 628 A HN 0.272 nan 8.150 nan 0.000 0.451 629 H N -0.295 118.617 119.070 -0.263 0.000 2.352 629 H HA -0.082 4.474 4.556 0.000 0.000 0.299 629 H C 2.466 177.724 175.328 -0.117 0.000 1.097 629 H CA 1.786 57.732 56.048 -0.170 0.000 1.311 629 H CB -0.327 29.317 29.762 -0.198 0.000 1.377 629 H HN 0.528 nan 8.280 nan 0.000 0.504 630 S N 0.285 115.950 115.700 -0.058 0.000 2.388 630 S HA -0.027 4.443 4.470 0.000 0.000 0.223 630 S C 1.943 176.671 174.600 0.212 0.000 1.034 630 S CA 0.266 58.489 58.200 0.037 0.000 0.963 630 S CB -0.122 63.042 63.200 -0.061 0.000 0.827 630 S HN 0.127 nan 8.310 nan 0.000 0.481 631 F N 2.379 122.362 119.950 0.055 0.000 2.046 631 F HA -0.032 4.495 4.527 0.000 0.000 0.297 631 F C 2.210 177.909 175.800 -0.169 0.000 1.123 631 F CA 0.798 58.824 58.000 0.044 0.000 1.199 631 F CB -1.094 37.794 39.000 -0.186 0.000 0.972 631 F HN 0.140 nan 8.300 nan 0.000 0.474 632 K N -0.811 119.586 120.400 -0.006 0.000 2.026 632 K HA -0.210 4.110 4.320 0.000 0.000 0.208 632 K C 2.088 178.669 176.600 -0.031 0.000 1.048 632 K CA 1.624 57.849 56.287 -0.103 0.000 0.929 632 K CB -0.697 31.806 32.500 0.004 0.000 0.713 632 K HN 0.108 nan 8.250 nan 0.000 0.439 633 F N 1.802 121.700 119.950 -0.087 0.000 2.161 633 F HA -0.199 4.328 4.527 0.000 0.000 0.300 633 F C 2.140 177.870 175.800 -0.118 0.000 1.089 633 F CA 1.091 59.032 58.000 -0.098 0.000 1.282 633 F CB -0.424 38.523 39.000 -0.088 0.000 1.010 633 F HN -0.005 nan 8.300 nan 0.000 0.485 634 A N 0.350 123.136 122.820 -0.057 0.000 1.845 634 A HA -0.040 4.280 4.320 0.000 0.000 0.215 634 A C 2.504 179.925 177.584 -0.272 0.000 1.195 634 A CA 1.968 53.914 52.037 -0.152 0.000 0.616 634 A CB -1.644 17.403 19.000 0.078 0.000 0.832 634 A HN 0.454 nan 8.150 nan 0.000 0.443 635 A N -0.797 121.851 122.820 -0.286 0.000 1.903 635 A HA -0.213 4.108 4.320 0.000 0.000 0.219 635 A C 2.326 179.628 177.584 -0.470 0.000 1.191 635 A CA 2.807 54.510 52.037 -0.557 0.000 0.638 635 A CB -1.632 16.534 19.000 -1.391 0.000 0.823 635 A HN 0.486 nan 8.150 nan 0.000 0.451 636 T N 0.637 114.966 114.554 -0.376 0.000 2.580 636 T HA -0.184 4.166 4.350 0.000 0.000 0.265 636 T C 1.846 176.429 174.700 -0.196 0.000 1.063 636 T CA 1.676 63.705 62.100 -0.117 0.000 1.170 636 T CB -0.611 68.192 68.868 -0.108 0.000 0.863 636 T HN 0.388 nan 8.240 nan 0.000 0.418 637 L N 0.843 121.818 121.223 -0.414 0.000 2.013 637 L HA -0.250 4.090 4.340 0.000 0.000 0.212 637 L C 2.978 179.722 176.870 -0.210 0.000 1.073 637 L CA 1.663 56.270 54.840 -0.388 0.000 0.753 637 L CB -0.760 40.958 42.059 -0.567 0.000 0.890 637 L HN 0.399 nan 8.230 nan 0.000 0.432 638 Q N -0.178 119.437 119.800 -0.308 0.000 2.050 638 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 638 Q C 1.490 177.498 176.000 0.013 0.000 0.980 638 Q CA 1.466 57.083 55.803 -0.310 0.000 0.840 638 Q CB -0.208 28.203 28.738 -0.545 0.000 0.898 638 Q HN 0.535 nan 8.270 nan 0.000 0.424 639 A N 0.178 123.011 122.820 0.020 0.000 3.105 639 A HA 0.164 4.484 4.320 0.000 0.000 0.272 639 A C -0.466 177.191 177.584 0.121 0.000 1.466 639 A CA 0.181 52.294 52.037 0.127 0.000 1.101 639 A CB -0.089 19.042 19.000 0.219 0.000 1.065 639 A HN 0.273 nan 8.150 nan 0.000 0.643 640 D N -1.588 118.878 120.400 0.111 0.000 1.698 640 D HA 0.007 4.647 4.640 0.000 0.000 0.570 640 D C 0.232 176.638 176.300 0.176 0.000 0.983 640 D CA -0.249 53.835 54.000 0.140 0.000 1.141 640 D CB -0.122 40.764 40.800 0.143 0.000 1.773 640 D HN 0.396 nan 8.370 nan 0.000 0.504 641 N N 0.874 119.702 118.700 0.213 0.000 2.365 641 N HA 0.208 4.948 4.740 0.000 0.000 0.265 641 N C -0.108 175.470 175.510 0.115 0.000 1.288 641 N CA 0.527 53.718 53.050 0.235 0.000 0.869 641 N CB 0.928 39.575 38.487 0.267 0.000 1.071 641 N HN 0.174 nan 8.380 nan 0.000 0.480 642 A N 2.620 125.461 122.820 0.035 0.000 2.630 642 A HA 0.475 4.795 4.320 0.000 0.000 0.290 642 A C 0.644 178.207 177.584 -0.034 0.000 1.267 642 A CA -0.037 52.002 52.037 0.003 0.000 0.950 642 A CB -0.416 18.574 19.000 -0.016 0.000 1.144 642 A HN 0.664 nan 8.150 nan 0.000 0.527 643 G N -0.418 108.364 108.800 -0.030 0.000 2.735 643 G HA2 0.579 4.539 3.960 0.000 0.000 0.301 643 G HA3 0.579 4.539 3.960 0.000 0.000 0.301 643 G C -1.802 173.017 174.900 -0.136 0.000 1.279 643 G CA -1.104 43.931 45.100 -0.107 0.000 1.019 643 G HN -0.015 nan 8.290 nan 0.000 0.497 644 P HA 0.114 nan 4.420 nan 0.000 0.255 644 P C -0.392 176.806 177.300 -0.169 0.000 1.248 644 P CA 0.146 63.106 63.100 -0.234 0.000 0.807 644 P CB 0.230 31.778 31.700 -0.253 0.000 1.150 645 H N 2.713 121.819 119.070 0.060 0.000 2.580 645 H HA 0.264 4.820 4.556 0.000 0.000 0.322 645 H C -1.997 173.402 175.328 0.119 0.000 1.082 645 H CA -2.662 53.436 56.048 0.084 0.000 1.383 645 H CB 0.306 30.122 29.762 0.090 0.000 1.450 645 H HN 0.206 nan 8.280 nan 0.000 0.505 646 P HA 0.062 nan 4.420 nan 0.000 0.275 646 P C -0.572 176.850 177.300 0.203 0.000 1.228 646 P CA -0.532 62.680 63.100 0.186 0.000 0.786 646 P CB 1.235 32.882 31.700 -0.088 0.000 0.927 647 Q N 2.503 122.393 119.800 0.149 0.000 2.363 647 Q HA 0.503 4.843 4.340 0.000 0.000 0.265 647 Q C -0.253 175.626 176.000 -0.201 0.000 1.032 647 Q CA -0.405 55.358 55.803 -0.065 0.000 0.746 647 Q CB 1.687 30.301 28.738 -0.207 0.000 1.237 647 Q HN 0.494 nan 8.270 nan 0.000 0.475 648 L N 1.895 123.016 121.223 -0.169 0.000 2.279 648 L HA 0.704 5.044 4.340 0.000 0.000 0.262 648 L C -0.231 176.515 176.870 -0.206 0.000 1.019 648 L CA -1.210 53.503 54.840 -0.212 0.000 0.823 648 L CB 2.050 43.956 42.059 -0.253 0.000 1.358 648 L HN 0.482 nan 8.230 nan 0.000 0.432 649 I N 0.916 121.370 120.570 -0.192 0.000 2.607 649 I HA 0.438 4.609 4.170 0.000 0.000 0.290 649 I C -1.177 174.857 176.117 -0.139 0.000 1.129 649 I CA -0.490 60.729 61.300 -0.135 0.000 1.042 649 I CB 2.091 40.042 38.000 -0.082 0.000 1.242 649 I HN 0.645 nan 8.210 nan 0.000 0.421 650 R N 7.315 127.752 120.500 -0.105 0.000 2.343 650 R HA 0.640 4.980 4.340 0.000 0.000 0.320 650 R C -1.833 174.440 176.300 -0.046 0.000 0.956 650 R CA -0.584 55.460 56.100 -0.094 0.000 0.836 650 R CB 1.210 31.446 30.300 -0.107 0.000 1.151 650 R HN 0.585 nan 8.270 nan 0.000 0.450 651 I N 3.761 124.308 120.570 -0.039 0.000 2.354 651 I HA 0.211 4.382 4.170 0.000 0.000 0.286 651 I C 0.118 176.218 176.117 -0.028 0.000 1.007 651 I CA -0.493 60.810 61.300 0.006 0.000 1.167 651 I CB 1.571 39.605 38.000 0.057 0.000 1.320 651 I HN 0.413 nan 8.210 nan 0.000 0.458 652 E N 4.308 124.489 120.200 -0.031 0.000 2.398 652 E HA 0.322 4.672 4.350 0.000 0.000 0.263 652 E C 0.223 176.793 176.600 -0.049 0.000 1.046 652 E CA 0.170 56.545 56.400 -0.042 0.000 0.908 652 E CB 1.140 30.817 29.700 -0.039 0.000 0.963 652 E HN 0.734 nan 8.360 nan 0.000 0.431 663 V N -1.333 118.505 119.914 -0.127 0.000 2.469 663 V HA -0.159 3.961 4.120 0.000 0.000 0.251 663 V C 1.855 177.688 176.094 -0.435 0.000 1.064 663 V CA 2.286 64.405 62.300 -0.302 0.000 1.066 663 V CB -1.638 29.995 31.823 -0.317 0.000 0.667 663 V HN 0.723 nan 8.190 nan 0.000 0.461 664 A N 0.682 123.341 122.820 -0.268 0.000 1.917 664 A HA -0.253 4.067 4.320 0.000 0.000 0.219 664 A C 2.355 179.805 177.584 -0.222 0.000 1.182 664 A CA 2.469 54.368 52.037 -0.229 0.000 0.633 664 A CB -0.632 18.290 19.000 -0.131 0.000 0.819 664 A HN 0.638 nan 8.150 nan 0.000 0.448 665 K N -0.727 119.566 120.400 -0.179 0.000 2.155 665 K HA 0.076 4.396 4.320 0.000 0.000 0.203 665 K C 1.814 178.306 176.600 -0.181 0.000 1.052 665 K CA 1.006 57.206 56.287 -0.145 0.000 0.948 665 K CB -0.259 32.183 32.500 -0.097 0.000 0.728 665 K HN 0.480 nan 8.250 nan 0.000 0.448 666 L N 0.649 121.721 121.223 -0.251 0.000 2.109 666 L HA -0.120 4.221 4.340 0.000 0.000 0.207 666 L C 2.242 178.868 176.870 -0.407 0.000 1.086 666 L CA 0.884 55.564 54.840 -0.267 0.000 0.760 666 L CB -0.264 41.652 42.059 -0.239 0.000 0.910 666 L HN 0.150 nan 8.230 nan 0.000 0.437 667 I N -0.245 119.959 120.570 -0.610 0.000 2.202 667 I HA -0.269 3.901 4.170 0.000 0.000 0.242 667 I C 2.573 178.559 176.117 -0.218 0.000 1.091 667 I CA 1.121 62.112 61.300 -0.516 0.000 1.368 667 I CB -0.128 37.572 38.000 -0.500 0.000 1.058 667 I HN 0.225 nan 8.210 nan 0.000 0.410 668 E N 0.885 120.974 120.200 -0.184 0.000 2.118 668 E HA -0.298 4.052 4.350 0.000 0.000 0.195 668 E C 2.107 178.650 176.600 -0.095 0.000 0.992 668 E CA 1.496 57.832 56.400 -0.106 0.000 0.804 668 E CB -0.146 29.496 29.700 -0.096 0.000 0.741 668 E HN 0.412 nan 8.360 nan 0.000 0.458 669 Q N -0.604 119.123 119.800 -0.121 0.000 2.079 669 Q HA -0.108 4.232 4.340 0.000 0.000 0.200 669 Q C 2.089 178.002 176.000 -0.144 0.000 0.974 669 Q CA 1.708 57.443 55.803 -0.113 0.000 0.840 669 Q CB -0.089 28.586 28.738 -0.105 0.000 0.898 669 Q HN 0.212 nan 8.270 nan 0.000 0.430 670 S N 0.382 115.983 115.700 -0.165 0.000 2.383 670 S HA -0.091 4.379 4.470 0.000 0.000 0.227 670 S C 1.919 176.348 174.600 -0.285 0.000 1.026 670 S CA 0.870 58.889 58.200 -0.301 0.000 0.981 670 S CB -0.229 62.898 63.200 -0.123 0.000 0.818 670 S HN 0.557 nan 8.310 nan 0.000 0.472 671 A N 1.952 124.737 122.820 -0.057 0.000 1.930 671 A HA -0.142 4.178 4.320 0.000 0.000 0.217 671 A C 1.783 179.417 177.584 0.083 0.000 1.175 671 A CA 1.605 53.688 52.037 0.076 0.000 0.627 671 A CB -0.564 18.480 19.000 0.073 0.000 0.815 671 A HN 0.332 nan 8.150 nan 0.000 0.443 672 D N -0.038 120.372 120.400 0.016 0.000 2.144 672 D HA -0.074 4.566 4.640 0.000 0.000 0.200 672 D C 1.852 178.213 176.300 0.103 0.000 0.978 672 D CA 0.966 54.996 54.000 0.051 0.000 0.833 672 D CB -0.263 40.530 40.800 -0.010 0.000 0.961 672 D HN 0.526 nan 8.370 nan 0.000 0.470 673 I N 0.079 120.641 120.570 -0.013 0.000 2.252 673 I HA -0.270 3.901 4.170 0.000 0.000 0.245 673 I C 2.023 178.253 176.117 0.188 0.000 1.102 673 I CA 0.857 62.164 61.300 0.012 0.000 1.385 673 I CB -0.158 37.716 38.000 -0.211 0.000 1.064 673 I HN -0.013 nan 8.210 nan 0.000 0.414 674 Y N 0.800 121.219 120.300 0.198 0.000 2.263 674 Y HA -0.055 4.495 4.550 0.000 0.000 0.292 674 Y C 2.624 178.762 175.900 0.397 0.000 1.130 674 Y CA 0.489 58.765 58.100 0.293 0.000 1.179 674 Y CB -1.236 37.441 38.460 0.363 0.000 0.998 674 Y HN 0.090 nan 8.280 nan 0.000 0.532 675 A N -0.039 123.089 122.820 0.513 0.000 1.855 675 A HA -0.207 4.114 4.320 0.000 0.000 0.215 675 A C 2.165 180.056 177.584 0.512 0.000 1.191 675 A CA 1.463 53.804 52.037 0.506 0.000 0.613 675 A CB -1.407 17.787 19.000 0.324 0.000 0.829 675 A HN 0.386 nan 8.150 nan 0.000 0.442 676 F N 1.643 121.773 119.950 0.299 0.000 2.091 676 F HA -0.206 4.321 4.527 0.000 0.000 0.299 676 F C 2.470 178.501 175.800 0.386 0.000 1.103 676 F CA 2.403 60.597 58.000 0.325 0.000 1.228 676 F CB -0.836 38.309 39.000 0.241 0.000 0.984 676 F HN 0.230 nan 8.300 nan 0.000 0.477 677 T N 1.688 116.457 114.554 0.358 0.000 2.622 677 T HA -0.218 4.133 4.350 0.000 0.000 0.266 677 T C 2.164 177.045 174.700 0.301 0.000 1.047 677 T CA 2.035 64.287 62.100 0.253 0.000 1.159 677 T CB -0.698 68.367 68.868 0.328 0.000 0.863 677 T HN 0.261 nan 8.240 nan 0.000 0.422 678 L N -0.529 120.964 121.223 0.450 0.000 2.046 678 L HA -0.102 4.238 4.340 0.000 0.000 0.208 678 L C 2.434 179.636 176.870 0.553 0.000 1.077 678 L CA 1.477 56.597 54.840 0.466 0.000 0.747 678 L CB -0.622 41.582 42.059 0.241 0.000 0.896 678 L HN 0.249 nan 8.230 nan 0.000 0.432 679 Y N 1.068 121.605 120.300 0.395 0.000 2.145 679 Y HA -0.155 4.396 4.550 0.000 0.000 0.286 679 Y C 1.846 177.816 175.900 0.117 0.000 1.145 679 Y CA 0.977 59.244 58.100 0.278 0.000 1.148 679 Y CB -0.015 38.520 38.460 0.126 0.000 0.981 679 Y HN 0.126 nan 8.280 nan 0.000 0.507 683 Y N 1.013 121.346 120.300 0.056 0.000 2.335 683 Y HA 0.462 5.013 4.550 0.000 0.000 0.331 683 Y C 1.752 177.823 175.900 0.284 0.000 1.094 683 Y CA -0.117 58.053 58.100 0.116 0.000 1.253 683 Y CB 1.240 39.729 38.460 0.048 0.000 1.203 683 Y HN 0.016 nan 8.280 nan 0.000 0.508 684 R N 0.717 121.435 120.500 0.364 0.000 2.156 684 R HA 0.094 4.434 4.340 0.000 0.000 0.207 684 R C -0.138 176.435 176.300 0.456 0.000 1.040 684 R CA 0.598 56.907 56.100 0.349 0.000 1.013 684 R CB 0.440 30.850 30.300 0.183 0.000 0.931 684 R HN 0.590 nan 8.270 nan 0.000 0.465 685 E N 0.165 120.556 120.200 0.318 0.000 2.410 685 E HA 0.283 4.634 4.350 0.000 0.000 0.269 685 E C -0.738 175.767 176.600 -0.159 0.000 0.937 685 E CA -0.821 55.677 56.400 0.165 0.000 0.793 685 E CB 1.499 31.263 29.700 0.107 0.000 1.314 685 E HN -0.024 nan 8.360 nan 0.000 0.447 686 L N 2.253 123.277 121.223 -0.331 0.000 2.453 686 L HA 0.074 4.414 4.340 0.000 0.000 0.272 686 L C -1.310 175.331 176.870 -0.382 0.000 1.182 686 L CA -1.168 53.366 54.840 -0.511 0.000 0.858 686 L CB -0.036 41.814 42.059 -0.347 0.000 1.120 686 L HN 0.244 nan 8.230 nan 0.000 0.474 687 P HA -0.146 nan 4.420 nan 0.000 0.217 687 P C -0.136 177.027 177.300 -0.228 0.000 1.148 687 P CA 1.359 64.207 63.100 -0.420 0.000 0.828 687 P CB 0.154 31.484 31.700 -0.616 0.000 0.783 688 R N -0.683 119.671 120.500 -0.244 0.000 2.548 688 R HA 0.181 4.522 4.340 0.000 0.000 0.280 688 R C -0.987 175.236 176.300 -0.128 0.000 1.061 688 R CA -0.644 55.365 56.100 -0.152 0.000 0.915 688 R CB 1.043 31.258 30.300 -0.142 0.000 1.210 688 R HN -0.230 nan 8.270 nan 0.000 0.442 689 Q N 5.178 124.932 119.800 -0.077 0.000 2.307 689 Q HA 0.199 4.540 4.340 0.000 0.000 0.261 689 Q C -1.777 174.204 176.000 -0.031 0.000 1.051 689 Q CA -1.378 54.396 55.803 -0.048 0.000 0.911 689 Q CB 1.059 29.782 28.738 -0.024 0.000 1.227 689 Q HN 0.532 nan 8.270 nan 0.000 0.418 690 P HA 0.000 nan 4.420 nan 0.000 0.216 690 P CA 0.000 63.108 63.100 0.012 0.000 0.800 690 P CB 0.000 31.721 31.700 0.036 0.000 0.726