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 3iul_1_A DATA FIRST_RESID 7 DATA SEQUENCE LHYPVTRQGE QVDHYFGQAV ADPYRWLEDD RSPETEAWVK AQNAVTQDYL DATA SEQUENCE AQIPYRAAIK EKLAASWNYA KEGAPFREGR YHYFFKNDGL QNQNVLWRQQ DATA SEQUENCE EGKPAEVFLD PNTLSPDGTT ALDQLSFSRD GRILAYSLSL AGSDWREIHL DATA SEQUENCE XDVESKQPLE TPLKDVKFSG ISWLGNEGFF YSSYDKPDXX XXXARTDQHK 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 PR 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 0.000 176.569 176.870 -0.502 0.000 1.165 7 L CA 0.000 54.553 54.840 -0.477 0.000 0.813 7 L CB 0.000 41.606 42.059 -0.754 0.000 0.961 8 H N 0.717 119.619 119.070 -0.280 0.000 2.410 8 H HA 0.342 4.953 4.556 0.093 0.000 0.232 8 H C -1.111 174.149 175.328 -0.114 0.000 1.535 8 H CA -0.651 55.296 56.048 -0.167 0.000 1.310 8 H CB -0.601 29.118 29.762 -0.073 0.000 1.518 8 H HN 0.245 nan 8.280 nan 0.000 0.545 9 Y N 1.632 121.900 120.300 -0.053 0.000 2.578 9 Y HA 0.153 4.759 4.550 0.092 0.000 0.339 9 Y C -1.546 174.336 175.900 -0.029 0.000 1.231 9 Y CA -1.823 56.231 58.100 -0.077 0.000 1.461 9 Y CB -0.167 38.251 38.460 -0.070 0.000 1.323 9 Y HN 0.360 nan 8.280 nan 0.000 0.590 10 P HA 0.082 nan 4.420 nan 0.000 0.272 10 P C -0.742 176.639 177.300 0.134 0.000 1.230 10 P CA -0.433 62.699 63.100 0.053 0.000 0.788 10 P CB 0.536 32.175 31.700 -0.102 0.000 0.949 11 V N 2.096 122.101 119.914 0.151 0.000 2.655 11 V HA 0.100 4.276 4.120 0.092 0.000 0.300 11 V C 0.444 176.718 176.094 0.300 0.000 1.044 11 V CA 0.808 63.222 62.300 0.189 0.000 1.095 11 V CB 0.425 32.336 31.823 0.147 0.000 0.952 11 V HN 0.569 nan 8.190 nan 0.000 0.485 12 T N 6.302 121.047 114.554 0.319 0.000 2.833 12 T HA 0.331 4.737 4.350 0.092 0.000 0.297 12 T C 0.027 174.994 174.700 0.444 0.000 1.015 12 T CA -0.495 61.864 62.100 0.431 0.000 0.963 12 T CB 0.565 69.583 68.868 0.250 0.000 0.955 12 T HN 0.692 nan 8.240 nan 0.000 0.449 13 R N 2.855 123.624 120.500 0.448 0.000 2.640 13 R HA 0.098 4.494 4.340 0.092 0.000 0.270 13 R C -0.388 176.210 176.300 0.495 0.000 1.024 13 R CA 0.253 56.523 56.100 0.282 0.000 1.085 13 R CB 0.423 30.664 30.300 -0.098 0.000 0.963 13 R HN 0.590 nan 8.270 nan 0.000 0.426 14 Q N 1.942 121.901 119.800 0.264 0.000 2.333 14 Q HA 0.367 4.762 4.340 0.092 0.000 0.265 14 Q C -0.118 175.921 176.000 0.064 0.000 0.989 14 Q CA -0.663 55.220 55.803 0.133 0.000 0.842 14 Q CB 2.292 31.049 28.738 0.032 0.000 1.262 14 Q HN 0.843 nan 8.270 nan 0.000 0.451 15 G N 1.113 109.956 108.800 0.071 0.000 2.557 15 G HA2 0.224 4.240 3.960 0.092 0.000 0.302 15 G HA3 0.224 4.240 3.960 0.092 0.000 0.302 15 G C -0.093 174.806 174.900 -0.001 0.000 1.311 15 G CA -0.485 44.643 45.100 0.045 0.000 1.030 15 G HN 0.670 nan 8.290 nan 0.000 0.509 16 E N -0.650 119.552 120.200 0.003 0.000 2.499 16 E HA 0.058 4.464 4.350 0.092 0.000 0.199 16 E C 0.207 176.803 176.600 -0.007 0.000 1.016 16 E CA -0.315 56.081 56.400 -0.008 0.000 0.933 16 E CB 0.745 30.443 29.700 -0.004 0.000 1.050 16 E HN 0.386 nan 8.360 nan 0.000 0.462 17 Q N 1.531 121.331 119.800 0.000 0.000 2.286 17 Q HA 0.050 4.445 4.340 0.092 0.000 0.290 17 Q C -0.940 175.042 176.000 -0.030 0.000 1.049 17 Q CA 0.421 56.222 55.803 -0.004 0.000 0.923 17 Q CB 0.712 29.459 28.738 0.015 0.000 1.183 17 Q HN -0.072 nan 8.270 nan 0.000 0.383 18 V N 5.130 125.011 119.914 -0.054 0.000 2.525 18 V HA 0.379 4.554 4.120 0.092 0.000 0.299 18 V C -0.795 175.148 176.094 -0.251 0.000 1.034 18 V CA -0.923 61.298 62.300 -0.131 0.000 0.863 18 V CB 2.078 33.827 31.823 -0.124 0.000 0.999 18 V HN 0.856 nan 8.190 nan 0.000 0.423 19 D N 2.379 122.596 120.400 -0.305 0.000 2.217 19 D HA 0.510 5.206 4.640 0.092 0.000 0.248 19 D C -0.720 175.115 176.300 -0.775 0.000 1.008 19 D CA -0.351 53.388 54.000 -0.435 0.000 0.914 19 D CB 1.508 42.137 40.800 -0.285 0.000 1.182 19 D HN 0.521 nan 8.370 nan 0.000 0.451 20 H N 0.937 119.661 119.070 -0.577 0.000 2.589 20 H HA 0.308 4.919 4.556 0.093 0.000 0.351 20 H C -0.950 173.864 175.328 -0.856 0.000 1.074 20 H CA -0.369 55.371 56.048 -0.513 0.000 1.203 20 H CB 1.204 30.781 29.762 -0.310 0.000 1.558 20 H HN 0.343 nan 8.280 nan 0.000 0.522 21 Y N 1.418 121.510 120.300 -0.346 0.000 2.329 21 Y HA 0.169 4.774 4.550 0.093 0.000 0.328 21 Y C -0.080 175.494 175.900 -0.542 0.000 0.992 21 Y CA -1.130 56.554 58.100 -0.693 0.000 1.151 21 Y CB 0.761 38.412 38.460 -1.348 0.000 1.150 21 Y HN 0.556 nan 8.280 nan 0.000 0.450 22 F N 1.893 121.718 119.950 -0.209 0.000 3.004 22 F HA -0.231 4.352 4.527 0.092 0.000 0.264 22 F C 1.461 177.224 175.800 -0.061 0.000 0.979 22 F CA 1.410 59.344 58.000 -0.110 0.000 0.896 22 F CB -1.443 37.514 39.000 -0.071 0.000 0.813 22 F HN 0.949 nan 8.300 nan 0.000 0.804 23 G N -0.822 107.982 108.800 0.006 0.000 2.234 23 G HA2 -0.368 3.647 3.960 0.092 0.000 0.260 23 G HA3 -0.368 3.647 3.960 0.092 0.000 0.260 23 G C 0.219 175.183 174.900 0.107 0.000 0.987 23 G CA 0.309 45.436 45.100 0.044 0.000 0.625 23 G HN 0.660 nan 8.290 nan 0.000 0.532 24 Q N 0.796 120.663 119.800 0.113 0.000 2.274 24 Q HA 0.665 5.061 4.340 0.092 0.000 0.256 24 Q C 0.306 176.391 176.000 0.143 0.000 0.927 24 Q CA 0.090 55.994 55.803 0.169 0.000 0.939 24 Q CB 0.994 29.903 28.738 0.286 0.000 1.201 24 Q HN 0.750 nan 8.270 nan 0.000 0.426 25 A N 3.442 126.333 122.820 0.119 0.000 2.331 25 A HA 0.584 4.960 4.320 0.092 0.000 0.283 25 A C -0.912 176.665 177.584 -0.013 0.000 1.142 25 A CA -0.457 51.520 52.037 -0.101 0.000 0.812 25 A CB 0.978 19.944 19.000 -0.057 0.000 1.074 25 A HN 0.545 nan 8.150 nan 0.000 0.497 26 V N 2.017 121.896 119.914 -0.058 0.000 2.482 26 V HA 0.556 4.731 4.120 0.092 0.000 0.295 26 V C 0.508 176.618 176.094 0.025 0.000 1.026 26 V CA -0.483 61.862 62.300 0.076 0.000 0.856 26 V CB 1.247 33.207 31.823 0.229 0.000 1.001 26 V HN 1.236 nan 8.190 nan 0.000 0.424 27 A N 2.892 125.730 122.820 0.031 0.000 2.425 27 A HA 0.548 4.923 4.320 0.092 0.000 0.249 27 A C -0.033 177.567 177.584 0.026 0.000 1.084 27 A CA 0.111 52.148 52.037 0.001 0.000 0.781 27 A CB 0.190 19.183 19.000 -0.013 0.000 1.019 27 A HN 0.885 nan 8.150 nan 0.000 0.490 28 D N 2.206 122.599 120.400 -0.011 0.000 2.513 28 D HA 0.323 5.019 4.640 0.092 0.000 0.295 28 D C -1.597 174.635 176.300 -0.114 0.000 1.202 28 D CA -1.259 52.731 54.000 -0.018 0.000 0.849 28 D CB 0.915 41.746 40.800 0.052 0.000 1.116 28 D HN 0.234 nan 8.370 nan 0.000 0.502 29 P HA -0.149 nan 4.420 nan 0.000 0.221 29 P C 0.208 177.245 177.300 -0.438 0.000 1.145 29 P CA 0.818 63.669 63.100 -0.416 0.000 0.795 29 P CB 0.075 31.390 31.700 -0.641 0.000 0.775 30 Y N -0.814 119.446 120.300 -0.067 0.000 2.708 30 Y HA 0.323 4.929 4.550 0.092 0.000 0.287 30 Y C 2.200 177.856 175.900 -0.407 0.000 1.145 30 Y CA -0.870 57.027 58.100 -0.338 0.000 1.249 30 Y CB -0.657 37.549 38.460 -0.423 0.000 1.152 30 Y HN -0.211 nan 8.280 nan 0.000 0.532 31 R N 1.572 122.035 120.500 -0.062 0.000 2.117 31 R HA -0.180 4.215 4.340 0.092 0.000 0.243 31 R C 1.953 178.239 176.300 -0.022 0.000 1.143 31 R CA 2.287 58.380 56.100 -0.011 0.000 0.968 31 R CB -0.790 29.547 30.300 0.061 0.000 0.863 31 R HN 0.632 nan 8.270 nan 0.000 0.444 32 W N -0.187 121.103 121.300 -0.016 0.000 2.392 32 W HA -0.099 4.617 4.660 0.093 0.000 0.279 32 W C 0.993 177.479 176.519 -0.055 0.000 1.225 32 W CA 0.342 57.669 57.345 -0.030 0.000 1.233 32 W CB -0.869 28.572 29.460 -0.031 0.000 1.122 32 W HN 0.085 nan 8.180 nan 0.000 0.561 33 L N 1.165 121.885 121.223 -0.839 0.000 2.551 33 L HA -0.082 4.314 4.340 0.092 0.000 0.228 33 L C 2.388 179.076 176.870 -0.303 0.000 1.153 33 L CA 1.001 55.372 54.840 -0.782 0.000 0.851 33 L CB -0.439 40.930 42.059 -1.150 0.000 0.959 33 L HN 0.004 nan 8.230 nan 0.000 0.451 34 E N -0.456 119.593 120.200 -0.251 0.000 2.268 34 E HA -0.173 4.233 4.350 0.092 0.000 0.195 34 E C 0.459 176.946 176.600 -0.190 0.000 0.995 34 E CA 0.425 56.654 56.400 -0.284 0.000 0.836 34 E CB 0.049 29.621 29.700 -0.214 0.000 0.763 34 E HN 0.256 nan 8.360 nan 0.000 0.491 35 D N 1.473 121.842 120.400 -0.050 0.000 2.468 35 D HA -0.043 4.653 4.640 0.092 0.000 0.218 35 D C 0.398 176.752 176.300 0.089 0.000 1.155 35 D CA -0.216 53.797 54.000 0.021 0.000 0.924 35 D CB 0.307 41.152 40.800 0.075 0.000 1.029 35 D HN 0.091 nan 8.370 nan 0.000 0.515 36 D N 2.451 122.907 120.400 0.093 0.000 2.378 36 D HA -0.117 4.579 4.640 0.092 0.000 0.227 36 D C 0.877 177.373 176.300 0.327 0.000 1.012 36 D CA 0.121 54.266 54.000 0.242 0.000 0.905 36 D CB 0.295 41.200 40.800 0.175 0.000 0.895 36 D HN 0.361 nan 8.370 nan 0.000 0.532 37 R N 0.652 121.288 120.500 0.228 0.000 2.437 37 R HA 0.089 4.484 4.340 0.092 0.000 0.257 37 R C 0.699 177.091 176.300 0.152 0.000 0.927 37 R CA -0.142 56.081 56.100 0.205 0.000 1.078 37 R CB 0.819 31.165 30.300 0.078 0.000 1.161 37 R HN 0.116 nan 8.270 nan 0.000 0.529 38 S N 0.537 116.330 115.700 0.155 0.000 2.585 38 S HA 0.184 4.709 4.470 0.092 0.000 0.273 38 S C -1.860 172.826 174.600 0.144 0.000 1.339 38 S CA -1.193 57.088 58.200 0.135 0.000 1.028 38 S CB 1.442 64.734 63.200 0.153 0.000 0.906 38 S HN -0.205 nan 8.310 nan 0.000 0.528 39 P HA -0.091 nan 4.420 nan 0.000 0.216 39 P C 1.387 178.758 177.300 0.118 0.000 1.150 39 P CA 1.142 64.301 63.100 0.097 0.000 0.837 39 P CB 0.075 31.811 31.700 0.061 0.000 0.786 40 E N -0.968 119.305 120.200 0.121 0.000 2.077 40 E HA -0.142 4.263 4.350 0.092 0.000 0.193 40 E C 1.550 178.351 176.600 0.335 0.000 0.989 40 E CA 1.524 58.007 56.400 0.137 0.000 0.800 40 E CB -0.318 29.372 29.700 -0.016 0.000 0.746 40 E HN 0.124 nan 8.360 nan 0.000 0.452 41 T N 0.893 115.672 114.554 0.376 0.000 2.777 41 T HA -0.118 4.288 4.350 0.092 0.000 0.266 41 T C 1.474 176.318 174.700 0.240 0.000 1.040 41 T CA 1.308 63.602 62.100 0.324 0.000 1.141 41 T CB -0.164 68.833 68.868 0.216 0.000 0.868 41 T HN 0.274 nan 8.240 nan 0.000 0.444 42 E N 1.155 121.475 120.200 0.200 0.000 2.153 42 E HA -0.057 4.348 4.350 0.092 0.000 0.194 42 E C 2.529 179.202 176.600 0.122 0.000 0.988 42 E CA 0.938 57.427 56.400 0.147 0.000 0.811 42 E CB -0.184 29.603 29.700 0.146 0.000 0.746 42 E HN 0.482 nan 8.360 nan 0.000 0.466 43 A N 0.958 123.867 122.820 0.148 0.000 1.898 43 A HA -0.173 4.202 4.320 0.092 0.000 0.216 43 A C 1.861 179.529 177.584 0.140 0.000 1.181 43 A CA 1.076 53.184 52.037 0.117 0.000 0.620 43 A CB -0.951 18.116 19.000 0.111 0.000 0.819 43 A HN 0.494 nan 8.150 nan 0.000 0.442 44 W N 0.655 121.963 121.300 0.014 0.000 2.338 44 W HA -0.190 4.525 4.660 0.092 0.000 0.304 44 W C 1.942 178.366 176.519 -0.157 0.000 1.212 44 W CA 2.274 59.603 57.345 -0.028 0.000 1.264 44 W CB -0.303 29.176 29.460 0.033 0.000 1.142 44 W HN 0.104 nan 8.180 nan 0.000 0.512 45 V N 1.250 121.173 119.914 0.015 0.000 2.332 45 V HA -0.365 3.810 4.120 0.092 0.000 0.248 45 V C 2.452 178.401 176.094 -0.241 0.000 1.055 45 V CA 2.478 64.637 62.300 -0.236 0.000 1.038 45 V CB -1.041 30.706 31.823 -0.126 0.000 0.651 45 V HN 0.233 nan 8.190 nan 0.000 0.450 46 K N -0.056 120.271 120.400 -0.121 0.000 2.057 46 K HA -0.155 4.220 4.320 0.092 0.000 0.207 46 K C 2.189 178.705 176.600 -0.140 0.000 1.049 46 K CA 1.489 57.717 56.287 -0.099 0.000 0.931 46 K CB -0.323 32.155 32.500 -0.036 0.000 0.714 46 K HN 0.431 nan 8.250 nan 0.000 0.440 47 A N 0.948 123.666 122.820 -0.169 0.000 1.902 47 A HA -0.175 4.201 4.320 0.092 0.000 0.217 47 A C 2.082 179.499 177.584 -0.278 0.000 1.181 47 A CA 1.241 53.170 52.037 -0.181 0.000 0.623 47 A CB -0.473 18.432 19.000 -0.158 0.000 0.818 47 A HN 0.345 nan 8.150 nan 0.000 0.443 48 Q N -0.011 119.485 119.800 -0.506 0.000 2.084 48 Q HA -0.172 4.224 4.340 0.092 0.000 0.202 48 Q C 1.805 177.611 176.000 -0.322 0.000 0.978 48 Q CA 1.839 57.309 55.803 -0.554 0.000 0.844 48 Q CB -0.642 27.511 28.738 -0.976 0.000 0.898 48 Q HN 0.831 nan 8.270 nan 0.000 0.426 49 N N 0.190 118.729 118.700 -0.268 0.000 2.166 49 N HA -0.121 4.674 4.740 0.092 0.000 0.186 49 N C 1.714 177.159 175.510 -0.108 0.000 1.019 49 N CA 0.820 53.771 53.050 -0.164 0.000 0.856 49 N CB -0.004 38.407 38.487 -0.128 0.000 0.993 49 N HN 0.223 nan 8.380 nan 0.000 0.426 50 A N 0.521 123.281 122.820 -0.099 0.000 1.902 50 A HA -0.088 4.287 4.320 0.092 0.000 0.217 50 A C 2.334 179.906 177.584 -0.019 0.000 1.181 50 A CA 1.125 53.133 52.037 -0.048 0.000 0.623 50 A CB -0.662 18.315 19.000 -0.039 0.000 0.818 50 A HN 0.103 nan 8.150 nan 0.000 0.443 51 V N -0.410 119.482 119.914 -0.037 0.000 2.358 51 V HA -0.194 3.981 4.120 0.092 0.000 0.246 51 V C 2.728 178.824 176.094 0.005 0.000 1.047 51 V CA 2.390 64.689 62.300 -0.002 0.000 1.035 51 V CB -1.150 30.651 31.823 -0.038 0.000 0.658 51 V HN 0.597 nan 8.190 nan 0.000 0.452 52 T N -0.840 113.685 114.554 -0.048 0.000 2.746 52 T HA -0.201 4.204 4.350 0.092 0.000 0.267 52 T C 1.995 176.710 174.700 0.025 0.000 1.039 52 T CA 1.231 63.308 62.100 -0.038 0.000 1.142 52 T CB -0.239 68.557 68.868 -0.119 0.000 0.866 52 T HN 0.358 nan 8.240 nan 0.000 0.444 53 Q N 0.834 120.633 119.800 -0.002 0.000 2.124 53 Q HA -0.104 4.292 4.340 0.092 0.000 0.202 53 Q C 2.115 178.133 176.000 0.029 0.000 0.977 53 Q CA 1.413 57.220 55.803 0.006 0.000 0.850 53 Q CB -0.613 28.116 28.738 -0.015 0.000 0.901 53 Q HN 0.593 nan 8.270 nan 0.000 0.429 54 D N -0.624 119.807 120.400 0.050 0.000 2.144 54 D HA -0.189 4.507 4.640 0.092 0.000 0.199 54 D C 1.769 178.108 176.300 0.064 0.000 0.984 54 D CA 0.778 54.814 54.000 0.060 0.000 0.834 54 D CB -0.109 40.756 40.800 0.108 0.000 0.955 54 D HN 0.237 nan 8.370 nan 0.000 0.465 55 Y N 0.516 120.816 120.300 0.000 0.000 2.163 55 Y HA -0.062 4.543 4.550 0.092 0.000 0.288 55 Y C 1.953 177.833 175.900 -0.033 0.000 1.136 55 Y CA 1.411 59.517 58.100 0.010 0.000 1.147 55 Y CB -0.118 38.370 38.460 0.046 0.000 0.987 55 Y HN 0.012 nan 8.280 nan 0.000 0.509 56 L N -0.609 120.690 121.223 0.127 0.000 2.141 56 L HA -0.172 4.223 4.340 0.092 0.000 0.209 56 L C 2.636 179.439 176.870 -0.111 0.000 1.094 56 L CA 0.929 55.786 54.840 0.028 0.000 0.763 56 L CB -0.837 41.260 42.059 0.063 0.000 0.908 56 L HN 0.290 nan 8.230 nan 0.000 0.437 57 A N -0.626 122.141 122.820 -0.087 0.000 2.125 57 A HA -0.166 4.210 4.320 0.092 0.000 0.219 57 A C 2.075 179.560 177.584 -0.165 0.000 1.156 57 A CA 1.046 53.023 52.037 -0.101 0.000 0.671 57 A CB -0.207 18.758 19.000 -0.058 0.000 0.794 57 A HN 0.429 nan 8.150 nan 0.000 0.459 58 Q N -0.412 119.232 119.800 -0.260 0.000 2.451 58 Q HA 0.182 4.577 4.340 0.092 0.000 0.206 58 Q C 0.146 175.870 176.000 -0.460 0.000 0.947 58 Q CA 0.268 55.882 55.803 -0.315 0.000 0.937 58 Q CB -0.122 28.401 28.738 -0.357 0.000 1.025 58 Q HN 0.695 nan 8.270 nan 0.000 0.511 59 I N 3.283 123.511 120.570 -0.570 0.000 2.363 59 I HA 0.019 4.244 4.170 0.092 0.000 0.292 59 I C -1.358 174.462 176.117 -0.495 0.000 1.075 59 I CA -1.519 59.343 61.300 -0.731 0.000 1.333 59 I CB 0.807 38.398 38.000 -0.683 0.000 1.415 59 I HN -0.123 nan 8.210 nan 0.000 0.502 60 P HA -0.210 nan 4.420 nan 0.000 0.216 60 P C 0.712 177.927 177.300 -0.142 0.000 1.153 60 P CA 1.718 64.684 63.100 -0.223 0.000 0.858 60 P CB -0.045 31.606 31.700 -0.082 0.000 0.789 61 Y N -2.328 118.009 120.300 0.061 0.000 2.493 61 Y HA 0.442 5.047 4.550 0.092 0.000 0.275 61 Y C 2.082 178.027 175.900 0.075 0.000 1.183 61 Y CA -0.911 57.231 58.100 0.070 0.000 1.258 61 Y CB -1.135 37.377 38.460 0.086 0.000 1.108 61 Y HN -0.218 nan 8.280 nan 0.000 0.521 62 R N 1.430 121.950 120.500 0.033 0.000 2.073 62 R HA -0.131 4.264 4.340 0.092 0.000 0.234 62 R C 2.266 178.636 176.300 0.115 0.000 1.134 62 R CA 1.566 57.728 56.100 0.103 0.000 0.952 62 R CB -0.431 29.873 30.300 0.005 0.000 0.850 62 R HN 0.434 nan 8.270 nan 0.000 0.433 63 A N 0.666 123.529 122.820 0.071 0.000 1.933 63 A HA -0.093 4.283 4.320 0.092 0.000 0.218 63 A C 2.362 180.005 177.584 0.098 0.000 1.175 63 A CA 1.664 53.742 52.037 0.068 0.000 0.628 63 A CB -0.784 18.241 19.000 0.042 0.000 0.814 63 A HN 0.569 nan 8.150 nan 0.000 0.444 64 A N -0.077 122.818 122.820 0.126 0.000 1.898 64 A HA -0.057 4.319 4.320 0.092 0.000 0.216 64 A C 2.118 179.790 177.584 0.147 0.000 1.181 64 A CA 1.460 53.574 52.037 0.129 0.000 0.620 64 A CB -0.563 18.524 19.000 0.145 0.000 0.819 64 A HN 0.493 nan 8.150 nan 0.000 0.442 65 I N -0.572 120.113 120.570 0.192 0.000 2.226 65 I HA -0.263 3.962 4.170 0.092 0.000 0.245 65 I C 2.555 178.795 176.117 0.206 0.000 1.100 65 I CA 1.904 63.334 61.300 0.217 0.000 1.374 65 I CB -0.234 37.943 38.000 0.295 0.000 1.057 65 I HN 0.393 nan 8.210 nan 0.000 0.413 66 K N 1.157 121.658 120.400 0.169 0.000 2.097 66 K HA -0.254 4.121 4.320 0.092 0.000 0.206 66 K C 2.086 178.760 176.600 0.123 0.000 1.049 66 K CA 1.638 58.005 56.287 0.133 0.000 0.933 66 K CB -0.064 32.486 32.500 0.083 0.000 0.717 66 K HN 0.270 nan 8.250 nan 0.000 0.442 67 E N 0.770 121.037 120.200 0.111 0.000 2.051 67 E HA -0.247 4.159 4.350 0.092 0.000 0.192 67 E C 1.974 178.646 176.600 0.120 0.000 0.991 67 E CA 1.338 57.796 56.400 0.098 0.000 0.799 67 E CB 0.051 29.800 29.700 0.081 0.000 0.748 67 E HN 0.221 nan 8.360 nan 0.000 0.449 68 K N 0.245 120.729 120.400 0.139 0.000 2.057 68 K HA -0.136 4.240 4.320 0.092 0.000 0.206 68 K C 2.309 179.040 176.600 0.218 0.000 1.050 68 K CA 1.047 57.426 56.287 0.153 0.000 0.935 68 K CB -0.069 32.522 32.500 0.151 0.000 0.715 68 K HN 0.170 nan 8.250 nan 0.000 0.439 69 L N 0.413 121.795 121.223 0.265 0.000 2.017 69 L HA -0.185 4.210 4.340 0.092 0.000 0.208 69 L C 2.589 179.696 176.870 0.394 0.000 1.073 69 L CA 1.368 56.440 54.840 0.386 0.000 0.745 69 L CB -0.496 41.800 42.059 0.394 0.000 0.894 69 L HN 0.261 nan 8.230 nan 0.000 0.432 70 A N -0.142 122.818 122.820 0.233 0.000 1.902 70 A HA -0.176 4.199 4.320 0.092 0.000 0.217 70 A C 2.440 180.150 177.584 0.210 0.000 1.181 70 A CA 1.781 53.923 52.037 0.175 0.000 0.623 70 A CB -0.737 18.312 19.000 0.083 0.000 0.818 70 A HN 0.411 nan 8.150 nan 0.000 0.443 71 A N -0.242 122.683 122.820 0.176 0.000 2.119 71 A HA 0.075 4.450 4.320 0.092 0.000 0.217 71 A C 2.178 179.858 177.584 0.160 0.000 1.153 71 A CA 1.860 53.981 52.037 0.140 0.000 0.692 71 A CB -0.492 18.562 19.000 0.090 0.000 0.799 71 A HN 1.003 nan 8.150 nan 0.000 0.458 72 S N -2.995 112.842 115.700 0.228 0.000 2.539 72 S HA 0.003 4.528 4.470 0.092 0.000 0.221 72 S C 1.460 176.298 174.600 0.396 0.000 0.987 72 S CA -0.142 58.193 58.200 0.224 0.000 0.929 72 S CB -0.452 62.850 63.200 0.169 0.000 0.832 72 S HN 0.651 nan 8.310 nan 0.000 0.492 73 W N 3.137 124.578 121.300 0.235 0.000 2.381 73 W HA 0.171 4.887 4.660 0.094 0.000 0.301 73 W C -0.517 176.138 176.519 0.228 0.000 1.205 73 W CA 0.641 58.127 57.345 0.236 0.000 1.285 73 W CB -0.256 29.291 29.460 0.144 0.000 1.133 73 W HN 0.271 nan 8.180 nan 0.000 0.521 74 N N 0.418 119.361 118.700 0.405 0.000 2.430 74 N HA 0.221 5.017 4.740 0.092 0.000 0.292 74 N C -1.290 174.357 175.510 0.228 0.000 1.051 74 N CA -0.141 53.036 53.050 0.212 0.000 0.917 74 N CB 1.456 40.058 38.487 0.191 0.000 1.164 74 N HN -0.010 nan 8.380 nan 0.000 0.484 75 Y N -1.777 118.578 120.300 0.091 0.000 2.592 75 Y HA 0.680 5.284 4.550 0.091 0.000 0.334 75 Y C -0.770 175.154 175.900 0.040 0.000 1.136 75 Y CA -1.583 56.550 58.100 0.054 0.000 1.042 75 Y CB 0.346 38.831 38.460 0.043 0.000 1.325 75 Y HN 0.506 nan 8.280 nan 0.000 0.457 76 A N 2.949 125.877 122.820 0.180 0.000 2.483 76 A HA 0.582 4.958 4.320 0.092 0.000 0.238 76 A C -0.448 177.212 177.584 0.126 0.000 1.070 76 A CA -0.404 51.688 52.037 0.092 0.000 0.770 76 A CB 0.175 19.208 19.000 0.055 0.000 1.008 76 A HN 0.705 nan 8.150 nan 0.000 0.497 77 K N 0.618 121.052 120.400 0.057 0.000 2.435 77 K HA 0.617 4.993 4.320 0.092 0.000 0.251 77 K C -1.029 175.604 176.600 0.056 0.000 0.954 77 K CA -0.609 55.719 56.287 0.068 0.000 0.820 77 K CB 2.672 35.195 32.500 0.039 0.000 1.292 77 K HN 0.813 nan 8.250 nan 0.000 0.436 78 E N 0.359 120.589 120.200 0.051 0.000 2.331 78 E HA 0.436 4.842 4.350 0.092 0.000 0.275 78 E C -1.064 175.595 176.600 0.098 0.000 0.895 78 E CA -0.734 55.705 56.400 0.064 0.000 0.753 78 E CB 1.914 31.586 29.700 -0.046 0.000 1.216 78 E HN 0.750 nan 8.360 nan 0.000 0.434 79 G N 1.288 110.206 108.800 0.197 0.000 2.521 79 G HA2 0.622 4.637 3.960 0.092 0.000 0.323 79 G HA3 0.622 4.637 3.960 0.092 0.000 0.323 79 G C -0.524 174.468 174.900 0.153 0.000 1.211 79 G CA -0.238 44.983 45.100 0.203 0.000 0.979 79 G HN 0.599 nan 8.290 nan 0.000 0.490 80 A N 0.830 123.703 122.820 0.088 0.000 2.445 80 A HA 0.586 4.962 4.320 0.092 0.000 0.242 80 A C -1.794 175.784 177.584 -0.009 0.000 1.075 80 A CA -0.791 51.158 52.037 -0.147 0.000 0.777 80 A CB 0.076 18.989 19.000 -0.146 0.000 1.013 80 A HN 0.516 nan 8.150 nan 0.000 0.493 81 P HA 0.525 nan 4.420 nan 0.000 0.282 81 P C -1.222 176.189 177.300 0.186 0.000 1.249 81 P CA -0.001 63.104 63.100 0.008 0.000 0.806 81 P CB 0.821 32.448 31.700 -0.122 0.000 0.984 82 F N -0.385 119.652 119.950 0.146 0.000 2.578 82 F HA 0.742 5.350 4.527 0.135 0.000 0.311 82 F C -0.256 175.507 175.800 -0.062 0.000 1.094 82 F CA -1.851 56.190 58.000 0.068 0.000 0.923 82 F CB 1.281 40.319 39.000 0.064 0.000 1.230 82 F HN 0.087 nan 8.300 nan 0.000 0.450 83 R N 1.930 122.371 120.500 -0.099 0.000 2.308 83 R HA 0.523 4.918 4.340 0.092 0.000 0.305 83 R C -1.227 174.961 176.300 -0.186 0.000 1.053 83 R CA 0.077 55.953 56.100 -0.372 0.000 0.957 83 R CB 0.591 30.642 30.300 -0.416 0.000 1.022 83 R HN 0.710 nan 8.270 nan 0.000 0.461 84 E N 3.330 123.394 120.200 -0.227 0.000 2.302 84 E HA 0.328 4.734 4.350 0.092 0.000 0.263 84 E C 0.188 176.715 176.600 -0.121 0.000 0.897 84 E CA 0.172 56.388 56.400 -0.308 0.000 0.809 84 E CB 1.551 30.652 29.700 -0.998 0.000 1.270 84 E HN 0.844 nan 8.360 nan 0.000 0.410 85 G N 4.353 113.100 108.800 -0.089 0.000 2.561 85 G HA2 -0.403 3.612 3.960 0.092 0.000 0.289 85 G HA3 -0.403 3.612 3.960 0.092 0.000 0.289 85 G C 0.486 175.334 174.900 -0.087 0.000 1.169 85 G CA 0.629 45.705 45.100 -0.041 0.000 0.980 85 G HN 0.583 nan 8.290 nan 0.000 0.550 86 R N -0.230 120.181 120.500 -0.148 0.000 2.466 86 R HA 0.587 4.982 4.340 0.092 0.000 0.279 86 R C -0.164 175.870 176.300 -0.443 0.000 0.976 86 R CA -0.181 55.739 56.100 -0.300 0.000 1.081 86 R CB 0.033 30.098 30.300 -0.391 0.000 1.215 86 R HN 0.486 nan 8.270 nan 0.000 0.546 87 Y N -0.868 119.332 120.300 -0.166 0.000 2.605 87 Y HA 0.434 5.036 4.550 0.087 0.000 0.343 87 Y C -0.432 175.245 175.900 -0.371 0.000 1.036 87 Y CA -1.413 56.513 58.100 -0.290 0.000 1.065 87 Y CB 1.549 39.659 38.460 -0.583 0.000 1.288 87 Y HN -0.013 nan 8.280 nan 0.000 0.481 88 H N 0.031 118.974 119.070 -0.212 0.000 2.489 88 H HA 0.474 5.087 4.556 0.094 0.000 0.343 88 H C -1.532 173.510 175.328 -0.477 0.000 1.086 88 H CA -0.732 55.193 56.048 -0.204 0.000 1.198 88 H CB 0.922 30.658 29.762 -0.044 0.000 1.490 88 H HN 0.494 nan 8.280 nan 0.000 0.504 89 Y N 2.990 122.928 120.300 -0.603 0.000 2.487 89 Y HA 0.488 5.093 4.550 0.091 0.000 0.337 89 Y C -0.684 174.812 175.900 -0.673 0.000 1.076 89 Y CA -0.979 56.584 58.100 -0.895 0.000 1.115 89 Y CB 1.460 39.093 38.460 -1.378 0.000 1.235 89 Y HN 0.551 nan 8.280 nan 0.000 0.468 90 F N -0.946 118.849 119.950 -0.258 0.000 2.672 90 F HA 0.581 5.158 4.527 0.083 0.000 0.311 90 F C -2.065 173.781 175.800 0.077 0.000 1.113 90 F CA -1.876 56.126 58.000 0.004 0.000 0.996 90 F CB 0.535 39.539 39.000 0.007 0.000 1.286 90 F HN 0.181 nan 8.300 nan 0.000 0.441 91 F N 2.207 122.411 119.950 0.424 0.000 2.375 91 F HA 0.713 5.286 4.527 0.077 0.000 0.333 91 F C 0.203 176.188 175.800 0.308 0.000 1.104 91 F CA -0.144 58.057 58.000 0.335 0.000 1.149 91 F CB 1.631 40.796 39.000 0.275 0.000 1.190 91 F HN 0.432 nan 8.300 nan 0.000 0.533 92 K N 1.644 122.328 120.400 0.475 0.000 2.532 92 K HA 0.332 4.708 4.320 0.092 0.000 0.265 92 K C -1.524 175.238 176.600 0.270 0.000 0.948 92 K CA -1.157 55.286 56.287 0.260 0.000 0.842 92 K CB 2.385 34.862 32.500 -0.039 0.000 1.392 92 K HN 0.460 nan 8.250 nan 0.000 0.436 93 N N 1.803 120.599 118.700 0.160 0.000 2.454 93 N HA 0.053 4.848 4.740 0.092 0.000 0.291 93 N C -0.798 174.762 175.510 0.084 0.000 1.079 93 N CA -0.322 52.808 53.050 0.134 0.000 0.893 93 N CB 1.644 40.184 38.487 0.089 0.000 1.512 93 N HN 0.684 nan 8.380 nan 0.000 0.497 94 D N 2.354 122.813 120.400 0.098 0.000 2.378 94 D HA 0.125 4.820 4.640 0.092 0.000 0.227 94 D C 1.229 177.561 176.300 0.055 0.000 1.012 94 D CA 1.045 55.090 54.000 0.075 0.000 0.905 94 D CB -0.095 40.762 40.800 0.095 0.000 0.895 94 D HN 0.847 nan 8.370 nan 0.000 0.532 95 G N -0.295 108.524 108.800 0.031 0.000 2.254 95 G HA2 -0.280 3.736 3.960 0.092 0.000 0.225 95 G HA3 -0.280 3.736 3.960 0.092 0.000 0.225 95 G C 0.907 175.827 174.900 0.033 0.000 1.003 95 G CA 0.284 45.385 45.100 0.002 0.000 0.622 95 G HN 0.400 nan 8.290 nan 0.000 0.507 96 L N 0.388 121.642 121.223 0.053 0.000 2.577 96 L HA 0.332 4.727 4.340 0.092 0.000 0.225 96 L C 1.458 178.362 176.870 0.056 0.000 1.053 96 L CA -0.059 54.816 54.840 0.058 0.000 0.866 96 L CB -0.141 41.953 42.059 0.059 0.000 1.132 96 L HN 0.212 nan 8.230 nan 0.000 0.486 97 Q N 1.341 121.179 119.800 0.063 0.000 2.315 97 Q HA -0.090 4.305 4.340 0.092 0.000 0.289 97 Q C 0.692 176.727 176.000 0.058 0.000 1.044 97 Q CA 0.060 55.902 55.803 0.066 0.000 0.920 97 Q CB 0.571 29.363 28.738 0.090 0.000 1.214 97 Q HN 0.179 nan 8.270 nan 0.000 0.392 98 N N 1.740 120.471 118.700 0.052 0.000 2.354 98 N HA -0.112 4.684 4.740 0.092 0.000 0.179 98 N C -0.404 175.135 175.510 0.047 0.000 1.021 98 N CA 0.927 54.005 53.050 0.045 0.000 0.887 98 N CB 0.594 39.105 38.487 0.039 0.000 0.974 98 N HN 0.559 nan 8.380 nan 0.000 0.437 99 Q N 0.877 120.712 119.800 0.059 0.000 2.365 99 Q HA 0.309 4.704 4.340 0.092 0.000 0.269 99 Q C -1.058 175.008 176.000 0.111 0.000 1.061 99 Q CA -0.880 54.963 55.803 0.068 0.000 0.816 99 Q CB 1.679 30.454 28.738 0.062 0.000 1.325 99 Q HN 0.148 nan 8.270 nan 0.000 0.446 100 N N 0.709 119.488 118.700 0.130 0.000 2.479 100 N HA 0.114 4.909 4.740 0.092 0.000 0.257 100 N C -0.699 175.032 175.510 0.369 0.000 1.232 100 N CA 0.162 53.358 53.050 0.244 0.000 0.920 100 N CB 0.789 39.405 38.487 0.214 0.000 1.105 100 N HN 0.216 nan 8.380 nan 0.000 0.444 101 V N 2.103 122.265 119.914 0.413 0.000 2.483 101 V HA 0.240 4.415 4.120 0.092 0.000 0.295 101 V C 0.137 176.409 176.094 0.297 0.000 1.035 101 V CA -0.932 61.555 62.300 0.312 0.000 0.896 101 V CB 1.656 33.645 31.823 0.277 0.000 0.986 101 V HN 0.412 nan 8.190 nan 0.000 0.447 102 L N 5.175 126.381 121.223 -0.028 0.000 2.281 102 L HA 0.518 4.914 4.340 0.092 0.000 0.285 102 L C -0.929 175.817 176.870 -0.207 0.000 1.074 102 L CA 0.059 54.696 54.840 -0.338 0.000 0.817 102 L CB 0.376 42.210 42.059 -0.374 0.000 1.168 102 L HN 0.625 nan 8.230 nan 0.000 0.434 103 W N 5.390 126.376 121.300 -0.525 0.000 2.576 103 W HA 0.723 5.435 4.660 0.087 0.000 0.360 103 W C -0.068 175.915 176.519 -0.894 0.000 1.109 103 W CA -0.572 56.376 57.345 -0.662 0.000 1.237 103 W CB 1.014 29.922 29.460 -0.920 0.000 1.369 103 W HN 0.422 nan 8.180 nan 0.000 0.609 104 R N 1.482 121.667 120.500 -0.526 0.000 2.698 104 R HA 0.469 4.865 4.340 0.092 0.000 0.275 104 R C -1.581 174.526 176.300 -0.322 0.000 1.001 104 R CA -0.678 54.982 56.100 -0.732 0.000 0.896 104 R CB 2.086 31.800 30.300 -0.978 0.000 1.218 104 R HN 0.637 nan 8.270 nan 0.000 0.462 105 Q N 3.127 122.816 119.800 -0.185 0.000 2.280 105 Q HA 0.203 4.599 4.340 0.092 0.000 0.259 105 Q C -1.573 174.502 176.000 0.126 0.000 0.964 105 Q CA -0.655 55.187 55.803 0.065 0.000 0.844 105 Q CB 1.955 30.817 28.738 0.208 0.000 1.334 105 Q HN 0.760 nan 8.270 nan 0.000 0.423 106 Q N 1.746 121.639 119.800 0.155 0.000 2.293 106 Q HA 0.373 4.768 4.340 0.092 0.000 0.216 106 Q C 0.116 176.123 176.000 0.012 0.000 1.003 106 Q CA -0.563 55.280 55.803 0.066 0.000 0.995 106 Q CB 0.972 29.688 28.738 -0.036 0.000 1.172 106 Q HN 0.554 nan 8.270 nan 0.000 0.518 107 E N 0.598 120.775 120.200 -0.039 0.000 2.504 107 E HA -0.265 4.140 4.350 0.092 0.000 0.252 107 E C 0.812 177.403 176.600 -0.015 0.000 1.018 107 E CA 2.654 59.036 56.400 -0.031 0.000 1.151 107 E CB -0.797 28.874 29.700 -0.048 0.000 1.081 107 E HN 0.840 nan 8.360 nan 0.000 0.509 108 G N -0.353 108.442 108.800 -0.009 0.000 4.803 108 G HA2 0.346 4.361 3.960 0.092 0.000 0.266 108 G HA3 0.346 4.361 3.960 0.092 0.000 0.266 108 G C -0.479 174.425 174.900 0.008 0.000 1.111 108 G CA -0.507 44.591 45.100 -0.004 0.000 0.874 108 G HN -0.063 nan 8.290 nan 0.000 0.555 109 K N 0.618 121.031 120.400 0.022 0.000 2.352 109 K HA 0.576 4.951 4.320 0.092 0.000 0.240 109 K C -2.558 174.071 176.600 0.048 0.000 1.017 109 K CA -1.806 54.502 56.287 0.035 0.000 0.851 109 K CB 2.395 34.923 32.500 0.046 0.000 1.261 109 K HN 0.028 nan 8.250 nan 0.000 0.451 110 P HA 0.138 nan 4.420 nan 0.000 0.278 110 P C -0.925 176.448 177.300 0.122 0.000 1.238 110 P CA -0.385 62.761 63.100 0.078 0.000 0.794 110 P CB 0.949 32.692 31.700 0.071 0.000 0.955 111 A N 2.718 125.647 122.820 0.182 0.000 2.507 111 A HA 0.223 4.598 4.320 0.092 0.000 0.235 111 A C 0.525 178.304 177.584 0.325 0.000 1.070 111 A CA 0.161 52.369 52.037 0.285 0.000 0.768 111 A CB -0.420 18.855 19.000 0.459 0.000 1.011 111 A HN 0.695 nan 8.150 nan 0.000 0.502 112 E N 0.252 120.572 120.200 0.199 0.000 2.369 112 E HA 0.594 4.999 4.350 0.092 0.000 0.270 112 E C -1.329 175.026 176.600 -0.409 0.000 0.909 112 E CA -1.094 55.283 56.400 -0.038 0.000 0.775 112 E CB 1.428 31.079 29.700 -0.082 0.000 1.270 112 E HN 0.277 nan 8.360 nan 0.000 0.445 113 V N 2.679 122.098 119.914 -0.825 0.000 2.572 113 V HA 0.009 4.185 4.120 0.092 0.000 0.291 113 V C -0.158 175.643 176.094 -0.488 0.000 1.039 113 V CA 0.277 61.919 62.300 -1.097 0.000 1.055 113 V CB 0.425 31.686 31.823 -0.938 0.000 0.969 113 V HN 0.790 nan 8.190 nan 0.000 0.482 114 F N 5.494 125.110 119.950 -0.558 0.000 2.490 114 F HA 0.506 5.091 4.527 0.097 0.000 0.280 114 F C 0.115 175.741 175.800 -0.289 0.000 1.030 114 F CA 0.240 58.032 58.000 -0.346 0.000 1.367 114 F CB 0.680 39.536 39.000 -0.239 0.000 1.131 114 F HN 0.355 nan 8.300 nan 0.000 0.632 115 L N 1.515 122.540 121.223 -0.329 0.000 2.528 115 L HA 0.374 4.769 4.340 0.092 0.000 0.267 115 L C -1.944 174.782 176.870 -0.240 0.000 0.961 115 L CA -0.424 54.179 54.840 -0.395 0.000 0.866 115 L CB 1.192 42.992 42.059 -0.431 0.000 1.248 115 L HN 0.029 nan 8.230 nan 0.000 0.404 116 D N 6.437 126.704 120.400 -0.221 0.000 2.461 116 D HA 0.488 5.184 4.640 0.092 0.000 0.240 116 D C -2.055 174.193 176.300 -0.087 0.000 1.094 116 D CA -2.079 51.846 54.000 -0.124 0.000 0.868 116 D CB 2.225 42.944 40.800 -0.135 0.000 1.062 116 D HN 0.301 nan 8.370 nan 0.000 0.530 117 P HA -0.083 nan 4.420 nan 0.000 0.219 117 P C 1.086 178.380 177.300 -0.011 0.000 1.146 117 P CA 0.644 63.730 63.100 -0.023 0.000 0.808 117 P CB 0.358 32.072 31.700 0.024 0.000 0.779 118 N N -0.688 118.013 118.700 0.002 0.000 2.104 118 N HA -0.115 4.680 4.740 0.092 0.000 0.190 118 N C 1.613 177.118 175.510 -0.009 0.000 1.024 118 N CA 2.144 55.198 53.050 0.007 0.000 0.853 118 N CB -1.075 37.424 38.487 0.019 0.000 1.008 118 N HN 0.295 nan 8.380 nan 0.000 0.424 119 T N -0.847 113.690 114.554 -0.028 0.000 3.163 119 T HA 0.103 4.508 4.350 0.092 0.000 0.260 119 T C 1.786 176.463 174.700 -0.038 0.000 1.156 119 T CA 0.187 62.265 62.100 -0.036 0.000 1.072 119 T CB -0.377 68.457 68.868 -0.058 0.000 0.937 119 T HN 0.122 nan 8.240 nan 0.000 0.528 120 L N 1.641 122.843 121.223 -0.036 0.000 2.552 120 L HA 0.223 4.619 4.340 0.092 0.000 0.227 120 L C 0.967 177.825 176.870 -0.020 0.000 1.146 120 L CA 0.046 54.864 54.840 -0.035 0.000 0.858 120 L CB -0.514 41.521 42.059 -0.040 0.000 0.969 120 L HN 0.537 nan 8.230 nan 0.000 0.451 121 S N -4.292 111.401 115.700 -0.012 0.000 2.611 121 S HA 0.370 4.896 4.470 0.092 0.000 0.270 121 S C -2.490 172.109 174.600 -0.001 0.000 1.131 121 S CA -1.106 57.091 58.200 -0.004 0.000 0.826 121 S CB 1.360 64.560 63.200 0.001 0.000 1.095 121 S HN -0.298 nan 8.310 nan 0.000 0.461 122 P HA -0.157 nan 4.420 nan 0.000 0.203 122 P C 0.609 177.913 177.300 0.007 0.000 1.087 122 P CA 2.123 65.225 63.100 0.003 0.000 0.952 122 P CB -0.327 31.376 31.700 0.004 0.000 0.758 123 D N -2.157 118.249 120.400 0.010 0.000 2.363 123 D HA 0.147 4.842 4.640 0.092 0.000 0.226 123 D C 0.939 177.248 176.300 0.015 0.000 1.020 123 D CA 0.714 54.722 54.000 0.013 0.000 0.892 123 D CB -1.105 39.703 40.800 0.015 0.000 0.900 123 D HN 0.335 nan 8.370 nan 0.000 0.531 124 G N 0.655 109.462 108.800 0.013 0.000 2.298 124 G HA2 -0.283 3.733 3.960 0.092 0.000 0.287 124 G HA3 -0.283 3.733 3.960 0.092 0.000 0.287 124 G C 0.748 175.659 174.900 0.019 0.000 1.075 124 G CA 0.657 45.765 45.100 0.014 0.000 0.960 124 G HN 0.549 nan 8.290 nan 0.000 0.502 125 T N -3.004 111.562 114.554 0.019 0.000 3.122 125 T HA 0.391 4.796 4.350 0.092 0.000 0.250 125 T C 0.825 175.541 174.700 0.026 0.000 1.067 125 T CA 0.705 62.819 62.100 0.024 0.000 0.966 125 T CB 0.725 69.607 68.868 0.025 0.000 1.002 125 T HN 0.360 nan 8.240 nan 0.000 0.542 126 T N 2.887 117.453 114.554 0.020 0.000 2.743 126 T HA 0.709 5.114 4.350 0.092 0.000 0.292 126 T C -0.147 174.566 174.700 0.021 0.000 0.972 126 T CA -0.517 61.595 62.100 0.019 0.000 0.967 126 T CB 1.040 69.910 68.868 0.005 0.000 0.926 126 T HN 0.507 nan 8.240 nan 0.000 0.459 127 A N 3.669 126.508 122.820 0.032 0.000 2.337 127 A HA 0.762 5.137 4.320 0.092 0.000 0.331 127 A C -0.405 177.210 177.584 0.051 0.000 1.137 127 A CA -0.800 51.260 52.037 0.037 0.000 0.807 127 A CB 0.972 19.995 19.000 0.038 0.000 1.250 127 A HN 0.823 nan 8.150 nan 0.000 0.468 128 L N 1.737 122.994 121.223 0.058 0.000 2.290 128 L HA 0.242 4.638 4.340 0.092 0.000 0.284 128 L C -0.095 176.821 176.870 0.077 0.000 1.078 128 L CA 0.051 54.943 54.840 0.087 0.000 0.815 128 L CB 1.025 43.139 42.059 0.091 0.000 1.162 128 L HN 1.044 nan 8.230 nan 0.000 0.435 129 D N 2.347 122.803 120.400 0.093 0.000 2.818 129 D HA 0.061 4.756 4.640 0.092 0.000 0.250 129 D C 0.014 176.361 176.300 0.079 0.000 1.496 129 D CA 0.388 54.431 54.000 0.072 0.000 1.192 129 D CB 0.630 41.474 40.800 0.072 0.000 0.963 129 D HN 0.427 nan 8.370 nan 0.000 0.259 130 Q N 0.166 120.020 119.800 0.090 0.000 2.227 130 Q HA 0.489 4.885 4.340 0.092 0.000 0.245 130 Q C -0.318 175.754 176.000 0.121 0.000 0.926 130 Q CA -0.544 55.313 55.803 0.090 0.000 0.895 130 Q CB 2.234 31.016 28.738 0.074 0.000 1.230 130 Q HN 0.479 nan 8.270 nan 0.000 0.450 131 L N -1.154 120.142 121.223 0.121 0.000 2.493 131 L HA 0.720 5.116 4.340 0.092 0.000 0.265 131 L C -1.287 175.648 176.870 0.110 0.000 0.954 131 L CA -0.275 54.640 54.840 0.125 0.000 0.844 131 L CB 2.444 44.611 42.059 0.179 0.000 1.302 131 L HN 0.503 nan 8.230 nan 0.000 0.405 132 S N 3.396 119.141 115.700 0.076 0.000 2.649 132 S HA 0.644 5.170 4.470 0.092 0.000 0.274 132 S C -1.209 173.488 174.600 0.162 0.000 1.176 132 S CA -0.391 57.932 58.200 0.205 0.000 0.988 132 S CB 0.734 64.122 63.200 0.313 0.000 1.071 132 S HN 0.537 nan 8.310 nan 0.000 0.478 133 F N 3.160 123.127 119.950 0.029 0.000 2.375 133 F HA 0.426 5.004 4.527 0.085 0.000 0.333 133 F C 1.456 176.807 175.800 -0.747 0.000 1.104 133 F CA -0.243 57.617 58.000 -0.233 0.000 1.149 133 F CB 1.324 40.210 39.000 -0.190 0.000 1.190 133 F HN 0.637 nan 8.300 nan 0.000 0.533 134 S N 1.752 116.802 115.700 -1.083 0.000 2.580 134 S HA 0.101 4.626 4.470 0.092 0.000 0.266 134 S C 1.292 175.604 174.600 -0.480 0.000 1.354 134 S CA -0.742 56.545 58.200 -1.522 0.000 1.008 134 S CB 0.842 63.254 63.200 -1.314 0.000 0.898 134 S HN 0.714 nan 8.310 nan 0.000 0.555 135 R N 1.501 121.860 120.500 -0.235 0.000 2.103 135 R HA -0.158 4.238 4.340 0.092 0.000 0.242 135 R C 1.380 177.648 176.300 -0.054 0.000 1.142 135 R CA 2.325 58.394 56.100 -0.052 0.000 0.960 135 R CB -1.098 29.226 30.300 0.039 0.000 0.858 135 R HN 0.936 nan 8.270 nan 0.000 0.439 136 D N -1.978 118.380 120.400 -0.070 0.000 2.349 136 D HA 0.103 4.799 4.640 0.092 0.000 0.224 136 D C 1.097 177.378 176.300 -0.032 0.000 1.029 136 D CA 0.781 54.759 54.000 -0.037 0.000 0.879 136 D CB -0.240 40.550 40.800 -0.017 0.000 0.906 136 D HN 0.357 nan 8.370 nan 0.000 0.528 137 G N 0.735 109.507 108.800 -0.047 0.000 2.168 137 G HA2 -0.427 3.588 3.960 0.092 0.000 0.263 137 G HA3 -0.427 3.588 3.960 0.092 0.000 0.263 137 G C 1.206 176.181 174.900 0.126 0.000 0.977 137 G CA 0.448 45.554 45.100 0.009 0.000 0.659 137 G HN 0.466 nan 8.290 nan 0.000 0.533 138 R N -0.865 119.674 120.500 0.064 0.000 2.246 138 R HA 0.312 4.708 4.340 0.092 0.000 0.199 138 R C 0.693 177.059 176.300 0.110 0.000 0.984 138 R CA 0.614 56.776 56.100 0.104 0.000 1.015 138 R CB 0.359 30.699 30.300 0.066 0.000 0.930 138 R HN 0.394 nan 8.270 nan 0.000 0.475 139 I N 1.228 121.811 120.570 0.022 0.000 2.545 139 I HA 0.266 4.492 4.170 0.092 0.000 0.292 139 I C -0.960 175.138 176.117 -0.032 0.000 1.040 139 I CA -1.362 59.959 61.300 0.035 0.000 1.068 139 I CB 1.935 39.963 38.000 0.047 0.000 1.251 139 I HN -0.102 nan 8.210 nan 0.000 0.424 140 L N 5.742 126.972 121.223 0.012 0.000 2.333 140 L HA 0.840 5.235 4.340 0.092 0.000 0.280 140 L C -0.350 176.571 176.870 0.085 0.000 1.004 140 L CA -0.183 54.536 54.840 -0.202 0.000 0.820 140 L CB 1.455 43.280 42.059 -0.391 0.000 1.247 140 L HN 0.700 nan 8.230 nan 0.000 0.416 141 A N 5.111 127.998 122.820 0.113 0.000 2.304 141 A HA 0.748 5.124 4.320 0.092 0.000 0.323 141 A C -1.540 176.050 177.584 0.010 0.000 1.195 141 A CA -0.350 51.672 52.037 -0.025 0.000 0.826 141 A CB 0.472 19.262 19.000 -0.349 0.000 1.184 141 A HN 0.845 nan 8.150 nan 0.000 0.496 142 Y N 0.297 120.525 120.300 -0.121 0.000 2.513 142 Y HA 0.709 5.312 4.550 0.090 0.000 0.340 142 Y C -0.114 175.767 175.900 -0.032 0.000 1.055 142 Y CA -0.862 57.193 58.100 -0.074 0.000 1.020 142 Y CB 1.134 39.561 38.460 -0.055 0.000 1.301 142 Y HN 0.657 nan 8.280 nan 0.000 0.453 143 S N 3.879 119.623 115.700 0.073 0.000 2.525 143 S HA 0.827 5.352 4.470 0.092 0.000 0.290 143 S C -1.064 173.598 174.600 0.104 0.000 1.152 143 S CA -0.705 57.517 58.200 0.036 0.000 1.072 143 S CB 1.193 64.413 63.200 0.033 0.000 1.027 143 S HN 0.768 nan 8.310 nan 0.000 0.500 144 L N 2.531 123.802 121.223 0.080 0.000 2.362 144 L HA 0.626 5.021 4.340 0.092 0.000 0.271 144 L C 0.192 177.106 176.870 0.074 0.000 1.002 144 L CA -0.672 54.211 54.840 0.071 0.000 0.818 144 L CB 2.467 44.527 42.059 0.002 0.000 1.298 144 L HN 0.981 nan 8.230 nan 0.000 0.420 145 S N 1.479 117.219 115.700 0.067 0.000 2.766 145 S HA 0.708 5.234 4.470 0.092 0.000 0.307 145 S C -0.195 174.444 174.600 0.065 0.000 1.121 145 S CA -0.801 57.443 58.200 0.073 0.000 0.980 145 S CB 2.301 65.540 63.200 0.065 0.000 1.159 145 S HN 0.585 nan 8.310 nan 0.000 0.546 146 L N -0.462 120.805 121.223 0.073 0.000 2.694 146 L HA 0.670 5.066 4.340 0.092 0.000 0.198 146 L C 1.980 178.883 176.870 0.054 0.000 1.903 146 L CA 0.054 54.931 54.840 0.061 0.000 2.945 146 L CB -0.187 41.913 42.059 0.070 0.000 2.882 146 L HN 0.865 nan 8.230 nan 0.000 0.702 147 A N -0.684 122.168 122.820 0.054 0.000 1.832 147 A HA 0.105 4.481 4.320 0.092 0.000 0.214 147 A C 1.676 179.292 177.584 0.053 0.000 1.242 147 A CA 1.370 53.436 52.037 0.048 0.000 0.603 147 A CB -1.382 17.644 19.000 0.044 0.000 0.902 147 A HN 0.768 nan 8.150 nan 0.000 0.455 148 G N -1.528 107.309 108.800 0.061 0.000 2.742 148 G HA2 0.252 4.268 3.960 0.092 0.000 0.204 148 G HA3 0.252 4.268 3.960 0.092 0.000 0.204 148 G C 0.758 175.702 174.900 0.074 0.000 1.126 148 G CA 0.922 46.060 45.100 0.063 0.000 0.829 148 G HN 0.694 nan 8.290 nan 0.000 0.574 149 S N 1.053 116.811 115.700 0.096 0.000 3.551 149 S HA -0.121 4.404 4.470 0.092 0.000 0.425 149 S C 0.889 175.533 174.600 0.074 0.000 1.149 149 S CA 0.397 58.679 58.200 0.136 0.000 0.912 149 S CB 0.102 63.427 63.200 0.208 0.000 0.641 149 S HN 0.319 nan 8.310 nan 0.000 0.481 150 D N 3.361 123.736 120.400 -0.041 0.000 2.355 150 D HA 0.065 4.760 4.640 0.092 0.000 0.218 150 D C 0.125 176.231 176.300 -0.323 0.000 1.004 150 D CA 0.223 54.094 54.000 -0.216 0.000 0.880 150 D CB 0.100 40.669 40.800 -0.385 0.000 0.911 150 D HN 0.616 nan 8.370 nan 0.000 0.528 151 W N 1.572 122.820 121.300 -0.086 0.000 2.170 151 W HA 0.204 4.920 4.660 0.093 0.000 0.336 151 W C 1.183 177.682 176.519 -0.034 0.000 1.283 151 W CA -0.274 57.033 57.345 -0.063 0.000 1.224 151 W CB 0.753 30.195 29.460 -0.031 0.000 1.132 151 W HN -0.398 nan 8.180 nan 0.000 0.571 152 R N 1.346 121.992 120.500 0.244 0.000 2.867 152 R HA 0.457 4.852 4.340 0.092 0.000 0.268 152 R C -1.027 175.346 176.300 0.122 0.000 1.014 152 R CA -1.246 54.939 56.100 0.141 0.000 0.946 152 R CB 1.890 32.241 30.300 0.085 0.000 1.208 152 R HN 0.530 nan 8.270 nan 0.000 0.477 153 E N 1.128 121.372 120.200 0.074 0.000 2.266 153 E HA 0.483 4.889 4.350 0.092 0.000 0.268 153 E C -0.511 176.069 176.600 -0.032 0.000 0.879 153 E CA -0.681 55.720 56.400 0.002 0.000 0.762 153 E CB 2.644 32.373 29.700 0.047 0.000 1.199 153 E HN 0.324 nan 8.360 nan 0.000 0.422 154 I N 2.953 123.411 120.570 -0.187 0.000 2.330 154 I HA 0.226 4.452 4.170 0.092 0.000 0.289 154 I C -0.547 175.338 176.117 -0.388 0.000 1.001 154 I CA -0.564 60.582 61.300 -0.257 0.000 1.193 154 I CB 0.595 38.400 38.000 -0.326 0.000 1.345 154 I HN 0.414 nan 8.210 nan 0.000 0.461 155 H N 5.788 124.493 119.070 -0.608 0.000 2.481 155 H HA 0.638 5.249 4.556 0.091 0.000 0.339 155 H C -0.361 174.631 175.328 -0.560 0.000 1.131 155 H CA -0.094 55.550 56.048 -0.674 0.000 1.301 155 H CB 1.346 30.466 29.762 -1.071 0.000 1.476 155 H HN 0.396 nan 8.280 nan 0.000 0.529 159 V N 2.965 123.018 119.914 0.231 0.000 2.332 159 V HA -0.154 4.021 4.120 0.092 0.000 0.248 159 V C 2.154 178.426 176.094 0.297 0.000 1.055 159 V CA 2.121 64.637 62.300 0.359 0.000 1.038 159 V CB -0.446 31.605 31.823 0.380 0.000 0.651 159 V HN 0.650 nan 8.190 nan 0.000 0.450 160 E N 0.932 121.265 120.200 0.222 0.000 2.106 160 E HA -0.165 4.240 4.350 0.092 0.000 0.192 160 E C 2.292 178.972 176.600 0.134 0.000 0.984 160 E CA 1.655 58.170 56.400 0.192 0.000 0.806 160 E CB -0.228 29.568 29.700 0.161 0.000 0.750 160 E HN 0.729 nan 8.360 nan 0.000 0.458 161 S N -1.063 114.699 115.700 0.104 0.000 2.503 161 S HA 0.130 4.656 4.470 0.092 0.000 0.215 161 S C 0.690 175.306 174.600 0.027 0.000 1.003 161 S CA 0.336 58.572 58.200 0.060 0.000 0.910 161 S CB 0.038 63.268 63.200 0.049 0.000 0.790 161 S HN 0.275 nan 8.310 nan 0.000 0.514 162 K N -0.067 120.352 120.400 0.031 0.000 3.391 162 K HA -0.121 4.254 4.320 0.092 0.000 0.307 162 K C -0.664 175.901 176.600 -0.059 0.000 1.304 162 K CA 0.940 57.185 56.287 -0.070 0.000 0.904 162 K CB -1.241 31.168 32.500 -0.151 0.000 1.293 162 K HN 0.441 nan 8.250 nan 0.000 0.470 163 Q N -0.068 119.731 119.800 -0.001 0.000 2.205 163 Q HA 0.378 4.774 4.340 0.092 0.000 0.249 163 Q C -2.478 173.543 176.000 0.035 0.000 0.948 163 Q CA -2.264 53.544 55.803 0.008 0.000 0.895 163 Q CB 0.710 29.457 28.738 0.015 0.000 1.249 163 Q HN -0.109 nan 8.270 nan 0.000 0.458 164 P HA 0.021 nan 4.420 nan 0.000 0.271 164 P C 0.281 177.606 177.300 0.041 0.000 1.226 164 P CA -0.083 63.046 63.100 0.048 0.000 0.765 164 P CB 0.540 32.261 31.700 0.036 0.000 0.835 165 L N 3.618 124.873 121.223 0.054 0.000 2.127 165 L HA 0.122 4.517 4.340 0.092 0.000 0.203 165 L C 0.547 177.441 176.870 0.041 0.000 1.080 165 L CA 1.827 56.704 54.840 0.062 0.000 0.768 165 L CB -0.069 42.050 42.059 0.101 0.000 0.924 165 L HN 0.380 nan 8.230 nan 0.000 0.444 166 E N -1.958 118.252 120.200 0.017 0.000 2.456 166 E HA 0.234 4.639 4.350 0.092 0.000 0.276 166 E C -1.028 175.528 176.600 -0.074 0.000 0.981 166 E CA -0.723 55.671 56.400 -0.010 0.000 0.814 166 E CB 0.989 30.701 29.700 0.020 0.000 1.382 166 E HN -0.142 nan 8.360 nan 0.000 0.459 167 T N 2.063 116.560 114.554 -0.095 0.000 2.926 167 T HA 0.178 4.584 4.350 0.092 0.000 0.307 167 T C -2.169 172.381 174.700 -0.250 0.000 1.059 167 T CA -1.301 60.709 62.100 -0.149 0.000 1.122 167 T CB 0.328 69.123 68.868 -0.122 0.000 0.972 167 T HN 0.175 nan 8.240 nan 0.000 0.545 168 P HA 0.198 nan 4.420 nan 0.000 0.271 168 P C -0.781 176.277 177.300 -0.405 0.000 1.218 168 P CA -0.577 62.201 63.100 -0.537 0.000 0.780 168 P CB 0.452 31.568 31.700 -0.973 0.000 0.901 169 L N 2.941 123.911 121.223 -0.422 0.000 2.380 169 L HA 0.230 4.625 4.340 0.092 0.000 0.273 169 L C 1.242 177.948 176.870 -0.273 0.000 1.138 169 L CA 0.715 55.317 54.840 -0.397 0.000 0.832 169 L CB -0.194 41.533 42.059 -0.553 0.000 1.124 169 L HN 0.318 nan 8.230 nan 0.000 0.454 170 K N 1.401 121.684 120.400 -0.195 0.000 2.258 170 K HA 0.427 4.803 4.320 0.092 0.000 0.236 170 K C -0.403 176.193 176.600 -0.006 0.000 1.008 170 K CA -0.858 55.367 56.287 -0.103 0.000 0.869 170 K CB 0.963 33.391 32.500 -0.120 0.000 1.171 170 K HN 0.451 nan 8.250 nan 0.000 0.447 171 D N -0.222 120.228 120.400 0.083 0.000 2.945 171 D HA -0.135 4.560 4.640 0.092 0.000 0.225 171 D C -0.983 175.608 176.300 0.484 0.000 1.158 171 D CA 0.613 54.799 54.000 0.311 0.000 0.805 171 D CB -1.084 39.821 40.800 0.174 0.000 1.098 171 D HN 0.084 nan 8.370 nan 0.000 0.426 172 V N 0.150 120.273 119.914 0.347 0.000 2.546 172 V HA 0.480 4.655 4.120 0.092 0.000 0.284 172 V C 0.561 176.778 176.094 0.205 0.000 1.050 172 V CA 0.063 62.534 62.300 0.285 0.000 0.981 172 V CB 1.935 33.848 31.823 0.150 0.000 0.990 172 V HN 0.118 nan 8.190 nan 0.000 0.474 173 K N 3.478 123.952 120.400 0.122 0.000 2.543 173 K HA 0.437 4.812 4.320 0.092 0.000 0.255 173 K C -1.077 175.536 176.600 0.021 0.000 0.934 173 K CA -0.766 55.404 56.287 -0.196 0.000 0.810 173 K CB 1.101 33.244 32.500 -0.595 0.000 1.315 173 K HN 0.323 nan 8.250 nan 0.000 0.433 174 F N -0.019 120.018 119.950 0.144 0.000 2.943 174 F HA -0.222 4.359 4.527 0.090 0.000 0.258 174 F C -0.012 175.940 175.800 0.253 0.000 0.995 174 F CA 0.956 59.052 58.000 0.160 0.000 0.896 174 F CB -1.859 37.228 39.000 0.145 0.000 0.821 174 F HN 0.340 nan 8.300 nan 0.000 0.828 175 S N -0.697 115.187 115.700 0.307 0.000 2.536 175 S HA 0.879 5.404 4.470 0.092 0.000 0.298 175 S C 0.390 175.105 174.600 0.191 0.000 1.083 175 S CA 0.021 58.373 58.200 0.254 0.000 0.995 175 S CB 1.760 65.114 63.200 0.257 0.000 1.058 175 S HN 0.657 nan 8.310 nan 0.000 0.488 176 G N 1.787 110.694 108.800 0.177 0.000 2.568 176 G HA2 0.720 4.736 3.960 0.092 0.000 0.293 176 G HA3 0.720 4.736 3.960 0.092 0.000 0.293 176 G C -1.074 173.924 174.900 0.164 0.000 1.347 176 G CA -0.736 44.452 45.100 0.146 0.000 1.039 176 G HN 0.750 nan 8.290 nan 0.000 0.523 177 I N 0.177 120.828 120.570 0.134 0.000 2.500 177 I HA 0.365 4.590 4.170 0.092 0.000 0.286 177 I C -0.634 175.581 176.117 0.163 0.000 1.063 177 I CA -0.450 60.904 61.300 0.089 0.000 1.062 177 I CB 2.242 40.175 38.000 -0.111 0.000 1.223 177 I HN 0.394 nan 8.210 nan 0.000 0.435 178 S N 5.417 121.277 115.700 0.267 0.000 2.672 178 S HA 0.518 5.044 4.470 0.092 0.000 0.291 178 S C -1.410 173.472 174.600 0.469 0.000 1.145 178 S CA -0.432 57.984 58.200 0.360 0.000 1.013 178 S CB 0.777 64.174 63.200 0.328 0.000 1.017 178 S HN 0.414 nan 8.310 nan 0.000 0.487 179 W N 3.806 125.333 121.300 0.378 0.000 2.251 179 W HA 0.487 5.198 4.660 0.085 0.000 0.329 179 W C -0.058 176.707 176.519 0.409 0.000 1.234 179 W CA -0.554 57.032 57.345 0.400 0.000 1.228 179 W CB 0.689 30.319 29.460 0.284 0.000 1.135 179 W HN 0.446 nan 8.180 nan 0.000 0.576 180 L N 4.734 126.372 121.223 0.692 0.000 2.297 180 L HA 0.603 4.999 4.340 0.092 0.000 0.277 180 L C 0.736 177.885 176.870 0.465 0.000 1.040 180 L CA 0.481 55.640 54.840 0.531 0.000 0.867 180 L CB -0.083 42.260 42.059 0.473 0.000 1.244 180 L HN 0.779 nan 8.230 nan 0.000 0.433 181 G N 4.648 113.666 108.800 0.363 0.000 2.622 181 G HA2 -0.387 3.628 3.960 0.092 0.000 0.307 181 G HA3 -0.387 3.628 3.960 0.092 0.000 0.307 181 G C 0.621 175.702 174.900 0.301 0.000 1.226 181 G CA 0.577 45.835 45.100 0.263 0.000 0.997 181 G HN 0.674 nan 8.290 nan 0.000 0.551 182 N N 1.210 120.063 118.700 0.255 0.000 2.235 182 N HA 0.174 4.969 4.740 0.092 0.000 0.231 182 N C 1.439 177.164 175.510 0.357 0.000 1.177 182 N CA 0.644 53.835 53.050 0.235 0.000 0.874 182 N CB 1.041 39.586 38.487 0.096 0.000 1.097 182 N HN 0.742 nan 8.380 nan 0.000 0.518 183 E N 0.447 120.880 120.200 0.388 0.000 2.122 183 E HA 0.159 4.564 4.350 0.092 0.000 0.190 183 E C 1.053 177.800 176.600 0.244 0.000 0.977 183 E CA 0.424 57.008 56.400 0.306 0.000 0.820 183 E CB 0.439 30.323 29.700 0.307 0.000 0.770 183 E HN 0.288 nan 8.360 nan 0.000 0.462 184 G N 0.166 109.135 108.800 0.282 0.000 2.323 184 G HA2 0.343 4.359 3.960 0.092 0.000 0.291 184 G HA3 0.343 4.359 3.960 0.092 0.000 0.291 184 G C -1.821 172.765 174.900 -0.523 0.000 1.278 184 G CA -0.632 44.213 45.100 -0.425 0.000 0.860 184 G HN 0.132 nan 8.290 nan 0.000 0.504 185 F N -1.875 117.426 119.950 -1.080 0.000 2.645 185 F HA 0.871 5.455 4.527 0.095 0.000 0.310 185 F C -1.473 174.045 175.800 -0.470 0.000 1.102 185 F CA -2.095 55.496 58.000 -0.682 0.000 0.952 185 F CB 1.132 39.512 39.000 -1.034 0.000 1.326 185 F HN 0.407 nan 8.300 nan 0.000 0.456 186 F N 2.113 122.254 119.950 0.319 0.000 2.399 186 F HA 0.646 5.226 4.527 0.089 0.000 0.334 186 F C -0.229 175.812 175.800 0.402 0.000 1.097 186 F CA -0.640 57.548 58.000 0.314 0.000 1.076 186 F CB 1.294 40.446 39.000 0.252 0.000 1.162 186 F HN 0.654 nan 8.300 nan 0.000 0.495 187 Y N -1.576 118.926 120.300 0.336 0.000 2.689 187 Y HA 0.797 5.401 4.550 0.090 0.000 0.333 187 Y C -1.281 174.719 175.900 0.167 0.000 1.190 187 Y CA -1.441 56.807 58.100 0.246 0.000 1.063 187 Y CB 1.105 39.719 38.460 0.257 0.000 1.294 187 Y HN 0.350 nan 8.280 nan 0.000 0.466 188 S N 0.975 116.741 115.700 0.110 0.000 2.532 188 S HA 0.781 5.307 4.470 0.092 0.000 0.301 188 S C -1.123 173.469 174.600 -0.014 0.000 1.083 188 S CA -0.728 57.355 58.200 -0.196 0.000 1.025 188 S CB 1.590 64.514 63.200 -0.459 0.000 1.056 188 S HN 0.819 nan 8.310 nan 0.000 0.494 189 S N 0.256 115.888 115.700 -0.112 0.000 2.537 189 S HA 0.476 5.002 4.470 0.092 0.000 0.271 189 S C -0.982 173.708 174.600 0.151 0.000 1.148 189 S CA -0.521 57.786 58.200 0.177 0.000 0.868 189 S CB 0.491 63.909 63.200 0.363 0.000 1.115 189 S HN 0.612 nan 8.310 nan 0.000 0.461 190 Y N 1.435 121.982 120.300 0.410 0.000 2.519 190 Y HA 0.302 4.908 4.550 0.094 0.000 0.287 190 Y C 0.675 176.740 175.900 0.275 0.000 1.128 190 Y CA 0.345 58.643 58.100 0.330 0.000 1.282 190 Y CB 0.366 38.969 38.460 0.239 0.000 1.027 190 Y HN 0.505 nan 8.280 nan 0.000 0.551 191 D N -0.120 120.527 120.400 0.412 0.000 2.619 191 D HA 0.182 4.878 4.640 0.092 0.000 0.241 191 D C -0.680 175.727 176.300 0.178 0.000 1.087 191 D CA -0.696 53.474 54.000 0.284 0.000 0.851 191 D CB 1.685 42.632 40.800 0.246 0.000 1.474 191 D HN -0.010 nan 8.370 nan 0.000 0.478 192 K N 1.882 122.373 120.400 0.151 0.000 2.550 192 K HA -0.001 4.375 4.320 0.092 0.000 0.280 192 K C -1.574 174.966 176.600 -0.099 0.000 0.987 192 K CA -0.697 55.619 56.287 0.049 0.000 1.048 192 K CB 0.348 32.902 32.500 0.091 0.000 0.879 192 K HN 0.107 nan 8.250 nan 0.000 0.491 193 P HA -0.276 nan 4.420 nan 0.000 0.209 193 P C -0.495 176.746 177.300 -0.099 0.000 1.167 193 P CA 1.637 64.612 63.100 -0.208 0.000 0.941 193 P CB -0.191 31.372 31.700 -0.228 0.000 0.787 201 R N 0.829 121.372 120.500 0.071 0.000 2.679 201 R HA 0.561 4.957 4.340 0.092 0.000 0.268 201 R C 0.908 177.241 176.300 0.054 0.000 1.044 201 R CA 1.092 57.252 56.100 0.101 0.000 1.105 201 R CB 0.295 30.673 30.300 0.130 0.000 0.989 201 R HN 1.003 nan 8.270 nan 0.000 0.447 202 T N -2.853 111.737 114.554 0.061 0.000 2.831 202 T HA 0.319 4.725 4.350 0.092 0.000 0.287 202 T C -0.136 174.538 174.700 -0.044 0.000 1.070 202 T CA -0.805 61.301 62.100 0.011 0.000 1.010 202 T CB 1.524 70.406 68.868 0.023 0.000 1.264 202 T HN 0.587 nan 8.240 nan 0.000 0.532 203 D N -0.752 119.612 120.400 -0.059 0.000 2.463 203 D HA 0.065 4.761 4.640 0.092 0.000 0.224 203 D C -0.168 176.237 176.300 0.175 0.000 1.174 203 D CA -0.351 53.590 54.000 -0.098 0.000 0.829 203 D CB 0.025 40.743 40.800 -0.138 0.000 0.993 203 D HN 0.580 nan 8.370 nan 0.000 0.497 204 Q N 0.987 120.916 119.800 0.215 0.000 2.456 204 Q HA 0.152 4.548 4.340 0.092 0.000 0.234 204 Q C -0.444 175.724 176.000 0.280 0.000 1.061 204 Q CA -0.263 55.614 55.803 0.124 0.000 0.896 204 Q CB 0.878 29.506 28.738 -0.183 0.000 1.233 204 Q HN 0.372 nan 8.270 nan 0.000 0.506 205 H N 2.531 121.650 119.070 0.081 0.000 2.764 205 H HA 0.169 4.780 4.556 0.091 0.000 0.341 205 H C -0.473 174.815 175.328 -0.067 0.000 1.072 205 H CA 0.222 56.116 56.048 -0.256 0.000 1.444 205 H CB 0.700 30.298 29.762 -0.273 0.000 1.458 205 H HN 0.369 nan 8.280 nan 0.000 0.572 206 K N 3.029 123.307 120.400 -0.204 0.000 2.385 206 K HA 0.373 4.749 4.320 0.092 0.000 0.248 206 K C -1.202 175.151 176.600 -0.412 0.000 0.955 206 K CA -0.964 55.167 56.287 -0.259 0.000 0.816 206 K CB 2.844 35.133 32.500 -0.351 0.000 1.250 206 K HN 0.212 nan 8.250 nan 0.000 0.434 207 V N 2.736 122.446 119.914 -0.340 0.000 2.427 207 V HA 0.371 4.547 4.120 0.092 0.000 0.286 207 V C -1.062 174.754 176.094 -0.463 0.000 1.034 207 V CA -0.505 61.628 62.300 -0.279 0.000 0.893 207 V CB 0.395 32.184 31.823 -0.057 0.000 0.982 207 V HN 0.573 nan 8.190 nan 0.000 0.452 208 Y N 3.325 123.438 120.300 -0.313 0.000 2.570 208 Y HA 0.629 5.234 4.550 0.091 0.000 0.345 208 Y C -0.619 175.163 175.900 -0.197 0.000 1.014 208 Y CA -1.024 56.887 58.100 -0.315 0.000 1.063 208 Y CB 2.111 40.205 38.460 -0.610 0.000 1.272 208 Y HN 0.576 nan 8.280 nan 0.000 0.477 209 F N 1.865 121.770 119.950 -0.076 0.000 2.477 209 F HA 0.403 4.983 4.527 0.088 0.000 0.335 209 F C -0.900 174.768 175.800 -0.220 0.000 1.130 209 F CA -0.820 56.977 58.000 -0.339 0.000 0.948 209 F CB 0.617 39.302 39.000 -0.525 0.000 1.154 209 F HN 0.555 nan 8.300 nan 0.000 0.439 210 H N 5.714 124.119 119.070 -1.109 0.000 2.552 210 H HA 0.408 5.019 4.556 0.091 0.000 0.311 210 H C -0.618 173.910 175.328 -1.335 0.000 1.071 210 H CA -0.474 54.972 56.048 -1.004 0.000 1.307 210 H CB 0.670 29.743 29.762 -1.148 0.000 1.416 210 H HN 0.725 nan 8.280 nan 0.000 0.464 211 R N 5.620 125.385 120.500 -1.225 0.000 2.254 211 R HA 0.267 4.662 4.340 0.092 0.000 0.318 211 R C -0.377 175.435 176.300 -0.814 0.000 1.031 211 R CA -0.660 54.961 56.100 -0.799 0.000 0.905 211 R CB 0.431 30.566 30.300 -0.275 0.000 1.050 211 R HN 0.670 nan 8.270 nan 0.000 0.456 212 L N 3.949 124.896 121.223 -0.460 0.000 2.514 212 L HA 0.061 4.456 4.340 0.092 0.000 0.280 212 L C 1.361 178.152 176.870 -0.132 0.000 1.223 212 L CA 1.123 55.845 54.840 -0.197 0.000 0.864 212 L CB 0.599 42.700 42.059 0.071 0.000 1.118 212 L HN 1.121 nan 8.230 nan 0.000 0.494 213 G N 1.271 110.032 108.800 -0.065 0.000 2.141 213 G HA2 -0.230 3.786 3.960 0.092 0.000 0.231 213 G HA3 -0.230 3.786 3.960 0.092 0.000 0.231 213 G C 0.144 175.011 174.900 -0.056 0.000 0.984 213 G CA 0.142 45.221 45.100 -0.034 0.000 0.660 213 G HN 0.878 nan 8.290 nan 0.000 0.525 214 T N -2.585 111.906 114.554 -0.105 0.000 2.887 214 T HA 0.893 5.299 4.350 0.092 0.000 0.292 214 T C 0.108 174.815 174.700 0.013 0.000 1.087 214 T CA 0.323 62.377 62.100 -0.078 0.000 1.009 214 T CB 2.072 70.855 68.868 -0.142 0.000 1.203 214 T HN 1.746 nan 8.240 nan 0.000 0.518 215 A N 0.600 123.432 122.820 0.020 0.000 2.316 215 A HA 0.430 4.805 4.320 0.092 0.000 0.284 215 A C 1.377 179.002 177.584 0.069 0.000 1.115 215 A CA -0.486 51.575 52.037 0.039 0.000 0.812 215 A CB 0.529 19.526 19.000 -0.004 0.000 1.064 215 A HN 1.066 nan 8.150 nan 0.000 0.489 216 Q N 0.629 120.439 119.800 0.018 0.000 2.181 216 Q HA -0.232 4.163 4.340 0.092 0.000 0.205 216 Q C 1.632 177.613 176.000 -0.032 0.000 0.980 216 Q CA 2.117 57.902 55.803 -0.030 0.000 0.862 216 Q CB -0.136 28.492 28.738 -0.184 0.000 0.905 216 Q HN 0.954 nan 8.270 nan 0.000 0.429 217 E N -0.426 119.750 120.200 -0.041 0.000 2.267 217 E HA -0.205 4.200 4.350 0.092 0.000 0.197 217 E C 0.390 176.978 176.600 -0.020 0.000 0.998 217 E CA 1.263 57.638 56.400 -0.042 0.000 0.830 217 E CB -0.033 29.646 29.700 -0.035 0.000 0.751 217 E HN 0.392 nan 8.360 nan 0.000 0.491 218 D N 1.357 121.755 120.400 -0.004 0.000 2.340 218 D HA 0.057 4.753 4.640 0.092 0.000 0.217 218 D C -0.520 175.794 176.300 0.023 0.000 1.081 218 D CA -0.000 54.003 54.000 0.007 0.000 0.842 218 D CB 0.005 40.803 40.800 -0.004 0.000 0.934 218 D HN 0.114 nan 8.370 nan 0.000 0.511 219 D N 1.412 121.832 120.400 0.033 0.000 2.455 219 D HA -0.009 4.686 4.640 0.092 0.000 0.241 219 D C 0.716 177.110 176.300 0.157 0.000 1.138 219 D CA 0.250 54.296 54.000 0.077 0.000 0.877 219 D CB 1.020 41.880 40.800 0.100 0.000 1.187 219 D HN -0.080 nan 8.370 nan 0.000 0.451 220 R N 2.691 123.302 120.500 0.185 0.000 2.390 220 R HA 0.160 4.556 4.340 0.092 0.000 0.291 220 R C -0.289 176.160 176.300 0.248 0.000 1.070 220 R CA -0.695 55.521 56.100 0.193 0.000 1.014 220 R CB 0.570 30.956 30.300 0.143 0.000 1.007 220 R HN 0.384 nan 8.270 nan 0.000 0.466 221 L N 6.117 127.444 121.223 0.175 0.000 2.410 221 L HA 0.065 4.460 4.340 0.092 0.000 0.273 221 L C 0.141 176.984 176.870 -0.045 0.000 1.152 221 L CA 0.517 55.321 54.840 -0.061 0.000 0.855 221 L CB 1.572 43.602 42.059 -0.048 0.000 1.129 221 L HN 0.622 nan 8.230 nan 0.000 0.463 222 V N 6.779 126.642 119.914 -0.086 0.000 3.048 222 V HA 0.206 4.381 4.120 0.092 0.000 0.241 222 V C 0.183 176.331 176.094 0.090 0.000 1.129 222 V CA 0.242 62.575 62.300 0.055 0.000 1.128 222 V CB 0.312 32.244 31.823 0.182 0.000 0.849 222 V HN 0.735 nan 8.190 nan 0.000 0.475 223 F N -1.304 118.533 119.950 -0.189 0.000 2.703 223 F HA 0.612 5.197 4.527 0.097 0.000 0.308 223 F C 0.434 176.136 175.800 -0.164 0.000 1.126 223 F CA 0.311 58.212 58.000 -0.165 0.000 0.959 223 F CB 1.685 40.590 39.000 -0.157 0.000 1.297 223 F HN 0.078 nan 8.300 nan 0.000 0.441 224 G N 1.820 110.174 108.800 -0.744 0.000 2.179 224 G HA2 -0.109 3.907 3.960 0.092 0.000 0.220 224 G HA3 -0.109 3.907 3.960 0.092 0.000 0.220 224 G C 0.567 175.401 174.900 -0.111 0.000 0.990 224 G CA 0.255 45.141 45.100 -0.357 0.000 0.646 224 G HN 1.538 nan 8.290 nan 0.000 0.517 225 A N 0.123 122.860 122.820 -0.139 0.000 1.911 225 A HA 0.653 5.028 4.320 0.092 0.000 0.212 225 A C 1.487 179.111 177.584 0.067 0.000 1.189 225 A CA 1.146 53.187 52.037 0.007 0.000 0.639 225 A CB -0.317 18.666 19.000 -0.027 0.000 0.839 225 A HN 1.493 nan 8.150 nan 0.000 0.449 226 I N -2.984 117.520 120.570 -0.110 0.000 2.779 226 I HA 0.256 4.482 4.170 0.092 0.000 0.285 226 I C -1.977 173.862 176.117 -0.463 0.000 1.134 226 I CA -1.704 59.483 61.300 -0.187 0.000 1.398 226 I CB 0.352 38.241 38.000 -0.185 0.000 1.404 226 I HN -0.110 nan 8.210 nan 0.000 0.587 227 P HA -0.258 nan 4.420 nan 0.000 0.216 227 P C 1.360 178.306 177.300 -0.589 0.000 1.154 227 P CA 2.332 64.869 63.100 -0.939 0.000 0.865 227 P CB 0.046 31.493 31.700 -0.422 0.000 0.789 228 A N -1.015 121.604 122.820 -0.335 0.000 2.172 228 A HA -0.173 4.203 4.320 0.092 0.000 0.216 228 A C 1.821 179.307 177.584 -0.162 0.000 1.154 228 A CA 1.280 53.201 52.037 -0.193 0.000 0.701 228 A CB -0.844 18.081 19.000 -0.125 0.000 0.789 228 A HN 0.293 nan 8.150 nan 0.000 0.465 229 Q N -0.991 118.643 119.800 -0.277 0.000 2.194 229 Q HA 0.113 4.508 4.340 0.092 0.000 0.214 229 Q C -0.728 175.280 176.000 0.014 0.000 0.838 229 Q CA -0.249 55.369 55.803 -0.309 0.000 0.972 229 Q CB 0.312 28.443 28.738 -1.012 0.000 1.131 229 Q HN 0.806 nan 8.270 nan 0.000 0.498 230 H N 0.720 119.711 119.070 -0.132 0.000 2.975 230 H HA 0.093 4.705 4.556 0.092 0.000 0.303 230 H C -0.622 174.568 175.328 -0.229 0.000 1.023 230 H CA 0.157 56.148 56.048 -0.095 0.000 1.473 230 H CB 0.335 30.036 29.762 -0.102 0.000 1.498 230 H HN 0.150 nan 8.280 nan 0.000 0.549 231 H N 0.659 119.841 119.070 0.187 0.000 3.012 231 H HA 0.144 4.757 4.556 0.094 0.000 0.367 231 H C 0.805 176.194 175.328 0.102 0.000 1.211 231 H CA -0.875 55.270 56.048 0.163 0.000 1.139 231 H CB 1.517 31.426 29.762 0.244 0.000 1.838 231 H HN 0.503 nan 8.280 nan 0.000 0.550 232 R N 0.739 121.291 120.500 0.087 0.000 2.148 232 R HA 0.028 4.424 4.340 0.092 0.000 0.223 232 R C -0.643 175.430 176.300 -0.379 0.000 1.088 232 R CA 1.262 57.236 56.100 -0.211 0.000 0.985 232 R CB 0.328 30.303 30.300 -0.541 0.000 0.880 232 R HN 0.495 nan 8.270 nan 0.000 0.451 233 Y N -0.283 120.159 120.300 0.236 0.000 2.386 233 Y HA 0.361 4.967 4.550 0.094 0.000 0.334 233 Y C -0.667 175.412 175.900 0.298 0.000 1.002 233 Y CA -1.384 56.856 58.100 0.233 0.000 1.068 233 Y CB 2.162 40.664 38.460 0.069 0.000 1.203 233 Y HN -0.172 nan 8.280 nan 0.000 0.443 234 V N -0.121 120.127 119.914 0.557 0.000 2.876 234 V HA 1.128 5.303 4.120 0.092 0.000 0.312 234 V C -0.353 175.800 176.094 0.098 0.000 1.085 234 V CA -0.724 61.693 62.300 0.195 0.000 0.945 234 V CB 1.777 33.678 31.823 0.130 0.000 1.017 234 V HN 0.954 nan 8.190 nan 0.000 0.428 235 G N 1.220 110.024 108.800 0.006 0.000 2.619 235 G HA2 0.948 4.963 3.960 0.092 0.000 0.296 235 G HA3 0.948 4.963 3.960 0.092 0.000 0.296 235 G C -1.065 173.799 174.900 -0.060 0.000 1.334 235 G CA -0.441 44.664 45.100 0.009 0.000 0.934 235 G HN 1.741 nan 8.290 nan 0.000 0.476 236 A N 0.444 123.249 122.820 -0.024 0.000 2.398 236 A HA 0.868 5.244 4.320 0.092 0.000 0.301 236 A C -0.456 177.111 177.584 -0.028 0.000 1.041 236 A CA -0.558 51.422 52.037 -0.094 0.000 0.711 236 A CB 1.824 20.738 19.000 -0.142 0.000 1.240 236 A HN 0.799 nan 8.150 nan 0.000 0.420 237 T N 1.471 115.984 114.554 -0.068 0.000 2.861 237 T HA 0.557 4.962 4.350 0.092 0.000 0.287 237 T C -0.687 174.014 174.700 0.002 0.000 1.003 237 T CA -0.411 61.698 62.100 0.016 0.000 0.977 237 T CB 1.556 70.439 68.868 0.025 0.000 0.996 237 T HN 0.518 nan 8.240 nan 0.000 0.448 238 V N 3.700 123.674 119.914 0.101 0.000 2.435 238 V HA 0.466 4.641 4.120 0.092 0.000 0.290 238 V C 0.996 177.184 176.094 0.157 0.000 1.030 238 V CA -0.872 61.507 62.300 0.132 0.000 0.881 238 V CB 1.686 33.667 31.823 0.263 0.000 0.983 238 V HN 1.138 nan 8.190 nan 0.000 0.445 239 T N 0.682 115.336 114.554 0.166 0.000 2.856 239 T HA 0.086 4.492 4.350 0.092 0.000 0.306 239 T C 1.094 175.884 174.700 0.151 0.000 1.062 239 T CA -0.065 62.140 62.100 0.175 0.000 1.083 239 T CB 0.772 69.791 68.868 0.252 0.000 0.984 239 T HN 0.778 nan 8.240 nan 0.000 0.542 240 E N 0.725 120.990 120.200 0.108 0.000 2.171 240 E HA -0.226 4.180 4.350 0.092 0.000 0.197 240 E C 1.288 177.944 176.600 0.093 0.000 0.997 240 E CA 1.583 58.000 56.400 0.029 0.000 0.810 240 E CB -0.078 29.474 29.700 -0.248 0.000 0.738 240 E HN 0.871 nan 8.360 nan 0.000 0.467 241 D N -0.685 119.813 120.400 0.163 0.000 2.328 241 D HA -0.078 4.617 4.640 0.092 0.000 0.221 241 D C -0.063 176.290 176.300 0.089 0.000 1.072 241 D CA 0.273 54.358 54.000 0.141 0.000 0.850 241 D CB 0.005 40.896 40.800 0.152 0.000 0.922 241 D HN 0.020 nan 8.370 nan 0.000 0.516 242 D N 0.089 120.551 120.400 0.104 0.000 3.059 242 D HA -0.252 4.444 4.640 0.092 0.000 0.220 242 D C 1.157 177.460 176.300 0.004 0.000 1.169 242 D CA 0.830 54.885 54.000 0.093 0.000 0.902 242 D CB -0.998 39.864 40.800 0.103 0.000 1.116 242 D HN 0.472 nan 8.370 nan 0.000 0.417 243 R N -0.732 119.726 120.500 -0.071 0.000 2.112 243 R HA 0.071 4.467 4.340 0.092 0.000 0.216 243 R C 0.292 176.262 176.300 -0.550 0.000 1.080 243 R CA 0.810 56.701 56.100 -0.347 0.000 0.996 243 R CB 0.335 30.325 30.300 -0.516 0.000 0.902 243 R HN -0.016 nan 8.270 nan 0.000 0.449 244 F N 0.215 120.193 119.950 0.047 0.000 2.551 244 F HA 0.361 4.939 4.527 0.086 0.000 0.316 244 F C -0.723 175.064 175.800 -0.021 0.000 1.089 244 F CA -1.307 56.702 58.000 0.014 0.000 0.915 244 F CB 1.783 40.793 39.000 0.018 0.000 1.186 244 F HN -0.190 nan 8.300 nan 0.000 0.456 245 L N 4.541 125.840 121.223 0.127 0.000 2.287 245 L HA 0.605 5.001 4.340 0.092 0.000 0.287 245 L C -1.650 175.183 176.870 -0.061 0.000 1.022 245 L CA -0.369 54.419 54.840 -0.087 0.000 0.814 245 L CB 0.809 42.710 42.059 -0.264 0.000 1.217 245 L HN 0.382 nan 8.230 nan 0.000 0.420 246 L N 7.080 128.245 121.223 -0.096 0.000 2.305 246 L HA 0.497 4.893 4.340 0.092 0.000 0.284 246 L C -0.483 176.295 176.870 -0.154 0.000 1.013 246 L CA -0.250 54.533 54.840 -0.094 0.000 0.819 246 L CB 1.628 43.646 42.059 -0.069 0.000 1.227 246 L HN 0.643 nan 8.230 nan 0.000 0.417 247 I N 2.762 123.227 120.570 -0.174 0.000 2.355 247 I HA 0.234 4.459 4.170 0.092 0.000 0.288 247 I C 0.406 176.384 176.117 -0.232 0.000 0.999 247 I CA -0.281 60.857 61.300 -0.270 0.000 1.163 247 I CB 2.001 39.704 38.000 -0.496 0.000 1.316 247 I HN 0.610 nan 8.210 nan 0.000 0.454 248 S N 5.143 120.728 115.700 -0.191 0.000 2.578 248 S HA 0.885 5.411 4.470 0.092 0.000 0.283 248 S C -0.398 174.110 174.600 -0.153 0.000 1.195 248 S CA -0.651 57.463 58.200 -0.143 0.000 1.050 248 S CB 2.118 65.270 63.200 -0.080 0.000 1.012 248 S HN 0.727 nan 8.310 nan 0.000 0.511 249 A N 1.214 123.947 122.820 -0.145 0.000 2.427 249 A HA 0.918 5.293 4.320 0.092 0.000 0.298 249 A C -0.408 177.139 177.584 -0.061 0.000 1.036 249 A CA -0.434 51.474 52.037 -0.214 0.000 0.701 249 A CB 1.175 19.797 19.000 -0.631 0.000 1.250 249 A HN 1.856 nan 8.150 nan 0.000 0.412 250 A N 1.453 124.375 122.820 0.169 0.000 2.609 250 A HA 0.734 5.110 4.320 0.092 0.000 0.291 250 A C -0.292 177.513 177.584 0.369 0.000 1.096 250 A CA -0.533 51.671 52.037 0.279 0.000 0.684 250 A CB 0.787 19.903 19.000 0.194 0.000 1.282 250 A HN 0.790 nan 8.150 nan 0.000 0.412 251 N N -0.659 118.215 118.700 0.290 0.000 2.197 251 N HA 0.222 5.018 4.740 0.092 0.000 0.201 251 N C 0.188 175.845 175.510 0.246 0.000 1.148 251 N CA 0.647 53.815 53.050 0.197 0.000 0.883 251 N CB 0.610 39.167 38.487 0.116 0.000 1.012 251 N HN 0.816 nan 8.380 nan 0.000 0.507 252 S N -1.829 114.030 115.700 0.266 0.000 2.757 252 S HA 0.135 4.660 4.470 0.092 0.000 0.285 252 S C 0.682 175.318 174.600 0.061 0.000 1.196 252 S CA -0.487 57.827 58.200 0.189 0.000 0.856 252 S CB 0.614 63.872 63.200 0.097 0.000 1.212 252 S HN 0.040 nan 8.310 nan 0.000 0.516 253 T N -1.238 113.300 114.554 -0.026 0.000 3.118 253 T HA 0.208 4.614 4.350 0.092 0.000 0.260 253 T C 0.773 175.450 174.700 -0.039 0.000 1.139 253 T CA 0.786 62.839 62.100 -0.078 0.000 1.085 253 T CB -0.401 68.404 68.868 -0.104 0.000 0.934 253 T HN 0.824 nan 8.240 nan 0.000 0.518 254 S N 0.840 116.535 115.700 -0.008 0.000 2.474 254 S HA 0.582 5.107 4.470 0.092 0.000 0.320 254 S C 0.390 175.002 174.600 0.019 0.000 1.067 254 S CA 0.114 58.312 58.200 -0.003 0.000 1.127 254 S CB -0.423 62.774 63.200 -0.006 0.000 0.971 254 S HN 1.237 nan 8.310 nan 0.000 0.472 255 G N 3.737 112.545 108.800 0.014 0.000 2.722 255 G HA2 -0.066 3.949 3.960 0.092 0.000 0.686 255 G HA3 -0.066 3.949 3.960 0.092 0.000 0.686 255 G C -1.013 173.913 174.900 0.043 0.000 1.282 255 G CA -0.405 44.712 45.100 0.028 0.000 0.817 255 G HN 1.368 nan 8.290 nan 0.000 0.605 256 N N 0.250 118.971 118.700 0.035 0.000 2.504 256 N HA 0.470 5.266 4.740 0.092 0.000 0.268 256 N C -0.379 175.131 175.510 -0.001 0.000 1.184 256 N CA -1.008 52.060 53.050 0.030 0.000 0.875 256 N CB 1.414 39.903 38.487 0.003 0.000 1.630 256 N HN 0.779 nan 8.380 nan 0.000 0.486 257 R N 0.017 120.505 120.500 -0.021 0.000 2.577 257 R HA 0.598 4.994 4.340 0.092 0.000 0.269 257 R C -0.734 175.424 176.300 -0.237 0.000 1.084 257 R CA -0.704 55.324 56.100 -0.121 0.000 1.163 257 R CB 0.637 30.909 30.300 -0.047 0.000 1.100 257 R HN 0.563 nan 8.270 nan 0.000 0.547 258 L N 1.440 122.395 121.223 -0.448 0.000 2.493 258 L HA 0.401 4.796 4.340 0.092 0.000 0.265 258 L C -1.899 174.597 176.870 -0.624 0.000 0.954 258 L CA -0.451 54.159 54.840 -0.383 0.000 0.844 258 L CB 1.637 43.582 42.059 -0.190 0.000 1.302 258 L HN 0.478 nan 8.230 nan 0.000 0.405 259 Y N 3.361 123.576 120.300 -0.141 0.000 2.524 259 Y HA 0.791 5.396 4.550 0.091 0.000 0.344 259 Y C -0.511 175.324 175.900 -0.108 0.000 1.012 259 Y CA -0.869 57.168 58.100 -0.105 0.000 1.068 259 Y CB 2.326 40.703 38.460 -0.138 0.000 1.249 259 Y HN 0.427 nan 8.280 nan 0.000 0.468 260 V N 2.884 122.850 119.914 0.087 0.000 2.735 260 V HA 0.650 4.825 4.120 0.092 0.000 0.310 260 V C -1.447 174.707 176.094 0.101 0.000 1.061 260 V CA -0.859 61.466 62.300 0.042 0.000 0.913 260 V CB 1.876 33.667 31.823 -0.054 0.000 1.005 260 V HN 0.805 nan 8.190 nan 0.000 0.428 261 K N 4.003 124.481 120.400 0.129 0.000 2.426 261 K HA 0.434 4.809 4.320 0.092 0.000 0.254 261 K C -1.207 175.528 176.600 0.226 0.000 0.936 261 K CA -0.624 55.743 56.287 0.134 0.000 0.801 261 K CB 1.606 34.136 32.500 0.051 0.000 1.139 261 K HN 0.702 nan 8.250 nan 0.000 0.424 262 D N 5.458 125.983 120.400 0.209 0.000 2.393 262 D HA 0.101 4.796 4.640 0.092 0.000 0.232 262 D C 0.868 177.142 176.300 -0.044 0.000 1.192 262 D CA -0.125 53.935 54.000 0.100 0.000 0.882 262 D CB 0.755 41.642 40.800 0.144 0.000 1.038 262 D HN 0.623 nan 8.370 nan 0.000 0.499 263 L N 2.634 123.786 121.223 -0.118 0.000 2.465 263 L HA -0.106 4.290 4.340 0.092 0.000 0.224 263 L C 2.249 179.059 176.870 -0.099 0.000 1.145 263 L CA 0.548 55.338 54.840 -0.082 0.000 0.834 263 L CB -0.316 41.710 42.059 -0.054 0.000 0.944 263 L HN 0.338 nan 8.230 nan 0.000 0.451 264 S N -1.602 114.002 115.700 -0.159 0.000 2.522 264 S HA -0.002 4.523 4.470 0.092 0.000 0.227 264 S C 0.794 175.355 174.600 -0.065 0.000 0.986 264 S CA -0.063 58.067 58.200 -0.117 0.000 0.929 264 S CB -0.039 63.066 63.200 -0.159 0.000 0.769 264 S HN 0.455 nan 8.310 nan 0.000 0.529 265 Q N 0.971 120.741 119.800 -0.051 0.000 2.309 265 Q HA 0.407 4.802 4.340 0.092 0.000 0.264 265 Q C -1.078 174.914 176.000 -0.013 0.000 1.008 265 Q CA -0.534 55.257 55.803 -0.020 0.000 0.853 265 Q CB 1.528 30.265 28.738 -0.002 0.000 1.314 265 Q HN 0.414 nan 8.270 nan 0.000 0.448 266 E N 1.496 121.692 120.200 -0.008 0.000 2.324 266 E HA 0.012 4.417 4.350 0.092 0.000 0.271 266 E C -0.575 176.024 176.600 -0.001 0.000 1.028 266 E CA 0.036 56.432 56.400 -0.006 0.000 0.890 266 E CB 0.138 29.836 29.700 -0.004 0.000 1.004 266 E HN 0.566 nan 8.360 nan 0.000 0.431 267 N N 1.008 119.707 118.700 -0.002 0.000 2.727 267 N HA -0.250 4.546 4.740 0.092 0.000 0.249 267 N C -0.757 174.760 175.510 0.011 0.000 1.048 267 N CA -0.036 53.016 53.050 0.003 0.000 0.714 267 N CB -0.660 37.829 38.487 0.003 0.000 0.959 267 N HN 0.493 nan 8.380 nan 0.000 0.544 268 A N 0.927 123.756 122.820 0.014 0.000 2.425 268 A HA 0.419 4.795 4.320 0.092 0.000 0.249 268 A C -1.187 176.417 177.584 0.034 0.000 1.084 268 A CA -0.708 51.346 52.037 0.028 0.000 0.781 268 A CB 0.324 19.346 19.000 0.037 0.000 1.019 268 A HN 0.188 nan 8.150 nan 0.000 0.490 269 P HA 0.357 nan 4.420 nan 0.000 0.278 269 P C -0.744 176.594 177.300 0.063 0.000 1.266 269 P CA -0.475 62.651 63.100 0.043 0.000 0.807 269 P CB 0.715 32.439 31.700 0.041 0.000 1.094 270 L N 0.867 122.130 121.223 0.066 0.000 2.349 270 L HA 0.214 4.610 4.340 0.092 0.000 0.275 270 L C 0.239 177.194 176.870 0.141 0.000 1.115 270 L CA -0.669 54.231 54.840 0.100 0.000 0.820 270 L CB 0.308 42.412 42.059 0.076 0.000 1.135 270 L HN 0.232 nan 8.230 nan 0.000 0.445 271 L N 2.381 123.701 121.223 0.160 0.000 2.334 271 L HA 0.421 4.817 4.340 0.092 0.000 0.273 271 L C 0.193 177.184 176.870 0.203 0.000 1.013 271 L CA -0.133 54.797 54.840 0.149 0.000 0.816 271 L CB 1.966 44.078 42.059 0.088 0.000 1.278 271 L HN 0.435 nan 8.230 nan 0.000 0.431 272 T N 1.759 116.414 114.554 0.169 0.000 2.723 272 T HA 0.251 4.657 4.350 0.092 0.000 0.297 272 T C 1.355 176.042 174.700 -0.022 0.000 0.925 272 T CA -0.407 61.721 62.100 0.047 0.000 1.030 272 T CB 0.912 69.826 68.868 0.077 0.000 0.905 272 T HN 0.341 nan 8.240 nan 0.000 0.502 273 V N 2.556 122.416 119.914 -0.090 0.000 2.535 273 V HA 0.087 4.263 4.120 0.092 0.000 0.246 273 V C 0.953 177.131 176.094 0.140 0.000 1.045 273 V CA 1.033 63.372 62.300 0.064 0.000 1.058 273 V CB -0.194 31.634 31.823 0.007 0.000 0.689 273 V HN 0.836 nan 8.190 nan 0.000 0.461 274 Q N -0.873 118.892 119.800 -0.058 0.000 2.275 274 Q HA 0.455 4.850 4.340 0.092 0.000 0.258 274 Q C 0.227 176.121 176.000 -0.176 0.000 0.960 274 Q CA 0.177 55.951 55.803 -0.048 0.000 0.801 274 Q CB 1.870 30.659 28.738 0.084 0.000 1.302 274 Q HN 0.284 nan 8.270 nan 0.000 0.433 275 G N 2.727 111.462 108.800 -0.108 0.000 3.088 275 G HA2 0.099 4.114 3.960 0.092 0.000 0.217 275 G HA3 0.099 4.114 3.960 0.092 0.000 0.217 275 G C -0.220 174.692 174.900 0.020 0.000 1.159 275 G CA 0.432 45.506 45.100 -0.044 0.000 0.760 275 G HN 0.712 nan 8.290 nan 0.000 0.550 276 D N -1.179 119.219 120.400 -0.003 0.000 2.497 276 D HA 0.414 5.109 4.640 0.092 0.000 0.243 276 D C 0.486 176.809 176.300 0.038 0.000 1.039 276 D CA -0.948 53.068 54.000 0.027 0.000 1.052 276 D CB 0.978 41.777 40.800 -0.002 0.000 1.344 276 D HN -0.096 nan 8.370 nan 0.000 0.553 277 L N 0.202 121.456 121.223 0.053 0.000 2.791 277 L HA 0.242 4.637 4.340 0.092 0.000 0.239 277 L C 0.311 177.202 176.870 0.034 0.000 1.203 277 L CA -0.146 54.729 54.840 0.058 0.000 1.002 277 L CB -0.073 42.037 42.059 0.084 0.000 1.295 277 L HN 0.324 nan 8.230 nan 0.000 0.504 278 D N 1.272 121.682 120.400 0.017 0.000 2.363 278 D HA 0.164 4.859 4.640 0.092 0.000 0.220 278 D C 0.829 177.136 176.300 0.011 0.000 0.994 278 D CA 0.462 54.466 54.000 0.006 0.000 0.890 278 D CB 0.617 41.410 40.800 -0.012 0.000 0.906 278 D HN 0.367 nan 8.370 nan 0.000 0.530 279 A N -0.010 122.825 122.820 0.025 0.000 2.601 279 A HA 0.388 4.763 4.320 0.092 0.000 0.291 279 A C -1.601 176.007 177.584 0.039 0.000 1.075 279 A CA -0.842 51.216 52.037 0.036 0.000 0.671 279 A CB 1.330 20.368 19.000 0.063 0.000 1.277 279 A HN -0.198 nan 8.150 nan 0.000 0.417 280 D N 0.574 120.990 120.400 0.026 0.000 2.210 280 D HA 0.479 5.175 4.640 0.092 0.000 0.249 280 D C -1.018 175.285 176.300 0.005 0.000 1.078 280 D CA 0.131 54.134 54.000 0.005 0.000 0.875 280 D CB 2.054 42.843 40.800 -0.018 0.000 1.175 280 D HN 0.562 nan 8.370 nan 0.000 0.440 281 V N 1.285 121.188 119.914 -0.020 0.000 2.777 281 V HA 0.541 4.716 4.120 0.092 0.000 0.306 281 V C -1.237 174.791 176.094 -0.109 0.000 1.112 281 V CA -0.311 61.944 62.300 -0.074 0.000 0.917 281 V CB 1.901 33.703 31.823 -0.034 0.000 1.018 281 V HN 0.730 nan 8.190 nan 0.000 0.426 282 S N 5.940 121.554 115.700 -0.143 0.000 2.564 282 S HA 0.753 5.278 4.470 0.092 0.000 0.274 282 S C -1.039 173.476 174.600 -0.141 0.000 1.124 282 S CA -0.794 57.332 58.200 -0.123 0.000 0.869 282 S CB 1.757 64.901 63.200 -0.093 0.000 1.105 282 S HN 1.420 nan 8.310 nan 0.000 0.472 283 L N 2.672 123.830 121.223 -0.107 0.000 2.410 283 L HA 0.486 4.881 4.340 0.092 0.000 0.273 283 L C 0.378 177.219 176.870 -0.049 0.000 1.152 283 L CA 0.378 55.169 54.840 -0.083 0.000 0.855 283 L CB 0.773 42.803 42.059 -0.049 0.000 1.129 283 L HN 0.691 nan 8.230 nan 0.000 0.463 284 V N 2.885 122.779 119.914 -0.032 0.000 2.627 284 V HA 0.320 4.496 4.120 0.092 0.000 0.239 284 V C 0.264 176.383 176.094 0.042 0.000 1.077 284 V CA 0.982 63.272 62.300 -0.017 0.000 1.103 284 V CB -0.038 31.754 31.823 -0.051 0.000 0.802 284 V HN 0.970 nan 8.190 nan 0.000 0.482 285 D N -1.564 118.890 120.400 0.091 0.000 2.827 285 D HA 0.203 4.899 4.640 0.092 0.000 0.336 285 D C -1.958 174.493 176.300 0.251 0.000 1.374 285 D CA -0.461 53.640 54.000 0.168 0.000 0.794 285 D CB 0.879 41.805 40.800 0.210 0.000 1.364 285 D HN 0.282 nan 8.370 nan 0.000 0.464 286 N N 0.458 119.338 118.700 0.300 0.000 2.357 286 N HA 0.458 5.253 4.740 0.092 0.000 0.284 286 N C -1.419 174.273 175.510 0.303 0.000 1.236 286 N CA -0.708 52.560 53.050 0.363 0.000 0.774 286 N CB 2.596 41.298 38.487 0.358 0.000 1.534 286 N HN 0.326 nan 8.380 nan 0.000 0.478 287 K N 0.764 121.380 120.400 0.360 0.000 2.613 287 K HA 0.435 4.810 4.320 0.092 0.000 0.248 287 K C 0.368 177.086 176.600 0.196 0.000 0.959 287 K CA 0.127 56.522 56.287 0.180 0.000 0.855 287 K CB 0.559 33.182 32.500 0.205 0.000 1.143 287 K HN 0.914 nan 8.250 nan 0.000 0.437 288 G N 2.105 110.989 108.800 0.140 0.000 2.574 288 G HA2 -0.379 3.636 3.960 0.092 0.000 0.286 288 G HA3 -0.379 3.636 3.960 0.092 0.000 0.286 288 G C 0.477 175.541 174.900 0.273 0.000 1.212 288 G CA 0.490 45.678 45.100 0.147 0.000 0.979 288 G HN 0.882 nan 8.290 nan 0.000 0.557 289 S N -0.631 115.207 115.700 0.230 0.000 2.631 289 S HA 0.396 4.921 4.470 0.092 0.000 0.217 289 S C 0.797 175.455 174.600 0.098 0.000 0.958 289 S CA 1.250 59.624 58.200 0.291 0.000 0.920 289 S CB 0.135 63.457 63.200 0.203 0.000 0.776 289 S HN 0.940 nan 8.310 nan 0.000 0.517 290 T N 3.426 118.039 114.554 0.098 0.000 2.771 290 T HA 0.486 4.891 4.350 0.092 0.000 0.291 290 T C -0.222 174.471 174.700 -0.010 0.000 0.954 290 T CA -0.438 61.655 62.100 -0.013 0.000 1.045 290 T CB 0.767 69.634 68.868 -0.002 0.000 0.917 290 T HN 0.278 nan 8.240 nan 0.000 0.484 291 L N 3.593 124.705 121.223 -0.186 0.000 2.307 291 L HA 0.485 4.880 4.340 0.092 0.000 0.282 291 L C -0.782 175.942 176.870 -0.244 0.000 1.051 291 L CA -0.971 53.773 54.840 -0.161 0.000 0.804 291 L CB 0.771 42.656 42.059 -0.290 0.000 1.197 291 L HN 0.655 nan 8.230 nan 0.000 0.431 292 Y N 3.709 123.915 120.300 -0.158 0.000 2.334 292 Y HA 0.573 5.186 4.550 0.105 0.000 0.336 292 Y C -0.256 175.498 175.900 -0.242 0.000 0.960 292 Y CA -0.606 57.380 58.100 -0.190 0.000 1.164 292 Y CB 1.442 39.810 38.460 -0.154 0.000 1.155 292 Y HN 0.322 nan 8.280 nan 0.000 0.478 293 L N 4.789 125.863 121.223 -0.249 0.000 2.362 293 L HA 0.526 4.922 4.340 0.092 0.000 0.271 293 L C -1.145 175.544 176.870 -0.301 0.000 1.002 293 L CA -1.145 53.498 54.840 -0.328 0.000 0.818 293 L CB 2.007 43.711 42.059 -0.592 0.000 1.298 293 L HN 0.433 nan 8.230 nan 0.000 0.420 294 L N 1.960 123.041 121.223 -0.237 0.000 2.282 294 L HA 0.766 5.162 4.340 0.092 0.000 0.288 294 L C -0.193 176.565 176.870 -0.186 0.000 1.033 294 L CA 0.637 55.361 54.840 -0.194 0.000 0.807 294 L CB 1.617 43.578 42.059 -0.163 0.000 1.209 294 L HN 0.693 nan 8.230 nan 0.000 0.423 295 T N 2.442 116.910 114.554 -0.142 0.000 2.853 295 T HA 0.391 4.797 4.350 0.092 0.000 0.311 295 T C -0.074 174.619 174.700 -0.011 0.000 1.307 295 T CA -0.367 61.691 62.100 -0.070 0.000 1.019 295 T CB 1.093 69.938 68.868 -0.039 0.000 1.264 295 T HN 0.769 nan 8.240 nan 0.000 0.497 296 N N 1.677 120.390 118.700 0.021 0.000 2.204 296 N HA 0.094 4.889 4.740 0.092 0.000 0.219 296 N C 0.288 175.830 175.510 0.052 0.000 1.151 296 N CA -0.464 52.600 53.050 0.025 0.000 0.867 296 N CB -0.008 38.483 38.487 0.007 0.000 1.043 296 N HN 0.499 nan 8.380 nan 0.000 0.516 297 R N 1.553 122.117 120.500 0.107 0.000 2.458 297 R HA -0.023 4.372 4.340 0.092 0.000 0.303 297 R C -0.502 175.838 176.300 0.067 0.000 1.013 297 R CA 0.377 56.539 56.100 0.104 0.000 1.026 297 R CB -0.098 30.320 30.300 0.197 0.000 0.948 297 R HN 0.103 nan 8.270 nan 0.000 0.417 298 D N 1.462 121.876 120.400 0.024 0.000 2.983 298 D HA -0.232 4.464 4.640 0.092 0.000 0.225 298 D C -1.017 175.296 176.300 0.020 0.000 1.174 298 D CA 1.621 55.627 54.000 0.011 0.000 0.831 298 D CB -0.847 39.951 40.800 -0.004 0.000 1.104 298 D HN 0.619 nan 8.370 nan 0.000 0.421 299 A N -0.976 121.860 122.820 0.027 0.000 2.872 299 A HA 0.522 4.897 4.320 0.092 0.000 0.305 299 A C -1.999 175.599 177.584 0.022 0.000 1.171 299 A CA -0.921 51.130 52.037 0.025 0.000 0.782 299 A CB 1.288 20.305 19.000 0.028 0.000 1.329 299 A HN -0.200 nan 8.150 nan 0.000 0.432 300 P HA -0.163 nan 4.420 nan 0.000 0.216 300 P C 0.948 178.261 177.300 0.021 0.000 1.150 300 P CA 1.403 64.516 63.100 0.021 0.000 0.843 300 P CB 0.255 31.971 31.700 0.028 0.000 0.787 301 N N -1.094 117.623 118.700 0.028 0.000 2.383 301 N HA 0.058 4.854 4.740 0.092 0.000 0.192 301 N C -0.218 175.309 175.510 0.028 0.000 1.141 301 N CA 0.232 53.304 53.050 0.036 0.000 0.851 301 N CB -0.200 38.320 38.487 0.055 0.000 0.976 301 N HN 0.109 nan 8.380 nan 0.000 0.465 302 R N -0.113 120.394 120.500 0.012 0.000 1.375 302 R HA -0.178 4.218 4.340 0.092 0.000 0.445 302 R C -0.403 175.891 176.300 -0.010 0.000 1.333 302 R CA 0.476 56.569 56.100 -0.011 0.000 1.298 302 R CB -0.451 29.824 30.300 -0.042 0.000 3.461 302 R HN 0.435 nan 8.270 nan 0.000 0.516 303 R N 0.264 120.742 120.500 -0.037 0.000 2.739 303 R HA 0.712 5.108 4.340 0.092 0.000 0.271 303 R C -1.673 174.563 176.300 -0.106 0.000 1.010 303 R CA -1.196 54.874 56.100 -0.051 0.000 0.897 303 R CB 1.207 31.494 30.300 -0.022 0.000 1.236 303 R HN 0.316 nan 8.270 nan 0.000 0.466 304 L N 2.275 123.416 121.223 -0.137 0.000 2.287 304 L HA 0.568 4.963 4.340 0.092 0.000 0.287 304 L C -0.695 176.068 176.870 -0.178 0.000 1.022 304 L CA -0.528 54.207 54.840 -0.175 0.000 0.814 304 L CB 1.796 43.736 42.059 -0.198 0.000 1.217 304 L HN 0.644 nan 8.230 nan 0.000 0.420 305 V N 1.402 121.177 119.914 -0.233 0.000 3.046 305 V HA 0.949 5.124 4.120 0.092 0.000 0.316 305 V C -0.204 175.672 176.094 -0.363 0.000 1.104 305 V CA -0.061 62.091 62.300 -0.247 0.000 1.006 305 V CB 1.799 33.493 31.823 -0.216 0.000 1.058 305 V HN 0.880 nan 8.190 nan 0.000 0.440 306 T N -0.338 114.009 114.554 -0.344 0.000 2.908 306 T HA 0.844 5.250 4.350 0.092 0.000 0.290 306 T C -0.813 173.722 174.700 -0.275 0.000 1.034 306 T CA -0.723 61.099 62.100 -0.464 0.000 1.010 306 T CB 1.659 70.177 68.868 -0.583 0.000 1.068 306 T HN 1.603 nan 8.240 nan 0.000 0.481 307 V N 0.647 120.404 119.914 -0.262 0.000 3.077 307 V HA 0.452 4.627 4.120 0.092 0.000 0.299 307 V C -1.616 174.402 176.094 -0.125 0.000 1.276 307 V CA -0.882 61.362 62.300 -0.093 0.000 0.993 307 V CB 2.362 34.222 31.823 0.061 0.000 1.076 307 V HN 1.196 nan 8.190 nan 0.000 0.434 308 D N 3.369 123.726 120.400 -0.071 0.000 2.350 308 D HA 0.542 5.238 4.640 0.092 0.000 0.249 308 D C 1.083 177.319 176.300 -0.106 0.000 1.119 308 D CA 0.693 54.644 54.000 -0.081 0.000 0.886 308 D CB 2.020 42.792 40.800 -0.046 0.000 1.195 308 D HN 0.796 nan 8.370 nan 0.000 0.437 309 A N 3.348 126.066 122.820 -0.170 0.000 2.125 309 A HA -0.043 4.333 4.320 0.092 0.000 0.219 309 A C 1.980 179.528 177.584 -0.060 0.000 1.156 309 A CA 1.542 53.438 52.037 -0.234 0.000 0.671 309 A CB -0.543 18.099 19.000 -0.596 0.000 0.794 309 A HN 0.632 nan 8.150 nan 0.000 0.459 310 A N -1.098 121.714 122.820 -0.014 0.000 2.119 310 A HA 0.066 4.441 4.320 0.092 0.000 0.216 310 A C 0.979 178.542 177.584 -0.034 0.000 1.152 310 A CA 1.264 53.304 52.037 0.006 0.000 0.708 310 A CB -0.163 18.846 19.000 0.014 0.000 0.805 310 A HN 0.439 nan 8.150 nan 0.000 0.460 311 N N -1.270 117.387 118.700 -0.072 0.000 2.785 311 N HA 0.163 4.959 4.740 0.092 0.000 0.224 311 N C -2.666 172.792 175.510 -0.086 0.000 1.448 311 N CA -0.955 52.014 53.050 -0.136 0.000 0.748 311 N CB 1.166 39.478 38.487 -0.291 0.000 1.385 311 N HN 0.002 nan 8.380 nan 0.000 0.538 312 P HA 0.173 nan 4.420 nan 0.000 0.253 312 P C 0.753 178.239 177.300 0.310 0.000 1.260 312 P CA 0.077 63.258 63.100 0.135 0.000 0.800 312 P CB -0.087 31.640 31.700 0.045 0.000 1.162 313 G N 2.186 111.133 108.800 0.245 0.000 2.554 313 G HA2 0.076 4.092 3.960 0.092 0.000 0.238 313 G HA3 0.076 4.092 3.960 0.092 0.000 0.238 313 G C -1.554 173.178 174.900 -0.279 0.000 1.259 313 G CA -0.855 44.299 45.100 0.090 0.000 0.843 313 G HN 0.010 nan 8.290 nan 0.000 0.582 314 P HA -0.190 nan 4.420 nan 0.000 0.217 314 P C 2.023 178.720 177.300 -1.005 0.000 1.151 314 P CA 2.086 64.098 63.100 -1.814 0.000 0.849 314 P CB 0.183 31.108 31.700 -1.293 0.000 0.787 315 A N -1.190 121.231 122.820 -0.665 0.000 2.070 315 A HA -0.198 4.177 4.320 0.092 0.000 0.220 315 A C 1.368 178.590 177.584 -0.604 0.000 1.159 315 A CA 1.524 53.205 52.037 -0.593 0.000 0.656 315 A CB -1.493 17.131 19.000 -0.627 0.000 0.800 315 A HN 0.350 nan 8.150 nan 0.000 0.453 316 H N -3.338 115.646 119.070 -0.144 0.000 2.586 316 H HA 0.111 4.722 4.556 0.092 0.000 0.273 316 H C -0.416 174.999 175.328 0.144 0.000 0.997 316 H CA -0.536 55.514 56.048 0.003 0.000 1.177 316 H CB 0.105 29.884 29.762 0.027 0.000 1.471 316 H HN 0.529 nan 8.280 nan 0.000 0.538 317 W N 2.394 123.680 121.300 -0.023 0.000 2.210 317 W HA 0.245 4.966 4.660 0.102 0.000 0.330 317 W C 0.716 177.197 176.519 -0.063 0.000 1.334 317 W CA -0.623 56.689 57.345 -0.055 0.000 1.227 317 W CB -0.030 29.385 29.460 -0.074 0.000 1.178 317 W HN 0.077 nan 8.180 nan 0.000 0.560 318 R N 2.732 123.312 120.500 0.134 0.000 2.480 318 R HA 0.216 4.611 4.340 0.092 0.000 0.306 318 R C -0.712 175.580 176.300 -0.013 0.000 0.958 318 R CA -0.728 55.397 56.100 0.042 0.000 0.861 318 R CB 0.898 31.203 30.300 0.009 0.000 1.171 318 R HN 0.266 nan 8.270 nan 0.000 0.445 319 D N 3.738 124.133 120.400 -0.008 0.000 2.455 319 D HA -0.015 4.681 4.640 0.092 0.000 0.241 319 D C 0.562 176.818 176.300 -0.073 0.000 1.138 319 D CA 0.228 54.203 54.000 -0.041 0.000 0.877 319 D CB 1.412 42.197 40.800 -0.025 0.000 1.187 319 D HN 0.415 nan 8.370 nan 0.000 0.451 320 L N 2.733 123.888 121.223 -0.114 0.000 2.515 320 L HA 0.328 4.723 4.340 0.092 0.000 0.202 320 L C 0.310 177.078 176.870 -0.170 0.000 1.056 320 L CA 0.628 55.392 54.840 -0.126 0.000 0.847 320 L CB 0.470 42.442 42.059 -0.145 0.000 1.131 320 L HN 0.343 nan 8.230 nan 0.000 0.484 321 I N 1.567 122.011 120.570 -0.210 0.000 2.464 321 I HA 0.322 4.548 4.170 0.092 0.000 0.277 321 I C -2.277 173.768 176.117 -0.119 0.000 1.040 321 I CA -1.898 59.248 61.300 -0.256 0.000 1.153 321 I CB 1.311 39.062 38.000 -0.415 0.000 1.274 321 I HN 0.027 nan 8.210 nan 0.000 0.469 322 P HA -0.009 nan 4.420 nan 0.000 0.269 322 P C -0.157 177.147 177.300 0.006 0.000 1.217 322 P CA -0.207 62.880 63.100 -0.022 0.000 0.783 322 P CB 0.586 32.280 31.700 -0.010 0.000 0.898 323 E N 2.341 122.548 120.200 0.013 0.000 2.413 323 E HA -0.012 4.394 4.350 0.092 0.000 0.263 323 E C -0.095 176.522 176.600 0.029 0.000 1.015 323 E CA 0.070 56.490 56.400 0.033 0.000 0.916 323 E CB 0.387 30.101 29.700 0.024 0.000 0.947 323 E HN 0.260 nan 8.360 nan 0.000 0.440 324 R N 2.284 122.810 120.500 0.044 0.000 3.029 324 R HA 0.193 4.589 4.340 0.092 0.000 0.239 324 R C 0.904 177.200 176.300 -0.006 0.000 1.351 324 R CA -0.817 55.272 56.100 -0.019 0.000 1.052 324 R CB 0.222 30.444 30.300 -0.130 0.000 1.354 324 R HN 0.552 nan 8.270 nan 0.000 0.499 325 Q N 0.591 120.370 119.800 -0.036 0.000 2.436 325 Q HA -0.030 4.365 4.340 0.092 0.000 0.209 325 Q C -0.171 175.839 176.000 0.016 0.000 0.965 325 Q CA 1.163 56.962 55.803 -0.007 0.000 0.910 325 Q CB 0.167 28.894 28.738 -0.019 0.000 0.980 325 Q HN 0.363 nan 8.270 nan 0.000 0.491 326 Q N -0.384 119.420 119.800 0.007 0.000 2.266 326 Q HA 0.369 4.764 4.340 0.092 0.000 0.261 326 Q C -0.703 175.411 176.000 0.190 0.000 0.985 326 Q CA -0.458 55.391 55.803 0.076 0.000 0.873 326 Q CB 2.187 30.960 28.738 0.058 0.000 1.306 326 Q HN -0.145 nan 8.270 nan 0.000 0.447 327 V N 2.626 122.623 119.914 0.137 0.000 2.585 327 V HA 0.030 4.205 4.120 0.092 0.000 0.296 327 V C -0.233 175.916 176.094 0.091 0.000 1.035 327 V CA -0.164 62.193 62.300 0.094 0.000 1.084 327 V CB 0.272 32.110 31.823 0.026 0.000 0.953 327 V HN 0.597 nan 8.190 nan 0.000 0.483 328 L N 5.910 127.131 121.223 -0.004 0.000 2.307 328 L HA 0.639 5.034 4.340 0.092 0.000 0.282 328 L C 0.137 176.858 176.870 -0.247 0.000 1.051 328 L CA 0.818 55.508 54.840 -0.251 0.000 0.804 328 L CB 1.761 43.708 42.059 -0.187 0.000 1.197 328 L HN 0.714 nan 8.230 nan 0.000 0.431 329 T N 4.271 118.625 114.554 -0.333 0.000 2.848 329 T HA 0.620 5.025 4.350 0.092 0.000 0.285 329 T C -1.012 173.477 174.700 -0.352 0.000 0.995 329 T CA -0.394 61.536 62.100 -0.284 0.000 0.970 329 T CB 1.619 70.366 68.868 -0.202 0.000 0.976 329 T HN 0.373 nan 8.240 nan 0.000 0.441 330 V N 4.682 124.370 119.914 -0.377 0.000 2.555 330 V HA 0.529 4.704 4.120 0.092 0.000 0.302 330 V C -0.465 175.391 176.094 -0.396 0.000 1.038 330 V CA -0.850 61.262 62.300 -0.312 0.000 0.887 330 V CB 1.591 33.278 31.823 -0.225 0.000 0.991 330 V HN 0.850 nan 8.190 nan 0.000 0.434 331 H N 1.845 120.947 119.070 0.054 0.000 2.771 331 H HA 0.774 5.371 4.556 0.068 0.000 0.367 331 H C -0.431 175.041 175.328 0.239 0.000 1.172 331 H CA -0.531 55.603 56.048 0.145 0.000 1.186 331 H CB 2.426 32.305 29.762 0.195 0.000 1.790 331 H HN 0.723 nan 8.280 nan 0.000 0.556 332 S N 0.031 115.966 115.700 0.393 0.000 2.564 332 S HA 0.811 5.336 4.470 0.092 0.000 0.274 332 S C -0.288 174.591 174.600 0.464 0.000 1.124 332 S CA -0.526 57.914 58.200 0.401 0.000 0.869 332 S CB 2.788 66.129 63.200 0.236 0.000 1.105 332 S HN 1.044 nan 8.310 nan 0.000 0.472 333 G N -0.183 108.957 108.800 0.567 0.000 2.473 333 G HA2 0.495 4.511 3.960 0.092 0.000 0.298 333 G HA3 0.495 4.511 3.960 0.092 0.000 0.298 333 G C -0.189 175.040 174.900 0.548 0.000 1.575 333 G CA -0.110 45.284 45.100 0.490 0.000 0.846 333 G HN 1.669 nan 8.290 nan 0.000 0.585 334 S N -0.987 114.949 115.700 0.394 0.000 3.521 334 S HA -0.038 4.488 4.470 0.092 0.000 0.328 334 S C 2.008 176.748 174.600 0.233 0.000 1.165 334 S CA 2.317 60.723 58.200 0.344 0.000 0.941 334 S CB -1.280 62.185 63.200 0.442 0.000 0.951 334 S HN 2.921 nan 8.310 nan 0.000 0.539 335 G N -1.464 107.423 108.800 0.145 0.000 2.143 335 G HA2 -0.313 3.703 3.960 0.092 0.000 0.249 335 G HA3 -0.313 3.703 3.960 0.092 0.000 0.249 335 G C -0.246 174.531 174.900 -0.205 0.000 0.981 335 G CA 0.547 45.531 45.100 -0.193 0.000 0.665 335 G HN 0.720 nan 8.290 nan 0.000 0.528 336 Y N -1.255 119.265 120.300 0.368 0.000 2.602 336 Y HA 0.766 5.364 4.550 0.081 0.000 0.342 336 Y C 0.499 176.370 175.900 -0.049 0.000 1.029 336 Y CA -1.189 56.994 58.100 0.137 0.000 1.080 336 Y CB 1.555 39.939 38.460 -0.127 0.000 1.284 336 Y HN 0.092 nan 8.280 nan 0.000 0.485 337 L N 1.948 123.055 121.223 -0.194 0.000 2.334 337 L HA 0.547 4.942 4.340 0.092 0.000 0.276 337 L C -1.518 175.087 176.870 -0.443 0.000 1.014 337 L CA -0.595 54.082 54.840 -0.271 0.000 0.815 337 L CB 1.380 43.223 42.059 -0.360 0.000 1.268 337 L HN 0.454 nan 8.230 nan 0.000 0.428 338 F N 1.612 121.597 119.950 0.059 0.000 2.445 338 F HA 0.555 5.129 4.527 0.078 0.000 0.348 338 F C 0.379 176.141 175.800 -0.064 0.000 1.125 338 F CA -0.639 57.344 58.000 -0.028 0.000 0.983 338 F CB 1.735 40.628 39.000 -0.179 0.000 1.198 338 F HN 0.406 nan 8.300 nan 0.000 0.436 339 A N 3.341 126.207 122.820 0.076 0.000 2.269 339 A HA 0.437 4.813 4.320 0.092 0.000 0.302 339 A C -0.217 177.231 177.584 -0.226 0.000 1.266 339 A CA -0.426 51.536 52.037 -0.125 0.000 0.894 339 A CB 0.351 19.335 19.000 -0.026 0.000 1.147 339 A HN 0.757 nan 8.150 nan 0.000 0.537 340 E N 2.482 122.480 120.200 -0.338 0.000 2.166 340 E HA 0.577 4.983 4.350 0.092 0.000 0.275 340 E C -1.498 174.852 176.600 -0.417 0.000 0.941 340 E CA -0.253 56.005 56.400 -0.238 0.000 0.784 340 E CB 0.790 30.470 29.700 -0.033 0.000 1.115 340 E HN 0.655 nan 8.360 nan 0.000 0.399 344 D N 3.962 124.378 120.400 0.026 0.000 2.697 344 D HA -0.251 4.444 4.640 0.092 0.000 0.238 344 D C 1.161 177.459 176.300 -0.004 0.000 1.152 344 D CA 1.735 55.793 54.000 0.097 0.000 0.666 344 D CB -0.755 40.263 40.800 0.363 0.000 1.037 344 D HN 1.912 nan 8.370 nan 0.000 0.423 345 A N -1.879 120.857 122.820 -0.139 0.000 3.413 345 A HA -0.267 4.109 4.320 0.092 0.000 0.268 345 A C 0.938 178.509 177.584 -0.021 0.000 1.128 345 A CA 2.509 54.494 52.037 -0.086 0.000 1.062 345 A CB -2.122 16.851 19.000 -0.045 0.000 1.121 345 A HN 1.215 nan 8.150 nan 0.000 0.895 346 T N -3.363 111.198 114.554 0.011 0.000 2.901 346 T HA 0.869 5.274 4.350 0.092 0.000 0.293 346 T C -0.039 174.690 174.700 0.050 0.000 1.084 346 T CA 0.142 62.261 62.100 0.031 0.000 1.008 346 T CB 1.728 70.636 68.868 0.067 0.000 1.170 346 T HN 2.009 nan 8.240 nan 0.000 0.509 347 A N 2.016 124.874 122.820 0.063 0.000 2.407 347 A HA 0.722 5.098 4.320 0.092 0.000 0.248 347 A C 0.148 177.778 177.584 0.077 0.000 1.082 347 A CA -0.604 51.477 52.037 0.073 0.000 0.785 347 A CB 0.100 19.148 19.000 0.080 0.000 1.020 347 A HN 0.739 nan 8.150 nan 0.000 0.489 348 R N 0.628 121.166 120.500 0.064 0.000 2.651 348 R HA 0.610 5.006 4.340 0.092 0.000 0.278 348 R C -1.872 174.431 176.300 0.006 0.000 1.010 348 R CA -0.638 55.489 56.100 0.044 0.000 0.896 348 R CB 1.832 32.184 30.300 0.086 0.000 1.211 348 R HN 0.454 nan 8.270 nan 0.000 0.456 349 V N 2.143 121.999 119.914 -0.097 0.000 2.577 349 V HA 0.394 4.569 4.120 0.092 0.000 0.303 349 V C -0.424 175.579 176.094 -0.152 0.000 1.042 349 V CA -0.792 61.378 62.300 -0.217 0.000 0.872 349 V CB 2.391 33.846 31.823 -0.614 0.000 0.998 349 V HN 0.628 nan 8.190 nan 0.000 0.423 350 E N 2.883 123.062 120.200 -0.035 0.000 2.187 350 E HA 0.442 4.847 4.350 0.092 0.000 0.268 350 E C -0.898 175.659 176.600 -0.073 0.000 0.896 350 E CA -0.586 55.784 56.400 -0.050 0.000 0.766 350 E CB 2.603 32.344 29.700 0.069 0.000 1.142 350 E HN 0.679 nan 8.360 nan 0.000 0.408 351 Q N 3.589 123.251 119.800 -0.231 0.000 2.278 351 Q HA 0.375 4.771 4.340 0.092 0.000 0.257 351 Q C -1.506 174.257 176.000 -0.395 0.000 0.928 351 Q CA -0.293 55.292 55.803 -0.364 0.000 0.932 351 Q CB 0.584 29.179 28.738 -0.239 0.000 1.221 351 Q HN 0.398 nan 8.270 nan 0.000 0.434 352 F N 1.917 121.716 119.950 -0.252 0.000 2.577 352 F HA 0.298 4.877 4.527 0.087 0.000 0.318 352 F C -0.065 175.756 175.800 0.035 0.000 1.065 352 F CA -0.771 57.179 58.000 -0.084 0.000 0.929 352 F CB 1.605 40.544 39.000 -0.101 0.000 1.237 352 F HN 0.658 nan 8.300 nan 0.000 0.468 353 D N -0.471 120.118 120.400 0.314 0.000 2.388 353 D HA 0.115 4.811 4.640 0.092 0.000 0.254 353 D C 0.094 176.522 176.300 0.215 0.000 1.111 353 D CA -0.392 53.769 54.000 0.270 0.000 0.993 353 D CB 0.342 41.265 40.800 0.205 0.000 1.118 353 D HN 0.434 nan 8.370 nan 0.000 0.502 354 Y N -0.961 119.322 120.300 -0.028 0.000 2.680 354 Y HA 0.050 4.644 4.550 0.072 0.000 0.303 354 Y C 1.138 177.132 175.900 0.155 0.000 1.166 354 Y CA 0.618 58.711 58.100 -0.012 0.000 1.344 354 Y CB -0.099 38.259 38.460 -0.169 0.000 1.002 354 Y HN 0.409 nan 8.280 nan 0.000 0.537 355 E N -1.240 119.102 120.200 0.236 0.000 2.481 355 E HA 0.229 4.635 4.350 0.092 0.000 0.198 355 E C 1.778 178.466 176.600 0.146 0.000 1.027 355 E CA 0.568 57.073 56.400 0.176 0.000 0.900 355 E CB 0.245 30.021 29.700 0.127 0.000 0.993 355 E HN 0.285 nan 8.360 nan 0.000 0.482 356 G N 0.985 109.883 108.800 0.165 0.000 2.157 356 G HA2 -0.327 3.689 3.960 0.092 0.000 0.248 356 G HA3 -0.327 3.689 3.960 0.092 0.000 0.248 356 G C 0.346 175.424 174.900 0.297 0.000 0.979 356 G CA 0.282 45.470 45.100 0.147 0.000 0.650 356 G HN 0.144 nan 8.290 nan 0.000 0.529 357 K N 0.922 121.483 120.400 0.268 0.000 2.258 357 K HA 0.528 4.904 4.320 0.092 0.000 0.284 357 K C 0.791 177.492 176.600 0.169 0.000 1.051 357 K CA -0.836 55.578 56.287 0.211 0.000 0.923 357 K CB 0.420 32.992 32.500 0.119 0.000 1.046 357 K HN 0.307 nan 8.250 nan 0.000 0.474 358 R N 3.722 124.210 120.500 -0.019 0.000 2.421 358 R HA 0.042 4.438 4.340 0.092 0.000 0.305 358 R C 0.206 176.325 176.300 -0.302 0.000 1.039 358 R CA -0.065 55.693 56.100 -0.571 0.000 1.003 358 R CB 0.362 30.331 30.300 -0.551 0.000 0.959 358 R HN 0.565 nan 8.270 nan 0.000 0.427 359 V N 5.270 124.994 119.914 -0.317 0.000 2.426 359 V HA 0.030 4.205 4.120 0.092 0.000 0.242 359 V C 0.655 176.650 176.094 -0.164 0.000 1.036 359 V CA 1.501 63.704 62.300 -0.161 0.000 1.044 359 V CB -0.476 31.269 31.823 -0.130 0.000 0.688 359 V HN 0.921 nan 8.190 nan 0.000 0.462 360 R N 0.002 120.374 120.500 -0.212 0.000 2.774 360 R HA 0.397 4.793 4.340 0.092 0.000 0.279 360 R C -1.150 175.058 176.300 -0.154 0.000 1.022 360 R CA -0.746 55.269 56.100 -0.141 0.000 0.855 360 R CB 1.391 31.654 30.300 -0.062 0.000 1.279 360 R HN 0.118 nan 8.270 nan 0.000 0.485 361 E N 1.632 121.769 120.200 -0.105 0.000 2.197 361 E HA 0.321 4.726 4.350 0.092 0.000 0.281 361 E C -0.697 175.862 176.600 -0.068 0.000 0.995 361 E CA -0.899 55.444 56.400 -0.096 0.000 0.808 361 E CB 1.715 31.372 29.700 -0.072 0.000 1.093 361 E HN 0.387 nan 8.360 nan 0.000 0.394 362 V N 3.366 123.211 119.914 -0.114 0.000 2.655 362 V HA 0.129 4.304 4.120 0.092 0.000 0.300 362 V C 0.529 176.563 176.094 -0.100 0.000 1.044 362 V CA 0.196 62.423 62.300 -0.121 0.000 1.095 362 V CB 0.959 32.548 31.823 -0.390 0.000 0.952 362 V HN 0.812 nan 8.190 nan 0.000 0.485 363 A N 7.112 129.915 122.820 -0.028 0.000 2.915 363 A HA 0.456 4.832 4.320 0.092 0.000 0.292 363 A C 0.113 177.637 177.584 -0.099 0.000 1.632 363 A CA -0.301 51.710 52.037 -0.043 0.000 1.337 363 A CB -0.737 18.262 19.000 -0.001 0.000 1.111 363 A HN 0.791 nan 8.150 nan 0.000 0.569 364 L N 1.831 122.961 121.223 -0.155 0.000 2.467 364 L HA 0.138 4.534 4.340 0.092 0.000 0.270 364 L C -1.189 175.471 176.870 -0.349 0.000 1.205 364 L CA -1.438 53.258 54.840 -0.241 0.000 0.828 364 L CB 0.472 42.434 42.059 -0.161 0.000 1.101 364 L HN 0.397 nan 8.230 nan 0.000 0.479 365 P HA 0.012 nan 4.420 nan 0.000 0.242 365 P C 0.352 177.301 177.300 -0.585 0.000 1.198 365 P CA 0.539 63.202 63.100 -0.727 0.000 0.756 365 P CB 0.129 31.192 31.700 -1.062 0.000 0.911 366 G N -1.615 106.936 108.800 -0.416 0.000 2.320 366 G HA2 0.021 4.037 3.960 0.092 0.000 0.274 366 G HA3 0.021 4.037 3.960 0.092 0.000 0.274 366 G C -1.878 173.144 174.900 0.203 0.000 1.324 366 G CA -0.976 44.100 45.100 -0.040 0.000 0.957 366 G HN 0.016 nan 8.290 nan 0.000 0.481 367 L N 1.476 122.885 121.223 0.311 0.000 2.264 367 L HA 0.706 5.102 4.340 0.092 0.000 0.289 367 L C 0.993 178.038 176.870 0.293 0.000 1.044 367 L CA 0.371 55.380 54.840 0.281 0.000 0.807 367 L CB 0.616 42.779 42.059 0.174 0.000 1.192 367 L HN 1.391 nan 8.230 nan 0.000 0.425 368 G N 1.812 110.723 108.800 0.185 0.000 2.474 368 G HA2 0.330 4.346 3.960 0.092 0.000 0.234 368 G HA3 0.330 4.346 3.960 0.092 0.000 0.234 368 G C -1.576 173.198 174.900 -0.210 0.000 1.204 368 G CA -0.334 44.640 45.100 -0.210 0.000 0.939 368 G HN 0.376 nan 8.290 nan 0.000 0.491 369 S N -0.455 115.004 115.700 -0.401 0.000 2.503 369 S HA 0.762 5.288 4.470 0.092 0.000 0.301 369 S C -0.010 174.516 174.600 -0.123 0.000 1.087 369 S CA -0.241 57.844 58.200 -0.192 0.000 1.042 369 S CB 1.596 64.689 63.200 -0.179 0.000 1.043 369 S HN 1.542 nan 8.310 nan 0.000 0.489 370 V N 0.156 120.100 119.914 0.049 0.000 3.103 370 V HA 1.041 5.216 4.120 0.092 0.000 0.318 370 V C -0.354 175.816 176.094 0.126 0.000 1.114 370 V CA -0.845 61.563 62.300 0.179 0.000 1.020 370 V CB 1.606 33.593 31.823 0.273 0.000 1.085 370 V HN 0.986 nan 8.190 nan 0.000 0.446 371 S N -0.331 115.459 115.700 0.151 0.000 2.596 371 S HA 1.000 5.526 4.470 0.092 0.000 0.270 371 S C 0.094 174.708 174.600 0.022 0.000 1.155 371 S CA 0.168 58.408 58.200 0.067 0.000 0.827 371 S CB 1.126 64.359 63.200 0.056 0.000 1.130 371 S HN 2.916 nan 8.310 nan 0.000 0.467 372 G N 0.881 109.636 108.800 -0.075 0.000 2.466 372 G HA2 0.226 4.242 3.960 0.092 0.000 0.218 372 G HA3 0.226 4.242 3.960 0.092 0.000 0.218 372 G C -0.093 174.672 174.900 -0.225 0.000 1.237 372 G CA 0.066 45.086 45.100 -0.132 0.000 0.954 372 G HN 1.847 nan 8.290 nan 0.000 0.580 373 F N -0.100 119.713 119.950 -0.229 0.000 2.988 373 F HA -0.182 4.390 4.527 0.075 0.000 0.287 373 F C 0.702 176.408 175.800 -0.156 0.000 0.781 373 F CA 1.172 58.920 58.000 -0.420 0.000 1.221 373 F CB -1.759 36.807 39.000 -0.724 0.000 1.392 373 F HN 0.633 nan 8.300 nan 0.000 0.425 374 N N -0.081 118.668 118.700 0.082 0.000 2.408 374 N HA 0.710 5.505 4.740 0.092 0.000 0.280 374 N C 0.351 175.961 175.510 0.167 0.000 1.002 374 N CA 0.054 53.208 53.050 0.172 0.000 0.907 374 N CB 1.857 40.430 38.487 0.143 0.000 1.161 374 N HN 0.351 nan 8.380 nan 0.000 0.488 375 G N 0.658 109.580 108.800 0.204 0.000 2.608 375 G HA2 0.344 4.360 3.960 0.092 0.000 0.291 375 G HA3 0.344 4.360 3.960 0.092 0.000 0.291 375 G C -1.286 173.711 174.900 0.162 0.000 1.425 375 G CA -0.680 44.535 45.100 0.191 0.000 0.787 375 G HN 0.316 nan 8.290 nan 0.000 0.484 376 K N -0.867 119.610 120.400 0.128 0.000 2.098 376 K HA 0.315 4.690 4.320 0.092 0.000 0.244 376 K C 1.104 177.784 176.600 0.133 0.000 1.014 376 K CA -0.521 55.798 56.287 0.053 0.000 0.917 376 K CB 1.024 33.545 32.500 0.036 0.000 1.072 376 K HN 0.671 nan 8.250 nan 0.000 0.477 377 H N 0.629 119.750 119.070 0.086 0.000 2.353 377 H HA -0.167 4.464 4.556 0.125 0.000 0.298 377 H C 1.056 176.410 175.328 0.043 0.000 1.103 377 H CA 1.568 57.641 56.048 0.040 0.000 1.293 377 H CB 0.226 29.981 29.762 -0.012 0.000 1.372 377 H HN 0.641 nan 8.280 nan 0.000 0.501 378 D N 0.501 121.009 120.400 0.180 0.000 2.328 378 D HA -0.037 4.658 4.640 0.092 0.000 0.221 378 D C -0.334 176.036 176.300 0.117 0.000 1.072 378 D CA -0.021 54.050 54.000 0.119 0.000 0.850 378 D CB -0.240 40.614 40.800 0.089 0.000 0.922 378 D HN 0.156 nan 8.370 nan 0.000 0.516 379 D N 2.754 123.241 120.400 0.145 0.000 2.458 379 D HA 0.021 4.716 4.640 0.092 0.000 0.243 379 D C -0.902 175.483 176.300 0.142 0.000 1.146 379 D CA -1.295 52.797 54.000 0.152 0.000 0.877 379 D CB 1.572 42.483 40.800 0.184 0.000 1.176 379 D HN 0.097 nan 8.370 nan 0.000 0.461 380 P HA 0.008 nan 4.420 nan 0.000 0.225 380 P C -0.287 177.046 177.300 0.054 0.000 1.156 380 P CA 0.546 63.697 63.100 0.085 0.000 0.787 380 P CB 0.665 32.409 31.700 0.074 0.000 0.802 381 A N -0.884 121.962 122.820 0.044 0.000 2.606 381 A HA 0.695 5.071 4.320 0.092 0.000 0.293 381 A C -1.349 176.186 177.584 -0.081 0.000 1.082 381 A CA -0.662 51.334 52.037 -0.068 0.000 0.685 381 A CB 0.752 19.618 19.000 -0.223 0.000 1.284 381 A HN -0.014 nan 8.150 nan 0.000 0.408 382 L N 0.031 121.181 121.223 -0.123 0.000 2.319 382 L HA 0.693 5.089 4.340 0.092 0.000 0.267 382 L C -1.321 175.307 176.870 -0.403 0.000 1.011 382 L CA -0.758 54.034 54.840 -0.080 0.000 0.818 382 L CB 1.863 43.988 42.059 0.109 0.000 1.316 382 L HN 0.779 nan 8.230 nan 0.000 0.432 383 Y N 0.832 121.065 120.300 -0.112 0.000 2.499 383 Y HA 0.636 5.226 4.550 0.068 0.000 0.347 383 Y C -0.415 175.320 175.900 -0.275 0.000 0.987 383 Y CA -0.747 57.229 58.100 -0.206 0.000 1.044 383 Y CB 2.094 40.409 38.460 -0.242 0.000 1.245 383 Y HN 0.386 nan 8.280 nan 0.000 0.461 384 F N -0.844 118.937 119.950 -0.281 0.000 2.613 384 F HA 0.965 5.540 4.527 0.079 0.000 0.310 384 F C -0.497 175.276 175.800 -0.045 0.000 1.085 384 F CA -1.420 56.325 58.000 -0.424 0.000 0.945 384 F CB 1.258 39.566 39.000 -1.154 0.000 1.298 384 F HN 0.582 nan 8.300 nan 0.000 0.455 385 G N 1.098 110.006 108.800 0.181 0.000 2.417 385 G HA2 0.641 4.657 3.960 0.092 0.000 0.334 385 G HA3 0.641 4.657 3.960 0.092 0.000 0.334 385 G C -2.438 172.714 174.900 0.421 0.000 1.150 385 G CA -0.818 44.395 45.100 0.188 0.000 0.923 385 G HN 0.852 nan 8.290 nan 0.000 0.485 386 F N 0.693 120.780 119.950 0.228 0.000 2.601 386 F HA 0.665 5.245 4.527 0.088 0.000 0.309 386 F C -0.596 175.287 175.800 0.139 0.000 1.089 386 F CA -0.716 57.430 58.000 0.244 0.000 0.940 386 F CB 2.133 41.344 39.000 0.352 0.000 1.273 386 F HN 0.773 nan 8.300 nan 0.000 0.450 387 E N 2.943 122.649 120.200 -0.823 0.000 2.409 387 E HA 0.531 4.937 4.350 0.092 0.000 0.280 387 E C -2.177 173.999 176.600 -0.707 0.000 1.079 387 E CA -1.059 55.034 56.400 -0.511 0.000 0.840 387 E CB 2.374 31.957 29.700 -0.196 0.000 1.309 387 E HN 0.662 nan 8.360 nan 0.000 0.447 388 N N -0.704 117.796 118.700 -0.333 0.000 3.364 388 N HA 0.145 4.940 4.740 0.092 0.000 0.294 388 N C -0.408 175.022 175.510 -0.133 0.000 1.562 388 N CA -0.795 52.065 53.050 -0.316 0.000 0.862 388 N CB -0.445 37.919 38.487 -0.205 0.000 1.691 388 N HN 0.452 nan 8.380 nan 0.000 0.572 389 Y N -0.693 119.630 120.300 0.039 0.000 2.315 389 Y HA 0.129 4.737 4.550 0.096 0.000 0.288 389 Y C 2.153 178.068 175.900 0.025 0.000 1.154 389 Y CA 2.010 60.126 58.100 0.027 0.000 1.229 389 Y CB -0.510 38.011 38.460 0.102 0.000 0.980 389 Y HN 0.744 nan 8.280 nan 0.000 0.540 390 A N -1.031 121.907 122.820 0.197 0.000 2.303 390 A HA 0.107 4.482 4.320 0.092 0.000 0.217 390 A C 0.690 178.336 177.584 0.102 0.000 1.205 390 A CA -0.086 52.023 52.037 0.120 0.000 0.875 390 A CB 0.093 19.190 19.000 0.161 0.000 0.910 390 A HN 0.335 nan 8.150 nan 0.000 0.501 391 Q N 1.046 120.920 119.800 0.123 0.000 2.310 391 Q HA 0.354 4.749 4.340 0.092 0.000 0.270 391 Q C -2.988 172.878 176.000 -0.224 0.000 1.025 391 Q CA -2.599 53.207 55.803 0.005 0.000 0.772 391 Q CB 2.799 31.634 28.738 0.161 0.000 1.253 391 Q HN 0.150 nan 8.270 nan 0.000 0.450 392 P HA 0.178 nan 4.420 nan 0.000 0.272 392 P C -2.602 174.454 177.300 -0.407 0.000 1.230 392 P CA -1.424 60.963 63.100 -1.189 0.000 0.788 392 P CB -0.117 30.663 31.700 -1.534 0.000 0.949 393 P HA -0.027 nan 4.420 nan 0.000 0.255 393 P C -0.036 177.222 177.300 -0.071 0.000 1.161 393 P CA 1.119 64.179 63.100 -0.067 0.000 0.768 393 P CB -0.391 31.314 31.700 0.008 0.000 0.746 394 T N 1.647 116.191 114.554 -0.016 0.000 2.876 394 T HA 0.616 5.021 4.350 0.092 0.000 0.289 394 T C -0.601 173.985 174.700 -0.190 0.000 1.014 394 T CA -0.971 61.051 62.100 -0.129 0.000 0.986 394 T CB 0.829 69.610 68.868 -0.144 0.000 1.021 394 T HN 0.037 nan 8.240 nan 0.000 0.458 395 L N 2.910 123.949 121.223 -0.307 0.000 2.309 395 L HA 0.566 4.962 4.340 0.092 0.000 0.282 395 L C -0.988 175.577 176.870 -0.507 0.000 1.036 395 L CA -1.048 53.643 54.840 -0.249 0.000 0.806 395 L CB 0.989 43.050 42.059 0.002 0.000 1.220 395 L HN 0.718 nan 8.230 nan 0.000 0.429 396 Y N 1.595 121.649 120.300 -0.409 0.000 2.562 396 Y HA 0.539 5.142 4.550 0.087 0.000 0.343 396 Y C -0.060 175.616 175.900 -0.374 0.000 1.025 396 Y CA -0.820 56.989 58.100 -0.485 0.000 1.082 396 Y CB 1.947 39.774 38.460 -1.054 0.000 1.264 396 Y HN 0.448 nan 8.280 nan 0.000 0.478 397 R N 2.195 122.668 120.500 -0.045 0.000 2.393 397 R HA 0.508 4.903 4.340 0.092 0.000 0.310 397 R C -2.054 174.237 176.300 -0.015 0.000 0.968 397 R CA -0.519 55.431 56.100 -0.250 0.000 0.867 397 R CB 0.756 30.916 30.300 -0.235 0.000 1.124 397 R HN 0.650 nan 8.270 nan 0.000 0.450 398 F N 3.871 123.698 119.950 -0.205 0.000 2.449 398 F HA 0.345 4.922 4.527 0.083 0.000 0.342 398 F C -0.689 175.077 175.800 -0.056 0.000 1.127 398 F CA -0.799 57.194 58.000 -0.013 0.000 0.975 398 F CB 1.523 40.584 39.000 0.102 0.000 1.146 398 F HN 0.465 nan 8.300 nan 0.000 0.444 399 E N 7.996 127.843 120.200 -0.589 0.000 2.044 399 E HA 0.187 4.592 4.350 0.092 0.000 0.282 399 E C -2.090 174.025 176.600 -0.808 0.000 1.031 399 E CA -1.915 54.197 56.400 -0.480 0.000 0.824 399 E CB 1.026 30.551 29.700 -0.292 0.000 1.076 399 E HN 0.465 nan 8.360 nan 0.000 0.395 400 P HA -0.197 nan 4.420 nan 0.000 0.216 400 P C 0.984 178.106 177.300 -0.298 0.000 1.153 400 P CA 1.535 64.458 63.100 -0.294 0.000 0.858 400 P CB 0.376 32.215 31.700 0.232 0.000 0.789 401 K N -0.267 120.057 120.400 -0.127 0.000 1.984 401 K HA -0.082 4.293 4.320 0.092 0.000 0.209 401 K C 2.353 178.881 176.600 -0.121 0.000 1.046 401 K CA 2.097 58.352 56.287 -0.052 0.000 0.934 401 K CB -0.839 31.666 32.500 0.008 0.000 0.717 401 K HN 0.214 nan 8.250 nan 0.000 0.438 402 S N -0.588 115.018 115.700 -0.157 0.000 2.446 402 S HA 0.096 4.622 4.470 0.092 0.000 0.225 402 S C 1.617 176.118 174.600 -0.165 0.000 1.016 402 S CA 0.556 58.676 58.200 -0.133 0.000 0.943 402 S CB 0.208 63.343 63.200 -0.109 0.000 0.786 402 S HN 0.524 nan 8.310 nan 0.000 0.508 403 G N 1.094 109.694 108.800 -0.333 0.000 2.157 403 G HA2 -0.089 3.927 3.960 0.092 0.000 0.248 403 G HA3 -0.089 3.927 3.960 0.092 0.000 0.248 403 G C 0.242 175.054 174.900 -0.148 0.000 0.979 403 G CA -0.005 44.932 45.100 -0.273 0.000 0.650 403 G HN 1.288 nan 8.290 nan 0.000 0.529 404 A N -0.189 122.513 122.820 -0.197 0.000 2.462 404 A HA 0.667 5.042 4.320 0.092 0.000 0.243 404 A C 0.383 177.964 177.584 -0.006 0.000 1.076 404 A CA 0.468 52.462 52.037 -0.072 0.000 0.773 404 A CB 0.284 19.237 19.000 -0.077 0.000 1.010 404 A HN 0.871 nan 8.150 nan 0.000 0.493 405 I N 1.682 122.310 120.570 0.097 0.000 2.509 405 I HA 0.477 4.702 4.170 0.092 0.000 0.293 405 I C 0.127 176.327 176.117 0.137 0.000 1.020 405 I CA -0.236 61.178 61.300 0.189 0.000 1.088 405 I CB 2.433 40.589 38.000 0.260 0.000 1.267 405 I HN 0.756 nan 8.210 nan 0.000 0.430 406 S N 5.598 121.396 115.700 0.162 0.000 2.546 406 S HA 0.602 5.127 4.470 0.092 0.000 0.274 406 S C -0.929 173.791 174.600 0.200 0.000 1.121 406 S CA -0.864 57.425 58.200 0.149 0.000 0.887 406 S CB 1.952 65.198 63.200 0.077 0.000 1.094 406 S HN 0.517 nan 8.310 nan 0.000 0.474 407 L N 3.009 124.313 121.223 0.136 0.000 2.455 407 L HA 0.322 4.718 4.340 0.092 0.000 0.272 407 L C 0.308 177.141 176.870 -0.062 0.000 1.174 407 L CA 0.360 55.143 54.840 -0.095 0.000 0.869 407 L CB 0.136 42.120 42.059 -0.125 0.000 1.130 407 L HN 0.895 nan 8.230 nan 0.000 0.474 408 Y N 4.858 124.995 120.300 -0.272 0.000 2.506 408 Y HA 0.429 5.043 4.550 0.107 0.000 0.287 408 Y C 0.286 176.062 175.900 -0.205 0.000 1.147 408 Y CA 0.252 58.257 58.100 -0.159 0.000 1.241 408 Y CB 0.538 38.971 38.460 -0.046 0.000 1.279 408 Y HN 0.484 nan 8.280 nan 0.000 0.527 409 R N 0.961 121.276 120.500 -0.307 0.000 2.510 409 R HA 0.546 4.941 4.340 0.092 0.000 0.294 409 R C -0.859 175.271 176.300 -0.283 0.000 1.056 409 R CA -0.334 55.556 56.100 -0.351 0.000 0.918 409 R CB 1.227 31.344 30.300 -0.305 0.000 1.187 409 R HN 0.259 nan 8.270 nan 0.000 0.437 410 A N 1.736 124.406 122.820 -0.251 0.000 2.332 410 A HA 0.332 4.708 4.320 0.092 0.000 0.258 410 A C 0.433 177.910 177.584 -0.179 0.000 1.087 410 A CA -0.107 51.805 52.037 -0.210 0.000 0.802 410 A CB 0.651 19.552 19.000 -0.166 0.000 1.042 410 A HN 0.600 nan 8.150 nan 0.000 0.489 411 S N -0.241 115.353 115.700 -0.176 0.000 2.576 411 S HA 0.378 4.904 4.470 0.092 0.000 0.276 411 S C 1.101 175.594 174.600 -0.178 0.000 1.339 411 S CA 0.002 58.093 58.200 -0.181 0.000 1.039 411 S CB 0.786 63.814 63.200 -0.286 0.000 0.902 411 S HN 1.423 nan 8.310 nan 0.000 0.516 412 A N 3.771 126.515 122.820 -0.126 0.000 2.218 412 A HA 0.534 4.909 4.320 0.092 0.000 0.209 412 A C 1.092 178.534 177.584 -0.237 0.000 1.168 412 A CA 0.444 52.424 52.037 -0.095 0.000 0.804 412 A CB -0.787 18.241 19.000 0.047 0.000 0.834 412 A HN 1.192 nan 8.150 nan 0.000 0.482 413 A N 1.678 124.133 122.820 -0.609 0.000 2.546 413 A HA 0.417 4.792 4.320 0.092 0.000 0.243 413 A C -1.574 175.791 177.584 -0.365 0.000 1.063 413 A CA -0.718 50.807 52.037 -0.853 0.000 0.757 413 A CB -0.211 18.182 19.000 -1.012 0.000 0.991 413 A HN 0.279 nan 8.150 nan 0.000 0.503 414 P HA 0.162 nan 4.420 nan 0.000 0.246 414 P C -1.123 175.645 177.300 -0.887 0.000 1.675 414 P CA 0.621 63.393 63.100 -0.547 0.000 0.908 414 P CB -0.798 30.604 31.700 -0.496 0.000 1.890 415 F N -0.086 119.827 119.950 -0.061 0.000 2.573 415 F HA 0.344 4.926 4.527 0.092 0.000 0.316 415 F C 0.675 176.533 175.800 0.095 0.000 1.148 415 F CA -1.014 57.024 58.000 0.063 0.000 0.940 415 F CB 2.180 41.169 39.000 -0.019 0.000 1.214 415 F HN -0.310 nan 8.300 nan 0.000 0.448 416 K N 4.536 125.147 120.400 0.353 0.000 2.292 416 K HA 0.202 4.578 4.320 0.092 0.000 0.290 416 K C -2.026 174.771 176.600 0.327 0.000 1.083 416 K CA -1.404 55.010 56.287 0.211 0.000 0.918 416 K CB 0.993 33.545 32.500 0.087 0.000 1.089 416 K HN 0.239 nan 8.250 nan 0.000 0.473 417 P HA -0.275 nan 4.420 nan 0.000 0.217 417 P C 1.091 178.526 177.300 0.225 0.000 1.151 417 P CA 1.248 64.504 63.100 0.259 0.000 0.849 417 P CB 0.212 31.985 31.700 0.121 0.000 0.787 418 E N -0.613 119.656 120.200 0.116 0.000 2.338 418 E HA -0.180 4.225 4.350 0.092 0.000 0.197 418 E C 0.751 177.346 176.600 -0.008 0.000 1.007 418 E CA 1.158 57.592 56.400 0.056 0.000 0.849 418 E CB -0.954 28.763 29.700 0.027 0.000 0.774 418 E HN 0.271 nan 8.360 nan 0.000 0.506 419 D N -0.144 120.198 120.400 -0.097 0.000 2.355 419 D HA 0.036 4.732 4.640 0.092 0.000 0.218 419 D C -0.284 175.679 176.300 -0.562 0.000 1.004 419 D CA 0.460 54.241 54.000 -0.365 0.000 0.880 419 D CB 0.013 40.471 40.800 -0.570 0.000 0.911 419 D HN 0.237 nan 8.370 nan 0.000 0.528 420 Y N -0.807 119.523 120.300 0.051 0.000 2.524 420 Y HA 0.521 5.126 4.550 0.093 0.000 0.344 420 Y C 0.066 175.953 175.900 -0.022 0.000 1.012 420 Y CA -1.133 56.982 58.100 0.025 0.000 1.068 420 Y CB 2.070 40.560 38.460 0.050 0.000 1.249 420 Y HN -0.386 nan 8.280 nan 0.000 0.468 421 V N 0.928 120.849 119.914 0.012 0.000 3.049 421 V HA 0.788 4.963 4.120 0.092 0.000 0.309 421 V C -1.334 174.620 176.094 -0.233 0.000 1.148 421 V CA -0.397 61.839 62.300 -0.108 0.000 0.990 421 V CB 2.363 34.085 31.823 -0.168 0.000 1.039 421 V HN 0.779 nan 8.190 nan 0.000 0.430 422 S N 3.603 119.251 115.700 -0.086 0.000 2.547 422 S HA 0.729 5.255 4.470 0.092 0.000 0.281 422 S C -1.202 173.418 174.600 0.033 0.000 1.118 422 S CA -0.399 57.784 58.200 -0.029 0.000 0.947 422 S CB 1.595 64.859 63.200 0.106 0.000 1.053 422 S HN 1.014 nan 8.310 nan 0.000 0.482 423 E N 2.544 122.784 120.200 0.067 0.000 2.343 423 E HA 0.484 4.889 4.350 0.092 0.000 0.270 423 E C -1.203 175.460 176.600 0.105 0.000 0.895 423 E CA -1.022 55.449 56.400 0.119 0.000 0.767 423 E CB 1.608 31.421 29.700 0.188 0.000 1.248 423 E HN 0.527 nan 8.360 nan 0.000 0.440 424 Q N 2.009 121.861 119.800 0.087 0.000 2.322 424 Q HA 0.348 4.743 4.340 0.092 0.000 0.265 424 Q C -0.967 174.995 176.000 -0.063 0.000 0.985 424 Q CA -0.847 54.943 55.803 -0.023 0.000 0.849 424 Q CB 1.116 29.829 28.738 -0.042 0.000 1.274 424 Q HN 0.404 nan 8.270 nan 0.000 0.449 425 R N 2.588 122.994 120.500 -0.155 0.000 2.902 425 R HA 0.573 4.969 4.340 0.092 0.000 0.258 425 R C -1.150 174.867 176.300 -0.473 0.000 1.071 425 R CA -0.639 55.430 56.100 -0.050 0.000 1.024 425 R CB 1.022 31.471 30.300 0.248 0.000 1.184 425 R HN 0.591 nan 8.270 nan 0.000 0.492 426 F N 1.053 121.034 119.950 0.052 0.000 2.557 426 F HA 0.358 4.939 4.527 0.091 0.000 0.316 426 F C -0.287 175.411 175.800 -0.171 0.000 1.141 426 F CA -0.894 57.069 58.000 -0.062 0.000 0.922 426 F CB 1.262 40.240 39.000 -0.037 0.000 1.194 426 F HN 0.411 nan 8.300 nan 0.000 0.443 427 Y N 0.036 120.214 120.300 -0.204 0.000 2.630 427 Y HA 0.658 5.263 4.550 0.092 0.000 0.337 427 Y C -0.861 174.994 175.900 -0.075 0.000 1.051 427 Y CA -1.507 56.372 58.100 -0.368 0.000 1.121 427 Y CB 1.095 39.066 38.460 -0.816 0.000 1.299 427 Y HN 0.600 nan 8.280 nan 0.000 0.498 428 Q N 2.133 122.018 119.800 0.141 0.000 2.257 428 Q HA 0.452 4.848 4.340 0.092 0.000 0.255 428 Q C -0.612 175.516 176.000 0.213 0.000 0.920 428 Q CA -0.600 55.266 55.803 0.105 0.000 0.927 428 Q CB 1.585 30.387 28.738 0.107 0.000 1.229 428 Q HN 0.917 nan 8.270 nan 0.000 0.433 429 S N 2.485 118.260 115.700 0.125 0.000 2.686 429 S HA 0.133 4.659 4.470 0.092 0.000 0.270 429 S C 1.008 175.673 174.600 0.109 0.000 1.194 429 S CA -0.321 57.978 58.200 0.166 0.000 0.990 429 S CB 1.107 64.365 63.200 0.097 0.000 1.029 429 S HN 0.841 nan 8.310 nan 0.000 0.560 430 K N 0.355 120.811 120.400 0.093 0.000 2.059 430 K HA -0.191 4.185 4.320 0.092 0.000 0.212 430 K C 0.865 177.491 176.600 0.043 0.000 1.050 430 K CA 2.272 58.598 56.287 0.065 0.000 0.927 430 K CB -0.423 32.109 32.500 0.055 0.000 0.714 430 K HN 0.760 nan 8.250 nan 0.000 0.447 431 D N -1.774 118.642 120.400 0.026 0.000 2.319 431 D HA 0.078 4.773 4.640 0.092 0.000 0.230 431 D C 0.921 177.229 176.300 0.015 0.000 1.094 431 D CA 0.669 54.676 54.000 0.012 0.000 0.856 431 D CB 0.337 41.133 40.800 -0.007 0.000 0.915 431 D HN 0.446 nan 8.370 nan 0.000 0.517 432 G N -0.548 108.269 108.800 0.028 0.000 2.199 432 G HA2 -0.285 3.731 3.960 0.092 0.000 0.254 432 G HA3 -0.285 3.731 3.960 0.092 0.000 0.254 432 G C 0.503 175.414 174.900 0.018 0.000 0.982 432 G CA 0.246 45.362 45.100 0.027 0.000 0.632 432 G HN 0.463 nan 8.290 nan 0.000 0.529 433 T N 2.811 117.373 114.554 0.014 0.000 2.928 433 T HA 0.372 4.777 4.350 0.092 0.000 0.305 433 T C 0.786 175.492 174.700 0.010 0.000 1.035 433 T CA 0.066 62.179 62.100 0.022 0.000 1.145 433 T CB 0.667 69.544 68.868 0.016 0.000 0.963 433 T HN 0.316 nan 8.240 nan 0.000 0.545 434 R N 2.339 122.848 120.500 0.015 0.000 2.298 434 R HA 0.425 4.821 4.340 0.092 0.000 0.310 434 R C -0.783 175.531 176.300 0.023 0.000 1.068 434 R CA -0.343 55.742 56.100 -0.025 0.000 0.957 434 R CB 0.814 31.084 30.300 -0.050 0.000 1.003 434 R HN 0.352 nan 8.270 nan 0.000 0.454 435 V N 5.762 125.551 119.914 -0.209 0.000 2.604 435 V HA 0.325 4.500 4.120 0.092 0.000 0.305 435 V C -2.242 173.723 176.094 -0.215 0.000 1.043 435 V CA -2.404 59.773 62.300 -0.204 0.000 0.888 435 V CB 2.159 33.593 31.823 -0.648 0.000 0.995 435 V HN 0.612 nan 8.190 nan 0.000 0.429 436 P HA 0.471 nan 4.420 nan 0.000 0.278 436 P C -1.169 176.096 177.300 -0.060 0.000 1.238 436 P CA -0.369 62.621 63.100 -0.183 0.000 0.794 436 P CB 0.904 32.607 31.700 0.005 0.000 0.955 437 L N 3.857 124.991 121.223 -0.147 0.000 2.528 437 L HA 0.480 4.875 4.340 0.092 0.000 0.267 437 L C -1.459 175.388 176.870 -0.038 0.000 0.961 437 L CA -0.249 54.613 54.840 0.038 0.000 0.866 437 L CB 1.009 43.176 42.059 0.180 0.000 1.248 437 L HN 0.239 nan 8.230 nan 0.000 0.404 438 I N 6.128 126.700 120.570 0.004 0.000 2.336 438 I HA 0.428 4.654 4.170 0.092 0.000 0.292 438 I C -0.522 175.590 176.117 -0.008 0.000 0.991 438 I CA -0.390 60.932 61.300 0.036 0.000 1.227 438 I CB 1.299 39.397 38.000 0.163 0.000 1.366 438 I HN 0.507 nan 8.210 nan 0.000 0.466 439 I N 5.536 126.119 120.570 0.022 0.000 2.406 439 I HA 0.366 4.592 4.170 0.092 0.000 0.290 439 I C -0.280 175.899 176.117 0.104 0.000 0.999 439 I CA -0.171 61.143 61.300 0.023 0.000 1.124 439 I CB 1.743 39.702 38.000 -0.068 0.000 1.289 439 I HN 0.463 nan 8.210 nan 0.000 0.441 440 S N 5.069 120.856 115.700 0.145 0.000 2.566 440 S HA 0.876 5.402 4.470 0.092 0.000 0.298 440 S C -1.159 173.578 174.600 0.229 0.000 1.083 440 S CA -0.672 57.570 58.200 0.070 0.000 0.978 440 S CB 1.968 65.270 63.200 0.170 0.000 1.073 440 S HN 0.620 nan 8.310 nan 0.000 0.491 441 Y N -1.520 118.906 120.300 0.210 0.000 2.851 441 Y HA 0.528 5.135 4.550 0.094 0.000 0.359 441 Y C -0.972 175.051 175.900 0.205 0.000 1.231 441 Y CA -1.480 56.731 58.100 0.186 0.000 1.106 441 Y CB 0.411 38.957 38.460 0.143 0.000 1.409 441 Y HN 0.471 nan 8.280 nan 0.000 0.454 442 R N 1.502 122.219 120.500 0.362 0.000 2.491 442 R HA 0.258 4.654 4.340 0.092 0.000 0.283 442 R C -0.414 176.006 176.300 0.201 0.000 1.072 442 R CA -0.725 55.457 56.100 0.137 0.000 1.048 442 R CB 0.705 31.020 30.300 0.024 0.000 0.983 442 R HN 0.620 nan 8.270 nan 0.000 0.450 443 K N 1.078 121.509 120.400 0.052 0.000 2.485 443 K HA 0.013 4.388 4.320 0.092 0.000 0.277 443 K C 0.620 177.270 176.600 0.084 0.000 0.990 443 K CA 1.513 57.858 56.287 0.098 0.000 0.994 443 K CB 0.451 32.959 32.500 0.012 0.000 0.906 443 K HN 0.734 nan 8.250 nan 0.000 0.488 444 G N 2.787 111.652 108.800 0.108 0.000 2.148 444 G HA2 -0.232 3.784 3.960 0.092 0.000 0.203 444 G HA3 -0.232 3.784 3.960 0.092 0.000 0.203 444 G C -0.243 174.672 174.900 0.025 0.000 0.993 444 G CA 0.053 45.181 45.100 0.047 0.000 0.661 444 G HN 0.640 nan 8.290 nan 0.000 0.518 445 L N 0.606 121.853 121.223 0.040 0.000 2.395 445 L HA 0.726 5.121 4.340 0.092 0.000 0.269 445 L C 0.253 177.053 176.870 -0.116 0.000 1.133 445 L CA -0.547 54.247 54.840 -0.077 0.000 0.812 445 L CB 0.493 42.404 42.059 -0.247 0.000 1.125 445 L HN 0.101 nan 8.230 nan 0.000 0.452 446 K N 5.708 126.032 120.400 -0.127 0.000 2.182 446 K HA 0.355 4.730 4.320 0.092 0.000 0.262 446 K C -0.633 175.855 176.600 -0.187 0.000 0.957 446 K CA -0.618 55.592 56.287 -0.129 0.000 0.842 446 K CB 1.732 34.179 32.500 -0.088 0.000 1.099 446 K HN 0.630 nan 8.250 nan 0.000 0.438 447 L N 3.977 125.063 121.223 -0.228 0.000 2.650 447 L HA -0.000 4.395 4.340 0.092 0.000 0.239 447 L C 0.298 177.048 176.870 -0.199 0.000 1.412 447 L CA 0.060 54.716 54.840 -0.307 0.000 1.219 447 L CB -0.910 40.922 42.059 -0.380 0.000 1.534 447 L HN 0.691 nan 8.230 nan 0.000 0.430 448 D N -1.073 119.240 120.400 -0.146 0.000 2.363 448 D HA 0.079 4.775 4.640 0.092 0.000 0.214 448 D C 1.335 177.587 176.300 -0.080 0.000 1.093 448 D CA 0.203 54.144 54.000 -0.099 0.000 0.837 448 D CB 0.498 41.253 40.800 -0.074 0.000 0.948 448 D HN 0.280 nan 8.370 nan 0.000 0.507 449 G N 0.614 109.360 108.800 -0.089 0.000 2.179 449 G HA2 -0.333 3.683 3.960 0.092 0.000 0.257 449 G HA3 -0.333 3.683 3.960 0.092 0.000 0.257 449 G C 0.893 175.779 174.900 -0.023 0.000 1.010 449 G CA 0.828 45.898 45.100 -0.051 0.000 0.736 449 G HN 0.764 nan 8.290 nan 0.000 0.513 450 S N -1.085 114.602 115.700 -0.022 0.000 2.559 450 S HA 0.229 4.755 4.470 0.092 0.000 0.226 450 S C 0.510 175.132 174.600 0.036 0.000 1.000 450 S CA -0.096 58.106 58.200 0.003 0.000 0.948 450 S CB 0.309 63.505 63.200 -0.007 0.000 0.870 450 S HN 0.382 nan 8.310 nan 0.000 0.497 451 N N 4.851 123.565 118.700 0.023 0.000 2.475 451 N HA 0.223 5.018 4.740 0.092 0.000 0.267 451 N C -2.882 172.681 175.510 0.087 0.000 1.169 451 N CA -0.964 52.104 53.050 0.029 0.000 0.947 451 N CB 0.585 39.071 38.487 -0.001 0.000 1.061 451 N HN 0.328 nan 8.380 nan 0.000 0.466 452 P HA 0.055 nan 4.420 nan 0.000 0.270 452 P C -0.624 176.858 177.300 0.304 0.000 1.242 452 P CA 0.181 63.398 63.100 0.195 0.000 0.768 452 P CB 0.443 32.166 31.700 0.037 0.000 0.820 453 T N 4.660 119.452 114.554 0.397 0.000 2.876 453 T HA 0.559 4.964 4.350 0.092 0.000 0.289 453 T C 0.125 175.057 174.700 0.388 0.000 1.014 453 T CA -0.415 61.937 62.100 0.421 0.000 0.986 453 T CB 1.138 70.135 68.868 0.216 0.000 1.021 453 T HN 0.235 nan 8.240 nan 0.000 0.458 454 I N 3.211 124.001 120.570 0.367 0.000 2.382 454 I HA 0.367 4.592 4.170 0.092 0.000 0.286 454 I C -1.007 175.174 176.117 0.107 0.000 1.002 454 I CA -0.922 60.477 61.300 0.165 0.000 1.135 454 I CB 1.598 39.594 38.000 -0.008 0.000 1.288 454 I HN 0.311 nan 8.210 nan 0.000 0.448 455 L N 8.650 129.912 121.223 0.064 0.000 2.264 455 L HA 0.449 4.845 4.340 0.092 0.000 0.289 455 L C -1.342 175.669 176.870 0.236 0.000 1.044 455 L CA -0.106 54.740 54.840 0.011 0.000 0.807 455 L CB 0.803 42.757 42.059 -0.175 0.000 1.192 455 L HN 0.437 nan 8.230 nan 0.000 0.425 456 Y N 4.281 124.618 120.300 0.062 0.000 2.468 456 Y HA 0.836 5.441 4.550 0.092 0.000 0.342 456 Y C 0.029 176.064 175.900 0.224 0.000 1.021 456 Y CA -0.067 58.128 58.100 0.158 0.000 1.079 456 Y CB 2.038 40.474 38.460 -0.040 0.000 1.226 456 Y HN 0.759 nan 8.280 nan 0.000 0.460 457 G N 2.812 111.288 108.800 -0.539 0.000 2.649 457 G HA2 0.307 4.323 3.960 0.092 0.000 0.290 457 G HA3 0.307 4.323 3.960 0.092 0.000 0.290 457 G C -2.070 172.474 174.900 -0.593 0.000 1.426 457 G CA -0.390 44.413 45.100 -0.495 0.000 0.794 457 G HN 0.635 nan 8.290 nan 0.000 0.483 458 Y N -0.269 119.799 120.300 -0.387 0.000 3.274 458 Y HA 0.468 5.075 4.550 0.094 0.000 0.174 458 Y C 1.464 177.289 175.900 -0.125 0.000 0.880 458 Y CA 1.552 59.521 58.100 -0.219 0.000 1.793 458 Y CB 0.494 38.924 38.460 -0.050 0.000 1.409 458 Y HN 1.765 nan 8.280 nan 0.000 0.368 459 G N 1.108 109.972 108.800 0.107 0.000 2.470 459 G HA2 0.359 4.375 3.960 0.092 0.000 0.286 459 G HA3 0.359 4.375 3.960 0.092 0.000 0.286 459 G C 0.000 174.861 174.900 -0.065 0.000 1.115 459 G CA 0.431 45.522 45.100 -0.014 0.000 1.122 459 G HN 1.394 nan 8.290 nan 0.000 0.522 460 G N -1.341 107.534 108.800 0.125 0.000 2.325 460 G HA2 0.611 4.626 3.960 0.092 0.000 0.297 460 G HA3 0.611 4.626 3.960 0.092 0.000 0.297 460 G C 0.026 175.085 174.900 0.264 0.000 1.448 460 G CA 0.183 45.309 45.100 0.042 0.000 0.838 460 G HN 1.449 nan 8.290 nan 0.000 0.579 461 F N -0.496 119.499 119.950 0.074 0.000 3.100 461 F HA -0.222 4.360 4.527 0.092 0.000 0.284 461 F C 1.210 176.814 175.800 -0.327 0.000 0.875 461 F CA 1.845 59.801 58.000 -0.074 0.000 1.039 461 F CB -1.358 37.650 39.000 0.012 0.000 1.111 461 F HN 1.005 nan 8.300 nan 0.000 0.575 462 D N -1.218 118.874 120.400 -0.513 0.000 3.012 462 D HA -0.186 4.510 4.640 0.092 0.000 0.222 462 D C -0.076 176.186 176.300 -0.065 0.000 1.167 462 D CA 0.991 54.772 54.000 -0.365 0.000 0.854 462 D CB -0.723 39.807 40.800 -0.451 0.000 1.107 462 D HN 0.233 nan 8.370 nan 0.000 0.421 463 V N 0.797 120.744 119.914 0.054 0.000 2.530 463 V HA 0.345 4.521 4.120 0.092 0.000 0.282 463 V C 0.776 176.900 176.094 0.049 0.000 1.048 463 V CA -0.063 62.251 62.300 0.024 0.000 0.997 463 V CB 1.725 33.515 31.823 -0.054 0.000 0.987 463 V HN 0.190 nan 8.190 nan 0.000 0.477 464 S N 6.039 121.741 115.700 0.004 0.000 2.462 464 S HA 0.546 5.072 4.470 0.092 0.000 0.294 464 S C -0.265 174.349 174.600 0.023 0.000 1.144 464 S CA -0.551 57.660 58.200 0.018 0.000 1.088 464 S CB 0.923 64.106 63.200 -0.029 0.000 1.009 464 S HN 0.514 nan 8.310 nan 0.000 0.484 465 L N 4.571 125.841 121.223 0.078 0.000 2.302 465 L HA 0.281 4.677 4.340 0.092 0.000 0.285 465 L C 0.671 177.605 176.870 0.107 0.000 1.090 465 L CA -0.413 54.502 54.840 0.125 0.000 0.866 465 L CB -0.120 42.071 42.059 0.220 0.000 1.244 465 L HN 0.667 nan 8.230 nan 0.000 0.435 466 T N 0.709 115.290 114.554 0.045 0.000 2.902 466 T HA 0.526 4.931 4.350 0.092 0.000 0.283 466 T C -2.463 172.171 174.700 -0.111 0.000 1.009 466 T CA -2.270 59.818 62.100 -0.020 0.000 1.051 466 T CB 1.463 70.301 68.868 -0.051 0.000 0.999 466 T HN 0.161 nan 8.240 nan 0.000 0.474 467 P HA 0.277 nan 4.420 nan 0.000 0.265 467 P C -0.600 176.340 177.300 -0.601 0.000 1.193 467 P CA -0.039 62.572 63.100 -0.815 0.000 0.765 467 P CB 0.408 31.730 31.700 -0.629 0.000 0.823 468 S N 2.279 117.564 115.700 -0.691 0.000 2.533 468 S HA 0.541 5.067 4.470 0.092 0.000 0.271 468 S C -1.103 173.385 174.600 -0.187 0.000 1.143 468 S CA -0.909 57.114 58.200 -0.294 0.000 0.891 468 S CB 0.623 63.734 63.200 -0.148 0.000 1.105 468 S HN 0.213 nan 8.310 nan 0.000 0.468 469 F N 2.828 122.654 119.950 -0.207 0.000 2.443 469 F HA 0.656 5.238 4.527 0.092 0.000 0.353 469 F C 0.361 176.070 175.800 -0.151 0.000 1.101 469 F CA 0.453 58.351 58.000 -0.170 0.000 1.226 469 F CB 1.262 40.163 39.000 -0.166 0.000 1.140 469 F HN 0.841 nan 8.300 nan 0.000 0.557 470 S N 4.999 119.982 115.700 -1.196 0.000 2.619 470 S HA 0.407 4.933 4.470 0.092 0.000 0.280 470 S C 0.204 174.082 174.600 -1.204 0.000 1.150 470 S CA -0.774 56.901 58.200 -0.874 0.000 0.978 470 S CB 1.383 64.275 63.200 -0.513 0.000 1.041 470 S HN 0.547 nan 8.310 nan 0.000 0.485 471 V N 4.395 123.823 119.914 -0.808 0.000 2.332 471 V HA -0.109 4.066 4.120 0.092 0.000 0.248 471 V C 2.802 178.637 176.094 -0.431 0.000 1.055 471 V CA 2.528 64.486 62.300 -0.570 0.000 1.038 471 V CB -0.958 30.588 31.823 -0.463 0.000 0.651 471 V HN 0.971 nan 8.190 nan 0.000 0.450 472 S N -0.420 115.058 115.700 -0.371 0.000 2.359 472 S HA -0.190 4.335 4.470 0.092 0.000 0.224 472 S C 1.987 176.558 174.600 -0.049 0.000 1.035 472 S CA 2.109 60.319 58.200 0.017 0.000 1.018 472 S CB -0.260 63.009 63.200 0.116 0.000 0.876 472 S HN 0.322 nan 8.310 nan 0.000 0.448 473 V N 2.102 121.815 119.914 -0.334 0.000 2.427 473 V HA -0.093 4.082 4.120 0.092 0.000 0.248 473 V C 2.894 178.760 176.094 -0.381 0.000 1.051 473 V CA 1.673 63.705 62.300 -0.445 0.000 1.048 473 V CB -1.343 30.044 31.823 -0.726 0.000 0.666 473 V HN 0.636 nan 8.190 nan 0.000 0.456 474 A N -0.017 122.440 122.820 -0.605 0.000 1.933 474 A HA -0.235 4.140 4.320 0.092 0.000 0.218 474 A C 2.102 179.510 177.584 -0.293 0.000 1.175 474 A CA 1.928 53.550 52.037 -0.691 0.000 0.628 474 A CB -0.640 17.488 19.000 -1.452 0.000 0.814 474 A HN 0.621 nan 8.150 nan 0.000 0.444 475 N N -1.185 117.441 118.700 -0.124 0.000 2.188 475 N HA -0.162 4.633 4.740 0.092 0.000 0.184 475 N C 1.672 177.168 175.510 -0.023 0.000 1.018 475 N CA 1.276 54.377 53.050 0.085 0.000 0.858 475 N CB -0.278 38.328 38.487 0.199 0.000 0.989 475 N HN 0.849 nan 8.380 nan 0.000 0.426 476 W N 2.417 123.470 121.300 -0.411 0.000 2.358 476 W HA -0.103 4.612 4.660 0.092 0.000 0.303 476 W C 1.637 178.026 176.519 -0.216 0.000 1.208 476 W CA 0.673 57.699 57.345 -0.532 0.000 1.274 476 W CB -0.154 28.898 29.460 -0.681 0.000 1.138 476 W HN 0.007 nan 8.180 nan 0.000 0.515 477 L N 0.514 121.692 121.223 -0.076 0.000 2.046 477 L HA -0.247 4.148 4.340 0.092 0.000 0.208 477 L C 2.051 178.926 176.870 0.008 0.000 1.077 477 L CA 1.592 56.421 54.840 -0.018 0.000 0.747 477 L CB -1.229 40.925 42.059 0.158 0.000 0.896 477 L HN -0.157 nan 8.230 nan 0.000 0.432 478 D N 0.258 120.711 120.400 0.089 0.000 2.263 478 D HA -0.095 4.601 4.640 0.092 0.000 0.208 478 D C 2.120 178.384 176.300 -0.060 0.000 0.971 478 D CA 0.983 55.047 54.000 0.107 0.000 0.867 478 D CB 0.016 40.944 40.800 0.213 0.000 0.929 478 D HN 0.321 nan 8.370 nan 0.000 0.492 479 L N -0.986 120.112 121.223 -0.208 0.000 2.591 479 L HA 0.193 4.588 4.340 0.092 0.000 0.228 479 L C 1.460 178.075 176.870 -0.425 0.000 1.133 479 L CA 0.353 54.999 54.840 -0.324 0.000 0.880 479 L CB 0.106 41.912 42.059 -0.422 0.000 1.033 479 L HN 0.112 nan 8.230 nan 0.000 0.450 480 G N -0.345 108.237 108.800 -0.364 0.000 2.159 480 G HA2 -0.198 3.817 3.960 0.092 0.000 0.227 480 G HA3 -0.198 3.817 3.960 0.092 0.000 0.227 480 G C 0.505 175.143 174.900 -0.437 0.000 0.986 480 G CA -0.282 44.627 45.100 -0.317 0.000 0.651 480 G HN 0.484 nan 8.290 nan 0.000 0.523 481 G N -0.918 107.406 108.800 -0.793 0.000 2.507 481 G HA2 0.623 4.638 3.960 0.092 0.000 0.271 481 G HA3 0.623 4.638 3.960 0.092 0.000 0.271 481 G C -0.179 174.560 174.900 -0.268 0.000 1.189 481 G CA 0.097 44.577 45.100 -1.033 0.000 0.859 481 G HN 0.917 nan 8.290 nan 0.000 0.542 482 V N 1.043 121.045 119.914 0.145 0.000 2.513 482 V HA 0.346 4.522 4.120 0.092 0.000 0.299 482 V C -1.130 175.295 176.094 0.552 0.000 1.035 482 V CA -0.708 61.790 62.300 0.330 0.000 0.889 482 V CB 1.520 33.477 31.823 0.222 0.000 0.988 482 V HN 0.640 nan 8.190 nan 0.000 0.440 483 Y N 3.983 124.451 120.300 0.279 0.000 2.345 483 Y HA 0.737 5.342 4.550 0.092 0.000 0.331 483 Y C 0.038 175.943 175.900 0.008 0.000 0.959 483 Y CA -1.035 57.150 58.100 0.143 0.000 1.204 483 Y CB 1.316 39.809 38.460 0.054 0.000 1.135 483 Y HN 0.696 nan 8.280 nan 0.000 0.477 484 A N 5.714 128.334 122.820 -0.333 0.000 2.318 484 A HA 0.769 5.144 4.320 0.092 0.000 0.317 484 A C -1.667 175.665 177.584 -0.420 0.000 1.159 484 A CA -0.642 51.208 52.037 -0.313 0.000 0.799 484 A CB 0.857 19.758 19.000 -0.165 0.000 1.194 484 A HN 0.496 nan 8.150 nan 0.000 0.479 485 V N 2.225 121.933 119.914 -0.343 0.000 2.409 485 V HA 0.640 4.815 4.120 0.092 0.000 0.291 485 V C 0.464 176.598 176.094 0.066 0.000 1.020 485 V CA -0.359 61.849 62.300 -0.153 0.000 0.848 485 V CB 1.327 33.011 31.823 -0.231 0.000 0.990 485 V HN 1.142 nan 8.190 nan 0.000 0.430 486 A N 4.176 127.111 122.820 0.192 0.000 2.290 486 A HA 0.563 4.939 4.320 0.092 0.000 0.310 486 A C 0.228 177.973 177.584 0.267 0.000 1.202 486 A CA -0.618 51.587 52.037 0.281 0.000 0.837 486 A CB 0.306 19.562 19.000 0.427 0.000 1.139 486 A HN 0.765 nan 8.150 nan 0.000 0.509 487 N N 3.281 122.143 118.700 0.271 0.000 3.188 487 N HA 0.195 4.991 4.740 0.092 0.000 0.279 487 N C -0.299 175.489 175.510 0.463 0.000 1.213 487 N CA 0.116 53.350 53.050 0.307 0.000 1.138 487 N CB 0.268 38.890 38.487 0.226 0.000 1.417 487 N HN 0.598 nan 8.380 nan 0.000 0.526 488 L N 0.677 122.101 121.223 0.335 0.000 2.482 488 L HA 0.162 4.557 4.340 0.092 0.000 0.273 488 L C 1.471 178.380 176.870 0.064 0.000 1.228 488 L CA -0.160 54.804 54.840 0.207 0.000 0.827 488 L CB 0.475 42.575 42.059 0.069 0.000 1.099 488 L HN 0.150 nan 8.230 nan 0.000 0.494 489 R N 0.166 120.407 120.500 -0.432 0.000 2.738 489 R HA 0.234 4.630 4.340 0.092 0.000 0.268 489 R C 1.045 177.084 176.300 -0.435 0.000 1.062 489 R CA 0.944 56.432 56.100 -1.020 0.000 1.158 489 R CB 0.263 29.948 30.300 -1.024 0.000 1.046 489 R HN 0.932 nan 8.270 nan 0.000 0.493 490 G N 0.199 108.805 108.800 -0.323 0.000 2.254 490 G HA2 -0.226 3.790 3.960 0.092 0.000 0.225 490 G HA3 -0.226 3.790 3.960 0.092 0.000 0.225 490 G C 0.468 175.447 174.900 0.132 0.000 1.003 490 G CA -0.202 44.866 45.100 -0.054 0.000 0.622 490 G HN 0.883 nan 8.290 nan 0.000 0.507 491 G N -0.532 108.383 108.800 0.193 0.000 2.535 491 G HA2 0.571 4.587 3.960 0.092 0.000 0.282 491 G HA3 0.571 4.587 3.960 0.092 0.000 0.282 491 G C 1.004 176.099 174.900 0.324 0.000 1.350 491 G CA 0.193 45.463 45.100 0.283 0.000 1.039 491 G HN 1.307 nan 8.290 nan 0.000 0.509 492 G N -1.456 107.457 108.800 0.188 0.000 3.502 492 G HA2 0.291 4.307 3.960 0.092 0.000 0.267 492 G HA3 0.291 4.307 3.960 0.092 0.000 0.267 492 G C 0.864 175.763 174.900 -0.002 0.000 1.090 492 G CA 0.076 45.243 45.100 0.112 0.000 0.795 492 G HN 0.506 nan 8.290 nan 0.000 0.535 493 E N 0.013 120.153 120.200 -0.100 0.000 2.204 493 E HA -0.084 4.321 4.350 0.092 0.000 0.195 493 E C 0.038 176.068 176.600 -0.951 0.000 0.990 493 E CA 0.997 57.061 56.400 -0.561 0.000 0.821 493 E CB -0.106 29.155 29.700 -0.731 0.000 0.750 493 E HN 0.594 nan 8.360 nan 0.000 0.477 494 Y N -0.629 119.465 120.300 -0.344 0.000 2.629 494 Y HA 0.437 5.043 4.550 0.094 0.000 0.282 494 Y C 0.705 176.605 175.900 -0.001 0.000 0.994 494 Y CA -0.221 57.726 58.100 -0.254 0.000 1.126 494 Y CB 0.795 38.943 38.460 -0.520 0.000 1.187 494 Y HN 0.080 nan 8.280 nan 0.000 0.600 495 G N 0.626 109.502 108.800 0.127 0.000 2.750 495 G HA2 -0.343 3.673 3.960 0.092 0.000 0.228 495 G HA3 -0.343 3.673 3.960 0.092 0.000 0.228 495 G C 0.889 175.926 174.900 0.229 0.000 1.367 495 G CA 0.230 45.422 45.100 0.153 0.000 0.871 495 G HN 0.427 nan 8.290 nan 0.000 0.560 496 Q N -0.385 119.526 119.800 0.186 0.000 2.152 496 Q HA -0.078 4.317 4.340 0.092 0.000 0.206 496 Q C 2.864 178.981 176.000 0.195 0.000 0.985 496 Q CA 2.891 58.815 55.803 0.202 0.000 0.863 496 Q CB -0.432 28.387 28.738 0.135 0.000 0.904 496 Q HN 1.438 nan 8.270 nan 0.000 0.422 497 A N 0.646 123.578 122.820 0.187 0.000 1.930 497 A HA -0.183 4.193 4.320 0.092 0.000 0.217 497 A C 1.823 179.540 177.584 0.222 0.000 1.175 497 A CA 1.024 53.156 52.037 0.159 0.000 0.627 497 A CB -1.347 17.742 19.000 0.148 0.000 0.815 497 A HN 0.795 nan 8.150 nan 0.000 0.443 498 W N -0.071 121.291 121.300 0.104 0.000 2.381 498 W HA -0.187 4.530 4.660 0.094 0.000 0.301 498 W C 2.173 178.767 176.519 0.126 0.000 1.205 498 W CA 1.767 59.187 57.345 0.126 0.000 1.285 498 W CB -0.425 29.159 29.460 0.207 0.000 1.133 498 W HN 0.720 nan 8.180 nan 0.000 0.521 499 H N 0.198 119.381 119.070 0.188 0.000 2.261 499 H HA -0.181 4.431 4.556 0.093 0.000 0.301 499 H C 2.477 177.769 175.328 -0.059 0.000 1.067 499 H CA 2.035 58.114 56.048 0.051 0.000 1.297 499 H CB -0.492 29.328 29.762 0.097 0.000 1.377 499 H HN 0.031 nan 8.280 nan 0.000 0.492 500 L N 0.670 121.774 121.223 -0.199 0.000 2.187 500 L HA -0.145 4.251 4.340 0.092 0.000 0.213 500 L C 2.811 179.527 176.870 -0.256 0.000 1.100 500 L CA 0.773 55.416 54.840 -0.328 0.000 0.765 500 L CB -0.492 41.450 42.059 -0.194 0.000 0.904 500 L HN 0.384 nan 8.230 nan 0.000 0.437 501 A N -0.038 122.667 122.820 -0.193 0.000 2.248 501 A HA 0.067 4.443 4.320 0.092 0.000 0.210 501 A C 1.771 179.182 177.584 -0.289 0.000 1.174 501 A CA 1.209 53.111 52.037 -0.224 0.000 0.750 501 A CB -0.588 18.279 19.000 -0.222 0.000 0.780 501 A HN 0.447 nan 8.150 nan 0.000 0.478 502 G N -0.584 108.039 108.800 -0.296 0.000 3.969 502 G HA2 0.389 4.405 3.960 0.092 0.000 0.291 502 G HA3 0.389 4.405 3.960 0.092 0.000 0.291 502 G C 0.313 175.028 174.900 -0.308 0.000 1.016 502 G CA 0.632 45.541 45.100 -0.318 0.000 0.819 502 G HN 0.550 nan 8.290 nan 0.000 0.493 503 T N -3.224 111.135 114.554 -0.324 0.000 2.942 503 T HA 0.574 4.980 4.350 0.092 0.000 0.289 503 T C 0.537 175.062 174.700 -0.291 0.000 1.044 503 T CA -0.255 61.643 62.100 -0.335 0.000 1.023 503 T CB 2.463 71.041 68.868 -0.484 0.000 1.123 503 T HN 0.216 nan 8.240 nan 0.000 0.512 504 Q N 0.693 120.363 119.800 -0.217 0.000 2.049 504 Q HA -0.345 4.051 4.340 0.092 0.000 0.409 504 Q C 1.162 176.956 176.000 -0.344 0.000 0.726 504 Q CA 1.984 57.670 55.803 -0.194 0.000 0.896 504 Q CB -1.413 27.170 28.738 -0.258 0.000 3.134 504 Q HN 0.941 nan 8.270 nan 0.000 0.836 505 Q N 1.185 120.643 119.800 -0.570 0.000 2.387 505 Q HA 0.059 4.454 4.340 0.092 0.000 0.211 505 Q C 0.545 176.061 176.000 -0.808 0.000 0.952 505 Q CA 0.443 55.528 55.803 -1.197 0.000 0.957 505 Q CB -0.148 28.079 28.738 -0.852 0.000 1.002 505 Q HN 0.338 nan 8.270 nan 0.000 0.502 506 N N -0.589 117.854 118.700 -0.429 0.000 2.171 506 N HA -0.002 4.793 4.740 0.092 0.000 0.212 506 N C 1.033 176.403 175.510 -0.233 0.000 1.184 506 N CA -0.148 52.751 53.050 -0.252 0.000 0.888 506 N CB 0.454 38.792 38.487 -0.248 0.000 1.038 506 N HN -0.083 nan 8.380 nan 0.000 0.517 507 K N 1.600 121.871 120.400 -0.216 0.000 2.113 507 K HA -0.176 4.199 4.320 0.092 0.000 0.208 507 K C 1.987 178.153 176.600 -0.724 0.000 1.047 507 K CA 1.373 57.394 56.287 -0.444 0.000 0.928 507 K CB -0.074 32.168 32.500 -0.430 0.000 0.716 507 K HN 0.019 nan 8.250 nan 0.000 0.446 508 Q N 0.654 120.249 119.800 -0.342 0.000 2.297 508 Q HA -0.111 4.285 4.340 0.092 0.000 0.208 508 Q C 1.262 177.104 176.000 -0.262 0.000 0.981 508 Q CA 1.565 57.204 55.803 -0.273 0.000 0.876 508 Q CB -0.341 28.401 28.738 0.006 0.000 0.921 508 Q HN 0.379 nan 8.270 nan 0.000 0.446 509 N N -0.946 117.592 118.700 -0.270 0.000 2.166 509 N HA -0.119 4.676 4.740 0.092 0.000 0.186 509 N C 1.567 176.924 175.510 -0.255 0.000 1.019 509 N CA 1.443 54.361 53.050 -0.221 0.000 0.856 509 N CB -0.240 38.100 38.487 -0.245 0.000 0.993 509 N HN 0.166 nan 8.380 nan 0.000 0.426 510 V N 1.047 120.706 119.914 -0.426 0.000 2.295 510 V HA -0.201 3.974 4.120 0.092 0.000 0.246 510 V C 1.917 177.923 176.094 -0.148 0.000 1.049 510 V CA 1.385 63.460 62.300 -0.375 0.000 1.024 510 V CB -0.709 30.778 31.823 -0.561 0.000 0.648 510 V HN 0.079 nan 8.190 nan 0.000 0.447 511 F N 0.629 120.526 119.950 -0.088 0.000 2.186 511 F HA -0.087 4.496 4.527 0.092 0.000 0.299 511 F C 2.328 178.165 175.800 0.062 0.000 1.090 511 F CA 0.858 58.850 58.000 -0.014 0.000 1.307 511 F CB -1.179 37.774 39.000 -0.077 0.000 1.019 511 F HN 0.223 nan 8.300 nan 0.000 0.489 512 D N 0.277 120.782 120.400 0.174 0.000 2.144 512 D HA -0.145 4.551 4.640 0.092 0.000 0.200 512 D C 1.750 178.150 176.300 0.168 0.000 0.978 512 D CA 1.345 55.427 54.000 0.137 0.000 0.833 512 D CB -0.403 40.439 40.800 0.070 0.000 0.961 512 D HN 0.211 nan 8.370 nan 0.000 0.470 513 D N -0.073 120.422 120.400 0.158 0.000 2.117 513 D HA -0.143 4.553 4.640 0.092 0.000 0.197 513 D C 1.788 178.324 176.300 0.394 0.000 0.987 513 D CA 0.469 54.624 54.000 0.258 0.000 0.829 513 D CB -0.414 40.476 40.800 0.150 0.000 0.961 513 D HN 0.142 nan 8.370 nan 0.000 0.460 514 F N 1.054 121.088 119.950 0.140 0.000 2.163 514 F HA 0.001 4.583 4.527 0.092 0.000 0.297 514 F C 2.191 178.023 175.800 0.053 0.000 1.094 514 F CA 0.563 58.625 58.000 0.103 0.000 1.290 514 F CB -0.373 38.685 39.000 0.096 0.000 1.017 514 F HN -0.121 nan 8.300 nan 0.000 0.483 515 I N -0.165 120.501 120.570 0.161 0.000 2.208 515 I HA -0.333 3.893 4.170 0.092 0.000 0.245 515 I C 2.582 178.683 176.117 -0.027 0.000 1.097 515 I CA 1.315 62.630 61.300 0.025 0.000 1.363 515 I CB -0.802 37.247 38.000 0.081 0.000 1.051 515 I HN 0.154 nan 8.210 nan 0.000 0.413 516 A N 0.536 123.381 122.820 0.042 0.000 1.972 516 A HA -0.119 4.257 4.320 0.092 0.000 0.219 516 A C 2.516 179.918 177.584 -0.304 0.000 1.169 516 A CA 1.653 53.698 52.037 0.012 0.000 0.635 516 A CB -0.681 18.457 19.000 0.229 0.000 0.810 516 A HN 0.440 nan 8.150 nan 0.000 0.446 517 A N 0.000 122.529 122.820 -0.485 0.000 1.902 517 A HA 0.166 4.542 4.320 0.092 0.000 0.217 517 A C 2.506 179.858 177.584 -0.387 0.000 1.181 517 A CA 2.007 53.565 52.037 -0.799 0.000 0.623 517 A CB -1.008 17.736 19.000 -0.427 0.000 0.818 517 A HN 1.020 nan 8.150 nan 0.000 0.443 518 A N -0.216 122.411 122.820 -0.320 0.000 1.902 518 A HA -0.150 4.226 4.320 0.092 0.000 0.217 518 A C 1.915 179.431 177.584 -0.113 0.000 1.181 518 A CA 1.683 53.584 52.037 -0.226 0.000 0.623 518 A CB -0.435 18.419 19.000 -0.243 0.000 0.818 518 A HN 0.486 nan 8.150 nan 0.000 0.443 519 E N -1.141 119.008 120.200 -0.084 0.000 2.110 519 E HA -0.205 4.201 4.350 0.092 0.000 0.193 519 E C 1.815 178.428 176.600 0.022 0.000 0.988 519 E CA 1.452 57.841 56.400 -0.019 0.000 0.804 519 E CB -0.574 29.133 29.700 0.010 0.000 0.745 519 E HN 0.816 nan 8.360 nan 0.000 0.458 520 Y N 1.533 121.753 120.300 -0.133 0.000 2.145 520 Y HA -0.144 4.461 4.550 0.092 0.000 0.286 520 Y C 2.253 178.151 175.900 -0.003 0.000 1.145 520 Y CA 1.264 59.318 58.100 -0.077 0.000 1.148 520 Y CB -0.354 37.995 38.460 -0.184 0.000 0.981 520 Y HN -0.082 nan 8.280 nan 0.000 0.507 521 L N 0.038 121.265 121.223 0.007 0.000 2.127 521 L HA -0.251 4.144 4.340 0.092 0.000 0.211 521 L C 2.318 179.211 176.870 0.039 0.000 1.089 521 L CA 1.684 56.540 54.840 0.027 0.000 0.757 521 L CB -0.439 41.614 42.059 -0.010 0.000 0.899 521 L HN 0.204 nan 8.230 nan 0.000 0.434 522 K N -0.159 120.233 120.400 -0.014 0.000 2.044 522 K HA -0.018 4.357 4.320 0.092 0.000 0.204 522 K C 2.263 178.831 176.600 -0.053 0.000 1.049 522 K CA 1.116 57.392 56.287 -0.020 0.000 0.945 522 K CB -0.249 32.239 32.500 -0.019 0.000 0.724 522 K HN 0.212 nan 8.250 nan 0.000 0.440 523 A N 1.761 124.539 122.820 -0.070 0.000 1.972 523 A HA -0.158 4.218 4.320 0.092 0.000 0.219 523 A C 1.674 179.171 177.584 -0.145 0.000 1.169 523 A CA 1.420 53.407 52.037 -0.083 0.000 0.635 523 A CB -0.177 18.795 19.000 -0.046 0.000 0.810 523 A HN 0.157 nan 8.150 nan 0.000 0.446 524 E N -1.370 118.691 120.200 -0.230 0.000 2.489 524 E HA 0.178 4.583 4.350 0.092 0.000 0.193 524 E C 1.264 177.683 176.600 -0.302 0.000 1.057 524 E CA 0.658 56.892 56.400 -0.277 0.000 0.866 524 E CB -0.075 29.408 29.700 -0.361 0.000 0.916 524 E HN 0.780 nan 8.360 nan 0.000 0.500 525 G N 0.730 109.404 108.800 -0.211 0.000 2.176 525 G HA2 -0.351 3.665 3.960 0.092 0.000 0.253 525 G HA3 -0.351 3.665 3.960 0.092 0.000 0.253 525 G C 0.780 175.520 174.900 -0.266 0.000 0.979 525 G CA 0.490 45.450 45.100 -0.232 0.000 0.641 525 G HN 0.307 nan 8.290 nan 0.000 0.530 526 Y N 0.309 120.535 120.300 -0.123 0.000 2.184 526 Y HA 0.326 4.932 4.550 0.093 0.000 0.290 526 Y C 2.179 178.032 175.900 -0.079 0.000 1.129 526 Y CA 2.178 60.208 58.100 -0.117 0.000 1.144 526 Y CB -0.002 38.402 38.460 -0.094 0.000 0.995 526 Y HN 0.411 nan 8.280 nan 0.000 0.513 527 T N -1.214 113.401 114.554 0.102 0.000 2.618 527 T HA 0.640 5.046 4.350 0.092 0.000 0.293 527 T C -1.592 173.124 174.700 0.026 0.000 1.093 527 T CA -0.947 61.191 62.100 0.063 0.000 1.061 527 T CB 1.408 70.331 68.868 0.092 0.000 1.498 527 T HN 0.202 nan 8.240 nan 0.000 0.494 528 R N -0.626 119.888 120.500 0.024 0.000 2.752 528 R HA 0.563 4.959 4.340 0.092 0.000 0.271 528 R C 0.636 176.941 176.300 0.008 0.000 1.026 528 R CA -0.531 55.572 56.100 0.005 0.000 0.901 528 R CB 0.094 30.391 30.300 -0.006 0.000 1.243 528 R HN 0.489 nan 8.270 nan 0.000 0.463 529 T N 0.582 115.135 114.554 -0.002 0.000 2.620 529 T HA -0.246 4.160 4.350 0.092 0.000 0.267 529 T C 0.925 175.624 174.700 -0.001 0.000 1.044 529 T CA 2.462 64.560 62.100 -0.003 0.000 1.161 529 T CB -0.612 68.253 68.868 -0.006 0.000 0.862 529 T HN 0.836 nan 8.240 nan 0.000 0.438 530 D N 0.201 120.597 120.400 -0.007 0.000 2.363 530 D HA -0.042 4.654 4.640 0.092 0.000 0.226 530 D C 1.553 177.857 176.300 0.007 0.000 1.020 530 D CA 0.303 54.293 54.000 -0.017 0.000 0.892 530 D CB -0.062 40.717 40.800 -0.035 0.000 0.900 530 D HN 0.161 nan 8.370 nan 0.000 0.531 531 R N -0.339 120.185 120.500 0.039 0.000 2.565 531 R HA 0.295 4.691 4.340 0.092 0.000 0.347 531 R C -0.495 175.885 176.300 0.135 0.000 1.010 531 R CA -0.502 55.658 56.100 0.100 0.000 1.126 531 R CB 0.446 30.802 30.300 0.092 0.000 1.331 531 R HN 0.218 nan 8.270 nan 0.000 0.552 532 L N 0.646 121.923 121.223 0.091 0.000 2.322 532 L HA 0.715 5.111 4.340 0.092 0.000 0.281 532 L C -1.005 175.916 176.870 0.085 0.000 1.014 532 L CA -0.730 54.163 54.840 0.088 0.000 0.815 532 L CB 1.746 43.824 42.059 0.031 0.000 1.247 532 L HN 0.062 nan 8.230 nan 0.000 0.421 533 A N 6.036 128.921 122.820 0.109 0.000 2.386 533 A HA 0.818 5.194 4.320 0.092 0.000 0.311 533 A C -0.851 176.785 177.584 0.087 0.000 1.068 533 A CA -0.622 51.476 52.037 0.103 0.000 0.743 533 A CB 1.091 20.166 19.000 0.124 0.000 1.258 533 A HN 0.856 nan 8.150 nan 0.000 0.429 534 I N -0.789 119.844 120.570 0.105 0.000 2.530 534 I HA 0.910 5.135 4.170 0.092 0.000 0.297 534 I C -0.403 175.848 176.117 0.223 0.000 1.011 534 I CA -0.870 60.521 61.300 0.153 0.000 1.107 534 I CB 1.913 39.998 38.000 0.141 0.000 1.285 534 I HN 0.751 nan 8.210 nan 0.000 0.436 535 R N 3.257 123.939 120.500 0.303 0.000 2.740 535 R HA 0.868 5.263 4.340 0.092 0.000 0.273 535 R C -1.112 175.309 176.300 0.201 0.000 0.998 535 R CA -0.580 55.686 56.100 0.277 0.000 0.900 535 R CB 2.494 32.989 30.300 0.325 0.000 1.223 535 R HN 1.121 nan 8.270 nan 0.000 0.466 536 G N 0.136 109.006 108.800 0.117 0.000 2.579 536 G HA2 0.495 4.510 3.960 0.092 0.000 0.292 536 G HA3 0.495 4.510 3.960 0.092 0.000 0.292 536 G C -1.631 173.313 174.900 0.074 0.000 1.484 536 G CA -0.418 44.635 45.100 -0.079 0.000 0.813 536 G HN 0.722 nan 8.290 nan 0.000 0.515 537 G N -0.649 108.232 108.800 0.135 0.000 2.566 537 G HA2 0.696 4.711 3.960 0.092 0.000 0.311 537 G HA3 0.696 4.711 3.960 0.092 0.000 0.311 537 G C 0.368 175.379 174.900 0.186 0.000 1.322 537 G CA 0.940 46.137 45.100 0.162 0.000 0.969 537 G HN 1.739 nan 8.290 nan 0.000 0.490 538 S N 0.963 116.719 115.700 0.093 0.000 4.157 538 S HA -0.357 4.169 4.470 0.092 0.000 0.578 538 S C 1.947 176.531 174.600 -0.027 0.000 1.867 538 S CA 1.140 59.387 58.200 0.078 0.000 4.249 538 S CB -1.348 62.073 63.200 0.369 0.000 0.208 538 S HN 0.908 nan 8.310 nan 0.000 0.457 539 N N 2.490 121.243 118.700 0.089 0.000 2.396 539 N HA -0.054 4.741 4.740 0.092 0.000 0.180 539 N C 1.640 176.997 175.510 -0.256 0.000 1.028 539 N CA 1.390 54.423 53.050 -0.030 0.000 0.893 539 N CB -0.536 37.855 38.487 -0.159 0.000 0.967 539 N HN 0.620 nan 8.380 nan 0.000 0.440 540 G N -0.128 108.542 108.800 -0.218 0.000 2.464 540 G HA2 -0.046 3.969 3.960 0.092 0.000 0.217 540 G HA3 -0.046 3.969 3.960 0.092 0.000 0.217 540 G C 1.429 176.239 174.900 -0.149 0.000 1.138 540 G CA 0.657 45.647 45.100 -0.184 0.000 0.793 540 G HN 0.395 nan 8.290 nan 0.000 0.539 541 G N 0.973 109.707 108.800 -0.110 0.000 2.403 541 G HA2 -0.070 3.946 3.960 0.092 0.000 0.216 541 G HA3 -0.070 3.946 3.960 0.092 0.000 0.216 541 G C 1.703 176.468 174.900 -0.226 0.000 1.154 541 G CA 0.956 45.971 45.100 -0.141 0.000 0.784 541 G HN 0.400 nan 8.290 nan 0.000 0.538 542 L N 0.475 121.557 121.223 -0.235 0.000 2.017 542 L HA 0.031 4.427 4.340 0.092 0.000 0.208 542 L C 2.502 179.244 176.870 -0.213 0.000 1.073 542 L CA 1.771 56.461 54.840 -0.250 0.000 0.745 542 L CB -0.719 41.224 42.059 -0.193 0.000 0.894 542 L HN 0.179 nan 8.230 nan 0.000 0.432 543 L N -0.819 120.321 121.223 -0.138 0.000 1.990 543 L HA -0.201 4.195 4.340 0.092 0.000 0.213 543 L C 2.392 179.161 176.870 -0.168 0.000 1.072 543 L CA 2.271 57.039 54.840 -0.120 0.000 0.755 543 L CB -0.941 40.948 42.059 -0.283 0.000 0.889 543 L HN 0.148 nan 8.230 nan 0.000 0.432 544 V N 0.236 120.079 119.914 -0.119 0.000 2.295 544 V HA -0.223 3.953 4.120 0.092 0.000 0.246 544 V C 2.632 178.687 176.094 -0.064 0.000 1.049 544 V CA 1.857 64.156 62.300 -0.003 0.000 1.024 544 V CB -1.648 30.194 31.823 0.031 0.000 0.648 544 V HN 0.671 nan 8.190 nan 0.000 0.447 545 G N -0.620 108.056 108.800 -0.207 0.000 2.422 545 G HA2 -0.187 3.828 3.960 0.092 0.000 0.218 545 G HA3 -0.187 3.828 3.960 0.092 0.000 0.218 545 G C 1.743 176.512 174.900 -0.217 0.000 1.146 545 G CA 1.071 45.994 45.100 -0.295 0.000 0.769 545 G HN 0.611 nan 8.290 nan 0.000 0.547 546 A N 0.010 122.598 122.820 -0.386 0.000 1.872 546 A HA 0.325 4.700 4.320 0.092 0.000 0.214 546 A C 1.636 178.986 177.584 -0.389 0.000 1.187 546 A CA 0.838 52.538 52.037 -0.563 0.000 0.614 546 A CB -0.545 17.542 19.000 -1.522 0.000 0.826 546 A HN 0.218 nan 8.150 nan 0.000 0.442 550 Q N 0.568 120.405 119.800 0.060 0.000 2.204 550 Q HA 0.270 4.666 4.340 0.092 0.000 0.198 550 Q C 0.553 176.577 176.000 0.041 0.000 0.946 550 Q CA 0.515 56.340 55.803 0.036 0.000 0.859 550 Q CB 0.389 29.127 28.738 0.000 0.000 0.946 550 Q HN 0.149 nan 8.270 nan 0.000 0.474 551 R N 0.640 121.168 120.500 0.048 0.000 2.653 551 R HA 0.185 4.581 4.340 0.092 0.000 0.269 551 R C -2.241 174.086 176.300 0.045 0.000 1.603 551 R CA -1.327 54.794 56.100 0.035 0.000 1.671 551 R CB 0.787 31.104 30.300 0.028 0.000 1.300 551 R HN 0.139 nan 8.270 nan 0.000 0.668 552 P HA -0.151 nan 4.420 nan 0.000 0.228 552 P C 0.516 177.828 177.300 0.021 0.000 1.151 552 P CA 1.111 64.243 63.100 0.053 0.000 0.770 552 P CB 0.316 31.968 31.700 -0.080 0.000 0.786 553 D N -1.044 119.357 120.400 0.002 0.000 2.347 553 D HA -0.032 4.664 4.640 0.092 0.000 0.213 553 D C 1.112 177.415 176.300 0.005 0.000 0.985 553 D CA -0.126 53.874 54.000 0.001 0.000 0.879 553 D CB -0.425 40.371 40.800 -0.007 0.000 0.919 553 D HN 0.143 nan 8.370 nan 0.000 0.526 557 V N 1.168 121.090 119.914 0.013 0.000 2.760 557 V HA 0.904 5.080 4.120 0.092 0.000 0.309 557 V C -0.990 175.179 176.094 0.125 0.000 1.077 557 V CA -0.547 61.796 62.300 0.071 0.000 0.910 557 V CB 1.740 33.619 31.823 0.093 0.000 1.008 557 V HN 0.252 nan 8.190 nan 0.000 0.424 558 A N 4.960 127.882 122.820 0.171 0.000 2.343 558 A HA 0.927 5.302 4.320 0.092 0.000 0.316 558 A C -0.973 176.720 177.584 0.181 0.000 1.104 558 A CA -0.449 51.689 52.037 0.169 0.000 0.768 558 A CB 1.049 20.150 19.000 0.168 0.000 1.213 558 A HN 0.834 nan 8.150 nan 0.000 0.456 559 L N 4.429 125.745 121.223 0.156 0.000 2.495 559 L HA 0.345 4.740 4.340 0.092 0.000 0.248 559 L C -2.468 174.460 176.870 0.097 0.000 1.229 559 L CA -1.454 53.462 54.840 0.126 0.000 0.942 559 L CB 1.712 43.845 42.059 0.124 0.000 1.242 559 L HN 0.464 nan 8.230 nan 0.000 0.484 560 P HA 0.304 nan 4.420 nan 0.000 0.292 560 P C -0.694 176.615 177.300 0.016 0.000 1.326 560 P CA -0.090 63.024 63.100 0.024 0.000 0.787 560 P CB 1.883 33.571 31.700 -0.020 0.000 0.903 561 A N 3.767 126.601 122.820 0.023 0.000 2.304 561 A HA 0.454 4.830 4.320 0.092 0.000 0.323 561 A C 0.600 178.189 177.584 0.008 0.000 1.195 561 A CA -0.765 51.289 52.037 0.028 0.000 0.826 561 A CB 0.560 19.598 19.000 0.063 0.000 1.184 561 A HN 0.334 nan 8.150 nan 0.000 0.496 562 V N 1.813 121.724 119.914 -0.005 0.000 5.257 562 V HA -0.249 3.926 4.120 0.092 0.000 0.265 562 V C 1.201 177.241 176.094 -0.089 0.000 0.646 562 V CA 1.071 63.356 62.300 -0.026 0.000 0.650 562 V CB -2.135 29.700 31.823 0.020 0.000 0.424 562 V HN 1.388 nan 8.190 nan 0.000 0.862 563 G N -0.220 108.496 108.800 -0.141 0.000 2.507 563 G HA2 0.498 4.513 3.960 0.092 0.000 0.271 563 G HA3 0.498 4.513 3.960 0.092 0.000 0.271 563 G C -0.354 174.284 174.900 -0.438 0.000 1.189 563 G CA -0.410 44.535 45.100 -0.257 0.000 0.859 563 G HN 0.542 nan 8.290 nan 0.000 0.542 564 V N 2.265 121.818 119.914 -0.602 0.000 2.348 564 V HA 0.237 4.412 4.120 0.092 0.000 0.270 564 V C 0.695 176.390 176.094 -0.665 0.000 1.037 564 V CA -0.113 61.587 62.300 -1.001 0.000 0.872 564 V CB 0.840 32.112 31.823 -0.919 0.000 1.002 564 V HN 0.685 nan 8.190 nan 0.000 0.464 565 L N 1.879 122.806 121.223 -0.494 0.000 2.685 565 L HA 0.369 4.764 4.340 0.092 0.000 0.235 565 L C 0.902 177.755 176.870 -0.027 0.000 1.070 565 L CA 0.222 54.892 54.840 -0.283 0.000 0.888 565 L CB 0.400 42.209 42.059 -0.418 0.000 1.203 565 L HN 0.582 nan 8.230 nan 0.000 0.499 569 R N -0.434 120.074 120.500 0.013 0.000 2.509 569 R HA 0.129 4.524 4.340 0.092 0.000 0.297 569 R C 1.748 177.533 176.300 -0.858 0.000 0.951 569 R CA 0.131 55.986 56.100 -0.408 0.000 1.103 569 R CB 0.425 30.492 30.300 -0.389 0.000 1.283 569 R HN 0.367 nan 8.270 nan 0.000 0.534 570 Y N 1.113 121.283 120.300 -0.218 0.000 2.193 570 Y HA -0.269 4.336 4.550 0.093 0.000 0.285 570 Y C 2.201 178.051 175.900 -0.084 0.000 1.166 570 Y CA 1.694 59.775 58.100 -0.032 0.000 1.181 570 Y CB -0.770 37.811 38.460 0.203 0.000 0.976 570 Y HN 0.156 nan 8.280 nan 0.000 0.520 571 H N -0.037 118.361 119.070 -1.120 0.000 2.546 571 H HA 0.005 4.617 4.556 0.092 0.000 0.277 571 H C 1.525 176.685 175.328 -0.281 0.000 1.004 571 H CA 1.446 57.117 56.048 -0.628 0.000 1.231 571 H CB -1.065 28.300 29.762 -0.661 0.000 1.382 571 H HN 0.565 nan 8.280 nan 0.000 0.580 572 T N -2.416 111.596 114.554 -0.904 0.000 3.065 572 T HA 0.113 4.518 4.350 0.092 0.000 0.252 572 T C 0.401 174.975 174.700 -0.209 0.000 1.099 572 T CA -0.496 61.272 62.100 -0.554 0.000 1.063 572 T CB -0.352 68.144 68.868 -0.620 0.000 0.948 572 T HN -0.020 nan 8.240 nan 0.000 0.506 573 F N 2.642 122.540 119.950 -0.086 0.000 2.368 573 F HA 0.477 5.060 4.527 0.092 0.000 0.315 573 F C 1.171 177.001 175.800 0.051 0.000 1.145 573 F CA -1.804 56.183 58.000 -0.022 0.000 1.095 573 F CB -0.333 38.650 39.000 -0.029 0.000 1.286 573 F HN -0.168 nan 8.300 nan 0.000 0.530 574 T N 1.603 116.322 114.554 0.275 0.000 2.866 574 T HA 0.307 4.712 4.350 0.092 0.000 0.293 574 T C 0.786 175.635 174.700 0.249 0.000 1.005 574 T CA 0.946 63.163 62.100 0.194 0.000 1.162 574 T CB -0.154 68.790 68.868 0.127 0.000 0.968 574 T HN 0.975 nan 8.240 nan 0.000 0.530 575 A N 2.583 125.545 122.820 0.235 0.000 2.945 575 A HA -0.194 4.181 4.320 0.092 0.000 0.263 575 A C 1.937 179.796 177.584 0.459 0.000 1.293 575 A CA 1.471 53.683 52.037 0.293 0.000 0.944 575 A CB -2.157 17.016 19.000 0.288 0.000 1.093 575 A HN 1.179 nan 8.150 nan 0.000 0.786 576 G N -0.615 108.448 108.800 0.439 0.000 2.448 576 G HA2 0.008 4.024 3.960 0.092 0.000 0.218 576 G HA3 0.008 4.024 3.960 0.092 0.000 0.218 576 G C 1.535 176.811 174.900 0.627 0.000 1.135 576 G CA 1.912 47.367 45.100 0.590 0.000 0.784 576 G HN 1.418 nan 8.290 nan 0.000 0.543 577 T N -0.673 114.116 114.554 0.393 0.000 2.803 577 T HA -0.030 4.375 4.350 0.092 0.000 0.269 577 T C 2.425 177.334 174.700 0.348 0.000 1.052 577 T CA 1.408 63.706 62.100 0.330 0.000 1.136 577 T CB -0.568 68.425 68.868 0.209 0.000 0.864 577 T HN 0.212 nan 8.240 nan 0.000 0.467 578 G N 0.033 109.012 108.800 0.298 0.000 2.470 578 G HA2 -0.085 3.931 3.960 0.092 0.000 0.220 578 G HA3 -0.085 3.931 3.960 0.092 0.000 0.220 578 G C 0.945 175.901 174.900 0.092 0.000 1.121 578 G CA 0.234 45.398 45.100 0.107 0.000 0.766 578 G HN 0.677 nan 8.290 nan 0.000 0.553 579 W N 0.411 121.888 121.300 0.295 0.000 3.003 579 W HA 0.489 5.206 4.660 0.094 0.000 0.257 579 W C 2.516 179.212 176.519 0.295 0.000 1.308 579 W CA -0.075 57.443 57.345 0.288 0.000 1.529 579 W CB -0.031 29.567 29.460 0.230 0.000 1.115 579 W HN 0.195 nan 8.180 nan 0.000 0.659 580 A N -0.057 123.131 122.820 0.614 0.000 1.978 580 A HA -0.280 4.096 4.320 0.092 0.000 0.220 580 A C 1.737 179.486 177.584 0.277 0.000 1.170 580 A CA 1.597 53.930 52.037 0.493 0.000 0.636 580 A CB -1.182 18.048 19.000 0.384 0.000 0.810 580 A HN 0.435 nan 8.150 nan 0.000 0.448 581 Y N 0.746 121.131 120.300 0.142 0.000 2.181 581 Y HA -0.207 4.399 4.550 0.093 0.000 0.288 581 Y C 1.815 177.677 175.900 -0.064 0.000 1.146 581 Y CA 2.141 60.268 58.100 0.045 0.000 1.164 581 Y CB -0.278 38.212 38.460 0.049 0.000 0.982 581 Y HN 0.387 nan 8.280 nan 0.000 0.515 582 D N -1.642 118.621 120.400 -0.229 0.000 2.137 582 D HA -0.123 4.572 4.640 0.092 0.000 0.202 582 D C 1.609 177.729 176.300 -0.301 0.000 0.970 582 D CA 1.535 55.208 54.000 -0.544 0.000 0.837 582 D CB -0.185 39.866 40.800 -1.247 0.000 0.981 582 D HN 0.360 nan 8.370 nan 0.000 0.475 583 Y N -0.052 120.221 120.300 -0.045 0.000 2.301 583 Y HA 0.350 4.955 4.550 0.093 0.000 0.295 583 Y C 1.618 177.568 175.900 0.083 0.000 1.119 583 Y CA 0.525 58.647 58.100 0.038 0.000 1.162 583 Y CB -0.434 38.057 38.460 0.052 0.000 1.046 583 Y HN -0.040 nan 8.280 nan 0.000 0.538 584 G N 0.032 108.997 108.800 0.275 0.000 2.746 584 G HA2 0.058 4.074 3.960 0.092 0.000 0.685 584 G HA3 0.058 4.074 3.960 0.092 0.000 0.685 584 G C -0.287 174.765 174.900 0.253 0.000 1.350 584 G CA -0.452 44.749 45.100 0.168 0.000 0.837 584 G HN 0.550 nan 8.290 nan 0.000 0.564 585 T N -3.024 111.571 114.554 0.068 0.000 2.916 585 T HA 0.755 5.160 4.350 0.092 0.000 0.292 585 T C 1.610 176.262 174.700 -0.080 0.000 1.064 585 T CA 0.762 62.772 62.100 -0.149 0.000 1.011 585 T CB 1.540 70.031 68.868 -0.629 0.000 1.152 585 T HN 2.163 nan 8.240 nan 0.000 0.510 586 S N 0.103 115.741 115.700 -0.103 0.000 2.595 586 S HA 0.134 4.660 4.470 0.092 0.000 0.235 586 S C 1.710 176.479 174.600 0.282 0.000 0.974 586 S CA 0.264 58.560 58.200 0.159 0.000 0.942 586 S CB -0.626 62.633 63.200 0.099 0.000 0.766 586 S HN 1.066 nan 8.310 nan 0.000 0.536 587 A N 0.900 123.775 122.820 0.092 0.000 2.303 587 A HA 0.257 4.633 4.320 0.092 0.000 0.217 587 A C 1.445 179.161 177.584 0.220 0.000 1.205 587 A CA 0.181 52.304 52.037 0.143 0.000 0.875 587 A CB 0.014 19.035 19.000 0.034 0.000 0.910 587 A HN 0.367 nan 8.150 nan 0.000 0.501 588 D N 0.921 121.419 120.400 0.164 0.000 2.097 588 D HA -0.014 4.681 4.640 0.092 0.000 0.195 588 D C 1.106 177.506 176.300 0.167 0.000 0.989 588 D CA 1.873 55.949 54.000 0.125 0.000 0.827 588 D CB 0.019 40.853 40.800 0.056 0.000 0.966 588 D HN 0.557 nan 8.370 nan 0.000 0.456 589 S N -2.138 113.651 115.700 0.148 0.000 2.643 589 S HA 0.159 4.685 4.470 0.092 0.000 0.266 589 S C 0.369 174.505 174.600 -0.774 0.000 1.130 589 S CA -0.780 57.307 58.200 -0.187 0.000 0.817 589 S CB 1.551 64.668 63.200 -0.139 0.000 1.107 589 S HN -0.039 nan 8.310 nan 0.000 0.471 590 E N 0.389 119.805 120.200 -1.307 0.000 2.152 590 E HA 0.138 4.543 4.350 0.092 0.000 0.192 590 E C 1.093 177.536 176.600 -0.262 0.000 0.983 590 E CA 0.907 56.689 56.400 -1.030 0.000 0.818 590 E CB -0.267 29.005 29.700 -0.714 0.000 0.758 590 E HN 0.797 nan 8.360 nan 0.000 0.467 594 D N 0.623 120.783 120.400 -0.400 0.000 2.144 594 D HA -0.162 4.534 4.640 0.092 0.000 0.199 594 D C 1.765 177.884 176.300 -0.301 0.000 0.984 594 D CA 1.960 55.684 54.000 -0.459 0.000 0.834 594 D CB -0.428 40.282 40.800 -0.150 0.000 0.955 594 D HN 0.461 nan 8.370 nan 0.000 0.465 595 Y N 1.386 121.549 120.300 -0.228 0.000 2.163 595 Y HA -0.118 4.488 4.550 0.092 0.000 0.288 595 Y C 2.351 178.148 175.900 -0.172 0.000 1.136 595 Y CA 1.142 59.175 58.100 -0.112 0.000 1.147 595 Y CB -0.311 38.132 38.460 -0.028 0.000 0.987 595 Y HN -0.129 nan 8.280 nan 0.000 0.509 596 L N 0.286 121.420 121.223 -0.148 0.000 2.012 596 L HA -0.274 4.122 4.340 0.092 0.000 0.210 596 L C 2.532 179.015 176.870 -0.645 0.000 1.073 596 L CA 2.045 56.597 54.840 -0.480 0.000 0.748 596 L CB -0.599 41.299 42.059 -0.268 0.000 0.891 596 L HN 0.133 nan 8.230 nan 0.000 0.431 597 K N 0.227 120.261 120.400 -0.610 0.000 2.209 597 K HA -0.134 4.241 4.320 0.092 0.000 0.204 597 K C 1.988 178.362 176.600 -0.377 0.000 1.048 597 K CA 1.158 57.107 56.287 -0.564 0.000 0.940 597 K CB -0.220 31.808 32.500 -0.787 0.000 0.729 597 K HN 0.346 nan 8.250 nan 0.000 0.451 598 G N 0.261 108.837 108.800 -0.373 0.000 2.448 598 G HA2 -0.248 3.767 3.960 0.092 0.000 0.219 598 G HA3 -0.248 3.767 3.960 0.092 0.000 0.219 598 G C 1.160 175.986 174.900 -0.124 0.000 1.127 598 G CA 1.176 46.129 45.100 -0.244 0.000 0.766 598 G HN 0.611 nan 8.290 nan 0.000 0.552 599 Y N -1.154 119.026 120.300 -0.200 0.000 2.432 599 Y HA 0.513 5.119 4.550 0.093 0.000 0.252 599 Y C 1.081 176.912 175.900 -0.114 0.000 1.097 599 Y CA -0.643 57.377 58.100 -0.134 0.000 1.250 599 Y CB -0.334 38.104 38.460 -0.036 0.000 1.245 599 Y HN -0.001 nan 8.280 nan 0.000 0.522 600 S N 3.982 119.474 115.700 -0.347 0.000 2.737 600 S HA 0.022 4.547 4.470 0.092 0.000 0.315 600 S C -1.417 173.170 174.600 -0.022 0.000 1.236 600 S CA -0.657 57.432 58.200 -0.186 0.000 1.093 600 S CB 0.479 63.665 63.200 -0.023 0.000 0.832 600 S HN 0.255 nan 8.310 nan 0.000 0.507 601 P HA -0.153 nan 4.420 nan 0.000 0.215 601 P C 1.622 179.005 177.300 0.139 0.000 1.157 601 P CA 0.619 63.700 63.100 -0.031 0.000 0.874 601 P CB 0.035 31.523 31.700 -0.353 0.000 0.790 602 L N -0.784 120.463 121.223 0.041 0.000 2.042 602 L HA -0.189 4.206 4.340 0.092 0.000 0.210 602 L C 1.995 178.748 176.870 -0.196 0.000 1.076 602 L CA 2.062 56.894 54.840 -0.013 0.000 0.749 602 L CB -1.466 40.445 42.059 -0.246 0.000 0.893 602 L HN 0.158 nan 8.230 nan 0.000 0.432 603 H N -1.090 118.013 119.070 0.055 0.000 2.539 603 H HA 0.177 4.788 4.556 0.092 0.000 0.267 603 H C 0.879 176.218 175.328 0.019 0.000 0.982 603 H CA 0.546 56.607 56.048 0.023 0.000 1.146 603 H CB 0.022 29.769 29.762 -0.026 0.000 1.382 603 H HN 0.514 nan 8.280 nan 0.000 0.577 604 N N 0.754 119.515 118.700 0.102 0.000 2.205 604 N HA 0.044 4.839 4.740 0.092 0.000 0.201 604 N C 0.016 175.591 175.510 0.108 0.000 1.128 604 N CA 0.057 53.162 53.050 0.091 0.000 0.867 604 N CB 1.653 40.182 38.487 0.070 0.000 0.996 604 N HN -0.040 nan 8.380 nan 0.000 0.503 605 V N 2.155 122.109 119.914 0.066 0.000 2.637 605 V HA 0.160 4.336 4.120 0.092 0.000 0.296 605 V C 0.453 176.612 176.094 0.108 0.000 1.046 605 V CA 0.126 62.432 62.300 0.010 0.000 1.066 605 V CB 0.731 32.432 31.823 -0.204 0.000 0.968 605 V HN 0.079 nan 8.190 nan 0.000 0.483 606 R N 4.643 125.286 120.500 0.238 0.000 2.621 606 R HA 0.443 4.838 4.340 0.092 0.000 0.292 606 R C -2.871 173.529 176.300 0.166 0.000 0.969 606 R CA -2.003 54.195 56.100 0.164 0.000 0.887 606 R CB 1.923 32.300 30.300 0.127 0.000 1.180 606 R HN 0.405 nan 8.270 nan 0.000 0.450 607 P HA -0.000 nan 4.420 nan 0.000 0.265 607 P C 0.640 177.981 177.300 0.069 0.000 1.193 607 P CA 0.885 64.040 63.100 0.091 0.000 0.765 607 P CB 0.689 32.430 31.700 0.067 0.000 0.823 608 G N 0.849 109.684 108.800 0.060 0.000 2.199 608 G HA2 -0.211 3.805 3.960 0.092 0.000 0.254 608 G HA3 -0.211 3.805 3.960 0.092 0.000 0.254 608 G C 0.132 175.018 174.900 -0.024 0.000 0.982 608 G CA -0.138 44.974 45.100 0.021 0.000 0.632 608 G HN 0.539 nan 8.290 nan 0.000 0.529 609 V N 0.929 120.814 119.914 -0.048 0.000 2.686 609 V HA 0.658 4.833 4.120 0.092 0.000 0.295 609 V C 0.860 176.756 176.094 -0.331 0.000 1.057 609 V CA 0.401 62.554 62.300 -0.245 0.000 1.012 609 V CB 1.785 33.349 31.823 -0.431 0.000 1.006 609 V HN 0.456 nan 8.190 nan 0.000 0.477 610 S N 4.031 119.530 115.700 -0.335 0.000 2.404 610 S HA 0.519 5.044 4.470 0.092 0.000 0.309 610 S C -0.847 173.581 174.600 -0.285 0.000 1.076 610 S CA -0.452 57.624 58.200 -0.206 0.000 1.095 610 S CB -0.238 62.896 63.200 -0.111 0.000 0.972 610 S HN 0.441 nan 8.310 nan 0.000 0.484 611 Y N 5.187 125.538 120.300 0.086 0.000 2.354 611 Y HA 0.441 5.046 4.550 0.092 0.000 0.322 611 Y C -1.514 174.500 175.900 0.190 0.000 1.253 611 Y CA -2.043 56.117 58.100 0.101 0.000 1.272 611 Y CB 0.493 38.979 38.460 0.044 0.000 1.255 611 Y HN 0.504 nan 8.280 nan 0.000 0.500 612 P HA 0.031 nan 4.420 nan 0.000 0.273 612 P C -0.716 176.671 177.300 0.145 0.000 1.250 612 P CA -0.307 62.866 63.100 0.121 0.000 0.793 612 P CB 0.645 32.396 31.700 0.085 0.000 1.011 613 S N -0.039 115.654 115.700 -0.010 0.000 2.537 613 S HA 0.258 4.784 4.470 0.092 0.000 0.286 613 S C 0.436 175.192 174.600 0.261 0.000 1.299 613 S CA 0.247 58.526 58.200 0.131 0.000 1.067 613 S CB -0.389 62.774 63.200 -0.062 0.000 0.864 613 S HN 0.475 nan 8.310 nan 0.000 0.494 617 T N -0.420 114.137 114.554 0.006 0.000 2.876 617 T HA 0.926 5.331 4.350 0.092 0.000 0.289 617 T C -0.578 174.136 174.700 0.023 0.000 1.014 617 T CA -0.548 61.552 62.100 0.000 0.000 0.986 617 T CB 2.228 71.085 68.868 -0.018 0.000 1.021 617 T HN 1.223 nan 8.240 nan 0.000 0.458 618 T N 0.051 114.626 114.554 0.035 0.000 2.775 618 T HA 0.636 5.042 4.350 0.092 0.000 0.320 618 T C -1.109 173.614 174.700 0.038 0.000 1.597 618 T CA -0.132 61.985 62.100 0.029 0.000 1.022 618 T CB 1.049 69.928 68.868 0.019 0.000 1.485 618 T HN 1.265 nan 8.240 nan 0.000 0.494 619 A N 1.401 124.230 122.820 0.015 0.000 2.271 619 A HA 0.569 4.945 4.320 0.092 0.000 0.288 619 A C 1.148 178.736 177.584 0.006 0.000 1.094 619 A CA 0.286 52.333 52.037 0.017 0.000 0.828 619 A CB 0.208 19.222 19.000 0.022 0.000 1.091 619 A HN 0.954 nan 8.150 nan 0.000 0.493 620 D N -0.557 119.824 120.400 -0.032 0.000 2.269 620 D HA -0.040 4.655 4.640 0.092 0.000 0.208 620 D C 0.079 176.114 176.300 -0.442 0.000 0.963 620 D CA 1.336 55.249 54.000 -0.144 0.000 0.864 620 D CB -0.160 40.475 40.800 -0.274 0.000 0.936 620 D HN 0.485 nan 8.370 nan 0.000 0.505 621 H N -0.650 118.452 119.070 0.053 0.000 2.856 621 H HA 0.516 5.127 4.556 0.092 0.000 0.355 621 H C -1.337 173.989 175.328 -0.004 0.000 1.079 621 H CA -0.662 55.393 56.048 0.012 0.000 1.240 621 H CB 1.924 31.706 29.762 0.033 0.000 1.701 621 H HN -0.001 nan 8.280 nan 0.000 0.527 622 D N 1.707 122.154 120.400 0.078 0.000 2.931 622 D HA 0.090 4.786 4.640 0.092 0.000 0.215 622 D C -0.352 175.979 176.300 0.052 0.000 1.297 622 D CA -0.325 53.708 54.000 0.054 0.000 0.892 622 D CB 1.704 42.514 40.800 0.018 0.000 1.642 622 D HN 0.409 nan 8.370 nan 0.000 0.560 623 D N 2.252 122.696 120.400 0.074 0.000 2.350 623 D HA 0.076 4.772 4.640 0.092 0.000 0.213 623 D C 1.564 177.942 176.300 0.130 0.000 1.031 623 D CA 0.250 54.302 54.000 0.087 0.000 0.861 623 D CB 0.815 41.662 40.800 0.079 0.000 0.926 623 D HN 0.367 nan 8.370 nan 0.000 0.520 624 R N 0.039 120.622 120.500 0.139 0.000 2.052 624 R HA 0.119 4.514 4.340 0.092 0.000 0.224 624 R C 0.512 176.974 176.300 0.271 0.000 1.149 624 R CA 0.663 56.890 56.100 0.212 0.000 0.962 624 R CB 0.353 30.763 30.300 0.184 0.000 0.856 624 R HN -0.111 nan 8.270 nan 0.000 0.433 625 V N 3.035 123.042 119.914 0.154 0.000 2.380 625 V HA 0.170 4.346 4.120 0.092 0.000 0.286 625 V C -0.148 175.968 176.094 0.038 0.000 1.015 625 V CA -0.983 61.361 62.300 0.073 0.000 0.834 625 V CB 1.553 33.353 31.823 -0.038 0.000 1.009 625 V HN 0.120 nan 8.190 nan 0.000 0.428 626 V N 3.872 123.809 119.914 0.038 0.000 2.788 626 V HA 0.187 4.363 4.120 0.092 0.000 0.307 626 V C -1.376 174.541 176.094 -0.294 0.000 1.069 626 V CA -0.596 61.608 62.300 -0.159 0.000 1.173 626 V CB 0.407 32.034 31.823 -0.327 0.000 0.925 626 V HN 0.631 nan 8.190 nan 0.000 0.492 627 P HA -0.085 nan 4.420 nan 0.000 0.221 627 P C 1.700 178.353 177.300 -1.079 0.000 1.145 627 P CA 1.905 64.480 63.100 -0.875 0.000 0.795 627 P CB 0.015 30.969 31.700 -1.243 0.000 0.775 628 A N -0.173 122.128 122.820 -0.865 0.000 1.940 628 A HA -0.317 4.059 4.320 0.092 0.000 0.221 628 A C 2.126 179.416 177.584 -0.490 0.000 1.190 628 A CA 1.909 53.511 52.037 -0.726 0.000 0.647 628 A CB -1.762 16.630 19.000 -1.014 0.000 0.821 628 A HN 0.253 nan 8.150 nan 0.000 0.457 629 H N -0.478 118.396 119.070 -0.326 0.000 2.267 629 H HA -0.091 4.521 4.556 0.093 0.000 0.297 629 H C 2.654 177.923 175.328 -0.098 0.000 1.080 629 H CA 1.877 57.831 56.048 -0.156 0.000 1.278 629 H CB -0.583 29.082 29.762 -0.161 0.000 1.365 629 H HN 0.511 nan 8.280 nan 0.000 0.489 630 S N 0.583 116.292 115.700 0.015 0.000 2.368 630 S HA -0.093 4.433 4.470 0.092 0.000 0.224 630 S C 2.039 176.805 174.600 0.276 0.000 1.029 630 S CA 0.669 58.943 58.200 0.122 0.000 0.988 630 S CB -0.214 63.039 63.200 0.089 0.000 0.838 630 S HN 0.174 nan 8.310 nan 0.000 0.462 631 F N 1.966 121.899 119.950 -0.028 0.000 2.069 631 F HA -0.041 4.542 4.527 0.093 0.000 0.298 631 F C 2.180 177.808 175.800 -0.288 0.000 1.113 631 F CA 0.862 58.786 58.000 -0.127 0.000 1.214 631 F CB -1.090 37.673 39.000 -0.394 0.000 0.978 631 F HN 0.187 nan 8.300 nan 0.000 0.474 632 K N -0.956 119.406 120.400 -0.063 0.000 2.097 632 K HA -0.175 4.201 4.320 0.092 0.000 0.205 632 K C 2.049 178.635 176.600 -0.024 0.000 1.050 632 K CA 1.236 57.450 56.287 -0.122 0.000 0.938 632 K CB -0.543 31.932 32.500 -0.042 0.000 0.718 632 K HN 0.092 nan 8.250 nan 0.000 0.442 633 F N 1.768 121.661 119.950 -0.096 0.000 2.102 633 F HA -0.165 4.417 4.527 0.093 0.000 0.298 633 F C 2.206 177.928 175.800 -0.130 0.000 1.105 633 F CA 1.327 59.264 58.000 -0.106 0.000 1.239 633 F CB -0.492 38.459 39.000 -0.082 0.000 0.991 633 F HN -0.024 nan 8.300 nan 0.000 0.474 634 A N 0.314 123.114 122.820 -0.034 0.000 1.877 634 A HA -0.067 4.308 4.320 0.092 0.000 0.216 634 A C 2.431 179.865 177.584 -0.250 0.000 1.186 634 A CA 1.906 53.852 52.037 -0.151 0.000 0.620 634 A CB -1.599 17.426 19.000 0.041 0.000 0.822 634 A HN 0.486 nan 8.150 nan 0.000 0.443 635 A N -0.914 121.766 122.820 -0.233 0.000 1.908 635 A HA -0.117 4.258 4.320 0.092 0.000 0.218 635 A C 2.309 179.587 177.584 -0.510 0.000 1.181 635 A CA 2.410 54.160 52.037 -0.479 0.000 0.627 635 A CB -1.301 17.044 19.000 -1.092 0.000 0.818 635 A HN 0.452 nan 8.150 nan 0.000 0.445 636 T N 0.368 114.695 114.554 -0.378 0.000 2.777 636 T HA -0.045 4.360 4.350 0.092 0.000 0.266 636 T C 1.814 176.353 174.700 -0.269 0.000 1.040 636 T CA 1.351 63.364 62.100 -0.145 0.000 1.141 636 T CB -0.351 68.476 68.868 -0.069 0.000 0.868 636 T HN 0.357 nan 8.240 nan 0.000 0.444 637 L N 0.720 121.656 121.223 -0.478 0.000 2.046 637 L HA -0.145 4.251 4.340 0.092 0.000 0.208 637 L C 2.913 179.587 176.870 -0.327 0.000 1.077 637 L CA 1.396 55.929 54.840 -0.511 0.000 0.747 637 L CB -0.554 41.105 42.059 -0.668 0.000 0.896 637 L HN 0.324 nan 8.230 nan 0.000 0.432 638 Q N -0.511 119.048 119.800 -0.401 0.000 2.119 638 Q HA -0.163 4.233 4.340 0.092 0.000 0.201 638 Q C 2.395 178.301 176.000 -0.157 0.000 0.972 638 Q CA 1.492 57.004 55.803 -0.486 0.000 0.847 638 Q CB -0.192 28.073 28.738 -0.790 0.000 0.903 638 Q HN 0.559 nan 8.270 nan 0.000 0.433 639 A N 1.037 123.801 122.820 -0.092 0.000 1.929 639 A HA -0.162 4.213 4.320 0.092 0.000 0.216 639 A C 1.281 178.899 177.584 0.058 0.000 1.176 639 A CA 1.633 53.694 52.037 0.040 0.000 0.628 639 A CB -0.055 19.020 19.000 0.126 0.000 0.816 639 A HN 0.198 nan 8.150 nan 0.000 0.444 640 D N -0.819 119.599 120.400 0.030 0.000 2.338 640 D HA 0.031 4.726 4.640 0.092 0.000 0.208 640 D C 0.586 176.970 176.300 0.139 0.000 0.997 640 D CA 0.092 54.139 54.000 0.079 0.000 0.880 640 D CB -0.457 40.388 40.800 0.076 0.000 0.980 640 D HN 0.384 nan 8.370 nan 0.000 0.509 641 N N 0.457 119.245 118.700 0.147 0.000 2.412 641 N HA 0.088 4.884 4.740 0.092 0.000 0.258 641 N C 0.489 176.079 175.510 0.134 0.000 1.236 641 N CA 0.244 53.431 53.050 0.229 0.000 0.882 641 N CB 0.954 39.571 38.487 0.218 0.000 1.066 641 N HN -0.019 nan 8.380 nan 0.000 0.465 642 A N 2.734 125.604 122.820 0.084 0.000 2.140 642 A HA 0.339 4.715 4.320 0.092 0.000 0.209 642 A C 1.108 178.692 177.584 0.001 0.000 1.181 642 A CA 0.493 52.552 52.037 0.036 0.000 0.824 642 A CB -0.514 18.492 19.000 0.010 0.000 0.879 642 A HN 0.675 nan 8.150 nan 0.000 0.480 643 G N -0.009 108.778 108.800 -0.022 0.000 2.588 643 G HA2 0.398 4.414 3.960 0.092 0.000 0.278 643 G HA3 0.398 4.414 3.960 0.092 0.000 0.278 643 G C -1.083 173.744 174.900 -0.122 0.000 1.307 643 G CA -0.264 44.772 45.100 -0.107 0.000 1.016 643 G HN 0.136 nan 8.290 nan 0.000 0.503 644 P HA 0.055 nan 4.420 nan 0.000 0.249 644 P C -0.200 177.038 177.300 -0.103 0.000 1.229 644 P CA 0.236 63.230 63.100 -0.177 0.000 0.788 644 P CB 0.177 31.769 31.700 -0.181 0.000 1.072 645 H N 2.712 121.829 119.070 0.077 0.000 2.610 645 H HA 0.226 4.837 4.556 0.093 0.000 0.336 645 H C -1.914 173.486 175.328 0.120 0.000 1.087 645 H CA -2.664 53.438 56.048 0.091 0.000 1.405 645 H CB -0.125 29.690 29.762 0.088 0.000 1.460 645 H HN 0.205 nan 8.280 nan 0.000 0.538 646 P HA 0.038 nan 4.420 nan 0.000 0.275 646 P C -0.527 176.887 177.300 0.189 0.000 1.227 646 P CA -0.451 62.746 63.100 0.161 0.000 0.781 646 P CB 1.080 32.697 31.700 -0.139 0.000 0.906 647 Q N 2.955 122.853 119.800 0.163 0.000 2.456 647 Q HA 0.458 4.854 4.340 0.092 0.000 0.252 647 Q C -0.245 175.661 176.000 -0.156 0.000 1.042 647 Q CA -0.327 55.446 55.803 -0.050 0.000 0.766 647 Q CB 1.270 29.886 28.738 -0.203 0.000 1.196 647 Q HN 0.519 nan 8.270 nan 0.000 0.504 648 L N 2.000 123.136 121.223 -0.145 0.000 2.322 648 L HA 0.670 5.066 4.340 0.092 0.000 0.269 648 L C -0.129 176.613 176.870 -0.214 0.000 1.012 648 L CA -1.118 53.597 54.840 -0.208 0.000 0.815 648 L CB 1.983 43.867 42.059 -0.292 0.000 1.295 648 L HN 0.439 nan 8.230 nan 0.000 0.438 649 I N 1.538 121.980 120.570 -0.213 0.000 2.533 649 I HA 0.409 4.635 4.170 0.092 0.000 0.290 649 I C -0.856 175.160 176.117 -0.168 0.000 1.056 649 I CA -0.536 60.672 61.300 -0.154 0.000 1.057 649 I CB 1.854 39.798 38.000 -0.094 0.000 1.240 649 I HN 0.635 nan 8.210 nan 0.000 0.423 650 R N 8.250 128.676 120.500 -0.124 0.000 2.288 650 R HA 0.571 4.966 4.340 0.092 0.000 0.326 650 R C -1.666 174.604 176.300 -0.050 0.000 0.959 650 R CA -0.567 55.467 56.100 -0.110 0.000 0.834 650 R CB 0.874 31.100 30.300 -0.122 0.000 1.157 650 R HN 0.630 nan 8.270 nan 0.000 0.470 651 I N 3.820 124.362 120.570 -0.047 0.000 2.330 651 I HA 0.186 4.411 4.170 0.092 0.000 0.289 651 I C 0.253 176.367 176.117 -0.005 0.000 1.001 651 I CA -0.539 60.769 61.300 0.014 0.000 1.193 651 I CB 1.578 39.597 38.000 0.032 0.000 1.345 651 I HN 0.350 nan 8.210 nan 0.000 0.461 652 E N 5.324 125.528 120.200 0.006 0.000 2.290 652 E HA 0.198 4.604 4.350 0.092 0.000 0.277 652 E C 0.108 176.711 176.600 0.006 0.000 1.035 652 E CA 0.010 56.409 56.400 -0.001 0.000 0.873 652 E CB 1.413 31.114 29.700 0.002 0.000 1.029 652 E HN 0.691 nan 8.360 nan 0.000 0.419 663 V N -0.182 119.677 119.914 -0.092 0.000 2.490 663 V HA -0.162 4.014 4.120 0.092 0.000 0.250 663 V C 1.911 177.763 176.094 -0.404 0.000 1.061 663 V CA 2.080 64.227 62.300 -0.255 0.000 1.064 663 V CB -1.338 30.353 31.823 -0.220 0.000 0.670 663 V HN 0.650 nan 8.190 nan 0.000 0.461 664 A N 0.660 123.339 122.820 -0.236 0.000 1.908 664 A HA -0.193 4.182 4.320 0.092 0.000 0.218 664 A C 2.368 179.829 177.584 -0.204 0.000 1.181 664 A CA 2.238 54.151 52.037 -0.207 0.000 0.627 664 A CB -0.561 18.371 19.000 -0.113 0.000 0.818 664 A HN 0.603 nan 8.150 nan 0.000 0.445 665 K N -0.487 119.820 120.400 -0.156 0.000 2.103 665 K HA 0.049 4.424 4.320 0.092 0.000 0.204 665 K C 1.866 178.372 176.600 -0.157 0.000 1.052 665 K CA 1.069 57.283 56.287 -0.121 0.000 0.945 665 K CB -0.314 32.144 32.500 -0.070 0.000 0.722 665 K HN 0.471 nan 8.250 nan 0.000 0.443 666 L N 0.802 121.895 121.223 -0.217 0.000 2.056 666 L HA -0.171 4.224 4.340 0.092 0.000 0.207 666 L C 2.352 178.986 176.870 -0.394 0.000 1.078 666 L CA 1.115 55.820 54.840 -0.225 0.000 0.749 666 L CB -0.461 41.504 42.059 -0.158 0.000 0.901 666 L HN 0.171 nan 8.230 nan 0.000 0.433 667 I N -0.127 120.045 120.570 -0.664 0.000 2.179 667 I HA -0.289 3.936 4.170 0.092 0.000 0.242 667 I C 2.627 178.619 176.117 -0.208 0.000 1.088 667 I CA 1.224 62.181 61.300 -0.570 0.000 1.357 667 I CB -0.198 37.481 38.000 -0.535 0.000 1.051 667 I HN 0.249 nan 8.210 nan 0.000 0.409 668 E N 1.035 121.132 120.200 -0.171 0.000 2.058 668 E HA -0.315 4.091 4.350 0.092 0.000 0.194 668 E C 2.115 178.674 176.600 -0.069 0.000 0.997 668 E CA 1.761 58.109 56.400 -0.087 0.000 0.801 668 E CB -0.214 29.438 29.700 -0.081 0.000 0.746 668 E HN 0.419 nan 8.360 nan 0.000 0.450 669 Q N -0.527 119.221 119.800 -0.087 0.000 2.084 669 Q HA -0.150 4.245 4.340 0.092 0.000 0.202 669 Q C 2.238 178.176 176.000 -0.104 0.000 0.978 669 Q CA 1.952 57.708 55.803 -0.078 0.000 0.844 669 Q CB -0.234 28.464 28.738 -0.066 0.000 0.898 669 Q HN 0.210 nan 8.270 nan 0.000 0.426 670 S N 0.019 115.661 115.700 -0.097 0.000 2.368 670 S HA -0.149 4.377 4.470 0.092 0.000 0.225 670 S C 1.900 176.413 174.600 -0.144 0.000 1.030 670 S CA 0.943 59.032 58.200 -0.185 0.000 0.999 670 S CB -0.395 62.842 63.200 0.062 0.000 0.844 670 S HN 0.592 nan 8.310 nan 0.000 0.459 671 A N 2.040 124.883 122.820 0.038 0.000 1.865 671 A HA -0.190 4.186 4.320 0.092 0.000 0.217 671 A C 1.829 179.488 177.584 0.125 0.000 1.191 671 A CA 1.957 54.078 52.037 0.141 0.000 0.623 671 A CB -0.876 18.191 19.000 0.112 0.000 0.826 671 A HN 0.385 nan 8.150 nan 0.000 0.444 672 D N -0.059 120.371 120.400 0.050 0.000 2.123 672 D HA -0.132 4.564 4.640 0.092 0.000 0.196 672 D C 1.855 178.220 176.300 0.109 0.000 0.992 672 D CA 1.220 55.260 54.000 0.067 0.000 0.833 672 D CB -0.374 40.426 40.800 -0.000 0.000 0.954 672 D HN 0.527 nan 8.370 nan 0.000 0.455 673 I N 0.038 120.602 120.570 -0.010 0.000 2.179 673 I HA -0.297 3.928 4.170 0.092 0.000 0.242 673 I C 2.121 178.319 176.117 0.135 0.000 1.088 673 I CA 0.987 62.279 61.300 -0.013 0.000 1.357 673 I CB -0.166 37.691 38.000 -0.239 0.000 1.051 673 I HN 0.008 nan 8.210 nan 0.000 0.409 674 Y N 0.641 121.057 120.300 0.194 0.000 2.242 674 Y HA -0.112 4.493 4.550 0.092 0.000 0.291 674 Y C 2.609 178.742 175.900 0.387 0.000 1.137 674 Y CA 0.647 58.911 58.100 0.274 0.000 1.181 674 Y CB -1.255 37.407 38.460 0.336 0.000 0.989 674 Y HN 0.107 nan 8.280 nan 0.000 0.527 675 A N -0.109 123.016 122.820 0.507 0.000 1.877 675 A HA -0.223 4.153 4.320 0.092 0.000 0.216 675 A C 2.179 180.074 177.584 0.518 0.000 1.186 675 A CA 1.575 53.919 52.037 0.512 0.000 0.620 675 A CB -1.393 17.805 19.000 0.330 0.000 0.822 675 A HN 0.418 nan 8.150 nan 0.000 0.443 676 F N 1.496 121.622 119.950 0.294 0.000 2.095 676 F HA -0.178 4.404 4.527 0.092 0.000 0.298 676 F C 2.483 178.503 175.800 0.367 0.000 1.104 676 F CA 2.365 60.551 58.000 0.310 0.000 1.232 676 F CB -0.758 38.365 39.000 0.205 0.000 0.987 676 F HN 0.218 nan 8.300 nan 0.000 0.475 677 T N 1.588 116.371 114.554 0.382 0.000 2.684 677 T HA -0.194 4.211 4.350 0.092 0.000 0.267 677 T C 2.173 177.067 174.700 0.323 0.000 1.036 677 T CA 1.880 64.142 62.100 0.269 0.000 1.148 677 T CB -0.586 68.470 68.868 0.314 0.000 0.863 677 T HN 0.248 nan 8.240 nan 0.000 0.436 678 L N -0.619 120.886 121.223 0.470 0.000 2.056 678 L HA -0.079 4.316 4.340 0.092 0.000 0.207 678 L C 2.408 179.615 176.870 0.562 0.000 1.078 678 L CA 1.439 56.574 54.840 0.491 0.000 0.749 678 L CB -0.559 41.680 42.059 0.301 0.000 0.901 678 L HN 0.244 nan 8.230 nan 0.000 0.433 679 Y N 0.955 121.496 120.300 0.402 0.000 2.181 679 Y HA -0.146 4.459 4.550 0.092 0.000 0.288 679 Y C 1.832 177.801 175.900 0.115 0.000 1.146 679 Y CA 0.938 59.209 58.100 0.285 0.000 1.164 679 Y CB 0.075 38.636 38.460 0.168 0.000 0.982 679 Y HN 0.127 nan 8.280 nan 0.000 0.515 683 Y N 1.777 122.105 120.300 0.046 0.000 2.544 683 Y HA 0.351 4.956 4.550 0.093 0.000 0.330 683 Y C 1.830 177.892 175.900 0.270 0.000 1.136 683 Y CA 0.315 58.478 58.100 0.105 0.000 1.417 683 Y CB 0.830 39.319 38.460 0.048 0.000 1.229 683 Y HN -0.016 nan 8.280 nan 0.000 0.532 684 R N 1.846 122.557 120.500 0.353 0.000 2.290 684 R HA 0.083 4.478 4.340 0.092 0.000 0.197 684 R C -0.203 176.379 176.300 0.470 0.000 0.913 684 R CA 0.346 56.662 56.100 0.361 0.000 1.040 684 R CB 0.419 30.823 30.300 0.173 0.000 0.992 684 R HN 0.767 nan 8.270 nan 0.000 0.500 685 E N 0.186 120.623 120.200 0.395 0.000 2.446 685 E HA 0.286 4.691 4.350 0.092 0.000 0.276 685 E C -0.906 175.659 176.600 -0.059 0.000 0.969 685 E CA -0.875 55.683 56.400 0.263 0.000 0.800 685 E CB 1.104 30.901 29.700 0.160 0.000 1.341 685 E HN -0.146 nan 8.360 nan 0.000 0.460 686 L N 1.255 122.339 121.223 -0.233 0.000 2.514 686 L HA 0.186 4.582 4.340 0.092 0.000 0.280 686 L C -1.954 174.730 176.870 -0.310 0.000 1.223 686 L CA -1.498 53.083 54.840 -0.432 0.000 0.864 686 L CB -0.383 41.505 42.059 -0.284 0.000 1.118 686 L HN 0.424 nan 8.230 nan 0.000 0.494 687 P HA 0.022 nan 4.420 nan 0.000 0.264 687 P C -0.520 176.682 177.300 -0.164 0.000 1.173 687 P CA 0.476 63.320 63.100 -0.427 0.000 0.761 687 P CB 0.525 31.827 31.700 -0.664 0.000 0.794 688 R N 0.000 120.480 120.500 -0.033 0.000 2.786 688 R HA 0.000 4.396 4.340 0.092 0.000 0.208 688 R CA 0.000 56.088 56.100 -0.020 0.000 0.921 688 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 688 R HN 0.000 nan 8.270 nan 0.000 0.535