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 1xxh_1_H DATA FIRST_RESID 3 DATA SEQUENCE YQVLARKWRP QTFADVVGQE HVLTALANGL SLGRIHHAYL FSGTRGVGKT DATA SEQUENCE SIARLLAKGL NCETGITATP CGVCDNCREI EQGRFVDLIE IDAASRTKVE DATA SEQUENCE DTRDLLDNVQ YAPARGRFKV YLIDEVHMLS RHSFNALLKT LEEPPEHVKF DATA SEQUENCE LLATTDPQKL PVTILSRCLQ FHLKALDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLG TLDDDQALSL DATA SEQUENCE VEAMVEANGE RVMALINEAA ARGIEWEALL VEMLGLLHRI AMVQLSPAAL DATA SEQUENCE GNDMAAIELR MRELARTIPP TDIQLYYQTL LIGRKELPYA PDRRMGVEMT DATA SEQUENCE LLRALAFHPR MPLPEP 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.890 175.900 -0.016 0.000 1.272 3 Y CA 0.000 58.094 58.100 -0.009 0.000 1.940 3 Y CB 0.000 38.453 38.460 -0.011 0.000 1.050 4 Q N 2.546 122.417 119.800 0.117 0.000 2.518 4 Q HA 0.465 4.805 4.340 -0.000 0.000 0.254 4 Q C -1.635 174.378 176.000 0.021 0.000 0.962 4 Q CA -0.960 54.843 55.803 0.000 0.000 0.982 4 Q CB 3.492 32.212 28.738 -0.030 0.000 1.516 4 Q HN 0.602 nan 8.270 nan 0.000 0.426 5 V N 1.248 121.164 119.914 0.003 0.000 2.417 5 V HA 0.430 4.549 4.120 -0.000 0.000 0.291 5 V C 1.235 177.354 176.094 0.043 0.000 1.024 5 V CA -0.665 61.652 62.300 0.029 0.000 0.861 5 V CB 0.995 32.832 31.823 0.023 0.000 0.985 5 V HN 0.955 nan 8.190 nan 0.000 0.436 6 L N 3.312 124.592 121.223 0.095 0.000 2.103 6 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 6 L C 2.833 179.805 176.870 0.169 0.000 1.080 6 L CA 2.245 57.204 54.840 0.198 0.000 0.764 6 L CB -0.792 41.401 42.059 0.224 0.000 0.890 6 L HN 0.896 nan 8.230 nan 0.000 0.435 7 A N -0.275 122.601 122.820 0.093 0.000 2.024 7 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 7 A C 2.506 180.120 177.584 0.050 0.000 1.164 7 A CA 2.080 54.158 52.037 0.067 0.000 0.643 7 A CB -0.510 18.512 19.000 0.038 0.000 0.806 7 A HN 0.482 nan 8.150 nan 0.000 0.451 8 R N -1.050 119.464 120.500 0.023 0.000 2.221 8 R HA 0.120 4.460 4.340 -0.000 0.000 0.195 8 R C 2.077 178.340 176.300 -0.061 0.000 0.956 8 R CA 0.785 56.873 56.100 -0.020 0.000 1.064 8 R CB -0.161 30.112 30.300 -0.046 0.000 1.049 8 R HN 0.430 nan 8.270 nan 0.000 0.534 9 K N -0.267 120.081 120.400 -0.086 0.000 2.097 9 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 9 K C 0.219 176.571 176.600 -0.414 0.000 1.049 9 K CA 1.439 57.559 56.287 -0.278 0.000 0.933 9 K CB 0.036 32.337 32.500 -0.332 0.000 0.717 9 K HN 0.215 nan 8.250 nan 0.000 0.442 10 W N 1.435 122.725 121.300 -0.016 0.000 2.862 10 W HA 0.291 4.951 4.660 -0.000 0.000 0.426 10 W C -0.305 176.205 176.519 -0.015 0.000 0.950 10 W CA -0.857 56.484 57.345 -0.008 0.000 2.150 10 W CB 0.352 29.816 29.460 0.008 0.000 1.161 10 W HN -0.130 nan 8.180 nan 0.000 0.696 11 R N 2.636 123.196 120.500 0.100 0.000 2.457 11 R HA 0.075 4.415 4.340 -0.000 0.000 0.335 11 R C -2.059 174.269 176.300 0.047 0.000 1.003 11 R CA -1.362 54.772 56.100 0.056 0.000 1.003 11 R CB 0.086 30.389 30.300 0.006 0.000 0.950 11 R HN -0.171 nan 8.270 nan 0.000 0.428 12 P HA -0.164 nan 4.420 nan 0.000 0.255 12 P C -0.424 176.886 177.300 0.016 0.000 1.141 12 P CA 0.800 63.930 63.100 0.050 0.000 0.767 12 P CB 0.471 32.193 31.700 0.037 0.000 0.726 13 Q N 0.994 120.800 119.800 0.010 0.000 2.394 13 Q HA 0.120 4.460 4.340 -0.000 0.000 0.218 13 Q C 0.147 176.119 176.000 -0.046 0.000 0.907 13 Q CA 0.517 56.302 55.803 -0.029 0.000 0.919 13 Q CB 0.136 28.851 28.738 -0.038 0.000 1.051 13 Q HN 0.282 nan 8.270 nan 0.000 0.538 14 T N 0.115 114.662 114.554 -0.011 0.000 2.942 14 T HA 0.298 4.648 4.350 -0.000 0.000 0.289 14 T C -0.081 174.676 174.700 0.095 0.000 1.044 14 T CA -0.721 61.367 62.100 -0.020 0.000 1.023 14 T CB 0.991 69.855 68.868 -0.007 0.000 1.123 14 T HN -0.050 nan 8.240 nan 0.000 0.512 15 F N 1.200 121.109 119.950 -0.068 0.000 2.333 15 F HA 0.011 4.538 4.527 -0.000 0.000 0.300 15 F C 2.457 178.209 175.800 -0.079 0.000 1.083 15 F CA 0.416 58.364 58.000 -0.086 0.000 1.395 15 F CB -1.138 37.808 39.000 -0.091 0.000 1.056 15 F HN 0.713 nan 8.300 nan 0.000 0.529 16 A N -0.427 122.471 122.820 0.129 0.000 1.968 16 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 16 A C 1.895 179.488 177.584 0.015 0.000 1.169 16 A CA 1.478 53.541 52.037 0.043 0.000 0.638 16 A CB -0.489 18.531 19.000 0.033 0.000 0.812 16 A HN 0.205 nan 8.150 nan 0.000 0.446 17 D N -0.057 120.366 120.400 0.039 0.000 2.312 17 D HA 0.031 4.671 4.640 -0.000 0.000 0.211 17 D C 0.603 176.903 176.300 -0.000 0.000 0.964 17 D CA 0.313 54.333 54.000 0.033 0.000 0.877 17 D CB -0.297 40.548 40.800 0.075 0.000 0.924 17 D HN 0.195 nan 8.370 nan 0.000 0.515 18 V N 1.644 121.550 119.914 -0.014 0.000 2.763 18 V HA -0.006 4.114 4.120 -0.000 0.000 0.306 18 V C 0.710 176.750 176.094 -0.090 0.000 1.059 18 V CA -0.204 62.060 62.300 -0.060 0.000 1.138 18 V CB 1.530 33.289 31.823 -0.106 0.000 0.940 18 V HN -0.172 nan 8.190 nan 0.000 0.489 19 V N 4.414 124.271 119.914 -0.094 0.000 2.539 19 V HA 0.662 4.782 4.120 -0.000 0.000 0.292 19 V C 1.417 177.445 176.094 -0.110 0.000 1.045 19 V CA 0.680 62.918 62.300 -0.103 0.000 0.945 19 V CB 0.604 32.373 31.823 -0.091 0.000 0.993 19 V HN 1.160 nan 8.190 nan 0.000 0.464 20 G N 3.651 112.383 108.800 -0.113 0.000 3.019 20 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.231 20 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.231 20 G C 0.549 175.383 174.900 -0.110 0.000 1.225 20 G CA 0.800 45.838 45.100 -0.103 0.000 0.845 20 G HN 0.737 nan 8.290 nan 0.000 0.527 21 Q N 1.506 121.232 119.800 -0.123 0.000 3.026 21 Q HA 0.408 4.748 4.340 -0.000 0.000 0.258 21 Q C 1.196 177.077 176.000 -0.198 0.000 1.388 21 Q CA 0.201 55.925 55.803 -0.132 0.000 1.000 21 Q CB 0.316 28.971 28.738 -0.139 0.000 1.634 21 Q HN 0.750 nan 8.270 nan 0.000 0.571 22 E N 0.005 120.064 120.200 -0.235 0.000 2.046 22 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 22 E C 1.092 177.462 176.600 -0.383 0.000 0.982 22 E CA 1.022 57.215 56.400 -0.346 0.000 0.800 22 E CB 0.065 29.495 29.700 -0.450 0.000 0.756 22 E HN 0.507 nan 8.360 nan 0.000 0.449 23 H N -0.253 118.762 119.070 -0.091 0.000 2.559 23 H HA 0.085 4.641 4.556 -0.000 0.000 0.273 23 H C 1.328 176.587 175.328 -0.114 0.000 1.000 23 H CA 0.692 56.700 56.048 -0.067 0.000 1.195 23 H CB 0.332 30.091 29.762 -0.006 0.000 1.368 23 H HN 0.046 nan 8.280 nan 0.000 0.592 24 V N 0.453 120.288 119.914 -0.132 0.000 3.590 24 V HA -0.012 4.108 4.120 -0.000 0.000 0.265 24 V C 2.067 177.854 176.094 -0.512 0.000 1.239 24 V CA 0.517 62.615 62.300 -0.337 0.000 1.117 24 V CB 0.139 31.819 31.823 -0.239 0.000 0.818 24 V HN 0.246 nan 8.190 nan 0.000 0.451 25 L N -0.846 120.116 121.223 -0.435 0.000 2.556 25 L HA 0.090 4.430 4.340 -0.000 0.000 0.226 25 L C 2.196 178.829 176.870 -0.396 0.000 1.089 25 L CA 0.637 55.123 54.840 -0.591 0.000 0.864 25 L CB -0.092 41.649 42.059 -0.531 0.000 1.067 25 L HN 0.245 nan 8.230 nan 0.000 0.477 26 T N -0.216 114.197 114.554 -0.235 0.000 3.009 26 T HA 0.085 4.435 4.350 -0.000 0.000 0.258 26 T C 2.020 176.695 174.700 -0.042 0.000 1.063 26 T CA 0.931 62.971 62.100 -0.100 0.000 1.139 26 T CB 0.231 69.086 68.868 -0.022 0.000 0.890 26 T HN 0.319 nan 8.240 nan 0.000 0.471 27 A N 1.629 124.410 122.820 -0.066 0.000 1.873 27 A HA 0.113 4.433 4.320 -0.000 0.000 0.215 27 A C 2.172 179.770 177.584 0.022 0.000 1.186 27 A CA 1.026 53.085 52.037 0.036 0.000 0.616 27 A CB -0.796 18.277 19.000 0.123 0.000 0.823 27 A HN 0.441 nan 8.150 nan 0.000 0.442 28 L N -0.755 120.384 121.223 -0.140 0.000 2.291 28 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 28 L C 2.938 179.860 176.870 0.086 0.000 1.120 28 L CA 0.688 55.501 54.840 -0.044 0.000 0.799 28 L CB -0.457 41.505 42.059 -0.161 0.000 0.925 28 L HN 0.455 nan 8.230 nan 0.000 0.446 29 A N 0.248 123.096 122.820 0.047 0.000 1.930 29 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 29 A C 1.999 179.640 177.584 0.096 0.000 1.175 29 A CA 1.805 53.914 52.037 0.121 0.000 0.627 29 A CB -0.472 18.567 19.000 0.067 0.000 0.815 29 A HN 0.372 nan 8.150 nan 0.000 0.443 30 N N -0.141 118.607 118.700 0.081 0.000 2.270 30 N HA -0.011 4.729 4.740 -0.000 0.000 0.181 30 N C 1.731 177.304 175.510 0.105 0.000 1.016 30 N CA 1.262 54.364 53.050 0.087 0.000 0.870 30 N CB -0.320 38.221 38.487 0.090 0.000 0.979 30 N HN 0.416 nan 8.380 nan 0.000 0.431 31 G N 0.063 108.941 108.800 0.130 0.000 2.394 31 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.214 31 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.214 31 G C 1.217 176.187 174.900 0.117 0.000 1.176 31 G CA 0.246 45.439 45.100 0.154 0.000 0.786 31 G HN 0.246 nan 8.290 nan 0.000 0.533 32 L N 1.066 122.349 121.223 0.100 0.000 2.610 32 L HA 0.104 4.443 4.340 -0.000 0.000 0.232 32 L C 2.401 179.310 176.870 0.065 0.000 1.149 32 L CA 0.143 55.026 54.840 0.071 0.000 0.872 32 L CB 0.233 42.324 42.059 0.052 0.000 0.992 32 L HN 0.194 nan 8.230 nan 0.000 0.447 33 S N -0.953 114.790 115.700 0.072 0.000 2.620 33 S HA 0.103 4.573 4.470 -0.000 0.000 0.234 33 S C 1.567 176.203 174.600 0.060 0.000 1.064 33 S CA -0.047 58.189 58.200 0.059 0.000 0.920 33 S CB 0.202 63.436 63.200 0.057 0.000 0.826 33 S HN 0.255 nan 8.310 nan 0.000 0.557 34 L N 1.239 122.502 121.223 0.067 0.000 2.418 34 L HA 0.190 4.530 4.340 -0.000 0.000 0.218 34 L C 1.205 178.115 176.870 0.067 0.000 1.125 34 L CA 0.671 55.549 54.840 0.063 0.000 0.835 34 L CB -0.087 42.011 42.059 0.065 0.000 0.953 34 L HN 0.607 nan 8.230 nan 0.000 0.454 35 G N 0.726 109.574 108.800 0.079 0.000 2.142 35 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.225 35 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.225 35 G C 0.193 175.139 174.900 0.077 0.000 1.015 35 G CA -0.272 44.879 45.100 0.084 0.000 0.716 35 G HN 0.386 nan 8.290 nan 0.000 0.508 36 R N 0.150 120.708 120.500 0.097 0.000 3.657 36 R HA 0.427 4.767 4.340 -0.000 0.000 0.220 36 R C 0.506 176.914 176.300 0.181 0.000 1.548 36 R CA -0.365 55.795 56.100 0.101 0.000 1.465 36 R CB 0.433 30.819 30.300 0.145 0.000 1.330 36 R HN 0.507 nan 8.270 nan 0.000 0.707 37 I N 2.079 122.699 120.570 0.084 0.000 2.342 37 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 37 I C 0.113 176.195 176.117 -0.058 0.000 1.010 37 I CA -0.447 60.923 61.300 0.116 0.000 1.308 37 I CB 0.462 38.425 38.000 -0.062 0.000 1.400 37 I HN 0.473 nan 8.210 nan 0.000 0.488 38 H N 6.379 125.337 119.070 -0.186 0.000 2.488 38 H HA 0.248 4.804 4.556 -0.000 0.000 0.347 38 H C 0.163 175.266 175.328 -0.375 0.000 1.174 38 H CA -0.736 55.055 56.048 -0.428 0.000 1.307 38 H CB 1.210 30.624 29.762 -0.581 0.000 1.517 38 H HN 0.637 nan 8.280 nan 0.000 0.554 39 H N 0.173 119.228 119.070 -0.024 0.000 2.563 39 H HA 0.209 4.765 4.556 -0.000 0.000 0.272 39 H C 0.065 175.447 175.328 0.090 0.000 1.005 39 H CA 0.475 56.539 56.048 0.026 0.000 1.171 39 H CB 0.294 30.072 29.762 0.025 0.000 1.351 39 H HN 0.515 nan 8.280 nan 0.000 0.602 40 A N 0.377 123.218 122.820 0.035 0.000 2.500 40 A HA 0.472 4.792 4.320 -0.000 0.000 0.291 40 A C -1.823 175.617 177.584 -0.239 0.000 1.048 40 A CA -0.624 51.431 52.037 0.030 0.000 0.791 40 A CB 0.694 19.713 19.000 0.031 0.000 1.309 40 A HN 0.121 nan 8.150 nan 0.000 0.397 41 Y N 1.445 121.722 120.300 -0.038 0.000 2.341 41 Y HA 0.606 5.156 4.550 -0.000 0.000 0.338 41 Y C -0.212 175.464 175.900 -0.373 0.000 0.965 41 Y CA -0.657 57.296 58.100 -0.246 0.000 1.108 41 Y CB 2.204 40.492 38.460 -0.285 0.000 1.180 41 Y HN 0.667 nan 8.280 nan 0.000 0.458 42 L N 4.810 125.861 121.223 -0.287 0.000 2.287 42 L HA 0.599 4.939 4.340 -0.000 0.000 0.287 42 L C -1.839 174.878 176.870 -0.255 0.000 1.022 42 L CA -0.509 54.203 54.840 -0.213 0.000 0.814 42 L CB 0.159 42.149 42.059 -0.115 0.000 1.217 42 L HN 0.373 nan 8.230 nan 0.000 0.420 43 F N 4.028 124.066 119.950 0.146 0.000 2.366 43 F HA 0.513 5.040 4.527 -0.000 0.000 0.366 43 F C 0.641 176.475 175.800 0.057 0.000 1.096 43 F CA -0.497 57.574 58.000 0.119 0.000 1.060 43 F CB 1.292 40.347 39.000 0.092 0.000 1.282 43 F HN 0.567 nan 8.300 nan 0.000 0.450 44 S N 1.712 117.534 115.700 0.203 0.000 2.719 44 S HA 0.987 5.457 4.470 -0.000 0.000 0.285 44 S C 0.091 174.686 174.600 -0.008 0.000 1.137 44 S CA -0.180 58.078 58.200 0.096 0.000 1.012 44 S CB 1.769 65.032 63.200 0.105 0.000 1.134 44 S HN 1.395 nan 8.310 nan 0.000 0.544 45 G N -0.302 108.474 108.800 -0.040 0.000 2.402 45 G HA2 0.246 4.206 3.960 -0.000 0.000 0.666 45 G HA3 0.246 4.206 3.960 -0.000 0.000 0.666 45 G C -0.575 174.301 174.900 -0.040 0.000 1.402 45 G CA -0.598 44.421 45.100 -0.134 0.000 0.920 45 G HN 0.924 nan 8.290 nan 0.000 0.651 46 T N 0.983 115.522 114.554 -0.024 0.000 2.937 46 T HA 0.382 4.731 4.350 -0.000 0.000 0.316 46 T C 1.230 175.929 174.700 -0.001 0.000 1.079 46 T CA 0.679 62.781 62.100 0.002 0.000 1.131 46 T CB 0.428 69.302 68.868 0.011 0.000 1.000 46 T HN 1.075 nan 8.240 nan 0.000 0.549 47 R N 1.260 121.768 120.500 0.015 0.000 2.640 47 R HA 0.373 4.713 4.340 -0.000 0.000 0.270 47 R C 1.229 177.533 176.300 0.006 0.000 1.024 47 R CA 0.878 56.989 56.100 0.017 0.000 1.085 47 R CB -0.428 29.890 30.300 0.030 0.000 0.963 47 R HN 0.855 nan 8.270 nan 0.000 0.426 48 G N 1.139 109.939 108.800 -0.000 0.000 2.339 48 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.209 48 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.209 48 G C -0.186 174.701 174.900 -0.022 0.000 1.015 48 G CA -0.141 44.954 45.100 -0.007 0.000 0.635 48 G HN 0.627 nan 8.290 nan 0.000 0.499 49 V N 1.738 121.632 119.914 -0.033 0.000 3.003 49 V HA 0.551 4.671 4.120 -0.000 0.000 0.305 49 V C 1.767 177.821 176.094 -0.067 0.000 1.078 49 V CA 0.489 62.754 62.300 -0.057 0.000 1.083 49 V CB 1.494 33.270 31.823 -0.079 0.000 1.039 49 V HN 0.899 nan 8.190 nan 0.000 0.481 50 G N 1.641 110.385 108.800 -0.093 0.000 3.325 50 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.242 50 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.242 50 G C 0.969 175.767 174.900 -0.170 0.000 1.120 50 G CA -0.194 44.838 45.100 -0.113 0.000 1.778 50 G HN 0.825 nan 8.290 nan 0.000 0.610 51 K N 0.016 120.339 120.400 -0.128 0.000 1.985 51 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 51 K C 2.939 179.455 176.600 -0.141 0.000 1.047 51 K CA 1.891 58.097 56.287 -0.134 0.000 0.932 51 K CB -0.325 32.180 32.500 0.009 0.000 0.716 51 K HN 0.470 nan 8.250 nan 0.000 0.439 52 T N -1.112 113.414 114.554 -0.046 0.000 2.777 52 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 52 T C 2.239 176.903 174.700 -0.059 0.000 1.040 52 T CA 1.695 63.787 62.100 -0.013 0.000 1.141 52 T CB -0.324 68.555 68.868 0.019 0.000 0.868 52 T HN 0.082 nan 8.240 nan 0.000 0.444 53 S N 0.918 116.572 115.700 -0.075 0.000 2.365 53 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 53 S C 1.926 176.466 174.600 -0.101 0.000 1.039 53 S CA 1.530 59.687 58.200 -0.073 0.000 1.033 53 S CB -0.647 62.513 63.200 -0.066 0.000 0.887 53 S HN 0.636 nan 8.310 nan 0.000 0.447 54 I N 0.970 121.417 120.570 -0.205 0.000 3.059 54 I HA 0.027 4.197 4.170 -0.000 0.000 0.270 54 I C 2.375 178.344 176.117 -0.248 0.000 1.238 54 I CA 0.660 61.809 61.300 -0.253 0.000 1.478 54 I CB -0.318 37.380 38.000 -0.505 0.000 1.097 54 I HN 0.320 nan 8.210 nan 0.000 0.455 55 A N 0.928 123.605 122.820 -0.238 0.000 2.067 55 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 55 A C 2.360 179.949 177.584 0.008 0.000 1.156 55 A CA 0.817 52.826 52.037 -0.047 0.000 0.683 55 A CB -0.265 18.788 19.000 0.089 0.000 0.808 55 A HN 0.285 nan 8.150 nan 0.000 0.455 56 R N -0.437 120.048 120.500 -0.025 0.000 2.075 56 R HA 0.133 4.473 4.340 -0.000 0.000 0.226 56 R C 1.592 177.848 176.300 -0.074 0.000 1.114 56 R CA 1.032 57.110 56.100 -0.037 0.000 0.972 56 R CB -0.386 29.889 30.300 -0.041 0.000 0.869 56 R HN 0.452 nan 8.270 nan 0.000 0.437 57 L N 1.086 122.275 121.223 -0.058 0.000 2.549 57 L HA -0.105 4.235 4.340 -0.000 0.000 0.229 57 L C 2.029 178.730 176.870 -0.282 0.000 1.158 57 L CA 0.271 55.017 54.840 -0.156 0.000 0.842 57 L CB -0.228 41.825 42.059 -0.011 0.000 0.952 57 L HN 0.193 nan 8.230 nan 0.000 0.452 58 L N -0.011 121.163 121.223 -0.082 0.000 2.200 58 L HA 0.152 4.492 4.340 -0.000 0.000 0.200 58 L C 2.484 179.293 176.870 -0.102 0.000 1.072 58 L CA 1.530 56.333 54.840 -0.062 0.000 0.787 58 L CB -0.374 41.701 42.059 0.026 0.000 0.957 58 L HN 0.038 nan 8.230 nan 0.000 0.459 59 A N -1.017 121.763 122.820 -0.067 0.000 2.206 59 A HA -0.110 4.210 4.320 -0.000 0.000 0.211 59 A C 2.239 179.749 177.584 -0.124 0.000 1.158 59 A CA 1.096 53.103 52.037 -0.051 0.000 0.761 59 A CB -0.550 18.444 19.000 -0.010 0.000 0.801 59 A HN 0.443 nan 8.150 nan 0.000 0.473 60 K N -0.847 119.449 120.400 -0.173 0.000 2.361 60 K HA 0.032 4.351 4.320 -0.000 0.000 0.196 60 K C 1.477 177.957 176.600 -0.201 0.000 1.039 60 K CA 0.779 56.935 56.287 -0.219 0.000 1.001 60 K CB -0.064 32.303 32.500 -0.221 0.000 0.795 60 K HN 0.404 nan 8.250 nan 0.000 0.495 61 G N -0.220 108.466 108.800 -0.190 0.000 3.062 61 G HA2 0.076 4.035 3.960 -0.000 0.000 0.228 61 G HA3 0.076 4.035 3.960 -0.000 0.000 0.228 61 G C 1.091 175.969 174.900 -0.038 0.000 1.094 61 G CA -0.263 44.743 45.100 -0.157 0.000 0.782 61 G HN 0.058 nan 8.290 nan 0.000 0.541 62 L N 0.210 121.441 121.223 0.013 0.000 2.130 62 L HA 0.134 4.474 4.340 -0.000 0.000 0.200 62 L C 2.070 179.131 176.870 0.319 0.000 1.075 62 L CA 0.602 55.569 54.840 0.211 0.000 0.768 62 L CB -0.069 42.086 42.059 0.159 0.000 0.933 62 L HN 0.058 nan 8.230 nan 0.000 0.451 63 N N -0.478 118.316 118.700 0.158 0.000 2.373 63 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 63 N C 0.637 176.153 175.510 0.009 0.000 1.082 63 N CA 0.063 53.172 53.050 0.098 0.000 0.885 63 N CB -0.291 38.251 38.487 0.092 0.000 0.977 63 N HN 0.251 nan 8.380 nan 0.000 0.462 64 C N 2.331 121.609 119.300 -0.037 0.000 2.431 64 C HA -0.068 4.392 4.460 -0.000 0.000 0.397 64 C C 1.854 176.831 174.990 -0.021 0.000 1.436 64 C CA 0.028 59.011 59.018 -0.058 0.000 1.596 64 C CB -0.215 27.482 27.740 -0.071 0.000 2.550 64 C HN 0.458 nan 8.230 nan 0.000 0.596 65 E N 1.711 121.898 120.200 -0.022 0.000 2.274 65 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 65 E C 1.905 178.498 176.600 -0.011 0.000 0.996 65 E CA 1.549 57.944 56.400 -0.008 0.000 0.840 65 E CB 0.038 29.735 29.700 -0.004 0.000 0.772 65 E HN 0.898 nan 8.360 nan 0.000 0.491 66 T N 0.358 114.901 114.554 -0.019 0.000 3.155 66 T HA 0.101 4.451 4.350 -0.000 0.000 0.264 66 T C 0.613 175.308 174.700 -0.008 0.000 1.160 66 T CA 0.613 62.703 62.100 -0.017 0.000 1.075 66 T CB -0.016 68.835 68.868 -0.028 0.000 0.921 66 T HN 0.428 nan 8.240 nan 0.000 0.533 67 G N 1.124 109.923 108.800 -0.002 0.000 2.603 67 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 67 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 67 G C -0.657 174.259 174.900 0.028 0.000 1.286 67 G CA -1.105 44.004 45.100 0.014 0.000 0.871 67 G HN 0.354 nan 8.290 nan 0.000 0.568 68 I N 2.330 122.938 120.570 0.065 0.000 2.573 68 I HA 0.199 4.369 4.170 -0.000 0.000 0.295 68 I C 0.899 177.038 176.117 0.036 0.000 1.141 68 I CA 0.437 61.792 61.300 0.091 0.000 1.364 68 I CB -0.560 37.540 38.000 0.168 0.000 1.447 68 I HN 0.523 nan 8.210 nan 0.000 0.571 69 T N 3.557 118.105 114.554 -0.010 0.000 2.942 69 T HA 0.546 4.896 4.350 -0.000 0.000 0.289 69 T C 0.787 175.432 174.700 -0.092 0.000 1.044 69 T CA -0.638 61.437 62.100 -0.040 0.000 1.023 69 T CB 2.260 71.093 68.868 -0.059 0.000 1.123 69 T HN 0.546 nan 8.240 nan 0.000 0.512 70 A N 0.379 123.155 122.820 -0.074 0.000 2.252 70 A HA 0.366 4.686 4.320 -0.000 0.000 0.213 70 A C 0.916 178.394 177.584 -0.177 0.000 1.188 70 A CA 0.056 52.038 52.037 -0.092 0.000 0.863 70 A CB 0.104 19.148 19.000 0.073 0.000 0.893 70 A HN 0.702 nan 8.150 nan 0.000 0.495 71 T N 2.688 117.167 114.554 -0.124 0.000 3.250 71 T HA 0.440 4.790 4.350 -0.000 0.000 0.391 71 T C -2.953 171.673 174.700 -0.122 0.000 1.502 71 T CA -1.046 60.988 62.100 -0.110 0.000 1.320 71 T CB 1.124 69.965 68.868 -0.045 0.000 1.102 71 T HN 0.068 nan 8.240 nan 0.000 0.610 72 P HA 0.290 nan 4.420 nan 0.000 0.274 72 P C 0.002 177.236 177.300 -0.109 0.000 1.231 72 P CA -0.698 62.312 63.100 -0.150 0.000 0.790 72 P CB 0.352 31.929 31.700 -0.206 0.000 0.951 73 C N 0.442 119.690 119.300 -0.087 0.000 2.347 73 C HA 0.622 5.082 4.460 -0.000 0.000 0.353 73 C C 1.840 176.785 174.990 -0.074 0.000 1.273 73 C CA -0.121 58.856 59.018 -0.068 0.000 1.861 73 C CB 0.097 27.807 27.740 -0.050 0.000 2.420 73 C HN 0.770 nan 8.230 nan 0.000 0.542 74 G N 2.067 110.827 108.800 -0.068 0.000 2.653 74 G HA2 0.043 4.003 3.960 -0.000 0.000 0.212 74 G HA3 0.043 4.003 3.960 -0.000 0.000 0.212 74 G C 0.977 175.840 174.900 -0.061 0.000 1.138 74 G CA 1.270 46.329 45.100 -0.069 0.000 0.782 74 G HN 1.392 nan 8.290 nan 0.000 0.535 75 V N -1.467 118.416 119.914 -0.052 0.000 2.922 75 V HA 0.145 4.265 4.120 -0.000 0.000 0.242 75 V C 1.904 177.976 176.094 -0.037 0.000 1.094 75 V CA -0.131 62.144 62.300 -0.042 0.000 1.106 75 V CB -1.086 30.718 31.823 -0.033 0.000 0.799 75 V HN 0.394 nan 8.190 nan 0.000 0.474 76 C N 2.373 121.650 119.300 -0.039 0.000 2.641 76 C HA 0.053 4.513 4.460 -0.000 0.000 0.412 76 C C 1.825 176.798 174.990 -0.028 0.000 1.312 76 C CA 0.571 59.572 59.018 -0.030 0.000 1.838 76 C CB -0.363 27.357 27.740 -0.033 0.000 2.682 76 C HN 0.658 nan 8.230 nan 0.000 0.627 77 D N 2.326 122.723 120.400 -0.004 0.000 2.172 77 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 77 D C 1.601 177.919 176.300 0.031 0.000 0.999 77 D CA 1.858 55.870 54.000 0.020 0.000 0.856 77 D CB -0.114 40.711 40.800 0.042 0.000 0.934 77 D HN 0.721 nan 8.370 nan 0.000 0.453 78 N N 0.069 118.770 118.700 0.003 0.000 2.270 78 N HA -0.086 4.654 4.740 -0.000 0.000 0.181 78 N C 1.903 177.235 175.510 -0.297 0.000 1.016 78 N CA 0.363 53.339 53.050 -0.124 0.000 0.870 78 N CB -0.510 37.888 38.487 -0.148 0.000 0.979 78 N HN 0.230 nan 8.380 nan 0.000 0.431 79 C N 0.635 119.827 119.300 -0.180 0.000 2.475 79 C HA 0.121 4.581 4.460 -0.000 0.000 0.279 79 C C 2.661 177.569 174.990 -0.136 0.000 1.322 79 C CA 0.097 59.007 59.018 -0.179 0.000 1.734 79 C CB -0.569 27.090 27.740 -0.134 0.000 2.005 79 C HN 0.444 nan 8.230 nan 0.000 0.495 80 R N 0.871 121.318 120.500 -0.087 0.000 2.075 80 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 80 R C 1.999 178.275 176.300 -0.041 0.000 1.126 80 R CA 1.322 57.387 56.100 -0.058 0.000 0.963 80 R CB -0.285 29.994 30.300 -0.035 0.000 0.858 80 R HN 0.646 nan 8.270 nan 0.000 0.435 81 E N 0.283 120.475 120.200 -0.012 0.000 2.274 81 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 81 E C 1.822 178.438 176.600 0.026 0.000 0.996 81 E CA 0.747 57.182 56.400 0.058 0.000 0.840 81 E CB 0.049 29.879 29.700 0.216 0.000 0.772 81 E HN 0.393 nan 8.360 nan 0.000 0.491 82 I N 0.749 121.245 120.570 -0.123 0.000 2.480 82 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 82 I C 2.279 178.345 176.117 -0.085 0.000 1.124 82 I CA 0.709 61.911 61.300 -0.163 0.000 1.444 82 I CB 0.153 37.957 38.000 -0.327 0.000 1.098 82 I HN -0.035 nan 8.210 nan 0.000 0.428 83 E N 1.103 121.252 120.200 -0.085 0.000 2.478 83 E HA -0.136 4.214 4.350 -0.000 0.000 0.198 83 E C 1.290 177.866 176.600 -0.040 0.000 1.046 83 E CA 0.837 57.199 56.400 -0.063 0.000 0.870 83 E CB 0.067 29.724 29.700 -0.071 0.000 0.818 83 E HN 0.486 nan 8.360 nan 0.000 0.527 84 Q N -1.405 118.380 119.800 -0.025 0.000 2.172 84 Q HA 0.274 4.614 4.340 -0.000 0.000 0.217 84 Q C 0.939 176.942 176.000 0.006 0.000 0.832 84 Q CA 0.207 56.003 55.803 -0.012 0.000 1.010 84 Q CB 0.948 29.681 28.738 -0.009 0.000 1.133 84 Q HN 0.302 nan 8.270 nan 0.000 0.489 85 G N 2.329 111.136 108.800 0.011 0.000 2.228 85 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.270 85 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.270 85 G C 0.343 175.274 174.900 0.051 0.000 0.976 85 G CA 0.325 45.441 45.100 0.027 0.000 0.636 85 G HN 0.309 nan 8.290 nan 0.000 0.542 86 R N -0.389 120.149 120.500 0.063 0.000 2.247 86 R HA 0.606 4.946 4.340 -0.000 0.000 0.329 86 R C -1.255 175.151 176.300 0.177 0.000 1.014 86 R CA -0.462 55.687 56.100 0.082 0.000 0.907 86 R CB 0.538 30.867 30.300 0.048 0.000 1.146 86 R HN 0.164 nan 8.270 nan 0.000 0.499 87 F N 1.629 121.560 119.950 -0.033 0.000 2.591 87 F HA 0.177 4.704 4.527 -0.000 0.000 0.309 87 F C 0.912 176.685 175.800 -0.046 0.000 1.098 87 F CA -1.046 56.933 58.000 -0.036 0.000 0.937 87 F CB 1.383 40.363 39.000 -0.033 0.000 1.250 87 F HN 0.077 nan 8.300 nan 0.000 0.447 88 V N 2.455 121.875 119.914 -0.824 0.000 2.250 88 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 88 V C 1.424 177.248 176.094 -0.450 0.000 1.060 88 V CA 2.653 64.588 62.300 -0.608 0.000 1.030 88 V CB -0.369 31.051 31.823 -0.671 0.000 0.643 88 V HN 0.753 nan 8.190 nan 0.000 0.445 89 D N -0.552 119.526 120.400 -0.537 0.000 2.333 89 D HA 0.067 4.707 4.640 -0.000 0.000 0.208 89 D C 0.974 177.241 176.300 -0.055 0.000 0.984 89 D CA 0.095 53.984 54.000 -0.184 0.000 0.873 89 D CB 0.184 40.967 40.800 -0.029 0.000 0.935 89 D HN 0.319 nan 8.370 nan 0.000 0.521 90 L N 2.309 123.617 121.223 0.141 0.000 2.395 90 L HA 0.203 4.543 4.340 -0.000 0.000 0.268 90 L C -0.315 176.542 176.870 -0.022 0.000 1.223 90 L CA -0.014 54.894 54.840 0.114 0.000 1.093 90 L CB -0.680 41.524 42.059 0.242 0.000 1.349 90 L HN -0.142 nan 8.230 nan 0.000 0.427 91 I N 3.874 124.336 120.570 -0.180 0.000 2.308 91 I HA 0.129 4.299 4.170 -0.000 0.000 0.293 91 I C 0.266 176.351 176.117 -0.053 0.000 1.078 91 I CA -0.099 61.095 61.300 -0.176 0.000 1.292 91 I CB 0.302 38.071 38.000 -0.386 0.000 1.423 91 I HN 0.501 nan 8.210 nan 0.000 0.493 92 E N 7.430 127.639 120.200 0.015 0.000 2.130 92 E HA 0.455 4.805 4.350 -0.000 0.000 0.284 92 E C -0.660 175.990 176.600 0.083 0.000 1.018 92 E CA -0.323 56.116 56.400 0.064 0.000 0.817 92 E CB 1.531 31.266 29.700 0.058 0.000 1.078 92 E HN 0.497 nan 8.360 nan 0.000 0.396 93 I N 2.700 123.344 120.570 0.122 0.000 2.362 93 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 93 I C -0.271 175.914 176.117 0.114 0.000 0.994 93 I CA -0.675 60.700 61.300 0.125 0.000 1.158 93 I CB 1.326 39.428 38.000 0.171 0.000 1.315 93 I HN 0.399 nan 8.210 nan 0.000 0.451 94 D N 6.225 126.680 120.400 0.091 0.000 2.456 94 D HA 0.275 4.915 4.640 -0.000 0.000 0.219 94 D C 0.812 177.158 176.300 0.077 0.000 1.126 94 D CA -0.270 53.779 54.000 0.082 0.000 0.890 94 D CB 1.682 42.521 40.800 0.064 0.000 1.025 94 D HN 0.654 nan 8.370 nan 0.000 0.511 95 A N 3.037 125.909 122.820 0.086 0.000 2.264 95 A HA 0.167 4.487 4.320 -0.000 0.000 0.207 95 A C 1.555 179.164 177.584 0.041 0.000 1.196 95 A CA 1.067 53.148 52.037 0.073 0.000 0.778 95 A CB -0.024 19.031 19.000 0.091 0.000 0.779 95 A HN 0.529 nan 8.150 nan 0.000 0.483 96 A N -1.259 121.584 122.820 0.040 0.000 2.382 96 A HA 0.429 4.748 4.320 -0.000 0.000 0.228 96 A C 1.143 178.739 177.584 0.020 0.000 1.217 96 A CA 0.554 52.602 52.037 0.018 0.000 0.923 96 A CB -0.122 18.893 19.000 0.026 0.000 0.979 96 A HN 0.373 nan 8.150 nan 0.000 0.515 97 S N -0.210 115.508 115.700 0.031 0.000 2.523 97 S HA 0.297 4.767 4.470 -0.000 0.000 0.275 97 S C 1.167 175.782 174.600 0.025 0.000 1.281 97 S CA -0.495 57.722 58.200 0.028 0.000 1.050 97 S CB 0.541 63.761 63.200 0.034 0.000 0.937 97 S HN 0.500 nan 8.310 nan 0.000 0.492 98 R N 1.658 122.170 120.500 0.020 0.000 2.090 98 R HA -0.017 4.322 4.340 -0.000 0.000 0.228 98 R C 1.641 177.954 176.300 0.022 0.000 1.110 98 R CA 1.663 57.774 56.100 0.019 0.000 0.973 98 R CB -0.400 29.908 30.300 0.014 0.000 0.869 98 R HN 0.773 nan 8.270 nan 0.000 0.440 99 T N -1.396 113.171 114.554 0.022 0.000 3.188 99 T HA 0.215 4.565 4.350 -0.000 0.000 0.250 99 T C 1.054 175.770 174.700 0.027 0.000 1.077 99 T CA 0.075 62.189 62.100 0.022 0.000 0.967 99 T CB 0.243 69.123 68.868 0.019 0.000 1.006 99 T HN 0.091 nan 8.240 nan 0.000 0.552 100 K N 0.854 121.273 120.400 0.032 0.000 2.402 100 K HA 0.208 4.527 4.320 -0.000 0.000 0.204 100 K C 2.055 178.682 176.600 0.045 0.000 1.056 100 K CA 0.232 56.542 56.287 0.039 0.000 1.069 100 K CB 0.566 33.091 32.500 0.043 0.000 0.888 100 K HN 0.277 nan 8.250 nan 0.000 0.546 101 V N -0.168 119.771 119.914 0.043 0.000 2.313 101 V HA -0.358 3.762 4.120 -0.000 0.000 0.253 101 V C 2.053 178.179 176.094 0.053 0.000 1.070 101 V CA 2.297 64.627 62.300 0.049 0.000 1.057 101 V CB -0.596 31.253 31.823 0.044 0.000 0.653 101 V HN 0.354 nan 8.190 nan 0.000 0.450 102 E N 0.375 120.601 120.200 0.044 0.000 2.046 102 E HA -0.242 4.108 4.350 -0.000 0.000 0.190 102 E C 2.015 178.646 176.600 0.051 0.000 0.982 102 E CA 1.346 57.771 56.400 0.042 0.000 0.800 102 E CB -0.245 29.474 29.700 0.031 0.000 0.756 102 E HN 0.678 nan 8.360 nan 0.000 0.449 103 D N -0.132 120.299 120.400 0.052 0.000 2.265 103 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 103 D C 1.648 177.998 176.300 0.083 0.000 0.977 103 D CA 1.202 55.238 54.000 0.060 0.000 0.871 103 D CB -0.001 40.831 40.800 0.052 0.000 0.925 103 D HN 0.240 nan 8.370 nan 0.000 0.485 104 T N 0.423 115.029 114.554 0.088 0.000 2.942 104 T HA -0.086 4.264 4.350 -0.000 0.000 0.265 104 T C 1.916 176.678 174.700 0.105 0.000 1.062 104 T CA 0.607 62.773 62.100 0.111 0.000 1.139 104 T CB 0.280 69.210 68.868 0.104 0.000 0.883 104 T HN 0.130 nan 8.240 nan 0.000 0.468 105 R N 1.783 122.334 120.500 0.085 0.000 2.062 105 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 105 R C 1.817 178.161 176.300 0.073 0.000 1.136 105 R CA 1.917 58.063 56.100 0.076 0.000 0.948 105 R CB -0.421 29.916 30.300 0.061 0.000 0.845 105 R HN 0.207 nan 8.270 nan 0.000 0.430 106 D N 0.431 120.873 120.400 0.071 0.000 2.144 106 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 106 D C 2.057 178.413 176.300 0.094 0.000 0.978 106 D CA 1.216 55.258 54.000 0.070 0.000 0.833 106 D CB -0.072 40.762 40.800 0.058 0.000 0.961 106 D HN 0.303 nan 8.370 nan 0.000 0.470 107 L N 0.405 121.701 121.223 0.122 0.000 2.093 107 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 107 L C 2.446 179.446 176.870 0.217 0.000 1.085 107 L CA 0.627 55.580 54.840 0.189 0.000 0.755 107 L CB -0.197 42.001 42.059 0.232 0.000 0.904 107 L HN -0.007 nan 8.230 nan 0.000 0.435 108 L N -0.960 120.351 121.223 0.148 0.000 2.418 108 L HA -0.070 4.270 4.340 -0.000 0.000 0.218 108 L C 1.436 178.330 176.870 0.039 0.000 1.125 108 L CA 0.471 55.348 54.840 0.062 0.000 0.835 108 L CB -0.222 41.860 42.059 0.038 0.000 0.953 108 L HN 0.259 nan 8.230 nan 0.000 0.454 109 D N -0.647 119.791 120.400 0.065 0.000 2.392 109 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 109 D C 0.607 176.955 176.300 0.081 0.000 1.046 109 D CA 0.431 54.469 54.000 0.062 0.000 0.865 109 D CB 0.315 41.150 40.800 0.059 0.000 0.969 109 D HN 0.242 nan 8.370 nan 0.000 0.509 110 N N 1.000 119.754 118.700 0.090 0.000 2.535 110 N HA 0.081 4.821 4.740 -0.000 0.000 0.294 110 N C -0.344 175.229 175.510 0.105 0.000 1.408 110 N CA -0.059 53.053 53.050 0.103 0.000 0.927 110 N CB 1.830 40.371 38.487 0.089 0.000 1.276 110 N HN -0.111 nan 8.380 nan 0.000 0.505 111 V N 1.736 121.688 119.914 0.063 0.000 2.441 111 V HA -0.108 4.012 4.120 -0.000 0.000 0.279 111 V C 0.982 177.029 176.094 -0.078 0.000 0.990 111 V CA 0.383 62.669 62.300 -0.023 0.000 1.116 111 V CB -0.325 31.358 31.823 -0.232 0.000 0.977 111 V HN 0.239 nan 8.190 nan 0.000 0.470 112 Q N 4.295 124.103 119.800 0.013 0.000 2.286 112 Q HA 0.112 4.452 4.340 -0.000 0.000 0.265 112 Q C -0.506 175.440 176.000 -0.090 0.000 1.080 112 Q CA -0.052 55.766 55.803 0.025 0.000 0.906 112 Q CB 0.313 29.055 28.738 0.007 0.000 1.227 112 Q HN 0.725 nan 8.270 nan 0.000 0.409 113 Y N 1.654 121.929 120.300 -0.041 0.000 3.103 113 Y HA 0.237 4.787 4.550 -0.000 0.000 0.389 113 Y C 0.396 175.964 175.900 -0.553 0.000 1.082 113 Y CA -0.236 57.735 58.100 -0.216 0.000 1.987 113 Y CB 0.091 38.637 38.460 0.144 0.000 2.096 113 Y HN 0.532 nan 8.280 nan 0.000 0.423 114 A N 0.466 123.003 122.820 -0.472 0.000 2.330 114 A HA 0.385 4.705 4.320 -0.000 0.000 0.303 114 A C -2.992 174.466 177.584 -0.211 0.000 1.150 114 A CA -1.333 50.519 52.037 -0.308 0.000 0.921 114 A CB 0.154 19.078 19.000 -0.126 0.000 1.462 114 A HN 0.070 nan 8.150 nan 0.000 0.388 115 P HA 0.249 nan 4.420 nan 0.000 0.262 115 P C 1.239 178.472 177.300 -0.112 0.000 1.182 115 P CA 0.849 63.882 63.100 -0.113 0.000 0.761 115 P CB 1.108 32.777 31.700 -0.052 0.000 0.795 116 A N 3.873 126.614 122.820 -0.132 0.000 1.873 116 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 116 A C 2.085 179.593 177.584 -0.127 0.000 1.186 116 A CA 1.815 53.774 52.037 -0.130 0.000 0.616 116 A CB -0.440 18.468 19.000 -0.153 0.000 0.823 116 A HN 0.463 nan 8.150 nan 0.000 0.442 117 R N -1.348 119.050 120.500 -0.169 0.000 2.207 117 R HA 0.301 4.641 4.340 -0.000 0.000 0.184 117 R C 1.384 177.695 176.300 0.017 0.000 1.280 117 R CA 0.810 56.845 56.100 -0.108 0.000 1.166 117 R CB -0.789 29.385 30.300 -0.210 0.000 1.116 117 R HN 0.375 nan 8.270 nan 0.000 0.494 118 G N 0.531 109.410 108.800 0.131 0.000 2.699 118 G HA2 0.065 4.025 3.960 -0.000 0.000 0.246 118 G HA3 0.065 4.025 3.960 -0.000 0.000 0.246 118 G C -0.014 174.932 174.900 0.076 0.000 1.219 118 G CA -0.303 44.961 45.100 0.275 0.000 0.866 118 G HN 0.350 nan 8.290 nan 0.000 0.572 119 R N -0.527 119.972 120.500 -0.002 0.000 2.073 119 R HA 0.019 4.358 4.340 -0.000 0.000 0.229 119 R C 0.031 176.136 176.300 -0.325 0.000 1.120 119 R CA 0.768 56.724 56.100 -0.240 0.000 0.967 119 R CB -0.091 29.949 30.300 -0.433 0.000 0.862 119 R HN 0.403 nan 8.270 nan 0.000 0.436 120 F N 0.682 120.698 119.950 0.111 0.000 2.470 120 F HA 0.328 4.855 4.527 -0.000 0.000 0.329 120 F C 0.424 176.294 175.800 0.116 0.000 1.072 120 F CA -0.997 57.075 58.000 0.120 0.000 0.989 120 F CB 1.233 40.296 39.000 0.105 0.000 1.193 120 F HN -0.346 nan 8.300 nan 0.000 0.481 121 K N 2.441 123.025 120.400 0.306 0.000 2.360 121 K HA 0.463 4.783 4.320 -0.000 0.000 0.235 121 K C -1.333 175.354 176.600 0.145 0.000 1.077 121 K CA -0.244 56.142 56.287 0.164 0.000 1.035 121 K CB 0.261 32.843 32.500 0.137 0.000 1.623 121 K HN 0.485 nan 8.250 nan 0.000 0.462 122 V N 4.110 124.100 119.914 0.127 0.000 2.637 122 V HA 0.007 4.127 4.120 -0.000 0.000 0.296 122 V C -0.375 175.725 176.094 0.011 0.000 1.046 122 V CA 0.046 62.411 62.300 0.109 0.000 1.066 122 V CB 0.135 32.031 31.823 0.122 0.000 0.968 122 V HN 0.484 nan 8.190 nan 0.000 0.483 123 Y N 4.639 124.957 120.300 0.030 0.000 2.712 123 Y HA 0.443 4.993 4.550 -0.000 0.000 0.328 123 Y C -0.083 175.947 175.900 0.217 0.000 0.995 123 Y CA -0.811 57.366 58.100 0.129 0.000 1.283 123 Y CB 1.401 39.978 38.460 0.194 0.000 1.092 123 Y HN 0.549 nan 8.280 nan 0.000 0.519 124 L N 5.658 127.028 121.223 0.245 0.000 2.342 124 L HA 0.472 4.812 4.340 -0.000 0.000 0.285 124 L C -0.851 176.151 176.870 0.221 0.000 1.095 124 L CA 0.047 55.023 54.840 0.227 0.000 0.843 124 L CB -0.482 41.669 42.059 0.153 0.000 1.201 124 L HN 0.394 nan 8.230 nan 0.000 0.445 125 I N 4.357 125.072 120.570 0.242 0.000 2.404 125 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 125 I C -0.448 175.772 176.117 0.172 0.000 0.992 125 I CA -0.653 60.766 61.300 0.198 0.000 1.149 125 I CB 1.744 39.860 38.000 0.192 0.000 1.315 125 I HN 0.491 nan 8.210 nan 0.000 0.446 126 D N 6.955 127.443 120.400 0.147 0.000 2.280 126 D HA 0.156 4.796 4.640 -0.000 0.000 0.236 126 D C -0.429 175.963 176.300 0.152 0.000 1.082 126 D CA 0.007 54.091 54.000 0.141 0.000 0.834 126 D CB 1.051 41.920 40.800 0.114 0.000 1.100 126 D HN 0.584 nan 8.370 nan 0.000 0.486 127 E N 1.899 122.211 120.200 0.187 0.000 2.613 127 E HA -0.153 4.197 4.350 -0.000 0.000 0.161 127 E C 1.101 177.863 176.600 0.269 0.000 1.664 127 E CA 0.239 56.812 56.400 0.288 0.000 0.661 127 E CB -0.904 28.967 29.700 0.285 0.000 1.098 127 E HN 0.414 nan 8.360 nan 0.000 0.364 128 V N -0.513 119.559 119.914 0.264 0.000 3.461 128 V HA -0.124 3.996 4.120 -0.000 0.000 0.267 128 V C 1.929 178.211 176.094 0.314 0.000 1.186 128 V CA 1.547 63.976 62.300 0.215 0.000 1.154 128 V CB -0.406 31.489 31.823 0.120 0.000 0.802 128 V HN 0.696 nan 8.190 nan 0.000 0.474 129 H N -0.912 118.247 119.070 0.149 0.000 2.553 129 H HA 0.235 4.791 4.556 -0.000 0.000 0.269 129 H C 1.137 176.505 175.328 0.066 0.000 1.011 129 H CA 0.341 56.470 56.048 0.134 0.000 1.150 129 H CB 0.078 29.890 29.762 0.083 0.000 1.339 129 H HN 0.478 nan 8.280 nan 0.000 0.604 130 M N 0.749 120.233 119.600 -0.192 0.000 2.412 130 M HA 0.294 4.774 4.480 -0.000 0.000 0.315 130 M C -0.252 176.021 176.300 -0.045 0.000 1.092 130 M CA -0.063 55.102 55.300 -0.224 0.000 0.974 130 M CB 0.584 33.026 32.600 -0.262 0.000 1.437 130 M HN 0.047 nan 8.290 nan 0.000 0.524 131 L N 0.767 122.033 121.223 0.071 0.000 2.397 131 L HA 0.262 4.602 4.340 -0.000 0.000 0.271 131 L C 0.708 177.631 176.870 0.089 0.000 1.148 131 L CA -0.581 54.341 54.840 0.137 0.000 0.825 131 L CB 0.820 43.046 42.059 0.278 0.000 1.117 131 L HN 0.324 nan 8.230 nan 0.000 0.456 132 S N 2.313 118.060 115.700 0.077 0.000 2.558 132 S HA 0.050 4.520 4.470 -0.000 0.000 0.288 132 S C 0.985 175.595 174.600 0.017 0.000 1.318 132 S CA -0.467 57.754 58.200 0.035 0.000 1.056 132 S CB 0.602 63.862 63.200 0.099 0.000 0.853 132 S HN 0.605 nan 8.310 nan 0.000 0.505 133 R N 0.660 121.071 120.500 -0.148 0.000 2.303 133 R HA -0.086 4.254 4.340 -0.000 0.000 0.225 133 R C 1.476 177.689 176.300 -0.146 0.000 1.114 133 R CA 1.311 57.289 56.100 -0.203 0.000 1.007 133 R CB -0.367 29.737 30.300 -0.327 0.000 0.861 133 R HN 0.713 nan 8.270 nan 0.000 0.471 134 H N -0.776 118.333 119.070 0.065 0.000 2.431 134 H HA 0.056 4.612 4.556 -0.000 0.000 0.295 134 H C 2.222 177.595 175.328 0.076 0.000 1.038 134 H CA 1.667 57.751 56.048 0.061 0.000 1.360 134 H CB 0.129 29.915 29.762 0.040 0.000 1.433 134 H HN 0.231 nan 8.280 nan 0.000 0.536 135 S N 0.075 115.896 115.700 0.202 0.000 2.501 135 S HA -0.056 4.413 4.470 -0.000 0.000 0.220 135 S C 1.964 176.632 174.600 0.114 0.000 0.997 135 S CA -0.197 58.083 58.200 0.134 0.000 0.919 135 S CB -0.473 62.797 63.200 0.116 0.000 0.778 135 S HN 0.135 nan 8.310 nan 0.000 0.523 136 F N 3.958 123.901 119.950 -0.012 0.000 2.095 136 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 136 F C 2.255 178.028 175.800 -0.045 0.000 1.104 136 F CA 1.740 59.716 58.000 -0.040 0.000 1.232 136 F CB -0.850 38.121 39.000 -0.047 0.000 0.987 136 F HN 0.354 nan 8.300 nan 0.000 0.475 137 N N 0.402 119.187 118.700 0.141 0.000 2.104 137 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 137 N C 1.793 177.288 175.510 -0.025 0.000 1.024 137 N CA 1.782 54.863 53.050 0.052 0.000 0.853 137 N CB -0.497 38.041 38.487 0.084 0.000 1.008 137 N HN 0.302 nan 8.380 nan 0.000 0.424 138 A N 0.214 123.028 122.820 -0.011 0.000 1.902 138 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 138 A C 2.088 179.605 177.584 -0.111 0.000 1.181 138 A CA 1.345 53.364 52.037 -0.031 0.000 0.623 138 A CB -0.917 18.086 19.000 0.004 0.000 0.818 138 A HN 0.422 nan 8.150 nan 0.000 0.443 139 L N -0.396 120.704 121.223 -0.205 0.000 2.456 139 L HA 0.016 4.356 4.340 -0.000 0.000 0.224 139 L C 1.821 178.463 176.870 -0.380 0.000 1.148 139 L CA 1.217 55.831 54.840 -0.377 0.000 0.825 139 L CB -0.308 41.461 42.059 -0.484 0.000 0.937 139 L HN 0.422 nan 8.230 nan 0.000 0.450 140 L N -1.525 119.538 121.223 -0.267 0.000 2.221 140 L HA 0.022 4.362 4.340 -0.000 0.000 0.202 140 L C 1.962 178.760 176.870 -0.120 0.000 1.074 140 L CA 0.415 55.131 54.840 -0.208 0.000 0.795 140 L CB -0.625 41.338 42.059 -0.161 0.000 0.960 140 L HN 0.041 nan 8.230 nan 0.000 0.458 141 K N 0.018 120.370 120.400 -0.080 0.000 2.589 141 K HA 0.045 4.365 4.320 -0.000 0.000 0.192 141 K C 0.830 177.418 176.600 -0.019 0.000 1.029 141 K CA 0.709 56.976 56.287 -0.034 0.000 1.031 141 K CB -0.035 32.461 32.500 -0.008 0.000 0.821 141 K HN 0.275 nan 8.250 nan 0.000 0.502 142 T N 0.038 114.566 114.554 -0.044 0.000 3.016 142 T HA 0.198 4.548 4.350 -0.000 0.000 0.271 142 T C 1.471 176.188 174.700 0.028 0.000 0.968 142 T CA -0.267 61.838 62.100 0.009 0.000 0.891 142 T CB 0.403 69.299 68.868 0.046 0.000 1.149 142 T HN 0.048 nan 8.240 nan 0.000 0.524 143 L N 0.473 121.658 121.223 -0.063 0.000 2.145 143 L HA 0.215 4.555 4.340 -0.000 0.000 0.201 143 L C 2.473 179.314 176.870 -0.049 0.000 1.075 143 L CA 1.042 55.847 54.840 -0.057 0.000 0.773 143 L CB 0.048 42.003 42.059 -0.173 0.000 0.936 143 L HN 0.086 nan 8.230 nan 0.000 0.451 144 E N -0.031 120.132 120.200 -0.062 0.000 2.216 144 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 144 E C 0.741 177.301 176.600 -0.066 0.000 0.988 144 E CA 0.679 57.047 56.400 -0.053 0.000 0.834 144 E CB 0.379 30.053 29.700 -0.045 0.000 0.772 144 E HN 0.113 nan 8.360 nan 0.000 0.479 145 E N 0.661 120.821 120.200 -0.067 0.000 3.898 145 E HA 0.155 4.505 4.350 -0.000 0.000 0.219 145 E C -2.556 173.995 176.600 -0.080 0.000 1.207 145 E CA -1.532 54.824 56.400 -0.072 0.000 1.240 145 E CB 1.039 30.720 29.700 -0.031 0.000 1.239 145 E HN 0.156 nan 8.360 nan 0.000 0.422 146 P HA 0.343 nan 4.420 nan 0.000 0.286 146 P C -2.440 174.709 177.300 -0.252 0.000 1.261 146 P CA -1.275 61.718 63.100 -0.179 0.000 0.821 146 P CB 1.157 32.744 31.700 -0.188 0.000 1.013 147 P HA 0.131 nan 4.420 nan 0.000 0.274 147 P C 0.457 177.571 177.300 -0.310 0.000 1.260 147 P CA 0.002 62.927 63.100 -0.293 0.000 0.793 147 P CB 0.947 32.307 31.700 -0.566 0.000 1.048 148 E N -0.749 119.306 120.200 -0.241 0.000 2.358 148 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 148 E C 1.562 178.225 176.600 0.105 0.000 1.010 148 E CA 1.028 57.440 56.400 0.019 0.000 0.856 148 E CB -0.519 29.229 29.700 0.079 0.000 0.795 148 E HN 0.643 nan 8.360 nan 0.000 0.504 149 H N -1.546 117.639 119.070 0.191 0.000 2.476 149 H HA 0.192 4.748 4.556 -0.000 0.000 0.292 149 H C 0.608 176.082 175.328 0.244 0.000 1.019 149 H CA -0.199 55.970 56.048 0.202 0.000 1.330 149 H CB -0.383 29.431 29.762 0.087 0.000 1.451 149 H HN -0.154 nan 8.280 nan 0.000 0.535 150 V N 3.087 123.072 119.914 0.118 0.000 2.508 150 V HA 0.189 4.309 4.120 -0.000 0.000 0.281 150 V C -0.153 175.912 176.094 -0.049 0.000 1.041 150 V CA -0.336 61.996 62.300 0.054 0.000 1.016 150 V CB 0.740 32.472 31.823 -0.152 0.000 0.984 150 V HN 0.328 nan 8.190 nan 0.000 0.478 151 K N 4.575 124.934 120.400 -0.069 0.000 2.371 151 K HA 0.594 4.914 4.320 -0.000 0.000 0.251 151 K C -1.133 175.382 176.600 -0.141 0.000 0.934 151 K CA -0.497 55.763 56.287 -0.045 0.000 0.798 151 K CB 2.297 34.809 32.500 0.019 0.000 1.204 151 K HN 0.359 nan 8.250 nan 0.000 0.427 152 F N 1.310 121.373 119.950 0.188 0.000 2.470 152 F HA 0.475 5.002 4.527 -0.000 0.000 0.329 152 F C 0.635 176.562 175.800 0.213 0.000 1.072 152 F CA -0.878 57.231 58.000 0.183 0.000 0.989 152 F CB 1.132 40.178 39.000 0.077 0.000 1.193 152 F HN 0.143 nan 8.300 nan 0.000 0.481 153 L N 4.513 125.993 121.223 0.429 0.000 2.551 153 L HA 0.341 4.681 4.340 -0.000 0.000 0.248 153 L C -0.780 176.279 176.870 0.314 0.000 1.509 153 L CA -0.181 54.871 54.840 0.353 0.000 0.842 153 L CB 0.206 42.469 42.059 0.341 0.000 1.087 153 L HN 0.450 nan 8.230 nan 0.000 0.512 154 L N 1.451 122.808 121.223 0.224 0.000 2.476 154 L HA 0.565 4.905 4.340 -0.000 0.000 0.264 154 L C 0.629 177.625 176.870 0.211 0.000 1.224 154 L CA -0.007 54.936 54.840 0.170 0.000 0.821 154 L CB 0.653 42.754 42.059 0.070 0.000 1.101 154 L HN 0.516 nan 8.230 nan 0.000 0.488 155 A N 0.880 123.815 122.820 0.191 0.000 2.539 155 A HA 0.866 5.186 4.320 -0.000 0.000 0.296 155 A C -0.765 176.904 177.584 0.143 0.000 1.073 155 A CA -0.411 51.748 52.037 0.202 0.000 0.700 155 A CB 2.058 21.177 19.000 0.198 0.000 1.296 155 A HN 0.615 nan 8.150 nan 0.000 0.405 156 T N 0.450 115.064 114.554 0.100 0.000 2.942 156 T HA 0.440 4.790 4.350 -0.000 0.000 0.327 156 T C 0.388 175.066 174.700 -0.036 0.000 1.360 156 T CA 0.009 62.116 62.100 0.012 0.000 1.055 156 T CB 1.748 70.579 68.868 -0.062 0.000 1.261 156 T HN 0.558 nan 8.240 nan 0.000 0.485 157 T N 0.608 115.092 114.554 -0.116 0.000 3.040 157 T HA 0.173 4.523 4.350 -0.000 0.000 0.252 157 T C -0.035 174.591 174.700 -0.124 0.000 1.064 157 T CA 0.470 62.534 62.100 -0.060 0.000 1.110 157 T CB 0.040 68.933 68.868 0.042 0.000 0.921 157 T HN 0.483 nan 8.240 nan 0.000 0.480 158 D N 0.782 120.975 120.400 -0.344 0.000 2.375 158 D HA 0.333 4.973 4.640 -0.000 0.000 0.259 158 D C -2.196 173.960 176.300 -0.241 0.000 1.235 158 D CA -1.792 52.068 54.000 -0.234 0.000 0.924 158 D CB 1.881 42.587 40.800 -0.157 0.000 1.143 158 D HN -0.099 nan 8.370 nan 0.000 0.529 159 P HA -0.094 nan 4.420 nan 0.000 0.231 159 P C 0.861 178.146 177.300 -0.025 0.000 1.158 159 P CA 0.884 63.954 63.100 -0.051 0.000 0.763 159 P CB 0.313 32.014 31.700 0.001 0.000 0.805 160 Q N -0.660 119.126 119.800 -0.024 0.000 2.302 160 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 160 Q C 1.524 177.535 176.000 0.019 0.000 0.936 160 Q CA 0.700 56.502 55.803 -0.001 0.000 0.886 160 Q CB -0.088 28.650 28.738 -0.000 0.000 0.986 160 Q HN 0.348 nan 8.270 nan 0.000 0.487 161 K N 0.524 120.943 120.400 0.032 0.000 2.525 161 K HA 0.088 4.407 4.320 -0.000 0.000 0.192 161 K C 0.141 176.805 176.600 0.107 0.000 1.029 161 K CA 0.242 56.581 56.287 0.086 0.000 1.029 161 K CB 0.198 32.826 32.500 0.214 0.000 0.814 161 K HN 0.134 nan 8.250 nan 0.000 0.503 162 L N 3.643 124.926 121.223 0.100 0.000 2.257 162 L HA 0.232 4.572 4.340 -0.000 0.000 0.290 162 L C -1.994 174.947 176.870 0.118 0.000 1.044 162 L CA -2.250 52.684 54.840 0.156 0.000 0.810 162 L CB 0.750 42.878 42.059 0.115 0.000 1.193 162 L HN -0.076 nan 8.230 nan 0.000 0.425 163 P HA -0.059 nan 4.420 nan 0.000 0.266 163 P C 0.994 178.334 177.300 0.067 0.000 1.193 163 P CA -0.169 62.995 63.100 0.107 0.000 0.770 163 P CB 1.089 32.888 31.700 0.164 0.000 0.836 164 V N 1.937 121.871 119.914 0.034 0.000 2.688 164 V HA -0.234 3.886 4.120 -0.000 0.000 0.256 164 V C 2.648 178.744 176.094 0.003 0.000 1.084 164 V CA 2.599 64.906 62.300 0.010 0.000 1.103 164 V CB -2.133 29.691 31.823 0.002 0.000 0.688 164 V HN 0.739 nan 8.190 nan 0.000 0.480 165 T N -1.853 112.711 114.554 0.017 0.000 2.881 165 T HA -0.085 4.265 4.350 -0.000 0.000 0.270 165 T C 1.744 176.427 174.700 -0.029 0.000 1.068 165 T CA 1.528 63.629 62.100 0.001 0.000 1.131 165 T CB -0.251 68.629 68.868 0.019 0.000 0.871 165 T HN 0.453 nan 8.240 nan 0.000 0.479 166 I N 0.117 120.670 120.570 -0.028 0.000 2.628 166 I HA 0.144 4.314 4.170 -0.000 0.000 0.255 166 I C 2.325 178.398 176.117 -0.073 0.000 1.119 166 I CA 0.347 61.598 61.300 -0.082 0.000 1.448 166 I CB -0.069 37.862 38.000 -0.115 0.000 1.133 166 I HN 0.160 nan 8.210 nan 0.000 0.438 167 L N 0.689 121.886 121.223 -0.044 0.000 2.079 167 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 167 L C 2.572 179.398 176.870 -0.072 0.000 1.081 167 L CA 1.736 56.543 54.840 -0.055 0.000 0.752 167 L CB -0.763 41.275 42.059 -0.036 0.000 0.896 167 L HN 0.351 nan 8.230 nan 0.000 0.433 168 S N -0.562 115.102 115.700 -0.059 0.000 2.561 168 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 168 S C 1.752 176.316 174.600 -0.061 0.000 0.977 168 S CA 0.211 58.376 58.200 -0.059 0.000 0.926 168 S CB -0.155 63.020 63.200 -0.042 0.000 0.769 168 S HN 0.454 nan 8.310 nan 0.000 0.533 169 R N -0.379 120.080 120.500 -0.069 0.000 2.334 169 R HA 0.335 4.675 4.340 -0.000 0.000 0.212 169 R C -0.151 176.104 176.300 -0.075 0.000 0.897 169 R CA 0.036 56.100 56.100 -0.060 0.000 1.056 169 R CB 0.173 30.433 30.300 -0.067 0.000 1.046 169 R HN 0.386 nan 8.270 nan 0.000 0.513 170 C N 0.400 119.630 119.300 -0.117 0.000 2.562 170 C HA 0.428 4.888 4.460 -0.000 0.000 0.332 170 C C -0.172 174.661 174.990 -0.261 0.000 1.201 170 C CA -1.181 57.730 59.018 -0.178 0.000 1.803 170 C CB 1.352 28.998 27.740 -0.156 0.000 2.328 170 C HN 0.220 nan 8.230 nan 0.000 0.500 171 L N 2.469 123.444 121.223 -0.413 0.000 2.397 171 L HA 0.280 4.620 4.340 -0.000 0.000 0.263 171 L C 0.347 176.881 176.870 -0.561 0.000 1.136 171 L CA 0.558 55.069 54.840 -0.547 0.000 1.019 171 L CB -0.649 40.940 42.059 -0.783 0.000 1.352 171 L HN 0.715 nan 8.230 nan 0.000 0.420 172 Q N 2.947 122.486 119.800 -0.434 0.000 2.333 172 Q HA 0.149 4.489 4.340 -0.000 0.000 0.299 172 Q C -1.245 174.473 176.000 -0.469 0.000 1.067 172 Q CA 1.239 56.848 55.803 -0.324 0.000 0.943 172 Q CB 0.538 29.165 28.738 -0.186 0.000 1.233 172 Q HN 0.460 nan 8.270 nan 0.000 0.401 173 F N 1.189 121.151 119.950 0.019 0.000 2.831 173 F HA 0.132 4.659 4.527 -0.000 0.000 0.346 173 F C -0.278 175.643 175.800 0.202 0.000 1.224 173 F CA -0.710 57.371 58.000 0.136 0.000 1.048 173 F CB 1.107 40.251 39.000 0.240 0.000 1.339 173 F HN 0.532 nan 8.300 nan 0.000 0.514 174 H N 5.046 124.278 119.070 0.270 0.000 2.548 174 H HA 0.527 5.083 4.556 -0.000 0.000 0.331 174 H C -1.194 174.228 175.328 0.158 0.000 1.093 174 H CA -0.144 56.009 56.048 0.174 0.000 1.367 174 H CB 1.178 30.998 29.762 0.097 0.000 1.455 174 H HN 0.614 nan 8.280 nan 0.000 0.519 175 L N 6.193 127.128 121.223 -0.480 0.000 2.295 175 L HA 0.327 4.667 4.340 -0.000 0.000 0.281 175 L C 0.442 177.060 176.870 -0.420 0.000 1.018 175 L CA -0.714 53.945 54.840 -0.301 0.000 0.841 175 L CB 1.330 43.284 42.059 -0.175 0.000 1.218 175 L HN 0.460 nan 8.230 nan 0.000 0.424 176 K N 1.819 122.136 120.400 -0.139 0.000 2.276 176 K HA 0.436 4.756 4.320 -0.000 0.000 0.259 176 K C 0.307 176.896 176.600 -0.019 0.000 1.001 176 K CA -0.416 55.888 56.287 0.029 0.000 0.927 176 K CB 0.922 33.505 32.500 0.138 0.000 0.969 176 K HN 0.652 nan 8.250 nan 0.000 0.490 177 A N 3.029 125.858 122.820 0.015 0.000 2.409 177 A HA 0.184 4.504 4.320 -0.000 0.000 0.267 177 A C 0.311 177.892 177.584 -0.005 0.000 1.127 177 A CA -0.450 51.586 52.037 -0.002 0.000 0.795 177 A CB -0.179 18.828 19.000 0.013 0.000 1.061 177 A HN 0.631 nan 8.150 nan 0.000 0.502 178 L N 1.334 122.545 121.223 -0.020 0.000 2.473 178 L HA 0.011 4.350 4.340 -0.000 0.000 0.280 178 L C 0.845 177.706 176.870 -0.015 0.000 1.266 178 L CA 0.070 54.895 54.840 -0.024 0.000 0.824 178 L CB 0.124 42.163 42.059 -0.034 0.000 1.091 178 L HN 0.875 nan 8.230 nan 0.000 0.534 179 D N -0.788 119.601 120.400 -0.018 0.000 2.388 179 D HA 0.231 4.871 4.640 -0.000 0.000 0.254 179 D C 0.652 176.946 176.300 -0.010 0.000 1.111 179 D CA -0.561 53.432 54.000 -0.012 0.000 0.993 179 D CB 1.508 42.299 40.800 -0.015 0.000 1.118 179 D HN 0.169 nan 8.370 nan 0.000 0.502 180 V N 0.755 120.667 119.914 -0.004 0.000 2.273 180 V HA -0.068 4.052 4.120 -0.000 0.000 0.242 180 V C 1.951 178.048 176.094 0.004 0.000 1.035 180 V CA 1.211 63.510 62.300 -0.001 0.000 1.013 180 V CB -0.631 31.194 31.823 0.003 0.000 0.652 180 V HN 0.640 nan 8.190 nan 0.000 0.452 181 E N -0.284 119.923 120.200 0.011 0.000 2.511 181 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 181 E C 1.988 178.610 176.600 0.037 0.000 1.066 181 E CA 0.388 56.805 56.400 0.028 0.000 0.871 181 E CB 0.249 29.969 29.700 0.033 0.000 0.863 181 E HN 0.639 nan 8.360 nan 0.000 0.520 182 Q N -0.297 119.505 119.800 0.004 0.000 2.204 182 Q HA 0.050 4.390 4.340 -0.000 0.000 0.198 182 Q C 2.085 178.080 176.000 -0.008 0.000 0.946 182 Q CA 0.328 56.117 55.803 -0.022 0.000 0.859 182 Q CB 0.347 29.058 28.738 -0.045 0.000 0.946 182 Q HN 0.261 nan 8.270 nan 0.000 0.474 183 I N 0.401 120.965 120.570 -0.010 0.000 2.277 183 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 183 I C 2.636 178.743 176.117 -0.016 0.000 1.094 183 I CA 0.610 61.898 61.300 -0.021 0.000 1.393 183 I CB -0.278 37.708 38.000 -0.023 0.000 1.078 183 I HN 0.165 nan 8.210 nan 0.000 0.417 184 R N 0.538 121.036 120.500 -0.003 0.000 2.120 184 R HA -0.244 4.096 4.340 -0.000 0.000 0.234 184 R C 2.261 178.552 176.300 -0.016 0.000 1.123 184 R CA 1.682 57.772 56.100 -0.017 0.000 0.975 184 R CB -0.708 29.590 30.300 -0.003 0.000 0.866 184 R HN 0.443 nan 8.270 nan 0.000 0.446 185 H N 0.019 119.052 119.070 -0.063 0.000 2.502 185 H HA -0.047 4.509 4.556 -0.000 0.000 0.283 185 H C 1.597 176.876 175.328 -0.081 0.000 1.015 185 H CA 1.479 57.490 56.048 -0.062 0.000 1.298 185 H CB 0.456 30.185 29.762 -0.056 0.000 1.411 185 H HN 0.216 nan 8.280 nan 0.000 0.556 186 Q N 0.527 120.367 119.800 0.066 0.000 2.163 186 Q HA 0.037 4.377 4.340 -0.000 0.000 0.198 186 Q C 2.498 178.445 176.000 -0.089 0.000 0.954 186 Q CA 0.759 56.550 55.803 -0.020 0.000 0.851 186 Q CB -0.253 28.442 28.738 -0.071 0.000 0.928 186 Q HN 0.455 nan 8.270 nan 0.000 0.459 187 L N 0.392 121.547 121.223 -0.115 0.000 2.093 187 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 187 L C 2.427 179.146 176.870 -0.250 0.000 1.085 187 L CA 1.645 56.383 54.840 -0.170 0.000 0.755 187 L CB -0.364 41.610 42.059 -0.143 0.000 0.904 187 L HN 0.414 nan 8.230 nan 0.000 0.435 188 E N -0.534 119.509 120.200 -0.261 0.000 2.072 188 E HA -0.293 4.057 4.350 -0.000 0.000 0.191 188 E C 2.226 178.678 176.600 -0.248 0.000 0.985 188 E CA 1.037 57.222 56.400 -0.359 0.000 0.801 188 E CB -0.080 29.450 29.700 -0.284 0.000 0.750 188 E HN 0.503 nan 8.360 nan 0.000 0.452 189 H N 0.681 119.586 119.070 -0.275 0.000 2.421 189 H HA -0.096 4.460 4.556 -0.000 0.000 0.298 189 H C 1.964 177.108 175.328 -0.306 0.000 1.087 189 H CA 1.585 57.488 56.048 -0.242 0.000 1.330 189 H CB -0.001 29.639 29.762 -0.203 0.000 1.388 189 H HN 0.273 nan 8.280 nan 0.000 0.526 190 I N 0.503 120.787 120.570 -0.477 0.000 2.333 190 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 190 I C 2.553 178.488 176.117 -0.303 0.000 1.106 190 I CA 0.445 61.384 61.300 -0.602 0.000 1.411 190 I CB -0.097 37.532 38.000 -0.618 0.000 1.082 190 I HN 0.169 nan 8.210 nan 0.000 0.420 191 L N 0.709 121.786 121.223 -0.243 0.000 2.275 191 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 191 L C 1.887 178.717 176.870 -0.066 0.000 1.119 191 L CA 0.876 55.638 54.840 -0.130 0.000 0.790 191 L CB -0.539 41.404 42.059 -0.192 0.000 0.919 191 L HN 0.347 nan 8.230 nan 0.000 0.443 192 N N -0.492 118.135 118.700 -0.122 0.000 2.424 192 N HA -0.093 4.647 4.740 -0.000 0.000 0.178 192 N C 1.469 176.866 175.510 -0.187 0.000 1.060 192 N CA 0.666 53.676 53.050 -0.066 0.000 0.901 192 N CB 0.256 38.720 38.487 -0.039 0.000 0.979 192 N HN 0.395 nan 8.380 nan 0.000 0.451 193 E N 0.335 120.364 120.200 -0.285 0.000 2.447 193 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 193 E C 0.456 176.820 176.600 -0.395 0.000 1.028 193 E CA 0.340 56.554 56.400 -0.311 0.000 0.876 193 E CB 0.422 29.983 29.700 -0.232 0.000 0.885 193 E HN 0.210 nan 8.360 nan 0.000 0.500 194 E N -0.095 119.939 120.200 -0.276 0.000 2.476 194 E HA 0.010 4.359 4.350 -0.000 0.000 0.199 194 E C -0.559 175.958 176.600 -0.139 0.000 1.021 194 E CA 0.075 56.378 56.400 -0.162 0.000 0.907 194 E CB 0.335 30.055 29.700 0.034 0.000 0.974 194 E HN 0.240 nan 8.360 nan 0.000 0.489 195 H N -0.474 118.623 119.070 0.046 0.000 2.827 195 H HA -0.153 4.403 4.556 -0.000 0.000 0.330 195 H C -0.256 175.098 175.328 0.043 0.000 1.236 195 H CA 0.635 56.705 56.048 0.037 0.000 1.165 195 H CB -2.460 27.319 29.762 0.028 0.000 1.532 195 H HN 0.172 nan 8.280 nan 0.000 0.434 196 I N -0.044 120.600 120.570 0.123 0.000 2.466 196 I HA 0.531 4.701 4.170 -0.000 0.000 0.289 196 I C 0.969 177.169 176.117 0.139 0.000 1.026 196 I CA -0.731 60.635 61.300 0.111 0.000 1.078 196 I CB 1.945 39.998 38.000 0.088 0.000 1.249 196 I HN 0.388 nan 8.210 nan 0.000 0.429 197 A N 6.452 129.321 122.820 0.083 0.000 2.448 197 A HA 0.409 4.729 4.320 -0.000 0.000 0.239 197 A C -0.203 177.438 177.584 0.095 0.000 1.080 197 A CA 0.439 52.491 52.037 0.025 0.000 0.779 197 A CB 0.097 19.094 19.000 -0.006 0.000 1.026 197 A HN 0.957 nan 8.150 nan 0.000 0.499 198 H N -0.814 118.251 119.070 -0.007 0.000 3.081 198 H HA 0.435 4.991 4.556 -0.000 0.000 0.322 198 H C -1.447 173.873 175.328 -0.014 0.000 1.266 198 H CA -0.545 55.495 56.048 -0.012 0.000 1.279 198 H CB 0.649 30.398 29.762 -0.021 0.000 1.954 198 H HN 0.689 nan 8.280 nan 0.000 0.530 199 E N 3.668 123.926 120.200 0.097 0.000 2.156 199 E HA 0.224 4.574 4.350 -0.000 0.000 0.279 199 E C -1.767 174.905 176.600 0.120 0.000 0.965 199 E CA -2.538 53.890 56.400 0.046 0.000 0.789 199 E CB 1.717 31.431 29.700 0.023 0.000 1.098 199 E HN 0.370 nan 8.360 nan 0.000 0.397 200 P HA -0.194 nan 4.420 nan 0.000 0.222 200 P C 0.854 178.186 177.300 0.053 0.000 1.142 200 P CA 0.829 63.989 63.100 0.099 0.000 0.788 200 P CB 0.259 31.997 31.700 0.063 0.000 0.767 201 R N -0.553 119.971 120.500 0.041 0.000 2.317 201 R HA 0.239 4.579 4.340 -0.000 0.000 0.208 201 R C 1.728 178.043 176.300 0.026 0.000 0.914 201 R CA 0.571 56.688 56.100 0.028 0.000 1.060 201 R CB -0.202 30.111 30.300 0.022 0.000 1.015 201 R HN 0.093 nan 8.270 nan 0.000 0.498 202 A N 0.205 123.046 122.820 0.035 0.000 1.901 202 A HA 0.096 4.416 4.320 -0.000 0.000 0.210 202 A C 1.958 179.551 177.584 0.015 0.000 1.208 202 A CA 0.126 52.179 52.037 0.028 0.000 0.644 202 A CB -0.208 18.817 19.000 0.042 0.000 0.863 202 A HN 0.235 nan 8.150 nan 0.000 0.454 203 L N -0.314 120.918 121.223 0.015 0.000 2.353 203 L HA -0.157 4.183 4.340 -0.000 0.000 0.220 203 L C 2.573 179.433 176.870 -0.016 0.000 1.133 203 L CA 1.186 56.012 54.840 -0.024 0.000 0.798 203 L CB -0.193 41.827 42.059 -0.066 0.000 0.922 203 L HN 0.444 nan 8.230 nan 0.000 0.445 204 Q N 0.184 119.985 119.800 0.002 0.000 2.331 204 Q HA -0.039 4.301 4.340 -0.000 0.000 0.203 204 Q C 2.020 178.022 176.000 0.004 0.000 0.944 204 Q CA 1.054 56.861 55.803 0.005 0.000 0.892 204 Q CB 0.096 28.843 28.738 0.015 0.000 0.983 204 Q HN 0.494 nan 8.270 nan 0.000 0.482 205 L N -0.774 120.451 121.223 0.003 0.000 2.209 205 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 205 L C 1.886 178.754 176.870 -0.004 0.000 1.094 205 L CA 0.597 55.438 54.840 0.002 0.000 0.790 205 L CB -0.347 41.713 42.059 0.002 0.000 0.932 205 L HN 0.181 nan 8.230 nan 0.000 0.447 206 L N -0.139 121.079 121.223 -0.009 0.000 2.240 206 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 206 L C 2.793 179.654 176.870 -0.015 0.000 1.106 206 L CA 0.672 55.504 54.840 -0.014 0.000 0.793 206 L CB -0.624 41.421 42.059 -0.022 0.000 0.927 206 L HN 0.201 nan 8.230 nan 0.000 0.446 207 A N 0.274 123.085 122.820 -0.014 0.000 1.930 207 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 207 A C 2.426 180.005 177.584 -0.007 0.000 1.176 207 A CA 0.900 52.929 52.037 -0.013 0.000 0.632 207 A CB -0.226 18.768 19.000 -0.010 0.000 0.819 207 A HN 0.261 nan 8.150 nan 0.000 0.445 208 R N -0.505 119.993 120.500 -0.003 0.000 2.057 208 R HA 0.039 4.379 4.340 -0.000 0.000 0.229 208 R C 2.582 178.881 176.300 -0.001 0.000 1.136 208 R CA 1.012 57.112 56.100 -0.000 0.000 0.952 208 R CB -0.594 29.708 30.300 0.003 0.000 0.848 208 R HN 0.456 nan 8.270 nan 0.000 0.430 209 A N 1.921 124.739 122.820 -0.002 0.000 1.893 209 A HA -0.225 4.095 4.320 -0.000 0.000 0.222 209 A C 1.451 179.034 177.584 -0.002 0.000 1.309 209 A CA 2.006 54.041 52.037 -0.003 0.000 0.681 209 A CB -0.968 18.029 19.000 -0.005 0.000 0.842 209 A HN 0.443 nan 8.150 nan 0.000 0.468 210 A N 0.199 123.017 122.820 -0.004 0.000 2.805 210 A HA 0.415 4.735 4.320 -0.000 0.000 0.301 210 A C 0.271 177.853 177.584 -0.004 0.000 1.557 210 A CA 0.056 52.090 52.037 -0.004 0.000 1.254 210 A CB -0.621 18.376 19.000 -0.006 0.000 1.114 210 A HN 0.534 nan 8.150 nan 0.000 0.553 211 E N 2.385 122.584 120.200 -0.001 0.000 1.954 211 E HA 0.273 4.623 4.350 -0.000 0.000 0.272 211 E C 1.339 177.937 176.600 -0.002 0.000 1.170 211 E CA 0.760 57.160 56.400 -0.000 0.000 1.101 211 E CB -0.756 28.946 29.700 0.004 0.000 1.076 211 E HN 1.130 nan 8.360 nan 0.000 0.449 212 G N 3.005 111.801 108.800 -0.007 0.000 2.176 212 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.253 212 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.253 212 G C 0.222 175.112 174.900 -0.017 0.000 0.979 212 G CA 0.361 45.454 45.100 -0.012 0.000 0.641 212 G HN 0.762 nan 8.290 nan 0.000 0.530 213 S N 0.220 115.913 115.700 -0.012 0.000 2.399 213 S HA 0.619 5.089 4.470 -0.000 0.000 0.301 213 S C 1.106 175.698 174.600 -0.013 0.000 1.093 213 S CA -0.129 58.063 58.200 -0.012 0.000 1.077 213 S CB 1.875 65.072 63.200 -0.006 0.000 0.980 213 S HN 0.778 nan 8.310 nan 0.000 0.494 214 L N 4.197 125.409 121.223 -0.018 0.000 2.240 214 L HA 0.125 4.465 4.340 -0.000 0.000 0.211 214 L C 2.371 179.239 176.870 -0.002 0.000 1.106 214 L CA 1.228 56.058 54.840 -0.016 0.000 0.793 214 L CB -0.698 41.347 42.059 -0.023 0.000 0.927 214 L HN 0.725 nan 8.230 nan 0.000 0.446 215 R N -0.308 120.192 120.500 0.001 0.000 2.113 215 R HA -0.189 4.151 4.340 -0.000 0.000 0.231 215 R C 1.889 178.197 176.300 0.012 0.000 1.129 215 R CA 1.873 57.980 56.100 0.011 0.000 0.915 215 R CB -1.090 29.214 30.300 0.007 0.000 0.837 215 R HN 0.358 nan 8.270 nan 0.000 0.430 216 D N 0.664 121.068 120.400 0.006 0.000 2.149 216 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 216 D C 1.910 178.212 176.300 0.003 0.000 0.990 216 D CA 1.540 55.544 54.000 0.005 0.000 0.839 216 D CB -0.226 40.576 40.800 0.003 0.000 0.948 216 D HN 0.361 nan 8.370 nan 0.000 0.460 217 A N 0.793 123.612 122.820 -0.002 0.000 1.940 217 A HA -0.177 4.142 4.320 -0.000 0.000 0.219 217 A C 2.113 179.695 177.584 -0.003 0.000 1.176 217 A CA 1.071 53.103 52.037 -0.008 0.000 0.631 217 A CB -0.426 18.564 19.000 -0.018 0.000 0.814 217 A HN 0.113 nan 8.150 nan 0.000 0.446 218 L N -0.295 120.934 121.223 0.009 0.000 2.005 218 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 218 L C 2.770 179.657 176.870 0.027 0.000 1.072 218 L CA 2.106 56.962 54.840 0.026 0.000 0.744 218 L CB -1.482 40.611 42.059 0.055 0.000 0.895 218 L HN 0.297 nan 8.230 nan 0.000 0.433 219 S N -0.263 115.451 115.700 0.023 0.000 2.370 219 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 219 S C 2.048 176.657 174.600 0.015 0.000 1.033 219 S CA 1.178 59.390 58.200 0.020 0.000 1.011 219 S CB -0.382 62.827 63.200 0.016 0.000 0.852 219 S HN 0.314 nan 8.310 nan 0.000 0.457 220 L N 0.803 122.031 121.223 0.009 0.000 2.017 220 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 220 L C 2.668 179.541 176.870 0.005 0.000 1.073 220 L CA 1.272 56.115 54.840 0.005 0.000 0.745 220 L CB -1.285 40.774 42.059 -0.000 0.000 0.894 220 L HN 0.275 nan 8.230 nan 0.000 0.432 221 T N -0.751 113.806 114.554 0.005 0.000 2.803 221 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 221 T C 1.394 176.104 174.700 0.016 0.000 1.052 221 T CA 1.480 63.582 62.100 0.005 0.000 1.136 221 T CB -0.256 68.611 68.868 -0.001 0.000 0.864 221 T HN 0.385 nan 8.240 nan 0.000 0.467 222 D N 1.114 121.528 120.400 0.023 0.000 2.149 222 D HA -0.045 4.594 4.640 -0.000 0.000 0.201 222 D C 2.326 178.639 176.300 0.022 0.000 0.972 222 D CA 0.770 54.787 54.000 0.028 0.000 0.835 222 D CB -0.203 40.616 40.800 0.031 0.000 0.966 222 D HN 0.476 nan 8.370 nan 0.000 0.476 223 Q N 0.770 120.580 119.800 0.016 0.000 2.061 223 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 223 Q C 2.320 178.326 176.000 0.011 0.000 0.984 223 Q CA 1.427 57.237 55.803 0.012 0.000 0.846 223 Q CB -0.157 28.585 28.738 0.007 0.000 0.902 223 Q HN 0.200 nan 8.270 nan 0.000 0.421 224 A N 1.092 123.918 122.820 0.010 0.000 1.908 224 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 224 A C 2.027 179.621 177.584 0.016 0.000 1.181 224 A CA 1.300 53.344 52.037 0.010 0.000 0.627 224 A CB -0.731 18.275 19.000 0.010 0.000 0.818 224 A HN 0.333 nan 8.150 nan 0.000 0.445 225 I N -0.471 120.112 120.570 0.021 0.000 2.361 225 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 225 I C 2.792 178.923 176.117 0.023 0.000 1.133 225 I CA 1.006 62.322 61.300 0.026 0.000 1.413 225 I CB -0.265 37.755 38.000 0.033 0.000 1.073 225 I HN 0.379 nan 8.210 nan 0.000 0.424 226 A N 0.396 123.227 122.820 0.020 0.000 1.975 226 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 226 A C 2.364 179.955 177.584 0.012 0.000 1.170 226 A CA 1.470 53.517 52.037 0.017 0.000 0.656 226 A CB -0.381 18.629 19.000 0.017 0.000 0.821 226 A HN 0.480 nan 8.150 nan 0.000 0.449 227 S N -1.755 113.951 115.700 0.010 0.000 2.517 227 S HA 0.276 4.746 4.470 -0.000 0.000 0.214 227 S C 1.393 175.997 174.600 0.006 0.000 0.991 227 S CA 0.651 58.854 58.200 0.006 0.000 0.906 227 S CB 0.139 63.340 63.200 0.002 0.000 0.789 227 S HN 0.578 nan 8.310 nan 0.000 0.513 228 G N 0.504 109.310 108.800 0.010 0.000 3.324 228 G HA2 0.298 4.258 3.960 -0.000 0.000 0.251 228 G HA3 0.298 4.258 3.960 -0.000 0.000 0.251 228 G C -0.476 174.432 174.900 0.013 0.000 1.072 228 G CA -0.326 44.780 45.100 0.011 0.000 0.787 228 G HN 0.281 nan 8.290 nan 0.000 0.537 229 D N -0.225 120.183 120.400 0.014 0.000 2.812 229 D HA -0.137 4.503 4.640 -0.000 0.000 0.237 229 D C 1.632 177.943 176.300 0.019 0.000 1.162 229 D CA 1.915 55.924 54.000 0.014 0.000 0.740 229 D CB -1.275 39.531 40.800 0.010 0.000 1.000 229 D HN 0.907 nan 8.370 nan 0.000 0.416 230 G N -0.057 108.757 108.800 0.025 0.000 2.320 230 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.242 230 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.242 230 G C 0.270 175.192 174.900 0.036 0.000 1.033 230 G CA 0.369 45.489 45.100 0.032 0.000 0.620 230 G HN 0.502 nan 8.290 nan 0.000 0.517 231 Q N 0.557 120.374 119.800 0.030 0.000 2.331 231 Q HA 0.501 4.841 4.340 -0.000 0.000 0.257 231 Q C 0.477 176.499 176.000 0.037 0.000 0.957 231 Q CA -0.470 55.353 55.803 0.033 0.000 0.923 231 Q CB 2.092 30.843 28.738 0.021 0.000 1.212 231 Q HN 0.202 nan 8.270 nan 0.000 0.443 232 V N 2.813 122.759 119.914 0.054 0.000 2.588 232 V HA -0.054 4.066 4.120 -0.000 0.000 0.329 232 V C 0.613 176.738 176.094 0.052 0.000 1.688 232 V CA 0.062 62.393 62.300 0.052 0.000 1.686 232 V CB -1.565 30.297 31.823 0.065 0.000 1.383 232 V HN 0.679 nan 8.190 nan 0.000 0.492 233 S N 0.184 115.904 115.700 0.033 0.000 2.562 233 S HA 0.045 4.515 4.470 -0.000 0.000 0.281 233 S C 1.586 176.197 174.600 0.018 0.000 1.333 233 S CA 0.114 58.328 58.200 0.024 0.000 1.052 233 S CB 1.076 64.284 63.200 0.013 0.000 0.884 233 S HN 0.717 nan 8.310 nan 0.000 0.506 234 T N 0.663 115.227 114.554 0.017 0.000 2.897 234 T HA -0.181 4.169 4.350 -0.000 0.000 0.271 234 T C 1.334 176.035 174.700 0.003 0.000 1.084 234 T CA 1.380 63.487 62.100 0.011 0.000 1.123 234 T CB -0.570 68.304 68.868 0.011 0.000 0.865 234 T HN 0.779 nan 8.240 nan 0.000 0.496 235 Q N 0.231 120.032 119.800 0.002 0.000 2.424 235 Q HA 0.405 4.745 4.340 -0.000 0.000 0.204 235 Q C 2.343 178.340 176.000 -0.004 0.000 0.933 235 Q CA 0.660 56.461 55.803 -0.003 0.000 0.929 235 Q CB 0.004 28.740 28.738 -0.002 0.000 1.037 235 Q HN 0.719 nan 8.270 nan 0.000 0.511 236 A N -0.214 122.605 122.820 -0.000 0.000 1.993 236 A HA 0.074 4.394 4.320 -0.000 0.000 0.207 236 A C 2.060 179.642 177.584 -0.003 0.000 1.224 236 A CA 0.156 52.193 52.037 -0.001 0.000 0.749 236 A CB -0.007 18.997 19.000 0.006 0.000 0.884 236 A HN 0.123 nan 8.150 nan 0.000 0.467 237 V N 1.025 120.938 119.914 -0.001 0.000 2.255 237 V HA -0.196 3.924 4.120 -0.000 0.000 0.243 237 V C 2.984 179.072 176.094 -0.011 0.000 1.038 237 V CA 2.378 64.675 62.300 -0.003 0.000 1.008 237 V CB -0.804 31.020 31.823 0.002 0.000 0.645 237 V HN 0.766 nan 8.190 nan 0.000 0.449 238 S N 1.340 117.034 115.700 -0.011 0.000 2.423 238 S HA -0.261 4.209 4.470 -0.000 0.000 0.238 238 S C 1.992 176.573 174.600 -0.032 0.000 1.028 238 S CA 1.698 59.886 58.200 -0.020 0.000 1.000 238 S CB -0.652 62.538 63.200 -0.017 0.000 0.797 238 S HN 0.606 nan 8.310 nan 0.000 0.487 239 A N 1.974 124.777 122.820 -0.028 0.000 1.898 239 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 239 A C 2.343 179.903 177.584 -0.040 0.000 1.181 239 A CA 1.544 53.560 52.037 -0.036 0.000 0.620 239 A CB -0.680 18.305 19.000 -0.025 0.000 0.819 239 A HN 0.598 nan 8.150 nan 0.000 0.442 240 M N -0.500 119.083 119.600 -0.029 0.000 2.200 240 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 240 M C 1.929 178.207 176.300 -0.037 0.000 1.074 240 M CA 1.592 56.876 55.300 -0.027 0.000 1.098 240 M CB -0.753 31.837 32.600 -0.017 0.000 1.268 240 M HN 0.306 nan 8.290 nan 0.000 0.432 241 L N 0.352 121.554 121.223 -0.034 0.000 2.651 241 L HA -0.085 4.255 4.340 -0.000 0.000 0.236 241 L C 1.124 177.956 176.870 -0.064 0.000 1.173 241 L CA 0.472 55.288 54.840 -0.039 0.000 0.843 241 L CB -1.413 40.630 42.059 -0.028 0.000 0.964 241 L HN 0.788 nan 8.230 nan 0.000 0.454 242 G N 0.393 109.145 108.800 -0.079 0.000 2.249 242 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.273 242 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.273 242 G C 0.193 175.015 174.900 -0.130 0.000 1.036 242 G CA 0.498 45.521 45.100 -0.127 0.000 0.824 242 G HN 0.326 nan 8.290 nan 0.000 0.504 243 T N 0.159 114.663 114.554 -0.083 0.000 2.929 243 T HA 0.671 5.021 4.350 -0.000 0.000 0.284 243 T C 0.830 175.497 174.700 -0.054 0.000 1.014 243 T CA -0.591 61.471 62.100 -0.063 0.000 1.051 243 T CB 1.737 70.585 68.868 -0.034 0.000 1.028 243 T HN 0.332 nan 8.240 nan 0.000 0.485 244 L N 1.485 122.684 121.223 -0.040 0.000 2.421 244 L HA 0.433 4.773 4.340 -0.000 0.000 0.263 244 L C 0.058 176.921 176.870 -0.012 0.000 1.122 244 L CA -1.081 53.742 54.840 -0.028 0.000 0.804 244 L CB 0.498 42.545 42.059 -0.019 0.000 1.150 244 L HN 0.530 nan 8.230 nan 0.000 0.457 245 D N 0.355 120.750 120.400 -0.009 0.000 2.382 245 D HA -0.001 4.639 4.640 -0.000 0.000 0.245 245 D C 0.693 176.995 176.300 0.004 0.000 1.120 245 D CA -0.135 53.863 54.000 -0.002 0.000 0.890 245 D CB 0.801 41.599 40.800 -0.003 0.000 1.201 245 D HN 0.401 nan 8.370 nan 0.000 0.433 246 D N 1.017 121.422 120.400 0.008 0.000 2.322 246 D HA -0.198 4.442 4.640 -0.000 0.000 0.210 246 D C 1.301 177.607 176.300 0.010 0.000 0.983 246 D CA 0.999 55.006 54.000 0.013 0.000 0.902 246 D CB 0.217 41.026 40.800 0.015 0.000 0.905 246 D HN 0.516 nan 8.370 nan 0.000 0.483 247 D N 0.601 121.005 120.400 0.007 0.000 2.084 247 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 247 D C 1.991 178.294 176.300 0.006 0.000 0.981 247 D CA 1.254 55.257 54.000 0.005 0.000 0.841 247 D CB -0.012 40.790 40.800 0.003 0.000 0.997 247 D HN 0.146 nan 8.370 nan 0.000 0.454 248 Q N 0.254 120.057 119.800 0.005 0.000 2.152 248 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 248 Q C 2.251 178.258 176.000 0.011 0.000 0.985 248 Q CA 1.623 57.430 55.803 0.006 0.000 0.863 248 Q CB -0.317 28.422 28.738 0.002 0.000 0.904 248 Q HN 0.362 nan 8.270 nan 0.000 0.422 249 A N 1.279 124.106 122.820 0.012 0.000 1.840 249 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 249 A C 2.107 179.701 177.584 0.017 0.000 1.198 249 A CA 1.131 53.179 52.037 0.018 0.000 0.608 249 A CB -0.742 18.271 19.000 0.021 0.000 0.839 249 A HN 0.322 nan 8.150 nan 0.000 0.443 250 L N 0.504 121.736 121.223 0.014 0.000 2.043 250 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 250 L C 2.500 179.372 176.870 0.003 0.000 1.075 250 L CA 2.600 57.446 54.840 0.010 0.000 0.752 250 L CB -0.831 41.233 42.059 0.009 0.000 0.891 250 L HN 0.350 nan 8.230 nan 0.000 0.432 251 S N -0.305 115.398 115.700 0.004 0.000 2.365 251 S HA -0.253 4.217 4.470 -0.000 0.000 0.221 251 S C 1.931 176.531 174.600 -0.002 0.000 1.037 251 S CA 1.922 60.123 58.200 0.002 0.000 1.060 251 S CB -0.702 62.501 63.200 0.005 0.000 0.974 251 S HN 0.487 nan 8.310 nan 0.000 0.427 252 L N 1.297 122.523 121.223 0.006 0.000 1.997 252 L HA -0.196 4.144 4.340 -0.000 0.000 0.216 252 L C 2.413 179.275 176.870 -0.014 0.000 1.074 252 L CA 1.253 56.096 54.840 0.006 0.000 0.763 252 L CB -0.983 41.090 42.059 0.023 0.000 0.890 252 L HN 0.203 nan 8.230 nan 0.000 0.434 253 V N -0.209 119.696 119.914 -0.015 0.000 2.250 253 V HA -0.381 3.739 4.120 -0.000 0.000 0.253 253 V C 2.355 178.406 176.094 -0.072 0.000 1.065 253 V CA 2.370 64.645 62.300 -0.043 0.000 1.039 253 V CB -0.735 31.075 31.823 -0.021 0.000 0.647 253 V HN 0.495 nan 8.190 nan 0.000 0.446 254 E N 0.358 120.533 120.200 -0.042 0.000 2.031 254 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 254 E C 2.324 178.899 176.600 -0.042 0.000 0.994 254 E CA 1.289 57.666 56.400 -0.038 0.000 0.800 254 E CB -0.490 29.199 29.700 -0.018 0.000 0.752 254 E HN 0.583 nan 8.360 nan 0.000 0.447 255 A N 1.169 123.970 122.820 -0.032 0.000 2.084 255 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 255 A C 2.033 179.587 177.584 -0.049 0.000 1.161 255 A CA 1.480 53.498 52.037 -0.032 0.000 0.653 255 A CB -0.505 18.485 19.000 -0.016 0.000 0.802 255 A HN 0.281 nan 8.150 nan 0.000 0.457 256 M N -0.601 118.961 119.600 -0.064 0.000 2.142 256 M HA -0.064 4.416 4.480 -0.000 0.000 0.256 256 M C 1.911 178.155 176.300 -0.094 0.000 1.098 256 M CA 1.889 57.140 55.300 -0.081 0.000 1.151 256 M CB -0.263 32.263 32.600 -0.122 0.000 1.299 256 M HN 0.174 nan 8.290 nan 0.000 0.431 257 V N 1.345 121.166 119.914 -0.154 0.000 2.527 257 V HA -0.288 3.832 4.120 -0.000 0.000 0.255 257 V C 1.936 178.093 176.094 0.104 0.000 1.081 257 V CA 2.082 64.370 62.300 -0.020 0.000 1.092 257 V CB -1.170 30.605 31.823 -0.081 0.000 0.673 257 V HN 0.557 nan 8.190 nan 0.000 0.470 258 E N -0.366 119.816 120.200 -0.029 0.000 2.274 258 E HA 0.119 4.469 4.350 -0.000 0.000 0.194 258 E C 1.590 178.083 176.600 -0.179 0.000 0.996 258 E CA 0.687 57.053 56.400 -0.057 0.000 0.840 258 E CB -0.146 29.528 29.700 -0.043 0.000 0.772 258 E HN 0.591 nan 8.360 nan 0.000 0.491 259 A N 2.037 124.682 122.820 -0.292 0.000 2.952 259 A HA -0.190 4.130 4.320 -0.000 0.000 0.252 259 A C 0.177 177.655 177.584 -0.177 0.000 1.323 259 A CA 0.894 52.694 52.037 -0.394 0.000 0.957 259 A CB -2.492 16.086 19.000 -0.704 0.000 1.130 259 A HN 0.472 nan 8.150 nan 0.000 0.799 260 N N 0.742 119.377 118.700 -0.109 0.000 2.645 260 N HA 0.405 5.145 4.740 -0.000 0.000 0.233 260 N C 1.065 176.550 175.510 -0.042 0.000 1.058 260 N CA 0.490 53.503 53.050 -0.062 0.000 0.942 260 N CB 0.457 38.918 38.487 -0.044 0.000 1.210 260 N HN 0.538 nan 8.380 nan 0.000 0.512 261 G N 2.265 111.044 108.800 -0.036 0.000 2.679 261 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.217 261 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.217 261 G C 0.944 175.838 174.900 -0.008 0.000 1.267 261 G CA 1.040 46.130 45.100 -0.017 0.000 0.799 261 G HN 0.671 nan 8.290 nan 0.000 0.606 262 E N -0.237 119.958 120.200 -0.007 0.000 2.217 262 E HA -0.340 4.010 4.350 -0.000 0.000 0.219 262 E C 2.473 179.074 176.600 0.001 0.000 1.070 262 E CA 1.750 58.148 56.400 -0.002 0.000 0.889 262 E CB -0.182 29.516 29.700 -0.004 0.000 0.768 262 E HN 0.456 nan 8.360 nan 0.000 0.465 263 R N -0.105 120.393 120.500 -0.002 0.000 2.148 263 R HA -0.114 4.226 4.340 -0.000 0.000 0.227 263 R C 2.149 178.453 176.300 0.007 0.000 1.103 263 R CA 1.224 57.324 56.100 0.001 0.000 0.983 263 R CB 0.086 30.383 30.300 -0.004 0.000 0.874 263 R HN 0.130 nan 8.270 nan 0.000 0.451 264 V N 2.115 122.033 119.914 0.006 0.000 2.255 264 V HA -0.259 3.861 4.120 -0.000 0.000 0.243 264 V C 2.410 178.520 176.094 0.027 0.000 1.038 264 V CA 1.973 64.281 62.300 0.015 0.000 1.008 264 V CB -0.504 31.326 31.823 0.011 0.000 0.645 264 V HN 0.454 nan 8.190 nan 0.000 0.449 265 M N 0.376 119.988 119.600 0.021 0.000 2.629 265 M HA 0.057 4.537 4.480 -0.000 0.000 0.257 265 M C 1.823 178.142 176.300 0.030 0.000 1.071 265 M CA 1.910 57.224 55.300 0.023 0.000 1.077 265 M CB -0.664 31.942 32.600 0.010 0.000 1.423 265 M HN 0.232 nan 8.290 nan 0.000 0.508 266 A N 1.343 124.180 122.820 0.028 0.000 1.911 266 A HA 0.208 4.528 4.320 -0.000 0.000 0.212 266 A C 2.079 179.687 177.584 0.040 0.000 1.189 266 A CA 0.430 52.485 52.037 0.029 0.000 0.639 266 A CB -0.479 18.533 19.000 0.019 0.000 0.839 266 A HN 0.519 nan 8.150 nan 0.000 0.449 267 L N -0.186 121.061 121.223 0.040 0.000 2.465 267 L HA -0.000 4.339 4.340 -0.000 0.000 0.224 267 L C 2.058 178.973 176.870 0.075 0.000 1.145 267 L CA 0.423 55.291 54.840 0.046 0.000 0.834 267 L CB -0.170 41.911 42.059 0.035 0.000 0.944 267 L HN 0.414 nan 8.230 nan 0.000 0.451 268 I N -0.926 119.701 120.570 0.094 0.000 2.296 268 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 268 I C 2.301 178.533 176.117 0.193 0.000 1.087 268 I CA 0.637 62.035 61.300 0.163 0.000 1.393 268 I CB -0.328 37.748 38.000 0.127 0.000 1.093 268 I HN 0.270 nan 8.210 nan 0.000 0.421 269 N N 1.235 120.008 118.700 0.122 0.000 2.069 269 N HA -0.269 4.471 4.740 -0.000 0.000 0.191 269 N C 1.811 177.387 175.510 0.110 0.000 1.031 269 N CA 1.799 54.918 53.050 0.115 0.000 0.852 269 N CB -0.108 38.417 38.487 0.064 0.000 1.018 269 N HN 0.373 nan 8.380 nan 0.000 0.423 270 E N 0.064 120.310 120.200 0.078 0.000 2.058 270 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 270 E C 1.757 178.389 176.600 0.052 0.000 0.997 270 E CA 1.343 57.775 56.400 0.055 0.000 0.801 270 E CB -0.165 29.558 29.700 0.038 0.000 0.746 270 E HN 0.392 nan 8.360 nan 0.000 0.450 271 A N 1.056 123.914 122.820 0.063 0.000 1.969 271 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 271 A C 2.379 179.962 177.584 -0.001 0.000 1.169 271 A CA 1.627 53.677 52.037 0.022 0.000 0.635 271 A CB -0.670 18.345 19.000 0.025 0.000 0.810 271 A HN 0.436 nan 8.150 nan 0.000 0.445 272 A N 0.086 122.983 122.820 0.128 0.000 1.902 272 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 272 A C 2.467 180.103 177.584 0.088 0.000 1.181 272 A CA 1.973 54.128 52.037 0.197 0.000 0.623 272 A CB -1.049 18.240 19.000 0.482 0.000 0.818 272 A HN 1.154 nan 8.150 nan 0.000 0.443 273 A N 0.561 123.426 122.820 0.076 0.000 2.084 273 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 273 A C 1.946 179.537 177.584 0.012 0.000 1.161 273 A CA 1.574 53.638 52.037 0.045 0.000 0.653 273 A CB -0.512 18.510 19.000 0.037 0.000 0.802 273 A HN 0.710 nan 8.150 nan 0.000 0.457 274 R N -0.762 119.728 120.500 -0.016 0.000 2.586 274 R HA 0.379 4.719 4.340 -0.000 0.000 0.306 274 R C 0.622 176.875 176.300 -0.080 0.000 1.079 274 R CA 0.186 56.262 56.100 -0.040 0.000 1.083 274 R CB -1.020 29.255 30.300 -0.042 0.000 1.306 274 R HN 0.615 nan 8.270 nan 0.000 0.567 275 G N 2.405 111.154 108.800 -0.085 0.000 2.292 275 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.221 275 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.221 275 G C -0.117 174.632 174.900 -0.252 0.000 0.657 275 G CA 0.119 45.138 45.100 -0.134 0.000 1.036 275 G HN 0.462 nan 8.290 nan 0.000 0.309 276 I N 0.452 120.725 120.570 -0.495 0.000 3.062 276 I HA 0.543 4.713 4.170 -0.000 0.000 0.316 276 I C 0.121 175.799 176.117 -0.733 0.000 1.041 276 I CA -1.140 59.789 61.300 -0.619 0.000 1.069 276 I CB 1.440 38.929 38.000 -0.852 0.000 1.300 276 I HN 0.093 nan 8.210 nan 0.000 0.518 277 E N 2.357 122.253 120.200 -0.507 0.000 2.400 277 E HA 0.104 4.453 4.350 -0.000 0.000 0.232 277 E C 0.014 176.464 176.600 -0.250 0.000 0.988 277 E CA -0.338 55.862 56.400 -0.333 0.000 0.823 277 E CB 0.318 29.927 29.700 -0.150 0.000 1.246 277 E HN 0.584 nan 8.360 nan 0.000 0.441 278 W N 1.292 122.597 121.300 0.008 0.000 2.240 278 W HA -0.275 4.385 4.660 -0.000 0.000 0.297 278 W C 1.883 178.407 176.519 0.008 0.000 1.239 278 W CA 0.804 58.154 57.345 0.008 0.000 1.245 278 W CB -0.036 29.430 29.460 0.009 0.000 1.129 278 W HN 0.449 nan 8.180 nan 0.000 0.543 279 E N 0.163 120.464 120.200 0.167 0.000 2.028 279 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 279 E C 2.367 179.005 176.600 0.063 0.000 0.984 279 E CA 1.247 57.710 56.400 0.106 0.000 0.800 279 E CB -0.488 29.255 29.700 0.071 0.000 0.758 279 E HN 0.230 nan 8.360 nan 0.000 0.448 280 A N 1.899 124.732 122.820 0.022 0.000 1.892 280 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 280 A C 2.306 179.898 177.584 0.014 0.000 1.188 280 A CA 1.520 53.558 52.037 0.002 0.000 0.631 280 A CB -0.978 18.001 19.000 -0.035 0.000 0.822 280 A HN 0.373 nan 8.150 nan 0.000 0.447 281 L N -0.878 120.353 121.223 0.013 0.000 2.137 281 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 281 L C 2.194 179.105 176.870 0.070 0.000 1.085 281 L CA 1.584 56.449 54.840 0.042 0.000 0.760 281 L CB -0.137 41.977 42.059 0.093 0.000 0.893 281 L HN 0.460 nan 8.230 nan 0.000 0.434 282 L N -2.108 119.162 121.223 0.078 0.000 2.249 282 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 282 L C 2.349 179.247 176.870 0.047 0.000 1.090 282 L CA 0.192 55.070 54.840 0.064 0.000 0.802 282 L CB -0.240 41.855 42.059 0.061 0.000 0.947 282 L HN 0.044 nan 8.230 nan 0.000 0.453 283 V N -0.026 119.913 119.914 0.043 0.000 2.220 283 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 283 V C 2.553 178.681 176.094 0.056 0.000 1.049 283 V CA 1.829 64.154 62.300 0.041 0.000 1.003 283 V CB -0.481 31.360 31.823 0.031 0.000 0.634 283 V HN 0.423 nan 8.190 nan 0.000 0.444 284 E N -0.336 119.892 120.200 0.047 0.000 2.097 284 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 284 E C 2.189 178.832 176.600 0.072 0.000 1.000 284 E CA 1.664 58.096 56.400 0.053 0.000 0.804 284 E CB -0.424 29.297 29.700 0.035 0.000 0.740 284 E HN 0.576 nan 8.360 nan 0.000 0.454 285 M N 0.169 119.810 119.600 0.069 0.000 2.149 285 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 285 M C 2.448 178.824 176.300 0.126 0.000 1.064 285 M CA 1.250 56.597 55.300 0.080 0.000 1.102 285 M CB -0.413 32.227 32.600 0.067 0.000 1.369 285 M HN 0.085 nan 8.290 nan 0.000 0.408 286 L N -0.621 120.687 121.223 0.142 0.000 2.005 286 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 286 L C 2.772 179.814 176.870 0.286 0.000 1.072 286 L CA 1.446 56.441 54.840 0.259 0.000 0.744 286 L CB -1.433 40.742 42.059 0.193 0.000 0.895 286 L HN 0.382 nan 8.230 nan 0.000 0.433 287 G N 0.189 109.102 108.800 0.187 0.000 2.469 287 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 287 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 287 G C 1.640 176.656 174.900 0.194 0.000 1.136 287 G CA 0.768 45.970 45.100 0.170 0.000 0.759 287 G HN 0.209 nan 8.290 nan 0.000 0.562 288 L N -0.213 121.095 121.223 0.142 0.000 2.005 288 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 288 L C 2.695 179.628 176.870 0.105 0.000 1.072 288 L CA 0.569 55.471 54.840 0.102 0.000 0.744 288 L CB -0.397 41.705 42.059 0.072 0.000 0.895 288 L HN 0.151 nan 8.230 nan 0.000 0.433 289 L N -0.600 120.711 121.223 0.147 0.000 2.642 289 L HA -0.200 4.140 4.340 -0.000 0.000 0.236 289 L C 2.293 179.227 176.870 0.106 0.000 1.169 289 L CA 0.300 55.229 54.840 0.148 0.000 0.851 289 L CB -0.638 41.568 42.059 0.245 0.000 0.968 289 L HN 0.390 nan 8.230 nan 0.000 0.453 290 H N 0.204 119.276 119.070 0.004 0.000 2.320 290 H HA 0.008 4.564 4.556 -0.000 0.000 0.309 290 H C 2.329 177.627 175.328 -0.051 0.000 1.057 290 H CA 1.228 57.227 56.048 -0.082 0.000 1.374 290 H CB 0.162 29.891 29.762 -0.054 0.000 1.421 290 H HN -0.009 nan 8.280 nan 0.000 0.532 291 R N 0.061 120.364 120.500 -0.329 0.000 2.148 291 R HA -0.017 4.323 4.340 -0.000 0.000 0.227 291 R C 2.400 178.589 176.300 -0.185 0.000 1.103 291 R CA 1.296 57.187 56.100 -0.349 0.000 0.983 291 R CB -0.161 30.052 30.300 -0.145 0.000 0.874 291 R HN 0.418 nan 8.270 nan 0.000 0.451 292 I N 0.424 120.938 120.570 -0.095 0.000 2.286 292 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 292 I C 2.346 178.427 176.117 -0.059 0.000 1.115 292 I CA 1.307 62.579 61.300 -0.047 0.000 1.392 292 I CB -0.305 37.695 38.000 -0.000 0.000 1.065 292 I HN 0.172 nan 8.210 nan 0.000 0.418 293 A N -0.155 122.614 122.820 -0.085 0.000 2.123 293 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 293 A C 2.265 179.780 177.584 -0.114 0.000 1.152 293 A CA 0.616 52.607 52.037 -0.077 0.000 0.728 293 A CB -0.178 18.778 19.000 -0.073 0.000 0.814 293 A HN 0.237 nan 8.150 nan 0.000 0.464 294 M N -0.638 118.848 119.600 -0.190 0.000 2.288 294 M HA 0.008 4.488 4.480 -0.000 0.000 0.266 294 M C 1.640 177.871 176.300 -0.115 0.000 1.072 294 M CA 1.149 56.329 55.300 -0.199 0.000 1.132 294 M CB -0.380 32.012 32.600 -0.348 0.000 1.386 294 M HN 0.220 nan 8.290 nan 0.000 0.432 295 V N -0.309 119.548 119.914 -0.095 0.000 3.541 295 V HA -0.079 4.041 4.120 -0.000 0.000 0.267 295 V C 1.838 177.908 176.094 -0.040 0.000 1.213 295 V CA 0.723 62.988 62.300 -0.058 0.000 1.149 295 V CB -0.519 31.276 31.823 -0.047 0.000 0.822 295 V HN 0.490 nan 8.190 nan 0.000 0.462 296 Q N -0.696 119.079 119.800 -0.042 0.000 2.425 296 Q HA 0.058 4.398 4.340 -0.000 0.000 0.204 296 Q C 1.835 177.820 176.000 -0.025 0.000 0.933 296 Q CA 0.624 56.411 55.803 -0.026 0.000 0.939 296 Q CB 0.363 29.088 28.738 -0.021 0.000 1.044 296 Q HN 0.534 nan 8.270 nan 0.000 0.513 297 L N -0.753 120.451 121.223 -0.032 0.000 2.445 297 L HA 0.160 4.500 4.340 -0.000 0.000 0.207 297 L C 0.156 177.012 176.870 -0.023 0.000 1.053 297 L CA 0.807 55.632 54.840 -0.026 0.000 0.841 297 L CB 0.916 42.956 42.059 -0.030 0.000 1.074 297 L HN -0.057 nan 8.230 nan 0.000 0.479 298 S N -0.449 115.234 115.700 -0.028 0.000 2.789 298 S HA 0.485 4.955 4.470 -0.000 0.000 0.286 298 S C -2.146 172.439 174.600 -0.025 0.000 1.153 298 S CA -1.018 57.168 58.200 -0.023 0.000 1.084 298 S CB 1.172 64.359 63.200 -0.022 0.000 1.036 298 S HN 0.130 nan 8.310 nan 0.000 0.484 299 P HA -0.026 nan 4.420 nan 0.000 0.229 299 P C 0.870 178.160 177.300 -0.017 0.000 1.150 299 P CA 0.775 63.864 63.100 -0.018 0.000 0.765 299 P CB -0.117 31.575 31.700 -0.012 0.000 0.783 300 A N -0.852 121.958 122.820 -0.016 0.000 2.411 300 A HA 0.494 4.814 4.320 -0.000 0.000 0.251 300 A C 1.972 179.547 177.584 -0.016 0.000 1.317 300 A CA 0.445 52.474 52.037 -0.013 0.000 0.904 300 A CB -0.650 18.345 19.000 -0.009 0.000 0.993 300 A HN 0.203 nan 8.150 nan 0.000 0.504 301 A N 0.191 122.995 122.820 -0.026 0.000 1.831 301 A HA 0.267 4.586 4.320 -0.000 0.000 0.213 301 A C 1.042 178.610 177.584 -0.027 0.000 1.223 301 A CA 0.222 52.237 52.037 -0.036 0.000 0.604 301 A CB -0.768 18.193 19.000 -0.064 0.000 0.878 301 A HN 0.483 nan 8.150 nan 0.000 0.450 302 L N 0.183 121.389 121.223 -0.027 0.000 2.870 302 L HA -0.070 4.270 4.340 -0.000 0.000 0.330 302 L C 1.166 178.033 176.870 -0.005 0.000 1.240 302 L CA 0.151 54.981 54.840 -0.016 0.000 0.847 302 L CB -0.349 41.702 42.059 -0.012 0.000 1.111 302 L HN 0.496 nan 8.230 nan 0.000 0.542 303 G N 1.878 110.680 108.800 0.003 0.000 2.547 303 G HA2 0.108 4.068 3.960 -0.000 0.000 0.291 303 G HA3 0.108 4.068 3.960 -0.000 0.000 0.291 303 G C 0.701 175.606 174.900 0.008 0.000 1.211 303 G CA -0.512 44.594 45.100 0.010 0.000 0.950 303 G HN 0.758 nan 8.290 nan 0.000 0.504 304 N N -0.109 118.597 118.700 0.010 0.000 2.000 304 N HA -0.160 4.580 4.740 -0.000 0.000 0.198 304 N C 1.600 177.113 175.510 0.007 0.000 1.057 304 N CA 1.496 54.550 53.050 0.008 0.000 0.858 304 N CB -0.142 38.350 38.487 0.010 0.000 1.057 304 N HN 0.575 nan 8.380 nan 0.000 0.423 305 D N 0.657 121.063 120.400 0.010 0.000 2.309 305 D HA -0.088 4.552 4.640 -0.000 0.000 0.212 305 D C 1.652 177.957 176.300 0.007 0.000 0.968 305 D CA 0.280 54.285 54.000 0.008 0.000 0.882 305 D CB -0.008 40.800 40.800 0.013 0.000 0.918 305 D HN 0.157 nan 8.370 nan 0.000 0.503 306 M N 0.212 119.817 119.600 0.009 0.000 2.530 306 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 306 M C 2.095 178.397 176.300 0.004 0.000 1.067 306 M CA 0.353 55.657 55.300 0.008 0.000 1.071 306 M CB -0.974 31.630 32.600 0.007 0.000 1.405 306 M HN 0.012 nan 8.290 nan 0.000 0.478 307 A N 0.764 123.585 122.820 0.002 0.000 1.884 307 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 307 A C 2.472 180.056 177.584 -0.000 0.000 1.197 307 A CA 2.648 54.685 52.037 -0.000 0.000 0.637 307 A CB -1.070 17.929 19.000 -0.002 0.000 0.827 307 A HN 0.495 nan 8.150 nan 0.000 0.450 308 A N 0.238 123.058 122.820 0.000 0.000 1.923 308 A HA -0.260 4.060 4.320 -0.000 0.000 0.222 308 A C 2.068 179.652 177.584 0.001 0.000 1.258 308 A CA 2.456 54.493 52.037 -0.000 0.000 0.670 308 A CB -0.902 18.098 19.000 0.001 0.000 0.834 308 A HN 1.287 nan 8.150 nan 0.000 0.470 309 I N -4.443 116.129 120.570 0.002 0.000 4.057 309 I HA 0.254 4.424 4.170 -0.000 0.000 0.334 309 I C 1.633 177.751 176.117 0.002 0.000 1.308 309 I CA 1.023 62.325 61.300 0.003 0.000 1.125 309 I CB -0.181 37.822 38.000 0.005 0.000 1.034 309 I HN 0.388 nan 8.210 nan 0.000 0.401 310 E N 1.928 122.128 120.200 0.001 0.000 2.277 310 E HA -0.296 4.054 4.350 -0.000 0.000 0.216 310 E C 2.096 178.696 176.600 -0.001 0.000 1.068 310 E CA 2.262 58.661 56.400 -0.000 0.000 0.866 310 E CB -0.088 29.612 29.700 -0.001 0.000 0.749 310 E HN 0.656 nan 8.360 nan 0.000 0.465 311 L N 0.912 122.135 121.223 -0.000 0.000 1.937 311 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 311 L C 2.288 179.159 176.870 0.001 0.000 1.077 311 L CA 2.321 57.161 54.840 0.000 0.000 0.758 311 L CB -0.941 41.118 42.059 0.000 0.000 0.888 311 L HN 0.172 nan 8.230 nan 0.000 0.433 312 R N -0.878 119.623 120.500 0.002 0.000 2.133 312 R HA -0.223 4.117 4.340 -0.000 0.000 0.247 312 R C 2.184 178.485 176.300 0.002 0.000 1.151 312 R CA 1.731 57.832 56.100 0.002 0.000 0.971 312 R CB -0.354 29.947 30.300 0.002 0.000 0.866 312 R HN 0.420 nan 8.270 nan 0.000 0.447 313 M N 0.379 119.979 119.600 0.002 0.000 2.084 313 M HA -0.163 4.317 4.480 -0.000 0.000 0.259 313 M C 2.130 178.430 176.300 -0.001 0.000 1.072 313 M CA 1.799 57.099 55.300 0.000 0.000 1.107 313 M CB -0.913 31.686 32.600 -0.001 0.000 1.299 313 M HN 0.101 nan 8.290 nan 0.000 0.413 314 R N -0.249 120.250 120.500 -0.003 0.000 2.193 314 R HA -0.174 4.165 4.340 -0.000 0.000 0.229 314 R C 2.069 178.369 176.300 0.001 0.000 1.110 314 R CA 1.043 57.141 56.100 -0.003 0.000 0.988 314 R CB -0.256 30.041 30.300 -0.004 0.000 0.871 314 R HN 0.343 nan 8.270 nan 0.000 0.458 315 E N 1.250 121.452 120.200 0.003 0.000 2.047 315 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 315 E C 1.780 178.387 176.600 0.010 0.000 0.987 315 E CA 1.226 57.630 56.400 0.006 0.000 0.799 315 E CB -0.141 29.563 29.700 0.006 0.000 0.752 315 E HN 0.244 nan 8.360 nan 0.000 0.449 316 L N -0.067 121.162 121.223 0.011 0.000 2.056 316 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 316 L C 2.547 179.429 176.870 0.020 0.000 1.078 316 L CA 1.025 55.875 54.840 0.017 0.000 0.749 316 L CB -0.735 41.332 42.059 0.014 0.000 0.901 316 L HN 0.169 nan 8.230 nan 0.000 0.433 317 A N 1.284 124.110 122.820 0.011 0.000 1.986 317 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 317 A C 2.344 179.933 177.584 0.009 0.000 1.171 317 A CA 2.198 54.239 52.037 0.006 0.000 0.640 317 A CB -0.550 18.447 19.000 -0.006 0.000 0.811 317 A HN 0.625 nan 8.150 nan 0.000 0.451 318 R N -1.475 119.031 120.500 0.010 0.000 2.282 318 R HA 0.055 4.395 4.340 -0.000 0.000 0.195 318 R C 1.551 177.861 176.300 0.017 0.000 0.909 318 R CA 1.199 57.306 56.100 0.011 0.000 1.039 318 R CB -0.637 29.668 30.300 0.007 0.000 1.015 318 R HN 0.447 nan 8.270 nan 0.000 0.513 319 T N -1.185 113.383 114.554 0.023 0.000 3.037 319 T HA 0.329 4.679 4.350 -0.000 0.000 0.252 319 T C 0.846 175.572 174.700 0.043 0.000 1.073 319 T CA -0.128 61.990 62.100 0.030 0.000 1.091 319 T CB 0.012 68.897 68.868 0.030 0.000 0.935 319 T HN 0.082 nan 8.240 nan 0.000 0.488 320 I N 2.623 123.223 120.570 0.050 0.000 2.355 320 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 320 I C -2.771 173.383 176.117 0.061 0.000 0.999 320 I CA -2.963 58.381 61.300 0.074 0.000 1.163 320 I CB 1.704 39.767 38.000 0.105 0.000 1.316 320 I HN -0.155 nan 8.210 nan 0.000 0.454 321 P HA -0.006 nan 4.420 nan 0.000 0.265 321 P C -1.849 175.468 177.300 0.029 0.000 1.187 321 P CA -0.810 62.306 63.100 0.028 0.000 0.766 321 P CB 0.047 31.755 31.700 0.014 0.000 0.820 322 P HA -0.106 nan 4.420 nan 0.000 0.234 322 P C 0.783 178.083 177.300 0.001 0.000 1.167 322 P CA 1.249 64.356 63.100 0.012 0.000 0.763 322 P CB -0.152 31.548 31.700 -0.000 0.000 0.835 323 T N 0.047 114.595 114.554 -0.010 0.000 2.942 323 T HA -0.056 4.294 4.350 -0.000 0.000 0.265 323 T C 1.056 175.713 174.700 -0.072 0.000 1.062 323 T CA 1.562 63.642 62.100 -0.032 0.000 1.139 323 T CB -0.439 68.409 68.868 -0.033 0.000 0.883 323 T HN 0.207 nan 8.240 nan 0.000 0.468 324 D N 0.869 121.222 120.400 -0.078 0.000 2.213 324 D HA 0.160 4.800 4.640 -0.000 0.000 0.205 324 D C 1.835 178.024 176.300 -0.185 0.000 0.961 324 D CA 0.325 54.190 54.000 -0.224 0.000 0.853 324 D CB -0.166 40.561 40.800 -0.122 0.000 0.967 324 D HN 0.296 nan 8.370 nan 0.000 0.496 325 I N 0.789 121.411 120.570 0.086 0.000 2.454 325 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 325 I C 1.967 178.176 176.117 0.153 0.000 1.156 325 I CA 0.907 62.339 61.300 0.219 0.000 1.433 325 I CB -0.013 38.071 38.000 0.141 0.000 1.082 325 I HN 0.015 nan 8.210 nan 0.000 0.432 326 Q N 0.002 119.833 119.800 0.052 0.000 2.269 326 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 326 Q C 2.148 178.179 176.000 0.050 0.000 0.946 326 Q CA 0.956 56.803 55.803 0.073 0.000 0.877 326 Q CB -0.113 28.641 28.738 0.027 0.000 0.963 326 Q HN 0.463 nan 8.270 nan 0.000 0.472 327 L N -0.955 120.212 121.223 -0.093 0.000 2.109 327 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 327 L C 1.711 178.502 176.870 -0.132 0.000 1.086 327 L CA 1.671 56.402 54.840 -0.183 0.000 0.760 327 L CB -0.677 41.165 42.059 -0.361 0.000 0.910 327 L HN -0.036 nan 8.230 nan 0.000 0.437 328 Y N -1.503 118.840 120.300 0.072 0.000 2.243 328 Y HA -0.141 4.409 4.550 -0.000 0.000 0.293 328 Y C 2.544 178.505 175.900 0.103 0.000 1.124 328 Y CA 1.598 59.747 58.100 0.081 0.000 1.159 328 Y CB -1.266 37.248 38.460 0.091 0.000 1.008 328 Y HN 0.276 nan 8.280 nan 0.000 0.527 329 Y N 1.167 121.566 120.300 0.166 0.000 2.145 329 Y HA -0.319 4.231 4.550 -0.000 0.000 0.286 329 Y C 2.664 178.601 175.900 0.062 0.000 1.145 329 Y CA 2.252 60.415 58.100 0.106 0.000 1.148 329 Y CB -0.578 37.934 38.460 0.086 0.000 0.981 329 Y HN 0.226 nan 8.280 nan 0.000 0.507 330 Q N -0.870 118.970 119.800 0.068 0.000 2.119 330 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 330 Q C 1.938 177.879 176.000 -0.099 0.000 0.972 330 Q CA 2.112 57.879 55.803 -0.060 0.000 0.847 330 Q CB -0.187 28.561 28.738 0.017 0.000 0.903 330 Q HN 0.454 nan 8.270 nan 0.000 0.433 331 T N 0.957 115.485 114.554 -0.043 0.000 2.833 331 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 331 T C 1.590 176.265 174.700 -0.043 0.000 1.054 331 T CA 0.934 63.009 62.100 -0.041 0.000 1.135 331 T CB -0.012 68.872 68.868 0.026 0.000 0.869 331 T HN 0.259 nan 8.240 nan 0.000 0.466 332 L N -0.171 121.018 121.223 -0.056 0.000 2.162 332 L HA 0.139 4.479 4.340 -0.000 0.000 0.205 332 L C 2.289 179.071 176.870 -0.147 0.000 1.086 332 L CA 0.458 55.255 54.840 -0.072 0.000 0.778 332 L CB -0.321 41.715 42.059 -0.038 0.000 0.928 332 L HN 0.218 nan 8.230 nan 0.000 0.446 333 L N 0.256 121.310 121.223 -0.282 0.000 2.027 333 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 333 L C 2.340 179.124 176.870 -0.144 0.000 1.074 333 L CA 1.642 56.321 54.840 -0.269 0.000 0.745 333 L CB -0.217 41.601 42.059 -0.400 0.000 0.898 333 L HN 0.060 nan 8.230 nan 0.000 0.433 334 I N -0.404 120.087 120.570 -0.132 0.000 2.264 334 I HA -0.271 3.898 4.170 -0.000 0.000 0.248 334 I C 2.397 178.473 176.117 -0.069 0.000 1.111 334 I CA 1.385 62.629 61.300 -0.093 0.000 1.382 334 I CB -1.059 36.882 38.000 -0.098 0.000 1.060 334 I HN 0.459 nan 8.210 nan 0.000 0.418 335 G N 0.261 109.025 108.800 -0.060 0.000 2.432 335 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 335 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 335 G C 1.791 176.684 174.900 -0.011 0.000 1.135 335 G CA 0.358 45.440 45.100 -0.030 0.000 0.767 335 G HN 0.299 nan 8.290 nan 0.000 0.550 336 R N 0.341 120.828 120.500 -0.021 0.000 2.148 336 R HA 0.054 4.394 4.340 -0.000 0.000 0.223 336 R C 2.345 178.658 176.300 0.021 0.000 1.088 336 R CA 0.990 57.092 56.100 0.003 0.000 0.985 336 R CB -0.144 30.146 30.300 -0.016 0.000 0.880 336 R HN 0.253 nan 8.270 nan 0.000 0.451 337 K N 0.265 120.665 120.400 0.000 0.000 2.062 337 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 337 K C 1.764 178.396 176.600 0.053 0.000 1.051 337 K CA 1.578 57.875 56.287 0.016 0.000 0.941 337 K CB 0.081 32.560 32.500 -0.034 0.000 0.719 337 K HN 0.324 nan 8.250 nan 0.000 0.440 338 E N 0.837 121.048 120.200 0.019 0.000 2.208 338 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 338 E C 1.874 178.550 176.600 0.128 0.000 0.988 338 E CA 0.276 56.701 56.400 0.043 0.000 0.828 338 E CB -0.066 29.630 29.700 -0.007 0.000 0.763 338 E HN 0.067 nan 8.360 nan 0.000 0.478 339 L N 1.818 123.096 121.223 0.092 0.000 2.011 339 L HA -0.226 4.114 4.340 -0.000 0.000 0.225 339 L C -0.772 176.158 176.870 0.099 0.000 1.084 339 L CA 2.363 57.253 54.840 0.083 0.000 0.791 339 L CB -1.166 40.938 42.059 0.075 0.000 0.898 339 L HN 0.051 nan 8.230 nan 0.000 0.440 340 P HA -0.154 nan 4.420 nan 0.000 0.218 340 P C 0.726 178.020 177.300 -0.009 0.000 1.149 340 P CA 1.453 64.570 63.100 0.028 0.000 0.817 340 P CB -0.110 31.572 31.700 -0.031 0.000 0.785 341 Y N -1.248 119.049 120.300 -0.004 0.000 2.461 341 Y HA 0.374 4.924 4.550 -0.000 0.000 0.277 341 Y C 1.182 177.074 175.900 -0.013 0.000 1.182 341 Y CA -0.843 57.252 58.100 -0.008 0.000 1.276 341 Y CB -1.008 37.447 38.460 -0.009 0.000 1.087 341 Y HN -0.167 nan 8.280 nan 0.000 0.519 342 A N 1.940 124.834 122.820 0.123 0.000 2.363 342 A HA 0.272 4.592 4.320 -0.000 0.000 0.270 342 A C -1.028 176.569 177.584 0.021 0.000 1.121 342 A CA -1.300 50.770 52.037 0.054 0.000 0.800 342 A CB 0.189 19.203 19.000 0.023 0.000 1.052 342 A HN 0.128 nan 8.150 nan 0.000 0.493 343 P HA -0.092 nan 4.420 nan 0.000 0.231 343 P C -0.226 177.059 177.300 -0.025 0.000 1.154 343 P CA 1.328 64.424 63.100 -0.006 0.000 0.762 343 P CB 0.063 31.758 31.700 -0.009 0.000 0.790 344 D N -1.301 119.075 120.400 -0.040 0.000 2.625 344 D HA 0.031 4.670 4.640 -0.000 0.000 0.203 344 D C 0.891 177.128 176.300 -0.106 0.000 1.230 344 D CA -0.519 53.439 54.000 -0.069 0.000 0.784 344 D CB 1.014 41.759 40.800 -0.092 0.000 1.936 344 D HN -0.356 nan 8.370 nan 0.000 0.522 345 R N 2.086 122.535 120.500 -0.085 0.000 2.133 345 R HA -0.199 4.141 4.340 -0.000 0.000 0.245 345 R C 2.094 178.194 176.300 -0.334 0.000 1.137 345 R CA 1.846 57.898 56.100 -0.081 0.000 0.947 345 R CB -0.390 29.960 30.300 0.083 0.000 0.865 345 R HN 0.550 nan 8.270 nan 0.000 0.437 346 R N 0.414 120.477 120.500 -0.727 0.000 2.066 346 R HA -0.050 4.289 4.340 -0.000 0.000 0.232 346 R C 2.420 178.350 176.300 -0.616 0.000 1.131 346 R CA 1.470 56.805 56.100 -1.276 0.000 0.955 346 R CB -0.290 29.161 30.300 -1.416 0.000 0.851 346 R HN 0.157 nan 8.270 nan 0.000 0.432 347 M N 0.249 119.626 119.600 -0.372 0.000 2.082 347 M HA -0.155 4.325 4.480 -0.000 0.000 0.258 347 M C 2.011 178.220 176.300 -0.150 0.000 1.069 347 M CA 2.358 57.530 55.300 -0.213 0.000 1.102 347 M CB -0.488 32.029 32.600 -0.139 0.000 1.336 347 M HN 0.415 nan 8.290 nan 0.000 0.404 348 G N -0.707 108.018 108.800 -0.125 0.000 2.459 348 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 348 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 348 G C 1.294 176.164 174.900 -0.050 0.000 1.183 348 G CA 1.124 46.187 45.100 -0.061 0.000 0.776 348 G HN 0.417 nan 8.290 nan 0.000 0.552 349 V N 0.918 120.794 119.914 -0.064 0.000 2.469 349 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 349 V C 2.676 178.758 176.094 -0.020 0.000 1.064 349 V CA 2.286 64.583 62.300 -0.004 0.000 1.066 349 V CB -0.532 31.331 31.823 0.066 0.000 0.667 349 V HN 0.502 nan 8.190 nan 0.000 0.461 350 E N -0.533 119.618 120.200 -0.082 0.000 2.015 350 E HA -0.257 4.093 4.350 -0.000 0.000 0.191 350 E C 2.154 178.740 176.600 -0.024 0.000 0.991 350 E CA 1.544 57.909 56.400 -0.058 0.000 0.802 350 E CB -0.284 29.356 29.700 -0.101 0.000 0.759 350 E HN 0.429 nan 8.360 nan 0.000 0.447 351 M N 0.939 120.521 119.600 -0.031 0.000 2.144 351 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 351 M C 2.122 178.428 176.300 0.008 0.000 1.067 351 M CA 1.608 56.903 55.300 -0.009 0.000 1.095 351 M CB -0.324 32.267 32.600 -0.014 0.000 1.365 351 M HN -0.019 nan 8.290 nan 0.000 0.406 352 T N 0.267 114.823 114.554 0.005 0.000 2.833 352 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 352 T C 1.707 176.430 174.700 0.038 0.000 1.054 352 T CA 1.326 63.434 62.100 0.014 0.000 1.135 352 T CB -0.255 68.620 68.868 0.011 0.000 0.869 352 T HN 0.381 nan 8.240 nan 0.000 0.466 353 L N -0.143 121.104 121.223 0.040 0.000 2.209 353 L HA 0.120 4.460 4.340 -0.000 0.000 0.207 353 L C 2.005 178.916 176.870 0.068 0.000 1.094 353 L CA 0.505 55.380 54.840 0.057 0.000 0.790 353 L CB -0.247 41.840 42.059 0.046 0.000 0.932 353 L HN 0.220 nan 8.230 nan 0.000 0.447 354 L N -0.583 120.672 121.223 0.052 0.000 2.362 354 L HA -0.144 4.196 4.340 -0.000 0.000 0.219 354 L C 2.596 179.525 176.870 0.098 0.000 1.134 354 L CA 1.191 56.068 54.840 0.061 0.000 0.807 354 L CB -0.560 41.523 42.059 0.040 0.000 0.927 354 L HN 0.145 nan 8.230 nan 0.000 0.447 355 R N -0.177 120.384 120.500 0.102 0.000 2.052 355 R HA -0.060 4.280 4.340 -0.000 0.000 0.226 355 R C 2.277 178.706 176.300 0.214 0.000 1.145 355 R CA 1.204 57.389 56.100 0.141 0.000 0.952 355 R CB -0.363 29.973 30.300 0.060 0.000 0.847 355 R HN 0.324 nan 8.270 nan 0.000 0.431 356 A N 0.931 123.867 122.820 0.192 0.000 2.139 356 A HA -0.178 4.142 4.320 -0.000 0.000 0.221 356 A C 1.894 179.690 177.584 0.354 0.000 1.159 356 A CA 1.143 53.354 52.037 0.289 0.000 0.662 356 A CB -0.340 18.855 19.000 0.326 0.000 0.796 356 A HN 0.352 nan 8.150 nan 0.000 0.463 357 L N -1.404 119.969 121.223 0.250 0.000 2.221 357 L HA 0.300 4.640 4.340 -0.000 0.000 0.202 357 L C 2.538 179.520 176.870 0.186 0.000 1.074 357 L CA 1.695 56.655 54.840 0.200 0.000 0.795 357 L CB -0.557 41.559 42.059 0.095 0.000 0.960 357 L HN 0.231 nan 8.230 nan 0.000 0.458 358 A N -1.578 121.349 122.820 0.178 0.000 2.121 358 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 358 A C 1.496 179.120 177.584 0.068 0.000 1.154 358 A CA 1.215 53.322 52.037 0.116 0.000 0.679 358 A CB -0.676 18.408 19.000 0.140 0.000 0.795 358 A HN 0.452 nan 8.150 nan 0.000 0.458 359 F N -1.285 118.719 119.950 0.090 0.000 2.698 359 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 359 F C 0.626 176.478 175.800 0.087 0.000 1.108 359 F CA -0.837 57.202 58.000 0.064 0.000 1.263 359 F CB -0.084 38.934 39.000 0.029 0.000 1.013 359 F HN 0.298 nan 8.300 nan 0.000 0.532 360 H N 3.407 122.584 119.070 0.178 0.000 3.094 360 H HA 0.009 4.565 4.556 -0.000 0.000 0.320 360 H C -1.373 174.017 175.328 0.102 0.000 1.000 360 H CA -0.969 55.188 56.048 0.182 0.000 1.413 360 H CB 0.929 30.787 29.762 0.160 0.000 1.405 360 H HN -0.040 nan 8.280 nan 0.000 0.586 361 P HA -0.162 nan 4.420 nan 0.000 0.218 361 P C 0.981 178.221 177.300 -0.101 0.000 1.149 361 P CA 1.193 64.177 63.100 -0.194 0.000 0.817 361 P CB 0.563 32.100 31.700 -0.272 0.000 0.785 362 R N -0.843 119.594 120.500 -0.106 0.000 2.087 362 R HA 0.299 4.639 4.340 -0.000 0.000 0.216 362 R C 1.280 177.722 176.300 0.237 0.000 1.114 362 R CA 0.778 56.949 56.100 0.118 0.000 1.002 362 R CB -0.380 30.032 30.300 0.186 0.000 0.903 362 R HN 0.309 nan 8.270 nan 0.000 0.445 363 M N 1.224 121.135 119.600 0.519 0.000 2.037 363 M HA 0.329 4.809 4.480 -0.000 0.000 0.255 363 M C -2.525 173.877 176.300 0.170 0.000 0.914 363 M CA -1.717 53.723 55.300 0.233 0.000 0.986 363 M CB 2.888 35.553 32.600 0.107 0.000 1.947 363 M HN -0.197 nan 8.290 nan 0.000 0.419 364 P HA 0.262 nan 4.420 nan 0.000 0.286 364 P C -0.853 176.459 177.300 0.020 0.000 1.293 364 P CA -0.443 62.700 63.100 0.072 0.000 0.770 364 P CB 0.621 32.319 31.700 -0.004 0.000 1.206 365 L N 1.284 122.509 121.223 0.003 0.000 2.260 365 L HA 0.336 4.676 4.340 -0.000 0.000 0.289 365 L C -1.719 175.139 176.870 -0.019 0.000 1.057 365 L CA -1.732 53.105 54.840 -0.006 0.000 0.811 365 L CB 0.040 42.100 42.059 0.002 0.000 1.184 365 L HN 0.293 nan 8.230 nan 0.000 0.429 366 P HA 0.083 nan 4.420 nan 0.000 0.273 366 P C -0.686 176.602 177.300 -0.020 0.000 1.252 366 P CA -0.144 62.945 63.100 -0.018 0.000 0.809 366 P CB 0.461 32.154 31.700 -0.012 0.000 1.017 367 E N 0.104 120.292 120.200 -0.019 0.000 2.670 367 E HA 0.196 4.546 4.350 -0.000 0.000 0.349 367 E C -2.185 174.406 176.600 -0.015 0.000 0.918 367 E CA -0.851 55.538 56.400 -0.017 0.000 0.774 367 E CB 0.232 29.919 29.700 -0.023 0.000 1.409 367 E HN 0.404 nan 8.360 nan 0.000 0.397 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.094 63.100 -0.009 0.000 0.800 368 P CB 0.000 31.696 31.700 -0.007 0.000 0.726