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 2wgf_1_F DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.573 174.600 -0.045 0.000 1.055 2 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 2 S CB 0.000 63.181 63.200 -0.032 0.000 0.593 3 Q N 2.958 122.728 119.800 -0.051 0.000 2.245 3 Q HA 0.585 4.927 4.340 0.002 0.000 0.256 3 Q C -2.668 173.244 176.000 -0.146 0.000 0.942 3 Q CA -1.995 53.764 55.803 -0.075 0.000 0.896 3 Q CB 0.501 29.218 28.738 -0.034 0.000 1.272 3 Q HN 0.348 nan 8.270 nan 0.000 0.442 4 P HA 0.030 nan 4.420 nan 0.000 0.265 4 P C -1.028 175.874 177.300 -0.664 0.000 1.222 4 P CA 0.056 62.832 63.100 -0.540 0.000 0.767 4 P CB 0.640 31.847 31.700 -0.821 0.000 0.801 5 S N 0.995 116.485 115.700 -0.349 0.000 2.726 5 S HA 0.398 4.869 4.470 0.002 0.000 0.308 5 S C 1.046 175.693 174.600 0.078 0.000 1.115 5 S CA -0.516 57.656 58.200 -0.047 0.000 0.965 5 S CB 0.899 64.118 63.200 0.031 0.000 1.145 5 S HN 0.255 nan 8.310 nan 0.000 0.532 6 T N 1.038 115.789 114.554 0.327 0.000 2.995 6 T HA 0.080 4.431 4.350 0.002 0.000 0.269 6 T C 1.917 176.710 174.700 0.155 0.000 1.091 6 T CA 1.234 63.520 62.100 0.309 0.000 1.128 6 T CB -0.604 68.481 68.868 0.362 0.000 0.891 6 T HN 0.765 nan 8.240 nan 0.000 0.492 7 A N 3.023 125.900 122.820 0.095 0.000 1.930 7 A HA -0.055 4.266 4.320 0.002 0.000 0.215 7 A C 2.073 179.676 177.584 0.032 0.000 1.176 7 A CA 1.281 53.350 52.037 0.055 0.000 0.632 7 A CB -0.403 18.609 19.000 0.020 0.000 0.819 7 A HN 0.589 nan 8.150 nan 0.000 0.445 8 N N -0.995 117.709 118.700 0.006 0.000 2.398 8 N HA 0.212 4.953 4.740 0.002 0.000 0.188 8 N C 1.018 176.516 175.510 -0.020 0.000 1.122 8 N CA 1.292 54.333 53.050 -0.015 0.000 0.866 8 N CB -0.180 38.283 38.487 -0.040 0.000 0.970 8 N HN 0.801 nan 8.380 nan 0.000 0.462 9 G N -1.435 107.362 108.800 -0.005 0.000 2.175 9 G HA2 -0.231 3.730 3.960 0.002 0.000 0.244 9 G HA3 -0.231 3.730 3.960 0.002 0.000 0.244 9 G C 0.994 175.867 174.900 -0.044 0.000 0.982 9 G CA 0.264 45.364 45.100 0.000 0.000 0.641 9 G HN 0.666 nan 8.290 nan 0.000 0.527 10 G N -0.583 108.135 108.800 -0.137 0.000 2.443 10 G HA2 0.291 4.252 3.960 0.002 0.000 0.219 10 G HA3 0.291 4.252 3.960 0.002 0.000 0.219 10 G C 0.487 175.179 174.900 -0.347 0.000 1.131 10 G CA 1.017 45.938 45.100 -0.298 0.000 0.775 10 G HN 0.442 nan 8.290 nan 0.000 0.547 11 F N 0.144 120.096 119.950 0.004 0.000 2.538 11 F HA 0.526 5.054 4.527 0.002 0.000 0.325 11 F C -2.256 173.536 175.800 -0.014 0.000 1.066 11 F CA -3.393 54.587 58.000 -0.034 0.000 0.946 11 F CB 1.720 40.704 39.000 -0.028 0.000 1.199 11 F HN -0.241 nan 8.300 nan 0.000 0.473 12 P HA 0.115 nan 4.420 nan 0.000 0.276 12 P C -0.476 176.894 177.300 0.117 0.000 1.230 12 P CA -0.417 62.741 63.100 0.096 0.000 0.776 12 P CB 0.935 32.655 31.700 0.034 0.000 0.888 13 S N 2.348 118.125 115.700 0.128 0.000 2.544 13 S HA 0.131 4.602 4.470 0.002 0.000 0.290 13 S C -0.108 174.576 174.600 0.139 0.000 1.276 13 S CA -0.191 58.102 58.200 0.155 0.000 1.075 13 S CB -0.480 62.811 63.200 0.152 0.000 0.849 13 S HN 0.196 nan 8.310 nan 0.000 0.494 14 V N 6.225 126.245 119.914 0.176 0.000 2.555 14 V HA 0.673 4.794 4.120 0.002 0.000 0.302 14 V C -0.117 176.075 176.094 0.164 0.000 1.038 14 V CA -0.579 61.815 62.300 0.157 0.000 0.887 14 V CB 1.874 33.812 31.823 0.191 0.000 0.991 14 V HN 0.881 nan 8.190 nan 0.000 0.434 15 V N 2.641 122.627 119.914 0.121 0.000 2.823 15 V HA 0.742 4.864 4.120 0.002 0.000 0.312 15 V C -0.511 175.629 176.094 0.077 0.000 1.072 15 V CA -0.870 61.488 62.300 0.096 0.000 0.937 15 V CB 1.861 33.693 31.823 0.015 0.000 1.013 15 V HN 0.461 nan 8.190 nan 0.000 0.430 16 V N 3.842 123.810 119.914 0.091 0.000 2.461 16 V HA 0.428 4.549 4.120 0.002 0.000 0.275 16 V C 1.324 177.416 176.094 -0.004 0.000 1.047 16 V CA 0.752 63.101 62.300 0.082 0.000 0.955 16 V CB 0.853 32.763 31.823 0.144 0.000 0.988 16 V HN 1.206 nan 8.190 nan 0.000 0.471 17 T N 0.602 115.150 114.554 -0.011 0.000 2.969 17 T HA 0.609 4.960 4.350 0.002 0.000 0.258 17 T C 0.311 174.979 174.700 -0.054 0.000 0.962 17 T CA 0.498 62.563 62.100 -0.059 0.000 0.903 17 T CB 0.676 69.508 68.868 -0.060 0.000 1.177 17 T HN 0.942 nan 8.240 nan 0.000 0.511 18 A N 1.166 123.973 122.820 -0.022 0.000 2.587 18 A HA 0.823 5.144 4.320 0.002 0.000 0.293 18 A C -1.348 176.236 177.584 0.000 0.000 1.087 18 A CA -0.684 51.341 52.037 -0.021 0.000 0.692 18 A CB 1.898 20.888 19.000 -0.016 0.000 1.291 18 A HN 1.080 nan 8.150 nan 0.000 0.407 19 V N -1.643 118.264 119.914 -0.012 0.000 2.777 19 V HA 0.882 5.003 4.120 0.002 0.000 0.306 19 V C -0.613 175.482 176.094 0.002 0.000 1.112 19 V CA -0.126 62.171 62.300 -0.006 0.000 0.917 19 V CB 1.018 32.812 31.823 -0.049 0.000 1.018 19 V HN 1.296 nan 8.190 nan 0.000 0.426 20 T N 2.701 117.269 114.554 0.024 0.000 2.907 20 T HA 0.948 5.299 4.350 0.002 0.000 0.292 20 T C -0.536 174.183 174.700 0.032 0.000 1.043 20 T CA 0.312 62.429 62.100 0.028 0.000 1.003 20 T CB 1.609 70.501 68.868 0.040 0.000 1.084 20 T HN 2.297 nan 8.240 nan 0.000 0.483 21 A N 2.020 124.862 122.820 0.036 0.000 2.590 21 A HA 0.644 4.965 4.320 0.002 0.000 0.296 21 A C -0.573 177.045 177.584 0.057 0.000 1.050 21 A CA -0.639 51.426 52.037 0.047 0.000 0.697 21 A CB 1.572 20.602 19.000 0.050 0.000 1.277 21 A HN 0.817 nan 8.150 nan 0.000 0.411 22 T N 0.665 115.258 114.554 0.066 0.000 2.885 22 T HA 0.861 5.212 4.350 0.002 0.000 0.285 22 T C -0.005 174.751 174.700 0.094 0.000 1.019 22 T CA 0.538 62.687 62.100 0.081 0.000 1.010 22 T CB 1.237 70.157 68.868 0.087 0.000 1.022 22 T HN 2.048 nan 8.240 nan 0.000 0.466 23 T N -0.416 114.199 114.554 0.102 0.000 2.778 23 T HA 0.436 4.787 4.350 0.002 0.000 0.293 23 T C 1.351 176.121 174.700 0.118 0.000 1.144 23 T CA 0.041 62.205 62.100 0.105 0.000 1.010 23 T CB 0.917 69.845 68.868 0.100 0.000 1.325 23 T HN 0.564 nan 8.240 nan 0.000 0.515 24 S N -0.196 115.578 115.700 0.122 0.000 2.474 24 S HA 0.042 4.513 4.470 0.002 0.000 0.235 24 S C 1.758 176.435 174.600 0.128 0.000 0.997 24 S CA 0.378 58.667 58.200 0.148 0.000 0.949 24 S CB -0.869 62.425 63.200 0.158 0.000 0.766 24 S HN 0.610 nan 8.310 nan 0.000 0.517 25 I N 0.466 121.098 120.570 0.105 0.000 2.296 25 I HA 0.102 4.273 4.170 0.002 0.000 0.242 25 I C 1.266 177.429 176.117 0.078 0.000 1.087 25 I CA 0.759 62.111 61.300 0.085 0.000 1.393 25 I CB 0.125 38.172 38.000 0.079 0.000 1.093 25 I HN 0.415 nan 8.210 nan 0.000 0.421 26 S N -1.151 114.600 115.700 0.085 0.000 2.595 26 S HA 0.299 4.770 4.470 0.002 0.000 0.270 26 S C -2.317 172.335 174.600 0.087 0.000 1.145 26 S CA -0.967 57.281 58.200 0.080 0.000 0.825 26 S CB 1.629 64.872 63.200 0.072 0.000 1.107 26 S HN -0.173 nan 8.310 nan 0.000 0.461 27 P HA 0.087 nan 4.420 nan 0.000 0.225 27 P C -0.136 177.204 177.300 0.066 0.000 1.156 27 P CA 0.757 63.909 63.100 0.086 0.000 0.787 27 P CB -0.299 31.461 31.700 0.100 0.000 0.802 28 D N -0.162 120.277 120.400 0.065 0.000 2.280 28 D HA 0.097 4.738 4.640 0.002 0.000 0.236 28 D C 1.013 177.356 176.300 0.072 0.000 1.082 28 D CA -0.685 53.349 54.000 0.058 0.000 0.834 28 D CB 0.629 41.461 40.800 0.052 0.000 1.100 28 D HN -0.271 nan 8.370 nan 0.000 0.486 29 I N 3.553 124.161 120.570 0.063 0.000 2.335 29 I HA -0.195 3.976 4.170 0.002 0.000 0.251 29 I C 1.529 177.715 176.117 0.116 0.000 1.129 29 I CA 1.644 62.990 61.300 0.076 0.000 1.402 29 I CB 0.013 38.033 38.000 0.033 0.000 1.069 29 I HN 0.456 nan 8.210 nan 0.000 0.424 30 E N 0.034 120.291 120.200 0.094 0.000 2.051 30 E HA -0.085 4.266 4.350 0.002 0.000 0.189 30 E C 2.345 179.046 176.600 0.168 0.000 0.979 30 E CA 1.342 57.822 56.400 0.134 0.000 0.803 30 E CB -0.538 29.210 29.700 0.080 0.000 0.761 30 E HN 0.446 nan 8.360 nan 0.000 0.451 31 S N 0.832 116.600 115.700 0.114 0.000 2.383 31 S HA -0.121 4.350 4.470 0.002 0.000 0.229 31 S C 2.119 176.782 174.600 0.104 0.000 1.030 31 S CA 1.536 59.794 58.200 0.095 0.000 1.002 31 S CB -0.358 62.885 63.200 0.071 0.000 0.829 31 S HN 0.278 nan 8.310 nan 0.000 0.467 32 T N 1.025 115.655 114.554 0.126 0.000 2.708 32 T HA -0.133 4.219 4.350 0.002 0.000 0.266 32 T C 1.310 176.112 174.700 0.170 0.000 1.037 32 T CA 1.013 63.193 62.100 0.133 0.000 1.146 32 T CB -0.316 68.637 68.868 0.141 0.000 0.865 32 T HN 0.621 nan 8.240 nan 0.000 0.435 33 W N 2.157 123.466 121.300 0.014 0.000 2.374 33 W HA -0.089 4.572 4.660 0.001 0.000 0.288 33 W C 1.728 178.244 176.519 -0.006 0.000 1.218 33 W CA 1.016 58.361 57.345 -0.000 0.000 1.245 33 W CB -0.053 29.400 29.460 -0.011 0.000 1.126 33 W HN 0.295 nan 8.180 nan 0.000 0.545 34 K N -0.498 119.943 120.400 0.069 0.000 2.116 34 K HA -0.035 4.286 4.320 0.002 0.000 0.203 34 K C 2.337 178.898 176.600 -0.065 0.000 1.052 34 K CA 1.143 57.416 56.287 -0.024 0.000 0.952 34 K CB -0.709 31.822 32.500 0.051 0.000 0.729 34 K HN 0.127 nan 8.250 nan 0.000 0.446 35 G N 1.770 110.556 108.800 -0.023 0.000 2.402 35 G HA2 -0.204 3.757 3.960 0.002 0.000 0.216 35 G HA3 -0.204 3.757 3.960 0.002 0.000 0.216 35 G C 1.531 176.393 174.900 -0.064 0.000 1.162 35 G CA 0.454 45.541 45.100 -0.022 0.000 0.777 35 G HN 0.049 nan 8.290 nan 0.000 0.539 36 L N -0.139 121.021 121.223 -0.104 0.000 1.989 36 L HA -0.050 4.291 4.340 0.002 0.000 0.211 36 L C 2.900 179.616 176.870 -0.257 0.000 1.071 36 L CA 0.774 55.520 54.840 -0.156 0.000 0.749 36 L CB -0.518 41.423 42.059 -0.196 0.000 0.890 36 L HN 0.159 nan 8.230 nan 0.000 0.431 37 L N -0.235 120.746 121.223 -0.404 0.000 2.127 37 L HA -0.203 4.138 4.340 0.002 0.000 0.211 37 L C 2.519 179.267 176.870 -0.204 0.000 1.089 37 L CA 1.114 55.718 54.840 -0.394 0.000 0.757 37 L CB -0.604 41.189 42.059 -0.445 0.000 0.899 37 L HN 0.258 nan 8.230 nan 0.000 0.434 38 A N -0.576 122.161 122.820 -0.138 0.000 2.238 38 A HA 0.311 4.632 4.320 0.002 0.000 0.208 38 A C 1.639 179.190 177.584 -0.054 0.000 1.177 38 A CA 0.650 52.644 52.037 -0.073 0.000 0.804 38 A CB -0.473 18.500 19.000 -0.045 0.000 0.823 38 A HN 0.501 nan 8.150 nan 0.000 0.482 39 G N -0.248 108.512 108.800 -0.067 0.000 2.171 39 G HA2 -0.210 3.751 3.960 0.002 0.000 0.238 39 G HA3 -0.210 3.751 3.960 0.002 0.000 0.238 39 G C -0.192 174.702 174.900 -0.009 0.000 1.039 39 G CA 0.294 45.374 45.100 -0.033 0.000 0.759 39 G HN 0.630 nan 8.290 nan 0.000 0.501 40 E N -0.230 119.963 120.200 -0.012 0.000 2.345 40 E HA 0.593 4.944 4.350 0.002 0.000 0.259 40 E C 0.211 176.827 176.600 0.027 0.000 1.117 40 E CA 0.218 56.624 56.400 0.010 0.000 0.913 40 E CB 1.305 31.011 29.700 0.010 0.000 1.057 40 E HN 0.240 nan 8.360 nan 0.000 0.432 41 S N -0.905 114.819 115.700 0.040 0.000 2.549 41 S HA 0.495 4.966 4.470 0.002 0.000 0.280 41 S C 0.341 174.987 174.600 0.077 0.000 1.109 41 S CA -0.308 57.924 58.200 0.054 0.000 0.905 41 S CB 1.618 64.848 63.200 0.050 0.000 1.081 41 S HN 0.573 nan 8.310 nan 0.000 0.477 42 G N 2.441 111.296 108.800 0.091 0.000 2.744 42 G HA2 0.173 4.134 3.960 0.002 0.000 0.211 42 G HA3 0.173 4.134 3.960 0.002 0.000 0.211 42 G C 0.347 175.369 174.900 0.203 0.000 1.146 42 G CA 0.010 45.192 45.100 0.138 0.000 0.787 42 G HN 0.618 nan 8.290 nan 0.000 0.534 43 I N 2.640 123.277 120.570 0.111 0.000 2.533 43 I HA 0.276 4.447 4.170 0.002 0.000 0.284 43 I C 0.389 176.555 176.117 0.082 0.000 1.109 43 I CA -0.630 60.689 61.300 0.032 0.000 1.412 43 I CB -0.507 37.490 38.000 -0.005 0.000 1.396 43 I HN 0.426 nan 8.210 nan 0.000 0.543 44 H N 3.318 122.398 119.070 0.018 0.000 2.931 44 H HA 0.858 5.415 4.556 0.002 0.000 0.331 44 H C -0.363 174.972 175.328 0.011 0.000 1.273 44 H CA -1.212 54.847 56.048 0.019 0.000 1.171 44 H CB 0.747 30.530 29.762 0.035 0.000 1.898 44 H HN 0.626 nan 8.280 nan 0.000 0.562 45 A N 0.842 123.739 122.820 0.129 0.000 2.445 45 A HA 0.333 4.654 4.320 0.002 0.000 0.242 45 A C -0.283 177.366 177.584 0.108 0.000 1.075 45 A CA -0.477 51.599 52.037 0.064 0.000 0.777 45 A CB -0.247 18.795 19.000 0.069 0.000 1.013 45 A HN 0.574 nan 8.150 nan 0.000 0.493 46 L N 2.055 123.288 121.223 0.015 0.000 2.255 46 L HA 0.258 4.599 4.340 0.002 0.000 0.289 46 L C 0.636 177.515 176.870 0.014 0.000 1.046 46 L CA -0.295 54.561 54.840 0.027 0.000 0.816 46 L CB 1.084 43.107 42.059 -0.060 0.000 1.197 46 L HN 0.777 nan 8.230 nan 0.000 0.427 47 E N 1.027 121.265 120.200 0.063 0.000 2.479 47 E HA 0.023 4.374 4.350 0.002 0.000 0.193 47 E C -0.368 176.181 176.600 -0.086 0.000 1.049 47 E CA 0.077 56.474 56.400 -0.004 0.000 0.870 47 E CB 0.068 29.782 29.700 0.024 0.000 0.944 47 E HN 0.648 nan 8.360 nan 0.000 0.492 48 D N 2.000 122.297 120.400 -0.171 0.000 2.472 48 D HA -0.053 4.588 4.640 0.002 0.000 0.248 48 D C 0.928 176.998 176.300 -0.383 0.000 1.174 48 D CA 0.305 54.099 54.000 -0.343 0.000 0.883 48 D CB 0.648 41.002 40.800 -0.744 0.000 1.149 48 D HN -0.166 nan 8.370 nan 0.000 0.488 49 E N 1.963 122.066 120.200 -0.162 0.000 2.533 49 E HA -0.102 4.249 4.350 0.002 0.000 0.201 49 E C 1.325 177.918 176.600 -0.011 0.000 1.097 49 E CA 0.172 56.523 56.400 -0.081 0.000 0.887 49 E CB -0.140 29.542 29.700 -0.030 0.000 0.855 49 E HN 0.653 nan 8.360 nan 0.000 0.540 50 F N -1.886 118.116 119.950 0.087 0.000 2.512 50 F HA 0.034 4.562 4.527 0.002 0.000 0.296 50 F C 1.773 177.700 175.800 0.212 0.000 1.110 50 F CA 0.050 58.139 58.000 0.149 0.000 1.446 50 F CB -0.872 38.290 39.000 0.269 0.000 1.092 50 F HN -0.197 nan 8.300 nan 0.000 0.554 51 V N 1.294 121.132 119.914 -0.127 0.000 2.490 51 V HA -0.236 3.885 4.120 0.002 0.000 0.250 51 V C 2.508 178.663 176.094 0.102 0.000 1.061 51 V CA 2.439 64.757 62.300 0.031 0.000 1.064 51 V CB -1.193 30.537 31.823 -0.156 0.000 0.670 51 V HN 0.678 nan 8.190 nan 0.000 0.461 52 T N -1.869 112.704 114.554 0.032 0.000 3.044 52 T HA 0.005 4.356 4.350 0.002 0.000 0.250 52 T C 1.645 176.343 174.700 -0.003 0.000 1.081 52 T CA 0.630 62.742 62.100 0.019 0.000 1.040 52 T CB -0.017 68.843 68.868 -0.013 0.000 0.962 52 T HN 0.634 nan 8.240 nan 0.000 0.506 53 K N 0.060 120.436 120.400 -0.039 0.000 2.211 53 K HA 0.067 4.388 4.320 0.002 0.000 0.201 53 K C 1.151 177.571 176.600 -0.301 0.000 1.052 53 K CA 0.105 56.261 56.287 -0.219 0.000 0.973 53 K CB -0.313 31.977 32.500 -0.350 0.000 0.766 53 K HN 0.492 nan 8.250 nan 0.000 0.466 54 W N 2.679 124.049 121.300 0.117 0.000 3.316 54 W HA 0.137 4.798 4.660 0.002 0.000 0.327 54 W C -0.503 176.065 176.519 0.082 0.000 1.232 54 W CA -0.655 56.751 57.345 0.102 0.000 1.805 54 W CB 0.262 29.801 29.460 0.133 0.000 1.090 54 W HN 0.149 nan 8.180 nan 0.000 0.654 55 D N 2.011 122.540 120.400 0.216 0.000 3.061 55 D HA -0.213 4.428 4.640 0.002 0.000 0.203 55 D C -0.164 176.238 176.300 0.169 0.000 1.245 55 D CA 0.737 54.826 54.000 0.149 0.000 0.812 55 D CB -0.576 40.283 40.800 0.097 0.000 0.857 55 D HN 0.143 nan 8.370 nan 0.000 0.387 56 L N 1.241 122.576 121.223 0.186 0.000 2.417 56 L HA 0.367 4.708 4.340 0.002 0.000 0.268 56 L C 1.984 178.909 176.870 0.091 0.000 1.158 56 L CA -0.165 54.772 54.840 0.161 0.000 0.819 56 L CB 0.803 42.981 42.059 0.198 0.000 1.112 56 L HN 0.362 nan 8.230 nan 0.000 0.458 57 A N 3.164 126.022 122.820 0.065 0.000 1.897 57 A HA 0.023 4.344 4.320 0.002 0.000 0.215 57 A C 0.830 178.419 177.584 0.008 0.000 1.181 57 A CA 0.601 52.655 52.037 0.028 0.000 0.620 57 A CB -0.143 18.864 19.000 0.011 0.000 0.821 57 A HN 0.417 nan 8.150 nan 0.000 0.443 58 V N 0.797 120.716 119.914 0.009 0.000 2.408 58 V HA 0.193 4.314 4.120 0.002 0.000 0.267 58 V C 0.454 176.558 176.094 0.017 0.000 1.047 58 V CA 0.162 62.452 62.300 -0.016 0.000 0.937 58 V CB 0.849 32.642 31.823 -0.049 0.000 0.999 58 V HN 0.442 nan 8.190 nan 0.000 0.472 59 K N 5.239 125.635 120.400 -0.008 0.000 2.564 59 K HA 0.441 4.762 4.320 0.002 0.000 0.205 59 K C -0.027 176.553 176.600 -0.033 0.000 1.053 59 K CA -0.037 56.247 56.287 -0.005 0.000 1.072 59 K CB 0.540 33.041 32.500 0.000 0.000 0.822 59 K HN 0.776 nan 8.250 nan 0.000 0.497 60 I N -4.228 116.308 120.570 -0.056 0.000 3.322 60 I HA 0.858 5.029 4.170 0.002 0.000 0.313 60 I C -0.302 175.732 176.117 -0.138 0.000 1.129 60 I CA -0.982 60.255 61.300 -0.106 0.000 0.963 60 I CB 2.157 40.106 38.000 -0.086 0.000 1.273 60 I HN 0.076 nan 8.210 nan 0.000 0.473 61 G N 0.036 108.697 108.800 -0.233 0.000 2.347 61 G HA2 0.422 4.383 3.960 0.002 0.000 0.321 61 G HA3 0.422 4.383 3.960 0.002 0.000 0.321 61 G C -1.118 173.502 174.900 -0.468 0.000 1.412 61 G CA -0.311 44.663 45.100 -0.211 0.000 0.990 61 G HN 1.174 nan 8.290 nan 0.000 0.637 62 G N 0.169 108.821 108.800 -0.246 0.000 2.788 62 G HA2 0.582 4.543 3.960 0.002 0.000 0.327 62 G HA3 0.582 4.543 3.960 0.002 0.000 0.327 62 G C -0.156 174.769 174.900 0.040 0.000 1.249 62 G CA -0.498 44.542 45.100 -0.101 0.000 1.063 62 G HN 0.659 nan 8.290 nan 0.000 0.497 63 H N 1.427 120.674 119.070 0.295 0.000 2.836 63 H HA 0.061 4.618 4.556 0.002 0.000 0.368 63 H C 0.950 176.396 175.328 0.196 0.000 1.164 63 H CA 0.233 56.416 56.048 0.226 0.000 1.425 63 H CB 1.221 31.130 29.762 0.245 0.000 1.414 63 H HN 0.271 nan 8.280 nan 0.000 0.614 64 L N 2.200 123.594 121.223 0.286 0.000 2.514 64 L HA -0.103 4.239 4.340 0.002 0.000 0.280 64 L C 1.816 178.787 176.870 0.168 0.000 1.223 64 L CA 0.003 54.964 54.840 0.201 0.000 0.864 64 L CB 0.327 42.501 42.059 0.192 0.000 1.118 64 L HN 0.510 nan 8.230 nan 0.000 0.494 65 K N 1.454 121.933 120.400 0.131 0.000 2.057 65 K HA -0.127 4.194 4.320 0.002 0.000 0.207 65 K C 0.172 176.818 176.600 0.076 0.000 1.049 65 K CA 1.370 57.710 56.287 0.088 0.000 0.931 65 K CB -0.062 32.484 32.500 0.077 0.000 0.714 65 K HN 0.546 nan 8.250 nan 0.000 0.440 66 D N 0.377 120.837 120.400 0.100 0.000 2.453 66 D HA 0.269 4.910 4.640 0.002 0.000 0.238 66 D C -2.679 173.688 176.300 0.112 0.000 1.088 66 D CA -2.533 51.527 54.000 0.100 0.000 0.854 66 D CB 1.093 41.986 40.800 0.155 0.000 1.076 66 D HN -0.082 nan 8.370 nan 0.000 0.533 67 P HA -0.052 nan 4.420 nan 0.000 0.262 67 P C 1.086 178.438 177.300 0.086 0.000 1.182 67 P CA -0.289 62.859 63.100 0.081 0.000 0.761 67 P CB 1.049 32.762 31.700 0.022 0.000 0.795 68 V N 2.665 122.660 119.914 0.135 0.000 2.343 68 V HA -0.237 3.884 4.120 0.002 0.000 0.247 68 V C 1.396 177.516 176.094 0.042 0.000 1.051 68 V CA 2.109 64.448 62.300 0.065 0.000 1.036 68 V CB -0.805 30.899 31.823 -0.198 0.000 0.654 68 V HN 0.547 nan 8.190 nan 0.000 0.451 69 D N -0.091 120.327 120.400 0.029 0.000 2.310 69 D HA -0.100 4.541 4.640 0.002 0.000 0.212 69 D C 2.310 178.592 176.300 -0.030 0.000 0.965 69 D CA 1.313 55.323 54.000 0.016 0.000 0.879 69 D CB -0.269 40.571 40.800 0.066 0.000 0.921 69 D HN 0.615 nan 8.370 nan 0.000 0.510 70 S N -0.256 115.377 115.700 -0.112 0.000 2.419 70 S HA -0.214 4.257 4.470 0.002 0.000 0.235 70 S C 1.238 175.650 174.600 -0.314 0.000 1.019 70 S CA 0.990 59.039 58.200 -0.252 0.000 0.982 70 S CB -0.604 62.367 63.200 -0.382 0.000 0.789 70 S HN 0.451 nan 8.310 nan 0.000 0.490 71 H N 0.037 119.107 119.070 0.001 0.000 2.542 71 H HA 0.451 5.008 4.556 0.002 0.000 0.283 71 H C -0.088 175.235 175.328 -0.008 0.000 1.059 71 H CA -0.302 55.744 56.048 -0.002 0.000 1.162 71 H CB 0.140 29.899 29.762 -0.005 0.000 1.539 71 H HN 0.305 nan 8.280 nan 0.000 0.543 72 M N 0.855 120.493 119.600 0.062 0.000 2.364 72 M HA 0.379 4.860 4.480 0.002 0.000 0.334 72 M C 0.797 177.111 176.300 0.023 0.000 1.107 72 M CA -0.561 54.762 55.300 0.037 0.000 0.988 72 M CB 1.722 34.332 32.600 0.016 0.000 1.673 72 M HN 0.246 nan 8.290 nan 0.000 0.441 73 G N 1.713 110.526 108.800 0.021 0.000 2.504 73 G HA2 0.424 4.385 3.960 0.002 0.000 0.288 73 G HA3 0.424 4.385 3.960 0.002 0.000 0.288 73 G C 0.884 175.792 174.900 0.013 0.000 1.182 73 G CA -0.670 44.440 45.100 0.016 0.000 0.894 73 G HN 0.874 nan 8.290 nan 0.000 0.521 74 R N 0.080 120.587 120.500 0.012 0.000 2.185 74 R HA -0.107 4.235 4.340 0.002 0.000 0.247 74 R C 1.763 178.069 176.300 0.011 0.000 1.159 74 R CA 0.750 56.857 56.100 0.012 0.000 0.988 74 R CB -0.440 29.866 30.300 0.011 0.000 0.871 74 R HN 0.404 nan 8.270 nan 0.000 0.458 75 L N 1.497 122.726 121.223 0.010 0.000 2.044 75 L HA -0.097 4.244 4.340 0.002 0.000 0.205 75 L C 1.194 178.069 176.870 0.007 0.000 1.075 75 L CA 1.901 56.745 54.840 0.008 0.000 0.747 75 L CB -0.515 41.548 42.059 0.006 0.000 0.903 75 L HN 0.158 nan 8.230 nan 0.000 0.435 76 D N -0.486 119.918 120.400 0.007 0.000 2.224 76 D HA -0.144 4.497 4.640 0.002 0.000 0.205 76 D C 2.231 178.536 176.300 0.008 0.000 0.965 76 D CA 0.698 54.700 54.000 0.003 0.000 0.852 76 D CB 0.078 40.877 40.800 -0.001 0.000 0.947 76 D HN 0.242 nan 8.370 nan 0.000 0.494 77 M N 0.258 119.866 119.600 0.014 0.000 2.460 77 M HA -0.084 4.397 4.480 0.002 0.000 0.263 77 M C 1.756 178.071 176.300 0.025 0.000 1.071 77 M CA 1.014 56.328 55.300 0.023 0.000 1.096 77 M CB -0.335 32.280 32.600 0.025 0.000 1.408 77 M HN 0.112 nan 8.290 nan 0.000 0.463 78 R N -0.024 120.488 120.500 0.019 0.000 2.446 78 R HA 0.130 4.471 4.340 0.002 0.000 0.254 78 R C 1.631 177.941 176.300 0.016 0.000 0.918 78 R CA 0.154 56.265 56.100 0.019 0.000 1.069 78 R CB -0.022 30.288 30.300 0.016 0.000 1.194 78 R HN 0.356 nan 8.270 nan 0.000 0.534 79 R N -0.375 120.132 120.500 0.012 0.000 2.419 79 R HA 0.412 4.753 4.340 0.002 0.000 0.235 79 R C 0.012 176.316 176.300 0.007 0.000 0.899 79 R CA -0.203 55.902 56.100 0.008 0.000 1.048 79 R CB 0.407 30.709 30.300 0.004 0.000 1.182 79 R HN 0.098 nan 8.270 nan 0.000 0.544 80 M N 1.181 120.786 119.600 0.008 0.000 2.716 80 M HA 0.363 4.844 4.480 0.002 0.000 0.307 80 M C -0.482 175.831 176.300 0.022 0.000 1.223 80 M CA -1.134 54.170 55.300 0.006 0.000 0.871 80 M CB 2.525 35.120 32.600 -0.008 0.000 1.739 80 M HN 0.152 nan 8.290 nan 0.000 0.475 81 S N -0.406 115.310 115.700 0.027 0.000 2.707 81 S HA 0.249 4.720 4.470 0.002 0.000 0.276 81 S C 0.542 175.190 174.600 0.079 0.000 1.179 81 S CA -0.597 57.639 58.200 0.061 0.000 0.992 81 S CB 0.617 63.853 63.200 0.059 0.000 1.030 81 S HN 0.782 nan 8.310 nan 0.000 0.554 82 Y N 1.065 121.371 120.300 0.009 0.000 2.224 82 Y HA -0.123 4.428 4.550 0.002 0.000 0.289 82 Y C 2.148 178.055 175.900 0.013 0.000 1.146 82 Y CA 2.017 60.125 58.100 0.014 0.000 1.182 82 Y CB -0.438 38.030 38.460 0.013 0.000 0.983 82 Y HN 0.520 nan 8.280 nan 0.000 0.524 83 V N -1.784 118.229 119.914 0.164 0.000 2.871 83 V HA -0.168 3.953 4.120 0.002 0.000 0.256 83 V C 1.725 177.811 176.094 -0.013 0.000 1.082 83 V CA 1.664 64.016 62.300 0.086 0.000 1.105 83 V CB -0.625 31.261 31.823 0.106 0.000 0.713 83 V HN 0.463 nan 8.190 nan 0.000 0.473 84 Q N 0.437 120.225 119.800 -0.019 0.000 2.062 84 Q HA -0.039 4.302 4.340 0.002 0.000 0.196 84 Q C 2.517 178.472 176.000 -0.075 0.000 0.967 84 Q CA 1.513 57.293 55.803 -0.039 0.000 0.832 84 Q CB -0.234 28.491 28.738 -0.022 0.000 0.899 84 Q HN 0.595 nan 8.270 nan 0.000 0.442 85 R N 0.645 121.080 120.500 -0.108 0.000 2.096 85 R HA -0.160 4.181 4.340 0.002 0.000 0.240 85 R C 2.299 178.488 176.300 -0.184 0.000 1.139 85 R CA 1.706 57.719 56.100 -0.145 0.000 0.952 85 R CB -0.438 29.753 30.300 -0.182 0.000 0.854 85 R HN 0.327 nan 8.270 nan 0.000 0.436 86 M N 0.226 119.657 119.600 -0.281 0.000 2.213 86 M HA -0.080 4.401 4.480 0.002 0.000 0.263 86 M C 1.972 178.215 176.300 -0.096 0.000 1.062 86 M CA 2.013 57.184 55.300 -0.216 0.000 1.105 86 M CB -0.159 32.305 32.600 -0.227 0.000 1.385 86 M HN 0.221 nan 8.290 nan 0.000 0.417 87 G N 0.463 109.217 108.800 -0.076 0.000 2.394 87 G HA2 -0.215 3.746 3.960 0.002 0.000 0.214 87 G HA3 -0.215 3.746 3.960 0.002 0.000 0.214 87 G C 1.506 176.379 174.900 -0.046 0.000 1.176 87 G CA 0.875 45.948 45.100 -0.045 0.000 0.786 87 G HN 0.534 nan 8.290 nan 0.000 0.533 88 K N -0.263 120.105 120.400 -0.054 0.000 2.103 88 K HA -0.082 4.239 4.320 0.002 0.000 0.207 88 K C 2.353 178.928 176.600 -0.042 0.000 1.048 88 K CA 1.182 57.441 56.287 -0.047 0.000 0.930 88 K CB -0.223 32.251 32.500 -0.044 0.000 0.716 88 K HN 0.250 nan 8.250 nan 0.000 0.444 89 L N 1.530 122.722 121.223 -0.052 0.000 1.988 89 L HA -0.099 4.242 4.340 0.002 0.000 0.207 89 L C 2.044 178.888 176.870 -0.044 0.000 1.071 89 L CA 1.565 56.371 54.840 -0.056 0.000 0.744 89 L CB -0.596 41.427 42.059 -0.061 0.000 0.893 89 L HN 0.229 nan 8.230 nan 0.000 0.433 90 L N -0.794 120.412 121.223 -0.028 0.000 2.141 90 L HA -0.103 4.238 4.340 0.002 0.000 0.209 90 L C 2.440 179.322 176.870 0.021 0.000 1.094 90 L CA 1.067 55.906 54.840 -0.002 0.000 0.763 90 L CB -1.285 40.780 42.059 0.010 0.000 0.908 90 L HN 0.490 nan 8.230 nan 0.000 0.437 91 G N -0.066 108.739 108.800 0.009 0.000 2.433 91 G HA2 -0.207 3.754 3.960 0.002 0.000 0.216 91 G HA3 -0.207 3.754 3.960 0.002 0.000 0.216 91 G C 1.572 176.506 174.900 0.056 0.000 1.186 91 G CA 0.752 45.864 45.100 0.020 0.000 0.779 91 G HN 0.462 nan 8.290 nan 0.000 0.543 92 G N 0.319 109.137 108.800 0.031 0.000 2.459 92 G HA2 -0.234 3.727 3.960 0.002 0.000 0.217 92 G HA3 -0.234 3.727 3.960 0.002 0.000 0.217 92 G C 1.829 176.789 174.900 0.100 0.000 1.183 92 G CA 1.229 46.367 45.100 0.065 0.000 0.776 92 G HN 0.520 nan 8.290 nan 0.000 0.552 93 Q N -0.544 119.285 119.800 0.048 0.000 2.096 93 Q HA -0.086 4.255 4.340 0.002 0.000 0.204 93 Q C 2.523 178.567 176.000 0.074 0.000 0.982 93 Q CA 1.304 57.129 55.803 0.036 0.000 0.850 93 Q CB -0.290 28.445 28.738 -0.005 0.000 0.901 93 Q HN 0.450 nan 8.270 nan 0.000 0.422 94 L N -0.139 121.149 121.223 0.109 0.000 2.056 94 L HA -0.125 4.216 4.340 0.002 0.000 0.207 94 L C 1.926 178.915 176.870 0.200 0.000 1.078 94 L CA 1.643 56.564 54.840 0.135 0.000 0.749 94 L CB -0.543 41.609 42.059 0.155 0.000 0.901 94 L HN 0.362 nan 8.230 nan 0.000 0.433 95 W N 0.873 122.169 121.300 -0.006 0.000 2.329 95 W HA -0.301 4.360 4.660 0.002 0.000 0.324 95 W C 2.502 179.005 176.519 -0.027 0.000 1.222 95 W CA 1.876 59.210 57.345 -0.019 0.000 1.270 95 W CB -0.145 29.308 29.460 -0.010 0.000 1.167 95 W HN 0.432 nan 8.180 nan 0.000 0.467 96 E N 0.122 120.396 120.200 0.124 0.000 2.097 96 E HA -0.243 4.108 4.350 0.002 0.000 0.196 96 E C 1.986 178.553 176.600 -0.055 0.000 1.000 96 E CA 2.208 58.608 56.400 0.000 0.000 0.804 96 E CB -0.479 29.243 29.700 0.037 0.000 0.740 96 E HN 0.007 nan 8.360 nan 0.000 0.454 97 S N -0.142 115.543 115.700 -0.025 0.000 2.442 97 S HA -0.062 4.409 4.470 0.002 0.000 0.236 97 S C 1.750 176.296 174.600 -0.089 0.000 1.007 97 S CA 0.806 58.981 58.200 -0.042 0.000 0.965 97 S CB -0.012 63.180 63.200 -0.013 0.000 0.773 97 S HN 0.500 nan 8.310 nan 0.000 0.504 98 A N 0.127 122.859 122.820 -0.147 0.000 2.218 98 A HA 0.500 4.821 4.320 0.002 0.000 0.209 98 A C 1.667 179.079 177.584 -0.288 0.000 1.168 98 A CA 0.866 52.765 52.037 -0.231 0.000 0.804 98 A CB -0.488 18.313 19.000 -0.333 0.000 0.834 98 A HN 0.809 nan 8.150 nan 0.000 0.482 99 G N -1.827 106.815 108.800 -0.263 0.000 2.176 99 G HA2 -0.110 3.851 3.960 0.002 0.000 0.232 99 G HA3 -0.110 3.851 3.960 0.002 0.000 0.232 99 G C 0.413 175.120 174.900 -0.322 0.000 0.986 99 G CA 0.124 45.082 45.100 -0.238 0.000 0.643 99 G HN 1.409 nan 8.290 nan 0.000 0.522 100 S N -0.170 115.200 115.700 -0.549 0.000 3.727 100 S HA -0.110 4.361 4.470 0.002 0.000 0.444 100 S C -1.652 172.534 174.600 -0.691 0.000 0.867 100 S CA 0.678 58.420 58.200 -0.762 0.000 1.324 100 S CB -1.047 62.019 63.200 -0.223 0.000 0.890 100 S HN 0.788 nan 8.310 nan 0.000 0.599 101 P HA 0.156 nan 4.420 nan 0.000 0.267 101 P C 0.069 177.252 177.300 -0.196 0.000 1.200 101 P CA 0.222 62.994 63.100 -0.547 0.000 0.772 101 P CB 0.428 31.731 31.700 -0.661 0.000 0.855 102 E N 1.851 122.005 120.200 -0.077 0.000 2.136 102 E HA 0.203 4.554 4.350 0.002 0.000 0.246 102 E C -0.051 176.577 176.600 0.047 0.000 1.017 102 E CA -0.404 56.015 56.400 0.031 0.000 0.883 102 E CB 0.431 30.137 29.700 0.010 0.000 1.199 102 E HN 0.222 nan 8.360 nan 0.000 0.447 103 V N -1.035 118.937 119.914 0.097 0.000 2.966 103 V HA 0.399 4.520 4.120 0.002 0.000 0.317 103 V C 0.326 176.499 176.094 0.132 0.000 1.070 103 V CA -1.162 61.211 62.300 0.121 0.000 1.008 103 V CB 1.814 33.688 31.823 0.085 0.000 1.070 103 V HN 0.161 nan 8.190 nan 0.000 0.457 104 D N 2.809 123.301 120.400 0.154 0.000 2.346 104 D HA 0.300 4.941 4.640 0.002 0.000 0.260 104 D C -1.650 174.753 176.300 0.172 0.000 1.252 104 D CA -1.814 52.268 54.000 0.136 0.000 0.895 104 D CB 1.596 42.469 40.800 0.122 0.000 1.097 104 D HN 0.353 nan 8.370 nan 0.000 0.489 105 P HA -0.124 nan 4.420 nan 0.000 0.215 105 P C 0.655 178.036 177.300 0.135 0.000 1.157 105 P CA 0.898 64.118 63.100 0.199 0.000 0.868 105 P CB 0.233 32.008 31.700 0.125 0.000 0.788 106 D N -1.156 119.296 120.400 0.086 0.000 2.315 106 D HA -0.153 4.488 4.640 0.002 0.000 0.211 106 D C 1.332 177.665 176.300 0.055 0.000 0.977 106 D CA 0.969 55.000 54.000 0.052 0.000 0.894 106 D CB -0.257 40.567 40.800 0.041 0.000 0.910 106 D HN 0.157 nan 8.370 nan 0.000 0.490 107 R N -0.614 119.942 120.500 0.095 0.000 2.543 107 R HA 0.160 4.501 4.340 0.002 0.000 0.323 107 R C -0.355 176.026 176.300 0.136 0.000 1.002 107 R CA -0.418 55.731 56.100 0.081 0.000 1.106 107 R CB 0.150 30.494 30.300 0.073 0.000 1.280 107 R HN 0.078 nan 8.270 nan 0.000 0.549 108 F N 1.385 121.322 119.950 -0.021 0.000 2.449 108 F HA 0.689 5.217 4.527 0.002 0.000 0.342 108 F C -0.780 175.000 175.800 -0.034 0.000 1.127 108 F CA -2.055 55.931 58.000 -0.022 0.000 0.975 108 F CB 1.155 40.165 39.000 0.016 0.000 1.146 108 F HN -0.001 nan 8.300 nan 0.000 0.444 109 A N 4.793 127.430 122.820 -0.305 0.000 2.322 109 A HA 0.896 5.217 4.320 0.002 0.000 0.327 109 A C -1.599 175.649 177.584 -0.561 0.000 1.134 109 A CA -0.714 51.077 52.037 -0.409 0.000 0.831 109 A CB 1.639 20.546 19.000 -0.156 0.000 1.288 109 A HN 0.605 nan 8.150 nan 0.000 0.472 110 V N 0.644 120.324 119.914 -0.390 0.000 2.638 110 V HA 0.535 4.656 4.120 0.002 0.000 0.306 110 V C -1.056 174.956 176.094 -0.136 0.000 1.052 110 V CA -0.387 61.758 62.300 -0.259 0.000 0.885 110 V CB 1.813 33.462 31.823 -0.291 0.000 0.999 110 V HN 0.714 nan 8.190 nan 0.000 0.424 111 V N 5.113 124.988 119.914 -0.065 0.000 2.462 111 V HA 0.519 4.640 4.120 0.002 0.000 0.288 111 V C -0.642 175.448 176.094 -0.007 0.000 1.020 111 V CA -0.532 61.749 62.300 -0.032 0.000 0.857 111 V CB 1.692 33.521 31.823 0.009 0.000 1.013 111 V HN 0.547 nan 8.190 nan 0.000 0.431 112 V N 3.558 123.460 119.914 -0.020 0.000 2.443 112 V HA 0.750 4.871 4.120 0.002 0.000 0.293 112 V C 0.776 176.866 176.094 -0.006 0.000 1.021 112 V CA -0.284 62.013 62.300 -0.005 0.000 0.848 112 V CB 1.982 33.799 31.823 -0.011 0.000 0.998 112 V HN 0.894 nan 8.190 nan 0.000 0.424 113 G N 2.240 111.044 108.800 0.006 0.000 2.420 113 G HA2 0.589 4.550 3.960 0.002 0.000 0.284 113 G HA3 0.589 4.550 3.960 0.002 0.000 0.284 113 G C -0.361 174.542 174.900 0.007 0.000 1.177 113 G CA -0.110 44.991 45.100 0.002 0.000 0.841 113 G HN 0.673 nan 8.290 nan 0.000 0.527 114 T N -0.793 113.763 114.554 0.002 0.000 2.843 114 T HA 0.550 4.901 4.350 0.002 0.000 0.302 114 T C 1.355 176.061 174.700 0.010 0.000 1.232 114 T CA 0.460 62.567 62.100 0.012 0.000 1.009 114 T CB 1.384 70.261 68.868 0.015 0.000 1.254 114 T HN 0.625 nan 8.240 nan 0.000 0.504 115 G N 0.738 109.549 108.800 0.018 0.000 2.396 115 G HA2 0.132 4.093 3.960 0.002 0.000 0.214 115 G HA3 0.132 4.093 3.960 0.002 0.000 0.214 115 G C 0.980 175.899 174.900 0.032 0.000 1.166 115 G CA 1.274 46.389 45.100 0.025 0.000 0.793 115 G HN 0.527 nan 8.290 nan 0.000 0.533 116 L N -2.115 119.123 121.223 0.026 0.000 2.877 116 L HA 0.522 4.863 4.340 0.002 0.000 0.275 116 L C 0.856 177.735 176.870 0.014 0.000 1.027 116 L CA 1.837 56.690 54.840 0.022 0.000 1.135 116 L CB 0.353 42.429 42.059 0.027 0.000 2.080 116 L HN 0.758 nan 8.230 nan 0.000 0.560 117 G N -0.754 108.058 108.800 0.019 0.000 2.422 117 G HA2 0.134 4.095 3.960 0.002 0.000 0.607 117 G HA3 0.134 4.095 3.960 0.002 0.000 0.607 117 G C 0.178 175.095 174.900 0.029 0.000 1.270 117 G CA -0.347 44.764 45.100 0.020 0.000 0.992 117 G HN 0.765 nan 8.290 nan 0.000 0.499 118 G N 0.169 108.987 108.800 0.030 0.000 3.003 118 G HA2 0.575 4.536 3.960 0.002 0.000 0.266 118 G HA3 0.575 4.536 3.960 0.002 0.000 0.266 118 G C 1.232 176.148 174.900 0.026 0.000 0.755 118 G CA 1.325 46.449 45.100 0.040 0.000 2.061 118 G HN 1.863 nan 8.290 nan 0.000 0.599 119 A N 1.602 124.433 122.820 0.017 0.000 2.014 119 A HA -0.033 4.288 4.320 0.002 0.000 0.218 119 A C 2.255 179.840 177.584 0.003 0.000 1.163 119 A CA 1.452 53.490 52.037 0.002 0.000 0.652 119 A CB -0.053 18.943 19.000 -0.007 0.000 0.808 119 A HN 0.616 nan 8.150 nan 0.000 0.449 120 E N 0.219 120.424 120.200 0.009 0.000 2.153 120 E HA -0.235 4.116 4.350 0.002 0.000 0.194 120 E C 1.428 178.045 176.600 0.028 0.000 0.988 120 E CA 0.957 57.365 56.400 0.013 0.000 0.811 120 E CB -0.407 29.302 29.700 0.016 0.000 0.746 120 E HN 0.428 nan 8.360 nan 0.000 0.466 121 R N 0.530 121.049 120.500 0.032 0.000 2.189 121 R HA 0.140 4.481 4.340 0.002 0.000 0.218 121 R C 2.441 178.763 176.300 0.038 0.000 1.074 121 R CA 0.514 56.635 56.100 0.035 0.000 0.991 121 R CB -0.548 29.771 30.300 0.032 0.000 0.883 121 R HN 0.380 nan 8.270 nan 0.000 0.457 122 I N 0.700 121.287 120.570 0.027 0.000 2.202 122 I HA -0.214 3.957 4.170 0.002 0.000 0.242 122 I C 2.394 178.545 176.117 0.056 0.000 1.091 122 I CA 1.227 62.541 61.300 0.024 0.000 1.368 122 I CB -0.399 37.594 38.000 -0.012 0.000 1.058 122 I HN -0.057 nan 8.210 nan 0.000 0.410 123 V N -0.858 119.089 119.914 0.055 0.000 2.453 123 V HA -0.191 3.930 4.120 0.002 0.000 0.247 123 V C 2.286 178.471 176.094 0.152 0.000 1.048 123 V CA 1.796 64.165 62.300 0.116 0.000 1.049 123 V CB -0.777 31.086 31.823 0.067 0.000 0.672 123 V HN 0.569 nan 8.190 nan 0.000 0.457 124 E N 1.283 121.538 120.200 0.091 0.000 2.047 124 E HA -0.198 4.153 4.350 0.002 0.000 0.191 124 E C 2.221 178.865 176.600 0.073 0.000 0.987 124 E CA 1.820 58.263 56.400 0.071 0.000 0.799 124 E CB -0.341 29.389 29.700 0.050 0.000 0.752 124 E HN 0.639 nan 8.360 nan 0.000 0.449 125 S N 0.067 115.815 115.700 0.081 0.000 2.365 125 S HA -0.215 4.256 4.470 0.002 0.000 0.225 125 S C 1.620 176.287 174.600 0.111 0.000 1.039 125 S CA 1.537 59.784 58.200 0.078 0.000 1.033 125 S CB -0.662 62.582 63.200 0.073 0.000 0.887 125 S HN 0.484 nan 8.310 nan 0.000 0.447 126 Y N 2.327 122.628 120.300 0.003 0.000 2.097 126 Y HA -0.237 4.315 4.550 0.002 0.000 0.282 126 Y C 2.224 178.127 175.900 0.005 0.000 1.152 126 Y CA 1.816 59.918 58.100 0.002 0.000 1.136 126 Y CB -0.247 38.212 38.460 -0.001 0.000 0.975 126 Y HN 0.200 nan 8.280 nan 0.000 0.498 127 D N 0.332 120.692 120.400 -0.067 0.000 2.088 127 D HA -0.199 4.443 4.640 0.002 0.000 0.191 127 D C 2.152 178.393 176.300 -0.099 0.000 0.992 127 D CA 1.353 55.270 54.000 -0.140 0.000 0.831 127 D CB -0.454 40.330 40.800 -0.028 0.000 0.973 127 D HN 0.275 nan 8.370 nan 0.000 0.447 128 L N 0.750 121.953 121.223 -0.033 0.000 2.151 128 L HA -0.186 4.155 4.340 0.002 0.000 0.215 128 L C 2.305 179.155 176.870 -0.033 0.000 1.084 128 L CA 1.392 56.219 54.840 -0.021 0.000 0.764 128 L CB -0.786 41.275 42.059 0.004 0.000 0.891 128 L HN 0.150 nan 8.230 nan 0.000 0.435 129 M N -1.963 117.610 119.600 -0.045 0.000 2.486 129 M HA -0.046 4.435 4.480 0.002 0.000 0.264 129 M C 1.623 177.875 176.300 -0.080 0.000 1.125 129 M CA 0.743 56.018 55.300 -0.041 0.000 1.144 129 M CB 0.018 32.614 32.600 -0.006 0.000 1.353 129 M HN 0.220 nan 8.290 nan 0.000 0.466 130 N N 0.992 119.598 118.700 -0.157 0.000 2.331 130 N HA -0.014 4.727 4.740 0.002 0.000 0.180 130 N C 1.590 177.036 175.510 -0.108 0.000 1.019 130 N CA 1.346 54.290 53.050 -0.176 0.000 0.881 130 N CB -0.129 38.168 38.487 -0.318 0.000 0.972 130 N HN 0.428 nan 8.380 nan 0.000 0.435 131 A N 0.185 122.952 122.820 -0.088 0.000 1.840 131 A HA 0.143 4.464 4.320 0.002 0.000 0.214 131 A C 1.974 179.535 177.584 -0.038 0.000 1.198 131 A CA 1.772 53.776 52.037 -0.055 0.000 0.608 131 A CB -0.641 18.333 19.000 -0.043 0.000 0.839 131 A HN 0.336 nan 8.150 nan 0.000 0.443 132 G N -2.558 106.223 108.800 -0.032 0.000 3.342 132 G HA2 0.518 4.479 3.960 0.002 0.000 0.252 132 G HA3 0.518 4.479 3.960 0.002 0.000 0.252 132 G C 0.676 175.566 174.900 -0.017 0.000 1.011 132 G CA 0.619 45.706 45.100 -0.021 0.000 0.869 132 G HN 1.718 nan 8.290 nan 0.000 0.514 133 G N 0.068 108.856 108.800 -0.021 0.000 2.661 133 G HA2 -0.051 3.910 3.960 0.002 0.000 0.685 133 G HA3 -0.051 3.910 3.960 0.002 0.000 0.685 133 G C -1.496 173.400 174.900 -0.007 0.000 1.298 133 G CA -0.241 44.851 45.100 -0.013 0.000 0.855 133 G HN -0.013 nan 8.290 nan 0.000 0.560 134 P HA -0.142 nan 4.420 nan 0.000 0.218 134 P C 1.720 179.023 177.300 0.004 0.000 1.154 134 P CA 1.754 64.857 63.100 0.005 0.000 0.872 134 P CB -0.050 31.653 31.700 0.005 0.000 0.790 135 R N -1.195 119.306 120.500 0.002 0.000 2.319 135 R HA 0.047 4.388 4.340 0.002 0.000 0.204 135 R C 1.033 177.335 176.300 0.003 0.000 0.954 135 R CA 0.459 56.561 56.100 0.003 0.000 1.066 135 R CB -0.057 30.244 30.300 0.001 0.000 0.991 135 R HN 0.058 nan 8.270 nan 0.000 0.486 136 K N -0.001 120.400 120.400 0.002 0.000 2.358 136 K HA 0.141 4.463 4.320 0.002 0.000 0.197 136 K C 0.104 176.708 176.600 0.006 0.000 1.025 136 K CA 0.074 56.362 56.287 0.002 0.000 1.104 136 K CB 0.631 33.129 32.500 -0.003 0.000 0.855 136 K HN -0.121 nan 8.250 nan 0.000 0.531 137 V N 1.245 121.164 119.914 0.009 0.000 2.686 137 V HA 0.129 4.250 4.120 0.002 0.000 0.295 137 V C 0.620 176.722 176.094 0.013 0.000 1.055 137 V CA -0.650 61.659 62.300 0.015 0.000 1.050 137 V CB 1.484 33.319 31.823 0.019 0.000 0.984 137 V HN 0.120 nan 8.190 nan 0.000 0.482 138 S N 4.827 120.536 115.700 0.015 0.000 2.564 138 S HA 0.247 4.718 4.470 0.002 0.000 0.278 138 S C -1.458 173.149 174.600 0.011 0.000 1.333 138 S CA -0.990 57.217 58.200 0.013 0.000 1.048 138 S CB 0.984 64.193 63.200 0.015 0.000 0.900 138 S HN 0.652 nan 8.310 nan 0.000 0.505 139 P HA 0.129 nan 4.420 nan 0.000 0.239 139 P C 0.338 177.641 177.300 0.005 0.000 1.184 139 P CA 0.662 63.765 63.100 0.006 0.000 0.760 139 P CB 0.081 31.783 31.700 0.004 0.000 0.884 140 L N -2.422 118.805 121.223 0.007 0.000 2.766 140 L HA 0.293 4.634 4.340 0.002 0.000 0.242 140 L C 2.147 179.022 176.870 0.008 0.000 1.136 140 L CA 0.060 54.904 54.840 0.005 0.000 0.933 140 L CB -0.464 41.598 42.059 0.006 0.000 1.241 140 L HN -0.135 nan 8.230 nan 0.000 0.522 141 A N 0.508 123.334 122.820 0.011 0.000 1.884 141 A HA -0.214 4.107 4.320 0.002 0.000 0.219 141 A C 2.263 179.854 177.584 0.011 0.000 1.197 141 A CA 2.409 54.454 52.037 0.014 0.000 0.637 141 A CB -0.862 18.149 19.000 0.019 0.000 0.827 141 A HN 0.133 nan 8.150 nan 0.000 0.450 142 V N 1.220 121.138 119.914 0.007 0.000 2.252 142 V HA -0.392 3.730 4.120 0.002 0.000 0.249 142 V C 2.816 178.909 176.094 -0.001 0.000 1.056 142 V CA 2.600 64.901 62.300 0.003 0.000 1.022 142 V CB -1.225 30.598 31.823 -0.000 0.000 0.641 142 V HN 0.935 nan 8.190 nan 0.000 0.445 143 Q N -0.780 119.019 119.800 -0.002 0.000 2.297 143 Q HA -0.074 4.267 4.340 0.002 0.000 0.204 143 Q C 1.993 177.991 176.000 -0.003 0.000 0.962 143 Q CA 1.437 57.237 55.803 -0.006 0.000 0.879 143 Q CB -0.284 28.449 28.738 -0.008 0.000 0.947 143 Q HN 0.552 nan 8.270 nan 0.000 0.462 144 M N -0.022 119.580 119.600 0.003 0.000 2.388 144 M HA 0.070 4.551 4.480 0.002 0.000 0.265 144 M C 1.738 178.045 176.300 0.012 0.000 1.088 144 M CA 1.029 56.334 55.300 0.009 0.000 1.134 144 M CB 0.190 32.800 32.600 0.016 0.000 1.384 144 M HN 0.228 nan 8.290 nan 0.000 0.447 145 I N 0.270 120.845 120.570 0.009 0.000 2.703 145 I HA -0.050 4.122 4.170 0.002 0.000 0.259 145 I C 1.227 177.345 176.117 0.002 0.000 1.151 145 I CA -0.108 61.197 61.300 0.008 0.000 1.470 145 I CB 0.054 38.059 38.000 0.007 0.000 1.112 145 I HN 0.306 nan 8.210 nan 0.000 0.437 146 M N 1.723 121.321 119.600 -0.003 0.000 2.261 146 M HA 0.058 4.539 4.480 0.002 0.000 0.350 146 M C -1.973 174.322 176.300 -0.009 0.000 1.343 146 M CA -0.810 54.485 55.300 -0.009 0.000 1.003 146 M CB -0.303 32.289 32.600 -0.013 0.000 1.848 146 M HN -0.233 nan 8.290 nan 0.000 0.456 147 P HA -0.152 nan 4.420 nan 0.000 0.218 147 P C 0.645 177.934 177.300 -0.017 0.000 1.149 147 P CA 1.468 64.562 63.100 -0.010 0.000 0.817 147 P CB -0.289 31.403 31.700 -0.013 0.000 0.785 148 N N -0.480 118.205 118.700 -0.025 0.000 2.575 148 N HA -0.025 4.716 4.740 0.002 0.000 0.192 148 N C 1.644 177.134 175.510 -0.033 0.000 1.200 148 N CA 0.963 53.992 53.050 -0.034 0.000 0.897 148 N CB -1.156 37.306 38.487 -0.042 0.000 0.990 148 N HN 0.108 nan 8.380 nan 0.000 0.449 149 G N 0.566 109.353 108.800 -0.023 0.000 2.422 149 G HA2 -0.074 3.887 3.960 0.002 0.000 0.218 149 G HA3 -0.074 3.887 3.960 0.002 0.000 0.218 149 G C 1.627 176.512 174.900 -0.025 0.000 1.140 149 G CA 0.885 45.972 45.100 -0.021 0.000 0.775 149 G HN 0.527 nan 8.290 nan 0.000 0.545 150 A N 1.317 124.125 122.820 -0.020 0.000 1.854 150 A HA 0.386 4.707 4.320 0.002 0.000 0.214 150 A C 2.812 180.374 177.584 -0.037 0.000 1.192 150 A CA 2.000 54.023 52.037 -0.023 0.000 0.611 150 A CB -0.924 18.071 19.000 -0.009 0.000 0.832 150 A HN 0.774 nan 8.150 nan 0.000 0.442 151 A N -0.243 122.552 122.820 -0.041 0.000 2.024 151 A HA 0.120 4.441 4.320 0.002 0.000 0.220 151 A C 2.347 179.885 177.584 -0.077 0.000 1.164 151 A CA 2.107 54.108 52.037 -0.060 0.000 0.643 151 A CB -0.761 18.202 19.000 -0.062 0.000 0.806 151 A HN 1.025 nan 8.150 nan 0.000 0.451 152 A N -0.632 122.149 122.820 -0.065 0.000 1.970 152 A HA 0.127 4.448 4.320 0.002 0.000 0.216 152 A C 2.269 179.811 177.584 -0.069 0.000 1.170 152 A CA 1.474 53.470 52.037 -0.069 0.000 0.645 152 A CB -0.839 18.129 19.000 -0.054 0.000 0.816 152 A HN 1.111 nan 8.150 nan 0.000 0.447 153 V N -0.623 119.255 119.914 -0.059 0.000 2.719 153 V HA -0.105 4.016 4.120 0.002 0.000 0.252 153 V C 2.017 178.067 176.094 -0.074 0.000 1.065 153 V CA 1.795 64.060 62.300 -0.058 0.000 1.086 153 V CB -0.497 31.298 31.823 -0.046 0.000 0.700 153 V HN 0.481 nan 8.190 nan 0.000 0.467 154 I N 1.656 122.177 120.570 -0.081 0.000 2.193 154 I HA -0.003 4.168 4.170 0.002 0.000 0.240 154 I C 2.761 178.793 176.117 -0.141 0.000 1.084 154 I CA 1.692 62.933 61.300 -0.098 0.000 1.365 154 I CB -1.078 36.874 38.000 -0.080 0.000 1.064 154 I HN 0.410 nan 8.210 nan 0.000 0.410 155 G N 0.742 109.445 108.800 -0.162 0.000 2.448 155 G HA2 -0.205 3.756 3.960 0.002 0.000 0.219 155 G HA3 -0.205 3.756 3.960 0.002 0.000 0.219 155 G C 1.618 176.422 174.900 -0.160 0.000 1.127 155 G CA 0.428 45.396 45.100 -0.220 0.000 0.766 155 G HN 0.222 nan 8.290 nan 0.000 0.552 156 L N 0.358 121.511 121.223 -0.116 0.000 2.095 156 L HA 0.099 4.440 4.340 0.002 0.000 0.204 156 L C 2.839 179.660 176.870 -0.082 0.000 1.080 156 L CA 2.239 57.028 54.840 -0.085 0.000 0.759 156 L CB -0.583 41.437 42.059 -0.066 0.000 0.914 156 L HN 0.438 nan 8.230 nan 0.000 0.439 157 Q N -1.210 118.533 119.800 -0.095 0.000 2.167 157 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 157 Q C 1.562 177.471 176.000 -0.151 0.000 0.970 157 Q CA 1.641 57.384 55.803 -0.100 0.000 0.855 157 Q CB -0.056 28.625 28.738 -0.095 0.000 0.911 157 Q HN 0.442 nan 8.270 nan 0.000 0.438 158 L N -0.312 120.793 121.223 -0.196 0.000 2.513 158 L HA 0.329 4.670 4.340 0.002 0.000 0.222 158 L C 0.992 177.803 176.870 -0.098 0.000 1.096 158 L CA 1.289 55.939 54.840 -0.318 0.000 0.857 158 L CB 0.422 42.252 42.059 -0.383 0.000 1.026 158 L HN 0.429 nan 8.230 nan 0.000 0.469 159 G N 0.177 108.954 108.800 -0.039 0.000 2.291 159 G HA2 -0.103 3.858 3.960 0.002 0.000 0.271 159 G HA3 -0.103 3.858 3.960 0.002 0.000 0.271 159 G C 0.271 175.232 174.900 0.102 0.000 1.099 159 G CA 0.083 45.203 45.100 0.033 0.000 0.919 159 G HN 0.597 nan 8.290 nan 0.000 0.496 160 A N -0.079 122.663 122.820 -0.130 0.000 2.276 160 A HA 0.827 5.148 4.320 0.002 0.000 0.300 160 A C 1.000 178.457 177.584 -0.212 0.000 1.235 160 A CA -0.271 51.525 52.037 -0.402 0.000 0.867 160 A CB 0.547 18.969 19.000 -0.963 0.000 1.137 160 A HN 0.568 nan 8.150 nan 0.000 0.527 161 R N 2.097 122.523 120.500 -0.122 0.000 2.566 161 R HA 0.219 4.561 4.340 0.002 0.000 0.388 161 R C 0.941 177.202 176.300 -0.064 0.000 0.989 161 R CA 0.620 56.676 56.100 -0.072 0.000 1.164 161 R CB 0.912 31.200 30.300 -0.020 0.000 1.459 161 R HN 0.690 nan 8.270 nan 0.000 0.553 162 A N 0.919 123.685 122.820 -0.089 0.000 2.308 162 A HA 0.473 4.794 4.320 0.002 0.000 0.217 162 A C 0.604 178.136 177.584 -0.087 0.000 1.216 162 A CA 0.426 52.424 52.037 -0.065 0.000 0.864 162 A CB 0.492 19.468 19.000 -0.040 0.000 0.902 162 A HN 0.288 nan 8.150 nan 0.000 0.499 163 G N -1.477 107.252 108.800 -0.118 0.000 2.801 163 G HA2 0.285 4.246 3.960 0.002 0.000 0.648 163 G HA3 0.285 4.246 3.960 0.002 0.000 0.648 163 G C -1.258 173.554 174.900 -0.146 0.000 1.415 163 G CA -0.362 44.671 45.100 -0.112 0.000 0.887 163 G HN 0.668 nan 8.290 nan 0.000 0.627 164 V N 3.976 123.812 119.914 -0.129 0.000 2.376 164 V HA 0.727 4.848 4.120 0.002 0.000 0.287 164 V C 0.381 176.412 176.094 -0.106 0.000 1.015 164 V CA -0.351 61.868 62.300 -0.135 0.000 0.834 164 V CB 1.418 33.157 31.823 -0.139 0.000 1.001 164 V HN 0.747 nan 8.190 nan 0.000 0.428 165 M N 3.558 123.098 119.600 -0.101 0.000 2.465 165 M HA 0.545 5.026 4.480 0.002 0.000 0.316 165 M C -0.482 175.765 176.300 -0.089 0.000 1.121 165 M CA -0.384 54.855 55.300 -0.102 0.000 0.934 165 M CB 2.473 34.999 32.600 -0.123 0.000 1.692 165 M HN 0.381 nan 8.290 nan 0.000 0.444 166 T N 3.272 117.772 114.554 -0.091 0.000 3.064 166 T HA 0.408 4.759 4.350 0.002 0.000 0.367 166 T C -2.489 172.160 174.700 -0.085 0.000 1.202 166 T CA -1.060 60.998 62.100 -0.071 0.000 1.133 166 T CB 0.354 69.190 68.868 -0.054 0.000 1.074 166 T HN 0.418 nan 8.240 nan 0.000 0.519 167 P HA 0.396 nan 4.420 nan 0.000 0.281 167 P C -0.642 176.622 177.300 -0.060 0.000 1.252 167 P CA -0.484 62.561 63.100 -0.091 0.000 0.778 167 P CB 1.163 32.838 31.700 -0.043 0.000 0.895 168 V N 0.586 120.454 119.914 -0.077 0.000 2.444 168 V HA 0.677 4.798 4.120 0.002 0.000 0.294 168 V C 0.287 176.286 176.094 -0.158 0.000 1.022 168 V CA -0.499 61.755 62.300 -0.077 0.000 0.850 168 V CB 1.283 33.078 31.823 -0.047 0.000 0.992 168 V HN 0.638 nan 8.190 nan 0.000 0.426 169 S N 2.727 118.316 115.700 -0.184 0.000 2.949 169 S HA 0.751 5.222 4.470 0.002 0.000 0.246 169 S C 0.603 175.145 174.600 -0.097 0.000 0.899 169 S CA 0.646 58.592 58.200 -0.424 0.000 1.091 169 S CB 0.362 63.248 63.200 -0.523 0.000 1.199 169 S HN 2.668 nan 8.310 nan 0.000 0.507 170 A N 2.278 125.099 122.820 0.002 0.000 5.195 170 A HA -0.380 3.941 4.320 0.002 0.000 0.310 170 A C 1.239 178.825 177.584 0.003 0.000 1.951 170 A CA 1.757 53.827 52.037 0.054 0.000 0.714 170 A CB -1.873 17.217 19.000 0.151 0.000 1.301 170 A HN 0.642 nan 8.150 nan 0.000 0.369 171 Q N 0.641 120.428 119.800 -0.023 0.000 2.451 171 Q HA 0.221 4.562 4.340 0.002 0.000 0.206 171 Q C 1.695 177.721 176.000 0.042 0.000 0.947 171 Q CA 1.235 57.047 55.803 0.015 0.000 0.937 171 Q CB 0.025 28.782 28.738 0.033 0.000 1.025 171 Q HN 1.031 nan 8.270 nan 0.000 0.511 172 S N -2.020 113.672 115.700 -0.013 0.000 2.572 172 S HA 0.186 4.657 4.470 0.002 0.000 0.228 172 S C 1.273 175.852 174.600 -0.035 0.000 0.963 172 S CA -0.263 57.903 58.200 -0.056 0.000 0.939 172 S CB 0.373 63.527 63.200 -0.077 0.000 0.804 172 S HN 0.073 nan 8.310 nan 0.000 0.480 173 S N 1.842 117.530 115.700 -0.019 0.000 2.406 173 S HA 0.059 4.530 4.470 0.002 0.000 0.228 173 S C 2.036 176.638 174.600 0.005 0.000 1.020 173 S CA 1.044 59.235 58.200 -0.015 0.000 0.965 173 S CB -0.762 62.429 63.200 -0.015 0.000 0.798 173 S HN 0.730 nan 8.310 nan 0.000 0.488 174 G N 0.905 109.712 108.800 0.012 0.000 2.443 174 G HA2 -0.090 3.871 3.960 0.002 0.000 0.219 174 G HA3 -0.090 3.871 3.960 0.002 0.000 0.219 174 G C 1.469 176.382 174.900 0.020 0.000 1.131 174 G CA 0.813 45.926 45.100 0.022 0.000 0.775 174 G HN 0.512 nan 8.290 nan 0.000 0.547 175 S N -0.458 115.242 115.700 0.000 0.000 2.421 175 S HA 0.037 4.508 4.470 0.002 0.000 0.224 175 S C 2.020 176.610 174.600 -0.016 0.000 1.035 175 S CA 0.733 58.925 58.200 -0.013 0.000 0.953 175 S CB 0.129 63.295 63.200 -0.057 0.000 0.810 175 S HN 0.596 nan 8.310 nan 0.000 0.497 176 E N 1.565 121.763 120.200 -0.005 0.000 2.072 176 E HA -0.109 4.242 4.350 0.002 0.000 0.191 176 E C 2.113 178.782 176.600 0.115 0.000 0.985 176 E CA 0.903 57.319 56.400 0.026 0.000 0.801 176 E CB -0.213 29.521 29.700 0.056 0.000 0.750 176 E HN 0.434 nan 8.360 nan 0.000 0.452 177 A N 1.519 124.401 122.820 0.104 0.000 1.884 177 A HA -0.237 4.084 4.320 0.002 0.000 0.219 177 A C 2.167 179.817 177.584 0.109 0.000 1.197 177 A CA 1.907 54.011 52.037 0.112 0.000 0.637 177 A CB -0.900 18.134 19.000 0.056 0.000 0.827 177 A HN 0.384 nan 8.150 nan 0.000 0.450 178 I N -0.394 120.217 120.570 0.067 0.000 2.454 178 I HA -0.243 3.928 4.170 0.002 0.000 0.254 178 I C 2.737 178.878 176.117 0.039 0.000 1.156 178 I CA 0.951 62.288 61.300 0.062 0.000 1.433 178 I CB -0.376 37.660 38.000 0.061 0.000 1.082 178 I HN 0.373 nan 8.210 nan 0.000 0.432 179 A N -0.270 122.537 122.820 -0.022 0.000 2.066 179 A HA -0.147 4.174 4.320 0.002 0.000 0.218 179 A C 2.098 179.639 177.584 -0.070 0.000 1.157 179 A CA 1.112 53.087 52.037 -0.103 0.000 0.670 179 A CB -0.604 18.269 19.000 -0.211 0.000 0.804 179 A HN 0.403 nan 8.150 nan 0.000 0.453 180 H N -1.126 117.979 119.070 0.060 0.000 2.486 180 H HA 0.214 4.771 4.556 0.002 0.000 0.287 180 H C 2.472 177.823 175.328 0.038 0.000 1.010 180 H CA 0.974 57.048 56.048 0.044 0.000 1.324 180 H CB -0.063 29.703 29.762 0.007 0.000 1.446 180 H HN 0.511 nan 8.280 nan 0.000 0.537 181 A N 0.703 123.618 122.820 0.158 0.000 1.930 181 A HA -0.173 4.148 4.320 0.002 0.000 0.217 181 A C 2.272 179.914 177.584 0.097 0.000 1.175 181 A CA 1.130 53.226 52.037 0.098 0.000 0.627 181 A CB -0.894 18.161 19.000 0.092 0.000 0.815 181 A HN 0.494 nan 8.150 nan 0.000 0.443 182 W N 0.787 122.042 121.300 -0.074 0.000 2.329 182 W HA -0.193 4.468 4.660 0.002 0.000 0.324 182 W C 2.443 178.871 176.519 -0.152 0.000 1.222 182 W CA 2.181 59.450 57.345 -0.126 0.000 1.270 182 W CB -0.374 28.979 29.460 -0.178 0.000 1.167 182 W HN 0.220 nan 8.180 nan 0.000 0.467 183 R N -0.216 120.268 120.500 -0.026 0.000 2.119 183 R HA -0.292 4.049 4.340 0.002 0.000 0.246 183 R C 2.161 178.314 176.300 -0.245 0.000 1.146 183 R CA 2.149 58.103 56.100 -0.243 0.000 0.962 183 R CB -0.843 29.445 30.300 -0.020 0.000 0.863 183 R HN 0.320 nan 8.270 nan 0.000 0.442 184 Q N 0.955 120.688 119.800 -0.112 0.000 2.096 184 Q HA -0.129 4.212 4.340 0.002 0.000 0.204 184 Q C 1.907 177.817 176.000 -0.149 0.000 0.982 184 Q CA 1.585 57.331 55.803 -0.094 0.000 0.850 184 Q CB -0.072 28.642 28.738 -0.040 0.000 0.901 184 Q HN 0.359 nan 8.270 nan 0.000 0.422 185 I N 0.083 120.535 120.570 -0.198 0.000 2.163 185 I HA -0.196 3.975 4.170 0.002 0.000 0.240 185 I C 2.189 178.128 176.117 -0.296 0.000 1.081 185 I CA 1.362 62.536 61.300 -0.210 0.000 1.353 185 I CB -0.653 37.235 38.000 -0.188 0.000 1.054 185 I HN 0.275 nan 8.210 nan 0.000 0.407 186 V N -2.059 117.523 119.914 -0.552 0.000 2.970 186 V HA -0.127 3.994 4.120 0.002 0.000 0.260 186 V C 2.004 177.901 176.094 -0.328 0.000 1.100 186 V CA 1.245 63.189 62.300 -0.593 0.000 1.122 186 V CB -0.545 30.474 31.823 -1.340 0.000 0.721 186 V HN 0.364 nan 8.190 nan 0.000 0.483 187 M N 0.298 119.734 119.600 -0.273 0.000 2.509 187 M HA 0.350 4.831 4.480 0.002 0.000 0.250 187 M C 1.672 177.927 176.300 -0.075 0.000 1.132 187 M CA 1.055 56.277 55.300 -0.130 0.000 1.080 187 M CB 0.638 33.170 32.600 -0.113 0.000 1.408 187 M HN 0.685 nan 8.290 nan 0.000 0.484 188 G N 0.102 108.849 108.800 -0.088 0.000 2.201 188 G HA2 -0.190 3.771 3.960 0.002 0.000 0.212 188 G HA3 -0.190 3.771 3.960 0.002 0.000 0.212 188 G C 0.416 175.290 174.900 -0.043 0.000 0.994 188 G CA 0.171 45.241 45.100 -0.051 0.000 0.644 188 G HN 0.415 nan 8.290 nan 0.000 0.508 189 D N 0.715 121.082 120.400 -0.054 0.000 2.224 189 D HA 0.346 4.987 4.640 0.002 0.000 0.205 189 D C 1.362 177.641 176.300 -0.035 0.000 0.965 189 D CA 1.613 55.589 54.000 -0.041 0.000 0.852 189 D CB 0.349 41.122 40.800 -0.046 0.000 0.947 189 D HN 0.926 nan 8.370 nan 0.000 0.494 190 A N -0.060 122.734 122.820 -0.043 0.000 2.593 190 A HA 0.410 4.731 4.320 0.002 0.000 0.290 190 A C -0.498 177.061 177.584 -0.042 0.000 1.126 190 A CA -0.625 51.395 52.037 -0.028 0.000 0.695 190 A CB 1.610 20.596 19.000 -0.023 0.000 1.290 190 A HN -0.264 nan 8.150 nan 0.000 0.414 191 D N -0.952 119.417 120.400 -0.052 0.000 2.470 191 D HA 0.252 4.893 4.640 0.002 0.000 0.238 191 D C 0.107 176.288 176.300 -0.197 0.000 1.054 191 D CA 1.147 55.074 54.000 -0.121 0.000 0.896 191 D CB 1.246 41.952 40.800 -0.157 0.000 1.118 191 D HN 0.397 nan 8.370 nan 0.000 0.497 192 V N -0.254 119.580 119.914 -0.133 0.000 3.007 192 V HA 0.804 4.925 4.120 0.002 0.000 0.311 192 V C -1.843 174.392 176.094 0.235 0.000 1.120 192 V CA -0.664 61.617 62.300 -0.032 0.000 0.980 192 V CB 2.059 33.773 31.823 -0.182 0.000 1.033 192 V HN 0.109 nan 8.190 nan 0.000 0.429 193 A N 4.357 127.334 122.820 0.262 0.000 2.488 193 A HA 0.786 5.107 4.320 0.002 0.000 0.298 193 A C -1.539 176.235 177.584 0.316 0.000 1.044 193 A CA -0.454 51.739 52.037 0.261 0.000 0.693 193 A CB 2.074 21.136 19.000 0.104 0.000 1.272 193 A HN 1.140 nan 8.150 nan 0.000 0.402 194 V N 1.939 122.040 119.914 0.310 0.000 2.333 194 V HA 0.474 4.595 4.120 0.002 0.000 0.274 194 V C -0.140 176.012 176.094 0.097 0.000 1.028 194 V CA -0.256 62.185 62.300 0.236 0.000 0.851 194 V CB 0.252 32.242 31.823 0.278 0.000 1.000 194 V HN 1.247 nan 8.190 nan 0.000 0.456 195 C N 2.759 122.118 119.300 0.100 0.000 2.609 195 C HA 1.071 5.532 4.460 0.002 0.000 0.313 195 C C 0.484 175.516 174.990 0.070 0.000 1.175 195 C CA 0.033 59.092 59.018 0.068 0.000 1.434 195 C CB 0.819 28.606 27.740 0.077 0.000 2.005 195 C HN 1.027 nan 8.230 nan 0.000 0.471 196 G N 1.077 109.908 108.800 0.052 0.000 2.704 196 G HA2 0.866 4.827 3.960 0.002 0.000 0.118 196 G HA3 0.866 4.827 3.960 0.002 0.000 0.118 196 G C -0.508 174.415 174.900 0.038 0.000 1.197 196 G CA 0.215 45.345 45.100 0.050 0.000 1.152 196 G HN 1.926 nan 8.290 nan 0.000 0.571 197 G N -1.318 107.503 108.800 0.036 0.000 2.703 197 G HA2 0.744 4.706 3.960 0.002 0.000 0.294 197 G HA3 0.744 4.706 3.960 0.002 0.000 0.294 197 G C -1.256 173.666 174.900 0.036 0.000 1.451 197 G CA 0.442 45.561 45.100 0.031 0.000 0.869 197 G HN 1.834 nan 8.290 nan 0.000 0.516 198 V N -2.194 117.742 119.914 0.037 0.000 3.114 198 V HA 1.008 5.130 4.120 0.002 0.000 0.308 198 V C -1.013 175.118 176.094 0.061 0.000 1.168 198 V CA -1.093 61.238 62.300 0.052 0.000 1.015 198 V CB 1.964 33.814 31.823 0.044 0.000 1.050 198 V HN 0.998 nan 8.190 nan 0.000 0.433 199 E N 0.347 120.602 120.200 0.093 0.000 2.430 199 E HA 0.732 5.083 4.350 0.002 0.000 0.279 199 E C -0.053 176.613 176.600 0.111 0.000 1.003 199 E CA 0.261 56.703 56.400 0.070 0.000 0.801 199 E CB 1.995 31.705 29.700 0.017 0.000 1.313 199 E HN 1.272 nan 8.360 nan 0.000 0.459 200 G N 1.142 109.938 108.800 -0.007 0.000 2.588 200 G HA2 0.532 4.493 3.960 0.002 0.000 0.281 200 G HA3 0.532 4.493 3.960 0.002 0.000 0.281 200 G C -2.237 172.458 174.900 -0.341 0.000 1.236 200 G CA -1.048 43.945 45.100 -0.179 0.000 0.969 200 G HN 0.412 nan 8.290 nan 0.000 0.504 201 P HA 0.264 nan 4.420 nan 0.000 0.276 201 P C -0.059 177.074 177.300 -0.277 0.000 1.261 201 P CA -0.535 62.345 63.100 -0.368 0.000 0.800 201 P CB 0.755 32.224 31.700 -0.386 0.000 1.066 202 I N 1.181 121.636 120.570 -0.192 0.000 2.587 202 I HA 0.066 4.237 4.170 0.002 0.000 0.284 202 I C 1.177 177.318 176.117 0.040 0.000 1.134 202 I CA 0.773 61.951 61.300 -0.203 0.000 1.410 202 I CB -0.100 37.801 38.000 -0.164 0.000 1.392 202 I HN 0.259 nan 8.210 nan 0.000 0.545 203 E N 3.640 123.794 120.200 -0.078 0.000 2.440 203 E HA 0.509 4.860 4.350 0.002 0.000 0.263 203 E C 0.476 176.860 176.600 -0.361 0.000 0.938 203 E CA -0.570 55.648 56.400 -0.304 0.000 0.831 203 E CB 1.686 31.188 29.700 -0.331 0.000 1.456 203 E HN 0.508 nan 8.360 nan 0.000 0.427 204 A N 0.488 122.838 122.820 -0.783 0.000 1.873 204 A HA -0.136 4.185 4.320 0.002 0.000 0.215 204 A C 1.921 179.345 177.584 -0.267 0.000 1.186 204 A CA 1.330 53.107 52.037 -0.433 0.000 0.616 204 A CB -0.479 18.194 19.000 -0.544 0.000 0.823 204 A HN 0.379 nan 8.150 nan 0.000 0.442 205 L N 0.432 121.476 121.223 -0.298 0.000 2.017 205 L HA -0.017 4.324 4.340 0.002 0.000 0.208 205 L C -0.746 176.095 176.870 -0.047 0.000 1.073 205 L CA 2.165 56.880 54.840 -0.208 0.000 0.745 205 L CB -1.379 40.561 42.059 -0.198 0.000 0.894 205 L HN 0.151 nan 8.230 nan 0.000 0.432 206 P HA -0.163 nan 4.420 nan 0.000 0.215 206 P C 2.144 179.705 177.300 0.436 0.000 1.153 206 P CA 1.668 64.921 63.100 0.254 0.000 0.853 206 P CB -0.000 31.812 31.700 0.188 0.000 0.788 207 I N -0.739 120.030 120.570 0.331 0.000 2.202 207 I HA -0.246 3.925 4.170 0.002 0.000 0.242 207 I C 2.355 178.568 176.117 0.160 0.000 1.091 207 I CA 1.408 62.888 61.300 0.301 0.000 1.368 207 I CB -0.844 37.310 38.000 0.256 0.000 1.058 207 I HN -0.092 nan 8.210 nan 0.000 0.410 208 A N 0.887 123.742 122.820 0.059 0.000 1.892 208 A HA -0.251 4.070 4.320 0.002 0.000 0.218 208 A C 2.531 180.119 177.584 0.006 0.000 1.188 208 A CA 2.230 54.262 52.037 -0.008 0.000 0.631 208 A CB -0.911 18.018 19.000 -0.118 0.000 0.822 208 A HN 0.457 nan 8.150 nan 0.000 0.447 209 A N -1.381 121.447 122.820 0.013 0.000 1.855 209 A HA 0.040 4.361 4.320 0.002 0.000 0.215 209 A C 1.976 179.521 177.584 -0.064 0.000 1.191 209 A CA 1.529 53.527 52.037 -0.064 0.000 0.613 209 A CB -0.744 18.173 19.000 -0.138 0.000 0.829 209 A HN 0.463 nan 8.150 nan 0.000 0.442 210 F N 0.916 120.925 119.950 0.097 0.000 2.259 210 F HA -0.111 4.417 4.527 0.002 0.000 0.298 210 F C 2.902 178.722 175.800 0.033 0.000 1.088 210 F CA 1.550 59.633 58.000 0.137 0.000 1.358 210 F CB -0.100 39.042 39.000 0.236 0.000 1.040 210 F HN 0.352 nan 8.300 nan 0.000 0.505 211 S N -0.865 114.914 115.700 0.132 0.000 2.461 211 S HA -0.096 4.375 4.470 0.002 0.000 0.228 211 S C 1.895 176.505 174.600 0.016 0.000 1.005 211 S CA 0.466 58.679 58.200 0.021 0.000 0.942 211 S CB -0.274 62.919 63.200 -0.013 0.000 0.776 211 S HN 0.151 nan 8.310 nan 0.000 0.514 212 M N 1.064 120.674 119.600 0.016 0.000 2.557 212 M HA 0.253 4.734 4.480 0.002 0.000 0.259 212 M C 1.650 177.947 176.300 -0.005 0.000 1.086 212 M CA 0.865 56.161 55.300 -0.005 0.000 1.096 212 M CB -1.128 31.457 32.600 -0.025 0.000 1.424 212 M HN 0.476 nan 8.290 nan 0.000 0.488 213 M N -1.195 118.416 119.600 0.018 0.000 2.541 213 M HA 0.049 4.530 4.480 0.002 0.000 0.252 213 M C 0.058 176.381 176.300 0.039 0.000 1.125 213 M CA 0.221 55.536 55.300 0.024 0.000 1.091 213 M CB 0.105 32.745 32.600 0.068 0.000 1.420 213 M HN 0.087 nan 8.290 nan 0.000 0.486 214 R N -0.091 120.429 120.500 0.033 0.000 3.322 214 R HA -0.174 4.167 4.340 0.002 0.000 0.266 214 R C 0.305 176.626 176.300 0.034 0.000 1.072 214 R CA 0.293 56.401 56.100 0.013 0.000 0.715 214 R CB -2.080 28.221 30.300 0.003 0.000 1.199 214 R HN 0.533 nan 8.270 nan 0.000 0.421 215 A N -0.508 122.349 122.820 0.062 0.000 2.358 215 A HA 0.349 4.670 4.320 0.002 0.000 0.223 215 A C 0.713 178.194 177.584 -0.173 0.000 1.218 215 A CA -0.057 52.055 52.037 0.126 0.000 0.942 215 A CB 0.480 19.753 19.000 0.455 0.000 1.005 215 A HN 0.213 nan 8.150 nan 0.000 0.514 216 M N 0.033 119.402 119.600 -0.385 0.000 2.368 216 M HA 0.354 4.835 4.480 0.002 0.000 0.311 216 M C 0.335 176.398 176.300 -0.394 0.000 1.168 216 M CA -0.277 54.585 55.300 -0.730 0.000 1.044 216 M CB 1.463 33.637 32.600 -0.710 0.000 1.506 216 M HN 0.135 nan 8.290 nan 0.000 0.475 217 S N 0.015 115.480 115.700 -0.390 0.000 2.584 217 S HA 0.337 4.808 4.470 0.002 0.000 0.273 217 S C 0.588 175.086 174.600 -0.171 0.000 1.311 217 S CA -0.458 57.613 58.200 -0.216 0.000 1.034 217 S CB 0.512 63.609 63.200 -0.173 0.000 0.939 217 S HN 0.799 nan 8.310 nan 0.000 0.513 218 T N 1.041 115.530 114.554 -0.109 0.000 3.170 218 T HA 0.307 4.658 4.350 0.002 0.000 0.288 218 T C 0.508 175.176 174.700 -0.054 0.000 0.992 218 T CA -0.410 61.644 62.100 -0.076 0.000 0.909 218 T CB -0.173 68.660 68.868 -0.058 0.000 1.133 218 T HN 0.546 nan 8.240 nan 0.000 0.530 219 R N 2.142 122.608 120.500 -0.056 0.000 3.572 219 R HA 0.203 4.544 4.340 0.002 0.000 0.186 219 R C 0.561 176.841 176.300 -0.033 0.000 1.727 219 R CA 0.076 56.153 56.100 -0.039 0.000 1.267 219 R CB -0.764 29.513 30.300 -0.038 0.000 1.318 219 R HN 0.535 nan 8.270 nan 0.000 0.718 220 N N 0.432 119.116 118.700 -0.027 0.000 2.331 220 N HA -0.144 4.597 4.740 0.002 0.000 0.180 220 N C 0.616 176.119 175.510 -0.011 0.000 1.019 220 N CA 0.942 53.980 53.050 -0.020 0.000 0.881 220 N CB 0.186 38.665 38.487 -0.014 0.000 0.972 220 N HN 0.517 nan 8.380 nan 0.000 0.435 221 D N 0.784 121.179 120.400 -0.008 0.000 2.317 221 D HA -0.074 4.567 4.640 0.002 0.000 0.211 221 D C 0.010 176.311 176.300 0.001 0.000 0.966 221 D CA 0.903 54.901 54.000 -0.002 0.000 0.876 221 D CB -0.089 40.710 40.800 -0.002 0.000 0.927 221 D HN 0.293 nan 8.370 nan 0.000 0.519 222 E N 0.333 120.532 120.200 -0.002 0.000 2.914 222 E HA 0.182 4.533 4.350 0.002 0.000 0.246 222 E C -2.165 174.435 176.600 0.000 0.000 1.146 222 E CA -1.607 54.794 56.400 0.002 0.000 0.803 222 E CB 2.071 31.772 29.700 0.002 0.000 1.409 222 E HN -0.071 nan 8.360 nan 0.000 0.392 223 P HA -0.174 nan 4.420 nan 0.000 0.221 223 P C 0.554 177.855 177.300 0.001 0.000 1.145 223 P CA 1.135 64.233 63.100 -0.004 0.000 0.795 223 P CB 0.324 32.030 31.700 0.010 0.000 0.775 224 E N -1.011 119.198 120.200 0.015 0.000 2.452 224 E HA 0.084 4.435 4.350 0.002 0.000 0.197 224 E C 1.519 178.128 176.600 0.016 0.000 1.022 224 E CA 0.154 56.567 56.400 0.021 0.000 0.890 224 E CB 0.066 29.785 29.700 0.032 0.000 0.918 224 E HN 0.357 nan 8.360 nan 0.000 0.496 225 R N 0.442 120.947 120.500 0.009 0.000 2.334 225 R HA 0.259 4.601 4.340 0.002 0.000 0.216 225 R C 2.043 178.341 176.300 -0.004 0.000 0.905 225 R CA 0.436 56.541 56.100 0.008 0.000 1.064 225 R CB 0.198 30.501 30.300 0.006 0.000 1.046 225 R HN -0.007 nan 8.270 nan 0.000 0.508 226 A N 1.355 124.166 122.820 -0.015 0.000 1.859 226 A HA -0.127 4.194 4.320 0.002 0.000 0.217 226 A C 1.412 178.976 177.584 -0.034 0.000 1.198 226 A CA 1.308 53.325 52.037 -0.033 0.000 0.629 226 A CB -0.302 18.668 19.000 -0.050 0.000 0.830 226 A HN 0.225 nan 8.150 nan 0.000 0.446 227 S N -0.005 115.680 115.700 -0.025 0.000 2.481 227 S HA 0.446 4.917 4.470 0.002 0.000 0.276 227 S C 0.208 174.802 174.600 -0.010 0.000 1.247 227 S CA -0.478 57.707 58.200 -0.025 0.000 1.053 227 S CB -0.141 63.047 63.200 -0.020 0.000 0.925 227 S HN 0.390 nan 8.310 nan 0.000 0.491 228 R N 4.171 124.660 120.500 -0.019 0.000 2.647 228 R HA 0.229 4.570 4.340 0.002 0.000 0.295 228 R C -2.835 173.465 176.300 0.000 0.000 1.267 228 R CA -1.410 54.700 56.100 0.016 0.000 1.386 228 R CB 0.935 31.244 30.300 0.015 0.000 1.309 228 R HN 0.453 nan 8.270 nan 0.000 0.692 229 P HA -0.074 nan 4.420 nan 0.000 0.261 229 P C -0.091 177.168 177.300 -0.069 0.000 1.183 229 P CA 0.612 63.533 63.100 -0.298 0.000 0.761 229 P CB 0.173 31.642 31.700 -0.385 0.000 0.785 230 F N -0.983 119.049 119.950 0.136 0.000 2.748 230 F HA -0.244 4.284 4.527 0.002 0.000 0.370 230 F C 0.696 176.646 175.800 0.249 0.000 0.620 230 F CA 1.070 59.197 58.000 0.213 0.000 1.233 230 F CB -2.388 36.753 39.000 0.236 0.000 1.708 230 F HN 0.265 nan 8.300 nan 0.000 0.298 231 D N 0.779 121.338 120.400 0.265 0.000 2.302 231 D HA 0.258 4.899 4.640 0.002 0.000 0.248 231 D C 1.057 177.376 176.300 0.032 0.000 1.094 231 D CA -0.066 53.975 54.000 0.069 0.000 0.897 231 D CB 1.151 41.978 40.800 0.046 0.000 1.200 231 D HN 0.191 nan 8.370 nan 0.000 0.429 232 K N 1.542 121.937 120.400 -0.009 0.000 2.365 232 K HA -0.045 4.276 4.320 0.002 0.000 0.199 232 K C 0.019 176.616 176.600 -0.006 0.000 1.045 232 K CA 0.715 57.002 56.287 0.001 0.000 0.962 232 K CB 0.303 32.797 32.500 -0.010 0.000 0.759 232 K HN 0.428 nan 8.250 nan 0.000 0.469 233 D N 1.388 121.780 120.400 -0.014 0.000 2.460 233 D HA -0.017 4.624 4.640 0.002 0.000 0.229 233 D C -0.271 176.020 176.300 -0.015 0.000 1.170 233 D CA 0.097 54.088 54.000 -0.015 0.000 0.827 233 D CB 0.116 40.904 40.800 -0.019 0.000 0.973 233 D HN 0.329 nan 8.370 nan 0.000 0.496 234 R N 1.058 121.550 120.500 -0.012 0.000 2.441 234 R HA 0.242 4.583 4.340 0.002 0.000 0.284 234 R C -0.212 176.072 176.300 -0.026 0.000 1.070 234 R CA -0.232 55.855 56.100 -0.022 0.000 1.047 234 R CB 0.684 30.967 30.300 -0.029 0.000 1.016 234 R HN -0.221 nan 8.270 nan 0.000 0.477 235 D N 0.961 121.338 120.400 -0.038 0.000 2.760 235 D HA 0.236 4.878 4.640 0.002 0.000 0.314 235 D C 0.191 176.452 176.300 -0.066 0.000 1.464 235 D CA -0.066 53.907 54.000 -0.044 0.000 0.797 235 D CB 0.561 41.333 40.800 -0.046 0.000 1.149 235 D HN 0.917 nan 8.370 nan 0.000 0.455 236 G N 0.522 109.288 108.800 -0.056 0.000 2.423 236 G HA2 0.183 4.144 3.960 0.002 0.000 0.684 236 G HA3 0.183 4.144 3.960 0.002 0.000 0.684 236 G C -0.591 174.257 174.900 -0.087 0.000 1.309 236 G CA -0.732 44.326 45.100 -0.069 0.000 0.950 236 G HN 0.329 nan 8.290 nan 0.000 0.587 237 F N -0.414 119.474 119.950 -0.102 0.000 2.382 237 F HA 0.788 5.316 4.527 0.002 0.000 0.331 237 F C 0.315 176.001 175.800 -0.191 0.000 1.121 237 F CA -1.231 56.689 58.000 -0.133 0.000 1.183 237 F CB 1.105 40.049 39.000 -0.094 0.000 1.207 237 F HN 0.402 nan 8.300 nan 0.000 0.555 238 V N 3.455 123.385 119.914 0.027 0.000 2.667 238 V HA 0.291 4.412 4.120 0.002 0.000 0.308 238 V C -0.245 175.927 176.094 0.131 0.000 1.048 238 V CA -0.797 61.465 62.300 -0.064 0.000 0.928 238 V CB 1.401 33.202 31.823 -0.037 0.000 1.004 238 V HN 0.654 nan 8.190 nan 0.000 0.444 239 F N 2.045 122.017 119.950 0.037 0.000 2.418 239 F HA 0.626 5.154 4.527 0.002 0.000 0.341 239 F C 0.980 176.772 175.800 -0.013 0.000 1.120 239 F CA -0.582 57.441 58.000 0.038 0.000 1.232 239 F CB 1.253 40.239 39.000 -0.024 0.000 1.175 239 F HN 0.538 nan 8.300 nan 0.000 0.569 240 G N 3.464 112.417 108.800 0.256 0.000 2.562 240 G HA2 0.249 4.210 3.960 0.002 0.000 0.298 240 G HA3 0.249 4.210 3.960 0.002 0.000 0.298 240 G C -0.983 173.964 174.900 0.078 0.000 1.499 240 G CA -0.700 44.470 45.100 0.117 0.000 1.036 240 G HN 0.528 nan 8.290 nan 0.000 0.543 241 E N 0.371 120.592 120.200 0.034 0.000 2.508 241 E HA 0.378 4.729 4.350 0.002 0.000 0.266 241 E C 0.508 177.157 176.600 0.082 0.000 1.010 241 E CA 1.102 57.524 56.400 0.036 0.000 0.955 241 E CB 1.088 30.832 29.700 0.074 0.000 0.946 241 E HN 0.850 nan 8.360 nan 0.000 0.454 242 A N 1.252 124.124 122.820 0.086 0.000 2.544 242 A HA 0.743 5.064 4.320 0.002 0.000 0.291 242 A C -0.939 176.701 177.584 0.094 0.000 1.055 242 A CA -0.139 51.953 52.037 0.092 0.000 0.651 242 A CB 1.896 20.943 19.000 0.078 0.000 1.296 242 A HN 0.655 nan 8.150 nan 0.000 0.431 243 G N -1.103 107.746 108.800 0.082 0.000 2.717 243 G HA2 0.838 4.799 3.960 0.002 0.000 0.300 243 G HA3 0.838 4.799 3.960 0.002 0.000 0.300 243 G C -0.923 174.011 174.900 0.056 0.000 1.424 243 G CA 0.594 45.736 45.100 0.069 0.000 1.033 243 G HN 2.209 nan 8.290 nan 0.000 0.577 244 A N 1.941 124.791 122.820 0.049 0.000 2.488 244 A HA 0.845 5.166 4.320 0.002 0.000 0.295 244 A C -1.010 176.601 177.584 0.046 0.000 1.045 244 A CA -0.519 51.545 52.037 0.045 0.000 0.703 244 A CB 1.171 20.197 19.000 0.043 0.000 1.271 244 A HN 0.870 nan 8.150 nan 0.000 0.400 245 L N 2.482 123.734 121.223 0.049 0.000 2.341 245 L HA 0.847 5.188 4.340 0.002 0.000 0.267 245 L C -0.034 176.877 176.870 0.069 0.000 1.009 245 L CA -0.767 54.110 54.840 0.062 0.000 0.819 245 L CB 2.184 44.283 42.059 0.067 0.000 1.323 245 L HN 0.945 nan 8.230 nan 0.000 0.425 246 M N 1.579 121.231 119.600 0.086 0.000 2.518 246 M HA 0.586 5.067 4.480 0.002 0.000 0.300 246 M C -1.736 174.638 176.300 0.124 0.000 1.175 246 M CA -0.828 54.526 55.300 0.090 0.000 0.890 246 M CB 2.604 35.256 32.600 0.088 0.000 1.710 246 M HN 0.380 nan 8.290 nan 0.000 0.453 247 L N 4.793 126.088 121.223 0.119 0.000 2.276 247 L HA 0.690 5.031 4.340 0.002 0.000 0.286 247 L C -0.898 176.039 176.870 0.113 0.000 1.061 247 L CA -0.360 54.566 54.840 0.145 0.000 0.807 247 L CB 0.935 43.067 42.059 0.121 0.000 1.177 247 L HN 0.799 nan 8.230 nan 0.000 0.429 248 I N 2.487 123.135 120.570 0.130 0.000 2.646 248 I HA 0.838 5.009 4.170 0.002 0.000 0.299 248 I C -1.268 174.899 176.117 0.083 0.000 1.036 248 I CA -0.420 60.944 61.300 0.108 0.000 1.074 248 I CB 2.206 40.281 38.000 0.126 0.000 1.258 248 I HN 0.803 nan 8.210 nan 0.000 0.430 249 E N 2.262 122.499 120.200 0.062 0.000 2.388 249 E HA 0.253 4.604 4.350 0.002 0.000 0.281 249 E C -1.133 175.499 176.600 0.053 0.000 1.046 249 E CA -0.995 55.420 56.400 0.024 0.000 0.825 249 E CB 1.235 30.942 29.700 0.011 0.000 1.243 249 E HN 0.763 nan 8.360 nan 0.000 0.438 250 T N -1.392 113.188 114.554 0.044 0.000 2.939 250 T HA -0.070 4.281 4.350 0.002 0.000 0.319 250 T C 0.974 175.738 174.700 0.107 0.000 1.082 250 T CA 0.447 62.592 62.100 0.075 0.000 1.133 250 T CB 1.129 70.039 68.868 0.071 0.000 1.019 250 T HN 0.754 nan 8.240 nan 0.000 0.548 251 E N 0.709 120.972 120.200 0.106 0.000 2.268 251 E HA -0.196 4.155 4.350 0.002 0.000 0.195 251 E C 1.913 178.571 176.600 0.096 0.000 0.995 251 E CA 1.011 57.476 56.400 0.108 0.000 0.836 251 E CB 0.012 29.804 29.700 0.153 0.000 0.763 251 E HN 0.883 nan 8.360 nan 0.000 0.491 252 E N 0.053 120.311 120.200 0.096 0.000 2.028 252 E HA -0.250 4.101 4.350 0.002 0.000 0.191 252 E C 2.110 178.752 176.600 0.069 0.000 0.988 252 E CA 0.966 57.412 56.400 0.076 0.000 0.799 252 E CB -0.226 29.519 29.700 0.075 0.000 0.755 252 E HN 0.426 nan 8.360 nan 0.000 0.447 253 H N -0.044 119.033 119.070 0.012 0.000 2.321 253 H HA -0.098 4.459 4.556 0.002 0.000 0.300 253 H C 1.869 177.185 175.328 -0.020 0.000 1.087 253 H CA 1.745 57.793 56.048 -0.001 0.000 1.319 253 H CB 0.038 29.804 29.762 0.006 0.000 1.379 253 H HN 0.271 nan 8.280 nan 0.000 0.501 254 A N 1.576 124.459 122.820 0.105 0.000 1.902 254 A HA -0.149 4.173 4.320 0.002 0.000 0.217 254 A C 2.446 180.007 177.584 -0.039 0.000 1.181 254 A CA 1.407 53.454 52.037 0.016 0.000 0.623 254 A CB -0.435 18.561 19.000 -0.008 0.000 0.818 254 A HN 0.253 nan 8.150 nan 0.000 0.443 255 K N 0.193 120.585 120.400 -0.014 0.000 1.987 255 K HA -0.199 4.123 4.320 0.002 0.000 0.216 255 K C 2.191 178.760 176.600 -0.051 0.000 1.051 255 K CA 1.870 58.149 56.287 -0.013 0.000 0.942 255 K CB -0.765 31.745 32.500 0.018 0.000 0.722 255 K HN 0.359 nan 8.250 nan 0.000 0.444 256 A N 1.916 124.687 122.820 -0.081 0.000 1.986 256 A HA -0.216 4.105 4.320 0.002 0.000 0.220 256 A C 2.024 179.533 177.584 -0.126 0.000 1.171 256 A CA 2.186 54.158 52.037 -0.108 0.000 0.640 256 A CB -0.525 18.385 19.000 -0.150 0.000 0.811 256 A HN 0.623 nan 8.150 nan 0.000 0.451 257 R N -1.741 118.665 120.500 -0.155 0.000 2.334 257 R HA 0.358 4.699 4.340 0.002 0.000 0.216 257 R C 1.122 177.358 176.300 -0.106 0.000 0.905 257 R CA 0.815 56.828 56.100 -0.143 0.000 1.064 257 R CB -0.471 29.720 30.300 -0.182 0.000 1.046 257 R HN 0.795 nan 8.270 nan 0.000 0.508 258 G N 0.387 109.137 108.800 -0.084 0.000 2.148 258 G HA2 -0.341 3.620 3.960 0.002 0.000 0.254 258 G HA3 -0.341 3.620 3.960 0.002 0.000 0.254 258 G C 0.283 175.140 174.900 -0.072 0.000 0.981 258 G CA 0.091 45.152 45.100 -0.065 0.000 0.670 258 G HN 0.698 nan 8.290 nan 0.000 0.528 259 A N -0.355 122.413 122.820 -0.087 0.000 2.477 259 A HA 0.627 4.948 4.320 0.002 0.000 0.246 259 A C 0.551 178.069 177.584 -0.109 0.000 1.078 259 A CA 0.718 52.696 52.037 -0.099 0.000 0.770 259 A CB 0.536 19.474 19.000 -0.104 0.000 1.011 259 A HN 0.696 nan 8.150 nan 0.000 0.494 260 K N 3.268 123.600 120.400 -0.112 0.000 2.248 260 K HA 0.486 4.807 4.320 0.002 0.000 0.281 260 K C -2.754 173.722 176.600 -0.206 0.000 1.054 260 K CA -2.057 54.147 56.287 -0.138 0.000 0.903 260 K CB 0.544 32.997 32.500 -0.079 0.000 1.077 260 K HN 0.363 nan 8.250 nan 0.000 0.474 261 P HA 0.057 nan 4.420 nan 0.000 0.269 261 P C -0.002 177.150 177.300 -0.247 0.000 1.215 261 P CA -0.118 62.718 63.100 -0.440 0.000 0.780 261 P CB 0.632 31.686 31.700 -1.077 0.000 0.898 262 L N 0.283 121.427 121.223 -0.132 0.000 2.470 262 L HA 0.429 4.770 4.340 0.002 0.000 0.219 262 L C 1.041 177.908 176.870 -0.004 0.000 1.071 262 L CA 0.465 55.264 54.840 -0.068 0.000 0.850 262 L CB -0.117 41.891 42.059 -0.085 0.000 1.040 262 L HN 0.454 nan 8.230 nan 0.000 0.475 263 A N -0.139 122.707 122.820 0.044 0.000 2.573 263 A HA 0.701 5.022 4.320 0.002 0.000 0.310 263 A C -1.289 176.428 177.584 0.222 0.000 1.142 263 A CA -0.667 51.461 52.037 0.152 0.000 0.620 263 A CB 1.087 20.164 19.000 0.128 0.000 1.382 263 A HN 0.033 nan 8.150 nan 0.000 0.545 264 R N -0.704 119.976 120.500 0.300 0.000 2.621 264 R HA 0.608 4.949 4.340 0.002 0.000 0.292 264 R C -1.802 174.617 176.300 0.198 0.000 0.969 264 R CA -0.683 55.575 56.100 0.264 0.000 0.887 264 R CB 2.103 32.565 30.300 0.270 0.000 1.180 264 R HN 0.522 nan 8.270 nan 0.000 0.450 265 L N 4.672 125.925 121.223 0.051 0.000 2.280 265 L HA 0.357 4.698 4.340 0.002 0.000 0.287 265 L C -0.341 176.457 176.870 -0.120 0.000 1.023 265 L CA 0.105 54.780 54.840 -0.275 0.000 0.819 265 L CB 1.110 43.001 42.059 -0.280 0.000 1.212 265 L HN 0.752 nan 8.230 nan 0.000 0.420 266 L N 4.377 125.443 121.223 -0.262 0.000 2.781 266 L HA 0.631 4.972 4.340 0.002 0.000 0.245 266 L C 0.801 177.492 176.870 -0.298 0.000 1.118 266 L CA 0.067 54.871 54.840 -0.060 0.000 0.918 266 L CB 0.294 42.362 42.059 0.015 0.000 1.246 266 L HN 0.701 nan 8.230 nan 0.000 0.526 267 G N 0.113 108.415 108.800 -0.830 0.000 2.698 267 G HA2 0.755 4.716 3.960 0.002 0.000 0.293 267 G HA3 0.755 4.716 3.960 0.002 0.000 0.293 267 G C -2.064 172.138 174.900 -1.164 0.000 1.437 267 G CA -0.043 44.463 45.100 -0.989 0.000 0.852 267 G HN 0.022 nan 8.290 nan 0.000 0.499 268 A N -0.618 121.630 122.820 -0.953 0.000 2.488 268 A HA 0.916 5.237 4.320 0.002 0.000 0.295 268 A C -0.252 177.159 177.584 -0.290 0.000 1.045 268 A CA 0.016 51.706 52.037 -0.578 0.000 0.703 268 A CB 1.790 20.466 19.000 -0.540 0.000 1.271 268 A HN 2.036 nan 8.150 nan 0.000 0.400 269 G N 0.793 109.475 108.800 -0.197 0.000 2.643 269 G HA2 0.642 4.603 3.960 0.002 0.000 0.305 269 G HA3 0.642 4.603 3.960 0.002 0.000 0.305 269 G C -1.147 173.711 174.900 -0.070 0.000 1.387 269 G CA -0.444 44.596 45.100 -0.101 0.000 0.982 269 G HN 0.696 nan 8.290 nan 0.000 0.501 270 I N 2.210 122.761 120.570 -0.031 0.000 2.500 270 I HA 0.454 4.625 4.170 0.002 0.000 0.286 270 I C 0.116 176.259 176.117 0.042 0.000 1.063 270 I CA -0.650 60.651 61.300 0.001 0.000 1.062 270 I CB 2.462 40.452 38.000 -0.017 0.000 1.223 270 I HN 0.678 nan 8.210 nan 0.000 0.435 271 T N 1.455 116.052 114.554 0.071 0.000 2.716 271 T HA 0.828 5.179 4.350 0.002 0.000 0.286 271 T C -0.400 174.366 174.700 0.110 0.000 1.052 271 T CA -0.756 61.392 62.100 0.081 0.000 1.024 271 T CB 2.061 70.970 68.868 0.067 0.000 1.349 271 T HN 0.536 nan 8.240 nan 0.000 0.525 272 S N -0.774 114.980 115.700 0.089 0.000 2.618 272 S HA 0.562 5.033 4.470 0.002 0.000 0.277 272 S C -0.464 174.170 174.600 0.056 0.000 1.138 272 S CA -0.827 57.418 58.200 0.076 0.000 0.844 272 S CB 1.906 65.148 63.200 0.071 0.000 1.127 272 S HN 0.653 nan 8.310 nan 0.000 0.474 273 D N 0.738 121.168 120.400 0.050 0.000 2.277 273 D HA 0.265 4.907 4.640 0.002 0.000 0.209 273 D C 1.231 177.594 176.300 0.104 0.000 0.970 273 D CA 1.261 55.304 54.000 0.071 0.000 0.874 273 D CB -0.143 40.715 40.800 0.095 0.000 0.982 273 D HN 1.072 nan 8.370 nan 0.000 0.504 274 A N 0.142 123.011 122.820 0.082 0.000 2.640 274 A HA -0.259 4.062 4.320 0.002 0.000 0.300 274 A C 0.669 178.338 177.584 0.143 0.000 1.499 274 A CA 1.133 53.215 52.037 0.075 0.000 0.759 274 A CB -2.300 16.734 19.000 0.056 0.000 1.048 274 A HN 0.420 nan 8.150 nan 0.000 0.450 275 F N -1.418 118.533 119.950 0.001 0.000 2.577 275 F HA 0.405 4.934 4.527 0.002 0.000 0.282 275 F C 0.584 176.436 175.800 0.086 0.000 0.957 275 F CA 1.074 59.093 58.000 0.032 0.000 1.168 275 F CB 0.634 39.653 39.000 0.030 0.000 0.958 275 F HN 0.563 nan 8.300 nan 0.000 0.702 276 H N 0.193 119.132 119.070 -0.218 0.000 3.037 276 H HA 0.303 4.861 4.556 0.002 0.000 0.336 276 H C 0.282 175.526 175.328 -0.140 0.000 1.323 276 H CA -0.405 55.446 56.048 -0.329 0.000 1.159 276 H CB 1.849 31.341 29.762 -0.450 0.000 1.882 276 H HN -0.055 nan 8.280 nan 0.000 0.535 277 M N 2.220 121.658 119.600 -0.270 0.000 2.288 277 M HA -0.049 4.432 4.480 0.002 0.000 0.266 277 M C 1.635 177.891 176.300 -0.074 0.000 1.072 277 M CA 1.296 56.504 55.300 -0.153 0.000 1.132 277 M CB -0.224 32.240 32.600 -0.226 0.000 1.386 277 M HN 0.475 nan 8.290 nan 0.000 0.432 278 V N -3.930 115.958 119.914 -0.042 0.000 3.398 278 V HA 0.584 4.705 4.120 0.002 0.000 0.298 278 V C 0.427 176.448 176.094 -0.122 0.000 1.496 278 V CA -0.164 61.894 62.300 -0.404 0.000 1.044 278 V CB -0.293 30.993 31.823 -0.896 0.000 0.880 278 V HN 0.107 nan 8.190 nan 0.000 0.443 279 A N 1.990 124.880 122.820 0.116 0.000 2.303 279 A HA 0.957 5.278 4.320 0.002 0.000 0.320 279 A C -2.994 174.760 177.584 0.284 0.000 1.192 279 A CA -1.831 50.266 52.037 0.099 0.000 0.821 279 A CB 1.018 19.895 19.000 -0.205 0.000 1.188 279 A HN 0.312 nan 8.150 nan 0.000 0.492 280 P HA 0.387 nan 4.420 nan 0.000 0.278 280 P C -0.068 177.188 177.300 -0.073 0.000 1.238 280 P CA -0.199 62.943 63.100 0.069 0.000 0.794 280 P CB 0.971 32.637 31.700 -0.056 0.000 0.955 281 A N 2.678 125.359 122.820 -0.231 0.000 2.566 281 A HA 0.280 4.601 4.320 0.002 0.000 0.245 281 A C 1.642 178.965 177.584 -0.435 0.000 1.056 281 A CA 0.506 52.157 52.037 -0.644 0.000 0.757 281 A CB -0.621 18.131 19.000 -0.412 0.000 0.979 281 A HN 0.619 nan 8.150 nan 0.000 0.508 282 A N 2.370 124.900 122.820 -0.483 0.000 2.015 282 A HA -0.097 4.224 4.320 0.002 0.000 0.219 282 A C 1.512 178.981 177.584 -0.192 0.000 1.163 282 A CA 1.729 53.612 52.037 -0.257 0.000 0.646 282 A CB -0.401 18.477 19.000 -0.203 0.000 0.806 282 A HN 0.919 nan 8.150 nan 0.000 0.448 283 D N -1.556 118.716 120.400 -0.214 0.000 2.349 283 D HA 0.180 4.821 4.640 0.002 0.000 0.224 283 D C 1.281 177.509 176.300 -0.119 0.000 1.029 283 D CA 0.850 54.766 54.000 -0.139 0.000 0.879 283 D CB -0.942 39.782 40.800 -0.125 0.000 0.906 283 D HN 0.633 nan 8.370 nan 0.000 0.528 284 G N 0.160 108.869 108.800 -0.152 0.000 2.200 284 G HA2 -0.387 3.574 3.960 0.002 0.000 0.268 284 G HA3 -0.387 3.574 3.960 0.002 0.000 0.268 284 G C 1.191 176.037 174.900 -0.091 0.000 0.986 284 G CA 0.783 45.800 45.100 -0.139 0.000 0.677 284 G HN 0.369 nan 8.290 nan 0.000 0.532 285 V N 0.657 120.524 119.914 -0.078 0.000 2.220 285 V HA -0.241 3.880 4.120 0.002 0.000 0.246 285 V C 2.972 179.053 176.094 -0.022 0.000 1.049 285 V CA 2.646 64.920 62.300 -0.043 0.000 1.003 285 V CB -0.385 31.414 31.823 -0.040 0.000 0.634 285 V HN 0.486 nan 8.190 nan 0.000 0.444 286 R N 0.203 120.690 120.500 -0.023 0.000 2.120 286 R HA -0.031 4.310 4.340 0.002 0.000 0.234 286 R C 2.251 178.573 176.300 0.036 0.000 1.123 286 R CA 1.442 57.548 56.100 0.009 0.000 0.975 286 R CB -1.374 28.935 30.300 0.015 0.000 0.866 286 R HN 0.570 nan 8.270 nan 0.000 0.446 287 A N 0.523 123.350 122.820 0.011 0.000 1.898 287 A HA -0.016 4.305 4.320 0.002 0.000 0.216 287 A C 2.382 180.052 177.584 0.143 0.000 1.181 287 A CA 1.658 53.748 52.037 0.088 0.000 0.620 287 A CB -0.906 17.989 19.000 -0.174 0.000 0.819 287 A HN 0.396 nan 8.150 nan 0.000 0.442 288 G N -0.900 107.937 108.800 0.062 0.000 2.484 288 G HA2 -0.130 3.831 3.960 0.002 0.000 0.218 288 G HA3 -0.130 3.831 3.960 0.002 0.000 0.218 288 G C 1.593 176.520 174.900 0.045 0.000 1.130 288 G CA 0.949 46.084 45.100 0.060 0.000 0.784 288 G HN 0.476 nan 8.290 nan 0.000 0.543 289 R N 1.229 121.753 120.500 0.039 0.000 2.148 289 R HA 0.162 4.503 4.340 0.002 0.000 0.227 289 R C 2.462 178.781 176.300 0.031 0.000 1.103 289 R CA 1.557 57.675 56.100 0.030 0.000 0.983 289 R CB -0.602 29.714 30.300 0.027 0.000 0.874 289 R HN 0.197 nan 8.270 nan 0.000 0.451 290 A N -0.245 122.604 122.820 0.049 0.000 2.021 290 A HA 0.039 4.360 4.320 0.002 0.000 0.216 290 A C 2.078 179.663 177.584 0.002 0.000 1.163 290 A CA 1.032 53.087 52.037 0.030 0.000 0.676 290 A CB -0.283 18.750 19.000 0.054 0.000 0.818 290 A HN 0.341 nan 8.150 nan 0.000 0.453 291 M N -0.746 118.868 119.600 0.023 0.000 2.132 291 M HA -0.106 4.375 4.480 0.002 0.000 0.263 291 M C 2.178 178.469 176.300 -0.016 0.000 1.065 291 M CA 1.865 57.165 55.300 0.000 0.000 1.122 291 M CB -0.742 31.875 32.600 0.029 0.000 1.365 291 M HN 0.388 nan 8.290 nan 0.000 0.411 292 T N -0.087 114.466 114.554 -0.002 0.000 2.708 292 T HA -0.156 4.195 4.350 0.002 0.000 0.266 292 T C 1.831 176.523 174.700 -0.015 0.000 1.037 292 T CA 1.403 63.499 62.100 -0.007 0.000 1.146 292 T CB -0.327 68.543 68.868 0.003 0.000 0.865 292 T HN 0.186 nan 8.240 nan 0.000 0.435 293 R N 1.865 122.359 120.500 -0.011 0.000 2.120 293 R HA -0.052 4.289 4.340 0.002 0.000 0.234 293 R C 2.535 178.813 176.300 -0.037 0.000 1.123 293 R CA 1.924 58.019 56.100 -0.008 0.000 0.975 293 R CB -0.936 29.364 30.300 0.001 0.000 0.866 293 R HN 0.489 nan 8.270 nan 0.000 0.446 294 S N -0.684 114.969 115.700 -0.079 0.000 2.428 294 S HA -0.032 4.439 4.470 0.002 0.000 0.230 294 S C 1.999 176.521 174.600 -0.129 0.000 1.014 294 S CA 0.780 58.888 58.200 -0.153 0.000 0.957 294 S CB -0.287 62.799 63.200 -0.189 0.000 0.784 294 S HN 0.355 nan 8.310 nan 0.000 0.499 295 L N 1.121 122.295 121.223 -0.081 0.000 2.007 295 L HA -0.036 4.305 4.340 0.002 0.000 0.205 295 L C 2.953 179.796 176.870 -0.044 0.000 1.073 295 L CA 1.719 56.515 54.840 -0.074 0.000 0.744 295 L CB -0.726 41.299 42.059 -0.057 0.000 0.898 295 L HN 0.368 nan 8.230 nan 0.000 0.435 296 E N 0.324 120.514 120.200 -0.017 0.000 2.108 296 E HA -0.293 4.058 4.350 0.002 0.000 0.203 296 E C 2.222 178.855 176.600 0.055 0.000 1.022 296 E CA 1.541 57.949 56.400 0.013 0.000 0.823 296 E CB -0.319 29.396 29.700 0.025 0.000 0.744 296 E HN 0.451 nan 8.360 nan 0.000 0.456 297 L N 0.020 121.296 121.223 0.088 0.000 2.217 297 L HA -0.083 4.258 4.340 0.002 0.000 0.211 297 L C 2.423 179.444 176.870 0.251 0.000 1.107 297 L CA 0.714 55.702 54.840 0.245 0.000 0.783 297 L CB -0.248 41.963 42.059 0.254 0.000 0.919 297 L HN 0.138 nan 8.230 nan 0.000 0.442 298 A N -0.550 122.309 122.820 0.066 0.000 2.072 298 A HA 0.249 4.570 4.320 0.002 0.000 0.216 298 A C 1.743 179.339 177.584 0.021 0.000 1.156 298 A CA 0.916 52.973 52.037 0.034 0.000 0.701 298 A CB -0.250 18.693 19.000 -0.096 0.000 0.816 298 A HN 0.483 nan 8.150 nan 0.000 0.458 299 G N -1.611 107.189 108.800 -0.000 0.000 2.130 299 G HA2 -0.152 3.809 3.960 0.002 0.000 0.216 299 G HA3 -0.152 3.809 3.960 0.002 0.000 0.216 299 G C -0.052 174.804 174.900 -0.074 0.000 0.999 299 G CA 0.273 45.360 45.100 -0.021 0.000 0.686 299 G HN 0.413 nan 8.290 nan 0.000 0.515 300 L N 0.336 121.494 121.223 -0.108 0.000 2.298 300 L HA 0.869 5.210 4.340 0.002 0.000 0.268 300 L C 0.905 177.721 176.870 -0.089 0.000 1.010 300 L CA -0.510 54.238 54.840 -0.154 0.000 0.812 300 L CB 1.957 43.850 42.059 -0.276 0.000 1.331 300 L HN 0.371 nan 8.230 nan 0.000 0.450 301 S N -1.618 114.036 115.700 -0.077 0.000 2.715 301 S HA 0.529 5.000 4.470 0.002 0.000 0.307 301 S C -2.383 172.201 174.600 -0.028 0.000 1.119 301 S CA -1.347 56.829 58.200 -0.039 0.000 0.937 301 S CB 1.671 64.858 63.200 -0.021 0.000 1.150 301 S HN 0.308 nan 8.310 nan 0.000 0.521 302 P HA 0.039 nan 4.420 nan 0.000 0.221 302 P C 1.372 178.685 177.300 0.021 0.000 1.145 302 P CA 1.477 64.580 63.100 0.005 0.000 0.795 302 P CB -0.261 31.443 31.700 0.007 0.000 0.775 303 A N -0.064 122.768 122.820 0.020 0.000 2.019 303 A HA -0.198 4.123 4.320 0.002 0.000 0.219 303 A C 1.874 179.496 177.584 0.063 0.000 1.164 303 A CA 1.701 53.760 52.037 0.036 0.000 0.644 303 A CB -1.036 17.982 19.000 0.029 0.000 0.805 303 A HN 0.152 nan 8.150 nan 0.000 0.449 304 D N -0.518 119.919 120.400 0.061 0.000 2.348 304 D HA 0.064 4.705 4.640 0.002 0.000 0.211 304 D C 0.090 176.515 176.300 0.208 0.000 0.998 304 D CA 0.225 54.306 54.000 0.135 0.000 0.873 304 D CB 0.119 40.930 40.800 0.018 0.000 0.925 304 D HN 0.235 nan 8.370 nan 0.000 0.524 305 I N 2.591 123.241 120.570 0.132 0.000 2.294 305 I HA 0.002 4.173 4.170 0.002 0.000 0.295 305 I C 0.743 176.956 176.117 0.160 0.000 1.098 305 I CA 0.155 61.546 61.300 0.150 0.000 1.277 305 I CB 0.909 38.957 38.000 0.080 0.000 1.434 305 I HN -0.209 nan 8.210 nan 0.000 0.498 306 D N 3.368 123.902 120.400 0.224 0.000 2.327 306 D HA -0.014 4.627 4.640 0.002 0.000 0.205 306 D C 0.542 177.010 176.300 0.280 0.000 0.989 306 D CA 0.963 55.117 54.000 0.256 0.000 0.873 306 D CB 0.306 41.304 40.800 0.329 0.000 0.955 306 D HN 0.543 nan 8.370 nan 0.000 0.515 307 H N -0.279 118.847 119.070 0.092 0.000 2.856 307 H HA 0.461 5.018 4.556 0.002 0.000 0.355 307 H C -1.724 173.614 175.328 0.016 0.000 1.079 307 H CA -0.700 55.340 56.048 -0.013 0.000 1.240 307 H CB 1.332 30.997 29.762 -0.160 0.000 1.701 307 H HN -0.360 nan 8.280 nan 0.000 0.527 308 V N 6.017 125.706 119.914 -0.375 0.000 2.326 308 V HA 0.211 4.332 4.120 0.002 0.000 0.281 308 V C 0.193 175.990 176.094 -0.495 0.000 1.015 308 V CA -0.981 61.093 62.300 -0.376 0.000 0.823 308 V CB 1.045 32.789 31.823 -0.132 0.000 1.009 308 V HN 0.819 nan 8.190 nan 0.000 0.436 309 N N 3.859 122.219 118.700 -0.567 0.000 2.405 309 N HA 0.309 5.050 4.740 0.002 0.000 0.260 309 N C -0.003 175.444 175.510 -0.106 0.000 1.152 309 N CA -0.017 52.889 53.050 -0.240 0.000 0.948 309 N CB 1.516 39.934 38.487 -0.114 0.000 1.111 309 N HN 0.807 nan 8.380 nan 0.000 0.485 310 A N 3.059 125.858 122.820 -0.035 0.000 2.309 310 A HA 0.125 4.446 4.320 0.002 0.000 0.298 310 A C 1.031 178.651 177.584 0.060 0.000 1.165 310 A CA -0.427 51.663 52.037 0.087 0.000 0.821 310 A CB 0.482 19.634 19.000 0.254 0.000 1.102 310 A HN 0.909 nan 8.150 nan 0.000 0.500 311 H N 2.777 121.858 119.070 0.018 0.000 2.421 311 H HA 0.014 4.571 4.556 0.002 0.000 0.298 311 H C 1.550 176.842 175.328 -0.060 0.000 1.087 311 H CA 1.371 57.388 56.048 -0.053 0.000 1.330 311 H CB -0.340 29.444 29.762 0.035 0.000 1.388 311 H HN 0.974 nan 8.280 nan 0.000 0.526 312 G N 0.801 109.608 108.800 0.013 0.000 2.741 312 G HA2 -0.297 3.664 3.960 0.002 0.000 0.341 312 G HA3 -0.297 3.664 3.960 0.002 0.000 0.341 312 G C 1.112 175.768 174.900 -0.408 0.000 0.174 312 G CA 0.942 45.875 45.100 -0.279 0.000 1.200 312 G HN 0.727 nan 8.290 nan 0.000 0.461 313 T N -0.562 113.770 114.554 -0.370 0.000 3.014 313 T HA 0.412 4.763 4.350 0.002 0.000 0.263 313 T C 1.727 176.348 174.700 -0.132 0.000 1.078 313 T CA 1.287 63.210 62.100 -0.295 0.000 1.135 313 T CB 0.152 68.924 68.868 -0.161 0.000 0.895 313 T HN 2.300 nan 8.240 nan 0.000 0.480 314 A N 0.697 123.408 122.820 -0.181 0.000 4.025 314 A HA -0.007 4.314 4.320 0.002 0.000 0.193 314 A C 0.649 178.203 177.584 -0.051 0.000 1.282 314 A CA 0.418 52.373 52.037 -0.136 0.000 1.307 314 A CB -2.699 16.250 19.000 -0.085 0.000 0.995 314 A HN 1.229 nan 8.150 nan 0.000 0.781 315 T N -2.796 111.753 114.554 -0.009 0.000 2.882 315 T HA 0.625 4.976 4.350 0.002 0.000 0.287 315 T C -1.160 173.545 174.700 0.009 0.000 0.992 315 T CA -1.282 60.843 62.100 0.041 0.000 1.076 315 T CB 1.589 70.537 68.868 0.134 0.000 0.961 315 T HN -0.042 nan 8.240 nan 0.000 0.490 316 P HA -0.111 nan 4.420 nan 0.000 0.215 316 P C 1.455 178.767 177.300 0.020 0.000 1.157 316 P CA 0.519 63.627 63.100 0.012 0.000 0.874 316 P CB 0.010 31.718 31.700 0.012 0.000 0.790 317 I N -0.759 119.829 120.570 0.031 0.000 2.333 317 I HA 0.038 4.209 4.170 0.002 0.000 0.246 317 I C 2.068 178.204 176.117 0.031 0.000 1.106 317 I CA 1.561 62.877 61.300 0.027 0.000 1.411 317 I CB -1.378 36.640 38.000 0.030 0.000 1.082 317 I HN -0.138 nan 8.210 nan 0.000 0.420 318 G N 0.148 108.985 108.800 0.061 0.000 2.480 318 G HA2 -0.292 3.669 3.960 0.002 0.000 0.216 318 G HA3 -0.292 3.669 3.960 0.002 0.000 0.216 318 G C 1.340 176.264 174.900 0.038 0.000 1.200 318 G CA 1.145 46.289 45.100 0.075 0.000 0.782 318 G HN 0.393 nan 8.290 nan 0.000 0.554 319 D N 0.867 121.261 120.400 -0.010 0.000 2.182 319 D HA -0.023 4.618 4.640 0.002 0.000 0.201 319 D C 2.702 179.094 176.300 0.153 0.000 0.986 319 D CA 1.256 55.242 54.000 -0.023 0.000 0.847 319 D CB -0.364 40.284 40.800 -0.253 0.000 0.942 319 D HN 0.334 nan 8.370 nan 0.000 0.467 320 A N 0.491 123.360 122.820 0.082 0.000 1.968 320 A HA 0.122 4.444 4.320 0.002 0.000 0.217 320 A C 2.245 179.846 177.584 0.028 0.000 1.169 320 A CA 1.648 53.728 52.037 0.072 0.000 0.638 320 A CB -0.540 18.482 19.000 0.037 0.000 0.812 320 A HN 0.219 nan 8.150 nan 0.000 0.446 321 A N -0.152 122.658 122.820 -0.017 0.000 1.873 321 A HA -0.172 4.149 4.320 0.002 0.000 0.215 321 A C 2.017 179.539 177.584 -0.104 0.000 1.186 321 A CA 1.766 53.745 52.037 -0.098 0.000 0.616 321 A CB -0.535 18.366 19.000 -0.164 0.000 0.823 321 A HN 0.621 nan 8.150 nan 0.000 0.442 322 E N -0.262 119.911 120.200 -0.045 0.000 2.106 322 E HA -0.075 4.276 4.350 0.002 0.000 0.192 322 E C 2.109 178.776 176.600 0.110 0.000 0.984 322 E CA 0.868 57.292 56.400 0.040 0.000 0.806 322 E CB -0.240 29.625 29.700 0.275 0.000 0.750 322 E HN 0.538 nan 8.360 nan 0.000 0.458 323 A N 1.404 124.312 122.820 0.147 0.000 1.908 323 A HA -0.226 4.095 4.320 0.002 0.000 0.218 323 A C 1.925 179.524 177.584 0.026 0.000 1.181 323 A CA 1.707 53.793 52.037 0.081 0.000 0.627 323 A CB -0.568 18.500 19.000 0.115 0.000 0.818 323 A HN 0.282 nan 8.150 nan 0.000 0.445 324 N N 0.062 118.768 118.700 0.010 0.000 2.270 324 N HA -0.023 4.718 4.740 0.002 0.000 0.181 324 N C 1.890 177.389 175.510 -0.018 0.000 1.016 324 N CA 1.213 54.255 53.050 -0.014 0.000 0.870 324 N CB -0.396 38.069 38.487 -0.035 0.000 0.979 324 N HN 0.483 nan 8.380 nan 0.000 0.431 325 A N 1.382 124.189 122.820 -0.022 0.000 1.902 325 A HA -0.049 4.272 4.320 0.002 0.000 0.217 325 A C 2.292 179.894 177.584 0.031 0.000 1.181 325 A CA 0.866 52.899 52.037 -0.007 0.000 0.623 325 A CB -0.566 18.419 19.000 -0.025 0.000 0.818 325 A HN 0.150 nan 8.150 nan 0.000 0.443 326 I N -1.145 119.450 120.570 0.041 0.000 2.252 326 I HA -0.214 3.957 4.170 0.002 0.000 0.245 326 I C 2.658 178.781 176.117 0.010 0.000 1.102 326 I CA 1.491 62.808 61.300 0.030 0.000 1.385 326 I CB -0.250 37.758 38.000 0.013 0.000 1.064 326 I HN 0.338 nan 8.210 nan 0.000 0.414 327 R N 0.559 121.060 120.500 0.003 0.000 2.091 327 R HA -0.172 4.169 4.340 0.002 0.000 0.238 327 R C 2.243 178.543 176.300 0.001 0.000 1.136 327 R CA 1.610 57.709 56.100 -0.001 0.000 0.959 327 R CB -0.173 30.125 30.300 -0.004 0.000 0.856 327 R HN 0.167 nan 8.270 nan 0.000 0.437 328 V N 0.548 120.462 119.914 -0.000 0.000 2.379 328 V HA -0.145 3.976 4.120 0.002 0.000 0.245 328 V C 2.266 178.362 176.094 0.005 0.000 1.044 328 V CA 1.802 64.101 62.300 -0.001 0.000 1.036 328 V CB -0.365 31.454 31.823 -0.007 0.000 0.664 328 V HN 0.546 nan 8.190 nan 0.000 0.453 329 A N -0.563 122.264 122.820 0.012 0.000 2.121 329 A HA 0.250 4.572 4.320 0.002 0.000 0.218 329 A C 1.951 179.540 177.584 0.008 0.000 1.154 329 A CA 1.245 53.290 52.037 0.013 0.000 0.679 329 A CB -0.628 18.385 19.000 0.021 0.000 0.795 329 A HN 1.324 nan 8.150 nan 0.000 0.458 330 G N -2.954 105.851 108.800 0.008 0.000 2.142 330 G HA2 -0.238 3.723 3.960 0.002 0.000 0.225 330 G HA3 -0.238 3.723 3.960 0.002 0.000 0.225 330 G C 0.324 175.231 174.900 0.011 0.000 1.015 330 G CA 0.156 45.261 45.100 0.008 0.000 0.716 330 G HN 0.691 nan 8.290 nan 0.000 0.508 331 C N 1.358 120.665 119.300 0.011 0.000 2.760 331 C HA 0.276 4.737 4.460 0.002 0.000 0.293 331 C C 1.859 176.854 174.990 0.008 0.000 1.383 331 C CA -0.064 58.963 59.018 0.014 0.000 1.771 331 C CB -0.513 27.235 27.740 0.014 0.000 2.353 331 C HN 0.682 nan 8.230 nan 0.000 0.578 332 D N 0.231 120.633 120.400 0.003 0.000 2.371 332 D HA -0.129 4.512 4.640 0.002 0.000 0.221 332 D C 1.445 177.744 176.300 -0.002 0.000 0.986 332 D CA 0.875 54.870 54.000 -0.008 0.000 0.899 332 D CB -0.093 40.702 40.800 -0.008 0.000 0.902 332 D HN 0.416 nan 8.370 nan 0.000 0.530 333 Q N 0.241 120.050 119.800 0.014 0.000 2.319 333 Q HA 0.313 4.654 4.340 0.002 0.000 0.202 333 Q C 0.716 176.741 176.000 0.042 0.000 0.896 333 Q CA -0.075 55.743 55.803 0.025 0.000 0.942 333 Q CB 0.660 29.416 28.738 0.031 0.000 1.083 333 Q HN 0.362 nan 8.270 nan 0.000 0.510 334 A N 0.801 123.646 122.820 0.043 0.000 2.272 334 A HA 0.634 4.956 4.320 0.002 0.000 0.275 334 A C -0.126 177.499 177.584 0.067 0.000 1.096 334 A CA -0.076 52.006 52.037 0.075 0.000 0.822 334 A CB 0.395 19.437 19.000 0.071 0.000 1.088 334 A HN 0.205 nan 8.150 nan 0.000 0.495 335 A N 0.870 123.761 122.820 0.119 0.000 2.437 335 A HA 0.509 4.830 4.320 0.002 0.000 0.303 335 A C -0.146 177.513 177.584 0.124 0.000 1.324 335 A CA -0.302 51.792 52.037 0.096 0.000 0.983 335 A CB -0.720 18.341 19.000 0.102 0.000 1.142 335 A HN 0.872 nan 8.150 nan 0.000 0.541 336 V N 4.056 123.982 119.914 0.020 0.000 2.432 336 V HA 0.184 4.305 4.120 0.002 0.000 0.271 336 V C -0.271 175.873 176.094 0.083 0.000 1.046 336 V CA -0.186 62.106 62.300 -0.013 0.000 0.945 336 V CB 0.244 31.951 31.823 -0.193 0.000 0.992 336 V HN 0.723 nan 8.190 nan 0.000 0.471 337 Y N 4.233 124.559 120.300 0.042 0.000 2.429 337 Y HA 0.727 5.278 4.550 0.002 0.000 0.342 337 Y C -0.024 175.923 175.900 0.079 0.000 1.004 337 Y CA -1.698 56.440 58.100 0.063 0.000 1.075 337 Y CB 1.904 40.453 38.460 0.148 0.000 1.214 337 Y HN 0.624 nan 8.280 nan 0.000 0.455 338 A N 8.164 130.712 122.820 -0.454 0.000 2.709 338 A HA 0.487 4.808 4.320 0.002 0.000 0.332 338 A C -2.489 174.709 177.584 -0.643 0.000 1.241 338 A CA -1.547 50.253 52.037 -0.395 0.000 0.782 338 A CB 0.538 19.552 19.000 0.024 0.000 1.109 338 A HN 0.632 nan 8.150 nan 0.000 0.472 339 P HA -0.174 nan 4.420 nan 0.000 0.219 339 P C 1.174 178.335 177.300 -0.231 0.000 1.146 339 P CA 1.257 64.048 63.100 -0.515 0.000 0.808 339 P CB 0.171 31.681 31.700 -0.317 0.000 0.779 340 K N -0.146 120.109 120.400 -0.242 0.000 2.442 340 K HA -0.087 4.235 4.320 0.002 0.000 0.199 340 K C 2.059 178.600 176.600 -0.099 0.000 1.044 340 K CA 1.557 57.739 56.287 -0.175 0.000 0.941 340 K CB -0.485 31.857 32.500 -0.264 0.000 0.759 340 K HN 0.293 nan 8.250 nan 0.000 0.472 341 S N 0.243 115.886 115.700 -0.096 0.000 2.428 341 S HA -0.042 4.429 4.470 0.002 0.000 0.230 341 S C 1.966 176.569 174.600 0.005 0.000 1.014 341 S CA 0.829 59.012 58.200 -0.029 0.000 0.957 341 S CB 0.135 63.338 63.200 0.005 0.000 0.784 341 S HN 0.297 nan 8.310 nan 0.000 0.499 342 A N 0.175 122.999 122.820 0.007 0.000 2.138 342 A HA 0.600 4.921 4.320 0.002 0.000 0.203 342 A C 1.831 179.437 177.584 0.037 0.000 1.286 342 A CA -0.071 51.987 52.037 0.035 0.000 0.929 342 A CB 0.028 19.065 19.000 0.061 0.000 0.975 342 A HN 0.434 nan 8.150 nan 0.000 0.480 343 L N -1.117 120.118 121.223 0.020 0.000 2.701 343 L HA 0.393 4.734 4.340 0.002 0.000 0.238 343 L C 1.223 178.116 176.870 0.037 0.000 1.106 343 L CA 0.480 55.341 54.840 0.035 0.000 0.898 343 L CB 0.351 42.430 42.059 0.034 0.000 1.188 343 L HN 0.586 nan 8.230 nan 0.000 0.508 344 G N 0.044 108.855 108.800 0.018 0.000 2.760 344 G HA2 -0.268 3.693 3.960 0.002 0.000 0.246 344 G HA3 -0.268 3.693 3.960 0.002 0.000 0.246 344 G C -0.866 174.076 174.900 0.070 0.000 1.359 344 G CA -0.634 44.504 45.100 0.064 0.000 0.861 344 G HN 0.215 nan 8.290 nan 0.000 0.541 345 H N 0.676 119.787 119.070 0.067 0.000 2.556 345 H HA 0.622 5.179 4.556 0.002 0.000 0.310 345 H C 1.318 176.690 175.328 0.075 0.000 1.057 345 H CA -0.041 55.995 56.048 -0.020 0.000 1.264 345 H CB 1.111 30.747 29.762 -0.210 0.000 1.404 345 H HN 0.806 nan 8.280 nan 0.000 0.462 346 S N 5.063 120.937 115.700 0.289 0.000 2.575 346 S HA 0.149 4.620 4.470 0.002 0.000 0.237 346 S C 1.283 175.933 174.600 0.083 0.000 0.975 346 S CA -0.335 57.941 58.200 0.128 0.000 0.960 346 S CB 0.010 63.258 63.200 0.080 0.000 0.822 346 S HN 0.569 nan 8.310 nan 0.000 0.472 347 I N 1.457 122.101 120.570 0.123 0.000 4.896 347 I HA -0.359 3.812 4.170 0.002 0.000 0.038 347 I C 2.162 178.297 176.117 0.029 0.000 0.635 347 I CA 2.064 63.293 61.300 -0.118 0.000 0.268 347 I CB -2.251 35.609 38.000 -0.233 0.000 0.352 347 I HN 0.455 nan 8.210 nan 0.000 0.150 348 G N -0.070 108.733 108.800 0.004 0.000 2.448 348 G HA2 0.164 4.125 3.960 0.002 0.000 0.218 348 G HA3 0.164 4.125 3.960 0.002 0.000 0.218 348 G C 1.493 176.413 174.900 0.034 0.000 1.135 348 G CA 1.683 46.794 45.100 0.019 0.000 0.784 348 G HN 0.937 nan 8.290 nan 0.000 0.543 349 A N -0.162 122.684 122.820 0.044 0.000 2.030 349 A HA 0.330 4.652 4.320 0.002 0.000 0.215 349 A C 2.386 180.000 177.584 0.050 0.000 1.164 349 A CA 1.015 53.081 52.037 0.048 0.000 0.697 349 A CB -0.402 18.631 19.000 0.054 0.000 0.827 349 A HN 0.224 nan 8.150 nan 0.000 0.457 350 V N 0.347 120.302 119.914 0.067 0.000 2.380 350 V HA -0.215 3.906 4.120 0.002 0.000 0.251 350 V C 2.491 178.592 176.094 0.012 0.000 1.063 350 V CA 2.403 64.728 62.300 0.041 0.000 1.055 350 V CB -0.824 31.023 31.823 0.040 0.000 0.657 350 V HN 0.560 nan 8.190 nan 0.000 0.455 351 G N -1.490 107.325 108.800 0.025 0.000 2.470 351 G HA2 -0.124 3.837 3.960 0.002 0.000 0.220 351 G HA3 -0.124 3.837 3.960 0.002 0.000 0.220 351 G C 1.611 176.520 174.900 0.015 0.000 1.121 351 G CA 0.938 46.041 45.100 0.005 0.000 0.766 351 G HN 0.701 nan 8.290 nan 0.000 0.553 352 A N 0.191 123.027 122.820 0.027 0.000 1.943 352 A HA 0.292 4.613 4.320 0.002 0.000 0.213 352 A C 2.215 179.817 177.584 0.031 0.000 1.181 352 A CA 1.155 53.215 52.037 0.038 0.000 0.653 352 A CB -0.312 18.713 19.000 0.043 0.000 0.833 352 A HN 0.363 nan 8.150 nan 0.000 0.451 353 L N 0.558 121.799 121.223 0.029 0.000 2.012 353 L HA -0.151 4.190 4.340 0.002 0.000 0.210 353 L C 1.940 178.822 176.870 0.021 0.000 1.073 353 L CA 2.510 57.368 54.840 0.031 0.000 0.748 353 L CB -0.822 41.259 42.059 0.037 0.000 0.891 353 L HN 0.513 nan 8.230 nan 0.000 0.431 354 E N -1.248 118.955 120.200 0.005 0.000 2.208 354 E HA -0.121 4.230 4.350 0.002 0.000 0.193 354 E C 2.143 178.730 176.600 -0.023 0.000 0.988 354 E CA 0.959 57.355 56.400 -0.005 0.000 0.828 354 E CB 0.016 29.692 29.700 -0.040 0.000 0.763 354 E HN 0.474 nan 8.360 nan 0.000 0.478 355 S N 0.128 115.820 115.700 -0.015 0.000 2.368 355 S HA -0.110 4.361 4.470 0.002 0.000 0.224 355 S C 2.070 176.565 174.600 -0.176 0.000 1.029 355 S CA 0.764 58.942 58.200 -0.037 0.000 0.988 355 S CB 0.003 63.270 63.200 0.112 0.000 0.838 355 S HN 0.080 nan 8.310 nan 0.000 0.462 356 V N 2.097 121.957 119.914 -0.090 0.000 2.720 356 V HA -0.097 4.024 4.120 0.002 0.000 0.256 356 V C 1.895 177.871 176.094 -0.197 0.000 1.082 356 V CA 1.273 63.498 62.300 -0.124 0.000 1.101 356 V CB -0.733 31.060 31.823 -0.050 0.000 0.693 356 V HN 0.423 nan 8.190 nan 0.000 0.479 357 L N -0.649 120.506 121.223 -0.112 0.000 2.162 357 L HA -0.042 4.299 4.340 0.002 0.000 0.205 357 L C 2.540 179.337 176.870 -0.121 0.000 1.086 357 L CA 1.312 56.127 54.840 -0.041 0.000 0.778 357 L CB -0.923 41.298 42.059 0.270 0.000 0.928 357 L HN 0.294 nan 8.230 nan 0.000 0.446 358 T N -0.166 114.287 114.554 -0.168 0.000 2.881 358 T HA -0.155 4.196 4.350 0.002 0.000 0.270 358 T C 1.911 176.356 174.700 -0.426 0.000 1.068 358 T CA 1.483 63.450 62.100 -0.221 0.000 1.131 358 T CB -0.231 68.428 68.868 -0.347 0.000 0.871 358 T HN 0.331 nan 8.240 nan 0.000 0.479 359 V N 0.182 119.753 119.914 -0.572 0.000 2.535 359 V HA 0.038 4.159 4.120 0.002 0.000 0.246 359 V C 2.155 178.025 176.094 -0.373 0.000 1.045 359 V CA 0.985 63.017 62.300 -0.446 0.000 1.058 359 V CB -0.726 30.883 31.823 -0.358 0.000 0.689 359 V HN 0.216 nan 8.190 nan 0.000 0.461 360 L N 1.142 122.032 121.223 -0.555 0.000 2.079 360 L HA -0.101 4.240 4.340 0.002 0.000 0.210 360 L C 2.779 179.244 176.870 -0.676 0.000 1.081 360 L CA 2.701 57.001 54.840 -0.901 0.000 0.752 360 L CB -1.521 39.459 42.059 -1.799 0.000 0.896 360 L HN 0.410 nan 8.230 nan 0.000 0.433 361 T N -0.793 113.517 114.554 -0.407 0.000 2.788 361 T HA -0.127 4.224 4.350 0.002 0.000 0.268 361 T C 1.957 176.620 174.700 -0.062 0.000 1.044 361 T CA 1.148 63.204 62.100 -0.074 0.000 1.139 361 T CB -0.122 68.652 68.868 -0.157 0.000 0.867 361 T HN 0.184 nan 8.240 nan 0.000 0.454 362 L N 0.201 121.375 121.223 -0.082 0.000 2.095 362 L HA 0.082 4.423 4.340 0.002 0.000 0.204 362 L C 2.803 179.676 176.870 0.004 0.000 1.080 362 L CA 1.027 55.868 54.840 0.002 0.000 0.759 362 L CB -0.438 41.627 42.059 0.010 0.000 0.914 362 L HN 0.093 nan 8.230 nan 0.000 0.439 363 R N 0.321 120.786 120.500 -0.059 0.000 2.083 363 R HA -0.186 4.155 4.340 0.002 0.000 0.237 363 R C 1.189 177.490 176.300 0.001 0.000 1.137 363 R CA 2.058 58.133 56.100 -0.041 0.000 0.951 363 R CB -0.064 30.168 30.300 -0.114 0.000 0.851 363 R HN 0.300 nan 8.270 nan 0.000 0.434 364 D N -1.307 119.096 120.400 0.006 0.000 2.350 364 D HA 0.126 4.767 4.640 0.002 0.000 0.213 364 D C 0.559 176.955 176.300 0.159 0.000 1.031 364 D CA 0.914 54.978 54.000 0.107 0.000 0.861 364 D CB 0.634 41.553 40.800 0.199 0.000 0.926 364 D HN 0.497 nan 8.370 nan 0.000 0.520 365 G N 1.083 109.973 108.800 0.151 0.000 2.295 365 G HA2 -0.184 3.777 3.960 0.002 0.000 0.287 365 G HA3 -0.184 3.777 3.960 0.002 0.000 0.287 365 G C -0.034 175.028 174.900 0.270 0.000 1.055 365 G CA 0.609 45.845 45.100 0.227 0.000 0.922 365 G HN 0.433 nan 8.290 nan 0.000 0.503 366 V N 0.284 120.293 119.914 0.158 0.000 2.752 366 V HA 0.658 4.779 4.120 0.002 0.000 0.302 366 V C -0.434 175.493 176.094 -0.278 0.000 1.133 366 V CA -1.172 61.043 62.300 -0.141 0.000 0.919 366 V CB 1.642 33.134 31.823 -0.552 0.000 1.026 366 V HN 0.383 nan 8.190 nan 0.000 0.429 367 I N 8.850 129.138 120.570 -0.470 0.000 2.321 367 I HA 0.451 4.622 4.170 0.002 0.000 0.291 367 I C -2.197 173.504 176.117 -0.694 0.000 0.998 367 I CA -2.015 58.882 61.300 -0.672 0.000 1.227 367 I CB 1.937 39.471 38.000 -0.777 0.000 1.368 367 I HN 0.464 nan 8.210 nan 0.000 0.466 368 P HA 0.159 nan 4.420 nan 0.000 0.271 368 P C -2.604 174.243 177.300 -0.754 0.000 1.244 368 P CA -1.147 61.423 63.100 -0.884 0.000 0.793 368 P CB -0.204 30.895 31.700 -1.002 0.000 0.984 369 P HA 0.187 nan 4.420 nan 0.000 0.290 369 P C -0.793 176.567 177.300 0.099 0.000 1.276 369 P CA -0.201 62.825 63.100 -0.123 0.000 0.808 369 P CB 0.173 31.832 31.700 -0.068 0.000 0.966 370 T N 4.042 118.713 114.554 0.194 0.000 2.752 370 T HA 0.223 4.574 4.350 0.002 0.000 0.295 370 T C 0.607 175.406 174.700 0.165 0.000 0.923 370 T CA -0.280 61.965 62.100 0.242 0.000 1.112 370 T CB -0.296 68.657 68.868 0.143 0.000 0.884 370 T HN 0.180 nan 8.240 nan 0.000 0.525 371 L N 4.098 125.405 121.223 0.139 0.000 2.426 371 L HA 0.179 4.521 4.340 0.002 0.000 0.271 371 L C 0.732 177.676 176.870 0.123 0.000 1.169 371 L CA -0.417 54.488 54.840 0.108 0.000 0.836 371 L CB 0.067 42.171 42.059 0.074 0.000 1.112 371 L HN 0.751 nan 8.230 nan 0.000 0.465 372 N N 1.115 119.883 118.700 0.114 0.000 2.776 372 N HA -0.281 4.460 4.740 0.002 0.000 0.249 372 N C -0.771 174.829 175.510 0.150 0.000 1.111 372 N CA 0.760 53.869 53.050 0.098 0.000 0.711 372 N CB -1.564 36.960 38.487 0.062 0.000 1.065 372 N HN 0.579 nan 8.380 nan 0.000 0.556 373 Y N 1.188 121.521 120.300 0.054 0.000 2.804 373 Y HA 0.305 4.856 4.550 0.001 0.000 0.330 373 Y C 1.171 177.102 175.900 0.052 0.000 1.092 373 Y CA -0.163 57.978 58.100 0.070 0.000 1.315 373 Y CB 0.266 38.786 38.460 0.099 0.000 1.188 373 Y HN 0.080 nan 8.280 nan 0.000 0.512 374 E N 1.225 121.316 120.200 -0.182 0.000 2.357 374 E HA 0.129 4.480 4.350 0.002 0.000 0.202 374 E C -0.230 176.241 176.600 -0.214 0.000 0.855 374 E CA 0.226 56.542 56.400 -0.141 0.000 1.048 374 E CB 0.603 30.271 29.700 -0.054 0.000 1.037 374 E HN 0.289 nan 8.360 nan 0.000 0.499 375 T N 4.277 118.696 114.554 -0.224 0.000 2.853 375 T HA 0.320 4.671 4.350 0.002 0.000 0.317 375 T C -2.618 171.918 174.700 -0.273 0.000 1.059 375 T CA -1.544 60.440 62.100 -0.192 0.000 0.954 375 T CB 1.452 70.258 68.868 -0.102 0.000 0.994 375 T HN -0.115 nan 8.240 nan 0.000 0.479 376 P HA 0.153 nan 4.420 nan 0.000 0.272 376 P C -0.358 176.907 177.300 -0.058 0.000 1.230 376 P CA -0.519 62.424 63.100 -0.262 0.000 0.788 376 P CB 0.563 32.177 31.700 -0.143 0.000 0.949 377 D N 2.130 122.557 120.400 0.046 0.000 2.347 377 D HA 0.096 4.737 4.640 0.002 0.000 0.235 377 D C -1.348 174.989 176.300 0.063 0.000 1.149 377 D CA -2.167 51.870 54.000 0.063 0.000 0.850 377 D CB 0.733 41.599 40.800 0.111 0.000 1.061 377 D HN 0.153 nan 8.370 nan 0.000 0.487 378 P HA -0.136 nan 4.420 nan 0.000 0.221 378 P C 0.711 178.033 177.300 0.036 0.000 1.145 378 P CA 0.725 63.843 63.100 0.031 0.000 0.795 378 P CB 0.649 32.360 31.700 0.018 0.000 0.775 379 E N -1.096 119.129 120.200 0.042 0.000 2.481 379 E HA 0.073 4.424 4.350 0.002 0.000 0.195 379 E C 1.848 178.480 176.600 0.055 0.000 1.047 379 E CA 0.218 56.642 56.400 0.041 0.000 0.867 379 E CB -0.523 29.199 29.700 0.037 0.000 0.858 379 E HN 0.326 nan 8.360 nan 0.000 0.513 380 I N -0.547 120.070 120.570 0.077 0.000 3.025 380 I HA -0.006 4.165 4.170 0.002 0.000 0.236 380 I C 0.022 176.168 176.117 0.048 0.000 1.063 380 I CA 0.343 61.699 61.300 0.092 0.000 1.476 380 I CB 0.442 38.551 38.000 0.182 0.000 1.331 380 I HN -0.056 nan 8.210 nan 0.000 0.457 381 D N 1.096 121.525 120.400 0.050 0.000 2.845 381 D HA -0.105 4.536 4.640 0.002 0.000 0.247 381 D C -1.111 175.182 176.300 -0.012 0.000 1.062 381 D CA 0.332 54.348 54.000 0.027 0.000 0.774 381 D CB -1.104 39.709 40.800 0.022 0.000 1.064 381 D HN 0.089 nan 8.370 nan 0.000 0.433 382 L N 0.073 121.269 121.223 -0.044 0.000 2.309 382 L HA 0.536 4.877 4.340 0.002 0.000 0.261 382 L C 0.503 177.320 176.870 -0.088 0.000 1.021 382 L CA -1.200 53.573 54.840 -0.111 0.000 0.823 382 L CB 1.307 43.203 42.059 -0.272 0.000 1.366 382 L HN -0.083 nan 8.230 nan 0.000 0.423 383 D N 1.231 121.580 120.400 -0.085 0.000 2.508 383 D HA 0.184 4.825 4.640 0.002 0.000 0.224 383 D C -0.767 175.462 176.300 -0.118 0.000 1.171 383 D CA -0.038 53.928 54.000 -0.057 0.000 1.006 383 D CB 0.351 41.144 40.800 -0.012 0.000 1.073 383 D HN 0.068 nan 8.370 nan 0.000 0.513 384 V N 4.385 124.173 119.914 -0.209 0.000 2.389 384 V HA 0.080 4.201 4.120 0.002 0.000 0.264 384 V C 0.511 176.457 176.094 -0.247 0.000 1.049 384 V CA -0.769 61.304 62.300 -0.378 0.000 0.932 384 V CB 1.264 32.515 31.823 -0.954 0.000 1.011 384 V HN 0.213 nan 8.190 nan 0.000 0.475 385 V N 5.673 125.515 119.914 -0.120 0.000 2.540 385 V HA 0.524 4.645 4.120 0.002 0.000 0.297 385 V C 0.610 176.672 176.094 -0.053 0.000 1.024 385 V CA 0.787 63.046 62.300 -0.068 0.000 1.105 385 V CB 0.262 32.034 31.823 -0.085 0.000 0.938 385 V HN 1.078 nan 8.190 nan 0.000 0.482 386 A N 3.577 126.392 122.820 -0.007 0.000 2.586 386 A HA 0.832 5.153 4.320 0.002 0.000 0.290 386 A C 0.618 178.238 177.584 0.060 0.000 1.086 386 A CA 0.246 52.316 52.037 0.055 0.000 0.665 386 A CB 1.028 20.125 19.000 0.162 0.000 1.279 386 A HN 1.880 nan 8.150 nan 0.000 0.423 387 G N -0.135 108.702 108.800 0.063 0.000 4.677 387 G HA2 -0.052 3.909 3.960 0.002 0.000 0.215 387 G HA3 -0.052 3.909 3.960 0.002 0.000 0.215 387 G C -0.022 174.887 174.900 0.015 0.000 1.506 387 G CA 0.999 46.126 45.100 0.045 0.000 1.016 387 G HN 1.469 nan 8.290 nan 0.000 0.653 388 E N 0.999 121.198 120.200 -0.001 0.000 2.446 388 E HA 0.649 5.000 4.350 0.002 0.000 0.276 388 E C -2.905 173.657 176.600 -0.064 0.000 0.969 388 E CA -1.747 54.639 56.400 -0.022 0.000 0.800 388 E CB 1.336 31.039 29.700 0.005 0.000 1.341 388 E HN 0.333 nan 8.360 nan 0.000 0.460 389 P HA 0.067 nan 4.420 nan 0.000 0.269 389 P C -0.893 176.335 177.300 -0.119 0.000 1.217 389 P CA -0.105 62.876 63.100 -0.200 0.000 0.783 389 P CB 0.457 32.006 31.700 -0.251 0.000 0.898 390 R N 2.400 122.791 120.500 -0.182 0.000 2.409 390 R HA 0.332 4.673 4.340 0.002 0.000 0.313 390 R C -0.817 175.468 176.300 -0.025 0.000 0.953 390 R CA -0.566 55.519 56.100 -0.026 0.000 0.849 390 R CB 0.311 30.628 30.300 0.029 0.000 1.171 390 R HN 0.411 nan 8.270 nan 0.000 0.458 391 Y N 1.854 122.187 120.300 0.057 0.000 2.300 391 Y HA 0.616 5.167 4.550 0.001 0.000 0.328 391 Y C 1.246 177.094 175.900 -0.086 0.000 1.270 391 Y CA 0.883 59.009 58.100 0.044 0.000 1.352 391 Y CB 1.906 40.365 38.460 -0.002 0.000 1.286 391 Y HN 0.834 nan 8.280 nan 0.000 0.536 392 G N 0.556 109.265 108.800 -0.152 0.000 2.336 392 G HA2 0.069 4.030 3.960 0.002 0.000 0.300 392 G HA3 0.069 4.030 3.960 0.002 0.000 0.300 392 G C -1.901 172.541 174.900 -0.763 0.000 1.375 392 G CA -1.072 43.723 45.100 -0.508 0.000 0.885 392 G HN 0.437 nan 8.290 nan 0.000 0.599 393 D N 0.227 120.284 120.400 -0.572 0.000 2.845 393 D HA 0.339 4.980 4.640 0.002 0.000 0.235 393 D C -0.319 175.806 176.300 -0.292 0.000 1.158 393 D CA -0.267 53.532 54.000 -0.334 0.000 0.990 393 D CB -0.555 40.140 40.800 -0.175 0.000 1.094 393 D HN 0.273 nan 8.370 nan 0.000 0.486 394 Y N 1.085 121.375 120.300 -0.016 0.000 2.640 394 Y HA 0.196 4.746 4.550 0.002 0.000 0.355 394 Y C 1.760 177.623 175.900 -0.061 0.000 1.088 394 Y CA -0.294 57.797 58.100 -0.014 0.000 1.443 394 Y CB 0.316 38.765 38.460 -0.019 0.000 1.224 394 Y HN 0.080 nan 8.280 nan 0.000 0.516 395 R N 1.473 121.976 120.500 0.006 0.000 2.080 395 R HA 0.052 4.393 4.340 0.002 0.000 0.222 395 R C -0.661 175.350 176.300 -0.481 0.000 1.107 395 R CA 0.887 56.811 56.100 -0.293 0.000 0.980 395 R CB 0.244 30.322 30.300 -0.372 0.000 0.879 395 R HN 0.417 nan 8.270 nan 0.000 0.439 396 Y N -0.848 119.544 120.300 0.154 0.000 2.421 396 Y HA 0.593 5.144 4.550 0.001 0.000 0.339 396 Y C -0.669 175.326 175.900 0.158 0.000 0.996 396 Y CA -1.327 56.858 58.100 0.143 0.000 1.046 396 Y CB 2.232 40.752 38.460 0.100 0.000 1.226 396 Y HN -0.045 nan 8.280 nan 0.000 0.445 397 A N 2.388 125.403 122.820 0.325 0.000 2.398 397 A HA 0.819 5.140 4.320 0.002 0.000 0.301 397 A C -1.611 176.073 177.584 0.167 0.000 1.041 397 A CA -0.715 51.452 52.037 0.216 0.000 0.711 397 A CB 0.996 20.158 19.000 0.270 0.000 1.240 397 A HN 0.477 nan 8.150 nan 0.000 0.420 398 V N 2.033 121.965 119.914 0.030 0.000 2.617 398 V HA 0.501 4.622 4.120 0.002 0.000 0.298 398 V C -0.065 176.000 176.094 -0.050 0.000 1.048 398 V CA -0.636 61.673 62.300 0.016 0.000 0.964 398 V CB 1.740 33.552 31.823 -0.019 0.000 1.004 398 V HN 0.936 nan 8.190 nan 0.000 0.466 399 N N 3.155 121.859 118.700 0.007 0.000 2.448 399 N HA 0.335 5.076 4.740 0.002 0.000 0.279 399 N C -1.128 174.327 175.510 -0.092 0.000 1.025 399 N CA -0.446 52.584 53.050 -0.034 0.000 0.898 399 N CB 1.033 39.549 38.487 0.048 0.000 1.303 399 N HN 0.598 nan 8.380 nan 0.000 0.495 400 N N 1.454 120.059 118.700 -0.158 0.000 2.430 400 N HA 0.421 5.162 4.740 0.002 0.000 0.292 400 N C -1.166 174.050 175.510 -0.490 0.000 1.051 400 N CA -0.294 52.537 53.050 -0.365 0.000 0.917 400 N CB 1.642 39.906 38.487 -0.373 0.000 1.164 400 N HN 0.419 nan 8.380 nan 0.000 0.484 401 S N 1.199 116.482 115.700 -0.696 0.000 2.538 401 S HA 0.668 5.139 4.470 0.002 0.000 0.288 401 S C -1.161 172.831 174.600 -1.014 0.000 1.108 401 S CA -0.575 57.225 58.200 -0.668 0.000 0.971 401 S CB 0.773 63.814 63.200 -0.264 0.000 1.041 401 S HN 0.300 nan 8.310 nan 0.000 0.483 402 F N 0.788 120.293 119.950 -0.743 0.000 2.551 402 F HA 0.783 5.311 4.527 0.002 0.000 0.316 402 F C 0.705 176.314 175.800 -0.319 0.000 1.089 402 F CA -0.744 56.995 58.000 -0.436 0.000 0.915 402 F CB 2.031 40.820 39.000 -0.351 0.000 1.186 402 F HN 0.675 nan 8.300 nan 0.000 0.456 403 G N 1.204 110.104 108.800 0.168 0.000 2.571 403 G HA2 0.579 4.541 3.960 0.002 0.000 0.304 403 G HA3 0.579 4.541 3.960 0.002 0.000 0.304 403 G C -1.506 173.608 174.900 0.357 0.000 1.314 403 G CA -0.667 44.553 45.100 0.199 0.000 0.975 403 G HN 0.236 nan 8.290 nan 0.000 0.485 404 F N 0.782 120.854 119.950 0.203 0.000 2.607 404 F HA 0.383 4.911 4.527 0.002 0.000 0.374 404 F C 1.617 177.479 175.800 0.102 0.000 1.104 404 F CA 1.002 59.089 58.000 0.146 0.000 1.296 404 F CB 0.996 40.084 39.000 0.147 0.000 1.085 404 F HN 1.001 nan 8.300 nan 0.000 0.584 405 G N 0.981 109.853 108.800 0.121 0.000 2.201 405 G HA2 0.091 4.052 3.960 0.002 0.000 0.212 405 G HA3 0.091 4.052 3.960 0.002 0.000 0.212 405 G C 0.828 175.451 174.900 -0.461 0.000 0.994 405 G CA 0.098 45.085 45.100 -0.189 0.000 0.644 405 G HN 1.837 nan 8.290 nan 0.000 0.508 406 G N -0.341 108.303 108.800 -0.260 0.000 2.130 406 G HA2 -0.166 3.795 3.960 0.002 0.000 0.216 406 G HA3 -0.166 3.795 3.960 0.002 0.000 0.216 406 G C 0.019 174.841 174.900 -0.130 0.000 0.999 406 G CA 0.512 45.535 45.100 -0.128 0.000 0.686 406 G HN 1.324 nan 8.290 nan 0.000 0.515 407 H N 0.686 119.845 119.070 0.149 0.000 2.610 407 H HA 0.442 4.999 4.556 0.002 0.000 0.336 407 H C -0.052 175.377 175.328 0.167 0.000 1.087 407 H CA -0.131 55.992 56.048 0.125 0.000 1.405 407 H CB 0.808 30.626 29.762 0.093 0.000 1.460 407 H HN 0.228 nan 8.280 nan 0.000 0.538 408 N N 2.371 121.227 118.700 0.261 0.000 2.461 408 N HA 0.225 4.966 4.740 0.002 0.000 0.284 408 N C -1.032 174.526 175.510 0.081 0.000 1.049 408 N CA -0.459 52.748 53.050 0.261 0.000 0.889 408 N CB 2.764 41.425 38.487 0.290 0.000 1.365 408 N HN 0.220 nan 8.380 nan 0.000 0.499 409 V N 0.959 120.828 119.914 -0.075 0.000 2.419 409 V HA 0.688 4.809 4.120 0.002 0.000 0.287 409 V C -0.345 175.638 176.094 -0.186 0.000 1.017 409 V CA -0.928 61.301 62.300 -0.118 0.000 0.844 409 V CB 1.349 33.103 31.823 -0.114 0.000 1.011 409 V HN 0.747 nan 8.190 nan 0.000 0.429 410 A N 6.379 129.117 122.820 -0.137 0.000 2.287 410 A HA 0.872 5.194 4.320 0.002 0.000 0.317 410 A C -0.750 176.734 177.584 -0.168 0.000 1.220 410 A CA -0.453 51.501 52.037 -0.138 0.000 0.835 410 A CB 0.688 19.639 19.000 -0.083 0.000 1.180 410 A HN 0.808 nan 8.150 nan 0.000 0.500 411 L N 2.538 123.671 121.223 -0.150 0.000 2.272 411 L HA 0.589 4.930 4.340 0.002 0.000 0.289 411 L C 0.565 177.323 176.870 -0.186 0.000 1.032 411 L CA -0.461 54.239 54.840 -0.233 0.000 0.810 411 L CB 1.757 43.723 42.059 -0.155 0.000 1.205 411 L HN 0.772 nan 8.230 nan 0.000 0.422 412 A N 4.478 127.099 122.820 -0.330 0.000 2.252 412 A HA 0.674 4.995 4.320 0.002 0.000 0.309 412 A C -0.857 176.564 177.584 -0.272 0.000 1.285 412 A CA -0.209 51.707 52.037 -0.202 0.000 0.900 412 A CB -0.017 18.861 19.000 -0.203 0.000 1.157 412 A HN 0.519 nan 8.150 nan 0.000 0.536 413 F N 1.343 121.293 119.950 0.001 0.000 2.483 413 F HA 0.696 5.223 4.527 0.001 0.000 0.329 413 F C 1.005 176.935 175.800 0.216 0.000 1.064 413 F CA 0.102 58.142 58.000 0.067 0.000 0.986 413 F CB 2.430 41.460 39.000 0.050 0.000 1.218 413 F HN 0.683 nan 8.300 nan 0.000 0.484 414 G N 0.676 109.737 108.800 0.436 0.000 2.658 414 G HA2 0.503 4.464 3.960 0.002 0.000 0.292 414 G HA3 0.503 4.464 3.960 0.002 0.000 0.292 414 G C -1.767 173.236 174.900 0.172 0.000 1.320 414 G CA -1.014 44.309 45.100 0.371 0.000 0.933 414 G HN 0.547 nan 8.290 nan 0.000 0.476 415 R N 0.180 120.659 120.500 -0.034 0.000 2.265 415 R HA 0.286 4.627 4.340 0.002 0.000 0.314 415 R C -0.326 176.018 176.300 0.073 0.000 1.053 415 R CA -0.562 55.549 56.100 0.017 0.000 0.931 415 R CB 0.572 30.835 30.300 -0.060 0.000 1.024 415 R HN 0.621 nan 8.270 nan 0.000 0.457 416 Y N 0.000 120.315 120.300 0.026 0.000 2.660 416 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 416 Y CA 0.000 58.123 58.100 0.037 0.000 1.940 416 Y CB 0.000 38.482 38.460 0.037 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758