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 2c6f_1_B DATA FIRST_RESID 2 DATA SEQUENCE DPGLQPGNFS ADEAGAQLFA QSYNSSAEQV LFQSVAASWA HDTNITAENA DATA SEQUENCE RRQEEAALLS QEFAEAWGQK AKELYEPIWQ NFTDPQLRRI IGAVRTLGSA DATA SEQUENCE NLPLAKRQQY NALLSNMSRI YSTAKVcLPN KTATcWSLDP DLTNILASSR DATA SEQUENCE SYAMLLFAWE GWHNAAGIPL KPLYEDFTAL SNEAYKQDGF TDTGAYWRSW DATA SEQUENCE YNSPTFEDDL EHLYQQLEPL YLNLHAFVRR ALHRRYGDRY INLRGPIPAH DATA SEQUENCE LLGDMWAQSW ENIYDMVVPF PDKPNLDVTS TMLQQGWNAT HMFRVAEEFF DATA SEQUENCE TSLELSPMPP EFWEGSMLEK PADGREVVcH ASAWDFYNRK DFRIKQcTRV DATA SEQUENCE TMDQLSTVHH EMGHIQYYLQ YKDLPVSLRR GANPGFHEAI GDVLALSVST DATA SEQUENCE PEHLHKIGLL DRVTNDTESD INYLLKMALE KIAFLPFGYL VDQWRWGVFS DATA SEQUENCE GRTPPSRYNF DWWYLRTKYQ GICPPVTRNE THFDAGAKFH VPNVTPYIRY DATA SEQUENCE FVSFVLQFQF HEALcKEAGY EGPLHQcDIY RSTKAGAKLR KVLQAGSSRP DATA SEQUENCE WQEVLKDMVG LDALDAQPLL KYFQPVTQWL QEQNQQNGEV LGWPEYQWHP DATA SEQUENCE PLPDNYPEGI D 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 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.349 176.300 0.081 0.000 2.045 2 D CA 0.000 54.059 54.000 0.098 0.000 0.868 2 D CB 0.000 40.849 40.800 0.082 0.000 0.688 3 P HA -0.159 nan 4.420 nan 0.000 0.291 3 P C 1.661 179.002 177.300 0.068 0.000 0.854 3 P CA 3.452 66.583 63.100 0.051 0.000 0.885 3 P CB -1.504 30.218 31.700 0.036 0.000 0.949 4 G N -0.201 108.645 108.800 0.077 0.000 2.462 4 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.220 4 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.220 4 G C 1.315 176.316 174.900 0.169 0.000 1.121 4 G CA 1.143 46.300 45.100 0.095 0.000 0.758 4 G HN 0.419 nan 8.290 nan 0.000 0.559 5 L N -0.170 121.179 121.223 0.209 0.000 2.700 5 L HA 0.115 4.455 4.340 -0.000 0.000 0.240 5 L C 1.132 178.288 176.870 0.477 0.000 1.162 5 L CA 0.114 55.189 54.840 0.392 0.000 0.874 5 L CB -0.286 41.989 42.059 0.360 0.000 1.001 5 L HN 0.301 nan 8.230 nan 0.000 0.447 6 Q N 0.258 120.154 119.800 0.159 0.000 2.241 6 Q HA 0.354 4.693 4.340 -0.000 0.000 0.262 6 Q C -2.239 173.429 176.000 -0.553 0.000 1.014 6 Q CA -1.857 53.811 55.803 -0.226 0.000 0.885 6 Q CB 1.366 29.995 28.738 -0.181 0.000 1.311 6 Q HN -0.121 nan 8.270 nan 0.000 0.461 7 P HA 0.095 nan 4.420 nan 0.000 0.286 7 P C -0.346 176.764 177.300 -0.316 0.000 1.321 7 P CA -0.037 62.519 63.100 -0.906 0.000 0.790 7 P CB 0.576 31.701 31.700 -0.957 0.000 0.897 8 G N 2.437 111.096 108.800 -0.234 0.000 2.716 8 G HA2 0.196 4.156 3.960 -0.000 0.000 0.251 8 G HA3 0.196 4.156 3.960 -0.000 0.000 0.251 8 G C 0.647 175.356 174.900 -0.320 0.000 1.224 8 G CA -0.367 44.516 45.100 -0.362 0.000 0.891 8 G HN 0.636 nan 8.290 nan 0.000 0.561 9 N N -0.310 118.222 118.700 -0.280 0.000 3.050 9 N HA 0.404 5.144 4.740 -0.000 0.000 0.289 9 N C -0.034 175.416 175.510 -0.101 0.000 1.209 9 N CA -0.387 52.585 53.050 -0.131 0.000 1.154 9 N CB -0.589 37.837 38.487 -0.102 0.000 1.444 9 N HN 0.409 nan 8.380 nan 0.000 0.529 10 F N 1.017 121.043 119.950 0.128 0.000 2.578 10 F HA 0.382 4.909 4.527 -0.000 0.000 0.376 10 F C 1.763 177.662 175.800 0.166 0.000 1.085 10 F CA 0.133 58.249 58.000 0.194 0.000 1.260 10 F CB 0.345 39.567 39.000 0.371 0.000 1.095 10 F HN 0.571 nan 8.300 nan 0.000 0.573 11 S N 2.214 118.101 115.700 0.312 0.000 2.563 11 S HA 0.403 4.872 4.470 -0.000 0.000 0.269 11 S C 0.514 175.288 174.600 0.291 0.000 1.364 11 S CA -0.170 58.162 58.200 0.220 0.000 1.010 11 S CB 0.048 63.353 63.200 0.176 0.000 0.877 11 S HN 0.908 nan 8.310 nan 0.000 0.549 12 A N 1.285 124.228 122.820 0.206 0.000 3.095 12 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 12 A C 0.408 178.143 177.584 0.253 0.000 1.432 12 A CA 0.531 52.722 52.037 0.256 0.000 1.140 12 A CB -1.230 17.835 19.000 0.108 0.000 1.174 12 A HN 1.166 nan 8.150 nan 0.000 0.546 13 D N -0.233 120.329 120.400 0.270 0.000 2.784 13 D HA 0.560 5.200 4.640 -0.000 0.000 0.256 13 D C 0.699 177.056 176.300 0.096 0.000 1.129 13 D CA 0.336 54.431 54.000 0.159 0.000 1.102 13 D CB 0.438 41.299 40.800 0.100 0.000 1.330 13 D HN 0.408 nan 8.370 nan 0.000 0.626 14 E N -1.484 118.703 120.200 -0.021 0.000 2.099 14 E HA 0.238 4.587 4.350 -0.000 0.000 0.191 14 E C 1.913 178.295 176.600 -0.363 0.000 0.962 14 E CA 0.944 57.174 56.400 -0.284 0.000 0.826 14 E CB 0.085 29.684 29.700 -0.167 0.000 0.788 14 E HN 0.469 nan 8.360 nan 0.000 0.461 15 A N 0.461 123.186 122.820 -0.158 0.000 2.252 15 A HA 0.164 4.483 4.320 -0.000 0.000 0.207 15 A C 1.872 179.435 177.584 -0.034 0.000 1.194 15 A CA 0.806 52.778 52.037 -0.108 0.000 0.809 15 A CB -0.492 18.483 19.000 -0.042 0.000 0.814 15 A HN 0.412 nan 8.150 nan 0.000 0.482 16 G N -0.603 108.194 108.800 -0.005 0.000 2.411 16 G HA2 0.162 4.122 3.960 -0.000 0.000 0.213 16 G HA3 0.162 4.122 3.960 -0.000 0.000 0.213 16 G C 1.614 176.588 174.900 0.123 0.000 1.166 16 G CA 0.846 46.042 45.100 0.161 0.000 0.802 16 G HN 0.623 nan 8.290 nan 0.000 0.533 17 A N 0.017 122.679 122.820 -0.263 0.000 1.969 17 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 17 A C 2.347 179.808 177.584 -0.204 0.000 1.169 17 A CA 1.606 53.296 52.037 -0.578 0.000 0.635 17 A CB -0.270 17.913 19.000 -1.362 0.000 0.810 17 A HN 0.290 nan 8.150 nan 0.000 0.445 18 Q N -0.732 118.941 119.800 -0.211 0.000 1.993 18 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 18 Q C 2.631 178.590 176.000 -0.069 0.000 0.984 18 Q CA 1.982 57.711 55.803 -0.123 0.000 0.837 18 Q CB -1.156 27.518 28.738 -0.107 0.000 0.902 18 Q HN 0.690 nan 8.270 nan 0.000 0.423 19 L N -0.009 121.192 121.223 -0.037 0.000 2.129 19 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 19 L C 2.424 179.018 176.870 -0.460 0.000 1.087 19 L CA 2.361 57.161 54.840 -0.067 0.000 0.757 19 L CB -1.837 40.321 42.059 0.164 0.000 0.896 19 L HN 0.263 nan 8.230 nan 0.000 0.434 20 F N 0.873 120.475 119.950 -0.580 0.000 2.031 20 F HA -0.035 4.491 4.527 -0.000 0.000 0.295 20 F C 2.658 178.272 175.800 -0.310 0.000 1.133 20 F CA 1.945 59.513 58.000 -0.721 0.000 1.188 20 F CB -0.614 38.324 39.000 -0.104 0.000 0.974 20 F HN 0.229 nan 8.300 nan 0.000 0.473 21 A N 0.002 122.849 122.820 0.045 0.000 2.019 21 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 21 A C 2.177 179.726 177.584 -0.058 0.000 1.164 21 A CA 2.224 54.272 52.037 0.018 0.000 0.644 21 A CB -1.611 17.426 19.000 0.061 0.000 0.805 21 A HN 0.616 nan 8.150 nan 0.000 0.449 22 Q N -1.010 118.728 119.800 -0.104 0.000 2.050 22 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 22 Q C 2.549 178.505 176.000 -0.074 0.000 0.980 22 Q CA 2.865 58.629 55.803 -0.065 0.000 0.840 22 Q CB -1.538 27.174 28.738 -0.045 0.000 0.898 22 Q HN 0.980 nan 8.270 nan 0.000 0.424 23 S N -0.702 114.908 115.700 -0.151 0.000 2.345 23 S HA -0.071 4.398 4.470 -0.000 0.000 0.219 23 S C 1.941 176.446 174.600 -0.159 0.000 1.031 23 S CA 1.576 59.753 58.200 -0.038 0.000 0.984 23 S CB -0.713 62.568 63.200 0.134 0.000 0.874 23 S HN 0.757 nan 8.310 nan 0.000 0.451 24 Y N 2.830 122.816 120.300 -0.525 0.000 2.096 24 Y HA -0.393 4.156 4.550 -0.000 0.000 0.276 24 Y C 2.267 177.835 175.900 -0.553 0.000 1.209 24 Y CA 2.670 60.156 58.100 -1.023 0.000 1.137 24 Y CB -0.660 37.325 38.460 -0.792 0.000 0.956 24 Y HN 0.520 nan 8.280 nan 0.000 0.506 25 N N -0.538 118.070 118.700 -0.154 0.000 2.104 25 N HA -0.237 4.502 4.740 -0.000 0.000 0.190 25 N C 2.046 177.443 175.510 -0.187 0.000 1.024 25 N CA 1.841 54.832 53.050 -0.098 0.000 0.853 25 N CB -0.681 37.828 38.487 0.037 0.000 1.008 25 N HN 0.391 nan 8.380 nan 0.000 0.424 26 S N -1.246 114.365 115.700 -0.149 0.000 2.383 26 S HA -0.015 4.455 4.470 -0.000 0.000 0.227 26 S C 1.800 176.318 174.600 -0.136 0.000 1.026 26 S CA 1.390 59.531 58.200 -0.099 0.000 0.981 26 S CB -0.442 62.741 63.200 -0.027 0.000 0.818 26 S HN 0.500 nan 8.310 nan 0.000 0.472 27 S N 1.623 117.208 115.700 -0.192 0.000 2.357 27 S HA 0.129 4.599 4.470 -0.000 0.000 0.221 27 S C 2.280 176.628 174.600 -0.419 0.000 1.031 27 S CA 0.858 58.980 58.200 -0.130 0.000 0.982 27 S CB -0.763 62.531 63.200 0.157 0.000 0.853 27 S HN 0.669 nan 8.310 nan 0.000 0.458 28 A N 1.836 124.285 122.820 -0.618 0.000 1.892 28 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 28 A C 2.017 179.309 177.584 -0.486 0.000 1.188 28 A CA 1.838 53.398 52.037 -0.794 0.000 0.631 28 A CB -0.794 17.730 19.000 -0.795 0.000 0.822 28 A HN 0.543 nan 8.150 nan 0.000 0.447 29 E N -0.633 119.405 120.200 -0.270 0.000 2.171 29 E HA -0.266 4.084 4.350 -0.000 0.000 0.197 29 E C 2.257 178.807 176.600 -0.085 0.000 0.997 29 E CA 1.527 57.865 56.400 -0.103 0.000 0.810 29 E CB -0.088 29.581 29.700 -0.052 0.000 0.738 29 E HN 0.811 nan 8.360 nan 0.000 0.467 30 Q N -0.333 119.368 119.800 -0.166 0.000 2.008 30 Q HA -0.090 4.249 4.340 -0.000 0.000 0.196 30 Q C 2.370 178.300 176.000 -0.115 0.000 0.973 30 Q CA 1.230 56.970 55.803 -0.105 0.000 0.826 30 Q CB -0.200 28.471 28.738 -0.113 0.000 0.894 30 Q HN 0.198 nan 8.270 nan 0.000 0.439 31 V N 1.117 120.825 119.914 -0.343 0.000 2.490 31 V HA -0.211 3.908 4.120 -0.000 0.000 0.250 31 V C 1.911 177.844 176.094 -0.268 0.000 1.061 31 V CA 1.405 63.474 62.300 -0.384 0.000 1.064 31 V CB -0.242 31.072 31.823 -0.848 0.000 0.670 31 V HN 0.287 nan 8.190 nan 0.000 0.461 32 L N -1.347 119.712 121.223 -0.274 0.000 2.068 32 L HA -0.048 4.292 4.340 -0.000 0.000 0.204 32 L C 2.316 179.172 176.870 -0.025 0.000 1.076 32 L CA 1.986 56.709 54.840 -0.195 0.000 0.753 32 L CB -0.724 41.155 42.059 -0.301 0.000 0.910 32 L HN 0.427 nan 8.230 nan 0.000 0.439 33 F N 1.205 121.129 119.950 -0.043 0.000 2.120 33 F HA -0.349 4.178 4.527 -0.000 0.000 0.300 33 F C 2.757 178.596 175.800 0.066 0.000 1.095 33 F CA 2.307 60.347 58.000 0.066 0.000 1.249 33 F CB -0.689 38.336 39.000 0.041 0.000 0.995 33 F HN 0.142 nan 8.300 nan 0.000 0.480 34 Q N -0.169 119.696 119.800 0.109 0.000 2.030 34 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 34 Q C 2.458 178.431 176.000 -0.046 0.000 0.986 34 Q CA 2.412 58.236 55.803 0.034 0.000 0.843 34 Q CB -1.679 27.080 28.738 0.036 0.000 0.904 34 Q HN 0.501 nan 8.270 nan 0.000 0.420 35 S N -0.758 114.910 115.700 -0.053 0.000 2.368 35 S HA -0.117 4.352 4.470 -0.000 0.000 0.225 35 S C 2.090 176.671 174.600 -0.032 0.000 1.030 35 S CA 1.351 59.529 58.200 -0.036 0.000 0.999 35 S CB -0.391 62.783 63.200 -0.045 0.000 0.844 35 S HN 0.550 nan 8.310 nan 0.000 0.459 36 V N 1.824 121.684 119.914 -0.090 0.000 2.427 36 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 36 V C 2.679 178.702 176.094 -0.119 0.000 1.051 36 V CA 1.683 63.913 62.300 -0.117 0.000 1.048 36 V CB -1.141 30.501 31.823 -0.302 0.000 0.666 36 V HN 0.572 nan 8.190 nan 0.000 0.456 37 A N -0.077 122.646 122.820 -0.162 0.000 1.929 37 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 37 A C 2.411 180.043 177.584 0.080 0.000 1.176 37 A CA 1.626 53.658 52.037 -0.009 0.000 0.628 37 A CB -0.626 18.214 19.000 -0.266 0.000 0.816 37 A HN 0.533 nan 8.150 nan 0.000 0.444 38 A N -0.349 122.494 122.820 0.039 0.000 1.933 38 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 38 A C 2.404 180.059 177.584 0.119 0.000 1.175 38 A CA 2.106 54.184 52.037 0.069 0.000 0.628 38 A CB -0.660 18.363 19.000 0.039 0.000 0.814 38 A HN 0.452 nan 8.150 nan 0.000 0.444 39 S N -1.655 114.142 115.700 0.162 0.000 2.377 39 S HA -0.117 4.353 4.470 -0.000 0.000 0.223 39 S C 1.613 176.361 174.600 0.247 0.000 1.030 39 S CA 0.619 58.980 58.200 0.267 0.000 0.970 39 S CB -0.477 62.938 63.200 0.359 0.000 0.830 39 S HN 0.802 nan 8.310 nan 0.000 0.473 40 W N 2.978 124.233 121.300 -0.075 0.000 2.342 40 W HA -0.194 4.466 4.660 -0.001 0.000 0.297 40 W C 2.260 178.664 176.519 -0.192 0.000 1.213 40 W CA 1.477 58.547 57.345 -0.459 0.000 1.251 40 W CB -0.549 28.652 29.460 -0.431 0.000 1.136 40 W HN 0.337 nan 8.180 nan 0.000 0.526 41 A N -0.295 122.601 122.820 0.127 0.000 1.902 41 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 41 A C 2.108 179.704 177.584 0.021 0.000 1.181 41 A CA 1.858 53.950 52.037 0.093 0.000 0.623 41 A CB -1.569 17.509 19.000 0.130 0.000 0.818 41 A HN 0.586 nan 8.150 nan 0.000 0.443 42 H N -0.168 118.881 119.070 -0.036 0.000 2.261 42 H HA -0.144 4.412 4.556 -0.000 0.000 0.301 42 H C 1.465 176.755 175.328 -0.064 0.000 1.067 42 H CA 1.701 57.736 56.048 -0.023 0.000 1.297 42 H CB -0.100 29.677 29.762 0.025 0.000 1.377 42 H HN 0.380 nan 8.280 nan 0.000 0.492 43 D N -0.127 120.147 120.400 -0.209 0.000 2.149 43 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 43 D C 1.915 178.010 176.300 -0.342 0.000 0.990 43 D CA 1.553 55.393 54.000 -0.266 0.000 0.839 43 D CB -0.590 40.209 40.800 -0.001 0.000 0.948 43 D HN 0.395 nan 8.370 nan 0.000 0.460 44 T N -0.398 113.852 114.554 -0.506 0.000 3.085 44 T HA -0.035 4.314 4.350 -0.000 0.000 0.263 44 T C 0.564 175.116 174.700 -0.247 0.000 1.127 44 T CA 0.359 62.164 62.100 -0.492 0.000 1.103 44 T CB -0.024 68.387 68.868 -0.763 0.000 0.921 44 T HN 0.037 nan 8.240 nan 0.000 0.510 45 N N 0.835 119.417 118.700 -0.196 0.000 3.151 45 N HA 0.126 4.866 4.740 -0.000 0.000 0.219 45 N C -1.382 174.079 175.510 -0.083 0.000 1.434 45 N CA -0.304 52.684 53.050 -0.104 0.000 0.767 45 N CB 0.054 38.510 38.487 -0.052 0.000 1.564 45 N HN 0.091 nan 8.380 nan 0.000 0.612 46 I N 2.585 123.084 120.570 -0.118 0.000 2.494 46 I HA 0.138 4.308 4.170 -0.000 0.000 0.289 46 I C 1.094 177.230 176.117 0.031 0.000 1.106 46 I CA 0.182 61.427 61.300 -0.091 0.000 1.369 46 I CB -0.078 37.847 38.000 -0.126 0.000 1.410 46 I HN 0.562 nan 8.210 nan 0.000 0.523 47 T N 2.238 116.855 114.554 0.105 0.000 2.619 47 T HA 0.692 5.042 4.350 -0.000 0.000 0.244 47 T C 0.649 175.414 174.700 0.108 0.000 0.893 47 T CA -0.032 62.119 62.100 0.085 0.000 1.093 47 T CB 1.507 70.414 68.868 0.066 0.000 1.567 47 T HN 0.422 nan 8.240 nan 0.000 0.549 48 A N -0.722 122.142 122.820 0.073 0.000 2.287 48 A HA 0.407 4.727 4.320 -0.000 0.000 0.214 48 A C 1.928 179.536 177.584 0.040 0.000 1.228 48 A CA 0.816 52.886 52.037 0.056 0.000 0.939 48 A CB -0.455 18.569 19.000 0.040 0.000 0.992 48 A HN 0.848 nan 8.150 nan 0.000 0.502 49 E N 0.891 121.119 120.200 0.046 0.000 2.060 49 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 49 E C 1.487 178.110 176.600 0.038 0.000 0.974 49 E CA 1.272 57.693 56.400 0.036 0.000 0.808 49 E CB -0.159 29.562 29.700 0.036 0.000 0.768 49 E HN 0.441 nan 8.360 nan 0.000 0.453 50 N N 0.587 119.327 118.700 0.066 0.000 2.272 50 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 50 N C 1.552 177.074 175.510 0.021 0.000 1.014 50 N CA 1.242 54.340 53.050 0.081 0.000 0.870 50 N CB -0.263 38.309 38.487 0.142 0.000 0.975 50 N HN 0.308 nan 8.380 nan 0.000 0.433 51 A N 1.261 124.071 122.820 -0.017 0.000 1.929 51 A HA -0.058 4.261 4.320 -0.000 0.000 0.216 51 A C 2.525 180.036 177.584 -0.122 0.000 1.176 51 A CA 1.893 53.805 52.037 -0.208 0.000 0.628 51 A CB -0.636 18.284 19.000 -0.134 0.000 0.816 51 A HN 0.407 nan 8.150 nan 0.000 0.444 52 R N -1.023 119.451 120.500 -0.044 0.000 2.115 52 R HA 0.031 4.371 4.340 -0.000 0.000 0.226 52 R C 2.487 178.779 176.300 -0.014 0.000 1.100 52 R CA 2.056 58.143 56.100 -0.022 0.000 0.980 52 R CB -1.602 28.697 30.300 -0.002 0.000 0.875 52 R HN 0.724 nan 8.270 nan 0.000 0.445 53 R N 0.863 121.359 120.500 -0.007 0.000 2.073 53 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 53 R C 2.187 178.488 176.300 0.003 0.000 1.120 53 R CA 1.760 57.865 56.100 0.009 0.000 0.967 53 R CB -1.073 29.243 30.300 0.026 0.000 0.862 53 R HN 0.754 nan 8.270 nan 0.000 0.436 54 Q N 0.474 120.262 119.800 -0.021 0.000 2.046 54 Q HA -0.174 4.165 4.340 -0.000 0.000 0.200 54 Q C 1.874 177.863 176.000 -0.019 0.000 0.975 54 Q CA 2.062 57.853 55.803 -0.019 0.000 0.836 54 Q CB -0.163 28.542 28.738 -0.055 0.000 0.896 54 Q HN 0.774 nan 8.270 nan 0.000 0.428 55 E N -0.135 120.039 120.200 -0.043 0.000 2.273 55 E HA -0.242 4.107 4.350 -0.000 0.000 0.198 55 E C 1.978 178.584 176.600 0.010 0.000 1.002 55 E CA 1.445 57.835 56.400 -0.017 0.000 0.828 55 E CB 0.021 29.706 29.700 -0.026 0.000 0.747 55 E HN 0.645 nan 8.360 nan 0.000 0.491 56 E N 0.917 121.123 120.200 0.010 0.000 2.042 56 E HA 0.073 4.422 4.350 -0.000 0.000 0.189 56 E C 2.041 178.658 176.600 0.029 0.000 0.974 56 E CA 0.857 57.270 56.400 0.022 0.000 0.806 56 E CB -0.746 28.967 29.700 0.021 0.000 0.769 56 E HN 0.290 nan 8.360 nan 0.000 0.451 57 A N 1.117 123.952 122.820 0.024 0.000 1.986 57 A HA 0.132 4.452 4.320 -0.000 0.000 0.220 57 A C 2.778 180.380 177.584 0.030 0.000 1.171 57 A CA 2.703 54.754 52.037 0.024 0.000 0.640 57 A CB -0.782 18.229 19.000 0.018 0.000 0.811 57 A HN 1.007 nan 8.150 nan 0.000 0.451 58 A N -0.498 122.344 122.820 0.037 0.000 1.902 58 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 58 A C 2.168 179.794 177.584 0.070 0.000 1.181 58 A CA 1.435 53.506 52.037 0.058 0.000 0.623 58 A CB -0.544 18.495 19.000 0.064 0.000 0.818 58 A HN 0.473 nan 8.150 nan 0.000 0.443 59 L N -0.889 120.371 121.223 0.061 0.000 2.141 59 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 59 L C 2.585 179.497 176.870 0.070 0.000 1.094 59 L CA 0.886 55.764 54.840 0.063 0.000 0.763 59 L CB -0.320 41.769 42.059 0.051 0.000 0.908 59 L HN 0.472 nan 8.230 nan 0.000 0.437 60 L N -0.934 120.327 121.223 0.064 0.000 1.976 60 L HA -0.255 4.085 4.340 -0.000 0.000 0.209 60 L C 2.717 179.651 176.870 0.106 0.000 1.071 60 L CA 1.593 56.477 54.840 0.074 0.000 0.746 60 L CB -0.138 41.949 42.059 0.046 0.000 0.890 60 L HN 0.207 nan 8.230 nan 0.000 0.432 61 S N -0.604 115.142 115.700 0.077 0.000 2.370 61 S HA -0.273 4.197 4.470 -0.000 0.000 0.226 61 S C 1.762 176.466 174.600 0.174 0.000 1.033 61 S CA 1.501 59.760 58.200 0.098 0.000 1.011 61 S CB -0.372 62.853 63.200 0.041 0.000 0.852 61 S HN 0.489 nan 8.310 nan 0.000 0.457 62 Q N 0.644 120.518 119.800 0.124 0.000 2.181 62 Q HA -0.171 4.169 4.340 -0.000 0.000 0.205 62 Q C 2.165 178.238 176.000 0.120 0.000 0.980 62 Q CA 1.196 57.061 55.803 0.104 0.000 0.862 62 Q CB -0.196 28.582 28.738 0.067 0.000 0.905 62 Q HN 0.646 nan 8.270 nan 0.000 0.429 63 E N 0.145 120.429 120.200 0.141 0.000 2.028 63 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 63 E C 1.670 178.398 176.600 0.213 0.000 0.988 63 E CA 0.786 57.270 56.400 0.141 0.000 0.799 63 E CB -0.186 29.594 29.700 0.133 0.000 0.755 63 E HN 0.199 nan 8.360 nan 0.000 0.447 64 F N 1.776 121.807 119.950 0.135 0.000 2.024 64 F HA -0.342 4.185 4.527 -0.001 0.000 0.296 64 F C 2.255 178.261 175.800 0.344 0.000 1.137 64 F CA 2.032 60.178 58.000 0.243 0.000 1.200 64 F CB -0.692 38.390 39.000 0.137 0.000 0.954 64 F HN -0.008 nan 8.300 nan 0.000 0.497 65 A N -0.672 122.354 122.820 0.343 0.000 2.032 65 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 65 A C 2.260 179.931 177.584 0.144 0.000 1.165 65 A CA 1.993 54.168 52.037 0.230 0.000 0.645 65 A CB -0.935 18.199 19.000 0.223 0.000 0.807 65 A HN 0.660 nan 8.150 nan 0.000 0.453 66 E N -0.348 119.917 120.200 0.107 0.000 2.086 66 E HA 0.000 4.350 4.350 -0.000 0.000 0.190 66 E C 2.264 178.878 176.600 0.022 0.000 0.975 66 E CA 0.768 57.197 56.400 0.049 0.000 0.813 66 E CB -0.169 29.545 29.700 0.023 0.000 0.768 66 E HN 0.518 nan 8.360 nan 0.000 0.457 67 A N 1.070 123.889 122.820 -0.002 0.000 1.834 67 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 67 A C 1.907 179.409 177.584 -0.138 0.000 1.203 67 A CA 1.726 53.691 52.037 -0.121 0.000 0.621 67 A CB -1.449 17.415 19.000 -0.227 0.000 0.841 67 A HN 0.386 nan 8.150 nan 0.000 0.446 68 W N -0.401 120.817 121.300 -0.137 0.000 2.315 68 W HA -0.037 4.623 4.660 -0.000 0.000 0.323 68 W C 2.631 179.212 176.519 0.103 0.000 1.233 68 W CA 1.419 58.770 57.345 0.011 0.000 1.267 68 W CB -1.155 28.260 29.460 -0.076 0.000 1.160 68 W HN 0.410 nan 8.180 nan 0.000 0.474 69 G N -0.028 108.931 108.800 0.265 0.000 2.574 69 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.220 69 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.220 69 G C 1.569 176.494 174.900 0.042 0.000 1.173 69 G CA 2.704 47.879 45.100 0.125 0.000 0.772 69 G HN 0.407 nan 8.290 nan 0.000 0.585 70 Q N 0.168 119.978 119.800 0.016 0.000 2.119 70 Q HA 0.014 4.354 4.340 -0.000 0.000 0.201 70 Q C 2.413 178.384 176.000 -0.049 0.000 0.972 70 Q CA 2.209 57.992 55.803 -0.033 0.000 0.847 70 Q CB -0.500 28.212 28.738 -0.044 0.000 0.903 70 Q HN 0.551 nan 8.270 nan 0.000 0.433 71 K N 0.431 120.825 120.400 -0.011 0.000 1.973 71 K HA 0.068 4.388 4.320 -0.000 0.000 0.212 71 K C 2.353 178.874 176.600 -0.132 0.000 1.047 71 K CA 1.808 58.085 56.287 -0.016 0.000 0.937 71 K CB -0.971 31.605 32.500 0.128 0.000 0.721 71 K HN 0.488 nan 8.250 nan 0.000 0.440 72 A N 1.425 124.192 122.820 -0.089 0.000 1.909 72 A HA -0.336 3.983 4.320 -0.000 0.000 0.221 72 A C 2.056 179.488 177.584 -0.253 0.000 1.223 72 A CA 2.523 54.355 52.037 -0.342 0.000 0.658 72 A CB -0.718 18.200 19.000 -0.137 0.000 0.831 72 A HN 0.403 nan 8.150 nan 0.000 0.462 73 K N -1.218 119.075 120.400 -0.179 0.000 1.978 73 K HA -0.169 4.151 4.320 -0.000 0.000 0.214 73 K C 2.443 178.941 176.600 -0.170 0.000 1.049 73 K CA 1.886 58.073 56.287 -0.166 0.000 0.939 73 K CB -0.720 31.707 32.500 -0.121 0.000 0.721 73 K HN 0.658 nan 8.250 nan 0.000 0.441 74 E N 1.625 121.725 120.200 -0.166 0.000 2.086 74 E HA -0.234 4.116 4.350 -0.000 0.000 0.205 74 E C 2.062 178.508 176.600 -0.256 0.000 1.027 74 E CA 1.958 58.256 56.400 -0.170 0.000 0.830 74 E CB -0.919 28.695 29.700 -0.143 0.000 0.751 74 E HN 0.161 nan 8.360 nan 0.000 0.456 75 L N -1.422 119.527 121.223 -0.456 0.000 2.027 75 L HA 0.050 4.390 4.340 -0.000 0.000 0.206 75 L C 0.353 176.715 176.870 -0.847 0.000 1.074 75 L CA 1.308 55.643 54.840 -0.842 0.000 0.745 75 L CB -0.080 41.081 42.059 -1.497 0.000 0.898 75 L HN 0.596 nan 8.230 nan 0.000 0.433 76 Y N -2.079 118.182 120.300 -0.064 0.000 2.400 76 Y HA 0.407 4.957 4.550 -0.000 0.000 0.335 76 Y C 0.438 176.331 175.900 -0.012 0.000 1.066 76 Y CA -0.858 57.263 58.100 0.036 0.000 1.285 76 Y CB 0.169 38.763 38.460 0.225 0.000 1.103 76 Y HN 0.057 nan 8.280 nan 0.000 0.490 77 E N 1.782 122.063 120.200 0.135 0.000 2.676 77 E HA 0.266 4.615 4.350 -0.000 0.000 0.225 77 E C -1.515 175.222 176.600 0.227 0.000 0.944 77 E CA -0.456 56.056 56.400 0.187 0.000 1.156 77 E CB 0.311 30.023 29.700 0.020 0.000 1.117 77 E HN 0.470 nan 8.360 nan 0.000 0.523 78 P HA 0.126 nan 4.420 nan 0.000 0.231 78 P C 0.582 177.892 177.300 0.017 0.000 1.168 78 P CA 1.127 64.269 63.100 0.070 0.000 0.779 78 P CB 0.251 31.982 31.700 0.051 0.000 0.844 79 I N -2.686 117.906 120.570 0.037 0.000 4.702 79 I HA 0.572 4.742 4.170 -0.000 0.000 0.184 79 I C 1.393 177.128 176.117 -0.637 0.000 0.991 79 I CA -0.198 60.932 61.300 -0.282 0.000 1.697 79 I CB -0.977 36.861 38.000 -0.270 0.000 1.272 79 I HN 0.282 nan 8.210 nan 0.000 0.408 80 W N -1.083 119.042 121.300 -1.959 0.000 0.608 80 W HA -0.445 4.214 4.660 -0.000 0.000 0.216 80 W C 1.258 177.385 176.519 -0.653 0.000 0.917 80 W CA 1.769 58.030 57.345 -1.807 0.000 0.340 80 W CB -1.678 27.506 29.460 -0.459 0.000 1.910 80 W HN 0.701 nan 8.180 nan 0.000 1.324 81 Q N 1.377 119.968 119.800 -2.015 0.000 2.364 81 Q HA -0.016 4.324 4.340 -0.000 0.000 0.207 81 Q C 0.864 176.426 176.000 -0.729 0.000 0.970 81 Q CA 1.477 56.393 55.803 -1.479 0.000 0.888 81 Q CB -0.324 27.628 28.738 -1.309 0.000 0.951 81 Q HN 0.248 nan 8.270 nan 0.000 0.469 82 N N -0.176 118.123 118.700 -0.667 0.000 2.660 82 N HA 0.148 4.887 4.740 -0.000 0.000 0.316 82 N C -1.564 173.816 175.510 -0.217 0.000 1.774 82 N CA -0.017 52.816 53.050 -0.361 0.000 0.946 82 N CB 0.477 38.801 38.487 -0.271 0.000 1.322 82 N HN -0.024 nan 8.380 nan 0.000 0.492 83 F N 0.735 120.628 119.950 -0.095 0.000 2.415 83 F HA 0.351 4.878 4.527 -0.000 0.000 0.348 83 F C 2.095 177.868 175.800 -0.045 0.000 1.119 83 F CA -0.988 56.982 58.000 -0.049 0.000 1.069 83 F CB 0.701 39.684 39.000 -0.027 0.000 1.124 83 F HN 0.179 nan 8.300 nan 0.000 0.472 84 T N 0.204 114.861 114.554 0.173 0.000 2.714 84 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 84 T C 0.827 175.566 174.700 0.065 0.000 1.036 84 T CA 1.836 63.983 62.100 0.079 0.000 1.148 84 T CB -0.499 68.400 68.868 0.052 0.000 0.856 84 T HN 0.399 nan 8.240 nan 0.000 0.462 85 D N 0.918 121.362 120.400 0.074 0.000 2.317 85 D HA 0.193 4.833 4.640 -0.000 0.000 0.252 85 D C -1.364 174.983 176.300 0.080 0.000 1.174 85 D CA -2.547 51.482 54.000 0.048 0.000 0.866 85 D CB 1.762 42.563 40.800 0.002 0.000 1.127 85 D HN 0.104 nan 8.370 nan 0.000 0.467 86 P HA -0.098 nan 4.420 nan 0.000 0.217 86 P C 1.117 178.460 177.300 0.071 0.000 1.154 86 P CA 0.943 64.076 63.100 0.055 0.000 0.841 86 P CB 0.509 32.228 31.700 0.031 0.000 0.788 87 Q N -0.682 119.152 119.800 0.056 0.000 2.167 87 Q HA -0.068 4.271 4.340 -0.000 0.000 0.202 87 Q C 2.223 178.265 176.000 0.071 0.000 0.970 87 Q CA 0.684 56.520 55.803 0.056 0.000 0.855 87 Q CB -0.504 28.256 28.738 0.036 0.000 0.911 87 Q HN 0.185 nan 8.270 nan 0.000 0.438 88 L N 1.110 122.373 121.223 0.067 0.000 2.027 88 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 88 L C 2.153 179.135 176.870 0.187 0.000 1.074 88 L CA 1.708 56.585 54.840 0.063 0.000 0.745 88 L CB -0.490 41.547 42.059 -0.036 0.000 0.898 88 L HN 0.208 nan 8.230 nan 0.000 0.433 89 R N -0.241 120.428 120.500 0.281 0.000 2.096 89 R HA -0.249 4.091 4.340 -0.000 0.000 0.240 89 R C 2.451 178.994 176.300 0.405 0.000 1.139 89 R CA 2.537 58.899 56.100 0.436 0.000 0.952 89 R CB -0.600 29.841 30.300 0.235 0.000 0.854 89 R HN 0.472 nan 8.270 nan 0.000 0.436 90 R N 1.196 121.839 120.500 0.238 0.000 2.117 90 R HA -0.127 4.212 4.340 -0.000 0.000 0.243 90 R C 2.063 178.454 176.300 0.151 0.000 1.143 90 R CA 2.049 58.265 56.100 0.193 0.000 0.968 90 R CB -1.382 28.986 30.300 0.115 0.000 0.863 90 R HN 0.316 nan 8.270 nan 0.000 0.444 91 I N 0.130 120.767 120.570 0.112 0.000 2.353 91 I HA -0.139 4.030 4.170 -0.000 0.000 0.248 91 I C 2.066 178.177 176.117 -0.009 0.000 1.119 91 I CA 0.703 62.021 61.300 0.031 0.000 1.417 91 I CB -0.145 37.862 38.000 0.012 0.000 1.078 91 I HN 0.174 nan 8.210 nan 0.000 0.421 92 I N 1.062 121.670 120.570 0.063 0.000 2.252 92 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 92 I C 2.696 178.618 176.117 -0.324 0.000 1.102 92 I CA 1.694 62.953 61.300 -0.069 0.000 1.385 92 I CB -1.914 36.133 38.000 0.079 0.000 1.064 92 I HN 0.204 nan 8.210 nan 0.000 0.414 93 G N 0.420 109.033 108.800 -0.311 0.000 2.443 93 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.219 93 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.219 93 G C 1.736 176.589 174.900 -0.078 0.000 1.131 93 G CA 0.789 45.659 45.100 -0.383 0.000 0.775 93 G HN 0.485 nan 8.290 nan 0.000 0.547 94 A N -0.136 122.683 122.820 -0.001 0.000 2.119 94 A HA 0.320 4.640 4.320 -0.000 0.000 0.216 94 A C 2.239 179.819 177.584 -0.007 0.000 1.152 94 A CA 1.250 53.320 52.037 0.054 0.000 0.708 94 A CB 0.034 19.066 19.000 0.054 0.000 0.805 94 A HN 0.244 nan 8.150 nan 0.000 0.460 95 V N -0.045 119.801 119.914 -0.113 0.000 3.307 95 V HA -0.047 4.073 4.120 -0.000 0.000 0.253 95 V C 1.990 178.059 176.094 -0.041 0.000 1.149 95 V CA 1.333 63.554 62.300 -0.132 0.000 1.112 95 V CB -0.460 31.186 31.823 -0.295 0.000 0.777 95 V HN 0.743 nan 8.190 nan 0.000 0.464 96 R N 0.056 120.490 120.500 -0.110 0.000 2.356 96 R HA 0.143 4.483 4.340 -0.000 0.000 0.234 96 R C 0.353 176.627 176.300 -0.045 0.000 0.929 96 R CA 0.348 56.378 56.100 -0.116 0.000 1.084 96 R CB -0.846 29.292 30.300 -0.270 0.000 1.105 96 R HN 0.201 nan 8.270 nan 0.000 0.515 97 T N 1.844 116.414 114.554 0.027 0.000 3.262 97 T HA 0.296 4.645 4.350 -0.000 0.000 0.374 97 T C 1.039 175.777 174.700 0.064 0.000 1.504 97 T CA -0.523 61.635 62.100 0.096 0.000 1.158 97 T CB 0.403 69.410 68.868 0.232 0.000 1.157 97 T HN 0.184 nan 8.240 nan 0.000 0.644 98 L N 1.697 122.920 121.223 -0.001 0.000 2.079 98 L HA 0.067 4.406 4.340 -0.000 0.000 0.210 98 L C 2.053 178.854 176.870 -0.115 0.000 1.081 98 L CA 0.990 55.810 54.840 -0.033 0.000 0.752 98 L CB -1.232 40.788 42.059 -0.064 0.000 0.896 98 L HN 0.789 nan 8.230 nan 0.000 0.433 99 G N 0.578 109.210 108.800 -0.280 0.000 2.514 99 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.265 99 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.265 99 G C 0.817 175.295 174.900 -0.704 0.000 1.150 99 G CA 0.613 45.319 45.100 -0.656 0.000 0.959 99 G HN 0.410 nan 8.290 nan 0.000 0.556 100 S N 0.761 116.126 115.700 -0.557 0.000 2.547 100 S HA 0.317 4.787 4.470 -0.000 0.000 0.235 100 S C 2.388 176.795 174.600 -0.321 0.000 0.980 100 S CA 1.529 59.390 58.200 -0.565 0.000 0.941 100 S CB -0.177 62.654 63.200 -0.614 0.000 0.763 100 S HN 2.039 nan 8.310 nan 0.000 0.532 101 A N 2.727 125.422 122.820 -0.208 0.000 2.121 101 A HA 0.008 4.327 4.320 -0.000 0.000 0.218 101 A C 1.949 179.459 177.584 -0.123 0.000 1.154 101 A CA 0.900 52.873 52.037 -0.107 0.000 0.679 101 A CB -0.611 18.368 19.000 -0.035 0.000 0.795 101 A HN 0.675 nan 8.150 nan 0.000 0.458 102 N N -0.217 118.371 118.700 -0.188 0.000 2.521 102 N HA 0.045 4.784 4.740 -0.000 0.000 0.188 102 N C -0.144 175.275 175.510 -0.151 0.000 1.146 102 N CA 0.317 53.271 53.050 -0.160 0.000 0.893 102 N CB 0.086 38.458 38.487 -0.192 0.000 0.975 102 N HN 0.431 nan 8.380 nan 0.000 0.451 103 L N 1.908 123.029 121.223 -0.169 0.000 2.312 103 L HA 0.340 4.679 4.340 -0.000 0.000 0.281 103 L C -2.121 174.699 176.870 -0.083 0.000 1.070 103 L CA -1.851 52.905 54.840 -0.140 0.000 0.805 103 L CB 0.861 42.815 42.059 -0.175 0.000 1.174 103 L HN -0.266 nan 8.230 nan 0.000 0.434 104 P HA -0.056 nan 4.420 nan 0.000 0.269 104 P C 0.933 178.221 177.300 -0.021 0.000 1.217 104 P CA -0.242 62.836 63.100 -0.037 0.000 0.783 104 P CB 0.651 32.331 31.700 -0.033 0.000 0.898 105 L N 1.902 123.119 121.223 -0.010 0.000 1.991 105 L HA -0.356 3.984 4.340 -0.000 0.000 0.221 105 L C 1.932 178.808 176.870 0.010 0.000 1.079 105 L CA 2.874 57.716 54.840 0.003 0.000 0.778 105 L CB -1.119 40.942 42.059 0.005 0.000 0.893 105 L HN 0.429 nan 8.230 nan 0.000 0.437 106 A N -0.459 122.364 122.820 0.006 0.000 1.883 106 A HA -0.284 4.035 4.320 -0.000 0.000 0.217 106 A C 2.264 179.859 177.584 0.019 0.000 1.186 106 A CA 2.173 54.217 52.037 0.011 0.000 0.624 106 A CB -0.485 18.518 19.000 0.005 0.000 0.822 106 A HN 0.490 nan 8.150 nan 0.000 0.444 107 K N -0.757 119.649 120.400 0.010 0.000 2.097 107 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 107 K C 2.313 178.946 176.600 0.054 0.000 1.050 107 K CA 1.127 57.425 56.287 0.018 0.000 0.938 107 K CB -0.131 32.359 32.500 -0.017 0.000 0.718 107 K HN 0.409 nan 8.250 nan 0.000 0.442 108 R N 0.626 121.148 120.500 0.036 0.000 2.091 108 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 108 R C 2.292 178.670 176.300 0.130 0.000 1.136 108 R CA 1.880 58.025 56.100 0.076 0.000 0.959 108 R CB -0.237 30.088 30.300 0.042 0.000 0.856 108 R HN 0.354 nan 8.270 nan 0.000 0.437 109 Q N 0.244 120.093 119.800 0.081 0.000 2.167 109 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 109 Q C 2.054 178.100 176.000 0.077 0.000 0.970 109 Q CA 1.179 57.025 55.803 0.071 0.000 0.855 109 Q CB -0.040 28.724 28.738 0.044 0.000 0.911 109 Q HN 0.492 nan 8.270 nan 0.000 0.438 110 Q N -0.198 119.655 119.800 0.088 0.000 2.046 110 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 110 Q C 1.752 177.828 176.000 0.126 0.000 0.975 110 Q CA 1.299 57.155 55.803 0.087 0.000 0.836 110 Q CB -0.246 28.539 28.738 0.078 0.000 0.896 110 Q HN 0.348 nan 8.270 nan 0.000 0.428 111 Y N 2.618 122.944 120.300 0.043 0.000 2.014 111 Y HA -0.311 4.239 4.550 -0.001 0.000 0.270 111 Y C 1.935 177.900 175.900 0.109 0.000 1.145 111 Y CA 1.984 60.133 58.100 0.081 0.000 1.106 111 Y CB -0.473 38.009 38.460 0.037 0.000 0.968 111 Y HN 0.136 nan 8.280 nan 0.000 0.484 112 N N 0.337 119.109 118.700 0.119 0.000 2.247 112 N HA -0.219 4.521 4.740 -0.000 0.000 0.189 112 N C 1.763 177.252 175.510 -0.036 0.000 1.009 112 N CA 1.488 54.550 53.050 0.021 0.000 0.872 112 N CB -0.700 37.836 38.487 0.083 0.000 0.980 112 N HN 0.563 nan 8.380 nan 0.000 0.436 113 A N 0.696 123.512 122.820 -0.006 0.000 1.935 113 A HA 0.124 4.443 4.320 -0.000 0.000 0.214 113 A C 2.349 179.920 177.584 -0.021 0.000 1.178 113 A CA 0.269 52.299 52.037 -0.013 0.000 0.640 113 A CB -0.451 18.556 19.000 0.011 0.000 0.825 113 A HN 0.155 nan 8.150 nan 0.000 0.447 114 L N -0.324 120.891 121.223 -0.013 0.000 2.131 114 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 114 L C 2.480 179.315 176.870 -0.058 0.000 1.092 114 L CA 0.954 55.797 54.840 0.006 0.000 0.759 114 L CB -0.460 41.649 42.059 0.083 0.000 0.903 114 L HN 0.403 nan 8.230 nan 0.000 0.435 115 L N -0.769 120.370 121.223 -0.139 0.000 2.005 115 L HA -0.183 4.157 4.340 -0.000 0.000 0.207 115 L C 2.784 179.596 176.870 -0.097 0.000 1.072 115 L CA 1.652 56.386 54.840 -0.178 0.000 0.744 115 L CB -0.621 41.305 42.059 -0.221 0.000 0.895 115 L HN 0.338 nan 8.230 nan 0.000 0.433 116 S N -0.900 114.757 115.700 -0.071 0.000 2.453 116 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 116 S C 1.670 176.281 174.600 0.019 0.000 1.005 116 S CA 0.859 59.038 58.200 -0.036 0.000 0.949 116 S CB -0.377 62.735 63.200 -0.146 0.000 0.774 116 S HN 0.377 nan 8.310 nan 0.000 0.510 117 N N 1.565 120.267 118.700 0.002 0.000 2.207 117 N HA 0.216 4.956 4.740 -0.000 0.000 0.182 117 N C 1.696 177.227 175.510 0.034 0.000 1.020 117 N CA 1.116 54.182 53.050 0.027 0.000 0.858 117 N CB -0.448 38.052 38.487 0.021 0.000 0.991 117 N HN 0.418 nan 8.380 nan 0.000 0.427 118 M N -0.077 119.528 119.600 0.009 0.000 2.086 118 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 118 M C 2.273 178.582 176.300 0.014 0.000 1.067 118 M CA 1.179 56.484 55.300 0.007 0.000 1.116 118 M CB -0.430 32.145 32.600 -0.042 0.000 1.348 118 M HN 0.080 nan 8.290 nan 0.000 0.407 119 S N 0.177 115.868 115.700 -0.016 0.000 2.370 119 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 119 S C 2.095 176.762 174.600 0.112 0.000 1.033 119 S CA 1.339 59.542 58.200 0.004 0.000 1.011 119 S CB -0.283 62.930 63.200 0.023 0.000 0.852 119 S HN 0.341 nan 8.310 nan 0.000 0.457 120 R N 0.609 121.183 120.500 0.122 0.000 2.070 120 R HA -0.024 4.316 4.340 -0.000 0.000 0.233 120 R C 2.308 178.668 176.300 0.101 0.000 1.137 120 R CA 1.835 58.010 56.100 0.124 0.000 0.945 120 R CB -0.834 29.541 30.300 0.125 0.000 0.845 120 R HN 0.562 nan 8.270 nan 0.000 0.430 121 I N 0.041 120.662 120.570 0.085 0.000 2.151 121 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 121 I C 2.397 178.556 176.117 0.071 0.000 1.080 121 I CA 1.626 62.962 61.300 0.059 0.000 1.339 121 I CB -0.534 37.493 38.000 0.045 0.000 1.039 121 I HN 0.225 nan 8.210 nan 0.000 0.409 122 Y N 1.473 121.774 120.300 0.002 0.000 2.114 122 Y HA -0.233 4.317 4.550 -0.001 0.000 0.284 122 Y C 2.510 178.530 175.900 0.199 0.000 1.143 122 Y CA 1.858 59.991 58.100 0.055 0.000 1.135 122 Y CB -0.166 38.299 38.460 0.009 0.000 0.980 122 Y HN 0.007 nan 8.280 nan 0.000 0.499 123 S N -0.760 115.071 115.700 0.218 0.000 2.701 123 S HA 0.005 4.475 4.470 -0.000 0.000 0.220 123 S C 1.157 175.813 174.600 0.093 0.000 0.954 123 S CA 0.989 59.286 58.200 0.162 0.000 0.936 123 S CB -0.171 63.158 63.200 0.214 0.000 0.777 123 S HN 0.506 nan 8.310 nan 0.000 0.518 124 T N 1.138 115.733 114.554 0.067 0.000 2.964 124 T HA 0.343 4.693 4.350 -0.000 0.000 0.250 124 T C 0.858 175.583 174.700 0.041 0.000 0.982 124 T CA 0.092 62.223 62.100 0.051 0.000 0.959 124 T CB 0.207 69.099 68.868 0.041 0.000 1.141 124 T HN 0.378 nan 8.240 nan 0.000 0.494 125 A N 2.106 124.932 122.820 0.010 0.000 2.587 125 A HA 0.394 4.714 4.320 -0.000 0.000 0.235 125 A C 0.162 177.805 177.584 0.098 0.000 1.044 125 A CA 0.690 52.706 52.037 -0.035 0.000 0.754 125 A CB 0.034 18.862 19.000 -0.288 0.000 0.968 125 A HN 0.393 nan 8.150 nan 0.000 0.509 126 K N 0.342 120.774 120.400 0.052 0.000 2.480 126 K HA 0.675 4.995 4.320 -0.000 0.000 0.258 126 K C -1.534 175.102 176.600 0.060 0.000 0.990 126 K CA -0.608 55.737 56.287 0.097 0.000 0.857 126 K CB 2.563 35.094 32.500 0.051 0.000 1.384 126 K HN 0.395 nan 8.250 nan 0.000 0.446 127 V N 1.409 121.371 119.914 0.080 0.000 2.444 127 V HA 0.386 4.506 4.120 -0.000 0.000 0.294 127 V C -0.762 175.240 176.094 -0.154 0.000 1.022 127 V CA -0.893 61.401 62.300 -0.009 0.000 0.850 127 V CB 1.228 33.112 31.823 0.101 0.000 0.992 127 V HN 0.823 nan 8.190 nan 0.000 0.426 128 c N 5.605 124.107 118.600 -0.163 0.000 2.397 128 c HA 0.800 5.369 4.570 -0.000 0.000 0.343 128 c C -0.069 173.931 174.090 -0.149 0.000 1.188 128 c CA -0.859 55.349 56.329 -0.201 0.000 1.992 128 c CB 1.052 43.490 42.510 -0.119 0.000 2.358 128 c HN 0.671 nan 8.230 nan 0.000 0.518 129 L N 2.578 123.677 121.223 -0.207 0.000 2.344 129 L HA 0.423 4.762 4.340 -0.000 0.000 0.272 129 L C -1.533 175.292 176.870 -0.076 0.000 1.035 129 L CA -1.627 53.140 54.840 -0.123 0.000 0.807 129 L CB -0.139 41.730 42.059 -0.316 0.000 1.237 129 L HN 0.383 nan 8.230 nan 0.000 0.442 130 P HA -0.189 nan 4.420 nan 0.000 0.224 130 P C -0.160 177.103 177.300 -0.063 0.000 1.138 130 P CA 1.135 64.205 63.100 -0.050 0.000 0.780 130 P CB -0.097 31.559 31.700 -0.073 0.000 0.755 131 N N 0.037 118.687 118.700 -0.083 0.000 2.521 131 N HA 0.103 4.843 4.740 -0.000 0.000 0.236 131 N C 0.952 176.423 175.510 -0.064 0.000 1.067 131 N CA 0.049 53.058 53.050 -0.068 0.000 0.939 131 N CB 0.305 38.749 38.487 -0.071 0.000 1.201 131 N HN -0.092 nan 8.380 nan 0.000 0.511 132 K N 1.926 122.298 120.400 -0.047 0.000 2.589 132 K HA 0.021 4.340 4.320 -0.000 0.000 0.192 132 K C 1.123 177.703 176.600 -0.033 0.000 1.029 132 K CA 1.154 57.417 56.287 -0.041 0.000 1.031 132 K CB -1.307 31.175 32.500 -0.031 0.000 0.821 132 K HN 0.743 nan 8.250 nan 0.000 0.502 133 T N 1.485 116.021 114.554 -0.031 0.000 4.104 133 T HA 0.580 4.930 4.350 -0.000 0.000 0.285 133 T C 0.667 175.353 174.700 -0.023 0.000 1.346 133 T CA 0.034 62.121 62.100 -0.021 0.000 1.158 133 T CB -1.358 67.502 68.868 -0.014 0.000 1.290 133 T HN 1.103 nan 8.240 nan 0.000 0.975 134 A N 2.063 124.868 122.820 -0.025 0.000 2.290 134 A HA 0.389 4.709 4.320 -0.000 0.000 0.313 134 A C 1.175 178.748 177.584 -0.019 0.000 0.837 134 A CA 1.343 53.364 52.037 -0.026 0.000 1.319 134 A CB -1.188 17.804 19.000 -0.012 0.000 0.671 134 A HN 2.049 nan 8.150 nan 0.000 0.303 135 T N 1.912 116.442 114.554 -0.040 0.000 4.617 135 T HA 0.434 4.784 4.350 -0.000 0.000 0.204 135 T C -0.118 174.526 174.700 -0.093 0.000 0.898 135 T CA 0.052 62.143 62.100 -0.014 0.000 1.387 135 T CB -0.989 67.887 68.868 0.013 0.000 0.765 135 T HN 1.134 nan 8.240 nan 0.000 0.563 136 c N 1.918 120.468 118.600 -0.083 0.000 2.534 136 c HA 0.764 5.334 4.570 -0.000 0.000 0.385 136 c C 0.356 174.467 174.090 0.034 0.000 1.264 136 c CA -1.027 55.211 56.329 -0.151 0.000 2.342 136 c CB -0.342 42.126 42.510 -0.072 0.000 2.564 136 c HN 0.648 nan 8.230 nan 0.000 0.603 137 W N 1.646 122.985 121.300 0.064 0.000 2.381 137 W HA 0.519 5.179 4.660 -0.000 0.000 0.329 137 W C 0.626 177.176 176.519 0.051 0.000 1.157 137 W CA -0.636 56.741 57.345 0.054 0.000 1.240 137 W CB 0.536 30.032 29.460 0.061 0.000 1.199 137 W HN 0.822 nan 8.180 nan 0.000 0.579 138 S N 1.091 116.949 115.700 0.263 0.000 2.730 138 S HA 0.365 4.835 4.470 -0.000 0.000 0.284 138 S C 0.588 175.216 174.600 0.046 0.000 1.153 138 S CA -0.624 57.663 58.200 0.145 0.000 0.995 138 S CB 1.380 64.636 63.200 0.094 0.000 1.058 138 S HN 0.352 nan 8.310 nan 0.000 0.552 139 L N 0.512 121.677 121.223 -0.097 0.000 2.044 139 L HA 0.283 4.622 4.340 -0.000 0.000 0.205 139 L C 0.310 177.056 176.870 -0.206 0.000 1.075 139 L CA 1.959 56.573 54.840 -0.377 0.000 0.747 139 L CB -0.559 41.017 42.059 -0.806 0.000 0.903 139 L HN 0.913 nan 8.230 nan 0.000 0.435 140 D N -0.915 119.428 120.400 -0.095 0.000 2.481 140 D HA 0.267 4.906 4.640 -0.000 0.000 0.246 140 D C -2.103 174.195 176.300 -0.004 0.000 1.109 140 D CA -2.062 51.919 54.000 -0.032 0.000 0.845 140 D CB 2.004 42.812 40.800 0.013 0.000 1.160 140 D HN 0.105 nan 8.370 nan 0.000 0.534 141 P HA 0.124 nan 4.420 nan 0.000 0.260 141 P C 0.561 177.814 177.300 -0.078 0.000 1.222 141 P CA -0.042 63.037 63.100 -0.034 0.000 0.843 141 P CB 1.109 32.799 31.700 -0.017 0.000 1.159 142 D N 1.169 121.526 120.400 -0.071 0.000 2.204 142 D HA -0.187 4.453 4.640 -0.000 0.000 0.189 142 D C 2.064 178.202 176.300 -0.269 0.000 1.006 142 D CA 1.419 55.315 54.000 -0.174 0.000 0.855 142 D CB -0.415 40.338 40.800 -0.079 0.000 0.946 142 D HN 0.255 nan 8.370 nan 0.000 0.448 143 L N 0.323 121.449 121.223 -0.162 0.000 2.095 143 L HA -0.089 4.251 4.340 -0.000 0.000 0.204 143 L C 2.740 179.505 176.870 -0.174 0.000 1.080 143 L CA 0.912 55.652 54.840 -0.166 0.000 0.759 143 L CB -0.743 41.248 42.059 -0.114 0.000 0.914 143 L HN -0.009 nan 8.230 nan 0.000 0.439 144 T N 0.272 114.729 114.554 -0.163 0.000 2.721 144 T HA -0.176 4.173 4.350 -0.000 0.000 0.268 144 T C 1.669 176.319 174.700 -0.082 0.000 1.038 144 T CA 1.681 63.714 62.100 -0.111 0.000 1.145 144 T CB -0.226 68.607 68.868 -0.058 0.000 0.858 144 T HN 0.318 nan 8.240 nan 0.000 0.459 145 N N 0.815 119.453 118.700 -0.104 0.000 2.250 145 N HA 0.106 4.846 4.740 -0.000 0.000 0.181 145 N C 1.852 177.294 175.510 -0.114 0.000 1.017 145 N CA 0.701 53.694 53.050 -0.095 0.000 0.866 145 N CB -0.323 38.099 38.487 -0.107 0.000 0.985 145 N HN 0.419 nan 8.380 nan 0.000 0.429 146 I N 0.285 120.751 120.570 -0.173 0.000 2.315 146 I HA -0.172 3.997 4.170 -0.000 0.000 0.248 146 I C 1.349 177.418 176.117 -0.080 0.000 1.117 146 I CA 0.851 62.051 61.300 -0.166 0.000 1.404 146 I CB -0.094 37.751 38.000 -0.258 0.000 1.071 146 I HN -0.001 nan 8.210 nan 0.000 0.419 147 L N 0.198 121.381 121.223 -0.068 0.000 2.591 147 L HA 0.120 4.460 4.340 -0.000 0.000 0.228 147 L C 2.038 178.897 176.870 -0.018 0.000 1.133 147 L CA 0.466 55.285 54.840 -0.034 0.000 0.880 147 L CB -0.088 41.948 42.059 -0.038 0.000 1.033 147 L HN 0.139 nan 8.230 nan 0.000 0.450 148 A N -1.821 120.988 122.820 -0.019 0.000 2.055 148 A HA 0.120 4.440 4.320 -0.000 0.000 0.205 148 A C 1.924 179.514 177.584 0.010 0.000 1.235 148 A CA 0.844 52.886 52.037 0.010 0.000 0.822 148 A CB 0.128 19.136 19.000 0.014 0.000 0.903 148 A HN 0.336 nan 8.150 nan 0.000 0.473 149 S N -1.646 114.049 115.700 -0.008 0.000 2.728 149 S HA 0.251 4.720 4.470 -0.000 0.000 0.257 149 S C 0.559 175.156 174.600 -0.005 0.000 1.060 149 S CA 0.463 58.662 58.200 -0.002 0.000 1.126 149 S CB -0.362 62.834 63.200 -0.006 0.000 1.099 149 S HN 0.336 nan 8.310 nan 0.000 0.617 150 S N 1.184 116.876 115.700 -0.014 0.000 2.565 150 S HA 0.534 5.003 4.470 -0.000 0.000 0.276 150 S C 0.346 174.966 174.600 0.034 0.000 1.326 150 S CA -0.380 57.819 58.200 -0.001 0.000 1.045 150 S CB 0.720 63.911 63.200 -0.016 0.000 0.918 150 S HN 0.301 nan 8.310 nan 0.000 0.505 151 R N 2.087 122.621 120.500 0.057 0.000 2.629 151 R HA 0.320 4.660 4.340 -0.000 0.000 0.386 151 R C -0.273 176.140 176.300 0.188 0.000 1.071 151 R CA -0.056 56.117 56.100 0.122 0.000 1.104 151 R CB 0.520 30.843 30.300 0.038 0.000 1.370 151 R HN 0.461 nan 8.270 nan 0.000 0.574 152 S N -0.165 115.610 115.700 0.125 0.000 2.422 152 S HA 0.083 4.553 4.470 -0.000 0.000 0.298 152 S C 0.708 175.366 174.600 0.096 0.000 1.118 152 S CA -0.583 57.691 58.200 0.124 0.000 1.083 152 S CB 0.337 63.587 63.200 0.083 0.000 0.971 152 S HN 0.425 nan 8.310 nan 0.000 0.478 153 Y N 5.447 125.718 120.300 -0.049 0.000 2.165 153 Y HA -0.152 4.398 4.550 -0.000 0.000 0.286 153 Y C 2.171 177.984 175.900 -0.145 0.000 1.155 153 Y CA 2.298 60.246 58.100 -0.253 0.000 1.164 153 Y CB -0.506 37.623 38.460 -0.551 0.000 0.978 153 Y HN 0.829 nan 8.280 nan 0.000 0.513 154 A N 0.326 123.183 122.820 0.061 0.000 1.845 154 A HA -0.278 4.042 4.320 -0.000 0.000 0.215 154 A C 2.427 180.082 177.584 0.120 0.000 1.195 154 A CA 2.054 54.127 52.037 0.060 0.000 0.616 154 A CB -1.024 18.050 19.000 0.122 0.000 0.832 154 A HN 0.639 nan 8.150 nan 0.000 0.443 155 M N -0.638 119.038 119.600 0.125 0.000 2.149 155 M HA -0.112 4.368 4.480 -0.000 0.000 0.261 155 M C 1.894 178.314 176.300 0.200 0.000 1.064 155 M CA 1.517 56.932 55.300 0.190 0.000 1.102 155 M CB -0.283 32.394 32.600 0.129 0.000 1.369 155 M HN 0.431 nan 8.290 nan 0.000 0.408 156 L N -0.401 120.872 121.223 0.082 0.000 2.056 156 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 156 L C 2.385 179.318 176.870 0.105 0.000 1.078 156 L CA 0.688 55.582 54.840 0.090 0.000 0.749 156 L CB -0.720 41.338 42.059 -0.001 0.000 0.901 156 L HN 0.380 nan 8.230 nan 0.000 0.433 157 L N -0.952 120.197 121.223 -0.125 0.000 2.093 157 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 157 L C 2.294 179.224 176.870 0.101 0.000 1.085 157 L CA 1.624 56.228 54.840 -0.394 0.000 0.755 157 L CB -0.562 41.101 42.059 -0.659 0.000 0.904 157 L HN 0.058 nan 8.230 nan 0.000 0.435 158 F N 0.181 120.231 119.950 0.166 0.000 2.134 158 F HA -0.147 4.380 4.527 -0.001 0.000 0.299 158 F C 2.322 178.272 175.800 0.249 0.000 1.097 158 F CA 1.554 59.721 58.000 0.279 0.000 1.264 158 F CB -0.509 38.657 39.000 0.276 0.000 1.001 158 F HN 0.164 nan 8.300 nan 0.000 0.479 159 A N -1.079 121.982 122.820 0.401 0.000 1.929 159 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 159 A C 2.039 179.754 177.584 0.220 0.000 1.176 159 A CA 1.250 53.487 52.037 0.333 0.000 0.628 159 A CB -1.626 17.554 19.000 0.299 0.000 0.816 159 A HN 0.692 nan 8.150 nan 0.000 0.444 160 W N 0.706 122.028 121.300 0.036 0.000 2.380 160 W HA -0.143 4.517 4.660 -0.000 0.000 0.317 160 W C 2.173 178.729 176.519 0.061 0.000 1.196 160 W CA 1.963 59.324 57.345 0.027 0.000 1.307 160 W CB -0.192 29.185 29.460 -0.138 0.000 1.157 160 W HN 0.466 nan 8.180 nan 0.000 0.483 161 E N -0.380 119.949 120.200 0.216 0.000 2.038 161 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 161 E C 2.372 178.871 176.600 -0.168 0.000 1.000 161 E CA 1.862 58.263 56.400 0.003 0.000 0.803 161 E CB -0.950 28.805 29.700 0.092 0.000 0.750 161 E HN 0.328 nan 8.360 nan 0.000 0.448 162 G N 1.581 110.262 108.800 -0.197 0.000 2.513 162 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.219 162 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.219 162 G C 1.350 176.167 174.900 -0.138 0.000 1.160 162 G CA 0.932 45.885 45.100 -0.245 0.000 0.767 162 G HN 0.588 nan 8.290 nan 0.000 0.571 163 W N 0.899 122.070 121.300 -0.216 0.000 2.358 163 W HA -0.132 4.528 4.660 -0.001 0.000 0.303 163 W C 2.295 178.602 176.519 -0.354 0.000 1.208 163 W CA 1.586 58.772 57.345 -0.265 0.000 1.274 163 W CB -0.360 28.913 29.460 -0.313 0.000 1.138 163 W HN 0.427 nan 8.180 nan 0.000 0.515 164 H N 0.363 119.051 119.070 -0.637 0.000 2.387 164 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 164 H C 2.042 177.064 175.328 -0.511 0.000 1.090 164 H CA 2.211 57.838 56.048 -0.702 0.000 1.332 164 H CB -0.407 28.842 29.762 -0.856 0.000 1.386 164 H HN 0.092 nan 8.280 nan 0.000 0.516 165 N N -0.008 118.518 118.700 -0.291 0.000 2.207 165 N HA -0.026 4.713 4.740 -0.000 0.000 0.182 165 N C 2.009 177.383 175.510 -0.227 0.000 1.020 165 N CA 1.067 54.008 53.050 -0.183 0.000 0.858 165 N CB -0.384 38.026 38.487 -0.129 0.000 0.991 165 N HN 0.360 nan 8.380 nan 0.000 0.427 166 A N 0.696 123.325 122.820 -0.318 0.000 1.933 166 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 166 A C 2.225 179.547 177.584 -0.437 0.000 1.175 166 A CA 1.931 53.774 52.037 -0.324 0.000 0.628 166 A CB -0.471 18.352 19.000 -0.294 0.000 0.814 166 A HN 0.332 nan 8.150 nan 0.000 0.444 167 A N -1.208 121.175 122.820 -0.729 0.000 1.924 167 A HA 0.371 4.691 4.320 -0.000 0.000 0.211 167 A C 2.294 179.661 177.584 -0.361 0.000 1.198 167 A CA 1.364 52.956 52.037 -0.742 0.000 0.657 167 A CB -0.947 17.166 19.000 -1.478 0.000 0.852 167 A HN 0.625 nan 8.150 nan 0.000 0.454 168 G N -0.214 108.393 108.800 -0.321 0.000 2.453 168 G HA2 0.020 3.980 3.960 -0.000 0.000 0.215 168 G HA3 0.020 3.980 3.960 -0.000 0.000 0.215 168 G C 1.485 176.472 174.900 0.145 0.000 1.147 168 G CA 0.751 45.810 45.100 -0.068 0.000 0.802 168 G HN 0.383 nan 8.290 nan 0.000 0.535 169 I N 1.877 122.478 120.570 0.052 0.000 2.099 169 I HA -0.127 4.043 4.170 -0.000 0.000 0.239 169 I C 0.283 176.429 176.117 0.048 0.000 1.066 169 I CA 1.428 62.776 61.300 0.079 0.000 1.324 169 I CB -0.851 37.176 38.000 0.044 0.000 1.037 169 I HN 0.162 nan 8.210 nan 0.000 0.401 170 P HA -0.147 nan 4.420 nan 0.000 0.226 170 P C 1.671 178.993 177.300 0.037 0.000 1.153 170 P CA 1.153 64.258 63.100 0.008 0.000 0.777 170 P CB 0.082 31.771 31.700 -0.018 0.000 0.794 171 L N 0.005 121.278 121.223 0.082 0.000 2.375 171 L HA 0.130 4.470 4.340 -0.000 0.000 0.215 171 L C 2.512 179.466 176.870 0.140 0.000 1.108 171 L CA 1.339 56.263 54.840 0.140 0.000 0.830 171 L CB -1.125 41.049 42.059 0.192 0.000 0.959 171 L HN -0.186 nan 8.230 nan 0.000 0.457 172 K N 0.447 120.869 120.400 0.037 0.000 2.009 172 K HA -0.123 4.197 4.320 -0.000 0.000 0.210 172 K C -0.592 175.943 176.600 -0.109 0.000 1.049 172 K CA 1.837 57.961 56.287 -0.271 0.000 0.929 172 K CB -0.952 31.379 32.500 -0.282 0.000 0.714 172 K HN 0.234 nan 8.250 nan 0.000 0.440 173 P HA -0.196 nan 4.420 nan 0.000 0.216 173 P C 1.385 178.707 177.300 0.037 0.000 1.150 173 P CA 1.489 64.578 63.100 -0.017 0.000 0.843 173 P CB -0.105 31.588 31.700 -0.012 0.000 0.787 174 L N -2.328 118.939 121.223 0.073 0.000 2.072 174 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 174 L C 2.932 179.922 176.870 0.200 0.000 1.079 174 L CA 1.401 56.312 54.840 0.117 0.000 0.752 174 L CB -1.419 40.705 42.059 0.107 0.000 0.906 174 L HN -0.107 nan 8.230 nan 0.000 0.436 175 Y N 1.494 121.862 120.300 0.113 0.000 2.256 175 Y HA -0.255 4.294 4.550 -0.000 0.000 0.288 175 Y C 2.427 178.502 175.900 0.292 0.000 1.155 175 Y CA 1.598 59.833 58.100 0.225 0.000 1.203 175 Y CB -0.129 38.454 38.460 0.204 0.000 0.980 175 Y HN 0.264 nan 8.280 nan 0.000 0.530 176 E N -0.669 119.664 120.200 0.222 0.000 2.072 176 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 176 E C 1.666 178.308 176.600 0.070 0.000 0.982 176 E CA 1.210 57.691 56.400 0.135 0.000 0.803 176 E CB -0.110 29.611 29.700 0.035 0.000 0.755 176 E HN 0.483 nan 8.360 nan 0.000 0.453 177 D N 0.583 121.032 120.400 0.080 0.000 2.117 177 D HA -0.134 4.505 4.640 -0.000 0.000 0.198 177 D C 1.741 178.085 176.300 0.073 0.000 0.982 177 D CA 0.676 54.713 54.000 0.063 0.000 0.828 177 D CB -0.316 40.526 40.800 0.070 0.000 0.967 177 D HN 0.106 nan 8.370 nan 0.000 0.464 178 F N 2.066 122.015 119.950 -0.003 0.000 2.126 178 F HA -0.219 4.308 4.527 -0.001 0.000 0.299 178 F C 2.191 178.016 175.800 0.042 0.000 1.096 178 F CA 1.566 59.574 58.000 0.014 0.000 1.255 178 F CB -0.578 38.381 39.000 -0.069 0.000 0.997 178 F HN -0.166 nan 8.300 nan 0.000 0.479 179 T N 0.870 115.298 114.554 -0.210 0.000 2.708 179 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 179 T C 2.254 176.862 174.700 -0.154 0.000 1.037 179 T CA 1.533 63.520 62.100 -0.188 0.000 1.146 179 T CB -0.918 67.926 68.868 -0.039 0.000 0.865 179 T HN 0.404 nan 8.240 nan 0.000 0.435 180 A N 1.098 123.863 122.820 -0.093 0.000 1.902 180 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 180 A C 2.331 179.840 177.584 -0.125 0.000 1.181 180 A CA 1.144 53.135 52.037 -0.077 0.000 0.623 180 A CB -0.810 18.165 19.000 -0.042 0.000 0.818 180 A HN 0.460 nan 8.150 nan 0.000 0.443 181 L N -1.010 120.130 121.223 -0.139 0.000 2.056 181 L HA -0.121 4.218 4.340 -0.000 0.000 0.207 181 L C 2.868 179.572 176.870 -0.277 0.000 1.078 181 L CA 1.444 56.196 54.840 -0.148 0.000 0.749 181 L CB -0.428 41.623 42.059 -0.014 0.000 0.901 181 L HN 0.472 nan 8.230 nan 0.000 0.433 182 S N -0.084 115.390 115.700 -0.376 0.000 2.419 182 S HA -0.172 4.297 4.470 -0.000 0.000 0.233 182 S C 1.616 176.028 174.600 -0.313 0.000 1.016 182 S CA 1.709 59.655 58.200 -0.423 0.000 0.974 182 S CB -0.190 62.622 63.200 -0.646 0.000 0.786 182 S HN 0.429 nan 8.310 nan 0.000 0.492 183 N N 0.871 119.406 118.700 -0.275 0.000 2.220 183 N HA 0.069 4.809 4.740 -0.000 0.000 0.182 183 N C 1.802 177.221 175.510 -0.152 0.000 1.023 183 N CA 1.002 53.932 53.050 -0.199 0.000 0.856 183 N CB -0.214 38.190 38.487 -0.139 0.000 0.997 183 N HN 0.378 nan 8.380 nan 0.000 0.429 184 E N 0.526 120.630 120.200 -0.160 0.000 2.065 184 E HA -0.278 4.071 4.350 -0.000 0.000 0.201 184 E C 1.795 178.283 176.600 -0.188 0.000 1.016 184 E CA 1.251 57.564 56.400 -0.145 0.000 0.818 184 E CB -0.157 29.455 29.700 -0.146 0.000 0.749 184 E HN 0.374 nan 8.360 nan 0.000 0.453 185 A N 0.675 123.322 122.820 -0.289 0.000 1.848 185 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 185 A C 1.987 179.330 177.584 -0.402 0.000 1.220 185 A CA 1.971 53.750 52.037 -0.431 0.000 0.645 185 A CB -1.414 17.177 19.000 -0.681 0.000 0.842 185 A HN 0.422 nan 8.150 nan 0.000 0.451 186 Y N -0.176 119.974 120.300 -0.249 0.000 2.421 186 Y HA -0.129 4.420 4.550 -0.000 0.000 0.292 186 Y C 2.311 178.185 175.900 -0.044 0.000 1.136 186 Y CA 1.546 59.535 58.100 -0.186 0.000 1.255 186 Y CB -0.078 38.191 38.460 -0.318 0.000 0.991 186 Y HN 0.385 nan 8.280 nan 0.000 0.552 187 K N 0.555 120.975 120.400 0.034 0.000 2.362 187 K HA -0.178 4.141 4.320 -0.000 0.000 0.200 187 K C 1.446 178.046 176.600 -0.000 0.000 1.046 187 K CA 1.104 57.407 56.287 0.028 0.000 0.952 187 K CB 0.001 32.488 32.500 -0.022 0.000 0.753 187 K HN 0.415 nan 8.250 nan 0.000 0.466 188 Q N -0.298 119.481 119.800 -0.035 0.000 2.425 188 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 188 Q C 0.196 176.171 176.000 -0.041 0.000 0.933 188 Q CA 0.545 56.314 55.803 -0.057 0.000 0.939 188 Q CB 0.541 29.223 28.738 -0.094 0.000 1.044 188 Q HN 0.292 nan 8.270 nan 0.000 0.513 189 D N -1.064 119.350 120.400 0.024 0.000 2.349 189 D HA 0.115 4.755 4.640 -0.000 0.000 0.214 189 D C 0.893 177.132 176.300 -0.102 0.000 1.063 189 D CA 0.701 54.734 54.000 0.055 0.000 0.847 189 D CB 0.866 41.831 40.800 0.275 0.000 0.933 189 D HN 0.336 nan 8.370 nan 0.000 0.513 190 G N -0.453 108.276 108.800 -0.117 0.000 2.218 190 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 190 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 190 G C 0.126 174.839 174.900 -0.311 0.000 0.994 190 G CA -0.552 44.384 45.100 -0.274 0.000 0.637 190 G HN 0.220 nan 8.290 nan 0.000 0.505 191 F N 1.018 120.966 119.950 -0.004 0.000 2.370 191 F HA 0.616 5.142 4.527 -0.001 0.000 0.324 191 F C 1.894 177.664 175.800 -0.050 0.000 1.116 191 F CA 0.256 58.240 58.000 -0.027 0.000 1.123 191 F CB 0.798 39.776 39.000 -0.038 0.000 1.238 191 F HN -0.092 nan 8.300 nan 0.000 0.536 192 T N 0.127 114.761 114.554 0.133 0.000 2.746 192 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 192 T C -0.220 174.487 174.700 0.012 0.000 1.039 192 T CA 1.895 64.021 62.100 0.044 0.000 1.142 192 T CB -0.545 68.336 68.868 0.021 0.000 0.866 192 T HN 0.813 nan 8.240 nan 0.000 0.444 193 D N -2.510 117.877 120.400 -0.022 0.000 2.665 193 D HA 0.293 4.933 4.640 -0.000 0.000 0.287 193 D C 0.541 176.649 176.300 -0.320 0.000 1.266 193 D CA -0.593 53.332 54.000 -0.125 0.000 0.830 193 D CB 0.283 41.036 40.800 -0.079 0.000 1.356 193 D HN -0.279 nan 8.370 nan 0.000 0.437 194 T N -0.458 113.729 114.554 -0.611 0.000 2.699 194 T HA -0.082 4.267 4.350 -0.000 0.000 0.268 194 T C 1.925 175.977 174.700 -1.079 0.000 1.036 194 T CA 1.898 63.339 62.100 -1.099 0.000 1.147 194 T CB -0.856 66.795 68.868 -2.029 0.000 0.862 194 T HN 0.635 nan 8.240 nan 0.000 0.446 195 G N 1.280 109.672 108.800 -0.681 0.000 2.513 195 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 195 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 195 G C 1.811 176.436 174.900 -0.458 0.000 1.160 195 G CA 1.065 45.972 45.100 -0.322 0.000 0.767 195 G HN 0.626 nan 8.290 nan 0.000 0.571 196 A N -0.487 122.108 122.820 -0.374 0.000 1.969 196 A HA 0.023 4.343 4.320 -0.000 0.000 0.218 196 A C 2.186 179.497 177.584 -0.456 0.000 1.169 196 A CA 1.700 53.564 52.037 -0.288 0.000 0.635 196 A CB -0.520 18.457 19.000 -0.038 0.000 0.810 196 A HN 0.523 nan 8.150 nan 0.000 0.445 197 Y N -0.977 118.731 120.300 -0.988 0.000 2.184 197 Y HA -0.170 4.380 4.550 -0.000 0.000 0.290 197 Y C 2.008 177.217 175.900 -1.151 0.000 1.129 197 Y CA 1.370 58.543 58.100 -1.545 0.000 1.144 197 Y CB -0.451 36.927 38.460 -1.803 0.000 0.995 197 Y HN 0.408 nan 8.280 nan 0.000 0.513 198 W N 1.138 121.690 121.300 -1.247 0.000 2.333 198 W HA -0.158 4.502 4.660 -0.001 0.000 0.316 198 W C 2.595 178.544 176.519 -0.950 0.000 1.215 198 W CA 1.879 58.385 57.345 -1.398 0.000 1.278 198 W CB -1.124 28.075 29.460 -0.435 0.000 1.154 198 W HN 0.049 nan 8.180 nan 0.000 0.486 199 R N 0.377 120.701 120.500 -0.292 0.000 2.081 199 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 199 R C 2.293 178.487 176.300 -0.176 0.000 1.131 199 R CA 1.995 58.020 56.100 -0.125 0.000 0.960 199 R CB -1.227 28.934 30.300 -0.232 0.000 0.856 199 R HN 0.202 nan 8.270 nan 0.000 0.436 200 S N 0.183 115.694 115.700 -0.314 0.000 2.488 200 S HA -0.152 4.318 4.470 -0.000 0.000 0.246 200 S C 1.277 175.807 174.600 -0.115 0.000 0.992 200 S CA 0.655 58.758 58.200 -0.162 0.000 0.963 200 S CB -0.361 62.803 63.200 -0.061 0.000 0.754 200 S HN 0.410 nan 8.310 nan 0.000 0.519 201 W N 0.700 121.823 121.300 -0.295 0.000 2.699 201 W HA 0.199 4.859 4.660 -0.001 0.000 0.249 201 W C 0.753 176.963 176.519 -0.514 0.000 1.280 201 W CA -0.214 56.867 57.345 -0.439 0.000 1.345 201 W CB -1.035 28.044 29.460 -0.636 0.000 1.128 201 W HN 0.496 nan 8.180 nan 0.000 0.642 202 Y N -0.141 120.133 120.300 -0.043 0.000 2.458 202 Y HA 0.128 4.678 4.550 -0.000 0.000 0.256 202 Y C 0.616 176.689 175.900 0.289 0.000 1.159 202 Y CA -0.222 57.848 58.100 -0.051 0.000 1.261 202 Y CB -0.809 37.262 38.460 -0.648 0.000 1.119 202 Y HN -0.079 nan 8.280 nan 0.000 0.524 203 N N 1.701 120.568 118.700 0.278 0.000 2.652 203 N HA -0.212 4.528 4.740 -0.000 0.000 0.281 203 N C -0.512 175.168 175.510 0.283 0.000 1.084 203 N CA 0.634 53.831 53.050 0.245 0.000 0.775 203 N CB -0.586 38.028 38.487 0.211 0.000 0.923 203 N HN 0.171 nan 8.380 nan 0.000 0.558 204 S N 0.454 116.312 115.700 0.263 0.000 2.653 204 S HA 0.419 4.889 4.470 -0.000 0.000 0.268 204 S C -2.298 172.444 174.600 0.236 0.000 1.153 204 S CA -1.185 57.186 58.200 0.285 0.000 1.036 204 S CB 1.604 65.070 63.200 0.443 0.000 1.103 204 S HN 0.001 nan 8.310 nan 0.000 0.466 205 P HA 0.059 nan 4.420 nan 0.000 0.239 205 P C 0.875 178.266 177.300 0.152 0.000 1.184 205 P CA 0.769 63.950 63.100 0.136 0.000 0.760 205 P CB -0.012 31.746 31.700 0.097 0.000 0.884 206 T N -6.805 107.870 114.554 0.201 0.000 3.043 206 T HA 0.129 4.479 4.350 -0.000 0.000 0.272 206 T C 1.223 176.075 174.700 0.252 0.000 0.990 206 T CA -0.363 61.853 62.100 0.193 0.000 0.897 206 T CB -0.880 68.086 68.868 0.164 0.000 1.111 206 T HN -0.164 nan 8.240 nan 0.000 0.529 207 F N 3.240 123.276 119.950 0.143 0.000 2.063 207 F HA -0.215 4.312 4.527 -0.000 0.000 0.297 207 F C 2.003 177.889 175.800 0.143 0.000 1.099 207 F CA 2.041 60.125 58.000 0.140 0.000 1.220 207 F CB -0.441 38.626 39.000 0.112 0.000 0.972 207 F HN 0.230 nan 8.300 nan 0.000 0.487 208 E N -0.601 119.622 120.200 0.038 0.000 2.077 208 E HA -0.226 4.123 4.350 -0.000 0.000 0.193 208 E C 1.907 178.543 176.600 0.061 0.000 0.989 208 E CA 1.390 57.782 56.400 -0.014 0.000 0.800 208 E CB -0.206 29.533 29.700 0.065 0.000 0.746 208 E HN 0.436 nan 8.360 nan 0.000 0.452 209 D N 0.440 120.900 120.400 0.100 0.000 2.149 209 D HA -0.116 4.523 4.640 -0.000 0.000 0.201 209 D C 1.429 177.814 176.300 0.142 0.000 0.972 209 D CA 0.787 54.864 54.000 0.129 0.000 0.835 209 D CB -0.196 40.678 40.800 0.124 0.000 0.966 209 D HN 0.093 nan 8.370 nan 0.000 0.476 210 D N 0.115 120.587 120.400 0.119 0.000 2.144 210 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 210 D C 2.208 178.598 176.300 0.149 0.000 0.984 210 D CA 0.447 54.522 54.000 0.126 0.000 0.834 210 D CB -0.131 40.767 40.800 0.164 0.000 0.955 210 D HN 0.257 nan 8.370 nan 0.000 0.465 211 L N 0.402 121.674 121.223 0.083 0.000 2.240 211 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 211 L C 2.373 179.386 176.870 0.237 0.000 1.106 211 L CA 0.625 55.576 54.840 0.184 0.000 0.793 211 L CB -0.143 41.964 42.059 0.080 0.000 0.927 211 L HN -0.036 nan 8.230 nan 0.000 0.446 212 E N -0.392 119.948 120.200 0.232 0.000 2.047 212 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 212 E C 2.306 179.028 176.600 0.202 0.000 0.987 212 E CA 1.019 57.558 56.400 0.232 0.000 0.799 212 E CB -0.050 29.787 29.700 0.228 0.000 0.752 212 E HN 0.390 nan 8.360 nan 0.000 0.449 213 H N 0.898 120.036 119.070 0.113 0.000 2.290 213 H HA -0.139 4.416 4.556 -0.000 0.000 0.298 213 H C 2.288 177.666 175.328 0.082 0.000 1.087 213 H CA 1.785 57.886 56.048 0.089 0.000 1.291 213 H CB -0.463 29.353 29.762 0.089 0.000 1.369 213 H HN 0.285 nan 8.280 nan 0.000 0.492 214 L N -0.154 121.284 121.223 0.358 0.000 2.043 214 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 214 L C 2.525 179.509 176.870 0.190 0.000 1.075 214 L CA 1.768 56.778 54.840 0.284 0.000 0.752 214 L CB -0.457 41.775 42.059 0.288 0.000 0.891 214 L HN 0.286 nan 8.230 nan 0.000 0.432 215 Y N -0.190 120.126 120.300 0.027 0.000 2.373 215 Y HA -0.199 4.351 4.550 -0.000 0.000 0.293 215 Y C 2.663 178.522 175.900 -0.068 0.000 1.129 215 Y CA 1.028 59.073 58.100 -0.092 0.000 1.226 215 Y CB -0.060 38.064 38.460 -0.561 0.000 1.000 215 Y HN 0.209 nan 8.280 nan 0.000 0.549 216 Q N 0.426 120.158 119.800 -0.113 0.000 2.077 216 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 216 Q C 2.087 177.953 176.000 -0.222 0.000 0.989 216 Q CA 2.209 57.909 55.803 -0.172 0.000 0.853 216 Q CB -0.382 28.253 28.738 -0.171 0.000 0.907 216 Q HN 0.671 nan 8.270 nan 0.000 0.418 217 Q N -0.061 119.635 119.800 -0.173 0.000 2.050 217 Q HA -0.082 4.257 4.340 -0.000 0.000 0.202 217 Q C 2.257 178.166 176.000 -0.153 0.000 0.980 217 Q CA 1.022 56.748 55.803 -0.127 0.000 0.840 217 Q CB -0.075 28.638 28.738 -0.041 0.000 0.898 217 Q HN 0.350 nan 8.270 nan 0.000 0.424 218 L N 0.320 121.422 121.223 -0.201 0.000 2.313 218 L HA -0.073 4.267 4.340 -0.000 0.000 0.214 218 L C 2.322 179.008 176.870 -0.307 0.000 1.119 218 L CA 0.552 55.268 54.840 -0.207 0.000 0.809 218 L CB -0.416 41.566 42.059 -0.128 0.000 0.933 218 L HN 0.290 nan 8.230 nan 0.000 0.449 219 E N 1.194 121.055 120.200 -0.564 0.000 2.147 219 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 219 E C -0.580 175.934 176.600 -0.143 0.000 1.005 219 E CA 1.693 57.812 56.400 -0.468 0.000 0.810 219 E CB -0.546 28.873 29.700 -0.469 0.000 0.736 219 E HN 0.314 nan 8.360 nan 0.000 0.460 220 P HA -0.183 nan 4.420 nan 0.000 0.215 220 P C 1.384 178.656 177.300 -0.046 0.000 1.157 220 P CA 0.905 63.956 63.100 -0.081 0.000 0.868 220 P CB -0.015 31.634 31.700 -0.085 0.000 0.788 221 L N -1.705 119.485 121.223 -0.055 0.000 1.997 221 L HA -0.243 4.096 4.340 -0.000 0.000 0.216 221 L C 2.396 179.269 176.870 0.004 0.000 1.074 221 L CA 2.239 57.050 54.840 -0.049 0.000 0.763 221 L CB -1.813 40.191 42.059 -0.091 0.000 0.890 221 L HN 0.049 nan 8.230 nan 0.000 0.434 222 Y N 0.482 120.746 120.300 -0.060 0.000 2.070 222 Y HA -0.248 4.301 4.550 -0.000 0.000 0.280 222 Y C 2.659 178.633 175.900 0.123 0.000 1.148 222 Y CA 1.514 59.626 58.100 0.019 0.000 1.125 222 Y CB -0.513 37.994 38.460 0.078 0.000 0.975 222 Y HN 0.050 nan 8.280 nan 0.000 0.492 223 L N 0.146 121.400 121.223 0.052 0.000 2.089 223 L HA -0.328 4.012 4.340 -0.000 0.000 0.213 223 L C 2.200 179.089 176.870 0.032 0.000 1.079 223 L CA 1.644 56.493 54.840 0.015 0.000 0.758 223 L CB -0.717 41.324 42.059 -0.030 0.000 0.891 223 L HN 0.358 nan 8.230 nan 0.000 0.433 224 N N -0.051 118.650 118.700 0.002 0.000 2.207 224 N HA -0.121 4.619 4.740 -0.000 0.000 0.182 224 N C 1.835 177.382 175.510 0.061 0.000 1.020 224 N CA 0.939 53.997 53.050 0.013 0.000 0.858 224 N CB -0.073 38.395 38.487 -0.032 0.000 0.991 224 N HN 0.184 nan 8.380 nan 0.000 0.427 225 L N 1.322 122.560 121.223 0.025 0.000 2.093 225 L HA -0.103 4.236 4.340 -0.000 0.000 0.208 225 L C 2.326 179.323 176.870 0.213 0.000 1.085 225 L CA 1.683 56.584 54.840 0.102 0.000 0.755 225 L CB -0.894 41.158 42.059 -0.012 0.000 0.904 225 L HN 0.281 nan 8.230 nan 0.000 0.435 226 H N -0.198 118.840 119.070 -0.054 0.000 2.293 226 H HA -0.120 4.436 4.556 -0.001 0.000 0.300 226 H C 1.905 177.325 175.328 0.153 0.000 1.082 226 H CA 1.741 57.836 56.048 0.078 0.000 1.308 226 H CB 0.123 29.781 29.762 -0.174 0.000 1.375 226 H HN 0.433 nan 8.280 nan 0.000 0.495 227 A N 0.711 123.674 122.820 0.238 0.000 1.933 227 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 227 A C 2.402 180.025 177.584 0.066 0.000 1.175 227 A CA 1.324 53.443 52.037 0.136 0.000 0.628 227 A CB -1.224 17.857 19.000 0.134 0.000 0.814 227 A HN 0.501 nan 8.150 nan 0.000 0.444 228 F N 0.753 120.695 119.950 -0.012 0.000 2.095 228 F HA -0.162 4.365 4.527 -0.001 0.000 0.298 228 F C 2.234 178.028 175.800 -0.010 0.000 1.104 228 F CA 2.002 59.989 58.000 -0.021 0.000 1.232 228 F CB -0.317 38.686 39.000 0.006 0.000 0.987 228 F HN 0.033 nan 8.300 nan 0.000 0.475 229 V N 0.784 120.700 119.914 0.003 0.000 2.379 229 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 229 V C 2.552 178.511 176.094 -0.225 0.000 1.044 229 V CA 2.008 64.240 62.300 -0.113 0.000 1.036 229 V CB -0.803 31.083 31.823 0.105 0.000 0.664 229 V HN 0.300 nan 8.190 nan 0.000 0.453 230 R N 0.591 120.948 120.500 -0.239 0.000 2.094 230 R HA -0.272 4.068 4.340 -0.000 0.000 0.239 230 R C 2.467 178.675 176.300 -0.153 0.000 1.137 230 R CA 2.284 58.246 56.100 -0.229 0.000 0.943 230 R CB -0.337 29.813 30.300 -0.249 0.000 0.850 230 R HN 0.369 nan 8.270 nan 0.000 0.433 231 R N 0.597 120.988 120.500 -0.182 0.000 2.117 231 R HA -0.107 4.233 4.340 -0.000 0.000 0.243 231 R C 1.868 178.062 176.300 -0.175 0.000 1.143 231 R CA 1.993 57.982 56.100 -0.185 0.000 0.968 231 R CB -0.704 29.461 30.300 -0.224 0.000 0.863 231 R HN 0.394 nan 8.270 nan 0.000 0.444 232 A N 0.253 122.913 122.820 -0.266 0.000 1.897 232 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 232 A C 2.262 179.751 177.584 -0.157 0.000 1.181 232 A CA 1.311 53.197 52.037 -0.251 0.000 0.620 232 A CB -0.489 18.313 19.000 -0.330 0.000 0.821 232 A HN 0.351 nan 8.150 nan 0.000 0.443 233 L N -1.101 120.053 121.223 -0.114 0.000 2.131 233 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 233 L C 2.711 179.609 176.870 0.046 0.000 1.092 233 L CA 1.451 56.284 54.840 -0.012 0.000 0.759 233 L CB -0.679 41.405 42.059 0.042 0.000 0.903 233 L HN 0.604 nan 8.230 nan 0.000 0.435 234 H N 0.834 119.862 119.070 -0.069 0.000 2.353 234 H HA -0.180 4.375 4.556 -0.000 0.000 0.300 234 H C 2.388 177.668 175.328 -0.080 0.000 1.090 234 H CA 1.794 57.806 56.048 -0.060 0.000 1.327 234 H CB 0.196 29.896 29.762 -0.104 0.000 1.383 234 H HN 0.146 nan 8.280 nan 0.000 0.508 235 R N 0.116 120.656 120.500 0.067 0.000 2.091 235 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 235 R C 2.681 178.907 176.300 -0.124 0.000 1.136 235 R CA 2.055 58.151 56.100 -0.008 0.000 0.959 235 R CB -0.075 30.192 30.300 -0.055 0.000 0.856 235 R HN 0.265 nan 8.270 nan 0.000 0.437 236 R N -1.289 119.083 120.500 -0.215 0.000 2.090 236 R HA -0.030 4.309 4.340 -0.000 0.000 0.219 236 R C 1.404 177.470 176.300 -0.391 0.000 1.100 236 R CA 1.588 57.472 56.100 -0.359 0.000 0.991 236 R CB -0.449 29.522 30.300 -0.549 0.000 0.893 236 R HN 0.307 nan 8.270 nan 0.000 0.443 237 Y N -0.057 120.197 120.300 -0.077 0.000 2.510 237 Y HA 0.376 4.925 4.550 -0.000 0.000 0.273 237 Y C 0.911 176.766 175.900 -0.075 0.000 1.119 237 Y CA 0.340 58.419 58.100 -0.036 0.000 1.286 237 Y CB 0.607 39.075 38.460 0.013 0.000 1.061 237 Y HN 0.401 nan 8.280 nan 0.000 0.542 238 G N 0.674 109.401 108.800 -0.122 0.000 2.690 238 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.686 238 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.686 238 G C -0.299 174.333 174.900 -0.446 0.000 1.277 238 G CA -0.219 44.705 45.100 -0.294 0.000 0.799 238 G HN 0.242 nan 8.290 nan 0.000 0.613 239 D N -0.494 119.595 120.400 -0.518 0.000 2.315 239 D HA -0.115 4.525 4.640 -0.000 0.000 0.211 239 D C 2.258 178.418 176.300 -0.232 0.000 0.977 239 D CA 1.755 55.554 54.000 -0.335 0.000 0.894 239 D CB 0.116 40.843 40.800 -0.121 0.000 0.910 239 D HN 0.549 nan 8.370 nan 0.000 0.490 240 R N -1.407 118.911 120.500 -0.305 0.000 2.093 240 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 240 R C 1.251 177.293 176.300 -0.431 0.000 1.101 240 R CA 1.043 56.882 56.100 -0.434 0.000 0.979 240 R CB -0.056 29.800 30.300 -0.741 0.000 0.877 240 R HN 0.321 nan 8.270 nan 0.000 0.441 241 Y N -0.738 119.507 120.300 -0.092 0.000 2.449 241 Y HA 0.323 4.873 4.550 -0.000 0.000 0.254 241 Y C 0.028 176.035 175.900 0.179 0.000 1.140 241 Y CA -0.704 57.360 58.100 -0.059 0.000 1.272 241 Y CB 1.013 39.174 38.460 -0.498 0.000 1.114 241 Y HN -0.085 nan 8.280 nan 0.000 0.525 242 I N 1.009 121.658 120.570 0.132 0.000 2.545 242 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 242 I C -0.890 175.030 176.117 -0.329 0.000 1.040 242 I CA -0.812 60.499 61.300 0.019 0.000 1.068 242 I CB 1.729 39.760 38.000 0.051 0.000 1.251 242 I HN 0.090 nan 8.210 nan 0.000 0.424 243 N N 6.400 124.637 118.700 -0.771 0.000 2.446 243 N HA 0.305 5.045 4.740 -0.000 0.000 0.265 243 N C 0.518 175.794 175.510 -0.390 0.000 0.975 243 N CA -0.384 52.136 53.050 -0.883 0.000 0.928 243 N CB 1.627 39.048 38.487 -1.776 0.000 1.160 243 N HN 0.566 nan 8.380 nan 0.000 0.495 244 L N 2.584 123.662 121.223 -0.242 0.000 2.549 244 L HA -0.020 4.320 4.340 -0.000 0.000 0.230 244 L C 1.566 178.370 176.870 -0.109 0.000 1.162 244 L CA 0.923 55.661 54.840 -0.169 0.000 0.834 244 L CB 0.023 41.945 42.059 -0.228 0.000 0.947 244 L HN 0.419 nan 8.230 nan 0.000 0.452 245 R N -1.235 119.183 120.500 -0.136 0.000 2.509 245 R HA 0.230 4.570 4.340 -0.000 0.000 0.297 245 R C 0.524 176.841 176.300 0.028 0.000 0.951 245 R CA 0.026 56.096 56.100 -0.051 0.000 1.103 245 R CB 1.095 31.345 30.300 -0.084 0.000 1.283 245 R HN 0.209 nan 8.270 nan 0.000 0.534 246 G N 0.346 109.135 108.800 -0.018 0.000 2.932 246 G HA2 0.487 4.447 3.960 -0.000 0.000 0.283 246 G HA3 0.487 4.447 3.960 -0.000 0.000 0.283 246 G C -2.723 172.361 174.900 0.307 0.000 1.336 246 G CA -1.544 43.657 45.100 0.168 0.000 1.056 246 G HN -0.177 nan 8.290 nan 0.000 0.522 247 P HA 0.327 nan 4.420 nan 0.000 0.276 247 P C -0.369 177.050 177.300 0.198 0.000 1.261 247 P CA -0.288 62.890 63.100 0.130 0.000 0.800 247 P CB 1.431 33.049 31.700 -0.138 0.000 1.066 248 I N 1.014 121.634 120.570 0.084 0.000 2.440 248 I HA 0.222 4.392 4.170 -0.000 0.000 0.294 248 I C -2.107 173.977 176.117 -0.054 0.000 0.995 248 I CA -2.759 58.552 61.300 0.018 0.000 1.306 248 I CB 0.836 38.756 38.000 -0.132 0.000 1.407 248 I HN 0.085 nan 8.210 nan 0.000 0.501 249 P HA 0.007 nan 4.420 nan 0.000 0.266 249 P C 0.330 177.454 177.300 -0.295 0.000 1.215 249 P CA 0.053 63.044 63.100 -0.181 0.000 0.763 249 P CB 0.926 32.577 31.700 -0.081 0.000 0.806 250 A N 4.005 126.618 122.820 -0.345 0.000 2.194 250 A HA -0.199 4.120 4.320 -0.000 0.000 0.220 250 A C 1.282 178.627 177.584 -0.397 0.000 1.162 250 A CA 1.476 53.319 52.037 -0.324 0.000 0.674 250 A CB -1.141 17.730 19.000 -0.215 0.000 0.789 250 A HN 0.710 nan 8.150 nan 0.000 0.470 251 H N -2.064 116.579 119.070 -0.712 0.000 2.528 251 H HA 0.420 4.976 4.556 -0.000 0.000 0.282 251 H C 0.772 175.873 175.328 -0.379 0.000 1.097 251 H CA -0.129 55.605 56.048 -0.523 0.000 1.121 251 H CB -0.671 28.711 29.762 -0.633 0.000 1.590 251 H HN 0.437 nan 8.280 nan 0.000 0.553 252 L N 0.325 121.142 121.223 -0.676 0.000 2.638 252 L HA 0.135 4.475 4.340 -0.000 0.000 0.232 252 L C 0.917 177.573 176.870 -0.357 0.000 1.099 252 L CA -0.093 54.408 54.840 -0.566 0.000 0.883 252 L CB 0.354 42.052 42.059 -0.601 0.000 1.136 252 L HN 0.109 nan 8.230 nan 0.000 0.492 253 L N 1.091 122.070 121.223 -0.406 0.000 2.682 253 L HA 0.228 4.568 4.340 -0.000 0.000 0.240 253 L C 1.408 178.167 176.870 -0.185 0.000 1.178 253 L CA 0.713 55.253 54.840 -0.501 0.000 0.970 253 L CB -1.556 39.921 42.059 -0.970 0.000 1.179 253 L HN 0.438 nan 8.230 nan 0.000 0.435 254 G N 0.794 109.534 108.800 -0.100 0.000 2.225 254 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.267 254 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.267 254 G C 0.091 175.028 174.900 0.061 0.000 1.024 254 G CA 0.754 45.855 45.100 0.001 0.000 0.784 254 G HN 0.500 nan 8.290 nan 0.000 0.507 255 D N -1.544 118.892 120.400 0.060 0.000 2.878 255 D HA 0.307 4.947 4.640 -0.000 0.000 0.211 255 D C 1.190 177.521 176.300 0.052 0.000 1.271 255 D CA -0.374 53.696 54.000 0.116 0.000 0.845 255 D CB 0.883 41.835 40.800 0.253 0.000 1.679 255 D HN -0.058 nan 8.370 nan 0.000 0.536 256 M N 3.015 122.529 119.600 -0.143 0.000 2.116 256 M HA -0.107 4.372 4.480 -0.000 0.000 0.255 256 M C 0.892 176.978 176.300 -0.358 0.000 1.075 256 M CA 1.904 56.909 55.300 -0.491 0.000 1.087 256 M CB -0.236 31.459 32.600 -1.509 0.000 1.340 256 M HN 0.574 nan 8.290 nan 0.000 0.402 257 W N -0.906 120.477 121.300 0.138 0.000 3.220 257 W HA 0.557 5.216 4.660 -0.001 0.000 0.328 257 W C 1.075 177.511 176.519 -0.138 0.000 1.205 257 W CA 0.314 57.654 57.345 -0.007 0.000 1.773 257 W CB -0.818 28.491 29.460 -0.251 0.000 1.086 257 W HN 0.459 nan 8.180 nan 0.000 0.622 258 A N 2.120 125.053 122.820 0.188 0.000 2.791 258 A HA -0.310 4.010 4.320 -0.000 0.000 0.292 258 A C 1.454 179.237 177.584 0.331 0.000 1.487 258 A CA 1.806 53.984 52.037 0.235 0.000 0.760 258 A CB -2.076 17.011 19.000 0.144 0.000 1.031 258 A HN 0.602 nan 8.150 nan 0.000 0.503 259 Q N -0.505 119.429 119.800 0.223 0.000 2.352 259 Q HA 0.330 4.670 4.340 -0.000 0.000 0.212 259 Q C 0.444 176.658 176.000 0.357 0.000 0.888 259 Q CA 0.923 56.809 55.803 0.139 0.000 0.934 259 Q CB 0.249 28.992 28.738 0.009 0.000 1.093 259 Q HN 1.679 nan 8.270 nan 0.000 0.523 260 S N -0.996 114.971 115.700 0.445 0.000 2.566 260 S HA 0.371 4.840 4.470 -0.000 0.000 0.273 260 S C -1.126 173.833 174.600 0.599 0.000 1.157 260 S CA -0.910 57.522 58.200 0.385 0.000 0.938 260 S CB 0.345 63.744 63.200 0.332 0.000 1.087 260 S HN 0.323 nan 8.310 nan 0.000 0.474 261 W N 2.435 123.849 121.300 0.191 0.000 3.132 261 W HA 0.263 4.923 4.660 -0.001 0.000 0.364 261 W C 1.697 178.307 176.519 0.152 0.000 1.129 261 W CA -0.275 57.164 57.345 0.156 0.000 1.815 261 W CB -0.490 29.064 29.460 0.156 0.000 1.099 261 W HN 0.963 nan 8.180 nan 0.000 0.605 262 E N 0.266 120.665 120.200 0.332 0.000 2.331 262 E HA -0.192 4.158 4.350 -0.000 0.000 0.199 262 E C 0.760 177.494 176.600 0.222 0.000 1.008 262 E CA 0.979 57.524 56.400 0.242 0.000 0.843 262 E CB -0.709 29.067 29.700 0.127 0.000 0.761 262 E HN 0.208 nan 8.360 nan 0.000 0.507 263 N N 0.444 119.267 118.700 0.204 0.000 2.515 263 N HA 0.074 4.814 4.740 -0.000 0.000 0.191 263 N C 0.644 176.238 175.510 0.140 0.000 1.182 263 N CA 0.291 53.430 53.050 0.149 0.000 0.879 263 N CB 0.399 38.957 38.487 0.118 0.000 0.984 263 N HN 0.291 nan 8.380 nan 0.000 0.453 264 I N -0.048 120.631 120.570 0.182 0.000 3.817 264 I HA -0.021 4.149 4.170 -0.000 0.000 0.322 264 I C 0.770 176.976 176.117 0.148 0.000 1.512 264 I CA -0.199 61.175 61.300 0.123 0.000 1.066 264 I CB 0.140 38.185 38.000 0.075 0.000 1.336 264 I HN -0.061 nan 8.210 nan 0.000 0.539 265 Y N 2.946 123.296 120.300 0.084 0.000 2.128 265 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 265 Y C 2.174 178.108 175.900 0.056 0.000 1.154 265 Y CA 2.371 60.522 58.100 0.086 0.000 1.149 265 Y CB -0.055 38.453 38.460 0.079 0.000 0.976 265 Y HN 0.450 nan 8.280 nan 0.000 0.505 266 D N -0.547 119.851 120.400 -0.003 0.000 2.403 266 D HA -0.197 4.443 4.640 -0.000 0.000 0.227 266 D C 1.310 177.532 176.300 -0.129 0.000 0.995 266 D CA 1.157 55.101 54.000 -0.093 0.000 0.928 266 D CB -0.436 40.372 40.800 0.014 0.000 0.887 266 D HN 0.521 nan 8.370 nan 0.000 0.529 267 M N -0.101 119.422 119.600 -0.128 0.000 2.304 267 M HA 0.056 4.536 4.480 -0.000 0.000 0.281 267 M C 1.569 177.774 176.300 -0.160 0.000 1.014 267 M CA 0.062 55.280 55.300 -0.137 0.000 1.054 267 M CB 1.540 34.064 32.600 -0.126 0.000 1.551 267 M HN 0.029 nan 8.290 nan 0.000 0.548 268 V N -4.141 115.676 119.914 -0.161 0.000 3.539 268 V HA 0.249 4.369 4.120 -0.000 0.000 0.262 268 V C 0.872 176.920 176.094 -0.077 0.000 1.381 268 V CA -0.368 61.867 62.300 -0.109 0.000 1.060 268 V CB 0.087 31.929 31.823 0.032 0.000 0.842 268 V HN 0.086 nan 8.190 nan 0.000 0.445 269 V N 4.310 124.005 119.914 -0.365 0.000 2.703 269 V HA 0.018 4.138 4.120 -0.000 0.000 0.300 269 V C -0.332 175.636 176.094 -0.210 0.000 1.063 269 V CA 0.335 62.347 62.300 -0.480 0.000 1.240 269 V CB 1.020 32.347 31.823 -0.827 0.000 0.845 269 V HN 0.362 nan 8.190 nan 0.000 0.476 270 P HA -0.122 nan 4.420 nan 0.000 0.213 270 P C -0.042 176.894 177.300 -0.606 0.000 1.176 270 P CA 1.645 64.460 63.100 -0.475 0.000 0.919 270 P CB 0.082 31.085 31.700 -1.161 0.000 0.791 271 F N -2.503 117.426 119.950 -0.036 0.000 2.307 271 F HA 0.331 4.858 4.527 -0.001 0.000 0.369 271 F C -1.651 174.145 175.800 -0.005 0.000 1.076 271 F CA -2.313 55.681 58.000 -0.010 0.000 1.149 271 F CB 1.007 39.989 39.000 -0.031 0.000 1.410 271 F HN -0.030 nan 8.300 nan 0.000 0.481 272 P HA -0.179 nan 4.420 nan 0.000 0.218 272 P C 1.240 178.592 177.300 0.086 0.000 1.148 272 P CA 1.258 64.394 63.100 0.059 0.000 0.822 272 P CB 0.310 32.025 31.700 0.025 0.000 0.784 273 D N -0.086 120.379 120.400 0.108 0.000 2.177 273 D HA -0.166 4.474 4.640 -0.000 0.000 0.189 273 D C 0.536 176.880 176.300 0.074 0.000 1.002 273 D CA 1.257 55.306 54.000 0.081 0.000 0.845 273 D CB -0.361 40.485 40.800 0.076 0.000 0.960 273 D HN 0.074 nan 8.370 nan 0.000 0.447 274 K N 1.527 121.982 120.400 0.093 0.000 2.448 274 K HA 0.099 4.419 4.320 -0.000 0.000 0.278 274 K C -1.988 174.670 176.600 0.097 0.000 1.009 274 K CA -0.934 55.402 56.287 0.083 0.000 0.995 274 K CB 0.559 33.114 32.500 0.092 0.000 0.917 274 K HN 0.290 nan 8.250 nan 0.000 0.481 275 P HA 0.042 nan 4.420 nan 0.000 0.323 275 P C -0.346 177.019 177.300 0.109 0.000 1.309 275 P CA -0.440 62.712 63.100 0.086 0.000 0.739 275 P CB 0.164 31.901 31.700 0.060 0.000 1.454 276 N N -1.897 116.860 118.700 0.096 0.000 2.524 276 N HA 0.484 5.224 4.740 -0.000 0.000 0.283 276 N C 0.497 176.054 175.510 0.078 0.000 1.142 276 N CA -0.011 53.110 53.050 0.118 0.000 0.984 276 N CB -0.138 38.402 38.487 0.087 0.000 1.155 276 N HN 0.533 nan 8.380 nan 0.000 0.467 277 L N -1.409 119.842 121.223 0.047 0.000 3.110 277 L HA 0.674 5.013 4.340 -0.000 0.000 0.266 277 L C 0.727 177.523 176.870 -0.123 0.000 1.257 277 L CA 0.569 55.389 54.840 -0.034 0.000 1.038 277 L CB -1.338 40.703 42.059 -0.030 0.000 1.395 277 L HN 1.013 nan 8.230 nan 0.000 0.566 278 D N -0.835 119.517 120.400 -0.081 0.000 2.464 278 D HA 0.496 5.135 4.640 -0.000 0.000 0.243 278 D C 0.696 176.962 176.300 -0.056 0.000 1.104 278 D CA 0.287 54.238 54.000 -0.082 0.000 0.883 278 D CB 1.287 42.063 40.800 -0.040 0.000 1.050 278 D HN 0.133 nan 8.370 nan 0.000 0.524 279 V N 1.889 121.754 119.914 -0.082 0.000 3.444 279 V HA -0.092 4.028 4.120 -0.000 0.000 0.271 279 V C 2.650 178.660 176.094 -0.139 0.000 1.188 279 V CA 1.579 63.815 62.300 -0.106 0.000 1.168 279 V CB -0.987 30.750 31.823 -0.144 0.000 0.810 279 V HN 0.782 nan 8.190 nan 0.000 0.500 280 T N 1.366 115.857 114.554 -0.106 0.000 2.565 280 T HA -0.305 4.045 4.350 -0.000 0.000 0.265 280 T C 2.138 176.785 174.700 -0.089 0.000 1.082 280 T CA 2.412 64.454 62.100 -0.097 0.000 1.173 280 T CB -0.488 68.353 68.868 -0.046 0.000 0.864 280 T HN 0.773 nan 8.240 nan 0.000 0.425 281 S N 0.917 116.587 115.700 -0.049 0.000 2.419 281 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 281 S C 2.076 176.651 174.600 -0.042 0.000 1.019 281 S CA 1.573 59.755 58.200 -0.029 0.000 0.982 281 S CB -1.026 62.170 63.200 -0.006 0.000 0.789 281 S HN 0.508 nan 8.310 nan 0.000 0.490 282 T N 2.257 116.767 114.554 -0.073 0.000 2.915 282 T HA 0.132 4.482 4.350 -0.000 0.000 0.269 282 T C 1.720 176.340 174.700 -0.133 0.000 1.071 282 T CA 1.368 63.422 62.100 -0.077 0.000 1.132 282 T CB -0.344 68.471 68.868 -0.088 0.000 0.878 282 T HN 0.430 nan 8.240 nan 0.000 0.479 283 M N 0.424 119.871 119.600 -0.255 0.000 2.081 283 M HA 0.085 4.565 4.480 -0.000 0.000 0.261 283 M C 2.227 178.503 176.300 -0.041 0.000 1.075 283 M CA 1.501 56.536 55.300 -0.443 0.000 1.133 283 M CB -0.599 31.664 32.600 -0.561 0.000 1.330 283 M HN 0.133 nan 8.290 nan 0.000 0.414 284 L N -0.034 121.190 121.223 0.002 0.000 2.081 284 L HA -0.264 4.075 4.340 -0.000 0.000 0.212 284 L C 2.297 179.221 176.870 0.091 0.000 1.080 284 L CA 1.393 56.279 54.840 0.076 0.000 0.754 284 L CB -0.694 41.392 42.059 0.045 0.000 0.893 284 L HN 0.428 nan 8.230 nan 0.000 0.433 285 Q N -0.069 119.768 119.800 0.061 0.000 2.541 285 Q HA -0.154 4.186 4.340 -0.000 0.000 0.215 285 Q C 0.598 176.656 176.000 0.097 0.000 0.977 285 Q CA 0.699 56.541 55.803 0.065 0.000 0.934 285 Q CB 0.209 28.972 28.738 0.041 0.000 0.988 285 Q HN 0.611 nan 8.270 nan 0.000 0.521 286 Q N -2.483 117.415 119.800 0.164 0.000 2.088 286 Q HA 0.270 4.609 4.340 -0.000 0.000 0.270 286 Q C 0.190 176.315 176.000 0.208 0.000 0.854 286 Q CA -0.033 55.883 55.803 0.189 0.000 1.104 286 Q CB 0.557 29.441 28.738 0.243 0.000 1.251 286 Q HN 0.156 nan 8.270 nan 0.000 0.436 287 G N 1.347 110.254 108.800 0.177 0.000 2.395 287 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.300 287 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.300 287 G C -0.582 174.425 174.900 0.179 0.000 0.998 287 G CA -0.178 45.008 45.100 0.144 0.000 1.046 287 G HN 0.492 nan 8.290 nan 0.000 0.513 288 W N 0.730 122.063 121.300 0.055 0.000 2.381 288 W HA 0.295 4.955 4.660 -0.000 0.000 0.321 288 W C 1.025 177.622 176.519 0.129 0.000 1.407 288 W CA -0.317 57.095 57.345 0.112 0.000 1.274 288 W CB 0.305 29.848 29.460 0.139 0.000 1.310 288 W HN 0.266 nan 8.180 nan 0.000 0.551 289 N N 2.109 120.934 118.700 0.209 0.000 2.525 289 N HA 0.188 4.928 4.740 -0.000 0.000 0.271 289 N C 0.933 176.615 175.510 0.286 0.000 1.194 289 N CA 0.192 53.365 53.050 0.204 0.000 0.964 289 N CB 1.269 39.842 38.487 0.144 0.000 1.126 289 N HN 0.569 nan 8.380 nan 0.000 0.452 290 A N 1.877 124.853 122.820 0.260 0.000 1.972 290 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 290 A C 1.844 179.693 177.584 0.441 0.000 1.169 290 A CA 1.547 53.780 52.037 0.327 0.000 0.635 290 A CB -0.364 18.791 19.000 0.258 0.000 0.810 290 A HN 0.743 nan 8.150 nan 0.000 0.446 291 T N -2.017 112.743 114.554 0.343 0.000 3.009 291 T HA -0.009 4.341 4.350 -0.000 0.000 0.258 291 T C 1.823 176.771 174.700 0.414 0.000 1.063 291 T CA 1.283 63.623 62.100 0.400 0.000 1.139 291 T CB -0.326 68.712 68.868 0.283 0.000 0.890 291 T HN 0.702 nan 8.240 nan 0.000 0.471 292 H N 1.384 120.541 119.070 0.145 0.000 2.387 292 H HA 0.143 4.699 4.556 -0.000 0.000 0.299 292 H C 2.078 177.403 175.328 -0.005 0.000 1.090 292 H CA 1.355 57.382 56.048 -0.036 0.000 1.332 292 H CB -0.355 29.233 29.762 -0.289 0.000 1.386 292 H HN 0.235 nan 8.280 nan 0.000 0.516 293 M N -1.081 118.609 119.600 0.150 0.000 2.065 293 M HA -0.154 4.326 4.480 -0.000 0.000 0.259 293 M C 1.655 178.016 176.300 0.102 0.000 1.069 293 M CA 1.681 57.091 55.300 0.184 0.000 1.110 293 M CB -0.355 32.403 32.600 0.263 0.000 1.328 293 M HN 0.221 nan 8.290 nan 0.000 0.405 294 F N -0.187 119.876 119.950 0.188 0.000 2.365 294 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 294 F C 2.403 178.384 175.800 0.302 0.000 1.090 294 F CA 1.062 59.189 58.000 0.211 0.000 1.408 294 F CB -0.320 38.810 39.000 0.215 0.000 1.060 294 F HN 0.035 nan 8.300 nan 0.000 0.534 295 R N -0.542 120.218 120.500 0.433 0.000 2.276 295 R HA 0.069 4.409 4.340 -0.000 0.000 0.196 295 R C 1.913 178.261 176.300 0.081 0.000 0.961 295 R CA 0.422 56.697 56.100 0.292 0.000 1.024 295 R CB -0.140 30.236 30.300 0.127 0.000 0.940 295 R HN 0.232 nan 8.270 nan 0.000 0.480 296 V N 0.352 120.260 119.914 -0.009 0.000 2.599 296 V HA -0.051 4.068 4.120 -0.000 0.000 0.245 296 V C 2.364 178.540 176.094 0.137 0.000 1.046 296 V CA 1.607 63.917 62.300 0.016 0.000 1.065 296 V CB -0.183 31.665 31.823 0.041 0.000 0.703 296 V HN 0.239 nan 8.190 nan 0.000 0.464 297 A N 0.016 122.852 122.820 0.027 0.000 1.898 297 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 297 A C 2.227 179.938 177.584 0.210 0.000 1.181 297 A CA 1.959 53.892 52.037 -0.172 0.000 0.620 297 A CB -0.456 18.284 19.000 -0.433 0.000 0.819 297 A HN 0.620 nan 8.150 nan 0.000 0.442 298 E N 0.161 120.493 120.200 0.220 0.000 2.038 298 E HA -0.274 4.075 4.350 -0.000 0.000 0.195 298 E C 2.014 178.790 176.600 0.294 0.000 1.000 298 E CA 1.449 58.001 56.400 0.254 0.000 0.803 298 E CB -0.297 29.578 29.700 0.293 0.000 0.750 298 E HN 0.708 nan 8.360 nan 0.000 0.448 299 E N 0.224 120.571 120.200 0.245 0.000 2.045 299 E HA -0.300 4.049 4.350 -0.000 0.000 0.212 299 E C 2.002 178.796 176.600 0.323 0.000 1.039 299 E CA 1.802 58.343 56.400 0.235 0.000 0.860 299 E CB -0.663 29.160 29.700 0.205 0.000 0.776 299 E HN 0.413 nan 8.360 nan 0.000 0.467 300 F N 0.194 120.285 119.950 0.235 0.000 2.063 300 F HA -0.295 4.232 4.527 -0.001 0.000 0.298 300 F C 2.300 178.194 175.800 0.157 0.000 1.105 300 F CA 2.361 60.498 58.000 0.227 0.000 1.215 300 F CB -0.527 38.516 39.000 0.073 0.000 0.972 300 F HN 0.084 nan 8.300 nan 0.000 0.483 301 F N 0.388 120.556 119.950 0.364 0.000 2.154 301 F HA -0.293 4.233 4.527 -0.000 0.000 0.301 301 F C 2.720 178.569 175.800 0.082 0.000 1.087 301 F CA 1.985 60.099 58.000 0.189 0.000 1.274 301 F CB -1.106 37.930 39.000 0.060 0.000 1.009 301 F HN 0.111 nan 8.300 nan 0.000 0.485 302 T N -3.996 110.711 114.554 0.255 0.000 2.857 302 T HA -0.124 4.225 4.350 -0.000 0.000 0.266 302 T C 2.040 176.763 174.700 0.038 0.000 1.048 302 T CA 1.238 63.411 62.100 0.121 0.000 1.139 302 T CB -0.741 68.185 68.868 0.096 0.000 0.874 302 T HN 0.128 nan 8.240 nan 0.000 0.455 303 S N 1.931 117.633 115.700 0.004 0.000 2.440 303 S HA 0.103 4.572 4.470 -0.000 0.000 0.238 303 S C 1.613 176.124 174.600 -0.149 0.000 1.010 303 S CA 0.791 58.908 58.200 -0.138 0.000 0.972 303 S CB -0.529 62.498 63.200 -0.290 0.000 0.774 303 S HN 0.475 nan 8.310 nan 0.000 0.501 304 L N 0.797 121.974 121.223 -0.077 0.000 2.611 304 L HA 0.227 4.567 4.340 -0.000 0.000 0.229 304 L C 0.181 177.034 176.870 -0.029 0.000 1.137 304 L CA 0.078 54.883 54.840 -0.059 0.000 0.901 304 L CB -0.462 41.586 42.059 -0.019 0.000 1.098 304 L HN 0.190 nan 8.230 nan 0.000 0.456 305 E N 0.992 121.179 120.200 -0.021 0.000 2.271 305 E HA -0.191 4.159 4.350 -0.000 0.000 0.223 305 E C -0.594 176.009 176.600 0.004 0.000 1.223 305 E CA 0.166 56.559 56.400 -0.012 0.000 0.704 305 E CB -1.131 28.552 29.700 -0.029 0.000 1.194 305 E HN 0.411 nan 8.360 nan 0.000 0.375 306 L N 0.397 121.642 121.223 0.036 0.000 2.333 306 L HA 0.421 4.761 4.340 -0.000 0.000 0.269 306 L C 0.903 177.787 176.870 0.022 0.000 1.010 306 L CA -0.850 54.013 54.840 0.038 0.000 0.818 306 L CB 1.766 43.895 42.059 0.116 0.000 1.306 306 L HN 0.146 nan 8.230 nan 0.000 0.430 307 S N 1.447 117.133 115.700 -0.024 0.000 2.579 307 S HA 0.339 4.809 4.470 -0.000 0.000 0.275 307 S C -2.317 172.247 174.600 -0.059 0.000 1.345 307 S CA -0.901 57.274 58.200 -0.041 0.000 1.031 307 S CB 0.342 63.501 63.200 -0.069 0.000 0.892 307 S HN 0.394 nan 8.310 nan 0.000 0.529 308 P HA 0.287 nan 4.420 nan 0.000 0.281 308 P C -0.621 176.641 177.300 -0.064 0.000 1.281 308 P CA -0.857 62.233 63.100 -0.017 0.000 0.811 308 P CB 0.510 32.239 31.700 0.048 0.000 1.154 309 M N 0.567 120.151 119.600 -0.026 0.000 2.251 309 M HA 0.254 4.734 4.480 -0.000 0.000 0.346 309 M C -2.083 174.356 176.300 0.231 0.000 1.499 309 M CA -1.861 53.366 55.300 -0.122 0.000 1.128 309 M CB -0.862 31.513 32.600 -0.376 0.000 1.809 309 M HN 0.144 nan 8.290 nan 0.000 0.464 310 P HA 0.049 nan 4.420 nan 0.000 0.269 310 P C -1.883 175.667 177.300 0.417 0.000 1.211 310 P CA -0.694 62.557 63.100 0.252 0.000 0.781 310 P CB -0.035 31.804 31.700 0.232 0.000 0.877 311 P HA -0.188 nan 4.420 nan 0.000 0.217 311 P C 1.228 178.673 177.300 0.242 0.000 1.150 311 P CA 1.477 64.757 63.100 0.301 0.000 0.832 311 P CB -0.251 31.539 31.700 0.150 0.000 0.787 312 E N -0.938 119.357 120.200 0.158 0.000 2.160 312 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 312 E C 1.960 178.574 176.600 0.023 0.000 0.991 312 E CA 1.037 57.463 56.400 0.043 0.000 0.810 312 E CB -1.249 28.448 29.700 -0.006 0.000 0.742 312 E HN 0.311 nan 8.360 nan 0.000 0.466 313 F N 0.961 120.902 119.950 -0.015 0.000 2.075 313 F HA -0.148 4.379 4.527 -0.000 0.000 0.297 313 F C 1.782 177.409 175.800 -0.288 0.000 1.113 313 F CA 1.465 59.368 58.000 -0.161 0.000 1.218 313 F CB -0.454 38.415 39.000 -0.218 0.000 0.984 313 F HN -0.085 nan 8.300 nan 0.000 0.472 314 W N 0.776 122.027 121.300 -0.082 0.000 2.425 314 W HA 0.045 4.705 4.660 -0.001 0.000 0.277 314 W C 2.705 179.103 176.519 -0.201 0.000 1.231 314 W CA 1.785 59.013 57.345 -0.194 0.000 1.248 314 W CB -1.189 28.273 29.460 0.002 0.000 1.117 314 W HN 0.186 nan 8.180 nan 0.000 0.568 315 E N 0.283 120.495 120.200 0.020 0.000 2.046 315 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 315 E C 2.204 178.717 176.600 -0.146 0.000 0.982 315 E CA 1.521 57.896 56.400 -0.042 0.000 0.800 315 E CB -1.306 28.372 29.700 -0.037 0.000 0.756 315 E HN 0.311 nan 8.360 nan 0.000 0.449 316 G N -0.385 108.257 108.800 -0.263 0.000 2.608 316 G HA2 0.158 4.118 3.960 -0.000 0.000 0.210 316 G HA3 0.158 4.118 3.960 -0.000 0.000 0.210 316 G C 1.193 175.885 174.900 -0.346 0.000 1.139 316 G CA 0.804 45.690 45.100 -0.358 0.000 0.812 316 G HN 0.479 nan 8.290 nan 0.000 0.529 317 S N 0.497 115.923 115.700 -0.457 0.000 2.558 317 S HA 0.141 4.611 4.470 -0.000 0.000 0.293 317 S C 0.377 174.880 174.600 -0.162 0.000 1.292 317 S CA -0.219 57.755 58.200 -0.377 0.000 1.063 317 S CB 0.144 62.756 63.200 -0.981 0.000 0.831 317 S HN 0.282 nan 8.310 nan 0.000 0.499 318 M N 7.263 126.903 119.600 0.066 0.000 2.206 318 M HA 0.283 4.763 4.480 -0.000 0.000 0.353 318 M C -0.461 175.781 176.300 -0.096 0.000 1.242 318 M CA -0.329 54.971 55.300 0.001 0.000 1.179 318 M CB -0.121 32.481 32.600 0.004 0.000 1.374 318 M HN 0.698 nan 8.290 nan 0.000 0.427 319 L N 2.573 123.679 121.223 -0.195 0.000 2.592 319 L HA 0.343 4.682 4.340 -0.000 0.000 0.227 319 L C 0.122 176.993 176.870 0.003 0.000 1.127 319 L CA 0.212 54.903 54.840 -0.248 0.000 0.884 319 L CB -0.153 41.561 42.059 -0.575 0.000 1.065 319 L HN 0.679 nan 8.230 nan 0.000 0.457 320 E N -0.250 119.960 120.200 0.018 0.000 2.433 320 E HA 0.297 4.647 4.350 -0.000 0.000 0.278 320 E C -1.023 175.601 176.600 0.040 0.000 0.976 320 E CA -0.848 55.588 56.400 0.060 0.000 0.793 320 E CB 2.402 32.135 29.700 0.055 0.000 1.311 320 E HN -0.102 nan 8.360 nan 0.000 0.460 321 K N 2.184 122.612 120.400 0.048 0.000 2.297 321 K HA 0.306 4.626 4.320 -0.000 0.000 0.286 321 K C -2.342 174.272 176.600 0.025 0.000 1.053 321 K CA -1.531 54.776 56.287 0.033 0.000 0.940 321 K CB 0.498 33.022 32.500 0.040 0.000 1.019 321 K HN 0.161 nan 8.250 nan 0.000 0.475 322 P HA -0.143 nan 4.420 nan 0.000 0.264 322 P C -0.483 176.828 177.300 0.018 0.000 1.173 322 P CA 0.175 63.281 63.100 0.010 0.000 0.761 322 P CB 0.816 32.516 31.700 -0.001 0.000 0.794 323 A N 2.992 125.824 122.820 0.019 0.000 1.903 323 A HA -0.103 4.216 4.320 -0.000 0.000 0.213 323 A C 1.575 179.171 177.584 0.020 0.000 1.185 323 A CA 1.332 53.383 52.037 0.023 0.000 0.628 323 A CB -1.062 17.952 19.000 0.023 0.000 0.830 323 A HN 0.653 nan 8.150 nan 0.000 0.446 324 D N -1.101 119.310 120.400 0.017 0.000 2.384 324 D HA 0.204 4.844 4.640 -0.000 0.000 0.222 324 D C 1.147 177.457 176.300 0.016 0.000 0.976 324 D CA 0.935 54.944 54.000 0.016 0.000 0.915 324 D CB -0.706 40.102 40.800 0.013 0.000 0.896 324 D HN 0.792 nan 8.370 nan 0.000 0.523 325 G N 1.025 109.835 108.800 0.017 0.000 2.246 325 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.273 325 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.273 325 G C -0.047 174.861 174.900 0.013 0.000 1.055 325 G CA 0.028 45.139 45.100 0.018 0.000 0.851 325 G HN 0.732 nan 8.290 nan 0.000 0.500 326 R N 0.383 120.886 120.500 0.005 0.000 2.242 326 R HA 0.466 4.805 4.340 -0.000 0.000 0.334 326 R C 0.122 176.416 176.300 -0.010 0.000 1.071 326 R CA -0.759 55.340 56.100 -0.001 0.000 0.922 326 R CB 1.120 31.416 30.300 -0.008 0.000 1.023 326 R HN 0.291 nan 8.270 nan 0.000 0.458 327 E N 2.120 122.317 120.200 -0.004 0.000 2.696 327 E HA -0.066 4.284 4.350 -0.000 0.000 0.270 327 E C 0.382 176.959 176.600 -0.038 0.000 0.958 327 E CA 0.769 57.165 56.400 -0.007 0.000 0.964 327 E CB 0.578 30.279 29.700 0.001 0.000 0.948 327 E HN 0.562 nan 8.360 nan 0.000 0.472 328 V N -1.742 118.154 119.914 -0.030 0.000 3.216 328 V HA 0.349 4.469 4.120 -0.000 0.000 0.302 328 V C -0.414 175.677 176.094 -0.004 0.000 1.286 328 V CA -1.217 61.045 62.300 -0.062 0.000 1.048 328 V CB 1.905 33.682 31.823 -0.077 0.000 1.081 328 V HN 0.271 nan 8.190 nan 0.000 0.442 329 V N 1.461 121.375 119.914 0.000 0.000 2.356 329 V HA 0.116 4.236 4.120 -0.000 0.000 0.258 329 V C 1.216 177.384 176.094 0.124 0.000 1.065 329 V CA 0.296 62.673 62.300 0.130 0.000 0.935 329 V CB 0.164 32.097 31.823 0.185 0.000 1.061 329 V HN 1.134 nan 8.190 nan 0.000 0.484 330 c N 3.840 122.522 118.600 0.138 0.000 2.481 330 c HA -0.018 4.552 4.570 -0.000 0.000 0.275 330 c C 1.481 175.632 174.090 0.100 0.000 1.419 330 c CA -0.087 56.302 56.329 0.101 0.000 1.773 330 c CB -1.274 41.288 42.510 0.087 0.000 1.862 330 c HN 0.805 nan 8.230 nan 0.000 0.530 331 H N 0.987 120.047 119.070 -0.017 0.000 3.034 331 H HA 0.207 4.762 4.556 -0.000 0.000 0.324 331 H C 0.534 175.799 175.328 -0.105 0.000 1.015 331 H CA 0.569 56.492 56.048 -0.210 0.000 1.429 331 H CB 0.619 29.896 29.762 -0.807 0.000 1.429 331 H HN 0.402 nan 8.280 nan 0.000 0.585 332 A N 4.566 127.191 122.820 -0.326 0.000 2.520 332 A HA 0.262 4.582 4.320 -0.000 0.000 0.245 332 A C -0.208 177.407 177.584 0.052 0.000 1.072 332 A CA 0.165 52.166 52.037 -0.060 0.000 0.761 332 A CB 0.201 19.175 19.000 -0.043 0.000 1.004 332 A HN 0.670 nan 8.150 nan 0.000 0.499 333 S N 0.181 116.016 115.700 0.225 0.000 2.556 333 S HA 0.747 5.217 4.470 -0.000 0.000 0.271 333 S C -0.562 174.282 174.600 0.407 0.000 1.135 333 S CA -0.030 58.322 58.200 0.254 0.000 0.858 333 S CB 2.013 65.383 63.200 0.284 0.000 1.114 333 S HN 1.570 nan 8.310 nan 0.000 0.468 334 A N 1.487 124.457 122.820 0.250 0.000 2.304 334 A HA 0.734 5.054 4.320 -0.000 0.000 0.314 334 A C -1.770 176.060 177.584 0.410 0.000 1.187 334 A CA -0.606 51.694 52.037 0.440 0.000 0.810 334 A CB 0.324 19.510 19.000 0.310 0.000 1.183 334 A HN 0.677 nan 8.150 nan 0.000 0.487 335 W N 1.197 122.727 121.300 0.384 0.000 2.478 335 W HA 0.521 5.180 4.660 -0.000 0.000 0.318 335 W C -0.455 176.078 176.519 0.023 0.000 1.062 335 W CA -0.324 57.123 57.345 0.170 0.000 1.210 335 W CB 1.559 31.124 29.460 0.176 0.000 1.325 335 W HN 0.674 nan 8.180 nan 0.000 0.496 336 D N 2.295 122.577 120.400 -0.197 0.000 2.472 336 D HA 0.214 4.854 4.640 -0.000 0.000 0.234 336 D C -0.011 176.190 176.300 -0.165 0.000 1.088 336 D CA -0.614 53.124 54.000 -0.438 0.000 0.882 336 D CB 0.242 40.273 40.800 -1.283 0.000 1.037 336 D HN 0.160 nan 8.370 nan 0.000 0.520 337 F N 2.543 122.412 119.950 -0.136 0.000 2.788 337 F HA 0.047 4.573 4.527 -0.000 0.000 0.300 337 F C 0.520 176.419 175.800 0.165 0.000 1.229 337 F CA 0.109 58.114 58.000 0.008 0.000 1.446 337 F CB -0.947 38.030 39.000 -0.039 0.000 1.118 337 F HN 0.425 nan 8.300 nan 0.000 0.579 338 Y N 0.450 120.774 120.300 0.040 0.000 3.305 338 Y HA -0.336 4.214 4.550 -0.000 0.000 0.214 338 Y C 1.190 177.125 175.900 0.059 0.000 1.185 338 Y CA 0.575 58.697 58.100 0.036 0.000 1.326 338 Y CB -1.899 36.566 38.460 0.008 0.000 1.367 338 Y HN 0.409 nan 8.280 nan 0.000 0.588 339 N N -0.675 118.083 118.700 0.096 0.000 2.184 339 N HA 0.152 4.892 4.740 -0.000 0.000 0.234 339 N C 0.574 176.041 175.510 -0.071 0.000 1.282 339 N CA 0.289 53.342 53.050 0.005 0.000 0.877 339 N CB 0.303 38.753 38.487 -0.062 0.000 1.184 339 N HN 0.453 nan 8.380 nan 0.000 0.510 340 R N -1.298 119.167 120.500 -0.058 0.000 4.023 340 R HA -0.246 4.093 4.340 -0.000 0.000 0.368 340 R C 0.868 177.189 176.300 0.035 0.000 1.187 340 R CA 1.994 58.130 56.100 0.060 0.000 1.089 340 R CB -2.093 28.260 30.300 0.087 0.000 1.574 340 R HN 0.569 nan 8.270 nan 0.000 0.564 341 K N -0.000 120.278 120.400 -0.203 0.000 2.562 341 K HA 0.137 4.457 4.320 -0.000 0.000 0.218 341 K C -0.256 176.173 176.600 -0.286 0.000 1.374 341 K CA 0.461 56.676 56.287 -0.119 0.000 0.996 341 K CB 0.821 33.263 32.500 -0.095 0.000 1.127 341 K HN 0.130 nan 8.250 nan 0.000 0.603 342 D N -0.052 119.963 120.400 -0.643 0.000 2.481 342 D HA 0.612 5.252 4.640 -0.000 0.000 0.246 342 D C -1.611 174.263 176.300 -0.711 0.000 1.109 342 D CA -0.408 53.243 54.000 -0.582 0.000 0.845 342 D CB 1.091 41.524 40.800 -0.611 0.000 1.160 342 D HN 0.182 nan 8.370 nan 0.000 0.534 343 F N 1.806 121.828 119.950 0.120 0.000 2.573 343 F HA 0.497 5.024 4.527 -0.000 0.000 0.316 343 F C 0.472 176.476 175.800 0.340 0.000 1.148 343 F CA -0.871 57.303 58.000 0.290 0.000 0.940 343 F CB 1.709 40.861 39.000 0.253 0.000 1.214 343 F HN -0.061 nan 8.300 nan 0.000 0.448 344 R N 2.170 123.003 120.500 0.556 0.000 2.885 344 R HA 0.836 5.176 4.340 -0.000 0.000 0.260 344 R C -1.656 174.982 176.300 0.563 0.000 1.107 344 R CA -1.249 55.049 56.100 0.331 0.000 0.978 344 R CB 2.916 33.090 30.300 -0.209 0.000 1.227 344 R HN 0.591 nan 8.270 nan 0.000 0.473 345 I N 0.974 121.768 120.570 0.374 0.000 2.512 345 I HA 0.281 4.450 4.170 -0.000 0.000 0.287 345 I C -0.858 175.465 176.117 0.344 0.000 1.069 345 I CA -0.619 60.969 61.300 0.480 0.000 1.056 345 I CB 2.253 40.535 38.000 0.469 0.000 1.229 345 I HN 0.293 nan 8.210 nan 0.000 0.429 346 K N 6.751 127.403 120.400 0.419 0.000 2.263 346 K HA 0.473 4.792 4.320 -0.000 0.000 0.272 346 K C -0.992 175.725 176.600 0.196 0.000 1.033 346 K CA -0.323 56.072 56.287 0.181 0.000 0.884 346 K CB 1.103 33.656 32.500 0.089 0.000 1.107 346 K HN 0.631 nan 8.250 nan 0.000 0.460 347 Q N 4.552 124.435 119.800 0.139 0.000 2.443 347 Q HA 0.110 4.449 4.340 -0.000 0.000 0.241 347 Q C -1.342 174.745 176.000 0.145 0.000 0.880 347 Q CA -0.593 55.308 55.803 0.164 0.000 0.974 347 Q CB 0.907 29.814 28.738 0.282 0.000 1.482 347 Q HN 0.799 nan 8.270 nan 0.000 0.448 348 c N 3.447 122.106 118.600 0.098 0.000 3.479 348 c HA 0.121 4.691 4.570 -0.000 0.000 0.546 348 c C 0.882 175.043 174.090 0.119 0.000 1.207 348 c CA -0.049 56.334 56.329 0.090 0.000 1.334 348 c CB -2.268 40.280 42.510 0.064 0.000 1.611 348 c HN 0.555 nan 8.230 nan 0.000 0.640 349 T N 2.248 116.913 114.554 0.186 0.000 2.923 349 T HA 0.345 4.694 4.350 -0.000 0.000 0.304 349 T C 0.760 175.560 174.700 0.166 0.000 1.044 349 T CA 0.922 63.148 62.100 0.211 0.000 1.141 349 T CB 0.259 69.355 68.868 0.379 0.000 1.023 349 T HN 0.893 nan 8.240 nan 0.000 0.533 350 R N 1.409 121.987 120.500 0.131 0.000 3.328 350 R HA 0.804 5.144 4.340 -0.000 0.000 0.232 350 R C -0.620 175.756 176.300 0.127 0.000 1.606 350 R CA -0.548 55.623 56.100 0.118 0.000 1.025 350 R CB 0.325 30.674 30.300 0.081 0.000 1.701 350 R HN 0.502 nan 8.270 nan 0.000 0.526 351 V N 2.069 122.047 119.914 0.108 0.000 2.239 351 V HA 0.528 4.648 4.120 -0.000 0.000 0.267 351 V C -0.780 175.345 176.094 0.052 0.000 1.056 351 V CA -0.268 62.099 62.300 0.111 0.000 0.830 351 V CB 0.194 32.096 31.823 0.131 0.000 1.090 351 V HN 0.887 nan 8.190 nan 0.000 0.459 352 T N 2.614 117.187 114.554 0.032 0.000 2.868 352 T HA 0.332 4.681 4.350 -0.000 0.000 0.306 352 T C 0.689 175.369 174.700 -0.033 0.000 1.224 352 T CA -0.570 61.527 62.100 -0.004 0.000 1.012 352 T CB 2.414 71.289 68.868 0.012 0.000 1.221 352 T HN 0.387 nan 8.240 nan 0.000 0.499 353 M N 0.874 120.439 119.600 -0.058 0.000 2.132 353 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 353 M C 1.552 177.821 176.300 -0.052 0.000 1.065 353 M CA 1.780 57.031 55.300 -0.081 0.000 1.122 353 M CB -0.108 32.437 32.600 -0.092 0.000 1.365 353 M HN 0.607 nan 8.290 nan 0.000 0.411 354 D N 0.038 120.422 120.400 -0.028 0.000 2.133 354 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 354 D C 2.055 178.351 176.300 -0.007 0.000 0.997 354 D CA 1.272 55.265 54.000 -0.012 0.000 0.840 354 D CB -0.196 40.615 40.800 0.017 0.000 0.947 354 D HN 0.438 nan 8.370 nan 0.000 0.452 355 Q N 0.125 119.927 119.800 0.004 0.000 2.002 355 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 355 Q C 2.394 178.394 176.000 -0.000 0.000 0.988 355 Q CA 0.602 56.413 55.803 0.013 0.000 0.843 355 Q CB -0.817 27.942 28.738 0.035 0.000 0.908 355 Q HN 0.302 nan 8.270 nan 0.000 0.420 356 L N 1.306 122.534 121.223 0.008 0.000 2.089 356 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 356 L C 2.299 179.229 176.870 0.100 0.000 1.079 356 L CA 2.613 57.480 54.840 0.046 0.000 0.758 356 L CB -1.028 41.062 42.059 0.052 0.000 0.891 356 L HN 0.292 nan 8.230 nan 0.000 0.433 357 S N -3.109 112.596 115.700 0.010 0.000 2.428 357 S HA -0.139 4.331 4.470 -0.000 0.000 0.230 357 S C 1.809 176.437 174.600 0.047 0.000 1.014 357 S CA 1.281 59.464 58.200 -0.029 0.000 0.957 357 S CB -1.001 62.130 63.200 -0.115 0.000 0.784 357 S HN 0.532 nan 8.310 nan 0.000 0.499 358 T N 1.877 116.454 114.554 0.038 0.000 2.951 358 T HA 0.104 4.454 4.350 -0.000 0.000 0.268 358 T C 1.737 176.486 174.700 0.083 0.000 1.073 358 T CA 1.007 63.153 62.100 0.077 0.000 1.134 358 T CB -0.297 68.595 68.868 0.039 0.000 0.884 358 T HN 0.293 nan 8.240 nan 0.000 0.479 359 V N 0.723 120.619 119.914 -0.031 0.000 2.548 359 V HA -0.131 3.989 4.120 -0.000 0.000 0.249 359 V C 2.135 178.166 176.094 -0.105 0.000 1.055 359 V CA 1.622 63.783 62.300 -0.232 0.000 1.065 359 V CB -0.537 30.944 31.823 -0.569 0.000 0.681 359 V HN 0.514 nan 8.190 nan 0.000 0.462 360 H N -0.988 118.052 119.070 -0.049 0.000 2.333 360 H HA -0.108 4.448 4.556 -0.000 0.000 0.302 360 H C 2.310 177.656 175.328 0.029 0.000 1.075 360 H CA 1.920 57.967 56.048 -0.003 0.000 1.348 360 H CB -0.255 29.426 29.762 -0.135 0.000 1.393 360 H HN 0.600 nan 8.280 nan 0.000 0.509 361 H N 0.793 119.901 119.070 0.064 0.000 2.319 361 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 361 H C 1.844 177.197 175.328 0.042 0.000 1.092 361 H CA 1.831 57.882 56.048 0.005 0.000 1.302 361 H CB 0.222 29.992 29.762 0.013 0.000 1.373 361 H HN 0.217 nan 8.280 nan 0.000 0.497 362 E N 0.216 120.433 120.200 0.029 0.000 2.047 362 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 362 E C 2.447 179.079 176.600 0.054 0.000 0.987 362 E CA 1.212 57.683 56.400 0.118 0.000 0.799 362 E CB -0.466 29.393 29.700 0.265 0.000 0.752 362 E HN 0.581 nan 8.360 nan 0.000 0.449 363 M N 0.284 119.884 119.600 0.000 0.000 2.213 363 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 363 M C 2.016 178.124 176.300 -0.320 0.000 1.062 363 M CA 1.705 56.893 55.300 -0.187 0.000 1.105 363 M CB -0.204 32.246 32.600 -0.249 0.000 1.385 363 M HN 0.126 nan 8.290 nan 0.000 0.417 364 G N -0.734 108.016 108.800 -0.084 0.000 2.442 364 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 364 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 364 G C 1.244 176.009 174.900 -0.225 0.000 1.141 364 G CA 0.890 45.980 45.100 -0.016 0.000 0.763 364 G HN 0.489 nan 8.290 nan 0.000 0.554 365 H N 0.464 119.396 119.070 -0.229 0.000 2.293 365 H HA -0.040 4.515 4.556 -0.000 0.000 0.300 365 H C 2.789 177.711 175.328 -0.677 0.000 1.082 365 H CA 1.156 57.006 56.048 -0.330 0.000 1.308 365 H CB -0.176 29.425 29.762 -0.267 0.000 1.375 365 H HN 0.169 nan 8.280 nan 0.000 0.495 366 I N 0.995 121.378 120.570 -0.311 0.000 2.069 366 I HA -0.289 3.881 4.170 -0.000 0.000 0.237 366 I C 2.646 178.517 176.117 -0.411 0.000 1.053 366 I CA 1.280 62.424 61.300 -0.259 0.000 1.311 366 I CB -1.331 36.498 38.000 -0.285 0.000 1.030 366 I HN 0.203 nan 8.210 nan 0.000 0.398 367 Q N 0.350 119.850 119.800 -0.500 0.000 2.197 367 Q HA -0.279 4.061 4.340 -0.000 0.000 0.211 367 Q C 2.264 178.064 176.000 -0.334 0.000 0.993 367 Q CA 1.956 57.487 55.803 -0.454 0.000 0.883 367 Q CB -0.852 27.613 28.738 -0.455 0.000 0.916 367 Q HN 0.632 nan 8.270 nan 0.000 0.418 368 Y N -1.302 118.692 120.300 -0.510 0.000 2.242 368 Y HA -0.263 4.287 4.550 -0.000 0.000 0.291 368 Y C 1.620 176.950 175.900 -0.949 0.000 1.137 368 Y CA 1.006 58.725 58.100 -0.636 0.000 1.181 368 Y CB 0.019 38.052 38.460 -0.713 0.000 0.989 368 Y HN 0.259 nan 8.280 nan 0.000 0.527 369 Y N -0.371 119.642 120.300 -0.479 0.000 2.163 369 Y HA -0.288 4.261 4.550 -0.000 0.000 0.288 369 Y C 2.303 177.928 175.900 -0.458 0.000 1.136 369 Y CA 0.715 58.519 58.100 -0.493 0.000 1.147 369 Y CB -0.284 38.166 38.460 -0.017 0.000 0.987 369 Y HN 0.058 nan 8.280 nan 0.000 0.509 370 L N -0.240 120.725 121.223 -0.429 0.000 2.131 370 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 370 L C 2.323 179.077 176.870 -0.193 0.000 1.092 370 L CA 0.962 55.533 54.840 -0.448 0.000 0.759 370 L CB -0.472 41.289 42.059 -0.498 0.000 0.903 370 L HN 0.302 nan 8.230 nan 0.000 0.435 371 Q N -0.390 119.291 119.800 -0.198 0.000 2.245 371 Q HA -0.104 4.235 4.340 -0.000 0.000 0.201 371 Q C 1.156 177.204 176.000 0.081 0.000 0.955 371 Q CA 1.016 56.775 55.803 -0.073 0.000 0.870 371 Q CB 0.120 28.802 28.738 -0.093 0.000 0.945 371 Q HN 0.728 nan 8.270 nan 0.000 0.461 372 Y N -0.796 119.582 120.300 0.130 0.000 2.681 372 Y HA 0.366 4.916 4.550 -0.001 0.000 0.267 372 Y C 1.097 177.063 175.900 0.109 0.000 1.166 372 Y CA -1.099 57.075 58.100 0.123 0.000 1.209 372 Y CB -0.731 37.817 38.460 0.146 0.000 1.161 372 Y HN -0.029 nan 8.280 nan 0.000 0.534 373 K N 0.425 121.062 120.400 0.395 0.000 2.439 373 K HA -0.096 4.223 4.320 -0.000 0.000 0.197 373 K C 0.367 177.089 176.600 0.204 0.000 1.041 373 K CA 1.345 57.823 56.287 0.319 0.000 0.970 373 K CB -0.285 32.404 32.500 0.314 0.000 0.773 373 K HN 0.457 nan 8.250 nan 0.000 0.479 374 D N 1.239 121.747 120.400 0.179 0.000 2.363 374 D HA -0.037 4.603 4.640 -0.000 0.000 0.220 374 D C 0.846 177.208 176.300 0.103 0.000 0.994 374 D CA 0.325 54.398 54.000 0.121 0.000 0.890 374 D CB 0.023 40.884 40.800 0.103 0.000 0.906 374 D HN 0.255 nan 8.370 nan 0.000 0.530 375 L N 0.167 121.459 121.223 0.114 0.000 2.416 375 L HA 0.397 4.736 4.340 -0.000 0.000 0.263 375 L C -2.287 174.623 176.870 0.066 0.000 1.065 375 L CA -2.291 52.594 54.840 0.074 0.000 0.798 375 L CB 0.480 42.570 42.059 0.051 0.000 1.267 375 L HN -0.378 nan 8.230 nan 0.000 0.467 376 P HA 0.038 nan 4.420 nan 0.000 0.271 376 P C 0.840 178.193 177.300 0.089 0.000 1.216 376 P CA -0.229 62.912 63.100 0.068 0.000 0.776 376 P CB 0.869 32.602 31.700 0.056 0.000 0.881 377 V N 2.539 122.537 119.914 0.140 0.000 2.236 377 V HA -0.341 3.779 4.120 -0.000 0.000 0.255 377 V C 2.106 178.314 176.094 0.190 0.000 1.068 377 V CA 2.804 65.238 62.300 0.222 0.000 1.044 377 V CB -1.309 30.629 31.823 0.193 0.000 0.653 377 V HN 0.643 nan 8.190 nan 0.000 0.448 378 S N -0.228 115.562 115.700 0.149 0.000 2.423 378 S HA -0.179 4.291 4.470 -0.000 0.000 0.238 378 S C 1.554 176.166 174.600 0.020 0.000 1.028 378 S CA 1.736 59.982 58.200 0.077 0.000 1.000 378 S CB -0.347 62.861 63.200 0.014 0.000 0.797 378 S HN 0.570 nan 8.310 nan 0.000 0.487 379 L N -0.132 121.084 121.223 -0.011 0.000 2.616 379 L HA 0.224 4.564 4.340 -0.000 0.000 0.229 379 L C 0.630 177.334 176.870 -0.275 0.000 1.110 379 L CA -0.059 54.726 54.840 -0.091 0.000 0.884 379 L CB -0.087 41.942 42.059 -0.051 0.000 1.115 379 L HN 0.023 nan 8.230 nan 0.000 0.481 380 R N 1.853 122.160 120.500 -0.321 0.000 4.113 380 R HA 0.179 4.519 4.340 -0.000 0.000 0.179 380 R C -0.395 175.313 176.300 -0.986 0.000 1.781 380 R CA 0.210 55.767 56.100 -0.905 0.000 1.402 380 R CB -0.297 29.759 30.300 -0.408 0.000 1.375 380 R HN 0.252 nan 8.270 nan 0.000 0.786 381 R N -0.726 119.263 120.500 -0.851 0.000 2.740 381 R HA 0.327 4.666 4.340 -0.000 0.000 0.273 381 R C -0.030 176.132 176.300 -0.230 0.000 0.998 381 R CA -0.812 55.080 56.100 -0.347 0.000 0.900 381 R CB 1.767 31.922 30.300 -0.242 0.000 1.223 381 R HN 0.374 nan 8.270 nan 0.000 0.466 382 G N 0.201 108.968 108.800 -0.055 0.000 2.614 382 G HA2 0.239 4.199 3.960 -0.000 0.000 0.239 382 G HA3 0.239 4.199 3.960 -0.000 0.000 0.239 382 G C 1.012 175.841 174.900 -0.118 0.000 1.240 382 G CA 0.241 45.248 45.100 -0.155 0.000 0.842 382 G HN 0.711 nan 8.290 nan 0.000 0.584 383 A N 1.465 124.178 122.820 -0.179 0.000 1.940 383 A HA -0.079 4.241 4.320 -0.000 0.000 0.221 383 A C 1.234 178.620 177.584 -0.330 0.000 1.190 383 A CA 2.293 54.054 52.037 -0.460 0.000 0.647 383 A CB -0.629 17.499 19.000 -1.454 0.000 0.821 383 A HN 1.406 nan 8.150 nan 0.000 0.457 384 N N -5.187 113.329 118.700 -0.307 0.000 2.745 384 N HA 0.383 5.123 4.740 -0.000 0.000 0.256 384 N C -2.752 172.693 175.510 -0.108 0.000 1.268 384 N CA -1.509 51.375 53.050 -0.276 0.000 0.887 384 N CB 0.546 38.793 38.487 -0.401 0.000 1.575 384 N HN -0.241 nan 8.380 nan 0.000 0.496 385 P HA -0.201 nan 4.420 nan 0.000 0.219 385 P C 1.301 178.669 177.300 0.113 0.000 1.153 385 P CA 2.737 65.762 63.100 -0.125 0.000 0.865 385 P CB -0.050 31.529 31.700 -0.202 0.000 0.788 386 G N -1.403 107.541 108.800 0.239 0.000 2.459 386 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 386 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 386 G C 1.204 176.255 174.900 0.252 0.000 1.183 386 G CA 0.600 45.838 45.100 0.231 0.000 0.776 386 G HN 0.131 nan 8.290 nan 0.000 0.552 387 F N 0.821 120.846 119.950 0.126 0.000 2.141 387 F HA -0.180 4.347 4.527 -0.000 0.000 0.300 387 F C 2.570 178.545 175.800 0.292 0.000 1.079 387 F CA 1.489 59.645 58.000 0.260 0.000 1.264 387 F CB -0.700 38.532 39.000 0.386 0.000 1.011 387 F HN 0.197 nan 8.300 nan 0.000 0.487 388 H N 0.411 119.735 119.070 0.424 0.000 2.256 388 H HA -0.113 4.442 4.556 -0.000 0.000 0.299 388 H C 2.148 177.505 175.328 0.050 0.000 1.071 388 H CA 1.823 58.051 56.048 0.299 0.000 1.280 388 H CB -0.188 29.704 29.762 0.218 0.000 1.370 388 H HN 0.162 nan 8.280 nan 0.000 0.490 389 E N 0.470 120.814 120.200 0.239 0.000 2.267 389 E HA -0.101 4.249 4.350 -0.000 0.000 0.197 389 E C 2.139 178.804 176.600 0.109 0.000 0.998 389 E CA 0.718 57.243 56.400 0.208 0.000 0.830 389 E CB -0.264 29.492 29.700 0.093 0.000 0.751 389 E HN 0.451 nan 8.360 nan 0.000 0.491 390 A N 1.565 124.403 122.820 0.031 0.000 1.855 390 A HA -0.101 4.218 4.320 -0.000 0.000 0.213 390 A C 2.140 179.702 177.584 -0.036 0.000 1.195 390 A CA 0.639 52.635 52.037 -0.068 0.000 0.610 390 A CB -0.357 18.523 19.000 -0.201 0.000 0.837 390 A HN 0.086 nan 8.150 nan 0.000 0.444 391 I N 0.447 121.034 120.570 0.028 0.000 2.132 391 I HA -0.362 3.808 4.170 -0.000 0.000 0.238 391 I C 2.651 178.710 176.117 -0.096 0.000 1.012 391 I CA 2.117 63.391 61.300 -0.043 0.000 1.288 391 I CB -2.029 35.894 38.000 -0.129 0.000 0.997 391 I HN 0.371 nan 8.210 nan 0.000 0.402 392 G N -0.043 108.687 108.800 -0.117 0.000 2.440 392 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 392 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 392 G C 1.285 176.103 174.900 -0.138 0.000 1.154 392 G CA 1.257 46.312 45.100 -0.074 0.000 0.767 392 G HN 0.384 nan 8.290 nan 0.000 0.552 393 D N 0.040 120.344 120.400 -0.159 0.000 2.104 393 D HA -0.102 4.537 4.640 -0.000 0.000 0.194 393 D C 2.786 178.819 176.300 -0.446 0.000 0.994 393 D CA 1.051 54.860 54.000 -0.319 0.000 0.830 393 D CB -0.385 40.163 40.800 -0.420 0.000 0.959 393 D HN 0.195 nan 8.370 nan 0.000 0.452 394 V N 0.500 120.181 119.914 -0.388 0.000 2.250 394 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 394 V C 2.352 178.166 176.094 -0.467 0.000 1.060 394 V CA 1.385 63.440 62.300 -0.408 0.000 1.030 394 V CB -0.607 31.118 31.823 -0.163 0.000 0.643 394 V HN 0.169 nan 8.190 nan 0.000 0.445 395 L N 0.467 121.417 121.223 -0.456 0.000 2.083 395 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 395 L C 2.591 178.957 176.870 -0.841 0.000 1.083 395 L CA 2.143 56.580 54.840 -0.671 0.000 0.752 395 L CB -1.289 40.285 42.059 -0.808 0.000 0.899 395 L HN 0.308 nan 8.230 nan 0.000 0.433 396 A N -0.987 121.426 122.820 -0.678 0.000 2.015 396 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 396 A C 2.319 179.552 177.584 -0.585 0.000 1.163 396 A CA 1.141 52.742 52.037 -0.727 0.000 0.646 396 A CB -0.661 18.028 19.000 -0.519 0.000 0.806 396 A HN 0.381 nan 8.150 nan 0.000 0.448 397 L N -0.527 120.351 121.223 -0.575 0.000 2.046 397 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 397 L C 2.818 179.486 176.870 -0.337 0.000 1.077 397 L CA 1.614 56.155 54.840 -0.499 0.000 0.747 397 L CB -0.372 41.180 42.059 -0.844 0.000 0.896 397 L HN 0.330 nan 8.230 nan 0.000 0.432 398 S N -0.820 114.641 115.700 -0.399 0.000 2.383 398 S HA -0.113 4.356 4.470 -0.000 0.000 0.227 398 S C 1.947 176.314 174.600 -0.388 0.000 1.026 398 S CA 1.030 59.084 58.200 -0.244 0.000 0.981 398 S CB -0.095 63.048 63.200 -0.095 0.000 0.818 398 S HN 0.180 nan 8.310 nan 0.000 0.472 399 V N 1.640 121.174 119.914 -0.632 0.000 2.548 399 V HA -0.076 4.043 4.120 -0.000 0.000 0.249 399 V C 2.211 178.154 176.094 -0.252 0.000 1.055 399 V CA 1.462 63.396 62.300 -0.610 0.000 1.065 399 V CB -0.791 30.576 31.823 -0.760 0.000 0.681 399 V HN 0.406 nan 8.190 nan 0.000 0.462 400 S N 0.079 115.654 115.700 -0.207 0.000 2.447 400 S HA -0.093 4.376 4.470 -0.000 0.000 0.233 400 S C 1.260 175.942 174.600 0.136 0.000 1.006 400 S CA 1.098 59.293 58.200 -0.009 0.000 0.957 400 S CB -0.485 62.731 63.200 0.026 0.000 0.773 400 S HN 0.843 nan 8.310 nan 0.000 0.507 401 T N 1.047 115.614 114.554 0.022 0.000 2.928 401 T HA 0.140 4.490 4.350 -0.000 0.000 0.305 401 T C -2.086 172.521 174.700 -0.155 0.000 1.035 401 T CA -1.328 60.667 62.100 -0.175 0.000 1.145 401 T CB 0.761 69.551 68.868 -0.130 0.000 0.963 401 T HN -0.069 nan 8.240 nan 0.000 0.545 402 P HA -0.009 nan 4.420 nan 0.000 0.219 402 P C 1.740 179.002 177.300 -0.064 0.000 1.146 402 P CA 1.656 64.663 63.100 -0.156 0.000 0.808 402 P CB -0.136 31.430 31.700 -0.224 0.000 0.779 403 E N -1.014 119.140 120.200 -0.077 0.000 2.152 403 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 403 E C 1.821 178.466 176.600 0.074 0.000 0.983 403 E CA 1.406 57.795 56.400 -0.017 0.000 0.818 403 E CB -1.653 28.025 29.700 -0.035 0.000 0.758 403 E HN 0.438 nan 8.360 nan 0.000 0.467 404 H N -0.375 118.689 119.070 -0.011 0.000 2.415 404 H HA 0.236 4.791 4.556 -0.001 0.000 0.297 404 H C 2.151 177.483 175.328 0.007 0.000 1.048 404 H CA 1.010 57.058 56.048 -0.001 0.000 1.365 404 H CB 0.017 29.758 29.762 -0.034 0.000 1.421 404 H HN 0.286 nan 8.280 nan 0.000 0.533 405 L N 0.067 121.356 121.223 0.109 0.000 1.970 405 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 405 L C 2.692 179.584 176.870 0.037 0.000 1.071 405 L CA 1.939 56.816 54.840 0.061 0.000 0.751 405 L CB -0.974 41.108 42.059 0.037 0.000 0.889 405 L HN 0.528 nan 8.230 nan 0.000 0.432 406 H N 1.564 120.615 119.070 -0.032 0.000 2.319 406 H HA -0.249 4.306 4.556 -0.000 0.000 0.299 406 H C 2.096 177.400 175.328 -0.040 0.000 1.092 406 H CA 2.123 58.156 56.048 -0.026 0.000 1.302 406 H CB -0.046 29.701 29.762 -0.026 0.000 1.373 406 H HN 0.245 nan 8.280 nan 0.000 0.497 407 K N 0.954 121.391 120.400 0.061 0.000 2.442 407 K HA -0.072 4.248 4.320 -0.000 0.000 0.200 407 K C 1.611 178.117 176.600 -0.157 0.000 1.045 407 K CA 1.104 57.365 56.287 -0.043 0.000 0.937 407 K CB -0.048 32.409 32.500 -0.073 0.000 0.757 407 K HN 0.467 nan 8.250 nan 0.000 0.474 408 I N -4.739 115.741 120.570 -0.151 0.000 4.702 408 I HA 0.335 4.504 4.170 -0.000 0.000 0.184 408 I C 1.593 177.689 176.117 -0.035 0.000 0.991 408 I CA -0.060 61.206 61.300 -0.058 0.000 1.697 408 I CB -0.621 37.394 38.000 0.025 0.000 1.272 408 I HN -0.046 nan 8.210 nan 0.000 0.408 409 G N 0.821 109.672 108.800 0.086 0.000 2.587 409 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.217 409 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.217 409 G C 1.310 176.220 174.900 0.016 0.000 1.240 409 G CA 2.580 47.734 45.100 0.089 0.000 0.794 409 G HN 0.892 nan 8.290 nan 0.000 0.580 410 L N -0.232 120.992 121.223 0.002 0.000 2.872 410 L HA 0.787 5.127 4.340 -0.000 0.000 0.245 410 L C 0.366 177.230 176.870 -0.010 0.000 1.211 410 L CA -0.024 54.797 54.840 -0.031 0.000 1.013 410 L CB -0.260 41.797 42.059 -0.004 0.000 1.326 410 L HN 0.271 nan 8.230 nan 0.000 0.525 411 L N 0.055 121.289 121.223 0.017 0.000 2.611 411 L HA 0.443 4.782 4.340 -0.000 0.000 0.263 411 L C 0.578 177.520 176.870 0.120 0.000 0.969 411 L CA 0.642 55.522 54.840 0.066 0.000 0.894 411 L CB 1.584 43.692 42.059 0.083 0.000 1.229 411 L HN 0.399 nan 8.230 nan 0.000 0.416 412 D N 1.590 122.061 120.400 0.119 0.000 2.392 412 D HA 0.266 4.906 4.640 -0.000 0.000 0.206 412 D C 0.926 177.367 176.300 0.236 0.000 1.046 412 D CA 0.792 54.895 54.000 0.172 0.000 0.865 412 D CB 0.468 41.311 40.800 0.071 0.000 0.969 412 D HN 0.492 nan 8.370 nan 0.000 0.509 413 R N 0.593 121.174 120.500 0.135 0.000 2.335 413 R HA 0.628 4.967 4.340 -0.000 0.000 0.302 413 R C -0.258 176.046 176.300 0.008 0.000 1.147 413 R CA -0.359 55.775 56.100 0.057 0.000 1.111 413 R CB -0.095 30.226 30.300 0.036 0.000 1.122 413 R HN 0.459 nan 8.270 nan 0.000 0.557 414 V N 2.617 122.483 119.914 -0.080 0.000 2.338 414 V HA 0.120 4.240 4.120 -0.000 0.000 0.255 414 V C 1.787 177.823 176.094 -0.098 0.000 1.082 414 V CA 0.156 62.378 62.300 -0.130 0.000 0.951 414 V CB -0.474 31.181 31.823 -0.279 0.000 1.102 414 V HN 0.918 nan 8.190 nan 0.000 0.489 415 T N 0.828 115.347 114.554 -0.058 0.000 2.580 415 T HA -0.282 4.067 4.350 -0.000 0.000 0.265 415 T C 1.265 175.932 174.700 -0.056 0.000 1.063 415 T CA 1.426 63.499 62.100 -0.045 0.000 1.170 415 T CB -0.460 68.394 68.868 -0.024 0.000 0.863 415 T HN 0.787 nan 8.240 nan 0.000 0.418 416 N N 1.953 120.617 118.700 -0.060 0.000 2.753 416 N HA -0.145 4.595 4.740 -0.000 0.000 0.252 416 N C -1.078 174.406 175.510 -0.044 0.000 1.071 416 N CA 0.706 53.721 53.050 -0.059 0.000 0.690 416 N CB -1.181 37.267 38.487 -0.066 0.000 0.906 416 N HN 0.662 nan 8.380 nan 0.000 0.552 417 D N -1.156 119.222 120.400 -0.036 0.000 2.567 417 D HA 0.467 5.106 4.640 -0.000 0.000 0.275 417 D C 1.049 177.327 176.300 -0.037 0.000 1.195 417 D CA 0.141 54.116 54.000 -0.043 0.000 1.087 417 D CB 1.211 41.982 40.800 -0.048 0.000 1.165 417 D HN 0.144 nan 8.370 nan 0.000 0.609 418 T N -0.681 113.834 114.554 -0.065 0.000 3.087 418 T HA 0.029 4.379 4.350 -0.000 0.000 0.237 418 T C 1.416 176.068 174.700 -0.082 0.000 0.990 418 T CA 0.342 62.407 62.100 -0.059 0.000 1.160 418 T CB 0.059 68.880 68.868 -0.079 0.000 0.923 418 T HN 0.327 nan 8.240 nan 0.000 0.442 419 E N 1.876 121.960 120.200 -0.194 0.000 2.058 419 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 419 E C 2.365 179.005 176.600 0.067 0.000 0.997 419 E CA 1.659 57.903 56.400 -0.260 0.000 0.801 419 E CB -0.216 29.047 29.700 -0.730 0.000 0.746 419 E HN 0.526 nan 8.360 nan 0.000 0.450 420 S N 0.961 116.679 115.700 0.029 0.000 2.474 420 S HA -0.157 4.312 4.470 -0.000 0.000 0.235 420 S C 1.560 176.225 174.600 0.108 0.000 0.997 420 S CA 1.325 59.577 58.200 0.088 0.000 0.949 420 S CB 0.058 63.286 63.200 0.047 0.000 0.766 420 S HN 0.095 nan 8.310 nan 0.000 0.517 421 D N 1.257 121.705 120.400 0.080 0.000 2.213 421 D HA 0.071 4.710 4.640 -0.000 0.000 0.205 421 D C 1.761 178.129 176.300 0.114 0.000 0.961 421 D CA 0.382 54.456 54.000 0.124 0.000 0.853 421 D CB -0.147 40.718 40.800 0.109 0.000 0.967 421 D HN 0.308 nan 8.370 nan 0.000 0.496 422 I N 1.097 121.684 120.570 0.030 0.000 2.202 422 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 422 I C 1.967 178.049 176.117 -0.058 0.000 1.091 422 I CA 0.829 62.061 61.300 -0.112 0.000 1.368 422 I CB -1.171 36.628 38.000 -0.336 0.000 1.058 422 I HN 0.088 nan 8.210 nan 0.000 0.410 423 N N 0.636 119.370 118.700 0.057 0.000 2.018 423 N HA -0.273 4.467 4.740 -0.000 0.000 0.196 423 N C 1.931 177.580 175.510 0.232 0.000 1.043 423 N CA 1.547 54.702 53.050 0.175 0.000 0.856 423 N CB -0.886 37.761 38.487 0.266 0.000 1.042 423 N HN 0.337 nan 8.380 nan 0.000 0.423 424 Y N 1.924 122.276 120.300 0.088 0.000 2.040 424 Y HA -0.206 4.343 4.550 -0.001 0.000 0.275 424 Y C 2.398 178.355 175.900 0.095 0.000 1.171 424 Y CA 1.613 59.749 58.100 0.060 0.000 1.123 424 Y CB -0.794 37.701 38.460 0.058 0.000 0.963 424 Y HN 0.029 nan 8.280 nan 0.000 0.493 425 L N -0.734 120.505 121.223 0.027 0.000 2.043 425 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 425 L C 2.534 179.460 176.870 0.094 0.000 1.075 425 L CA 1.516 56.352 54.840 -0.007 0.000 0.752 425 L CB -0.881 41.185 42.059 0.012 0.000 0.891 425 L HN 0.381 nan 8.230 nan 0.000 0.432 426 L N 0.219 121.498 121.223 0.092 0.000 2.012 426 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 426 L C 2.603 179.582 176.870 0.180 0.000 1.073 426 L CA 1.886 56.814 54.840 0.147 0.000 0.748 426 L CB -0.545 41.611 42.059 0.162 0.000 0.891 426 L HN 0.115 nan 8.230 nan 0.000 0.431 427 K N -1.327 119.164 120.400 0.151 0.000 2.032 427 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 427 K C 2.056 178.649 176.600 -0.011 0.000 1.048 427 K CA 1.844 58.150 56.287 0.031 0.000 0.927 427 K CB -0.103 32.217 32.500 -0.300 0.000 0.712 427 K HN 0.271 nan 8.250 nan 0.000 0.441 428 M N 0.157 119.709 119.600 -0.079 0.000 2.213 428 M HA -0.108 4.371 4.480 -0.000 0.000 0.263 428 M C 2.295 178.722 176.300 0.211 0.000 1.062 428 M CA 1.435 56.753 55.300 0.030 0.000 1.105 428 M CB -1.036 31.588 32.600 0.040 0.000 1.385 428 M HN 0.240 nan 8.290 nan 0.000 0.417 429 A N 0.253 123.194 122.820 0.201 0.000 1.877 429 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 429 A C 2.215 179.791 177.584 -0.013 0.000 1.186 429 A CA 1.199 53.217 52.037 -0.032 0.000 0.620 429 A CB -0.938 18.042 19.000 -0.032 0.000 0.822 429 A HN 0.480 nan 8.150 nan 0.000 0.443 430 L N -0.872 120.408 121.223 0.095 0.000 2.450 430 L HA -0.156 4.184 4.340 -0.000 0.000 0.224 430 L C 2.458 179.398 176.870 0.118 0.000 1.149 430 L CA 1.676 56.603 54.840 0.146 0.000 0.816 430 L CB -0.251 41.982 42.059 0.290 0.000 0.932 430 L HN 0.701 nan 8.230 nan 0.000 0.449 431 E N -0.680 119.584 120.200 0.105 0.000 2.332 431 E HA -0.061 4.289 4.350 -0.000 0.000 0.202 431 E C 1.813 178.534 176.600 0.202 0.000 0.877 431 E CA -0.104 56.378 56.400 0.135 0.000 0.979 431 E CB 0.513 30.258 29.700 0.075 0.000 0.969 431 E HN 0.182 nan 8.360 nan 0.000 0.495 432 K N 0.734 121.231 120.400 0.162 0.000 2.108 432 K HA 0.140 4.460 4.320 -0.000 0.000 0.204 432 K C 2.251 178.998 176.600 0.246 0.000 1.036 432 K CA 0.490 56.934 56.287 0.261 0.000 0.965 432 K CB -0.335 32.315 32.500 0.250 0.000 0.804 432 K HN 0.172 nan 8.250 nan 0.000 0.454 433 I N 1.822 122.354 120.570 -0.063 0.000 2.226 433 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 433 I C 2.429 178.562 176.117 0.028 0.000 1.100 433 I CA 1.177 62.413 61.300 -0.106 0.000 1.374 433 I CB -0.412 37.380 38.000 -0.348 0.000 1.057 433 I HN 0.068 nan 8.210 nan 0.000 0.413 434 A N 0.560 123.319 122.820 -0.101 0.000 1.986 434 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 434 A C 2.231 179.734 177.584 -0.135 0.000 1.171 434 A CA 1.678 53.520 52.037 -0.326 0.000 0.640 434 A CB -1.049 17.311 19.000 -1.066 0.000 0.811 434 A HN 0.491 nan 8.150 nan 0.000 0.451 435 F N 0.620 120.510 119.950 -0.101 0.000 2.102 435 F HA -0.144 4.383 4.527 -0.001 0.000 0.298 435 F C 1.869 177.631 175.800 -0.064 0.000 1.105 435 F CA 1.758 59.721 58.000 -0.061 0.000 1.239 435 F CB -0.324 38.582 39.000 -0.156 0.000 0.991 435 F HN 0.171 nan 8.300 nan 0.000 0.474 436 L N 0.585 121.943 121.223 0.226 0.000 2.054 436 L HA -0.282 4.058 4.340 -0.000 0.000 0.220 436 L C -0.525 176.371 176.870 0.043 0.000 1.081 436 L CA 1.898 56.918 54.840 0.301 0.000 0.780 436 L CB -2.679 39.640 42.059 0.433 0.000 0.893 436 L HN 0.170 nan 8.230 nan 0.000 0.438 437 P HA -0.219 nan 4.420 nan 0.000 0.216 437 P C 1.685 178.732 177.300 -0.422 0.000 1.153 437 P CA 1.559 64.449 63.100 -0.350 0.000 0.848 437 P CB -0.154 31.234 31.700 -0.520 0.000 0.787 438 F N 1.363 120.966 119.950 -0.578 0.000 2.206 438 F HA 0.108 4.635 4.527 -0.001 0.000 0.298 438 F C 2.173 177.579 175.800 -0.656 0.000 1.090 438 F CA 1.699 59.322 58.000 -0.629 0.000 1.323 438 F CB -1.095 37.547 39.000 -0.596 0.000 1.028 438 F HN -0.136 nan 8.300 nan 0.000 0.492 439 G N -1.934 106.319 108.800 -0.912 0.000 2.679 439 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.212 439 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.212 439 G C 1.224 175.961 174.900 -0.272 0.000 1.137 439 G CA 0.725 45.520 45.100 -0.508 0.000 0.787 439 G HN 0.538 nan 8.290 nan 0.000 0.534 440 Y N 0.161 120.011 120.300 -0.749 0.000 2.535 440 Y HA 0.351 4.900 4.550 -0.000 0.000 0.266 440 Y C 2.114 177.405 175.900 -1.014 0.000 1.088 440 Y CA 0.111 57.558 58.100 -1.089 0.000 1.285 440 Y CB 0.031 37.527 38.460 -1.607 0.000 1.166 440 Y HN 0.069 nan 8.280 nan 0.000 0.525 441 L N -0.770 119.875 121.223 -0.963 0.000 2.007 441 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 441 L C 1.823 178.244 176.870 -0.748 0.000 1.073 441 L CA 1.720 55.999 54.840 -0.934 0.000 0.744 441 L CB -0.949 40.657 42.059 -0.755 0.000 0.898 441 L HN 0.066 nan 8.230 nan 0.000 0.435 442 V N 1.154 120.591 119.914 -0.794 0.000 2.222 442 V HA -0.391 3.728 4.120 -0.000 0.000 0.252 442 V C 2.196 178.080 176.094 -0.349 0.000 1.060 442 V CA 2.576 64.523 62.300 -0.588 0.000 1.027 442 V CB -0.906 30.283 31.823 -1.056 0.000 0.644 442 V HN 0.544 nan 8.190 nan 0.000 0.448 443 D N -0.736 119.379 120.400 -0.475 0.000 2.348 443 D HA -0.097 4.543 4.640 -0.000 0.000 0.216 443 D C 2.249 177.799 176.300 -1.250 0.000 0.970 443 D CA 0.666 54.306 54.000 -0.601 0.000 0.889 443 D CB -0.083 40.447 40.800 -0.451 0.000 0.912 443 D HN 0.771 nan 8.370 nan 0.000 0.524 444 Q N -1.580 117.576 119.800 -1.074 0.000 2.425 444 Q HA -0.032 4.308 4.340 -0.000 0.000 0.204 444 Q C 1.670 177.468 176.000 -0.336 0.000 0.933 444 Q CA 0.022 55.297 55.803 -0.880 0.000 0.939 444 Q CB -0.292 28.002 28.738 -0.741 0.000 1.044 444 Q HN 0.385 nan 8.270 nan 0.000 0.513 445 W N 2.237 123.297 121.300 -0.399 0.000 2.444 445 W HA 0.093 4.753 4.660 -0.001 0.000 0.308 445 W C 1.957 178.374 176.519 -0.169 0.000 1.183 445 W CA 1.004 58.248 57.345 -0.170 0.000 1.340 445 W CB 0.111 29.551 29.460 -0.032 0.000 1.138 445 W HN -0.141 nan 8.180 nan 0.000 0.510 446 R N -0.527 119.874 120.500 -0.165 0.000 2.152 446 R HA -0.191 4.149 4.340 -0.000 0.000 0.232 446 R C 1.921 178.040 176.300 -0.301 0.000 1.117 446 R CA 1.655 57.512 56.100 -0.406 0.000 0.981 446 R CB -0.833 29.405 30.300 -0.102 0.000 0.870 446 R HN 0.262 nan 8.270 nan 0.000 0.451 447 W N -0.268 120.942 121.300 -0.151 0.000 2.402 447 W HA 0.083 4.742 4.660 -0.001 0.000 0.286 447 W C 2.169 178.619 176.519 -0.115 0.000 1.221 447 W CA 0.835 58.150 57.345 -0.049 0.000 1.257 447 W CB -1.093 28.367 29.460 0.001 0.000 1.120 447 W HN 0.176 nan 8.180 nan 0.000 0.551 448 G N 0.013 108.807 108.800 -0.011 0.000 2.421 448 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 448 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 448 G C 1.587 176.384 174.900 -0.172 0.000 1.143 448 G CA 1.150 46.197 45.100 -0.087 0.000 0.784 448 G HN 0.090 nan 8.290 nan 0.000 0.541 449 V N 0.307 119.982 119.914 -0.398 0.000 2.283 449 V HA -0.029 4.091 4.120 -0.000 0.000 0.243 449 V C 2.426 178.439 176.094 -0.134 0.000 1.039 449 V CA 1.324 63.399 62.300 -0.374 0.000 1.016 449 V CB -0.709 30.655 31.823 -0.766 0.000 0.650 449 V HN 0.417 nan 8.190 nan 0.000 0.449 450 F N 1.145 121.017 119.950 -0.130 0.000 2.250 450 F HA -0.200 4.327 4.527 -0.000 0.000 0.301 450 F C 2.595 178.340 175.800 -0.093 0.000 1.077 450 F CA 1.177 59.098 58.000 -0.131 0.000 1.348 450 F CB -0.242 38.644 39.000 -0.190 0.000 1.040 450 F HN 0.349 nan 8.300 nan 0.000 0.509 451 S N -0.826 114.942 115.700 0.115 0.000 2.501 451 S HA 0.279 4.749 4.470 -0.000 0.000 0.220 451 S C 1.724 176.345 174.600 0.036 0.000 0.997 451 S CA 0.541 58.778 58.200 0.061 0.000 0.919 451 S CB 0.485 63.720 63.200 0.058 0.000 0.778 451 S HN 0.521 nan 8.310 nan 0.000 0.523 452 G N 1.287 110.105 108.800 0.029 0.000 2.175 452 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.244 452 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.244 452 G C 0.889 175.802 174.900 0.023 0.000 0.982 452 G CA 0.269 45.384 45.100 0.025 0.000 0.641 452 G HN 0.486 nan 8.290 nan 0.000 0.527 453 R N 0.085 120.595 120.500 0.016 0.000 2.148 453 R HA 0.157 4.497 4.340 -0.000 0.000 0.223 453 R C 0.679 176.998 176.300 0.031 0.000 1.088 453 R CA 1.668 57.780 56.100 0.020 0.000 0.985 453 R CB 0.075 30.384 30.300 0.016 0.000 0.880 453 R HN 0.323 nan 8.270 nan 0.000 0.451 454 T N 2.925 117.487 114.554 0.012 0.000 3.060 454 T HA 0.290 4.640 4.350 -0.000 0.000 0.367 454 T C -2.538 172.239 174.700 0.128 0.000 1.229 454 T CA -1.489 60.647 62.100 0.060 0.000 1.104 454 T CB 1.849 70.670 68.868 -0.079 0.000 1.083 454 T HN 0.011 nan 8.240 nan 0.000 0.524 455 P HA 0.326 nan 4.420 nan 0.000 0.279 455 P C -2.306 174.947 177.300 -0.077 0.000 1.282 455 P CA -1.619 61.514 63.100 0.056 0.000 0.788 455 P CB 0.774 32.480 31.700 0.008 0.000 1.139 456 P HA -0.100 nan 4.420 nan 0.000 0.222 456 P C 1.581 178.600 177.300 -0.468 0.000 1.147 456 P CA 1.514 64.009 63.100 -1.008 0.000 0.790 456 P CB -0.371 30.894 31.700 -0.725 0.000 0.780 457 S N -1.307 114.280 115.700 -0.187 0.000 2.603 457 S HA -0.000 4.470 4.470 -0.000 0.000 0.229 457 S C 1.393 176.020 174.600 0.044 0.000 0.972 457 S CA 0.488 58.646 58.200 -0.070 0.000 0.935 457 S CB -0.616 62.553 63.200 -0.053 0.000 0.769 457 S HN 0.111 nan 8.310 nan 0.000 0.536 458 R N -1.248 119.346 120.500 0.157 0.000 2.592 458 R HA 0.325 4.665 4.340 -0.000 0.000 0.439 458 R C 0.354 177.014 176.300 0.600 0.000 0.995 458 R CA -0.260 56.065 56.100 0.375 0.000 1.141 458 R CB 0.002 30.542 30.300 0.401 0.000 1.495 458 R HN 0.458 nan 8.270 nan 0.000 0.579 459 Y N 0.452 120.989 120.300 0.395 0.000 2.114 459 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 459 Y C 1.918 178.221 175.900 0.671 0.000 1.165 459 Y CA 1.131 59.587 58.100 0.593 0.000 1.148 459 Y CB 0.146 38.929 38.460 0.539 0.000 0.972 459 Y HN 0.151 nan 8.280 nan 0.000 0.504 460 N N -0.516 118.620 118.700 0.728 0.000 2.415 460 N HA -0.104 4.635 4.740 -0.000 0.000 0.176 460 N C 1.336 177.327 175.510 0.801 0.000 1.042 460 N CA 0.319 53.786 53.050 0.696 0.000 0.902 460 N CB -0.313 38.569 38.487 0.659 0.000 0.986 460 N HN 0.186 nan 8.380 nan 0.000 0.447 461 F N 1.448 121.713 119.950 0.525 0.000 2.113 461 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 461 F C 1.498 177.583 175.800 0.476 0.000 1.103 461 F CA 1.405 59.673 58.000 0.447 0.000 1.248 461 F CB -0.276 38.913 39.000 0.314 0.000 0.999 461 F HN -0.015 nan 8.300 nan 0.000 0.475 462 D N -0.757 119.909 120.400 0.444 0.000 2.347 462 D HA -0.166 4.474 4.640 -0.000 0.000 0.215 462 D C 2.032 178.623 176.300 0.486 0.000 0.976 462 D CA 0.483 54.674 54.000 0.318 0.000 0.884 462 D CB -0.591 40.413 40.800 0.340 0.000 0.915 462 D HN 0.542 nan 8.370 nan 0.000 0.526 463 W N 0.036 121.476 121.300 0.234 0.000 2.413 463 W HA -0.187 4.473 4.660 -0.000 0.000 0.315 463 W C 1.277 177.638 176.519 -0.264 0.000 1.186 463 W CA 0.479 57.696 57.345 -0.214 0.000 1.326 463 W CB -0.542 28.599 29.460 -0.532 0.000 1.153 463 W HN -0.012 nan 8.180 nan 0.000 0.489 464 W N -0.219 121.193 121.300 0.187 0.000 2.465 464 W HA -0.185 4.475 4.660 -0.001 0.000 0.268 464 W C 2.293 178.801 176.519 -0.019 0.000 1.242 464 W CA 1.303 58.657 57.345 0.015 0.000 1.248 464 W CB -1.243 28.305 29.460 0.147 0.000 1.118 464 W HN 0.058 nan 8.180 nan 0.000 0.587 465 Y N 0.703 121.031 120.300 0.047 0.000 2.145 465 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 465 Y C 2.077 177.964 175.900 -0.023 0.000 1.145 465 Y CA 1.919 59.993 58.100 -0.044 0.000 1.148 465 Y CB -0.685 37.674 38.460 -0.169 0.000 0.981 465 Y HN -0.144 nan 8.280 nan 0.000 0.507 466 L N -0.115 121.139 121.223 0.052 0.000 2.093 466 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 466 L C 2.690 179.446 176.870 -0.190 0.000 1.085 466 L CA 1.025 55.852 54.840 -0.021 0.000 0.755 466 L CB -0.507 41.549 42.059 -0.004 0.000 0.904 466 L HN 0.162 nan 8.230 nan 0.000 0.435 467 R N -0.528 119.718 120.500 -0.424 0.000 2.075 467 R HA -0.076 4.263 4.340 -0.000 0.000 0.232 467 R C 2.226 178.393 176.300 -0.222 0.000 1.126 467 R CA 1.700 57.515 56.100 -0.475 0.000 0.963 467 R CB -0.869 28.918 30.300 -0.855 0.000 0.858 467 R HN 0.313 nan 8.270 nan 0.000 0.435 468 T N 1.211 115.680 114.554 -0.141 0.000 2.857 468 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 468 T C 1.797 176.423 174.700 -0.124 0.000 1.048 468 T CA 1.195 63.195 62.100 -0.167 0.000 1.139 468 T CB 0.029 68.874 68.868 -0.039 0.000 0.874 468 T HN 0.271 nan 8.240 nan 0.000 0.455 469 K N -0.290 119.987 120.400 -0.204 0.000 2.063 469 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 469 K C 1.638 178.135 176.600 -0.171 0.000 1.048 469 K CA 1.585 57.710 56.287 -0.271 0.000 0.928 469 K CB -0.103 31.982 32.500 -0.691 0.000 0.713 469 K HN 0.409 nan 8.250 nan 0.000 0.442 470 Y N -0.110 120.168 120.300 -0.038 0.000 2.351 470 Y HA 0.103 4.653 4.550 -0.000 0.000 0.291 470 Y C 2.386 178.309 175.900 0.037 0.000 1.153 470 Y CA 0.428 58.533 58.100 0.008 0.000 1.193 470 Y CB -0.041 38.295 38.460 -0.206 0.000 1.187 470 Y HN -0.018 nan 8.280 nan 0.000 0.524 471 Q N -0.086 119.735 119.800 0.036 0.000 2.230 471 Q HA 0.045 4.384 4.340 -0.000 0.000 0.202 471 Q C 1.093 177.040 176.000 -0.088 0.000 0.963 471 Q CA 0.899 56.724 55.803 0.036 0.000 0.866 471 Q CB -0.103 28.645 28.738 0.016 0.000 0.931 471 Q HN 0.667 nan 8.270 nan 0.000 0.452 472 G N 1.952 110.334 108.800 -0.697 0.000 2.272 472 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.280 472 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.280 472 G C 0.039 174.436 174.900 -0.838 0.000 1.067 472 G CA 0.683 44.547 45.100 -2.061 0.000 0.902 472 G HN 0.469 nan 8.290 nan 0.000 0.500 473 I N -3.197 117.145 120.570 -0.379 0.000 3.108 473 I HA 0.936 5.106 4.170 -0.000 0.000 0.312 473 I C 0.418 176.485 176.117 -0.084 0.000 1.095 473 I CA -1.153 60.065 61.300 -0.137 0.000 1.000 473 I CB 2.281 40.272 38.000 -0.016 0.000 1.229 473 I HN 0.677 nan 8.210 nan 0.000 0.454 474 C N 0.439 119.669 119.300 -0.117 0.000 3.170 474 C HA 0.690 5.150 4.460 -0.000 0.000 0.319 474 C C -2.924 171.743 174.990 -0.538 0.000 1.260 474 C CA -1.673 57.176 59.018 -0.281 0.000 1.374 474 C CB 1.701 29.138 27.740 -0.505 0.000 1.739 474 C HN 0.725 nan 8.230 nan 0.000 0.479 475 P HA 0.214 nan 4.420 nan 0.000 0.267 475 P C -2.044 174.811 177.300 -0.743 0.000 1.209 475 P CA -0.488 62.007 63.100 -1.008 0.000 0.763 475 P CB 0.551 31.588 31.700 -1.105 0.000 0.816 476 P HA 0.039 nan 4.420 nan 0.000 0.249 476 P C 0.037 177.103 177.300 -0.391 0.000 1.241 476 P CA 0.426 63.179 63.100 -0.579 0.000 0.781 476 P CB 0.541 31.686 31.700 -0.926 0.000 1.088 477 V N -0.991 118.737 119.914 -0.309 0.000 3.000 477 V HA 0.224 4.344 4.120 -0.000 0.000 0.300 477 V C -0.453 175.586 176.094 -0.091 0.000 1.251 477 V CA -0.488 61.732 62.300 -0.134 0.000 0.972 477 V CB 2.274 34.073 31.823 -0.040 0.000 1.065 477 V HN -0.151 nan 8.190 nan 0.000 0.431 478 T N 6.500 121.030 114.554 -0.041 0.000 2.939 478 T HA 0.303 4.652 4.350 -0.000 0.000 0.319 478 T C -0.340 174.388 174.700 0.046 0.000 1.082 478 T CA 0.009 62.095 62.100 -0.023 0.000 1.133 478 T CB -0.055 68.808 68.868 -0.009 0.000 1.019 478 T HN 0.567 nan 8.240 nan 0.000 0.548 479 R N 3.078 123.622 120.500 0.073 0.000 2.514 479 R HA 0.373 4.712 4.340 -0.000 0.000 0.296 479 R C -0.474 176.039 176.300 0.355 0.000 1.012 479 R CA -0.765 55.503 56.100 0.280 0.000 0.897 479 R CB 1.177 31.530 30.300 0.089 0.000 1.184 479 R HN 0.620 nan 8.270 nan 0.000 0.440 480 N N 1.042 119.970 118.700 0.380 0.000 2.491 480 N HA 0.097 4.837 4.740 -0.000 0.000 0.279 480 N C 0.524 176.116 175.510 0.136 0.000 1.236 480 N CA -0.589 52.527 53.050 0.110 0.000 0.982 480 N CB 1.059 39.493 38.487 -0.088 0.000 1.194 480 N HN 0.444 nan 8.380 nan 0.000 0.582 481 E N -0.010 120.246 120.200 0.093 0.000 2.512 481 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 481 E C 1.092 177.725 176.600 0.055 0.000 1.083 481 E CA 0.422 56.905 56.400 0.138 0.000 0.873 481 E CB -0.419 29.340 29.700 0.099 0.000 0.897 481 E HN 0.688 nan 8.360 nan 0.000 0.514 482 T N -3.101 111.402 114.554 -0.084 0.000 3.129 482 T HA 0.059 4.409 4.350 -0.000 0.000 0.251 482 T C 0.371 175.034 174.700 -0.061 0.000 1.117 482 T CA -0.054 61.977 62.100 -0.116 0.000 1.034 482 T CB -0.282 68.470 68.868 -0.194 0.000 0.968 482 T HN 0.138 nan 8.240 nan 0.000 0.526 483 H N -0.352 118.810 119.070 0.153 0.000 2.508 483 H HA 0.553 5.109 4.556 -0.000 0.000 0.344 483 H C -1.264 174.250 175.328 0.309 0.000 1.192 483 H CA -1.169 54.992 56.048 0.188 0.000 1.290 483 H CB 1.346 31.227 29.762 0.198 0.000 1.571 483 H HN 0.246 nan 8.280 nan 0.000 0.555 484 F N 1.823 121.875 119.950 0.169 0.000 2.872 484 F HA 0.134 4.661 4.527 -0.000 0.000 0.363 484 F C -0.121 175.575 175.800 -0.175 0.000 1.357 484 F CA -0.587 57.420 58.000 0.012 0.000 1.174 484 F CB 0.592 39.596 39.000 0.008 0.000 1.860 484 F HN 0.582 nan 8.300 nan 0.000 0.615 485 D N 1.903 122.164 120.400 -0.230 0.000 2.219 485 D HA -0.112 4.527 4.640 -0.000 0.000 0.205 485 D C 2.166 177.860 176.300 -1.009 0.000 0.970 485 D CA 1.111 54.934 54.000 -0.295 0.000 0.851 485 D CB 0.256 41.230 40.800 0.291 0.000 0.943 485 D HN 0.559 nan 8.370 nan 0.000 0.488 486 A N 0.826 122.428 122.820 -2.031 0.000 2.015 486 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 486 A C 2.294 178.784 177.584 -1.824 0.000 1.163 486 A CA 1.564 51.955 52.037 -2.744 0.000 0.646 486 A CB -0.673 16.239 19.000 -3.480 0.000 0.806 486 A HN 0.284 nan 8.150 nan 0.000 0.448 487 G N -1.164 106.419 108.800 -2.028 0.000 2.744 487 G HA2 0.225 4.185 3.960 -0.000 0.000 0.211 487 G HA3 0.225 4.185 3.960 -0.000 0.000 0.211 487 G C 1.200 175.756 174.900 -0.573 0.000 1.143 487 G CA 0.776 45.075 45.100 -1.335 0.000 0.788 487 G HN 0.705 nan 8.290 nan 0.000 0.534 488 A N -0.402 122.132 122.820 -0.476 0.000 2.238 488 A HA 0.369 4.689 4.320 -0.000 0.000 0.208 488 A C 1.136 179.068 177.584 0.580 0.000 1.177 488 A CA 0.278 52.270 52.037 -0.076 0.000 0.804 488 A CB -0.055 18.633 19.000 -0.519 0.000 0.823 488 A HN 0.242 nan 8.150 nan 0.000 0.482 489 K N -0.629 119.857 120.400 0.143 0.000 2.240 489 K HA 0.405 4.725 4.320 -0.000 0.000 0.271 489 K C 0.325 176.768 176.600 -0.262 0.000 1.018 489 K CA -0.800 55.499 56.287 0.021 0.000 0.874 489 K CB 0.132 32.499 32.500 -0.221 0.000 1.098 489 K HN 0.103 nan 8.250 nan 0.000 0.458 490 F N 4.346 124.001 119.950 -0.492 0.000 2.079 490 F HA -0.394 4.133 4.527 -0.000 0.000 0.296 490 F C 1.449 176.823 175.800 -0.710 0.000 1.084 490 F CA 2.167 59.549 58.000 -1.031 0.000 1.236 490 F CB -0.003 38.484 39.000 -0.855 0.000 0.984 490 F HN 0.796 nan 8.300 nan 0.000 0.488 491 H N -1.183 117.741 119.070 -0.243 0.000 2.518 491 H HA -0.082 4.474 4.556 -0.000 0.000 0.289 491 H C 2.297 177.522 175.328 -0.172 0.000 1.051 491 H CA 1.333 57.321 56.048 -0.099 0.000 1.280 491 H CB -0.210 29.639 29.762 0.145 0.000 1.380 491 H HN 0.300 nan 8.280 nan 0.000 0.566 492 V N 1.756 121.540 119.914 -0.217 0.000 2.283 492 V HA -0.104 4.016 4.120 -0.000 0.000 0.239 492 V C -0.495 175.492 176.094 -0.178 0.000 1.035 492 V CA 1.345 63.518 62.300 -0.212 0.000 1.018 492 V CB -1.131 30.377 31.823 -0.525 0.000 0.658 492 V HN 0.353 nan 8.190 nan 0.000 0.459 493 P HA -0.101 nan 4.420 nan 0.000 0.230 493 P C 0.673 177.753 177.300 -0.366 0.000 1.158 493 P CA 1.208 64.152 63.100 -0.261 0.000 0.769 493 P CB -0.126 31.413 31.700 -0.268 0.000 0.807 494 N N -0.112 118.280 118.700 -0.514 0.000 2.251 494 N HA 0.095 4.834 4.740 -0.000 0.000 0.217 494 N C -0.202 175.169 175.510 -0.230 0.000 1.124 494 N CA -0.191 52.553 53.050 -0.510 0.000 0.843 494 N CB 0.680 38.552 38.487 -1.025 0.000 1.024 494 N HN -0.207 nan 8.380 nan 0.000 0.501 495 V N 1.611 121.468 119.914 -0.095 0.000 5.637 495 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 495 V C -0.237 175.997 176.094 0.234 0.000 0.678 495 V CA 1.058 63.477 62.300 0.198 0.000 0.578 495 V CB -2.357 29.572 31.823 0.178 0.000 0.235 495 V HN 0.253 nan 8.190 nan 0.000 0.609 496 T N 2.481 117.152 114.554 0.195 0.000 2.809 496 T HA 0.488 4.838 4.350 -0.000 0.000 0.296 496 T C -2.048 172.777 174.700 0.208 0.000 1.015 496 T CA -1.298 60.902 62.100 0.166 0.000 0.954 496 T CB 2.017 71.035 68.868 0.251 0.000 0.950 496 T HN 0.223 nan 8.240 nan 0.000 0.450 497 P HA 0.003 nan 4.420 nan 0.000 0.269 497 P C -0.409 177.105 177.300 0.357 0.000 1.205 497 P CA 0.138 63.186 63.100 -0.087 0.000 0.780 497 P CB 0.576 32.121 31.700 -0.257 0.000 0.858 498 Y N 1.194 121.648 120.300 0.257 0.000 2.512 498 Y HA 0.176 4.726 4.550 -0.001 0.000 0.268 498 Y C 1.791 177.852 175.900 0.268 0.000 1.102 498 Y CA 0.026 58.289 58.100 0.271 0.000 1.261 498 Y CB -0.172 38.297 38.460 0.015 0.000 1.250 498 Y HN 0.134 nan 8.280 nan 0.000 0.506 499 I N 2.033 122.815 120.570 0.353 0.000 2.800 499 I HA -0.249 3.921 4.170 -0.000 0.000 0.266 499 I C 2.300 178.622 176.117 0.343 0.000 1.249 499 I CA 1.345 62.837 61.300 0.321 0.000 1.458 499 I CB -0.445 37.825 38.000 0.450 0.000 1.093 499 I HN 0.257 nan 8.210 nan 0.000 0.466 500 R N -0.960 119.693 120.500 0.254 0.000 2.092 500 R HA -0.176 4.164 4.340 -0.000 0.000 0.231 500 R C 1.942 178.202 176.300 -0.066 0.000 1.119 500 R CA 1.720 57.894 56.100 0.124 0.000 0.970 500 R CB -1.221 29.039 30.300 -0.067 0.000 0.864 500 R HN 0.343 nan 8.270 nan 0.000 0.440 501 Y N 0.058 120.362 120.300 0.007 0.000 2.373 501 Y HA -0.082 4.467 4.550 -0.001 0.000 0.293 501 Y C 2.084 178.012 175.900 0.047 0.000 1.129 501 Y CA 0.903 58.953 58.100 -0.082 0.000 1.226 501 Y CB -0.236 37.981 38.460 -0.405 0.000 1.000 501 Y HN 0.034 nan 8.280 nan 0.000 0.549 502 F N -0.004 120.034 119.950 0.147 0.000 2.074 502 F HA -0.172 4.354 4.527 -0.001 0.000 0.293 502 F C 2.195 178.087 175.800 0.154 0.000 1.116 502 F CA 1.171 59.267 58.000 0.162 0.000 1.212 502 F CB -0.892 38.190 39.000 0.136 0.000 0.998 502 F HN -0.214 nan 8.300 nan 0.000 0.471 503 V N 0.052 120.047 119.914 0.135 0.000 2.277 503 V HA -0.393 3.727 4.120 -0.000 0.000 0.253 503 V C 2.737 178.777 176.094 -0.090 0.000 1.067 503 V CA 2.238 64.528 62.300 -0.016 0.000 1.047 503 V CB -1.509 30.372 31.823 0.097 0.000 0.649 503 V HN 0.589 nan 8.190 nan 0.000 0.447 504 S N -0.552 115.147 115.700 -0.002 0.000 2.365 504 S HA -0.230 4.239 4.470 -0.000 0.000 0.225 504 S C 1.859 176.461 174.600 0.002 0.000 1.039 504 S CA 2.013 60.202 58.200 -0.018 0.000 1.033 504 S CB -0.434 62.813 63.200 0.078 0.000 0.887 504 S HN 0.478 nan 8.310 nan 0.000 0.447 505 F N 1.298 121.129 119.950 -0.198 0.000 2.186 505 F HA 0.028 4.555 4.527 -0.001 0.000 0.299 505 F C 2.425 178.194 175.800 -0.052 0.000 1.090 505 F CA 0.566 58.480 58.000 -0.144 0.000 1.307 505 F CB -0.955 37.993 39.000 -0.087 0.000 1.019 505 F HN 0.084 nan 8.300 nan 0.000 0.489 506 V N 0.697 120.605 119.914 -0.011 0.000 2.255 506 V HA -0.223 3.896 4.120 -0.000 0.000 0.243 506 V C 2.272 178.340 176.094 -0.043 0.000 1.038 506 V CA 1.684 63.961 62.300 -0.037 0.000 1.008 506 V CB -0.898 30.793 31.823 -0.221 0.000 0.645 506 V HN 0.405 nan 8.190 nan 0.000 0.449 507 L N 0.822 121.914 121.223 -0.218 0.000 2.675 507 L HA -0.037 4.303 4.340 -0.000 0.000 0.238 507 L C 2.147 178.622 176.870 -0.658 0.000 1.155 507 L CA 1.212 55.814 54.840 -0.395 0.000 0.881 507 L CB -0.647 41.088 42.059 -0.540 0.000 1.008 507 L HN 0.541 nan 8.230 nan 0.000 0.443 508 Q N -0.051 119.453 119.800 -0.493 0.000 2.245 508 Q HA -0.111 4.228 4.340 -0.000 0.000 0.201 508 Q C 1.284 176.959 176.000 -0.541 0.000 0.955 508 Q CA 1.184 56.610 55.803 -0.627 0.000 0.870 508 Q CB -0.372 27.955 28.738 -0.685 0.000 0.945 508 Q HN 0.595 nan 8.270 nan 0.000 0.461 509 F N 1.464 121.297 119.950 -0.194 0.000 2.512 509 F HA 0.095 4.621 4.527 -0.000 0.000 0.296 509 F C 2.333 178.152 175.800 0.032 0.000 1.110 509 F CA 0.557 58.529 58.000 -0.047 0.000 1.446 509 F CB 0.115 39.080 39.000 -0.058 0.000 1.092 509 F HN 0.078 nan 8.300 nan 0.000 0.554 510 Q N -0.518 119.342 119.800 0.100 0.000 2.123 510 Q HA -0.129 4.211 4.340 -0.000 0.000 0.199 510 Q C 1.999 178.138 176.000 0.232 0.000 0.966 510 Q CA 1.170 57.046 55.803 0.121 0.000 0.845 510 Q CB -0.320 28.441 28.738 0.038 0.000 0.907 510 Q HN 0.334 nan 8.270 nan 0.000 0.439 511 F N 0.493 120.423 119.950 -0.033 0.000 2.084 511 F HA -0.158 4.369 4.527 -0.000 0.000 0.296 511 F C 2.439 178.243 175.800 0.008 0.000 1.111 511 F CA 1.345 59.312 58.000 -0.056 0.000 1.224 511 F CB -1.323 37.591 39.000 -0.142 0.000 0.991 511 F HN 0.214 nan 8.300 nan 0.000 0.471 512 H N 0.299 119.418 119.070 0.081 0.000 2.319 512 H HA -0.193 4.362 4.556 -0.000 0.000 0.297 512 H C 2.240 177.607 175.328 0.065 0.000 1.097 512 H CA 2.323 58.377 56.048 0.009 0.000 1.285 512 H CB -0.383 29.340 29.762 -0.065 0.000 1.368 512 H HN 0.405 nan 8.280 nan 0.000 0.495 513 E N -0.423 119.837 120.200 0.101 0.000 2.028 513 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 513 E C 2.351 178.972 176.600 0.034 0.000 0.988 513 E CA 0.947 57.364 56.400 0.029 0.000 0.799 513 E CB -0.291 29.471 29.700 0.105 0.000 0.755 513 E HN 0.524 nan 8.360 nan 0.000 0.447 514 A N 0.898 123.769 122.820 0.085 0.000 2.032 514 A HA -0.175 4.145 4.320 -0.000 0.000 0.221 514 A C 2.140 179.742 177.584 0.030 0.000 1.165 514 A CA 1.305 53.383 52.037 0.069 0.000 0.645 514 A CB -0.528 18.532 19.000 0.101 0.000 0.807 514 A HN 0.336 nan 8.150 nan 0.000 0.453 515 L N -1.696 119.540 121.223 0.021 0.000 2.249 515 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 515 L C 2.460 179.322 176.870 -0.012 0.000 1.090 515 L CA 0.520 55.360 54.840 0.000 0.000 0.802 515 L CB -0.464 41.604 42.059 0.014 0.000 0.947 515 L HN 0.432 nan 8.230 nan 0.000 0.453 516 c N -0.055 118.507 118.600 -0.062 0.000 2.435 516 c HA -0.129 4.440 4.570 -0.000 0.000 0.279 516 c C 2.841 176.964 174.090 0.055 0.000 1.321 516 c CA 0.639 56.929 56.329 -0.064 0.000 1.752 516 c CB -0.500 41.883 42.510 -0.211 0.000 1.959 516 c HN 0.431 nan 8.230 nan 0.000 0.500 517 K N 1.324 121.748 120.400 0.039 0.000 1.973 517 K HA -0.209 4.110 4.320 -0.000 0.000 0.212 517 K C 1.992 178.613 176.600 0.035 0.000 1.047 517 K CA 1.914 58.229 56.287 0.047 0.000 0.937 517 K CB -0.328 32.193 32.500 0.036 0.000 0.721 517 K HN 0.282 nan 8.250 nan 0.000 0.440 518 E N 0.245 120.458 120.200 0.021 0.000 2.219 518 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 518 E C 1.238 177.846 176.600 0.013 0.000 0.998 518 E CA 1.355 57.761 56.400 0.011 0.000 0.818 518 E CB -0.151 29.549 29.700 -0.000 0.000 0.741 518 E HN 0.445 nan 8.360 nan 0.000 0.477 519 A N -0.619 122.216 122.820 0.026 0.000 2.235 519 A HA 0.300 4.620 4.320 -0.000 0.000 0.208 519 A C 1.708 179.323 177.584 0.053 0.000 1.172 519 A CA 0.801 52.858 52.037 0.033 0.000 0.786 519 A CB -0.778 18.245 19.000 0.038 0.000 0.804 519 A HN 0.432 nan 8.150 nan 0.000 0.479 520 G N -1.807 107.022 108.800 0.048 0.000 2.179 520 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.257 520 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.257 520 G C 0.029 174.960 174.900 0.052 0.000 1.010 520 G CA 0.487 45.607 45.100 0.032 0.000 0.736 520 G HN 0.932 nan 8.290 nan 0.000 0.513 521 Y N 0.692 120.971 120.300 -0.035 0.000 2.346 521 Y HA 0.496 5.046 4.550 -0.000 0.000 0.330 521 Y C 0.251 176.124 175.900 -0.044 0.000 1.178 521 Y CA 0.303 58.379 58.100 -0.041 0.000 1.331 521 Y CB 0.886 39.314 38.460 -0.053 0.000 1.253 521 Y HN 0.637 nan 8.280 nan 0.000 0.529 522 E N 3.280 122.875 120.200 -1.009 0.000 2.316 522 E HA 0.658 5.007 4.350 -0.000 0.000 0.254 522 E C -0.440 175.524 176.600 -1.060 0.000 0.902 522 E CA -0.222 55.720 56.400 -0.764 0.000 0.801 522 E CB 0.771 30.251 29.700 -0.367 0.000 1.270 522 E HN 1.404 nan 8.360 nan 0.000 0.414 523 G N 1.427 109.718 108.800 -0.847 0.000 2.341 523 G HA2 0.461 4.421 3.960 -0.000 0.000 0.293 523 G HA3 0.461 4.421 3.960 -0.000 0.000 0.293 523 G C -2.997 171.916 174.900 0.021 0.000 1.298 523 G CA -0.324 44.541 45.100 -0.392 0.000 0.868 523 G HN 0.552 nan 8.290 nan 0.000 0.540 524 P HA 0.196 nan 4.420 nan 0.000 0.261 524 P C 1.229 178.557 177.300 0.046 0.000 1.183 524 P CA -0.422 62.699 63.100 0.036 0.000 0.761 524 P CB 0.830 32.468 31.700 -0.104 0.000 0.785 525 L N 4.695 125.966 121.223 0.080 0.000 2.081 525 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 525 L C 2.131 178.935 176.870 -0.111 0.000 1.080 525 L CA 1.937 56.789 54.840 0.019 0.000 0.754 525 L CB -1.163 40.950 42.059 0.090 0.000 0.893 525 L HN 0.559 nan 8.230 nan 0.000 0.433 526 H N -1.514 117.337 119.070 -0.365 0.000 2.559 526 H HA -0.014 4.542 4.556 -0.000 0.000 0.273 526 H C 1.229 176.437 175.328 -0.199 0.000 1.000 526 H CA 0.926 56.582 56.048 -0.654 0.000 1.195 526 H CB -0.223 28.912 29.762 -1.045 0.000 1.368 526 H HN 0.583 nan 8.280 nan 0.000 0.592 527 Q N 0.445 119.907 119.800 -0.563 0.000 2.217 527 Q HA 0.155 4.495 4.340 -0.000 0.000 0.217 527 Q C 0.330 176.107 176.000 -0.371 0.000 0.844 527 Q CA -0.309 55.241 55.803 -0.422 0.000 0.957 527 Q CB 0.857 29.344 28.738 -0.419 0.000 1.127 527 Q HN 0.396 nan 8.270 nan 0.000 0.503 528 c N 1.350 119.634 118.600 -0.525 0.000 2.657 528 c HA 0.255 4.825 4.570 -0.000 0.000 0.404 528 c C -0.145 173.754 174.090 -0.318 0.000 1.291 528 c CA 0.039 55.827 56.329 -0.903 0.000 2.218 528 c CB 0.551 42.458 42.510 -1.004 0.000 2.687 528 c HN 0.356 nan 8.230 nan 0.000 0.634 529 D N 3.274 123.520 120.400 -0.257 0.000 2.375 529 D HA 0.225 4.864 4.640 -0.000 0.000 0.241 529 D C 0.230 176.575 176.300 0.075 0.000 1.361 529 D CA -0.440 53.565 54.000 0.008 0.000 0.995 529 D CB 0.971 41.820 40.800 0.081 0.000 1.312 529 D HN 0.450 nan 8.370 nan 0.000 0.576 530 I N 2.392 123.043 120.570 0.136 0.000 3.688 530 I HA 0.134 4.303 4.170 -0.000 0.000 0.307 530 I C 0.860 177.055 176.117 0.130 0.000 1.287 530 I CA -0.810 60.562 61.300 0.119 0.000 1.192 530 I CB -2.474 35.585 38.000 0.100 0.000 1.043 530 I HN 0.380 nan 8.210 nan 0.000 0.442 531 Y N 2.187 122.455 120.300 -0.053 0.000 2.712 531 Y HA 0.242 4.791 4.550 -0.001 0.000 0.333 531 Y C 1.567 177.312 175.900 -0.258 0.000 1.225 531 Y CA -0.195 57.669 58.100 -0.394 0.000 1.499 531 Y CB 0.048 38.434 38.460 -0.123 0.000 1.288 531 Y HN 0.391 nan 8.280 nan 0.000 0.575 532 R N 0.755 120.962 120.500 -0.488 0.000 3.953 532 R HA -0.227 4.112 4.340 -0.000 0.000 0.448 532 R C 0.236 176.406 176.300 -0.217 0.000 1.016 532 R CA 1.185 57.018 56.100 -0.446 0.000 1.398 532 R CB -1.696 28.259 30.300 -0.574 0.000 2.021 532 R HN 0.536 nan 8.270 nan 0.000 0.538 533 S N 0.689 116.311 115.700 -0.130 0.000 2.430 533 S HA 0.130 4.600 4.470 -0.000 0.000 0.282 533 S C 1.584 176.143 174.600 -0.069 0.000 1.186 533 S CA 0.331 58.487 58.200 -0.074 0.000 1.060 533 S CB 1.104 64.286 63.200 -0.030 0.000 0.966 533 S HN 0.320 nan 8.310 nan 0.000 0.501 534 T N 3.085 117.599 114.554 -0.067 0.000 2.896 534 T HA 0.000 4.350 4.350 -0.000 0.000 0.263 534 T C 2.199 176.874 174.700 -0.041 0.000 1.050 534 T CA 1.113 63.180 62.100 -0.055 0.000 1.140 534 T CB -0.752 68.084 68.868 -0.054 0.000 0.877 534 T HN 0.660 nan 8.240 nan 0.000 0.457 535 K N 1.680 122.059 120.400 -0.034 0.000 2.074 535 K HA 0.221 4.541 4.320 -0.000 0.000 0.209 535 K C 2.672 179.256 176.600 -0.028 0.000 1.048 535 K CA 1.881 58.152 56.287 -0.026 0.000 0.926 535 K CB -1.532 30.956 32.500 -0.019 0.000 0.713 535 K HN 0.735 nan 8.250 nan 0.000 0.444 536 A N 0.728 123.531 122.820 -0.028 0.000 1.841 536 A HA 0.224 4.544 4.320 -0.000 0.000 0.214 536 A C 2.889 180.445 177.584 -0.047 0.000 1.195 536 A CA 1.852 53.870 52.037 -0.031 0.000 0.611 536 A CB -1.293 17.696 19.000 -0.018 0.000 0.835 536 A HN 0.740 nan 8.150 nan 0.000 0.443 537 G N -0.260 108.514 108.800 -0.043 0.000 2.547 537 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.221 537 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.221 537 G C 1.702 176.571 174.900 -0.052 0.000 1.140 537 G CA 1.921 46.994 45.100 -0.045 0.000 0.760 537 G HN 0.923 nan 8.290 nan 0.000 0.583 538 A N 0.224 123.017 122.820 -0.044 0.000 1.930 538 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 538 A C 2.215 179.769 177.584 -0.050 0.000 1.175 538 A CA 2.027 54.040 52.037 -0.041 0.000 0.627 538 A CB -0.342 18.640 19.000 -0.031 0.000 0.815 538 A HN 0.417 nan 8.150 nan 0.000 0.443 539 K N -0.593 119.773 120.400 -0.057 0.000 2.217 539 K HA 0.063 4.383 4.320 -0.000 0.000 0.202 539 K C 1.834 178.366 176.600 -0.113 0.000 1.051 539 K CA 0.822 57.069 56.287 -0.067 0.000 0.952 539 K CB -0.167 32.298 32.500 -0.057 0.000 0.736 539 K HN 0.520 nan 8.250 nan 0.000 0.453 540 L N 0.613 121.753 121.223 -0.139 0.000 2.068 540 L HA -0.057 4.282 4.340 -0.000 0.000 0.204 540 L C 2.456 179.211 176.870 -0.192 0.000 1.076 540 L CA 0.955 55.665 54.840 -0.218 0.000 0.753 540 L CB -0.228 41.708 42.059 -0.204 0.000 0.910 540 L HN 0.117 nan 8.230 nan 0.000 0.439 541 R N 0.375 120.797 120.500 -0.129 0.000 2.377 541 R HA -0.209 4.131 4.340 -0.000 0.000 0.207 541 R C 1.916 178.172 176.300 -0.074 0.000 1.075 541 R CA 1.078 57.114 56.100 -0.106 0.000 1.035 541 R CB -0.048 30.212 30.300 -0.067 0.000 0.857 541 R HN 0.314 nan 8.270 nan 0.000 0.475 542 K N 0.318 120.676 120.400 -0.069 0.000 2.361 542 K HA -0.023 4.297 4.320 -0.000 0.000 0.196 542 K C 1.750 178.341 176.600 -0.015 0.000 1.039 542 K CA 0.801 57.070 56.287 -0.030 0.000 1.001 542 K CB 0.424 32.911 32.500 -0.022 0.000 0.795 542 K HN 0.207 nan 8.250 nan 0.000 0.495 543 V N -1.679 118.200 119.914 -0.058 0.000 2.825 543 V HA 0.018 4.137 4.120 -0.000 0.000 0.246 543 V C 1.781 177.861 176.094 -0.023 0.000 1.068 543 V CA 0.538 62.831 62.300 -0.013 0.000 1.088 543 V CB -0.342 31.458 31.823 -0.038 0.000 0.733 543 V HN 0.111 nan 8.190 nan 0.000 0.468 544 L N -0.062 121.056 121.223 -0.175 0.000 2.027 544 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 544 L C 2.978 179.944 176.870 0.159 0.000 1.074 544 L CA 1.998 56.699 54.840 -0.232 0.000 0.745 544 L CB -0.782 41.063 42.059 -0.356 0.000 0.898 544 L HN 0.336 nan 8.230 nan 0.000 0.433 545 Q N -0.284 119.566 119.800 0.084 0.000 2.439 545 Q HA -0.138 4.202 4.340 -0.000 0.000 0.211 545 Q C 2.132 178.235 176.000 0.172 0.000 0.978 545 Q CA 1.089 56.972 55.803 0.134 0.000 0.897 545 Q CB -0.032 28.746 28.738 0.067 0.000 0.956 545 Q HN 0.539 nan 8.270 nan 0.000 0.483 546 A N 0.358 123.283 122.820 0.175 0.000 2.072 546 A HA 0.208 4.528 4.320 -0.000 0.000 0.216 546 A C 1.406 179.090 177.584 0.167 0.000 1.156 546 A CA 0.928 53.051 52.037 0.144 0.000 0.701 546 A CB -0.494 18.573 19.000 0.111 0.000 0.816 546 A HN 0.440 nan 8.150 nan 0.000 0.458 547 G N -0.361 108.629 108.800 0.316 0.000 2.652 547 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.318 547 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.318 547 G C 1.172 176.090 174.900 0.029 0.000 1.295 547 G CA 1.244 46.466 45.100 0.203 0.000 0.999 547 G HN 1.300 nan 8.290 nan 0.000 0.548 548 S N 0.195 115.843 115.700 -0.086 0.000 2.540 548 S HA 0.245 4.714 4.470 -0.000 0.000 0.218 548 S C 2.381 176.969 174.600 -0.021 0.000 0.977 548 S CA 1.153 59.309 58.200 -0.074 0.000 0.918 548 S CB -0.502 62.627 63.200 -0.118 0.000 0.806 548 S HN 1.732 nan 8.310 nan 0.000 0.496 549 S N 1.944 117.644 115.700 -0.001 0.000 2.365 549 S HA -0.016 4.453 4.470 -0.000 0.000 0.221 549 S C 0.972 175.587 174.600 0.024 0.000 1.037 549 S CA 0.501 58.713 58.200 0.019 0.000 1.060 549 S CB -0.473 62.746 63.200 0.032 0.000 0.974 549 S HN 0.574 nan 8.310 nan 0.000 0.427 550 R N 2.079 122.593 120.500 0.024 0.000 2.536 550 R HA 0.525 4.865 4.340 -0.000 0.000 0.279 550 R C -2.896 173.410 176.300 0.010 0.000 1.001 550 R CA -2.371 53.740 56.100 0.018 0.000 1.027 550 R CB 0.361 30.675 30.300 0.024 0.000 1.096 550 R HN 0.229 nan 8.270 nan 0.000 0.502 551 P HA -0.121 nan 4.420 nan 0.000 0.263 551 P C 0.520 177.778 177.300 -0.069 0.000 1.195 551 P CA -0.003 63.063 63.100 -0.058 0.000 0.762 551 P CB 0.270 31.899 31.700 -0.119 0.000 0.799 552 W N 5.812 127.090 121.300 -0.037 0.000 2.318 552 W HA -0.274 4.386 4.660 -0.001 0.000 0.313 552 W C 1.136 177.757 176.519 0.170 0.000 1.221 552 W CA 1.427 58.737 57.345 -0.058 0.000 1.266 552 W CB -1.560 27.828 29.460 -0.120 0.000 1.150 552 W HN 0.383 nan 8.180 nan 0.000 0.496 553 Q N 1.178 120.453 119.800 -0.876 0.000 2.112 553 Q HA -0.239 4.100 4.340 -0.000 0.000 0.206 553 Q C 1.804 177.710 176.000 -0.157 0.000 0.987 553 Q CA 2.267 57.620 55.803 -0.751 0.000 0.858 553 Q CB -1.168 26.980 28.738 -0.983 0.000 0.905 553 Q HN 0.567 nan 8.270 nan 0.000 0.420 554 E N 0.814 120.940 120.200 -0.124 0.000 2.072 554 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 554 E C 2.327 178.973 176.600 0.076 0.000 0.982 554 E CA 1.207 57.596 56.400 -0.018 0.000 0.803 554 E CB -0.065 29.618 29.700 -0.029 0.000 0.755 554 E HN 0.166 nan 8.360 nan 0.000 0.453 555 V N 1.644 121.634 119.914 0.127 0.000 2.469 555 V HA -0.237 3.883 4.120 -0.000 0.000 0.251 555 V C 2.295 178.566 176.094 0.295 0.000 1.064 555 V CA 1.250 63.666 62.300 0.195 0.000 1.066 555 V CB -0.424 31.520 31.823 0.202 0.000 0.667 555 V HN 0.170 nan 8.190 nan 0.000 0.461 556 L N 0.304 121.778 121.223 0.418 0.000 2.044 556 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 556 L C 2.436 179.459 176.870 0.256 0.000 1.075 556 L CA 2.054 57.160 54.840 0.444 0.000 0.747 556 L CB -0.740 41.679 42.059 0.600 0.000 0.903 556 L HN 0.211 nan 8.230 nan 0.000 0.435 557 K N -0.737 119.773 120.400 0.183 0.000 2.218 557 K HA -0.224 4.096 4.320 -0.000 0.000 0.205 557 K C 1.432 178.091 176.600 0.099 0.000 1.046 557 K CA 1.862 58.220 56.287 0.118 0.000 0.933 557 K CB -0.042 32.500 32.500 0.069 0.000 0.728 557 K HN 0.384 nan 8.250 nan 0.000 0.454 558 D N -0.307 120.155 120.400 0.103 0.000 2.194 558 D HA -0.090 4.550 4.640 -0.000 0.000 0.204 558 D C 1.663 178.005 176.300 0.069 0.000 0.964 558 D CA 0.855 54.900 54.000 0.075 0.000 0.846 558 D CB 0.154 40.995 40.800 0.069 0.000 0.962 558 D HN 0.209 nan 8.370 nan 0.000 0.490 559 M N -0.245 119.411 119.600 0.094 0.000 2.299 559 M HA -0.025 4.455 4.480 -0.000 0.000 0.264 559 M C 1.120 177.466 176.300 0.077 0.000 1.095 559 M CA 1.046 56.380 55.300 0.057 0.000 1.165 559 M CB 0.475 33.090 32.600 0.024 0.000 1.349 559 M HN -0.130 nan 8.290 nan 0.000 0.446 560 V N -0.589 119.405 119.914 0.133 0.000 3.565 560 V HA 0.267 4.387 4.120 -0.000 0.000 0.260 560 V C 1.356 177.515 176.094 0.109 0.000 1.231 560 V CA 0.919 63.300 62.300 0.136 0.000 1.100 560 V CB 0.136 32.074 31.823 0.191 0.000 0.807 560 V HN 0.760 nan 8.190 nan 0.000 0.454 561 G N 0.657 109.520 108.800 0.104 0.000 2.141 561 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.242 561 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.242 561 G C -0.385 174.569 174.900 0.089 0.000 0.982 561 G CA 0.391 45.541 45.100 0.083 0.000 0.662 561 G HN 0.377 nan 8.290 nan 0.000 0.527 562 L N 0.277 121.570 121.223 0.117 0.000 2.362 562 L HA 0.726 5.065 4.340 -0.000 0.000 0.271 562 L C 0.694 177.646 176.870 0.136 0.000 1.002 562 L CA -0.633 54.278 54.840 0.118 0.000 0.818 562 L CB 1.733 43.869 42.059 0.129 0.000 1.298 562 L HN -0.009 nan 8.230 nan 0.000 0.420 563 D N 2.191 122.654 120.400 0.105 0.000 2.363 563 D HA 0.250 4.890 4.640 -0.000 0.000 0.226 563 D C -0.037 176.337 176.300 0.123 0.000 1.020 563 D CA 1.048 55.093 54.000 0.075 0.000 0.892 563 D CB 0.507 41.328 40.800 0.036 0.000 0.900 563 D HN 0.618 nan 8.370 nan 0.000 0.531 564 A N -0.985 121.979 122.820 0.239 0.000 2.483 564 A HA 0.435 4.754 4.320 -0.000 0.000 0.306 564 A C -1.294 176.501 177.584 0.351 0.000 1.137 564 A CA -0.693 51.590 52.037 0.410 0.000 0.626 564 A CB 0.060 19.260 19.000 0.333 0.000 1.352 564 A HN 0.046 nan 8.150 nan 0.000 0.508 565 L N 0.953 122.376 121.223 0.334 0.000 2.426 565 L HA 0.446 4.786 4.340 -0.000 0.000 0.271 565 L C -0.524 176.429 176.870 0.137 0.000 1.169 565 L CA 0.456 55.402 54.840 0.176 0.000 0.836 565 L CB 0.577 42.716 42.059 0.134 0.000 1.112 565 L HN 0.734 nan 8.230 nan 0.000 0.465 566 D N 0.708 121.165 120.400 0.095 0.000 2.927 566 D HA 0.451 5.091 4.640 -0.000 0.000 0.219 566 D C 0.020 176.364 176.300 0.072 0.000 1.248 566 D CA -0.274 53.781 54.000 0.092 0.000 0.861 566 D CB 1.988 42.848 40.800 0.100 0.000 1.677 566 D HN 0.417 nan 8.370 nan 0.000 0.511 567 A N 2.527 125.390 122.820 0.072 0.000 2.081 567 A HA 0.162 4.482 4.320 -0.000 0.000 0.214 567 A C 2.075 179.689 177.584 0.050 0.000 1.158 567 A CA 1.739 53.806 52.037 0.049 0.000 0.724 567 A CB -0.871 18.155 19.000 0.044 0.000 0.826 567 A HN 0.654 nan 8.150 nan 0.000 0.463 568 Q N 0.743 120.582 119.800 0.065 0.000 2.124 568 Q HA -0.259 4.081 4.340 -0.000 0.000 0.215 568 Q C 0.315 176.357 176.000 0.069 0.000 1.015 568 Q CA 2.531 58.373 55.803 0.065 0.000 0.890 568 Q CB -2.908 25.873 28.738 0.071 0.000 0.966 568 Q HN 0.680 nan 8.270 nan 0.000 0.412 569 P HA -0.097 nan 4.420 nan 0.000 0.218 569 P C 1.651 178.998 177.300 0.079 0.000 1.149 569 P CA 1.320 64.492 63.100 0.119 0.000 0.817 569 P CB -0.227 31.573 31.700 0.166 0.000 0.785 570 L N 0.139 121.353 121.223 -0.015 0.000 1.976 570 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 570 L C 2.612 179.457 176.870 -0.041 0.000 1.071 570 L CA 1.743 56.416 54.840 -0.279 0.000 0.746 570 L CB -1.722 40.209 42.059 -0.213 0.000 0.890 570 L HN -0.202 nan 8.230 nan 0.000 0.432 571 L N -0.333 120.908 121.223 0.031 0.000 2.021 571 L HA -0.321 4.018 4.340 -0.000 0.000 0.215 571 L C 2.673 179.597 176.870 0.090 0.000 1.074 571 L CA 1.974 56.858 54.840 0.075 0.000 0.760 571 L CB -0.781 41.306 42.059 0.046 0.000 0.889 571 L HN 0.301 nan 8.230 nan 0.000 0.433 572 K N -1.148 119.295 120.400 0.072 0.000 2.147 572 K HA -0.230 4.090 4.320 -0.000 0.000 0.205 572 K C 2.101 178.739 176.600 0.064 0.000 1.049 572 K CA 1.574 57.904 56.287 0.073 0.000 0.936 572 K CB -0.196 32.355 32.500 0.086 0.000 0.722 572 K HN 0.294 nan 8.250 nan 0.000 0.446 573 Y N -0.507 119.719 120.300 -0.124 0.000 2.263 573 Y HA -0.125 4.425 4.550 -0.000 0.000 0.292 573 Y C 1.217 176.842 175.900 -0.458 0.000 1.130 573 Y CA 1.308 59.243 58.100 -0.275 0.000 1.179 573 Y CB 0.191 38.341 38.460 -0.517 0.000 0.998 573 Y HN -0.082 nan 8.280 nan 0.000 0.532 574 F N -0.173 119.833 119.950 0.093 0.000 2.727 574 F HA 0.094 4.621 4.527 -0.001 0.000 0.302 574 F C 2.089 177.854 175.800 -0.058 0.000 1.097 574 F CA 0.023 58.028 58.000 0.007 0.000 1.330 574 F CB -0.252 38.751 39.000 0.004 0.000 1.084 574 F HN 0.006 nan 8.300 nan 0.000 0.578 575 Q N 0.982 120.825 119.800 0.072 0.000 2.103 575 Q HA -0.258 4.082 4.340 -0.000 0.000 0.213 575 Q C -0.602 175.420 176.000 0.036 0.000 1.008 575 Q CA 2.636 58.467 55.803 0.046 0.000 0.879 575 Q CB -1.192 27.561 28.738 0.026 0.000 0.946 575 Q HN 0.239 nan 8.270 nan 0.000 0.413 576 P HA -0.153 nan 4.420 nan 0.000 0.215 576 P C 1.269 178.624 177.300 0.093 0.000 1.153 576 P CA 1.062 64.172 63.100 0.017 0.000 0.853 576 P CB 0.031 31.698 31.700 -0.056 0.000 0.788 577 V N -1.244 118.721 119.914 0.085 0.000 2.951 577 V HA -0.112 4.008 4.120 -0.000 0.000 0.255 577 V C 1.981 178.167 176.094 0.153 0.000 1.088 577 V CA 2.021 64.420 62.300 0.164 0.000 1.109 577 V CB -1.262 30.638 31.823 0.129 0.000 0.724 577 V HN 0.138 nan 8.190 nan 0.000 0.471 578 T N 0.056 114.677 114.554 0.112 0.000 2.746 578 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 578 T C 1.808 176.530 174.700 0.036 0.000 1.039 578 T CA 1.672 63.808 62.100 0.059 0.000 1.142 578 T CB -0.124 68.779 68.868 0.059 0.000 0.866 578 T HN 0.514 nan 8.240 nan 0.000 0.444 579 Q N -0.894 118.945 119.800 0.065 0.000 2.212 579 Q HA -0.004 4.336 4.340 -0.000 0.000 0.199 579 Q C 2.032 178.058 176.000 0.043 0.000 0.950 579 Q CA 0.691 56.520 55.803 0.043 0.000 0.863 579 Q CB -0.355 28.418 28.738 0.058 0.000 0.944 579 Q HN 0.690 nan 8.270 nan 0.000 0.465 580 W N 1.729 122.995 121.300 -0.056 0.000 2.388 580 W HA -0.069 4.591 4.660 -0.000 0.000 0.294 580 W C 1.612 178.044 176.519 -0.144 0.000 1.212 580 W CA 0.947 58.251 57.345 -0.069 0.000 1.271 580 W CB -0.176 29.253 29.460 -0.051 0.000 1.126 580 W HN 0.007 nan 8.180 nan 0.000 0.535 581 L N 0.197 121.309 121.223 -0.184 0.000 2.005 581 L HA -0.237 4.102 4.340 -0.000 0.000 0.207 581 L C 2.808 179.460 176.870 -0.363 0.000 1.072 581 L CA 1.625 56.194 54.840 -0.451 0.000 0.744 581 L CB -1.055 40.869 42.059 -0.225 0.000 0.895 581 L HN 0.009 nan 8.230 nan 0.000 0.433 582 Q N -0.342 119.339 119.800 -0.199 0.000 2.077 582 Q HA -0.316 4.024 4.340 -0.000 0.000 0.206 582 Q C 2.118 178.009 176.000 -0.183 0.000 0.989 582 Q CA 2.209 57.923 55.803 -0.147 0.000 0.853 582 Q CB -0.083 28.602 28.738 -0.089 0.000 0.907 582 Q HN 0.333 nan 8.270 nan 0.000 0.418 583 E N 0.176 120.242 120.200 -0.224 0.000 2.077 583 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 583 E C 2.002 178.435 176.600 -0.278 0.000 0.989 583 E CA 1.294 57.564 56.400 -0.217 0.000 0.800 583 E CB 0.058 29.641 29.700 -0.195 0.000 0.746 583 E HN 0.231 nan 8.360 nan 0.000 0.452 584 Q N 0.379 119.895 119.800 -0.474 0.000 2.030 584 Q HA -0.151 4.188 4.340 -0.000 0.000 0.204 584 Q C 2.025 177.899 176.000 -0.210 0.000 0.986 584 Q CA 1.452 56.993 55.803 -0.435 0.000 0.843 584 Q CB -0.679 27.611 28.738 -0.746 0.000 0.904 584 Q HN 0.347 nan 8.270 nan 0.000 0.420 585 N N 1.175 119.772 118.700 -0.172 0.000 2.036 585 N HA -0.219 4.520 4.740 -0.000 0.000 0.195 585 N C 1.868 177.331 175.510 -0.079 0.000 1.037 585 N CA 1.964 54.968 53.050 -0.076 0.000 0.855 585 N CB -0.398 38.058 38.487 -0.052 0.000 1.033 585 N HN 0.384 nan 8.380 nan 0.000 0.423 586 Q N 1.251 120.996 119.800 -0.092 0.000 2.084 586 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 586 Q C 1.784 177.740 176.000 -0.072 0.000 0.978 586 Q CA 1.664 57.422 55.803 -0.076 0.000 0.844 586 Q CB -0.612 28.082 28.738 -0.073 0.000 0.898 586 Q HN 0.416 nan 8.270 nan 0.000 0.426 587 Q N -0.157 119.593 119.800 -0.084 0.000 2.124 587 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 587 Q C 1.549 177.512 176.000 -0.062 0.000 0.977 587 Q CA 1.316 57.077 55.803 -0.070 0.000 0.850 587 Q CB -0.098 28.594 28.738 -0.077 0.000 0.901 587 Q HN 0.565 nan 8.270 nan 0.000 0.429 588 N N -0.557 118.102 118.700 -0.068 0.000 2.467 588 N HA 0.003 4.743 4.740 -0.000 0.000 0.184 588 N C 0.510 175.979 175.510 -0.068 0.000 1.106 588 N CA 0.943 53.955 53.050 -0.064 0.000 0.892 588 N CB 0.816 39.265 38.487 -0.063 0.000 0.969 588 N HN 0.343 nan 8.380 nan 0.000 0.454 589 G N 1.712 110.474 108.800 -0.064 0.000 2.272 589 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 589 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 589 G C -0.200 174.660 174.900 -0.067 0.000 1.067 589 G CA 0.088 45.150 45.100 -0.063 0.000 0.902 589 G HN 0.317 nan 8.290 nan 0.000 0.500 590 E N -1.137 119.027 120.200 -0.061 0.000 2.349 590 E HA 0.551 4.901 4.350 -0.000 0.000 0.265 590 E C 0.507 177.080 176.600 -0.045 0.000 1.064 590 E CA -0.401 55.967 56.400 -0.055 0.000 0.886 590 E CB 1.311 30.990 29.700 -0.034 0.000 1.036 590 E HN 0.178 nan 8.360 nan 0.000 0.413 591 V N 4.556 124.447 119.914 -0.039 0.000 2.407 591 V HA 0.196 4.316 4.120 -0.000 0.000 0.278 591 V C -0.164 175.919 176.094 -0.018 0.000 1.037 591 V CA -0.523 61.754 62.300 -0.039 0.000 0.900 591 V CB 0.775 32.573 31.823 -0.042 0.000 0.983 591 V HN 0.528 nan 8.190 nan 0.000 0.459 592 L N 5.787 126.981 121.223 -0.048 0.000 2.290 592 L HA 0.719 5.059 4.340 -0.000 0.000 0.284 592 L C 0.939 177.710 176.870 -0.165 0.000 1.078 592 L CA 0.576 55.383 54.840 -0.055 0.000 0.815 592 L CB 0.542 42.556 42.059 -0.074 0.000 1.162 592 L HN 0.960 nan 8.230 nan 0.000 0.435 593 G N 3.191 111.862 108.800 -0.214 0.000 2.466 593 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.316 593 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.316 593 G C -1.748 172.991 174.900 -0.269 0.000 1.270 593 G CA -0.268 44.396 45.100 -0.727 0.000 0.982 593 G HN 0.815 nan 8.290 nan 0.000 0.506 594 W N -2.357 118.965 121.300 0.037 0.000 2.451 594 W HA 0.648 5.308 4.660 -0.000 0.000 0.285 594 W C -2.277 174.292 176.519 0.082 0.000 1.024 594 W CA -1.897 55.491 57.345 0.072 0.000 1.421 594 W CB 0.853 30.382 29.460 0.115 0.000 1.319 594 W HN 0.457 nan 8.180 nan 0.000 0.366 595 P HA -0.163 nan 4.420 nan 0.000 0.218 595 P C 0.457 177.750 177.300 -0.011 0.000 1.149 595 P CA 1.640 64.752 63.100 0.020 0.000 0.817 595 P CB 0.384 32.068 31.700 -0.028 0.000 0.785 596 E N -0.149 120.068 120.200 0.028 0.000 2.452 596 E HA -0.018 4.331 4.350 -0.000 0.000 0.293 596 E C 0.353 177.012 176.600 0.098 0.000 1.535 596 E CA -0.285 56.095 56.400 -0.032 0.000 1.816 596 E CB -0.564 29.151 29.700 0.024 0.000 1.494 596 E HN 0.469 nan 8.360 nan 0.000 0.464 597 Y N -0.516 119.944 120.300 0.267 0.000 2.639 597 Y HA -0.216 4.334 4.550 -0.000 0.000 0.289 597 Y C 1.655 177.717 175.900 0.269 0.000 1.155 597 Y CA 0.885 59.171 58.100 0.309 0.000 1.379 597 Y CB -0.549 38.074 38.460 0.271 0.000 0.967 597 Y HN 0.153 nan 8.280 nan 0.000 0.569 598 Q N -1.085 118.893 119.800 0.298 0.000 2.339 598 Q HA 0.008 4.348 4.340 -0.000 0.000 0.205 598 Q C 0.126 176.367 176.000 0.403 0.000 0.925 598 Q CA -0.218 55.806 55.803 0.368 0.000 0.898 598 Q CB -0.015 28.829 28.738 0.177 0.000 1.013 598 Q HN 0.575 nan 8.270 nan 0.000 0.504 599 W N 1.611 123.018 121.300 0.177 0.000 2.293 599 W HA -0.085 4.575 4.660 -0.000 0.000 0.342 599 W C -0.651 176.000 176.519 0.220 0.000 1.274 599 W CA 1.013 58.460 57.345 0.170 0.000 1.290 599 W CB 0.328 29.829 29.460 0.069 0.000 1.176 599 W HN 0.123 nan 8.180 nan 0.000 0.570 600 H N 5.525 123.863 119.070 -1.219 0.000 2.806 600 H HA 0.400 4.956 4.556 -0.001 0.000 0.367 600 H C -2.056 172.327 175.328 -1.576 0.000 1.136 600 H CA -1.898 53.434 56.048 -1.194 0.000 1.178 600 H CB 1.634 31.053 29.762 -0.571 0.000 1.718 600 H HN 0.173 nan 8.280 nan 0.000 0.540 601 P HA 0.163 nan 4.420 nan 0.000 0.276 601 P C -2.562 174.621 177.300 -0.196 0.000 1.244 601 P CA -1.366 61.422 63.100 -0.519 0.000 0.801 601 P CB 0.852 32.510 31.700 -0.070 0.000 1.006 602 P HA 0.259 nan 4.420 nan 0.000 0.277 602 P C -0.209 177.136 177.300 0.075 0.000 1.271 602 P CA -0.411 62.679 63.100 -0.016 0.000 0.795 602 P CB 0.865 32.547 31.700 -0.031 0.000 1.101 603 L N 1.142 122.389 121.223 0.039 0.000 2.380 603 L HA 0.228 4.567 4.340 -0.000 0.000 0.273 603 L C -1.807 175.119 176.870 0.094 0.000 1.138 603 L CA -1.879 52.972 54.840 0.019 0.000 0.832 603 L CB -0.287 41.776 42.059 0.007 0.000 1.124 603 L HN 0.263 nan 8.230 nan 0.000 0.454 604 P HA -0.119 nan 4.420 nan 0.000 0.261 604 P C 0.296 177.662 177.300 0.111 0.000 1.158 604 P CA 0.228 63.384 63.100 0.094 0.000 0.758 604 P CB 0.388 32.084 31.700 -0.007 0.000 0.763 605 D N 1.857 122.329 120.400 0.120 0.000 2.355 605 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 605 D C 0.412 176.774 176.300 0.104 0.000 1.014 605 D CA 1.678 55.733 54.000 0.091 0.000 0.862 605 D CB -0.207 40.636 40.800 0.073 0.000 0.986 605 D HN 0.390 nan 8.370 nan 0.000 0.456 606 N N 0.027 118.798 118.700 0.119 0.000 2.699 606 N HA 0.106 4.845 4.740 -0.000 0.000 0.232 606 N C -0.800 174.841 175.510 0.219 0.000 1.027 606 N CA -0.162 52.967 53.050 0.131 0.000 0.920 606 N CB 0.167 38.706 38.487 0.087 0.000 1.148 606 N HN 0.241 nan 8.380 nan 0.000 0.509 607 Y N 3.307 123.645 120.300 0.063 0.000 2.385 607 Y HA 0.136 4.686 4.550 -0.000 0.000 0.346 607 Y C -1.444 174.496 175.900 0.067 0.000 1.270 607 Y CA -0.634 57.514 58.100 0.080 0.000 1.472 607 Y CB 0.518 39.034 38.460 0.093 0.000 1.354 607 Y HN 0.483 nan 8.280 nan 0.000 0.611 608 P HA -0.306 nan 4.420 nan 0.000 0.299 608 P C -0.465 176.828 177.300 -0.011 0.000 1.970 608 P CA 1.806 64.832 63.100 -0.123 0.000 1.766 608 P CB -0.619 31.008 31.700 -0.122 0.000 0.236 609 E N -3.065 117.097 120.200 -0.063 0.000 2.586 609 E HA -0.132 4.218 4.350 -0.000 0.000 0.259 609 E C 0.770 177.362 176.600 -0.013 0.000 1.107 609 E CA 2.437 58.819 56.400 -0.029 0.000 0.754 609 E CB -2.048 27.657 29.700 0.007 0.000 1.335 609 E HN 0.924 nan 8.360 nan 0.000 0.411 610 G N -1.644 107.123 108.800 -0.056 0.000 2.782 610 G HA2 0.948 4.908 3.960 -0.000 0.000 0.201 610 G HA3 0.948 4.908 3.960 -0.000 0.000 0.201 610 G C 0.636 175.504 174.900 -0.053 0.000 1.374 610 G CA 0.486 45.570 45.100 -0.026 0.000 1.039 610 G HN 1.795 nan 8.290 nan 0.000 0.576 611 I N -0.364 120.188 120.570 -0.031 0.000 2.439 611 I HA 0.766 4.935 4.170 -0.000 0.000 0.283 611 I C -0.098 176.035 176.117 0.027 0.000 1.023 611 I CA 0.039 61.335 61.300 -0.006 0.000 1.100 611 I CB 0.552 38.566 38.000 0.023 0.000 1.238 611 I HN 1.156 nan 8.210 nan 0.000 0.445 612 D N 0.000 120.415 120.400 0.025 0.000 6.856 612 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 612 D CA 0.000 54.088 54.000 0.146 0.000 0.868 612 D CB 0.000 40.895 40.800 0.158 0.000 0.688 612 D HN 0.000 nan 8.370 nan 0.000 0.683