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 1i8b_1_B DATA FIRST_RESID 2 DATA SEQUENCE VSVSEIRKAQ RAEGPATILA IGTANPANCV EQSTYPDFYF KITNSEHKTE DATA SEQUENCE LKEKFQRMCD KSMIKRRYMY LTEEILKENP NVCEYMAPSL DARQDMVVVE DATA SEQUENCE VPRLGKEAAV KAIKEWGQPK SKITHLIVCT TSGVDMPGAD YQLTKLLGLR DATA SEQUENCE PYVKRYMMYQ QGXFAGGTVL RLAKDLAENN KGARVLVVCS EVTAVTFRGP DATA SEQUENCE SDTHLDSLVG QALFGDGAAA LIVGSDPVPE IEKPIFEMVW TAQTIAPDSE DATA SEQUENCE GAIDFHLREA GLTFHLLKDV PGIVSKNITK ALVEAFEPLG ISDYNSIFWI DATA SEQUENCE AHPGGPAILD QVEQKLALKP EKMNATREVL SEYGNMSSAC VLFILDEMRK DATA SEQUENCE KSTQNGLKTT GEGLEWGVLF GFGPGLTIET VVLRSVAI 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 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.095 176.094 0.002 0.000 1.182 2 V CA 0.000 62.301 62.300 0.001 0.000 1.235 2 V CB 0.000 31.823 31.823 0.001 0.000 1.184 3 S N 3.278 118.980 115.700 0.002 0.000 2.430 3 S HA 0.458 4.928 4.470 -0.000 0.000 0.289 3 S C 0.919 175.521 174.600 0.004 0.000 1.143 3 S CA -0.273 57.929 58.200 0.003 0.000 1.067 3 S CB 1.564 64.766 63.200 0.003 0.000 0.964 3 S HN 0.566 nan 8.310 nan 0.000 0.485 4 V N 5.314 125.230 119.914 0.004 0.000 2.427 4 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 4 V C 2.692 178.789 176.094 0.006 0.000 1.051 4 V CA 2.171 64.474 62.300 0.005 0.000 1.048 4 V CB -0.939 30.887 31.823 0.005 0.000 0.666 4 V HN 1.012 nan 8.190 nan 0.000 0.456 5 S N -0.161 115.542 115.700 0.005 0.000 2.402 5 S HA -0.201 4.269 4.470 -0.000 0.000 0.229 5 S C 1.749 176.353 174.600 0.006 0.000 1.021 5 S CA 1.439 59.643 58.200 0.006 0.000 0.974 5 S CB -0.386 62.817 63.200 0.005 0.000 0.800 5 S HN 0.718 nan 8.310 nan 0.000 0.484 6 E N 1.125 121.328 120.200 0.006 0.000 2.072 6 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 6 E C 2.034 178.639 176.600 0.007 0.000 0.985 6 E CA 1.385 57.789 56.400 0.006 0.000 0.801 6 E CB -0.380 29.323 29.700 0.005 0.000 0.750 6 E HN 0.572 nan 8.360 nan 0.000 0.452 7 I N 0.772 121.346 120.570 0.007 0.000 2.179 7 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 7 I C 2.685 178.809 176.117 0.011 0.000 1.088 7 I CA 1.036 62.341 61.300 0.008 0.000 1.357 7 I CB -0.136 37.869 38.000 0.008 0.000 1.051 7 I HN -0.009 nan 8.210 nan 0.000 0.409 8 R N 1.587 122.093 120.500 0.010 0.000 2.073 8 R HA -0.233 4.107 4.340 -0.000 0.000 0.234 8 R C 2.217 178.523 176.300 0.011 0.000 1.134 8 R CA 1.952 58.059 56.100 0.011 0.000 0.952 8 R CB -0.344 29.961 30.300 0.009 0.000 0.850 8 R HN 0.166 nan 8.270 nan 0.000 0.433 9 K N -0.183 120.223 120.400 0.010 0.000 2.032 9 K HA -0.084 4.236 4.320 -0.000 0.000 0.209 9 K C 1.754 178.360 176.600 0.011 0.000 1.048 9 K CA 1.942 58.234 56.287 0.010 0.000 0.927 9 K CB -0.487 32.018 32.500 0.008 0.000 0.712 9 K HN 0.237 nan 8.250 nan 0.000 0.441 10 A N 0.240 123.067 122.820 0.012 0.000 2.066 10 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 10 A C 2.062 179.656 177.584 0.017 0.000 1.157 10 A CA 1.369 53.414 52.037 0.013 0.000 0.670 10 A CB -0.437 18.570 19.000 0.012 0.000 0.804 10 A HN 0.599 nan 8.150 nan 0.000 0.453 11 Q N -0.073 119.738 119.800 0.018 0.000 2.269 11 Q HA -0.044 4.296 4.340 -0.000 0.000 0.201 11 Q C 1.017 177.033 176.000 0.026 0.000 0.946 11 Q CA 0.153 55.970 55.803 0.024 0.000 0.877 11 Q CB 0.063 28.817 28.738 0.025 0.000 0.963 11 Q HN 0.784 nan 8.270 nan 0.000 0.472 12 R N -0.378 120.133 120.500 0.019 0.000 2.500 12 R HA 0.628 4.968 4.340 -0.000 0.000 0.277 12 R C -0.607 175.701 176.300 0.013 0.000 1.026 12 R CA -0.098 56.011 56.100 0.014 0.000 1.058 12 R CB 0.971 31.276 30.300 0.009 0.000 1.078 12 R HN -0.033 nan 8.270 nan 0.000 0.509 13 A N 1.203 124.028 122.820 0.007 0.000 2.280 13 A HA 0.109 4.429 4.320 -0.000 0.000 0.268 13 A C 0.529 178.117 177.584 0.006 0.000 1.111 13 A CA -0.229 51.812 52.037 0.007 0.000 0.814 13 A CB 0.610 19.608 19.000 -0.002 0.000 1.093 13 A HN 0.952 nan 8.150 nan 0.000 0.498 14 E N -0.850 119.355 120.200 0.009 0.000 2.228 14 E HA 0.240 4.590 4.350 -0.000 0.000 0.197 14 E C 0.957 177.563 176.600 0.011 0.000 0.909 14 E CA 1.075 57.481 56.400 0.010 0.000 0.911 14 E CB -0.107 29.600 29.700 0.013 0.000 0.887 14 E HN 0.800 nan 8.360 nan 0.000 0.481 15 G N 0.779 109.586 108.800 0.011 0.000 2.552 15 G HA2 0.493 4.453 3.960 -0.000 0.000 0.318 15 G HA3 0.493 4.453 3.960 -0.000 0.000 0.318 15 G C -2.464 172.442 174.900 0.011 0.000 1.240 15 G CA -1.397 43.711 45.100 0.014 0.000 1.002 15 G HN 0.033 nan 8.290 nan 0.000 0.493 16 P HA 0.265 nan 4.420 nan 0.000 0.268 16 P C -0.052 177.251 177.300 0.006 0.000 1.205 16 P CA 0.031 63.142 63.100 0.020 0.000 0.771 16 P CB 0.821 32.545 31.700 0.040 0.000 0.858 17 A N 3.299 126.114 122.820 -0.008 0.000 2.520 17 A HA 0.361 4.681 4.320 -0.000 0.000 0.245 17 A C 0.357 177.937 177.584 -0.006 0.000 1.072 17 A CA 0.553 52.573 52.037 -0.028 0.000 0.761 17 A CB -0.581 18.386 19.000 -0.054 0.000 1.004 17 A HN 0.530 nan 8.150 nan 0.000 0.499 18 T N 3.055 117.601 114.554 -0.014 0.000 2.861 18 T HA 0.456 4.806 4.350 -0.000 0.000 0.287 18 T C -0.016 174.679 174.700 -0.008 0.000 1.003 18 T CA -0.200 61.904 62.100 0.008 0.000 0.977 18 T CB 0.904 69.775 68.868 0.006 0.000 0.996 18 T HN 0.470 nan 8.240 nan 0.000 0.448 19 I N 3.843 124.432 120.570 0.031 0.000 2.517 19 I HA 0.128 4.298 4.170 -0.000 0.000 0.285 19 I C 0.827 176.942 176.117 -0.003 0.000 1.106 19 I CA 0.140 61.454 61.300 0.023 0.000 1.402 19 I CB 0.547 38.618 38.000 0.118 0.000 1.399 19 I HN 0.570 nan 8.210 nan 0.000 0.535 20 L N 6.518 127.708 121.223 -0.055 0.000 2.701 20 L HA 0.501 4.841 4.340 -0.000 0.000 0.238 20 L C 0.519 177.388 176.870 -0.003 0.000 1.106 20 L CA 0.021 54.846 54.840 -0.026 0.000 0.898 20 L CB 0.287 42.316 42.059 -0.050 0.000 1.188 20 L HN 0.734 nan 8.230 nan 0.000 0.508 21 A N 0.672 123.465 122.820 -0.045 0.000 2.582 21 A HA 0.728 5.048 4.320 -0.000 0.000 0.297 21 A C -1.468 176.091 177.584 -0.042 0.000 1.059 21 A CA -0.337 51.691 52.037 -0.014 0.000 0.705 21 A CB 1.181 20.199 19.000 0.029 0.000 1.279 21 A HN 0.032 nan 8.150 nan 0.000 0.404 22 I N 0.904 121.453 120.570 -0.035 0.000 2.619 22 I HA 0.708 4.878 4.170 -0.000 0.000 0.292 22 I C 0.327 176.389 176.117 -0.091 0.000 1.100 22 I CA -0.636 60.626 61.300 -0.064 0.000 1.043 22 I CB 2.734 40.707 38.000 -0.044 0.000 1.239 22 I HN 0.916 nan 8.210 nan 0.000 0.420 23 G N 2.432 111.151 108.800 -0.135 0.000 2.682 23 G HA2 0.710 4.670 3.960 -0.000 0.000 0.300 23 G HA3 0.710 4.670 3.960 -0.000 0.000 0.300 23 G C -1.014 173.731 174.900 -0.257 0.000 1.391 23 G CA -0.492 44.515 45.100 -0.155 0.000 0.990 23 G HN 0.613 nan 8.290 nan 0.000 0.501 24 T N -1.656 112.698 114.554 -0.332 0.000 2.916 24 T HA 0.917 5.267 4.350 -0.000 0.000 0.292 24 T C -0.312 174.233 174.700 -0.258 0.000 1.064 24 T CA -0.330 61.460 62.100 -0.518 0.000 1.011 24 T CB 2.199 70.347 68.868 -1.200 0.000 1.152 24 T HN 1.992 nan 8.240 nan 0.000 0.510 25 A N 1.477 124.217 122.820 -0.134 0.000 2.594 25 A HA 0.841 5.161 4.320 -0.000 0.000 0.295 25 A C -1.390 176.237 177.584 0.072 0.000 1.071 25 A CA -1.086 50.938 52.037 -0.022 0.000 0.685 25 A CB 1.367 20.356 19.000 -0.017 0.000 1.285 25 A HN 0.931 nan 8.150 nan 0.000 0.405 26 N N 0.126 118.839 118.700 0.021 0.000 2.416 26 N HA 0.707 5.447 4.740 -0.000 0.000 0.276 26 N C -3.147 172.396 175.510 0.055 0.000 1.261 26 N CA -1.207 51.857 53.050 0.022 0.000 0.790 26 N CB 2.006 40.369 38.487 -0.207 0.000 1.554 26 N HN 0.406 nan 8.380 nan 0.000 0.481 27 P HA 0.130 nan 4.420 nan 0.000 0.271 27 P C -0.055 177.365 177.300 0.200 0.000 1.218 27 P CA -0.223 62.985 63.100 0.179 0.000 0.780 27 P CB 0.656 32.498 31.700 0.236 0.000 0.901 28 A N 2.582 125.494 122.820 0.154 0.000 1.978 28 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 28 A C 1.219 178.926 177.584 0.205 0.000 1.170 28 A CA 1.196 53.328 52.037 0.158 0.000 0.636 28 A CB -1.155 17.902 19.000 0.095 0.000 0.810 28 A HN 0.653 nan 8.150 nan 0.000 0.448 29 N N 0.000 118.797 118.700 0.161 0.000 2.406 29 N HA 0.121 4.861 4.740 -0.000 0.000 0.265 29 N C -0.704 174.842 175.510 0.059 0.000 1.203 29 N CA -0.063 53.040 53.050 0.089 0.000 0.945 29 N CB -0.039 38.468 38.487 0.033 0.000 1.165 29 N HN 0.289 nan 8.380 nan 0.000 0.485 30 C N 4.860 124.142 119.300 -0.030 0.000 2.325 30 C HA 0.523 4.983 4.460 -0.000 0.000 0.347 30 C C -0.291 174.544 174.990 -0.257 0.000 1.263 30 C CA -0.555 58.294 59.018 -0.280 0.000 1.806 30 C CB -0.962 26.630 27.740 -0.247 0.000 2.405 30 C HN 0.488 nan 8.230 nan 0.000 0.537 31 V N 7.691 127.419 119.914 -0.310 0.000 2.334 31 V HA 0.328 4.448 4.120 -0.000 0.000 0.281 31 V C 0.074 176.034 176.094 -0.224 0.000 1.016 31 V CA -0.391 61.768 62.300 -0.236 0.000 0.832 31 V CB 1.128 32.835 31.823 -0.193 0.000 0.999 31 V HN 0.781 nan 8.190 nan 0.000 0.439 32 E N 2.822 122.932 120.200 -0.150 0.000 2.376 32 E HA 0.033 4.383 4.350 -0.000 0.000 0.266 32 E C 0.702 177.272 176.600 -0.050 0.000 1.009 32 E CA 0.086 56.422 56.400 -0.107 0.000 0.902 32 E CB 1.567 31.230 29.700 -0.062 0.000 0.972 32 E HN 0.671 nan 8.360 nan 0.000 0.439 33 Q N 2.439 122.191 119.800 -0.079 0.000 2.083 33 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 33 Q C 1.852 177.865 176.000 0.022 0.000 0.969 33 Q CA 1.979 57.752 55.803 -0.049 0.000 0.838 33 Q CB -0.105 28.567 28.738 -0.110 0.000 0.900 33 Q HN 0.594 nan 8.270 nan 0.000 0.436 34 S N -1.028 114.671 115.700 -0.001 0.000 2.387 34 S HA -0.172 4.298 4.470 -0.000 0.000 0.230 34 S C 1.791 176.425 174.600 0.056 0.000 1.035 34 S CA 1.589 59.795 58.200 0.010 0.000 1.014 34 S CB -0.986 62.211 63.200 -0.005 0.000 0.836 34 S HN 0.554 nan 8.310 nan 0.000 0.466 35 T N -3.187 111.422 114.554 0.092 0.000 3.145 35 T HA 0.279 4.629 4.350 -0.000 0.000 0.255 35 T C 1.085 175.937 174.700 0.252 0.000 1.039 35 T CA -0.351 61.831 62.100 0.136 0.000 0.928 35 T CB -0.477 68.453 68.868 0.105 0.000 1.029 35 T HN 0.316 nan 8.240 nan 0.000 0.554 36 Y N 3.400 123.783 120.300 0.140 0.000 2.145 36 Y HA 0.066 4.616 4.550 -0.000 0.000 0.286 36 Y C -1.004 175.193 175.900 0.495 0.000 1.145 36 Y CA 0.981 59.253 58.100 0.286 0.000 1.148 36 Y CB -1.227 37.360 38.460 0.213 0.000 0.981 36 Y HN 0.219 nan 8.280 nan 0.000 0.507 37 P HA -0.178 nan 4.420 nan 0.000 0.214 37 P C 1.357 178.882 177.300 0.374 0.000 1.169 37 P CA 2.385 65.790 63.100 0.509 0.000 0.908 37 P CB -0.000 31.857 31.700 0.262 0.000 0.791 38 D N -1.655 118.884 120.400 0.230 0.000 2.104 38 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 38 D C 1.787 178.207 176.300 0.200 0.000 0.994 38 D CA 1.095 55.203 54.000 0.179 0.000 0.830 38 D CB -0.955 39.930 40.800 0.143 0.000 0.959 38 D HN 0.128 nan 8.370 nan 0.000 0.452 39 F N 0.140 120.146 119.950 0.093 0.000 2.146 39 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 39 F C 2.338 178.145 175.800 0.012 0.000 1.096 39 F CA 1.129 59.163 58.000 0.056 0.000 1.275 39 F CB -0.415 38.636 39.000 0.085 0.000 1.008 39 F HN -0.029 nan 8.300 nan 0.000 0.480 40 Y N -0.537 119.687 120.300 -0.127 0.000 2.220 40 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 40 Y C 1.896 177.677 175.900 -0.198 0.000 1.129 40 Y CA 1.717 59.647 58.100 -0.283 0.000 1.161 40 Y CB -0.836 37.296 38.460 -0.546 0.000 0.997 40 Y HN 0.037 nan 8.280 nan 0.000 0.522 41 F N 0.744 120.557 119.950 -0.229 0.000 2.293 41 F HA -0.067 4.460 4.527 -0.000 0.000 0.300 41 F C 2.062 177.694 175.800 -0.279 0.000 1.086 41 F CA 1.475 59.292 58.000 -0.304 0.000 1.375 41 F CB -0.248 38.681 39.000 -0.119 0.000 1.045 41 F HN -0.001 nan 8.300 nan 0.000 0.516 42 K N -0.654 119.676 120.400 -0.117 0.000 2.211 42 K HA 0.002 4.322 4.320 -0.000 0.000 0.201 42 K C 1.830 178.272 176.600 -0.263 0.000 1.052 42 K CA 0.466 56.662 56.287 -0.151 0.000 0.973 42 K CB -0.187 32.254 32.500 -0.099 0.000 0.766 42 K HN 0.080 nan 8.250 nan 0.000 0.466 43 I N 1.162 121.481 120.570 -0.418 0.000 2.676 43 I HA -0.156 4.014 4.170 -0.000 0.000 0.259 43 I C 1.424 177.382 176.117 -0.265 0.000 1.194 43 I CA 1.290 62.361 61.300 -0.381 0.000 1.473 43 I CB -0.071 37.609 38.000 -0.533 0.000 1.096 43 I HN 0.192 nan 8.210 nan 0.000 0.443 44 T N -3.361 110.974 114.554 -0.366 0.000 3.105 44 T HA 0.206 4.556 4.350 -0.000 0.000 0.253 44 T C 0.775 175.313 174.700 -0.271 0.000 1.047 44 T CA 0.111 61.996 62.100 -0.359 0.000 0.944 44 T CB -0.635 67.807 68.868 -0.709 0.000 1.016 44 T HN 0.291 nan 8.240 nan 0.000 0.544 45 N N 0.732 119.311 118.700 -0.202 0.000 2.740 45 N HA -0.146 4.594 4.740 -0.000 0.000 0.248 45 N C 0.061 175.520 175.510 -0.086 0.000 1.062 45 N CA 0.939 53.930 53.050 -0.098 0.000 0.704 45 N CB -1.533 36.929 38.487 -0.042 0.000 0.968 45 N HN 0.507 nan 8.380 nan 0.000 0.547 46 S N -1.241 114.337 115.700 -0.203 0.000 2.664 46 S HA 0.148 4.618 4.470 -0.000 0.000 0.245 46 S C 1.227 175.780 174.600 -0.079 0.000 1.019 46 S CA -0.685 57.343 58.200 -0.286 0.000 0.996 46 S CB 0.719 63.579 63.200 -0.565 0.000 0.878 46 S HN 0.207 nan 8.310 nan 0.000 0.493 47 E N 2.595 122.813 120.200 0.030 0.000 2.097 47 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 47 E C 1.884 178.513 176.600 0.048 0.000 1.000 47 E CA 1.381 57.828 56.400 0.079 0.000 0.804 47 E CB -0.390 29.355 29.700 0.076 0.000 0.740 47 E HN 0.850 nan 8.360 nan 0.000 0.454 48 H N 0.417 119.521 119.070 0.057 0.000 2.489 48 H HA -0.003 4.553 4.556 -0.000 0.000 0.293 48 H C 0.165 175.526 175.328 0.055 0.000 1.066 48 H CA 0.700 56.772 56.048 0.040 0.000 1.305 48 H CB -0.120 29.654 29.762 0.021 0.000 1.386 48 H HN -0.103 nan 8.280 nan 0.000 0.551 49 K N 2.335 122.542 120.400 -0.322 0.000 2.111 49 K HA 0.093 4.413 4.320 -0.000 0.000 0.249 49 K C 0.281 176.877 176.600 -0.007 0.000 1.157 49 K CA 0.001 56.210 56.287 -0.130 0.000 1.048 49 K CB 0.761 33.169 32.500 -0.154 0.000 1.498 49 K HN 0.225 nan 8.250 nan 0.000 0.344 50 T N 1.018 115.569 114.554 -0.005 0.000 2.894 50 T HA -0.066 4.284 4.350 -0.000 0.000 0.258 50 T C 1.594 176.274 174.700 -0.033 0.000 1.043 50 T CA 0.818 62.901 62.100 -0.029 0.000 1.141 50 T CB 0.197 69.059 68.868 -0.009 0.000 0.873 50 T HN 0.490 nan 8.240 nan 0.000 0.449 51 E N 0.620 120.816 120.200 -0.006 0.000 2.077 51 E HA -0.095 4.254 4.350 -0.000 0.000 0.193 51 E C 2.146 178.747 176.600 0.003 0.000 0.989 51 E CA 0.780 57.178 56.400 -0.003 0.000 0.800 51 E CB -0.201 29.503 29.700 0.007 0.000 0.746 51 E HN 0.191 nan 8.360 nan 0.000 0.452 52 L N 1.849 123.092 121.223 0.034 0.000 2.042 52 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 52 L C 2.288 179.187 176.870 0.049 0.000 1.076 52 L CA 1.837 56.741 54.840 0.107 0.000 0.749 52 L CB -0.338 41.840 42.059 0.198 0.000 0.893 52 L HN -0.064 nan 8.230 nan 0.000 0.432 53 K N -0.684 119.576 120.400 -0.233 0.000 2.097 53 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 53 K C 1.935 178.341 176.600 -0.323 0.000 1.050 53 K CA 1.551 57.357 56.287 -0.801 0.000 0.938 53 K CB -0.021 31.944 32.500 -0.891 0.000 0.718 53 K HN 0.479 nan 8.250 nan 0.000 0.442 54 E N 0.477 120.585 120.200 -0.153 0.000 2.047 54 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 54 E C 1.960 178.548 176.600 -0.020 0.000 0.987 54 E CA 1.281 57.637 56.400 -0.074 0.000 0.799 54 E CB 0.130 29.802 29.700 -0.046 0.000 0.752 54 E HN 0.276 nan 8.360 nan 0.000 0.449 55 K N 0.181 120.593 120.400 0.019 0.000 2.057 55 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 55 K C 2.071 178.754 176.600 0.138 0.000 1.049 55 K CA 1.073 57.402 56.287 0.069 0.000 0.931 55 K CB -0.276 32.277 32.500 0.089 0.000 0.714 55 K HN 0.078 nan 8.250 nan 0.000 0.440 56 F N 2.750 122.707 119.950 0.012 0.000 2.146 56 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 56 F C 2.650 178.462 175.800 0.021 0.000 1.096 56 F CA 1.541 59.584 58.000 0.071 0.000 1.275 56 F CB -0.398 38.728 39.000 0.210 0.000 1.008 56 F HN -0.012 nan 8.300 nan 0.000 0.480 57 Q N 0.734 120.539 119.800 0.008 0.000 2.077 57 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 57 Q C 2.483 178.422 176.000 -0.102 0.000 0.989 57 Q CA 2.274 58.027 55.803 -0.083 0.000 0.853 57 Q CB -0.502 28.203 28.738 -0.055 0.000 0.907 57 Q HN 0.420 nan 8.270 nan 0.000 0.418 58 R N -0.834 119.631 120.500 -0.059 0.000 2.081 58 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 58 R C 2.285 178.536 176.300 -0.080 0.000 1.131 58 R CA 1.761 57.828 56.100 -0.055 0.000 0.960 58 R CB -0.198 30.087 30.300 -0.025 0.000 0.856 58 R HN 0.395 nan 8.270 nan 0.000 0.436 59 M N -0.560 118.985 119.600 -0.092 0.000 2.080 59 M HA -0.276 4.204 4.480 -0.000 0.000 0.260 59 M C 2.566 178.743 176.300 -0.204 0.000 1.068 59 M CA 1.648 56.876 55.300 -0.119 0.000 1.109 59 M CB -0.354 32.198 32.600 -0.080 0.000 1.342 59 M HN 0.325 nan 8.290 nan 0.000 0.405 60 C N 0.386 119.485 119.300 -0.336 0.000 2.440 60 C HA -0.135 4.325 4.460 -0.000 0.000 0.278 60 C C 2.241 177.125 174.990 -0.177 0.000 1.295 60 C CA 0.859 59.686 59.018 -0.319 0.000 1.738 60 C CB -1.015 26.483 27.740 -0.404 0.000 1.987 60 C HN 0.535 nan 8.230 nan 0.000 0.492 61 D N 0.443 120.760 120.400 -0.138 0.000 2.144 61 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 61 D C 2.142 178.393 176.300 -0.080 0.000 0.978 61 D CA 1.192 55.138 54.000 -0.091 0.000 0.833 61 D CB -0.280 40.478 40.800 -0.070 0.000 0.961 61 D HN 0.459 nan 8.370 nan 0.000 0.470 62 K N 0.139 120.490 120.400 -0.082 0.000 2.400 62 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 62 K C 1.974 178.529 176.600 -0.075 0.000 1.033 62 K CA 0.285 56.532 56.287 -0.067 0.000 1.021 62 K CB 0.285 32.752 32.500 -0.055 0.000 0.808 62 K HN 0.025 nan 8.250 nan 0.000 0.505 63 S N 0.806 116.447 115.700 -0.099 0.000 2.419 63 S HA -0.184 4.286 4.470 -0.000 0.000 0.235 63 S C 1.111 175.654 174.600 -0.094 0.000 1.019 63 S CA 1.035 59.172 58.200 -0.106 0.000 0.982 63 S CB -0.244 62.871 63.200 -0.141 0.000 0.789 63 S HN 0.292 nan 8.310 nan 0.000 0.490 64 M N -0.758 118.791 119.600 -0.084 0.000 2.818 64 M HA -0.120 4.360 4.480 -0.000 0.000 0.204 64 M C -0.646 175.607 176.300 -0.080 0.000 0.552 64 M CA 0.582 55.840 55.300 -0.071 0.000 0.687 64 M CB -2.612 29.953 32.600 -0.057 0.000 2.512 64 M HN 0.479 nan 8.290 nan 0.000 0.563 65 I N -0.040 120.471 120.570 -0.099 0.000 2.354 65 I HA 0.163 4.333 4.170 -0.000 0.000 0.292 65 I C 1.423 177.471 176.117 -0.114 0.000 0.989 65 I CA -0.374 60.859 61.300 -0.111 0.000 1.188 65 I CB 1.621 39.539 38.000 -0.137 0.000 1.342 65 I HN 0.154 nan 8.210 nan 0.000 0.457 66 K N 5.575 125.906 120.400 -0.114 0.000 2.166 66 K HA 0.132 4.452 4.320 -0.000 0.000 0.201 66 K C 0.334 176.845 176.600 -0.147 0.000 1.052 66 K CA 0.719 56.937 56.287 -0.114 0.000 0.969 66 K CB 0.358 32.797 32.500 -0.103 0.000 0.761 66 K HN 0.602 nan 8.250 nan 0.000 0.459 67 R N -0.073 120.313 120.500 -0.190 0.000 2.692 67 R HA 0.455 4.795 4.340 -0.000 0.000 0.269 67 R C -1.296 174.830 176.300 -0.290 0.000 1.030 67 R CA -0.922 55.021 56.100 -0.262 0.000 0.882 67 R CB 1.559 31.671 30.300 -0.314 0.000 1.250 67 R HN -0.158 nan 8.270 nan 0.000 0.465 68 R N 0.572 120.860 120.500 -0.353 0.000 2.837 68 R HA 0.435 4.775 4.340 -0.000 0.000 0.271 68 R C -1.360 174.700 176.300 -0.400 0.000 0.993 68 R CA -0.875 55.077 56.100 -0.248 0.000 0.931 68 R CB 2.013 32.218 30.300 -0.158 0.000 1.206 68 R HN 0.506 nan 8.270 nan 0.000 0.474 69 Y N 1.314 121.638 120.300 0.039 0.000 2.341 69 Y HA 0.488 5.038 4.550 -0.000 0.000 0.337 69 Y C 0.259 176.206 175.900 0.078 0.000 1.014 69 Y CA -0.429 57.712 58.100 0.067 0.000 1.111 69 Y CB 1.558 40.093 38.460 0.125 0.000 1.194 69 Y HN 0.185 nan 8.280 nan 0.000 0.462 70 M N 2.852 122.562 119.600 0.184 0.000 2.326 70 M HA 0.167 4.647 4.480 -0.000 0.000 0.292 70 M C -0.082 176.335 176.300 0.194 0.000 1.081 70 M CA -0.825 54.583 55.300 0.181 0.000 0.919 70 M CB 2.035 34.716 32.600 0.134 0.000 1.634 70 M HN 0.881 nan 8.290 nan 0.000 0.451 71 Y N 3.362 123.715 120.300 0.088 0.000 2.263 71 Y HA 0.176 4.726 4.550 -0.000 0.000 0.292 71 Y C 0.168 176.095 175.900 0.044 0.000 1.130 71 Y CA 0.954 59.093 58.100 0.066 0.000 1.179 71 Y CB 0.319 38.815 38.460 0.059 0.000 0.998 71 Y HN 0.534 nan 8.280 nan 0.000 0.532 72 L N 3.114 124.413 121.223 0.126 0.000 2.513 72 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 72 L C 0.608 177.431 176.870 -0.078 0.000 1.187 72 L CA 0.313 55.121 54.840 -0.054 0.000 0.895 72 L CB 0.279 42.309 42.059 -0.048 0.000 1.147 72 L HN 0.326 nan 8.230 nan 0.000 0.483 73 T N -1.825 112.654 114.554 -0.125 0.000 2.938 73 T HA 0.215 4.565 4.350 -0.000 0.000 0.285 73 T C 0.751 175.480 174.700 0.048 0.000 1.028 73 T CA -0.806 61.279 62.100 -0.025 0.000 1.005 73 T CB 1.765 70.593 68.868 -0.067 0.000 1.157 73 T HN 0.639 nan 8.240 nan 0.000 0.550 74 E N 0.028 120.323 120.200 0.158 0.000 2.077 74 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 74 E C 1.899 178.518 176.600 0.031 0.000 0.989 74 E CA 1.290 57.782 56.400 0.153 0.000 0.800 74 E CB -0.039 29.807 29.700 0.243 0.000 0.746 74 E HN 0.823 nan 8.360 nan 0.000 0.452 75 E N 0.205 120.415 120.200 0.016 0.000 2.077 75 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 75 E C 2.084 178.665 176.600 -0.032 0.000 0.989 75 E CA 1.215 57.608 56.400 -0.011 0.000 0.800 75 E CB -0.041 29.650 29.700 -0.015 0.000 0.746 75 E HN 0.360 nan 8.360 nan 0.000 0.452 76 I N 0.669 121.205 120.570 -0.058 0.000 2.202 76 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 76 I C 2.335 178.419 176.117 -0.056 0.000 1.091 76 I CA 0.831 62.090 61.300 -0.069 0.000 1.368 76 I CB -0.183 37.739 38.000 -0.131 0.000 1.058 76 I HN 0.188 nan 8.210 nan 0.000 0.410 77 L N 0.918 122.094 121.223 -0.079 0.000 2.083 77 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 77 L C 2.531 179.369 176.870 -0.054 0.000 1.083 77 L CA 1.271 56.056 54.840 -0.091 0.000 0.752 77 L CB -0.647 41.318 42.059 -0.156 0.000 0.899 77 L HN 0.314 nan 8.230 nan 0.000 0.433 78 K N 0.256 120.629 120.400 -0.045 0.000 2.217 78 K HA -0.140 4.180 4.320 -0.000 0.000 0.202 78 K C 1.450 178.037 176.600 -0.022 0.000 1.051 78 K CA 1.236 57.502 56.287 -0.035 0.000 0.952 78 K CB -0.558 31.923 32.500 -0.031 0.000 0.736 78 K HN 0.303 nan 8.250 nan 0.000 0.453 79 E N 0.493 120.682 120.200 -0.018 0.000 2.427 79 E HA 0.034 4.384 4.350 -0.000 0.000 0.196 79 E C -0.195 176.403 176.600 -0.002 0.000 1.028 79 E CA 0.245 56.640 56.400 -0.008 0.000 0.864 79 E CB -0.053 29.644 29.700 -0.004 0.000 0.813 79 E HN 0.348 nan 8.360 nan 0.000 0.514 80 N N 1.177 119.875 118.700 -0.003 0.000 2.791 80 N HA 0.105 4.845 4.740 -0.000 0.000 0.265 80 N C -2.288 173.228 175.510 0.011 0.000 1.580 80 N CA -0.998 52.057 53.050 0.008 0.000 0.809 80 N CB 1.402 39.900 38.487 0.019 0.000 1.178 80 N HN -0.015 nan 8.380 nan 0.000 0.499 81 P HA -0.116 nan 4.420 nan 0.000 0.218 81 P C 0.941 178.252 177.300 0.019 0.000 1.148 81 P CA 1.217 64.320 63.100 0.006 0.000 0.822 81 P CB 0.457 32.156 31.700 -0.003 0.000 0.784 82 N N -0.596 118.117 118.700 0.020 0.000 2.244 82 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 82 N C 1.496 177.030 175.510 0.041 0.000 1.016 82 N CA 0.609 53.672 53.050 0.022 0.000 0.866 82 N CB -0.160 38.336 38.487 0.016 0.000 0.980 82 N HN -0.020 nan 8.380 nan 0.000 0.430 83 V N 0.504 120.458 119.914 0.066 0.000 2.548 83 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 83 V C 2.047 178.269 176.094 0.213 0.000 1.055 83 V CA 1.087 63.464 62.300 0.128 0.000 1.065 83 V CB -0.271 31.626 31.823 0.122 0.000 0.681 83 V HN 0.477 nan 8.190 nan 0.000 0.462 84 C N -0.822 118.569 119.300 0.153 0.000 2.539 84 C HA 0.111 4.571 4.460 -0.000 0.000 0.268 84 C C 1.244 176.257 174.990 0.037 0.000 1.395 84 C CA -0.605 58.516 59.018 0.171 0.000 1.757 84 C CB -1.030 26.755 27.740 0.074 0.000 1.851 84 C HN 0.515 nan 8.230 nan 0.000 0.545 85 E N -0.372 119.845 120.200 0.028 0.000 2.374 85 E HA 0.040 4.390 4.350 -0.000 0.000 0.260 85 E C 0.365 176.982 176.600 0.028 0.000 1.101 85 E CA -0.263 56.146 56.400 0.015 0.000 0.907 85 E CB 0.460 30.171 29.700 0.020 0.000 1.014 85 E HN 0.444 nan 8.360 nan 0.000 0.427 86 Y N 2.442 122.701 120.300 -0.067 0.000 2.181 86 Y HA -0.121 4.429 4.550 -0.000 0.000 0.288 86 Y C 0.801 176.676 175.900 -0.043 0.000 1.146 86 Y CA 1.397 59.459 58.100 -0.064 0.000 1.164 86 Y CB 0.327 38.755 38.460 -0.053 0.000 0.982 86 Y HN 0.393 nan 8.280 nan 0.000 0.515 87 M N 0.520 120.043 119.600 -0.130 0.000 2.060 87 M HA 0.571 5.051 4.480 -0.000 0.000 0.231 87 M C -1.474 174.789 176.300 -0.061 0.000 0.936 87 M CA -0.358 54.822 55.300 -0.201 0.000 0.981 87 M CB 1.054 33.549 32.600 -0.175 0.000 2.216 87 M HN 0.158 nan 8.290 nan 0.000 0.399 88 A N 3.588 126.378 122.820 -0.051 0.000 2.454 88 A HA 1.043 5.363 4.320 -0.000 0.000 0.302 88 A C -2.924 174.649 177.584 -0.019 0.000 1.079 88 A CA -1.673 50.353 52.037 -0.019 0.000 0.731 88 A CB 1.096 20.095 19.000 -0.002 0.000 1.299 88 A HN 0.467 nan 8.150 nan 0.000 0.413 89 P HA 0.100 nan 4.420 nan 0.000 0.260 89 P C 0.354 177.653 177.300 -0.000 0.000 1.207 89 P CA 0.793 63.889 63.100 -0.007 0.000 0.780 89 P CB 0.534 32.231 31.700 -0.004 0.000 0.789 90 S N 1.308 117.008 115.700 0.000 0.000 2.760 90 S HA 0.032 4.502 4.470 -0.000 0.000 0.263 90 S C 1.048 175.654 174.600 0.011 0.000 1.007 90 S CA -0.333 57.873 58.200 0.011 0.000 1.358 90 S CB -0.804 62.409 63.200 0.021 0.000 1.228 90 S HN 0.232 nan 8.310 nan 0.000 0.684 91 L N 2.846 124.070 121.223 0.002 0.000 2.083 91 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 91 L C 1.583 178.450 176.870 -0.004 0.000 1.083 91 L CA 2.147 56.986 54.840 -0.002 0.000 0.752 91 L CB -0.629 41.424 42.059 -0.010 0.000 0.899 91 L HN 0.112 nan 8.230 nan 0.000 0.433 92 D N 0.083 120.481 120.400 -0.002 0.000 2.104 92 D HA -0.181 4.458 4.640 -0.000 0.000 0.194 92 D C 2.224 178.527 176.300 0.006 0.000 0.994 92 D CA 1.650 55.648 54.000 -0.002 0.000 0.830 92 D CB -0.296 40.504 40.800 -0.001 0.000 0.959 92 D HN 0.515 nan 8.370 nan 0.000 0.452 93 A N 0.764 123.592 122.820 0.014 0.000 1.898 93 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 93 A C 2.167 179.770 177.584 0.032 0.000 1.181 93 A CA 1.272 53.324 52.037 0.026 0.000 0.620 93 A CB -0.378 18.641 19.000 0.032 0.000 0.819 93 A HN 0.132 nan 8.150 nan 0.000 0.442 94 R N -0.724 119.792 120.500 0.027 0.000 2.092 94 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 94 R C 2.405 178.701 176.300 -0.007 0.000 1.119 94 R CA 1.224 57.338 56.100 0.024 0.000 0.970 94 R CB -0.267 30.050 30.300 0.027 0.000 0.864 94 R HN 0.544 nan 8.270 nan 0.000 0.440 95 Q N 0.840 120.632 119.800 -0.014 0.000 2.061 95 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 95 Q C 1.507 177.493 176.000 -0.024 0.000 0.984 95 Q CA 1.450 57.235 55.803 -0.030 0.000 0.846 95 Q CB -0.219 28.499 28.738 -0.033 0.000 0.902 95 Q HN 0.345 nan 8.270 nan 0.000 0.421 96 D N 0.203 120.600 120.400 -0.005 0.000 2.149 96 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 96 D C 1.970 178.274 176.300 0.007 0.000 0.990 96 D CA 1.176 55.181 54.000 0.008 0.000 0.839 96 D CB -0.150 40.664 40.800 0.024 0.000 0.948 96 D HN 0.267 nan 8.370 nan 0.000 0.460 97 M N 0.052 119.653 119.600 0.001 0.000 2.062 97 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 97 M C 2.436 178.611 176.300 -0.208 0.000 1.076 97 M CA 1.167 56.431 55.300 -0.061 0.000 1.122 97 M CB -0.385 32.187 32.600 -0.047 0.000 1.312 97 M HN -0.011 nan 8.290 nan 0.000 0.412 98 V N -2.847 116.955 119.914 -0.187 0.000 2.809 98 V HA -0.042 4.078 4.120 -0.000 0.000 0.256 98 V C 2.015 178.059 176.094 -0.083 0.000 1.080 98 V CA 0.895 63.092 62.300 -0.172 0.000 1.102 98 V CB -1.002 30.747 31.823 -0.123 0.000 0.705 98 V HN 0.302 nan 8.190 nan 0.000 0.475 99 V N 0.099 119.985 119.914 -0.047 0.000 2.515 99 V HA -0.151 3.969 4.120 -0.000 0.000 0.250 99 V C 2.543 178.638 176.094 0.002 0.000 1.058 99 V CA 2.083 64.380 62.300 -0.004 0.000 1.064 99 V CB 0.032 31.857 31.823 0.002 0.000 0.675 99 V HN 0.503 nan 8.190 nan 0.000 0.461 100 V N -0.460 119.443 119.914 -0.019 0.000 2.426 100 V HA -0.079 4.041 4.120 -0.000 0.000 0.242 100 V C 2.412 178.492 176.094 -0.022 0.000 1.036 100 V CA 1.645 63.943 62.300 -0.004 0.000 1.044 100 V CB -0.179 31.654 31.823 0.016 0.000 0.688 100 V HN 0.559 nan 8.190 nan 0.000 0.462 101 E N 0.398 120.543 120.200 -0.092 0.000 2.152 101 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 101 E C 1.991 178.550 176.600 -0.069 0.000 0.983 101 E CA 1.212 57.544 56.400 -0.113 0.000 0.818 101 E CB -0.252 29.222 29.700 -0.377 0.000 0.758 101 E HN 0.301 nan 8.360 nan 0.000 0.467 102 V N 1.891 121.767 119.914 -0.064 0.000 2.233 102 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 102 V C -0.780 175.309 176.094 -0.008 0.000 1.050 102 V CA 2.479 64.764 62.300 -0.025 0.000 1.010 102 V CB -1.411 30.411 31.823 -0.002 0.000 0.637 102 V HN 0.361 nan 8.190 nan 0.000 0.444 103 P HA -0.186 nan 4.420 nan 0.000 0.217 103 P C 1.660 178.958 177.300 -0.003 0.000 1.150 103 P CA 1.505 64.604 63.100 -0.003 0.000 0.832 103 P CB -0.176 31.527 31.700 0.005 0.000 0.787 104 R N -0.215 120.288 120.500 0.004 0.000 2.080 104 R HA -0.154 4.186 4.340 -0.000 0.000 0.236 104 R C 2.320 178.629 176.300 0.016 0.000 1.137 104 R CA 1.423 57.531 56.100 0.013 0.000 0.943 104 R CB -1.036 29.282 30.300 0.030 0.000 0.846 104 R HN 0.078 nan 8.270 nan 0.000 0.431 105 L N 0.474 121.709 121.223 0.021 0.000 2.083 105 L HA -0.004 4.336 4.340 -0.000 0.000 0.209 105 L C 2.157 179.034 176.870 0.012 0.000 1.083 105 L CA 2.264 57.121 54.840 0.028 0.000 0.752 105 L CB -0.880 41.203 42.059 0.040 0.000 0.899 105 L HN 0.318 nan 8.230 nan 0.000 0.433 106 G N -0.977 107.824 108.800 0.002 0.000 2.422 106 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 106 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 106 G C 1.684 176.572 174.900 -0.019 0.000 1.140 106 G CA 0.741 45.835 45.100 -0.011 0.000 0.775 106 G HN 0.443 nan 8.290 nan 0.000 0.545 107 K N 0.650 121.041 120.400 -0.015 0.000 2.032 107 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 107 K C 2.339 178.930 176.600 -0.015 0.000 1.048 107 K CA 1.640 57.917 56.287 -0.017 0.000 0.927 107 K CB -0.212 32.280 32.500 -0.014 0.000 0.712 107 K HN 0.420 nan 8.250 nan 0.000 0.441 108 E N 0.081 120.275 120.200 -0.009 0.000 2.058 108 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 108 E C 2.069 178.652 176.600 -0.027 0.000 0.997 108 E CA 1.266 57.660 56.400 -0.011 0.000 0.801 108 E CB -0.216 29.483 29.700 -0.003 0.000 0.746 108 E HN 0.470 nan 8.360 nan 0.000 0.450 109 A N 1.552 124.349 122.820 -0.038 0.000 1.902 109 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 109 A C 2.416 179.965 177.584 -0.058 0.000 1.181 109 A CA 1.659 53.655 52.037 -0.070 0.000 0.623 109 A CB -0.615 18.333 19.000 -0.087 0.000 0.818 109 A HN 0.291 nan 8.150 nan 0.000 0.443 110 A N -0.615 122.180 122.820 -0.042 0.000 1.933 110 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 110 A C 2.212 179.788 177.584 -0.013 0.000 1.175 110 A CA 1.725 53.742 52.037 -0.034 0.000 0.628 110 A CB -0.889 18.093 19.000 -0.031 0.000 0.814 110 A HN 0.375 nan 8.150 nan 0.000 0.444 111 V N 0.210 120.118 119.914 -0.010 0.000 2.407 111 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 111 V C 2.491 178.590 176.094 0.007 0.000 1.055 111 V CA 2.327 64.628 62.300 0.003 0.000 1.049 111 V CB -0.579 31.243 31.823 -0.003 0.000 0.662 111 V HN 0.540 nan 8.190 nan 0.000 0.455 112 K N 0.015 120.408 120.400 -0.011 0.000 2.025 112 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 112 K C 2.332 178.931 176.600 -0.002 0.000 1.049 112 K CA 1.459 57.736 56.287 -0.016 0.000 0.933 112 K CB -0.416 32.058 32.500 -0.043 0.000 0.714 112 K HN 0.462 nan 8.250 nan 0.000 0.438 113 A N 1.577 124.389 122.820 -0.013 0.000 1.902 113 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 113 A C 2.144 179.777 177.584 0.082 0.000 1.181 113 A CA 1.324 53.362 52.037 0.002 0.000 0.623 113 A CB -0.614 18.360 19.000 -0.044 0.000 0.818 113 A HN 0.180 nan 8.150 nan 0.000 0.443 114 I N -0.478 120.154 120.570 0.103 0.000 2.286 114 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 114 I C 2.478 178.704 176.117 0.182 0.000 1.115 114 I CA 1.859 63.295 61.300 0.226 0.000 1.392 114 I CB -0.206 37.901 38.000 0.180 0.000 1.065 114 I HN 0.391 nan 8.210 nan 0.000 0.418 115 K N 1.283 121.738 120.400 0.091 0.000 2.032 115 K HA -0.279 4.041 4.320 -0.000 0.000 0.209 115 K C 2.137 178.771 176.600 0.056 0.000 1.048 115 K CA 1.930 58.245 56.287 0.048 0.000 0.927 115 K CB -0.176 32.337 32.500 0.022 0.000 0.712 115 K HN 0.301 nan 8.250 nan 0.000 0.441 116 E N -0.438 119.806 120.200 0.072 0.000 2.058 116 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 116 E C 1.809 178.490 176.600 0.135 0.000 0.997 116 E CA 1.561 58.006 56.400 0.074 0.000 0.801 116 E CB -0.324 29.410 29.700 0.056 0.000 0.746 116 E HN 0.534 nan 8.360 nan 0.000 0.450 117 W N 0.473 121.755 121.300 -0.030 0.000 2.335 117 W HA -0.126 4.534 4.660 -0.000 0.000 0.311 117 W C 1.642 178.147 176.519 -0.023 0.000 1.213 117 W CA 2.897 60.227 57.345 -0.026 0.000 1.274 117 W CB -0.536 28.910 29.460 -0.022 0.000 1.148 117 W HN 0.397 nan 8.180 nan 0.000 0.498 118 G N -1.158 107.577 108.800 -0.108 0.000 2.234 118 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.235 118 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.235 118 G C 0.390 175.022 174.900 -0.446 0.000 0.997 118 G CA 0.370 45.328 45.100 -0.237 0.000 0.623 118 G HN 0.370 nan 8.290 nan 0.000 0.514 119 Q N 0.908 120.140 119.800 -0.947 0.000 2.221 119 Q HA 0.558 4.898 4.340 -0.000 0.000 0.242 119 Q C -2.467 173.144 176.000 -0.649 0.000 0.940 119 Q CA -2.124 53.072 55.803 -1.011 0.000 0.896 119 Q CB 0.299 27.989 28.738 -1.747 0.000 1.226 119 Q HN 0.230 nan 8.270 nan 0.000 0.463 120 P HA -0.027 nan 4.420 nan 0.000 0.265 120 P C 0.381 177.660 177.300 -0.035 0.000 1.193 120 P CA 0.155 63.164 63.100 -0.153 0.000 0.765 120 P CB 0.397 32.040 31.700 -0.096 0.000 0.823 121 K N 1.084 121.511 120.400 0.044 0.000 2.362 121 K HA -0.104 4.216 4.320 -0.000 0.000 0.200 121 K C 1.360 178.019 176.600 0.098 0.000 1.046 121 K CA 1.521 57.890 56.287 0.136 0.000 0.952 121 K CB -0.492 32.058 32.500 0.083 0.000 0.753 121 K HN 0.377 nan 8.250 nan 0.000 0.466 122 S N 0.886 116.616 115.700 0.050 0.000 2.507 122 S HA -0.009 4.461 4.470 -0.000 0.000 0.235 122 S C 1.407 176.063 174.600 0.093 0.000 0.988 122 S CA 0.327 58.549 58.200 0.037 0.000 0.944 122 S CB -0.046 63.174 63.200 0.033 0.000 0.762 122 S HN 0.263 nan 8.310 nan 0.000 0.526 123 K N 0.730 121.222 120.400 0.153 0.000 2.444 123 K HA 0.316 4.636 4.320 -0.000 0.000 0.193 123 K C 0.193 176.966 176.600 0.289 0.000 1.024 123 K CA -0.041 56.382 56.287 0.225 0.000 1.077 123 K CB -0.074 32.570 32.500 0.239 0.000 0.833 123 K HN 0.499 nan 8.250 nan 0.000 0.517 124 I N 2.745 123.458 120.570 0.239 0.000 2.505 124 I HA -0.080 4.090 4.170 -0.000 0.000 0.287 124 I C 1.595 177.763 176.117 0.085 0.000 1.104 124 I CA 0.136 61.513 61.300 0.128 0.000 1.387 124 I CB 0.992 39.036 38.000 0.073 0.000 1.404 124 I HN 0.130 nan 8.210 nan 0.000 0.528 125 T N 1.314 115.944 114.554 0.125 0.000 3.040 125 T HA 0.119 4.469 4.350 -0.000 0.000 0.252 125 T C 0.463 175.123 174.700 -0.065 0.000 1.064 125 T CA 0.385 62.542 62.100 0.095 0.000 1.110 125 T CB -0.015 68.982 68.868 0.215 0.000 0.921 125 T HN 0.501 nan 8.240 nan 0.000 0.480 126 H N -0.182 118.921 119.070 0.056 0.000 2.768 126 H HA 0.758 5.314 4.556 -0.000 0.000 0.371 126 H C -1.541 173.821 175.328 0.057 0.000 1.151 126 H CA -1.023 55.088 56.048 0.105 0.000 1.165 126 H CB 2.041 31.861 29.762 0.098 0.000 1.722 126 H HN 0.156 nan 8.280 nan 0.000 0.543 127 L N 3.055 124.408 121.223 0.217 0.000 2.439 127 L HA 0.556 4.896 4.340 -0.000 0.000 0.270 127 L C -1.691 175.286 176.870 0.178 0.000 0.972 127 L CA -0.251 54.659 54.840 0.116 0.000 0.836 127 L CB 0.996 43.075 42.059 0.033 0.000 1.255 127 L HN 0.632 nan 8.230 nan 0.000 0.404 128 I N 5.763 126.386 120.570 0.088 0.000 2.362 128 I HA 0.544 4.714 4.170 -0.000 0.000 0.289 128 I C -0.768 175.345 176.117 -0.006 0.000 0.994 128 I CA -0.796 60.543 61.300 0.067 0.000 1.158 128 I CB 1.837 39.829 38.000 -0.013 0.000 1.315 128 I HN 0.289 nan 8.210 nan 0.000 0.451 129 V N 5.560 125.454 119.914 -0.033 0.000 2.555 129 V HA 0.448 4.568 4.120 -0.000 0.000 0.302 129 V C -0.648 175.371 176.094 -0.124 0.000 1.038 129 V CA -0.591 61.660 62.300 -0.083 0.000 0.887 129 V CB 2.072 33.829 31.823 -0.111 0.000 0.991 129 V HN 0.889 nan 8.190 nan 0.000 0.434 130 C N 3.705 122.941 119.300 -0.108 0.000 2.482 130 C HA 0.896 5.356 4.460 -0.000 0.000 0.317 130 C C -0.278 174.656 174.990 -0.094 0.000 1.197 130 C CA 0.073 59.021 59.018 -0.116 0.000 1.432 130 C CB 0.937 28.624 27.740 -0.089 0.000 2.062 130 C HN 1.086 nan 8.230 nan 0.000 0.471 131 T N 2.631 117.137 114.554 -0.080 0.000 2.942 131 T HA 0.455 4.805 4.350 -0.000 0.000 0.327 131 T C 0.253 174.940 174.700 -0.020 0.000 1.360 131 T CA -0.117 61.964 62.100 -0.031 0.000 1.055 131 T CB 1.566 70.450 68.868 0.027 0.000 1.261 131 T HN 0.671 nan 8.240 nan 0.000 0.485 132 T N 2.208 116.707 114.554 -0.092 0.000 3.105 132 T HA 0.235 4.585 4.350 -0.000 0.000 0.253 132 T C 0.194 174.827 174.700 -0.112 0.000 1.047 132 T CA -0.092 61.913 62.100 -0.158 0.000 0.944 132 T CB 0.148 68.817 68.868 -0.332 0.000 1.016 132 T HN 0.476 nan 8.240 nan 0.000 0.544 133 S N 2.243 117.914 115.700 -0.047 0.000 2.505 133 S HA 0.626 5.096 4.470 -0.000 0.000 0.280 133 S C 0.658 175.241 174.600 -0.027 0.000 1.197 133 S CA -0.719 57.452 58.200 -0.048 0.000 1.138 133 S CB 0.682 63.853 63.200 -0.048 0.000 1.010 133 S HN 0.722 nan 8.310 nan 0.000 0.480 134 G N 1.261 110.020 108.800 -0.068 0.000 2.746 134 G HA2 0.071 4.031 3.960 -0.000 0.000 0.685 134 G HA3 0.071 4.031 3.960 -0.000 0.000 0.685 134 G C -0.717 174.023 174.900 -0.266 0.000 1.350 134 G CA -0.505 44.527 45.100 -0.114 0.000 0.837 134 G HN 1.705 nan 8.290 nan 0.000 0.564 135 V N -2.669 117.011 119.914 -0.389 0.000 3.087 135 V HA 0.981 5.101 4.120 -0.000 0.000 0.306 135 V C -0.643 175.218 176.094 -0.389 0.000 1.187 135 V CA -0.026 61.754 62.300 -0.867 0.000 0.999 135 V CB 2.129 33.424 31.823 -0.879 0.000 1.049 135 V HN 1.656 nan 8.190 nan 0.000 0.431 136 D N 1.635 121.879 120.400 -0.260 0.000 2.653 136 D HA 0.653 5.293 4.640 -0.000 0.000 0.258 136 D C -1.339 174.979 176.300 0.029 0.000 1.252 136 D CA -0.439 53.527 54.000 -0.057 0.000 0.777 136 D CB 2.161 42.969 40.800 0.013 0.000 1.339 136 D HN 0.825 nan 8.370 nan 0.000 0.422 137 M N 2.248 121.849 119.600 0.002 0.000 2.197 137 M HA 0.437 4.917 4.480 -0.000 0.000 0.301 137 M C -2.216 174.051 176.300 -0.056 0.000 0.987 137 M CA -1.637 53.661 55.300 -0.004 0.000 0.921 137 M CB 1.753 34.343 32.600 -0.018 0.000 1.569 137 M HN 0.204 nan 8.290 nan 0.000 0.431 138 P HA 0.177 nan 4.420 nan 0.000 0.266 138 P C 0.204 177.537 177.300 0.054 0.000 1.193 138 P CA -0.133 62.895 63.100 -0.120 0.000 0.770 138 P CB 0.354 31.783 31.700 -0.453 0.000 0.836 139 G N 0.170 109.048 108.800 0.130 0.000 2.508 139 G HA2 0.372 4.332 3.960 -0.000 0.000 0.278 139 G HA3 0.372 4.332 3.960 -0.000 0.000 0.278 139 G C 1.044 176.051 174.900 0.177 0.000 1.389 139 G CA -0.119 45.117 45.100 0.227 0.000 1.050 139 G HN 0.515 nan 8.290 nan 0.000 0.522 140 A N -0.367 122.529 122.820 0.127 0.000 2.024 140 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 140 A C 2.022 179.607 177.584 0.002 0.000 1.164 140 A CA 2.266 54.334 52.037 0.052 0.000 0.643 140 A CB -0.569 18.438 19.000 0.011 0.000 0.806 140 A HN 0.722 nan 8.150 nan 0.000 0.451 141 D N -1.126 119.258 120.400 -0.028 0.000 2.084 141 D HA -0.267 4.373 4.640 -0.000 0.000 0.194 141 D C 1.879 178.192 176.300 0.022 0.000 0.990 141 D CA 1.691 55.678 54.000 -0.022 0.000 0.826 141 D CB -0.986 39.788 40.800 -0.044 0.000 0.971 141 D HN 0.539 nan 8.370 nan 0.000 0.453 142 Y N 1.689 121.964 120.300 -0.042 0.000 2.097 142 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 142 Y C 2.546 178.433 175.900 -0.023 0.000 1.152 142 Y CA 2.291 60.373 58.100 -0.031 0.000 1.136 142 Y CB -0.344 38.106 38.460 -0.017 0.000 0.975 142 Y HN -0.144 nan 8.280 nan 0.000 0.498 143 Q N 0.426 120.243 119.800 0.028 0.000 2.096 143 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 143 Q C 2.495 178.413 176.000 -0.137 0.000 0.982 143 Q CA 1.925 57.682 55.803 -0.077 0.000 0.850 143 Q CB -0.794 27.970 28.738 0.043 0.000 0.901 143 Q HN 0.592 nan 8.270 nan 0.000 0.422 144 L N 0.113 121.281 121.223 -0.091 0.000 2.141 144 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 144 L C 2.330 179.130 176.870 -0.117 0.000 1.094 144 L CA 1.131 55.920 54.840 -0.086 0.000 0.763 144 L CB -0.417 41.608 42.059 -0.058 0.000 0.908 144 L HN 0.210 nan 8.230 nan 0.000 0.437 145 T N -0.686 113.772 114.554 -0.160 0.000 2.708 145 T HA -0.239 4.111 4.350 -0.000 0.000 0.266 145 T C 1.924 176.497 174.700 -0.211 0.000 1.037 145 T CA 1.435 63.430 62.100 -0.176 0.000 1.146 145 T CB -0.033 68.722 68.868 -0.188 0.000 0.865 145 T HN 0.243 nan 8.240 nan 0.000 0.435 146 K N 0.625 120.836 120.400 -0.316 0.000 2.002 146 K HA -0.013 4.307 4.320 -0.000 0.000 0.209 146 K C 2.274 178.778 176.600 -0.159 0.000 1.048 146 K CA 1.155 57.273 56.287 -0.281 0.000 0.930 146 K CB -0.302 31.966 32.500 -0.386 0.000 0.714 146 K HN 0.256 nan 8.250 nan 0.000 0.438 147 L N 0.938 122.080 121.223 -0.136 0.000 2.083 147 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 147 L C 2.234 179.065 176.870 -0.064 0.000 1.083 147 L CA 1.019 55.811 54.840 -0.080 0.000 0.752 147 L CB -0.247 41.778 42.059 -0.057 0.000 0.899 147 L HN 0.208 nan 8.230 nan 0.000 0.433 148 L N -0.568 120.614 121.223 -0.068 0.000 2.492 148 L HA 0.158 4.498 4.340 -0.000 0.000 0.223 148 L C 1.249 178.088 176.870 -0.052 0.000 1.132 148 L CA 0.401 55.212 54.840 -0.049 0.000 0.850 148 L CB -0.498 41.536 42.059 -0.042 0.000 0.966 148 L HN 0.448 nan 8.230 nan 0.000 0.454 149 G N 1.309 110.065 108.800 -0.073 0.000 2.298 149 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 149 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 149 G C 0.106 174.959 174.900 -0.078 0.000 1.075 149 G CA -0.184 44.872 45.100 -0.072 0.000 0.960 149 G HN 0.198 nan 8.290 nan 0.000 0.502 150 L N -0.188 120.977 121.223 -0.098 0.000 2.464 150 L HA 0.384 4.724 4.340 -0.000 0.000 0.264 150 L C 1.529 178.287 176.870 -0.186 0.000 1.199 150 L CA -0.948 53.822 54.840 -0.117 0.000 0.818 150 L CB 0.272 42.264 42.059 -0.112 0.000 1.102 150 L HN 0.175 nan 8.230 nan 0.000 0.473 151 R N 1.810 122.136 120.500 -0.290 0.000 2.698 151 R HA 0.016 4.356 4.340 -0.000 0.000 0.266 151 R C -1.525 174.506 176.300 -0.449 0.000 1.026 151 R CA -1.270 54.514 56.100 -0.526 0.000 1.102 151 R CB -0.124 29.472 30.300 -1.174 0.000 0.978 151 R HN 0.379 nan 8.270 nan 0.000 0.436 152 P HA -0.111 nan 4.420 nan 0.000 0.220 152 P C 0.575 177.824 177.300 -0.085 0.000 1.148 152 P CA 1.384 64.406 63.100 -0.131 0.000 0.803 152 P CB -0.145 31.557 31.700 0.003 0.000 0.782 153 Y N -2.299 117.989 120.300 -0.020 0.000 2.495 153 Y HA 0.383 4.933 4.550 -0.000 0.000 0.293 153 Y C 0.670 176.534 175.900 -0.059 0.000 1.186 153 Y CA -1.317 56.762 58.100 -0.035 0.000 1.266 153 Y CB -1.226 37.217 38.460 -0.029 0.000 1.101 153 Y HN -0.318 nan 8.280 nan 0.000 0.517 154 V N 2.924 122.731 119.914 -0.179 0.000 2.599 154 V HA -0.007 4.113 4.120 -0.000 0.000 0.300 154 V C 0.149 176.184 176.094 -0.098 0.000 1.034 154 V CA -0.457 61.765 62.300 -0.130 0.000 1.115 154 V CB 0.324 32.066 31.823 -0.135 0.000 0.934 154 V HN 0.454 nan 8.190 nan 0.000 0.485 155 K N 7.388 127.698 120.400 -0.151 0.000 2.310 155 K HA 0.384 4.704 4.320 -0.000 0.000 0.290 155 K C -0.204 176.325 176.600 -0.119 0.000 1.077 155 K CA -0.049 56.131 56.287 -0.180 0.000 0.922 155 K CB 0.646 32.978 32.500 -0.280 0.000 1.057 155 K HN 0.641 nan 8.250 nan 0.000 0.479 156 R N 2.285 122.634 120.500 -0.253 0.000 2.540 156 R HA 0.342 4.682 4.340 -0.000 0.000 0.287 156 R C -0.922 175.051 176.300 -0.545 0.000 0.980 156 R CA -0.714 55.253 56.100 -0.222 0.000 0.966 156 R CB 0.934 31.163 30.300 -0.119 0.000 1.106 156 R HN 0.452 nan 8.270 nan 0.000 0.480 157 Y N 1.662 121.949 120.300 -0.022 0.000 2.402 157 Y HA 0.264 4.814 4.550 -0.000 0.000 0.325 157 Y C -0.389 175.463 175.900 -0.080 0.000 1.009 157 Y CA -0.870 57.211 58.100 -0.031 0.000 1.278 157 Y CB 1.634 40.084 38.460 -0.016 0.000 1.105 157 Y HN 0.362 nan 8.280 nan 0.000 0.476 158 M N 5.351 124.927 119.600 -0.041 0.000 2.069 158 M HA 0.465 4.945 4.480 -0.000 0.000 0.349 158 M C -1.520 174.662 176.300 -0.196 0.000 1.194 158 M CA -0.624 54.564 55.300 -0.187 0.000 1.081 158 M CB 0.351 32.813 32.600 -0.231 0.000 1.500 158 M HN 0.377 nan 8.290 nan 0.000 0.438 159 M N 6.044 125.519 119.600 -0.207 0.000 2.055 159 M HA 0.302 4.782 4.480 -0.000 0.000 0.346 159 M C -1.418 174.794 176.300 -0.146 0.000 1.074 159 M CA -0.280 54.952 55.300 -0.113 0.000 1.009 159 M CB -0.425 32.138 32.600 -0.061 0.000 1.423 159 M HN 0.471 nan 8.290 nan 0.000 0.410 160 Y N 1.276 121.556 120.300 -0.034 0.000 2.419 160 Y HA 0.317 4.867 4.550 -0.000 0.000 0.328 160 Y C 1.089 176.939 175.900 -0.084 0.000 1.162 160 Y CA -0.329 57.737 58.100 -0.057 0.000 1.174 160 Y CB 1.202 39.640 38.460 -0.037 0.000 1.228 160 Y HN 0.693 nan 8.280 nan 0.000 0.473 161 Q N 0.725 120.576 119.800 0.085 0.000 2.468 161 Q HA -0.242 4.098 4.340 -0.000 0.000 0.289 161 Q C 0.534 176.457 176.000 -0.129 0.000 1.299 161 Q CA 0.814 56.584 55.803 -0.055 0.000 0.838 161 Q CB -0.671 28.055 28.738 -0.021 0.000 1.195 161 Q HN 0.789 nan 8.270 nan 0.000 0.456 162 Q N -1.258 118.415 119.800 -0.211 0.000 2.165 162 Q HA 0.300 4.640 4.340 -0.000 0.000 0.197 162 Q C 1.250 176.833 176.000 -0.694 0.000 0.952 162 Q CA 1.214 56.792 55.803 -0.375 0.000 0.848 162 Q CB 0.421 28.947 28.738 -0.352 0.000 0.931 162 Q HN 0.633 nan 8.270 nan 0.000 0.470 166 A N 1.371 124.033 122.820 -0.263 0.000 2.238 166 A HA 0.498 4.818 4.320 -0.000 0.000 0.208 166 A C 2.173 179.736 177.584 -0.035 0.000 1.177 166 A CA 0.975 52.953 52.037 -0.099 0.000 0.804 166 A CB -1.354 17.484 19.000 -0.271 0.000 0.823 166 A HN 0.625 nan 8.150 nan 0.000 0.482 167 G N 0.199 108.980 108.800 -0.032 0.000 2.418 167 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.217 167 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.217 167 G C 1.458 176.354 174.900 -0.007 0.000 1.158 167 G CA 1.130 46.226 45.100 -0.007 0.000 0.771 167 G HN 0.588 nan 8.290 nan 0.000 0.545 168 G N 0.271 109.078 108.800 0.011 0.000 2.402 168 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 168 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 168 G C 1.858 176.754 174.900 -0.005 0.000 1.162 168 G CA 1.722 46.816 45.100 -0.011 0.000 0.777 168 G HN 0.374 nan 8.290 nan 0.000 0.539 169 T N 1.271 115.863 114.554 0.064 0.000 2.720 169 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 169 T C 2.675 177.363 174.700 -0.020 0.000 1.037 169 T CA 1.911 64.041 62.100 0.051 0.000 1.144 169 T CB -0.515 68.447 68.868 0.158 0.000 0.864 169 T HN 0.348 nan 8.240 nan 0.000 0.444 170 V N 0.121 120.016 119.914 -0.031 0.000 2.515 170 V HA 0.004 4.124 4.120 -0.000 0.000 0.250 170 V C 2.224 178.265 176.094 -0.088 0.000 1.058 170 V CA 1.337 63.599 62.300 -0.064 0.000 1.064 170 V CB -1.107 30.680 31.823 -0.061 0.000 0.675 170 V HN 0.419 nan 8.190 nan 0.000 0.461 171 L N 0.058 121.234 121.223 -0.079 0.000 2.131 171 L HA 0.005 4.345 4.340 -0.000 0.000 0.206 171 L C 2.958 179.760 176.870 -0.113 0.000 1.087 171 L CA 1.895 56.678 54.840 -0.093 0.000 0.767 171 L CB -0.546 41.462 42.059 -0.084 0.000 0.917 171 L HN 0.334 nan 8.230 nan 0.000 0.441 172 R N 0.451 120.883 120.500 -0.114 0.000 2.081 172 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 172 R C 2.287 178.498 176.300 -0.148 0.000 1.131 172 R CA 1.469 57.485 56.100 -0.140 0.000 0.960 172 R CB -0.244 29.973 30.300 -0.139 0.000 0.856 172 R HN 0.200 nan 8.270 nan 0.000 0.436 173 L N 0.754 121.890 121.223 -0.146 0.000 1.988 173 L HA 0.051 4.391 4.340 -0.000 0.000 0.207 173 L C 2.363 179.090 176.870 -0.238 0.000 1.071 173 L CA 2.251 56.975 54.840 -0.192 0.000 0.744 173 L CB -0.983 40.958 42.059 -0.198 0.000 0.893 173 L HN 0.248 nan 8.230 nan 0.000 0.433 174 A N -0.410 122.281 122.820 -0.215 0.000 1.986 174 A HA -0.304 4.016 4.320 -0.000 0.000 0.220 174 A C 2.450 179.915 177.584 -0.199 0.000 1.171 174 A CA 2.138 54.042 52.037 -0.223 0.000 0.640 174 A CB -0.751 18.147 19.000 -0.169 0.000 0.811 174 A HN 0.580 nan 8.150 nan 0.000 0.451 175 K N -0.464 119.841 120.400 -0.159 0.000 2.032 175 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 175 K C 1.320 177.834 176.600 -0.143 0.000 1.048 175 K CA 1.874 58.082 56.287 -0.132 0.000 0.927 175 K CB -0.253 32.179 32.500 -0.114 0.000 0.712 175 K HN 0.414 nan 8.250 nan 0.000 0.441 176 D N 0.783 121.088 120.400 -0.159 0.000 2.144 176 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 176 D C 2.070 178.264 176.300 -0.177 0.000 0.978 176 D CA 0.929 54.842 54.000 -0.145 0.000 0.833 176 D CB -0.086 40.634 40.800 -0.132 0.000 0.961 176 D HN 0.264 nan 8.370 nan 0.000 0.470 177 L N 0.815 121.878 121.223 -0.266 0.000 2.017 177 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 177 L C 2.634 179.289 176.870 -0.358 0.000 1.073 177 L CA 1.270 55.880 54.840 -0.383 0.000 0.745 177 L CB -0.558 41.144 42.059 -0.596 0.000 0.894 177 L HN -0.034 nan 8.230 nan 0.000 0.432 178 A N -0.080 122.575 122.820 -0.275 0.000 1.902 178 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 178 A C 2.171 179.688 177.584 -0.113 0.000 1.181 178 A CA 1.618 53.544 52.037 -0.186 0.000 0.623 178 A CB -0.431 18.484 19.000 -0.141 0.000 0.818 178 A HN 0.457 nan 8.150 nan 0.000 0.443 179 E N -0.899 119.242 120.200 -0.099 0.000 2.208 179 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 179 E C 1.403 177.976 176.600 -0.045 0.000 0.988 179 E CA 0.925 57.289 56.400 -0.060 0.000 0.828 179 E CB -0.095 29.572 29.700 -0.055 0.000 0.763 179 E HN 0.619 nan 8.360 nan 0.000 0.478 180 N N 0.440 119.105 118.700 -0.057 0.000 2.353 180 N HA -0.012 4.728 4.740 -0.000 0.000 0.185 180 N C -0.751 174.754 175.510 -0.008 0.000 1.098 180 N CA 0.212 53.244 53.050 -0.030 0.000 0.872 180 N CB 0.520 38.987 38.487 -0.033 0.000 0.970 180 N HN -0.054 nan 8.380 nan 0.000 0.467 181 N N 0.827 119.518 118.700 -0.015 0.000 2.577 181 N HA 0.037 4.777 4.740 -0.000 0.000 0.275 181 N C -1.373 174.156 175.510 0.031 0.000 1.091 181 N CA -0.421 52.645 53.050 0.027 0.000 0.843 181 N CB 1.725 40.252 38.487 0.067 0.000 1.295 181 N HN 0.141 nan 8.380 nan 0.000 0.530 182 K N 0.582 121.004 120.400 0.037 0.000 2.491 182 K HA 0.090 4.410 4.320 -0.000 0.000 0.279 182 K C 1.118 177.752 176.600 0.057 0.000 1.026 182 K CA 1.287 57.597 56.287 0.038 0.000 1.070 182 K CB 0.008 32.529 32.500 0.035 0.000 0.887 182 K HN 0.734 nan 8.250 nan 0.000 0.481 183 G N 2.057 110.892 108.800 0.058 0.000 2.179 183 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 183 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 183 G C 0.162 175.124 174.900 0.104 0.000 0.977 183 G CA 0.110 45.259 45.100 0.081 0.000 0.641 183 G HN 0.955 nan 8.290 nan 0.000 0.533 184 A N 0.403 123.276 122.820 0.088 0.000 2.477 184 A HA 0.651 4.971 4.320 -0.000 0.000 0.246 184 A C 0.658 178.276 177.584 0.056 0.000 1.078 184 A CA 0.314 52.419 52.037 0.113 0.000 0.770 184 A CB 0.293 19.313 19.000 0.034 0.000 1.011 184 A HN 0.385 nan 8.150 nan 0.000 0.494 185 R N 2.364 122.913 120.500 0.081 0.000 2.468 185 R HA 0.374 4.713 4.340 -0.000 0.000 0.302 185 R C -1.510 174.744 176.300 -0.078 0.000 1.041 185 R CA -0.502 55.571 56.100 -0.046 0.000 0.899 185 R CB 1.366 31.643 30.300 -0.039 0.000 1.167 185 R HN 0.459 nan 8.270 nan 0.000 0.483 186 V N 4.497 124.323 119.914 -0.146 0.000 2.432 186 V HA 0.257 4.377 4.120 -0.000 0.000 0.275 186 V C 0.139 176.133 176.094 -0.166 0.000 1.043 186 V CA -0.860 61.377 62.300 -0.104 0.000 0.925 186 V CB 1.405 33.141 31.823 -0.145 0.000 0.985 186 V HN 0.452 nan 8.190 nan 0.000 0.466 187 L N 7.422 128.577 121.223 -0.114 0.000 2.264 187 L HA 0.579 4.919 4.340 -0.000 0.000 0.289 187 L C -0.282 176.538 176.870 -0.083 0.000 1.044 187 L CA 0.271 55.032 54.840 -0.132 0.000 0.807 187 L CB 1.379 43.379 42.059 -0.097 0.000 1.192 187 L HN 0.435 nan 8.230 nan 0.000 0.425 188 V N 6.048 125.903 119.914 -0.099 0.000 2.394 188 V HA 0.573 4.693 4.120 -0.000 0.000 0.282 188 V C -0.381 175.672 176.094 -0.069 0.000 1.031 188 V CA -0.592 61.661 62.300 -0.078 0.000 0.881 188 V CB 1.632 33.403 31.823 -0.087 0.000 0.982 188 V HN 0.543 nan 8.190 nan 0.000 0.451 189 V N 3.896 123.777 119.914 -0.056 0.000 2.488 189 V HA 0.324 4.444 4.120 -0.000 0.000 0.293 189 V C -0.378 175.691 176.094 -0.043 0.000 1.027 189 V CA -0.452 61.818 62.300 -0.050 0.000 0.862 189 V CB 1.695 33.490 31.823 -0.046 0.000 1.008 189 V HN 0.959 nan 8.190 nan 0.000 0.428 190 C N 3.608 122.891 119.300 -0.028 0.000 2.295 190 C HA 0.774 5.234 4.460 -0.000 0.000 0.331 190 C C 0.646 175.641 174.990 0.010 0.000 1.280 190 C CA -0.247 58.762 59.018 -0.015 0.000 1.746 190 C CB 0.672 28.413 27.740 0.003 0.000 2.328 190 C HN 0.890 nan 8.230 nan 0.000 0.521 191 S N 3.090 118.789 115.700 -0.001 0.000 2.619 191 S HA 0.581 5.051 4.470 -0.000 0.000 0.280 191 S C -1.410 173.194 174.600 0.006 0.000 1.150 191 S CA -0.356 57.854 58.200 0.017 0.000 0.978 191 S CB 0.714 63.917 63.200 0.005 0.000 1.041 191 S HN 0.746 nan 8.310 nan 0.000 0.485 192 E N 2.854 123.067 120.200 0.021 0.000 2.246 192 E HA 0.495 4.845 4.350 -0.000 0.000 0.266 192 E C -1.340 175.274 176.600 0.022 0.000 0.880 192 E CA -0.586 55.818 56.400 0.006 0.000 0.762 192 E CB 2.048 31.756 29.700 0.014 0.000 1.180 192 E HN 0.444 nan 8.360 nan 0.000 0.416 193 V N 2.083 121.997 119.914 0.000 0.000 2.525 193 V HA 0.203 4.323 4.120 -0.000 0.000 0.299 193 V C 1.093 177.199 176.094 0.021 0.000 1.034 193 V CA -0.676 61.630 62.300 0.010 0.000 0.863 193 V CB 1.681 33.462 31.823 -0.071 0.000 0.999 193 V HN 0.819 nan 8.190 nan 0.000 0.423 194 T N 0.405 115.013 114.554 0.089 0.000 3.215 194 T HA 0.064 4.414 4.350 -0.000 0.000 0.254 194 T C 1.634 176.431 174.700 0.162 0.000 1.149 194 T CA 0.717 62.887 62.100 0.118 0.000 1.042 194 T CB 0.184 69.172 68.868 0.199 0.000 0.966 194 T HN 0.759 nan 8.240 nan 0.000 0.534 195 A N 1.310 124.204 122.820 0.124 0.000 2.024 195 A HA 0.060 4.380 4.320 -0.000 0.000 0.220 195 A C 2.335 179.985 177.584 0.110 0.000 1.164 195 A CA 1.402 53.521 52.037 0.137 0.000 0.643 195 A CB -0.771 18.277 19.000 0.081 0.000 0.806 195 A HN 0.515 nan 8.150 nan 0.000 0.451 196 V N -0.075 119.872 119.914 0.055 0.000 3.129 196 V HA -0.096 4.024 4.120 -0.000 0.000 0.259 196 V C 2.459 178.589 176.094 0.061 0.000 1.116 196 V CA 1.942 64.266 62.300 0.041 0.000 1.127 196 V CB -0.959 30.860 31.823 -0.006 0.000 0.742 196 V HN 0.798 nan 8.190 nan 0.000 0.474 197 T N -3.274 111.327 114.554 0.078 0.000 3.015 197 T HA 0.174 4.524 4.350 -0.000 0.000 0.250 197 T C 0.577 175.356 174.700 0.131 0.000 1.057 197 T CA -0.271 61.868 62.100 0.065 0.000 1.066 197 T CB -0.317 68.537 68.868 -0.023 0.000 0.959 197 T HN 0.194 nan 8.240 nan 0.000 0.488 198 F N 5.033 125.035 119.950 0.087 0.000 2.612 198 F HA 0.302 4.829 4.527 -0.000 0.000 0.389 198 F C 0.671 176.541 175.800 0.117 0.000 1.055 198 F CA -0.573 57.517 58.000 0.149 0.000 1.232 198 F CB 0.377 39.490 39.000 0.189 0.000 1.044 198 F HN 0.302 nan 8.300 nan 0.000 0.560 199 R N 4.163 124.479 120.500 -0.307 0.000 2.781 199 R HA 0.699 5.039 4.340 -0.000 0.000 0.269 199 R C -0.465 175.663 176.300 -0.285 0.000 1.025 199 R CA -0.944 55.060 56.100 -0.161 0.000 0.914 199 R CB 0.499 30.733 30.300 -0.109 0.000 1.236 199 R HN 0.742 nan 8.270 nan 0.000 0.465 200 G N 0.935 109.654 108.800 -0.134 0.000 2.606 200 G HA2 0.402 4.362 3.960 -0.000 0.000 0.252 200 G HA3 0.402 4.362 3.960 -0.000 0.000 0.252 200 G C -2.233 172.631 174.900 -0.060 0.000 1.206 200 G CA -1.128 43.844 45.100 -0.214 0.000 0.861 200 G HN 0.501 nan 8.290 nan 0.000 0.561 201 P HA 0.323 nan 4.420 nan 0.000 0.286 201 P C -0.796 176.390 177.300 -0.189 0.000 1.261 201 P CA -0.348 62.641 63.100 -0.185 0.000 0.821 201 P CB 1.938 33.368 31.700 -0.449 0.000 1.013 202 S N 0.909 116.476 115.700 -0.222 0.000 2.619 202 S HA 0.288 4.758 4.470 -0.000 0.000 0.280 202 S C 0.723 175.227 174.600 -0.160 0.000 1.150 202 S CA -0.608 57.411 58.200 -0.300 0.000 0.978 202 S CB 0.631 63.395 63.200 -0.727 0.000 1.041 202 S HN 0.472 nan 8.310 nan 0.000 0.485 203 D N 3.141 123.479 120.400 -0.104 0.000 2.310 203 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 203 D C 1.304 177.530 176.300 -0.123 0.000 0.965 203 D CA 1.605 55.566 54.000 -0.066 0.000 0.879 203 D CB -0.554 40.228 40.800 -0.030 0.000 0.921 203 D HN 0.555 nan 8.370 nan 0.000 0.510 204 T N -3.688 110.728 114.554 -0.229 0.000 3.122 204 T HA 0.157 4.507 4.350 -0.000 0.000 0.250 204 T C -0.113 174.168 174.700 -0.699 0.000 1.067 204 T CA -0.369 61.494 62.100 -0.395 0.000 0.966 204 T CB -0.566 68.047 68.868 -0.425 0.000 1.002 204 T HN 0.232 nan 8.240 nan 0.000 0.542 205 H N 0.501 119.495 119.070 -0.127 0.000 2.379 205 H HA 0.453 5.009 4.556 -0.000 0.000 0.229 205 H C 0.805 176.125 175.328 -0.013 0.000 1.423 205 H CA -0.474 55.536 56.048 -0.064 0.000 1.375 205 H CB 0.357 30.053 29.762 -0.111 0.000 1.592 205 H HN 0.069 nan 8.280 nan 0.000 0.507 206 L N 0.437 121.696 121.223 0.060 0.000 2.291 206 L HA -0.118 4.222 4.340 -0.000 0.000 0.214 206 L C 1.788 178.731 176.870 0.122 0.000 1.120 206 L CA 0.831 55.724 54.840 0.089 0.000 0.799 206 L CB -0.073 42.022 42.059 0.061 0.000 0.925 206 L HN 0.616 nan 8.230 nan 0.000 0.446 207 D N -0.942 119.516 120.400 0.096 0.000 2.097 207 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 207 D C 2.149 178.522 176.300 0.122 0.000 0.984 207 D CA 1.504 55.535 54.000 0.052 0.000 0.826 207 D CB -0.482 40.278 40.800 -0.066 0.000 0.973 207 D HN 0.099 nan 8.370 nan 0.000 0.460 208 S N -0.252 115.528 115.700 0.134 0.000 2.359 208 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 208 S C 1.929 176.705 174.600 0.292 0.000 1.039 208 S CA 1.128 59.471 58.200 0.238 0.000 1.042 208 S CB -0.589 62.786 63.200 0.293 0.000 0.915 208 S HN 0.244 nan 8.310 nan 0.000 0.439 209 L N 1.764 123.123 121.223 0.227 0.000 2.043 209 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 209 L C 2.370 179.416 176.870 0.294 0.000 1.075 209 L CA 1.639 56.603 54.840 0.207 0.000 0.752 209 L CB -0.922 41.260 42.059 0.205 0.000 0.891 209 L HN 0.247 nan 8.230 nan 0.000 0.432 210 V N -0.014 120.076 119.914 0.292 0.000 2.324 210 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 210 V C 2.616 178.859 176.094 0.249 0.000 1.060 210 V CA 1.887 64.347 62.300 0.268 0.000 1.042 210 V CB -1.630 30.355 31.823 0.271 0.000 0.650 210 V HN 0.664 nan 8.190 nan 0.000 0.450 211 G N -0.862 108.151 108.800 0.355 0.000 2.469 211 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 211 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 211 G C 1.415 176.466 174.900 0.253 0.000 1.136 211 G CA 0.711 45.954 45.100 0.238 0.000 0.759 211 G HN 0.502 nan 8.290 nan 0.000 0.562 212 Q N 0.228 120.152 119.800 0.205 0.000 2.369 212 Q HA 0.152 4.492 4.340 -0.000 0.000 0.206 212 Q C 2.687 178.870 176.000 0.306 0.000 0.963 212 Q CA 1.005 56.892 55.803 0.141 0.000 0.894 212 Q CB -0.311 28.309 28.738 -0.197 0.000 0.965 212 Q HN 0.509 nan 8.270 nan 0.000 0.475 213 A N -0.149 122.850 122.820 0.299 0.000 2.072 213 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 213 A C 1.948 179.473 177.584 -0.099 0.000 1.156 213 A CA 0.567 52.614 52.037 0.016 0.000 0.701 213 A CB -0.047 18.863 19.000 -0.151 0.000 0.816 213 A HN 0.279 nan 8.150 nan 0.000 0.458 214 L N -2.572 118.583 121.223 -0.113 0.000 2.445 214 L HA 0.295 4.635 4.340 -0.000 0.000 0.207 214 L C 0.033 176.709 176.870 -0.324 0.000 1.053 214 L CA -0.233 54.433 54.840 -0.290 0.000 0.841 214 L CB -0.095 41.659 42.059 -0.507 0.000 1.074 214 L HN 0.228 nan 8.230 nan 0.000 0.479 215 F N 0.678 120.596 119.950 -0.053 0.000 2.443 215 F HA 0.448 4.975 4.527 -0.000 0.000 0.353 215 F C 0.948 176.743 175.800 -0.007 0.000 1.101 215 F CA -0.184 57.799 58.000 -0.029 0.000 1.226 215 F CB 0.900 39.880 39.000 -0.034 0.000 1.140 215 F HN -0.150 nan 8.300 nan 0.000 0.557 216 G N 1.851 110.764 108.800 0.188 0.000 2.680 216 G HA2 0.504 4.464 3.960 -0.000 0.000 0.290 216 G HA3 0.504 4.464 3.960 -0.000 0.000 0.290 216 G C -1.907 173.074 174.900 0.136 0.000 1.355 216 G CA -0.802 44.373 45.100 0.126 0.000 0.903 216 G HN 0.386 nan 8.290 nan 0.000 0.474 217 D N -0.941 119.546 120.400 0.145 0.000 2.277 217 D HA 0.726 5.366 4.640 -0.000 0.000 0.250 217 D C 0.455 176.807 176.300 0.087 0.000 1.032 217 D CA 0.381 54.457 54.000 0.127 0.000 0.947 217 D CB 1.811 42.711 40.800 0.166 0.000 1.159 217 D HN 0.858 nan 8.370 nan 0.000 0.460 218 G N -1.241 107.599 108.800 0.067 0.000 2.384 218 G HA2 0.580 4.540 3.960 -0.000 0.000 0.300 218 G HA3 0.580 4.540 3.960 -0.000 0.000 0.300 218 G C -1.872 173.127 174.900 0.165 0.000 1.582 218 G CA -0.378 44.773 45.100 0.084 0.000 0.875 218 G HN 0.557 nan 8.290 nan 0.000 0.628 219 A N -0.361 122.603 122.820 0.240 0.000 2.401 219 A HA 1.089 5.409 4.320 -0.000 0.000 0.310 219 A C 0.030 177.679 177.584 0.110 0.000 1.075 219 A CA 0.073 52.203 52.037 0.154 0.000 0.746 219 A CB 1.774 20.807 19.000 0.054 0.000 1.277 219 A HN 2.491 nan 8.150 nan 0.000 0.425 220 A N 0.473 123.313 122.820 0.034 0.000 2.414 220 A HA 0.908 5.228 4.320 -0.000 0.000 0.306 220 A C -0.317 177.212 177.584 -0.092 0.000 1.054 220 A CA 0.038 51.991 52.037 -0.141 0.000 0.724 220 A CB 1.468 20.380 19.000 -0.146 0.000 1.267 220 A HN 2.408 nan 8.150 nan 0.000 0.418 221 A N 1.609 124.354 122.820 -0.124 0.000 2.386 221 A HA 0.834 5.154 4.320 -0.000 0.000 0.311 221 A C -0.966 176.557 177.584 -0.103 0.000 1.068 221 A CA -0.426 51.553 52.037 -0.096 0.000 0.743 221 A CB 0.903 19.852 19.000 -0.085 0.000 1.258 221 A HN 0.892 nan 8.150 nan 0.000 0.429 222 L N 1.897 123.058 121.223 -0.104 0.000 2.333 222 L HA 0.620 4.960 4.340 -0.000 0.000 0.263 222 L C -0.928 175.834 176.870 -0.180 0.000 1.014 222 L CA -0.909 53.860 54.840 -0.117 0.000 0.820 222 L CB 1.871 43.871 42.059 -0.099 0.000 1.352 222 L HN 0.455 nan 8.230 nan 0.000 0.421 223 I N 2.309 122.732 120.570 -0.246 0.000 2.362 223 I HA 0.439 4.609 4.170 -0.000 0.000 0.289 223 I C -0.402 175.520 176.117 -0.326 0.000 0.994 223 I CA -0.505 60.535 61.300 -0.434 0.000 1.158 223 I CB 1.844 39.330 38.000 -0.856 0.000 1.315 223 I HN 0.178 nan 8.210 nan 0.000 0.451 224 V N 5.167 124.908 119.914 -0.288 0.000 2.540 224 V HA 0.927 5.047 4.120 -0.000 0.000 0.302 224 V C 0.292 176.275 176.094 -0.185 0.000 1.035 224 V CA -0.406 61.779 62.300 -0.192 0.000 0.873 224 V CB 1.894 33.628 31.823 -0.149 0.000 0.992 224 V HN 0.964 nan 8.190 nan 0.000 0.428 225 G N 2.222 110.948 108.800 -0.123 0.000 2.698 225 G HA2 0.587 4.547 3.960 -0.000 0.000 0.293 225 G HA3 0.587 4.547 3.960 -0.000 0.000 0.293 225 G C -1.158 173.721 174.900 -0.036 0.000 1.437 225 G CA -0.450 44.604 45.100 -0.076 0.000 0.852 225 G HN 0.564 nan 8.290 nan 0.000 0.499 226 S N 0.117 115.804 115.700 -0.022 0.000 2.687 226 S HA 0.541 5.011 4.470 -0.000 0.000 0.283 226 S C -0.447 174.162 174.600 0.015 0.000 1.170 226 S CA -0.319 57.877 58.200 -0.007 0.000 1.008 226 S CB 1.040 64.233 63.200 -0.013 0.000 1.026 226 S HN 0.696 nan 8.310 nan 0.000 0.541 227 D N 1.358 121.769 120.400 0.019 0.000 2.746 227 D HA -0.093 4.547 4.640 -0.000 0.000 0.241 227 D C -2.382 173.941 176.300 0.039 0.000 1.140 227 D CA 0.196 54.211 54.000 0.026 0.000 0.707 227 D CB -1.472 39.343 40.800 0.026 0.000 1.034 227 D HN 0.302 nan 8.370 nan 0.000 0.423 228 P HA 0.034 nan 4.420 nan 0.000 0.267 228 P C 0.215 177.545 177.300 0.049 0.000 1.200 228 P CA -0.305 62.831 63.100 0.059 0.000 0.772 228 P CB 0.784 32.513 31.700 0.048 0.000 0.855 229 V N 5.237 125.186 119.914 0.058 0.000 2.427 229 V HA 0.119 4.239 4.120 -0.000 0.000 0.268 229 V C -1.887 174.219 176.094 0.020 0.000 1.046 229 V CA -1.532 60.787 62.300 0.032 0.000 0.970 229 V CB 0.108 31.947 31.823 0.026 0.000 1.001 229 V HN 0.542 nan 8.190 nan 0.000 0.476 230 P HA 0.080 nan 4.420 nan 0.000 0.261 230 P C 0.491 177.788 177.300 -0.004 0.000 1.183 230 P CA 0.429 63.531 63.100 0.003 0.000 0.761 230 P CB 0.171 31.871 31.700 -0.000 0.000 0.785 231 E N 0.915 121.111 120.200 -0.007 0.000 3.916 231 E HA -0.202 4.148 4.350 -0.000 0.000 0.331 231 E C 0.578 177.167 176.600 -0.018 0.000 0.729 231 E CA 0.450 56.841 56.400 -0.014 0.000 1.222 231 E CB -1.080 28.610 29.700 -0.015 0.000 1.633 231 E HN 0.376 nan 8.360 nan 0.000 0.437 232 I N 0.119 120.680 120.570 -0.016 0.000 3.345 232 I HA 0.142 4.312 4.170 -0.000 0.000 0.258 232 I C 0.946 177.049 176.117 -0.024 0.000 1.134 232 I CA 0.755 62.035 61.300 -0.033 0.000 1.457 232 I CB -0.304 37.673 38.000 -0.038 0.000 1.425 232 I HN 0.002 nan 8.210 nan 0.000 0.461 233 E N 1.920 122.133 120.200 0.021 0.000 2.248 233 E HA 0.286 4.636 4.350 -0.000 0.000 0.272 233 E C -0.169 176.469 176.600 0.063 0.000 1.008 233 E CA -0.410 56.045 56.400 0.092 0.000 0.856 233 E CB 1.882 31.685 29.700 0.172 0.000 1.120 233 E HN 0.001 nan 8.360 nan 0.000 0.397 234 K N 3.320 123.764 120.400 0.074 0.000 2.572 234 K HA 0.317 4.637 4.320 -0.000 0.000 0.244 234 K C -2.731 173.872 176.600 0.005 0.000 0.965 234 K CA -2.132 54.168 56.287 0.022 0.000 0.943 234 K CB 1.160 33.664 32.500 0.007 0.000 1.154 234 K HN 0.148 nan 8.250 nan 0.000 0.447 235 P HA 0.029 nan 4.420 nan 0.000 0.265 235 P C -0.094 177.144 177.300 -0.103 0.000 1.193 235 P CA 0.159 63.236 63.100 -0.039 0.000 0.765 235 P CB 0.734 32.412 31.700 -0.038 0.000 0.823 236 I N 0.817 121.306 120.570 -0.135 0.000 3.366 236 I HA 0.183 4.353 4.170 -0.000 0.000 0.267 236 I C 0.184 175.959 176.117 -0.570 0.000 1.149 236 I CA 0.557 61.659 61.300 -0.329 0.000 1.436 236 I CB 0.175 38.035 38.000 -0.234 0.000 1.379 236 I HN 0.176 nan 8.210 nan 0.000 0.460 237 F N 0.384 120.317 119.950 -0.027 0.000 2.599 237 F HA 0.456 4.983 4.527 -0.000 0.000 0.311 237 F C -0.371 175.431 175.800 0.004 0.000 1.076 237 F CA -0.846 57.155 58.000 0.002 0.000 0.937 237 F CB 1.552 40.581 39.000 0.047 0.000 1.282 237 F HN -0.216 nan 8.300 nan 0.000 0.460 238 E N 1.873 122.208 120.200 0.225 0.000 2.195 238 E HA 0.536 4.886 4.350 -0.000 0.000 0.271 238 E C -1.020 175.661 176.600 0.135 0.000 0.923 238 E CA -0.890 55.586 56.400 0.125 0.000 0.790 238 E CB 2.294 32.037 29.700 0.072 0.000 1.155 238 E HN 0.475 nan 8.360 nan 0.000 0.402 239 M N 2.237 121.887 119.600 0.083 0.000 2.233 239 M HA 0.189 4.669 4.480 -0.000 0.000 0.355 239 M C 0.244 176.596 176.300 0.087 0.000 1.191 239 M CA -0.199 55.139 55.300 0.063 0.000 1.101 239 M CB 1.484 34.088 32.600 0.006 0.000 1.592 239 M HN 0.391 nan 8.290 nan 0.000 0.461 240 V N 1.845 121.833 119.914 0.125 0.000 3.250 240 V HA 0.233 4.353 4.120 -0.000 0.000 0.240 240 V C -0.585 175.625 176.094 0.194 0.000 1.275 240 V CA 0.196 62.598 62.300 0.171 0.000 1.206 240 V CB 0.638 32.629 31.823 0.280 0.000 0.976 240 V HN 0.901 nan 8.190 nan 0.000 0.467 241 W N 0.228 121.474 121.300 -0.092 0.000 3.363 241 W HA 0.563 5.222 4.660 -0.000 0.000 0.306 241 W C -0.920 175.503 176.519 -0.159 0.000 1.253 241 W CA 0.059 57.323 57.345 -0.134 0.000 1.195 241 W CB 1.609 30.953 29.460 -0.194 0.000 1.366 241 W HN 0.052 nan 8.180 nan 0.000 0.551 242 T N 1.367 115.509 114.554 -0.687 0.000 2.883 242 T HA 0.926 5.276 4.350 -0.000 0.000 0.296 242 T C -1.039 172.920 174.700 -1.234 0.000 1.117 242 T CA -0.437 61.254 62.100 -0.682 0.000 1.006 242 T CB 1.659 70.286 68.868 -0.401 0.000 1.191 242 T HN 1.330 nan 8.240 nan 0.000 0.508 243 A N 0.943 123.320 122.820 -0.739 0.000 2.606 243 A HA 0.811 5.131 4.320 -0.000 0.000 0.293 243 A C -1.347 176.090 177.584 -0.245 0.000 1.082 243 A CA -0.829 50.888 52.037 -0.534 0.000 0.685 243 A CB 2.078 20.860 19.000 -0.364 0.000 1.284 243 A HN 0.988 nan 8.150 nan 0.000 0.408 244 Q N 0.463 120.151 119.800 -0.186 0.000 2.347 244 Q HA 0.690 5.030 4.340 -0.000 0.000 0.271 244 Q C -1.327 174.613 176.000 -0.100 0.000 1.064 244 Q CA -0.317 55.399 55.803 -0.145 0.000 0.800 244 Q CB 2.363 30.995 28.738 -0.177 0.000 1.304 244 Q HN 0.894 nan 8.270 nan 0.000 0.438 245 T N 2.632 117.141 114.554 -0.075 0.000 2.816 245 T HA 0.624 4.974 4.350 -0.000 0.000 0.299 245 T C -1.392 173.278 174.700 -0.051 0.000 1.230 245 T CA -0.464 61.610 62.100 -0.044 0.000 1.007 245 T CB 1.121 69.993 68.868 0.007 0.000 1.289 245 T HN 0.541 nan 8.240 nan 0.000 0.508 246 I N 2.604 123.157 120.570 -0.029 0.000 2.362 246 I HA 0.583 4.753 4.170 -0.000 0.000 0.289 246 I C 0.625 176.745 176.117 0.005 0.000 0.994 246 I CA -0.932 60.358 61.300 -0.017 0.000 1.158 246 I CB 1.563 39.555 38.000 -0.013 0.000 1.315 246 I HN 0.773 nan 8.210 nan 0.000 0.451 247 A N 8.957 131.786 122.820 0.015 0.000 2.462 247 A HA 0.492 4.812 4.320 -0.000 0.000 0.243 247 A C -2.289 175.304 177.584 0.015 0.000 1.076 247 A CA -0.995 51.052 52.037 0.016 0.000 0.773 247 A CB -0.442 18.567 19.000 0.015 0.000 1.010 247 A HN 0.425 nan 8.150 nan 0.000 0.493 248 P HA 0.157 nan 4.420 nan 0.000 0.272 248 P C -0.667 176.640 177.300 0.011 0.000 1.230 248 P CA 0.072 63.179 63.100 0.012 0.000 0.788 248 P CB 0.346 32.053 31.700 0.011 0.000 0.949 249 D N -0.522 119.885 120.400 0.012 0.000 2.837 249 D HA -0.126 4.514 4.640 -0.000 0.000 0.230 249 D C 0.263 176.571 176.300 0.014 0.000 1.152 249 D CA 1.544 55.551 54.000 0.011 0.000 0.736 249 D CB -1.905 38.899 40.800 0.006 0.000 1.084 249 D HN 0.558 nan 8.370 nan 0.000 0.429 250 S N -1.508 114.204 115.700 0.020 0.000 2.749 250 S HA 0.132 4.602 4.470 -0.000 0.000 0.246 250 S C 0.304 174.926 174.600 0.036 0.000 1.023 250 S CA -0.573 57.643 58.200 0.027 0.000 1.012 250 S CB 0.919 64.138 63.200 0.032 0.000 0.942 250 S HN 0.270 nan 8.310 nan 0.000 0.531 251 E N 1.468 121.687 120.200 0.032 0.000 2.406 251 E HA 0.373 4.723 4.350 -0.000 0.000 0.258 251 E C 1.189 177.812 176.600 0.039 0.000 1.043 251 E CA 1.013 57.436 56.400 0.038 0.000 0.929 251 E CB -0.428 29.291 29.700 0.031 0.000 0.969 251 E HN 0.643 nan 8.360 nan 0.000 0.462 252 G N 3.041 111.872 108.800 0.052 0.000 2.176 252 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.253 252 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.253 252 G C 0.926 175.849 174.900 0.037 0.000 0.979 252 G CA 0.450 45.578 45.100 0.047 0.000 0.641 252 G HN 0.783 nan 8.290 nan 0.000 0.530 253 A N -0.592 122.256 122.820 0.047 0.000 1.917 253 A HA 0.367 4.687 4.320 -0.000 0.000 0.219 253 A C 1.188 178.794 177.584 0.038 0.000 1.182 253 A CA 1.689 53.751 52.037 0.041 0.000 0.633 253 A CB -0.069 18.964 19.000 0.056 0.000 0.819 253 A HN 1.029 nan 8.150 nan 0.000 0.448 254 I N 0.402 121.020 120.570 0.079 0.000 2.478 254 I HA 0.329 4.499 4.170 -0.000 0.000 0.287 254 I C -1.756 174.422 176.117 0.102 0.000 1.042 254 I CA -0.626 60.729 61.300 0.091 0.000 1.067 254 I CB 2.092 40.253 38.000 0.268 0.000 1.233 254 I HN 0.155 nan 8.210 nan 0.000 0.431 255 D N 6.393 126.764 120.400 -0.049 0.000 2.857 255 D HA 0.531 5.171 4.640 -0.000 0.000 0.227 255 D C -1.261 174.942 176.300 -0.161 0.000 1.192 255 D CA -0.324 53.666 54.000 -0.017 0.000 0.857 255 D CB 2.906 43.642 40.800 -0.107 0.000 1.645 255 D HN 0.055 nan 8.370 nan 0.000 0.482 256 F N 0.724 120.567 119.950 -0.177 0.000 2.547 256 F HA 0.310 4.837 4.527 -0.000 0.000 0.316 256 F C 0.129 175.816 175.800 -0.188 0.000 1.121 256 F CA -0.616 57.297 58.000 -0.145 0.000 0.911 256 F CB 1.726 40.713 39.000 -0.023 0.000 1.179 256 F HN 0.142 nan 8.300 nan 0.000 0.443 257 H N 3.088 122.307 119.070 0.248 0.000 2.529 257 H HA 0.400 4.956 4.556 -0.000 0.000 0.348 257 H C -1.095 174.292 175.328 0.099 0.000 1.079 257 H CA -0.979 55.162 56.048 0.154 0.000 1.198 257 H CB 2.633 32.476 29.762 0.135 0.000 1.521 257 H HN 0.499 nan 8.280 nan 0.000 0.514 258 L N 4.780 126.114 121.223 0.185 0.000 2.283 258 L HA 0.277 4.617 4.340 -0.000 0.000 0.287 258 L C -0.159 176.749 176.870 0.064 0.000 1.073 258 L CA -0.051 54.841 54.840 0.087 0.000 0.822 258 L CB -0.301 41.778 42.059 0.034 0.000 1.186 258 L HN 0.458 nan 8.230 nan 0.000 0.436 259 R N 3.020 123.549 120.500 0.048 0.000 3.018 259 R HA 0.340 4.679 4.340 -0.000 0.000 0.243 259 R C 0.690 176.992 176.300 0.003 0.000 1.315 259 R CA -0.749 55.365 56.100 0.024 0.000 1.039 259 R CB 0.434 30.751 30.300 0.027 0.000 1.315 259 R HN 0.528 nan 8.270 nan 0.000 0.492 260 E N 0.754 120.951 120.200 -0.005 0.000 2.265 260 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 260 E C 0.901 177.493 176.600 -0.013 0.000 0.996 260 E CA 1.481 57.875 56.400 -0.010 0.000 0.832 260 E CB 0.087 29.781 29.700 -0.010 0.000 0.756 260 E HN 0.556 nan 8.360 nan 0.000 0.491 261 A N 0.735 123.542 122.820 -0.021 0.000 2.337 261 A HA 0.438 4.758 4.320 -0.000 0.000 0.227 261 A C 0.883 178.448 177.584 -0.032 0.000 1.259 261 A CA 0.569 52.583 52.037 -0.038 0.000 0.870 261 A CB -0.219 18.734 19.000 -0.078 0.000 0.927 261 A HN 0.256 nan 8.150 nan 0.000 0.497 262 G N -1.065 107.729 108.800 -0.010 0.000 2.627 262 G HA2 0.037 3.997 3.960 -0.000 0.000 0.214 262 G HA3 0.037 3.997 3.960 -0.000 0.000 0.214 262 G C -0.554 174.355 174.900 0.014 0.000 1.331 262 G CA -0.292 44.810 45.100 0.003 0.000 0.891 262 G HN 1.029 nan 8.290 nan 0.000 0.539 263 L N 1.925 123.164 121.223 0.028 0.000 2.325 263 L HA 0.599 4.939 4.340 -0.000 0.000 0.284 263 L C 1.465 178.370 176.870 0.058 0.000 1.089 263 L CA 0.592 55.472 54.840 0.067 0.000 0.836 263 L CB 0.198 42.297 42.059 0.067 0.000 1.184 263 L HN 1.113 nan 8.230 nan 0.000 0.444 264 T N 1.857 116.436 114.554 0.042 0.000 2.899 264 T HA 0.491 4.841 4.350 -0.000 0.000 0.284 264 T C -0.441 174.127 174.700 -0.220 0.000 1.004 264 T CA -0.554 61.485 62.100 -0.102 0.000 1.043 264 T CB 1.179 70.004 68.868 -0.072 0.000 1.013 264 T HN 0.365 nan 8.240 nan 0.000 0.518 265 F N 2.263 121.817 119.950 -0.660 0.000 2.518 265 F HA 0.511 5.038 4.527 -0.000 0.000 0.323 265 F C -0.843 174.400 175.800 -0.928 0.000 1.129 265 F CA -0.982 56.493 58.000 -0.876 0.000 0.920 265 F CB 1.277 39.889 39.000 -0.647 0.000 1.160 265 F HN 0.707 nan 8.300 nan 0.000 0.440 266 H N 6.634 125.062 119.070 -1.070 0.000 2.768 266 H HA 0.541 5.097 4.556 -0.000 0.000 0.371 266 H C -1.290 173.525 175.328 -0.856 0.000 1.151 266 H CA -0.949 54.633 56.048 -0.776 0.000 1.165 266 H CB 2.728 32.279 29.762 -0.352 0.000 1.722 266 H HN 0.611 nan 8.280 nan 0.000 0.543 267 L N 3.359 124.313 121.223 -0.448 0.000 2.415 267 L HA 0.254 4.594 4.340 -0.000 0.000 0.268 267 L C 0.597 177.409 176.870 -0.097 0.000 0.984 267 L CA -0.203 54.483 54.840 -0.258 0.000 0.853 267 L CB 1.359 43.289 42.059 -0.215 0.000 1.215 267 L HN 0.474 nan 8.230 nan 0.000 0.419 268 L N 1.812 123.004 121.223 -0.051 0.000 2.664 268 L HA 0.314 4.654 4.340 -0.000 0.000 0.233 268 L C 0.388 177.253 176.870 -0.009 0.000 1.113 268 L CA 0.271 55.098 54.840 -0.022 0.000 0.896 268 L CB 0.164 42.214 42.059 -0.016 0.000 1.163 268 L HN 0.516 nan 8.230 nan 0.000 0.497 269 K N -0.329 120.069 120.400 -0.003 0.000 2.495 269 K HA 0.236 4.556 4.320 -0.000 0.000 0.268 269 K C -1.142 175.461 176.600 0.005 0.000 1.008 269 K CA -0.895 55.394 56.287 0.003 0.000 0.882 269 K CB 2.064 34.570 32.500 0.009 0.000 1.443 269 K HN -0.294 nan 8.250 nan 0.000 0.447 270 D N 1.680 122.081 120.400 0.001 0.000 2.383 270 D HA 0.044 4.684 4.640 -0.000 0.000 0.245 270 D C 0.656 176.953 176.300 -0.006 0.000 1.263 270 D CA 0.096 54.095 54.000 -0.002 0.000 0.936 270 D CB 0.630 41.425 40.800 -0.009 0.000 1.053 270 D HN 0.253 nan 8.370 nan 0.000 0.507 271 V N 5.758 125.676 119.914 0.007 0.000 2.295 271 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 271 V C -0.709 175.350 176.094 -0.057 0.000 1.049 271 V CA 1.412 63.712 62.300 -0.000 0.000 1.024 271 V CB -1.155 30.701 31.823 0.056 0.000 0.648 271 V HN 0.538 nan 8.190 nan 0.000 0.447 272 P HA -0.122 nan 4.420 nan 0.000 0.216 272 P C 1.692 178.935 177.300 -0.095 0.000 1.150 272 P CA 1.875 64.921 63.100 -0.091 0.000 0.837 272 P CB -0.295 31.370 31.700 -0.058 0.000 0.786 273 G N -0.403 108.360 108.800 -0.062 0.000 2.404 273 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 273 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 273 G C 1.537 176.400 174.900 -0.062 0.000 1.174 273 G CA 0.449 45.517 45.100 -0.054 0.000 0.780 273 G HN 0.221 nan 8.290 nan 0.000 0.537 274 I N 0.376 120.912 120.570 -0.058 0.000 2.179 274 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 274 I C 2.796 178.857 176.117 -0.095 0.000 1.088 274 I CA 0.557 61.824 61.300 -0.054 0.000 1.357 274 I CB -0.273 37.710 38.000 -0.030 0.000 1.051 274 I HN 0.025 nan 8.210 nan 0.000 0.409 275 V N 0.927 120.741 119.914 -0.166 0.000 2.261 275 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 275 V C 2.670 178.627 176.094 -0.227 0.000 1.047 275 V CA 2.349 64.475 62.300 -0.290 0.000 1.015 275 V CB -0.855 30.608 31.823 -0.600 0.000 0.642 275 V HN 0.620 nan 8.190 nan 0.000 0.446 276 S N -0.392 115.198 115.700 -0.183 0.000 2.399 276 S HA -0.255 4.215 4.470 -0.000 0.000 0.231 276 S C 1.992 176.544 174.600 -0.079 0.000 1.022 276 S CA 1.604 59.729 58.200 -0.125 0.000 0.983 276 S CB -0.448 62.691 63.200 -0.103 0.000 0.803 276 S HN 0.578 nan 8.310 nan 0.000 0.480 277 K N 1.064 121.424 120.400 -0.066 0.000 2.211 277 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 277 K C 1.232 177.814 176.600 -0.029 0.000 1.050 277 K CA 1.000 57.265 56.287 -0.037 0.000 0.945 277 K CB -0.092 32.389 32.500 -0.031 0.000 0.732 277 K HN 0.435 nan 8.250 nan 0.000 0.451 278 N N 0.260 118.934 118.700 -0.043 0.000 2.205 278 N HA -0.010 4.730 4.740 -0.000 0.000 0.201 278 N C 1.284 176.775 175.510 -0.033 0.000 1.128 278 N CA 0.135 53.170 53.050 -0.024 0.000 0.867 278 N CB 0.502 38.979 38.487 -0.017 0.000 0.996 278 N HN 0.073 nan 8.380 nan 0.000 0.503 279 I N 1.372 121.897 120.570 -0.075 0.000 2.394 279 I HA -0.169 4.000 4.170 -0.000 0.000 0.251 279 I C 1.926 178.020 176.117 -0.037 0.000 1.136 279 I CA 1.410 62.642 61.300 -0.113 0.000 1.425 279 I CB -0.157 37.757 38.000 -0.143 0.000 1.079 279 I HN -0.036 nan 8.210 nan 0.000 0.425 280 T N 0.388 114.939 114.554 -0.006 0.000 2.746 280 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 280 T C 1.933 176.658 174.700 0.043 0.000 1.039 280 T CA 1.707 63.818 62.100 0.018 0.000 1.142 280 T CB -0.236 68.671 68.868 0.065 0.000 0.866 280 T HN 0.348 nan 8.240 nan 0.000 0.444 281 K N 1.143 121.572 120.400 0.047 0.000 2.032 281 K HA -0.097 4.223 4.320 -0.000 0.000 0.209 281 K C 2.480 179.131 176.600 0.085 0.000 1.048 281 K CA 1.376 57.699 56.287 0.061 0.000 0.927 281 K CB -0.363 32.167 32.500 0.051 0.000 0.712 281 K HN 0.272 nan 8.250 nan 0.000 0.441 282 A N 1.204 124.087 122.820 0.106 0.000 1.908 282 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 282 A C 2.141 179.848 177.584 0.204 0.000 1.181 282 A CA 1.466 53.621 52.037 0.196 0.000 0.627 282 A CB -0.636 18.528 19.000 0.274 0.000 0.818 282 A HN 0.351 nan 8.150 nan 0.000 0.445 283 L N -0.271 121.040 121.223 0.147 0.000 2.083 283 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 283 L C 2.714 179.664 176.870 0.133 0.000 1.083 283 L CA 1.473 56.366 54.840 0.087 0.000 0.752 283 L CB -0.492 41.323 42.059 -0.407 0.000 0.899 283 L HN 0.464 nan 8.230 nan 0.000 0.433 284 V N -1.962 118.018 119.914 0.110 0.000 2.453 284 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 284 V C 2.175 178.260 176.094 -0.015 0.000 1.048 284 V CA 1.882 64.250 62.300 0.113 0.000 1.049 284 V CB -0.352 31.540 31.823 0.115 0.000 0.672 284 V HN 0.551 nan 8.190 nan 0.000 0.457 285 E N 0.796 120.978 120.200 -0.030 0.000 2.085 285 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 285 E C 2.151 178.445 176.600 -0.509 0.000 0.994 285 E CA 1.751 58.082 56.400 -0.116 0.000 0.801 285 E CB -0.423 29.324 29.700 0.079 0.000 0.743 285 E HN 0.744 nan 8.360 nan 0.000 0.453 286 A N -0.473 121.993 122.820 -0.590 0.000 1.897 286 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 286 A C 1.625 178.551 177.584 -1.096 0.000 1.181 286 A CA 0.968 52.266 52.037 -1.232 0.000 0.620 286 A CB -0.321 18.144 19.000 -0.891 0.000 0.821 286 A HN 0.357 nan 8.150 nan 0.000 0.443 287 F N -1.409 118.314 119.950 -0.378 0.000 2.717 287 F HA 0.219 4.746 4.527 -0.000 0.000 0.297 287 F C 1.981 177.634 175.800 -0.246 0.000 1.113 287 F CA 0.521 58.340 58.000 -0.301 0.000 1.319 287 F CB 0.162 39.097 39.000 -0.107 0.000 1.097 287 F HN 0.179 nan 8.300 nan 0.000 0.595 288 E N 1.435 121.600 120.200 -0.059 0.000 2.085 288 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 288 E C -0.751 175.762 176.600 -0.144 0.000 0.994 288 E CA 1.567 57.925 56.400 -0.071 0.000 0.801 288 E CB -1.170 28.502 29.700 -0.047 0.000 0.743 288 E HN 0.137 nan 8.360 nan 0.000 0.453 289 P HA -0.087 nan 4.420 nan 0.000 0.225 289 P C 0.486 177.633 177.300 -0.254 0.000 1.148 289 P CA 1.022 63.976 63.100 -0.244 0.000 0.779 289 P CB 0.085 31.585 31.700 -0.332 0.000 0.780 290 L N -2.718 118.322 121.223 -0.306 0.000 2.607 290 L HA 0.343 4.683 4.340 -0.000 0.000 0.228 290 L C 1.322 178.061 176.870 -0.217 0.000 1.123 290 L CA 0.385 55.020 54.840 -0.341 0.000 0.890 290 L CB -0.723 40.975 42.059 -0.600 0.000 1.103 290 L HN 0.055 nan 8.230 nan 0.000 0.468 291 G N 2.033 110.747 108.800 -0.142 0.000 2.160 291 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.251 291 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.251 291 G C -0.028 174.826 174.900 -0.077 0.000 1.008 291 G CA 0.514 45.560 45.100 -0.089 0.000 0.724 291 G HN 0.381 nan 8.290 nan 0.000 0.514 292 I N -0.555 119.977 120.570 -0.063 0.000 2.378 292 I HA 0.783 4.953 4.170 -0.000 0.000 0.291 292 I C 0.712 176.786 176.117 -0.073 0.000 0.992 292 I CA 0.086 61.347 61.300 -0.066 0.000 1.154 292 I CB 2.027 39.978 38.000 -0.082 0.000 1.315 292 I HN 0.352 nan 8.210 nan 0.000 0.448 293 S N 2.443 118.018 115.700 -0.208 0.000 2.632 293 S HA 0.234 4.704 4.470 -0.000 0.000 0.237 293 S C 0.244 174.376 174.600 -0.781 0.000 1.037 293 S CA -0.168 57.775 58.200 -0.430 0.000 1.009 293 S CB -0.327 62.728 63.200 -0.242 0.000 0.974 293 S HN 0.731 nan 8.310 nan 0.000 0.544 294 D N 1.387 121.495 120.400 -0.487 0.000 2.411 294 D HA 0.217 4.857 4.640 -0.000 0.000 0.225 294 D C -0.135 175.983 176.300 -0.303 0.000 1.156 294 D CA -0.649 53.127 54.000 -0.375 0.000 0.874 294 D CB 0.181 40.886 40.800 -0.158 0.000 1.034 294 D HN 0.204 nan 8.370 nan 0.000 0.502 295 Y N 2.112 122.434 120.300 0.037 0.000 2.578 295 Y HA 0.074 4.624 4.550 -0.000 0.000 0.297 295 Y C 1.677 177.730 175.900 0.255 0.000 1.176 295 Y CA 0.040 58.222 58.100 0.137 0.000 1.315 295 Y CB -0.306 38.318 38.460 0.272 0.000 1.031 295 Y HN 0.437 nan 8.280 nan 0.000 0.524 296 N N -0.863 117.961 118.700 0.206 0.000 2.353 296 N HA -0.048 4.692 4.740 -0.000 0.000 0.185 296 N C 1.583 177.188 175.510 0.159 0.000 1.098 296 N CA 0.865 54.017 53.050 0.171 0.000 0.872 296 N CB 0.122 38.657 38.487 0.081 0.000 0.970 296 N HN 0.347 nan 8.380 nan 0.000 0.467 297 S N 0.160 115.932 115.700 0.120 0.000 2.575 297 S HA 0.125 4.595 4.470 -0.000 0.000 0.215 297 S C 0.894 175.579 174.600 0.142 0.000 0.966 297 S CA -0.474 57.791 58.200 0.108 0.000 0.911 297 S CB -0.360 62.874 63.200 0.057 0.000 0.780 297 S HN 0.286 nan 8.310 nan 0.000 0.514 298 I N -1.252 119.399 120.570 0.136 0.000 2.750 298 I HA 0.778 4.948 4.170 -0.000 0.000 0.308 298 I C -0.324 175.915 176.117 0.204 0.000 1.016 298 I CA -1.811 59.523 61.300 0.057 0.000 1.098 298 I CB 1.185 39.004 38.000 -0.302 0.000 1.279 298 I HN 0.060 nan 8.210 nan 0.000 0.454 299 F N 0.698 120.736 119.950 0.146 0.000 2.371 299 F HA 0.678 5.205 4.527 -0.000 0.000 0.329 299 F C -1.128 174.757 175.800 0.142 0.000 1.107 299 F CA -0.936 57.185 58.000 0.202 0.000 1.137 299 F CB 0.299 39.404 39.000 0.175 0.000 1.214 299 F HN 0.426 nan 8.300 nan 0.000 0.536 300 W N 3.152 124.597 121.300 0.241 0.000 2.632 300 W HA 0.701 5.361 4.660 -0.000 0.000 0.328 300 W C -1.518 175.103 176.519 0.169 0.000 1.044 300 W CA -0.666 56.767 57.345 0.147 0.000 1.225 300 W CB 2.012 31.565 29.460 0.154 0.000 1.396 300 W HN 0.288 nan 8.180 nan 0.000 0.499 301 I N 3.615 124.366 120.570 0.302 0.000 2.468 301 I HA 0.602 4.772 4.170 -0.000 0.000 0.285 301 I C -0.259 176.034 176.117 0.293 0.000 1.039 301 I CA -0.638 60.804 61.300 0.236 0.000 1.074 301 I CB 1.514 39.569 38.000 0.091 0.000 1.228 301 I HN 0.410 nan 8.210 nan 0.000 0.436 302 A N 3.929 126.962 122.820 0.355 0.000 2.356 302 A HA 0.612 4.932 4.320 -0.000 0.000 0.310 302 A C -0.922 176.822 177.584 0.267 0.000 1.075 302 A CA -0.675 51.600 52.037 0.397 0.000 0.746 302 A CB 0.528 19.884 19.000 0.594 0.000 1.221 302 A HN 0.758 nan 8.150 nan 0.000 0.443 303 H N 3.988 123.104 119.070 0.078 0.000 3.046 303 H HA 0.273 4.829 4.556 -0.000 0.000 0.303 303 H C -2.025 173.471 175.328 0.280 0.000 1.002 303 H CA -0.826 55.298 56.048 0.126 0.000 1.460 303 H CB 0.775 30.567 29.762 0.050 0.000 1.493 303 H HN 0.323 nan 8.280 nan 0.000 0.559 304 P HA 0.095 nan 4.420 nan 0.000 0.225 304 P C 0.982 178.101 177.300 -0.302 0.000 1.813 304 P CA 0.094 63.060 63.100 -0.223 0.000 1.013 304 P CB 0.271 31.871 31.700 -0.167 0.000 1.961 305 G N 1.945 110.736 108.800 -0.015 0.000 2.513 305 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.219 305 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.219 305 G C 0.694 175.568 174.900 -0.043 0.000 1.160 305 G CA 0.770 45.957 45.100 0.145 0.000 0.767 305 G HN 0.633 nan 8.290 nan 0.000 0.571 306 G N -1.960 106.823 108.800 -0.027 0.000 2.698 306 G HA2 0.546 4.506 3.960 -0.000 0.000 0.293 306 G HA3 0.546 4.506 3.960 -0.000 0.000 0.293 306 G C -2.074 172.800 174.900 -0.043 0.000 1.437 306 G CA -0.091 44.974 45.100 -0.059 0.000 0.852 306 G HN -0.106 nan 8.290 nan 0.000 0.499 307 P HA -0.072 nan 4.420 nan 0.000 0.220 307 P C 1.794 179.072 177.300 -0.036 0.000 1.148 307 P CA 1.484 64.559 63.100 -0.042 0.000 0.803 307 P CB 0.324 31.995 31.700 -0.048 0.000 0.782 308 A N 0.087 122.886 122.820 -0.035 0.000 1.969 308 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 308 A C 2.338 179.894 177.584 -0.048 0.000 1.169 308 A CA 0.981 52.996 52.037 -0.037 0.000 0.635 308 A CB -1.417 17.566 19.000 -0.029 0.000 0.810 308 A HN 0.119 nan 8.150 nan 0.000 0.445 309 I N -0.176 120.367 120.570 -0.047 0.000 2.179 309 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 309 I C 2.352 178.426 176.117 -0.071 0.000 1.088 309 I CA 1.195 62.443 61.300 -0.088 0.000 1.357 309 I CB -0.406 37.548 38.000 -0.076 0.000 1.051 309 I HN 0.313 nan 8.210 nan 0.000 0.409 310 L N 0.253 121.463 121.223 -0.022 0.000 2.017 310 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 310 L C 2.240 179.076 176.870 -0.057 0.000 1.073 310 L CA 1.395 56.226 54.840 -0.015 0.000 0.745 310 L CB -0.925 41.135 42.059 0.002 0.000 0.894 310 L HN 0.289 nan 8.230 nan 0.000 0.432 311 D N -0.136 120.231 120.400 -0.054 0.000 2.117 311 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 311 D C 2.304 178.564 176.300 -0.067 0.000 0.987 311 D CA 1.190 55.154 54.000 -0.059 0.000 0.829 311 D CB -0.161 40.611 40.800 -0.047 0.000 0.961 311 D HN 0.442 nan 8.370 nan 0.000 0.460 312 Q N 0.093 119.851 119.800 -0.069 0.000 2.187 312 Q HA -0.022 4.318 4.340 -0.000 0.000 0.199 312 Q C 2.349 178.297 176.000 -0.085 0.000 0.957 312 Q CA 0.371 56.131 55.803 -0.072 0.000 0.857 312 Q CB 0.321 29.017 28.738 -0.070 0.000 0.929 312 Q HN 0.117 nan 8.270 nan 0.000 0.453 313 V N 1.201 121.053 119.914 -0.103 0.000 2.307 313 V HA -0.262 3.857 4.120 -0.000 0.000 0.245 313 V C 2.210 178.222 176.094 -0.138 0.000 1.045 313 V CA 2.040 64.272 62.300 -0.113 0.000 1.024 313 V CB -0.484 31.279 31.823 -0.101 0.000 0.651 313 V HN 0.424 nan 8.190 nan 0.000 0.449 314 E N 0.018 120.121 120.200 -0.161 0.000 2.049 314 E HA -0.318 4.032 4.350 -0.000 0.000 0.198 314 E C 2.231 178.766 176.600 -0.108 0.000 1.007 314 E CA 2.008 58.303 56.400 -0.175 0.000 0.809 314 E CB -0.144 29.468 29.700 -0.147 0.000 0.749 314 E HN 0.702 nan 8.360 nan 0.000 0.450 315 Q N 0.190 119.943 119.800 -0.079 0.000 2.050 315 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 315 Q C 2.247 178.224 176.000 -0.038 0.000 0.980 315 Q CA 1.699 57.471 55.803 -0.052 0.000 0.840 315 Q CB -0.215 28.496 28.738 -0.044 0.000 0.898 315 Q HN 0.031 nan 8.270 nan 0.000 0.424 316 K N 1.344 121.720 120.400 -0.039 0.000 2.020 316 K HA -0.156 4.164 4.320 -0.000 0.000 0.212 316 K C 1.634 178.239 176.600 0.008 0.000 1.050 316 K CA 1.554 57.830 56.287 -0.018 0.000 0.929 316 K CB -0.300 32.185 32.500 -0.026 0.000 0.714 316 K HN 0.182 nan 8.250 nan 0.000 0.443 317 L N -0.482 120.745 121.223 0.007 0.000 2.558 317 L HA 0.260 4.600 4.340 -0.000 0.000 0.225 317 L C 0.505 177.404 176.870 0.048 0.000 1.128 317 L CA 0.257 55.137 54.840 0.067 0.000 0.868 317 L CB -0.274 41.839 42.059 0.090 0.000 1.006 317 L HN 0.379 nan 8.230 nan 0.000 0.454 318 A N 0.833 123.651 122.820 -0.004 0.000 2.800 318 A HA -0.189 4.131 4.320 -0.000 0.000 0.292 318 A C 0.229 177.796 177.584 -0.028 0.000 1.474 318 A CA 0.254 52.282 52.037 -0.014 0.000 0.744 318 A CB -2.378 16.624 19.000 0.003 0.000 1.044 318 A HN 0.302 nan 8.150 nan 0.000 0.489 319 L N -0.166 121.006 121.223 -0.086 0.000 2.426 319 L HA 0.211 4.551 4.340 -0.000 0.000 0.271 319 L C 1.131 177.947 176.870 -0.092 0.000 1.169 319 L CA -0.137 54.625 54.840 -0.130 0.000 0.836 319 L CB 0.526 42.387 42.059 -0.331 0.000 1.112 319 L HN 0.446 nan 8.230 nan 0.000 0.465 320 K N 3.313 123.678 120.400 -0.058 0.000 2.414 320 K HA 0.043 4.363 4.320 -0.000 0.000 0.272 320 K C -1.602 174.966 176.600 -0.053 0.000 0.993 320 K CA -1.100 55.164 56.287 -0.037 0.000 0.964 320 K CB 0.320 32.816 32.500 -0.008 0.000 0.925 320 K HN 0.284 nan 8.250 nan 0.000 0.487 321 P HA -0.203 nan 4.420 nan 0.000 0.217 321 P C 0.145 177.429 177.300 -0.027 0.000 1.148 321 P CA 1.306 64.382 63.100 -0.039 0.000 0.828 321 P CB 0.265 31.951 31.700 -0.023 0.000 0.783 322 E N -0.836 119.359 120.200 -0.008 0.000 2.268 322 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 322 E C 1.790 178.408 176.600 0.030 0.000 0.995 322 E CA 0.809 57.219 56.400 0.017 0.000 0.836 322 E CB -0.523 29.196 29.700 0.031 0.000 0.763 322 E HN 0.149 nan 8.360 nan 0.000 0.491 323 K N 0.094 120.492 120.400 -0.003 0.000 2.063 323 K HA -0.027 4.293 4.320 -0.000 0.000 0.208 323 K C 1.462 178.090 176.600 0.046 0.000 1.048 323 K CA 1.010 57.304 56.287 0.011 0.000 0.928 323 K CB -0.142 32.249 32.500 -0.182 0.000 0.713 323 K HN 0.245 nan 8.250 nan 0.000 0.442 324 M N 1.279 120.869 119.600 -0.017 0.000 2.568 324 M HA 0.020 4.500 4.480 -0.000 0.000 0.226 324 M C 0.698 177.037 176.300 0.065 0.000 1.148 324 M CA 0.299 55.621 55.300 0.038 0.000 1.007 324 M CB -0.787 31.802 32.600 -0.019 0.000 1.651 324 M HN 0.003 nan 8.290 nan 0.000 0.488 325 N N 1.883 120.623 118.700 0.067 0.000 2.069 325 N HA -0.111 4.629 4.740 -0.000 0.000 0.191 325 N C 1.803 177.366 175.510 0.089 0.000 1.031 325 N CA 1.850 54.940 53.050 0.066 0.000 0.852 325 N CB -0.169 38.357 38.487 0.064 0.000 1.018 325 N HN 0.413 nan 8.380 nan 0.000 0.423 326 A N -0.085 122.807 122.820 0.121 0.000 1.898 326 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 326 A C 2.361 180.026 177.584 0.136 0.000 1.181 326 A CA 1.980 54.097 52.037 0.134 0.000 0.620 326 A CB -1.115 17.979 19.000 0.157 0.000 0.819 326 A HN 0.307 nan 8.150 nan 0.000 0.442 327 T N -0.311 114.328 114.554 0.141 0.000 2.652 327 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 327 T C 2.089 176.841 174.700 0.085 0.000 1.039 327 T CA 1.698 63.875 62.100 0.128 0.000 1.153 327 T CB -0.244 68.715 68.868 0.153 0.000 0.863 327 T HN 0.494 nan 8.240 nan 0.000 0.428 328 R N 0.460 121.000 120.500 0.067 0.000 2.092 328 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 328 R C 2.560 178.883 176.300 0.038 0.000 1.119 328 R CA 1.194 57.316 56.100 0.037 0.000 0.970 328 R CB -0.185 30.128 30.300 0.023 0.000 0.864 328 R HN 0.302 nan 8.270 nan 0.000 0.440 329 E N 0.652 120.889 120.200 0.061 0.000 2.077 329 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 329 E C 1.778 178.438 176.600 0.100 0.000 0.989 329 E CA 1.166 57.606 56.400 0.066 0.000 0.800 329 E CB -0.075 29.677 29.700 0.088 0.000 0.746 329 E HN 0.029 nan 8.360 nan 0.000 0.452 330 V N 0.624 120.628 119.914 0.150 0.000 2.358 330 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 330 V C 2.402 178.588 176.094 0.153 0.000 1.047 330 V CA 1.540 63.986 62.300 0.244 0.000 1.035 330 V CB -0.550 31.409 31.823 0.226 0.000 0.658 330 V HN 0.324 nan 8.190 nan 0.000 0.452 331 L N -0.018 121.238 121.223 0.056 0.000 2.083 331 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 331 L C 2.568 179.420 176.870 -0.029 0.000 1.083 331 L CA 2.363 57.198 54.840 -0.009 0.000 0.752 331 L CB -0.768 41.267 42.059 -0.040 0.000 0.899 331 L HN 0.308 nan 8.230 nan 0.000 0.433 332 S N -0.885 114.800 115.700 -0.026 0.000 2.356 332 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 332 S C 1.831 176.363 174.600 -0.114 0.000 1.032 332 S CA 1.402 59.566 58.200 -0.061 0.000 1.005 332 S CB -0.264 62.910 63.200 -0.043 0.000 0.867 332 S HN 0.576 nan 8.310 nan 0.000 0.449 333 E N -0.707 119.397 120.200 -0.161 0.000 2.371 333 E HA 0.072 4.421 4.350 -0.000 0.000 0.194 333 E C 0.334 176.606 176.600 -0.547 0.000 1.012 333 E CA 0.625 56.787 56.400 -0.397 0.000 0.860 333 E CB 0.120 29.480 29.700 -0.565 0.000 0.811 333 E HN 0.779 nan 8.360 nan 0.000 0.502 334 Y N -1.413 118.894 120.300 0.011 0.000 2.648 334 Y HA 0.337 4.887 4.550 -0.000 0.000 0.270 334 Y C 1.088 176.936 175.900 -0.087 0.000 1.043 334 Y CA 0.011 58.109 58.100 -0.004 0.000 1.238 334 Y CB 0.675 39.046 38.460 -0.148 0.000 1.385 334 Y HN 0.014 nan 8.280 nan 0.000 0.569 335 G N 1.861 110.664 108.800 0.006 0.000 2.796 335 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.226 335 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.226 335 G C -0.520 174.332 174.900 -0.080 0.000 1.381 335 G CA -0.337 44.722 45.100 -0.068 0.000 0.867 335 G HN 0.309 nan 8.290 nan 0.000 0.552 336 N N 0.558 119.168 118.700 -0.149 0.000 2.402 336 N HA 0.289 5.029 4.740 -0.000 0.000 0.259 336 N C 1.206 176.748 175.510 0.053 0.000 1.167 336 N CA 0.001 52.968 53.050 -0.139 0.000 0.949 336 N CB -0.210 38.035 38.487 -0.403 0.000 1.212 336 N HN 0.475 nan 8.380 nan 0.000 0.493 337 M N 2.272 121.902 119.600 0.050 0.000 2.719 337 M HA 0.066 4.546 4.480 -0.000 0.000 0.247 337 M C 1.107 177.505 176.300 0.164 0.000 1.287 337 M CA -0.267 55.078 55.300 0.076 0.000 1.004 337 M CB -0.489 32.040 32.600 -0.119 0.000 1.514 337 M HN 0.610 nan 8.290 nan 0.000 0.462 338 S N 1.163 117.056 115.700 0.322 0.000 4.054 338 S HA -0.324 4.146 4.470 -0.000 0.000 0.618 338 S C 1.587 176.236 174.600 0.081 0.000 2.026 338 S CA 2.243 60.571 58.200 0.213 0.000 4.205 338 S CB -1.342 61.896 63.200 0.064 0.000 0.233 338 S HN 0.767 nan 8.310 nan 0.000 0.612 339 S N 1.803 117.478 115.700 -0.042 0.000 2.400 339 S HA -0.008 4.462 4.470 -0.000 0.000 0.232 339 S C 2.069 176.695 174.600 0.043 0.000 1.025 339 S CA 2.208 60.376 58.200 -0.053 0.000 0.993 339 S CB -1.183 61.958 63.200 -0.099 0.000 0.808 339 S HN 1.657 nan 8.310 nan 0.000 0.478 340 A N 0.470 123.341 122.820 0.086 0.000 2.015 340 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 340 A C 2.493 180.219 177.584 0.236 0.000 1.163 340 A CA 1.071 53.208 52.037 0.166 0.000 0.646 340 A CB -1.557 17.566 19.000 0.204 0.000 0.806 340 A HN 0.676 nan 8.150 nan 0.000 0.448 341 C N -1.415 117.985 119.300 0.167 0.000 2.376 341 C HA -0.154 4.306 4.460 -0.000 0.000 0.275 341 C C 2.690 177.797 174.990 0.194 0.000 1.200 341 C CA 1.581 60.678 59.018 0.131 0.000 1.756 341 C CB -1.204 26.632 27.740 0.160 0.000 2.050 341 C HN 0.460 nan 8.230 nan 0.000 0.460 342 V N 0.705 120.742 119.914 0.206 0.000 2.594 342 V HA -0.184 3.936 4.120 -0.000 0.000 0.253 342 V C 2.127 178.290 176.094 0.115 0.000 1.069 342 V CA 1.908 64.295 62.300 0.145 0.000 1.082 342 V CB -0.391 31.515 31.823 0.139 0.000 0.680 342 V HN 0.570 nan 8.190 nan 0.000 0.469 343 L N -2.176 119.125 121.223 0.130 0.000 2.109 343 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 343 L C 2.323 179.242 176.870 0.081 0.000 1.086 343 L CA 1.308 56.193 54.840 0.074 0.000 0.760 343 L CB -0.613 41.468 42.059 0.036 0.000 0.910 343 L HN 0.260 nan 8.230 nan 0.000 0.437 344 F N 0.511 120.440 119.950 -0.034 0.000 2.186 344 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 344 F C 2.336 178.141 175.800 0.010 0.000 1.090 344 F CA 1.251 59.214 58.000 -0.062 0.000 1.307 344 F CB -0.344 38.562 39.000 -0.157 0.000 1.019 344 F HN -0.079 nan 8.300 nan 0.000 0.489 345 I N -0.595 120.109 120.570 0.223 0.000 2.252 345 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 345 I C 2.268 178.463 176.117 0.130 0.000 1.102 345 I CA 1.124 62.525 61.300 0.169 0.000 1.385 345 I CB -0.580 37.511 38.000 0.153 0.000 1.064 345 I HN 0.086 nan 8.210 nan 0.000 0.414 346 L N 0.314 121.585 121.223 0.080 0.000 2.079 346 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 346 L C 2.248 179.229 176.870 0.184 0.000 1.081 346 L CA 1.418 56.296 54.840 0.063 0.000 0.752 346 L CB -0.605 41.442 42.059 -0.021 0.000 0.896 346 L HN 0.283 nan 8.230 nan 0.000 0.433 347 D N -0.050 120.412 120.400 0.103 0.000 2.084 347 D HA -0.247 4.393 4.640 -0.000 0.000 0.194 347 D C 2.012 178.364 176.300 0.087 0.000 0.990 347 D CA 1.377 55.415 54.000 0.063 0.000 0.826 347 D CB 0.125 40.894 40.800 -0.051 0.000 0.971 347 D HN 0.230 nan 8.370 nan 0.000 0.453 348 E N 0.032 120.299 120.200 0.112 0.000 2.049 348 E HA -0.232 4.118 4.350 -0.000 0.000 0.198 348 E C 2.216 178.884 176.600 0.113 0.000 1.007 348 E CA 1.415 57.890 56.400 0.125 0.000 0.809 348 E CB -0.516 29.285 29.700 0.167 0.000 0.749 348 E HN 0.397 nan 8.360 nan 0.000 0.450 349 M N 0.159 119.841 119.600 0.137 0.000 2.067 349 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 349 M C 2.288 178.650 176.300 0.103 0.000 1.069 349 M CA 2.447 57.827 55.300 0.134 0.000 1.117 349 M CB -0.219 32.489 32.600 0.180 0.000 1.334 349 M HN 0.159 nan 8.290 nan 0.000 0.407 350 R N 0.187 120.770 120.500 0.138 0.000 2.096 350 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 350 R C 1.791 178.076 176.300 -0.024 0.000 1.127 350 R CA 1.763 57.860 56.100 -0.006 0.000 0.968 350 R CB -0.832 29.415 30.300 -0.089 0.000 0.861 350 R HN 0.347 nan 8.270 nan 0.000 0.440 351 K N 0.545 120.954 120.400 0.015 0.000 2.025 351 K HA 0.008 4.328 4.320 -0.000 0.000 0.207 351 K C 2.026 178.631 176.600 0.009 0.000 1.049 351 K CA 1.371 57.661 56.287 0.006 0.000 0.933 351 K CB -0.012 32.502 32.500 0.024 0.000 0.714 351 K HN 0.109 nan 8.250 nan 0.000 0.438 352 K N 0.506 120.922 120.400 0.026 0.000 2.026 352 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 352 K C 2.252 178.856 176.600 0.006 0.000 1.048 352 K CA 1.350 57.652 56.287 0.025 0.000 0.929 352 K CB -0.208 32.318 32.500 0.043 0.000 0.713 352 K HN 0.018 nan 8.250 nan 0.000 0.439 353 S N 0.672 116.367 115.700 -0.007 0.000 2.382 353 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 353 S C 2.167 176.740 174.600 -0.045 0.000 1.027 353 S CA 2.028 60.208 58.200 -0.033 0.000 0.991 353 S CB -0.401 62.758 63.200 -0.069 0.000 0.823 353 S HN 0.573 nan 8.310 nan 0.000 0.469 354 T N 0.694 115.217 114.554 -0.051 0.000 2.732 354 T HA -0.125 4.225 4.350 -0.000 0.000 0.261 354 T C 1.883 176.565 174.700 -0.030 0.000 1.040 354 T CA 1.268 63.337 62.100 -0.051 0.000 1.145 354 T CB -0.647 68.186 68.868 -0.058 0.000 0.866 354 T HN 0.444 nan 8.240 nan 0.000 0.427 355 Q N 1.880 121.669 119.800 -0.019 0.000 2.045 355 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 355 Q C 1.720 177.715 176.000 -0.008 0.000 0.991 355 Q CA 1.978 57.776 55.803 -0.009 0.000 0.851 355 Q CB -0.519 28.220 28.738 0.001 0.000 0.911 355 Q HN 0.709 nan 8.270 nan 0.000 0.418 356 N N -0.632 118.064 118.700 -0.006 0.000 2.434 356 N HA 0.076 4.816 4.740 -0.000 0.000 0.196 356 N C 0.170 175.674 175.510 -0.009 0.000 1.183 356 N CA 0.193 53.241 53.050 -0.003 0.000 0.849 356 N CB 0.189 38.678 38.487 0.003 0.000 0.992 356 N HN 0.504 nan 8.380 nan 0.000 0.460 357 G N 1.277 110.068 108.800 -0.016 0.000 2.249 357 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.273 357 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.273 357 G C 0.132 175.020 174.900 -0.021 0.000 1.036 357 G CA 0.092 45.181 45.100 -0.019 0.000 0.824 357 G HN 0.215 nan 8.290 nan 0.000 0.504 358 L N -1.422 119.785 121.223 -0.026 0.000 2.479 358 L HA 0.338 4.678 4.340 -0.000 0.000 0.248 358 L C 1.937 178.784 176.870 -0.039 0.000 1.205 358 L CA -0.319 54.505 54.840 -0.027 0.000 0.817 358 L CB 0.293 42.337 42.059 -0.026 0.000 1.162 358 L HN 0.066 nan 8.230 nan 0.000 0.486 359 K N -0.592 119.785 120.400 -0.037 0.000 2.305 359 K HA 0.026 4.346 4.320 -0.000 0.000 0.199 359 K C 0.400 176.957 176.600 -0.071 0.000 1.047 359 K CA 0.639 56.899 56.287 -0.045 0.000 0.976 359 K CB 0.136 32.618 32.500 -0.030 0.000 0.765 359 K HN 0.810 nan 8.250 nan 0.000 0.474 360 T N -3.117 111.382 114.554 -0.090 0.000 2.883 360 T HA 0.115 4.465 4.350 -0.000 0.000 0.296 360 T C 1.061 175.641 174.700 -0.199 0.000 1.117 360 T CA -0.675 61.340 62.100 -0.142 0.000 1.006 360 T CB 1.669 70.458 68.868 -0.131 0.000 1.191 360 T HN 0.043 nan 8.240 nan 0.000 0.508 361 T N -2.111 112.258 114.554 -0.308 0.000 3.072 361 T HA 0.171 4.521 4.350 -0.000 0.000 0.266 361 T C 1.456 175.914 174.700 -0.403 0.000 1.127 361 T CA 0.703 62.556 62.100 -0.411 0.000 1.107 361 T CB -0.651 67.770 68.868 -0.745 0.000 0.910 361 T HN 1.014 nan 8.240 nan 0.000 0.513 362 G N 1.081 109.574 108.800 -0.511 0.000 3.943 362 G HA2 0.429 4.389 3.960 -0.000 0.000 0.275 362 G HA3 0.429 4.389 3.960 -0.000 0.000 0.275 362 G C -0.132 174.539 174.900 -0.383 0.000 1.234 362 G CA -0.690 43.824 45.100 -0.976 0.000 1.522 362 G HN 0.538 nan 8.290 nan 0.000 0.636 363 E N -1.077 119.031 120.200 -0.154 0.000 2.791 363 E HA -0.267 4.083 4.350 -0.000 0.000 0.271 363 E C 1.470 178.076 176.600 0.010 0.000 1.044 363 E CA 0.545 56.937 56.400 -0.014 0.000 0.814 363 E CB -1.467 28.282 29.700 0.082 0.000 1.400 363 E HN 1.311 nan 8.360 nan 0.000 0.423 364 G N -0.644 108.139 108.800 -0.029 0.000 2.176 364 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.253 364 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.253 364 G C 0.210 175.133 174.900 0.038 0.000 0.979 364 G CA 0.506 45.605 45.100 -0.003 0.000 0.641 364 G HN 0.248 nan 8.290 nan 0.000 0.530 365 L N -0.306 120.969 121.223 0.086 0.000 2.334 365 L HA 0.589 4.929 4.340 -0.000 0.000 0.272 365 L C 1.485 178.473 176.870 0.196 0.000 1.020 365 L CA -0.612 54.339 54.840 0.185 0.000 0.812 365 L CB 1.504 43.756 42.059 0.322 0.000 1.264 365 L HN 0.211 nan 8.230 nan 0.000 0.439 366 E N 1.465 121.750 120.200 0.143 0.000 2.016 366 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 366 E C -0.478 176.126 176.600 0.008 0.000 0.985 366 E CA 1.033 57.404 56.400 -0.048 0.000 0.802 366 E CB 0.180 29.754 29.700 -0.210 0.000 0.762 366 E HN 0.486 nan 8.360 nan 0.000 0.448 367 W N -0.526 120.936 121.300 0.270 0.000 2.551 367 W HA 0.604 5.264 4.660 -0.000 0.000 0.330 367 W C 0.177 176.475 176.519 -0.367 0.000 1.063 367 W CA -0.473 56.936 57.345 0.106 0.000 1.222 367 W CB 1.872 31.413 29.460 0.135 0.000 1.349 367 W HN 0.113 nan 8.180 nan 0.000 0.536 368 G N 0.283 108.730 108.800 -0.588 0.000 2.695 368 G HA2 0.608 4.568 3.960 -0.000 0.000 0.290 368 G HA3 0.608 4.568 3.960 -0.000 0.000 0.290 368 G C -2.244 172.304 174.900 -0.585 0.000 1.410 368 G CA -0.812 43.389 45.100 -1.497 0.000 0.844 368 G HN 0.472 nan 8.290 nan 0.000 0.478 369 V N 0.205 119.716 119.914 -0.673 0.000 2.789 369 V HA 0.830 4.950 4.120 -0.000 0.000 0.311 369 V C -1.189 174.539 176.094 -0.610 0.000 1.073 369 V CA -0.886 61.064 62.300 -0.583 0.000 0.921 369 V CB 1.664 33.044 31.823 -0.738 0.000 1.009 369 V HN 0.858 nan 8.190 nan 0.000 0.426 370 L N 6.002 126.888 121.223 -0.562 0.000 2.365 370 L HA 0.757 5.097 4.340 -0.000 0.000 0.273 370 L C -1.844 174.726 176.870 -0.500 0.000 1.000 370 L CA -0.292 54.326 54.840 -0.369 0.000 0.819 370 L CB 1.797 43.722 42.059 -0.223 0.000 1.284 370 L HN 0.634 nan 8.230 nan 0.000 0.418 371 F N 2.465 122.315 119.950 -0.165 0.000 2.529 371 F HA 0.727 5.254 4.527 -0.000 0.000 0.320 371 F C 0.569 176.066 175.800 -0.506 0.000 1.118 371 F CA -0.731 57.079 58.000 -0.317 0.000 0.915 371 F CB 2.290 41.082 39.000 -0.345 0.000 1.161 371 F HN 0.452 nan 8.300 nan 0.000 0.445 372 G N 2.397 111.052 108.800 -0.241 0.000 2.416 372 G HA2 0.678 4.638 3.960 -0.000 0.000 0.329 372 G HA3 0.678 4.638 3.960 -0.000 0.000 0.329 372 G C -1.898 172.844 174.900 -0.263 0.000 1.173 372 G CA -0.427 44.548 45.100 -0.209 0.000 0.929 372 G HN 0.291 nan 8.290 nan 0.000 0.475 373 F N 0.493 120.592 119.950 0.249 0.000 2.556 373 F HA 0.846 5.373 4.527 -0.000 0.000 0.314 373 F C 0.618 176.592 175.800 0.291 0.000 1.106 373 F CA -0.656 57.488 58.000 0.241 0.000 0.911 373 F CB 2.515 41.650 39.000 0.225 0.000 1.190 373 F HN 0.874 nan 8.300 nan 0.000 0.448 374 G N 1.187 110.322 108.800 0.559 0.000 2.494 374 G HA2 0.541 4.501 3.960 -0.000 0.000 0.308 374 G HA3 0.541 4.501 3.960 -0.000 0.000 0.308 374 G C -3.410 171.811 174.900 0.536 0.000 1.263 374 G CA -1.224 44.222 45.100 0.577 0.000 0.840 374 G HN 0.243 nan 8.290 nan 0.000 0.479 375 P HA 0.334 nan 4.420 nan 0.000 0.264 375 P C 0.809 178.307 177.300 0.330 0.000 1.183 375 P CA 1.808 65.157 63.100 0.416 0.000 0.763 375 P CB 1.073 33.016 31.700 0.405 0.000 0.807 376 G N 2.408 111.331 108.800 0.205 0.000 4.077 376 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.199 376 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.199 376 G C -0.304 174.648 174.900 0.088 0.000 1.302 376 G CA -0.475 44.695 45.100 0.117 0.000 0.918 376 G HN 0.581 nan 8.290 nan 0.000 0.369 377 L N 3.306 124.579 121.223 0.083 0.000 2.534 377 L HA 0.541 4.881 4.340 -0.000 0.000 0.271 377 L C -0.066 176.841 176.870 0.062 0.000 1.178 377 L CA 0.553 55.455 54.840 0.105 0.000 0.907 377 L CB 0.818 42.931 42.059 0.091 0.000 1.164 377 L HN 0.244 nan 8.230 nan 0.000 0.482 378 T N 6.526 121.107 114.554 0.044 0.000 2.829 378 T HA 0.546 4.896 4.350 -0.000 0.000 0.282 378 T C -0.172 174.516 174.700 -0.020 0.000 0.990 378 T CA -0.237 61.784 62.100 -0.133 0.000 1.028 378 T CB 1.006 69.514 68.868 -0.600 0.000 0.951 378 T HN 0.381 nan 8.240 nan 0.000 0.460 379 I N 2.962 123.525 120.570 -0.011 0.000 2.382 379 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 379 I C 0.167 176.296 176.117 0.020 0.000 1.002 379 I CA -0.771 60.606 61.300 0.128 0.000 1.135 379 I CB 1.459 39.585 38.000 0.211 0.000 1.288 379 I HN 0.397 nan 8.210 nan 0.000 0.448 380 E N 4.890 125.093 120.200 0.005 0.000 2.197 380 E HA 0.417 4.767 4.350 -0.000 0.000 0.281 380 E C -0.746 175.890 176.600 0.060 0.000 0.995 380 E CA -0.290 56.096 56.400 -0.024 0.000 0.808 380 E CB 2.166 31.850 29.700 -0.027 0.000 1.093 380 E HN 0.435 nan 8.360 nan 0.000 0.394 381 T N 1.577 116.131 114.554 -0.000 0.000 2.824 381 T HA 0.449 4.799 4.350 -0.000 0.000 0.282 381 T C -0.390 174.215 174.700 -0.158 0.000 0.993 381 T CA -0.588 61.468 62.100 -0.073 0.000 0.967 381 T CB 1.455 70.379 68.868 0.094 0.000 0.960 381 T HN 0.094 nan 8.240 nan 0.000 0.441 382 V N 3.309 123.081 119.914 -0.237 0.000 2.531 382 V HA 0.414 4.534 4.120 -0.000 0.000 0.301 382 V C -0.192 175.794 176.094 -0.180 0.000 1.034 382 V CA -0.880 61.319 62.300 -0.168 0.000 0.865 382 V CB 1.983 33.713 31.823 -0.155 0.000 0.995 382 V HN 0.733 nan 8.190 nan 0.000 0.424 383 V N 6.588 126.458 119.914 -0.072 0.000 2.432 383 V HA 0.466 4.586 4.120 -0.000 0.000 0.275 383 V C -0.072 176.039 176.094 0.028 0.000 1.043 383 V CA -0.185 62.057 62.300 -0.098 0.000 0.925 383 V CB 1.299 33.003 31.823 -0.198 0.000 0.985 383 V HN 0.619 nan 8.190 nan 0.000 0.466 384 L N 5.285 126.538 121.223 0.050 0.000 2.354 384 L HA 0.690 5.029 4.340 -0.000 0.000 0.269 384 L C -0.146 176.890 176.870 0.277 0.000 1.005 384 L CA -0.683 54.244 54.840 0.145 0.000 0.819 384 L CB 2.260 44.377 42.059 0.098 0.000 1.311 384 L HN 0.553 nan 8.230 nan 0.000 0.423 385 R N 0.927 121.572 120.500 0.241 0.000 2.562 385 R HA 0.512 4.852 4.340 -0.000 0.000 0.298 385 R C -0.097 176.352 176.300 0.250 0.000 0.961 385 R CA -0.398 55.719 56.100 0.029 0.000 0.881 385 R CB 1.891 31.936 30.300 -0.426 0.000 1.159 385 R HN 0.837 nan 8.270 nan 0.000 0.450 386 S N 1.687 117.546 115.700 0.265 0.000 2.634 386 S HA 0.298 4.768 4.470 -0.000 0.000 0.254 386 S C 0.015 174.543 174.600 -0.120 0.000 1.299 386 S CA -0.678 57.548 58.200 0.043 0.000 0.974 386 S CB 1.069 64.195 63.200 -0.123 0.000 1.001 386 S HN 0.290 nan 8.310 nan 0.000 0.584 387 V N 0.558 120.329 119.914 -0.239 0.000 2.769 387 V HA 0.698 4.818 4.120 -0.000 0.000 0.312 387 V C 0.436 176.428 176.094 -0.170 0.000 1.061 387 V CA -0.754 61.433 62.300 -0.189 0.000 0.931 387 V CB 1.482 33.181 31.823 -0.206 0.000 1.010 387 V HN 1.205 nan 8.190 nan 0.000 0.433 388 A N 5.074 127.821 122.820 -0.122 0.000 2.492 388 A HA 0.605 4.925 4.320 -0.000 0.000 0.254 388 A C 0.008 177.531 177.584 -0.101 0.000 1.091 388 A CA 0.228 52.205 52.037 -0.100 0.000 0.768 388 A CB -0.513 18.444 19.000 -0.072 0.000 1.028 388 A HN 0.931 nan 8.150 nan 0.000 0.498 389 I N 0.000 120.511 120.570 -0.098 0.000 2.984 389 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 389 I CA 0.000 61.247 61.300 -0.089 0.000 1.566 389 I CB 0.000 37.960 38.000 -0.066 0.000 1.214 389 I HN 0.000 nan 8.210 nan 0.000 0.494