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 1yp2_1_D DATA FIRST_RESID 11 DATA SEQUENCE TCLDPDASRS VLGIILXXXX XTRLYPLTKK RAKPAVPLGA NYRLIDIPVS DATA SEQUENCE NCLNSNISKI YVLTQFNSAS LNRHLSRAYX XXXXXXXNEG FVEVLAAQQS DATA SEQUENCE PXXXXXFQGT ADAVRQYLWL FEEHTVLEYL ILAGDHLYRM DYEKFIQAHR DATA SEQUENCE ETDADITVAA LPMDEKRATA FGLMKIDEEG RIIEFAEKPQ GEQLQAMKVD DATA SEQUENCE TTILGLDDKR AKEMPFIASM GIYVISKDVM LNLLRDKFPG ANDFGSEVIP DATA SEQUENCE GATSLGMRVQ AYLYDGYWED IGTIEAFYNA NLGITKKPVP DFSFYDRSAP DATA SEQUENCE IYTQPRYLPP SKMLDADVTD SVIGEGCVIK NCKIHHSVVG LRSCISEGAI DATA SEQUENCE IEDSLLMGAD YYETDADRKL LAAKGSVPIG IGKNCHIKRA IIDKNARIGD DATA SEQUENCE NVKIINKDNV QEAARETDGY FIKSGIVTVI KDALIPSGII I 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.710 174.700 0.017 0.000 1.109 11 T CA 0.000 62.109 62.100 0.016 0.000 1.349 11 T CB 0.000 68.880 68.868 0.020 0.000 0.612 12 C N 3.688 122.995 119.300 0.012 0.000 2.365 12 C HA 0.667 5.127 4.460 0.000 0.000 0.351 12 C C 1.066 176.062 174.990 0.009 0.000 1.240 12 C CA -0.969 58.055 59.018 0.011 0.000 2.062 12 C CB 0.213 27.958 27.740 0.008 0.000 2.387 12 C HN 0.936 nan 8.230 nan 0.000 0.537 13 L N 2.407 123.634 121.223 0.007 0.000 2.483 13 L HA 0.217 4.557 4.340 0.000 0.000 0.275 13 L C -0.040 176.829 176.870 -0.001 0.000 1.220 13 L CA 0.929 55.770 54.840 0.002 0.000 0.833 13 L CB 0.358 42.414 42.059 -0.004 0.000 1.102 13 L HN 0.742 nan 8.230 nan 0.000 0.490 14 D N 2.425 122.823 120.400 -0.004 0.000 2.548 14 D HA 0.272 4.913 4.640 0.000 0.000 0.214 14 D C -2.351 173.946 176.300 -0.006 0.000 1.345 14 D CA -0.878 53.120 54.000 -0.004 0.000 0.945 14 D CB 1.147 41.947 40.800 -0.001 0.000 1.499 14 D HN 0.147 nan 8.370 nan 0.000 0.579 15 P HA 0.153 nan 4.420 nan 0.000 0.267 15 P C -0.259 177.035 177.300 -0.011 0.000 1.201 15 P CA -0.089 63.007 63.100 -0.007 0.000 0.775 15 P CB 0.536 32.231 31.700 -0.008 0.000 0.854 16 D N -0.049 120.346 120.400 -0.009 0.000 2.363 16 D HA 0.216 4.856 4.640 0.000 0.000 0.240 16 D C 1.280 177.568 176.300 -0.020 0.000 1.236 16 D CA -0.214 53.780 54.000 -0.011 0.000 0.927 16 D CB 0.159 40.955 40.800 -0.007 0.000 1.150 16 D HN 0.329 nan 8.370 nan 0.000 0.458 17 A N 0.810 123.618 122.820 -0.021 0.000 1.877 17 A HA -0.187 4.134 4.320 0.000 0.000 0.216 17 A C 2.171 179.725 177.584 -0.049 0.000 1.186 17 A CA 2.443 54.460 52.037 -0.034 0.000 0.620 17 A CB -1.470 17.518 19.000 -0.019 0.000 0.822 17 A HN 0.710 nan 8.150 nan 0.000 0.443 18 S N 0.966 116.640 115.700 -0.043 0.000 2.387 18 S HA -0.276 4.194 4.470 0.000 0.000 0.230 18 S C 1.896 176.463 174.600 -0.054 0.000 1.035 18 S CA 1.581 59.746 58.200 -0.059 0.000 1.014 18 S CB -0.523 62.651 63.200 -0.043 0.000 0.836 18 S HN 0.820 nan 8.310 nan 0.000 0.466 19 R N 1.053 121.535 120.500 -0.030 0.000 2.265 19 R HA 0.256 4.596 4.340 0.000 0.000 0.194 19 R C 1.806 178.101 176.300 -0.009 0.000 0.931 19 R CA 0.889 56.982 56.100 -0.010 0.000 1.032 19 R CB -0.347 29.955 30.300 0.004 0.000 0.980 19 R HN 0.559 nan 8.270 nan 0.000 0.497 20 S N -0.416 115.267 115.700 -0.029 0.000 2.540 20 S HA 0.252 4.722 4.470 0.000 0.000 0.222 20 S C 0.339 174.897 174.600 -0.070 0.000 1.008 20 S CA -0.551 57.626 58.200 -0.038 0.000 0.939 20 S CB 0.750 63.927 63.200 -0.038 0.000 0.865 20 S HN 0.019 nan 8.310 nan 0.000 0.499 21 V N 2.313 122.177 119.914 -0.083 0.000 2.540 21 V HA 0.521 4.641 4.120 0.000 0.000 0.302 21 V C -0.718 175.303 176.094 -0.120 0.000 1.035 21 V CA -0.778 61.454 62.300 -0.113 0.000 0.873 21 V CB 1.844 33.592 31.823 -0.124 0.000 0.992 21 V HN 0.503 nan 8.190 nan 0.000 0.428 22 L N 4.012 125.182 121.223 -0.089 0.000 2.298 22 L HA 0.784 5.124 4.340 0.000 0.000 0.284 22 L C 0.663 177.445 176.870 -0.147 0.000 1.013 22 L CA -0.267 54.505 54.840 -0.112 0.000 0.824 22 L CB 1.068 43.144 42.059 0.028 0.000 1.221 22 L HN 0.816 nan 8.230 nan 0.000 0.418 23 G N 6.067 114.734 108.800 -0.222 0.000 2.370 23 G HA2 0.508 4.469 3.960 0.000 0.000 0.272 23 G HA3 0.508 4.469 3.960 0.000 0.000 0.272 23 G C -0.603 174.176 174.900 -0.202 0.000 1.208 23 G CA -0.382 44.587 45.100 -0.219 0.000 0.856 23 G HN 0.593 nan 8.290 nan 0.000 0.500 24 I N 2.900 123.334 120.570 -0.227 0.000 2.439 24 I HA 0.275 4.445 4.170 0.000 0.000 0.283 24 I C -0.486 175.542 176.117 -0.148 0.000 1.023 24 I CA -0.491 60.675 61.300 -0.224 0.000 1.100 24 I CB 1.872 39.587 38.000 -0.474 0.000 1.238 24 I HN 0.233 nan 8.210 nan 0.000 0.445 25 I N 6.864 127.396 120.570 -0.062 0.000 2.315 25 I HA 0.331 4.501 4.170 0.000 0.000 0.291 25 I C -0.334 175.787 176.117 0.007 0.000 1.006 25 I CA -0.423 60.861 61.300 -0.027 0.000 1.265 25 I CB 1.154 39.156 38.000 0.004 0.000 1.387 25 I HN 0.348 nan 8.210 nan 0.000 0.475 33 R N 0.422 120.927 120.500 0.010 0.000 2.299 33 R HA 0.393 4.733 4.340 0.000 0.000 0.197 33 R C 1.257 177.554 176.300 -0.004 0.000 0.971 33 R CA 0.492 56.600 56.100 0.013 0.000 1.030 33 R CB -0.045 30.256 30.300 0.002 0.000 0.932 33 R HN 0.421 nan 8.270 nan 0.000 0.477 34 L N 0.094 121.291 121.223 -0.044 0.000 2.700 34 L HA 0.174 4.514 4.340 0.000 0.000 0.234 34 L C 0.062 176.848 176.870 -0.140 0.000 1.156 34 L CA -0.513 54.245 54.840 -0.137 0.000 0.946 34 L CB -0.068 41.849 42.059 -0.236 0.000 1.216 34 L HN 0.121 nan 8.230 nan 0.000 0.493 35 Y N 3.842 124.026 120.300 -0.194 0.000 2.597 35 Y HA 0.043 4.594 4.550 0.000 0.000 0.336 35 Y C -1.358 174.304 175.900 -0.398 0.000 1.216 35 Y CA -1.200 56.726 58.100 -0.290 0.000 1.463 35 Y CB 0.814 39.077 38.460 -0.328 0.000 1.303 35 Y HN -0.046 nan 8.280 nan 0.000 0.576 36 P HA 0.024 nan 4.420 nan 0.000 0.257 36 P C 0.807 177.745 177.300 -0.602 0.000 1.325 36 P CA 0.539 62.826 63.100 -1.354 0.000 0.850 36 P CB 0.120 31.137 31.700 -1.138 0.000 1.324 37 L N 0.357 121.344 121.223 -0.394 0.000 2.353 37 L HA -0.075 4.266 4.340 0.000 0.000 0.220 37 L C 1.953 178.698 176.870 -0.208 0.000 1.133 37 L CA 2.002 56.680 54.840 -0.269 0.000 0.798 37 L CB -1.028 40.834 42.059 -0.328 0.000 0.922 37 L HN 0.163 nan 8.230 nan 0.000 0.445 38 T N -5.393 109.037 114.554 -0.206 0.000 3.054 38 T HA 0.031 4.381 4.350 0.000 0.000 0.255 38 T C 1.541 176.227 174.700 -0.023 0.000 1.035 38 T CA -0.334 61.721 62.100 -0.076 0.000 0.941 38 T CB 0.299 69.154 68.868 -0.021 0.000 1.026 38 T HN 0.106 nan 8.240 nan 0.000 0.533 39 K N 1.784 122.084 120.400 -0.166 0.000 2.103 39 K HA -0.009 4.311 4.320 0.000 0.000 0.207 39 K C 0.936 177.531 176.600 -0.008 0.000 1.048 39 K CA 0.999 57.230 56.287 -0.094 0.000 0.930 39 K CB 0.104 32.431 32.500 -0.287 0.000 0.716 39 K HN 0.217 nan 8.250 nan 0.000 0.444 40 K N 0.221 120.615 120.400 -0.011 0.000 3.320 40 K HA 0.122 4.442 4.320 0.000 0.000 0.194 40 K C -1.336 175.307 176.600 0.072 0.000 1.085 40 K CA -0.303 55.997 56.287 0.022 0.000 0.901 40 K CB 1.050 33.547 32.500 -0.005 0.000 0.765 40 K HN 0.173 nan 8.250 nan 0.000 0.480 41 R N -1.815 118.774 120.500 0.148 0.000 2.687 41 R HA 0.518 4.858 4.340 0.000 0.000 0.265 41 R C -1.434 174.992 176.300 0.209 0.000 1.048 41 R CA -0.899 55.302 56.100 0.167 0.000 0.884 41 R CB 0.655 30.988 30.300 0.055 0.000 1.258 41 R HN 0.023 nan 8.270 nan 0.000 0.469 42 A N 2.201 125.081 122.820 0.099 0.000 2.498 42 A HA 0.127 4.447 4.320 0.000 0.000 0.239 42 A C 0.951 178.445 177.584 -0.149 0.000 1.068 42 A CA 0.076 51.945 52.037 -0.280 0.000 0.766 42 A CB 0.579 19.386 19.000 -0.321 0.000 1.003 42 A HN 0.972 nan 8.150 nan 0.000 0.497 43 K N 1.958 122.250 120.400 -0.179 0.000 2.044 43 K HA -0.137 4.183 4.320 0.000 0.000 0.210 43 K C -0.972 175.588 176.600 -0.066 0.000 1.049 43 K CA 2.138 58.366 56.287 -0.098 0.000 0.927 43 K CB -0.893 31.558 32.500 -0.081 0.000 0.713 43 K HN 0.563 nan 8.250 nan 0.000 0.443 44 P HA -0.144 nan 4.420 nan 0.000 0.220 44 P C 0.366 177.662 177.300 -0.007 0.000 1.144 44 P CA 1.518 64.613 63.100 -0.009 0.000 0.800 44 P CB 0.022 31.725 31.700 0.005 0.000 0.772 45 A N -1.145 121.653 122.820 -0.036 0.000 2.208 45 A HA 0.065 4.385 4.320 0.000 0.000 0.209 45 A C 0.843 178.400 177.584 -0.045 0.000 1.161 45 A CA 0.054 52.058 52.037 -0.056 0.000 0.782 45 A CB -0.832 18.144 19.000 -0.040 0.000 0.816 45 A HN -0.015 nan 8.150 nan 0.000 0.477 46 V N 2.246 122.145 119.914 -0.025 0.000 2.584 46 V HA 0.020 4.140 4.120 0.000 0.000 0.303 46 V C -2.149 173.988 176.094 0.071 0.000 1.035 46 V CA -0.661 61.633 62.300 -0.009 0.000 1.172 46 V CB 0.175 31.957 31.823 -0.068 0.000 0.896 46 V HN 0.266 nan 8.190 nan 0.000 0.486 47 P HA 0.201 nan 4.420 nan 0.000 0.266 47 P C -0.744 176.686 177.300 0.217 0.000 1.195 47 P CA 0.033 63.193 63.100 0.100 0.000 0.768 47 P CB 0.537 32.274 31.700 0.062 0.000 0.838 48 L N 1.967 123.283 121.223 0.154 0.000 2.445 48 L HA 0.637 4.977 4.340 0.000 0.000 0.262 48 L C 0.480 177.353 176.870 0.004 0.000 0.974 48 L CA -0.018 54.893 54.840 0.119 0.000 0.822 48 L CB 1.481 43.679 42.059 0.233 0.000 1.339 48 L HN 0.583 nan 8.230 nan 0.000 0.409 49 G N 3.894 112.593 108.800 -0.169 0.000 2.421 49 G HA2 0.082 4.042 3.960 0.000 0.000 0.300 49 G HA3 0.082 4.042 3.960 0.000 0.000 0.300 49 G C 1.030 175.807 174.900 -0.206 0.000 0.974 49 G CA 1.401 46.296 45.100 -0.341 0.000 1.062 49 G HN 2.310 nan 8.290 nan 0.000 0.514 50 A N -1.444 121.295 122.820 -0.134 0.000 1.699 50 A HA -0.315 4.005 4.320 0.000 0.000 0.227 50 A C 1.767 179.257 177.584 -0.157 0.000 0.493 50 A CA 2.169 54.130 52.037 -0.127 0.000 1.113 50 A CB -1.462 17.458 19.000 -0.134 0.000 1.450 50 A HN 1.273 nan 8.150 nan 0.000 0.714 51 N N -1.482 117.066 118.700 -0.253 0.000 2.171 51 N HA 0.374 5.115 4.740 0.000 0.000 0.212 51 N C -0.048 175.118 175.510 -0.574 0.000 1.184 51 N CA 0.746 53.516 53.050 -0.468 0.000 0.888 51 N CB 0.354 38.431 38.487 -0.684 0.000 1.038 51 N HN 0.699 nan 8.380 nan 0.000 0.517 52 Y N 0.431 120.690 120.300 -0.067 0.000 2.772 52 Y HA 0.596 5.146 4.550 0.000 0.000 0.324 52 Y C 0.515 176.429 175.900 0.024 0.000 1.169 52 Y CA -0.940 57.187 58.100 0.044 0.000 1.198 52 Y CB 1.103 39.642 38.460 0.133 0.000 1.402 52 Y HN -0.435 nan 8.280 nan 0.000 0.577 53 R N -0.264 120.381 120.500 0.242 0.000 2.774 53 R HA 0.414 4.754 4.340 0.000 0.000 0.272 53 R C 0.394 176.796 176.300 0.171 0.000 1.000 53 R CA -0.798 55.356 56.100 0.090 0.000 0.906 53 R CB 1.845 32.039 30.300 -0.177 0.000 1.227 53 R HN 0.565 nan 8.270 nan 0.000 0.468 54 L N 1.014 122.321 121.223 0.140 0.000 1.997 54 L HA -0.278 4.062 4.340 0.000 0.000 0.216 54 L C 2.257 179.204 176.870 0.128 0.000 1.074 54 L CA 1.573 56.495 54.840 0.136 0.000 0.763 54 L CB -0.421 41.696 42.059 0.096 0.000 0.890 54 L HN 0.624 nan 8.230 nan 0.000 0.434 55 I N 0.424 121.067 120.570 0.122 0.000 2.399 55 I HA -0.329 3.841 4.170 0.000 0.000 0.254 55 I C 1.951 178.189 176.117 0.201 0.000 1.146 55 I CA 1.604 62.990 61.300 0.144 0.000 1.412 55 I CB -0.574 37.522 38.000 0.160 0.000 1.076 55 I HN 0.266 nan 8.210 nan 0.000 0.432 56 D N 0.251 120.828 120.400 0.296 0.000 2.218 56 D HA -0.156 4.484 4.640 0.000 0.000 0.204 56 D C 2.246 178.671 176.300 0.208 0.000 0.976 56 D CA 1.064 55.297 54.000 0.388 0.000 0.853 56 D CB -0.022 41.095 40.800 0.528 0.000 0.939 56 D HN 0.326 nan 8.370 nan 0.000 0.481 57 I N 1.775 122.408 120.570 0.105 0.000 2.133 57 I HA -0.153 4.017 4.170 0.000 0.000 0.238 57 I C -0.544 175.535 176.117 -0.063 0.000 1.074 57 I CA 1.182 62.459 61.300 -0.040 0.000 1.342 57 I CB -2.556 35.374 38.000 -0.117 0.000 1.053 57 I HN 0.001 nan 8.210 nan 0.000 0.404 58 P HA -0.069 nan 4.420 nan 0.000 0.217 58 P C 2.186 179.506 177.300 0.033 0.000 1.150 58 P CA 1.248 64.376 63.100 0.047 0.000 0.832 58 P CB 0.029 31.782 31.700 0.088 0.000 0.787 59 V N 0.573 120.478 119.914 -0.014 0.000 2.343 59 V HA -0.181 3.939 4.120 0.000 0.000 0.247 59 V C 2.730 178.773 176.094 -0.085 0.000 1.051 59 V CA 2.346 64.564 62.300 -0.136 0.000 1.036 59 V CB -1.430 30.189 31.823 -0.342 0.000 0.654 59 V HN 0.167 nan 8.190 nan 0.000 0.451 60 S N 0.279 115.996 115.700 0.028 0.000 2.383 60 S HA -0.143 4.327 4.470 0.000 0.000 0.227 60 S C 1.863 176.460 174.600 -0.006 0.000 1.026 60 S CA 1.106 59.362 58.200 0.093 0.000 0.981 60 S CB -0.393 62.796 63.200 -0.018 0.000 0.818 60 S HN 0.597 nan 8.310 nan 0.000 0.472 61 N N 1.127 119.785 118.700 -0.069 0.000 2.188 61 N HA -0.038 4.702 4.740 0.000 0.000 0.184 61 N C 1.776 177.295 175.510 0.015 0.000 1.018 61 N CA 0.873 53.825 53.050 -0.163 0.000 0.858 61 N CB -0.722 37.568 38.487 -0.329 0.000 0.989 61 N HN 0.358 nan 8.380 nan 0.000 0.426 62 C N 0.946 120.357 119.300 0.184 0.000 2.436 62 C HA 0.008 4.468 4.460 0.000 0.000 0.277 62 C C 2.837 177.875 174.990 0.081 0.000 1.241 62 C CA 0.214 59.348 59.018 0.194 0.000 1.721 62 C CB -1.184 26.582 27.740 0.043 0.000 2.043 62 C HN 0.417 nan 8.230 nan 0.000 0.472 63 L N 1.188 122.440 121.223 0.048 0.000 2.013 63 L HA -0.183 4.157 4.340 0.000 0.000 0.212 63 L C 2.082 179.011 176.870 0.098 0.000 1.073 63 L CA 1.519 56.402 54.840 0.071 0.000 0.753 63 L CB -0.841 41.311 42.059 0.156 0.000 0.890 63 L HN 0.449 nan 8.230 nan 0.000 0.432 64 N N -0.633 118.129 118.700 0.103 0.000 2.550 64 N HA -0.078 4.662 4.740 0.000 0.000 0.186 64 N C 1.346 176.863 175.510 0.011 0.000 1.110 64 N CA 0.675 53.759 53.050 0.056 0.000 0.912 64 N CB 0.144 38.624 38.487 -0.013 0.000 0.968 64 N HN 0.175 nan 8.380 nan 0.000 0.448 65 S N 0.175 115.891 115.700 0.027 0.000 2.568 65 S HA 0.110 4.580 4.470 0.000 0.000 0.232 65 S C 0.438 175.069 174.600 0.051 0.000 0.975 65 S CA -0.497 57.731 58.200 0.046 0.000 0.949 65 S CB -0.178 63.100 63.200 0.129 0.000 0.829 65 S HN 0.437 nan 8.310 nan 0.000 0.479 66 N N 1.082 119.801 118.700 0.031 0.000 2.776 66 N HA -0.167 4.573 4.740 0.000 0.000 0.249 66 N C -0.898 174.605 175.510 -0.012 0.000 1.111 66 N CA 0.185 53.241 53.050 0.009 0.000 0.711 66 N CB -0.890 37.602 38.487 0.007 0.000 1.065 66 N HN 0.376 nan 8.380 nan 0.000 0.556 67 I N 1.760 122.321 120.570 -0.014 0.000 2.359 67 I HA 0.111 4.281 4.170 0.000 0.000 0.284 67 I C 1.286 177.327 176.117 -0.126 0.000 1.018 67 I CA -0.300 60.961 61.300 -0.065 0.000 1.173 67 I CB 1.504 39.480 38.000 -0.041 0.000 1.326 67 I HN 0.227 nan 8.210 nan 0.000 0.462 68 S N 4.162 119.758 115.700 -0.174 0.000 2.502 68 S HA 0.180 4.650 4.470 0.000 0.000 0.215 68 S C 0.687 175.012 174.600 -0.458 0.000 1.009 68 S CA -0.229 57.830 58.200 -0.235 0.000 0.908 68 S CB 0.046 63.150 63.200 -0.159 0.000 0.801 68 S HN 0.498 nan 8.310 nan 0.000 0.505 69 K N 1.896 121.960 120.400 -0.559 0.000 2.250 69 K HA 0.494 4.815 4.320 0.000 0.000 0.280 69 K C -1.114 174.926 176.600 -0.934 0.000 1.098 69 K CA 0.034 55.659 56.287 -1.104 0.000 0.916 69 K CB 0.579 32.633 32.500 -0.744 0.000 1.209 69 K HN 0.386 nan 8.250 nan 0.000 0.461 70 I N 3.121 123.084 120.570 -1.011 0.000 2.466 70 I HA 0.298 4.468 4.170 0.000 0.000 0.289 70 I C -0.745 175.230 176.117 -0.237 0.000 1.026 70 I CA -1.037 59.983 61.300 -0.467 0.000 1.078 70 I CB 1.198 39.021 38.000 -0.295 0.000 1.249 70 I HN 0.434 nan 8.210 nan 0.000 0.429 71 Y N 4.541 124.843 120.300 0.004 0.000 2.420 71 Y HA 0.590 5.140 4.550 0.000 0.000 0.334 71 Y C -0.150 175.760 175.900 0.017 0.000 1.094 71 Y CA -0.950 57.208 58.100 0.095 0.000 1.126 71 Y CB 2.338 40.879 38.460 0.135 0.000 1.217 71 Y HN 0.161 nan 8.280 nan 0.000 0.462 72 V N 5.306 125.360 119.914 0.234 0.000 2.376 72 V HA 0.255 4.376 4.120 0.000 0.000 0.287 72 V C -0.645 175.524 176.094 0.125 0.000 1.015 72 V CA -0.816 61.563 62.300 0.132 0.000 0.834 72 V CB 1.191 33.078 31.823 0.106 0.000 1.001 72 V HN 0.541 nan 8.190 nan 0.000 0.428 73 L N 4.183 125.483 121.223 0.129 0.000 2.292 73 L HA 0.677 5.017 4.340 0.000 0.000 0.284 73 L C 0.239 177.283 176.870 0.289 0.000 1.065 73 L CA 0.551 55.518 54.840 0.212 0.000 0.806 73 L CB 1.377 43.542 42.059 0.178 0.000 1.175 73 L HN 0.755 nan 8.230 nan 0.000 0.431 74 T N 0.877 115.601 114.554 0.284 0.000 2.821 74 T HA 0.128 4.478 4.350 0.000 0.000 0.306 74 T C 0.508 175.121 174.700 -0.145 0.000 1.313 74 T CA -0.356 61.803 62.100 0.099 0.000 1.012 74 T CB 1.827 70.653 68.868 -0.070 0.000 1.298 74 T HN 0.712 nan 8.240 nan 0.000 0.502 75 Q N 0.250 119.875 119.800 -0.290 0.000 2.061 75 Q HA 0.008 4.348 4.340 0.000 0.000 0.204 75 Q C -0.028 175.900 176.000 -0.121 0.000 0.984 75 Q CA 1.719 57.325 55.803 -0.328 0.000 0.846 75 Q CB -0.024 28.634 28.738 -0.134 0.000 0.902 75 Q HN 0.606 nan 8.270 nan 0.000 0.421 76 F N -2.141 117.770 119.950 -0.064 0.000 2.643 76 F HA 0.567 5.094 4.527 0.000 0.000 0.314 76 F C -0.752 175.054 175.800 0.010 0.000 1.096 76 F CA -1.638 56.346 58.000 -0.025 0.000 0.953 76 F CB 0.565 39.550 39.000 -0.025 0.000 1.345 76 F HN -0.288 nan 8.300 nan 0.000 0.468 77 N N 0.448 119.317 118.700 0.282 0.000 2.434 77 N HA 0.638 5.379 4.740 0.000 0.000 0.266 77 N C -1.229 174.458 175.510 0.295 0.000 1.223 77 N CA 0.088 53.252 53.050 0.189 0.000 0.972 77 N CB 1.744 40.315 38.487 0.141 0.000 1.207 77 N HN 0.912 nan 8.380 nan 0.000 0.525 78 S N -0.825 114.986 115.700 0.185 0.000 2.543 78 S HA 0.593 5.064 4.470 0.000 0.000 0.271 78 S C 0.431 175.105 174.600 0.124 0.000 1.148 78 S CA -0.288 58.023 58.200 0.184 0.000 0.914 78 S CB 1.162 64.490 63.200 0.213 0.000 1.096 78 S HN 0.558 nan 8.310 nan 0.000 0.471 79 A N 2.809 125.692 122.820 0.105 0.000 1.902 79 A HA 0.013 4.334 4.320 0.000 0.000 0.217 79 A C 2.404 180.043 177.584 0.092 0.000 1.181 79 A CA 2.230 54.320 52.037 0.088 0.000 0.623 79 A CB -1.464 17.578 19.000 0.070 0.000 0.818 79 A HN 1.229 nan 8.150 nan 0.000 0.443 80 S N -0.621 115.135 115.700 0.093 0.000 2.359 80 S HA -0.177 4.293 4.470 0.000 0.000 0.223 80 S C 1.951 176.619 174.600 0.113 0.000 1.039 80 S CA 1.652 59.908 58.200 0.093 0.000 1.042 80 S CB -0.460 62.790 63.200 0.083 0.000 0.915 80 S HN 0.523 nan 8.310 nan 0.000 0.439 81 L N 1.234 122.522 121.223 0.108 0.000 2.046 81 L HA -0.139 4.201 4.340 0.000 0.000 0.208 81 L C 2.208 179.178 176.870 0.165 0.000 1.077 81 L CA 1.584 56.499 54.840 0.124 0.000 0.747 81 L CB -0.668 41.440 42.059 0.082 0.000 0.896 81 L HN 0.362 nan 8.230 nan 0.000 0.432 82 N N 0.036 118.815 118.700 0.132 0.000 2.120 82 N HA -0.240 4.501 4.740 0.000 0.000 0.188 82 N C 1.827 177.412 175.510 0.124 0.000 1.024 82 N CA 1.206 54.332 53.050 0.126 0.000 0.852 82 N CB -0.385 38.163 38.487 0.102 0.000 1.003 82 N HN 0.300 nan 8.380 nan 0.000 0.424 83 R N -0.004 120.564 120.500 0.115 0.000 2.083 83 R HA -0.185 4.155 4.340 0.000 0.000 0.237 83 R C 2.145 178.504 176.300 0.099 0.000 1.137 83 R CA 1.661 57.817 56.100 0.094 0.000 0.951 83 R CB -0.359 29.993 30.300 0.087 0.000 0.851 83 R HN 0.364 nan 8.270 nan 0.000 0.434 84 H N 0.202 119.301 119.070 0.049 0.000 2.353 84 H HA -0.067 4.489 4.556 0.000 0.000 0.300 84 H C 1.989 177.347 175.328 0.049 0.000 1.090 84 H CA 2.087 58.155 56.048 0.034 0.000 1.327 84 H CB -0.143 29.654 29.762 0.058 0.000 1.383 84 H HN 0.166 nan 8.280 nan 0.000 0.508 85 L N -0.145 121.186 121.223 0.180 0.000 1.994 85 L HA -0.181 4.159 4.340 0.000 0.000 0.208 85 L C 2.833 179.790 176.870 0.145 0.000 1.071 85 L CA 1.439 56.428 54.840 0.248 0.000 0.745 85 L CB -0.680 41.542 42.059 0.272 0.000 0.892 85 L HN 0.467 nan 8.230 nan 0.000 0.431 86 S N 0.088 115.842 115.700 0.090 0.000 2.351 86 S HA -0.235 4.235 4.470 0.000 0.000 0.220 86 S C 2.046 176.637 174.600 -0.014 0.000 1.035 86 S CA 1.010 59.246 58.200 0.060 0.000 1.031 86 S CB -0.597 62.637 63.200 0.056 0.000 0.928 86 S HN 0.329 nan 8.310 nan 0.000 0.433 87 R N 1.699 122.161 120.500 -0.065 0.000 2.081 87 R HA 0.044 4.384 4.340 0.000 0.000 0.235 87 R C 2.729 178.881 176.300 -0.247 0.000 1.131 87 R CA 1.360 57.389 56.100 -0.118 0.000 0.960 87 R CB -0.774 29.470 30.300 -0.095 0.000 0.856 87 R HN 0.600 nan 8.270 nan 0.000 0.436 88 A N -0.107 122.430 122.820 -0.472 0.000 2.016 88 A HA 0.001 4.321 4.320 0.000 0.000 0.217 88 A C 0.370 177.435 177.584 -0.864 0.000 1.162 88 A CA 0.847 52.412 52.037 -0.787 0.000 0.662 88 A CB 0.049 18.281 19.000 -1.279 0.000 0.812 88 A HN 0.228 nan 8.150 nan 0.000 0.450 99 E N -1.513 118.716 120.200 0.048 0.000 4.273 99 E HA -0.094 4.257 4.350 0.000 0.000 0.390 99 E C -0.203 176.451 176.600 0.089 0.000 0.590 99 E CA 1.220 57.666 56.400 0.076 0.000 1.435 99 E CB -1.560 28.177 29.700 0.062 0.000 1.844 99 E HN 0.659 nan 8.360 nan 0.000 0.369 100 G N -0.318 108.496 108.800 0.022 0.000 2.588 100 G HA2 0.552 4.512 3.960 0.000 0.000 0.281 100 G HA3 0.552 4.512 3.960 0.000 0.000 0.281 100 G C -0.120 174.804 174.900 0.040 0.000 1.236 100 G CA 0.049 45.096 45.100 -0.088 0.000 0.969 100 G HN 0.530 nan 8.290 nan 0.000 0.504 101 F N -3.307 116.595 119.950 -0.081 0.000 2.770 101 F HA 0.606 5.133 4.527 0.000 0.000 0.313 101 F C -1.379 174.345 175.800 -0.127 0.000 1.154 101 F CA -1.593 56.356 58.000 -0.084 0.000 0.923 101 F CB 1.394 40.339 39.000 -0.093 0.000 1.301 101 F HN 0.441 nan 8.300 nan 0.000 0.449 102 V N 1.571 121.621 119.914 0.227 0.000 2.462 102 V HA 0.477 4.597 4.120 0.000 0.000 0.288 102 V C -0.993 175.222 176.094 0.201 0.000 1.020 102 V CA -0.494 61.879 62.300 0.122 0.000 0.857 102 V CB 1.304 33.153 31.823 0.044 0.000 1.013 102 V HN 0.812 nan 8.190 nan 0.000 0.431 103 E N 2.821 123.160 120.200 0.233 0.000 2.266 103 E HA 0.663 5.013 4.350 0.000 0.000 0.268 103 E C -1.275 175.465 176.600 0.233 0.000 0.879 103 E CA -0.861 55.659 56.400 0.201 0.000 0.762 103 E CB 3.154 32.936 29.700 0.138 0.000 1.199 103 E HN 0.406 nan 8.360 nan 0.000 0.422 104 V N 3.624 123.631 119.914 0.155 0.000 2.407 104 V HA 0.299 4.419 4.120 0.000 0.000 0.278 104 V C -0.224 175.891 176.094 0.035 0.000 1.037 104 V CA -0.547 61.818 62.300 0.108 0.000 0.900 104 V CB 0.588 32.462 31.823 0.085 0.000 0.983 104 V HN 0.473 nan 8.190 nan 0.000 0.459 105 L N 4.701 125.892 121.223 -0.054 0.000 2.298 105 L HA 0.753 5.093 4.340 0.000 0.000 0.284 105 L C 0.283 177.088 176.870 -0.108 0.000 1.013 105 L CA -0.497 54.146 54.840 -0.329 0.000 0.824 105 L CB 1.574 43.080 42.059 -0.921 0.000 1.221 105 L HN 0.715 nan 8.230 nan 0.000 0.418 106 A N 2.174 125.012 122.820 0.031 0.000 2.290 106 A HA 0.685 5.006 4.320 0.000 0.000 0.310 106 A C 0.890 178.618 177.584 0.240 0.000 1.202 106 A CA 0.017 52.126 52.037 0.119 0.000 0.837 106 A CB 1.440 20.506 19.000 0.110 0.000 1.139 106 A HN 0.895 nan 8.150 nan 0.000 0.509 107 A N 1.426 124.253 122.820 0.012 0.000 2.014 107 A HA 0.066 4.386 4.320 0.000 0.000 0.218 107 A C 1.079 178.646 177.584 -0.028 0.000 1.163 107 A CA 1.408 53.395 52.037 -0.084 0.000 0.652 107 A CB -0.104 18.322 19.000 -0.956 0.000 0.808 107 A HN 0.841 nan 8.150 nan 0.000 0.449 108 Q N -0.566 119.228 119.800 -0.010 0.000 2.340 108 Q HA 0.329 4.669 4.340 0.000 0.000 0.268 108 Q C -0.136 175.913 176.000 0.082 0.000 1.031 108 Q CA -0.542 55.280 55.803 0.033 0.000 0.804 108 Q CB 1.364 30.122 28.738 0.034 0.000 1.286 108 Q HN 0.425 nan 8.270 nan 0.000 0.448 109 Q N 1.711 121.550 119.800 0.064 0.000 2.472 109 Q HA 0.081 4.421 4.340 0.000 0.000 0.208 109 Q C -0.703 175.326 176.000 0.049 0.000 0.958 109 Q CA 0.494 56.337 55.803 0.067 0.000 0.932 109 Q CB 0.322 29.089 28.738 0.047 0.000 1.007 109 Q HN 0.825 nan 8.270 nan 0.000 0.508 110 S N -0.718 115.003 115.700 0.035 0.000 4.089 110 S HA -0.073 4.397 4.470 0.000 0.000 0.660 110 S C -2.492 172.084 174.600 -0.040 0.000 0.899 110 S CA -0.587 57.606 58.200 -0.013 0.000 1.074 110 S CB -0.984 62.200 63.200 -0.027 0.000 0.391 110 S HN 0.533 nan 8.310 nan 0.000 1.012 118 Q N 1.652 121.581 119.800 0.216 0.000 2.331 118 Q HA 0.377 4.717 4.340 0.000 0.000 0.203 118 Q C 0.678 176.725 176.000 0.079 0.000 0.944 118 Q CA 1.122 56.990 55.803 0.110 0.000 0.892 118 Q CB 0.722 29.498 28.738 0.064 0.000 0.983 118 Q HN 0.869 nan 8.270 nan 0.000 0.482 119 G N -2.644 106.199 108.800 0.072 0.000 2.316 119 G HA2 0.100 4.060 3.960 0.000 0.000 0.296 119 G HA3 0.100 4.060 3.960 0.000 0.000 0.296 119 G C 0.351 175.238 174.900 -0.022 0.000 1.399 119 G CA -0.136 44.985 45.100 0.034 0.000 0.833 119 G HN -0.024 nan 8.290 nan 0.000 0.565 120 T N -1.688 112.888 114.554 0.036 0.000 2.653 120 T HA -0.103 4.247 4.350 0.000 0.000 0.268 120 T C 2.559 177.264 174.700 0.009 0.000 1.035 120 T CA 2.816 64.989 62.100 0.122 0.000 1.154 120 T CB -0.585 68.519 68.868 0.392 0.000 0.862 120 T HN 1.734 nan 8.240 nan 0.000 0.441 121 A N 1.673 124.287 122.820 -0.344 0.000 1.930 121 A HA -0.033 4.288 4.320 0.000 0.000 0.217 121 A C 2.089 179.481 177.584 -0.319 0.000 1.175 121 A CA 1.770 53.350 52.037 -0.762 0.000 0.627 121 A CB -0.949 17.551 19.000 -0.834 0.000 0.815 121 A HN 0.545 nan 8.150 nan 0.000 0.443 122 D N -0.126 120.161 120.400 -0.188 0.000 2.084 122 D HA -0.018 4.623 4.640 0.000 0.000 0.194 122 D C 2.300 178.538 176.300 -0.104 0.000 0.990 122 D CA 1.675 55.621 54.000 -0.090 0.000 0.826 122 D CB -0.226 40.569 40.800 -0.008 0.000 0.971 122 D HN 0.378 nan 8.370 nan 0.000 0.453 123 A N 0.055 122.698 122.820 -0.295 0.000 1.892 123 A HA -0.205 4.115 4.320 0.000 0.000 0.218 123 A C 2.423 179.902 177.584 -0.176 0.000 1.188 123 A CA 1.671 53.300 52.037 -0.679 0.000 0.631 123 A CB -0.957 17.233 19.000 -1.350 0.000 0.822 123 A HN 0.181 nan 8.150 nan 0.000 0.447 124 V N -0.228 119.667 119.914 -0.031 0.000 2.358 124 V HA -0.228 3.892 4.120 0.000 0.000 0.246 124 V C 2.641 178.833 176.094 0.164 0.000 1.047 124 V CA 2.203 64.614 62.300 0.186 0.000 1.035 124 V CB -0.792 31.194 31.823 0.272 0.000 0.658 124 V HN 0.656 nan 8.190 nan 0.000 0.452 125 R N -0.150 120.376 120.500 0.043 0.000 2.096 125 R HA -0.228 4.112 4.340 0.000 0.000 0.235 125 R C 2.431 178.745 176.300 0.024 0.000 1.127 125 R CA 1.915 58.033 56.100 0.031 0.000 0.968 125 R CB -0.295 29.999 30.300 -0.010 0.000 0.861 125 R HN 0.617 nan 8.270 nan 0.000 0.440 126 Q N -0.620 119.189 119.800 0.015 0.000 2.152 126 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 126 Q C 0.344 176.211 176.000 -0.222 0.000 0.985 126 Q CA 1.659 57.428 55.803 -0.057 0.000 0.863 126 Q CB 0.086 28.824 28.738 -0.001 0.000 0.904 126 Q HN 0.510 nan 8.270 nan 0.000 0.422 127 Y N -0.517 119.687 120.300 -0.158 0.000 2.636 127 Y HA 0.161 4.711 4.550 0.000 0.000 0.260 127 Y C 1.323 176.507 175.900 -1.193 0.000 1.177 127 Y CA -0.377 57.290 58.100 -0.722 0.000 1.209 127 Y CB 0.474 38.359 38.460 -0.959 0.000 1.166 127 Y HN 0.121 nan 8.280 nan 0.000 0.531 128 L N 0.676 121.678 121.223 -0.369 0.000 2.081 128 L HA -0.265 4.075 4.340 0.000 0.000 0.212 128 L C 2.414 179.167 176.870 -0.195 0.000 1.080 128 L CA 1.934 56.679 54.840 -0.159 0.000 0.754 128 L CB -0.332 41.769 42.059 0.069 0.000 0.893 128 L HN 0.647 nan 8.230 nan 0.000 0.433 129 W N -0.666 120.556 121.300 -0.131 0.000 2.374 129 W HA -0.227 4.433 4.660 0.000 0.000 0.288 129 W C 1.902 178.378 176.519 -0.072 0.000 1.218 129 W CA 0.484 57.786 57.345 -0.072 0.000 1.245 129 W CB -1.091 28.319 29.460 -0.084 0.000 1.126 129 W HN 0.175 nan 8.180 nan 0.000 0.545 130 L N 0.060 120.456 121.223 -1.378 0.000 2.068 130 L HA -0.088 4.252 4.340 0.000 0.000 0.204 130 L C 2.794 179.461 176.870 -0.338 0.000 1.076 130 L CA 1.501 55.637 54.840 -1.172 0.000 0.753 130 L CB -0.784 40.227 42.059 -1.746 0.000 0.910 130 L HN -0.179 nan 8.230 nan 0.000 0.439 131 F N 0.399 120.231 119.950 -0.196 0.000 2.171 131 F HA -0.272 4.255 4.527 0.000 0.000 0.300 131 F C 2.526 178.522 175.800 0.327 0.000 1.090 131 F CA 1.166 59.235 58.000 0.115 0.000 1.293 131 F CB -0.291 38.551 39.000 -0.264 0.000 1.013 131 F HN 0.228 nan 8.300 nan 0.000 0.486 132 E N 1.036 121.443 120.200 0.345 0.000 2.209 132 E HA -0.221 4.130 4.350 0.000 0.000 0.196 132 E C 1.573 178.322 176.600 0.248 0.000 0.993 132 E CA 1.147 57.740 56.400 0.322 0.000 0.819 132 E CB -0.126 29.712 29.700 0.229 0.000 0.745 132 E HN 0.497 nan 8.360 nan 0.000 0.477 133 E N -0.411 119.895 120.200 0.178 0.000 2.516 133 E HA -0.068 4.282 4.350 0.000 0.000 0.199 133 E C -0.001 176.590 176.600 -0.015 0.000 1.069 133 E CA 0.142 56.578 56.400 0.059 0.000 0.876 133 E CB 0.031 29.723 29.700 -0.014 0.000 0.843 133 E HN 0.364 nan 8.360 nan 0.000 0.530 134 H N 0.031 119.235 119.070 0.223 0.000 2.472 134 H HA 0.178 4.734 4.556 0.000 0.000 0.335 134 H C -0.162 175.261 175.328 0.158 0.000 1.136 134 H CA -0.039 56.140 56.048 0.218 0.000 1.264 134 H CB 1.562 31.508 29.762 0.306 0.000 1.486 134 H HN -0.160 nan 8.280 nan 0.000 0.517 135 T N 3.514 118.200 114.554 0.220 0.000 3.145 135 T HA 0.307 4.657 4.350 0.000 0.000 0.348 135 T C 0.332 175.092 174.700 0.100 0.000 1.299 135 T CA -0.600 61.576 62.100 0.126 0.000 1.037 135 T CB -0.809 68.112 68.868 0.088 0.000 1.122 135 T HN 0.409 nan 8.240 nan 0.000 0.600 136 V N 0.987 120.942 119.914 0.068 0.000 3.001 136 V HA 0.597 4.717 4.120 0.000 0.000 0.314 136 V C 0.727 176.765 176.094 -0.094 0.000 1.099 136 V CA -1.098 61.197 62.300 -0.009 0.000 0.989 136 V CB 1.720 33.539 31.823 -0.007 0.000 1.040 136 V HN 0.528 nan 8.190 nan 0.000 0.434 137 L N -0.140 121.016 121.223 -0.111 0.000 2.168 137 L HA 0.368 4.708 4.340 0.000 0.000 0.203 137 L C 0.726 177.462 176.870 -0.223 0.000 1.078 137 L CA 1.059 55.824 54.840 -0.126 0.000 0.780 137 L CB -0.009 42.005 42.059 -0.074 0.000 0.939 137 L HN 0.797 nan 8.230 nan 0.000 0.451 138 E N -2.165 117.870 120.200 -0.275 0.000 2.416 138 E HA 0.419 4.769 4.350 0.000 0.000 0.273 138 E C -1.614 174.770 176.600 -0.359 0.000 0.935 138 E CA -0.542 55.637 56.400 -0.369 0.000 0.784 138 E CB 1.538 31.029 29.700 -0.347 0.000 1.301 138 E HN -0.071 nan 8.360 nan 0.000 0.454 139 Y N 0.733 120.912 120.300 -0.201 0.000 2.341 139 Y HA 0.424 4.974 4.550 0.000 0.000 0.338 139 Y C -0.689 175.038 175.900 -0.288 0.000 0.965 139 Y CA -1.370 56.592 58.100 -0.231 0.000 1.108 139 Y CB 1.392 39.729 38.460 -0.206 0.000 1.180 139 Y HN 0.272 nan 8.280 nan 0.000 0.458 140 L N 5.808 126.942 121.223 -0.148 0.000 2.255 140 L HA 0.441 4.781 4.340 0.000 0.000 0.289 140 L C -1.098 175.622 176.870 -0.248 0.000 1.046 140 L CA -0.420 54.270 54.840 -0.251 0.000 0.816 140 L CB 0.018 41.883 42.059 -0.322 0.000 1.197 140 L HN 0.418 nan 8.230 nan 0.000 0.427 141 I N 7.035 127.462 120.570 -0.237 0.000 2.315 141 I HA 0.257 4.427 4.170 0.000 0.000 0.291 141 I C -0.364 175.564 176.117 -0.314 0.000 1.006 141 I CA -0.329 60.806 61.300 -0.276 0.000 1.265 141 I CB 1.062 38.879 38.000 -0.306 0.000 1.387 141 I HN 0.561 nan 8.210 nan 0.000 0.475 142 L N 6.389 127.468 121.223 -0.239 0.000 2.366 142 L HA 0.606 4.946 4.340 0.000 0.000 0.266 142 L C 0.193 177.009 176.870 -0.091 0.000 1.010 142 L CA -0.391 54.352 54.840 -0.163 0.000 0.879 142 L CB 1.398 43.406 42.059 -0.085 0.000 1.228 142 L HN 0.659 nan 8.230 nan 0.000 0.439 143 A N 2.163 124.912 122.820 -0.118 0.000 2.306 143 A HA 0.951 5.272 4.320 0.000 0.000 0.330 143 A C 0.494 178.124 177.584 0.076 0.000 1.146 143 A CA 0.188 52.212 52.037 -0.021 0.000 0.827 143 A CB 1.265 20.252 19.000 -0.021 0.000 1.178 143 A HN 0.869 nan 8.150 nan 0.000 0.490 144 G N 0.483 109.341 108.800 0.097 0.000 2.760 144 G HA2 -0.021 3.939 3.960 0.000 0.000 0.246 144 G HA3 -0.021 3.939 3.960 0.000 0.000 0.246 144 G C -1.048 173.885 174.900 0.055 0.000 1.359 144 G CA -0.153 45.017 45.100 0.116 0.000 0.861 144 G HN 0.876 nan 8.290 nan 0.000 0.541 145 D N 0.804 121.088 120.400 -0.193 0.000 2.481 145 D HA 0.582 5.222 4.640 0.000 0.000 0.246 145 D C -0.651 175.208 176.300 -0.735 0.000 1.109 145 D CA -0.093 53.751 54.000 -0.260 0.000 0.845 145 D CB 1.344 42.046 40.800 -0.164 0.000 1.160 145 D HN 0.484 nan 8.370 nan 0.000 0.534 146 H N 0.175 119.089 119.070 -0.261 0.000 2.996 146 H HA 0.337 4.893 4.556 0.000 0.000 0.368 146 H C -0.494 174.647 175.328 -0.312 0.000 1.185 146 H CA -0.626 55.104 56.048 -0.530 0.000 1.160 146 H CB 1.860 30.797 29.762 -1.374 0.000 1.820 146 H HN 0.142 nan 8.280 nan 0.000 0.547 147 L N 4.129 125.164 121.223 -0.315 0.000 2.278 147 L HA 0.327 4.667 4.340 0.000 0.000 0.287 147 L C -1.181 175.477 176.870 -0.354 0.000 1.072 147 L CA -0.228 54.308 54.840 -0.507 0.000 0.819 147 L CB -0.189 41.570 42.059 -0.500 0.000 1.176 147 L HN 0.773 nan 8.230 nan 0.000 0.435 148 Y N 2.597 122.536 120.300 -0.601 0.000 2.583 148 Y HA 0.453 5.003 4.550 0.000 0.000 0.330 148 Y C -1.422 174.531 175.900 0.089 0.000 1.185 148 Y CA -1.331 56.723 58.100 -0.077 0.000 1.107 148 Y CB 0.949 39.476 38.460 0.111 0.000 1.344 148 Y HN 0.492 nan 8.280 nan 0.000 0.463 149 R N 5.272 125.917 120.500 0.240 0.000 2.393 149 R HA 0.752 5.092 4.340 0.000 0.000 0.315 149 R C -1.744 174.610 176.300 0.090 0.000 0.952 149 R CA -0.842 55.262 56.100 0.007 0.000 0.842 149 R CB 1.536 31.895 30.300 0.098 0.000 1.163 149 R HN 1.023 nan 8.270 nan 0.000 0.450 150 M N 3.468 122.961 119.600 -0.178 0.000 2.446 150 M HA 0.236 4.717 4.480 0.000 0.000 0.294 150 M C -1.762 174.291 176.300 -0.412 0.000 1.158 150 M CA -0.747 54.502 55.300 -0.084 0.000 0.899 150 M CB 2.225 34.895 32.600 0.115 0.000 1.687 150 M HN 0.637 nan 8.290 nan 0.000 0.455 151 D N 2.566 122.859 120.400 -0.179 0.000 2.456 151 D HA 0.189 4.829 4.640 0.000 0.000 0.219 151 D C -0.142 176.147 176.300 -0.019 0.000 1.126 151 D CA 0.002 53.912 54.000 -0.149 0.000 0.890 151 D CB 0.164 40.943 40.800 -0.035 0.000 1.025 151 D HN 0.583 nan 8.370 nan 0.000 0.511 152 Y N 1.682 122.046 120.300 0.106 0.000 2.569 152 Y HA -0.117 4.433 4.550 0.000 0.000 0.293 152 Y C 1.902 177.866 175.900 0.107 0.000 1.144 152 Y CA 0.307 58.503 58.100 0.160 0.000 1.321 152 Y CB 0.023 38.563 38.460 0.134 0.000 0.982 152 Y HN 0.467 nan 8.280 nan 0.000 0.558 153 E N 0.790 121.100 120.200 0.183 0.000 2.072 153 E HA -0.187 4.163 4.350 0.000 0.000 0.191 153 E C 1.883 178.536 176.600 0.089 0.000 0.985 153 E CA 1.206 57.668 56.400 0.103 0.000 0.801 153 E CB -0.054 29.685 29.700 0.066 0.000 0.750 153 E HN 0.511 nan 8.360 nan 0.000 0.452 154 K N 0.161 120.635 120.400 0.124 0.000 2.148 154 K HA -0.134 4.186 4.320 0.000 0.000 0.204 154 K C 1.991 178.633 176.600 0.069 0.000 1.050 154 K CA 0.881 57.256 56.287 0.147 0.000 0.942 154 K CB -0.190 32.449 32.500 0.231 0.000 0.724 154 K HN 0.062 nan 8.250 nan 0.000 0.446 155 F N 2.407 122.185 119.950 -0.287 0.000 2.102 155 F HA -0.184 4.343 4.527 0.000 0.000 0.298 155 F C 1.792 177.378 175.800 -0.357 0.000 1.105 155 F CA 1.162 58.697 58.000 -0.774 0.000 1.239 155 F CB -0.203 38.528 39.000 -0.449 0.000 0.991 155 F HN -0.149 nan 8.300 nan 0.000 0.474 156 I N 0.387 120.817 120.570 -0.233 0.000 2.252 156 I HA -0.282 3.888 4.170 0.000 0.000 0.245 156 I C 2.458 178.520 176.117 -0.092 0.000 1.102 156 I CA 1.328 62.477 61.300 -0.252 0.000 1.385 156 I CB -1.611 36.297 38.000 -0.153 0.000 1.064 156 I HN 0.326 nan 8.210 nan 0.000 0.414 157 Q N 0.818 120.598 119.800 -0.032 0.000 2.077 157 Q HA -0.225 4.115 4.340 0.000 0.000 0.206 157 Q C 2.360 178.375 176.000 0.026 0.000 0.989 157 Q CA 2.424 58.234 55.803 0.011 0.000 0.853 157 Q CB -0.011 28.752 28.738 0.042 0.000 0.907 157 Q HN 0.508 nan 8.270 nan 0.000 0.418 158 A N -0.083 122.765 122.820 0.046 0.000 1.883 158 A HA -0.283 4.037 4.320 0.000 0.000 0.217 158 A C 1.768 179.378 177.584 0.045 0.000 1.186 158 A CA 2.010 54.106 52.037 0.099 0.000 0.624 158 A CB -1.139 18.007 19.000 0.244 0.000 0.822 158 A HN 0.674 nan 8.150 nan 0.000 0.444 159 H N -0.320 118.678 119.070 -0.120 0.000 2.319 159 H HA -0.141 4.415 4.556 0.000 0.000 0.297 159 H C 2.289 177.565 175.328 -0.086 0.000 1.097 159 H CA 2.399 58.363 56.048 -0.141 0.000 1.285 159 H CB -0.073 29.525 29.762 -0.273 0.000 1.368 159 H HN 0.470 nan 8.280 nan 0.000 0.495 160 R N 0.103 120.590 120.500 -0.023 0.000 2.062 160 R HA -0.077 4.263 4.340 0.000 0.000 0.231 160 R C 2.363 178.625 176.300 -0.063 0.000 1.136 160 R CA 1.563 57.631 56.100 -0.054 0.000 0.948 160 R CB -0.148 30.149 30.300 -0.004 0.000 0.845 160 R HN 0.552 nan 8.270 nan 0.000 0.430 161 E N -0.057 120.127 120.200 -0.027 0.000 2.331 161 E HA -0.138 4.213 4.350 0.000 0.000 0.199 161 E C 1.192 177.776 176.600 -0.027 0.000 1.008 161 E CA 1.535 57.926 56.400 -0.015 0.000 0.843 161 E CB 0.017 29.725 29.700 0.013 0.000 0.761 161 E HN 0.464 nan 8.360 nan 0.000 0.507 162 T N -2.601 111.921 114.554 -0.053 0.000 3.085 162 T HA 0.103 4.454 4.350 0.000 0.000 0.264 162 T C 0.295 174.935 174.700 -0.100 0.000 1.019 162 T CA 0.087 62.154 62.100 -0.056 0.000 0.910 162 T CB 0.143 68.993 68.868 -0.031 0.000 1.059 162 T HN -0.020 nan 8.240 nan 0.000 0.542 163 D N 1.205 121.522 120.400 -0.138 0.000 2.701 163 D HA -0.152 4.488 4.640 0.000 0.000 0.235 163 D C 0.304 176.480 176.300 -0.207 0.000 1.155 163 D CA 0.693 54.601 54.000 -0.153 0.000 0.649 163 D CB -1.284 39.466 40.800 -0.083 0.000 1.050 163 D HN 0.912 nan 8.370 nan 0.000 0.425 164 A N -0.040 122.558 122.820 -0.369 0.000 2.332 164 A HA 0.370 4.690 4.320 0.000 0.000 0.258 164 A C 1.229 178.613 177.584 -0.333 0.000 1.087 164 A CA 0.016 51.850 52.037 -0.339 0.000 0.802 164 A CB 0.630 19.427 19.000 -0.337 0.000 1.042 164 A HN 0.259 nan 8.150 nan 0.000 0.489 165 D N -0.311 120.045 120.400 -0.073 0.000 2.324 165 D HA 0.223 4.863 4.640 0.000 0.000 0.212 165 D C -0.007 176.411 176.300 0.197 0.000 0.984 165 D CA 1.258 55.287 54.000 0.048 0.000 0.885 165 D CB 0.296 41.127 40.800 0.051 0.000 0.996 165 D HN 0.481 nan 8.370 nan 0.000 0.505 166 I N 0.159 120.843 120.570 0.189 0.000 2.644 166 I HA 0.140 4.310 4.170 0.000 0.000 0.291 166 I C -0.948 175.299 176.117 0.218 0.000 1.180 166 I CA -0.332 61.086 61.300 0.197 0.000 1.040 166 I CB 2.739 40.790 38.000 0.085 0.000 1.255 166 I HN -0.378 nan 8.210 nan 0.000 0.422 167 T N 5.021 119.714 114.554 0.232 0.000 2.792 167 T HA 0.541 4.891 4.350 0.000 0.000 0.280 167 T C -0.488 174.417 174.700 0.341 0.000 0.990 167 T CA -0.501 61.750 62.100 0.252 0.000 0.960 167 T CB 1.967 70.936 68.868 0.170 0.000 0.939 167 T HN 0.178 nan 8.240 nan 0.000 0.439 168 V N 2.716 122.867 119.914 0.394 0.000 2.409 168 V HA 0.660 4.780 4.120 0.000 0.000 0.291 168 V C 0.496 176.796 176.094 0.343 0.000 1.020 168 V CA -1.225 61.332 62.300 0.428 0.000 0.848 168 V CB 1.293 33.326 31.823 0.351 0.000 0.990 168 V HN 1.104 nan 8.190 nan 0.000 0.430 169 A N 4.111 127.046 122.820 0.190 0.000 2.488 169 A HA 0.673 4.993 4.320 0.000 0.000 0.249 169 A C 0.528 178.067 177.584 -0.075 0.000 1.083 169 A CA 0.333 52.330 52.037 -0.067 0.000 0.768 169 A CB 0.198 18.930 19.000 -0.446 0.000 1.017 169 A HN 1.388 nan 8.150 nan 0.000 0.496 170 A N 3.328 126.115 122.820 -0.054 0.000 2.303 170 A HA 0.611 4.932 4.320 0.000 0.000 0.320 170 A C -0.367 177.112 177.584 -0.175 0.000 1.192 170 A CA -0.484 51.492 52.037 -0.102 0.000 0.821 170 A CB 0.649 19.615 19.000 -0.056 0.000 1.188 170 A HN 0.905 nan 8.150 nan 0.000 0.492 171 L N 5.299 126.366 121.223 -0.259 0.000 2.255 171 L HA 0.380 4.720 4.340 0.000 0.000 0.289 171 L C -2.110 174.633 176.870 -0.213 0.000 1.046 171 L CA -1.947 52.710 54.840 -0.304 0.000 0.816 171 L CB 1.890 43.629 42.059 -0.532 0.000 1.197 171 L HN 0.511 nan 8.230 nan 0.000 0.427 172 P HA 0.178 nan 4.420 nan 0.000 0.271 172 P C -0.885 176.355 177.300 -0.100 0.000 1.216 172 P CA -0.162 62.874 63.100 -0.107 0.000 0.776 172 P CB 1.468 33.110 31.700 -0.097 0.000 0.881 173 M N 1.762 121.339 119.600 -0.037 0.000 2.569 173 M HA 0.226 4.706 4.480 0.000 0.000 0.279 173 M C -0.657 175.706 176.300 0.106 0.000 1.253 173 M CA -0.754 54.532 55.300 -0.023 0.000 0.867 173 M CB 2.595 35.128 32.600 -0.112 0.000 1.727 173 M HN 0.339 nan 8.290 nan 0.000 0.467 174 D N 0.280 120.725 120.400 0.074 0.000 2.387 174 D HA 0.111 4.751 4.640 0.000 0.000 0.251 174 D C 0.460 176.819 176.300 0.097 0.000 1.141 174 D CA -0.342 53.740 54.000 0.137 0.000 0.987 174 D CB 0.672 41.515 40.800 0.072 0.000 1.116 174 D HN 0.745 nan 8.370 nan 0.000 0.491 175 E N -0.476 119.807 120.200 0.139 0.000 2.118 175 E HA -0.232 4.119 4.350 0.000 0.000 0.195 175 E C 1.340 177.850 176.600 -0.151 0.000 0.992 175 E CA 1.069 57.406 56.400 -0.105 0.000 0.804 175 E CB 0.191 29.956 29.700 0.107 0.000 0.741 175 E HN 0.263 nan 8.360 nan 0.000 0.458 176 K N 0.188 120.564 120.400 -0.039 0.000 2.097 176 K HA -0.164 4.157 4.320 0.000 0.000 0.206 176 K C 2.152 178.748 176.600 -0.007 0.000 1.049 176 K CA 1.224 57.500 56.287 -0.019 0.000 0.933 176 K CB -0.371 32.137 32.500 0.014 0.000 0.717 176 K HN 0.124 nan 8.250 nan 0.000 0.442 177 R N 0.383 120.885 120.500 0.003 0.000 2.189 177 R HA 0.157 4.497 4.340 0.000 0.000 0.203 177 R C 2.092 178.463 176.300 0.118 0.000 1.012 177 R CA 0.705 56.856 56.100 0.086 0.000 1.015 177 R CB -0.004 30.340 30.300 0.073 0.000 0.938 177 R HN 0.151 nan 8.270 nan 0.000 0.472 178 A N -0.179 122.592 122.820 -0.081 0.000 1.978 178 A HA -0.162 4.158 4.320 0.000 0.000 0.220 178 A C 2.069 179.625 177.584 -0.046 0.000 1.170 178 A CA 1.999 53.950 52.037 -0.144 0.000 0.636 178 A CB -0.929 17.721 19.000 -0.583 0.000 0.810 178 A HN 0.373 nan 8.150 nan 0.000 0.448 179 T N -0.931 113.566 114.554 -0.095 0.000 3.051 179 T HA 0.138 4.488 4.350 0.000 0.000 0.269 179 T C 1.450 176.160 174.700 0.016 0.000 1.127 179 T CA 1.352 63.419 62.100 -0.055 0.000 1.107 179 T CB -0.380 68.445 68.868 -0.072 0.000 0.898 179 T HN 0.509 nan 8.240 nan 0.000 0.517 180 A N -0.704 122.168 122.820 0.087 0.000 2.308 180 A HA 0.501 4.821 4.320 0.000 0.000 0.217 180 A C 0.211 177.658 177.584 -0.229 0.000 1.216 180 A CA -0.231 51.776 52.037 -0.049 0.000 0.864 180 A CB 0.032 18.981 19.000 -0.085 0.000 0.902 180 A HN 0.477 nan 8.150 nan 0.000 0.499 181 F N -1.620 118.328 119.950 -0.003 0.000 2.661 181 F HA 0.599 5.126 4.527 0.000 0.000 0.347 181 F C 0.992 176.815 175.800 0.037 0.000 1.086 181 F CA -0.893 57.123 58.000 0.026 0.000 1.016 181 F CB 1.190 40.205 39.000 0.026 0.000 1.368 181 F HN -0.023 nan 8.300 nan 0.000 0.505 182 G N 1.808 110.782 108.800 0.289 0.000 2.350 182 G HA2 0.562 4.522 3.960 0.000 0.000 0.306 182 G HA3 0.562 4.522 3.960 0.000 0.000 0.306 182 G C -0.866 174.173 174.900 0.231 0.000 1.094 182 G CA -0.372 44.864 45.100 0.226 0.000 0.953 182 G HN 0.402 nan 8.290 nan 0.000 0.420 183 L N 1.661 122.989 121.223 0.175 0.000 2.431 183 L HA 0.667 5.008 4.340 0.000 0.000 0.260 183 L C 0.472 177.345 176.870 0.005 0.000 1.098 183 L CA -0.747 54.158 54.840 0.108 0.000 0.800 183 L CB 1.512 43.643 42.059 0.121 0.000 1.210 183 L HN 0.317 nan 8.230 nan 0.000 0.465 184 M N 0.832 120.361 119.600 -0.118 0.000 2.501 184 M HA 0.456 4.937 4.480 0.000 0.000 0.293 184 M C -0.944 175.214 176.300 -0.235 0.000 1.192 184 M CA -0.565 54.493 55.300 -0.404 0.000 0.886 184 M CB 2.799 35.076 32.600 -0.538 0.000 1.710 184 M HN 0.365 nan 8.290 nan 0.000 0.457 185 K N 2.822 123.063 120.400 -0.265 0.000 2.207 185 K HA 0.814 5.134 4.320 0.000 0.000 0.255 185 K C -1.453 175.053 176.600 -0.157 0.000 0.941 185 K CA -0.632 55.563 56.287 -0.153 0.000 0.825 185 K CB 1.816 34.257 32.500 -0.099 0.000 1.119 185 K HN 0.783 nan 8.250 nan 0.000 0.430 186 I N -0.459 120.045 120.570 -0.111 0.000 2.957 186 I HA 0.516 4.686 4.170 0.000 0.000 0.310 186 I C -0.444 175.637 176.117 -0.060 0.000 1.063 186 I CA -0.999 60.251 61.300 -0.085 0.000 1.033 186 I CB 1.819 39.775 38.000 -0.073 0.000 1.230 186 I HN 0.599 nan 8.210 nan 0.000 0.447 187 D N 1.477 121.851 120.400 -0.042 0.000 2.507 187 D HA 0.097 4.738 4.640 0.000 0.000 0.280 187 D C 0.630 176.910 176.300 -0.034 0.000 1.219 187 D CA -0.267 53.713 54.000 -0.033 0.000 1.085 187 D CB 0.275 41.063 40.800 -0.020 0.000 1.134 187 D HN 0.792 nan 8.370 nan 0.000 0.583 188 E N -1.158 119.025 120.200 -0.028 0.000 2.482 188 E HA -0.095 4.255 4.350 0.000 0.000 0.196 188 E C 0.839 177.425 176.600 -0.023 0.000 1.047 188 E CA 0.584 56.966 56.400 -0.029 0.000 0.869 188 E CB -0.286 29.399 29.700 -0.026 0.000 0.836 188 E HN 0.530 nan 8.360 nan 0.000 0.520 189 E N 0.248 120.438 120.200 -0.017 0.000 2.472 189 E HA 0.089 4.439 4.350 0.000 0.000 0.196 189 E C 0.793 177.389 176.600 -0.006 0.000 1.033 189 E CA 0.288 56.682 56.400 -0.010 0.000 0.886 189 E CB 0.644 30.340 29.700 -0.006 0.000 0.944 189 E HN 0.493 nan 8.360 nan 0.000 0.492 190 G N 2.638 111.430 108.800 -0.013 0.000 2.141 190 G HA2 -0.310 3.650 3.960 0.000 0.000 0.231 190 G HA3 -0.310 3.650 3.960 0.000 0.000 0.231 190 G C 0.251 175.153 174.900 0.003 0.000 0.984 190 G CA 0.165 45.260 45.100 -0.009 0.000 0.660 190 G HN 0.215 nan 8.290 nan 0.000 0.525 191 R N 0.485 120.984 120.500 -0.002 0.000 2.298 191 R HA 0.566 4.906 4.340 0.000 0.000 0.310 191 R C 0.698 176.991 176.300 -0.011 0.000 1.068 191 R CA -0.681 55.423 56.100 0.007 0.000 0.957 191 R CB 0.146 30.450 30.300 0.008 0.000 1.003 191 R HN 0.260 nan 8.270 nan 0.000 0.454 192 I N 7.433 128.000 120.570 -0.005 0.000 2.517 192 I HA 0.005 4.175 4.170 0.000 0.000 0.285 192 I C 1.400 177.501 176.117 -0.027 0.000 1.106 192 I CA 0.255 61.517 61.300 -0.064 0.000 1.402 192 I CB 0.822 38.776 38.000 -0.076 0.000 1.399 192 I HN 0.744 nan 8.210 nan 0.000 0.535 193 I N 1.976 122.508 120.570 -0.063 0.000 4.181 193 I HA 0.433 4.604 4.170 0.000 0.000 0.331 193 I C 0.398 176.516 176.117 0.002 0.000 1.312 193 I CA 0.134 61.428 61.300 -0.010 0.000 1.146 193 I CB 0.537 38.529 38.000 -0.014 0.000 1.074 193 I HN 0.601 nan 8.210 nan 0.000 0.402 194 E N 0.892 121.042 120.200 -0.084 0.000 2.400 194 E HA 0.410 4.760 4.350 0.000 0.000 0.285 194 E C -1.941 174.552 176.600 -0.177 0.000 1.005 194 E CA -0.600 55.786 56.400 -0.023 0.000 0.816 194 E CB 2.018 31.720 29.700 0.002 0.000 1.220 194 E HN 0.069 nan 8.360 nan 0.000 0.426 195 F N 1.239 121.203 119.950 0.024 0.000 2.523 195 F HA 0.831 5.358 4.527 0.000 0.000 0.329 195 F C 0.171 175.992 175.800 0.034 0.000 1.061 195 F CA -0.364 57.654 58.000 0.030 0.000 0.967 195 F CB 2.369 41.378 39.000 0.016 0.000 1.218 195 F HN 0.477 nan 8.300 nan 0.000 0.480 196 A N 1.437 124.388 122.820 0.218 0.000 2.466 196 A HA 0.531 4.851 4.320 0.000 0.000 0.284 196 A C -1.387 176.280 177.584 0.139 0.000 1.049 196 A CA -0.820 51.303 52.037 0.142 0.000 0.760 196 A CB 0.834 19.893 19.000 0.098 0.000 1.274 196 A HN 0.539 nan 8.150 nan 0.000 0.412 197 E N 2.468 122.735 120.200 0.112 0.000 2.152 197 E HA 0.197 4.547 4.350 0.000 0.000 0.285 197 E C -0.367 176.270 176.600 0.062 0.000 1.043 197 E CA -0.281 56.175 56.400 0.093 0.000 0.839 197 E CB 0.735 30.475 29.700 0.067 0.000 1.069 197 E HN 0.614 nan 8.360 nan 0.000 0.399 198 K N 1.358 121.795 120.400 0.062 0.000 3.311 198 K HA -0.168 4.152 4.320 0.000 0.000 0.270 198 K C -2.111 174.501 176.600 0.020 0.000 0.927 198 K CA 0.239 56.544 56.287 0.032 0.000 0.706 198 K CB -1.347 31.154 32.500 0.002 0.000 1.418 198 K HN 0.444 nan 8.250 nan 0.000 0.459 199 P HA 0.031 nan 4.420 nan 0.000 0.272 199 P C -0.296 177.002 177.300 -0.003 0.000 1.230 199 P CA 0.164 63.276 63.100 0.020 0.000 0.788 199 P CB 0.828 32.551 31.700 0.039 0.000 0.949 200 Q N -0.630 119.173 119.800 0.004 0.000 2.587 200 Q HA 0.513 4.854 4.340 0.000 0.000 0.293 200 Q C 0.778 176.785 176.000 0.010 0.000 1.083 200 Q CA -0.606 55.194 55.803 -0.004 0.000 0.792 200 Q CB 1.449 30.186 28.738 -0.002 0.000 1.484 200 Q HN 0.685 nan 8.270 nan 0.000 0.446 201 G N 1.175 109.981 108.800 0.010 0.000 2.698 201 G HA2 -0.483 3.477 3.960 0.000 0.000 0.337 201 G HA3 -0.483 3.477 3.960 0.000 0.000 0.337 201 G C 0.862 175.783 174.900 0.036 0.000 1.286 201 G CA 1.277 46.390 45.100 0.022 0.000 1.000 201 G HN 0.811 nan 8.290 nan 0.000 0.547 202 E N -0.388 119.832 120.200 0.033 0.000 2.118 202 E HA -0.171 4.179 4.350 0.000 0.000 0.195 202 E C 2.553 179.182 176.600 0.048 0.000 0.992 202 E CA 2.047 58.471 56.400 0.038 0.000 0.804 202 E CB -0.205 29.512 29.700 0.030 0.000 0.741 202 E HN 0.608 nan 8.360 nan 0.000 0.458 203 Q N -0.083 119.745 119.800 0.046 0.000 2.123 203 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 203 Q C 2.283 178.331 176.000 0.079 0.000 0.966 203 Q CA 0.797 56.633 55.803 0.054 0.000 0.845 203 Q CB -0.050 28.715 28.738 0.046 0.000 0.907 203 Q HN 0.417 nan 8.270 nan 0.000 0.439 204 L N 0.624 121.889 121.223 0.071 0.000 1.970 204 L HA -0.275 4.065 4.340 0.000 0.000 0.212 204 L C 2.321 179.328 176.870 0.230 0.000 1.071 204 L CA 1.558 56.452 54.840 0.089 0.000 0.751 204 L CB -0.385 41.676 42.059 0.002 0.000 0.889 204 L HN 0.357 nan 8.230 nan 0.000 0.432 205 Q N -0.245 119.660 119.800 0.176 0.000 2.197 205 Q HA -0.193 4.147 4.340 0.000 0.000 0.207 205 Q C 1.991 178.067 176.000 0.127 0.000 0.984 205 Q CA 1.646 57.557 55.803 0.181 0.000 0.869 205 Q CB -0.517 28.283 28.738 0.104 0.000 0.906 205 Q HN 0.633 nan 8.270 nan 0.000 0.426 206 A N -0.532 122.349 122.820 0.102 0.000 2.235 206 A HA -0.001 4.320 4.320 0.000 0.000 0.208 206 A C 1.624 179.245 177.584 0.061 0.000 1.172 206 A CA 0.500 52.573 52.037 0.060 0.000 0.786 206 A CB -0.037 18.991 19.000 0.047 0.000 0.804 206 A HN 0.147 nan 8.150 nan 0.000 0.479 207 M N -0.280 119.404 119.600 0.140 0.000 2.428 207 M HA 0.182 4.663 4.480 0.000 0.000 0.239 207 M C 0.244 176.540 176.300 -0.007 0.000 1.121 207 M CA 0.235 55.617 55.300 0.136 0.000 1.019 207 M CB -0.692 32.062 32.600 0.256 0.000 1.485 207 M HN 0.192 nan 8.290 nan 0.000 0.484 208 K N 1.597 121.879 120.400 -0.197 0.000 2.485 208 K HA 0.215 4.535 4.320 0.000 0.000 0.277 208 K C -0.025 176.367 176.600 -0.347 0.000 0.990 208 K CA 0.074 55.983 56.287 -0.629 0.000 0.994 208 K CB 0.747 32.964 32.500 -0.470 0.000 0.906 208 K HN 0.101 nan 8.250 nan 0.000 0.488 209 V N -1.315 118.377 119.914 -0.369 0.000 3.160 209 V HA 0.376 4.496 4.120 0.000 0.000 0.310 209 V C -1.046 174.929 176.094 -0.199 0.000 1.181 209 V CA -1.076 61.094 62.300 -0.216 0.000 1.047 209 V CB 2.035 33.758 31.823 -0.166 0.000 1.068 209 V HN 0.659 nan 8.190 nan 0.000 0.441 210 D N 1.459 121.776 120.400 -0.140 0.000 2.485 210 D HA 0.301 4.941 4.640 0.000 0.000 0.221 210 D C 1.414 177.651 176.300 -0.106 0.000 1.112 210 D CA 0.426 54.356 54.000 -0.117 0.000 0.911 210 D CB 1.089 41.835 40.800 -0.090 0.000 1.019 210 D HN 0.921 nan 8.370 nan 0.000 0.516 211 T N -0.202 114.283 114.554 -0.114 0.000 3.077 211 T HA -0.148 4.202 4.350 0.000 0.000 0.269 211 T C 1.730 176.375 174.700 -0.092 0.000 1.146 211 T CA 0.956 62.994 62.100 -0.103 0.000 1.091 211 T CB -0.202 68.604 68.868 -0.103 0.000 0.892 211 T HN 0.239 nan 8.240 nan 0.000 0.533 212 T N 1.698 116.202 114.554 -0.083 0.000 2.821 212 T HA 0.123 4.473 4.350 0.000 0.000 0.267 212 T C 1.742 176.401 174.700 -0.069 0.000 1.046 212 T CA 0.895 62.952 62.100 -0.072 0.000 1.139 212 T CB -0.465 68.366 68.868 -0.062 0.000 0.871 212 T HN 0.490 nan 8.240 nan 0.000 0.454 213 I N 0.810 121.339 120.570 -0.068 0.000 2.335 213 I HA -0.120 4.050 4.170 0.000 0.000 0.251 213 I C 1.771 177.849 176.117 -0.064 0.000 1.129 213 I CA 1.157 62.422 61.300 -0.059 0.000 1.402 213 I CB -0.262 37.704 38.000 -0.056 0.000 1.069 213 I HN 0.232 nan 8.210 nan 0.000 0.424 214 L N 0.185 121.360 121.223 -0.081 0.000 2.599 214 L HA 0.161 4.501 4.340 0.000 0.000 0.230 214 L C 1.526 178.320 176.870 -0.126 0.000 1.141 214 L CA 0.704 55.483 54.840 -0.101 0.000 0.877 214 L CB -0.317 41.673 42.059 -0.115 0.000 1.009 214 L HN 0.543 nan 8.230 nan 0.000 0.447 215 G N -0.171 108.568 108.800 -0.102 0.000 2.184 215 G HA2 -0.211 3.749 3.960 0.000 0.000 0.206 215 G HA3 -0.211 3.749 3.960 0.000 0.000 0.206 215 G C 0.200 175.040 174.900 -0.101 0.000 0.995 215 G CA -0.543 44.496 45.100 -0.102 0.000 0.651 215 G HN 0.137 nan 8.290 nan 0.000 0.511 216 L N 2.340 123.502 121.223 -0.101 0.000 2.439 216 L HA 0.305 4.645 4.340 0.000 0.000 0.269 216 L C 0.753 177.579 176.870 -0.073 0.000 1.179 216 L CA -0.344 54.441 54.840 -0.092 0.000 0.828 216 L CB 0.433 42.437 42.059 -0.092 0.000 1.106 216 L HN 0.461 nan 8.230 nan 0.000 0.467 217 D N 1.710 122.071 120.400 -0.065 0.000 2.362 217 D HA -0.059 4.582 4.640 0.000 0.000 0.242 217 D C 0.376 176.647 176.300 -0.049 0.000 1.132 217 D CA -0.457 53.511 54.000 -0.053 0.000 0.907 217 D CB 0.862 41.634 40.800 -0.046 0.000 1.195 217 D HN 0.455 nan 8.370 nan 0.000 0.429 218 D N 0.700 121.074 120.400 -0.043 0.000 2.172 218 D HA -0.235 4.405 4.640 0.000 0.000 0.196 218 D C 1.580 177.857 176.300 -0.038 0.000 0.999 218 D CA 1.576 55.551 54.000 -0.041 0.000 0.856 218 D CB 0.055 40.834 40.800 -0.035 0.000 0.934 218 D HN 0.384 nan 8.370 nan 0.000 0.453 219 K N 1.540 121.920 120.400 -0.034 0.000 1.973 219 K HA -0.085 4.236 4.320 0.000 0.000 0.210 219 K C 2.141 178.723 176.600 -0.030 0.000 1.045 219 K CA 1.154 57.424 56.287 -0.028 0.000 0.937 219 K CB -0.203 32.282 32.500 -0.024 0.000 0.721 219 K HN -0.035 nan 8.250 nan 0.000 0.438 220 R N -0.064 120.415 120.500 -0.035 0.000 2.120 220 R HA -0.024 4.316 4.340 0.000 0.000 0.234 220 R C 2.310 178.583 176.300 -0.043 0.000 1.123 220 R CA 1.137 57.215 56.100 -0.037 0.000 0.975 220 R CB -0.480 29.794 30.300 -0.045 0.000 0.866 220 R HN 0.308 nan 8.270 nan 0.000 0.446 221 A N 2.307 125.096 122.820 -0.053 0.000 1.972 221 A HA -0.215 4.105 4.320 0.000 0.000 0.219 221 A C 2.004 179.550 177.584 -0.064 0.000 1.169 221 A CA 1.675 53.672 52.037 -0.065 0.000 0.635 221 A CB -0.299 18.658 19.000 -0.071 0.000 0.810 221 A HN 0.423 nan 8.150 nan 0.000 0.446 222 K N -0.258 120.112 120.400 -0.049 0.000 2.228 222 K HA 0.006 4.326 4.320 0.000 0.000 0.202 222 K C 1.392 177.978 176.600 -0.025 0.000 1.051 222 K CA 1.328 57.589 56.287 -0.043 0.000 0.960 222 K CB -0.148 32.332 32.500 -0.033 0.000 0.743 222 K HN 0.520 nan 8.250 nan 0.000 0.458 223 E N 0.641 120.831 120.200 -0.017 0.000 2.112 223 E HA 0.045 4.395 4.350 0.000 0.000 0.190 223 E C 0.321 176.932 176.600 0.019 0.000 0.979 223 E CA 0.701 57.102 56.400 0.003 0.000 0.814 223 E CB 0.120 29.820 29.700 -0.000 0.000 0.762 223 E HN 0.290 nan 8.360 nan 0.000 0.460 224 M N 1.657 121.257 119.600 0.001 0.000 2.065 224 M HA 0.207 4.687 4.480 0.000 0.000 0.308 224 M C -2.270 174.015 176.300 -0.025 0.000 0.939 224 M CA -1.450 53.862 55.300 0.020 0.000 0.890 224 M CB 2.038 34.635 32.600 -0.005 0.000 1.383 224 M HN -0.158 nan 8.290 nan 0.000 0.381 225 P HA 0.189 nan 4.420 nan 0.000 0.261 225 P C -0.668 176.307 177.300 -0.542 0.000 1.352 225 P CA 0.343 63.268 63.100 -0.293 0.000 0.891 225 P CB 0.028 31.504 31.700 -0.373 0.000 1.383 226 F N 1.212 121.124 119.950 -0.063 0.000 2.593 226 F HA 0.535 5.062 4.527 0.000 0.000 0.320 226 F C 0.625 176.367 175.800 -0.096 0.000 1.060 226 F CA -1.333 56.626 58.000 -0.069 0.000 0.940 226 F CB 1.896 40.864 39.000 -0.053 0.000 1.268 226 F HN -0.288 nan 8.300 nan 0.000 0.475 227 I N 0.366 120.993 120.570 0.094 0.000 2.569 227 I HA 0.916 5.086 4.170 0.000 0.000 0.290 227 I C -1.117 174.988 176.117 -0.021 0.000 1.088 227 I CA -0.917 60.373 61.300 -0.016 0.000 1.047 227 I CB 1.754 39.718 38.000 -0.061 0.000 1.237 227 I HN 0.595 nan 8.210 nan 0.000 0.421 228 A N 3.876 126.645 122.820 -0.085 0.000 2.311 228 A HA 0.824 5.144 4.320 0.000 0.000 0.334 228 A C 0.101 177.657 177.584 -0.048 0.000 1.139 228 A CA -0.530 51.478 52.037 -0.047 0.000 0.830 228 A CB 1.397 20.313 19.000 -0.140 0.000 1.234 228 A HN 0.925 nan 8.150 nan 0.000 0.483 229 S N 0.407 116.151 115.700 0.073 0.000 2.601 229 S HA 0.501 4.971 4.470 0.000 0.000 0.271 229 S C 0.287 174.871 174.600 -0.027 0.000 1.305 229 S CA -0.347 57.911 58.200 0.096 0.000 1.022 229 S CB 0.701 64.080 63.200 0.299 0.000 0.940 229 S HN 0.569 nan 8.310 nan 0.000 0.525 230 M N 1.386 120.875 119.600 -0.186 0.000 2.347 230 M HA 0.329 4.810 4.480 0.000 0.000 0.302 230 M C 1.293 177.427 176.300 -0.278 0.000 1.051 230 M CA 0.234 55.287 55.300 -0.412 0.000 0.988 230 M CB 0.463 32.431 32.600 -1.052 0.000 1.475 230 M HN 1.118 nan 8.290 nan 0.000 0.530 231 G N 2.051 110.708 108.800 -0.238 0.000 2.147 231 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 231 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 231 G C -0.107 174.288 174.900 -0.842 0.000 1.005 231 G CA -0.081 44.760 45.100 -0.433 0.000 0.713 231 G HN 0.494 nan 8.290 nan 0.000 0.515 232 I N 0.308 120.358 120.570 -0.867 0.000 2.410 232 I HA 0.580 4.750 4.170 0.000 0.000 0.286 232 I C -0.238 175.608 176.117 -0.452 0.000 1.009 232 I CA -1.156 59.773 61.300 -0.618 0.000 1.111 232 I CB 1.268 39.022 38.000 -0.409 0.000 1.262 232 I HN 0.139 nan 8.210 nan 0.000 0.443 233 Y N 4.279 124.595 120.300 0.027 0.000 2.581 233 Y HA 0.684 5.235 4.550 0.000 0.000 0.345 233 Y C -0.536 175.279 175.900 -0.141 0.000 1.036 233 Y CA -1.407 56.714 58.100 0.036 0.000 1.042 233 Y CB 1.823 40.192 38.460 -0.153 0.000 1.289 233 Y HN 0.037 nan 8.280 nan 0.000 0.471 234 V N 3.729 123.544 119.914 -0.165 0.000 2.448 234 V HA 0.496 4.616 4.120 0.000 0.000 0.295 234 V C -0.511 175.326 176.094 -0.429 0.000 1.025 234 V CA -0.668 61.305 62.300 -0.545 0.000 0.859 234 V CB 1.506 32.687 31.823 -1.069 0.000 0.988 234 V HN 0.582 nan 8.190 nan 0.000 0.431 235 I N 2.894 123.276 120.570 -0.314 0.000 2.499 235 I HA 0.346 4.517 4.170 0.000 0.000 0.288 235 I C 0.352 176.392 176.117 -0.128 0.000 1.048 235 I CA -0.314 60.916 61.300 -0.118 0.000 1.062 235 I CB 2.311 40.328 38.000 0.027 0.000 1.238 235 I HN 0.512 nan 8.210 nan 0.000 0.426 236 S N 4.933 120.634 115.700 0.003 0.000 2.558 236 S HA -0.007 4.464 4.470 0.000 0.000 0.288 236 S C 1.263 175.792 174.600 -0.119 0.000 1.318 236 S CA -0.184 58.008 58.200 -0.014 0.000 1.056 236 S CB 0.923 64.179 63.200 0.093 0.000 0.853 236 S HN 0.665 nan 8.310 nan 0.000 0.505 237 K N 2.284 122.510 120.400 -0.289 0.000 2.001 237 K HA -0.229 4.091 4.320 0.000 0.000 0.214 237 K C 1.040 177.612 176.600 -0.048 0.000 1.050 237 K CA 2.028 58.074 56.287 -0.403 0.000 0.934 237 K CB -0.198 32.058 32.500 -0.407 0.000 0.718 237 K HN 0.607 nan 8.250 nan 0.000 0.443 238 D N 0.303 120.696 120.400 -0.011 0.000 2.123 238 D HA -0.150 4.490 4.640 0.000 0.000 0.196 238 D C 2.040 178.390 176.300 0.083 0.000 0.992 238 D CA 1.141 55.171 54.000 0.050 0.000 0.833 238 D CB -0.289 40.531 40.800 0.033 0.000 0.954 238 D HN 0.093 nan 8.370 nan 0.000 0.455 239 V N 1.303 121.263 119.914 0.076 0.000 2.332 239 V HA -0.286 3.834 4.120 0.000 0.000 0.248 239 V C 2.465 178.648 176.094 0.148 0.000 1.055 239 V CA 1.603 63.964 62.300 0.101 0.000 1.038 239 V CB -0.429 31.451 31.823 0.095 0.000 0.651 239 V HN 0.138 nan 8.190 nan 0.000 0.450 240 M N -0.356 119.362 119.600 0.197 0.000 2.117 240 M HA -0.136 4.344 4.480 0.000 0.000 0.262 240 M C 1.852 178.293 176.300 0.236 0.000 1.065 240 M CA 1.912 57.377 55.300 0.275 0.000 1.114 240 M CB -0.485 32.388 32.600 0.456 0.000 1.361 240 M HN 0.296 nan 8.290 nan 0.000 0.408 241 L N 0.179 121.535 121.223 0.222 0.000 2.027 241 L HA -0.156 4.185 4.340 0.000 0.000 0.206 241 L C 1.978 178.923 176.870 0.126 0.000 1.074 241 L CA 2.186 57.130 54.840 0.173 0.000 0.745 241 L CB -1.325 40.831 42.059 0.161 0.000 0.898 241 L HN 0.593 nan 8.230 nan 0.000 0.433 242 N N -0.991 117.777 118.700 0.113 0.000 2.069 242 N HA -0.232 4.508 4.740 0.000 0.000 0.191 242 N C 1.951 177.517 175.510 0.094 0.000 1.031 242 N CA 1.628 54.728 53.050 0.083 0.000 0.852 242 N CB -0.107 38.425 38.487 0.075 0.000 1.018 242 N HN 0.395 nan 8.380 nan 0.000 0.423 243 L N 0.137 121.448 121.223 0.147 0.000 2.027 243 L HA -0.138 4.202 4.340 0.000 0.000 0.206 243 L C 2.116 179.107 176.870 0.201 0.000 1.074 243 L CA 0.612 55.586 54.840 0.222 0.000 0.745 243 L CB -0.267 41.934 42.059 0.236 0.000 0.898 243 L HN 0.230 nan 8.230 nan 0.000 0.433 244 L N -0.655 120.648 121.223 0.134 0.000 2.156 244 L HA -0.087 4.254 4.340 0.000 0.000 0.208 244 L C 2.557 179.464 176.870 0.063 0.000 1.095 244 L CA 1.538 56.423 54.840 0.076 0.000 0.770 244 L CB -0.699 41.394 42.059 0.056 0.000 0.914 244 L HN 0.152 nan 8.230 nan 0.000 0.439 245 R N -1.114 119.426 120.500 0.066 0.000 2.087 245 R HA -0.017 4.324 4.340 0.000 0.000 0.213 245 R C 1.555 177.863 176.300 0.013 0.000 1.137 245 R CA 0.940 57.065 56.100 0.042 0.000 1.022 245 R CB 0.192 30.525 30.300 0.054 0.000 0.920 245 R HN 0.264 nan 8.270 nan 0.000 0.451 246 D N 0.410 120.813 120.400 0.004 0.000 2.214 246 D HA -0.057 4.584 4.640 0.000 0.000 0.217 246 D C 1.748 177.974 176.300 -0.124 0.000 0.973 246 D CA 0.746 54.721 54.000 -0.041 0.000 0.880 246 D CB 0.039 40.824 40.800 -0.026 0.000 1.031 246 D HN 0.016 nan 8.370 nan 0.000 0.468 247 K N 0.327 120.629 120.400 -0.164 0.000 2.025 247 K HA 0.000 4.321 4.320 0.000 0.000 0.207 247 K C 0.638 176.700 176.600 -0.896 0.000 1.049 247 K CA 0.690 56.677 56.287 -0.499 0.000 0.933 247 K CB -0.215 32.047 32.500 -0.396 0.000 0.714 247 K HN 0.209 nan 8.250 nan 0.000 0.438 248 F N 1.125 121.058 119.950 -0.027 0.000 2.593 248 F HA 0.229 4.757 4.527 0.000 0.000 0.336 248 F C -1.801 173.967 175.800 -0.052 0.000 1.491 248 F CA -1.835 56.138 58.000 -0.045 0.000 1.114 248 F CB 1.267 40.228 39.000 -0.066 0.000 1.468 248 F HN -0.084 nan 8.300 nan 0.000 0.579 249 P HA -0.083 nan 4.420 nan 0.000 0.229 249 P C 1.109 178.423 177.300 0.023 0.000 1.150 249 P CA 1.187 64.301 63.100 0.023 0.000 0.765 249 P CB 0.356 32.053 31.700 -0.006 0.000 0.783 250 G N -1.374 107.452 108.800 0.043 0.000 3.839 250 G HA2 0.461 4.422 3.960 0.000 0.000 0.286 250 G HA3 0.461 4.422 3.960 0.000 0.000 0.286 250 G C 0.319 175.230 174.900 0.018 0.000 1.005 250 G CA 0.140 45.255 45.100 0.025 0.000 0.824 250 G HN 0.414 nan 8.290 nan 0.000 0.489 251 A N 0.215 123.043 122.820 0.014 0.000 2.322 251 A HA 0.590 4.910 4.320 0.000 0.000 0.269 251 A C 0.946 178.469 177.584 -0.103 0.000 1.094 251 A CA -0.423 51.582 52.037 -0.053 0.000 0.807 251 A CB 0.755 19.686 19.000 -0.116 0.000 1.047 251 A HN 0.158 nan 8.150 nan 0.000 0.487 252 N N -0.142 118.494 118.700 -0.106 0.000 2.571 252 N HA 0.058 4.798 4.740 0.000 0.000 0.195 252 N C -0.470 174.957 175.510 -0.138 0.000 1.040 252 N CA 0.644 53.636 53.050 -0.096 0.000 0.890 252 N CB 0.051 38.515 38.487 -0.039 0.000 1.233 252 N HN 0.845 nan 8.380 nan 0.000 0.435 253 D N -1.138 119.186 120.400 -0.127 0.000 2.248 253 D HA 0.309 4.949 4.640 0.000 0.000 0.246 253 D C 0.332 176.549 176.300 -0.139 0.000 1.027 253 D CA -0.495 53.455 54.000 -0.084 0.000 0.853 253 D CB 1.429 42.223 40.800 -0.010 0.000 1.243 253 D HN -0.175 nan 8.370 nan 0.000 0.462 254 F N 1.477 121.380 119.950 -0.079 0.000 2.098 254 F HA 0.106 4.633 4.527 0.000 0.000 0.294 254 F C 2.493 178.125 175.800 -0.280 0.000 1.107 254 F CA 1.165 59.052 58.000 -0.189 0.000 1.234 254 F CB -0.350 38.564 39.000 -0.142 0.000 1.002 254 F HN 0.595 nan 8.300 nan 0.000 0.472 255 G N -0.441 108.425 108.800 0.111 0.000 2.476 255 G HA2 -0.322 3.638 3.960 0.000 0.000 0.218 255 G HA3 -0.322 3.638 3.960 0.000 0.000 0.218 255 G C 1.679 176.486 174.900 -0.154 0.000 1.164 255 G CA 1.483 46.589 45.100 0.011 0.000 0.768 255 G HN 0.451 nan 8.290 nan 0.000 0.560 256 S N -0.923 114.715 115.700 -0.104 0.000 2.492 256 S HA 0.254 4.724 4.470 0.000 0.000 0.218 256 S C 1.730 176.205 174.600 -0.209 0.000 1.016 256 S CA 0.991 59.112 58.200 -0.131 0.000 0.916 256 S CB 0.368 63.540 63.200 -0.046 0.000 0.791 256 S HN 0.531 nan 8.310 nan 0.000 0.513 257 E N 0.660 120.709 120.200 -0.251 0.000 2.419 257 E HA 0.200 4.550 4.350 0.000 0.000 0.197 257 E C 1.909 178.177 176.600 -0.553 0.000 0.920 257 E CA 0.462 56.666 56.400 -0.327 0.000 1.085 257 E CB -0.005 29.550 29.700 -0.241 0.000 1.084 257 E HN 0.197 nan 8.360 nan 0.000 0.490 258 V N 1.965 121.568 119.914 -0.519 0.000 2.261 258 V HA -0.241 3.879 4.120 0.000 0.000 0.246 258 V C 2.299 178.079 176.094 -0.522 0.000 1.047 258 V CA 1.660 63.592 62.300 -0.613 0.000 1.015 258 V CB -0.427 31.177 31.823 -0.364 0.000 0.642 258 V HN 0.249 nan 8.190 nan 0.000 0.446 259 I N -0.039 120.282 120.570 -0.415 0.000 2.315 259 I HA -0.113 4.058 4.170 0.000 0.000 0.248 259 I C -0.364 175.440 176.117 -0.522 0.000 1.117 259 I CA 1.414 62.464 61.300 -0.417 0.000 1.404 259 I CB -1.212 36.496 38.000 -0.487 0.000 1.071 259 I HN 0.370 nan 8.210 nan 0.000 0.419 260 P HA -0.049 nan 4.420 nan 0.000 0.222 260 P C 1.582 178.731 177.300 -0.251 0.000 1.153 260 P CA 1.195 63.951 63.100 -0.573 0.000 0.798 260 P CB -0.081 31.277 31.700 -0.571 0.000 0.796 261 G N 0.355 108.895 108.800 -0.434 0.000 2.394 261 G HA2 -0.196 3.764 3.960 0.000 0.000 0.215 261 G HA3 -0.196 3.764 3.960 0.000 0.000 0.215 261 G C 1.624 176.520 174.900 -0.006 0.000 1.165 261 G CA 0.794 45.648 45.100 -0.409 0.000 0.784 261 G HN 0.268 nan 8.290 nan 0.000 0.535 262 A N 0.470 123.238 122.820 -0.088 0.000 1.933 262 A HA -0.014 4.306 4.320 0.000 0.000 0.218 262 A C 2.531 180.176 177.584 0.103 0.000 1.175 262 A CA 2.457 54.551 52.037 0.096 0.000 0.628 262 A CB -0.879 18.145 19.000 0.040 0.000 0.814 262 A HN 0.300 nan 8.150 nan 0.000 0.444 263 T N -0.119 114.485 114.554 0.084 0.000 2.737 263 T HA -0.094 4.257 4.350 0.000 0.000 0.265 263 T C 2.200 176.972 174.700 0.119 0.000 1.038 263 T CA 1.601 63.782 62.100 0.135 0.000 1.144 263 T CB -0.353 68.663 68.868 0.247 0.000 0.866 263 T HN 0.446 nan 8.240 nan 0.000 0.434 264 S N 1.357 117.127 115.700 0.117 0.000 2.400 264 S HA 0.068 4.538 4.470 0.000 0.000 0.232 264 S C 1.588 176.256 174.600 0.113 0.000 1.025 264 S CA 0.733 59.001 58.200 0.114 0.000 0.993 264 S CB -0.386 62.886 63.200 0.119 0.000 0.808 264 S HN 0.403 nan 8.310 nan 0.000 0.478 265 L N 0.953 122.260 121.223 0.139 0.000 2.645 265 L HA 0.205 4.545 4.340 0.000 0.000 0.234 265 L C 1.617 178.536 176.870 0.082 0.000 1.165 265 L CA 0.204 55.112 54.840 0.113 0.000 0.944 265 L CB -0.815 41.331 42.059 0.144 0.000 1.149 265 L HN 0.466 nan 8.230 nan 0.000 0.446 266 G N 0.006 108.852 108.800 0.077 0.000 2.175 266 G HA2 -0.330 3.630 3.960 0.000 0.000 0.265 266 G HA3 -0.330 3.630 3.960 0.000 0.000 0.265 266 G C 0.455 175.389 174.900 0.057 0.000 0.979 266 G CA 0.228 45.364 45.100 0.059 0.000 0.663 266 G HN 0.332 nan 8.290 nan 0.000 0.533 267 M N -0.690 118.952 119.600 0.070 0.000 2.198 267 M HA 0.237 4.717 4.480 0.000 0.000 0.315 267 M C 1.096 177.429 176.300 0.054 0.000 1.134 267 M CA -0.235 55.101 55.300 0.061 0.000 1.171 267 M CB 0.486 33.132 32.600 0.076 0.000 1.413 267 M HN 0.183 nan 8.290 nan 0.000 0.467 268 R N 1.550 122.072 120.500 0.036 0.000 2.325 268 R HA 0.323 4.663 4.340 0.000 0.000 0.323 268 R C -1.704 174.622 176.300 0.043 0.000 1.177 268 R CA -0.175 55.940 56.100 0.026 0.000 1.018 268 R CB -0.051 30.244 30.300 -0.007 0.000 1.070 268 R HN 0.503 nan 8.270 nan 0.000 0.495 269 V N 4.757 124.714 119.914 0.071 0.000 2.347 269 V HA 0.232 4.352 4.120 0.000 0.000 0.280 269 V C -0.217 175.935 176.094 0.096 0.000 1.021 269 V CA -0.660 61.704 62.300 0.106 0.000 0.847 269 V CB 1.277 33.193 31.823 0.156 0.000 0.990 269 V HN 0.649 nan 8.190 nan 0.000 0.444 270 Q N 3.232 123.096 119.800 0.107 0.000 2.309 270 Q HA 0.783 5.123 4.340 0.000 0.000 0.264 270 Q C -0.358 175.739 176.000 0.161 0.000 1.008 270 Q CA -0.209 55.658 55.803 0.106 0.000 0.853 270 Q CB 1.997 30.788 28.738 0.087 0.000 1.314 270 Q HN 0.925 nan 8.270 nan 0.000 0.448 271 A N 2.952 125.853 122.820 0.134 0.000 2.295 271 A HA 0.631 4.951 4.320 0.000 0.000 0.318 271 A C -1.732 175.994 177.584 0.237 0.000 1.134 271 A CA -0.342 51.790 52.037 0.157 0.000 0.827 271 A CB 0.559 19.591 19.000 0.054 0.000 1.136 271 A HN 0.744 nan 8.150 nan 0.000 0.493 272 Y N 2.546 122.914 120.300 0.113 0.000 2.331 272 Y HA 0.382 4.932 4.550 0.000 0.000 0.326 272 Y C -0.572 175.337 175.900 0.015 0.000 1.020 272 Y CA -0.893 57.276 58.100 0.115 0.000 1.136 272 Y CB 1.271 39.907 38.460 0.293 0.000 1.157 272 Y HN 0.677 nan 8.280 nan 0.000 0.444 273 L N 7.824 128.813 121.223 -0.390 0.000 2.534 273 L HA 0.033 4.373 4.340 0.000 0.000 0.271 273 L C -1.198 175.482 176.870 -0.317 0.000 1.178 273 L CA 0.429 55.075 54.840 -0.323 0.000 0.907 273 L CB -0.097 41.771 42.059 -0.319 0.000 1.164 273 L HN 0.895 nan 8.230 nan 0.000 0.482 274 Y N 5.489 125.628 120.300 -0.268 0.000 2.385 274 Y HA 0.192 4.742 4.550 0.000 0.000 0.341 274 Y C -0.117 175.662 175.900 -0.202 0.000 0.965 274 Y CA -0.446 57.516 58.100 -0.231 0.000 1.180 274 Y CB 0.826 39.084 38.460 -0.337 0.000 1.139 274 Y HN 0.594 nan 8.280 nan 0.000 0.502 275 D N 5.004 124.950 120.400 -0.757 0.000 2.551 275 D HA 0.417 5.057 4.640 0.000 0.000 0.294 275 D C -0.354 175.603 176.300 -0.572 0.000 1.201 275 D CA 0.087 53.771 54.000 -0.527 0.000 0.941 275 D CB 0.127 40.739 40.800 -0.313 0.000 0.995 275 D HN 0.837 nan 8.370 nan 0.000 0.502 276 G N 0.424 108.817 108.800 -0.680 0.000 2.663 276 G HA2 0.268 4.228 3.960 0.000 0.000 0.299 276 G HA3 0.268 4.228 3.960 0.000 0.000 0.299 276 G C -1.514 173.527 174.900 0.235 0.000 1.372 276 G CA -0.930 44.040 45.100 -0.217 0.000 0.781 276 G HN 0.135 nan 8.290 nan 0.000 0.491 277 Y N 0.449 120.888 120.300 0.231 0.000 2.702 277 Y HA 0.427 4.977 4.550 0.000 0.000 0.336 277 Y C -0.250 175.956 175.900 0.509 0.000 1.235 277 Y CA 0.119 58.404 58.100 0.308 0.000 1.492 277 Y CB 0.614 39.241 38.460 0.279 0.000 1.308 277 Y HN 0.583 nan 8.280 nan 0.000 0.589 278 W N 8.422 129.439 121.300 -0.471 0.000 3.473 278 W HA 0.308 4.968 4.660 0.000 0.000 0.324 278 W C -2.201 174.003 176.519 -0.526 0.000 1.099 278 W CA -0.627 56.501 57.345 -0.361 0.000 1.277 278 W CB 1.307 30.644 29.460 -0.205 0.000 1.216 278 W HN 0.594 nan 8.180 nan 0.000 0.423 279 E N 3.738 123.452 120.200 -0.809 0.000 2.256 279 E HA 0.146 4.496 4.350 0.000 0.000 0.268 279 E C -0.836 175.471 176.600 -0.488 0.000 0.877 279 E CA -0.527 55.533 56.400 -0.566 0.000 0.757 279 E CB 2.605 32.059 29.700 -0.410 0.000 1.183 279 E HN 0.452 nan 8.360 nan 0.000 0.418 280 D N 2.791 123.014 120.400 -0.294 0.000 2.345 280 D HA 0.183 4.824 4.640 0.000 0.000 0.247 280 D C 0.403 176.578 176.300 -0.210 0.000 1.108 280 D CA -0.121 53.712 54.000 -0.279 0.000 0.894 280 D CB 0.718 41.477 40.800 -0.069 0.000 1.203 280 D HN 0.483 nan 8.370 nan 0.000 0.430 281 I N 0.747 121.166 120.570 -0.252 0.000 3.007 281 I HA 0.387 4.558 4.170 0.000 0.000 0.333 281 I C 0.683 176.795 176.117 -0.008 0.000 1.489 281 I CA -0.766 60.517 61.300 -0.028 0.000 0.906 281 I CB 0.802 38.825 38.000 0.039 0.000 1.702 281 I HN 0.313 nan 8.210 nan 0.000 0.548 282 G N 1.347 110.090 108.800 -0.096 0.000 3.088 282 G HA2 0.235 4.195 3.960 0.000 0.000 0.217 282 G HA3 0.235 4.195 3.960 0.000 0.000 0.217 282 G C 0.495 175.376 174.900 -0.032 0.000 1.159 282 G CA 0.766 45.813 45.100 -0.087 0.000 0.760 282 G HN 0.524 nan 8.290 nan 0.000 0.550 283 T N -2.523 112.041 114.554 0.017 0.000 2.906 283 T HA 0.496 4.847 4.350 0.000 0.000 0.295 283 T C 1.212 175.966 174.700 0.090 0.000 1.061 283 T CA -0.783 61.339 62.100 0.037 0.000 1.000 283 T CB 1.871 70.766 68.868 0.044 0.000 1.103 283 T HN -0.219 nan 8.240 nan 0.000 0.486 284 I N 0.945 121.563 120.570 0.080 0.000 2.113 284 I HA -0.195 3.976 4.170 0.000 0.000 0.242 284 I C 2.534 178.784 176.117 0.220 0.000 1.064 284 I CA 2.007 63.385 61.300 0.131 0.000 1.320 284 I CB -0.920 37.146 38.000 0.111 0.000 1.028 284 I HN 0.965 nan 8.210 nan 0.000 0.406 285 E N 0.668 120.958 120.200 0.150 0.000 2.051 285 E HA -0.208 4.142 4.350 0.000 0.000 0.192 285 E C 2.271 179.004 176.600 0.222 0.000 0.991 285 E CA 1.495 57.990 56.400 0.159 0.000 0.799 285 E CB 0.047 29.802 29.700 0.092 0.000 0.748 285 E HN 0.461 nan 8.360 nan 0.000 0.449 286 A N 0.475 123.398 122.820 0.172 0.000 1.898 286 A HA -0.143 4.177 4.320 0.000 0.000 0.216 286 A C 1.979 179.670 177.584 0.179 0.000 1.181 286 A CA 1.117 53.240 52.037 0.143 0.000 0.620 286 A CB -0.830 18.219 19.000 0.081 0.000 0.819 286 A HN 0.509 nan 8.150 nan 0.000 0.442 287 F N -0.586 119.398 119.950 0.056 0.000 2.095 287 F HA -0.238 4.289 4.527 0.000 0.000 0.298 287 F C 2.152 178.005 175.800 0.089 0.000 1.104 287 F CA 2.152 60.180 58.000 0.047 0.000 1.232 287 F CB -0.615 38.409 39.000 0.040 0.000 0.987 287 F HN 0.389 nan 8.300 nan 0.000 0.475 288 Y N 1.585 121.996 120.300 0.185 0.000 2.097 288 Y HA -0.320 4.230 4.550 0.000 0.000 0.282 288 Y C 2.371 178.254 175.900 -0.029 0.000 1.152 288 Y CA 2.347 60.482 58.100 0.059 0.000 1.136 288 Y CB -0.934 37.600 38.460 0.125 0.000 0.975 288 Y HN 0.074 nan 8.280 nan 0.000 0.498 289 N N 0.557 119.343 118.700 0.144 0.000 2.120 289 N HA -0.182 4.558 4.740 0.000 0.000 0.188 289 N C 1.963 177.439 175.510 -0.056 0.000 1.024 289 N CA 1.499 54.568 53.050 0.032 0.000 0.852 289 N CB -0.771 37.812 38.487 0.160 0.000 1.003 289 N HN 0.572 nan 8.380 nan 0.000 0.424 290 A N 1.452 124.244 122.820 -0.048 0.000 1.898 290 A HA -0.097 4.223 4.320 0.000 0.000 0.216 290 A C 2.110 179.627 177.584 -0.111 0.000 1.181 290 A CA 1.106 53.121 52.037 -0.037 0.000 0.620 290 A CB -0.496 18.478 19.000 -0.044 0.000 0.819 290 A HN 0.279 nan 8.150 nan 0.000 0.442 291 N N 0.168 118.697 118.700 -0.286 0.000 2.084 291 N HA -0.103 4.637 4.740 0.000 0.000 0.190 291 N C 1.626 176.980 175.510 -0.261 0.000 1.030 291 N CA 1.566 54.425 53.050 -0.318 0.000 0.849 291 N CB -0.322 37.861 38.487 -0.508 0.000 1.012 291 N HN 0.463 nan 8.380 nan 0.000 0.423 292 L N 0.525 121.533 121.223 -0.359 0.000 2.456 292 L HA -0.020 4.320 4.340 0.000 0.000 0.224 292 L C 2.294 179.067 176.870 -0.161 0.000 1.148 292 L CA 0.355 54.971 54.840 -0.373 0.000 0.825 292 L CB -0.653 41.036 42.059 -0.616 0.000 0.937 292 L HN 0.198 nan 8.230 nan 0.000 0.450 293 G N 1.325 110.080 108.800 -0.075 0.000 2.509 293 G HA2 -0.197 3.763 3.960 0.000 0.000 0.218 293 G HA3 -0.197 3.763 3.960 0.000 0.000 0.218 293 G C 1.451 176.366 174.900 0.024 0.000 1.124 293 G CA 0.450 45.563 45.100 0.022 0.000 0.776 293 G HN 0.613 nan 8.290 nan 0.000 0.547 294 I N -0.376 120.198 120.570 0.007 0.000 3.564 294 I HA 0.125 4.295 4.170 0.000 0.000 0.294 294 I C 2.121 178.234 176.117 -0.008 0.000 1.289 294 I CA 1.233 62.547 61.300 0.024 0.000 1.325 294 I CB -0.254 37.785 38.000 0.065 0.000 1.039 294 I HN 0.059 nan 8.210 nan 0.000 0.474 295 T N -1.664 112.878 114.554 -0.019 0.000 3.051 295 T HA 0.038 4.388 4.350 0.000 0.000 0.255 295 T C 1.047 175.759 174.700 0.020 0.000 1.085 295 T CA -0.117 61.977 62.100 -0.009 0.000 1.109 295 T CB -0.191 68.670 68.868 -0.012 0.000 0.921 295 T HN 0.402 nan 8.240 nan 0.000 0.488 296 K N 3.181 123.600 120.400 0.032 0.000 2.511 296 K HA -0.010 4.310 4.320 0.000 0.000 0.280 296 K C 0.176 176.782 176.600 0.010 0.000 1.008 296 K CA 0.004 56.309 56.287 0.029 0.000 1.050 296 K CB 0.351 32.872 32.500 0.035 0.000 0.889 296 K HN 0.546 nan 8.250 nan 0.000 0.484 297 K N 4.010 124.415 120.400 0.008 0.000 2.098 297 K HA 0.318 4.638 4.320 0.000 0.000 0.258 297 K C -2.086 174.516 176.600 0.002 0.000 0.973 297 K CA -1.637 54.652 56.287 0.002 0.000 0.898 297 K CB 1.307 33.809 32.500 0.003 0.000 1.057 297 K HN 0.306 nan 8.250 nan 0.000 0.447 298 P HA -0.018 nan 4.420 nan 0.000 0.222 298 P C -0.625 176.668 177.300 -0.012 0.000 1.153 298 P CA 0.324 63.420 63.100 -0.006 0.000 0.798 298 P CB 0.353 32.049 31.700 -0.006 0.000 0.796 299 V N -1.252 118.652 119.914 -0.017 0.000 3.007 299 V HA 0.380 4.500 4.120 0.000 0.000 0.311 299 V C -2.648 173.424 176.094 -0.037 0.000 1.120 299 V CA -2.423 59.859 62.300 -0.030 0.000 0.980 299 V CB 2.075 33.872 31.823 -0.043 0.000 1.033 299 V HN -0.243 nan 8.190 nan 0.000 0.429 300 P HA 0.171 nan 4.420 nan 0.000 0.271 300 P C -0.030 177.204 177.300 -0.112 0.000 1.233 300 P CA -0.131 62.937 63.100 -0.054 0.000 0.789 300 P CB 0.557 32.234 31.700 -0.038 0.000 0.951 301 D N 0.278 120.607 120.400 -0.119 0.000 2.117 301 D HA -0.117 4.524 4.640 0.000 0.000 0.197 301 D C 0.441 176.380 176.300 -0.603 0.000 0.987 301 D CA 1.602 55.471 54.000 -0.219 0.000 0.829 301 D CB -0.397 40.377 40.800 -0.043 0.000 0.961 301 D HN 0.300 nan 8.370 nan 0.000 0.460 302 F N 0.245 119.728 119.950 -0.778 0.000 2.520 302 F HA 0.444 4.971 4.527 0.000 0.000 0.322 302 F C -0.689 174.914 175.800 -0.328 0.000 1.103 302 F CA -1.205 56.350 58.000 -0.743 0.000 0.926 302 F CB 2.197 40.717 39.000 -0.800 0.000 1.154 302 F HN -0.360 nan 8.300 nan 0.000 0.453 303 S N 5.388 120.377 115.700 -1.185 0.000 2.498 303 S HA 0.378 4.848 4.470 0.000 0.000 0.317 303 S C 0.569 174.564 174.600 -1.008 0.000 1.090 303 S CA -0.480 57.284 58.200 -0.727 0.000 1.089 303 S CB 0.287 63.227 63.200 -0.432 0.000 0.997 303 S HN 0.616 nan 8.310 nan 0.000 0.470 304 F N 3.230 122.857 119.950 -0.538 0.000 2.146 304 F HA 0.100 4.627 4.527 0.000 0.000 0.298 304 F C 1.005 176.645 175.800 -0.268 0.000 1.096 304 F CA 0.775 58.524 58.000 -0.417 0.000 1.275 304 F CB -0.267 38.468 39.000 -0.441 0.000 1.008 304 F HN 0.658 nan 8.300 nan 0.000 0.480 305 Y N 1.102 121.368 120.300 -0.057 0.000 2.301 305 Y HA 0.348 4.899 4.550 0.000 0.000 0.328 305 Y C -0.286 175.524 175.900 -0.151 0.000 1.242 305 Y CA -0.847 57.218 58.100 -0.058 0.000 1.323 305 Y CB 0.549 39.010 38.460 0.001 0.000 1.266 305 Y HN -0.021 nan 8.280 nan 0.000 0.527 306 D N 4.700 124.415 120.400 -1.143 0.000 2.878 306 D HA 0.168 4.809 4.640 0.000 0.000 0.211 306 D C 0.170 175.913 176.300 -0.928 0.000 1.271 306 D CA -0.473 53.058 54.000 -0.781 0.000 0.845 306 D CB 1.394 41.909 40.800 -0.474 0.000 1.679 306 D HN 0.708 nan 8.370 nan 0.000 0.536 307 R N 1.334 121.518 120.500 -0.526 0.000 2.136 307 R HA -0.134 4.207 4.340 0.000 0.000 0.242 307 R C 1.673 177.844 176.300 -0.216 0.000 1.131 307 R CA 1.646 57.588 56.100 -0.264 0.000 0.937 307 R CB -0.756 29.493 30.300 -0.084 0.000 0.863 307 R HN 0.320 nan 8.270 nan 0.000 0.435 308 S N -0.360 115.231 115.700 -0.182 0.000 2.404 308 S HA 0.129 4.599 4.470 0.000 0.000 0.223 308 S C 0.893 175.418 174.600 -0.125 0.000 1.040 308 S CA 0.684 58.814 58.200 -0.117 0.000 0.957 308 S CB 0.389 63.539 63.200 -0.084 0.000 0.826 308 S HN 0.462 nan 8.310 nan 0.000 0.491 309 A N 2.869 125.571 122.820 -0.196 0.000 3.165 309 A HA 0.484 4.804 4.320 0.000 0.000 0.331 309 A C -2.754 174.626 177.584 -0.340 0.000 1.034 309 A CA -1.509 50.402 52.037 -0.210 0.000 0.906 309 A CB 0.250 19.142 19.000 -0.179 0.000 1.054 309 A HN 0.221 nan 8.150 nan 0.000 0.484 310 P HA 0.245 nan 4.420 nan 0.000 0.274 310 P C -0.301 176.622 177.300 -0.628 0.000 1.237 310 P CA -0.143 62.669 63.100 -0.479 0.000 0.793 310 P CB 1.146 32.631 31.700 -0.358 0.000 0.977 311 I N 2.237 122.593 120.570 -0.356 0.000 2.441 311 I HA 0.176 4.346 4.170 0.000 0.000 0.287 311 I C 0.679 176.749 176.117 -0.078 0.000 1.049 311 I CA -0.408 60.744 61.300 -0.246 0.000 1.381 311 I CB -0.643 37.284 38.000 -0.121 0.000 1.409 311 I HN 0.372 nan 8.210 nan 0.000 0.523 312 Y N 3.973 124.470 120.300 0.328 0.000 2.432 312 Y HA 0.550 5.101 4.550 0.000 0.000 0.322 312 Y C 0.922 177.004 175.900 0.304 0.000 1.246 312 Y CA -0.316 57.958 58.100 0.290 0.000 1.268 312 Y CB 1.656 40.268 38.460 0.253 0.000 1.276 312 Y HN 0.556 nan 8.280 nan 0.000 0.499 313 T N -0.395 114.306 114.554 0.246 0.000 2.711 313 T HA 0.150 4.500 4.350 0.000 0.000 0.302 313 T C -1.634 172.954 174.700 -0.186 0.000 1.373 313 T CA -0.861 61.279 62.100 0.068 0.000 1.000 313 T CB 1.475 70.380 68.868 0.061 0.000 1.483 313 T HN 0.668 nan 8.240 nan 0.000 0.499 314 Q N 1.893 121.543 119.800 -0.249 0.000 2.337 314 Q HA 0.346 4.686 4.340 0.000 0.000 0.270 314 Q C -2.181 173.678 176.000 -0.235 0.000 1.002 314 Q CA -1.432 54.198 55.803 -0.288 0.000 0.888 314 Q CB 0.803 29.410 28.738 -0.218 0.000 1.222 314 Q HN 0.303 nan 8.270 nan 0.000 0.400 315 P HA 0.160 nan 4.420 nan 0.000 0.287 315 P C -1.113 175.842 177.300 -0.575 0.000 1.307 315 P CA -0.096 62.741 63.100 -0.439 0.000 0.777 315 P CB 1.029 32.473 31.700 -0.427 0.000 0.883 316 R N 1.881 122.071 120.500 -0.516 0.000 2.404 316 R HA 0.197 4.537 4.340 0.000 0.000 0.237 316 R C 0.069 176.255 176.300 -0.191 0.000 0.907 316 R CA -0.205 55.711 56.100 -0.306 0.000 1.063 316 R CB -0.399 29.820 30.300 -0.134 0.000 1.134 316 R HN 0.403 nan 8.270 nan 0.000 0.529 317 Y N 0.355 120.658 120.300 0.005 0.000 3.589 317 Y HA -0.276 4.275 4.550 0.000 0.000 0.218 317 Y C -0.190 175.729 175.900 0.032 0.000 1.234 317 Y CA -0.359 57.749 58.100 0.014 0.000 1.576 317 Y CB -2.067 36.401 38.460 0.013 0.000 1.487 317 Y HN 0.088 nan 8.280 nan 0.000 0.616 318 L N 2.726 124.005 121.223 0.094 0.000 2.436 318 L HA 0.276 4.616 4.340 0.000 0.000 0.265 318 L C -1.068 175.860 176.870 0.096 0.000 1.168 318 L CA -1.846 53.068 54.840 0.124 0.000 0.815 318 L CB 0.284 42.402 42.059 0.098 0.000 1.109 318 L HN -0.028 nan 8.230 nan 0.000 0.462 319 P HA 0.247 nan 4.420 nan 0.000 0.274 319 P C -2.655 174.662 177.300 0.028 0.000 1.246 319 P CA -1.290 61.833 63.100 0.038 0.000 0.795 319 P CB -0.215 31.482 31.700 -0.006 0.000 1.006 320 P HA 0.081 nan 4.420 nan 0.000 0.268 320 P C -0.033 177.268 177.300 0.003 0.000 1.208 320 P CA 0.249 63.350 63.100 0.002 0.000 0.777 320 P CB 0.142 31.840 31.700 -0.004 0.000 0.875 321 S N 1.347 117.048 115.700 0.001 0.000 2.562 321 S HA 0.199 4.669 4.470 0.000 0.000 0.281 321 S C 0.239 174.837 174.600 -0.003 0.000 1.333 321 S CA 0.031 58.234 58.200 0.005 0.000 1.052 321 S CB 0.085 63.285 63.200 0.001 0.000 0.884 321 S HN 0.281 nan 8.310 nan 0.000 0.506 322 K N 2.489 122.887 120.400 -0.003 0.000 2.206 322 K HA 0.518 4.839 4.320 0.000 0.000 0.264 322 K C -1.057 175.540 176.600 -0.006 0.000 0.967 322 K CA -0.047 56.233 56.287 -0.010 0.000 0.844 322 K CB 0.645 33.133 32.500 -0.021 0.000 1.099 322 K HN 0.550 nan 8.250 nan 0.000 0.441 323 M N 6.580 126.175 119.600 -0.007 0.000 2.142 323 M HA 0.280 4.761 4.480 0.000 0.000 0.299 323 M C 0.182 176.479 176.300 -0.006 0.000 0.960 323 M CA -0.572 54.725 55.300 -0.005 0.000 0.920 323 M CB 1.705 34.302 32.600 -0.005 0.000 1.541 323 M HN 0.489 nan 8.290 nan 0.000 0.429 324 L N 0.906 122.126 121.223 -0.005 0.000 2.049 324 L HA 0.044 4.384 4.340 0.000 0.000 0.203 324 L C 0.501 177.367 176.870 -0.005 0.000 1.074 324 L CA 1.302 56.139 54.840 -0.006 0.000 0.749 324 L CB 0.088 42.143 42.059 -0.005 0.000 0.907 324 L HN 0.734 nan 8.230 nan 0.000 0.439 325 D N -0.260 120.137 120.400 -0.004 0.000 2.752 325 D HA 0.326 4.967 4.640 0.000 0.000 0.242 325 D C -1.128 175.170 176.300 -0.003 0.000 1.295 325 D CA -0.002 53.996 54.000 -0.004 0.000 0.846 325 D CB 0.846 41.642 40.800 -0.005 0.000 1.454 325 D HN 0.083 nan 8.370 nan 0.000 0.535 326 A N 2.160 124.979 122.820 -0.002 0.000 2.318 326 A HA 0.604 4.924 4.320 0.000 0.000 0.317 326 A C -0.719 176.867 177.584 0.004 0.000 1.159 326 A CA -0.730 51.307 52.037 0.001 0.000 0.799 326 A CB 1.005 20.006 19.000 0.001 0.000 1.194 326 A HN 0.232 nan 8.150 nan 0.000 0.479 327 D N 1.844 122.248 120.400 0.007 0.000 2.396 327 D HA 0.447 5.087 4.640 0.000 0.000 0.225 327 D C -0.551 175.765 176.300 0.027 0.000 1.121 327 D CA 0.288 54.296 54.000 0.013 0.000 0.853 327 D CB 1.370 42.175 40.800 0.009 0.000 1.043 327 D HN 0.168 nan 8.370 nan 0.000 0.500 328 V N 2.615 122.545 119.914 0.028 0.000 2.384 328 V HA 0.531 4.652 4.120 0.000 0.000 0.287 328 V C 0.309 176.432 176.094 0.049 0.000 1.020 328 V CA -0.772 61.549 62.300 0.035 0.000 0.850 328 V CB 1.453 33.285 31.823 0.015 0.000 0.987 328 V HN 0.608 nan 8.190 nan 0.000 0.436 329 T N 0.199 114.805 114.554 0.086 0.000 2.824 329 T HA 0.449 4.799 4.350 0.000 0.000 0.282 329 T C -0.238 174.485 174.700 0.038 0.000 0.993 329 T CA -0.627 61.538 62.100 0.108 0.000 0.967 329 T CB 1.392 70.411 68.868 0.253 0.000 0.960 329 T HN 0.725 nan 8.240 nan 0.000 0.441 330 D N 1.254 121.664 120.400 0.017 0.000 2.692 330 D HA -0.144 4.496 4.640 0.000 0.000 0.233 330 D C -0.297 175.983 176.300 -0.032 0.000 1.172 330 D CA 0.986 54.980 54.000 -0.011 0.000 0.636 330 D CB -1.243 39.538 40.800 -0.031 0.000 1.028 330 D HN 0.596 nan 8.370 nan 0.000 0.419 331 S N -1.139 114.541 115.700 -0.034 0.000 2.632 331 S HA 0.745 5.215 4.470 0.000 0.000 0.289 331 S C -0.056 174.513 174.600 -0.050 0.000 1.115 331 S CA -0.745 57.420 58.200 -0.059 0.000 0.889 331 S CB 3.171 66.340 63.200 -0.051 0.000 1.116 331 S HN 0.272 nan 8.310 nan 0.000 0.486 332 V N -0.461 119.412 119.914 -0.068 0.000 2.735 332 V HA 0.731 4.851 4.120 0.000 0.000 0.310 332 V C -1.279 174.778 176.094 -0.062 0.000 1.061 332 V CA -0.757 61.507 62.300 -0.060 0.000 0.913 332 V CB 1.421 33.204 31.823 -0.068 0.000 1.005 332 V HN 0.722 nan 8.190 nan 0.000 0.428 333 I N 4.021 124.560 120.570 -0.052 0.000 2.406 333 I HA 0.657 4.827 4.170 0.000 0.000 0.290 333 I C 1.007 177.091 176.117 -0.056 0.000 0.999 333 I CA 0.081 61.352 61.300 -0.048 0.000 1.124 333 I CB 1.179 39.159 38.000 -0.033 0.000 1.289 333 I HN 0.955 nan 8.210 nan 0.000 0.441 334 G N 5.282 114.043 108.800 -0.065 0.000 2.494 334 G HA2 0.313 4.273 3.960 0.000 0.000 0.270 334 G HA3 0.313 4.273 3.960 0.000 0.000 0.270 334 G C -0.252 174.611 174.900 -0.062 0.000 1.423 334 G CA -0.453 44.598 45.100 -0.081 0.000 1.055 334 G HN 0.637 nan 8.290 nan 0.000 0.536 335 E N -0.563 119.593 120.200 -0.073 0.000 2.313 335 E HA 0.413 4.763 4.350 0.000 0.000 0.276 335 E C 0.793 177.396 176.600 0.005 0.000 1.031 335 E CA 0.399 56.773 56.400 -0.043 0.000 0.857 335 E CB 0.960 30.620 29.700 -0.066 0.000 1.040 335 E HN 0.891 nan 8.360 nan 0.000 0.408 336 G N 2.420 111.248 108.800 0.047 0.000 2.305 336 G HA2 -0.323 3.637 3.960 0.000 0.000 0.287 336 G HA3 -0.323 3.637 3.960 0.000 0.000 0.287 336 G C 0.160 175.164 174.900 0.173 0.000 1.036 336 G CA -0.117 45.066 45.100 0.139 0.000 0.887 336 G HN 0.567 nan 8.290 nan 0.000 0.505 337 C N -0.620 118.728 119.300 0.081 0.000 2.604 337 C HA 0.601 5.062 4.460 0.000 0.000 0.396 337 C C 1.122 176.157 174.990 0.075 0.000 1.282 337 C CA 0.023 59.085 59.018 0.073 0.000 2.292 337 C CB 0.985 28.738 27.740 0.021 0.000 2.633 337 C HN 1.154 nan 8.230 nan 0.000 0.620 338 V N 1.675 121.637 119.914 0.079 0.000 2.340 338 V HA 0.589 4.709 4.120 0.000 0.000 0.277 338 V C -0.668 175.443 176.094 0.030 0.000 1.017 338 V CA -0.168 62.159 62.300 0.045 0.000 0.820 338 V CB 0.149 32.003 31.823 0.052 0.000 1.028 338 V HN 0.719 nan 8.190 nan 0.000 0.436 339 I N 4.690 125.269 120.570 0.015 0.000 2.404 339 I HA 0.545 4.716 4.170 0.000 0.000 0.293 339 I C 0.546 176.665 176.117 0.003 0.000 0.992 339 I CA -0.627 60.678 61.300 0.009 0.000 1.149 339 I CB 2.126 40.130 38.000 0.005 0.000 1.315 339 I HN 0.570 nan 8.210 nan 0.000 0.446 340 K N 4.023 124.424 120.400 0.003 0.000 2.879 340 K HA 0.263 4.583 4.320 0.000 0.000 0.287 340 K C -0.079 176.520 176.600 -0.002 0.000 0.988 340 K CA -0.553 55.734 56.287 0.000 0.000 1.528 340 K CB 0.127 32.628 32.500 0.001 0.000 2.046 340 K HN 0.679 nan 8.250 nan 0.000 0.785 341 N N 0.162 118.860 118.700 -0.003 0.000 2.444 341 N HA 0.325 5.065 4.740 0.000 0.000 0.271 341 N C -0.340 175.166 175.510 -0.007 0.000 1.069 341 N CA -0.670 52.377 53.050 -0.005 0.000 0.965 341 N CB 0.678 39.161 38.487 -0.007 0.000 1.092 341 N HN 0.609 nan 8.380 nan 0.000 0.476 342 C N -0.677 118.618 119.300 -0.007 0.000 3.211 342 C HA 0.572 5.032 4.460 0.000 0.000 0.350 342 C C -1.891 173.095 174.990 -0.007 0.000 1.413 342 C CA -1.361 57.651 59.018 -0.009 0.000 1.203 342 C CB 1.186 28.924 27.740 -0.004 0.000 1.506 342 C HN 0.708 nan 8.230 nan 0.000 0.448 343 K N 0.995 121.390 120.400 -0.008 0.000 2.463 343 K HA 0.691 5.011 4.320 0.000 0.000 0.255 343 K C -1.563 175.055 176.600 0.030 0.000 0.942 343 K CA -0.182 56.107 56.287 0.004 0.000 0.814 343 K CB 1.934 34.423 32.500 -0.018 0.000 1.122 343 K HN 0.728 nan 8.250 nan 0.000 0.425 344 I N 2.760 123.361 120.570 0.051 0.000 2.411 344 I HA 0.186 4.356 4.170 0.000 0.000 0.284 344 I C -0.678 175.508 176.117 0.115 0.000 1.012 344 I CA -0.733 60.605 61.300 0.064 0.000 1.119 344 I CB 1.241 39.257 38.000 0.027 0.000 1.261 344 I HN 0.564 nan 8.210 nan 0.000 0.448 345 H N 5.376 124.470 119.070 0.041 0.000 2.529 345 H HA 0.291 4.847 4.556 0.000 0.000 0.348 345 H C 0.307 175.709 175.328 0.124 0.000 1.079 345 H CA -0.331 55.761 56.048 0.074 0.000 1.198 345 H CB 0.822 30.630 29.762 0.076 0.000 1.521 345 H HN 0.611 nan 8.280 nan 0.000 0.514 346 H N 3.068 121.735 119.070 -0.671 0.000 2.527 346 H HA -0.171 4.385 4.556 0.000 0.000 0.321 346 H C -0.984 174.217 175.328 -0.212 0.000 1.092 346 H CA 0.997 56.758 56.048 -0.477 0.000 1.118 346 H CB -0.794 28.608 29.762 -0.599 0.000 1.536 346 H HN 0.545 nan 8.280 nan 0.000 0.407 347 S N -0.333 115.231 115.700 -0.226 0.000 2.704 347 S HA 0.632 5.103 4.470 0.000 0.000 0.296 347 S C -0.367 174.125 174.600 -0.181 0.000 1.138 347 S CA -0.499 57.575 58.200 -0.209 0.000 0.875 347 S CB 3.062 66.210 63.200 -0.087 0.000 1.151 347 S HN 0.170 nan 8.310 nan 0.000 0.500 348 V N 2.117 121.932 119.914 -0.165 0.000 2.407 348 V HA 0.424 4.544 4.120 0.000 0.000 0.291 348 V C -0.933 175.103 176.094 -0.097 0.000 1.018 348 V CA -0.540 61.676 62.300 -0.141 0.000 0.842 348 V CB 1.545 33.261 31.823 -0.177 0.000 0.996 348 V HN 0.652 nan 8.190 nan 0.000 0.426 349 V N 5.003 124.870 119.914 -0.079 0.000 2.318 349 V HA 0.550 4.670 4.120 0.000 0.000 0.271 349 V C 1.037 177.091 176.094 -0.067 0.000 1.030 349 V CA -0.291 61.973 62.300 -0.060 0.000 0.844 349 V CB 1.264 33.062 31.823 -0.043 0.000 1.015 349 V HN 0.903 nan 8.190 nan 0.000 0.460 350 G N 4.306 113.065 108.800 -0.068 0.000 2.636 350 G HA2 0.402 4.362 3.960 0.000 0.000 0.246 350 G HA3 0.402 4.362 3.960 0.000 0.000 0.246 350 G C 0.154 175.002 174.900 -0.086 0.000 1.216 350 G CA -0.742 44.309 45.100 -0.081 0.000 0.854 350 G HN 1.012 nan 8.290 nan 0.000 0.572 351 L N -1.179 119.980 121.223 -0.106 0.000 2.543 351 L HA 0.259 4.599 4.340 0.000 0.000 0.285 351 L C 0.968 177.753 176.870 -0.140 0.000 1.236 351 L CA -0.244 54.529 54.840 -0.111 0.000 0.871 351 L CB 0.109 42.090 42.059 -0.130 0.000 1.121 351 L HN 0.859 nan 8.230 nan 0.000 0.501 352 R N 0.510 120.938 120.500 -0.121 0.000 4.000 352 R HA -0.152 4.188 4.340 0.000 0.000 0.362 352 R C 0.061 176.298 176.300 -0.105 0.000 1.183 352 R CA 0.774 56.751 56.100 -0.206 0.000 1.011 352 R CB -2.276 27.652 30.300 -0.619 0.000 1.501 352 R HN 0.827 nan 8.270 nan 0.000 0.553 353 S N 0.906 116.573 115.700 -0.055 0.000 2.515 353 S HA 0.122 4.592 4.470 0.000 0.000 0.285 353 S C 0.603 175.211 174.600 0.014 0.000 1.265 353 S CA -0.019 58.159 58.200 -0.036 0.000 1.079 353 S CB 0.673 63.855 63.200 -0.030 0.000 0.877 353 S HN 0.414 nan 8.310 nan 0.000 0.493 354 C N 6.785 126.093 119.300 0.014 0.000 2.307 354 C HA 0.712 5.172 4.460 0.000 0.000 0.340 354 C C -0.327 174.673 174.990 0.017 0.000 1.275 354 C CA -0.848 58.194 59.018 0.039 0.000 1.811 354 C CB -1.524 26.246 27.740 0.051 0.000 2.372 354 C HN 0.799 nan 8.230 nan 0.000 0.531 355 I N 6.110 126.690 120.570 0.016 0.000 2.439 355 I HA 0.262 4.432 4.170 0.000 0.000 0.285 355 I C 0.496 176.619 176.117 0.010 0.000 1.021 355 I CA 0.128 61.434 61.300 0.010 0.000 1.091 355 I CB 1.929 39.933 38.000 0.008 0.000 1.242 355 I HN 0.711 nan 8.210 nan 0.000 0.439 356 S N 3.741 119.447 115.700 0.010 0.000 2.617 356 S HA 0.183 4.653 4.470 0.000 0.000 0.259 356 S C -0.079 174.524 174.600 0.005 0.000 1.301 356 S CA -0.683 57.522 58.200 0.009 0.000 0.984 356 S CB 0.386 63.592 63.200 0.010 0.000 0.954 356 S HN 0.486 nan 8.310 nan 0.000 0.572 357 E N 0.737 120.939 120.200 0.003 0.000 2.529 357 E HA 0.342 4.692 4.350 0.000 0.000 0.259 357 E C 1.199 177.797 176.600 -0.003 0.000 0.966 357 E CA 1.064 57.464 56.400 -0.000 0.000 0.937 357 E CB -0.273 29.427 29.700 -0.000 0.000 0.923 357 E HN 0.883 nan 8.360 nan 0.000 0.468 358 G N 1.750 110.545 108.800 -0.008 0.000 2.168 358 G HA2 -0.307 3.653 3.960 0.000 0.000 0.263 358 G HA3 -0.307 3.653 3.960 0.000 0.000 0.263 358 G C 0.465 175.351 174.900 -0.022 0.000 0.977 358 G CA 0.066 45.156 45.100 -0.016 0.000 0.659 358 G HN 0.833 nan 8.290 nan 0.000 0.533 359 A N -0.427 122.385 122.820 -0.013 0.000 2.386 359 A HA 0.711 5.031 4.320 0.000 0.000 0.248 359 A C 0.341 177.906 177.584 -0.032 0.000 1.082 359 A CA 0.255 52.285 52.037 -0.011 0.000 0.789 359 A CB 0.429 19.433 19.000 0.006 0.000 1.025 359 A HN 0.853 nan 8.150 nan 0.000 0.490 360 I N 2.719 123.261 120.570 -0.047 0.000 2.468 360 I HA 0.278 4.448 4.170 0.000 0.000 0.285 360 I C -1.023 175.108 176.117 0.023 0.000 1.039 360 I CA -0.358 60.887 61.300 -0.092 0.000 1.074 360 I CB 1.531 39.321 38.000 -0.351 0.000 1.228 360 I HN 0.381 nan 8.210 nan 0.000 0.436 361 I N 5.829 126.434 120.570 0.058 0.000 2.406 361 I HA 0.475 4.645 4.170 0.000 0.000 0.290 361 I C -0.270 175.934 176.117 0.146 0.000 0.999 361 I CA -0.513 60.850 61.300 0.105 0.000 1.124 361 I CB 1.601 39.638 38.000 0.061 0.000 1.289 361 I HN 0.613 nan 8.210 nan 0.000 0.441 362 E N 4.850 125.162 120.200 0.188 0.000 2.308 362 E HA 0.261 4.611 4.350 0.000 0.000 0.275 362 E C -1.125 175.595 176.600 0.201 0.000 0.890 362 E CA -0.744 55.800 56.400 0.240 0.000 0.754 362 E CB 1.968 31.851 29.700 0.304 0.000 1.207 362 E HN 0.482 nan 8.360 nan 0.000 0.426 363 D N 1.135 121.647 120.400 0.187 0.000 2.702 363 D HA -0.157 4.484 4.640 0.000 0.000 0.233 363 D C -0.732 175.640 176.300 0.120 0.000 1.164 363 D CA 1.195 55.285 54.000 0.150 0.000 0.638 363 D CB -0.949 40.054 40.800 0.338 0.000 1.041 363 D HN 0.215 nan 8.370 nan 0.000 0.422 364 S N -0.384 115.330 115.700 0.023 0.000 2.599 364 S HA 0.649 5.119 4.470 0.000 0.000 0.294 364 S C -0.529 174.050 174.600 -0.035 0.000 1.094 364 S CA -0.898 57.343 58.200 0.069 0.000 0.931 364 S CB 2.666 65.921 63.200 0.091 0.000 1.093 364 S HN 0.221 nan 8.310 nan 0.000 0.488 365 L N 2.775 124.011 121.223 0.021 0.000 2.295 365 L HA 0.607 4.947 4.340 0.000 0.000 0.281 365 L C -1.760 175.120 176.870 0.018 0.000 1.018 365 L CA -0.537 54.289 54.840 -0.023 0.000 0.841 365 L CB 0.346 42.404 42.059 -0.001 0.000 1.218 365 L HN 0.442 nan 8.230 nan 0.000 0.424 366 L N 6.209 127.424 121.223 -0.014 0.000 2.262 366 L HA 0.391 4.731 4.340 0.000 0.000 0.288 366 L C 1.089 177.947 176.870 -0.021 0.000 1.035 366 L CA 0.382 55.217 54.840 -0.009 0.000 0.820 366 L CB 1.465 43.514 42.059 -0.018 0.000 1.204 366 L HN 0.731 nan 8.230 nan 0.000 0.424 367 M N 1.887 121.482 119.600 -0.008 0.000 2.619 367 M HA 0.168 4.649 4.480 0.000 0.000 0.251 367 M C 1.288 177.556 176.300 -0.054 0.000 1.106 367 M CA 0.626 55.916 55.300 -0.016 0.000 1.086 367 M CB -0.277 32.331 32.600 0.014 0.000 1.465 367 M HN 0.875 nan 8.290 nan 0.000 0.506 368 G N 0.877 109.637 108.800 -0.067 0.000 2.512 368 G HA2 -0.067 3.893 3.960 0.000 0.000 0.240 368 G HA3 -0.067 3.893 3.960 0.000 0.000 0.240 368 G C -0.761 174.048 174.900 -0.152 0.000 1.246 368 G CA -0.420 44.616 45.100 -0.105 0.000 0.919 368 G HN 0.728 nan 8.290 nan 0.000 0.577 369 A N -1.717 120.970 122.820 -0.223 0.000 2.566 369 A HA 0.761 5.082 4.320 0.000 0.000 0.292 369 A C 0.066 177.450 177.584 -0.333 0.000 1.112 369 A CA 0.643 52.483 52.037 -0.329 0.000 0.707 369 A CB 1.379 20.107 19.000 -0.454 0.000 1.302 369 A HN 0.616 nan 8.150 nan 0.000 0.409 370 D N -0.656 119.531 120.400 -0.354 0.000 2.349 370 D HA 0.267 4.907 4.640 0.000 0.000 0.214 370 D C -0.568 175.706 176.300 -0.043 0.000 1.063 370 D CA 1.416 55.335 54.000 -0.135 0.000 0.847 370 D CB 0.084 40.916 40.800 0.053 0.000 0.933 370 D HN 0.513 nan 8.370 nan 0.000 0.513 371 Y N -2.726 117.453 120.300 -0.202 0.000 2.741 371 Y HA 0.447 4.998 4.550 0.000 0.000 0.339 371 Y C -1.791 173.958 175.900 -0.251 0.000 1.226 371 Y CA -1.728 56.253 58.100 -0.198 0.000 1.072 371 Y CB 0.230 38.657 38.460 -0.054 0.000 1.331 371 Y HN -0.292 nan 8.280 nan 0.000 0.453 372 Y N 0.775 121.199 120.300 0.206 0.000 2.420 372 Y HA 0.517 5.067 4.550 0.000 0.000 0.334 372 Y C -0.141 175.887 175.900 0.214 0.000 1.094 372 Y CA -0.858 57.312 58.100 0.117 0.000 1.126 372 Y CB 1.864 40.367 38.460 0.071 0.000 1.217 372 Y HN 0.486 nan 8.280 nan 0.000 0.462 373 E N 1.728 122.116 120.200 0.313 0.000 2.156 373 E HA 0.240 4.591 4.350 0.000 0.000 0.279 373 E C -0.524 176.169 176.600 0.154 0.000 0.965 373 E CA -0.673 55.865 56.400 0.229 0.000 0.789 373 E CB 1.323 31.130 29.700 0.180 0.000 1.098 373 E HN 0.668 nan 8.360 nan 0.000 0.397 374 T N -0.164 114.458 114.554 0.114 0.000 2.816 374 T HA 0.088 4.439 4.350 0.000 0.000 0.282 374 T C 0.767 175.497 174.700 0.049 0.000 0.993 374 T CA -0.736 61.403 62.100 0.065 0.000 0.994 374 T CB 0.934 69.831 68.868 0.048 0.000 1.025 374 T HN 0.188 nan 8.240 nan 0.000 0.529 375 D N 0.755 121.172 120.400 0.029 0.000 2.149 375 D HA -0.062 4.578 4.640 0.000 0.000 0.198 375 D C 2.324 178.638 176.300 0.024 0.000 0.990 375 D CA 1.657 55.672 54.000 0.024 0.000 0.839 375 D CB -0.741 40.066 40.800 0.013 0.000 0.948 375 D HN 0.741 nan 8.370 nan 0.000 0.460 376 A N 1.056 123.890 122.820 0.023 0.000 1.908 376 A HA -0.213 4.107 4.320 0.000 0.000 0.218 376 A C 1.747 179.347 177.584 0.026 0.000 1.181 376 A CA 1.952 54.001 52.037 0.021 0.000 0.627 376 A CB -0.380 18.631 19.000 0.018 0.000 0.818 376 A HN 0.115 nan 8.150 nan 0.000 0.445 377 D N -0.544 119.878 120.400 0.037 0.000 2.103 377 D HA -0.095 4.546 4.640 0.000 0.000 0.199 377 D C 2.150 178.477 176.300 0.045 0.000 0.978 377 D CA 1.102 55.129 54.000 0.045 0.000 0.829 377 D CB -0.480 40.361 40.800 0.067 0.000 0.981 377 D HN 0.431 nan 8.370 nan 0.000 0.464 378 R N 0.598 121.125 120.500 0.046 0.000 2.083 378 R HA -0.089 4.251 4.340 0.000 0.000 0.237 378 R C 2.095 178.414 176.300 0.031 0.000 1.137 378 R CA 1.030 57.154 56.100 0.041 0.000 0.951 378 R CB 0.020 30.343 30.300 0.038 0.000 0.851 378 R HN 0.088 nan 8.270 nan 0.000 0.434 379 K N 0.810 121.225 120.400 0.025 0.000 2.026 379 K HA -0.150 4.170 4.320 0.000 0.000 0.208 379 K C 2.058 178.670 176.600 0.019 0.000 1.048 379 K CA 0.895 57.194 56.287 0.020 0.000 0.929 379 K CB -0.775 31.735 32.500 0.016 0.000 0.713 379 K HN 0.116 nan 8.250 nan 0.000 0.439 380 L N 1.434 122.669 121.223 0.020 0.000 2.042 380 L HA -0.136 4.204 4.340 0.000 0.000 0.210 380 L C 2.113 178.996 176.870 0.021 0.000 1.076 380 L CA 1.418 56.269 54.840 0.019 0.000 0.749 380 L CB -0.529 41.541 42.059 0.019 0.000 0.893 380 L HN 0.074 nan 8.230 nan 0.000 0.432 381 L N -0.789 120.449 121.223 0.026 0.000 2.017 381 L HA -0.187 4.154 4.340 0.000 0.000 0.208 381 L C 2.703 179.587 176.870 0.023 0.000 1.073 381 L CA 1.314 56.171 54.840 0.028 0.000 0.745 381 L CB -1.070 41.010 42.059 0.036 0.000 0.894 381 L HN 0.363 nan 8.230 nan 0.000 0.432 382 A N 0.098 122.931 122.820 0.022 0.000 1.902 382 A HA -0.188 4.132 4.320 0.000 0.000 0.217 382 A C 2.550 180.143 177.584 0.016 0.000 1.181 382 A CA 1.761 53.809 52.037 0.019 0.000 0.623 382 A CB -0.838 18.172 19.000 0.017 0.000 0.818 382 A HN 0.403 nan 8.150 nan 0.000 0.443 383 A N -0.390 122.439 122.820 0.015 0.000 1.986 383 A HA -0.218 4.102 4.320 0.000 0.000 0.220 383 A C 2.098 179.690 177.584 0.013 0.000 1.171 383 A CA 2.081 54.125 52.037 0.013 0.000 0.640 383 A CB -0.397 18.610 19.000 0.012 0.000 0.811 383 A HN 0.548 nan 8.150 nan 0.000 0.451 384 K N -1.456 118.953 120.400 0.015 0.000 2.426 384 K HA 0.190 4.510 4.320 0.000 0.000 0.193 384 K C 1.078 177.687 176.600 0.015 0.000 1.028 384 K CA 0.806 57.102 56.287 0.015 0.000 1.047 384 K CB -0.246 32.263 32.500 0.016 0.000 0.821 384 K HN 0.684 nan 8.250 nan 0.000 0.513 385 G N 0.851 109.661 108.800 0.016 0.000 2.179 385 G HA2 -0.296 3.665 3.960 0.000 0.000 0.260 385 G HA3 -0.296 3.665 3.960 0.000 0.000 0.260 385 G C 0.132 175.043 174.900 0.019 0.000 0.977 385 G CA 0.622 45.731 45.100 0.016 0.000 0.641 385 G HN 0.431 nan 8.290 nan 0.000 0.533 386 S N -1.189 114.523 115.700 0.021 0.000 2.617 386 S HA 0.616 5.086 4.470 0.000 0.000 0.259 386 S C 0.571 175.187 174.600 0.026 0.000 1.301 386 S CA 0.251 58.466 58.200 0.025 0.000 0.984 386 S CB 1.202 64.418 63.200 0.028 0.000 0.954 386 S HN 0.932 nan 8.310 nan 0.000 0.572 387 V N 4.552 124.483 119.914 0.028 0.000 2.459 387 V HA 0.507 4.627 4.120 0.000 0.000 0.295 387 V C -1.974 174.139 176.094 0.033 0.000 1.029 387 V CA -1.671 60.646 62.300 0.027 0.000 0.874 387 V CB 1.444 33.281 31.823 0.024 0.000 0.985 387 V HN 0.807 nan 8.190 nan 0.000 0.438 388 P HA 0.366 nan 4.420 nan 0.000 0.278 388 P C -0.202 177.116 177.300 0.031 0.000 1.258 388 P CA -0.507 62.618 63.100 0.041 0.000 0.811 388 P CB 1.158 32.884 31.700 0.043 0.000 1.063 389 I N 0.212 120.802 120.570 0.032 0.000 2.775 389 I HA 0.273 4.444 4.170 0.000 0.000 0.290 389 I C 1.332 177.442 176.117 -0.011 0.000 1.203 389 I CA 1.381 62.677 61.300 -0.008 0.000 1.433 389 I CB -0.769 37.196 38.000 -0.060 0.000 1.354 389 I HN 0.730 nan 8.210 nan 0.000 0.579 390 G N 6.223 115.010 108.800 -0.023 0.000 2.408 390 G HA2 -0.056 3.904 3.960 0.000 0.000 0.682 390 G HA3 -0.056 3.904 3.960 0.000 0.000 0.682 390 G C -0.968 173.930 174.900 -0.003 0.000 1.303 390 G CA -1.105 43.986 45.100 -0.014 0.000 0.966 390 G HN 0.338 nan 8.290 nan 0.000 0.560 391 I N 2.338 122.909 120.570 0.002 0.000 2.337 391 I HA 0.440 4.611 4.170 0.000 0.000 0.291 391 I C 1.660 177.783 176.117 0.011 0.000 1.046 391 I CA 0.348 61.653 61.300 0.008 0.000 1.324 391 I CB -0.089 37.918 38.000 0.012 0.000 1.409 391 I HN 0.918 nan 8.210 nan 0.000 0.494 392 G N 6.466 115.273 108.800 0.011 0.000 2.683 392 G HA2 0.153 4.113 3.960 0.000 0.000 0.260 392 G HA3 0.153 4.113 3.960 0.000 0.000 0.260 392 G C 0.080 174.987 174.900 0.012 0.000 1.238 392 G CA -0.660 44.448 45.100 0.012 0.000 0.934 392 G HN 0.577 nan 8.290 nan 0.000 0.534 393 K N 0.057 120.464 120.400 0.011 0.000 2.436 393 K HA 0.007 4.327 4.320 0.000 0.000 0.275 393 K C 0.379 176.985 176.600 0.009 0.000 0.999 393 K CA 0.430 56.722 56.287 0.008 0.000 0.980 393 K CB 0.226 32.730 32.500 0.007 0.000 0.919 393 K HN 0.579 nan 8.250 nan 0.000 0.484 394 N N 0.020 118.723 118.700 0.005 0.000 2.701 394 N HA -0.219 4.521 4.740 0.000 0.000 0.250 394 N C -0.793 174.728 175.510 0.018 0.000 1.046 394 N CA 0.404 53.457 53.050 0.004 0.000 0.733 394 N CB -1.258 37.231 38.487 0.003 0.000 0.973 394 N HN 0.414 nan 8.380 nan 0.000 0.541 395 C N -0.231 119.085 119.300 0.026 0.000 2.520 395 C HA 0.326 4.786 4.460 0.000 0.000 0.376 395 C C 0.817 175.864 174.990 0.096 0.000 1.268 395 C CA -0.462 58.587 59.018 0.052 0.000 2.414 395 C CB 0.693 28.457 27.740 0.041 0.000 2.521 395 C HN 0.422 nan 8.230 nan 0.000 0.618 396 H N 2.304 121.373 119.070 -0.002 0.000 2.970 396 H HA 0.514 5.070 4.556 0.000 0.000 0.315 396 H C -1.029 174.301 175.328 0.003 0.000 0.992 396 H CA -0.999 55.051 56.048 0.004 0.000 1.363 396 H CB 0.206 29.970 29.762 0.003 0.000 1.532 396 H HN 0.403 nan 8.280 nan 0.000 0.514 397 I N 4.453 125.186 120.570 0.272 0.000 2.354 397 I HA 0.356 4.527 4.170 0.000 0.000 0.292 397 I C 0.132 176.330 176.117 0.134 0.000 0.989 397 I CA -0.554 60.818 61.300 0.121 0.000 1.188 397 I CB 1.216 39.269 38.000 0.088 0.000 1.342 397 I HN 0.463 nan 8.210 nan 0.000 0.457 398 K N 5.640 126.058 120.400 0.031 0.000 2.501 398 K HA 0.380 4.700 4.320 0.000 0.000 0.252 398 K C -0.032 176.599 176.600 0.051 0.000 0.934 398 K CA -0.815 55.503 56.287 0.051 0.000 0.797 398 K CB 1.941 34.415 32.500 -0.042 0.000 1.270 398 K HN 0.532 nan 8.250 nan 0.000 0.431 399 R N 1.396 121.970 120.500 0.122 0.000 3.225 399 R HA -0.239 4.101 4.340 0.000 0.000 0.245 399 R C -1.705 174.629 176.300 0.056 0.000 0.928 399 R CA 0.997 57.169 56.100 0.121 0.000 0.632 399 R CB -1.528 28.787 30.300 0.026 0.000 1.038 399 R HN 0.576 nan 8.270 nan 0.000 0.461 400 A N 1.473 124.376 122.820 0.139 0.000 2.469 400 A HA 0.787 5.108 4.320 0.000 0.000 0.299 400 A C -0.486 177.204 177.584 0.176 0.000 1.098 400 A CA -0.792 51.309 52.037 0.107 0.000 0.737 400 A CB 1.376 20.409 19.000 0.055 0.000 1.312 400 A HN 0.281 nan 8.150 nan 0.000 0.414 401 I N 2.227 122.890 120.570 0.155 0.000 2.382 401 I HA 0.301 4.472 4.170 0.000 0.000 0.286 401 I C -0.980 175.199 176.117 0.103 0.000 1.002 401 I CA -0.479 60.922 61.300 0.169 0.000 1.135 401 I CB 1.511 39.643 38.000 0.221 0.000 1.288 401 I HN 0.374 nan 8.210 nan 0.000 0.448 402 I N 5.206 125.820 120.570 0.074 0.000 2.306 402 I HA 0.255 4.425 4.170 0.000 0.000 0.288 402 I C 0.306 176.440 176.117 0.029 0.000 1.036 402 I CA -0.184 61.141 61.300 0.041 0.000 1.221 402 I CB 0.678 38.692 38.000 0.023 0.000 1.385 402 I HN 0.516 nan 8.210 nan 0.000 0.472 403 D N 5.694 126.106 120.400 0.020 0.000 2.393 403 D HA 0.084 4.725 4.640 0.000 0.000 0.246 403 D C 0.341 176.629 176.300 -0.019 0.000 1.275 403 D CA -0.200 53.802 54.000 0.003 0.000 0.979 403 D CB 1.001 41.791 40.800 -0.017 0.000 1.101 403 D HN 0.149 nan 8.370 nan 0.000 0.505 404 K N 1.602 121.982 120.400 -0.032 0.000 2.524 404 K HA -0.052 4.269 4.320 0.000 0.000 0.279 404 K C 0.264 176.821 176.600 -0.072 0.000 0.993 404 K CA 0.217 56.467 56.287 -0.062 0.000 1.030 404 K CB -0.095 32.371 32.500 -0.057 0.000 0.891 404 K HN 0.400 nan 8.250 nan 0.000 0.488 405 N N -1.494 117.127 118.700 -0.132 0.000 2.753 405 N HA -0.218 4.522 4.740 0.000 0.000 0.251 405 N C -0.288 175.185 175.510 -0.062 0.000 1.097 405 N CA 1.274 54.236 53.050 -0.148 0.000 0.786 405 N CB -1.745 36.677 38.487 -0.108 0.000 1.137 405 N HN 0.735 nan 8.380 nan 0.000 0.566 406 A N 0.533 123.326 122.820 -0.044 0.000 2.498 406 A HA 0.351 4.671 4.320 0.000 0.000 0.239 406 A C 0.690 178.268 177.584 -0.010 0.000 1.068 406 A CA 0.193 52.222 52.037 -0.013 0.000 0.766 406 A CB 0.289 19.285 19.000 -0.006 0.000 1.003 406 A HN 0.280 nan 8.150 nan 0.000 0.497 407 R N 2.231 122.736 120.500 0.008 0.000 2.278 407 R HA 0.335 4.676 4.340 0.000 0.000 0.322 407 R C -0.959 175.349 176.300 0.013 0.000 1.058 407 R CA -0.350 55.758 56.100 0.013 0.000 0.991 407 R CB 0.775 31.090 30.300 0.026 0.000 1.140 407 R HN 0.564 nan 8.270 nan 0.000 0.518 408 I N 2.675 123.249 120.570 0.008 0.000 2.304 408 I HA 0.229 4.399 4.170 0.000 0.000 0.291 408 I C 1.250 177.372 176.117 0.009 0.000 1.018 408 I CA -0.361 60.942 61.300 0.006 0.000 1.260 408 I CB 0.903 38.904 38.000 0.002 0.000 1.390 408 I HN 0.595 nan 8.210 nan 0.000 0.475 409 G N 5.355 114.161 108.800 0.010 0.000 2.667 409 G HA2 0.113 4.074 3.960 0.000 0.000 0.250 409 G HA3 0.113 4.074 3.960 0.000 0.000 0.250 409 G C -0.092 174.814 174.900 0.010 0.000 1.212 409 G CA -0.421 44.686 45.100 0.012 0.000 0.874 409 G HN 0.566 nan 8.290 nan 0.000 0.561 410 D N 0.281 120.688 120.400 0.012 0.000 2.400 410 D HA 0.032 4.672 4.640 0.000 0.000 0.238 410 D C 0.930 177.237 176.300 0.011 0.000 1.157 410 D CA 0.278 54.285 54.000 0.012 0.000 0.889 410 D CB 0.461 41.267 40.800 0.011 0.000 1.199 410 D HN 0.463 nan 8.370 nan 0.000 0.436 411 N N -1.271 117.438 118.700 0.014 0.000 2.863 411 N HA -0.179 4.561 4.740 0.000 0.000 0.245 411 N C -0.309 175.211 175.510 0.016 0.000 1.001 411 N CA 0.335 53.395 53.050 0.017 0.000 0.901 411 N CB -1.312 37.183 38.487 0.013 0.000 1.124 411 N HN 0.180 nan 8.380 nan 0.000 0.582 412 V N 1.540 121.460 119.914 0.011 0.000 2.763 412 V HA 0.022 4.143 4.120 0.000 0.000 0.306 412 V C 0.818 176.915 176.094 0.006 0.000 1.059 412 V CA 0.485 62.783 62.300 -0.003 0.000 1.138 412 V CB 1.145 32.959 31.823 -0.015 0.000 0.940 412 V HN 0.006 nan 8.190 nan 0.000 0.489 413 K N 5.712 126.101 120.400 -0.018 0.000 2.521 413 K HA 0.492 4.812 4.320 0.000 0.000 0.248 413 K C -0.804 175.746 176.600 -0.085 0.000 0.978 413 K CA -0.208 56.064 56.287 -0.024 0.000 0.947 413 K CB 1.692 34.180 32.500 -0.019 0.000 1.165 413 K HN 0.501 nan 8.250 nan 0.000 0.445 414 I N 5.324 125.838 120.570 -0.094 0.000 2.268 414 I HA 0.137 4.307 4.170 0.000 0.000 0.290 414 I C 0.682 176.711 176.117 -0.147 0.000 1.125 414 I CA -0.130 61.095 61.300 -0.125 0.000 1.236 414 I CB 0.236 38.176 38.000 -0.100 0.000 1.469 414 I HN 0.401 nan 8.210 nan 0.000 0.512 415 I N 2.807 123.285 120.570 -0.155 0.000 4.433 415 I HA 0.079 4.250 4.170 0.000 0.000 0.322 415 I C 0.898 176.952 176.117 -0.104 0.000 1.284 415 I CA 0.199 61.397 61.300 -0.170 0.000 1.269 415 I CB -0.772 37.106 38.000 -0.203 0.000 1.219 415 I HN 0.569 nan 8.210 nan 0.000 0.436 416 N N 3.381 122.032 118.700 -0.082 0.000 2.667 416 N HA -0.238 4.503 4.740 0.000 0.000 0.263 416 N C 1.131 176.615 175.510 -0.042 0.000 1.038 416 N CA 0.967 53.987 53.050 -0.051 0.000 0.749 416 N CB -0.440 38.022 38.487 -0.043 0.000 0.892 416 N HN 0.630 nan 8.380 nan 0.000 0.546 417 K N -1.088 119.288 120.400 -0.041 0.000 2.152 417 K HA -0.123 4.197 4.320 0.000 0.000 0.206 417 K C 0.429 177.017 176.600 -0.019 0.000 1.048 417 K CA 1.556 57.825 56.287 -0.030 0.000 0.933 417 K CB 0.041 32.525 32.500 -0.026 0.000 0.721 417 K HN 0.190 nan 8.250 nan 0.000 0.447 418 D N 1.401 121.792 120.400 -0.016 0.000 2.324 418 D HA -0.039 4.601 4.640 0.000 0.000 0.235 418 D C -0.128 176.164 176.300 -0.013 0.000 1.095 418 D CA 0.163 54.156 54.000 -0.012 0.000 0.871 418 D CB -0.312 40.483 40.800 -0.009 0.000 0.906 418 D HN 0.243 nan 8.370 nan 0.000 0.522 419 N N 0.782 119.472 118.700 -0.017 0.000 2.708 419 N HA -0.186 4.555 4.740 0.000 0.000 0.251 419 N C -0.621 174.877 175.510 -0.020 0.000 1.017 419 N CA 0.117 53.156 53.050 -0.019 0.000 0.742 419 N CB -1.001 37.478 38.487 -0.014 0.000 0.943 419 N HN 0.015 nan 8.380 nan 0.000 0.539 420 V N 1.667 121.569 119.914 -0.020 0.000 2.557 420 V HA -0.092 4.029 4.120 0.000 0.000 0.301 420 V C 1.722 177.794 176.094 -0.036 0.000 1.026 420 V CA 0.448 62.733 62.300 -0.025 0.000 1.137 420 V CB 1.430 33.241 31.823 -0.020 0.000 0.917 420 V HN 0.298 nan 8.190 nan 0.000 0.484 421 Q N 2.452 122.228 119.800 -0.041 0.000 2.123 421 Q HA 0.077 4.417 4.340 0.000 0.000 0.196 421 Q C 0.368 176.324 176.000 -0.073 0.000 0.958 421 Q CA 1.012 56.787 55.803 -0.047 0.000 0.841 421 Q CB 0.371 29.088 28.738 -0.035 0.000 0.915 421 Q HN 0.771 nan 8.270 nan 0.000 0.455 422 E N -0.605 119.538 120.200 -0.095 0.000 2.266 422 E HA 0.716 5.066 4.350 0.000 0.000 0.268 422 E C -1.251 175.222 176.600 -0.212 0.000 0.879 422 E CA -0.773 55.528 56.400 -0.165 0.000 0.762 422 E CB 2.406 32.029 29.700 -0.127 0.000 1.199 422 E HN 0.046 nan 8.360 nan 0.000 0.422 423 A N 0.728 123.321 122.820 -0.378 0.000 2.547 423 A HA 0.593 4.914 4.320 0.000 0.000 0.300 423 A C -1.417 175.819 177.584 -0.580 0.000 1.061 423 A CA -0.315 51.513 52.037 -0.348 0.000 0.808 423 A CB 1.092 19.966 19.000 -0.209 0.000 1.304 423 A HN 0.542 nan 8.150 nan 0.000 0.393 424 A N 2.973 125.560 122.820 -0.389 0.000 2.582 424 A HA 0.610 4.930 4.320 0.000 0.000 0.336 424 A C 0.192 177.682 177.584 -0.157 0.000 1.445 424 A CA -0.594 51.302 52.037 -0.235 0.000 0.997 424 A CB -0.076 18.950 19.000 0.044 0.000 1.148 424 A HN 0.581 nan 8.150 nan 0.000 0.514 425 R N 2.025 122.337 120.500 -0.313 0.000 2.831 425 R HA 0.168 4.508 4.340 0.000 0.000 0.337 425 R C 0.069 176.233 176.300 -0.227 0.000 1.200 425 R CA -0.198 55.635 56.100 -0.446 0.000 1.088 425 R CB -0.404 29.163 30.300 -1.222 0.000 1.397 425 R HN 0.703 nan 8.270 nan 0.000 0.581 426 E N 0.734 120.934 120.200 0.000 0.000 2.065 426 E HA -0.204 4.146 4.350 0.000 0.000 0.201 426 E C 1.694 178.314 176.600 0.033 0.000 1.016 426 E CA 2.761 59.198 56.400 0.062 0.000 0.818 426 E CB -0.290 29.480 29.700 0.116 0.000 0.749 426 E HN 0.468 nan 8.360 nan 0.000 0.453 427 T N -0.910 113.654 114.554 0.017 0.000 2.822 427 T HA -0.177 4.173 4.350 0.000 0.000 0.270 427 T C 1.041 175.762 174.700 0.036 0.000 1.064 427 T CA 1.561 63.674 62.100 0.022 0.000 1.131 427 T CB -0.163 68.713 68.868 0.012 0.000 0.858 427 T HN 0.013 nan 8.240 nan 0.000 0.483 428 D N 0.966 121.383 120.400 0.030 0.000 2.342 428 D HA 0.278 4.918 4.640 0.000 0.000 0.221 428 D C 1.571 178.003 176.300 0.220 0.000 1.101 428 D CA 0.633 54.701 54.000 0.113 0.000 0.837 428 D CB 0.173 41.054 40.800 0.135 0.000 0.938 428 D HN 0.631 nan 8.370 nan 0.000 0.508 429 G N 1.291 110.181 108.800 0.150 0.000 2.159 429 G HA2 -0.291 3.669 3.960 0.000 0.000 0.256 429 G HA3 -0.291 3.669 3.960 0.000 0.000 0.256 429 G C 0.114 175.177 174.900 0.272 0.000 0.977 429 G CA 0.874 46.079 45.100 0.175 0.000 0.652 429 G HN 0.513 nan 8.290 nan 0.000 0.531 430 Y N -2.938 117.409 120.300 0.078 0.000 2.689 430 Y HA 0.837 5.388 4.550 0.000 0.000 0.333 430 Y C -1.067 174.959 175.900 0.211 0.000 1.190 430 Y CA -2.508 55.656 58.100 0.105 0.000 1.063 430 Y CB 1.227 39.725 38.460 0.064 0.000 1.294 430 Y HN 0.442 nan 8.280 nan 0.000 0.466 431 F N 1.791 121.828 119.950 0.144 0.000 2.615 431 F HA 0.681 5.208 4.527 0.000 0.000 0.312 431 F C -1.842 174.030 175.800 0.119 0.000 1.119 431 F CA -1.263 56.759 58.000 0.038 0.000 0.979 431 F CB 1.696 40.713 39.000 0.029 0.000 1.266 431 F HN 0.510 nan 8.300 nan 0.000 0.444 432 I N 5.459 125.870 120.570 -0.265 0.000 2.389 432 I HA 0.448 4.618 4.170 0.000 0.000 0.288 432 I C -0.918 175.068 176.117 -0.218 0.000 0.999 432 I CA -0.751 60.482 61.300 -0.113 0.000 1.129 432 I CB 1.875 39.836 38.000 -0.065 0.000 1.288 432 I HN 0.480 nan 8.210 nan 0.000 0.444 433 K N 4.085 124.475 120.400 -0.016 0.000 2.482 433 K HA 0.401 4.721 4.320 0.000 0.000 0.251 433 K C -0.013 176.591 176.600 0.007 0.000 0.936 433 K CA -0.375 55.927 56.287 0.025 0.000 0.791 433 K CB 1.589 34.216 32.500 0.212 0.000 1.213 433 K HN 0.634 nan 8.250 nan 0.000 0.428 434 S N 2.038 117.732 115.700 -0.010 0.000 3.521 434 S HA -0.207 4.263 4.470 0.000 0.000 0.328 434 S C 0.806 175.376 174.600 -0.051 0.000 1.165 434 S CA 1.150 59.337 58.200 -0.021 0.000 0.941 434 S CB -1.694 61.502 63.200 -0.006 0.000 0.951 434 S HN 1.258 nan 8.310 nan 0.000 0.539 435 G N -0.353 108.414 108.800 -0.054 0.000 2.184 435 G HA2 -0.307 3.653 3.960 0.000 0.000 0.264 435 G HA3 -0.307 3.653 3.960 0.000 0.000 0.264 435 G C -0.016 174.830 174.900 -0.090 0.000 0.975 435 G CA 0.317 45.380 45.100 -0.062 0.000 0.642 435 G HN 0.775 nan 8.290 nan 0.000 0.536 436 I N 1.428 121.934 120.570 -0.108 0.000 2.312 436 I HA 0.391 4.561 4.170 0.000 0.000 0.290 436 I C 0.597 176.697 176.117 -0.029 0.000 1.008 436 I CA -1.058 60.153 61.300 -0.148 0.000 1.226 436 I CB 1.740 39.586 38.000 -0.257 0.000 1.371 436 I HN -0.126 nan 8.210 nan 0.000 0.468 437 V N 5.611 125.521 119.914 -0.007 0.000 2.488 437 V HA 0.188 4.308 4.120 0.000 0.000 0.277 437 V C 0.407 176.560 176.094 0.097 0.000 1.046 437 V CA 0.044 62.382 62.300 0.063 0.000 0.986 437 V CB 1.075 32.905 31.823 0.011 0.000 0.989 437 V HN 0.713 nan 8.190 nan 0.000 0.475 438 T N 4.781 119.437 114.554 0.170 0.000 2.791 438 T HA 0.399 4.750 4.350 0.000 0.000 0.288 438 T C -0.277 174.523 174.700 0.166 0.000 0.999 438 T CA -0.320 61.872 62.100 0.153 0.000 0.952 438 T CB 1.332 70.287 68.868 0.144 0.000 0.938 438 T HN 0.340 nan 8.240 nan 0.000 0.444 439 V N 5.671 125.651 119.914 0.109 0.000 2.432 439 V HA 0.306 4.427 4.120 0.000 0.000 0.271 439 V C 0.772 176.898 176.094 0.053 0.000 1.046 439 V CA -0.730 61.630 62.300 0.099 0.000 0.945 439 V CB 0.331 32.187 31.823 0.054 0.000 0.992 439 V HN 0.792 nan 8.190 nan 0.000 0.471 440 I N 4.212 124.810 120.570 0.047 0.000 2.892 440 I HA 0.064 4.234 4.170 0.000 0.000 0.287 440 I C 0.969 177.079 176.117 -0.010 0.000 1.205 440 I CA 0.092 61.383 61.300 -0.016 0.000 1.409 440 I CB 0.274 38.259 38.000 -0.025 0.000 1.367 440 I HN 0.624 nan 8.210 nan 0.000 0.597 441 K N 5.650 126.030 120.400 -0.033 0.000 2.447 441 K HA -0.074 4.246 4.320 0.000 0.000 0.281 441 K C -0.063 176.536 176.600 -0.002 0.000 1.031 441 K CA 0.163 56.438 56.287 -0.020 0.000 1.019 441 K CB 0.309 32.793 32.500 -0.026 0.000 0.918 441 K HN 0.711 nan 8.250 nan 0.000 0.476 442 D N 0.262 120.666 120.400 0.007 0.000 2.946 442 D HA -0.190 4.450 4.640 0.000 0.000 0.202 442 D C -0.240 176.078 176.300 0.029 0.000 1.068 442 D CA 1.394 55.409 54.000 0.026 0.000 1.011 442 D CB -1.279 39.544 40.800 0.038 0.000 1.105 442 D HN 0.736 nan 8.370 nan 0.000 0.425 443 A N 0.225 123.060 122.820 0.026 0.000 2.466 443 A HA 0.444 4.764 4.320 0.000 0.000 0.238 443 A C 0.222 177.830 177.584 0.040 0.000 1.074 443 A CA 0.021 52.082 52.037 0.039 0.000 0.774 443 A CB 0.504 19.537 19.000 0.055 0.000 1.015 443 A HN 0.256 nan 8.150 nan 0.000 0.498 444 L N 3.041 124.291 121.223 0.046 0.000 2.305 444 L HA 0.516 4.856 4.340 0.000 0.000 0.284 444 L C -1.029 175.869 176.870 0.045 0.000 1.013 444 L CA -0.317 54.547 54.840 0.040 0.000 0.819 444 L CB 1.148 43.230 42.059 0.038 0.000 1.227 444 L HN 0.529 nan 8.230 nan 0.000 0.417 445 I N 7.227 127.817 120.570 0.033 0.000 2.347 445 I HA 0.349 4.519 4.170 0.000 0.000 0.283 445 I C -2.092 174.036 176.117 0.017 0.000 1.058 445 I CA -2.375 58.940 61.300 0.025 0.000 1.202 445 I CB 0.685 38.683 38.000 -0.004 0.000 1.386 445 I HN 0.433 nan 8.210 nan 0.000 0.475 446 P HA -0.022 nan 4.420 nan 0.000 0.266 446 P C 0.192 177.499 177.300 0.013 0.000 1.186 446 P CA 0.282 63.394 63.100 0.021 0.000 0.767 446 P CB 0.374 32.090 31.700 0.026 0.000 0.820 447 S N 1.649 117.357 115.700 0.013 0.000 2.566 447 S HA 0.300 4.770 4.470 0.000 0.000 0.280 447 S C 1.533 176.138 174.600 0.008 0.000 1.343 447 S CA 0.260 58.466 58.200 0.009 0.000 1.036 447 S CB -0.357 62.850 63.200 0.011 0.000 0.866 447 S HN 0.992 nan 8.310 nan 0.000 0.526 448 G N 0.852 109.655 108.800 0.006 0.000 2.320 448 G HA2 -0.253 3.707 3.960 0.000 0.000 0.242 448 G HA3 -0.253 3.707 3.960 0.000 0.000 0.242 448 G C 0.212 175.112 174.900 -0.001 0.000 1.033 448 G CA 0.084 45.187 45.100 0.005 0.000 0.620 448 G HN 0.719 nan 8.290 nan 0.000 0.517 449 I N 1.874 122.440 120.570 -0.005 0.000 2.880 449 I HA 0.155 4.325 4.170 0.000 0.000 0.296 449 I C 0.989 177.084 176.117 -0.037 0.000 1.220 449 I CA 0.531 61.821 61.300 -0.017 0.000 1.435 449 I CB 0.205 38.192 38.000 -0.022 0.000 1.339 449 I HN 0.175 nan 8.210 nan 0.000 0.583 450 I N 7.387 127.932 120.570 -0.041 0.000 2.439 450 I HA 0.403 4.573 4.170 0.000 0.000 0.283 450 I C 0.144 176.213 176.117 -0.079 0.000 1.023 450 I CA -0.329 60.938 61.300 -0.054 0.000 1.100 450 I CB 1.446 39.429 38.000 -0.028 0.000 1.238 450 I HN 0.378 nan 8.210 nan 0.000 0.445 451 I N 0.000 120.486 120.570 -0.140 0.000 2.984 451 I HA 0.000 4.170 4.170 0.000 0.000 0.288 451 I CA 0.000 61.191 61.300 -0.182 0.000 1.566 451 I CB 0.000 37.745 38.000 -0.424 0.000 1.214 451 I HN 0.000 nan 8.210 nan 0.000 0.494