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 1b26_1_F DATA FIRST_RESID 4 DATA SEQUENCE SLYEMAVEQF NRAASLMDLE SDLAEVLRRP KRVLIVEFPV RMDDGHVEVF DATA SEQUENCE TGYRVQHNVA RGPAKGGIRY HPDVTLDEVK ALAFWMTWKT AVMNLPFGGG DATA SEQUENCE KGGVRVDPKK LSRNELERLS RRFFSEIQVI IGPYNDIPAP DVNTNADVIA DATA SEQUENCE WYMDTYSMNV GHTVLGIVTG KPVELGGSKG REEATGRGVK VCAGLAMDVL DATA SEQUENCE GIDPKKATVA VQGFGNVGQF AALLISQELG SKVVAVSDSR GGIYNPEGFD DATA SEQUENCE VEELIRYKKE HGTVVTYPKG ERITNEELLE LDVDILVPAA LEGAIHAGNA DATA SEQUENCE ERIKAKAVVE GANGPTTPEA DEILSRRGIL VVPDILANAG GVTVSYFEWV DATA SEQUENCE QDLQSFFWDL DQVRNALEKM MKGAFNDVMK VKEKYNVDMR TAAYILAIDR DATA SEQUENCE VAYATKKRG 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.612 174.600 0.020 0.000 1.055 4 S CA 0.000 58.212 58.200 0.021 0.000 1.107 4 S CB 0.000 63.221 63.200 0.034 0.000 0.593 5 L N 0.801 122.049 121.223 0.042 0.000 2.043 5 L HA 0.005 4.345 4.340 -0.000 0.000 0.212 5 L C 2.100 178.986 176.870 0.026 0.000 1.075 5 L CA 2.364 57.238 54.840 0.058 0.000 0.752 5 L CB -1.192 40.917 42.059 0.084 0.000 0.891 5 L HN 0.851 nan 8.230 nan 0.000 0.432 6 Y N 0.660 120.889 120.300 -0.117 0.000 2.114 6 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 6 Y C 2.419 178.142 175.900 -0.296 0.000 1.143 6 Y CA 2.186 60.141 58.100 -0.242 0.000 1.135 6 Y CB -0.401 37.920 38.460 -0.231 0.000 0.980 6 Y HN 0.376 nan 8.280 nan 0.000 0.499 7 E N -0.184 119.856 120.200 -0.265 0.000 2.130 7 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 7 E C 2.178 178.602 176.600 -0.293 0.000 0.998 7 E CA 1.774 57.983 56.400 -0.319 0.000 0.806 7 E CB -0.275 29.360 29.700 -0.108 0.000 0.738 7 E HN 0.578 nan 8.360 nan 0.000 0.459 8 M N 0.245 119.740 119.600 -0.176 0.000 2.086 8 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 8 M C 2.532 178.769 176.300 -0.106 0.000 1.067 8 M CA 1.470 56.720 55.300 -0.084 0.000 1.116 8 M CB -0.254 32.354 32.600 0.013 0.000 1.348 8 M HN 0.146 nan 8.290 nan 0.000 0.407 9 A N -0.011 122.674 122.820 -0.225 0.000 1.877 9 A HA -0.120 4.199 4.320 -0.000 0.000 0.216 9 A C 2.224 179.500 177.584 -0.513 0.000 1.186 9 A CA 1.785 53.602 52.037 -0.367 0.000 0.620 9 A CB -1.098 17.384 19.000 -0.864 0.000 0.822 9 A HN 0.302 nan 8.150 nan 0.000 0.443 10 V N 0.107 119.507 119.914 -0.857 0.000 2.332 10 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 10 V C 2.508 178.495 176.094 -0.178 0.000 1.055 10 V CA 2.388 64.272 62.300 -0.693 0.000 1.038 10 V CB -0.816 30.525 31.823 -0.803 0.000 0.651 10 V HN 0.774 nan 8.190 nan 0.000 0.450 11 E N -0.152 119.946 120.200 -0.170 0.000 2.058 11 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 11 E C 2.319 178.897 176.600 -0.037 0.000 0.997 11 E CA 1.680 58.038 56.400 -0.070 0.000 0.801 11 E CB -0.104 29.558 29.700 -0.064 0.000 0.746 11 E HN 0.687 nan 8.360 nan 0.000 0.450 12 Q N -0.526 119.258 119.800 -0.026 0.000 2.124 12 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 12 Q C 2.086 178.000 176.000 -0.143 0.000 0.977 12 Q CA 1.508 57.267 55.803 -0.073 0.000 0.850 12 Q CB -0.268 28.464 28.738 -0.009 0.000 0.901 12 Q HN 0.375 nan 8.270 nan 0.000 0.429 13 F N 2.256 122.094 119.950 -0.187 0.000 2.102 13 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 13 F C 1.742 177.444 175.800 -0.163 0.000 1.105 13 F CA 1.377 59.259 58.000 -0.195 0.000 1.239 13 F CB -0.230 38.811 39.000 0.068 0.000 0.991 13 F HN 0.018 nan 8.300 nan 0.000 0.474 14 N N 0.961 119.649 118.700 -0.020 0.000 2.137 14 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 14 N C 1.852 177.234 175.510 -0.214 0.000 1.017 14 N CA 1.639 54.614 53.050 -0.125 0.000 0.859 14 N CB -0.458 38.035 38.487 0.010 0.000 1.002 14 N HN 0.435 nan 8.380 nan 0.000 0.428 15 R N 0.765 121.159 120.500 -0.177 0.000 2.103 15 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 15 R C 2.254 178.431 176.300 -0.205 0.000 1.132 15 R CA 1.706 57.713 56.100 -0.154 0.000 0.925 15 R CB -0.650 29.575 30.300 -0.125 0.000 0.842 15 R HN 0.202 nan 8.270 nan 0.000 0.430 16 A N 1.272 123.926 122.820 -0.276 0.000 1.978 16 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 16 A C 2.377 179.740 177.584 -0.369 0.000 1.170 16 A CA 1.688 53.544 52.037 -0.302 0.000 0.636 16 A CB -0.639 18.184 19.000 -0.296 0.000 0.810 16 A HN 0.463 nan 8.150 nan 0.000 0.448 17 A N -0.671 121.838 122.820 -0.518 0.000 2.019 17 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 17 A C 2.353 179.790 177.584 -0.246 0.000 1.164 17 A CA 1.922 53.659 52.037 -0.500 0.000 0.644 17 A CB -0.580 17.974 19.000 -0.742 0.000 0.805 17 A HN 0.453 nan 8.150 nan 0.000 0.449 18 S N -0.231 115.356 115.700 -0.189 0.000 2.436 18 S HA 0.053 4.523 4.470 -0.000 0.000 0.228 18 S C 1.638 176.207 174.600 -0.053 0.000 1.014 18 S CA 0.485 58.627 58.200 -0.096 0.000 0.950 18 S CB -0.146 63.009 63.200 -0.075 0.000 0.784 18 S HN 0.410 nan 8.310 nan 0.000 0.504 19 L N 1.050 122.233 121.223 -0.068 0.000 2.201 19 L HA 0.106 4.446 4.340 -0.000 0.000 0.212 19 L C 0.604 177.555 176.870 0.134 0.000 1.105 19 L CA 1.337 56.189 54.840 0.020 0.000 0.775 19 L CB -1.009 41.022 42.059 -0.046 0.000 0.913 19 L HN 0.438 nan 8.230 nan 0.000 0.440 20 M N -1.837 117.783 119.600 0.033 0.000 2.508 20 M HA 0.302 4.782 4.480 -0.000 0.000 0.327 20 M C -0.188 176.134 176.300 0.038 0.000 1.160 20 M CA -0.341 55.021 55.300 0.103 0.000 0.980 20 M CB 1.312 33.919 32.600 0.011 0.000 1.693 20 M HN -0.144 nan 8.290 nan 0.000 0.452 21 D N 3.002 123.436 120.400 0.056 0.000 2.545 21 D HA 0.183 4.823 4.640 -0.000 0.000 0.227 21 D C -1.108 175.209 176.300 0.028 0.000 1.150 21 D CA 0.138 54.157 54.000 0.032 0.000 1.046 21 D CB 0.352 41.171 40.800 0.032 0.000 1.098 21 D HN 0.323 nan 8.370 nan 0.000 0.502 22 L N 2.098 123.327 121.223 0.010 0.000 2.276 22 L HA 0.161 4.501 4.340 -0.000 0.000 0.286 22 L C 0.075 176.966 176.870 0.036 0.000 1.061 22 L CA -0.553 54.299 54.840 0.021 0.000 0.807 22 L CB 1.148 43.202 42.059 -0.009 0.000 1.177 22 L HN 0.017 nan 8.230 nan 0.000 0.429 23 E N 2.417 122.647 120.200 0.051 0.000 2.493 23 E HA -0.032 4.318 4.350 -0.000 0.000 0.255 23 E C 1.187 177.823 176.600 0.061 0.000 0.999 23 E CA 0.625 57.056 56.400 0.051 0.000 0.934 23 E CB 0.691 30.422 29.700 0.052 0.000 0.940 23 E HN 0.683 nan 8.360 nan 0.000 0.473 24 S N 3.675 119.406 115.700 0.052 0.000 2.369 24 S HA -0.264 4.206 4.470 -0.000 0.000 0.225 24 S C 1.556 176.198 174.600 0.071 0.000 1.043 24 S CA 1.981 60.217 58.200 0.059 0.000 1.074 24 S CB -0.231 62.995 63.200 0.044 0.000 0.962 24 S HN 0.791 nan 8.310 nan 0.000 0.433 25 D N 0.900 121.334 120.400 0.057 0.000 2.158 25 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 25 D C 2.053 178.394 176.300 0.069 0.000 0.995 25 D CA 1.232 55.265 54.000 0.055 0.000 0.846 25 D CB -0.711 40.114 40.800 0.042 0.000 0.941 25 D HN 0.490 nan 8.370 nan 0.000 0.456 26 L N 1.098 122.368 121.223 0.079 0.000 2.072 26 L HA 0.118 4.458 4.340 -0.000 0.000 0.205 26 L C 2.573 179.527 176.870 0.141 0.000 1.079 26 L CA 1.892 56.789 54.840 0.096 0.000 0.752 26 L CB -1.018 41.097 42.059 0.094 0.000 0.906 26 L HN 0.094 nan 8.230 nan 0.000 0.436 27 A N -0.639 122.284 122.820 0.171 0.000 1.927 27 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 27 A C 2.190 179.914 177.584 0.233 0.000 1.185 27 A CA 1.946 54.151 52.037 0.280 0.000 0.639 27 A CB -0.708 18.454 19.000 0.270 0.000 0.820 27 A HN 0.549 nan 8.150 nan 0.000 0.451 28 E N -0.348 119.942 120.200 0.150 0.000 2.097 28 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 28 E C 2.332 178.985 176.600 0.089 0.000 1.000 28 E CA 1.804 58.267 56.400 0.105 0.000 0.804 28 E CB -0.713 29.032 29.700 0.075 0.000 0.740 28 E HN 0.701 nan 8.360 nan 0.000 0.454 29 V N -0.942 119.022 119.914 0.083 0.000 2.626 29 V HA -0.150 3.970 4.120 -0.000 0.000 0.252 29 V C 2.248 178.374 176.094 0.053 0.000 1.067 29 V CA 1.218 63.548 62.300 0.051 0.000 1.081 29 V CB -0.626 31.219 31.823 0.036 0.000 0.686 29 V HN 0.123 nan 8.190 nan 0.000 0.468 30 L N -0.472 120.827 121.223 0.127 0.000 2.240 30 L HA 0.027 4.367 4.340 -0.000 0.000 0.211 30 L C 3.036 180.041 176.870 0.224 0.000 1.106 30 L CA 1.394 56.351 54.840 0.194 0.000 0.793 30 L CB -0.471 41.816 42.059 0.379 0.000 0.927 30 L HN 0.276 nan 8.230 nan 0.000 0.446 31 R N 0.032 120.592 120.500 0.099 0.000 2.052 31 R HA 0.021 4.361 4.340 -0.000 0.000 0.226 31 R C 0.733 177.242 176.300 0.348 0.000 1.145 31 R CA 0.441 56.614 56.100 0.120 0.000 0.952 31 R CB -0.173 30.098 30.300 -0.048 0.000 0.847 31 R HN 0.255 nan 8.270 nan 0.000 0.431 32 R N 2.015 122.634 120.500 0.199 0.000 2.537 32 R HA 0.110 4.450 4.340 -0.000 0.000 0.280 32 R C -2.342 174.028 176.300 0.116 0.000 1.058 32 R CA -1.497 54.697 56.100 0.157 0.000 1.057 32 R CB 0.032 30.370 30.300 0.062 0.000 0.973 32 R HN 0.032 nan 8.270 nan 0.000 0.438 33 P HA 0.055 nan 4.420 nan 0.000 0.279 33 P C 0.047 177.316 177.300 -0.052 0.000 1.239 33 P CA -0.414 62.731 63.100 0.074 0.000 0.789 33 P CB 0.973 32.729 31.700 0.093 0.000 0.933 34 K N 2.812 123.146 120.400 -0.110 0.000 1.985 34 K HA -0.083 4.237 4.320 -0.000 0.000 0.210 34 K C 0.223 176.790 176.600 -0.055 0.000 1.047 34 K CA 1.404 57.639 56.287 -0.087 0.000 0.932 34 K CB 0.144 32.582 32.500 -0.103 0.000 0.716 34 K HN 0.396 nan 8.250 nan 0.000 0.439 35 R N -0.493 119.978 120.500 -0.048 0.000 2.795 35 R HA 0.471 4.811 4.340 -0.000 0.000 0.275 35 R C -1.589 174.695 176.300 -0.027 0.000 0.981 35 R CA -0.853 55.226 56.100 -0.036 0.000 0.917 35 R CB 2.771 33.048 30.300 -0.039 0.000 1.202 35 R HN -0.109 nan 8.270 nan 0.000 0.469 36 V N 3.239 123.143 119.914 -0.016 0.000 2.532 36 V HA 0.283 4.403 4.120 -0.000 0.000 0.294 36 V C -1.417 174.696 176.094 0.032 0.000 1.036 36 V CA -0.701 61.601 62.300 0.003 0.000 0.876 36 V CB 1.828 33.638 31.823 -0.022 0.000 1.012 36 V HN 0.465 nan 8.190 nan 0.000 0.432 37 L N 7.042 128.300 121.223 0.059 0.000 2.305 37 L HA 0.696 5.036 4.340 -0.000 0.000 0.284 37 L C -0.642 176.315 176.870 0.144 0.000 1.013 37 L CA 0.081 54.960 54.840 0.065 0.000 0.819 37 L CB 1.265 43.331 42.059 0.010 0.000 1.227 37 L HN 0.545 nan 8.230 nan 0.000 0.417 38 I N 6.269 126.923 120.570 0.140 0.000 2.362 38 I HA 0.496 4.666 4.170 -0.000 0.000 0.289 38 I C -0.635 175.539 176.117 0.095 0.000 0.994 38 I CA -0.955 60.443 61.300 0.163 0.000 1.158 38 I CB 1.762 39.885 38.000 0.203 0.000 1.315 38 I HN 0.420 nan 8.210 nan 0.000 0.451 39 V N 2.427 122.401 119.914 0.099 0.000 2.604 39 V HA 0.581 4.701 4.120 -0.000 0.000 0.305 39 V C -0.528 175.716 176.094 0.249 0.000 1.043 39 V CA -0.622 61.777 62.300 0.164 0.000 0.888 39 V CB 2.088 34.019 31.823 0.180 0.000 0.995 39 V HN 0.576 nan 8.190 nan 0.000 0.429 40 E N 4.821 125.142 120.200 0.203 0.000 2.101 40 E HA 0.445 4.795 4.350 -0.000 0.000 0.260 40 E C -1.153 175.569 176.600 0.202 0.000 0.897 40 E CA 0.000 56.476 56.400 0.126 0.000 0.744 40 E CB 1.778 31.498 29.700 0.034 0.000 1.140 40 E HN 0.801 nan 8.360 nan 0.000 0.419 41 F N 0.795 120.798 119.950 0.089 0.000 2.495 41 F HA 0.717 5.244 4.527 -0.000 0.000 0.327 41 F C -2.696 173.179 175.800 0.126 0.000 1.103 41 F CA -3.158 54.902 58.000 0.101 0.000 0.949 41 F CB 1.287 40.363 39.000 0.126 0.000 1.142 41 F HN 0.003 nan 8.300 nan 0.000 0.457 42 P HA 0.385 nan 4.420 nan 0.000 0.278 42 P C -1.144 176.241 177.300 0.142 0.000 1.238 42 P CA -0.485 62.653 63.100 0.063 0.000 0.794 42 P CB 1.764 33.497 31.700 0.054 0.000 0.955 43 V N 2.752 122.729 119.914 0.104 0.000 2.668 43 V HA 0.370 4.490 4.120 -0.000 0.000 0.304 43 V C 0.048 176.150 176.094 0.014 0.000 1.071 43 V CA -0.788 61.577 62.300 0.108 0.000 0.894 43 V CB 1.984 33.899 31.823 0.154 0.000 1.008 43 V HN 0.438 nan 8.190 nan 0.000 0.425 44 R N 5.125 125.617 120.500 -0.013 0.000 2.248 44 R HA 0.419 4.759 4.340 -0.000 0.000 0.328 44 R C -0.085 176.171 176.300 -0.074 0.000 1.067 44 R CA -0.472 55.594 56.100 -0.058 0.000 0.924 44 R CB 0.430 30.710 30.300 -0.032 0.000 1.013 44 R HN 0.588 nan 8.270 nan 0.000 0.454 45 M N 2.942 122.454 119.600 -0.146 0.000 2.228 45 M HA 0.021 4.501 4.480 -0.000 0.000 0.326 45 M C 0.970 177.255 176.300 -0.024 0.000 1.122 45 M CA 0.074 55.314 55.300 -0.099 0.000 1.161 45 M CB 0.663 33.143 32.600 -0.199 0.000 1.437 45 M HN 0.621 nan 8.290 nan 0.000 0.465 46 D N 1.283 121.686 120.400 0.006 0.000 2.172 46 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 46 D C 0.746 177.068 176.300 0.036 0.000 0.999 46 D CA 1.462 55.471 54.000 0.014 0.000 0.856 46 D CB -0.060 40.750 40.800 0.016 0.000 0.934 46 D HN 0.617 nan 8.370 nan 0.000 0.453 47 D N -0.821 119.626 120.400 0.079 0.000 2.519 47 D HA 0.100 4.740 4.640 -0.000 0.000 0.238 47 D C 1.349 177.714 176.300 0.108 0.000 1.192 47 D CA 0.533 54.589 54.000 0.092 0.000 0.835 47 D CB -0.263 40.599 40.800 0.104 0.000 0.975 47 D HN 0.211 nan 8.370 nan 0.000 0.490 48 G N 1.648 110.488 108.800 0.066 0.000 2.238 48 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.270 48 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.270 48 G C 0.420 175.363 174.900 0.073 0.000 0.977 48 G CA 0.931 46.061 45.100 0.050 0.000 0.639 48 G HN 0.847 nan 8.290 nan 0.000 0.544 49 H N 0.114 119.180 119.070 -0.006 0.000 2.487 49 H HA 0.628 5.184 4.556 -0.000 0.000 0.333 49 H C -0.011 175.313 175.328 -0.007 0.000 1.114 49 H CA -0.324 55.717 56.048 -0.011 0.000 1.310 49 H CB 1.388 31.138 29.762 -0.020 0.000 1.462 49 H HN 0.107 nan 8.280 nan 0.000 0.516 50 V N 3.475 123.296 119.914 -0.156 0.000 2.649 50 V HA 0.167 4.287 4.120 -0.000 0.000 0.292 50 V C 0.493 176.436 176.094 -0.252 0.000 1.055 50 V CA -0.288 61.898 62.300 -0.191 0.000 1.023 50 V CB 0.999 32.784 31.823 -0.064 0.000 0.992 50 V HN 0.892 nan 8.190 nan 0.000 0.480 51 E N 2.450 122.504 120.200 -0.243 0.000 2.263 51 E HA 0.544 4.894 4.350 -0.000 0.000 0.268 51 E C -1.636 174.801 176.600 -0.272 0.000 0.884 51 E CA -0.580 55.658 56.400 -0.270 0.000 0.766 51 E CB 2.214 31.704 29.700 -0.350 0.000 1.196 51 E HN 0.475 nan 8.360 nan 0.000 0.416 52 V N 4.806 124.520 119.914 -0.333 0.000 2.465 52 V HA 0.400 4.520 4.120 -0.000 0.000 0.279 52 V C -0.422 175.327 176.094 -0.575 0.000 1.045 52 V CA -0.167 61.935 62.300 -0.330 0.000 0.938 52 V CB 0.323 32.019 31.823 -0.212 0.000 0.986 52 V HN 0.529 nan 8.190 nan 0.000 0.467 53 F N 1.182 120.709 119.950 -0.706 0.000 2.556 53 F HA 0.591 5.118 4.527 0.000 0.000 0.327 53 F C 0.628 176.044 175.800 -0.639 0.000 1.059 53 F CA -0.601 56.964 58.000 -0.726 0.000 0.953 53 F CB 2.086 40.516 39.000 -0.949 0.000 1.227 53 F HN 0.322 nan 8.300 nan 0.000 0.478 54 T N 1.174 115.655 114.554 -0.122 0.000 2.771 54 T HA 0.670 5.020 4.350 -0.000 0.000 0.281 54 T C 0.005 174.654 174.700 -0.085 0.000 0.982 54 T CA -0.740 61.295 62.100 -0.108 0.000 0.978 54 T CB 1.216 69.983 68.868 -0.169 0.000 0.930 54 T HN 0.848 nan 8.240 nan 0.000 0.447 55 G N 1.808 110.601 108.800 -0.012 0.000 2.574 55 G HA2 0.721 4.681 3.960 -0.000 0.000 0.299 55 G HA3 0.721 4.681 3.960 -0.000 0.000 0.299 55 G C -1.976 172.826 174.900 -0.164 0.000 1.298 55 G CA -0.720 44.378 45.100 -0.004 0.000 0.952 55 G HN 0.603 nan 8.290 nan 0.000 0.477 56 Y N -0.525 119.969 120.300 0.322 0.000 2.581 56 Y HA 0.832 5.382 4.550 -0.000 0.000 0.345 56 Y C 0.073 176.119 175.900 0.244 0.000 1.036 56 Y CA -1.251 56.986 58.100 0.229 0.000 1.042 56 Y CB 2.876 41.419 38.460 0.138 0.000 1.289 56 Y HN 0.602 nan 8.280 nan 0.000 0.471 57 R N 0.795 121.472 120.500 0.296 0.000 2.508 57 R HA 0.725 5.065 4.340 -0.000 0.000 0.283 57 R C -2.632 173.712 176.300 0.075 0.000 1.120 57 R CA -0.550 55.637 56.100 0.145 0.000 0.958 57 R CB 1.444 31.753 30.300 0.015 0.000 1.215 57 R HN 0.547 nan 8.270 nan 0.000 0.427 58 V N 5.051 124.991 119.914 0.045 0.000 2.487 58 V HA 0.482 4.602 4.120 -0.000 0.000 0.298 58 V C -0.541 175.548 176.094 -0.008 0.000 1.028 58 V CA -0.709 61.597 62.300 0.010 0.000 0.860 58 V CB 1.973 33.794 31.823 -0.004 0.000 0.991 58 V HN 0.678 nan 8.190 nan 0.000 0.427 59 Q N 3.298 123.086 119.800 -0.021 0.000 2.425 59 Q HA 0.332 4.672 4.340 -0.000 0.000 0.254 59 Q C 0.680 176.670 176.000 -0.018 0.000 1.032 59 Q CA -0.464 55.317 55.803 -0.037 0.000 0.798 59 Q CB 1.371 30.071 28.738 -0.063 0.000 1.210 59 Q HN 0.854 nan 8.270 nan 0.000 0.491 60 H N 2.952 121.963 119.070 -0.097 0.000 2.284 60 H HA -0.002 4.554 4.556 -0.000 0.000 0.304 60 H C -0.201 175.059 175.328 -0.113 0.000 1.069 60 H CA 1.262 57.252 56.048 -0.097 0.000 1.327 60 H CB 0.786 30.474 29.762 -0.123 0.000 1.387 60 H HN 0.481 nan 8.280 nan 0.000 0.498 61 N N -0.821 117.698 118.700 -0.301 0.000 2.287 61 N HA 0.153 4.893 4.740 -0.000 0.000 0.289 61 N C -0.418 174.995 175.510 -0.162 0.000 1.066 61 N CA -0.389 52.467 53.050 -0.324 0.000 0.841 61 N CB 2.257 40.494 38.487 -0.416 0.000 1.599 61 N HN -0.020 nan 8.380 nan 0.000 0.476 62 V N 2.006 121.850 119.914 -0.118 0.000 3.477 62 V HA 0.308 4.428 4.120 -0.000 0.000 0.297 62 V C 1.862 177.935 176.094 -0.037 0.000 1.433 62 V CA 0.603 62.865 62.300 -0.063 0.000 1.052 62 V CB -0.188 31.605 31.823 -0.049 0.000 0.895 62 V HN 0.765 nan 8.190 nan 0.000 0.438 63 A N 1.589 124.381 122.820 -0.046 0.000 1.896 63 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 63 A C 2.315 179.900 177.584 0.001 0.000 1.206 63 A CA 2.241 54.266 52.037 -0.019 0.000 0.647 63 A CB -0.410 18.584 19.000 -0.010 0.000 0.828 63 A HN 0.497 nan 8.150 nan 0.000 0.455 64 R N -0.967 119.537 120.500 0.007 0.000 2.236 64 R HA 0.242 4.582 4.340 -0.000 0.000 0.208 64 R C 0.949 177.259 176.300 0.017 0.000 1.036 64 R CA 0.714 56.825 56.100 0.018 0.000 1.001 64 R CB -0.079 30.233 30.300 0.020 0.000 0.896 64 R HN 0.640 nan 8.270 nan 0.000 0.464 65 G N 0.715 109.530 108.800 0.026 0.000 2.327 65 G HA2 0.024 3.984 3.960 -0.000 0.000 0.291 65 G HA3 0.024 3.984 3.960 -0.000 0.000 0.291 65 G C -3.066 171.874 174.900 0.066 0.000 1.290 65 G CA -1.134 44.001 45.100 0.059 0.000 0.857 65 G HN -0.234 nan 8.290 nan 0.000 0.520 66 P HA 0.386 nan 4.420 nan 0.000 0.264 66 P C 0.393 177.658 177.300 -0.059 0.000 1.193 66 P CA 0.759 63.871 63.100 0.021 0.000 0.763 66 P CB 0.771 32.469 31.700 -0.003 0.000 0.810 67 A N 3.547 126.301 122.820 -0.111 0.000 2.546 67 A HA 0.154 4.474 4.320 -0.000 0.000 0.243 67 A C 0.471 177.882 177.584 -0.289 0.000 1.063 67 A CA 0.547 52.491 52.037 -0.156 0.000 0.757 67 A CB -0.422 18.500 19.000 -0.130 0.000 0.991 67 A HN 0.482 nan 8.150 nan 0.000 0.503 68 K N 1.102 121.311 120.400 -0.319 0.000 2.324 68 K HA 0.703 5.023 4.320 -0.000 0.000 0.253 68 K C -0.330 176.111 176.600 -0.265 0.000 0.932 68 K CA 0.421 56.425 56.287 -0.471 0.000 0.799 68 K CB 1.803 33.842 32.500 -0.770 0.000 1.154 68 K HN 1.445 nan 8.250 nan 0.000 0.425 69 G N 1.089 109.754 108.800 -0.225 0.000 2.429 69 G HA2 0.430 4.390 3.960 -0.000 0.000 0.300 69 G HA3 0.430 4.390 3.960 -0.000 0.000 0.300 69 G C -0.665 174.188 174.900 -0.078 0.000 1.598 69 G CA -0.398 44.631 45.100 -0.119 0.000 0.863 69 G HN 0.725 nan 8.290 nan 0.000 0.614 70 G N -0.832 107.944 108.800 -0.040 0.000 2.616 70 G HA2 0.593 4.553 3.960 -0.000 0.000 0.268 70 G HA3 0.593 4.553 3.960 -0.000 0.000 0.268 70 G C -0.168 174.746 174.900 0.024 0.000 1.213 70 G CA -0.619 44.472 45.100 -0.015 0.000 0.926 70 G HN 0.738 nan 8.290 nan 0.000 0.523 71 I N -0.041 120.548 120.570 0.032 0.000 2.509 71 I HA 0.395 4.565 4.170 -0.000 0.000 0.293 71 I C -0.023 176.065 176.117 -0.048 0.000 1.020 71 I CA -0.644 60.690 61.300 0.057 0.000 1.088 71 I CB 2.264 40.363 38.000 0.165 0.000 1.267 71 I HN 0.350 nan 8.210 nan 0.000 0.430 72 R N 5.112 125.614 120.500 0.004 0.000 2.664 72 R HA 0.536 4.876 4.340 -0.000 0.000 0.286 72 R C -1.455 174.937 176.300 0.154 0.000 0.967 72 R CA -0.694 55.421 56.100 0.025 0.000 0.933 72 R CB 1.992 32.345 30.300 0.088 0.000 1.146 72 R HN 0.544 nan 8.270 nan 0.000 0.468 73 Y N 2.547 122.901 120.300 0.090 0.000 2.376 73 Y HA 0.305 4.855 4.550 -0.000 0.000 0.326 73 Y C -0.122 175.891 175.900 0.187 0.000 0.970 73 Y CA -0.691 57.463 58.100 0.090 0.000 1.248 73 Y CB 1.205 39.699 38.460 0.055 0.000 1.117 73 Y HN 0.461 nan 8.280 nan 0.000 0.476 74 H N 5.184 124.377 119.070 0.204 0.000 3.123 74 H HA 0.113 4.669 4.556 -0.000 0.000 0.346 74 H C -2.429 172.972 175.328 0.121 0.000 1.138 74 H CA -1.840 54.291 56.048 0.138 0.000 1.273 74 H CB 3.328 33.162 29.762 0.121 0.000 1.926 74 H HN 0.279 nan 8.280 nan 0.000 0.524 75 P HA -0.082 nan 4.420 nan 0.000 0.220 75 P C -0.207 177.030 177.300 -0.104 0.000 1.148 75 P CA 0.922 63.930 63.100 -0.154 0.000 0.803 75 P CB 0.579 32.160 31.700 -0.197 0.000 0.782 76 D N 0.594 120.882 120.400 -0.188 0.000 2.505 76 D HA 0.296 4.936 4.640 -0.000 0.000 0.242 76 D C -0.630 175.832 176.300 0.270 0.000 1.136 76 D CA -0.180 53.861 54.000 0.069 0.000 0.954 76 D CB 1.302 42.158 40.800 0.093 0.000 1.002 76 D HN -0.085 nan 8.370 nan 0.000 0.512 77 V N 2.114 122.155 119.914 0.212 0.000 2.488 77 V HA 0.232 4.352 4.120 -0.000 0.000 0.293 77 V C 0.077 176.274 176.094 0.171 0.000 1.027 77 V CA -0.591 61.843 62.300 0.222 0.000 0.862 77 V CB 2.037 34.031 31.823 0.285 0.000 1.008 77 V HN 0.324 nan 8.190 nan 0.000 0.428 78 T N 3.726 118.315 114.554 0.059 0.000 2.907 78 T HA 0.409 4.759 4.350 -0.000 0.000 0.284 78 T C 1.001 175.540 174.700 -0.269 0.000 1.004 78 T CA -0.530 61.542 62.100 -0.047 0.000 1.063 78 T CB 2.125 70.982 68.868 -0.019 0.000 0.992 78 T HN 0.389 nan 8.240 nan 0.000 0.483 79 L N 1.513 122.428 121.223 -0.514 0.000 2.043 79 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 79 L C 2.017 178.685 176.870 -0.335 0.000 1.075 79 L CA 2.084 56.510 54.840 -0.690 0.000 0.752 79 L CB -0.940 40.802 42.059 -0.529 0.000 0.891 79 L HN 0.882 nan 8.230 nan 0.000 0.432 80 D N -0.829 119.446 120.400 -0.209 0.000 2.133 80 D HA -0.297 4.343 4.640 -0.000 0.000 0.195 80 D C 2.144 178.408 176.300 -0.060 0.000 0.997 80 D CA 1.636 55.561 54.000 -0.125 0.000 0.840 80 D CB -0.112 40.656 40.800 -0.053 0.000 0.947 80 D HN 0.619 nan 8.370 nan 0.000 0.452 81 E N -0.629 119.545 120.200 -0.043 0.000 2.077 81 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 81 E C 2.118 178.728 176.600 0.017 0.000 0.989 81 E CA 1.084 57.495 56.400 0.019 0.000 0.800 81 E CB 0.092 29.813 29.700 0.036 0.000 0.746 81 E HN 0.187 nan 8.360 nan 0.000 0.452 82 V N 1.443 121.328 119.914 -0.049 0.000 2.261 82 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 82 V C 2.336 178.413 176.094 -0.028 0.000 1.047 82 V CA 2.126 64.407 62.300 -0.031 0.000 1.015 82 V CB -0.498 31.274 31.823 -0.085 0.000 0.642 82 V HN 0.247 nan 8.190 nan 0.000 0.446 83 K N 0.158 120.498 120.400 -0.100 0.000 2.044 83 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 83 K C 2.313 178.926 176.600 0.020 0.000 1.049 83 K CA 1.681 57.890 56.287 -0.129 0.000 0.927 83 K CB -0.497 31.755 32.500 -0.413 0.000 0.713 83 K HN 0.492 nan 8.250 nan 0.000 0.443 84 A N 1.486 124.356 122.820 0.082 0.000 1.858 84 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 84 A C 2.163 179.765 177.584 0.030 0.000 1.190 84 A CA 1.347 53.411 52.037 0.044 0.000 0.617 84 A CB -0.727 18.326 19.000 0.088 0.000 0.827 84 A HN 0.175 nan 8.150 nan 0.000 0.443 85 L N -0.799 120.527 121.223 0.172 0.000 2.083 85 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 85 L C 3.070 180.038 176.870 0.164 0.000 1.083 85 L CA 1.051 56.054 54.840 0.271 0.000 0.752 85 L CB -0.576 41.594 42.059 0.185 0.000 0.899 85 L HN 0.459 nan 8.230 nan 0.000 0.433 86 A N -0.198 122.659 122.820 0.062 0.000 1.898 86 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 86 A C 2.164 179.681 177.584 -0.110 0.000 1.181 86 A CA 1.275 53.313 52.037 0.002 0.000 0.620 86 A CB -0.782 18.226 19.000 0.012 0.000 0.819 86 A HN 0.365 nan 8.150 nan 0.000 0.442 87 F N -0.572 119.143 119.950 -0.392 0.000 2.091 87 F HA -0.238 4.289 4.527 0.000 0.000 0.299 87 F C 2.063 177.519 175.800 -0.574 0.000 1.103 87 F CA 1.866 59.395 58.000 -0.785 0.000 1.228 87 F CB -0.579 37.989 39.000 -0.721 0.000 0.984 87 F HN 0.438 nan 8.300 nan 0.000 0.477 88 W N -0.433 120.863 121.300 -0.007 0.000 2.335 88 W HA -0.285 4.375 4.660 0.000 0.000 0.311 88 W C 2.447 178.898 176.519 -0.113 0.000 1.213 88 W CA 0.522 57.896 57.345 0.049 0.000 1.274 88 W CB -0.504 29.051 29.460 0.159 0.000 1.148 88 W HN -0.028 nan 8.180 nan 0.000 0.498 89 M N 0.157 119.812 119.600 0.092 0.000 2.082 89 M HA -0.213 4.267 4.480 -0.000 0.000 0.258 89 M C 1.897 178.119 176.300 -0.130 0.000 1.069 89 M CA 2.015 57.310 55.300 -0.009 0.000 1.102 89 M CB -1.988 30.590 32.600 -0.038 0.000 1.336 89 M HN -0.034 nan 8.290 nan 0.000 0.404 90 T N -0.416 113.915 114.554 -0.373 0.000 2.635 90 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 90 T C 1.541 176.003 174.700 -0.396 0.000 1.040 90 T CA 2.003 63.775 62.100 -0.546 0.000 1.156 90 T CB -0.519 67.725 68.868 -1.040 0.000 0.863 90 T HN 0.574 nan 8.240 nan 0.000 0.430 91 W N 1.183 122.492 121.300 0.014 0.000 2.436 91 W HA 0.129 4.789 4.660 -0.000 0.000 0.284 91 W C 2.595 179.144 176.519 0.050 0.000 1.225 91 W CA 0.018 57.401 57.345 0.064 0.000 1.271 91 W CB -0.093 29.473 29.460 0.176 0.000 1.114 91 W HN 0.158 nan 8.180 nan 0.000 0.559 92 K N 0.741 121.267 120.400 0.210 0.000 2.057 92 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 92 K C 2.165 178.806 176.600 0.069 0.000 1.050 92 K CA 2.129 58.484 56.287 0.114 0.000 0.935 92 K CB -0.341 32.212 32.500 0.090 0.000 0.715 92 K HN 0.126 nan 8.250 nan 0.000 0.439 93 T N -1.133 113.453 114.554 0.054 0.000 2.737 93 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 93 T C 2.060 176.781 174.700 0.034 0.000 1.038 93 T CA 0.971 63.099 62.100 0.047 0.000 1.144 93 T CB -0.498 68.413 68.868 0.071 0.000 0.866 93 T HN 0.213 nan 8.240 nan 0.000 0.434 94 A N 1.208 124.071 122.820 0.071 0.000 1.892 94 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 94 A C 2.667 180.297 177.584 0.076 0.000 1.188 94 A CA 1.826 53.921 52.037 0.097 0.000 0.631 94 A CB -1.390 17.737 19.000 0.212 0.000 0.822 94 A HN 0.418 nan 8.150 nan 0.000 0.447 95 V N -0.384 119.579 119.914 0.081 0.000 2.407 95 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 95 V C 2.253 178.358 176.094 0.018 0.000 1.055 95 V CA 2.263 64.583 62.300 0.034 0.000 1.049 95 V CB -0.440 31.382 31.823 -0.001 0.000 0.662 95 V HN 0.542 nan 8.190 nan 0.000 0.455 96 M N -0.584 119.025 119.600 0.016 0.000 2.562 96 M HA 0.081 4.561 4.480 -0.000 0.000 0.257 96 M C 1.152 177.445 176.300 -0.011 0.000 1.099 96 M CA 0.762 56.067 55.300 0.008 0.000 1.099 96 M CB -1.805 30.794 32.600 -0.002 0.000 1.427 96 M HN 0.688 nan 8.290 nan 0.000 0.489 97 N N 1.372 120.059 118.700 -0.021 0.000 2.780 97 N HA -0.152 4.588 4.740 -0.000 0.000 0.247 97 N C -1.303 174.125 175.510 -0.137 0.000 1.076 97 N CA -0.158 52.867 53.050 -0.041 0.000 0.688 97 N CB -0.749 37.733 38.487 -0.008 0.000 0.957 97 N HN 0.272 nan 8.380 nan 0.000 0.551 98 L N 0.859 121.953 121.223 -0.215 0.000 2.322 98 L HA 0.511 4.851 4.340 -0.000 0.000 0.279 98 L C -1.527 175.049 176.870 -0.490 0.000 1.036 98 L CA -1.772 52.761 54.840 -0.512 0.000 0.807 98 L CB 1.237 43.000 42.059 -0.492 0.000 1.226 98 L HN 0.008 nan 8.230 nan 0.000 0.433 99 P HA 0.116 nan 4.420 nan 0.000 0.238 99 P C -0.841 176.174 177.300 -0.475 0.000 1.714 99 P CA 0.532 63.372 63.100 -0.434 0.000 0.908 99 P CB -0.454 31.080 31.700 -0.276 0.000 1.893 100 F N -0.637 119.216 119.950 -0.162 0.000 2.611 100 F HA 0.644 5.171 4.527 -0.000 0.000 0.324 100 F C 1.300 177.013 175.800 -0.144 0.000 1.061 100 F CA -1.142 56.747 58.000 -0.186 0.000 0.954 100 F CB 2.066 40.933 39.000 -0.222 0.000 1.301 100 F HN -0.033 nan 8.300 nan 0.000 0.482 101 G N -0.344 108.505 108.800 0.081 0.000 2.857 101 G HA2 0.577 4.537 3.960 -0.000 0.000 0.217 101 G HA3 0.577 4.537 3.960 -0.000 0.000 0.217 101 G C -1.029 173.821 174.900 -0.084 0.000 1.357 101 G CA -0.824 44.255 45.100 -0.034 0.000 1.033 101 G HN 0.850 nan 8.290 nan 0.000 0.571 102 G N -1.460 107.272 108.800 -0.112 0.000 2.544 102 G HA2 0.665 4.625 3.960 -0.000 0.000 0.313 102 G HA3 0.665 4.625 3.960 -0.000 0.000 0.313 102 G C -0.430 174.424 174.900 -0.076 0.000 1.316 102 G CA 0.171 45.203 45.100 -0.113 0.000 0.944 102 G HN 1.074 nan 8.290 nan 0.000 0.489 103 G N 0.713 109.464 108.800 -0.082 0.000 2.692 103 G HA2 0.725 4.685 3.960 -0.000 0.000 0.291 103 G HA3 0.725 4.685 3.960 -0.000 0.000 0.291 103 G C -1.637 173.240 174.900 -0.038 0.000 1.423 103 G CA -0.648 44.414 45.100 -0.063 0.000 0.843 103 G HN 0.547 nan 8.290 nan 0.000 0.486 104 K N -1.177 119.219 120.400 -0.006 0.000 2.625 104 K HA 0.741 5.060 4.320 -0.000 0.000 0.284 104 K C -0.580 176.065 176.600 0.075 0.000 0.984 104 K CA -0.294 56.011 56.287 0.030 0.000 0.865 104 K CB 2.052 34.578 32.500 0.044 0.000 1.468 104 K HN 1.261 nan 8.250 nan 0.000 0.407 105 G N -0.806 108.068 108.800 0.124 0.000 2.684 105 G HA2 0.777 4.737 3.960 -0.000 0.000 0.290 105 G HA3 0.777 4.737 3.960 -0.000 0.000 0.290 105 G C -1.107 173.936 174.900 0.239 0.000 1.425 105 G CA -0.207 45.033 45.100 0.234 0.000 0.822 105 G HN 0.702 nan 8.290 nan 0.000 0.482 106 G N -1.814 107.165 108.800 0.298 0.000 2.556 106 G HA2 0.608 4.568 3.960 -0.000 0.000 0.294 106 G HA3 0.608 4.568 3.960 -0.000 0.000 0.294 106 G C -1.907 173.071 174.900 0.130 0.000 1.516 106 G CA -0.270 44.954 45.100 0.206 0.000 0.824 106 G HN 1.256 nan 8.290 nan 0.000 0.535 107 V N 0.797 120.769 119.914 0.096 0.000 2.540 107 V HA 0.547 4.667 4.120 -0.000 0.000 0.302 107 V C 0.533 176.715 176.094 0.147 0.000 1.035 107 V CA -0.942 61.374 62.300 0.026 0.000 0.873 107 V CB 1.766 33.517 31.823 -0.120 0.000 0.992 107 V HN 0.807 nan 8.190 nan 0.000 0.428 108 R N 3.250 123.833 120.500 0.140 0.000 2.441 108 R HA 0.538 4.878 4.340 -0.000 0.000 0.300 108 R C -1.044 175.347 176.300 0.152 0.000 1.284 108 R CA 0.182 56.372 56.100 0.150 0.000 1.069 108 R CB 0.422 30.799 30.300 0.129 0.000 1.087 108 R HN 0.576 nan 8.270 nan 0.000 0.519 109 V N 3.208 123.195 119.914 0.121 0.000 3.077 109 V HA 0.185 4.305 4.120 -0.000 0.000 0.299 109 V C -1.848 174.276 176.094 0.050 0.000 1.276 109 V CA -0.980 61.394 62.300 0.124 0.000 0.993 109 V CB 2.364 34.209 31.823 0.037 0.000 1.076 109 V HN 0.674 nan 8.190 nan 0.000 0.434 110 D N 7.098 127.526 120.400 0.046 0.000 2.443 110 D HA 0.463 5.103 4.640 -0.000 0.000 0.221 110 D C -1.321 174.997 176.300 0.030 0.000 1.097 110 D CA -2.037 51.977 54.000 0.024 0.000 0.865 110 D CB 2.086 42.888 40.800 0.003 0.000 1.034 110 D HN 0.440 nan 8.370 nan 0.000 0.511 111 P HA -0.181 nan 4.420 nan 0.000 0.218 111 P C 0.867 178.190 177.300 0.039 0.000 1.146 111 P CA 0.894 64.007 63.100 0.023 0.000 0.813 111 P CB 0.452 32.203 31.700 0.085 0.000 0.778 112 K N -0.219 120.209 120.400 0.046 0.000 2.362 112 K HA -0.066 4.254 4.320 -0.000 0.000 0.200 112 K C 1.657 178.277 176.600 0.033 0.000 1.046 112 K CA 0.818 57.130 56.287 0.040 0.000 0.952 112 K CB -0.027 32.497 32.500 0.039 0.000 0.753 112 K HN 0.111 nan 8.250 nan 0.000 0.466 113 K N 0.347 120.766 120.400 0.033 0.000 2.374 113 K HA 0.182 4.502 4.320 -0.000 0.000 0.196 113 K C 0.525 177.149 176.600 0.041 0.000 1.023 113 K CA 0.246 56.553 56.287 0.034 0.000 1.103 113 K CB 0.388 32.909 32.500 0.035 0.000 0.848 113 K HN 0.109 nan 8.250 nan 0.000 0.528 114 L N 1.473 122.716 121.223 0.034 0.000 2.334 114 L HA 0.264 4.604 4.340 -0.000 0.000 0.273 114 L C 0.369 177.252 176.870 0.022 0.000 1.013 114 L CA -0.775 54.080 54.840 0.026 0.000 0.816 114 L CB 1.853 43.908 42.059 -0.007 0.000 1.278 114 L HN -0.050 nan 8.230 nan 0.000 0.431 115 S N 0.816 116.526 115.700 0.016 0.000 2.610 115 S HA 0.304 4.774 4.470 -0.000 0.000 0.273 115 S C 0.789 175.399 174.600 0.017 0.000 1.274 115 S CA -0.765 57.447 58.200 0.019 0.000 1.023 115 S CB 1.983 65.191 63.200 0.013 0.000 0.962 115 S HN 0.651 nan 8.310 nan 0.000 0.523 116 R N 2.135 122.661 120.500 0.043 0.000 2.159 116 R HA -0.244 4.096 4.340 -0.000 0.000 0.249 116 R C 1.581 177.869 176.300 -0.020 0.000 1.136 116 R CA 2.710 58.858 56.100 0.080 0.000 0.951 116 R CB -1.469 28.889 30.300 0.098 0.000 0.876 116 R HN 0.857 nan 8.270 nan 0.000 0.440 117 N N 0.063 118.731 118.700 -0.054 0.000 2.043 117 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 117 N C 1.578 176.991 175.510 -0.161 0.000 1.037 117 N CA 1.945 54.921 53.050 -0.124 0.000 0.851 117 N CB -0.194 38.247 38.487 -0.076 0.000 1.027 117 N HN 0.458 nan 8.380 nan 0.000 0.422 118 E N -0.038 120.102 120.200 -0.100 0.000 2.085 118 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 118 E C 1.802 178.306 176.600 -0.161 0.000 0.994 118 E CA 0.622 56.961 56.400 -0.103 0.000 0.801 118 E CB -0.166 29.506 29.700 -0.047 0.000 0.743 118 E HN 0.193 nan 8.360 nan 0.000 0.453 119 L N 1.611 122.751 121.223 -0.139 0.000 2.017 119 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 119 L C 2.361 179.084 176.870 -0.245 0.000 1.073 119 L CA 1.930 56.696 54.840 -0.124 0.000 0.745 119 L CB -0.362 41.739 42.059 0.070 0.000 0.894 119 L HN 0.090 nan 8.230 nan 0.000 0.432 120 E N -0.616 119.220 120.200 -0.605 0.000 2.049 120 E HA -0.302 4.047 4.350 -0.000 0.000 0.198 120 E C 2.360 178.624 176.600 -0.560 0.000 1.007 120 E CA 1.620 57.285 56.400 -1.225 0.000 0.809 120 E CB -0.134 28.715 29.700 -1.419 0.000 0.749 120 E HN 0.440 nan 8.360 nan 0.000 0.450 121 R N 0.261 120.550 120.500 -0.351 0.000 2.091 121 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 121 R C 2.708 178.961 176.300 -0.077 0.000 1.136 121 R CA 1.503 57.497 56.100 -0.177 0.000 0.959 121 R CB -0.505 29.721 30.300 -0.124 0.000 0.856 121 R HN 0.323 nan 8.270 nan 0.000 0.437 122 L N 0.433 121.590 121.223 -0.110 0.000 2.017 122 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 122 L C 2.056 178.984 176.870 0.097 0.000 1.073 122 L CA 1.734 56.544 54.840 -0.050 0.000 0.745 122 L CB -0.246 41.597 42.059 -0.359 0.000 0.894 122 L HN 0.065 nan 8.230 nan 0.000 0.432 123 S N -0.118 115.652 115.700 0.118 0.000 2.370 123 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 123 S C 1.934 176.802 174.600 0.447 0.000 1.033 123 S CA 1.565 60.015 58.200 0.416 0.000 1.011 123 S CB -0.369 63.059 63.200 0.378 0.000 0.852 123 S HN 0.462 nan 8.310 nan 0.000 0.457 124 R N 0.696 121.315 120.500 0.198 0.000 2.066 124 R HA 0.016 4.356 4.340 -0.000 0.000 0.232 124 R C 2.566 178.963 176.300 0.162 0.000 1.131 124 R CA 1.274 57.483 56.100 0.183 0.000 0.955 124 R CB -0.274 30.048 30.300 0.038 0.000 0.851 124 R HN 0.128 nan 8.270 nan 0.000 0.432 125 R N 0.795 121.358 120.500 0.106 0.000 2.096 125 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 125 R C 1.845 178.081 176.300 -0.106 0.000 1.127 125 R CA 1.327 57.461 56.100 0.056 0.000 0.968 125 R CB -0.775 29.625 30.300 0.167 0.000 0.861 125 R HN 0.169 nan 8.270 nan 0.000 0.440 126 F N -0.202 119.542 119.950 -0.344 0.000 2.075 126 F HA -0.105 4.421 4.527 -0.000 0.000 0.297 126 F C 1.752 177.446 175.800 -0.176 0.000 1.113 126 F CA 1.395 59.067 58.000 -0.548 0.000 1.218 126 F CB -0.860 37.971 39.000 -0.281 0.000 0.984 126 F HN 0.053 nan 8.300 nan 0.000 0.472 127 F N 0.690 120.460 119.950 -0.300 0.000 2.269 127 F HA -0.140 4.387 4.527 -0.000 0.000 0.301 127 F C 2.584 178.226 175.800 -0.264 0.000 1.082 127 F CA 1.502 59.251 58.000 -0.420 0.000 1.360 127 F CB -0.797 38.101 39.000 -0.170 0.000 1.041 127 F HN -0.047 nan 8.300 nan 0.000 0.512 128 S N -0.673 114.995 115.700 -0.054 0.000 2.406 128 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 128 S C 1.914 176.418 174.600 -0.159 0.000 1.020 128 S CA 0.786 58.946 58.200 -0.066 0.000 0.965 128 S CB -0.115 63.082 63.200 -0.005 0.000 0.798 128 S HN 0.355 nan 8.310 nan 0.000 0.488 129 E N 1.605 121.660 120.200 -0.241 0.000 2.051 129 E HA -0.015 4.335 4.350 -0.000 0.000 0.189 129 E C 2.014 178.434 176.600 -0.300 0.000 0.979 129 E CA 0.857 57.119 56.400 -0.230 0.000 0.803 129 E CB -0.298 29.271 29.700 -0.219 0.000 0.761 129 E HN 0.708 nan 8.360 nan 0.000 0.451 130 I N -0.884 119.378 120.570 -0.514 0.000 3.564 130 I HA 0.026 4.196 4.170 -0.000 0.000 0.294 130 I C 2.253 178.079 176.117 -0.484 0.000 1.289 130 I CA 0.387 61.383 61.300 -0.508 0.000 1.325 130 I CB -0.128 37.453 38.000 -0.699 0.000 1.039 130 I HN -0.052 nan 8.210 nan 0.000 0.474 131 Q N 1.763 121.299 119.800 -0.439 0.000 2.135 131 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 131 Q C 2.157 178.054 176.000 -0.172 0.000 0.981 131 Q CA 2.509 58.126 55.803 -0.310 0.000 0.856 131 Q CB -0.022 28.633 28.738 -0.138 0.000 0.902 131 Q HN 0.567 nan 8.270 nan 0.000 0.425 132 V N 0.736 120.561 119.914 -0.149 0.000 2.439 132 V HA -0.288 3.832 4.120 -0.000 0.000 0.253 132 V C 2.045 178.083 176.094 -0.094 0.000 1.074 132 V CA 1.824 64.068 62.300 -0.094 0.000 1.076 132 V CB -0.447 31.326 31.823 -0.083 0.000 0.664 132 V HN 0.450 nan 8.190 nan 0.000 0.461 133 I N -0.883 119.600 120.570 -0.145 0.000 3.708 133 I HA 0.169 4.339 4.170 -0.000 0.000 0.302 133 I C 1.146 177.165 176.117 -0.163 0.000 1.255 133 I CA 0.145 61.365 61.300 -0.133 0.000 1.362 133 I CB 0.306 38.228 38.000 -0.131 0.000 1.100 133 I HN 0.296 nan 8.210 nan 0.000 0.434 134 I N -0.637 119.781 120.570 -0.253 0.000 3.468 134 I HA 0.782 4.952 4.170 -0.000 0.000 0.299 134 I C 0.322 176.304 176.117 -0.226 0.000 1.141 134 I CA -0.409 60.705 61.300 -0.310 0.000 0.950 134 I CB 0.678 38.345 38.000 -0.555 0.000 1.522 134 I HN 0.026 nan 8.210 nan 0.000 0.699 135 G N 0.836 109.470 108.800 -0.278 0.000 2.368 135 G HA2 0.195 4.155 3.960 -0.000 0.000 0.303 135 G HA3 0.195 4.155 3.960 -0.000 0.000 0.303 135 G C -2.637 172.193 174.900 -0.116 0.000 1.590 135 G CA -0.318 44.694 45.100 -0.146 0.000 0.938 135 G HN 0.464 nan 8.290 nan 0.000 0.675 136 P HA -0.117 nan 4.420 nan 0.000 0.221 136 P C 0.458 177.676 177.300 -0.136 0.000 1.145 136 P CA 1.429 64.485 63.100 -0.073 0.000 0.795 136 P CB 0.076 31.673 31.700 -0.171 0.000 0.775 137 Y N -1.795 118.650 120.300 0.241 0.000 2.612 137 Y HA 0.256 4.806 4.550 -0.000 0.000 0.250 137 Y C 1.810 177.770 175.900 0.099 0.000 1.175 137 Y CA -0.482 57.757 58.100 0.231 0.000 1.205 137 Y CB 0.217 38.808 38.460 0.219 0.000 1.201 137 Y HN -0.079 nan 8.280 nan 0.000 0.532 138 N N -0.702 118.061 118.700 0.104 0.000 2.804 138 N HA 0.038 4.778 4.740 -0.000 0.000 0.250 138 N C -0.749 174.715 175.510 -0.075 0.000 1.024 138 N CA 0.644 53.707 53.050 0.022 0.000 0.995 138 N CB 0.728 39.218 38.487 0.006 0.000 1.690 138 N HN 0.014 nan 8.380 nan 0.000 0.515 139 D N 0.294 120.606 120.400 -0.146 0.000 2.891 139 D HA 0.361 5.001 4.640 -0.000 0.000 0.224 139 D C -1.315 174.824 176.300 -0.268 0.000 1.321 139 D CA -0.269 53.605 54.000 -0.211 0.000 0.929 139 D CB 1.389 42.069 40.800 -0.200 0.000 1.551 139 D HN -0.001 nan 8.370 nan 0.000 0.574 140 I N 4.949 125.322 120.570 -0.330 0.000 2.388 140 I HA 0.297 4.467 4.170 -0.000 0.000 0.281 140 I C -2.165 173.799 176.117 -0.256 0.000 1.046 140 I CA -1.808 59.299 61.300 -0.322 0.000 1.187 140 I CB 1.517 39.209 38.000 -0.514 0.000 1.351 140 I HN 0.023 nan 8.210 nan 0.000 0.472 141 P HA 0.361 nan 4.420 nan 0.000 0.274 141 P C -0.545 176.724 177.300 -0.051 0.000 1.260 141 P CA -0.201 62.864 63.100 -0.058 0.000 0.793 141 P CB 0.821 32.558 31.700 0.063 0.000 1.048 142 A N -0.373 122.434 122.820 -0.021 0.000 2.586 142 A HA 0.673 4.993 4.320 -0.000 0.000 0.290 142 A C -2.890 174.686 177.584 -0.012 0.000 1.086 142 A CA -1.284 50.736 52.037 -0.029 0.000 0.665 142 A CB 0.603 19.559 19.000 -0.074 0.000 1.279 142 A HN 0.306 nan 8.150 nan 0.000 0.423 143 P HA 0.447 nan 4.420 nan 0.000 0.274 143 P C -0.951 176.315 177.300 -0.056 0.000 1.246 143 P CA 0.598 63.659 63.100 -0.065 0.000 0.795 143 P CB 1.360 33.008 31.700 -0.087 0.000 1.006 144 D N -0.778 119.581 120.400 -0.069 0.000 4.243 144 D HA 0.078 4.718 4.640 -0.000 0.000 0.333 144 D C -0.981 175.290 176.300 -0.049 0.000 1.611 144 D CA -0.264 53.708 54.000 -0.047 0.000 0.979 144 D CB 0.312 41.094 40.800 -0.030 0.000 1.457 144 D HN -0.010 nan 8.370 nan 0.000 0.646 145 V N 2.975 122.868 119.914 -0.035 0.000 2.485 145 V HA 0.189 4.309 4.120 -0.000 0.000 0.287 145 V C 0.313 176.414 176.094 0.012 0.000 1.022 145 V CA 0.368 62.655 62.300 -0.022 0.000 1.067 145 V CB -0.017 31.775 31.823 -0.052 0.000 0.967 145 V HN 0.603 nan 8.190 nan 0.000 0.479 146 N N 2.023 120.740 118.700 0.029 0.000 2.782 146 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 146 N C 0.284 175.819 175.510 0.041 0.000 1.101 146 N CA 1.507 54.605 53.050 0.080 0.000 0.764 146 N CB -1.227 37.374 38.487 0.190 0.000 1.122 146 N HN 0.994 nan 8.380 nan 0.000 0.561 147 T N -1.689 112.816 114.554 -0.082 0.000 2.881 147 T HA 0.694 5.044 4.350 -0.000 0.000 0.290 147 T C -0.040 174.565 174.700 -0.158 0.000 1.000 147 T CA -0.935 61.051 62.100 -0.190 0.000 0.978 147 T CB 2.753 71.414 68.868 -0.347 0.000 0.997 147 T HN 0.268 nan 8.240 nan 0.000 0.443 148 N N 1.368 119.950 118.700 -0.197 0.000 3.038 148 N HA 0.639 5.379 4.740 -0.000 0.000 0.307 148 N C 1.448 176.808 175.510 -0.250 0.000 1.441 148 N CA -0.623 52.316 53.050 -0.185 0.000 0.772 148 N CB 0.411 38.806 38.487 -0.154 0.000 1.651 148 N HN 0.615 nan 8.380 nan 0.000 0.593 149 A N -0.196 122.497 122.820 -0.211 0.000 1.958 149 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 149 A C 1.219 178.597 177.584 -0.343 0.000 1.178 149 A CA 2.353 54.254 52.037 -0.227 0.000 0.642 149 A CB -1.241 17.656 19.000 -0.172 0.000 0.816 149 A HN 0.764 nan 8.150 nan 0.000 0.453 150 D N -0.558 119.586 120.400 -0.427 0.000 2.097 150 D HA -0.087 4.553 4.640 -0.000 0.000 0.195 150 D C 1.978 177.596 176.300 -1.136 0.000 0.989 150 D CA 1.470 55.057 54.000 -0.688 0.000 0.827 150 D CB -0.369 40.051 40.800 -0.633 0.000 0.966 150 D HN 0.251 nan 8.370 nan 0.000 0.456 151 V N 1.041 120.390 119.914 -0.941 0.000 2.358 151 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 151 V C 2.327 177.938 176.094 -0.805 0.000 1.047 151 V CA 0.911 62.686 62.300 -0.876 0.000 1.035 151 V CB -0.330 31.195 31.823 -0.497 0.000 0.658 151 V HN 0.208 nan 8.190 nan 0.000 0.452 152 I N 0.862 121.081 120.570 -0.586 0.000 2.264 152 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 152 I C 2.666 178.617 176.117 -0.276 0.000 1.111 152 I CA 1.929 63.008 61.300 -0.367 0.000 1.382 152 I CB -1.540 36.344 38.000 -0.192 0.000 1.060 152 I HN 0.320 nan 8.210 nan 0.000 0.418 153 A N 0.054 122.678 122.820 -0.327 0.000 1.933 153 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 153 A C 2.086 179.632 177.584 -0.063 0.000 1.175 153 A CA 1.120 53.036 52.037 -0.200 0.000 0.628 153 A CB -0.828 18.019 19.000 -0.255 0.000 0.814 153 A HN 0.449 nan 8.150 nan 0.000 0.444 154 W N -0.740 120.452 121.300 -0.180 0.000 2.358 154 W HA -0.140 4.520 4.660 -0.000 0.000 0.303 154 W C 2.233 178.702 176.519 -0.083 0.000 1.208 154 W CA 0.680 57.944 57.345 -0.135 0.000 1.274 154 W CB -1.537 27.814 29.460 -0.181 0.000 1.138 154 W HN 0.564 nan 8.180 nan 0.000 0.515 155 Y N -0.400 119.847 120.300 -0.087 0.000 2.070 155 Y HA -0.376 4.174 4.550 -0.000 0.000 0.280 155 Y C 2.879 178.641 175.900 -0.230 0.000 1.148 155 Y CA 1.203 58.961 58.100 -0.570 0.000 1.125 155 Y CB -0.893 36.812 38.460 -1.257 0.000 0.975 155 Y HN -0.232 nan 8.280 nan 0.000 0.492 156 M N 0.883 120.514 119.600 0.052 0.000 2.089 156 M HA -0.296 4.184 4.480 -0.000 0.000 0.257 156 M C 1.503 177.918 176.300 0.192 0.000 1.071 156 M CA 2.327 57.712 55.300 0.141 0.000 1.096 156 M CB -0.866 31.784 32.600 0.082 0.000 1.330 156 M HN 0.284 nan 8.290 nan 0.000 0.403 157 D N -0.770 119.724 120.400 0.156 0.000 2.097 157 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 157 D C 1.592 177.988 176.300 0.160 0.000 0.984 157 D CA 2.159 56.247 54.000 0.147 0.000 0.826 157 D CB 0.013 40.901 40.800 0.146 0.000 0.973 157 D HN 0.391 nan 8.370 nan 0.000 0.460 158 T N -0.952 113.726 114.554 0.207 0.000 2.746 158 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 158 T C 1.588 176.431 174.700 0.239 0.000 1.039 158 T CA 1.242 63.470 62.100 0.213 0.000 1.142 158 T CB -0.635 68.400 68.868 0.278 0.000 0.866 158 T HN 0.308 nan 8.240 nan 0.000 0.444 159 Y N 1.758 122.183 120.300 0.208 0.000 2.133 159 Y HA -0.195 4.355 4.550 -0.000 0.000 0.287 159 Y C 2.810 178.730 175.900 0.032 0.000 1.134 159 Y CA 1.542 59.731 58.100 0.148 0.000 1.133 159 Y CB -0.261 38.340 38.460 0.234 0.000 0.987 159 Y HN 0.110 nan 8.280 nan 0.000 0.502 160 S N 0.317 116.067 115.700 0.083 0.000 2.365 160 S HA -0.261 4.209 4.470 -0.000 0.000 0.225 160 S C 1.884 176.412 174.600 -0.120 0.000 1.039 160 S CA 1.757 59.921 58.200 -0.060 0.000 1.033 160 S CB -0.376 62.859 63.200 0.057 0.000 0.887 160 S HN 0.435 nan 8.310 nan 0.000 0.447 161 M N 1.455 121.034 119.600 -0.036 0.000 2.213 161 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 161 M C 1.558 177.811 176.300 -0.078 0.000 1.062 161 M CA 1.171 56.449 55.300 -0.035 0.000 1.105 161 M CB -1.616 30.989 32.600 0.008 0.000 1.385 161 M HN 0.229 nan 8.290 nan 0.000 0.417 162 N N 0.244 118.876 118.700 -0.112 0.000 2.135 162 N HA -0.062 4.678 4.740 -0.000 0.000 0.186 162 N C 1.854 177.231 175.510 -0.222 0.000 1.027 162 N CA 1.009 53.976 53.050 -0.140 0.000 0.849 162 N CB -0.451 37.963 38.487 -0.121 0.000 1.002 162 N HN 0.102 nan 8.380 nan 0.000 0.425 163 V N -0.706 118.970 119.914 -0.398 0.000 2.358 163 V HA 0.030 4.150 4.120 -0.000 0.000 0.246 163 V C 1.446 177.362 176.094 -0.297 0.000 1.047 163 V CA 1.680 63.709 62.300 -0.452 0.000 1.035 163 V CB -0.871 30.480 31.823 -0.788 0.000 0.658 163 V HN 0.557 nan 8.190 nan 0.000 0.452 164 G N 0.244 108.881 108.800 -0.272 0.000 2.157 164 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.118 164 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.118 164 G C 0.081 174.996 174.900 0.026 0.000 1.032 164 G CA -0.060 44.987 45.100 -0.087 0.000 0.697 164 G HN 1.119 nan 8.290 nan 0.000 0.495 165 H N -2.946 116.109 119.070 -0.024 0.000 2.961 165 H HA 0.451 5.007 4.556 -0.000 0.000 0.278 165 H C -0.777 174.567 175.328 0.027 0.000 1.338 165 H CA -0.180 55.872 56.048 0.006 0.000 1.373 165 H CB 0.637 30.406 29.762 0.013 0.000 1.915 165 H HN 0.418 nan 8.280 nan 0.000 0.500 166 T N 1.412 116.091 114.554 0.209 0.000 2.829 166 T HA 0.229 4.579 4.350 -0.000 0.000 0.293 166 T C 0.742 175.591 174.700 0.249 0.000 0.970 166 T CA 0.311 62.512 62.100 0.168 0.000 1.168 166 T CB 0.007 68.956 68.868 0.135 0.000 0.911 166 T HN 0.423 nan 8.240 nan 0.000 0.535 167 V N 5.948 125.987 119.914 0.208 0.000 2.735 167 V HA 0.087 4.207 4.120 -0.000 0.000 0.234 167 V C 1.800 178.012 176.094 0.196 0.000 1.121 167 V CA 0.880 63.332 62.300 0.253 0.000 1.160 167 V CB -0.576 31.453 31.823 0.343 0.000 0.908 167 V HN 1.057 nan 8.190 nan 0.000 0.495 168 L N 0.420 121.754 121.223 0.186 0.000 4.668 168 L HA -0.225 4.115 4.340 -0.000 0.000 0.439 168 L C 0.883 177.837 176.870 0.140 0.000 1.120 168 L CA 1.863 56.792 54.840 0.150 0.000 0.961 168 L CB -2.620 39.524 42.059 0.142 0.000 1.918 168 L HN 0.307 nan 8.230 nan 0.000 0.926 169 G N -1.377 107.510 108.800 0.145 0.000 3.228 169 G HA2 0.307 4.267 3.960 -0.000 0.000 0.245 169 G HA3 0.307 4.267 3.960 -0.000 0.000 0.245 169 G C 1.007 176.029 174.900 0.203 0.000 1.051 169 G CA 0.390 45.594 45.100 0.173 0.000 0.809 169 G HN 0.400 nan 8.290 nan 0.000 0.531 170 I N 1.369 122.001 120.570 0.104 0.000 2.676 170 I HA 0.161 4.331 4.170 -0.000 0.000 0.259 170 I C 0.538 176.657 176.117 0.004 0.000 1.194 170 I CA 0.599 61.871 61.300 -0.047 0.000 1.473 170 I CB 0.368 38.242 38.000 -0.209 0.000 1.096 170 I HN 0.018 nan 8.210 nan 0.000 0.443 171 V N -2.555 117.395 119.914 0.060 0.000 3.087 171 V HA 0.698 4.818 4.120 -0.000 0.000 0.306 171 V C -0.225 175.893 176.094 0.040 0.000 1.187 171 V CA -0.088 62.233 62.300 0.036 0.000 0.999 171 V CB 0.889 32.736 31.823 0.039 0.000 1.049 171 V HN 0.219 nan 8.190 nan 0.000 0.431 172 T N -1.719 112.837 114.554 0.004 0.000 2.938 172 T HA 0.776 5.126 4.350 -0.000 0.000 0.285 172 T C 0.976 175.665 174.700 -0.018 0.000 1.028 172 T CA -0.098 62.010 62.100 0.012 0.000 1.005 172 T CB 1.130 69.999 68.868 0.003 0.000 1.157 172 T HN 2.766 nan 8.240 nan 0.000 0.550 173 G N 0.724 109.511 108.800 -0.022 0.000 2.160 173 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.244 173 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.244 173 G C -0.127 174.730 174.900 -0.071 0.000 1.022 173 G CA 0.251 45.322 45.100 -0.048 0.000 0.741 173 G HN 0.885 nan 8.290 nan 0.000 0.508 174 K N 0.136 120.500 120.400 -0.059 0.000 2.107 174 K HA 0.462 4.782 4.320 -0.000 0.000 0.251 174 K C -2.337 174.203 176.600 -0.100 0.000 1.012 174 K CA -1.916 54.321 56.287 -0.083 0.000 0.920 174 K CB 0.665 33.135 32.500 -0.050 0.000 1.033 174 K HN 0.005 nan 8.250 nan 0.000 0.478 175 P HA -0.072 nan 4.420 nan 0.000 0.269 175 P C 0.764 177.982 177.300 -0.136 0.000 1.209 175 P CA -0.094 62.932 63.100 -0.122 0.000 0.776 175 P CB 0.566 32.191 31.700 -0.125 0.000 0.876 176 V N 1.957 121.788 119.914 -0.139 0.000 2.250 176 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 176 V C 1.599 177.542 176.094 -0.252 0.000 1.060 176 V CA 2.069 64.258 62.300 -0.185 0.000 1.030 176 V CB -1.019 30.715 31.823 -0.148 0.000 0.643 176 V HN 0.615 nan 8.190 nan 0.000 0.445 177 E N -0.301 119.784 120.200 -0.191 0.000 2.528 177 E HA 0.125 4.475 4.350 -0.000 0.000 0.237 177 E C 0.139 176.639 176.600 -0.167 0.000 1.408 177 E CA 0.179 56.467 56.400 -0.187 0.000 1.571 177 E CB -0.212 29.412 29.700 -0.126 0.000 1.395 177 E HN 0.374 nan 8.360 nan 0.000 0.438 178 L N -1.180 119.923 121.223 -0.200 0.000 3.659 178 L HA 0.301 4.641 4.340 -0.000 0.000 0.372 178 L C 0.693 177.495 176.870 -0.113 0.000 1.332 178 L CA 0.893 55.656 54.840 -0.128 0.000 1.045 178 L CB 0.476 42.483 42.059 -0.087 0.000 1.360 178 L HN 0.221 nan 8.230 nan 0.000 0.600 179 G N -1.319 107.336 108.800 -0.241 0.000 2.201 179 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.212 179 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.212 179 G C 0.705 175.584 174.900 -0.034 0.000 0.994 179 G CA 0.077 45.129 45.100 -0.080 0.000 0.644 179 G HN 0.852 nan 8.290 nan 0.000 0.508 180 G N -0.134 108.575 108.800 -0.151 0.000 2.653 180 G HA2 0.537 4.497 3.960 -0.000 0.000 0.265 180 G HA3 0.537 4.497 3.960 -0.000 0.000 0.265 180 G C 0.053 174.904 174.900 -0.082 0.000 1.237 180 G CA 0.780 45.829 45.100 -0.086 0.000 0.946 180 G HN 0.865 nan 8.290 nan 0.000 0.522 181 S N -0.857 114.819 115.700 -0.041 0.000 2.566 181 S HA 0.428 4.898 4.470 -0.000 0.000 0.298 181 S C -0.186 174.396 174.600 -0.030 0.000 1.083 181 S CA -0.722 57.463 58.200 -0.024 0.000 0.978 181 S CB 1.778 64.974 63.200 -0.006 0.000 1.073 181 S HN 0.514 nan 8.310 nan 0.000 0.491 182 K N 0.570 120.961 120.400 -0.016 0.000 2.202 182 K HA 0.469 4.789 4.320 -0.000 0.000 0.264 182 K C 1.101 177.704 176.600 0.005 0.000 1.010 182 K CA 0.371 56.650 56.287 -0.014 0.000 0.940 182 K CB 0.455 32.953 32.500 -0.003 0.000 0.983 182 K HN 0.952 nan 8.250 nan 0.000 0.475 183 G N 1.331 110.114 108.800 -0.028 0.000 2.176 183 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.253 183 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.253 183 G C 0.956 175.812 174.900 -0.074 0.000 0.979 183 G CA 0.608 45.677 45.100 -0.052 0.000 0.641 183 G HN 0.725 nan 8.290 nan 0.000 0.530 184 R N 0.618 121.086 120.500 -0.054 0.000 2.096 184 R HA -0.108 4.232 4.340 -0.000 0.000 0.240 184 R C 2.312 178.560 176.300 -0.087 0.000 1.139 184 R CA 2.225 58.294 56.100 -0.051 0.000 0.952 184 R CB -0.345 29.931 30.300 -0.039 0.000 0.854 184 R HN 0.668 nan 8.270 nan 0.000 0.436 185 E N 0.153 120.285 120.200 -0.114 0.000 2.017 185 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 185 E C 1.862 178.225 176.600 -0.395 0.000 0.997 185 E CA 1.823 58.157 56.400 -0.111 0.000 0.804 185 E CB -0.131 29.574 29.700 0.009 0.000 0.757 185 E HN 0.628 nan 8.360 nan 0.000 0.448 186 E N 1.186 120.877 120.200 -0.848 0.000 2.338 186 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 186 E C 1.912 178.252 176.600 -0.434 0.000 1.007 186 E CA 0.676 56.363 56.400 -1.188 0.000 0.849 186 E CB -0.131 28.927 29.700 -1.070 0.000 0.774 186 E HN 0.194 nan 8.360 nan 0.000 0.506 187 A N 1.901 124.579 122.820 -0.237 0.000 1.873 187 A HA -0.344 3.976 4.320 -0.000 0.000 0.219 187 A C 2.494 180.045 177.584 -0.055 0.000 1.269 187 A CA 2.904 54.886 52.037 -0.092 0.000 0.671 187 A CB -1.671 17.300 19.000 -0.048 0.000 0.842 187 A HN 0.401 nan 8.150 nan 0.000 0.460 188 T N -0.467 114.066 114.554 -0.036 0.000 2.665 188 T HA -0.089 4.261 4.350 -0.000 0.000 0.268 188 T C 1.942 176.653 174.700 0.018 0.000 1.035 188 T CA 1.865 63.967 62.100 0.002 0.000 1.151 188 T CB -0.881 67.999 68.868 0.021 0.000 0.862 188 T HN 0.715 nan 8.240 nan 0.000 0.438 189 G N 1.026 109.845 108.800 0.032 0.000 2.418 189 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 189 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 189 G C 1.556 176.477 174.900 0.034 0.000 1.158 189 G CA 0.859 46.006 45.100 0.077 0.000 0.771 189 G HN 0.447 nan 8.290 nan 0.000 0.545 190 R N 0.331 120.822 120.500 -0.015 0.000 2.096 190 R HA -0.019 4.321 4.340 -0.000 0.000 0.235 190 R C 2.710 179.015 176.300 0.009 0.000 1.127 190 R CA 1.576 57.671 56.100 -0.008 0.000 0.968 190 R CB -0.680 29.605 30.300 -0.025 0.000 0.861 190 R HN 0.313 nan 8.270 nan 0.000 0.440 191 G N 0.107 108.915 108.800 0.013 0.000 2.459 191 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 191 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 191 G C 1.382 176.293 174.900 0.018 0.000 1.183 191 G CA 1.004 46.117 45.100 0.022 0.000 0.776 191 G HN 0.232 nan 8.290 nan 0.000 0.552 192 V N 1.438 121.366 119.914 0.023 0.000 2.392 192 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 192 V C 2.758 178.860 176.094 0.013 0.000 1.059 192 V CA 2.142 64.457 62.300 0.025 0.000 1.051 192 V CB -0.372 31.473 31.823 0.036 0.000 0.658 192 V HN 0.413 nan 8.190 nan 0.000 0.455 193 K N 0.563 120.971 120.400 0.013 0.000 2.002 193 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 193 K C 2.096 178.678 176.600 -0.029 0.000 1.048 193 K CA 1.951 58.240 56.287 0.004 0.000 0.930 193 K CB -0.422 32.087 32.500 0.014 0.000 0.714 193 K HN 0.370 nan 8.250 nan 0.000 0.438 194 V N 1.505 121.396 119.914 -0.037 0.000 2.255 194 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 194 V C 2.812 178.803 176.094 -0.173 0.000 1.051 194 V CA 1.969 64.220 62.300 -0.082 0.000 1.018 194 V CB -0.794 30.997 31.823 -0.052 0.000 0.641 194 V HN 0.431 nan 8.190 nan 0.000 0.445 195 C N 0.339 119.556 119.300 -0.138 0.000 2.413 195 C HA -0.138 4.322 4.460 -0.000 0.000 0.276 195 C C 3.143 178.026 174.990 -0.178 0.000 1.248 195 C CA 0.852 59.753 59.018 -0.196 0.000 1.742 195 C CB -1.452 26.300 27.740 0.019 0.000 2.017 195 C HN 0.653 nan 8.230 nan 0.000 0.481 196 A N 0.723 123.497 122.820 -0.077 0.000 1.908 196 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 196 A C 2.392 179.931 177.584 -0.075 0.000 1.181 196 A CA 2.261 54.273 52.037 -0.042 0.000 0.627 196 A CB -1.294 17.701 19.000 -0.008 0.000 0.818 196 A HN 0.562 nan 8.150 nan 0.000 0.445 197 G N -0.131 108.606 108.800 -0.105 0.000 2.433 197 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 197 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 197 G C 1.536 176.342 174.900 -0.156 0.000 1.186 197 G CA 1.041 46.079 45.100 -0.104 0.000 0.779 197 G HN 0.435 nan 8.290 nan 0.000 0.543 198 L N 0.771 121.805 121.223 -0.316 0.000 2.131 198 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 198 L C 3.401 180.132 176.870 -0.232 0.000 1.092 198 L CA 0.922 55.498 54.840 -0.438 0.000 0.759 198 L CB -0.492 40.891 42.059 -1.126 0.000 0.903 198 L HN 0.330 nan 8.230 nan 0.000 0.435 199 A N 0.016 122.742 122.820 -0.156 0.000 1.902 199 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 199 A C 2.329 179.938 177.584 0.041 0.000 1.181 199 A CA 1.688 53.766 52.037 0.067 0.000 0.623 199 A CB -0.436 18.610 19.000 0.077 0.000 0.818 199 A HN 0.319 nan 8.150 nan 0.000 0.443 200 M N -0.559 119.039 119.600 -0.003 0.000 2.117 200 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 200 M C 1.695 178.001 176.300 0.010 0.000 1.065 200 M CA 1.725 57.028 55.300 0.005 0.000 1.114 200 M CB -0.617 31.979 32.600 -0.007 0.000 1.361 200 M HN 0.433 nan 8.290 nan 0.000 0.408 201 D N 0.215 120.613 120.400 -0.003 0.000 2.092 201 D HA -0.160 4.480 4.640 -0.000 0.000 0.193 201 D C 1.945 178.268 176.300 0.039 0.000 0.994 201 D CA 2.141 56.147 54.000 0.010 0.000 0.828 201 D CB -0.229 40.567 40.800 -0.006 0.000 0.963 201 D HN 0.376 nan 8.370 nan 0.000 0.450 202 V N -0.546 119.411 119.914 0.072 0.000 2.626 202 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 202 V C 2.101 178.230 176.094 0.059 0.000 1.067 202 V CA 1.165 63.516 62.300 0.085 0.000 1.081 202 V CB -0.566 31.339 31.823 0.136 0.000 0.686 202 V HN -0.004 nan 8.190 nan 0.000 0.468 203 L N 1.591 122.845 121.223 0.052 0.000 2.591 203 L HA 0.530 4.870 4.340 -0.000 0.000 0.228 203 L C 1.994 178.880 176.870 0.027 0.000 1.133 203 L CA 1.210 56.074 54.840 0.038 0.000 0.880 203 L CB -0.651 41.431 42.059 0.038 0.000 1.033 203 L HN 0.615 nan 8.230 nan 0.000 0.450 204 G N 0.167 108.982 108.800 0.026 0.000 2.179 204 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 204 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 204 G C 0.411 175.320 174.900 0.014 0.000 1.010 204 G CA 0.267 45.378 45.100 0.019 0.000 0.736 204 G HN 0.331 nan 8.290 nan 0.000 0.513 205 I N 0.587 121.166 120.570 0.015 0.000 2.395 205 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 205 I C 0.358 176.480 176.117 0.008 0.000 1.023 205 I CA -0.579 60.728 61.300 0.012 0.000 1.350 205 I CB 1.066 39.074 38.000 0.014 0.000 1.409 205 I HN 0.080 nan 8.210 nan 0.000 0.507 206 D N 9.150 129.554 120.400 0.006 0.000 2.325 206 D HA 0.134 4.774 4.640 -0.000 0.000 0.251 206 D C -1.242 175.060 176.300 0.004 0.000 1.196 206 D CA -1.819 52.183 54.000 0.004 0.000 0.866 206 D CB 1.147 41.949 40.800 0.004 0.000 1.101 206 D HN 0.246 nan 8.370 nan 0.000 0.476 207 P HA -0.272 nan 4.420 nan 0.000 0.216 207 P C 1.213 178.515 177.300 0.004 0.000 1.154 207 P CA 1.245 64.347 63.100 0.002 0.000 0.865 207 P CB 0.229 31.927 31.700 -0.002 0.000 0.789 208 K N 0.549 120.951 120.400 0.003 0.000 2.152 208 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 208 K C 2.278 178.880 176.600 0.002 0.000 1.048 208 K CA 1.522 57.811 56.287 0.003 0.000 0.933 208 K CB -0.150 32.352 32.500 0.002 0.000 0.721 208 K HN 0.022 nan 8.250 nan 0.000 0.447 209 K N -0.010 120.392 120.400 0.002 0.000 2.352 209 K HA 0.134 4.454 4.320 -0.000 0.000 0.194 209 K C -0.140 176.462 176.600 0.005 0.000 1.038 209 K CA 0.211 56.499 56.287 0.002 0.000 1.023 209 K CB 0.272 32.773 32.500 0.002 0.000 0.840 209 K HN 0.151 nan 8.250 nan 0.000 0.519 210 A N 1.854 124.678 122.820 0.008 0.000 2.565 210 A HA 0.069 4.389 4.320 -0.000 0.000 0.237 210 A C 0.040 177.633 177.584 0.016 0.000 1.053 210 A CA 0.389 52.433 52.037 0.012 0.000 0.755 210 A CB -0.067 18.941 19.000 0.013 0.000 0.980 210 A HN 0.427 nan 8.150 nan 0.000 0.506 211 T N 0.187 114.754 114.554 0.022 0.000 2.794 211 T HA 0.622 4.972 4.350 -0.000 0.000 0.280 211 T C -0.374 174.351 174.700 0.042 0.000 0.987 211 T CA -0.732 61.386 62.100 0.030 0.000 0.993 211 T CB 1.247 70.137 68.868 0.038 0.000 0.939 211 T HN 0.561 nan 8.240 nan 0.000 0.449 212 V N 1.537 121.482 119.914 0.052 0.000 2.735 212 V HA 0.846 4.966 4.120 -0.000 0.000 0.310 212 V C -0.165 175.982 176.094 0.089 0.000 1.061 212 V CA -1.107 61.232 62.300 0.064 0.000 0.913 212 V CB 1.777 33.638 31.823 0.063 0.000 1.005 212 V HN 1.291 nan 8.190 nan 0.000 0.428 213 A N 3.792 126.665 122.820 0.089 0.000 2.335 213 A HA 0.837 5.157 4.320 -0.000 0.000 0.304 213 A C -1.066 176.577 177.584 0.098 0.000 1.118 213 A CA -0.504 51.597 52.037 0.107 0.000 0.757 213 A CB 1.559 20.614 19.000 0.091 0.000 1.188 213 A HN 0.681 nan 8.150 nan 0.000 0.460 214 V N 3.148 123.134 119.914 0.120 0.000 2.384 214 V HA 0.351 4.471 4.120 -0.000 0.000 0.287 214 V C 0.208 176.374 176.094 0.119 0.000 1.020 214 V CA -0.475 61.898 62.300 0.122 0.000 0.850 214 V CB 1.432 33.351 31.823 0.160 0.000 0.987 214 V HN 0.937 nan 8.190 nan 0.000 0.436 215 Q N 3.509 123.365 119.800 0.094 0.000 2.322 215 Q HA 0.562 4.902 4.340 -0.000 0.000 0.256 215 Q C 0.193 176.251 176.000 0.097 0.000 0.960 215 Q CA 0.529 56.381 55.803 0.083 0.000 0.934 215 Q CB 1.145 29.920 28.738 0.062 0.000 1.200 215 Q HN 1.171 nan 8.270 nan 0.000 0.435 216 G N 2.918 111.788 108.800 0.116 0.000 2.697 216 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 216 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 216 G C -1.172 173.875 174.900 0.246 0.000 1.179 216 G CA -0.676 44.504 45.100 0.133 0.000 0.765 216 G HN 0.561 nan 8.290 nan 0.000 0.649 217 F N 2.412 122.351 119.950 -0.019 0.000 2.733 217 F HA 0.524 5.051 4.527 -0.000 0.000 0.380 217 F C 1.228 176.997 175.800 -0.053 0.000 1.324 217 F CA 0.215 58.189 58.000 -0.042 0.000 1.178 217 F CB 0.322 39.287 39.000 -0.058 0.000 1.093 217 F HN 0.870 nan 8.300 nan 0.000 0.512 218 G N 0.370 109.140 108.800 -0.051 0.000 2.504 218 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.257 218 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.257 218 G C 0.906 175.691 174.900 -0.192 0.000 1.451 218 G CA 0.092 45.137 45.100 -0.092 0.000 1.059 218 G HN 0.276 nan 8.290 nan 0.000 0.550 219 N N -1.581 117.051 118.700 -0.115 0.000 2.061 219 N HA -0.175 4.564 4.740 -0.000 0.000 0.193 219 N C 2.267 177.773 175.510 -0.007 0.000 1.030 219 N CA 1.928 54.930 53.050 -0.079 0.000 0.856 219 N CB -0.197 38.321 38.487 0.052 0.000 1.023 219 N HN 0.169 nan 8.380 nan 0.000 0.424 220 V N 0.052 119.974 119.914 0.013 0.000 2.237 220 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 220 V C 2.445 178.535 176.094 -0.006 0.000 1.046 220 V CA 2.121 64.445 62.300 0.040 0.000 1.007 220 V CB -1.545 30.295 31.823 0.028 0.000 0.638 220 V HN 0.526 nan 8.190 nan 0.000 0.445 221 G N -1.088 107.678 108.800 -0.056 0.000 2.476 221 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 221 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 221 G C 1.505 176.263 174.900 -0.237 0.000 1.164 221 G CA 1.162 46.224 45.100 -0.063 0.000 0.768 221 G HN 0.572 nan 8.290 nan 0.000 0.560 222 Q N -0.461 118.979 119.800 -0.600 0.000 1.975 222 Q HA -0.070 4.270 4.340 -0.000 0.000 0.205 222 Q C 2.442 178.210 176.000 -0.387 0.000 0.990 222 Q CA 1.512 56.787 55.803 -0.880 0.000 0.845 222 Q CB -0.393 27.704 28.738 -1.068 0.000 0.913 222 Q HN 0.577 nan 8.270 nan 0.000 0.420 223 F N 0.579 120.410 119.950 -0.198 0.000 2.154 223 F HA -0.287 4.240 4.527 -0.000 0.000 0.301 223 F C 2.429 178.194 175.800 -0.058 0.000 1.087 223 F CA 0.512 58.452 58.000 -0.100 0.000 1.274 223 F CB -0.242 38.713 39.000 -0.075 0.000 1.009 223 F HN 0.166 nan 8.300 nan 0.000 0.485 224 A N 0.290 123.186 122.820 0.126 0.000 1.835 224 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 224 A C 2.388 180.019 177.584 0.079 0.000 1.199 224 A CA 1.801 53.890 52.037 0.087 0.000 0.615 224 A CB -1.411 17.628 19.000 0.065 0.000 0.838 224 A HN 0.308 nan 8.150 nan 0.000 0.444 225 A N -0.672 122.192 122.820 0.074 0.000 1.978 225 A HA -0.097 4.223 4.320 -0.000 0.000 0.220 225 A C 2.242 179.886 177.584 0.099 0.000 1.170 225 A CA 1.671 53.775 52.037 0.112 0.000 0.636 225 A CB -0.623 18.497 19.000 0.200 0.000 0.810 225 A HN 0.614 nan 8.150 nan 0.000 0.448 226 L N -0.628 120.642 121.223 0.078 0.000 1.988 226 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 226 L C 2.480 179.403 176.870 0.088 0.000 1.071 226 L CA 1.424 56.315 54.840 0.084 0.000 0.744 226 L CB -0.269 41.839 42.059 0.082 0.000 0.893 226 L HN 0.415 nan 8.230 nan 0.000 0.433 227 L N -0.318 120.964 121.223 0.099 0.000 2.083 227 L HA -0.258 4.082 4.340 -0.000 0.000 0.209 227 L C 2.530 179.432 176.870 0.053 0.000 1.083 227 L CA 1.312 56.196 54.840 0.073 0.000 0.752 227 L CB -0.534 41.565 42.059 0.067 0.000 0.899 227 L HN 0.332 nan 8.230 nan 0.000 0.433 228 I N -0.849 119.754 120.570 0.055 0.000 2.208 228 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 228 I C 2.850 178.993 176.117 0.042 0.000 1.097 228 I CA 1.370 62.696 61.300 0.043 0.000 1.363 228 I CB -0.326 37.703 38.000 0.048 0.000 1.051 228 I HN 0.253 nan 8.210 nan 0.000 0.413 229 S N 0.396 116.129 115.700 0.055 0.000 2.349 229 S HA -0.245 4.225 4.470 -0.000 0.000 0.216 229 S C 2.029 176.654 174.600 0.043 0.000 1.033 229 S CA 1.616 59.848 58.200 0.052 0.000 1.021 229 S CB -0.246 62.995 63.200 0.068 0.000 0.968 229 S HN 0.409 nan 8.310 nan 0.000 0.426 230 Q N 0.223 120.051 119.800 0.047 0.000 2.030 230 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 230 Q C 2.346 178.364 176.000 0.031 0.000 0.986 230 Q CA 1.826 57.653 55.803 0.040 0.000 0.843 230 Q CB -0.234 28.532 28.738 0.046 0.000 0.904 230 Q HN 0.671 nan 8.270 nan 0.000 0.420 231 E N 0.083 120.301 120.200 0.030 0.000 2.122 231 E HA -0.051 4.299 4.350 -0.000 0.000 0.190 231 E C 1.961 178.569 176.600 0.014 0.000 0.977 231 E CA 0.606 57.018 56.400 0.020 0.000 0.820 231 E CB 0.201 29.912 29.700 0.019 0.000 0.770 231 E HN 0.279 nan 8.360 nan 0.000 0.462 232 L N -0.983 120.249 121.223 0.015 0.000 2.354 232 L HA 0.190 4.530 4.340 -0.000 0.000 0.212 232 L C 1.560 178.436 176.870 0.010 0.000 1.091 232 L CA 0.556 55.401 54.840 0.008 0.000 0.828 232 L CB 0.222 42.284 42.059 0.005 0.000 0.973 232 L HN 0.327 nan 8.230 nan 0.000 0.461 233 G N -0.176 108.634 108.800 0.017 0.000 2.157 233 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 233 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 233 G C 0.280 175.189 174.900 0.015 0.000 0.979 233 G CA 0.251 45.360 45.100 0.016 0.000 0.650 233 G HN 0.287 nan 8.290 nan 0.000 0.529 234 S N 0.426 116.137 115.700 0.018 0.000 2.572 234 S HA 0.399 4.869 4.470 -0.000 0.000 0.279 234 S C 0.529 175.142 174.600 0.022 0.000 1.341 234 S CA -0.044 58.167 58.200 0.019 0.000 1.043 234 S CB 1.013 64.227 63.200 0.023 0.000 0.887 234 S HN 0.432 nan 8.310 nan 0.000 0.516 235 K N 1.931 122.338 120.400 0.012 0.000 2.273 235 K HA 0.226 4.546 4.320 -0.000 0.000 0.287 235 K C -0.942 175.664 176.600 0.012 0.000 1.089 235 K CA -0.319 55.968 56.287 0.000 0.000 0.909 235 K CB 0.448 32.932 32.500 -0.026 0.000 1.123 235 K HN 0.282 nan 8.250 nan 0.000 0.473 236 V N 5.007 124.944 119.914 0.038 0.000 2.341 236 V HA -0.061 4.059 4.120 -0.000 0.000 0.248 236 V C 1.496 177.615 176.094 0.041 0.000 1.107 236 V CA -0.039 62.310 62.300 0.080 0.000 1.069 236 V CB 0.035 31.942 31.823 0.140 0.000 1.177 236 V HN 0.677 nan 8.190 nan 0.000 0.492 237 V N 1.913 121.828 119.914 0.002 0.000 3.041 237 V HA 0.511 4.631 4.120 -0.000 0.000 0.260 237 V C 0.811 176.889 176.094 -0.027 0.000 1.105 237 V CA 1.013 63.230 62.300 -0.139 0.000 1.125 237 V CB -0.494 31.307 31.823 -0.037 0.000 0.730 237 V HN 0.894 nan 8.190 nan 0.000 0.479 238 A N -0.111 122.849 122.820 0.232 0.000 2.582 238 A HA 0.747 5.067 4.320 -0.000 0.000 0.297 238 A C -0.882 176.843 177.584 0.235 0.000 1.059 238 A CA 0.063 52.322 52.037 0.370 0.000 0.705 238 A CB 1.616 20.857 19.000 0.402 0.000 1.279 238 A HN 1.423 nan 8.150 nan 0.000 0.404 239 V N -0.847 119.140 119.914 0.122 0.000 3.130 239 V HA 1.016 5.136 4.120 -0.000 0.000 0.310 239 V C -0.295 175.738 176.094 -0.101 0.000 1.158 239 V CA -0.306 61.969 62.300 -0.041 0.000 1.029 239 V CB 1.732 33.349 31.823 -0.343 0.000 1.057 239 V HN 1.846 nan 8.190 nan 0.000 0.436 240 S N 0.274 115.939 115.700 -0.059 0.000 2.548 240 S HA 0.588 5.058 4.470 -0.000 0.000 0.276 240 S C -0.992 173.605 174.600 -0.005 0.000 1.129 240 S CA -0.655 57.521 58.200 -0.039 0.000 0.931 240 S CB 1.878 65.090 63.200 0.020 0.000 1.068 240 S HN 1.005 nan 8.310 nan 0.000 0.480 241 D N 0.901 121.288 120.400 -0.021 0.000 2.432 241 D HA 0.291 4.931 4.640 -0.000 0.000 0.258 241 D C 0.381 176.706 176.300 0.042 0.000 1.146 241 D CA -0.392 53.627 54.000 0.032 0.000 1.015 241 D CB 1.712 42.521 40.800 0.016 0.000 1.107 241 D HN 0.675 nan 8.370 nan 0.000 0.529 242 S N 0.747 116.478 115.700 0.052 0.000 3.544 242 S HA 0.165 4.635 4.470 -0.000 0.000 0.227 242 S C 0.843 175.465 174.600 0.037 0.000 1.387 242 S CA -0.129 58.097 58.200 0.044 0.000 1.182 242 S CB 0.227 63.454 63.200 0.044 0.000 1.243 242 S HN 0.555 nan 8.310 nan 0.000 0.467 243 R N -0.379 120.140 120.500 0.032 0.000 2.357 243 R HA 0.277 4.617 4.340 -0.000 0.000 0.094 243 R C 0.357 176.672 176.300 0.025 0.000 0.858 243 R CA 0.643 56.760 56.100 0.030 0.000 2.620 243 R CB 0.186 30.505 30.300 0.032 0.000 1.431 243 R HN 0.575 nan 8.270 nan 0.000 0.514 244 G N -0.473 108.340 108.800 0.020 0.000 2.356 244 G HA2 0.435 4.395 3.960 -0.000 0.000 0.294 244 G HA3 0.435 4.395 3.960 -0.000 0.000 0.294 244 G C -1.408 173.494 174.900 0.003 0.000 1.423 244 G CA -0.279 44.831 45.100 0.017 0.000 0.806 244 G HN 0.268 nan 8.290 nan 0.000 0.527 245 G N -1.158 107.648 108.800 0.010 0.000 2.600 245 G HA2 0.855 4.815 3.960 -0.000 0.000 0.303 245 G HA3 0.855 4.815 3.960 -0.000 0.000 0.303 245 G C -0.488 174.431 174.900 0.032 0.000 1.253 245 G CA -0.611 44.492 45.100 0.004 0.000 0.974 245 G HN 1.397 nan 8.290 nan 0.000 0.483 246 I N -1.955 118.644 120.570 0.048 0.000 2.608 246 I HA 0.740 4.910 4.170 -0.000 0.000 0.295 246 I C -1.646 174.724 176.117 0.422 0.000 1.049 246 I CA -1.235 60.162 61.300 0.161 0.000 1.063 246 I CB 2.484 40.484 38.000 -0.001 0.000 1.248 246 I HN 0.453 nan 8.210 nan 0.000 0.424 247 Y N 4.812 125.272 120.300 0.267 0.000 2.536 247 Y HA 0.680 5.230 4.550 -0.000 0.000 0.347 247 Y C -1.209 174.666 175.900 -0.043 0.000 1.000 247 Y CA -0.978 57.203 58.100 0.135 0.000 1.051 247 Y CB 1.978 40.463 38.460 0.042 0.000 1.259 247 Y HN 0.798 nan 8.280 nan 0.000 0.468 248 N N 5.996 123.956 118.700 -1.234 0.000 3.127 248 N HA 0.178 4.918 4.740 -0.000 0.000 0.239 248 N C -2.735 172.118 175.510 -1.094 0.000 1.200 248 N CA -1.332 51.045 53.050 -1.122 0.000 0.924 248 N CB 1.901 39.732 38.487 -1.094 0.000 1.583 248 N HN 0.393 nan 8.380 nan 0.000 0.645 249 P HA -0.092 nan 4.420 nan 0.000 0.222 249 P C 0.415 177.525 177.300 -0.317 0.000 1.147 249 P CA 1.124 63.940 63.100 -0.474 0.000 0.790 249 P CB 0.563 32.115 31.700 -0.247 0.000 0.780 250 E N -0.231 119.768 120.200 -0.334 0.000 2.274 250 E HA 0.168 4.518 4.350 -0.000 0.000 0.194 250 E C 0.799 177.269 176.600 -0.216 0.000 0.996 250 E CA 0.404 56.670 56.400 -0.223 0.000 0.840 250 E CB -0.316 29.271 29.700 -0.188 0.000 0.772 250 E HN 0.269 nan 8.360 nan 0.000 0.491 251 G N 0.766 109.362 108.800 -0.340 0.000 3.055 251 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 251 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 251 G C -0.641 174.137 174.900 -0.204 0.000 1.087 251 G CA -0.906 44.043 45.100 -0.251 0.000 0.779 251 G HN 0.104 nan 8.290 nan 0.000 0.599 252 F N 0.586 120.510 119.950 -0.043 0.000 2.370 252 F HA 0.447 4.974 4.527 -0.000 0.000 0.324 252 F C 1.032 176.826 175.800 -0.009 0.000 1.116 252 F CA -0.179 57.803 58.000 -0.031 0.000 1.123 252 F CB 1.475 40.423 39.000 -0.088 0.000 1.238 252 F HN 0.533 nan 8.300 nan 0.000 0.536 253 D N 1.477 122.026 120.400 0.248 0.000 2.479 253 D HA 0.221 4.861 4.640 -0.000 0.000 0.218 253 D C 0.801 177.158 176.300 0.094 0.000 1.131 253 D CA -0.168 53.917 54.000 0.142 0.000 0.916 253 D CB 0.774 41.655 40.800 0.135 0.000 1.022 253 D HN 0.281 nan 8.370 nan 0.000 0.515 254 V N 3.484 123.460 119.914 0.102 0.000 2.313 254 V HA -0.343 3.777 4.120 -0.000 0.000 0.253 254 V C 2.177 178.318 176.094 0.077 0.000 1.070 254 V CA 1.897 64.257 62.300 0.101 0.000 1.057 254 V CB -0.599 31.298 31.823 0.122 0.000 0.653 254 V HN 0.649 nan 8.190 nan 0.000 0.450 255 E N -0.249 119.991 120.200 0.068 0.000 2.049 255 E HA -0.276 4.074 4.350 -0.000 0.000 0.198 255 E C 2.314 178.954 176.600 0.067 0.000 1.007 255 E CA 1.712 58.148 56.400 0.060 0.000 0.809 255 E CB -0.220 29.517 29.700 0.061 0.000 0.749 255 E HN 0.714 nan 8.360 nan 0.000 0.450 256 E N 0.531 120.776 120.200 0.075 0.000 2.110 256 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 256 E C 2.271 178.897 176.600 0.043 0.000 0.988 256 E CA 0.669 57.136 56.400 0.111 0.000 0.804 256 E CB -0.067 29.742 29.700 0.183 0.000 0.745 256 E HN 0.246 nan 8.360 nan 0.000 0.458 257 L N 0.655 121.790 121.223 -0.147 0.000 2.046 257 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 257 L C 2.443 179.352 176.870 0.066 0.000 1.077 257 L CA 0.952 55.592 54.840 -0.332 0.000 0.747 257 L CB -0.323 41.441 42.059 -0.492 0.000 0.896 257 L HN 0.187 nan 8.230 nan 0.000 0.432 258 I N -0.716 119.957 120.570 0.171 0.000 2.202 258 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 258 I C 2.712 178.896 176.117 0.112 0.000 1.091 258 I CA 1.011 62.406 61.300 0.159 0.000 1.368 258 I CB -0.242 37.755 38.000 -0.004 0.000 1.058 258 I HN 0.172 nan 8.210 nan 0.000 0.410 259 R N 0.112 120.674 120.500 0.104 0.000 2.096 259 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 259 R C 2.153 178.548 176.300 0.158 0.000 1.127 259 R CA 1.442 57.603 56.100 0.102 0.000 0.968 259 R CB -1.081 29.283 30.300 0.107 0.000 0.861 259 R HN 0.397 nan 8.270 nan 0.000 0.440 260 Y N 1.218 121.585 120.300 0.111 0.000 2.145 260 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 260 Y C 2.206 178.247 175.900 0.236 0.000 1.145 260 Y CA 1.975 60.212 58.100 0.227 0.000 1.148 260 Y CB -0.092 38.457 38.460 0.148 0.000 0.981 260 Y HN -0.019 nan 8.280 nan 0.000 0.507 261 K N 0.366 120.921 120.400 0.258 0.000 2.147 261 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 261 K C 1.980 178.608 176.600 0.045 0.000 1.049 261 K CA 1.591 57.974 56.287 0.162 0.000 0.936 261 K CB -0.084 32.551 32.500 0.226 0.000 0.722 261 K HN 0.297 nan 8.250 nan 0.000 0.446 262 K N 0.253 120.668 120.400 0.024 0.000 2.097 262 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 262 K C 1.893 178.426 176.600 -0.111 0.000 1.050 262 K CA 1.403 57.670 56.287 -0.034 0.000 0.938 262 K CB 0.056 32.540 32.500 -0.027 0.000 0.718 262 K HN 0.264 nan 8.250 nan 0.000 0.442 263 E N 0.031 120.117 120.200 -0.189 0.000 2.447 263 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 263 E C -0.679 175.446 176.600 -0.792 0.000 1.028 263 E CA 0.222 56.355 56.400 -0.445 0.000 0.876 263 E CB 0.399 29.809 29.700 -0.484 0.000 0.885 263 E HN 0.326 nan 8.360 nan 0.000 0.500 264 H N -2.007 116.897 119.070 -0.276 0.000 3.108 264 H HA 0.255 4.811 4.556 -0.000 0.000 0.329 264 H C 0.739 175.977 175.328 -0.151 0.000 0.978 264 H CA -0.167 55.706 56.048 -0.291 0.000 1.413 264 H CB 1.687 31.076 29.762 -0.622 0.000 1.670 264 H HN 0.099 nan 8.280 nan 0.000 0.512 265 G N 2.810 111.612 108.800 0.004 0.000 2.817 265 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.226 265 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.226 265 G C 0.718 175.654 174.900 0.061 0.000 1.115 265 G CA 1.865 46.980 45.100 0.025 0.000 0.750 265 G HN 0.715 nan 8.290 nan 0.000 0.637 266 T N -3.882 110.726 114.554 0.090 0.000 2.916 266 T HA 0.478 4.828 4.350 -0.000 0.000 0.292 266 T C 0.991 175.802 174.700 0.186 0.000 1.055 266 T CA -0.013 62.151 62.100 0.105 0.000 1.009 266 T CB 1.997 70.911 68.868 0.077 0.000 1.118 266 T HN 0.619 nan 8.240 nan 0.000 0.497 267 V N -0.184 119.777 119.914 0.078 0.000 3.510 267 V HA 0.238 4.358 4.120 -0.000 0.000 0.270 267 V C 0.897 176.968 176.094 -0.039 0.000 1.201 267 V CA -0.059 62.226 62.300 -0.025 0.000 1.166 267 V CB -1.226 30.325 31.823 -0.453 0.000 0.825 267 V HN 0.699 nan 8.190 nan 0.000 0.484 268 V N 1.603 121.544 119.914 0.045 0.000 2.963 268 V HA 0.286 4.406 4.120 -0.000 0.000 0.306 268 V C 1.597 177.752 176.094 0.102 0.000 1.077 268 V CA 1.148 63.470 62.300 0.036 0.000 1.124 268 V CB 0.291 32.140 31.823 0.042 0.000 0.987 268 V HN 0.766 nan 8.190 nan 0.000 0.487 269 T N 1.083 115.665 114.554 0.046 0.000 7.058 269 T HA -0.278 4.072 4.350 -0.000 0.000 0.289 269 T C 0.057 174.732 174.700 -0.041 0.000 2.142 269 T CA 1.328 63.455 62.100 0.045 0.000 3.531 269 T CB -1.789 67.144 68.868 0.108 0.000 1.423 269 T HN 0.857 nan 8.240 nan 0.000 1.040 270 Y N 5.744 125.816 120.300 -0.380 0.000 2.729 270 Y HA 0.332 4.882 4.550 -0.000 0.000 0.331 270 Y C -1.687 173.978 175.900 -0.392 0.000 1.208 270 Y CA -1.751 55.860 58.100 -0.815 0.000 1.521 270 Y CB 0.535 38.349 38.460 -1.077 0.000 1.233 270 Y HN 0.126 nan 8.280 nan 0.000 0.539 271 P HA -0.022 nan 4.420 nan 0.000 0.269 271 P C -0.800 176.193 177.300 -0.512 0.000 1.209 271 P CA -0.012 62.770 63.100 -0.531 0.000 0.776 271 P CB 0.786 32.213 31.700 -0.454 0.000 0.876 272 K N -0.017 120.265 120.400 -0.197 0.000 3.161 272 K HA -0.119 4.201 4.320 -0.000 0.000 0.270 272 K C -0.456 176.235 176.600 0.152 0.000 1.115 272 K CA 0.743 57.001 56.287 -0.049 0.000 0.789 272 K CB -1.788 30.680 32.500 -0.054 0.000 1.256 272 K HN 0.946 nan 8.250 nan 0.000 0.492 273 G N 1.391 110.280 108.800 0.148 0.000 2.618 273 G HA2 0.243 4.203 3.960 -0.000 0.000 0.280 273 G HA3 0.243 4.203 3.960 -0.000 0.000 0.280 273 G C -1.252 173.753 174.900 0.176 0.000 1.458 273 G CA -0.572 44.720 45.100 0.320 0.000 1.224 273 G HN 0.252 nan 8.290 nan 0.000 0.576 274 E N 2.381 122.675 120.200 0.157 0.000 2.328 274 E HA 0.106 4.456 4.350 -0.000 0.000 0.265 274 E C 0.382 177.077 176.600 0.158 0.000 1.057 274 E CA -0.259 56.225 56.400 0.139 0.000 0.916 274 E CB 0.512 30.312 29.700 0.168 0.000 0.993 274 E HN 0.370 nan 8.360 nan 0.000 0.446 275 R N 4.749 125.307 120.500 0.098 0.000 2.449 275 R HA 0.203 4.543 4.340 -0.000 0.000 0.296 275 R C 0.189 176.530 176.300 0.068 0.000 1.047 275 R CA 0.268 56.414 56.100 0.076 0.000 1.018 275 R CB -0.043 30.285 30.300 0.046 0.000 0.962 275 R HN 0.493 nan 8.270 nan 0.000 0.428 276 I N -2.136 118.472 120.570 0.064 0.000 2.769 276 I HA 0.403 4.573 4.170 -0.000 0.000 0.298 276 I C -0.088 176.044 176.117 0.025 0.000 1.128 276 I CA -1.008 60.313 61.300 0.034 0.000 1.031 276 I CB 2.301 40.312 38.000 0.018 0.000 1.235 276 I HN 0.295 nan 8.210 nan 0.000 0.423 277 T N 2.002 116.564 114.554 0.013 0.000 2.868 277 T HA 0.201 4.551 4.350 -0.000 0.000 0.292 277 T C 0.998 175.707 174.700 0.015 0.000 1.028 277 T CA 0.120 62.229 62.100 0.015 0.000 1.059 277 T CB 0.615 69.492 68.868 0.014 0.000 0.991 277 T HN 0.803 nan 8.240 nan 0.000 0.531 278 N N 2.025 120.738 118.700 0.023 0.000 2.094 278 N HA -0.100 4.640 4.740 -0.000 0.000 0.191 278 N C 1.735 177.258 175.510 0.022 0.000 1.023 278 N CA 1.218 54.285 53.050 0.027 0.000 0.857 278 N CB -0.083 38.426 38.487 0.036 0.000 1.013 278 N HN 0.599 nan 8.380 nan 0.000 0.426 279 E N 0.553 120.766 120.200 0.023 0.000 2.204 279 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 279 E C 1.599 178.193 176.600 -0.011 0.000 0.990 279 E CA 0.628 57.037 56.400 0.015 0.000 0.821 279 E CB -0.078 29.638 29.700 0.026 0.000 0.750 279 E HN 0.575 nan 8.360 nan 0.000 0.477 280 E N 0.617 120.808 120.200 -0.015 0.000 2.107 280 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 280 E C 2.261 178.828 176.600 -0.056 0.000 0.982 280 E CA 0.147 56.523 56.400 -0.040 0.000 0.809 280 E CB 0.024 29.698 29.700 -0.042 0.000 0.756 280 E HN 0.129 nan 8.360 nan 0.000 0.459 281 L N 0.758 121.962 121.223 -0.032 0.000 2.042 281 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 281 L C 2.169 179.027 176.870 -0.021 0.000 1.076 281 L CA 1.140 55.966 54.840 -0.023 0.000 0.749 281 L CB -0.128 41.943 42.059 0.020 0.000 0.893 281 L HN 0.223 nan 8.230 nan 0.000 0.432 282 L N -0.484 120.731 121.223 -0.014 0.000 2.187 282 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 282 L C 1.853 178.703 176.870 -0.032 0.000 1.100 282 L CA 1.270 56.101 54.840 -0.016 0.000 0.765 282 L CB -0.457 41.590 42.059 -0.021 0.000 0.904 282 L HN 0.374 nan 8.230 nan 0.000 0.437 283 E N -0.190 119.981 120.200 -0.047 0.000 2.465 283 E HA 0.146 4.496 4.350 -0.000 0.000 0.191 283 E C 0.241 176.800 176.600 -0.068 0.000 1.053 283 E CA -0.318 56.049 56.400 -0.055 0.000 0.869 283 E CB 0.281 29.946 29.700 -0.058 0.000 0.977 283 E HN 0.403 nan 8.360 nan 0.000 0.483 284 L N 1.410 122.586 121.223 -0.078 0.000 2.461 284 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 284 L C 0.521 177.355 176.870 -0.059 0.000 1.197 284 L CA -0.042 54.732 54.840 -0.111 0.000 0.836 284 L CB 0.298 42.284 42.059 -0.122 0.000 1.105 284 L HN -0.029 nan 8.230 nan 0.000 0.477 285 D N 2.559 122.924 120.400 -0.058 0.000 2.551 285 D HA 0.297 4.937 4.640 -0.000 0.000 0.223 285 D C -0.572 175.734 176.300 0.010 0.000 1.144 285 D CA -0.205 53.783 54.000 -0.020 0.000 1.025 285 D CB 0.182 40.972 40.800 -0.017 0.000 1.085 285 D HN 0.233 nan 8.370 nan 0.000 0.506 286 V N -0.170 119.753 119.914 0.015 0.000 3.001 286 V HA 0.477 4.597 4.120 -0.000 0.000 0.314 286 V C 0.789 176.899 176.094 0.026 0.000 1.099 286 V CA -0.760 61.560 62.300 0.034 0.000 0.989 286 V CB 2.112 33.965 31.823 0.050 0.000 1.040 286 V HN 0.035 nan 8.190 nan 0.000 0.434 287 D N 1.039 121.456 120.400 0.029 0.000 2.103 287 D HA 0.136 4.776 4.640 -0.000 0.000 0.199 287 D C 0.564 176.880 176.300 0.028 0.000 0.978 287 D CA 1.925 55.940 54.000 0.025 0.000 0.829 287 D CB 0.326 41.140 40.800 0.023 0.000 0.981 287 D HN 0.536 nan 8.370 nan 0.000 0.464 288 I N 0.993 121.583 120.570 0.033 0.000 2.465 288 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 288 I C -0.975 175.166 176.117 0.041 0.000 1.014 288 I CA -0.966 60.356 61.300 0.036 0.000 1.093 288 I CB 2.709 40.730 38.000 0.035 0.000 1.267 288 I HN -0.169 nan 8.210 nan 0.000 0.431 289 L N 8.168 129.414 121.223 0.038 0.000 2.298 289 L HA 0.496 4.836 4.340 -0.000 0.000 0.284 289 L C -0.888 176.009 176.870 0.044 0.000 1.013 289 L CA -0.315 54.549 54.840 0.040 0.000 0.824 289 L CB 1.525 43.602 42.059 0.029 0.000 1.221 289 L HN 0.309 nan 8.230 nan 0.000 0.418 290 V N 7.665 127.611 119.914 0.053 0.000 2.259 290 V HA 0.375 4.495 4.120 -0.000 0.000 0.267 290 V C -2.082 174.046 176.094 0.056 0.000 1.051 290 V CA -1.171 61.161 62.300 0.053 0.000 0.830 290 V CB 0.855 32.714 31.823 0.060 0.000 1.080 290 V HN 0.681 nan 8.190 nan 0.000 0.467 291 P HA 0.284 nan 4.420 nan 0.000 0.277 291 P C -0.146 177.180 177.300 0.043 0.000 1.354 291 P CA -0.013 63.115 63.100 0.046 0.000 0.891 291 P CB 1.266 32.989 31.700 0.038 0.000 1.058 292 A N 3.006 125.857 122.820 0.051 0.000 3.154 292 A HA 0.623 4.943 4.320 -0.000 0.000 0.310 292 A C 0.754 178.365 177.584 0.045 0.000 1.093 292 A CA -0.063 52.000 52.037 0.043 0.000 1.006 292 A CB -0.020 19.007 19.000 0.045 0.000 1.084 292 A HN 0.490 nan 8.150 nan 0.000 0.549 293 A N 0.063 122.908 122.820 0.043 0.000 2.017 293 A HA 0.797 5.117 4.320 -0.000 0.000 0.194 293 A C -0.021 177.583 177.584 0.033 0.000 1.985 293 A CA 0.053 52.116 52.037 0.043 0.000 1.584 293 A CB 0.146 19.178 19.000 0.053 0.000 1.244 293 A HN 0.424 nan 8.150 nan 0.000 0.587 294 L N 0.500 121.745 121.223 0.036 0.000 2.298 294 L HA 0.453 4.793 4.340 -0.000 0.000 0.268 294 L C -0.298 176.591 176.870 0.031 0.000 1.010 294 L CA -0.841 54.017 54.840 0.030 0.000 0.812 294 L CB 1.343 43.421 42.059 0.032 0.000 1.331 294 L HN 0.553 nan 8.230 nan 0.000 0.450 295 E N -0.021 120.194 120.200 0.024 0.000 2.392 295 E HA 0.225 4.575 4.350 -0.000 0.000 0.259 295 E C 0.713 177.334 176.600 0.035 0.000 1.108 295 E CA 0.421 56.835 56.400 0.023 0.000 0.916 295 E CB 0.410 30.119 29.700 0.016 0.000 0.989 295 E HN 0.825 nan 8.360 nan 0.000 0.432 296 G N 1.191 110.018 108.800 0.045 0.000 2.212 296 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.267 296 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.267 296 G C 1.008 176.009 174.900 0.167 0.000 1.002 296 G CA 0.763 45.906 45.100 0.072 0.000 0.729 296 G HN 0.659 nan 8.290 nan 0.000 0.517 297 A N -0.355 122.547 122.820 0.137 0.000 1.859 297 A HA 0.152 4.472 4.320 -0.000 0.000 0.217 297 A C 1.445 179.150 177.584 0.202 0.000 1.198 297 A CA 1.472 53.606 52.037 0.163 0.000 0.629 297 A CB -0.146 18.906 19.000 0.086 0.000 0.830 297 A HN 0.903 nan 8.150 nan 0.000 0.446 298 I N 1.996 122.629 120.570 0.106 0.000 2.281 298 I HA 0.227 4.397 4.170 -0.000 0.000 0.293 298 I C 0.176 176.327 176.117 0.057 0.000 1.085 298 I CA -0.446 60.859 61.300 0.007 0.000 1.257 298 I CB 0.154 38.154 38.000 -0.000 0.000 1.430 298 I HN 0.550 nan 8.210 nan 0.000 0.489 299 H N 4.445 123.521 119.070 0.010 0.000 2.824 299 H HA 0.544 5.100 4.556 -0.000 0.000 0.345 299 H C 0.911 176.244 175.328 0.009 0.000 1.252 299 H CA -0.669 55.385 56.048 0.010 0.000 1.246 299 H CB 0.686 30.454 29.762 0.011 0.000 1.908 299 H HN 0.424 nan 8.280 nan 0.000 0.601 300 A N 0.510 123.410 122.820 0.132 0.000 1.906 300 A HA -0.310 4.010 4.320 -0.000 0.000 0.222 300 A C 2.400 179.984 177.584 0.000 0.000 1.282 300 A CA 3.359 55.433 52.037 0.061 0.000 0.675 300 A CB -1.886 17.166 19.000 0.088 0.000 0.838 300 A HN 0.912 nan 8.150 nan 0.000 0.469 301 G N -0.798 108.010 108.800 0.013 0.000 2.418 301 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 301 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 301 G C 1.310 176.131 174.900 -0.131 0.000 1.158 301 G CA 1.385 46.461 45.100 -0.039 0.000 0.771 301 G HN 0.683 nan 8.290 nan 0.000 0.545 302 N N 1.397 119.921 118.700 -0.292 0.000 2.135 302 N HA 0.095 4.835 4.740 -0.000 0.000 0.186 302 N C 2.425 177.857 175.510 -0.131 0.000 1.027 302 N CA 1.204 54.113 53.050 -0.235 0.000 0.849 302 N CB -0.550 37.735 38.487 -0.337 0.000 1.002 302 N HN 0.311 nan 8.380 nan 0.000 0.425 303 A N 1.981 124.733 122.820 -0.114 0.000 1.900 303 A HA -0.329 3.991 4.320 -0.000 0.000 0.225 303 A C 1.973 179.532 177.584 -0.041 0.000 1.414 303 A CA 2.123 54.125 52.037 -0.057 0.000 0.702 303 A CB -0.851 18.129 19.000 -0.033 0.000 0.845 303 A HN 0.298 nan 8.150 nan 0.000 0.478 304 E N -0.498 119.680 120.200 -0.036 0.000 2.160 304 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 304 E C 1.732 178.315 176.600 -0.028 0.000 0.991 304 E CA 1.373 57.758 56.400 -0.025 0.000 0.810 304 E CB -0.259 29.428 29.700 -0.020 0.000 0.742 304 E HN 0.720 nan 8.360 nan 0.000 0.466 305 R N 0.294 120.771 120.500 -0.039 0.000 2.466 305 R HA 0.302 4.642 4.340 -0.000 0.000 0.279 305 R C 0.376 176.652 176.300 -0.039 0.000 0.976 305 R CA -0.161 55.917 56.100 -0.037 0.000 1.081 305 R CB 0.349 30.624 30.300 -0.041 0.000 1.215 305 R HN 0.043 nan 8.270 nan 0.000 0.546 306 I N 1.752 122.300 120.570 -0.037 0.000 2.322 306 I HA 0.048 4.218 4.170 -0.000 0.000 0.292 306 I C 0.889 176.993 176.117 -0.021 0.000 1.060 306 I CA 0.063 61.344 61.300 -0.031 0.000 1.309 306 I CB 1.206 39.188 38.000 -0.029 0.000 1.415 306 I HN 0.033 nan 8.210 nan 0.000 0.492 307 K N 4.822 125.210 120.400 -0.021 0.000 2.487 307 K HA 0.196 4.516 4.320 -0.000 0.000 0.192 307 K C 0.736 177.333 176.600 -0.005 0.000 1.027 307 K CA -0.114 56.164 56.287 -0.014 0.000 1.054 307 K CB 0.263 32.752 32.500 -0.019 0.000 0.824 307 K HN 0.683 nan 8.250 nan 0.000 0.510 308 A N 1.631 124.450 122.820 -0.002 0.000 2.440 308 A HA 0.062 4.382 4.320 -0.000 0.000 0.251 308 A C 0.643 178.234 177.584 0.011 0.000 1.089 308 A CA -0.118 51.923 52.037 0.008 0.000 0.779 308 A CB 0.406 19.413 19.000 0.011 0.000 1.022 308 A HN 0.187 nan 8.150 nan 0.000 0.492 309 K N 1.044 121.454 120.400 0.016 0.000 2.228 309 K HA 0.199 4.519 4.320 -0.000 0.000 0.202 309 K C 0.554 177.170 176.600 0.026 0.000 1.051 309 K CA 1.325 57.623 56.287 0.019 0.000 0.960 309 K CB 0.061 32.573 32.500 0.020 0.000 0.743 309 K HN 0.777 nan 8.250 nan 0.000 0.458 310 A N 0.642 123.480 122.820 0.030 0.000 2.549 310 A HA 0.528 4.848 4.320 -0.000 0.000 0.297 310 A C -1.301 176.306 177.584 0.038 0.000 1.061 310 A CA -0.686 51.375 52.037 0.039 0.000 0.690 310 A CB 1.860 20.891 19.000 0.051 0.000 1.287 310 A HN -0.093 nan 8.150 nan 0.000 0.402 311 V N 2.168 122.106 119.914 0.041 0.000 2.378 311 V HA 0.380 4.500 4.120 -0.000 0.000 0.288 311 V C -0.464 175.658 176.094 0.047 0.000 1.016 311 V CA -0.484 61.839 62.300 0.038 0.000 0.840 311 V CB 1.471 33.311 31.823 0.028 0.000 0.994 311 V HN 0.651 nan 8.190 nan 0.000 0.431 312 V N 4.686 124.629 119.914 0.048 0.000 2.270 312 V HA 0.236 4.356 4.120 -0.000 0.000 0.263 312 V C 0.645 176.765 176.094 0.042 0.000 1.066 312 V CA -0.572 61.760 62.300 0.053 0.000 0.857 312 V CB 0.475 32.328 31.823 0.050 0.000 1.099 312 V HN 0.911 nan 8.190 nan 0.000 0.476 313 E N 3.521 123.741 120.200 0.034 0.000 2.175 313 E HA 0.010 4.360 4.350 -0.000 0.000 0.247 313 E C 1.459 178.070 176.600 0.019 0.000 1.259 313 E CA 0.306 56.718 56.400 0.021 0.000 0.969 313 E CB 0.530 30.233 29.700 0.006 0.000 1.051 313 E HN 0.819 nan 8.360 nan 0.000 0.448 314 G N 2.766 111.581 108.800 0.026 0.000 2.448 314 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.218 314 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.218 314 G C 0.632 175.542 174.900 0.016 0.000 1.135 314 G CA 0.598 45.714 45.100 0.026 0.000 0.784 314 G HN 0.526 nan 8.290 nan 0.000 0.543 315 A N -0.245 122.582 122.820 0.012 0.000 2.352 315 A HA 0.678 4.998 4.320 -0.000 0.000 0.299 315 A C -0.463 177.112 177.584 -0.016 0.000 1.160 315 A CA -0.765 51.274 52.037 0.002 0.000 0.933 315 A CB 0.685 19.692 19.000 0.011 0.000 1.387 315 A HN 0.104 nan 8.150 nan 0.000 0.487 316 N N 0.153 118.838 118.700 -0.026 0.000 2.434 316 N HA 0.424 5.164 4.740 -0.000 0.000 0.272 316 N C 0.639 176.122 175.510 -0.046 0.000 1.040 316 N CA 1.037 54.053 53.050 -0.056 0.000 0.956 316 N CB 1.118 39.563 38.487 -0.069 0.000 1.108 316 N HN 1.316 nan 8.380 nan 0.000 0.481 317 G N 3.243 112.005 108.800 -0.062 0.000 2.341 317 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.292 317 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.292 317 G C -1.537 173.364 174.900 0.001 0.000 1.021 317 G CA -0.260 44.820 45.100 -0.034 0.000 0.905 317 G HN 0.489 nan 8.290 nan 0.000 0.508 318 P HA -0.001 nan 4.420 nan 0.000 0.217 318 P C 1.397 178.723 177.300 0.044 0.000 1.150 318 P CA 1.922 65.040 63.100 0.029 0.000 0.832 318 P CB 0.119 31.835 31.700 0.027 0.000 0.787 319 T N -2.354 112.220 114.554 0.033 0.000 2.767 319 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 319 T C 0.252 174.978 174.700 0.044 0.000 0.963 319 T CA -0.713 61.411 62.100 0.040 0.000 1.019 319 T CB 0.423 69.307 68.868 0.027 0.000 0.923 319 T HN -0.012 nan 8.240 nan 0.000 0.468 320 T N 1.733 116.325 114.554 0.062 0.000 2.860 320 T HA 0.295 4.645 4.350 -0.000 0.000 0.299 320 T C -1.238 173.490 174.700 0.047 0.000 1.045 320 T CA -1.607 60.528 62.100 0.059 0.000 1.071 320 T CB 0.583 69.500 68.868 0.081 0.000 0.985 320 T HN 0.387 nan 8.240 nan 0.000 0.537 321 P HA -0.153 nan 4.420 nan 0.000 0.216 321 P C 1.255 178.574 177.300 0.031 0.000 1.150 321 P CA 1.203 64.324 63.100 0.035 0.000 0.837 321 P CB 0.160 31.879 31.700 0.032 0.000 0.786 322 E N 0.547 120.768 120.200 0.035 0.000 2.058 322 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 322 E C 2.283 178.900 176.600 0.029 0.000 0.997 322 E CA 1.573 57.992 56.400 0.033 0.000 0.801 322 E CB -1.228 28.497 29.700 0.042 0.000 0.746 322 E HN 0.255 nan 8.360 nan 0.000 0.450 323 A N 1.965 124.806 122.820 0.036 0.000 1.933 323 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 323 A C 1.908 179.503 177.584 0.018 0.000 1.175 323 A CA 1.733 53.784 52.037 0.023 0.000 0.628 323 A CB -0.412 18.604 19.000 0.027 0.000 0.814 323 A HN 0.082 nan 8.150 nan 0.000 0.444 324 D N -0.144 120.270 120.400 0.023 0.000 2.106 324 D HA -0.171 4.469 4.640 -0.000 0.000 0.191 324 D C 1.934 178.244 176.300 0.016 0.000 0.997 324 D CA 1.657 55.669 54.000 0.021 0.000 0.834 324 D CB -0.418 40.398 40.800 0.027 0.000 0.956 324 D HN 0.639 nan 8.370 nan 0.000 0.448 325 E N 0.211 120.420 120.200 0.015 0.000 2.070 325 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 325 E C 2.430 179.036 176.600 0.009 0.000 1.004 325 E CA 0.768 57.175 56.400 0.012 0.000 0.805 325 E CB -0.132 29.575 29.700 0.011 0.000 0.744 325 E HN 0.361 nan 8.360 nan 0.000 0.451 326 I N 0.872 121.447 120.570 0.008 0.000 2.202 326 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 326 I C 2.428 178.547 176.117 0.003 0.000 1.091 326 I CA 0.926 62.229 61.300 0.004 0.000 1.368 326 I CB -0.272 37.729 38.000 0.002 0.000 1.058 326 I HN 0.096 nan 8.210 nan 0.000 0.410 327 L N 0.025 121.250 121.223 0.004 0.000 2.046 327 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 327 L C 2.705 179.578 176.870 0.006 0.000 1.077 327 L CA 1.321 56.163 54.840 0.004 0.000 0.747 327 L CB -0.603 41.460 42.059 0.006 0.000 0.896 327 L HN 0.191 nan 8.230 nan 0.000 0.432 328 S N -0.701 115.004 115.700 0.008 0.000 2.383 328 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 328 S C 2.047 176.650 174.600 0.006 0.000 1.026 328 S CA 1.038 59.243 58.200 0.008 0.000 0.981 328 S CB -0.287 62.918 63.200 0.008 0.000 0.818 328 S HN 0.324 nan 8.310 nan 0.000 0.472 329 R N 1.267 121.770 120.500 0.006 0.000 2.096 329 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 329 R C 2.014 178.316 176.300 0.004 0.000 1.127 329 R CA 1.146 57.249 56.100 0.004 0.000 0.968 329 R CB -0.065 30.237 30.300 0.004 0.000 0.861 329 R HN 0.298 nan 8.270 nan 0.000 0.440 330 R N -1.045 119.457 120.500 0.003 0.000 2.307 330 R HA 0.054 4.394 4.340 -0.000 0.000 0.199 330 R C 1.029 177.332 176.300 0.004 0.000 1.000 330 R CA 0.609 56.711 56.100 0.002 0.000 1.023 330 R CB 0.317 30.617 30.300 0.000 0.000 0.908 330 R HN 0.513 nan 8.270 nan 0.000 0.473 331 G N 1.419 110.223 108.800 0.006 0.000 2.143 331 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.249 331 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.249 331 G C 0.156 175.063 174.900 0.011 0.000 0.981 331 G CA -0.259 44.846 45.100 0.008 0.000 0.665 331 G HN 0.247 nan 8.290 nan 0.000 0.528 332 I N 1.047 121.624 120.570 0.010 0.000 2.396 332 I HA 0.313 4.483 4.170 -0.000 0.000 0.289 332 I C 0.834 176.961 176.117 0.017 0.000 1.056 332 I CA -0.871 60.437 61.300 0.014 0.000 1.365 332 I CB 1.033 39.039 38.000 0.010 0.000 1.407 332 I HN 0.139 nan 8.210 nan 0.000 0.509 333 L N 9.096 130.334 121.223 0.025 0.000 2.410 333 L HA 0.221 4.561 4.340 -0.000 0.000 0.273 333 L C -0.369 176.521 176.870 0.033 0.000 1.144 333 L CA 0.417 55.275 54.840 0.030 0.000 0.863 333 L CB 0.791 42.879 42.059 0.048 0.000 1.140 333 L HN 0.333 nan 8.230 nan 0.000 0.463 334 V N 6.509 126.438 119.914 0.025 0.000 2.325 334 V HA 0.255 4.375 4.120 -0.000 0.000 0.280 334 V C -0.214 175.893 176.094 0.022 0.000 1.016 334 V CA -0.803 61.512 62.300 0.025 0.000 0.818 334 V CB 1.441 33.274 31.823 0.017 0.000 1.019 334 V HN 0.534 nan 8.190 nan 0.000 0.434 335 V N 8.395 128.339 119.914 0.050 0.000 2.446 335 V HA 0.156 4.276 4.120 -0.000 0.000 0.276 335 V C -1.581 174.525 176.094 0.019 0.000 1.030 335 V CA -1.268 61.068 62.300 0.060 0.000 1.033 335 V CB 0.656 32.575 31.823 0.160 0.000 0.993 335 V HN 0.681 nan 8.190 nan 0.000 0.477 336 P HA 0.023 nan 4.420 nan 0.000 0.265 336 P C 0.201 177.466 177.300 -0.058 0.000 1.193 336 P CA -0.012 63.050 63.100 -0.064 0.000 0.765 336 P CB 0.740 32.356 31.700 -0.140 0.000 0.823 337 D N 3.913 124.274 120.400 -0.064 0.000 2.133 337 D HA -0.255 4.385 4.640 -0.000 0.000 0.195 337 D C 1.762 178.019 176.300 -0.072 0.000 0.997 337 D CA 1.294 55.259 54.000 -0.058 0.000 0.840 337 D CB -1.088 39.669 40.800 -0.072 0.000 0.947 337 D HN 0.504 nan 8.370 nan 0.000 0.452 338 I N -1.865 118.630 120.570 -0.124 0.000 2.502 338 I HA -0.191 3.979 4.170 -0.000 0.000 0.258 338 I C 2.033 178.112 176.117 -0.064 0.000 1.172 338 I CA 1.075 62.310 61.300 -0.109 0.000 1.430 338 I CB -0.333 37.560 38.000 -0.179 0.000 1.086 338 I HN 0.108 nan 8.210 nan 0.000 0.440 339 L N 1.453 122.643 121.223 -0.057 0.000 2.269 339 L HA 0.368 4.708 4.340 -0.000 0.000 0.200 339 L C 2.618 179.510 176.870 0.037 0.000 1.069 339 L CA 1.696 56.535 54.840 -0.002 0.000 0.804 339 L CB -0.843 41.218 42.059 0.005 0.000 0.987 339 L HN 0.135 nan 8.230 nan 0.000 0.468 340 A N 1.220 124.062 122.820 0.036 0.000 1.859 340 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 340 A C 1.812 179.412 177.584 0.028 0.000 1.198 340 A CA 2.176 54.240 52.037 0.047 0.000 0.629 340 A CB -1.304 17.721 19.000 0.041 0.000 0.830 340 A HN 0.755 nan 8.150 nan 0.000 0.446 341 N N -0.016 118.690 118.700 0.011 0.000 2.383 341 N HA 0.318 5.058 4.740 -0.000 0.000 0.192 341 N C 1.011 176.523 175.510 0.004 0.000 1.141 341 N CA 0.999 54.053 53.050 0.008 0.000 0.851 341 N CB -0.417 38.070 38.487 0.000 0.000 0.976 341 N HN 0.361 nan 8.380 nan 0.000 0.465 342 A N 0.366 123.190 122.820 0.007 0.000 2.131 342 A HA 0.072 4.392 4.320 -0.000 0.000 0.220 342 A C 2.230 179.816 177.584 0.003 0.000 1.158 342 A CA 1.174 53.214 52.037 0.006 0.000 0.665 342 A CB -1.374 17.632 19.000 0.011 0.000 0.795 342 A HN 0.424 nan 8.150 nan 0.000 0.460 343 G N -0.043 108.763 108.800 0.009 0.000 2.503 343 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.221 343 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.221 343 G C 1.500 176.393 174.900 -0.012 0.000 1.131 343 G CA 1.331 46.435 45.100 0.007 0.000 0.756 343 G HN 0.692 nan 8.290 nan 0.000 0.572 344 G N 0.358 109.151 108.800 -0.012 0.000 2.459 344 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 344 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 344 G C 1.789 176.674 174.900 -0.025 0.000 1.183 344 G CA 1.362 46.451 45.100 -0.018 0.000 0.776 344 G HN 0.350 nan 8.290 nan 0.000 0.552 345 V N 1.212 121.114 119.914 -0.019 0.000 2.343 345 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 345 V C 3.160 179.247 176.094 -0.012 0.000 1.051 345 V CA 2.293 64.589 62.300 -0.007 0.000 1.036 345 V CB -1.103 30.726 31.823 0.010 0.000 0.654 345 V HN 0.416 nan 8.190 nan 0.000 0.451 346 T N 0.165 114.676 114.554 -0.071 0.000 2.699 346 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 346 T C 1.913 176.289 174.700 -0.540 0.000 1.036 346 T CA 1.767 63.729 62.100 -0.230 0.000 1.147 346 T CB -0.344 68.426 68.868 -0.163 0.000 0.862 346 T HN 0.316 nan 8.240 nan 0.000 0.446 347 V N 2.086 121.841 119.914 -0.264 0.000 2.453 347 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 347 V C 2.852 178.915 176.094 -0.050 0.000 1.048 347 V CA 1.777 63.996 62.300 -0.135 0.000 1.049 347 V CB -0.827 31.018 31.823 0.037 0.000 0.672 347 V HN 0.687 nan 8.190 nan 0.000 0.457 348 S N 0.010 115.703 115.700 -0.012 0.000 2.382 348 S HA -0.300 4.170 4.470 -0.000 0.000 0.228 348 S C 2.036 176.747 174.600 0.184 0.000 1.027 348 S CA 1.795 60.026 58.200 0.052 0.000 0.991 348 S CB -0.781 62.422 63.200 0.005 0.000 0.823 348 S HN 0.648 nan 8.310 nan 0.000 0.469 349 Y N 2.323 122.688 120.300 0.109 0.000 2.145 349 Y HA -0.057 4.493 4.550 -0.000 0.000 0.286 349 Y C 1.766 177.866 175.900 0.332 0.000 1.145 349 Y CA 1.028 59.336 58.100 0.346 0.000 1.148 349 Y CB -0.944 37.595 38.460 0.131 0.000 0.981 349 Y HN 0.217 nan 8.280 nan 0.000 0.507 350 F N 1.155 121.035 119.950 -0.117 0.000 2.161 350 F HA -0.159 4.368 4.527 0.000 0.000 0.300 350 F C 2.622 178.149 175.800 -0.454 0.000 1.089 350 F CA 1.480 59.238 58.000 -0.402 0.000 1.282 350 F CB -1.321 37.549 39.000 -0.217 0.000 1.010 350 F HN 0.266 nan 8.300 nan 0.000 0.485 351 E N -0.719 119.480 120.200 -0.001 0.000 2.031 351 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 351 E C 2.246 178.868 176.600 0.038 0.000 0.994 351 E CA 1.513 57.908 56.400 -0.008 0.000 0.800 351 E CB -0.535 29.202 29.700 0.063 0.000 0.752 351 E HN 0.401 nan 8.360 nan 0.000 0.447 352 W N 1.063 122.341 121.300 -0.037 0.000 2.318 352 W HA -0.259 4.401 4.660 0.000 0.000 0.313 352 W C 1.954 178.441 176.519 -0.053 0.000 1.221 352 W CA 1.960 59.315 57.345 0.015 0.000 1.266 352 W CB -0.651 28.934 29.460 0.208 0.000 1.150 352 W HN -0.032 nan 8.180 nan 0.000 0.496 353 V N 0.893 120.714 119.914 -0.155 0.000 2.220 353 V HA -0.403 3.717 4.120 -0.000 0.000 0.246 353 V C 2.371 178.243 176.094 -0.370 0.000 1.049 353 V CA 2.588 64.686 62.300 -0.337 0.000 1.003 353 V CB -1.449 30.237 31.823 -0.229 0.000 0.634 353 V HN 0.249 nan 8.190 nan 0.000 0.444 354 Q N -0.270 119.236 119.800 -0.490 0.000 2.133 354 Q HA -0.278 4.062 4.340 -0.000 0.000 0.208 354 Q C 2.103 177.730 176.000 -0.622 0.000 0.991 354 Q CA 2.059 57.484 55.803 -0.630 0.000 0.867 354 Q CB -0.356 27.908 28.738 -0.791 0.000 0.911 354 Q HN 0.662 nan 8.270 nan 0.000 0.417 355 D N 0.469 120.633 120.400 -0.394 0.000 2.097 355 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 355 D C 2.013 178.155 176.300 -0.263 0.000 0.989 355 D CA 0.963 54.815 54.000 -0.246 0.000 0.827 355 D CB -0.208 40.558 40.800 -0.057 0.000 0.966 355 D HN 0.237 nan 8.370 nan 0.000 0.456 356 L N 0.691 121.696 121.223 -0.364 0.000 2.043 356 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 356 L C 2.332 179.093 176.870 -0.183 0.000 1.075 356 L CA 1.420 56.071 54.840 -0.315 0.000 0.752 356 L CB -0.500 41.273 42.059 -0.477 0.000 0.891 356 L HN 0.172 nan 8.230 nan 0.000 0.432 357 Q N -1.410 118.274 119.800 -0.194 0.000 2.280 357 Q HA 0.114 4.454 4.340 -0.000 0.000 0.201 357 Q C 0.697 176.628 176.000 -0.114 0.000 0.890 357 Q CA 0.481 56.217 55.803 -0.113 0.000 0.947 357 Q CB 0.573 29.274 28.738 -0.061 0.000 1.081 357 Q HN 0.224 nan 8.270 nan 0.000 0.502 358 S N -0.296 115.266 115.700 -0.231 0.000 3.319 358 S HA -0.226 4.244 4.470 -0.000 0.000 0.319 358 S C -0.382 174.017 174.600 -0.334 0.000 1.236 358 S CA 1.093 59.131 58.200 -0.269 0.000 0.964 358 S CB -1.432 61.746 63.200 -0.036 0.000 1.040 358 S HN 0.668 nan 8.310 nan 0.000 0.620 359 F N 1.223 120.848 119.950 -0.542 0.000 2.458 359 F HA 0.666 5.193 4.527 -0.000 0.000 0.336 359 F C -0.430 175.049 175.800 -0.535 0.000 1.114 359 F CA -1.306 56.499 58.000 -0.326 0.000 0.987 359 F CB 0.754 39.702 39.000 -0.087 0.000 1.130 359 F HN -0.034 nan 8.300 nan 0.000 0.458 360 F N 4.532 124.232 119.950 -0.417 0.000 2.443 360 F HA 0.400 4.927 4.527 -0.000 0.000 0.335 360 F C -0.744 174.947 175.800 -0.182 0.000 1.104 360 F CA -0.871 56.940 58.000 -0.316 0.000 1.013 360 F CB 0.799 39.640 39.000 -0.264 0.000 1.136 360 F HN 0.301 nan 8.300 nan 0.000 0.470 361 W N 1.487 122.780 121.300 -0.010 0.000 2.303 361 W HA 0.332 4.992 4.660 -0.000 0.000 0.334 361 W C -0.217 176.289 176.519 -0.023 0.000 1.197 361 W CA -1.640 55.686 57.345 -0.032 0.000 1.262 361 W CB 0.108 29.548 29.460 -0.035 0.000 1.153 361 W HN 0.532 nan 8.180 nan 0.000 0.596 362 D N -0.162 120.359 120.400 0.203 0.000 2.312 362 D HA 0.226 4.866 4.640 -0.000 0.000 0.248 362 D C 1.218 177.580 176.300 0.105 0.000 1.086 362 D CA -0.699 53.362 54.000 0.102 0.000 0.948 362 D CB 1.027 41.860 40.800 0.055 0.000 1.162 362 D HN 0.099 nan 8.370 nan 0.000 0.446 363 L N 1.372 122.631 121.223 0.060 0.000 2.040 363 L HA -0.330 4.010 4.340 -0.000 0.000 0.228 363 L C 1.195 178.097 176.870 0.054 0.000 1.092 363 L CA 2.327 57.197 54.840 0.049 0.000 0.805 363 L CB -1.066 41.005 42.059 0.021 0.000 0.905 363 L HN 0.655 nan 8.230 nan 0.000 0.443 364 D N -1.380 119.042 120.400 0.036 0.000 2.126 364 D HA -0.281 4.359 4.640 -0.000 0.000 0.190 364 D C 2.145 178.456 176.300 0.019 0.000 1.001 364 D CA 1.938 55.951 54.000 0.022 0.000 0.841 364 D CB -0.179 40.627 40.800 0.009 0.000 0.949 364 D HN 0.566 nan 8.370 nan 0.000 0.446 365 Q N 0.098 119.911 119.800 0.022 0.000 2.077 365 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 365 Q C 2.430 178.438 176.000 0.014 0.000 0.989 365 Q CA 1.223 57.010 55.803 -0.026 0.000 0.853 365 Q CB -0.185 28.532 28.738 -0.035 0.000 0.907 365 Q HN 0.238 nan 8.270 nan 0.000 0.418 366 V N 1.026 121.027 119.914 0.144 0.000 2.287 366 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 366 V C 2.231 178.411 176.094 0.142 0.000 1.053 366 V CA 2.044 64.455 62.300 0.184 0.000 1.027 366 V CB -0.627 31.325 31.823 0.214 0.000 0.646 366 V HN 0.316 nan 8.190 nan 0.000 0.447 367 R N 0.321 120.878 120.500 0.095 0.000 2.080 367 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 367 R C 2.207 178.547 176.300 0.067 0.000 1.137 367 R CA 2.192 58.338 56.100 0.076 0.000 0.943 367 R CB -0.604 29.719 30.300 0.038 0.000 0.846 367 R HN 0.632 nan 8.270 nan 0.000 0.431 368 N N 0.324 119.039 118.700 0.025 0.000 2.069 368 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 368 N C 1.814 177.334 175.510 0.016 0.000 1.031 368 N CA 1.350 54.402 53.050 0.004 0.000 0.852 368 N CB -0.170 38.295 38.487 -0.036 0.000 1.018 368 N HN 0.248 nan 8.380 nan 0.000 0.423 369 A N 0.792 123.595 122.820 -0.028 0.000 1.902 369 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 369 A C 2.115 179.871 177.584 0.286 0.000 1.181 369 A CA 0.983 53.000 52.037 -0.034 0.000 0.623 369 A CB -0.713 17.990 19.000 -0.495 0.000 0.818 369 A HN 0.268 nan 8.150 nan 0.000 0.443 370 L N 0.177 121.638 121.223 0.396 0.000 2.017 370 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 370 L C 2.184 179.190 176.870 0.227 0.000 1.073 370 L CA 2.471 57.573 54.840 0.436 0.000 0.745 370 L CB -0.719 41.542 42.059 0.336 0.000 0.894 370 L HN 0.513 nan 8.230 nan 0.000 0.432 371 E N -0.539 119.747 120.200 0.145 0.000 2.106 371 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 371 E C 2.120 178.771 176.600 0.086 0.000 0.984 371 E CA 1.123 57.575 56.400 0.086 0.000 0.806 371 E CB -0.132 29.597 29.700 0.048 0.000 0.750 371 E HN 0.492 nan 8.360 nan 0.000 0.458 372 K N 0.958 121.417 120.400 0.097 0.000 2.009 372 K HA -0.171 4.149 4.320 -0.000 0.000 0.210 372 K C 2.154 178.822 176.600 0.113 0.000 1.049 372 K CA 1.522 57.861 56.287 0.086 0.000 0.929 372 K CB -0.039 32.505 32.500 0.073 0.000 0.714 372 K HN 0.057 nan 8.250 nan 0.000 0.440 373 M N -0.055 119.646 119.600 0.169 0.000 2.229 373 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 373 M C 2.246 178.624 176.300 0.130 0.000 1.063 373 M CA 1.034 56.434 55.300 0.167 0.000 1.114 373 M CB -0.122 32.619 32.600 0.235 0.000 1.387 373 M HN 0.226 nan 8.290 nan 0.000 0.420 374 M N 0.461 120.134 119.600 0.122 0.000 2.086 374 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 374 M C 1.976 178.344 176.300 0.114 0.000 1.067 374 M CA 1.869 57.231 55.300 0.103 0.000 1.116 374 M CB -1.035 31.609 32.600 0.073 0.000 1.348 374 M HN 0.184 nan 8.290 nan 0.000 0.407 375 K N -0.562 119.887 120.400 0.081 0.000 2.063 375 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 375 K C 2.064 178.748 176.600 0.139 0.000 1.048 375 K CA 1.393 57.728 56.287 0.081 0.000 0.928 375 K CB -0.570 31.955 32.500 0.041 0.000 0.713 375 K HN 0.472 nan 8.250 nan 0.000 0.442 376 G N 1.329 110.195 108.800 0.112 0.000 2.453 376 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 376 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 376 G C 1.661 176.625 174.900 0.106 0.000 1.201 376 G CA 1.076 46.235 45.100 0.100 0.000 0.784 376 G HN 0.365 nan 8.290 nan 0.000 0.545 377 A N 0.200 123.085 122.820 0.109 0.000 1.908 377 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 377 A C 2.202 179.847 177.584 0.101 0.000 1.181 377 A CA 1.679 53.767 52.037 0.086 0.000 0.627 377 A CB -0.602 18.445 19.000 0.078 0.000 0.818 377 A HN 0.395 nan 8.150 nan 0.000 0.445 378 F N 1.426 121.380 119.950 0.007 0.000 2.046 378 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 378 F C 2.244 178.046 175.800 0.003 0.000 1.123 378 F CA 2.271 60.272 58.000 0.002 0.000 1.199 378 F CB -0.215 38.790 39.000 0.008 0.000 0.972 378 F HN 0.232 nan 8.300 nan 0.000 0.474 379 N N 0.658 119.489 118.700 0.218 0.000 2.104 379 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 379 N C 1.383 176.895 175.510 0.004 0.000 1.024 379 N CA 1.719 54.832 53.050 0.105 0.000 0.853 379 N CB -0.747 37.816 38.487 0.127 0.000 1.008 379 N HN 0.370 nan 8.380 nan 0.000 0.424 380 D N 0.487 120.892 120.400 0.009 0.000 2.144 380 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 380 D C 2.104 178.371 176.300 -0.054 0.000 0.984 380 D CA 0.489 54.481 54.000 -0.013 0.000 0.834 380 D CB -0.288 40.513 40.800 0.000 0.000 0.955 380 D HN 0.045 nan 8.370 nan 0.000 0.465 381 V N 0.856 120.707 119.914 -0.105 0.000 2.358 381 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 381 V C 2.501 178.492 176.094 -0.171 0.000 1.047 381 V CA 1.097 63.304 62.300 -0.155 0.000 1.035 381 V CB -0.320 31.369 31.823 -0.224 0.000 0.658 381 V HN 0.224 nan 8.190 nan 0.000 0.452 382 M N -0.298 119.167 119.600 -0.226 0.000 2.108 382 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 382 M C 2.247 178.501 176.300 -0.076 0.000 1.066 382 M CA 1.852 57.044 55.300 -0.180 0.000 1.107 382 M CB -0.852 31.639 32.600 -0.181 0.000 1.356 382 M HN 0.347 nan 8.290 nan 0.000 0.406 383 K N -0.151 120.221 120.400 -0.047 0.000 2.044 383 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 383 K C 1.918 178.527 176.600 0.014 0.000 1.049 383 K CA 1.465 57.746 56.287 -0.010 0.000 0.927 383 K CB -0.423 32.075 32.500 -0.003 0.000 0.713 383 K HN 0.173 nan 8.250 nan 0.000 0.443 384 V N 1.836 121.758 119.914 0.012 0.000 2.427 384 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 384 V C 2.364 178.514 176.094 0.093 0.000 1.051 384 V CA 1.629 63.972 62.300 0.072 0.000 1.048 384 V CB -0.462 31.355 31.823 -0.010 0.000 0.666 384 V HN 0.341 nan 8.190 nan 0.000 0.456 385 K N 0.397 120.800 120.400 0.005 0.000 2.009 385 K HA -0.253 4.067 4.320 -0.000 0.000 0.210 385 K C 2.157 178.781 176.600 0.039 0.000 1.049 385 K CA 2.150 58.438 56.287 0.002 0.000 0.929 385 K CB -0.163 32.303 32.500 -0.057 0.000 0.714 385 K HN 0.583 nan 8.250 nan 0.000 0.440 386 E N 0.385 120.597 120.200 0.020 0.000 2.077 386 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 386 E C 2.092 178.706 176.600 0.023 0.000 0.989 386 E CA 1.238 57.648 56.400 0.016 0.000 0.800 386 E CB -0.029 29.673 29.700 0.003 0.000 0.746 386 E HN 0.282 nan 8.360 nan 0.000 0.452 387 K N 0.205 120.631 120.400 0.044 0.000 2.103 387 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 387 K C 1.346 177.897 176.600 -0.081 0.000 1.048 387 K CA 1.401 57.683 56.287 -0.009 0.000 0.930 387 K CB -0.008 32.509 32.500 0.028 0.000 0.716 387 K HN 0.179 nan 8.250 nan 0.000 0.444 388 Y N -0.397 119.883 120.300 -0.033 0.000 2.458 388 Y HA 0.117 4.667 4.550 -0.000 0.000 0.254 388 Y C 0.180 176.064 175.900 -0.028 0.000 1.120 388 Y CA 0.028 58.109 58.100 -0.031 0.000 1.282 388 Y CB 0.349 38.787 38.460 -0.036 0.000 1.109 388 Y HN 0.205 nan 8.280 nan 0.000 0.526 389 N N 0.601 119.363 118.700 0.102 0.000 2.696 389 N HA -0.161 4.579 4.740 -0.000 0.000 0.256 389 N C -1.040 174.502 175.510 0.053 0.000 1.031 389 N CA 0.710 53.791 53.050 0.051 0.000 0.730 389 N CB -0.944 37.557 38.487 0.023 0.000 0.894 389 N HN 0.190 nan 8.380 nan 0.000 0.544 390 V N -2.933 117.013 119.914 0.054 0.000 3.145 390 V HA 0.678 4.798 4.120 -0.000 0.000 0.311 390 V C 0.377 176.475 176.094 0.007 0.000 1.238 390 V CA -0.881 61.437 62.300 0.030 0.000 1.066 390 V CB 1.359 33.197 31.823 0.025 0.000 1.144 390 V HN 0.201 nan 8.190 nan 0.000 0.465 391 D N 0.001 120.402 120.400 0.002 0.000 2.424 391 D HA 0.139 4.779 4.640 -0.000 0.000 0.244 391 D C 1.041 177.328 176.300 -0.022 0.000 1.134 391 D CA 0.378 54.376 54.000 -0.004 0.000 0.881 391 D CB 1.182 41.987 40.800 0.008 0.000 1.191 391 D HN 0.722 nan 8.370 nan 0.000 0.445 392 M N 3.606 123.181 119.600 -0.042 0.000 2.143 392 M HA -0.248 4.232 4.480 -0.000 0.000 0.258 392 M C 1.998 178.246 176.300 -0.086 0.000 1.071 392 M CA 1.584 56.833 55.300 -0.085 0.000 1.088 392 M CB 0.046 32.578 32.600 -0.113 0.000 1.360 392 M HN 0.511 nan 8.290 nan 0.000 0.404 393 R N -0.746 119.728 120.500 -0.042 0.000 2.082 393 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 393 R C 1.817 178.144 176.300 0.046 0.000 1.136 393 R CA 2.441 58.527 56.100 -0.024 0.000 0.935 393 R CB -0.590 29.749 30.300 0.066 0.000 0.842 393 R HN 0.383 nan 8.270 nan 0.000 0.430 394 T N 0.823 115.431 114.554 0.091 0.000 2.720 394 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 394 T C 1.854 176.546 174.700 -0.014 0.000 1.037 394 T CA 1.404 63.562 62.100 0.097 0.000 1.144 394 T CB -0.391 68.483 68.868 0.011 0.000 0.864 394 T HN 0.478 nan 8.240 nan 0.000 0.444 395 A N 1.662 124.436 122.820 -0.076 0.000 1.883 395 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 395 A C 2.709 180.205 177.584 -0.147 0.000 1.186 395 A CA 2.004 53.960 52.037 -0.134 0.000 0.624 395 A CB -1.253 17.683 19.000 -0.107 0.000 0.822 395 A HN 0.533 nan 8.150 nan 0.000 0.444 396 A N -1.489 121.232 122.820 -0.164 0.000 1.908 396 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 396 A C 2.091 179.539 177.584 -0.226 0.000 1.181 396 A CA 1.732 53.637 52.037 -0.221 0.000 0.627 396 A CB -0.813 17.999 19.000 -0.313 0.000 0.818 396 A HN 0.593 nan 8.150 nan 0.000 0.445 397 Y N -0.224 120.009 120.300 -0.111 0.000 2.242 397 Y HA -0.082 4.468 4.550 0.000 0.000 0.291 397 Y C 2.223 177.969 175.900 -0.255 0.000 1.137 397 Y CA 1.071 59.073 58.100 -0.164 0.000 1.181 397 Y CB -0.403 37.961 38.460 -0.160 0.000 0.989 397 Y HN 0.224 nan 8.280 nan 0.000 0.527 398 I N -0.936 119.558 120.570 -0.128 0.000 2.142 398 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 398 I C 2.345 178.356 176.117 -0.177 0.000 1.078 398 I CA 1.061 62.208 61.300 -0.255 0.000 1.343 398 I CB -0.489 37.235 38.000 -0.460 0.000 1.046 398 I HN 0.210 nan 8.210 nan 0.000 0.405 399 L N 1.425 122.569 121.223 -0.133 0.000 2.012 399 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 399 L C 2.563 179.430 176.870 -0.006 0.000 1.073 399 L CA 2.302 57.102 54.840 -0.066 0.000 0.748 399 L CB -1.042 40.981 42.059 -0.060 0.000 0.891 399 L HN 0.211 nan 8.230 nan 0.000 0.431 400 A N -0.134 122.696 122.820 0.016 0.000 1.865 400 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 400 A C 2.305 180.002 177.584 0.189 0.000 1.191 400 A CA 2.341 54.470 52.037 0.154 0.000 0.623 400 A CB -1.019 18.128 19.000 0.245 0.000 0.826 400 A HN 0.546 nan 8.150 nan 0.000 0.444 401 I N -0.444 120.098 120.570 -0.046 0.000 2.286 401 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 401 I C 2.274 178.430 176.117 0.065 0.000 1.115 401 I CA 1.792 63.032 61.300 -0.100 0.000 1.392 401 I CB -0.425 37.375 38.000 -0.333 0.000 1.065 401 I HN 0.379 nan 8.210 nan 0.000 0.418 402 D N 0.948 121.362 120.400 0.024 0.000 2.078 402 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 402 D C 2.366 178.742 176.300 0.128 0.000 0.990 402 D CA 1.529 55.563 54.000 0.056 0.000 0.827 402 D CB 0.031 40.838 40.800 0.011 0.000 0.975 402 D HN 0.098 nan 8.370 nan 0.000 0.451 403 R N -0.224 120.352 120.500 0.127 0.000 2.096 403 R HA -0.113 4.227 4.340 -0.000 0.000 0.240 403 R C 2.444 178.877 176.300 0.222 0.000 1.139 403 R CA 1.308 57.506 56.100 0.163 0.000 0.952 403 R CB -0.578 29.798 30.300 0.126 0.000 0.854 403 R HN 0.178 nan 8.270 nan 0.000 0.436 404 V N 0.977 121.044 119.914 0.254 0.000 2.407 404 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 404 V C 2.460 178.688 176.094 0.223 0.000 1.055 404 V CA 1.917 64.374 62.300 0.262 0.000 1.049 404 V CB -0.721 31.364 31.823 0.438 0.000 0.662 404 V HN 0.419 nan 8.190 nan 0.000 0.455 405 A N -0.846 122.114 122.820 0.233 0.000 1.902 405 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 405 A C 2.165 179.857 177.584 0.181 0.000 1.181 405 A CA 1.971 54.123 52.037 0.191 0.000 0.623 405 A CB -0.758 18.345 19.000 0.171 0.000 0.818 405 A HN 0.598 nan 8.150 nan 0.000 0.443 406 Y N 0.785 121.129 120.300 0.074 0.000 2.097 406 Y HA -0.173 4.377 4.550 -0.000 0.000 0.282 406 Y C 2.722 178.652 175.900 0.050 0.000 1.152 406 Y CA 1.392 59.525 58.100 0.055 0.000 1.136 406 Y CB -0.818 37.672 38.460 0.049 0.000 0.975 406 Y HN 0.311 nan 8.280 nan 0.000 0.498 407 A N -0.391 122.450 122.820 0.035 0.000 1.892 407 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 407 A C 2.341 179.875 177.584 -0.083 0.000 1.188 407 A CA 3.102 55.099 52.037 -0.067 0.000 0.631 407 A CB -1.657 17.365 19.000 0.036 0.000 0.822 407 A HN 0.650 nan 8.150 nan 0.000 0.447 408 T N -1.942 112.603 114.554 -0.015 0.000 2.788 408 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 408 T C 1.830 176.507 174.700 -0.038 0.000 1.044 408 T CA 1.592 63.685 62.100 -0.012 0.000 1.139 408 T CB -0.311 68.575 68.868 0.030 0.000 0.867 408 T HN 0.543 nan 8.240 nan 0.000 0.454 409 K N 0.776 121.146 120.400 -0.050 0.000 2.002 409 K HA -0.010 4.310 4.320 -0.000 0.000 0.209 409 K C 2.699 179.227 176.600 -0.119 0.000 1.048 409 K CA 1.082 57.333 56.287 -0.059 0.000 0.930 409 K CB -0.101 32.382 32.500 -0.029 0.000 0.714 409 K HN 0.137 nan 8.250 nan 0.000 0.438 410 K N 0.965 121.215 120.400 -0.250 0.000 2.103 410 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 410 K C 2.159 178.673 176.600 -0.143 0.000 1.048 410 K CA 1.280 57.412 56.287 -0.258 0.000 0.930 410 K CB -0.118 32.103 32.500 -0.464 0.000 0.716 410 K HN 0.164 nan 8.250 nan 0.000 0.444 411 R N -0.513 119.917 120.500 -0.117 0.000 2.055 411 R HA -0.013 4.327 4.340 -0.000 0.000 0.228 411 R C 0.972 177.245 176.300 -0.046 0.000 1.143 411 R CA 0.969 57.028 56.100 -0.068 0.000 0.945 411 R CB -0.097 30.172 30.300 -0.052 0.000 0.841 411 R HN 0.344 nan 8.270 nan 0.000 0.429 412 G N 0.000 108.776 108.800 -0.040 0.000 5.446 412 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 412 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 412 G CA 0.000 45.085 45.100 -0.024 0.000 0.502 412 G HN 0.000 nan 8.290 nan 0.000 0.925