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 2aj8_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.644 174.600 0.073 0.000 1.055 39 S CA 0.000 58.233 58.200 0.055 0.000 1.107 39 S CB 0.000 63.224 63.200 0.041 0.000 0.593 40 R N 1.180 121.738 120.500 0.096 0.000 3.160 40 R HA 0.373 4.342 4.340 -0.617 0.000 0.266 40 R C 0.808 177.171 176.300 0.105 0.000 1.167 40 R CA -0.312 55.848 56.100 0.099 0.000 1.124 40 R CB 0.183 30.546 30.300 0.106 0.000 1.034 40 R HN 0.677 nan 8.270 nan 0.000 0.536 41 R N -0.700 119.869 120.500 0.115 0.000 2.797 41 R HA 0.452 4.421 4.340 -0.617 0.000 0.251 41 R C -0.575 175.808 176.300 0.139 0.000 1.107 41 R CA -0.876 55.298 56.100 0.123 0.000 1.084 41 R CB 0.897 31.276 30.300 0.130 0.000 1.205 41 R HN 0.687 nan 8.270 nan 0.000 0.515 42 T N -2.747 111.897 114.554 0.150 0.000 2.949 42 T HA 0.245 4.225 4.350 -0.617 0.000 0.287 42 T C -0.794 174.038 174.700 0.221 0.000 1.034 42 T CA -0.750 61.452 62.100 0.169 0.000 1.018 42 T CB 0.953 69.917 68.868 0.160 0.000 1.135 42 T HN 0.509 nan 8.240 nan 0.000 0.532 43 Y N 2.629 122.996 120.300 0.111 0.000 2.480 43 Y HA 0.391 4.571 4.550 -0.618 0.000 0.341 43 Y C 0.915 176.973 175.900 0.263 0.000 1.031 43 Y CA -0.147 58.041 58.100 0.148 0.000 1.295 43 Y CB 0.035 38.525 38.460 0.051 0.000 1.162 43 Y HN 1.024 nan 8.280 nan 0.000 0.523 44 T N 2.816 117.328 114.554 -0.070 0.000 2.897 44 T HA 0.178 4.158 4.350 -0.617 0.000 0.278 44 T C 0.897 175.455 174.700 -0.237 0.000 0.981 44 T CA -0.758 61.354 62.100 0.019 0.000 0.973 44 T CB 1.252 70.115 68.868 -0.010 0.000 1.092 44 T HN 0.682 nan 8.240 nan 0.000 0.543 45 L N 1.040 121.911 121.223 -0.587 0.000 2.046 45 L HA 0.014 3.984 4.340 -0.617 0.000 0.208 45 L C 2.565 179.274 176.870 -0.269 0.000 1.077 45 L CA 2.180 56.560 54.840 -0.767 0.000 0.747 45 L CB -1.514 39.985 42.059 -0.934 0.000 0.896 45 L HN 0.956 nan 8.230 nan 0.000 0.432 46 T N -0.666 113.762 114.554 -0.210 0.000 2.821 46 T HA -0.143 3.837 4.350 -0.617 0.000 0.267 46 T C 1.495 176.113 174.700 -0.136 0.000 1.046 46 T CA 1.314 63.334 62.100 -0.134 0.000 1.139 46 T CB -0.363 68.449 68.868 -0.093 0.000 0.871 46 T HN 0.392 nan 8.240 nan 0.000 0.454 47 D N 0.242 120.525 120.400 -0.195 0.000 2.104 47 D HA -0.103 4.167 4.640 -0.617 0.000 0.194 47 D C 1.744 177.960 176.300 -0.139 0.000 0.994 47 D CA 1.114 54.983 54.000 -0.218 0.000 0.830 47 D CB -0.358 40.166 40.800 -0.460 0.000 0.959 47 D HN 0.416 nan 8.370 nan 0.000 0.452 48 Y N 1.557 121.689 120.300 -0.280 0.000 2.133 48 Y HA -0.113 4.066 4.550 -0.619 0.000 0.287 48 Y C 2.272 178.200 175.900 0.047 0.000 1.134 48 Y CA 1.206 59.335 58.100 0.049 0.000 1.133 48 Y CB -0.646 37.894 38.460 0.133 0.000 0.987 48 Y HN -0.107 nan 8.280 nan 0.000 0.502 49 L N 0.011 121.054 121.223 -0.299 0.000 2.079 49 L HA -0.216 3.753 4.340 -0.617 0.000 0.210 49 L C 1.847 178.613 176.870 -0.174 0.000 1.081 49 L CA 1.538 56.189 54.840 -0.315 0.000 0.752 49 L CB -0.481 41.479 42.059 -0.164 0.000 0.896 49 L HN 0.112 nan 8.230 nan 0.000 0.433 50 K N -0.472 119.856 120.400 -0.120 0.000 2.372 50 K HA 0.178 4.128 4.320 -0.617 0.000 0.200 50 K C 0.656 177.222 176.600 -0.058 0.000 1.022 50 K CA 0.015 56.256 56.287 -0.076 0.000 1.125 50 K CB 0.545 33.005 32.500 -0.067 0.000 0.855 50 K HN 0.060 nan 8.250 nan 0.000 0.524 51 S N 1.081 116.755 115.700 -0.042 0.000 3.631 51 S HA -0.151 3.949 4.470 -0.617 0.000 0.366 51 S C 1.282 175.909 174.600 0.044 0.000 0.993 51 S CA 1.024 59.252 58.200 0.046 0.000 1.167 51 S CB -1.858 61.356 63.200 0.023 0.000 0.909 51 S HN 0.629 nan 8.310 nan 0.000 0.478 52 T N -2.314 112.239 114.554 -0.001 0.000 2.849 52 T HA -0.049 3.930 4.350 -0.617 0.000 0.270 52 T C 0.398 174.943 174.700 -0.259 0.000 1.066 52 T CA 0.986 62.982 62.100 -0.173 0.000 1.130 52 T CB -0.408 68.270 68.868 -0.316 0.000 0.864 52 T HN 0.433 nan 8.240 nan 0.000 0.481 53 F N 2.085 122.118 119.950 0.138 0.000 2.293 53 F HA 0.568 4.724 4.527 -0.618 0.000 0.370 53 F C 0.517 176.401 175.800 0.139 0.000 1.090 53 F CA -1.521 56.576 58.000 0.162 0.000 1.133 53 F CB 0.820 39.981 39.000 0.269 0.000 1.360 53 F HN -0.155 nan 8.300 nan 0.000 0.489 54 R N 2.134 122.743 120.500 0.182 0.000 2.370 54 R HA 0.350 4.320 4.340 -0.617 0.000 0.309 54 R C -1.122 175.251 176.300 0.122 0.000 1.059 54 R CA -0.060 56.107 56.100 0.111 0.000 0.981 54 R CB 0.370 30.680 30.300 0.016 0.000 0.972 54 R HN 0.411 nan 8.270 nan 0.000 0.437 55 V N 6.601 126.595 119.914 0.133 0.000 2.348 55 V HA 0.229 3.979 4.120 -0.617 0.000 0.270 55 V C 0.290 176.386 176.094 0.004 0.000 1.037 55 V CA -0.470 61.920 62.300 0.150 0.000 0.872 55 V CB 0.958 32.950 31.823 0.282 0.000 1.002 55 V HN 0.704 nan 8.190 nan 0.000 0.464 56 K N 4.883 125.244 120.400 -0.065 0.000 2.154 56 K HA 0.639 4.589 4.320 -0.617 0.000 0.264 56 K C -0.575 175.898 176.600 -0.211 0.000 1.008 56 K CA -0.171 55.944 56.287 -0.287 0.000 0.937 56 K CB 1.036 33.424 32.500 -0.186 0.000 1.002 56 K HN 0.573 nan 8.250 nan 0.000 0.469 57 F N -1.033 118.833 119.950 -0.141 0.000 2.790 57 F HA 0.516 4.672 4.527 -0.618 0.000 0.337 57 F C -1.224 174.226 175.800 -0.584 0.000 1.163 57 F CA -1.535 56.137 58.000 -0.546 0.000 0.997 57 F CB 0.620 39.503 39.000 -0.195 0.000 1.437 57 F HN 0.382 nan 8.300 nan 0.000 0.512 58 Y N 0.531 120.453 120.300 -0.630 0.000 2.422 58 Y HA 0.482 4.662 4.550 -0.617 0.000 0.344 58 Y C -1.113 174.746 175.900 -0.067 0.000 1.097 58 Y CA -0.704 57.254 58.100 -0.236 0.000 1.307 58 Y CB 1.131 39.339 38.460 -0.420 0.000 1.102 58 Y HN 0.742 nan 8.280 nan 0.000 0.520 59 T N 7.008 121.604 114.554 0.070 0.000 2.743 59 T HA 0.569 4.549 4.350 -0.617 0.000 0.293 59 T C -0.643 174.074 174.700 0.027 0.000 0.945 59 T CA -0.301 61.812 62.100 0.022 0.000 1.030 59 T CB 0.135 68.965 68.868 -0.064 0.000 0.912 59 T HN 0.506 nan 8.240 nan 0.000 0.483 60 L N 1.636 122.830 121.223 -0.048 0.000 2.309 60 L HA 0.745 4.715 4.340 -0.617 0.000 0.261 60 L C -0.692 176.089 176.870 -0.149 0.000 1.021 60 L CA -1.046 53.701 54.840 -0.154 0.000 0.823 60 L CB 1.564 43.212 42.059 -0.684 0.000 1.366 60 L HN 0.407 nan 8.230 nan 0.000 0.423 61 Q N 0.924 120.683 119.800 -0.069 0.000 2.320 61 Q HA 0.365 4.335 4.340 -0.617 0.000 0.268 61 Q C -1.746 174.295 176.000 0.069 0.000 1.023 61 Q CA -0.289 55.529 55.803 0.025 0.000 0.744 61 Q CB 1.409 30.213 28.738 0.110 0.000 1.246 61 Q HN 0.649 nan 8.270 nan 0.000 0.462 62 W N 3.662 125.065 121.300 0.173 0.000 2.193 62 W HA 0.099 4.388 4.660 -0.617 0.000 0.338 62 W C 1.281 177.888 176.519 0.146 0.000 1.310 62 W CA -0.151 57.306 57.345 0.188 0.000 1.243 62 W CB 0.480 30.049 29.460 0.182 0.000 1.165 62 W HN 0.677 nan 8.180 nan 0.000 0.566 63 I N -0.148 120.651 120.570 0.382 0.000 4.442 63 I HA 0.343 4.143 4.170 -0.617 0.000 0.331 63 I C 0.413 176.643 176.117 0.189 0.000 1.364 63 I CA -0.177 61.251 61.300 0.214 0.000 1.207 63 I CB 0.066 38.117 38.000 0.085 0.000 1.298 63 I HN 0.251 nan 8.210 nan 0.000 0.463 64 S N 0.586 116.431 115.700 0.241 0.000 2.757 64 S HA 0.261 4.360 4.470 -0.617 0.000 0.285 64 S C -0.183 174.551 174.600 0.223 0.000 1.196 64 S CA 0.100 58.413 58.200 0.189 0.000 0.856 64 S CB 1.078 64.339 63.200 0.102 0.000 1.212 64 S HN 0.240 nan 8.310 nan 0.000 0.516 65 D N 0.107 120.657 120.400 0.250 0.000 2.363 65 D HA -0.014 4.256 4.640 -0.617 0.000 0.220 65 D C 1.083 177.608 176.300 0.374 0.000 0.994 65 D CA 1.369 55.508 54.000 0.231 0.000 0.890 65 D CB -0.558 40.373 40.800 0.219 0.000 0.906 65 D HN 0.831 nan 8.370 nan 0.000 0.530 66 H N -1.826 117.396 119.070 0.254 0.000 3.480 66 H HA 0.410 4.596 4.556 -0.617 0.000 0.257 66 H C -0.698 174.763 175.328 0.222 0.000 1.196 66 H CA -0.439 55.747 56.048 0.229 0.000 1.100 66 H CB -0.142 29.748 29.762 0.212 0.000 1.683 66 H HN 0.046 nan 8.280 nan 0.000 0.702 67 E N 1.003 121.197 120.200 -0.010 0.000 2.343 67 E HA 0.479 4.458 4.350 -0.617 0.000 0.270 67 E C -1.547 175.202 176.600 0.248 0.000 0.895 67 E CA -1.240 55.142 56.400 -0.029 0.000 0.767 67 E CB 2.803 32.358 29.700 -0.243 0.000 1.248 67 E HN 0.290 nan 8.360 nan 0.000 0.440 68 Y N -0.850 119.455 120.300 0.008 0.000 2.571 68 Y HA 0.589 4.769 4.550 -0.617 0.000 0.341 68 Y C -1.741 174.154 175.900 -0.008 0.000 1.076 68 Y CA -1.417 56.615 58.100 -0.112 0.000 1.029 68 Y CB 0.781 38.878 38.460 -0.605 0.000 1.308 68 Y HN 0.350 nan 8.280 nan 0.000 0.461 69 L N 3.566 124.935 121.223 0.243 0.000 2.325 69 L HA 0.520 4.489 4.340 -0.617 0.000 0.279 69 L C -1.204 175.912 176.870 0.411 0.000 1.054 69 L CA -0.943 54.026 54.840 0.215 0.000 0.804 69 L CB 1.369 43.478 42.059 0.084 0.000 1.200 69 L HN 0.798 nan 8.230 nan 0.000 0.436 70 Y N 2.151 122.603 120.300 0.253 0.000 2.479 70 Y HA 0.309 4.488 4.550 -0.617 0.000 0.338 70 Y C -0.845 175.147 175.900 0.154 0.000 1.055 70 Y CA -1.210 56.985 58.100 0.157 0.000 1.023 70 Y CB 1.637 40.175 38.460 0.131 0.000 1.287 70 Y HN 0.416 nan 8.280 nan 0.000 0.447 71 K N 5.013 125.096 120.400 -0.529 0.000 2.284 71 K HA 0.223 4.172 4.320 -0.617 0.000 0.287 71 K C -1.003 175.211 176.600 -0.642 0.000 1.081 71 K CA -0.329 55.736 56.287 -0.370 0.000 0.910 71 K CB 0.780 33.183 32.500 -0.162 0.000 1.088 71 K HN 0.741 nan 8.250 nan 0.000 0.478 72 Q N 3.268 122.911 119.800 -0.262 0.000 2.290 72 Q HA 0.088 4.057 4.340 -0.617 0.000 0.269 72 Q C -1.146 174.840 176.000 -0.023 0.000 1.016 72 Q CA -0.241 55.491 55.803 -0.118 0.000 0.754 72 Q CB 1.031 29.853 28.738 0.140 0.000 1.247 72 Q HN 0.611 nan 8.270 nan 0.000 0.451 73 E N 3.411 123.592 120.200 -0.032 0.000 2.389 73 E HA -0.425 3.554 4.350 -0.617 0.000 0.243 73 E C -0.044 176.554 176.600 -0.002 0.000 1.154 73 E CA 0.823 57.217 56.400 -0.011 0.000 0.723 73 E CB -1.456 28.250 29.700 0.011 0.000 1.261 73 E HN 1.079 nan 8.360 nan 0.000 0.390 74 N N -0.697 117.994 118.700 -0.015 0.000 2.972 74 N HA -0.235 4.135 4.740 -0.617 0.000 0.225 74 N C -0.477 175.128 175.510 0.158 0.000 0.883 74 N CA 1.405 54.471 53.050 0.027 0.000 1.010 74 N CB -0.489 38.012 38.487 0.024 0.000 1.052 74 N HN 0.533 nan 8.380 nan 0.000 0.598 75 N N 0.567 119.323 118.700 0.094 0.000 2.384 75 N HA 0.513 4.883 4.740 -0.617 0.000 0.301 75 N C -0.605 174.942 175.510 0.062 0.000 1.133 75 N CA -0.581 52.526 53.050 0.094 0.000 0.853 75 N CB 1.009 39.516 38.487 0.032 0.000 1.241 75 N HN 0.118 nan 8.380 nan 0.000 0.502 76 I N 1.287 121.875 120.570 0.030 0.000 2.322 76 I HA 0.156 3.956 4.170 -0.617 0.000 0.292 76 I C -0.123 176.058 176.117 0.108 0.000 1.060 76 I CA -0.459 60.853 61.300 0.020 0.000 1.309 76 I CB 0.082 38.013 38.000 -0.114 0.000 1.415 76 I HN 0.303 nan 8.210 nan 0.000 0.492 77 L N 6.422 127.737 121.223 0.155 0.000 2.399 77 L HA 0.467 4.437 4.340 -0.617 0.000 0.265 77 L C -0.440 176.516 176.870 0.144 0.000 1.089 77 L CA -0.894 54.032 54.840 0.144 0.000 0.802 77 L CB 1.556 43.732 42.059 0.195 0.000 1.180 77 L HN 0.430 nan 8.230 nan 0.000 0.454 78 L N 1.648 122.870 121.223 -0.002 0.000 2.342 78 L HA 0.499 4.468 4.340 -0.617 0.000 0.276 78 L C -1.143 175.598 176.870 -0.215 0.000 0.997 78 L CA 0.213 55.031 54.840 -0.037 0.000 0.838 78 L CB 0.752 42.837 42.059 0.043 0.000 1.224 78 L HN 0.175 nan 8.230 nan 0.000 0.416 79 F N 3.419 123.131 119.950 -0.396 0.000 2.397 79 F HA 0.439 4.596 4.527 -0.617 0.000 0.331 79 F C 0.800 176.305 175.800 -0.492 0.000 1.090 79 F CA -0.375 57.296 58.000 -0.549 0.000 1.065 79 F CB 1.355 39.692 39.000 -1.106 0.000 1.184 79 F HN 0.531 nan 8.300 nan 0.000 0.499 80 N N 2.118 120.753 118.700 -0.108 0.000 2.621 80 N HA 0.238 4.608 4.740 -0.617 0.000 0.237 80 N C 0.547 176.006 175.510 -0.084 0.000 0.997 80 N CA 0.056 53.079 53.050 -0.044 0.000 0.918 80 N CB 1.428 39.989 38.487 0.123 0.000 1.122 80 N HN 0.798 nan 8.380 nan 0.000 0.510 81 A N 4.115 126.829 122.820 -0.178 0.000 1.929 81 A HA -0.277 3.673 4.320 -0.617 0.000 0.221 81 A C 1.773 179.142 177.584 -0.358 0.000 1.211 81 A CA 1.922 53.804 52.037 -0.259 0.000 0.657 81 A CB -0.537 18.178 19.000 -0.474 0.000 0.827 81 A HN 0.842 nan 8.150 nan 0.000 0.462 82 E N -1.452 118.458 120.200 -0.483 0.000 2.055 82 E HA -0.284 3.696 4.350 -0.617 0.000 0.209 82 E C 1.880 178.244 176.600 -0.394 0.000 1.036 82 E CA 2.152 58.296 56.400 -0.427 0.000 0.849 82 E CB -0.485 28.802 29.700 -0.689 0.000 0.767 82 E HN 0.886 nan 8.360 nan 0.000 0.461 83 Y N -1.499 118.822 120.300 0.034 0.000 2.479 83 Y HA 0.283 4.463 4.550 -0.617 0.000 0.283 83 Y C 1.913 177.827 175.900 0.024 0.000 1.109 83 Y CA 0.370 58.488 58.100 0.030 0.000 1.239 83 Y CB 0.488 38.964 38.460 0.027 0.000 1.108 83 Y HN 0.270 nan 8.280 nan 0.000 0.548 84 G N 0.445 109.340 108.800 0.157 0.000 2.179 84 G HA2 -0.276 3.314 3.960 -0.617 0.000 0.220 84 G HA3 -0.276 3.314 3.960 -0.617 0.000 0.220 84 G C -0.176 174.816 174.900 0.154 0.000 0.990 84 G CA -0.058 45.136 45.100 0.157 0.000 0.646 84 G HN 0.439 nan 8.290 nan 0.000 0.517 85 N N 0.880 119.643 118.700 0.104 0.000 2.530 85 N HA 0.525 4.894 4.740 -0.617 0.000 0.273 85 N C -0.014 175.388 175.510 -0.180 0.000 1.173 85 N CA 0.626 53.669 53.050 -0.013 0.000 0.967 85 N CB 1.580 40.068 38.487 0.002 0.000 1.109 85 N HN 0.848 nan 8.380 nan 0.000 0.453 86 S N -0.094 115.393 115.700 -0.354 0.000 2.568 86 S HA 0.732 4.832 4.470 -0.617 0.000 0.293 86 S C -0.496 173.896 174.600 -0.346 0.000 1.089 86 S CA -0.817 57.006 58.200 -0.629 0.000 0.945 86 S CB 1.366 63.689 63.200 -1.462 0.000 1.077 86 S HN 0.863 nan 8.310 nan 0.000 0.485 87 S N 1.250 116.785 115.700 -0.274 0.000 2.599 87 S HA 0.694 4.794 4.470 -0.617 0.000 0.287 87 S C -0.586 173.958 174.600 -0.093 0.000 1.105 87 S CA -1.043 57.074 58.200 -0.139 0.000 0.899 87 S CB 0.616 63.769 63.200 -0.077 0.000 1.100 87 S HN 0.770 nan 8.310 nan 0.000 0.482 88 I N 2.045 122.583 120.570 -0.053 0.000 2.441 88 I HA 0.227 4.027 4.170 -0.617 0.000 0.287 88 I C 0.209 176.349 176.117 0.038 0.000 1.049 88 I CA -0.176 61.118 61.300 -0.011 0.000 1.381 88 I CB 0.789 38.769 38.000 -0.033 0.000 1.409 88 I HN 0.834 nan 8.210 nan 0.000 0.523 89 F N 6.904 126.808 119.950 -0.076 0.000 2.653 89 F HA 0.403 4.560 4.527 -0.617 0.000 0.288 89 F C 0.185 175.928 175.800 -0.096 0.000 1.121 89 F CA 0.200 58.158 58.000 -0.071 0.000 1.384 89 F CB 0.640 39.611 39.000 -0.049 0.000 1.115 89 F HN 0.190 nan 8.300 nan 0.000 0.599 90 L N 1.630 122.872 121.223 0.031 0.000 2.661 90 L HA 0.229 4.198 4.340 -0.617 0.000 0.263 90 L C -1.123 175.663 176.870 -0.140 0.000 0.956 90 L CA -0.576 54.191 54.840 -0.121 0.000 0.918 90 L CB 1.822 43.792 42.059 -0.149 0.000 1.280 90 L HN -0.082 nan 8.230 nan 0.000 0.416 91 E N 1.614 121.722 120.200 -0.153 0.000 2.384 91 E HA -0.029 3.950 4.350 -0.617 0.000 0.266 91 E C 0.813 177.327 176.600 -0.144 0.000 1.012 91 E CA -0.061 56.270 56.400 -0.116 0.000 0.901 91 E CB 0.737 30.377 29.700 -0.099 0.000 0.967 91 E HN 0.594 nan 8.360 nan 0.000 0.435 92 N N 1.525 120.200 118.700 -0.042 0.000 2.192 92 N HA -0.259 4.111 4.740 -0.617 0.000 0.188 92 N C 1.031 176.531 175.510 -0.017 0.000 1.013 92 N CA 1.588 54.669 53.050 0.052 0.000 0.863 92 N CB -0.324 38.204 38.487 0.068 0.000 0.990 92 N HN 0.244 nan 8.380 nan 0.000 0.430 93 S N -0.178 115.480 115.700 -0.069 0.000 2.380 93 S HA -0.218 3.882 4.470 -0.617 0.000 0.229 93 S C 1.850 176.366 174.600 -0.140 0.000 1.043 93 S CA 1.907 60.056 58.200 -0.084 0.000 1.038 93 S CB -1.137 62.016 63.200 -0.078 0.000 0.872 93 S HN 0.540 nan 8.310 nan 0.000 0.456 94 T N 1.658 116.064 114.554 -0.247 0.000 2.833 94 T HA -0.015 3.964 4.350 -0.617 0.000 0.269 94 T C 1.326 175.758 174.700 -0.447 0.000 1.054 94 T CA 1.079 62.956 62.100 -0.371 0.000 1.135 94 T CB -0.416 68.115 68.868 -0.563 0.000 0.869 94 T HN 0.309 nan 8.240 nan 0.000 0.466 95 F N 1.959 121.711 119.950 -0.329 0.000 2.146 95 F HA -0.010 4.147 4.527 -0.616 0.000 0.298 95 F C 2.323 177.926 175.800 -0.328 0.000 1.096 95 F CA 0.383 58.149 58.000 -0.390 0.000 1.275 95 F CB -0.624 38.212 39.000 -0.273 0.000 1.008 95 F HN 0.136 nan 8.300 nan 0.000 0.480 96 D N 0.236 120.612 120.400 -0.041 0.000 2.123 96 D HA -0.182 4.088 4.640 -0.617 0.000 0.196 96 D C 1.756 177.970 176.300 -0.144 0.000 0.992 96 D CA 1.357 55.304 54.000 -0.088 0.000 0.833 96 D CB -0.409 40.353 40.800 -0.062 0.000 0.954 96 D HN 0.438 nan 8.370 nan 0.000 0.455 97 E N 0.038 120.143 120.200 -0.158 0.000 2.478 97 E HA 0.019 3.998 4.350 -0.617 0.000 0.198 97 E C 0.461 176.924 176.600 -0.229 0.000 1.046 97 E CA -0.026 56.281 56.400 -0.156 0.000 0.870 97 E CB 0.219 29.853 29.700 -0.110 0.000 0.818 97 E HN 0.273 nan 8.360 nan 0.000 0.527 98 L N 0.048 121.055 121.223 -0.361 0.000 2.375 98 L HA 0.247 4.217 4.340 -0.617 0.000 0.271 98 L C 1.228 177.705 176.870 -0.654 0.000 1.107 98 L CA -0.448 54.012 54.840 -0.633 0.000 0.806 98 L CB 1.035 42.515 42.059 -0.965 0.000 1.146 98 L HN -0.017 nan 8.230 nan 0.000 0.447 99 G N 1.785 110.160 108.800 -0.709 0.000 3.562 99 G HA2 0.315 3.904 3.960 -0.617 0.000 0.279 99 G HA3 0.315 3.904 3.960 -0.617 0.000 0.279 99 G C -0.567 174.161 174.900 -0.286 0.000 1.314 99 G CA 0.184 45.053 45.100 -0.384 0.000 1.189 99 G HN 0.567 nan 8.290 nan 0.000 0.562 100 Y N -3.829 116.376 120.300 -0.159 0.000 2.779 100 Y HA 0.666 4.846 4.550 -0.617 0.000 0.340 100 Y C -0.427 175.410 175.900 -0.104 0.000 1.252 100 Y CA -2.246 55.781 58.100 -0.121 0.000 1.072 100 Y CB 0.291 38.648 38.460 -0.171 0.000 1.343 100 Y HN -0.145 nan 8.280 nan 0.000 0.450 101 S N 0.843 116.700 115.700 0.262 0.000 2.499 101 S HA 0.393 4.493 4.470 -0.617 0.000 0.275 101 S C -0.426 174.296 174.600 0.204 0.000 1.257 101 S CA -0.475 57.802 58.200 0.128 0.000 1.050 101 S CB 0.468 63.698 63.200 0.051 0.000 0.937 101 S HN 0.571 nan 8.310 nan 0.000 0.490 102 T N 4.107 118.714 114.554 0.088 0.000 2.738 102 T HA 0.101 4.080 4.350 -0.617 0.000 0.294 102 T C 1.553 176.247 174.700 -0.010 0.000 0.914 102 T CA -0.359 61.800 62.100 0.097 0.000 1.052 102 T CB 0.063 68.926 68.868 -0.008 0.000 0.897 102 T HN 0.628 nan 8.240 nan 0.000 0.522 103 N N 2.839 121.554 118.700 0.026 0.000 2.142 103 N HA -0.078 4.291 4.740 -0.617 0.000 0.186 103 N C 0.080 175.567 175.510 -0.039 0.000 1.023 103 N CA 1.032 54.041 53.050 -0.067 0.000 0.852 103 N CB 0.395 38.815 38.487 -0.112 0.000 0.998 103 N HN 0.581 nan 8.380 nan 0.000 0.424 104 D N -1.893 118.562 120.400 0.092 0.000 2.648 104 D HA 0.197 4.467 4.640 -0.617 0.000 0.244 104 D C -1.616 174.887 176.300 0.339 0.000 1.244 104 D CA -0.531 53.542 54.000 0.123 0.000 0.772 104 D CB 0.776 41.608 40.800 0.054 0.000 1.379 104 D HN 0.146 nan 8.370 nan 0.000 0.428 105 Y N -0.530 119.955 120.300 0.310 0.000 2.536 105 Y HA 0.806 4.986 4.550 -0.617 0.000 0.347 105 Y C -1.029 175.052 175.900 0.301 0.000 1.000 105 Y CA -1.093 57.243 58.100 0.394 0.000 1.051 105 Y CB 2.018 40.789 38.460 0.518 0.000 1.259 105 Y HN 0.156 nan 8.280 nan 0.000 0.468 106 S N 2.443 118.451 115.700 0.514 0.000 2.737 106 S HA 0.558 4.658 4.470 -0.617 0.000 0.269 106 S C -1.635 173.317 174.600 0.587 0.000 1.150 106 S CA -0.603 57.868 58.200 0.451 0.000 1.077 106 S CB 0.345 63.755 63.200 0.350 0.000 1.075 106 S HN 0.711 nan 8.310 nan 0.000 0.476 107 V N 5.017 125.191 119.914 0.433 0.000 2.614 107 V HA 0.391 4.140 4.120 -0.617 0.000 0.291 107 V C 0.964 176.993 176.094 -0.109 0.000 1.049 107 V CA -0.435 62.001 62.300 0.227 0.000 1.038 107 V CB 1.305 33.221 31.823 0.155 0.000 0.980 107 V HN 0.989 nan 8.190 nan 0.000 0.481 108 S N 6.266 121.608 115.700 -0.596 0.000 2.579 108 S HA 0.209 4.309 4.470 -0.617 0.000 0.275 108 S C -1.235 173.114 174.600 -0.418 0.000 1.345 108 S CA -0.799 56.676 58.200 -1.208 0.000 1.031 108 S CB 0.829 63.115 63.200 -1.524 0.000 0.892 108 S HN 0.658 nan 8.310 nan 0.000 0.529 109 P HA -0.136 nan 4.420 nan 0.000 0.218 109 P C 0.540 177.807 177.300 -0.055 0.000 1.148 109 P CA 1.554 64.597 63.100 -0.095 0.000 0.822 109 P CB -0.334 31.332 31.700 -0.057 0.000 0.784 110 D N -1.492 118.867 120.400 -0.069 0.000 2.340 110 D HA -0.023 4.246 4.640 -0.617 0.000 0.220 110 D C 0.725 177.035 176.300 0.017 0.000 1.039 110 D CA -0.199 53.801 54.000 0.001 0.000 0.866 110 D CB -0.535 40.293 40.800 0.046 0.000 0.913 110 D HN -0.024 nan 8.370 nan 0.000 0.523 111 R N -1.468 119.032 120.500 0.001 0.000 3.989 111 R HA -0.240 3.730 4.340 -0.617 0.000 0.377 111 R C 0.961 177.255 176.300 -0.010 0.000 1.158 111 R CA 1.325 57.479 56.100 0.091 0.000 1.035 111 R CB -2.261 28.156 30.300 0.196 0.000 1.557 111 R HN 0.344 nan 8.270 nan 0.000 0.551 112 Q N -1.061 118.677 119.800 -0.105 0.000 2.354 112 Q HA 0.164 4.134 4.340 -0.617 0.000 0.203 112 Q C -0.158 175.427 176.000 -0.692 0.000 0.933 112 Q CA 0.762 56.348 55.803 -0.361 0.000 0.901 112 Q CB 0.394 28.925 28.738 -0.345 0.000 1.007 112 Q HN 0.197 nan 8.270 nan 0.000 0.495 113 F N -0.794 119.035 119.950 -0.201 0.000 2.629 113 F HA 0.568 4.724 4.527 -0.617 0.000 0.316 113 F C -0.743 175.048 175.800 -0.014 0.000 1.081 113 F CA -1.192 56.746 58.000 -0.103 0.000 0.954 113 F CB 1.827 40.776 39.000 -0.085 0.000 1.337 113 F HN -0.242 nan 8.300 nan 0.000 0.474 114 I N 2.063 122.855 120.570 0.369 0.000 2.644 114 I HA 0.423 4.223 4.170 -0.617 0.000 0.291 114 I C -1.737 174.475 176.117 0.157 0.000 1.180 114 I CA -0.506 60.958 61.300 0.272 0.000 1.040 114 I CB 1.551 39.586 38.000 0.058 0.000 1.255 114 I HN 0.420 nan 8.210 nan 0.000 0.422 115 L N 6.961 128.374 121.223 0.317 0.000 2.350 115 L HA 0.440 4.410 4.340 -0.617 0.000 0.275 115 L C -1.104 175.839 176.870 0.122 0.000 1.099 115 L CA -0.270 54.671 54.840 0.168 0.000 0.808 115 L CB 0.995 43.133 42.059 0.132 0.000 1.149 115 L HN 0.468 nan 8.230 nan 0.000 0.442 116 F N 1.384 121.595 119.950 0.435 0.000 2.449 116 F HA 0.305 4.462 4.527 -0.618 0.000 0.342 116 F C 0.310 176.318 175.800 0.348 0.000 1.127 116 F CA -0.705 57.552 58.000 0.428 0.000 0.975 116 F CB 1.692 40.960 39.000 0.446 0.000 1.146 116 F HN 0.469 nan 8.300 nan 0.000 0.444 117 E N 5.039 125.500 120.200 0.435 0.000 2.156 117 E HA 0.370 4.349 4.350 -0.617 0.000 0.279 117 E C -1.547 175.054 176.600 0.002 0.000 0.965 117 E CA -0.479 55.905 56.400 -0.026 0.000 0.789 117 E CB 1.136 30.883 29.700 0.078 0.000 1.098 117 E HN 0.586 nan 8.360 nan 0.000 0.397 118 Y N 1.745 121.776 120.300 -0.448 0.000 2.728 118 Y HA 0.436 4.616 4.550 -0.617 0.000 0.330 118 Y C -0.153 175.553 175.900 -0.324 0.000 1.234 118 Y CA -1.566 56.285 58.100 -0.416 0.000 1.070 118 Y CB 0.361 38.278 38.460 -0.906 0.000 1.300 118 Y HN 0.622 nan 8.280 nan 0.000 0.467 119 N N -1.091 117.492 118.700 -0.196 0.000 2.741 119 N HA -0.294 4.076 4.740 -0.617 0.000 0.250 119 N C -1.145 174.281 175.510 -0.141 0.000 1.115 119 N CA 0.885 53.810 53.050 -0.208 0.000 0.724 119 N CB -1.670 36.547 38.487 -0.451 0.000 1.090 119 N HN 0.787 nan 8.380 nan 0.000 0.558 120 Y N 0.166 120.350 120.300 -0.194 0.000 2.805 120 Y HA 0.215 4.395 4.550 -0.618 0.000 0.331 120 Y C 0.038 175.868 175.900 -0.117 0.000 1.241 120 Y CA 0.350 58.342 58.100 -0.180 0.000 1.546 120 Y CB 0.500 38.816 38.460 -0.241 0.000 1.248 120 Y HN -0.036 nan 8.280 nan 0.000 0.559 121 V N 8.181 127.765 119.914 -0.549 0.000 2.398 121 V HA 0.163 3.913 4.120 -0.617 0.000 0.282 121 V C -0.226 175.545 176.094 -0.538 0.000 1.014 121 V CA -1.427 60.645 62.300 -0.381 0.000 0.838 121 V CB 1.178 32.872 31.823 -0.215 0.000 1.018 121 V HN 0.714 nan 8.190 nan 0.000 0.432 122 K N 3.485 123.609 120.400 -0.461 0.000 2.485 122 K HA 0.111 4.061 4.320 -0.617 0.000 0.277 122 K C 0.489 176.918 176.600 -0.286 0.000 0.990 122 K CA 0.470 56.583 56.287 -0.289 0.000 0.994 122 K CB 1.050 33.562 32.500 0.019 0.000 0.906 122 K HN 0.812 nan 8.250 nan 0.000 0.488 123 Q N 3.089 122.674 119.800 -0.358 0.000 2.729 123 Q HA 0.170 4.139 4.340 -0.617 0.000 0.228 123 Q C -0.010 175.673 176.000 -0.527 0.000 1.021 123 Q CA -0.399 54.967 55.803 -0.729 0.000 0.561 123 Q CB 0.098 28.228 28.738 -1.014 0.000 3.921 123 Q HN 0.728 nan 8.270 nan 0.000 0.430 124 W N 0.205 121.480 121.300 -0.041 0.000 1.836 124 W HA 0.332 4.620 4.660 -0.621 0.000 0.628 124 W C 1.842 178.333 176.519 -0.047 0.000 1.626 124 W CA -0.494 56.854 57.345 0.005 0.000 1.714 124 W CB -0.189 29.235 29.460 -0.060 0.000 3.166 124 W HN 0.335 nan 8.180 nan 0.000 0.772 125 R N -0.640 119.949 120.500 0.148 0.000 2.092 125 R HA -0.132 3.838 4.340 -0.617 0.000 0.231 125 R C 1.671 177.810 176.300 -0.270 0.000 1.119 125 R CA 1.911 57.931 56.100 -0.133 0.000 0.970 125 R CB -0.426 29.673 30.300 -0.335 0.000 0.864 125 R HN 0.471 nan 8.270 nan 0.000 0.440 126 H N -1.068 118.063 119.070 0.101 0.000 2.927 126 H HA 0.210 4.397 4.556 -0.615 0.000 0.255 126 H C 0.464 175.875 175.328 0.138 0.000 0.974 126 H CA 0.510 56.646 56.048 0.146 0.000 1.199 126 H CB 0.284 30.113 29.762 0.113 0.000 1.447 126 H HN 0.211 nan 8.280 nan 0.000 0.467 127 S N 1.209 116.882 115.700 -0.045 0.000 2.603 127 S HA 0.392 4.491 4.470 -0.617 0.000 0.268 127 S C -0.291 174.134 174.600 -0.291 0.000 1.317 127 S CA -0.426 57.415 58.200 -0.599 0.000 1.012 127 S CB 0.834 63.161 63.200 -1.455 0.000 0.926 127 S HN 0.461 nan 8.310 nan 0.000 0.539 128 Y N -2.635 117.407 120.300 -0.430 0.000 2.810 128 Y HA 0.593 4.772 4.550 -0.619 0.000 0.355 128 Y C -0.843 174.943 175.900 -0.189 0.000 1.211 128 Y CA -0.853 57.006 58.100 -0.401 0.000 1.112 128 Y CB 0.357 38.463 38.460 -0.589 0.000 1.383 128 Y HN 0.926 nan 8.280 nan 0.000 0.458 129 T N 0.000 114.548 114.554 -0.010 0.000 2.932 129 T HA 1.027 5.006 4.350 -0.617 0.000 0.289 129 T C -0.443 174.294 174.700 0.061 0.000 1.039 129 T CA -0.091 62.031 62.100 0.036 0.000 1.024 129 T CB 1.792 70.639 68.868 -0.035 0.000 1.090 129 T HN 1.942 nan 8.240 nan 0.000 0.496 130 A N 0.811 123.653 122.820 0.037 0.000 2.536 130 A HA 0.793 4.743 4.320 -0.617 0.000 0.293 130 A C -0.700 176.657 177.584 -0.379 0.000 1.119 130 A CA -0.949 50.963 52.037 -0.208 0.000 0.654 130 A CB 1.115 19.966 19.000 -0.248 0.000 1.291 130 A HN 0.860 nan 8.150 nan 0.000 0.439 131 S N -0.798 114.409 115.700 -0.823 0.000 2.537 131 S HA 0.811 4.911 4.470 -0.617 0.000 0.301 131 S C -1.688 172.291 174.600 -1.035 0.000 1.092 131 S CA -0.097 57.572 58.200 -0.885 0.000 1.048 131 S CB 0.793 63.154 63.200 -1.398 0.000 1.053 131 S HN 0.444 nan 8.310 nan 0.000 0.501 132 Y N 0.389 120.542 120.300 -0.245 0.000 2.492 132 Y HA 0.472 4.652 4.550 -0.618 0.000 0.346 132 Y C -0.308 175.702 175.900 0.184 0.000 0.997 132 Y CA -0.952 57.155 58.100 0.012 0.000 1.025 132 Y CB 1.633 40.027 38.460 -0.110 0.000 1.263 132 Y HN 0.470 nan 8.280 nan 0.000 0.454 133 D N 2.572 123.258 120.400 0.476 0.000 2.498 133 D HA 0.516 4.785 4.640 -0.617 0.000 0.247 133 D C -0.883 175.609 176.300 0.321 0.000 1.070 133 D CA -0.296 53.957 54.000 0.421 0.000 0.842 133 D CB 2.407 43.551 40.800 0.574 0.000 1.361 133 D HN 0.416 nan 8.370 nan 0.000 0.484 134 I N 2.448 123.161 120.570 0.238 0.000 2.354 134 I HA 0.235 4.035 4.170 -0.617 0.000 0.292 134 I C -0.653 175.646 176.117 0.305 0.000 0.989 134 I CA -0.892 60.542 61.300 0.223 0.000 1.188 134 I CB 1.171 39.264 38.000 0.155 0.000 1.342 134 I HN 0.242 nan 8.210 nan 0.000 0.457 135 Y N 5.529 125.892 120.300 0.105 0.000 2.420 135 Y HA 0.327 4.506 4.550 -0.617 0.000 0.334 135 Y C -0.262 175.716 175.900 0.130 0.000 1.094 135 Y CA -0.544 57.615 58.100 0.098 0.000 1.126 135 Y CB 1.380 39.824 38.460 -0.025 0.000 1.217 135 Y HN 0.469 nan 8.280 nan 0.000 0.462 136 D N 5.584 125.771 120.400 -0.355 0.000 2.329 136 D HA 0.149 4.419 4.640 -0.617 0.000 0.232 136 D C 0.367 176.331 176.300 -0.561 0.000 1.088 136 D CA 0.020 53.710 54.000 -0.517 0.000 0.835 136 D CB 1.153 41.695 40.800 -0.429 0.000 1.078 136 D HN 0.840 nan 8.370 nan 0.000 0.495 137 L N 3.435 124.423 121.223 -0.392 0.000 2.313 137 L HA -0.064 3.905 4.340 -0.617 0.000 0.214 137 L C 1.955 178.652 176.870 -0.288 0.000 1.119 137 L CA 0.255 54.959 54.840 -0.227 0.000 0.809 137 L CB -0.155 41.761 42.059 -0.238 0.000 0.933 137 L HN 0.359 nan 8.230 nan 0.000 0.449 138 N N 0.839 119.321 118.700 -0.363 0.000 2.124 138 N HA -0.117 4.252 4.740 -0.617 0.000 0.188 138 N C 1.611 176.979 175.510 -0.237 0.000 1.045 138 N CA 1.208 54.092 53.050 -0.277 0.000 0.846 138 N CB -0.141 38.178 38.487 -0.279 0.000 1.020 138 N HN 0.264 nan 8.380 nan 0.000 0.432 139 K N 0.971 121.209 120.400 -0.270 0.000 2.442 139 K HA 0.100 4.049 4.320 -0.617 0.000 0.198 139 K C -0.058 176.392 176.600 -0.250 0.000 1.042 139 K CA 0.107 56.260 56.287 -0.224 0.000 0.958 139 K CB 0.109 32.481 32.500 -0.214 0.000 0.766 139 K HN 0.180 nan 8.250 nan 0.000 0.474 140 R N 0.986 121.289 120.500 -0.327 0.000 3.516 140 R HA -0.219 3.751 4.340 -0.617 0.000 0.271 140 R C -0.566 175.465 176.300 -0.449 0.000 1.098 140 R CA 0.737 56.660 56.100 -0.296 0.000 0.732 140 R CB -2.119 28.134 30.300 -0.078 0.000 1.152 140 R HN 0.455 nan 8.270 nan 0.000 0.455 141 Q N -0.156 119.220 119.800 -0.706 0.000 2.814 141 Q HA 0.679 4.648 4.340 -0.617 0.000 0.283 141 Q C -0.524 175.085 176.000 -0.652 0.000 1.071 141 Q CA -1.083 54.433 55.803 -0.479 0.000 0.849 141 Q CB 1.768 30.360 28.738 -0.243 0.000 1.437 141 Q HN 0.209 nan 8.270 nan 0.000 0.492 142 L N 1.813 122.933 121.223 -0.172 0.000 2.319 142 L HA 0.406 4.376 4.340 -0.617 0.000 0.281 142 L C -1.163 175.742 176.870 0.059 0.000 1.005 142 L CA -0.954 53.919 54.840 0.056 0.000 0.828 142 L CB 0.902 43.101 42.059 0.233 0.000 1.227 142 L HN 0.543 nan 8.230 nan 0.000 0.415 143 I N 3.819 124.444 120.570 0.092 0.000 2.826 143 I HA -0.072 3.728 4.170 -0.617 0.000 0.295 143 I C 1.527 177.695 176.117 0.085 0.000 1.213 143 I CA 0.981 62.335 61.300 0.089 0.000 1.436 143 I CB 1.086 39.157 38.000 0.118 0.000 1.348 143 I HN 0.727 nan 8.210 nan 0.000 0.570 144 T N 0.821 115.408 114.554 0.056 0.000 2.975 144 T HA 0.191 4.171 4.350 -0.617 0.000 0.261 144 T C 0.334 175.052 174.700 0.031 0.000 0.984 144 T CA -0.441 61.689 62.100 0.050 0.000 0.911 144 T CB 0.045 68.937 68.868 0.040 0.000 1.127 144 T HN 0.555 nan 8.240 nan 0.000 0.514 145 E N 1.966 122.180 120.200 0.023 0.000 2.242 145 E HA 0.292 4.271 4.350 -0.617 0.000 0.275 145 E C -0.635 175.965 176.600 -0.001 0.000 1.002 145 E CA -0.582 55.823 56.400 0.010 0.000 0.841 145 E CB 0.661 30.367 29.700 0.010 0.000 1.109 145 E HN 0.134 nan 8.360 nan 0.000 0.394 146 E N 0.964 121.155 120.200 -0.016 0.000 2.240 146 E HA -0.224 3.756 4.350 -0.617 0.000 0.194 146 E C -0.661 175.909 176.600 -0.050 0.000 1.385 146 E CA 0.628 57.008 56.400 -0.033 0.000 0.686 146 E CB -1.324 28.365 29.700 -0.018 0.000 1.125 146 E HN 0.524 nan 8.360 nan 0.000 0.359 147 R N 0.478 120.941 120.500 -0.062 0.000 2.582 147 R HA 0.325 4.295 4.340 -0.617 0.000 0.271 147 R C 1.137 177.331 176.300 -0.177 0.000 1.078 147 R CA -0.822 55.234 56.100 -0.073 0.000 1.127 147 R CB 0.633 30.916 30.300 -0.028 0.000 1.038 147 R HN 0.099 nan 8.270 nan 0.000 0.500 148 I N 3.287 123.727 120.570 -0.216 0.000 2.648 148 I HA 0.068 3.867 4.170 -0.617 0.000 0.284 148 I C -1.756 174.130 176.117 -0.386 0.000 1.153 148 I CA -2.353 58.676 61.300 -0.451 0.000 1.426 148 I CB -0.052 37.702 38.000 -0.409 0.000 1.381 148 I HN 0.349 nan 8.210 nan 0.000 0.571 149 P HA 0.093 nan 4.420 nan 0.000 0.272 149 P C -0.061 177.132 177.300 -0.178 0.000 1.230 149 P CA -0.380 62.432 63.100 -0.481 0.000 0.788 149 P CB 0.494 31.536 31.700 -1.097 0.000 0.949 150 N N 2.083 120.759 118.700 -0.041 0.000 2.479 150 N HA -0.030 4.339 4.740 -0.617 0.000 0.257 150 N C -0.131 175.495 175.510 0.194 0.000 1.232 150 N CA -0.109 52.965 53.050 0.039 0.000 0.920 150 N CB -0.081 38.438 38.487 0.053 0.000 1.105 150 N HN 0.376 nan 8.380 nan 0.000 0.444 151 N N 0.664 119.411 118.700 0.079 0.000 2.780 151 N HA -0.148 4.222 4.740 -0.617 0.000 0.248 151 N C -1.022 174.602 175.510 0.189 0.000 1.102 151 N CA 0.634 53.735 53.050 0.086 0.000 0.697 151 N CB -1.666 36.851 38.487 0.051 0.000 1.028 151 N HN 0.498 nan 8.380 nan 0.000 0.554 152 T N 0.763 115.450 114.554 0.222 0.000 2.901 152 T HA 0.109 4.088 4.350 -0.617 0.000 0.301 152 T C 1.729 176.568 174.700 0.232 0.000 1.012 152 T CA 0.113 62.376 62.100 0.272 0.000 1.135 152 T CB 1.137 70.106 68.868 0.169 0.000 0.936 152 T HN 0.173 nan 8.240 nan 0.000 0.539 153 Q N 1.855 121.792 119.800 0.228 0.000 2.302 153 Q HA 0.150 4.120 4.340 -0.617 0.000 0.202 153 Q C 0.186 176.366 176.000 0.301 0.000 0.936 153 Q CA 0.411 56.372 55.803 0.264 0.000 0.886 153 Q CB 0.771 29.651 28.738 0.237 0.000 0.986 153 Q HN 0.697 nan 8.270 nan 0.000 0.487 154 W N -0.305 120.977 121.300 -0.030 0.000 3.464 154 W HA 0.536 4.825 4.660 -0.618 0.000 0.292 154 W C -2.386 174.053 176.519 -0.133 0.000 1.262 154 W CA -0.724 56.548 57.345 -0.120 0.000 1.202 154 W CB 1.059 30.388 29.460 -0.218 0.000 1.334 154 W HN -0.090 nan 8.180 nan 0.000 0.561 155 I N 3.898 123.730 120.570 -1.230 0.000 2.775 155 I HA 0.582 4.381 4.170 -0.617 0.000 0.295 155 I C -1.614 173.884 176.117 -1.032 0.000 1.287 155 I CA 0.000 60.756 61.300 -0.907 0.000 1.029 155 I CB 2.519 39.930 38.000 -0.981 0.000 1.282 155 I HN 0.356 nan 8.210 nan 0.000 0.426 156 T N 4.799 119.057 114.554 -0.494 0.000 3.012 156 T HA 0.429 4.409 4.350 -0.617 0.000 0.330 156 T C -1.575 173.125 174.700 0.000 0.000 1.321 156 T CA -0.278 61.694 62.100 -0.213 0.000 1.067 156 T CB 0.615 69.578 68.868 0.159 0.000 1.235 156 T HN 0.538 nan 8.240 nan 0.000 0.479 157 W N 2.879 124.214 121.300 0.058 0.000 2.093 157 W HA 0.465 4.755 4.660 -0.616 0.000 0.352 157 W C 1.269 177.699 176.519 -0.148 0.000 1.294 157 W CA -0.612 56.727 57.345 -0.010 0.000 1.290 157 W CB 0.615 30.069 29.460 -0.009 0.000 1.149 157 W HN 0.797 nan 8.180 nan 0.000 0.606 158 S N 0.841 116.386 115.700 -0.259 0.000 2.624 158 S HA 0.185 4.285 4.470 -0.617 0.000 0.263 158 S C -1.937 172.479 174.600 -0.305 0.000 1.287 158 S CA -1.004 56.599 58.200 -0.996 0.000 0.990 158 S CB 0.780 63.168 63.200 -1.354 0.000 0.950 158 S HN 0.260 nan 8.310 nan 0.000 0.561 159 P HA 0.067 nan 4.420 nan 0.000 0.223 159 P C 0.164 177.422 177.300 -0.070 0.000 1.151 159 P CA 0.600 63.675 63.100 -0.041 0.000 0.787 159 P CB -0.124 31.581 31.700 0.010 0.000 0.788 160 V N -6.664 113.156 119.914 -0.157 0.000 3.102 160 V HA 0.887 4.636 4.120 -0.617 0.000 0.312 160 V C 0.582 176.557 176.094 -0.198 0.000 1.135 160 V CA -0.404 61.816 62.300 -0.133 0.000 1.022 160 V CB 0.950 32.708 31.823 -0.108 0.000 1.056 160 V HN 0.368 nan 8.190 nan 0.000 0.436 161 G N 1.747 110.448 108.800 -0.165 0.000 2.566 161 G HA2 -0.207 3.383 3.960 -0.617 0.000 0.280 161 G HA3 -0.207 3.383 3.960 -0.617 0.000 0.280 161 G C 0.232 175.005 174.900 -0.212 0.000 1.225 161 G CA 0.845 45.800 45.100 -0.242 0.000 0.966 161 G HN 2.546 nan 8.290 nan 0.000 0.560 162 H N -0.683 118.324 119.070 -0.105 0.000 3.074 162 H HA 0.441 4.627 4.556 -0.617 0.000 0.227 162 H C 0.330 175.761 175.328 0.171 0.000 1.365 162 H CA -0.214 55.790 56.048 -0.073 0.000 1.078 162 H CB -0.228 29.455 29.762 -0.131 0.000 2.347 162 H HN 0.516 nan 8.280 nan 0.000 0.567 163 K N 1.395 121.809 120.400 0.024 0.000 2.120 163 K HA 0.536 4.485 4.320 -0.617 0.000 0.245 163 K C -0.343 176.375 176.600 0.196 0.000 1.024 163 K CA -0.456 55.846 56.287 0.025 0.000 0.906 163 K CB 1.396 33.719 32.500 -0.295 0.000 1.051 163 K HN 0.149 nan 8.250 nan 0.000 0.491 164 L N 0.385 121.738 121.223 0.216 0.000 2.445 164 L HA 0.557 4.527 4.340 -0.617 0.000 0.262 164 L C -1.219 175.829 176.870 0.298 0.000 0.974 164 L CA -0.873 54.056 54.840 0.149 0.000 0.822 164 L CB 2.232 44.229 42.059 -0.103 0.000 1.339 164 L HN 0.707 nan 8.230 nan 0.000 0.409 165 A N 2.385 125.361 122.820 0.260 0.000 2.393 165 A HA 0.872 4.821 4.320 -0.617 0.000 0.306 165 A C -1.697 175.899 177.584 0.020 0.000 1.050 165 A CA -0.388 51.682 52.037 0.056 0.000 0.724 165 A CB 1.412 20.362 19.000 -0.084 0.000 1.248 165 A HN 0.660 nan 8.150 nan 0.000 0.424 166 Y N -0.724 119.536 120.300 -0.067 0.000 2.625 166 Y HA 0.762 4.942 4.550 -0.618 0.000 0.338 166 Y C -1.292 174.632 175.900 0.040 0.000 1.123 166 Y CA -1.610 56.439 58.100 -0.085 0.000 1.046 166 Y CB 0.951 39.300 38.460 -0.184 0.000 1.299 166 Y HN 0.441 nan 8.280 nan 0.000 0.464 167 V N 1.857 121.940 119.914 0.283 0.000 2.459 167 V HA 0.438 4.188 4.120 -0.617 0.000 0.295 167 V C -1.441 174.907 176.094 0.423 0.000 1.029 167 V CA -0.651 61.792 62.300 0.239 0.000 0.874 167 V CB 1.445 33.324 31.823 0.094 0.000 0.985 167 V HN 0.890 nan 8.190 nan 0.000 0.438 168 W N 4.822 126.245 121.300 0.206 0.000 3.211 168 W HA 0.448 4.739 4.660 -0.615 0.000 0.335 168 W C 0.212 176.792 176.519 0.103 0.000 1.113 168 W CA -0.532 56.891 57.345 0.130 0.000 1.235 168 W CB 1.229 30.730 29.460 0.068 0.000 1.365 168 W HN 0.775 nan 8.180 nan 0.000 0.476 169 N N 5.447 123.789 118.700 -0.597 0.000 2.735 169 N HA -0.347 4.023 4.740 -0.617 0.000 0.248 169 N C 0.191 175.567 175.510 -0.223 0.000 1.083 169 N CA 1.181 53.881 53.050 -0.583 0.000 0.703 169 N CB -1.128 36.785 38.487 -0.956 0.000 1.005 169 N HN 0.900 nan 8.380 nan 0.000 0.550 170 N N -1.584 117.049 118.700 -0.113 0.000 2.828 170 N HA -0.167 4.203 4.740 -0.617 0.000 0.248 170 N C -1.325 174.145 175.510 -0.067 0.000 1.044 170 N CA 1.091 54.098 53.050 -0.071 0.000 0.851 170 N CB -0.283 38.109 38.487 -0.157 0.000 1.136 170 N HN 0.408 nan 8.380 nan 0.000 0.572 171 D N 0.332 120.715 120.400 -0.029 0.000 2.433 171 D HA 0.489 4.759 4.640 -0.617 0.000 0.236 171 D C 0.079 176.256 176.300 -0.204 0.000 1.026 171 D CA -0.375 53.522 54.000 -0.172 0.000 0.884 171 D CB 1.661 42.330 40.800 -0.218 0.000 1.384 171 D HN 0.019 nan 8.370 nan 0.000 0.477 172 I N 1.362 121.605 120.570 -0.545 0.000 2.440 172 I HA 0.264 4.064 4.170 -0.617 0.000 0.294 172 I C -0.718 174.842 176.117 -0.928 0.000 0.995 172 I CA -0.464 60.489 61.300 -0.579 0.000 1.306 172 I CB 0.653 38.244 38.000 -0.681 0.000 1.407 172 I HN 0.168 nan 8.210 nan 0.000 0.501 173 Y N 3.664 123.552 120.300 -0.687 0.000 2.512 173 Y HA 0.627 4.807 4.550 -0.618 0.000 0.348 173 Y C -0.419 175.085 175.900 -0.660 0.000 0.990 173 Y CA -0.905 56.735 58.100 -0.767 0.000 1.033 173 Y CB 2.086 39.849 38.460 -1.161 0.000 1.259 173 Y HN 0.102 nan 8.280 nan 0.000 0.461 174 V N 2.807 122.564 119.914 -0.262 0.000 2.588 174 V HA 0.476 4.226 4.120 -0.617 0.000 0.304 174 V C -0.959 175.146 176.094 0.018 0.000 1.042 174 V CA -1.376 60.870 62.300 -0.089 0.000 0.877 174 V CB 2.040 33.836 31.823 -0.045 0.000 0.996 174 V HN 0.618 nan 8.190 nan 0.000 0.425 175 K N 3.359 123.814 120.400 0.092 0.000 2.483 175 K HA 0.429 4.379 4.320 -0.617 0.000 0.256 175 K C 0.453 177.114 176.600 0.102 0.000 0.961 175 K CA -0.295 56.046 56.287 0.091 0.000 0.873 175 K CB 1.438 33.993 32.500 0.091 0.000 1.107 175 K HN 0.621 nan 8.250 nan 0.000 0.432 176 N N 1.364 120.115 118.700 0.086 0.000 2.309 176 N HA -0.092 4.277 4.740 -0.617 0.000 0.182 176 N C -0.280 175.288 175.510 0.096 0.000 1.018 176 N CA 0.832 53.929 53.050 0.080 0.000 0.876 176 N CB 0.340 38.862 38.487 0.058 0.000 0.972 176 N HN 0.419 nan 8.380 nan 0.000 0.434 177 E N -0.989 119.258 120.200 0.079 0.000 2.292 177 E HA 0.187 4.167 4.350 -0.617 0.000 0.272 177 E C -1.947 174.623 176.600 -0.051 0.000 0.881 177 E CA -1.952 54.483 56.400 0.059 0.000 0.754 177 E CB 2.057 31.800 29.700 0.072 0.000 1.201 177 E HN -0.187 nan 8.360 nan 0.000 0.425 178 P HA -0.229 nan 4.420 nan 0.000 0.217 178 P C 0.968 178.216 177.300 -0.087 0.000 1.162 178 P CA 1.687 64.637 63.100 -0.250 0.000 0.901 178 P CB 0.274 31.617 31.700 -0.596 0.000 0.793 179 N N -1.167 117.508 118.700 -0.042 0.000 2.494 179 N HA -0.057 4.312 4.740 -0.617 0.000 0.182 179 N C 0.562 176.077 175.510 0.007 0.000 1.076 179 N CA 0.687 53.739 53.050 0.004 0.000 0.908 179 N CB -0.646 37.860 38.487 0.031 0.000 0.967 179 N HN 0.095 nan 8.380 nan 0.000 0.449 180 L N 1.495 122.723 121.223 0.009 0.000 2.468 180 L HA 0.198 4.168 4.340 -0.617 0.000 0.254 180 L C 1.050 177.930 176.870 0.016 0.000 1.171 180 L CA -0.181 54.670 54.840 0.019 0.000 0.809 180 L CB 1.159 43.236 42.059 0.030 0.000 1.155 180 L HN 0.245 nan 8.230 nan 0.000 0.473 181 S N 0.227 115.939 115.700 0.019 0.000 2.617 181 S HA 0.307 4.406 4.470 -0.617 0.000 0.269 181 S C 0.121 174.743 174.600 0.036 0.000 1.292 181 S CA -0.506 57.704 58.200 0.018 0.000 1.010 181 S CB 1.234 64.442 63.200 0.014 0.000 0.944 181 S HN 0.659 nan 8.310 nan 0.000 0.536 182 S N 1.082 116.810 115.700 0.048 0.000 2.601 182 S HA 0.420 4.520 4.470 -0.617 0.000 0.271 182 S C -0.426 174.211 174.600 0.062 0.000 1.305 182 S CA -0.614 57.628 58.200 0.071 0.000 1.022 182 S CB 0.887 64.161 63.200 0.124 0.000 0.940 182 S HN 0.931 nan 8.310 nan 0.000 0.525 183 Q N 1.373 121.184 119.800 0.017 0.000 2.293 183 Q HA 0.395 4.365 4.340 -0.617 0.000 0.261 183 Q C -0.509 175.385 176.000 -0.177 0.000 0.960 183 Q CA -0.556 55.230 55.803 -0.027 0.000 0.882 183 Q CB 1.280 30.005 28.738 -0.022 0.000 1.275 183 Q HN 0.776 nan 8.270 nan 0.000 0.445 184 R N 4.498 124.834 120.500 -0.275 0.000 2.389 184 R HA 0.149 4.119 4.340 -0.617 0.000 0.295 184 R C 0.077 175.862 176.300 -0.859 0.000 1.075 184 R CA -0.136 55.478 56.100 -0.811 0.000 1.005 184 R CB 0.402 30.223 30.300 -0.798 0.000 0.987 184 R HN 0.805 nan 8.270 nan 0.000 0.452 185 I N 2.255 122.233 120.570 -0.987 0.000 3.081 185 I HA -0.001 3.799 4.170 -0.617 0.000 0.274 185 I C 0.974 176.644 176.117 -0.746 0.000 1.178 185 I CA 0.890 61.771 61.300 -0.699 0.000 1.460 185 I CB -0.413 37.216 38.000 -0.618 0.000 1.137 185 I HN 0.689 nan 8.210 nan 0.000 0.443 186 T N -4.097 109.858 114.554 -0.998 0.000 2.906 186 T HA 0.383 4.363 4.350 -0.617 0.000 0.295 186 T C -0.084 174.156 174.700 -0.767 0.000 1.075 186 T CA -0.537 61.176 62.100 -0.645 0.000 1.005 186 T CB 2.182 70.732 68.868 -0.529 0.000 1.136 186 T HN 0.206 nan 8.240 nan 0.000 0.498 187 W N 0.373 121.572 121.300 -0.169 0.000 2.555 187 W HA 0.105 4.395 4.660 -0.617 0.000 0.324 187 W C 1.716 178.197 176.519 -0.065 0.000 0.973 187 W CA 0.234 57.520 57.345 -0.098 0.000 1.481 187 W CB 0.378 29.794 29.460 -0.073 0.000 1.064 187 W HN 0.942 nan 8.180 nan 0.000 0.543 188 T N -1.886 112.732 114.554 0.106 0.000 3.113 188 T HA 0.141 4.121 4.350 -0.617 0.000 0.256 188 T C 1.280 175.989 174.700 0.014 0.000 1.131 188 T CA 0.374 62.517 62.100 0.071 0.000 1.074 188 T CB -0.161 68.753 68.868 0.077 0.000 0.944 188 T HN -0.038 nan 8.240 nan 0.000 0.516 189 G N 1.338 110.118 108.800 -0.034 0.000 2.224 189 G HA2 0.300 3.890 3.960 -0.617 0.000 0.239 189 G HA3 0.300 3.890 3.960 -0.617 0.000 0.239 189 G C -0.568 174.282 174.900 -0.083 0.000 1.240 189 G CA -0.351 44.704 45.100 -0.074 0.000 0.896 189 G HN 0.571 nan 8.290 nan 0.000 0.496 190 K N 2.144 122.465 120.400 -0.132 0.000 2.581 190 K HA 0.178 4.128 4.320 -0.617 0.000 0.249 190 K C -0.143 176.336 176.600 -0.202 0.000 0.966 190 K CA -0.684 55.526 56.287 -0.127 0.000 0.811 190 K CB 1.609 34.068 32.500 -0.069 0.000 1.223 190 K HN 0.635 nan 8.250 nan 0.000 0.438 191 E N 3.546 123.641 120.200 -0.175 0.000 2.820 191 E HA -0.211 3.768 4.350 -0.617 0.000 0.251 191 E C -0.361 176.154 176.600 -0.141 0.000 0.944 191 E CA 1.188 57.485 56.400 -0.171 0.000 0.955 191 E CB -0.057 29.574 29.700 -0.115 0.000 0.904 191 E HN 0.796 nan 8.360 nan 0.000 0.513 192 N N 1.737 120.343 118.700 -0.158 0.000 2.778 192 N HA -0.264 4.106 4.740 -0.617 0.000 0.249 192 N C 0.115 175.635 175.510 0.016 0.000 1.069 192 N CA 0.512 53.569 53.050 0.012 0.000 0.831 192 N CB -0.391 38.135 38.487 0.064 0.000 1.142 192 N HN 0.298 nan 8.380 nan 0.000 0.573 193 V N -0.922 118.908 119.914 -0.141 0.000 3.177 193 V HA 0.272 4.022 4.120 -0.617 0.000 0.219 193 V C 0.121 176.232 176.094 0.029 0.000 1.344 193 V CA 0.475 62.776 62.300 0.001 0.000 1.324 193 V CB 0.845 32.667 31.823 -0.002 0.000 1.165 193 V HN 0.096 nan 8.190 nan 0.000 0.510 194 I N 0.914 121.407 120.570 -0.128 0.000 2.466 194 I HA 0.480 4.279 4.170 -0.617 0.000 0.289 194 I C -1.542 174.504 176.117 -0.119 0.000 1.026 194 I CA -0.632 60.673 61.300 0.009 0.000 1.078 194 I CB 1.377 39.394 38.000 0.028 0.000 1.249 194 I HN 0.191 nan 8.210 nan 0.000 0.429 195 Y N 4.534 124.929 120.300 0.159 0.000 2.341 195 Y HA 0.446 4.625 4.550 -0.619 0.000 0.338 195 Y C 0.342 176.321 175.900 0.131 0.000 0.965 195 Y CA -0.840 57.356 58.100 0.160 0.000 1.108 195 Y CB 1.391 40.008 38.460 0.262 0.000 1.180 195 Y HN 0.399 nan 8.280 nan 0.000 0.458 196 N N 1.888 120.680 118.700 0.153 0.000 2.443 196 N HA 0.396 4.766 4.740 -0.617 0.000 0.269 196 N C 0.659 176.141 175.510 -0.046 0.000 0.985 196 N CA 0.319 53.395 53.050 0.043 0.000 0.921 196 N CB 1.953 40.349 38.487 -0.151 0.000 1.195 196 N HN 0.979 nan 8.380 nan 0.000 0.492 197 G N 0.452 109.255 108.800 0.005 0.000 2.195 197 G HA2 -0.267 3.323 3.960 -0.617 0.000 0.246 197 G HA3 -0.267 3.323 3.960 -0.617 0.000 0.246 197 G C -0.041 174.748 174.900 -0.186 0.000 0.984 197 G CA 0.608 45.638 45.100 -0.117 0.000 0.633 197 G HN 0.723 nan 8.290 nan 0.000 0.525 198 V N -2.075 117.789 119.914 -0.083 0.000 3.114 198 V HA 0.924 4.673 4.120 -0.617 0.000 0.308 198 V C 0.291 176.401 176.094 0.027 0.000 1.168 198 V CA -0.018 62.095 62.300 -0.311 0.000 1.015 198 V CB 1.420 32.757 31.823 -0.811 0.000 1.050 198 V HN 1.182 nan 8.190 nan 0.000 0.433 199 T N -0.006 114.456 114.554 -0.153 0.000 2.882 199 T HA 0.484 4.464 4.350 -0.617 0.000 0.287 199 T C -0.088 174.267 174.700 -0.574 0.000 1.014 199 T CA -0.079 61.700 62.100 -0.534 0.000 1.049 199 T CB 1.064 69.683 68.868 -0.415 0.000 1.001 199 T HN 1.119 nan 8.240 nan 0.000 0.525 200 D N 0.262 120.092 120.400 -0.950 0.000 2.478 200 D HA 0.025 4.295 4.640 -0.617 0.000 0.274 200 D C 0.978 177.100 176.300 -0.296 0.000 1.234 200 D CA -1.065 52.414 54.000 -0.869 0.000 1.069 200 D CB 0.093 40.474 40.800 -0.698 0.000 1.113 200 D HN 0.701 nan 8.370 nan 0.000 0.571 201 W N 0.056 121.225 121.300 -0.219 0.000 2.333 201 W HA -0.213 4.082 4.660 -0.609 0.000 0.316 201 W C 2.203 178.566 176.519 -0.260 0.000 1.215 201 W CA 2.303 59.537 57.345 -0.185 0.000 1.278 201 W CB -0.484 28.820 29.460 -0.260 0.000 1.154 201 W HN 0.181 nan 8.180 nan 0.000 0.486 202 V N -0.112 119.824 119.914 0.037 0.000 2.515 202 V HA -0.290 3.460 4.120 -0.617 0.000 0.250 202 V C 1.866 177.710 176.094 -0.417 0.000 1.058 202 V CA 1.962 64.161 62.300 -0.167 0.000 1.064 202 V CB -0.739 31.003 31.823 -0.136 0.000 0.675 202 V HN 0.301 nan 8.190 nan 0.000 0.461 203 Y N 0.634 120.623 120.300 -0.520 0.000 2.242 203 Y HA -0.173 4.006 4.550 -0.618 0.000 0.291 203 Y C 2.585 178.149 175.900 -0.559 0.000 1.137 203 Y CA 2.134 59.826 58.100 -0.680 0.000 1.181 203 Y CB -0.062 37.742 38.460 -1.092 0.000 0.989 203 Y HN 0.396 nan 8.280 nan 0.000 0.527 204 E N 0.261 120.274 120.200 -0.311 0.000 2.047 204 E HA -0.277 3.703 4.350 -0.617 0.000 0.191 204 E C 1.977 178.477 176.600 -0.166 0.000 0.987 204 E CA 1.529 57.831 56.400 -0.163 0.000 0.799 204 E CB 0.011 29.657 29.700 -0.090 0.000 0.752 204 E HN 0.388 nan 8.360 nan 0.000 0.449 205 E N 0.157 120.077 120.200 -0.467 0.000 2.076 205 E HA -0.127 3.853 4.350 -0.617 0.000 0.190 205 E C 1.605 178.063 176.600 -0.237 0.000 0.979 205 E CA 1.320 57.454 56.400 -0.443 0.000 0.807 205 E CB 0.214 29.292 29.700 -1.037 0.000 0.761 205 E HN 0.218 nan 8.360 nan 0.000 0.454 206 E N -0.804 119.226 120.200 -0.283 0.000 2.413 206 E HA 0.099 4.079 4.350 -0.617 0.000 0.203 206 E C 1.733 178.224 176.600 -0.182 0.000 0.957 206 E CA 0.396 56.696 56.400 -0.166 0.000 0.950 206 E CB 0.894 30.480 29.700 -0.190 0.000 0.957 206 E HN 0.189 nan 8.360 nan 0.000 0.497 207 V N -0.003 119.740 119.914 -0.285 0.000 2.735 207 V HA 0.021 3.771 4.120 -0.617 0.000 0.234 207 V C 1.628 177.791 176.094 0.116 0.000 1.121 207 V CA 0.725 62.887 62.300 -0.230 0.000 1.160 207 V CB -0.324 31.127 31.823 -0.621 0.000 0.908 207 V HN 0.021 nan 8.190 nan 0.000 0.495 208 F N 0.577 120.530 119.950 0.005 0.000 2.664 208 F HA 0.310 4.467 4.527 -0.616 0.000 0.296 208 F C 1.662 177.419 175.800 -0.072 0.000 1.125 208 F CA -0.007 58.008 58.000 0.024 0.000 1.444 208 F CB -0.995 38.041 39.000 0.061 0.000 1.114 208 F HN 0.152 nan 8.300 nan 0.000 0.576 209 S N 0.151 115.880 115.700 0.049 0.000 3.682 209 S HA 0.057 4.156 4.470 -0.617 0.000 0.354 209 S C 0.090 174.294 174.600 -0.660 0.000 1.034 209 S CA 0.471 58.586 58.200 -0.142 0.000 1.084 209 S CB -1.590 61.590 63.200 -0.033 0.000 0.903 209 S HN 0.715 nan 8.310 nan 0.000 0.470 210 A N -0.583 122.029 122.820 -0.347 0.000 2.597 210 A HA 0.679 4.628 4.320 -0.617 0.000 0.292 210 A C -0.413 177.169 177.584 -0.004 0.000 1.057 210 A CA -0.400 51.465 52.037 -0.287 0.000 0.674 210 A CB 0.269 19.159 19.000 -0.184 0.000 1.278 210 A HN 0.428 nan 8.150 nan 0.000 0.416 211 Y N 1.333 121.513 120.300 -0.200 0.000 2.397 211 Y HA 0.253 4.435 4.550 -0.615 0.000 0.292 211 Y C 1.514 177.199 175.900 -0.359 0.000 1.115 211 Y CA 1.021 59.005 58.100 -0.194 0.000 1.208 211 Y CB -0.004 38.379 38.460 -0.129 0.000 1.046 211 Y HN 0.702 nan 8.280 nan 0.000 0.552 212 S N 0.563 115.810 115.700 -0.755 0.000 2.560 212 S HA 0.434 4.534 4.470 -0.617 0.000 0.284 212 S C 0.223 174.406 174.600 -0.695 0.000 1.327 212 S CA 0.300 57.764 58.200 -1.228 0.000 1.055 212 S CB 0.333 62.436 63.200 -1.828 0.000 0.868 212 S HN 0.485 nan 8.310 nan 0.000 0.506 213 A N 5.265 127.637 122.820 -0.746 0.000 3.165 213 A HA 0.494 4.444 4.320 -0.617 0.000 0.212 213 A C -0.720 176.236 177.584 -1.047 0.000 0.935 213 A CA -0.461 51.136 52.037 -0.733 0.000 1.100 213 A CB 0.024 19.123 19.000 0.165 0.000 1.260 213 A HN 0.687 nan 8.150 nan 0.000 0.532 214 L N 0.494 120.933 121.223 -1.307 0.000 2.431 214 L HA 0.640 4.610 4.340 -0.617 0.000 0.266 214 L C -1.362 175.085 176.870 -0.705 0.000 0.978 214 L CA -0.509 53.921 54.840 -0.683 0.000 0.822 214 L CB 2.145 44.025 42.059 -0.298 0.000 1.310 214 L HN 0.503 nan 8.230 nan 0.000 0.409 215 W N 2.429 123.794 121.300 0.109 0.000 2.728 215 W HA 0.217 4.506 4.660 -0.617 0.000 0.324 215 W C -1.058 175.689 176.519 0.381 0.000 1.012 215 W CA -1.015 56.504 57.345 0.290 0.000 1.279 215 W CB 1.261 30.933 29.460 0.354 0.000 1.289 215 W HN 0.473 nan 8.180 nan 0.000 0.418 216 W N 2.344 123.853 121.300 0.348 0.000 2.150 216 W HA 0.226 4.515 4.660 -0.617 0.000 0.341 216 W C 1.334 177.627 176.519 -0.376 0.000 1.276 216 W CA 0.418 57.813 57.345 0.083 0.000 1.238 216 W CB 0.836 30.320 29.460 0.040 0.000 1.128 216 W HN 0.186 nan 8.180 nan 0.000 0.581 217 S N 1.989 117.383 115.700 -0.510 0.000 2.600 217 S HA 0.188 4.288 4.470 -0.617 0.000 0.265 217 S C -1.829 172.462 174.600 -0.515 0.000 1.325 217 S CA -1.031 56.262 58.200 -1.512 0.000 1.002 217 S CB 1.071 63.589 63.200 -1.137 0.000 0.921 217 S HN 0.277 nan 8.310 nan 0.000 0.554 218 P HA -0.112 nan 4.420 nan 0.000 0.217 218 P C 0.836 178.090 177.300 -0.076 0.000 1.151 218 P CA 1.250 64.302 63.100 -0.080 0.000 0.849 218 P CB 0.012 31.722 31.700 0.018 0.000 0.787 219 N N -2.466 116.171 118.700 -0.104 0.000 2.203 219 N HA 0.089 4.459 4.740 -0.617 0.000 0.207 219 N C 0.994 176.413 175.510 -0.152 0.000 1.130 219 N CA 0.751 53.740 53.050 -0.102 0.000 0.861 219 N CB 0.471 38.919 38.487 -0.065 0.000 1.005 219 N HN 0.062 nan 8.380 nan 0.000 0.507 220 G N 0.224 108.931 108.800 -0.155 0.000 2.179 220 G HA2 -0.306 3.284 3.960 -0.617 0.000 0.260 220 G HA3 -0.306 3.284 3.960 -0.617 0.000 0.260 220 G C 1.089 175.989 174.900 0.000 0.000 0.977 220 G CA 1.033 46.040 45.100 -0.155 0.000 0.641 220 G HN 0.354 nan 8.290 nan 0.000 0.533 221 T N 0.007 114.471 114.554 -0.149 0.000 2.701 221 T HA 0.218 4.197 4.350 -0.617 0.000 0.263 221 T C 0.841 175.270 174.700 -0.451 0.000 1.040 221 T CA 1.369 63.220 62.100 -0.414 0.000 1.147 221 T CB -0.076 68.289 68.868 -0.837 0.000 0.865 221 T HN 0.306 nan 8.240 nan 0.000 0.426 222 F N 0.392 120.380 119.950 0.063 0.000 2.458 222 F HA 0.642 4.799 4.527 -0.617 0.000 0.330 222 F C -0.278 175.571 175.800 0.082 0.000 1.082 222 F CA -1.705 56.356 58.000 0.103 0.000 0.995 222 F CB 1.177 40.284 39.000 0.178 0.000 1.170 222 F HN -0.113 nan 8.300 nan 0.000 0.478 223 L N 2.809 124.145 121.223 0.189 0.000 2.377 223 L HA 0.804 4.773 4.340 -0.617 0.000 0.270 223 L C -0.612 176.332 176.870 0.123 0.000 0.991 223 L CA -0.578 54.179 54.840 -0.138 0.000 0.851 223 L CB 0.636 42.299 42.059 -0.660 0.000 1.218 223 L HN 0.678 nan 8.230 nan 0.000 0.420 224 A N 4.673 127.673 122.820 0.301 0.000 2.293 224 A HA 0.772 4.721 4.320 -0.617 0.000 0.302 224 A C -1.262 176.454 177.584 0.220 0.000 1.119 224 A CA -0.154 51.962 52.037 0.132 0.000 0.823 224 A CB 0.542 19.666 19.000 0.208 0.000 1.097 224 A HN 0.957 nan 8.150 nan 0.000 0.491 225 Y N -1.862 118.314 120.300 -0.207 0.000 2.656 225 Y HA 0.736 4.915 4.550 -0.618 0.000 0.334 225 Y C -0.511 175.351 175.900 -0.062 0.000 1.179 225 Y CA -0.835 57.235 58.100 -0.051 0.000 1.050 225 Y CB 0.809 39.175 38.460 -0.157 0.000 1.308 225 Y HN 0.994 nan 8.280 nan 0.000 0.456 226 A N 2.106 125.028 122.820 0.170 0.000 2.355 226 A HA 0.674 4.624 4.320 -0.617 0.000 0.324 226 A C -1.390 176.081 177.584 -0.190 0.000 1.117 226 A CA -0.882 51.090 52.037 -0.107 0.000 0.785 226 A CB 1.886 20.826 19.000 -0.100 0.000 1.254 226 A HN 0.834 nan 8.150 nan 0.000 0.453 227 Q N 1.107 120.734 119.800 -0.287 0.000 2.333 227 Q HA 0.629 4.599 4.340 -0.617 0.000 0.267 227 Q C -2.017 173.729 176.000 -0.423 0.000 1.012 227 Q CA -0.390 55.347 55.803 -0.109 0.000 0.824 227 Q CB 0.981 29.859 28.738 0.234 0.000 1.290 227 Q HN 0.573 nan 8.270 nan 0.000 0.449 228 F N 2.484 122.528 119.950 0.156 0.000 2.469 228 F HA 0.398 4.556 4.527 -0.615 0.000 0.332 228 F C 0.326 176.256 175.800 0.217 0.000 1.103 228 F CA -0.927 57.132 58.000 0.097 0.000 0.979 228 F CB 1.502 40.479 39.000 -0.037 0.000 1.137 228 F HN 0.460 nan 8.300 nan 0.000 0.463 229 N N 2.130 121.027 118.700 0.329 0.000 2.518 229 N HA 0.212 4.581 4.740 -0.617 0.000 0.254 229 N C -0.860 174.802 175.510 0.252 0.000 0.979 229 N CA -0.317 52.889 53.050 0.259 0.000 0.930 229 N CB 0.958 39.545 38.487 0.167 0.000 1.152 229 N HN 0.535 nan 8.380 nan 0.000 0.505 230 D N 1.441 122.013 120.400 0.287 0.000 2.388 230 D HA 0.118 4.388 4.640 -0.617 0.000 0.221 230 D C 1.252 177.653 176.300 0.169 0.000 1.133 230 D CA 0.154 54.301 54.000 0.245 0.000 0.831 230 D CB 0.527 41.525 40.800 0.331 0.000 0.962 230 D HN 0.464 nan 8.370 nan 0.000 0.502 231 T N 0.424 115.059 114.554 0.136 0.000 2.620 231 T HA -0.236 3.743 4.350 -0.617 0.000 0.267 231 T C 1.418 176.165 174.700 0.079 0.000 1.044 231 T CA 1.389 63.545 62.100 0.093 0.000 1.161 231 T CB -0.083 68.830 68.868 0.075 0.000 0.862 231 T HN 0.322 nan 8.240 nan 0.000 0.438 232 E N 0.278 120.525 120.200 0.078 0.000 2.463 232 E HA 0.147 4.127 4.350 -0.617 0.000 0.193 232 E C -0.338 176.304 176.600 0.069 0.000 1.041 232 E CA -0.255 56.183 56.400 0.063 0.000 0.879 232 E CB 0.446 30.176 29.700 0.050 0.000 0.997 232 E HN 0.217 nan 8.360 nan 0.000 0.478 233 V N 3.529 123.498 119.914 0.091 0.000 2.508 233 V HA 0.098 3.848 4.120 -0.617 0.000 0.281 233 V C -2.011 174.133 176.094 0.083 0.000 1.041 233 V CA -1.542 60.815 62.300 0.095 0.000 1.016 233 V CB 0.487 32.384 31.823 0.123 0.000 0.984 233 V HN 0.031 nan 8.190 nan 0.000 0.478 234 P HA 0.212 nan 4.420 nan 0.000 0.270 234 P C -0.692 176.639 177.300 0.052 0.000 1.223 234 P CA -0.190 62.942 63.100 0.054 0.000 0.785 234 P CB 0.493 32.224 31.700 0.051 0.000 0.923 235 L N 2.144 123.376 121.223 0.015 0.000 2.295 235 L HA 0.447 4.416 4.340 -0.617 0.000 0.285 235 L C 0.331 177.151 176.870 -0.083 0.000 1.035 235 L CA -0.956 53.874 54.840 -0.016 0.000 0.806 235 L CB 1.034 43.078 42.059 -0.025 0.000 1.214 235 L HN 0.300 nan 8.230 nan 0.000 0.426 236 I N 2.703 123.177 120.570 -0.159 0.000 2.396 236 I HA 0.260 4.060 4.170 -0.617 0.000 0.292 236 I C -0.334 175.633 176.117 -0.249 0.000 0.999 236 I CA 0.273 61.387 61.300 -0.311 0.000 1.310 236 I CB 0.881 38.441 38.000 -0.733 0.000 1.404 236 I HN 0.569 nan 8.210 nan 0.000 0.496 237 E N 7.311 127.389 120.200 -0.203 0.000 2.248 237 E HA 0.520 4.500 4.350 -0.617 0.000 0.267 237 E C -1.802 174.744 176.600 -0.090 0.000 0.877 237 E CA -0.627 55.657 56.400 -0.195 0.000 0.759 237 E CB 2.209 31.823 29.700 -0.144 0.000 1.182 237 E HN 0.591 nan 8.360 nan 0.000 0.418 238 Y N -2.010 118.192 120.300 -0.164 0.000 2.624 238 Y HA 0.505 4.675 4.550 -0.634 0.000 0.334 238 Y C -0.770 175.047 175.900 -0.139 0.000 1.155 238 Y CA -1.230 56.779 58.100 -0.152 0.000 1.046 238 Y CB 0.881 39.252 38.460 -0.149 0.000 1.316 238 Y HN 0.212 nan 8.280 nan 0.000 0.457 239 S N 2.036 117.732 115.700 -0.007 0.000 2.565 239 S HA 0.462 4.562 4.470 -0.617 0.000 0.276 239 S C -1.387 173.041 174.600 -0.287 0.000 1.326 239 S CA -0.331 57.710 58.200 -0.266 0.000 1.045 239 S CB 0.363 63.250 63.200 -0.522 0.000 0.918 239 S HN 0.520 nan 8.310 nan 0.000 0.505 240 F N 2.553 122.226 119.950 -0.463 0.000 2.499 240 F HA 0.425 4.585 4.527 -0.612 0.000 0.333 240 F C -0.208 175.344 175.800 -0.413 0.000 1.138 240 F CA -0.964 56.856 58.000 -0.299 0.000 0.945 240 F CB 0.758 39.710 39.000 -0.080 0.000 1.181 240 F HN 0.661 nan 8.300 nan 0.000 0.435 241 Y N 2.740 122.772 120.300 -0.447 0.000 2.365 241 Y HA 0.083 4.192 4.550 -0.736 0.000 0.293 241 Y C 1.762 177.548 175.900 -0.189 0.000 1.119 241 Y CA 1.202 59.147 58.100 -0.258 0.000 1.203 241 Y CB -0.522 37.780 38.460 -0.262 0.000 1.026 241 Y HN 0.734 nan 8.280 nan 0.000 0.549 242 S N -0.153 115.392 115.700 -0.258 0.000 3.513 242 S HA -0.285 3.814 4.470 -0.617 0.000 0.636 242 S C -0.105 174.526 174.600 0.051 0.000 2.452 242 S CA 0.223 58.456 58.200 0.054 0.000 2.644 242 S CB -1.341 62.010 63.200 0.252 0.000 0.331 242 S HN 0.610 nan 8.310 nan 0.000 1.787 243 D N 0.955 121.412 120.400 0.095 0.000 2.419 243 D HA 0.048 4.318 4.640 -0.617 0.000 0.236 243 D C 1.427 177.754 176.300 0.045 0.000 1.165 243 D CA 0.713 54.752 54.000 0.064 0.000 0.882 243 D CB 0.597 41.439 40.800 0.069 0.000 1.201 243 D HN 0.621 nan 8.370 nan 0.000 0.443 244 E N 0.952 121.168 120.200 0.027 0.000 2.219 244 E HA -0.245 3.735 4.350 -0.617 0.000 0.198 244 E C 1.752 178.363 176.600 0.017 0.000 0.998 244 E CA 1.444 57.852 56.400 0.013 0.000 0.818 244 E CB 0.045 29.747 29.700 0.004 0.000 0.741 244 E HN 0.520 nan 8.360 nan 0.000 0.477 245 S N 0.061 115.778 115.700 0.028 0.000 2.447 245 S HA -0.085 4.014 4.470 -0.617 0.000 0.233 245 S C 1.128 175.752 174.600 0.040 0.000 1.006 245 S CA 0.051 58.269 58.200 0.030 0.000 0.957 245 S CB -0.204 63.017 63.200 0.035 0.000 0.773 245 S HN 0.256 nan 8.310 nan 0.000 0.507 246 L N 2.299 123.553 121.223 0.053 0.000 2.433 246 L HA 0.144 4.113 4.340 -0.617 0.000 0.275 246 L C 1.608 178.511 176.870 0.056 0.000 1.128 246 L CA -0.033 54.850 54.840 0.071 0.000 0.875 246 L CB 0.906 43.019 42.059 0.090 0.000 1.171 246 L HN 0.417 nan 8.230 nan 0.000 0.463 247 Q N 3.894 123.736 119.800 0.070 0.000 2.123 247 Q HA -0.091 3.879 4.340 -0.617 0.000 0.199 247 Q C -0.658 175.259 176.000 -0.138 0.000 0.966 247 Q CA 1.291 57.086 55.803 -0.013 0.000 0.845 247 Q CB 0.253 29.017 28.738 0.044 0.000 0.907 247 Q HN 0.577 nan 8.270 nan 0.000 0.439 248 Y N 0.288 120.598 120.300 0.018 0.000 2.364 248 Y HA 0.390 4.568 4.550 -0.620 0.000 0.340 248 Y C -2.071 173.834 175.900 0.009 0.000 0.975 248 Y CA -3.009 55.098 58.100 0.012 0.000 1.089 248 Y CB 1.322 39.782 38.460 -0.000 0.000 1.192 248 Y HN 0.109 nan 8.280 nan 0.000 0.454 249 P HA 0.108 nan 4.420 nan 0.000 0.270 249 P C -0.824 176.481 177.300 0.009 0.000 1.223 249 P CA -0.482 62.626 63.100 0.013 0.000 0.785 249 P CB 0.771 32.417 31.700 -0.090 0.000 0.923 250 K N 0.520 120.906 120.400 -0.022 0.000 2.110 250 K HA 0.493 4.443 4.320 -0.617 0.000 0.263 250 K C -0.434 176.121 176.600 -0.074 0.000 0.975 250 K CA -0.159 56.123 56.287 -0.008 0.000 0.895 250 K CB 0.608 33.144 32.500 0.059 0.000 1.060 250 K HN 0.288 nan 8.250 nan 0.000 0.448 251 T N 2.026 116.524 114.554 -0.094 0.000 2.758 251 T HA 0.341 4.320 4.350 -0.617 0.000 0.285 251 T C -0.694 173.880 174.700 -0.210 0.000 0.981 251 T CA -0.643 61.366 62.100 -0.152 0.000 0.965 251 T CB 0.841 69.634 68.868 -0.125 0.000 0.927 251 T HN 0.157 nan 8.240 nan 0.000 0.448 252 V N 5.551 125.236 119.914 -0.380 0.000 2.546 252 V HA 0.470 4.219 4.120 -0.617 0.000 0.284 252 V C 0.317 176.127 176.094 -0.474 0.000 1.050 252 V CA -0.546 61.462 62.300 -0.486 0.000 0.981 252 V CB 1.006 32.322 31.823 -0.845 0.000 0.990 252 V HN 0.725 nan 8.190 nan 0.000 0.474 253 R N 5.580 125.927 120.500 -0.254 0.000 2.513 253 R HA 0.730 4.700 4.340 -0.617 0.000 0.301 253 R C -1.457 174.807 176.300 -0.060 0.000 0.968 253 R CA -0.634 55.366 56.100 -0.166 0.000 0.872 253 R CB 2.202 32.444 30.300 -0.097 0.000 1.177 253 R HN 0.565 nan 8.270 nan 0.000 0.444 254 I N 2.910 123.444 120.570 -0.060 0.000 2.569 254 I HA 0.317 4.117 4.170 -0.617 0.000 0.290 254 I C -2.522 173.626 176.117 0.051 0.000 1.088 254 I CA -2.667 58.656 61.300 0.039 0.000 1.047 254 I CB 2.951 40.907 38.000 -0.074 0.000 1.237 254 I HN 0.204 nan 8.210 nan 0.000 0.421 255 P HA 0.087 nan 4.420 nan 0.000 0.270 255 P C -1.508 175.882 177.300 0.150 0.000 1.242 255 P CA 0.242 63.430 63.100 0.146 0.000 0.768 255 P CB 0.015 31.842 31.700 0.211 0.000 0.820 256 Y N 6.632 126.896 120.300 -0.059 0.000 2.332 256 Y HA 0.403 4.591 4.550 -0.603 0.000 0.325 256 Y C -2.764 173.099 175.900 -0.061 0.000 1.054 256 Y CA -3.029 54.988 58.100 -0.138 0.000 1.119 256 Y CB 1.798 40.055 38.460 -0.338 0.000 1.168 256 Y HN 0.280 nan 8.280 nan 0.000 0.439 257 P HA 0.248 nan 4.420 nan 0.000 0.286 257 P C -0.906 176.453 177.300 0.098 0.000 1.321 257 P CA -0.155 62.987 63.100 0.069 0.000 0.790 257 P CB 1.259 32.974 31.700 0.025 0.000 0.897 258 K N 2.060 122.596 120.400 0.227 0.000 2.117 258 K HA 0.515 4.465 4.320 -0.617 0.000 0.240 258 K C 0.582 177.281 176.600 0.164 0.000 1.031 258 K CA -0.739 55.698 56.287 0.251 0.000 0.909 258 K CB 0.599 33.253 32.500 0.256 0.000 1.097 258 K HN 0.440 nan 8.250 nan 0.000 0.492 259 A N 0.563 123.503 122.820 0.199 0.000 2.567 259 A HA 0.288 4.238 4.320 -0.617 0.000 0.240 259 A C 1.184 178.810 177.584 0.070 0.000 1.053 259 A CA 1.013 53.154 52.037 0.173 0.000 0.755 259 A CB -1.108 18.076 19.000 0.307 0.000 0.978 259 A HN 0.897 nan 8.150 nan 0.000 0.507 260 G N 0.938 109.768 108.800 0.050 0.000 2.234 260 G HA2 0.083 3.672 3.960 -0.617 0.000 0.260 260 G HA3 0.083 3.672 3.960 -0.617 0.000 0.260 260 G C 0.731 175.641 174.900 0.018 0.000 0.987 260 G CA 0.820 45.922 45.100 0.004 0.000 0.625 260 G HN 2.190 nan 8.290 nan 0.000 0.532 261 A N -0.137 122.709 122.820 0.044 0.000 2.280 261 A HA 0.680 4.629 4.320 -0.617 0.000 0.268 261 A C 0.509 178.118 177.584 0.042 0.000 1.111 261 A CA 0.614 52.678 52.037 0.046 0.000 0.814 261 A CB 0.275 19.317 19.000 0.070 0.000 1.093 261 A HN 0.658 nan 8.150 nan 0.000 0.498 262 E N 0.525 120.750 120.200 0.042 0.000 2.376 262 E HA 0.146 4.126 4.350 -0.617 0.000 0.266 262 E C -0.355 176.280 176.600 0.058 0.000 1.009 262 E CA 0.247 56.671 56.400 0.040 0.000 0.902 262 E CB 0.176 29.900 29.700 0.041 0.000 0.972 262 E HN 0.553 nan 8.360 nan 0.000 0.439 263 N N 3.943 122.676 118.700 0.056 0.000 2.476 263 N HA 0.438 4.808 4.740 -0.617 0.000 0.276 263 N C -2.470 173.113 175.510 0.121 0.000 1.204 263 N CA -1.671 51.435 53.050 0.094 0.000 0.974 263 N CB 0.676 39.228 38.487 0.107 0.000 1.204 263 N HN 0.373 nan 8.380 nan 0.000 0.543 264 P HA 0.113 nan 4.420 nan 0.000 0.274 264 P C -0.501 176.938 177.300 0.230 0.000 1.231 264 P CA -0.095 63.144 63.100 0.232 0.000 0.790 264 P CB 0.413 32.294 31.700 0.301 0.000 0.951 265 T N -1.517 113.148 114.554 0.185 0.000 2.952 265 T HA 0.597 4.577 4.350 -0.617 0.000 0.286 265 T C -0.224 174.568 174.700 0.152 0.000 1.024 265 T CA -0.855 61.306 62.100 0.102 0.000 1.029 265 T CB 1.545 70.438 68.868 0.041 0.000 1.094 265 T HN 0.346 nan 8.240 nan 0.000 0.515 266 V N 0.212 120.184 119.914 0.098 0.000 2.962 266 V HA 0.761 4.511 4.120 -0.617 0.000 0.313 266 V C -1.682 174.445 176.094 0.055 0.000 1.099 266 V CA -0.947 61.390 62.300 0.060 0.000 0.971 266 V CB 2.117 34.033 31.823 0.155 0.000 1.028 266 V HN 1.016 nan 8.190 nan 0.000 0.430 267 K N 4.731 125.090 120.400 -0.068 0.000 2.482 267 K HA 0.511 4.460 4.320 -0.617 0.000 0.251 267 K C -1.838 174.588 176.600 -0.289 0.000 0.936 267 K CA -0.349 55.821 56.287 -0.196 0.000 0.791 267 K CB 2.633 34.968 32.500 -0.274 0.000 1.213 267 K HN 0.573 nan 8.250 nan 0.000 0.428 268 F N 3.294 122.959 119.950 -0.475 0.000 2.469 268 F HA 0.600 4.757 4.527 -0.618 0.000 0.332 268 F C -1.380 174.007 175.800 -0.687 0.000 1.103 268 F CA -0.649 57.099 58.000 -0.420 0.000 0.979 268 F CB 0.766 39.647 39.000 -0.198 0.000 1.137 268 F HN 0.396 nan 8.300 nan 0.000 0.463 269 F N 3.952 123.247 119.950 -1.091 0.000 2.599 269 F HA 0.682 4.838 4.527 -0.618 0.000 0.311 269 F C -1.025 174.297 175.800 -0.796 0.000 1.076 269 F CA -1.226 56.325 58.000 -0.748 0.000 0.937 269 F CB 2.043 40.588 39.000 -0.758 0.000 1.282 269 F HN 0.094 nan 8.300 nan 0.000 0.460 270 V N 2.985 122.826 119.914 -0.121 0.000 2.407 270 V HA 0.468 4.218 4.120 -0.617 0.000 0.291 270 V C -0.692 175.550 176.094 0.246 0.000 1.018 270 V CA -0.807 61.447 62.300 -0.077 0.000 0.842 270 V CB 1.658 33.211 31.823 -0.449 0.000 0.996 270 V HN 0.535 nan 8.190 nan 0.000 0.426 271 V N 3.585 123.669 119.914 0.284 0.000 2.439 271 V HA 0.340 4.089 4.120 -0.617 0.000 0.282 271 V C -0.001 176.348 176.094 0.425 0.000 1.039 271 V CA -0.431 62.055 62.300 0.310 0.000 0.913 271 V CB 1.837 33.761 31.823 0.168 0.000 0.983 271 V HN 0.878 nan 8.190 nan 0.000 0.460 272 D N 3.364 124.018 120.400 0.425 0.000 2.380 272 D HA 0.107 4.376 4.640 -0.617 0.000 0.230 272 D C 1.272 177.647 176.300 0.125 0.000 1.154 272 D CA 0.004 54.201 54.000 0.328 0.000 0.859 272 D CB 1.756 42.786 40.800 0.384 0.000 1.045 272 D HN 0.733 nan 8.370 nan 0.000 0.495 273 T N 1.429 116.005 114.554 0.037 0.000 3.118 273 T HA -0.003 3.977 4.350 -0.617 0.000 0.260 273 T C 1.608 176.324 174.700 0.026 0.000 1.139 273 T CA 0.359 62.490 62.100 0.052 0.000 1.085 273 T CB 0.007 68.957 68.868 0.136 0.000 0.934 273 T HN 0.312 nan 8.240 nan 0.000 0.518 274 R N 1.323 121.809 120.500 -0.024 0.000 2.120 274 R HA -0.035 3.935 4.340 -0.617 0.000 0.234 274 R C 2.506 178.819 176.300 0.021 0.000 1.123 274 R CA 1.783 57.871 56.100 -0.019 0.000 0.975 274 R CB -0.534 29.737 30.300 -0.047 0.000 0.866 274 R HN 0.671 nan 8.270 nan 0.000 0.446 275 T N -1.806 112.775 114.554 0.046 0.000 3.086 275 T HA 0.220 4.199 4.350 -0.617 0.000 0.250 275 T C 0.664 175.397 174.700 0.056 0.000 1.074 275 T CA -0.239 61.895 62.100 0.056 0.000 0.988 275 T CB -0.001 68.912 68.868 0.076 0.000 0.988 275 T HN -0.022 nan 8.240 nan 0.000 0.530 276 L N 2.599 123.854 121.223 0.052 0.000 2.615 276 L HA 0.342 4.311 4.340 -0.617 0.000 0.271 276 L C 0.418 177.315 176.870 0.046 0.000 1.183 276 L CA 0.011 54.880 54.840 0.049 0.000 0.933 276 L CB 0.263 42.345 42.059 0.039 0.000 1.199 276 L HN 0.264 nan 8.230 nan 0.000 0.487 277 S N 4.367 120.098 115.700 0.051 0.000 2.533 277 S HA 0.474 4.573 4.470 -0.617 0.000 0.271 277 S C -1.845 172.787 174.600 0.054 0.000 1.143 277 S CA -1.176 57.052 58.200 0.047 0.000 0.891 277 S CB 1.957 65.183 63.200 0.043 0.000 1.105 277 S HN 0.347 nan 8.310 nan 0.000 0.468 278 P HA -0.120 nan 4.420 nan 0.000 0.217 278 P C 0.354 177.690 177.300 0.060 0.000 1.151 278 P CA 1.437 64.571 63.100 0.057 0.000 0.849 278 P CB -0.050 31.678 31.700 0.047 0.000 0.787 279 N N -0.753 117.975 118.700 0.048 0.000 2.251 279 N HA 0.245 4.615 4.740 -0.617 0.000 0.217 279 N C 0.372 175.905 175.510 0.038 0.000 1.124 279 N CA 0.031 53.105 53.050 0.040 0.000 0.843 279 N CB 0.482 38.987 38.487 0.030 0.000 1.024 279 N HN 0.149 nan 8.380 nan 0.000 0.501 280 A N 0.328 123.178 122.820 0.050 0.000 2.337 280 A HA 0.630 4.580 4.320 -0.617 0.000 0.331 280 A C 0.650 178.271 177.584 0.061 0.000 1.137 280 A CA -0.547 51.519 52.037 0.048 0.000 0.807 280 A CB 0.944 19.975 19.000 0.052 0.000 1.250 280 A HN 0.183 nan 8.150 nan 0.000 0.468 281 S N 0.138 115.864 115.700 0.043 0.000 2.641 281 S HA 0.496 4.596 4.470 -0.617 0.000 0.261 281 S C -0.024 174.631 174.600 0.092 0.000 1.257 281 S CA -0.427 57.796 58.200 0.038 0.000 0.983 281 S CB 0.606 63.806 63.200 0.000 0.000 0.990 281 S HN 0.852 nan 8.310 nan 0.000 0.572 282 V N 1.474 121.460 119.914 0.120 0.000 2.407 282 V HA 0.345 4.095 4.120 -0.617 0.000 0.278 282 V C 0.162 176.337 176.094 0.134 0.000 1.037 282 V CA -0.557 61.828 62.300 0.141 0.000 0.900 282 V CB 1.237 33.174 31.823 0.189 0.000 0.983 282 V HN 1.015 nan 8.190 nan 0.000 0.459 283 T N 4.618 119.263 114.554 0.152 0.000 2.747 283 T HA 0.460 4.440 4.350 -0.617 0.000 0.301 283 T C 0.091 174.946 174.700 0.258 0.000 0.952 283 T CA -0.147 62.073 62.100 0.199 0.000 0.983 283 T CB 0.467 69.463 68.868 0.213 0.000 0.930 283 T HN 0.890 nan 8.240 nan 0.000 0.494 284 S N 3.317 119.178 115.700 0.270 0.000 2.588 284 S HA 0.715 4.815 4.470 -0.617 0.000 0.275 284 S C -1.662 173.187 174.600 0.416 0.000 1.130 284 S CA -0.942 57.452 58.200 0.323 0.000 0.855 284 S CB 1.751 65.073 63.200 0.204 0.000 1.116 284 S HN 0.581 nan 8.310 nan 0.000 0.472 285 Y N 1.283 121.782 120.300 0.332 0.000 2.406 285 Y HA 0.485 4.665 4.550 -0.617 0.000 0.340 285 Y C -0.441 175.610 175.900 0.251 0.000 0.975 285 Y CA -0.473 57.820 58.100 0.322 0.000 1.056 285 Y CB 1.949 40.671 38.460 0.437 0.000 1.210 285 Y HN 0.912 nan 8.280 nan 0.000 0.448 286 Q N 6.465 126.023 119.800 -0.402 0.000 2.294 286 Q HA 0.465 4.435 4.340 -0.617 0.000 0.257 286 Q C -1.188 174.575 176.000 -0.395 0.000 0.955 286 Q CA -0.376 55.146 55.803 -0.469 0.000 0.936 286 Q CB 0.646 29.065 28.738 -0.532 0.000 1.188 286 Q HN 0.730 nan 8.270 nan 0.000 0.420 287 I N 5.146 125.671 120.570 -0.076 0.000 2.331 287 I HA 0.243 4.043 4.170 -0.617 0.000 0.292 287 I C 0.181 176.321 176.117 0.038 0.000 0.998 287 I CA -0.869 60.498 61.300 0.111 0.000 1.267 287 I CB 1.226 39.381 38.000 0.259 0.000 1.386 287 I HN 0.409 nan 8.210 nan 0.000 0.476 288 V N 5.085 124.952 119.914 -0.077 0.000 2.966 288 V HA 0.664 4.414 4.120 -0.617 0.000 0.317 288 V C -2.416 173.399 176.094 -0.466 0.000 1.070 288 V CA -2.035 60.105 62.300 -0.267 0.000 1.008 288 V CB 1.124 32.789 31.823 -0.264 0.000 1.070 288 V HN 0.529 nan 8.190 nan 0.000 0.457 289 P HA 0.398 nan 4.420 nan 0.000 0.274 289 P C -2.802 174.109 177.300 -0.648 0.000 1.237 289 P CA -1.592 60.703 63.100 -1.343 0.000 0.793 289 P CB -0.061 30.359 31.700 -2.134 0.000 0.977 290 P HA -0.047 nan 4.420 nan 0.000 0.269 290 P C 0.889 178.036 177.300 -0.255 0.000 1.211 290 P CA 0.332 63.294 63.100 -0.230 0.000 0.781 290 P CB 0.049 31.679 31.700 -0.118 0.000 0.877 291 A N 1.740 124.453 122.820 -0.178 0.000 2.024 291 A HA -0.181 3.769 4.320 -0.617 0.000 0.220 291 A C 2.008 179.486 177.584 -0.175 0.000 1.164 291 A CA 2.161 54.095 52.037 -0.171 0.000 0.643 291 A CB -1.638 17.291 19.000 -0.119 0.000 0.806 291 A HN 0.610 nan 8.150 nan 0.000 0.451 292 S N -1.373 114.242 115.700 -0.143 0.000 2.547 292 S HA 0.051 4.151 4.470 -0.617 0.000 0.235 292 S C 1.230 175.663 174.600 -0.279 0.000 0.980 292 S CA 1.194 59.288 58.200 -0.177 0.000 0.941 292 S CB 0.019 63.184 63.200 -0.059 0.000 0.763 292 S HN 0.258 nan 8.310 nan 0.000 0.532 293 V N 0.257 120.017 119.914 -0.256 0.000 3.371 293 V HA 0.284 4.034 4.120 -0.617 0.000 0.246 293 V C 1.961 177.820 176.094 -0.391 0.000 1.303 293 V CA 0.106 62.236 62.300 -0.284 0.000 1.156 293 V CB -0.022 31.666 31.823 -0.225 0.000 0.929 293 V HN 0.419 nan 8.190 nan 0.000 0.459 294 L N 0.349 121.291 121.223 -0.468 0.000 2.187 294 L HA -0.158 3.811 4.340 -0.617 0.000 0.213 294 L C 2.254 178.987 176.870 -0.228 0.000 1.100 294 L CA 1.886 56.448 54.840 -0.463 0.000 0.765 294 L CB -0.167 41.659 42.059 -0.387 0.000 0.904 294 L HN 0.379 nan 8.230 nan 0.000 0.437 295 I N -0.569 119.885 120.570 -0.194 0.000 2.399 295 I HA -0.162 3.638 4.170 -0.617 0.000 0.254 295 I C 1.120 177.184 176.117 -0.089 0.000 1.146 295 I CA 1.197 62.417 61.300 -0.132 0.000 1.412 295 I CB -0.007 37.907 38.000 -0.143 0.000 1.076 295 I HN 0.315 nan 8.210 nan 0.000 0.432 296 G N -1.099 107.661 108.800 -0.068 0.000 2.870 296 G HA2 0.237 3.827 3.960 -0.617 0.000 0.299 296 G HA3 0.237 3.827 3.960 -0.617 0.000 0.299 296 G C -1.558 173.368 174.900 0.042 0.000 1.324 296 G CA -0.562 44.519 45.100 -0.032 0.000 0.808 296 G HN -0.034 nan 8.290 nan 0.000 0.535 297 D N 1.260 121.638 120.400 -0.038 0.000 2.488 297 D HA 0.333 4.603 4.640 -0.617 0.000 0.238 297 D C 0.394 176.614 176.300 -0.134 0.000 1.138 297 D CA 0.853 54.774 54.000 -0.132 0.000 0.873 297 D CB 0.337 41.023 40.800 -0.189 0.000 1.183 297 D HN 0.533 nan 8.370 nan 0.000 0.458 298 H N -0.718 118.202 119.070 -0.251 0.000 2.933 298 H HA 0.459 4.645 4.556 -0.616 0.000 0.310 298 H C -1.328 173.883 175.328 -0.195 0.000 1.351 298 H CA -0.820 55.089 56.048 -0.231 0.000 1.137 298 H CB 0.408 30.142 29.762 -0.046 0.000 1.853 298 H HN 0.270 nan 8.280 nan 0.000 0.539 299 Y N 0.076 120.620 120.300 0.406 0.000 2.545 299 Y HA 0.394 4.574 4.550 -0.617 0.000 0.348 299 Y C -0.374 175.883 175.900 0.596 0.000 1.002 299 Y CA -1.163 57.187 58.100 0.417 0.000 1.039 299 Y CB 2.022 40.551 38.460 0.115 0.000 1.271 299 Y HN 0.498 nan 8.280 nan 0.000 0.467 300 L N 3.182 124.856 121.223 0.752 0.000 2.264 300 L HA 0.444 4.413 4.340 -0.617 0.000 0.289 300 L C 0.320 177.436 176.870 0.410 0.000 1.044 300 L CA -0.330 54.640 54.840 0.217 0.000 0.807 300 L CB 0.474 42.545 42.059 0.020 0.000 1.192 300 L HN 0.957 nan 8.230 nan 0.000 0.425 301 C N 1.712 121.120 119.300 0.180 0.000 3.228 301 C HA 0.861 4.951 4.460 -0.617 0.000 0.290 301 C C 0.742 175.820 174.990 0.147 0.000 1.301 301 C CA -0.023 59.171 59.018 0.293 0.000 1.703 301 C CB -0.881 26.971 27.740 0.187 0.000 2.141 301 C HN 0.952 nan 8.230 nan 0.000 0.656 302 G N -0.035 108.666 108.800 -0.166 0.000 2.702 302 G HA2 0.567 4.156 3.960 -0.617 0.000 0.296 302 G HA3 0.567 4.156 3.960 -0.617 0.000 0.296 302 G C -1.918 172.589 174.900 -0.656 0.000 1.463 302 G CA -0.191 44.705 45.100 -0.340 0.000 0.890 302 G HN 0.321 nan 8.290 nan 0.000 0.534 303 V N 0.705 120.153 119.914 -0.777 0.000 2.668 303 V HA 0.766 4.516 4.120 -0.617 0.000 0.304 303 V C -0.480 175.184 176.094 -0.717 0.000 1.071 303 V CA -0.682 60.994 62.300 -1.041 0.000 0.894 303 V CB 2.125 32.846 31.823 -1.837 0.000 1.008 303 V HN 0.920 nan 8.190 nan 0.000 0.425 304 T N 3.083 117.285 114.554 -0.587 0.000 2.937 304 T HA 0.384 4.363 4.350 -0.617 0.000 0.297 304 T C -0.948 173.532 174.700 -0.368 0.000 0.991 304 T CA -0.385 61.522 62.100 -0.323 0.000 0.990 304 T CB 0.955 69.724 68.868 -0.164 0.000 0.991 304 T HN 0.545 nan 8.240 nan 0.000 0.440 305 W N 2.856 124.064 121.300 -0.153 0.000 2.304 305 W HA 0.357 4.647 4.660 -0.618 0.000 0.313 305 W C 1.100 177.524 176.519 -0.157 0.000 1.323 305 W CA -0.408 56.867 57.345 -0.116 0.000 1.223 305 W CB 0.727 30.201 29.460 0.023 0.000 1.237 305 W HN 0.485 nan 8.180 nan 0.000 0.535 306 V N 1.920 121.821 119.914 -0.021 0.000 2.436 306 V HA 0.061 3.811 4.120 -0.617 0.000 0.240 306 V C 0.941 177.078 176.094 0.072 0.000 1.040 306 V CA 1.563 63.756 62.300 -0.178 0.000 1.052 306 V CB -0.437 31.048 31.823 -0.564 0.000 0.707 306 V HN 0.642 nan 8.190 nan 0.000 0.469 307 T N -4.294 110.366 114.554 0.176 0.000 2.812 307 T HA 0.345 4.325 4.350 -0.617 0.000 0.294 307 T C 0.438 175.326 174.700 0.313 0.000 1.159 307 T CA -0.519 61.701 62.100 0.200 0.000 1.008 307 T CB 1.991 70.951 68.868 0.154 0.000 1.289 307 T HN -0.046 nan 8.240 nan 0.000 0.514 308 E N 0.513 120.855 120.200 0.237 0.000 2.267 308 E HA -0.107 3.873 4.350 -0.617 0.000 0.197 308 E C 0.967 177.845 176.600 0.463 0.000 0.998 308 E CA 1.315 57.880 56.400 0.275 0.000 0.830 308 E CB 0.055 29.866 29.700 0.185 0.000 0.751 308 E HN 0.785 nan 8.360 nan 0.000 0.491 309 E N -0.261 120.164 120.200 0.375 0.000 2.660 309 E HA 0.149 4.129 4.350 -0.617 0.000 0.216 309 E C 0.306 177.125 176.600 0.365 0.000 0.986 309 E CA -0.190 56.401 56.400 0.319 0.000 1.037 309 E CB 0.928 30.741 29.700 0.190 0.000 1.041 309 E HN -0.110 nan 8.360 nan 0.000 0.480 310 R N 1.613 122.372 120.500 0.431 0.000 2.538 310 R HA 0.520 4.490 4.340 -0.617 0.000 0.292 310 R C -1.742 174.612 176.300 0.089 0.000 1.008 310 R CA -0.440 55.813 56.100 0.255 0.000 0.896 310 R CB 1.305 31.650 30.300 0.076 0.000 1.187 310 R HN 0.052 nan 8.270 nan 0.000 0.440 311 I N 2.384 122.877 120.570 -0.128 0.000 2.647 311 I HA 0.359 4.159 4.170 -0.617 0.000 0.295 311 I C -1.190 174.620 176.117 -0.513 0.000 1.078 311 I CA -0.519 60.427 61.300 -0.590 0.000 1.048 311 I CB 2.388 39.646 38.000 -1.237 0.000 1.239 311 I HN 0.657 nan 8.210 nan 0.000 0.421 312 S N 7.644 122.991 115.700 -0.589 0.000 2.433 312 S HA 0.617 4.717 4.470 -0.617 0.000 0.310 312 S C -0.861 173.407 174.600 -0.554 0.000 1.097 312 S CA -0.678 57.253 58.200 -0.448 0.000 1.103 312 S CB 0.489 63.505 63.200 -0.307 0.000 0.992 312 S HN 0.489 nan 8.310 nan 0.000 0.469 313 L N 4.395 125.312 121.223 -0.510 0.000 2.325 313 L HA 0.578 4.548 4.340 -0.617 0.000 0.278 313 L C -0.024 176.530 176.870 -0.527 0.000 1.023 313 L CA -0.662 53.746 54.840 -0.720 0.000 0.811 313 L CB 1.834 43.437 42.059 -0.759 0.000 1.249 313 L HN 0.638 nan 8.230 nan 0.000 0.431 314 Q N 2.160 121.572 119.800 -0.646 0.000 2.327 314 Q HA 0.385 4.355 4.340 -0.617 0.000 0.270 314 Q C -1.932 173.852 176.000 -0.359 0.000 1.022 314 Q CA -0.563 55.030 55.803 -0.350 0.000 0.773 314 Q CB 1.536 30.121 28.738 -0.254 0.000 1.251 314 Q HN 0.481 nan 8.270 nan 0.000 0.457 315 W N 3.706 124.985 121.300 -0.035 0.000 2.719 315 W HA 0.714 5.003 4.660 -0.618 0.000 0.352 315 W C -0.546 176.036 176.519 0.105 0.000 1.085 315 W CA -0.679 56.695 57.345 0.049 0.000 1.187 315 W CB 1.368 30.826 29.460 -0.004 0.000 1.417 315 W HN 0.511 nan 8.180 nan 0.000 0.557 316 I N 1.311 122.151 120.570 0.450 0.000 2.722 316 I HA 0.435 4.235 4.170 -0.617 0.000 0.295 316 I C -0.112 176.195 176.117 0.316 0.000 1.161 316 I CA -1.139 60.370 61.300 0.348 0.000 1.032 316 I CB 1.472 39.651 38.000 0.298 0.000 1.244 316 I HN 0.421 nan 8.210 nan 0.000 0.421 317 R N 4.117 124.758 120.500 0.235 0.000 2.774 317 R HA 0.214 4.184 4.340 -0.617 0.000 0.269 317 R C 1.044 177.366 176.300 0.036 0.000 1.068 317 R CA -0.260 55.898 56.100 0.097 0.000 1.180 317 R CB 0.422 30.738 30.300 0.028 0.000 1.077 317 R HN 0.600 nan 8.270 nan 0.000 0.513 318 R N 1.200 121.625 120.500 -0.124 0.000 2.105 318 R HA -0.177 3.793 4.340 -0.617 0.000 0.239 318 R C 1.872 178.187 176.300 0.025 0.000 1.135 318 R CA 1.827 57.798 56.100 -0.214 0.000 0.967 318 R CB -0.297 29.850 30.300 -0.255 0.000 0.861 318 R HN 0.759 nan 8.270 nan 0.000 0.442 319 A N 0.367 123.196 122.820 0.015 0.000 1.978 319 A HA -0.200 3.750 4.320 -0.617 0.000 0.220 319 A C 0.920 178.538 177.584 0.056 0.000 1.170 319 A CA 1.682 53.737 52.037 0.030 0.000 0.636 319 A CB -0.169 18.841 19.000 0.018 0.000 0.810 319 A HN 0.640 nan 8.150 nan 0.000 0.448 320 Q N -2.463 117.402 119.800 0.108 0.000 2.493 320 Q HA -0.218 3.752 4.340 -0.617 0.000 0.260 320 Q C -0.102 175.974 176.000 0.126 0.000 0.905 320 Q CA 0.749 56.629 55.803 0.127 0.000 1.140 320 Q CB -1.871 26.907 28.738 0.066 0.000 1.435 320 Q HN 0.984 nan 8.270 nan 0.000 0.581 321 N N -0.606 118.168 118.700 0.124 0.000 2.200 321 N HA 0.120 4.489 4.740 -0.617 0.000 0.224 321 N C -0.881 174.721 175.510 0.152 0.000 1.179 321 N CA -0.031 53.079 53.050 0.099 0.000 0.877 321 N CB 0.428 38.948 38.487 0.055 0.000 1.072 321 N HN 0.317 nan 8.380 nan 0.000 0.519 322 Y N 1.463 121.788 120.300 0.041 0.000 2.317 322 Y HA 0.536 4.715 4.550 -0.618 0.000 0.325 322 Y C -1.127 174.811 175.900 0.063 0.000 1.066 322 Y CA -1.219 56.905 58.100 0.040 0.000 1.203 322 Y CB 1.061 39.534 38.460 0.021 0.000 1.127 322 Y HN 0.155 nan 8.280 nan 0.000 0.451 323 S N 6.302 121.997 115.700 -0.009 0.000 2.599 323 S HA 0.848 4.947 4.470 -0.617 0.000 0.294 323 S C -1.353 173.218 174.600 -0.049 0.000 1.094 323 S CA -0.807 57.445 58.200 0.087 0.000 0.931 323 S CB 2.362 65.610 63.200 0.081 0.000 1.093 323 S HN 0.760 nan 8.310 nan 0.000 0.488 324 I N 1.163 121.784 120.570 0.085 0.000 2.656 324 I HA 0.521 4.321 4.170 -0.617 0.000 0.292 324 I C -1.775 174.391 176.117 0.081 0.000 1.144 324 I CA -1.304 60.028 61.300 0.053 0.000 1.038 324 I CB 1.625 39.694 38.000 0.115 0.000 1.244 324 I HN 0.780 nan 8.210 nan 0.000 0.420 325 I N 5.832 126.417 120.570 0.024 0.000 2.331 325 I HA 0.276 4.076 4.170 -0.617 0.000 0.292 325 I C -0.997 175.150 176.117 0.051 0.000 0.998 325 I CA -0.188 61.099 61.300 -0.022 0.000 1.267 325 I CB 1.373 39.279 38.000 -0.155 0.000 1.386 325 I HN 0.470 nan 8.210 nan 0.000 0.476 326 D N 7.664 128.081 120.400 0.028 0.000 2.462 326 D HA 0.411 4.681 4.640 -0.617 0.000 0.245 326 D C -0.651 175.636 176.300 -0.022 0.000 1.122 326 D CA -0.305 53.718 54.000 0.038 0.000 0.864 326 D CB 0.964 41.819 40.800 0.092 0.000 1.098 326 D HN 0.252 nan 8.370 nan 0.000 0.541 327 I N 3.981 124.564 120.570 0.021 0.000 2.301 327 I HA 0.269 4.068 4.170 -0.617 0.000 0.292 327 I C -0.208 175.920 176.117 0.018 0.000 1.046 327 I CA -0.612 60.683 61.300 -0.009 0.000 1.282 327 I CB 0.766 38.815 38.000 0.082 0.000 1.409 327 I HN 0.289 nan 8.210 nan 0.000 0.484 328 C N 4.666 123.975 119.300 0.014 0.000 2.355 328 C HA 0.446 4.536 4.460 -0.617 0.000 0.332 328 C C -0.105 175.015 174.990 0.217 0.000 1.255 328 C CA -0.781 58.310 59.018 0.123 0.000 1.792 328 C CB 0.815 28.666 27.740 0.184 0.000 2.300 328 C HN 0.590 nan 8.230 nan 0.000 0.515 329 D N 0.738 121.215 120.400 0.128 0.000 2.192 329 D HA 0.221 4.491 4.640 -0.617 0.000 0.246 329 D C -0.614 175.562 176.300 -0.207 0.000 1.042 329 D CA -0.191 53.831 54.000 0.037 0.000 0.847 329 D CB 1.234 42.031 40.800 -0.005 0.000 1.186 329 D HN 0.608 nan 8.370 nan 0.000 0.461 330 Y N 1.676 121.551 120.300 -0.708 0.000 2.465 330 Y HA 0.109 4.289 4.550 -0.617 0.000 0.331 330 Y C 0.015 175.563 175.900 -0.587 0.000 1.102 330 Y CA -0.141 57.231 58.100 -1.213 0.000 1.358 330 Y CB 0.603 38.173 38.460 -1.483 0.000 1.213 330 Y HN 0.147 nan 8.280 nan 0.000 0.525 331 D N 5.495 125.278 120.400 -1.027 0.000 2.428 331 D HA 0.107 4.377 4.640 -0.617 0.000 0.221 331 D C 0.513 176.245 176.300 -0.947 0.000 1.123 331 D CA -0.100 53.470 54.000 -0.716 0.000 0.869 331 D CB 0.663 41.165 40.800 -0.495 0.000 1.032 331 D HN 0.780 nan 8.370 nan 0.000 0.506 332 E N 1.325 121.142 120.200 -0.639 0.000 2.171 332 E HA -0.214 3.766 4.350 -0.617 0.000 0.197 332 E C 1.566 178.016 176.600 -0.252 0.000 0.997 332 E CA 1.310 57.483 56.400 -0.378 0.000 0.810 332 E CB 0.036 29.709 29.700 -0.045 0.000 0.738 332 E HN 0.547 nan 8.360 nan 0.000 0.467 333 S N -0.040 115.522 115.700 -0.230 0.000 2.496 333 S HA -0.049 4.051 4.470 -0.617 0.000 0.224 333 S C 1.881 176.396 174.600 -0.142 0.000 0.996 333 S CA 1.132 59.248 58.200 -0.139 0.000 0.927 333 S CB 0.031 63.168 63.200 -0.105 0.000 0.774 333 S HN 0.327 nan 8.310 nan 0.000 0.524 334 T N -4.591 109.825 114.554 -0.230 0.000 3.016 334 T HA 0.547 4.526 4.350 -0.617 0.000 0.271 334 T C 1.533 176.118 174.700 -0.192 0.000 0.968 334 T CA 0.604 62.601 62.100 -0.172 0.000 0.891 334 T CB 0.112 68.884 68.868 -0.161 0.000 1.149 334 T HN 1.092 nan 8.240 nan 0.000 0.524 335 G N 2.516 111.100 108.800 -0.360 0.000 2.184 335 G HA2 -0.285 3.305 3.960 -0.617 0.000 0.264 335 G HA3 -0.285 3.305 3.960 -0.617 0.000 0.264 335 G C 0.300 174.958 174.900 -0.402 0.000 0.975 335 G CA 0.159 45.117 45.100 -0.238 0.000 0.642 335 G HN 0.725 nan 8.290 nan 0.000 0.536 336 R N -1.108 119.013 120.500 -0.631 0.000 2.707 336 R HA 0.413 4.383 4.340 -0.617 0.000 0.270 336 R C -0.583 175.119 176.300 -0.996 0.000 1.083 336 R CA -0.025 55.465 56.100 -1.017 0.000 1.182 336 R CB 0.481 30.396 30.300 -0.643 0.000 1.084 336 R HN 0.216 nan 8.270 nan 0.000 0.528 337 W N 1.681 122.478 121.300 -0.839 0.000 2.318 337 W HA 0.423 4.714 4.660 -0.616 0.000 0.315 337 W C -0.294 176.143 176.519 -0.138 0.000 1.033 337 W CA -0.320 56.872 57.345 -0.255 0.000 1.275 337 W CB 0.785 30.226 29.460 -0.032 0.000 1.250 337 W HN 0.305 nan 8.180 nan 0.000 0.421 338 I N 3.766 124.327 120.570 -0.016 0.000 2.392 338 I HA 0.378 4.177 4.170 -0.617 0.000 0.295 338 I C 0.467 176.615 176.117 0.051 0.000 0.985 338 I CA -0.626 60.677 61.300 0.006 0.000 1.221 338 I CB 1.316 39.271 38.000 -0.074 0.000 1.366 338 I HN 0.323 nan 8.210 nan 0.000 0.467 339 S N 3.631 119.361 115.700 0.050 0.000 2.537 339 S HA 0.810 4.910 4.470 -0.617 0.000 0.301 339 S C -0.440 174.166 174.600 0.009 0.000 1.092 339 S CA -0.681 57.541 58.200 0.036 0.000 1.048 339 S CB 1.819 65.041 63.200 0.036 0.000 1.053 339 S HN 0.669 nan 8.310 nan 0.000 0.501 340 S N 0.706 116.407 115.700 0.002 0.000 2.549 340 S HA 0.488 4.588 4.470 -0.617 0.000 0.280 340 S C 0.559 175.143 174.600 -0.027 0.000 1.109 340 S CA -0.830 57.363 58.200 -0.012 0.000 0.905 340 S CB 1.082 64.277 63.200 -0.009 0.000 1.081 340 S HN 0.541 nan 8.310 nan 0.000 0.477 341 V N 1.674 121.567 119.914 -0.034 0.000 2.568 341 V HA -0.163 3.586 4.120 -0.617 0.000 0.253 341 V C 2.708 178.758 176.094 -0.075 0.000 1.072 341 V CA 2.468 64.737 62.300 -0.050 0.000 1.084 341 V CB -1.361 30.438 31.823 -0.041 0.000 0.676 341 V HN 1.025 nan 8.190 nan 0.000 0.469 342 A N -0.556 122.229 122.820 -0.058 0.000 2.067 342 A HA -0.075 3.874 4.320 -0.617 0.000 0.217 342 A C 2.237 179.764 177.584 -0.096 0.000 1.156 342 A CA 0.925 52.922 52.037 -0.066 0.000 0.683 342 A CB -0.327 18.657 19.000 -0.026 0.000 0.808 342 A HN 0.467 nan 8.150 nan 0.000 0.455 343 R N -0.338 120.124 120.500 -0.064 0.000 2.388 343 R HA 0.174 4.144 4.340 -0.617 0.000 0.247 343 R C -0.247 175.997 176.300 -0.093 0.000 0.931 343 R CA 0.034 56.133 56.100 -0.002 0.000 1.082 343 R CB 0.138 30.477 30.300 0.065 0.000 1.135 343 R HN 0.588 nan 8.270 nan 0.000 0.525 344 Q N -0.321 119.318 119.800 -0.269 0.000 2.274 344 Q HA 0.262 4.232 4.340 -0.617 0.000 0.260 344 Q C -1.192 174.502 176.000 -0.509 0.000 0.974 344 Q CA -0.569 55.099 55.803 -0.225 0.000 0.876 344 Q CB 1.911 30.588 28.738 -0.100 0.000 1.297 344 Q HN 0.235 nan 8.270 nan 0.000 0.446 345 H N 0.986 120.048 119.070 -0.013 0.000 2.823 345 H HA 0.401 4.587 4.556 -0.617 0.000 0.332 345 H C -0.647 174.635 175.328 -0.076 0.000 0.980 345 H CA -0.416 55.614 56.048 -0.030 0.000 1.286 345 H CB 0.967 30.674 29.762 -0.091 0.000 1.541 345 H HN 0.432 nan 8.280 nan 0.000 0.521 346 I N 1.775 122.347 120.570 0.003 0.000 2.713 346 I HA 0.274 4.074 4.170 -0.617 0.000 0.300 346 I C 0.231 176.281 176.117 -0.111 0.000 1.009 346 I CA -0.199 61.017 61.300 -0.141 0.000 1.305 346 I CB 1.265 39.139 38.000 -0.210 0.000 1.430 346 I HN 0.616 nan 8.210 nan 0.000 0.546 347 E N 5.803 125.870 120.200 -0.221 0.000 2.313 347 E HA 0.460 4.440 4.350 -0.617 0.000 0.280 347 E C -1.564 174.927 176.600 -0.182 0.000 0.898 347 E CA -0.449 55.881 56.400 -0.117 0.000 0.803 347 E CB 2.001 31.676 29.700 -0.043 0.000 1.286 347 E HN 0.621 nan 8.360 nan 0.000 0.401 348 I N 0.163 120.659 120.570 -0.123 0.000 3.294 348 I HA 0.786 4.585 4.170 -0.617 0.000 0.311 348 I C -1.106 174.993 176.117 -0.029 0.000 1.111 348 I CA -0.747 60.503 61.300 -0.083 0.000 0.976 348 I CB 2.424 40.390 38.000 -0.056 0.000 1.260 348 I HN 0.330 nan 8.210 nan 0.000 0.474 349 S N 0.063 115.754 115.700 -0.016 0.000 2.619 349 S HA 0.449 4.549 4.470 -0.617 0.000 0.280 349 S C 0.184 174.761 174.600 -0.037 0.000 1.150 349 S CA 0.032 58.209 58.200 -0.038 0.000 0.978 349 S CB 1.393 64.535 63.200 -0.096 0.000 1.041 349 S HN 0.882 nan 8.310 nan 0.000 0.485 350 T N 0.287 114.823 114.554 -0.030 0.000 3.037 350 T HA 0.036 4.016 4.350 -0.617 0.000 0.252 350 T C 1.657 176.332 174.700 -0.041 0.000 1.073 350 T CA 0.998 63.084 62.100 -0.023 0.000 1.091 350 T CB -0.458 68.404 68.868 -0.010 0.000 0.935 350 T HN 0.674 nan 8.240 nan 0.000 0.488 351 T N -1.660 112.866 114.554 -0.046 0.000 3.051 351 T HA 0.569 4.548 4.350 -0.617 0.000 0.255 351 T C 1.331 175.890 174.700 -0.235 0.000 1.085 351 T CA 0.482 62.560 62.100 -0.037 0.000 1.109 351 T CB 0.236 69.158 68.868 0.089 0.000 0.921 351 T HN 0.565 nan 8.240 nan 0.000 0.488 352 G N 0.533 109.013 108.800 -0.532 0.000 3.453 352 G HA2 0.491 4.081 3.960 -0.617 0.000 0.165 352 G HA3 0.491 4.081 3.960 -0.617 0.000 0.165 352 G C -1.633 173.019 174.900 -0.414 0.000 1.220 352 G CA -0.382 44.201 45.100 -0.862 0.000 1.305 352 G HN 0.562 nan 8.290 nan 0.000 0.695 353 W N -0.118 120.868 121.300 -0.524 0.000 2.929 353 W HA 0.812 5.104 4.660 -0.614 0.000 0.345 353 W C -0.767 175.689 176.519 -0.105 0.000 1.151 353 W CA -1.425 55.775 57.345 -0.241 0.000 1.111 353 W CB 1.197 30.499 29.460 -0.262 0.000 1.449 353 W HN 0.282 nan 8.180 nan 0.000 0.572 354 V N 3.487 123.463 119.914 0.103 0.000 2.498 354 V HA 0.643 4.392 4.120 -0.617 0.000 0.279 354 V C 0.949 177.121 176.094 0.131 0.000 1.048 354 V CA 0.853 63.186 62.300 0.055 0.000 0.967 354 V CB 0.056 31.923 31.823 0.073 0.000 0.988 354 V HN 1.335 nan 8.190 nan 0.000 0.473 355 G N 5.513 114.343 108.800 0.051 0.000 2.750 355 G HA2 -0.229 3.361 3.960 -0.617 0.000 0.228 355 G HA3 -0.229 3.361 3.960 -0.617 0.000 0.228 355 G C 0.468 175.457 174.900 0.148 0.000 1.367 355 G CA 0.471 45.628 45.100 0.095 0.000 0.871 355 G HN 0.648 nan 8.290 nan 0.000 0.560 356 R N -1.411 119.182 120.500 0.154 0.000 2.048 356 R HA 0.252 4.221 4.340 -0.617 0.000 0.224 356 R C 2.107 178.390 176.300 -0.029 0.000 1.163 356 R CA 1.888 58.039 56.100 0.086 0.000 0.956 356 R CB -0.091 30.253 30.300 0.073 0.000 0.849 356 R HN 0.420 nan 8.270 nan 0.000 0.435 357 F N -0.174 119.929 119.950 0.255 0.000 2.767 357 F HA 0.291 4.448 4.527 -0.617 0.000 0.323 357 F C 0.354 176.224 175.800 0.117 0.000 1.091 357 F CA -0.395 57.711 58.000 0.177 0.000 1.192 357 F CB 0.761 39.873 39.000 0.188 0.000 1.056 357 F HN -0.055 nan 8.300 nan 0.000 0.571 358 R N -0.983 119.685 120.500 0.279 0.000 2.765 358 R HA 0.351 4.320 4.340 -0.617 0.000 0.277 358 R C -3.407 173.001 176.300 0.180 0.000 1.028 358 R CA -1.715 54.502 56.100 0.196 0.000 0.860 358 R CB 0.338 30.747 30.300 0.181 0.000 1.270 358 R HN -0.365 nan 8.270 nan 0.000 0.484 359 P HA 0.078 nan 4.420 nan 0.000 0.269 359 P C -0.308 177.055 177.300 0.106 0.000 1.209 359 P CA 0.008 63.172 63.100 0.106 0.000 0.776 359 P CB 0.626 32.368 31.700 0.071 0.000 0.876 360 A N 3.082 125.966 122.820 0.107 0.000 2.425 360 A HA 0.140 4.090 4.320 -0.617 0.000 0.242 360 A C 0.548 178.186 177.584 0.090 0.000 1.077 360 A CA -0.226 51.888 52.037 0.127 0.000 0.781 360 A CB -0.130 18.955 19.000 0.141 0.000 1.020 360 A HN 0.512 nan 8.150 nan 0.000 0.494 361 E N 1.873 122.142 120.200 0.115 0.000 2.313 361 E HA 0.328 4.308 4.350 -0.617 0.000 0.272 361 E C -2.461 174.155 176.600 0.026 0.000 1.038 361 E CA -1.725 54.688 56.400 0.023 0.000 0.863 361 E CB 0.640 30.335 29.700 -0.007 0.000 1.060 361 E HN 0.463 nan 8.360 nan 0.000 0.402 362 P HA 0.123 nan 4.420 nan 0.000 0.280 362 P C -0.663 176.507 177.300 -0.217 0.000 1.244 362 P CA -0.005 62.938 63.100 -0.262 0.000 0.784 362 P CB 0.728 31.901 31.700 -0.878 0.000 0.913 363 H N 3.001 122.073 119.070 0.003 0.000 2.673 363 H HA 0.272 4.457 4.556 -0.617 0.000 0.293 363 H C -0.117 175.317 175.328 0.178 0.000 1.065 363 H CA -0.357 55.781 56.048 0.150 0.000 1.236 363 H CB 0.195 30.075 29.762 0.198 0.000 1.389 363 H HN 0.316 nan 8.280 nan 0.000 0.481 364 F N 1.704 121.806 119.950 0.253 0.000 2.389 364 F HA 0.060 4.216 4.527 -0.618 0.000 0.337 364 F C 1.609 177.576 175.800 0.278 0.000 1.112 364 F CA -0.481 57.681 58.000 0.269 0.000 1.192 364 F CB 0.927 40.014 39.000 0.145 0.000 1.185 364 F HN 0.353 nan 8.300 nan 0.000 0.552 365 T N -1.652 113.186 114.554 0.474 0.000 2.813 365 T HA 0.064 4.044 4.350 -0.617 0.000 0.297 365 T C 1.330 176.207 174.700 0.296 0.000 1.036 365 T CA -0.309 62.004 62.100 0.356 0.000 1.044 365 T CB 1.241 70.297 68.868 0.314 0.000 0.993 365 T HN 0.615 nan 8.240 nan 0.000 0.535 366 S N 0.846 116.681 115.700 0.225 0.000 2.380 366 S HA -0.204 3.895 4.470 -0.617 0.000 0.229 366 S C 1.711 176.411 174.600 0.167 0.000 1.043 366 S CA 2.002 60.310 58.200 0.181 0.000 1.038 366 S CB -0.885 62.402 63.200 0.144 0.000 0.872 366 S HN 0.938 nan 8.310 nan 0.000 0.456 367 D N -1.067 119.433 120.400 0.167 0.000 2.348 367 D HA 0.124 4.394 4.640 -0.617 0.000 0.211 367 D C 1.382 177.779 176.300 0.161 0.000 0.998 367 D CA 1.017 55.105 54.000 0.146 0.000 0.873 367 D CB -0.611 40.266 40.800 0.128 0.000 0.925 367 D HN 0.584 nan 8.370 nan 0.000 0.524 368 G N 1.238 110.169 108.800 0.219 0.000 2.162 368 G HA2 -0.360 3.229 3.960 -0.617 0.000 0.260 368 G HA3 -0.360 3.229 3.960 -0.617 0.000 0.260 368 G C 0.740 175.819 174.900 0.298 0.000 0.976 368 G CA 0.416 45.669 45.100 0.255 0.000 0.655 368 G HN 0.490 nan 8.290 nan 0.000 0.533 369 N N -0.070 118.777 118.700 0.245 0.000 2.463 369 N HA 0.246 4.616 4.740 -0.617 0.000 0.181 369 N C 0.978 176.609 175.510 0.202 0.000 1.078 369 N CA 0.720 53.892 53.050 0.202 0.000 0.902 369 N CB 0.131 38.701 38.487 0.139 0.000 0.970 369 N HN 0.694 nan 8.380 nan 0.000 0.451 370 S N -0.293 115.552 115.700 0.242 0.000 2.625 370 S HA 0.675 4.774 4.470 -0.617 0.000 0.271 370 S C -1.238 173.435 174.600 0.121 0.000 1.161 370 S CA -1.064 57.186 58.200 0.083 0.000 0.820 370 S CB 1.516 64.705 63.200 -0.018 0.000 1.137 370 S HN 0.164 nan 8.310 nan 0.000 0.470 371 F N -1.709 118.054 119.950 -0.310 0.000 2.668 371 F HA 0.824 4.980 4.527 -0.617 0.000 0.309 371 F C -2.287 173.268 175.800 -0.408 0.000 1.117 371 F CA -1.471 56.255 58.000 -0.457 0.000 0.951 371 F CB 0.655 38.918 39.000 -1.227 0.000 1.323 371 F HN 0.610 nan 8.300 nan 0.000 0.451 372 Y N 1.571 121.974 120.300 0.171 0.000 2.377 372 Y HA 0.676 4.856 4.550 -0.617 0.000 0.339 372 Y C -0.219 175.830 175.900 0.248 0.000 1.011 372 Y CA -0.797 57.386 58.100 0.138 0.000 1.093 372 Y CB 2.131 40.633 38.460 0.070 0.000 1.201 372 Y HN 0.794 nan 8.280 nan 0.000 0.455 373 K N 2.792 123.403 120.400 0.352 0.000 2.527 373 K HA 0.588 4.538 4.320 -0.617 0.000 0.260 373 K C -1.847 174.893 176.600 0.233 0.000 0.937 373 K CA -0.621 55.850 56.287 0.307 0.000 0.826 373 K CB 1.705 34.386 32.500 0.301 0.000 1.359 373 K HN 0.732 nan 8.250 nan 0.000 0.434 374 I N 5.650 126.329 120.570 0.183 0.000 2.371 374 I HA 0.323 4.123 4.170 -0.617 0.000 0.290 374 I C 0.174 176.386 176.117 0.158 0.000 1.028 374 I CA -0.459 60.928 61.300 0.145 0.000 1.345 374 I CB 0.667 38.726 38.000 0.098 0.000 1.407 374 I HN 0.529 nan 8.210 nan 0.000 0.501 375 I N 1.287 121.977 120.570 0.200 0.000 3.191 375 I HA 0.509 4.309 4.170 -0.617 0.000 0.313 375 I C -0.566 175.661 176.117 0.185 0.000 1.193 375 I CA -0.794 60.619 61.300 0.187 0.000 0.968 375 I CB 2.198 40.334 38.000 0.227 0.000 1.262 375 I HN 0.244 nan 8.210 nan 0.000 0.456 376 S N 2.495 118.252 115.700 0.095 0.000 2.565 376 S HA 0.260 4.360 4.470 -0.617 0.000 0.276 376 S C 0.141 174.771 174.600 0.049 0.000 1.326 376 S CA -0.364 57.838 58.200 0.003 0.000 1.045 376 S CB 0.248 63.398 63.200 -0.082 0.000 0.918 376 S HN 0.589 nan 8.310 nan 0.000 0.505 377 N N 1.638 120.262 118.700 -0.125 0.000 2.255 377 N HA 0.091 4.460 4.740 -0.617 0.000 0.253 377 N C 1.082 176.510 175.510 -0.136 0.000 1.313 377 N CA -0.164 52.705 53.050 -0.301 0.000 0.912 377 N CB 0.224 38.531 38.487 -0.300 0.000 1.145 377 N HN 0.511 nan 8.380 nan 0.000 0.511 378 E N 0.470 120.582 120.200 -0.147 0.000 2.152 378 E HA -0.058 3.922 4.350 -0.617 0.000 0.192 378 E C 0.754 177.306 176.600 -0.079 0.000 0.983 378 E CA 1.101 57.457 56.400 -0.073 0.000 0.818 378 E CB 0.016 29.678 29.700 -0.063 0.000 0.758 378 E HN 0.583 nan 8.360 nan 0.000 0.467 379 E N -0.752 119.397 120.200 -0.085 0.000 2.489 379 E HA 0.145 4.124 4.350 -0.617 0.000 0.193 379 E C 0.707 177.233 176.600 -0.123 0.000 1.057 379 E CA 0.374 56.751 56.400 -0.037 0.000 0.866 379 E CB 0.412 30.158 29.700 0.076 0.000 0.916 379 E HN 0.316 nan 8.360 nan 0.000 0.500 380 G N 0.958 109.648 108.800 -0.184 0.000 2.157 380 G HA2 -0.277 3.313 3.960 -0.617 0.000 0.239 380 G HA3 -0.277 3.313 3.960 -0.617 0.000 0.239 380 G C -0.320 174.300 174.900 -0.468 0.000 0.982 380 G CA -0.243 44.653 45.100 -0.341 0.000 0.650 380 G HN 0.239 nan 8.290 nan 0.000 0.527 381 Y N 1.067 121.237 120.300 -0.216 0.000 2.320 381 Y HA 0.549 4.729 4.550 -0.617 0.000 0.334 381 Y C 0.813 176.534 175.900 -0.298 0.000 1.055 381 Y CA -0.965 56.986 58.100 -0.248 0.000 1.143 381 Y CB 1.080 39.406 38.460 -0.223 0.000 1.193 381 Y HN -0.162 nan 8.280 nan 0.000 0.477 382 K N 4.774 125.042 120.400 -0.221 0.000 2.382 382 K HA 0.127 4.077 4.320 -0.617 0.000 0.286 382 K C -0.525 175.779 176.600 -0.493 0.000 1.062 382 K CA 0.289 56.438 56.287 -0.231 0.000 1.000 382 K CB -0.210 32.202 32.500 -0.146 0.000 0.954 382 K HN 0.716 nan 8.250 nan 0.000 0.470 383 H N 1.308 120.324 119.070 -0.091 0.000 2.946 383 H HA 0.388 4.574 4.556 -0.617 0.000 0.365 383 H C 0.094 175.459 175.328 0.062 0.000 1.197 383 H CA -0.948 55.019 56.048 -0.136 0.000 1.131 383 H CB 1.657 31.207 29.762 -0.353 0.000 1.849 383 H HN 0.339 nan 8.280 nan 0.000 0.555 384 I N 1.519 122.150 120.570 0.103 0.000 2.452 384 I HA 0.003 3.802 4.170 -0.617 0.000 0.287 384 I C 0.494 176.674 176.117 0.105 0.000 1.079 384 I CA 0.252 61.591 61.300 0.065 0.000 1.387 384 I CB 0.231 38.168 38.000 -0.105 0.000 1.404 384 I HN 0.163 nan 8.210 nan 0.000 0.522 385 c N 6.804 125.415 118.600 0.019 0.000 2.435 385 c HA 0.346 4.546 4.570 -0.617 0.000 0.333 385 c C 0.040 173.997 174.090 -0.220 0.000 1.202 385 c CA -0.421 55.706 56.329 -0.336 0.000 1.830 385 c CB 0.897 42.928 42.510 -0.798 0.000 2.326 385 c HN 0.750 nan 8.230 nan 0.000 0.507 386 H N 3.294 122.058 119.070 -0.509 0.000 2.517 386 H HA 0.514 4.700 4.556 -0.617 0.000 0.317 386 H C -1.332 173.518 175.328 -0.796 0.000 1.080 386 H CA -0.274 55.400 56.048 -0.622 0.000 1.301 386 H CB 0.601 30.125 29.762 -0.397 0.000 1.425 386 H HN 0.588 nan 8.280 nan 0.000 0.471 387 F N 2.266 121.518 119.950 -1.163 0.000 2.538 387 F HA 0.235 4.392 4.527 -0.617 0.000 0.325 387 F C 0.035 175.182 175.800 -1.088 0.000 1.066 387 F CA -0.853 56.408 58.000 -1.232 0.000 0.946 387 F CB 1.907 39.744 39.000 -1.938 0.000 1.199 387 F HN 0.458 nan 8.300 nan 0.000 0.473 388 Q N 1.081 120.618 119.800 -0.439 0.000 2.241 388 Q HA 0.225 4.194 4.340 -0.617 0.000 0.254 388 Q C 0.851 176.874 176.000 0.038 0.000 0.917 388 Q CA -0.081 55.585 55.803 -0.227 0.000 0.919 388 Q CB 1.775 30.429 28.738 -0.140 0.000 1.237 388 Q HN 0.762 nan 8.270 nan 0.000 0.434 389 T N 1.285 115.935 114.554 0.161 0.000 2.737 389 T HA -0.188 3.791 4.350 -0.617 0.000 0.269 389 T C 0.605 175.549 174.700 0.408 0.000 1.040 389 T CA 2.061 64.395 62.100 0.389 0.000 1.142 389 T CB -0.038 69.057 68.868 0.377 0.000 0.861 389 T HN 0.627 nan 8.240 nan 0.000 0.456 390 D N -0.191 120.342 120.400 0.222 0.000 2.559 390 D HA 0.174 4.444 4.640 -0.617 0.000 0.234 390 D C 0.066 176.414 176.300 0.079 0.000 1.226 390 D CA -0.342 53.738 54.000 0.133 0.000 0.830 390 D CB 0.238 41.085 40.800 0.079 0.000 1.028 390 D HN 0.010 nan 8.370 nan 0.000 0.492 391 K N -0.126 120.350 120.400 0.126 0.000 2.375 391 K HA 0.338 4.288 4.320 -0.617 0.000 0.249 391 K C 0.735 177.407 176.600 0.119 0.000 0.942 391 K CA -0.494 55.826 56.287 0.055 0.000 0.806 391 K CB 2.042 34.537 32.500 -0.008 0.000 1.227 391 K HN 0.035 nan 8.250 nan 0.000 0.430 392 S N 0.780 116.509 115.700 0.048 0.000 2.388 392 S HA -0.004 4.096 4.470 -0.617 0.000 0.223 392 S C 0.587 175.224 174.600 0.061 0.000 1.034 392 S CA 0.347 58.603 58.200 0.094 0.000 0.963 392 S CB -0.268 62.941 63.200 0.016 0.000 0.827 392 S HN 0.546 nan 8.310 nan 0.000 0.481 393 N N 1.830 120.495 118.700 -0.059 0.000 2.492 393 N HA 0.359 4.729 4.740 -0.617 0.000 0.262 393 N C -0.126 175.163 175.510 -0.368 0.000 1.202 393 N CA 0.274 53.220 53.050 -0.174 0.000 0.926 393 N CB 0.701 39.101 38.487 -0.144 0.000 1.078 393 N HN 0.695 nan 8.380 nan 0.000 0.454 394 c N -0.438 117.793 118.600 -0.614 0.000 2.719 394 c HA 0.816 5.015 4.570 -0.617 0.000 0.327 394 c C -0.217 173.450 174.090 -0.705 0.000 1.238 394 c CA -0.766 54.969 56.329 -0.989 0.000 1.727 394 c CB 1.299 42.557 42.510 -2.086 0.000 2.256 394 c HN 0.564 nan 8.230 nan 0.000 0.489 395 T N 2.081 116.270 114.554 -0.609 0.000 2.812 395 T HA 0.514 4.494 4.350 -0.617 0.000 0.282 395 T C -0.764 173.711 174.700 -0.375 0.000 0.990 395 T CA 0.108 61.996 62.100 -0.354 0.000 0.960 395 T CB 0.501 69.316 68.868 -0.088 0.000 0.948 395 T HN 0.496 nan 8.240 nan 0.000 0.438 396 F N 3.133 122.963 119.950 -0.200 0.000 2.484 396 F HA 0.270 4.427 4.527 -0.617 0.000 0.360 396 F C 1.633 177.250 175.800 -0.306 0.000 1.101 396 F CA -0.843 57.019 58.000 -0.229 0.000 1.251 396 F CB 0.426 39.297 39.000 -0.214 0.000 1.132 396 F HN 0.576 nan 8.300 nan 0.000 0.570 397 I N -0.867 119.557 120.570 -0.244 0.000 4.057 397 I HA 0.257 4.057 4.170 -0.617 0.000 0.334 397 I C 0.127 176.047 176.117 -0.328 0.000 1.308 397 I CA 0.068 60.983 61.300 -0.640 0.000 1.125 397 I CB 0.167 37.461 38.000 -1.177 0.000 1.034 397 I HN 0.496 nan 8.210 nan 0.000 0.401 398 T N 0.114 114.533 114.554 -0.225 0.000 2.903 398 T HA 0.715 4.695 4.350 -0.617 0.000 0.299 398 T C -0.767 173.529 174.700 -0.673 0.000 1.093 398 T CA -0.640 61.309 62.100 -0.251 0.000 1.002 398 T CB 2.814 71.596 68.868 -0.143 0.000 1.127 398 T HN 0.348 nan 8.240 nan 0.000 0.488 399 K N 0.122 119.938 120.400 -0.973 0.000 2.607 399 K HA 0.793 4.743 4.320 -0.617 0.000 0.287 399 K C -0.451 175.424 176.600 -1.208 0.000 0.996 399 K CA -0.479 54.873 56.287 -1.559 0.000 0.876 399 K CB 1.333 33.371 32.500 -0.769 0.000 1.496 399 K HN 1.848 nan 8.250 nan 0.000 0.415 400 G N -0.872 107.276 108.800 -1.088 0.000 2.347 400 G HA2 0.406 3.996 3.960 -0.617 0.000 0.321 400 G HA3 0.406 3.996 3.960 -0.617 0.000 0.321 400 G C -1.305 173.012 174.900 -0.972 0.000 1.412 400 G CA -0.286 44.353 45.100 -0.769 0.000 0.990 400 G HN 0.945 nan 8.290 nan 0.000 0.637 401 A N 1.094 123.508 122.820 -0.678 0.000 3.077 401 A HA 0.632 4.582 4.320 -0.617 0.000 0.255 401 A C 0.330 177.625 177.584 -0.481 0.000 1.728 401 A CA 0.672 52.090 52.037 -1.032 0.000 1.383 401 A CB -1.222 17.530 19.000 -0.414 0.000 1.097 401 A HN 1.715 nan 8.150 nan 0.000 0.634 402 W N -1.116 119.915 121.300 -0.448 0.000 2.826 402 W HA 0.630 4.920 4.660 -0.618 0.000 0.410 402 W C -1.160 175.330 176.519 -0.049 0.000 1.128 402 W CA -0.747 56.550 57.345 -0.079 0.000 1.176 402 W CB 0.323 29.755 29.460 -0.046 0.000 1.475 402 W HN 0.226 nan 8.180 nan 0.000 0.588 403 E N 0.619 121.016 120.200 0.328 0.000 2.367 403 E HA 0.455 4.435 4.350 -0.617 0.000 0.273 403 E C -1.307 175.411 176.600 0.196 0.000 0.903 403 E CA -1.128 55.267 56.400 -0.010 0.000 0.764 403 E CB 3.395 33.126 29.700 0.051 0.000 1.252 403 E HN 0.151 nan 8.360 nan 0.000 0.446 404 V N 3.533 123.426 119.914 -0.035 0.000 2.498 404 V HA 0.032 3.782 4.120 -0.617 0.000 0.279 404 V C 1.138 177.325 176.094 0.156 0.000 1.048 404 V CA -0.082 62.294 62.300 0.126 0.000 0.967 404 V CB 0.732 32.523 31.823 -0.054 0.000 0.988 404 V HN 0.675 nan 8.190 nan 0.000 0.473 405 I N 3.073 123.775 120.570 0.221 0.000 2.400 405 I HA 0.260 4.060 4.170 -0.617 0.000 0.248 405 I C 1.110 177.354 176.117 0.211 0.000 1.109 405 I CA 1.208 62.645 61.300 0.228 0.000 1.425 405 I CB -0.891 37.209 38.000 0.166 0.000 1.094 405 I HN 0.751 nan 8.210 nan 0.000 0.425 406 G N 0.559 109.477 108.800 0.196 0.000 2.547 406 G HA2 0.529 4.119 3.960 -0.617 0.000 0.291 406 G HA3 0.529 4.119 3.960 -0.617 0.000 0.291 406 G C -1.327 173.649 174.900 0.127 0.000 1.471 406 G CA -0.615 44.583 45.100 0.163 0.000 0.798 406 G HN -0.034 nan 8.290 nan 0.000 0.504 407 I N 1.503 122.058 120.570 -0.024 0.000 2.312 407 I HA 0.242 4.041 4.170 -0.617 0.000 0.291 407 I C 0.836 176.883 176.117 -0.116 0.000 1.031 407 I CA -0.504 60.690 61.300 -0.177 0.000 1.293 407 I CB 1.763 39.368 38.000 -0.657 0.000 1.403 407 I HN 0.529 nan 8.210 nan 0.000 0.484 408 E N 4.845 125.054 120.200 0.014 0.000 2.276 408 E HA 0.249 4.229 4.350 -0.617 0.000 0.193 408 E C 0.240 176.785 176.600 -0.092 0.000 0.983 408 E CA 0.236 56.672 56.400 0.059 0.000 0.861 408 E CB 0.853 30.659 29.700 0.176 0.000 0.817 408 E HN 0.734 nan 8.360 nan 0.000 0.485 409 A N 0.524 123.216 122.820 -0.213 0.000 2.608 409 A HA 0.580 4.530 4.320 -0.617 0.000 0.292 409 A C -2.010 175.539 177.584 -0.058 0.000 1.066 409 A CA -0.644 51.229 52.037 -0.274 0.000 0.676 409 A CB 1.331 19.737 19.000 -0.991 0.000 1.277 409 A HN 0.038 nan 8.150 nan 0.000 0.413 410 L N 1.172 122.407 121.223 0.021 0.000 2.470 410 L HA 0.816 4.785 4.340 -0.617 0.000 0.268 410 L C 0.083 177.014 176.870 0.102 0.000 0.964 410 L CA 0.569 55.448 54.840 0.066 0.000 0.839 410 L CB 2.138 44.265 42.059 0.112 0.000 1.276 410 L HN 1.302 nan 8.230 nan 0.000 0.403 411 T N -0.364 114.258 114.554 0.112 0.000 2.807 411 T HA 0.457 4.437 4.350 -0.617 0.000 0.277 411 T C 1.018 175.765 174.700 0.077 0.000 1.006 411 T CA 0.096 62.270 62.100 0.123 0.000 1.006 411 T CB 1.139 70.119 68.868 0.188 0.000 1.274 411 T HN 0.654 nan 8.240 nan 0.000 0.569 412 S N -0.034 115.705 115.700 0.065 0.000 2.402 412 S HA -0.101 3.999 4.470 -0.617 0.000 0.229 412 S C 1.068 175.637 174.600 -0.052 0.000 1.021 412 S CA 1.121 59.342 58.200 0.034 0.000 0.974 412 S CB -0.568 62.654 63.200 0.036 0.000 0.800 412 S HN 0.745 nan 8.310 nan 0.000 0.484 413 D N -0.235 120.090 120.400 -0.126 0.000 2.323 413 D HA 0.203 4.473 4.640 -0.617 0.000 0.218 413 D C -0.118 175.808 176.300 -0.624 0.000 0.973 413 D CA 0.717 54.465 54.000 -0.419 0.000 0.890 413 D CB 0.146 40.574 40.800 -0.621 0.000 1.011 413 D HN 0.452 nan 8.370 nan 0.000 0.499 414 Y N -0.248 119.994 120.300 -0.097 0.000 2.633 414 Y HA 0.491 4.670 4.550 -0.617 0.000 0.339 414 Y C -0.356 175.375 175.900 -0.283 0.000 1.045 414 Y CA -1.327 56.631 58.100 -0.237 0.000 1.098 414 Y CB 1.924 40.138 38.460 -0.410 0.000 1.296 414 Y HN -0.270 nan 8.280 nan 0.000 0.494 415 L N 2.076 123.177 121.223 -0.204 0.000 2.406 415 L HA 0.515 4.485 4.340 -0.617 0.000 0.272 415 L C -2.157 174.567 176.870 -0.243 0.000 0.980 415 L CA -1.286 53.422 54.840 -0.221 0.000 0.831 415 L CB 0.543 42.403 42.059 -0.332 0.000 1.253 415 L HN 0.621 nan 8.230 nan 0.000 0.406 416 Y N 5.968 126.190 120.300 -0.131 0.000 2.341 416 Y HA 0.614 4.794 4.550 -0.617 0.000 0.337 416 Y C -0.199 175.687 175.900 -0.023 0.000 1.014 416 Y CA -0.280 57.724 58.100 -0.161 0.000 1.111 416 Y CB 1.458 39.663 38.460 -0.426 0.000 1.194 416 Y HN 0.596 nan 8.280 nan 0.000 0.462 417 Y N 0.163 120.518 120.300 0.093 0.000 2.615 417 Y HA 0.826 5.005 4.550 -0.617 0.000 0.341 417 Y C -1.686 174.313 175.900 0.166 0.000 1.089 417 Y CA -2.021 56.132 58.100 0.088 0.000 1.049 417 Y CB 1.178 39.664 38.460 0.043 0.000 1.296 417 Y HN 0.408 nan 8.280 nan 0.000 0.470 418 I N 2.942 123.702 120.570 0.317 0.000 2.441 418 I HA 0.647 4.447 4.170 -0.617 0.000 0.295 418 I C -0.430 175.896 176.117 0.348 0.000 0.994 418 I CA -0.480 60.962 61.300 0.238 0.000 1.144 418 I CB 1.983 40.082 38.000 0.166 0.000 1.314 418 I HN 0.876 nan 8.210 nan 0.000 0.445 419 S N 3.102 118.977 115.700 0.292 0.000 2.638 419 S HA 0.392 4.492 4.470 -0.617 0.000 0.274 419 S C -0.589 174.090 174.600 0.132 0.000 1.157 419 S CA -0.920 57.436 58.200 0.260 0.000 0.826 419 S CB 1.681 65.070 63.200 0.316 0.000 1.139 419 S HN 0.642 nan 8.310 nan 0.000 0.474 420 N N -0.174 118.597 118.700 0.118 0.000 2.376 420 N HA 0.128 4.498 4.740 -0.617 0.000 0.249 420 N C 0.569 176.071 175.510 -0.013 0.000 1.140 420 N CA -0.175 52.897 53.050 0.036 0.000 0.870 420 N CB 0.229 38.731 38.487 0.025 0.000 1.124 420 N HN 0.849 nan 8.380 nan 0.000 0.505 421 E N 0.432 120.489 120.200 -0.238 0.000 2.031 421 E HA -0.243 3.737 4.350 -0.617 0.000 0.193 421 E C -0.092 176.344 176.600 -0.274 0.000 0.994 421 E CA 0.475 56.465 56.400 -0.684 0.000 0.800 421 E CB -0.247 28.432 29.700 -1.702 0.000 0.752 421 E HN 0.499 nan 8.360 nan 0.000 0.447 422 H N 0.997 119.975 119.070 -0.153 0.000 3.195 422 H HA -0.084 4.101 4.556 -0.617 0.000 0.302 422 H C 0.057 175.356 175.328 -0.048 0.000 0.950 422 H CA 1.179 57.189 56.048 -0.063 0.000 1.398 422 H CB 0.204 29.958 29.762 -0.013 0.000 1.377 422 H HN 0.132 nan 8.280 nan 0.000 0.572 423 K N 3.085 123.202 120.400 -0.472 0.000 3.274 423 K HA -0.195 3.755 4.320 -0.617 0.000 0.305 423 K C 1.111 177.671 176.600 -0.067 0.000 1.225 423 K CA 1.346 57.455 56.287 -0.297 0.000 0.904 423 K CB -1.652 30.663 32.500 -0.308 0.000 1.227 423 K HN 1.102 nan 8.250 nan 0.000 0.453 424 G N 0.213 108.986 108.800 -0.046 0.000 2.187 424 G HA2 -0.362 3.227 3.960 -0.617 0.000 0.261 424 G HA3 -0.362 3.227 3.960 -0.617 0.000 0.261 424 G C 0.082 175.045 174.900 0.104 0.000 1.000 424 G CA 0.899 46.039 45.100 0.067 0.000 0.718 424 G HN 0.521 nan 8.290 nan 0.000 0.519 425 M N -0.860 118.713 119.600 -0.046 0.000 2.063 425 M HA 0.467 4.576 4.480 -0.617 0.000 0.348 425 M C -1.328 174.760 176.300 -0.353 0.000 1.180 425 M CA -2.166 52.922 55.300 -0.353 0.000 1.059 425 M CB 1.712 34.057 32.600 -0.425 0.000 1.544 425 M HN -0.094 nan 8.290 nan 0.000 0.447 426 P HA -0.055 nan 4.420 nan 0.000 0.225 426 P C 1.077 178.243 177.300 -0.224 0.000 1.148 426 P CA 1.391 64.367 63.100 -0.206 0.000 0.779 426 P CB -0.025 31.615 31.700 -0.099 0.000 0.780 427 G N -0.519 108.069 108.800 -0.354 0.000 3.383 427 G HA2 0.345 3.935 3.960 -0.617 0.000 0.251 427 G HA3 0.345 3.935 3.960 -0.617 0.000 0.251 427 G C 0.568 175.445 174.900 -0.039 0.000 1.203 427 G CA 0.005 45.014 45.100 -0.153 0.000 0.852 427 G HN 0.418 nan 8.290 nan 0.000 0.531 428 G N -0.153 108.566 108.800 -0.134 0.000 2.473 428 G HA2 0.689 4.279 3.960 -0.617 0.000 0.321 428 G HA3 0.689 4.279 3.960 -0.617 0.000 0.321 428 G C -0.907 173.850 174.900 -0.238 0.000 1.200 428 G CA -0.807 44.239 45.100 -0.091 0.000 0.963 428 G HN 0.113 nan 8.290 nan 0.000 0.483 429 R N 0.954 121.289 120.500 -0.276 0.000 2.584 429 R HA 0.453 4.423 4.340 -0.617 0.000 0.276 429 R C -1.355 174.932 176.300 -0.021 0.000 1.046 429 R CA -0.843 55.104 56.100 -0.254 0.000 0.906 429 R CB 2.272 32.217 30.300 -0.591 0.000 1.215 429 R HN 0.609 nan 8.270 nan 0.000 0.449 430 N N 1.250 119.957 118.700 0.013 0.000 2.416 430 N HA 0.352 4.722 4.740 -0.617 0.000 0.276 430 N C -1.379 174.020 175.510 -0.185 0.000 1.261 430 N CA -0.821 52.151 53.050 -0.130 0.000 0.790 430 N CB 2.608 40.901 38.487 -0.324 0.000 1.554 430 N HN 0.264 nan 8.380 nan 0.000 0.481 431 L N 1.785 122.751 121.223 -0.429 0.000 2.292 431 L HA 0.498 4.468 4.340 -0.617 0.000 0.284 431 L C -1.445 175.056 176.870 -0.615 0.000 1.065 431 L CA -0.017 54.606 54.840 -0.362 0.000 0.806 431 L CB -0.002 41.841 42.059 -0.360 0.000 1.175 431 L HN 0.412 nan 8.230 nan 0.000 0.431 432 Y N 4.011 123.975 120.300 -0.560 0.000 2.536 432 Y HA 0.654 4.834 4.550 -0.617 0.000 0.347 432 Y C -0.249 175.308 175.900 -0.571 0.000 1.000 432 Y CA -0.801 56.900 58.100 -0.665 0.000 1.051 432 Y CB 1.698 39.513 38.460 -1.076 0.000 1.259 432 Y HN 0.513 nan 8.280 nan 0.000 0.468 433 R N 2.987 123.333 120.500 -0.257 0.000 2.513 433 R HA 0.677 4.647 4.340 -0.617 0.000 0.301 433 R C -1.914 174.304 176.300 -0.137 0.000 0.968 433 R CA -0.636 55.226 56.100 -0.396 0.000 0.872 433 R CB 1.464 31.400 30.300 -0.607 0.000 1.177 433 R HN 0.889 nan 8.270 nan 0.000 0.444 434 I N 2.539 123.088 120.570 -0.035 0.000 2.530 434 I HA 0.278 4.078 4.170 -0.617 0.000 0.297 434 I C -0.657 175.528 176.117 0.113 0.000 1.011 434 I CA -0.742 60.621 61.300 0.105 0.000 1.107 434 I CB 2.059 40.168 38.000 0.180 0.000 1.285 434 I HN 0.658 nan 8.210 nan 0.000 0.436 435 Q N 4.694 124.578 119.800 0.140 0.000 2.295 435 Q HA 0.152 4.122 4.340 -0.617 0.000 0.259 435 Q C 0.312 176.323 176.000 0.018 0.000 0.976 435 Q CA -0.558 55.267 55.803 0.038 0.000 0.923 435 Q CB 1.375 30.126 28.738 0.022 0.000 1.185 435 Q HN 0.714 nan 8.270 nan 0.000 0.410 436 L N 3.596 124.764 121.223 -0.092 0.000 2.083 436 L HA -0.208 3.762 4.340 -0.617 0.000 0.209 436 L C 1.659 178.490 176.870 -0.065 0.000 1.083 436 L CA 1.683 56.514 54.840 -0.016 0.000 0.752 436 L CB -0.738 41.264 42.059 -0.095 0.000 0.899 436 L HN 0.715 nan 8.230 nan 0.000 0.433 437 N N -1.655 116.958 118.700 -0.146 0.000 2.370 437 N HA -0.009 4.361 4.740 -0.617 0.000 0.198 437 N C -0.560 174.808 175.510 -0.236 0.000 1.156 437 N CA 0.225 53.164 53.050 -0.184 0.000 0.839 437 N CB -0.042 38.362 38.487 -0.138 0.000 0.989 437 N HN 0.202 nan 8.380 nan 0.000 0.468 438 D N -0.482 119.773 120.400 -0.241 0.000 2.349 438 D HA 0.022 4.291 4.640 -0.617 0.000 0.224 438 D C -0.768 175.509 176.300 -0.038 0.000 1.323 438 D CA -0.513 53.364 54.000 -0.204 0.000 0.917 438 D CB -0.384 40.358 40.800 -0.098 0.000 1.524 438 D HN -0.062 nan 8.370 nan 0.000 0.505 439 Y N 1.326 121.617 120.300 -0.014 0.000 2.688 439 Y HA 0.052 4.232 4.550 -0.617 0.000 0.311 439 Y C 2.206 178.115 175.900 0.015 0.000 1.185 439 Y CA 0.521 58.621 58.100 -0.001 0.000 1.336 439 Y CB -0.594 37.864 38.460 -0.003 0.000 1.015 439 Y HN 0.297 nan 8.280 nan 0.000 0.522 440 T N -0.926 113.704 114.554 0.127 0.000 3.035 440 T HA 0.011 3.991 4.350 -0.617 0.000 0.259 440 T C 0.762 175.512 174.700 0.083 0.000 1.078 440 T CA 0.385 62.537 62.100 0.086 0.000 1.132 440 T CB 0.005 68.896 68.868 0.039 0.000 0.900 440 T HN 0.134 nan 8.240 nan 0.000 0.480 441 K N 2.209 122.659 120.400 0.084 0.000 2.206 441 K HA 0.453 4.402 4.320 -0.617 0.000 0.268 441 K C -1.150 175.512 176.600 0.104 0.000 1.111 441 K CA -0.187 56.148 56.287 0.081 0.000 0.955 441 K CB 1.232 33.774 32.500 0.069 0.000 1.406 441 K HN 0.005 nan 8.250 nan 0.000 0.427 442 V N 2.334 122.309 119.914 0.102 0.000 2.531 442 V HA 0.427 4.177 4.120 -0.617 0.000 0.301 442 V C -0.897 175.251 176.094 0.089 0.000 1.034 442 V CA -0.266 62.106 62.300 0.120 0.000 0.865 442 V CB 1.910 33.840 31.823 0.179 0.000 0.995 442 V HN 0.671 nan 8.190 nan 0.000 0.424 443 T N 5.644 120.219 114.554 0.035 0.000 2.885 443 T HA 0.413 4.392 4.350 -0.617 0.000 0.285 443 T C -0.677 173.951 174.700 -0.120 0.000 1.019 443 T CA -0.405 61.676 62.100 -0.031 0.000 1.010 443 T CB 1.096 69.919 68.868 -0.075 0.000 1.022 443 T HN 0.994 nan 8.240 nan 0.000 0.466 444 C N 6.931 126.085 119.300 -0.244 0.000 2.239 444 C HA 0.497 4.586 4.460 -0.617 0.000 0.325 444 C C 1.680 176.372 174.990 -0.498 0.000 1.231 444 C CA -0.757 57.881 59.018 -0.633 0.000 1.652 444 C CB -1.881 25.401 27.740 -0.763 0.000 2.284 444 C HN 0.989 nan 8.230 nan 0.000 0.499 445 L N 4.487 125.405 121.223 -0.507 0.000 2.395 445 L HA 0.034 4.004 4.340 -0.617 0.000 0.218 445 L C 2.184 178.772 176.870 -0.469 0.000 1.130 445 L CA 1.243 55.850 54.840 -0.388 0.000 0.826 445 L CB -0.350 41.508 42.059 -0.336 0.000 0.941 445 L HN 0.886 nan 8.230 nan 0.000 0.451 446 S N -3.238 112.076 115.700 -0.642 0.000 2.554 446 S HA -0.014 4.086 4.470 -0.617 0.000 0.227 446 S C 1.884 176.137 174.600 -0.579 0.000 1.050 446 S CA -0.082 57.648 58.200 -0.783 0.000 0.927 446 S CB -0.327 62.027 63.200 -1.410 0.000 0.859 446 S HN 0.301 nan 8.310 nan 0.000 0.494 447 C N 2.052 120.999 119.300 -0.588 0.000 2.385 447 C HA -0.060 4.029 4.460 -0.617 0.000 0.275 447 C C 2.366 177.149 174.990 -0.346 0.000 1.199 447 C CA 1.595 60.251 59.018 -0.604 0.000 1.782 447 C CB -1.020 26.250 27.740 -0.783 0.000 2.068 447 C HN 0.608 nan 8.230 nan 0.000 0.471 448 E N -0.441 119.618 120.200 -0.235 0.000 2.501 448 E HA 0.230 4.209 4.350 -0.617 0.000 0.201 448 E C 1.786 178.348 176.600 -0.063 0.000 1.016 448 E CA -0.103 56.232 56.400 -0.108 0.000 0.920 448 E CB -0.169 29.479 29.700 -0.087 0.000 1.023 448 E HN 0.544 nan 8.360 nan 0.000 0.474 449 L N -0.079 121.102 121.223 -0.071 0.000 2.017 449 L HA -0.105 3.864 4.340 -0.617 0.000 0.208 449 L C -0.024 176.859 176.870 0.022 0.000 1.073 449 L CA 1.182 56.012 54.840 -0.016 0.000 0.745 449 L CB -0.136 41.921 42.059 -0.003 0.000 0.894 449 L HN 0.088 nan 8.230 nan 0.000 0.432 450 N N -2.095 116.632 118.700 0.045 0.000 2.732 450 N HA 0.078 4.448 4.740 -0.617 0.000 0.230 450 N C -2.079 173.453 175.510 0.036 0.000 1.487 450 N CA -0.582 52.486 53.050 0.030 0.000 0.765 450 N CB 0.800 39.299 38.487 0.020 0.000 1.384 450 N HN -0.115 nan 8.380 nan 0.000 0.530 451 P HA -0.241 nan 4.420 nan 0.000 0.218 451 P C 0.498 177.828 177.300 0.049 0.000 1.150 451 P CA 1.586 64.719 63.100 0.056 0.000 0.841 451 P CB 0.565 32.301 31.700 0.060 0.000 0.784 452 E N -0.674 119.541 120.200 0.025 0.000 2.140 452 E HA -0.051 3.928 4.350 -0.617 0.000 0.191 452 E C 2.266 178.864 176.600 -0.003 0.000 0.973 452 E CA 0.597 57.005 56.400 0.014 0.000 0.829 452 E CB -0.446 29.256 29.700 0.004 0.000 0.781 452 E HN 0.335 nan 8.360 nan 0.000 0.466 453 R N -0.285 120.202 120.500 -0.021 0.000 2.140 453 R HA 0.089 4.058 4.340 -0.617 0.000 0.213 453 R C -0.032 176.217 176.300 -0.084 0.000 1.059 453 R CA 0.595 56.661 56.100 -0.057 0.000 1.000 453 R CB 0.380 30.636 30.300 -0.073 0.000 0.910 453 R HN 0.006 nan 8.270 nan 0.000 0.455 454 c N 1.081 119.637 118.600 -0.073 0.000 2.321 454 c HA 0.411 4.611 4.570 -0.617 0.000 0.323 454 c C -0.021 174.042 174.090 -0.046 0.000 1.191 454 c CA -0.683 55.539 56.329 -0.179 0.000 1.455 454 c CB 1.262 43.604 42.510 -0.280 0.000 2.083 454 c HN 0.526 nan 8.230 nan 0.000 0.442 455 Q N 0.427 120.209 119.800 -0.031 0.000 2.113 455 Q HA 0.191 4.161 4.340 -0.617 0.000 0.225 455 Q C -0.912 175.168 176.000 0.133 0.000 0.786 455 Q CA 0.074 55.938 55.803 0.101 0.000 0.989 455 Q CB 1.333 30.137 28.738 0.110 0.000 1.174 455 Q HN 0.780 nan 8.270 nan 0.000 0.470 456 Y N 0.507 120.751 120.300 -0.093 0.000 2.373 456 Y HA 0.379 4.558 4.550 -0.617 0.000 0.327 456 Y C -1.693 174.191 175.900 -0.026 0.000 1.036 456 Y CA -1.181 56.923 58.100 0.007 0.000 1.265 456 Y CB 0.657 39.141 38.460 0.041 0.000 1.108 456 Y HN -0.086 nan 8.280 nan 0.000 0.471 457 Y N 1.888 122.251 120.300 0.105 0.000 2.562 457 Y HA 0.705 4.884 4.550 -0.617 0.000 0.343 457 Y C 0.142 176.141 175.900 0.165 0.000 1.025 457 Y CA -0.789 57.386 58.100 0.124 0.000 1.082 457 Y CB 2.317 40.755 38.460 -0.037 0.000 1.264 457 Y HN 0.469 nan 8.280 nan 0.000 0.478 458 S N 0.691 116.652 115.700 0.435 0.000 2.632 458 S HA 0.990 5.089 4.470 -0.617 0.000 0.289 458 S C -1.132 173.629 174.600 0.269 0.000 1.115 458 S CA -0.641 57.771 58.200 0.353 0.000 0.889 458 S CB 2.072 65.545 63.200 0.455 0.000 1.116 458 S HN 1.021 nan 8.310 nan 0.000 0.486 459 A N 0.465 123.425 122.820 0.234 0.000 2.515 459 A HA 0.901 4.851 4.320 -0.617 0.000 0.296 459 A C -0.631 177.100 177.584 0.245 0.000 1.094 459 A CA -0.726 51.411 52.037 0.168 0.000 0.718 459 A CB 1.722 20.752 19.000 0.050 0.000 1.307 459 A HN 1.440 nan 8.150 nan 0.000 0.408 460 S N 0.427 116.251 115.700 0.208 0.000 2.779 460 S HA 0.693 4.793 4.470 -0.617 0.000 0.293 460 S C -1.497 173.307 174.600 0.341 0.000 1.150 460 S CA -0.378 58.047 58.200 0.375 0.000 1.057 460 S CB -0.073 63.378 63.200 0.418 0.000 1.021 460 S HN 0.455 nan 8.310 nan 0.000 0.485 461 F N 3.030 123.072 119.950 0.153 0.000 2.399 461 F HA 0.506 4.663 4.527 -0.618 0.000 0.328 461 F C 1.381 176.726 175.800 -0.758 0.000 1.084 461 F CA -0.384 57.517 58.000 -0.165 0.000 1.053 461 F CB 1.555 40.443 39.000 -0.186 0.000 1.209 461 F HN 0.654 nan 8.300 nan 0.000 0.502 462 S N 0.872 115.863 115.700 -1.181 0.000 2.617 462 S HA 0.120 4.219 4.470 -0.617 0.000 0.259 462 S C 0.992 175.374 174.600 -0.364 0.000 1.301 462 S CA -0.397 56.944 58.200 -1.432 0.000 0.984 462 S CB 0.243 62.714 63.200 -1.215 0.000 0.954 462 S HN 0.734 nan 8.310 nan 0.000 0.572 463 N N 0.834 119.470 118.700 -0.107 0.000 2.091 463 N HA -0.143 4.227 4.740 -0.617 0.000 0.193 463 N C 0.747 176.287 175.510 0.050 0.000 1.021 463 N CA 1.283 54.359 53.050 0.042 0.000 0.862 463 N CB -0.234 38.321 38.487 0.114 0.000 1.018 463 N HN 0.582 nan 8.380 nan 0.000 0.429 464 K N 0.182 120.608 120.400 0.043 0.000 2.699 464 K HA 0.372 4.322 4.320 -0.617 0.000 0.210 464 K C -0.079 176.543 176.600 0.037 0.000 1.076 464 K CA -0.077 56.245 56.287 0.057 0.000 1.109 464 K CB 1.157 33.702 32.500 0.075 0.000 0.862 464 K HN 0.131 nan 8.250 nan 0.000 0.470 465 A N 1.360 124.187 122.820 0.011 0.000 2.826 465 A HA -0.288 3.661 4.320 -0.617 0.000 0.274 465 A C 1.103 178.711 177.584 0.040 0.000 1.443 465 A CA 1.375 53.439 52.037 0.045 0.000 0.833 465 A CB -1.740 17.203 19.000 -0.094 0.000 1.023 465 A HN 0.506 nan 8.150 nan 0.000 0.600 466 K N -2.195 118.176 120.400 -0.049 0.000 2.296 466 K HA 0.154 4.104 4.320 -0.617 0.000 0.200 466 K C -0.082 176.181 176.600 -0.561 0.000 1.048 466 K CA 1.217 57.357 56.287 -0.245 0.000 0.966 466 K CB 0.108 32.476 32.500 -0.219 0.000 0.754 466 K HN 0.720 nan 8.250 nan 0.000 0.466 467 Y N -0.731 119.500 120.300 -0.114 0.000 2.571 467 Y HA 0.295 4.474 4.550 -0.617 0.000 0.341 467 Y C -0.901 174.850 175.900 -0.248 0.000 1.076 467 Y CA -1.652 56.344 58.100 -0.172 0.000 1.029 467 Y CB 1.677 40.061 38.460 -0.127 0.000 1.308 467 Y HN -0.052 nan 8.280 nan 0.000 0.461 468 Y N -0.827 119.405 120.300 -0.114 0.000 2.544 468 Y HA 0.557 4.736 4.550 -0.617 0.000 0.342 468 Y C -1.228 174.674 175.900 0.004 0.000 1.062 468 Y CA -1.459 56.414 58.100 -0.379 0.000 1.023 468 Y CB 1.532 39.119 38.460 -1.455 0.000 1.308 468 Y HN 0.604 nan 8.280 nan 0.000 0.457 469 Q N 3.481 123.397 119.800 0.194 0.000 2.256 469 Q HA 0.593 4.562 4.340 -0.617 0.000 0.257 469 Q C -1.822 174.259 176.000 0.135 0.000 0.936 469 Q CA -0.737 55.142 55.803 0.127 0.000 0.903 469 Q CB 1.460 30.241 28.738 0.073 0.000 1.263 469 Q HN 0.973 nan 8.270 nan 0.000 0.440 470 L N 3.881 125.188 121.223 0.139 0.000 2.317 470 L HA 0.544 4.514 4.340 -0.617 0.000 0.281 470 L C -0.678 176.209 176.870 0.028 0.000 1.024 470 L CA -0.766 54.145 54.840 0.117 0.000 0.810 470 L CB 1.553 43.657 42.059 0.074 0.000 1.240 470 L HN 0.642 nan 8.230 nan 0.000 0.427 471 R N 2.292 122.774 120.500 -0.029 0.000 2.337 471 R HA 0.328 4.298 4.340 -0.617 0.000 0.319 471 R C -0.984 174.894 176.300 -0.702 0.000 0.954 471 R CA -0.315 55.455 56.100 -0.550 0.000 0.840 471 R CB 1.456 31.495 30.300 -0.435 0.000 1.164 471 R HN 0.546 nan 8.270 nan 0.000 0.472 472 c N 4.479 122.515 118.600 -0.940 0.000 2.285 472 c HA 0.486 4.686 4.570 -0.617 0.000 0.335 472 c C 0.243 173.811 174.090 -0.870 0.000 1.267 472 c CA -0.586 55.166 56.329 -0.962 0.000 1.762 472 c CB -0.814 41.178 42.510 -0.864 0.000 2.365 472 c HN 0.978 nan 8.230 nan 0.000 0.527 473 F N 4.443 124.255 119.950 -0.230 0.000 2.664 473 F HA 0.472 4.629 4.527 -0.616 0.000 0.303 473 F C 1.472 177.234 175.800 -0.064 0.000 1.092 473 F CA 0.748 58.682 58.000 -0.109 0.000 1.305 473 F CB 0.182 39.123 39.000 -0.098 0.000 1.054 473 F HN 1.045 nan 8.300 nan 0.000 0.565 474 G N 0.290 109.091 108.800 0.002 0.000 2.362 474 G HA2 0.033 3.623 3.960 -0.617 0.000 0.288 474 G HA3 0.033 3.623 3.960 -0.617 0.000 0.288 474 G C -2.465 172.437 174.900 0.005 0.000 1.305 474 G CA -0.655 44.469 45.100 0.040 0.000 0.910 474 G HN -0.280 nan 8.290 nan 0.000 0.518 475 P HA 0.094 nan 4.420 nan 0.000 0.228 475 P C 1.278 178.621 177.300 0.072 0.000 1.151 475 P CA 1.657 64.802 63.100 0.075 0.000 0.770 475 P CB 0.126 31.858 31.700 0.054 0.000 0.786 476 G N 0.190 108.964 108.800 -0.043 0.000 2.525 476 G HA2 0.427 4.017 3.960 -0.617 0.000 0.287 476 G HA3 0.427 4.017 3.960 -0.617 0.000 0.287 476 G C -0.278 174.399 174.900 -0.371 0.000 1.350 476 G CA -0.795 44.204 45.100 -0.168 0.000 1.039 476 G HN 0.031 nan 8.290 nan 0.000 0.513 477 L N 1.184 122.094 121.223 -0.523 0.000 2.485 477 L HA 0.143 4.112 4.340 -0.617 0.000 0.275 477 L C -1.871 174.817 176.870 -0.303 0.000 1.207 477 L CA -1.223 53.244 54.840 -0.621 0.000 0.855 477 L CB 0.445 42.236 42.059 -0.447 0.000 1.114 477 L HN 0.237 nan 8.230 nan 0.000 0.485 478 P HA -0.004 nan 4.420 nan 0.000 0.264 478 P C -0.892 176.334 177.300 -0.122 0.000 1.179 478 P CA 0.090 63.115 63.100 -0.125 0.000 0.763 478 P CB 0.498 32.276 31.700 0.130 0.000 0.806 479 L N 4.881 125.919 121.223 -0.308 0.000 2.439 479 L HA 0.474 4.444 4.340 -0.617 0.000 0.270 479 L C -1.822 174.847 176.870 -0.335 0.000 0.972 479 L CA -0.664 54.068 54.840 -0.180 0.000 0.836 479 L CB 0.982 42.943 42.059 -0.163 0.000 1.255 479 L HN 0.201 nan 8.230 nan 0.000 0.404 480 Y N 2.826 123.042 120.300 -0.139 0.000 2.335 480 Y HA 0.773 4.953 4.550 -0.618 0.000 0.338 480 Y C 0.531 176.312 175.900 -0.198 0.000 0.977 480 Y CA -0.462 57.545 58.100 -0.154 0.000 1.114 480 Y CB 2.074 40.449 38.460 -0.143 0.000 1.182 480 Y HN 0.684 nan 8.280 nan 0.000 0.463 481 T N 0.782 115.308 114.554 -0.047 0.000 2.896 481 T HA 0.701 4.681 4.350 -0.617 0.000 0.297 481 T C -1.616 172.976 174.700 -0.179 0.000 1.108 481 T CA -0.882 61.137 62.100 -0.135 0.000 1.004 481 T CB 1.885 70.721 68.868 -0.053 0.000 1.159 481 T HN 0.404 nan 8.240 nan 0.000 0.499 482 L N 1.525 122.512 121.223 -0.394 0.000 2.334 482 L HA 0.793 4.763 4.340 -0.617 0.000 0.276 482 L C -1.297 175.179 176.870 -0.656 0.000 1.014 482 L CA -0.203 54.438 54.840 -0.332 0.000 0.815 482 L CB 1.301 43.225 42.059 -0.225 0.000 1.268 482 L HN 0.941 nan 8.230 nan 0.000 0.428 483 H N 0.923 119.757 119.070 -0.392 0.000 2.895 483 H HA 0.567 4.753 4.556 -0.617 0.000 0.373 483 H C -1.034 174.029 175.328 -0.442 0.000 1.174 483 H CA -0.701 55.026 56.048 -0.535 0.000 1.144 483 H CB 1.901 31.070 29.762 -0.988 0.000 1.793 483 H HN 0.500 nan 8.280 nan 0.000 0.551 484 S N 0.249 115.870 115.700 -0.131 0.000 2.462 484 S HA 0.217 4.317 4.470 -0.617 0.000 0.294 484 S C 0.629 175.161 174.600 -0.114 0.000 1.144 484 S CA -0.559 57.550 58.200 -0.152 0.000 1.088 484 S CB 0.687 63.842 63.200 -0.075 0.000 1.009 484 S HN 0.654 nan 8.310 nan 0.000 0.484 485 S N 3.354 118.985 115.700 -0.114 0.000 2.447 485 S HA -0.106 3.994 4.470 -0.617 0.000 0.233 485 S C 2.226 176.834 174.600 0.014 0.000 1.006 485 S CA 1.108 59.365 58.200 0.096 0.000 0.957 485 S CB -0.392 62.865 63.200 0.095 0.000 0.773 485 S HN 0.932 nan 8.310 nan 0.000 0.507 486 S N 2.676 118.336 115.700 -0.067 0.000 2.377 486 S HA -0.172 3.927 4.470 -0.617 0.000 0.224 486 S C 1.702 176.295 174.600 -0.011 0.000 1.042 486 S CA 1.754 59.932 58.200 -0.037 0.000 1.086 486 S CB -0.647 62.520 63.200 -0.055 0.000 0.995 486 S HN 0.617 nan 8.310 nan 0.000 0.428 487 S N -0.370 115.326 115.700 -0.008 0.000 2.730 487 S HA 0.313 4.412 4.470 -0.617 0.000 0.244 487 S C -0.410 174.199 174.600 0.015 0.000 1.022 487 S CA 0.139 58.340 58.200 0.002 0.000 1.014 487 S CB -0.047 63.154 63.200 0.003 0.000 0.963 487 S HN 0.379 nan 8.310 nan 0.000 0.540 488 D N 0.964 121.388 120.400 0.040 0.000 2.800 488 D HA -0.136 4.134 4.640 -0.617 0.000 0.232 488 D C -0.080 176.262 176.300 0.069 0.000 1.137 488 D CA 1.097 55.147 54.000 0.082 0.000 0.718 488 D CB -1.109 39.726 40.800 0.059 0.000 1.084 488 D HN 0.542 nan 8.370 nan 0.000 0.432 489 K N 0.974 121.395 120.400 0.035 0.000 2.270 489 K HA 0.155 4.105 4.320 -0.617 0.000 0.276 489 K C 1.233 177.834 176.600 0.001 0.000 1.023 489 K CA -0.094 56.203 56.287 0.017 0.000 0.955 489 K CB 0.912 33.409 32.500 -0.006 0.000 0.975 489 K HN -0.003 nan 8.250 nan 0.000 0.471 490 E N 3.710 123.894 120.200 -0.027 0.000 2.265 490 E HA -0.191 3.789 4.350 -0.617 0.000 0.196 490 E C 0.776 177.149 176.600 -0.377 0.000 0.996 490 E CA 1.475 57.759 56.400 -0.193 0.000 0.832 490 E CB -0.102 29.541 29.700 -0.096 0.000 0.756 490 E HN 0.677 nan 8.360 nan 0.000 0.491 491 L N -1.031 120.073 121.223 -0.199 0.000 3.437 491 L HA -0.411 3.559 4.340 -0.617 0.000 0.069 491 L C 0.487 177.263 176.870 -0.155 0.000 4.438 491 L CA 3.108 57.853 54.840 -0.159 0.000 0.479 491 L CB -1.024 40.932 42.059 -0.171 0.000 3.549 491 L HN 0.655 nan 8.230 nan 0.000 0.729 492 R N -2.540 117.821 120.500 -0.231 0.000 2.824 492 R HA 0.557 4.527 4.340 -0.617 0.000 0.267 492 R C -1.484 174.680 176.300 -0.226 0.000 1.035 492 R CA -0.570 55.422 56.100 -0.180 0.000 0.887 492 R CB 0.809 31.033 30.300 -0.127 0.000 1.262 492 R HN -0.095 nan 8.270 nan 0.000 0.487 493 V N 3.696 123.507 119.914 -0.172 0.000 2.530 493 V HA 0.190 3.940 4.120 -0.617 0.000 0.282 493 V C 1.187 177.142 176.094 -0.232 0.000 1.048 493 V CA -0.311 61.887 62.300 -0.170 0.000 0.997 493 V CB 1.266 33.026 31.823 -0.104 0.000 0.987 493 V HN 0.685 nan 8.190 nan 0.000 0.477 494 L N 2.432 123.458 121.223 -0.329 0.000 2.316 494 L HA 0.337 4.306 4.340 -0.617 0.000 0.207 494 L C 0.572 177.230 176.870 -0.354 0.000 1.070 494 L CA 0.544 55.015 54.840 -0.615 0.000 0.820 494 L CB 0.331 41.662 42.059 -1.213 0.000 0.992 494 L HN 0.717 nan 8.230 nan 0.000 0.466 495 E N 0.000 120.117 120.200 -0.138 0.000 2.406 495 E HA 0.053 4.033 4.350 -0.617 0.000 0.297 495 E C -1.118 175.515 176.600 0.056 0.000 0.917 495 E CA -0.275 56.126 56.400 0.001 0.000 0.795 495 E CB 0.972 30.691 29.700 0.033 0.000 1.285 495 E HN 0.154 nan 8.360 nan 0.000 0.400 496 D N 3.719 124.130 120.400 0.019 0.000 2.469 496 D HA 0.086 4.355 4.640 -0.617 0.000 0.215 496 D C -0.325 175.972 176.300 -0.005 0.000 1.154 496 D CA -0.211 53.791 54.000 0.004 0.000 0.832 496 D CB -0.041 40.747 40.800 -0.021 0.000 1.008 496 D HN 0.479 nan 8.370 nan 0.000 0.506 497 N N 0.926 119.633 118.700 0.010 0.000 2.693 497 N HA -0.229 4.141 4.740 -0.617 0.000 0.249 497 N C 1.217 176.719 175.510 -0.013 0.000 1.119 497 N CA 0.971 54.020 53.050 -0.002 0.000 0.717 497 N CB -1.469 37.009 38.487 -0.014 0.000 1.071 497 N HN 0.505 nan 8.380 nan 0.000 0.555 498 S N -0.978 114.716 115.700 -0.010 0.000 2.387 498 S HA -0.138 3.962 4.470 -0.617 0.000 0.230 498 S C 2.101 176.706 174.600 0.007 0.000 1.035 498 S CA 1.239 59.434 58.200 -0.008 0.000 1.014 498 S CB -0.263 62.933 63.200 -0.005 0.000 0.836 498 S HN 0.522 nan 8.310 nan 0.000 0.466 499 A N 2.179 125.008 122.820 0.014 0.000 1.858 499 A HA 0.029 3.979 4.320 -0.617 0.000 0.216 499 A C 2.263 179.881 177.584 0.057 0.000 1.190 499 A CA 1.680 53.735 52.037 0.029 0.000 0.617 499 A CB -1.022 17.991 19.000 0.022 0.000 0.827 499 A HN 0.555 nan 8.150 nan 0.000 0.443 500 L N 0.418 121.678 121.223 0.061 0.000 2.042 500 L HA -0.199 3.770 4.340 -0.617 0.000 0.210 500 L C 1.900 178.822 176.870 0.086 0.000 1.076 500 L CA 2.884 57.791 54.840 0.112 0.000 0.749 500 L CB -0.828 41.287 42.059 0.094 0.000 0.893 500 L HN 0.542 nan 8.230 nan 0.000 0.432 501 D N -0.938 119.474 120.400 0.020 0.000 2.123 501 D HA -0.278 3.992 4.640 -0.617 0.000 0.196 501 D C 2.165 178.483 176.300 0.029 0.000 0.992 501 D CA 1.355 55.352 54.000 -0.005 0.000 0.833 501 D CB -0.017 40.763 40.800 -0.033 0.000 0.954 501 D HN 0.208 nan 8.370 nan 0.000 0.455 502 K N 0.079 120.505 120.400 0.043 0.000 2.026 502 K HA -0.101 3.848 4.320 -0.617 0.000 0.208 502 K C 2.030 178.685 176.600 0.091 0.000 1.048 502 K CA 1.390 57.709 56.287 0.053 0.000 0.929 502 K CB -0.361 32.166 32.500 0.045 0.000 0.713 502 K HN 0.244 nan 8.250 nan 0.000 0.439 503 M N -0.026 119.658 119.600 0.139 0.000 2.117 503 M HA -0.142 3.968 4.480 -0.617 0.000 0.262 503 M C 2.006 178.473 176.300 0.279 0.000 1.065 503 M CA 1.555 57.005 55.300 0.250 0.000 1.114 503 M CB -0.304 32.519 32.600 0.373 0.000 1.361 503 M HN 0.109 nan 8.290 nan 0.000 0.408 504 L N 0.163 121.478 121.223 0.153 0.000 2.291 504 L HA -0.185 3.785 4.340 -0.617 0.000 0.214 504 L C 2.618 179.500 176.870 0.019 0.000 1.120 504 L CA 0.834 55.681 54.840 0.012 0.000 0.799 504 L CB -0.745 41.285 42.059 -0.049 0.000 0.925 504 L HN 0.473 nan 8.230 nan 0.000 0.446 505 Q N -0.759 119.066 119.800 0.042 0.000 2.437 505 Q HA -0.221 3.749 4.340 -0.617 0.000 0.210 505 Q C 0.904 176.934 176.000 0.050 0.000 0.972 505 Q CA 1.447 57.269 55.803 0.031 0.000 0.903 505 Q CB -0.228 28.527 28.738 0.029 0.000 0.967 505 Q HN 0.293 nan 8.270 nan 0.000 0.486 506 D N 0.428 120.877 120.400 0.081 0.000 2.349 506 D HA 0.099 4.369 4.640 -0.617 0.000 0.214 506 D C -0.723 175.641 176.300 0.108 0.000 1.063 506 D CA -0.135 53.923 54.000 0.096 0.000 0.847 506 D CB 0.972 41.843 40.800 0.118 0.000 0.933 506 D HN 0.112 nan 8.370 nan 0.000 0.513 507 V N 0.809 120.772 119.914 0.082 0.000 2.628 507 V HA 0.322 4.072 4.120 -0.617 0.000 0.306 507 V C -0.729 175.383 176.094 0.031 0.000 1.045 507 V CA -0.681 61.664 62.300 0.075 0.000 0.905 507 V CB 1.891 33.738 31.823 0.041 0.000 0.997 507 V HN -0.080 nan 8.190 nan 0.000 0.436 508 Q N 6.409 126.240 119.800 0.052 0.000 2.513 508 Q HA 0.270 4.240 4.340 -0.617 0.000 0.227 508 Q C -0.369 175.620 176.000 -0.019 0.000 1.257 508 Q CA -0.109 55.699 55.803 0.007 0.000 0.915 508 Q CB 0.347 29.116 28.738 0.052 0.000 1.507 508 Q HN 0.579 nan 8.270 nan 0.000 0.543 509 M N 3.555 123.119 119.600 -0.060 0.000 2.241 509 M HA 0.311 4.421 4.480 -0.617 0.000 0.335 509 M C -1.931 174.309 176.300 -0.099 0.000 1.122 509 M CA -2.296 52.954 55.300 -0.084 0.000 1.164 509 M CB -0.098 32.445 32.600 -0.096 0.000 1.459 509 M HN 0.300 nan 8.290 nan 0.000 0.461 510 P HA 0.281 nan 4.420 nan 0.000 0.278 510 P C -0.993 176.229 177.300 -0.131 0.000 1.266 510 P CA -0.443 62.583 63.100 -0.123 0.000 0.807 510 P CB 0.763 32.385 31.700 -0.129 0.000 1.094 511 S N -0.569 115.037 115.700 -0.156 0.000 2.537 511 S HA 0.533 4.633 4.470 -0.617 0.000 0.301 511 S C -0.432 174.076 174.600 -0.154 0.000 1.092 511 S CA -0.814 57.301 58.200 -0.142 0.000 1.048 511 S CB 1.647 64.754 63.200 -0.156 0.000 1.053 511 S HN 0.481 nan 8.310 nan 0.000 0.501 512 K N 1.227 121.561 120.400 -0.110 0.000 2.274 512 K HA 0.448 4.398 4.320 -0.617 0.000 0.262 512 K C -1.059 175.486 176.600 -0.091 0.000 0.961 512 K CA -0.546 55.682 56.287 -0.099 0.000 0.833 512 K CB 1.048 33.511 32.500 -0.063 0.000 1.102 512 K HN 0.766 nan 8.250 nan 0.000 0.436 513 K N 4.684 125.018 120.400 -0.110 0.000 2.378 513 K HA 0.378 4.328 4.320 -0.617 0.000 0.252 513 K C -1.566 174.966 176.600 -0.113 0.000 0.931 513 K CA -0.799 55.425 56.287 -0.106 0.000 0.794 513 K CB 1.085 33.498 32.500 -0.144 0.000 1.181 513 K HN 0.391 nan 8.250 nan 0.000 0.425 514 L N 2.817 123.998 121.223 -0.069 0.000 2.334 514 L HA 0.537 4.507 4.340 -0.617 0.000 0.276 514 L C -0.418 176.378 176.870 -0.123 0.000 1.014 514 L CA -0.048 54.766 54.840 -0.042 0.000 0.815 514 L CB 1.738 43.898 42.059 0.169 0.000 1.268 514 L HN 0.781 nan 8.230 nan 0.000 0.428 515 D N 0.421 120.595 120.400 -0.377 0.000 2.768 515 D HA 0.665 4.935 4.640 -0.617 0.000 0.327 515 D C -1.669 174.387 176.300 -0.408 0.000 1.302 515 D CA -0.139 53.614 54.000 -0.412 0.000 0.897 515 D CB 2.222 42.800 40.800 -0.370 0.000 1.420 515 D HN 0.119 nan 8.370 nan 0.000 0.494 516 V N 0.910 120.691 119.914 -0.222 0.000 2.962 516 V HA 0.683 4.433 4.120 -0.617 0.000 0.313 516 V C -0.226 175.987 176.094 0.198 0.000 1.099 516 V CA -0.757 61.462 62.300 -0.135 0.000 0.971 516 V CB 1.879 33.340 31.823 -0.604 0.000 1.028 516 V HN 0.551 nan 8.190 nan 0.000 0.430 517 I N 0.022 120.749 120.570 0.261 0.000 2.969 517 I HA 0.676 4.475 4.170 -0.617 0.000 0.307 517 I C -0.883 175.308 176.117 0.125 0.000 1.149 517 I CA -0.865 60.527 61.300 0.153 0.000 1.008 517 I CB 2.406 40.429 38.000 0.038 0.000 1.232 517 I HN 0.612 nan 8.210 nan 0.000 0.435 518 N N 3.658 122.379 118.700 0.035 0.000 2.419 518 N HA 0.629 4.998 4.740 -0.617 0.000 0.277 518 N C -1.671 173.835 175.510 -0.007 0.000 1.006 518 N CA -0.517 52.545 53.050 0.020 0.000 0.923 518 N CB 1.238 39.711 38.487 -0.023 0.000 1.140 518 N HN 0.634 nan 8.380 nan 0.000 0.488 519 L N 3.524 124.766 121.223 0.031 0.000 2.356 519 L HA 0.358 4.328 4.340 -0.617 0.000 0.277 519 L C -0.426 176.164 176.870 -0.467 0.000 0.996 519 L CA -1.058 53.611 54.840 -0.286 0.000 0.822 519 L CB 1.344 43.211 42.059 -0.320 0.000 1.256 519 L HN 0.928 nan 8.230 nan 0.000 0.413 520 H N 0.963 120.092 119.070 0.099 0.000 2.557 520 H HA -0.204 3.982 4.556 -0.618 0.000 0.319 520 H C 1.032 176.381 175.328 0.034 0.000 1.102 520 H CA 0.634 56.713 56.048 0.051 0.000 1.126 520 H CB -1.987 27.796 29.762 0.034 0.000 1.498 520 H HN 1.025 nan 8.280 nan 0.000 0.411 521 G N -1.732 107.107 108.800 0.065 0.000 2.184 521 G HA2 -0.312 3.278 3.960 -0.617 0.000 0.264 521 G HA3 -0.312 3.278 3.960 -0.617 0.000 0.264 521 G C 0.346 175.241 174.900 -0.008 0.000 0.975 521 G CA 0.465 45.583 45.100 0.030 0.000 0.642 521 G HN 0.914 nan 8.290 nan 0.000 0.536 522 T N 0.896 115.436 114.554 -0.024 0.000 2.855 522 T HA 0.562 4.542 4.350 -0.617 0.000 0.281 522 T C 0.160 174.656 174.700 -0.340 0.000 1.007 522 T CA -0.286 61.678 62.100 -0.225 0.000 1.009 522 T CB 1.640 70.279 68.868 -0.383 0.000 0.983 522 T HN 0.607 nan 8.240 nan 0.000 0.455 523 K N 2.291 122.484 120.400 -0.344 0.000 2.276 523 K HA 0.561 4.510 4.320 -0.617 0.000 0.285 523 K C -1.277 175.128 176.600 -0.325 0.000 1.062 523 K CA -0.416 55.731 56.287 -0.234 0.000 0.918 523 K CB 0.434 32.837 32.500 -0.161 0.000 1.055 523 K HN 0.408 nan 8.250 nan 0.000 0.477 524 F N 1.820 121.847 119.950 0.129 0.000 2.546 524 F HA 0.414 4.571 4.527 -0.616 0.000 0.320 524 F C -0.563 175.405 175.800 0.279 0.000 1.076 524 F CA -1.005 57.137 58.000 0.236 0.000 0.928 524 F CB 1.334 40.514 39.000 0.300 0.000 1.189 524 F HN 0.486 nan 8.300 nan 0.000 0.465 525 W N 2.516 124.057 121.300 0.400 0.000 2.375 525 W HA 0.517 4.806 4.660 -0.618 0.000 0.336 525 W C -0.732 176.093 176.519 0.509 0.000 1.160 525 W CA -0.670 56.892 57.345 0.361 0.000 1.266 525 W CB 0.668 30.245 29.460 0.196 0.000 1.195 525 W HN 0.406 nan 8.180 nan 0.000 0.599 526 Y N -0.374 120.303 120.300 0.628 0.000 2.644 526 Y HA 0.706 4.885 4.550 -0.618 0.000 0.338 526 Y C -1.011 175.103 175.900 0.357 0.000 1.119 526 Y CA -1.796 56.648 58.100 0.574 0.000 1.060 526 Y CB 1.293 40.211 38.460 0.764 0.000 1.294 526 Y HN 0.554 nan 8.280 nan 0.000 0.472 527 Q N 2.073 122.056 119.800 0.305 0.000 2.389 527 Q HA 0.721 4.690 4.340 -0.617 0.000 0.277 527 Q C -1.867 174.196 176.000 0.104 0.000 1.082 527 Q CA -1.139 54.711 55.803 0.079 0.000 0.810 527 Q CB 3.268 32.064 28.738 0.096 0.000 1.374 527 Q HN 0.855 nan 8.270 nan 0.000 0.422 528 M N 2.682 122.278 119.600 -0.007 0.000 2.327 528 M HA 0.450 4.560 4.480 -0.617 0.000 0.298 528 M C -1.345 174.888 176.300 -0.113 0.000 1.065 528 M CA -0.926 54.343 55.300 -0.052 0.000 0.916 528 M CB 2.187 34.743 32.600 -0.073 0.000 1.630 528 M HN 0.634 nan 8.290 nan 0.000 0.442 529 I N 5.215 125.719 120.570 -0.109 0.000 2.307 529 I HA 0.404 4.203 4.170 -0.617 0.000 0.289 529 I C -0.475 175.520 176.117 -0.203 0.000 1.021 529 I CA -0.350 60.867 61.300 -0.139 0.000 1.224 529 I CB 0.591 38.529 38.000 -0.103 0.000 1.376 529 I HN 0.629 nan 8.210 nan 0.000 0.470 530 L N 8.219 129.269 121.223 -0.289 0.000 2.317 530 L HA 0.478 4.447 4.340 -0.617 0.000 0.281 530 L C -2.241 174.472 176.870 -0.262 0.000 1.024 530 L CA -1.874 52.714 54.840 -0.419 0.000 0.810 530 L CB 1.380 42.960 42.059 -0.800 0.000 1.240 530 L HN 0.251 nan 8.230 nan 0.000 0.427 531 P HA 0.056 nan 4.420 nan 0.000 0.267 531 P C -2.438 174.878 177.300 0.026 0.000 1.200 531 P CA -0.662 62.425 63.100 -0.021 0.000 0.772 531 P CB -0.083 31.662 31.700 0.075 0.000 0.855 532 P HA 0.017 nan 4.420 nan 0.000 0.270 532 P C -0.583 176.746 177.300 0.049 0.000 1.223 532 P CA 0.260 63.319 63.100 -0.070 0.000 0.785 532 P CB -0.166 31.467 31.700 -0.112 0.000 0.923 533 H N -1.989 117.128 119.070 0.078 0.000 2.604 533 H HA -0.218 3.968 4.556 -0.617 0.000 0.321 533 H C -0.178 175.223 175.328 0.121 0.000 1.132 533 H CA -0.347 55.750 56.048 0.082 0.000 1.129 533 H CB -2.013 27.785 29.762 0.060 0.000 1.526 533 H HN 0.279 nan 8.280 nan 0.000 0.415 534 F N 1.934 121.903 119.950 0.032 0.000 2.602 534 F HA 0.024 4.181 4.527 -0.618 0.000 0.385 534 F C 0.754 176.601 175.800 0.079 0.000 1.063 534 F CA -0.059 57.932 58.000 -0.014 0.000 1.233 534 F CB 0.400 39.276 39.000 -0.207 0.000 1.067 534 F HN 0.299 nan 8.300 nan 0.000 0.564 535 D N 5.320 125.518 120.400 -0.337 0.000 2.427 535 D HA 0.159 4.429 4.640 -0.617 0.000 0.226 535 D C 0.723 176.851 176.300 -0.286 0.000 1.076 535 D CA -0.422 53.464 54.000 -0.190 0.000 0.849 535 D CB 1.313 42.048 40.800 -0.108 0.000 1.052 535 D HN 0.411 nan 8.370 nan 0.000 0.515 536 K N 0.922 121.258 120.400 -0.106 0.000 2.281 536 K HA -0.109 3.840 4.320 -0.617 0.000 0.203 536 K C 1.755 178.406 176.600 0.085 0.000 1.046 536 K CA 1.170 57.496 56.287 0.065 0.000 0.938 536 K CB 0.058 32.655 32.500 0.161 0.000 0.737 536 K HN 0.403 nan 8.250 nan 0.000 0.458 537 S N -0.648 115.056 115.700 0.006 0.000 2.528 537 S HA 0.020 4.120 4.470 -0.617 0.000 0.219 537 S C 0.718 175.289 174.600 -0.048 0.000 0.985 537 S CA -0.200 57.997 58.200 -0.005 0.000 0.914 537 S CB 0.003 63.192 63.200 -0.019 0.000 0.776 537 S HN 0.135 nan 8.310 nan 0.000 0.526 538 K N 1.669 122.006 120.400 -0.105 0.000 2.118 538 K HA 0.282 4.232 4.320 -0.617 0.000 0.267 538 K C -1.016 175.487 176.600 -0.161 0.000 0.991 538 K CA -0.516 55.628 56.287 -0.238 0.000 0.916 538 K CB 0.603 32.801 32.500 -0.504 0.000 1.041 538 K HN 0.063 nan 8.250 nan 0.000 0.455 539 K N 3.765 124.053 120.400 -0.185 0.000 2.299 539 K HA 0.161 4.110 4.320 -0.617 0.000 0.268 539 K C -1.221 175.305 176.600 -0.122 0.000 1.075 539 K CA -0.484 55.766 56.287 -0.062 0.000 0.936 539 K CB 0.565 33.024 32.500 -0.069 0.000 1.228 539 K HN 0.389 nan 8.250 nan 0.000 0.454 540 Y N 3.616 123.910 120.300 -0.010 0.000 2.299 540 Y HA 0.153 4.332 4.550 -0.618 0.000 0.326 540 Y C -1.735 174.090 175.900 -0.125 0.000 1.164 540 Y CA -2.309 55.767 58.100 -0.039 0.000 1.234 540 Y CB 0.242 38.749 38.460 0.077 0.000 1.219 540 Y HN 0.489 nan 8.280 nan 0.000 0.497 541 P HA 0.107 nan 4.420 nan 0.000 0.272 541 P C -0.941 176.165 177.300 -0.323 0.000 1.230 541 P CA -0.142 62.650 63.100 -0.513 0.000 0.788 541 P CB 1.427 32.437 31.700 -1.150 0.000 0.949 542 L N 2.197 123.247 121.223 -0.289 0.000 2.385 542 L HA 0.479 4.449 4.340 -0.617 0.000 0.273 542 L C -0.946 176.048 176.870 0.207 0.000 0.990 542 L CA -1.086 53.754 54.840 0.000 0.000 0.821 542 L CB 1.731 43.819 42.059 0.048 0.000 1.279 542 L HN 0.303 nan 8.230 nan 0.000 0.412 543 L N 5.671 127.050 121.223 0.261 0.000 2.313 543 L HA 0.487 4.457 4.340 -0.617 0.000 0.283 543 L C -0.831 176.260 176.870 0.368 0.000 1.013 543 L CA -0.727 54.350 54.840 0.394 0.000 0.816 543 L CB 1.826 44.076 42.059 0.318 0.000 1.236 543 L HN 0.499 nan 8.230 nan 0.000 0.419 544 I N 4.166 125.012 120.570 0.460 0.000 2.331 544 I HA 0.286 4.086 4.170 -0.617 0.000 0.292 544 I C 0.166 176.542 176.117 0.431 0.000 0.998 544 I CA -0.208 61.354 61.300 0.436 0.000 1.267 544 I CB 1.571 39.882 38.000 0.519 0.000 1.386 544 I HN 0.644 nan 8.210 nan 0.000 0.476 545 E N 5.748 126.163 120.200 0.357 0.000 2.133 545 E HA 0.515 4.495 4.350 -0.617 0.000 0.274 545 E C -1.542 175.139 176.600 0.136 0.000 0.930 545 E CA -0.420 56.114 56.400 0.223 0.000 0.770 545 E CB 2.015 31.903 29.700 0.313 0.000 1.104 545 E HN 0.422 nan 8.360 nan 0.000 0.403 546 V N 5.767 125.691 119.914 0.017 0.000 2.823 546 V HA 0.376 4.126 4.120 -0.617 0.000 0.312 546 V C -1.165 175.033 176.094 0.173 0.000 1.072 546 V CA -0.308 62.074 62.300 0.137 0.000 0.937 546 V CB 1.767 33.692 31.823 0.170 0.000 1.013 546 V HN 0.945 nan 8.190 nan 0.000 0.430 547 Y N 4.970 125.333 120.300 0.105 0.000 3.127 547 Y HA 0.469 4.650 4.550 -0.615 0.000 0.196 547 Y C 1.633 177.653 175.900 0.199 0.000 0.920 547 Y CA 0.340 58.524 58.100 0.140 0.000 1.664 547 Y CB 0.529 39.053 38.460 0.107 0.000 1.399 547 Y HN 0.984 nan 8.280 nan 0.000 0.435 548 A N 1.327 124.228 122.820 0.135 0.000 2.861 548 A HA -0.208 3.741 4.320 -0.617 0.000 0.261 548 A C 0.676 178.093 177.584 -0.279 0.000 1.351 548 A CA 0.962 52.986 52.037 -0.021 0.000 0.904 548 A CB -2.500 16.614 19.000 0.190 0.000 1.076 548 A HN 0.808 nan 8.150 nan 0.000 0.729 549 G N -0.512 107.859 108.800 -0.716 0.000 2.616 549 G HA2 0.526 4.116 3.960 -0.617 0.000 0.268 549 G HA3 0.526 4.116 3.960 -0.617 0.000 0.268 549 G C -1.932 172.494 174.900 -0.790 0.000 1.213 549 G CA -0.734 43.591 45.100 -1.291 0.000 0.926 549 G HN 0.410 nan 8.290 nan 0.000 0.523 550 P HA 0.023 nan 4.420 nan 0.000 0.263 550 P C 0.587 177.640 177.300 -0.411 0.000 1.195 550 P CA 0.282 63.036 63.100 -0.576 0.000 0.762 550 P CB 0.784 31.790 31.700 -1.158 0.000 0.799 551 C N 2.303 121.456 119.300 -0.244 0.000 4.417 551 C HA -0.149 3.941 4.460 -0.617 0.000 0.284 551 C C 1.063 175.994 174.990 -0.098 0.000 1.379 551 C CA 1.159 60.030 59.018 -0.244 0.000 1.918 551 C CB -2.648 24.834 27.740 -0.430 0.000 1.280 551 C HN 0.826 nan 8.230 nan 0.000 0.783 552 S N 0.108 115.652 115.700 -0.260 0.000 2.603 552 S HA 0.521 4.621 4.470 -0.617 0.000 0.268 552 S C -0.525 174.037 174.600 -0.063 0.000 1.317 552 S CA 0.223 58.177 58.200 -0.409 0.000 1.012 552 S CB 1.580 63.961 63.200 -1.364 0.000 0.926 552 S HN 0.802 nan 8.310 nan 0.000 0.539 553 Q N 0.438 120.300 119.800 0.104 0.000 2.650 553 Q HA 0.305 4.274 4.340 -0.617 0.000 0.239 553 Q C -0.478 175.625 176.000 0.172 0.000 0.893 553 Q CA -0.625 55.285 55.803 0.178 0.000 0.755 553 Q CB 0.744 29.649 28.738 0.279 0.000 1.349 553 Q HN 0.622 nan 8.270 nan 0.000 0.461 554 K N 1.272 121.762 120.400 0.151 0.000 2.426 554 K HA 0.185 4.135 4.320 -0.617 0.000 0.193 554 K C -0.160 176.534 176.600 0.157 0.000 1.028 554 K CA 0.322 56.717 56.287 0.179 0.000 1.047 554 K CB 0.795 33.418 32.500 0.205 0.000 0.821 554 K HN 0.357 nan 8.250 nan 0.000 0.513 555 V N 3.418 123.420 119.914 0.147 0.000 2.334 555 V HA 0.207 3.957 4.120 -0.617 0.000 0.281 555 V C -0.565 175.578 176.094 0.081 0.000 1.016 555 V CA -0.900 61.485 62.300 0.143 0.000 0.832 555 V CB 1.318 33.273 31.823 0.219 0.000 0.999 555 V HN 0.269 nan 8.190 nan 0.000 0.439 556 D N 2.125 122.562 120.400 0.062 0.000 2.677 556 D HA 0.279 4.548 4.640 -0.617 0.000 0.298 556 D C 0.351 176.677 176.300 0.043 0.000 1.250 556 D CA -0.080 53.956 54.000 0.060 0.000 0.888 556 D CB 1.505 42.366 40.800 0.102 0.000 1.397 556 D HN 0.359 nan 8.370 nan 0.000 0.461 557 T N -2.099 112.515 114.554 0.101 0.000 3.244 557 T HA 0.342 4.322 4.350 -0.617 0.000 0.254 557 T C 0.348 175.061 174.700 0.022 0.000 1.024 557 T CA -0.422 61.725 62.100 0.079 0.000 0.920 557 T CB -0.762 68.179 68.868 0.122 0.000 1.042 557 T HN 0.279 nan 8.240 nan 0.000 0.572 558 V N 2.678 122.511 119.914 -0.135 0.000 2.555 558 V HA 0.327 4.077 4.120 -0.617 0.000 0.286 558 V C 0.125 176.210 176.094 -0.016 0.000 1.044 558 V CA -1.012 61.171 62.300 -0.195 0.000 1.026 558 V CB 0.094 31.668 31.823 -0.414 0.000 0.981 558 V HN 0.620 nan 8.190 nan 0.000 0.480 559 F N 6.759 126.676 119.950 -0.055 0.000 2.438 559 F HA 0.562 4.719 4.527 -0.616 0.000 0.356 559 F C 0.450 176.244 175.800 -0.010 0.000 1.099 559 F CA -0.142 57.839 58.000 -0.031 0.000 1.185 559 F CB 0.236 39.225 39.000 -0.018 0.000 1.115 559 F HN 0.425 nan 8.300 nan 0.000 0.526 560 R N 5.901 125.904 120.500 -0.828 0.000 2.621 560 R HA 0.472 4.442 4.340 -0.617 0.000 0.284 560 R C -1.942 173.930 176.300 -0.713 0.000 0.998 560 R CA -1.236 54.513 56.100 -0.585 0.000 0.895 560 R CB 1.890 32.047 30.300 -0.238 0.000 1.195 560 R HN 0.472 nan 8.270 nan 0.000 0.450 561 L N 2.822 123.794 121.223 -0.419 0.000 2.272 561 L HA 0.366 4.336 4.340 -0.617 0.000 0.284 561 L C -0.053 176.822 176.870 0.008 0.000 1.045 561 L CA 0.148 54.814 54.840 -0.289 0.000 0.842 561 L CB 0.636 42.667 42.059 -0.046 0.000 1.224 561 L HN 0.801 nan 8.230 nan 0.000 0.430 562 S N 1.660 117.297 115.700 -0.104 0.000 2.810 562 S HA 0.334 4.433 4.470 -0.617 0.000 0.315 562 S C 0.567 174.906 174.600 -0.435 0.000 1.138 562 S CA -0.682 57.418 58.200 -0.166 0.000 0.889 562 S CB 0.702 63.870 63.200 -0.054 0.000 1.236 562 S HN 0.503 nan 8.310 nan 0.000 0.548 563 W N 1.375 122.088 121.300 -0.978 0.000 2.338 563 W HA 0.017 4.310 4.660 -0.612 0.000 0.304 563 W C 2.401 178.854 176.519 -0.110 0.000 1.212 563 W CA 2.261 59.200 57.345 -0.678 0.000 1.264 563 W CB -1.062 28.114 29.460 -0.473 0.000 1.142 563 W HN 0.831 nan 8.180 nan 0.000 0.512 564 A N -0.335 122.433 122.820 -0.087 0.000 1.978 564 A HA -0.211 3.738 4.320 -0.617 0.000 0.220 564 A C 1.939 179.420 177.584 -0.172 0.000 1.170 564 A CA 2.502 54.427 52.037 -0.187 0.000 0.636 564 A CB -1.318 17.673 19.000 -0.015 0.000 0.810 564 A HN 0.318 nan 8.150 nan 0.000 0.448 565 T N -1.128 113.350 114.554 -0.125 0.000 2.684 565 T HA -0.225 3.754 4.350 -0.617 0.000 0.267 565 T C 1.806 176.527 174.700 0.035 0.000 1.036 565 T CA 1.815 63.828 62.100 -0.145 0.000 1.148 565 T CB -0.499 68.137 68.868 -0.386 0.000 0.863 565 T HN 0.697 nan 8.240 nan 0.000 0.436 566 Y N 2.160 122.536 120.300 0.127 0.000 2.145 566 Y HA -0.045 4.135 4.550 -0.618 0.000 0.286 566 Y C 1.966 177.864 175.900 -0.004 0.000 1.145 566 Y CA 0.946 59.158 58.100 0.186 0.000 1.148 566 Y CB -0.855 37.710 38.460 0.176 0.000 0.981 566 Y HN 0.128 nan 8.280 nan 0.000 0.507 567 L N 0.259 120.998 121.223 -0.806 0.000 2.079 567 L HA -0.225 3.744 4.340 -0.617 0.000 0.210 567 L C 2.786 179.409 176.870 -0.412 0.000 1.081 567 L CA 1.361 55.697 54.840 -0.839 0.000 0.752 567 L CB -0.956 40.670 42.059 -0.720 0.000 0.896 567 L HN 0.425 nan 8.230 nan 0.000 0.433 568 A N -1.335 121.329 122.820 -0.260 0.000 1.878 568 A HA -0.147 3.802 4.320 -0.617 0.000 0.213 568 A C 2.501 180.039 177.584 -0.076 0.000 1.192 568 A CA 1.501 53.455 52.037 -0.137 0.000 0.619 568 A CB -0.595 18.327 19.000 -0.130 0.000 0.837 568 A HN 0.292 nan 8.150 nan 0.000 0.446 569 S N -0.938 114.731 115.700 -0.051 0.000 2.348 569 S HA -0.134 3.966 4.470 -0.617 0.000 0.221 569 S C 1.995 176.627 174.600 0.054 0.000 1.033 569 S CA 2.395 60.614 58.200 0.031 0.000 1.010 569 S CB -0.379 62.892 63.200 0.120 0.000 0.891 569 S HN 0.593 nan 8.310 nan 0.000 0.442 570 T N 1.131 115.700 114.554 0.025 0.000 2.983 570 T HA 0.174 4.154 4.350 -0.617 0.000 0.250 570 T C 1.338 176.035 174.700 -0.005 0.000 1.037 570 T CA 0.495 62.632 62.100 0.061 0.000 1.142 570 T CB -0.079 68.913 68.868 0.207 0.000 0.876 570 T HN 0.318 nan 8.240 nan 0.000 0.455 571 E N 1.342 121.452 120.200 -0.150 0.000 2.479 571 E HA 0.161 4.141 4.350 -0.617 0.000 0.193 571 E C -0.110 176.483 176.600 -0.013 0.000 1.049 571 E CA -0.104 56.240 56.400 -0.092 0.000 0.870 571 E CB -0.385 29.193 29.700 -0.202 0.000 0.944 571 E HN 0.525 nan 8.360 nan 0.000 0.492 572 N N 0.772 119.485 118.700 0.021 0.000 2.725 572 N HA -0.191 4.179 4.740 -0.617 0.000 0.251 572 N C -0.935 174.684 175.510 0.182 0.000 1.031 572 N CA 0.247 53.391 53.050 0.156 0.000 0.720 572 N CB -1.075 37.531 38.487 0.198 0.000 0.930 572 N HN 0.215 nan 8.380 nan 0.000 0.543 573 I N 0.931 121.529 120.570 0.047 0.000 2.404 573 I HA 0.375 4.174 4.170 -0.617 0.000 0.293 573 I C 0.518 176.632 176.117 -0.005 0.000 0.992 573 I CA -0.863 60.454 61.300 0.027 0.000 1.149 573 I CB 1.455 39.465 38.000 0.017 0.000 1.315 573 I HN 0.034 nan 8.210 nan 0.000 0.446 574 I N 6.347 126.926 120.570 0.015 0.000 2.441 574 I HA 0.219 4.018 4.170 -0.617 0.000 0.287 574 I C -0.375 175.741 176.117 -0.002 0.000 1.049 574 I CA -0.445 60.836 61.300 -0.032 0.000 1.381 574 I CB 1.213 39.215 38.000 0.004 0.000 1.409 574 I HN 0.192 nan 8.210 nan 0.000 0.523 575 V N 6.013 125.914 119.914 -0.021 0.000 2.448 575 V HA 0.744 4.494 4.120 -0.617 0.000 0.295 575 V C 0.099 176.221 176.094 0.048 0.000 1.025 575 V CA -0.433 61.894 62.300 0.046 0.000 0.859 575 V CB 1.424 33.266 31.823 0.032 0.000 0.988 575 V HN 0.871 nan 8.190 nan 0.000 0.431 576 A N 3.639 126.518 122.820 0.100 0.000 2.454 576 A HA 0.957 4.907 4.320 -0.617 0.000 0.302 576 A C -0.487 177.232 177.584 0.225 0.000 1.079 576 A CA -0.542 51.545 52.037 0.084 0.000 0.731 576 A CB 2.150 21.062 19.000 -0.146 0.000 1.299 576 A HN 0.674 nan 8.150 nan 0.000 0.413 577 S N -0.303 115.568 115.700 0.285 0.000 2.570 577 S HA 0.820 4.920 4.470 -0.617 0.000 0.286 577 S C -1.565 173.366 174.600 0.552 0.000 1.099 577 S CA -0.299 58.123 58.200 0.369 0.000 0.913 577 S CB 1.415 64.781 63.200 0.276 0.000 1.085 577 S HN 0.898 nan 8.310 nan 0.000 0.480 578 F N 1.695 121.856 119.950 0.352 0.000 2.581 578 F HA 0.494 4.650 4.527 -0.618 0.000 0.311 578 F C -1.700 174.251 175.800 0.252 0.000 1.113 578 F CA -0.861 57.364 58.000 0.376 0.000 0.935 578 F CB 1.557 40.785 39.000 0.380 0.000 1.232 578 F HN 0.380 nan 8.300 nan 0.000 0.445 579 D N 4.324 124.390 120.400 -0.557 0.000 2.454 579 D HA 0.446 4.715 4.640 -0.617 0.000 0.225 579 D C 0.285 176.017 176.300 -0.947 0.000 1.081 579 D CA 0.106 53.826 54.000 -0.467 0.000 0.864 579 D CB 1.575 42.333 40.800 -0.071 0.000 1.040 579 D HN 0.784 nan 8.370 nan 0.000 0.517 580 G N 1.301 109.563 108.800 -0.896 0.000 2.940 580 G HA2 0.290 3.879 3.960 -0.617 0.000 0.164 580 G HA3 0.290 3.879 3.960 -0.617 0.000 0.164 580 G C -0.018 174.558 174.900 -0.540 0.000 1.326 580 G CA -0.726 43.714 45.100 -1.101 0.000 1.020 580 G HN 0.285 nan 8.290 nan 0.000 0.586 581 R N -0.225 120.065 120.500 -0.350 0.000 2.538 581 R HA 0.368 4.338 4.340 -0.617 0.000 0.282 581 R C 1.137 177.468 176.300 0.050 0.000 1.009 581 R CA 1.465 57.578 56.100 0.023 0.000 1.063 581 R CB 0.420 30.792 30.300 0.121 0.000 0.945 581 R HN 1.039 nan 8.270 nan 0.000 0.414 582 G N 1.423 110.267 108.800 0.073 0.000 2.259 582 G HA2 -0.310 3.280 3.960 -0.617 0.000 0.217 582 G HA3 -0.310 3.280 3.960 -0.617 0.000 0.217 582 G C 0.122 174.997 174.900 -0.043 0.000 1.001 582 G CA 0.029 45.149 45.100 0.034 0.000 0.627 582 G HN 0.696 nan 8.290 nan 0.000 0.501 583 S N 0.517 116.187 115.700 -0.050 0.000 2.584 583 S HA 0.621 4.721 4.470 -0.617 0.000 0.270 583 S C 0.881 175.447 174.600 -0.055 0.000 1.346 583 S CA 0.471 58.630 58.200 -0.068 0.000 1.018 583 S CB 1.748 64.929 63.200 -0.032 0.000 0.899 583 S HN 1.647 nan 8.310 nan 0.000 0.542 584 G N -0.780 107.965 108.800 -0.091 0.000 2.613 584 G HA2 0.499 4.089 3.960 -0.617 0.000 0.303 584 G HA3 0.499 4.089 3.960 -0.617 0.000 0.303 584 G C -0.923 173.885 174.900 -0.153 0.000 1.312 584 G CA -1.077 43.842 45.100 -0.302 0.000 1.036 584 G HN 0.940 nan 8.290 nan 0.000 0.513 585 Y N -2.415 117.897 120.300 0.019 0.000 4.668 585 Y HA -0.216 3.963 4.550 -0.618 0.000 0.234 585 Y C 1.374 177.314 175.900 0.067 0.000 1.056 585 Y CA 1.106 59.231 58.100 0.041 0.000 2.025 585 Y CB -2.104 36.390 38.460 0.057 0.000 1.613 585 Y HN 0.528 nan 8.280 nan 0.000 0.653 586 Q N -0.041 119.815 119.800 0.093 0.000 2.086 586 Q HA 0.510 4.480 4.340 -0.617 0.000 0.220 586 Q C 0.829 176.792 176.000 -0.062 0.000 0.792 586 Q CA 0.214 56.102 55.803 0.142 0.000 1.062 586 Q CB 1.709 30.542 28.738 0.157 0.000 1.198 586 Q HN 0.579 nan 8.270 nan 0.000 0.466 587 G N 0.737 109.363 108.800 -0.289 0.000 2.675 587 G HA2 -0.169 3.421 3.960 -0.617 0.000 0.686 587 G HA3 -0.169 3.421 3.960 -0.617 0.000 0.686 587 G C -0.499 174.060 174.900 -0.568 0.000 1.215 587 G CA -0.633 44.028 45.100 -0.731 0.000 0.777 587 G HN 0.103 nan 8.290 nan 0.000 0.638 588 D N 0.423 120.424 120.400 -0.665 0.000 2.263 588 D HA -0.046 4.224 4.640 -0.617 0.000 0.208 588 D C 2.347 178.314 176.300 -0.555 0.000 0.971 588 D CA 1.302 54.804 54.000 -0.830 0.000 0.867 588 D CB 0.059 40.278 40.800 -0.969 0.000 0.929 588 D HN 0.611 nan 8.370 nan 0.000 0.492 589 K N 0.103 120.270 120.400 -0.387 0.000 2.057 589 K HA -0.040 3.910 4.320 -0.617 0.000 0.207 589 K C 2.162 178.693 176.600 -0.116 0.000 1.049 589 K CA 0.707 56.870 56.287 -0.206 0.000 0.931 589 K CB 0.075 32.469 32.500 -0.177 0.000 0.714 589 K HN 0.157 nan 8.250 nan 0.000 0.440 590 I N 0.423 120.920 120.570 -0.121 0.000 2.193 590 I HA -0.233 3.566 4.170 -0.617 0.000 0.240 590 I C 2.566 178.688 176.117 0.009 0.000 1.084 590 I CA 0.957 62.273 61.300 0.026 0.000 1.365 590 I CB -0.095 37.962 38.000 0.095 0.000 1.064 590 I HN 0.202 nan 8.210 nan 0.000 0.410 591 M N 0.221 119.752 119.600 -0.116 0.000 2.086 591 M HA -0.265 3.844 4.480 -0.617 0.000 0.261 591 M C 2.086 178.430 176.300 0.073 0.000 1.067 591 M CA 2.049 57.303 55.300 -0.076 0.000 1.116 591 M CB -0.394 32.064 32.600 -0.236 0.000 1.348 591 M HN 0.266 nan 8.290 nan 0.000 0.407 592 H N -0.644 118.312 119.070 -0.190 0.000 2.556 592 H HA 0.104 4.289 4.556 -0.617 0.000 0.268 592 H C 1.901 177.252 175.328 0.037 0.000 0.996 592 H CA 0.122 56.071 56.048 -0.166 0.000 1.157 592 H CB 0.038 29.609 29.762 -0.318 0.000 1.355 592 H HN 0.554 nan 8.280 nan 0.000 0.597 593 A N 1.645 124.577 122.820 0.186 0.000 2.024 593 A HA -0.155 3.795 4.320 -0.617 0.000 0.220 593 A C 2.128 179.911 177.584 0.331 0.000 1.164 593 A CA 1.296 53.482 52.037 0.249 0.000 0.643 593 A CB -0.685 18.453 19.000 0.230 0.000 0.806 593 A HN 0.604 nan 8.150 nan 0.000 0.451 594 I N -3.161 117.558 120.570 0.248 0.000 3.875 594 I HA 0.145 3.944 4.170 -0.617 0.000 0.329 594 I C 0.431 176.600 176.117 0.087 0.000 1.295 594 I CA -0.444 60.934 61.300 0.130 0.000 1.129 594 I CB -0.656 37.398 38.000 0.090 0.000 1.008 594 I HN 0.236 nan 8.210 nan 0.000 0.413 595 N N 3.009 121.818 118.700 0.181 0.000 2.357 595 N HA -0.106 4.264 4.740 -0.617 0.000 0.257 595 N C 0.215 175.721 175.510 -0.006 0.000 1.250 595 N CA 0.382 53.532 53.050 0.166 0.000 0.862 595 N CB 0.332 38.893 38.487 0.125 0.000 1.066 595 N HN 0.397 nan 8.380 nan 0.000 0.468 596 R N 0.180 120.647 120.500 -0.055 0.000 4.000 596 R HA -0.212 3.758 4.340 -0.617 0.000 0.348 596 R C -0.200 175.980 176.300 -0.200 0.000 1.204 596 R CA 1.642 57.648 56.100 -0.157 0.000 0.987 596 R CB -1.468 28.719 30.300 -0.188 0.000 1.446 596 R HN 0.786 nan 8.270 nan 0.000 0.555 597 R N -0.054 120.368 120.500 -0.130 0.000 2.583 597 R HA 0.272 4.241 4.340 -0.617 0.000 0.282 597 R C -0.468 175.810 176.300 -0.036 0.000 1.288 597 R CA -0.684 55.401 56.100 -0.024 0.000 1.415 597 R CB 0.239 30.481 30.300 -0.097 0.000 1.331 597 R HN -0.035 nan 8.270 nan 0.000 0.719 598 L N 1.130 122.307 121.223 -0.076 0.000 2.514 598 L HA 0.199 4.168 4.340 -0.617 0.000 0.280 598 L C 1.182 178.219 176.870 0.279 0.000 1.223 598 L CA 1.536 56.396 54.840 0.034 0.000 0.864 598 L CB 0.549 42.437 42.059 -0.286 0.000 1.118 598 L HN 0.879 nan 8.230 nan 0.000 0.494 599 G N 1.183 110.232 108.800 0.416 0.000 2.141 599 G HA2 -0.289 3.301 3.960 -0.617 0.000 0.242 599 G HA3 -0.289 3.301 3.960 -0.617 0.000 0.242 599 G C 0.474 175.452 174.900 0.130 0.000 0.982 599 G CA 0.534 45.839 45.100 0.343 0.000 0.662 599 G HN 0.803 nan 8.290 nan 0.000 0.527 600 T N -3.174 111.425 114.554 0.075 0.000 3.479 600 T HA 0.452 4.432 4.350 -0.617 0.000 0.197 600 T C 1.700 176.476 174.700 0.127 0.000 0.912 600 T CA 0.984 63.078 62.100 -0.011 0.000 1.281 600 T CB -0.123 68.581 68.868 -0.275 0.000 1.588 600 T HN 0.139 nan 8.240 nan 0.000 0.389 601 F N 3.520 123.529 119.950 0.100 0.000 2.216 601 F HA 0.098 4.255 4.527 -0.616 0.000 0.300 601 F C 2.750 178.602 175.800 0.087 0.000 1.085 601 F CA 0.898 58.945 58.000 0.078 0.000 1.326 601 F CB -0.777 38.252 39.000 0.049 0.000 1.027 601 F HN 0.507 nan 8.300 nan 0.000 0.497 602 E N 0.656 121.020 120.200 0.273 0.000 2.152 602 E HA -0.095 3.885 4.350 -0.617 0.000 0.192 602 E C 2.153 178.869 176.600 0.194 0.000 0.983 602 E CA 1.218 57.739 56.400 0.202 0.000 0.818 602 E CB -1.097 28.715 29.700 0.187 0.000 0.758 602 E HN 0.275 nan 8.360 nan 0.000 0.467 603 V N 1.850 121.869 119.914 0.175 0.000 2.307 603 V HA -0.223 3.527 4.120 -0.617 0.000 0.245 603 V C 2.384 178.548 176.094 0.116 0.000 1.045 603 V CA 2.200 64.562 62.300 0.105 0.000 1.024 603 V CB -0.587 31.252 31.823 0.027 0.000 0.651 603 V HN 0.226 nan 8.190 nan 0.000 0.449 604 E N 0.023 120.313 120.200 0.150 0.000 2.085 604 E HA -0.256 3.724 4.350 -0.617 0.000 0.194 604 E C 1.926 178.614 176.600 0.147 0.000 0.994 604 E CA 1.602 58.094 56.400 0.152 0.000 0.801 604 E CB -0.190 29.635 29.700 0.208 0.000 0.743 604 E HN 0.587 nan 8.360 nan 0.000 0.453 605 D N 0.171 120.682 120.400 0.184 0.000 2.178 605 D HA -0.125 4.145 4.640 -0.617 0.000 0.202 605 D C 1.973 178.369 176.300 0.160 0.000 0.974 605 D CA 0.675 54.784 54.000 0.181 0.000 0.841 605 D CB -0.103 40.834 40.800 0.229 0.000 0.953 605 D HN 0.091 nan 8.370 nan 0.000 0.478 606 Q N 0.226 120.153 119.800 0.212 0.000 2.084 606 Q HA -0.063 3.907 4.340 -0.617 0.000 0.202 606 Q C 2.549 178.645 176.000 0.160 0.000 0.978 606 Q CA 0.625 56.568 55.803 0.233 0.000 0.844 606 Q CB -0.204 28.663 28.738 0.214 0.000 0.898 606 Q HN 0.424 nan 8.270 nan 0.000 0.426 607 I N 0.516 121.180 120.570 0.155 0.000 2.202 607 I HA -0.254 3.546 4.170 -0.617 0.000 0.242 607 I C 2.496 178.603 176.117 -0.016 0.000 1.091 607 I CA 1.189 62.599 61.300 0.183 0.000 1.368 607 I CB -0.274 37.823 38.000 0.162 0.000 1.058 607 I HN 0.261 nan 8.210 nan 0.000 0.410 608 E N 1.118 121.271 120.200 -0.078 0.000 2.077 608 E HA -0.232 3.747 4.350 -0.617 0.000 0.193 608 E C 2.281 178.637 176.600 -0.408 0.000 0.989 608 E CA 1.249 57.538 56.400 -0.186 0.000 0.800 608 E CB -0.019 29.603 29.700 -0.130 0.000 0.746 608 E HN 0.480 nan 8.360 nan 0.000 0.452 609 A N 0.149 122.605 122.820 -0.607 0.000 1.933 609 A HA -0.159 3.790 4.320 -0.617 0.000 0.218 609 A C 2.341 179.145 177.584 -1.301 0.000 1.175 609 A CA 1.955 53.277 52.037 -1.191 0.000 0.628 609 A CB -0.811 17.061 19.000 -1.880 0.000 0.814 609 A HN 0.299 nan 8.150 nan 0.000 0.444 610 T N -0.964 113.202 114.554 -0.647 0.000 2.821 610 T HA -0.098 3.882 4.350 -0.617 0.000 0.267 610 T C 2.042 176.529 174.700 -0.354 0.000 1.046 610 T CA 1.325 63.215 62.100 -0.350 0.000 1.139 610 T CB -0.186 68.643 68.868 -0.064 0.000 0.871 610 T HN 0.512 nan 8.240 nan 0.000 0.454 611 R N 0.876 121.171 120.500 -0.342 0.000 2.083 611 R HA -0.119 3.851 4.340 -0.617 0.000 0.237 611 R C 2.663 178.792 176.300 -0.284 0.000 1.137 611 R CA 1.570 57.511 56.100 -0.266 0.000 0.951 611 R CB -0.137 30.036 30.300 -0.212 0.000 0.851 611 R HN 0.489 nan 8.270 nan 0.000 0.434 612 Q N -0.778 118.777 119.800 -0.408 0.000 2.050 612 Q HA -0.185 3.785 4.340 -0.617 0.000 0.202 612 Q C 2.013 177.853 176.000 -0.268 0.000 0.980 612 Q CA 1.648 57.230 55.803 -0.369 0.000 0.840 612 Q CB -0.170 28.279 28.738 -0.482 0.000 0.898 612 Q HN 0.293 nan 8.270 nan 0.000 0.424 613 F N 1.029 120.811 119.950 -0.280 0.000 2.126 613 F HA -0.201 3.955 4.527 -0.618 0.000 0.299 613 F C 2.748 178.412 175.800 -0.228 0.000 1.096 613 F CA 1.365 59.210 58.000 -0.258 0.000 1.255 613 F CB -1.365 37.505 39.000 -0.217 0.000 0.997 613 F HN 0.092 nan 8.300 nan 0.000 0.479 614 S N -0.188 115.488 115.700 -0.039 0.000 2.493 614 S HA -0.149 3.951 4.470 -0.617 0.000 0.243 614 S C 1.712 176.237 174.600 -0.125 0.000 0.991 614 S CA 0.763 58.905 58.200 -0.097 0.000 0.957 614 S CB -0.419 62.698 63.200 -0.139 0.000 0.756 614 S HN 0.316 nan 8.310 nan 0.000 0.521 615 K N 0.647 120.967 120.400 -0.133 0.000 2.314 615 K HA 0.261 4.211 4.320 -0.617 0.000 0.198 615 K C 0.741 177.238 176.600 -0.173 0.000 1.045 615 K CA 0.106 56.313 56.287 -0.133 0.000 0.988 615 K CB -0.374 32.056 32.500 -0.118 0.000 0.783 615 K HN 0.521 nan 8.250 nan 0.000 0.484 616 M N 0.588 120.043 119.600 -0.242 0.000 2.250 616 M HA -0.028 4.082 4.480 -0.617 0.000 0.337 616 M C 1.608 177.617 176.300 -0.485 0.000 1.161 616 M CA 0.335 55.366 55.300 -0.449 0.000 1.088 616 M CB 0.398 32.538 32.600 -0.766 0.000 1.639 616 M HN 0.161 nan 8.290 nan 0.000 0.447 617 G N 2.552 111.116 108.800 -0.393 0.000 2.448 617 G HA2 -0.169 3.421 3.960 -0.617 0.000 0.219 617 G HA3 -0.169 3.421 3.960 -0.617 0.000 0.219 617 G C 0.779 175.613 174.900 -0.110 0.000 1.127 617 G CA 0.493 45.485 45.100 -0.180 0.000 0.766 617 G HN 0.819 nan 8.290 nan 0.000 0.552 618 F N -0.005 120.023 119.950 0.131 0.000 2.692 618 F HA 0.594 4.751 4.527 -0.618 0.000 0.303 618 F C -0.030 175.908 175.800 0.231 0.000 1.114 618 F CA -1.467 56.652 58.000 0.198 0.000 1.361 618 F CB -0.399 38.809 39.000 0.347 0.000 1.063 618 F HN -0.188 nan 8.300 nan 0.000 0.550 619 V N 1.514 121.414 119.914 -0.024 0.000 2.435 619 V HA 0.188 3.937 4.120 -0.617 0.000 0.290 619 V C -0.587 175.498 176.094 -0.015 0.000 1.030 619 V CA -0.834 61.491 62.300 0.041 0.000 0.881 619 V CB 1.609 33.394 31.823 -0.064 0.000 0.983 619 V HN 0.066 nan 8.190 nan 0.000 0.445 620 D N 3.868 124.258 120.400 -0.016 0.000 2.453 620 D HA 0.053 4.322 4.640 -0.617 0.000 0.223 620 D C 1.232 177.488 176.300 -0.074 0.000 1.183 620 D CA -0.328 53.634 54.000 -0.063 0.000 0.933 620 D CB 0.723 41.466 40.800 -0.095 0.000 1.038 620 D HN 0.722 nan 8.370 nan 0.000 0.513 621 D N 2.398 122.753 120.400 -0.074 0.000 2.357 621 D HA -0.217 4.052 4.640 -0.617 0.000 0.216 621 D C 0.723 176.981 176.300 -0.070 0.000 0.973 621 D CA 0.556 54.505 54.000 -0.084 0.000 0.912 621 D CB 0.272 41.018 40.800 -0.090 0.000 0.900 621 D HN 0.214 nan 8.370 nan 0.000 0.501 622 K N -0.097 120.272 120.400 -0.051 0.000 2.426 622 K HA 0.172 4.121 4.320 -0.617 0.000 0.193 622 K C 0.538 177.144 176.600 0.010 0.000 1.028 622 K CA 0.115 56.388 56.287 -0.023 0.000 1.047 622 K CB 0.493 32.982 32.500 -0.019 0.000 0.821 622 K HN 0.038 nan 8.250 nan 0.000 0.513 623 R N 0.843 121.333 120.500 -0.017 0.000 2.629 623 R HA 0.378 4.348 4.340 -0.617 0.000 0.277 623 R C -0.943 175.373 176.300 0.026 0.000 1.637 623 R CA -0.096 56.023 56.100 0.032 0.000 1.663 623 R CB 0.569 30.788 30.300 -0.136 0.000 1.228 623 R HN 0.008 nan 8.270 nan 0.000 0.632 624 I N 1.139 121.811 120.570 0.169 0.000 2.433 624 I HA 0.598 4.397 4.170 -0.617 0.000 0.292 624 I C -0.049 176.349 176.117 0.467 0.000 1.001 624 I CA -0.833 60.591 61.300 0.206 0.000 1.119 624 I CB 2.013 39.968 38.000 -0.074 0.000 1.289 624 I HN 0.353 nan 8.210 nan 0.000 0.438 625 A N 6.868 130.066 122.820 0.631 0.000 2.387 625 A HA 0.927 4.877 4.320 -0.617 0.000 0.303 625 A C -1.178 176.785 177.584 0.633 0.000 1.145 625 A CA -0.643 51.751 52.037 0.596 0.000 0.801 625 A CB 2.121 21.370 19.000 0.416 0.000 1.342 625 A HN 0.739 nan 8.150 nan 0.000 0.440 626 I N 0.586 121.446 120.570 0.482 0.000 2.722 626 I HA 0.714 4.513 4.170 -0.617 0.000 0.295 626 I C -1.905 174.476 176.117 0.439 0.000 1.161 626 I CA -0.586 60.943 61.300 0.382 0.000 1.032 626 I CB 1.664 39.656 38.000 -0.013 0.000 1.244 626 I HN 0.931 nan 8.210 nan 0.000 0.421 627 W N 7.093 128.535 121.300 0.236 0.000 3.167 627 W HA 0.861 5.147 4.660 -0.622 0.000 0.324 627 W C -1.471 175.197 176.519 0.247 0.000 1.230 627 W CA -1.032 56.455 57.345 0.236 0.000 1.184 627 W CB 1.149 30.796 29.460 0.312 0.000 1.414 627 W HN 0.831 nan 8.180 nan 0.000 0.551 628 G N 0.969 109.713 108.800 -0.093 0.000 2.601 628 G HA2 0.449 4.038 3.960 -0.617 0.000 0.291 628 G HA3 0.449 4.038 3.960 -0.617 0.000 0.291 628 G C -2.752 172.065 174.900 -0.138 0.000 1.456 628 G CA -0.751 44.103 45.100 -0.411 0.000 0.804 628 G HN 0.591 nan 8.290 nan 0.000 0.499 629 W N 1.045 122.141 121.300 -0.340 0.000 2.666 629 W HA 0.579 4.872 4.660 -0.612 0.000 0.334 629 W C 0.786 177.230 176.519 -0.126 0.000 1.051 629 W CA 0.499 57.732 57.345 -0.188 0.000 1.224 629 W CB 1.649 30.985 29.460 -0.207 0.000 1.405 629 W HN 1.066 nan 8.180 nan 0.000 0.513 630 S N 1.719 117.596 115.700 0.296 0.000 4.116 630 S HA -0.425 3.675 4.470 -0.617 0.000 0.623 630 S C 0.773 175.461 174.600 0.146 0.000 1.933 630 S CA 1.534 59.880 58.200 0.242 0.000 4.224 630 S CB -1.528 61.831 63.200 0.266 0.000 0.208 630 S HN 0.740 nan 8.310 nan 0.000 0.527 631 Y N 3.051 123.394 120.300 0.072 0.000 2.224 631 Y HA 0.014 4.195 4.550 -0.615 0.000 0.289 631 Y C 2.420 178.490 175.900 0.284 0.000 1.146 631 Y CA 2.254 60.495 58.100 0.234 0.000 1.182 631 Y CB -1.012 37.698 38.460 0.417 0.000 0.983 631 Y HN 0.553 nan 8.280 nan 0.000 0.524 632 G N -0.928 108.109 108.800 0.396 0.000 2.432 632 G HA2 -0.240 3.350 3.960 -0.617 0.000 0.219 632 G HA3 -0.240 3.350 3.960 -0.617 0.000 0.219 632 G C 1.883 176.865 174.900 0.137 0.000 1.135 632 G CA 0.782 46.037 45.100 0.258 0.000 0.767 632 G HN 0.577 nan 8.290 nan 0.000 0.550 633 G N -0.384 108.481 108.800 0.109 0.000 2.421 633 G HA2 -0.160 3.430 3.960 -0.617 0.000 0.217 633 G HA3 -0.160 3.430 3.960 -0.617 0.000 0.217 633 G C 1.575 176.528 174.900 0.088 0.000 1.143 633 G CA 0.981 46.125 45.100 0.073 0.000 0.784 633 G HN 0.427 nan 8.290 nan 0.000 0.541 634 Y N 1.348 121.595 120.300 -0.088 0.000 2.163 634 Y HA -0.083 4.095 4.550 -0.620 0.000 0.288 634 Y C 2.693 178.536 175.900 -0.095 0.000 1.136 634 Y CA 1.489 59.480 58.100 -0.181 0.000 1.147 634 Y CB -0.446 37.754 38.460 -0.433 0.000 0.987 634 Y HN 0.019 nan 8.280 nan 0.000 0.509 635 V N -0.172 119.672 119.914 -0.118 0.000 2.295 635 V HA -0.322 3.428 4.120 -0.617 0.000 0.246 635 V C 2.343 178.351 176.094 -0.144 0.000 1.049 635 V CA 2.455 64.668 62.300 -0.145 0.000 1.024 635 V CB -1.156 30.762 31.823 0.159 0.000 0.648 635 V HN 0.498 nan 8.190 nan 0.000 0.447 636 T N -0.106 114.420 114.554 -0.046 0.000 2.699 636 T HA -0.218 3.762 4.350 -0.617 0.000 0.268 636 T C 2.117 176.759 174.700 -0.096 0.000 1.036 636 T CA 2.106 64.177 62.100 -0.048 0.000 1.147 636 T CB -0.262 68.659 68.868 0.088 0.000 0.862 636 T HN 0.531 nan 8.240 nan 0.000 0.446 637 S N 0.820 116.494 115.700 -0.045 0.000 2.368 637 S HA 0.017 4.116 4.470 -0.617 0.000 0.224 637 S C 2.113 176.631 174.600 -0.137 0.000 1.029 637 S CA 0.847 59.036 58.200 -0.018 0.000 0.988 637 S CB -0.237 63.019 63.200 0.093 0.000 0.838 637 S HN 0.314 nan 8.310 nan 0.000 0.462 638 M N 0.997 120.427 119.600 -0.283 0.000 2.159 638 M HA -0.006 4.103 4.480 -0.617 0.000 0.263 638 M C 2.180 178.326 176.300 -0.257 0.000 1.063 638 M CA 0.983 56.104 55.300 -0.298 0.000 1.110 638 M CB -1.412 30.907 32.600 -0.469 0.000 1.374 638 M HN 0.167 nan 8.290 nan 0.000 0.411 639 V N 0.672 120.419 119.914 -0.278 0.000 2.307 639 V HA -0.241 3.508 4.120 -0.617 0.000 0.245 639 V C 2.510 178.390 176.094 -0.356 0.000 1.045 639 V CA 1.403 63.525 62.300 -0.296 0.000 1.024 639 V CB -0.621 30.947 31.823 -0.425 0.000 0.651 639 V HN 0.399 nan 8.190 nan 0.000 0.449 640 L N 0.406 121.344 121.223 -0.474 0.000 2.191 640 L HA -0.073 3.897 4.340 -0.617 0.000 0.212 640 L C 2.310 178.648 176.870 -0.887 0.000 1.103 640 L CA 1.535 55.994 54.840 -0.635 0.000 0.769 640 L CB -0.843 40.740 42.059 -0.794 0.000 0.908 640 L HN 0.492 nan 8.230 nan 0.000 0.438 641 G N -1.127 107.176 108.800 -0.829 0.000 2.985 641 G HA2 0.141 3.730 3.960 -0.617 0.000 0.209 641 G HA3 0.141 3.730 3.960 -0.617 0.000 0.209 641 G C 1.532 176.296 174.900 -0.227 0.000 1.165 641 G CA 0.522 45.292 45.100 -0.550 0.000 0.776 641 G HN 0.393 nan 8.290 nan 0.000 0.541 642 A N 0.016 122.712 122.820 -0.207 0.000 2.119 642 A HA 0.430 4.380 4.320 -0.617 0.000 0.216 642 A C 2.131 179.677 177.584 -0.064 0.000 1.152 642 A CA 1.321 53.300 52.037 -0.097 0.000 0.708 642 A CB -0.414 18.547 19.000 -0.065 0.000 0.805 642 A HN 1.440 nan 8.150 nan 0.000 0.460 643 G N -0.140 108.608 108.800 -0.087 0.000 2.198 643 G HA2 -0.298 3.292 3.960 -0.617 0.000 0.260 643 G HA3 -0.298 3.292 3.960 -0.617 0.000 0.260 643 G C 0.982 175.876 174.900 -0.010 0.000 1.025 643 G CA 1.272 46.344 45.100 -0.046 0.000 0.769 643 G HN 1.453 nan 8.290 nan 0.000 0.507 644 S N -0.905 114.802 115.700 0.012 0.000 2.522 644 S HA 0.334 4.434 4.470 -0.617 0.000 0.227 644 S C 2.427 177.044 174.600 0.028 0.000 0.986 644 S CA 1.373 59.594 58.200 0.035 0.000 0.929 644 S CB -0.082 63.168 63.200 0.083 0.000 0.769 644 S HN 2.351 nan 8.310 nan 0.000 0.529 645 G N 0.295 109.115 108.800 0.033 0.000 2.175 645 G HA2 -0.294 3.296 3.960 -0.617 0.000 0.265 645 G HA3 -0.294 3.296 3.960 -0.617 0.000 0.265 645 G C 0.708 175.612 174.900 0.006 0.000 0.979 645 G CA 0.485 45.597 45.100 0.020 0.000 0.663 645 G HN 0.687 nan 8.290 nan 0.000 0.533 646 V N -0.888 119.035 119.914 0.014 0.000 2.725 646 V HA 0.324 4.073 4.120 -0.617 0.000 0.247 646 V C 0.982 176.906 176.094 -0.282 0.000 1.058 646 V CA 1.228 63.429 62.300 -0.163 0.000 1.080 646 V CB -0.257 31.398 31.823 -0.280 0.000 0.713 646 V HN 0.282 nan 8.190 nan 0.000 0.465 647 F N -0.029 119.936 119.950 0.026 0.000 2.458 647 F HA 0.431 4.589 4.527 -0.615 0.000 0.336 647 F C 1.061 176.903 175.800 0.070 0.000 1.114 647 F CA -0.807 57.234 58.000 0.068 0.000 0.987 647 F CB 1.546 40.590 39.000 0.073 0.000 1.130 647 F HN -0.263 nan 8.300 nan 0.000 0.458 648 K N 1.625 122.180 120.400 0.258 0.000 2.116 648 K HA 0.053 4.003 4.320 -0.617 0.000 0.203 648 K C -0.019 176.702 176.600 0.202 0.000 1.052 648 K CA 1.093 57.496 56.287 0.193 0.000 0.952 648 K CB 0.211 32.825 32.500 0.189 0.000 0.729 648 K HN 0.816 nan 8.250 nan 0.000 0.446 649 c N -3.529 115.231 118.600 0.267 0.000 3.295 649 c HA 0.884 5.084 4.570 -0.617 0.000 0.341 649 c C -0.289 174.021 174.090 0.366 0.000 1.418 649 c CA -0.543 55.963 56.329 0.295 0.000 1.240 649 c CB 1.093 43.721 42.510 0.197 0.000 1.562 649 c HN 0.353 nan 8.230 nan 0.000 0.457 650 G N -0.206 108.875 108.800 0.469 0.000 2.547 650 G HA2 0.685 4.274 3.960 -0.617 0.000 0.291 650 G HA3 0.685 4.274 3.960 -0.617 0.000 0.291 650 G C -2.081 173.054 174.900 0.391 0.000 1.471 650 G CA -0.679 44.672 45.100 0.419 0.000 0.798 650 G HN 1.065 nan 8.290 nan 0.000 0.504 651 I N 0.657 121.415 120.570 0.315 0.000 2.466 651 I HA 0.619 4.419 4.170 -0.617 0.000 0.289 651 I C 0.188 176.424 176.117 0.198 0.000 1.026 651 I CA -0.975 60.390 61.300 0.108 0.000 1.078 651 I CB 2.241 40.278 38.000 0.062 0.000 1.249 651 I HN 0.677 nan 8.210 nan 0.000 0.429 652 A N 6.473 129.317 122.820 0.039 0.000 2.287 652 A HA 0.773 4.723 4.320 -0.617 0.000 0.317 652 A C -0.669 176.831 177.584 -0.141 0.000 1.220 652 A CA -0.513 51.554 52.037 0.051 0.000 0.835 652 A CB 1.041 20.145 19.000 0.173 0.000 1.180 652 A HN 0.455 nan 8.150 nan 0.000 0.500 653 V N 2.247 122.025 119.914 -0.227 0.000 2.357 653 V HA 0.558 4.308 4.120 -0.617 0.000 0.284 653 V C 0.910 176.599 176.094 -0.676 0.000 1.018 653 V CA 0.333 62.275 62.300 -0.597 0.000 0.841 653 V CB 0.613 31.760 31.823 -1.127 0.000 0.991 653 V HN 2.080 nan 8.190 nan 0.000 0.437 654 A N 5.702 128.119 122.820 -0.672 0.000 2.560 654 A HA -0.102 3.848 4.320 -0.617 0.000 0.299 654 A C -1.755 175.664 177.584 -0.275 0.000 1.484 654 A CA 0.439 51.982 52.037 -0.824 0.000 0.749 654 A CB -1.526 17.130 19.000 -0.574 0.000 1.072 654 A HN 0.619 nan 8.150 nan 0.000 0.426 655 P HA 0.446 nan 4.420 nan 0.000 0.281 655 P C 0.149 177.408 177.300 -0.069 0.000 1.249 655 P CA -0.273 62.800 63.100 -0.045 0.000 0.810 655 P CB 1.462 33.169 31.700 0.012 0.000 1.008 656 V N 2.371 122.147 119.914 -0.229 0.000 2.686 656 V HA 0.063 3.812 4.120 -0.617 0.000 0.295 656 V C 1.740 177.657 176.094 -0.294 0.000 1.055 656 V CA 0.952 62.979 62.300 -0.456 0.000 1.050 656 V CB 0.793 31.921 31.823 -1.159 0.000 0.984 656 V HN 0.833 nan 8.190 nan 0.000 0.482 657 S N 2.900 118.474 115.700 -0.208 0.000 2.554 657 S HA 0.281 4.380 4.470 -0.617 0.000 0.227 657 S C 0.340 174.828 174.600 -0.187 0.000 1.050 657 S CA -0.228 57.920 58.200 -0.087 0.000 0.927 657 S CB 0.261 63.460 63.200 -0.001 0.000 0.859 657 S HN 0.662 nan 8.310 nan 0.000 0.494 658 K N -0.441 119.756 120.400 -0.338 0.000 2.565 658 K HA 0.328 4.277 4.320 -0.617 0.000 0.251 658 K C -1.007 175.326 176.600 -0.444 0.000 0.956 658 K CA -0.718 55.298 56.287 -0.452 0.000 0.809 658 K CB 0.725 32.802 32.500 -0.705 0.000 1.267 658 K HN 0.135 nan 8.250 nan 0.000 0.438 659 W N 2.148 123.400 121.300 -0.080 0.000 2.392 659 W HA -0.085 4.210 4.660 -0.608 0.000 0.279 659 W C 1.148 177.807 176.519 0.233 0.000 1.225 659 W CA 0.749 58.135 57.345 0.068 0.000 1.233 659 W CB 0.273 29.724 29.460 -0.015 0.000 1.122 659 W HN 0.742 nan 8.180 nan 0.000 0.561 660 E N -0.950 119.436 120.200 0.310 0.000 2.409 660 E HA -0.191 3.788 4.350 -0.617 0.000 0.198 660 E C 1.182 177.909 176.600 0.212 0.000 1.024 660 E CA 0.768 57.278 56.400 0.182 0.000 0.861 660 E CB -0.234 29.451 29.700 -0.025 0.000 0.788 660 E HN 0.393 nan 8.360 nan 0.000 0.521 661 Y N -1.491 118.910 120.300 0.168 0.000 2.510 661 Y HA 0.066 4.258 4.550 -0.596 0.000 0.273 661 Y C 0.761 176.759 175.900 0.164 0.000 1.119 661 Y CA -0.375 57.785 58.100 0.101 0.000 1.286 661 Y CB -0.341 38.124 38.460 0.009 0.000 1.061 661 Y HN 0.019 nan 8.280 nan 0.000 0.542 662 Y N 2.147 122.599 120.300 0.253 0.000 2.340 662 Y HA 0.259 4.435 4.550 -0.623 0.000 0.327 662 Y C 0.368 176.482 175.900 0.356 0.000 1.321 662 Y CA -1.972 56.282 58.100 0.257 0.000 1.433 662 Y CB 0.261 38.910 38.460 0.314 0.000 1.373 662 Y HN 0.203 nan 8.280 nan 0.000 0.538 663 D N -0.535 119.554 120.400 -0.519 0.000 2.362 663 D HA 0.093 4.363 4.640 -0.617 0.000 0.242 663 D C 1.020 177.281 176.300 -0.065 0.000 1.132 663 D CA 0.361 54.160 54.000 -0.335 0.000 0.907 663 D CB 0.887 41.261 40.800 -0.709 0.000 1.195 663 D HN 0.483 nan 8.370 nan 0.000 0.429 664 S N 1.415 117.099 115.700 -0.028 0.000 2.359 664 S HA -0.252 3.847 4.470 -0.617 0.000 0.223 664 S C 1.871 176.494 174.600 0.037 0.000 1.039 664 S CA 1.373 59.606 58.200 0.054 0.000 1.042 664 S CB -1.049 62.187 63.200 0.060 0.000 0.915 664 S HN 0.429 nan 8.310 nan 0.000 0.439 665 V N 0.922 120.796 119.914 -0.067 0.000 2.233 665 V HA -0.172 3.578 4.120 -0.617 0.000 0.247 665 V C 2.326 178.352 176.094 -0.114 0.000 1.050 665 V CA 2.305 64.491 62.300 -0.189 0.000 1.010 665 V CB -1.138 30.407 31.823 -0.463 0.000 0.637 665 V HN 0.622 nan 8.190 nan 0.000 0.444 666 Y N 1.248 121.483 120.300 -0.108 0.000 2.133 666 Y HA -0.246 3.935 4.550 -0.614 0.000 0.287 666 Y C 2.724 178.639 175.900 0.025 0.000 1.134 666 Y CA 2.382 60.503 58.100 0.034 0.000 1.133 666 Y CB -0.648 38.020 38.460 0.347 0.000 0.987 666 Y HN 0.238 nan 8.280 nan 0.000 0.502 667 T N 0.329 115.138 114.554 0.424 0.000 2.652 667 T HA -0.214 3.765 4.350 -0.617 0.000 0.267 667 T C 1.604 176.290 174.700 -0.023 0.000 1.039 667 T CA 1.955 64.236 62.100 0.302 0.000 1.153 667 T CB -0.336 68.834 68.868 0.504 0.000 0.863 667 T HN 0.438 nan 8.240 nan 0.000 0.428 668 E N 0.461 120.667 120.200 0.009 0.000 2.204 668 E HA -0.110 3.869 4.350 -0.617 0.000 0.195 668 E C 2.361 178.834 176.600 -0.212 0.000 0.990 668 E CA 0.541 56.928 56.400 -0.023 0.000 0.821 668 E CB -0.119 29.611 29.700 0.050 0.000 0.750 668 E HN 0.307 nan 8.360 nan 0.000 0.477 669 R N -0.055 120.173 120.500 -0.453 0.000 2.117 669 R HA -0.206 3.764 4.340 -0.617 0.000 0.243 669 R C 1.303 177.095 176.300 -0.847 0.000 1.143 669 R CA 1.690 57.350 56.100 -0.732 0.000 0.968 669 R CB -0.023 29.538 30.300 -1.231 0.000 0.863 669 R HN 0.247 nan 8.270 nan 0.000 0.444 670 Y N -2.525 117.488 120.300 -0.478 0.000 2.524 670 Y HA 0.215 4.394 4.550 -0.619 0.000 0.270 670 Y C 1.616 177.314 175.900 -0.336 0.000 1.094 670 Y CA 0.022 57.834 58.100 -0.479 0.000 1.276 670 Y CB 0.404 38.448 38.460 -0.693 0.000 1.130 670 Y HN -0.036 nan 8.280 nan 0.000 0.536 671 M N -0.276 119.190 119.600 -0.222 0.000 2.313 671 M HA 0.372 4.482 4.480 -0.617 0.000 0.273 671 M C 1.049 177.334 176.300 -0.025 0.000 1.049 671 M CA 0.648 55.803 55.300 -0.241 0.000 1.004 671 M CB -0.426 31.809 32.600 -0.608 0.000 1.461 671 M HN 0.328 nan 8.290 nan 0.000 0.514 672 G N 1.868 110.673 108.800 0.009 0.000 2.645 672 G HA2 -0.249 3.341 3.960 -0.617 0.000 0.246 672 G HA3 -0.249 3.341 3.960 -0.617 0.000 0.246 672 G C -0.464 174.556 174.900 0.199 0.000 1.322 672 G CA -0.703 44.442 45.100 0.075 0.000 0.898 672 G HN 0.370 nan 8.290 nan 0.000 0.573 673 L N 1.881 123.187 121.223 0.139 0.000 2.334 673 L HA 0.409 4.379 4.340 -0.617 0.000 0.277 673 L C -1.327 175.541 176.870 -0.005 0.000 1.075 673 L CA -1.774 53.112 54.840 0.078 0.000 0.804 673 L CB 1.842 43.908 42.059 0.012 0.000 1.174 673 L HN 0.454 nan 8.230 nan 0.000 0.438 674 P HA 0.037 nan 4.420 nan 0.000 0.228 674 P C -0.429 176.727 177.300 -0.239 0.000 1.748 674 P CA -0.067 62.640 63.100 -0.656 0.000 0.909 674 P CB -0.576 30.414 31.700 -1.185 0.000 1.882 675 T N -3.121 111.379 114.554 -0.090 0.000 2.912 675 T HA 0.440 4.419 4.350 -0.617 0.000 0.288 675 T C -1.925 172.776 174.700 0.002 0.000 1.030 675 T CA -2.443 59.631 62.100 -0.042 0.000 1.020 675 T CB 1.998 70.849 68.868 -0.029 0.000 1.056 675 T HN -0.201 nan 8.240 nan 0.000 0.480 676 P HA -0.078 nan 4.420 nan 0.000 0.219 676 P C 0.677 177.994 177.300 0.028 0.000 1.146 676 P CA 1.089 64.205 63.100 0.026 0.000 0.808 676 P CB 0.139 31.850 31.700 0.019 0.000 0.779 677 E N -0.785 119.425 120.200 0.016 0.000 2.347 677 E HA -0.079 3.901 4.350 -0.617 0.000 0.196 677 E C 1.473 178.084 176.600 0.018 0.000 1.008 677 E CA 0.756 57.164 56.400 0.014 0.000 0.852 677 E CB -0.302 29.401 29.700 0.004 0.000 0.783 677 E HN 0.326 nan 8.360 nan 0.000 0.505 678 D N -0.475 119.942 120.400 0.029 0.000 3.066 678 D HA 0.088 4.358 4.640 -0.617 0.000 0.225 678 D C 0.188 176.527 176.300 0.065 0.000 1.397 678 D CA 0.005 54.028 54.000 0.037 0.000 1.344 678 D CB -0.114 40.709 40.800 0.039 0.000 0.934 678 D HN 0.002 nan 8.370 nan 0.000 0.202 679 N N 0.197 118.970 118.700 0.121 0.000 2.291 679 N HA 0.050 4.419 4.740 -0.617 0.000 0.244 679 N C 1.279 176.987 175.510 0.330 0.000 1.216 679 N CA -0.133 53.031 53.050 0.190 0.000 0.879 679 N CB 0.748 39.340 38.487 0.176 0.000 1.167 679 N HN 0.007 nan 8.380 nan 0.000 0.515 680 L N 1.218 122.569 121.223 0.213 0.000 2.043 680 L HA -0.193 3.777 4.340 -0.617 0.000 0.212 680 L C 1.493 178.506 176.870 0.238 0.000 1.075 680 L CA 1.974 56.925 54.840 0.186 0.000 0.752 680 L CB -0.437 41.660 42.059 0.063 0.000 0.891 680 L HN 0.195 nan 8.230 nan 0.000 0.432 681 D N -1.299 119.234 120.400 0.222 0.000 2.123 681 D HA -0.241 4.028 4.640 -0.617 0.000 0.196 681 D C 1.990 178.393 176.300 0.173 0.000 0.992 681 D CA 1.628 55.738 54.000 0.183 0.000 0.833 681 D CB -0.248 40.666 40.800 0.189 0.000 0.954 681 D HN 0.442 nan 8.370 nan 0.000 0.455 682 Y N -0.825 119.536 120.300 0.102 0.000 2.561 682 Y HA -0.049 4.131 4.550 -0.618 0.000 0.291 682 Y C 1.838 177.788 175.900 0.084 0.000 1.141 682 Y CA 0.186 58.321 58.100 0.058 0.000 1.303 682 Y CB -0.337 38.116 38.460 -0.012 0.000 1.015 682 Y HN 0.065 nan 8.280 nan 0.000 0.547 683 Y N -0.790 119.615 120.300 0.175 0.000 2.269 683 Y HA -0.062 4.116 4.550 -0.619 0.000 0.294 683 Y C 2.394 178.359 175.900 0.109 0.000 1.120 683 Y CA 1.067 59.264 58.100 0.163 0.000 1.159 683 Y CB -0.022 38.511 38.460 0.123 0.000 1.024 683 Y HN -0.142 nan 8.280 nan 0.000 0.532 684 R N 0.394 121.035 120.500 0.235 0.000 2.090 684 R HA -0.104 3.866 4.340 -0.617 0.000 0.228 684 R C 1.356 177.692 176.300 0.060 0.000 1.110 684 R CA 1.365 57.533 56.100 0.113 0.000 0.973 684 R CB -0.254 30.089 30.300 0.072 0.000 0.869 684 R HN 0.390 nan 8.270 nan 0.000 0.440 685 N N -0.126 118.587 118.700 0.021 0.000 2.268 685 N HA -0.047 4.322 4.740 -0.617 0.000 0.204 685 N C 0.189 175.704 175.510 0.009 0.000 1.124 685 N CA 0.402 53.437 53.050 -0.024 0.000 0.838 685 N CB 0.593 39.014 38.487 -0.110 0.000 0.994 685 N HN 0.010 nan 8.380 nan 0.000 0.489 686 S N -1.232 114.525 115.700 0.095 0.000 2.575 686 S HA 0.084 4.184 4.470 -0.617 0.000 0.237 686 S C 0.534 175.275 174.600 0.236 0.000 0.975 686 S CA -0.469 57.847 58.200 0.194 0.000 0.960 686 S CB -0.703 62.682 63.200 0.310 0.000 0.822 686 S HN 0.345 nan 8.310 nan 0.000 0.472 687 T N -1.104 113.521 114.554 0.118 0.000 2.904 687 T HA 0.479 4.459 4.350 -0.617 0.000 0.290 687 T C 1.321 176.054 174.700 0.055 0.000 1.018 687 T CA -0.574 61.563 62.100 0.062 0.000 1.075 687 T CB 1.304 70.166 68.868 -0.009 0.000 0.986 687 T HN -0.037 nan 8.240 nan 0.000 0.523 688 V N 2.136 122.074 119.914 0.040 0.000 2.453 688 V HA -0.113 3.637 4.120 -0.617 0.000 0.247 688 V C 2.596 178.663 176.094 -0.044 0.000 1.048 688 V CA 1.523 63.823 62.300 -0.001 0.000 1.049 688 V CB -0.951 30.858 31.823 -0.023 0.000 0.672 688 V HN 0.831 nan 8.190 nan 0.000 0.457 689 M N 1.140 120.700 119.600 -0.065 0.000 2.267 689 M HA -0.152 3.958 4.480 -0.617 0.000 0.263 689 M C 2.306 178.579 176.300 -0.045 0.000 1.063 689 M CA 1.981 57.229 55.300 -0.086 0.000 1.090 689 M CB -0.936 31.628 32.600 -0.060 0.000 1.392 689 M HN 0.530 nan 8.290 nan 0.000 0.422 690 S N -0.024 115.667 115.700 -0.015 0.000 2.474 690 S HA -0.075 4.024 4.470 -0.617 0.000 0.235 690 S C 1.722 176.331 174.600 0.015 0.000 0.997 690 S CA 0.638 58.838 58.200 -0.001 0.000 0.949 690 S CB -0.357 62.846 63.200 0.004 0.000 0.766 690 S HN 0.563 nan 8.310 nan 0.000 0.517 691 R N 0.463 120.986 120.500 0.039 0.000 2.427 691 R HA 0.465 4.435 4.340 -0.617 0.000 0.262 691 R C 2.102 178.508 176.300 0.177 0.000 0.943 691 R CA 0.404 56.558 56.100 0.091 0.000 1.081 691 R CB -0.201 30.160 30.300 0.102 0.000 1.166 691 R HN 0.460 nan 8.270 nan 0.000 0.534 692 A N 1.794 124.651 122.820 0.062 0.000 1.903 692 A HA -0.308 3.641 4.320 -0.617 0.000 0.219 692 A C 2.045 179.702 177.584 0.121 0.000 1.191 692 A CA 2.007 54.044 52.037 0.000 0.000 0.638 692 A CB -0.301 18.644 19.000 -0.092 0.000 0.823 692 A HN 0.264 nan 8.150 nan 0.000 0.451 693 E N 0.303 120.555 120.200 0.087 0.000 2.130 693 E HA -0.192 3.788 4.350 -0.617 0.000 0.196 693 E C 1.680 178.345 176.600 0.108 0.000 0.998 693 E CA 1.826 58.276 56.400 0.083 0.000 0.806 693 E CB -0.528 29.203 29.700 0.051 0.000 0.738 693 E HN 0.792 nan 8.360 nan 0.000 0.459 694 N N -1.240 117.525 118.700 0.109 0.000 2.520 694 N HA -0.107 4.263 4.740 -0.617 0.000 0.185 694 N C 0.651 176.166 175.510 0.009 0.000 1.068 694 N CA 0.202 53.274 53.050 0.037 0.000 0.911 694 N CB -0.104 38.361 38.487 -0.038 0.000 0.961 694 N HN 0.144 nan 8.380 nan 0.000 0.446 695 F N 1.278 121.190 119.950 -0.063 0.000 2.748 695 F HA 0.073 4.233 4.527 -0.611 0.000 0.299 695 F C 1.827 177.639 175.800 0.021 0.000 1.154 695 F CA 0.536 58.497 58.000 -0.064 0.000 1.446 695 F CB 0.066 38.981 39.000 -0.141 0.000 1.112 695 F HN -0.101 nan 8.300 nan 0.000 0.584 696 K N -0.004 120.504 120.400 0.181 0.000 2.362 696 K HA -0.154 3.795 4.320 -0.617 0.000 0.200 696 K C 1.463 178.125 176.600 0.103 0.000 1.046 696 K CA 0.921 57.292 56.287 0.141 0.000 0.952 696 K CB -0.182 32.381 32.500 0.104 0.000 0.753 696 K HN 0.434 nan 8.250 nan 0.000 0.466 697 Q N 0.299 120.139 119.800 0.067 0.000 2.392 697 Q HA 0.021 3.991 4.340 -0.617 0.000 0.203 697 Q C 0.537 176.569 176.000 0.053 0.000 0.917 697 Q CA 0.113 55.942 55.803 0.044 0.000 0.939 697 Q CB 0.664 29.408 28.738 0.010 0.000 1.063 697 Q HN 0.126 nan 8.270 nan 0.000 0.516 698 V N -3.218 116.738 119.914 0.070 0.000 3.158 698 V HA 0.484 4.233 4.120 -0.617 0.000 0.311 698 V C -1.235 174.982 176.094 0.205 0.000 1.181 698 V CA -1.291 61.071 62.300 0.105 0.000 1.054 698 V CB 2.247 34.087 31.823 0.028 0.000 1.085 698 V HN -0.054 nan 8.190 nan 0.000 0.446 699 E N 1.169 121.520 120.200 0.251 0.000 2.109 699 E HA 0.464 4.444 4.350 -0.617 0.000 0.278 699 E C -1.902 175.057 176.600 0.600 0.000 0.954 699 E CA -0.362 56.255 56.400 0.361 0.000 0.779 699 E CB 1.793 31.617 29.700 0.207 0.000 1.093 699 E HN 0.671 nan 8.360 nan 0.000 0.401 700 Y N 3.350 123.917 120.300 0.446 0.000 2.393 700 Y HA 0.452 4.633 4.550 -0.615 0.000 0.341 700 Y C -1.447 174.550 175.900 0.163 0.000 0.988 700 Y CA -1.275 57.035 58.100 0.350 0.000 1.078 700 Y CB 1.033 39.738 38.460 0.409 0.000 1.203 700 Y HN 0.434 nan 8.280 nan 0.000 0.453 701 L N 7.936 128.894 121.223 -0.442 0.000 2.343 701 L HA 0.481 4.451 4.340 -0.617 0.000 0.278 701 L C -1.906 174.502 176.870 -0.771 0.000 0.996 701 L CA -1.120 53.292 54.840 -0.714 0.000 0.831 701 L CB 1.405 42.728 42.059 -1.226 0.000 1.232 701 L HN 0.680 nan 8.230 nan 0.000 0.413 702 L N 6.671 127.528 121.223 -0.610 0.000 2.305 702 L HA 0.607 4.577 4.340 -0.617 0.000 0.284 702 L C -0.909 175.822 176.870 -0.231 0.000 1.013 702 L CA 0.010 54.546 54.840 -0.505 0.000 0.819 702 L CB 1.361 43.171 42.059 -0.415 0.000 1.227 702 L HN 0.422 nan 8.230 nan 0.000 0.417 703 I N 4.951 125.399 120.570 -0.203 0.000 2.509 703 I HA 0.485 4.285 4.170 -0.617 0.000 0.293 703 I C -0.937 175.164 176.117 -0.027 0.000 1.020 703 I CA -0.705 60.531 61.300 -0.107 0.000 1.088 703 I CB 1.742 39.639 38.000 -0.172 0.000 1.267 703 I HN 0.552 nan 8.210 nan 0.000 0.430 704 H N 3.007 122.123 119.070 0.076 0.000 3.086 704 H HA 0.380 4.585 4.556 -0.584 0.000 0.353 704 H C -0.722 174.823 175.328 0.363 0.000 1.134 704 H CA -0.580 55.568 56.048 0.166 0.000 1.248 704 H CB 2.455 32.280 29.762 0.106 0.000 1.878 704 H HN 0.751 nan 8.280 nan 0.000 0.527 705 G N 1.150 110.304 108.800 0.591 0.000 2.370 705 G HA2 0.211 3.801 3.960 -0.617 0.000 0.272 705 G HA3 0.211 3.801 3.960 -0.617 0.000 0.272 705 G C 1.129 176.280 174.900 0.418 0.000 1.208 705 G CA 0.219 45.600 45.100 0.469 0.000 0.856 705 G HN 0.659 nan 8.290 nan 0.000 0.500 706 T N -0.510 114.129 114.554 0.143 0.000 2.962 706 T HA 0.050 4.030 4.350 -0.617 0.000 0.270 706 T C 1.681 176.315 174.700 -0.110 0.000 1.088 706 T CA 1.278 63.247 62.100 -0.219 0.000 1.127 706 T CB 0.147 68.803 68.868 -0.353 0.000 0.883 706 T HN 0.692 nan 8.240 nan 0.000 0.493 707 A N 1.065 123.918 122.820 0.055 0.000 2.708 707 A HA 0.313 4.263 4.320 -0.617 0.000 0.293 707 A C 0.347 177.906 177.584 -0.041 0.000 1.303 707 A CA -0.532 51.530 52.037 0.041 0.000 0.949 707 A CB -0.288 19.020 19.000 0.513 0.000 1.121 707 A HN 0.381 nan 8.150 nan 0.000 0.542 708 D N 1.457 121.839 120.400 -0.029 0.000 2.338 708 D HA 0.001 4.271 4.640 -0.617 0.000 0.255 708 D C 0.323 176.606 176.300 -0.028 0.000 1.237 708 D CA 0.102 54.199 54.000 0.161 0.000 0.883 708 D CB 0.744 41.801 40.800 0.429 0.000 1.087 708 D HN 0.571 nan 8.370 nan 0.000 0.485 709 D N 2.416 122.870 120.400 0.089 0.000 2.348 709 D HA -0.131 4.139 4.640 -0.617 0.000 0.211 709 D C 0.923 177.256 176.300 0.056 0.000 0.998 709 D CA -0.105 53.914 54.000 0.032 0.000 0.873 709 D CB 0.451 41.229 40.800 -0.037 0.000 0.925 709 D HN 0.213 nan 8.370 nan 0.000 0.524 710 N N 0.914 119.719 118.700 0.175 0.000 2.335 710 N HA -0.049 4.320 4.740 -0.617 0.000 0.197 710 N C -0.027 175.440 175.510 -0.073 0.000 1.045 710 N CA 0.520 53.685 53.050 0.192 0.000 0.928 710 N CB 0.307 38.843 38.487 0.082 0.000 1.118 710 N HN -0.103 nan 8.380 nan 0.000 0.471 711 V N 2.939 122.816 119.914 -0.061 0.000 2.320 711 V HA 0.192 3.941 4.120 -0.617 0.000 0.265 711 V C -0.516 175.631 176.094 0.087 0.000 1.048 711 V CA -0.408 61.895 62.300 0.005 0.000 0.865 711 V CB -0.349 31.522 31.823 0.080 0.000 1.043 711 V HN 0.302 nan 8.190 nan 0.000 0.474 712 H N 3.530 122.573 119.070 -0.045 0.000 2.897 712 H HA -0.026 4.157 4.556 -0.621 0.000 0.347 712 H C 0.818 175.982 175.328 -0.274 0.000 1.068 712 H CA -0.056 55.877 56.048 -0.191 0.000 1.426 712 H CB 0.726 30.290 29.762 -0.330 0.000 1.410 712 H HN 0.647 nan 8.280 nan 0.000 0.597 713 F N 2.333 122.050 119.950 -0.389 0.000 2.147 713 F HA -0.330 4.102 4.527 -0.158 0.000 0.301 713 F C 2.589 178.096 175.800 -0.488 0.000 1.084 713 F CA 1.915 59.483 58.000 -0.720 0.000 1.268 713 F CB -0.208 38.551 39.000 -0.401 0.000 1.009 713 F HN 0.674 nan 8.300 nan 0.000 0.486 714 Q N 0.154 119.812 119.800 -0.237 0.000 2.197 714 Q HA -0.327 3.643 4.340 -0.617 0.000 0.211 714 Q C 2.069 177.801 176.000 -0.447 0.000 0.993 714 Q CA 2.351 57.957 55.803 -0.327 0.000 0.883 714 Q CB -0.367 28.160 28.738 -0.351 0.000 0.916 714 Q HN 0.619 nan 8.270 nan 0.000 0.418 715 Q N -0.440 119.136 119.800 -0.374 0.000 2.084 715 Q HA -0.113 3.856 4.340 -0.617 0.000 0.202 715 Q C 2.244 178.127 176.000 -0.196 0.000 0.978 715 Q CA 1.687 57.377 55.803 -0.187 0.000 0.844 715 Q CB -0.052 28.675 28.738 -0.019 0.000 0.898 715 Q HN 0.331 nan 8.270 nan 0.000 0.426 716 S N 0.559 116.041 115.700 -0.363 0.000 2.414 716 S HA 0.003 4.103 4.470 -0.617 0.000 0.227 716 S C 2.027 176.369 174.600 -0.429 0.000 1.022 716 S CA 0.681 58.673 58.200 -0.347 0.000 0.958 716 S CB -0.056 62.927 63.200 -0.361 0.000 0.797 716 S HN 0.458 nan 8.310 nan 0.000 0.493 717 A N 1.496 123.951 122.820 -0.608 0.000 1.902 717 A HA -0.143 3.807 4.320 -0.617 0.000 0.217 717 A C 2.137 179.605 177.584 -0.195 0.000 1.181 717 A CA 1.192 52.999 52.037 -0.383 0.000 0.623 717 A CB -0.469 18.352 19.000 -0.298 0.000 0.818 717 A HN 0.364 nan 8.150 nan 0.000 0.443 718 Q N -1.112 118.577 119.800 -0.185 0.000 2.123 718 Q HA -0.101 3.869 4.340 -0.617 0.000 0.199 718 Q C 2.095 178.053 176.000 -0.070 0.000 0.966 718 Q CA 1.276 57.032 55.803 -0.077 0.000 0.845 718 Q CB -0.445 28.299 28.738 0.009 0.000 0.907 718 Q HN 0.605 nan 8.270 nan 0.000 0.439 719 L N 1.072 122.230 121.223 -0.108 0.000 2.072 719 L HA -0.111 3.858 4.340 -0.617 0.000 0.205 719 L C 2.335 179.068 176.870 -0.229 0.000 1.079 719 L CA 2.184 56.928 54.840 -0.160 0.000 0.752 719 L CB -0.899 41.066 42.059 -0.157 0.000 0.906 719 L HN 0.187 nan 8.230 nan 0.000 0.436 720 S N -0.790 114.805 115.700 -0.174 0.000 2.368 720 S HA -0.287 3.813 4.470 -0.617 0.000 0.225 720 S C 2.146 176.746 174.600 -0.000 0.000 1.030 720 S CA 1.421 59.569 58.200 -0.086 0.000 0.999 720 S CB -0.683 62.596 63.200 0.132 0.000 0.844 720 S HN 0.568 nan 8.310 nan 0.000 0.459 721 K N 1.661 122.050 120.400 -0.018 0.000 2.057 721 K HA 0.010 3.960 4.320 -0.617 0.000 0.207 721 K C 2.291 178.880 176.600 -0.017 0.000 1.049 721 K CA 1.187 57.476 56.287 0.005 0.000 0.931 721 K CB -0.658 31.837 32.500 -0.008 0.000 0.714 721 K HN 0.458 nan 8.250 nan 0.000 0.440 722 A N 1.069 123.849 122.820 -0.067 0.000 1.930 722 A HA -0.086 3.864 4.320 -0.617 0.000 0.217 722 A C 2.086 179.609 177.584 -0.102 0.000 1.175 722 A CA 1.142 53.133 52.037 -0.076 0.000 0.627 722 A CB -0.535 18.405 19.000 -0.099 0.000 0.815 722 A HN 0.310 nan 8.150 nan 0.000 0.443 723 L N -0.640 120.464 121.223 -0.197 0.000 2.017 723 L HA -0.162 3.808 4.340 -0.617 0.000 0.208 723 L C 2.545 179.437 176.870 0.036 0.000 1.073 723 L CA 1.129 55.832 54.840 -0.228 0.000 0.745 723 L CB -0.633 41.006 42.059 -0.701 0.000 0.894 723 L HN 0.242 nan 8.230 nan 0.000 0.432 724 V N -0.126 119.873 119.914 0.142 0.000 2.343 724 V HA -0.301 3.449 4.120 -0.617 0.000 0.247 724 V C 2.082 178.229 176.094 0.087 0.000 1.051 724 V CA 1.935 64.342 62.300 0.179 0.000 1.036 724 V CB -0.528 31.391 31.823 0.159 0.000 0.654 724 V HN 0.441 nan 8.190 nan 0.000 0.451 725 D N 0.447 120.875 120.400 0.046 0.000 2.221 725 D HA -0.109 4.161 4.640 -0.617 0.000 0.204 725 D C 1.966 178.283 176.300 0.028 0.000 0.982 725 D CA 1.544 55.562 54.000 0.029 0.000 0.857 725 D CB -0.183 40.625 40.800 0.012 0.000 0.934 725 D HN 0.490 nan 8.370 nan 0.000 0.475 726 A N -0.330 122.506 122.820 0.026 0.000 2.251 726 A HA 0.399 4.348 4.320 -0.617 0.000 0.209 726 A C 1.689 179.306 177.584 0.055 0.000 1.187 726 A CA 0.908 52.963 52.037 0.030 0.000 0.823 726 A CB -0.213 18.795 19.000 0.013 0.000 0.846 726 A HN 0.216 nan 8.150 nan 0.000 0.486 727 G N -0.921 107.923 108.800 0.072 0.000 2.176 727 G HA2 -0.178 3.411 3.960 -0.617 0.000 0.252 727 G HA3 -0.178 3.411 3.960 -0.617 0.000 0.252 727 G C 0.018 174.987 174.900 0.115 0.000 1.024 727 G CA 0.240 45.390 45.100 0.084 0.000 0.755 727 G HN 0.829 nan 8.290 nan 0.000 0.507 728 V N 0.393 120.401 119.914 0.156 0.000 2.407 728 V HA 0.498 4.247 4.120 -0.617 0.000 0.278 728 V C 0.392 176.701 176.094 0.359 0.000 1.037 728 V CA -0.620 61.809 62.300 0.215 0.000 0.900 728 V CB 1.743 33.670 31.823 0.173 0.000 0.983 728 V HN 0.380 nan 8.190 nan 0.000 0.459 729 D N 3.789 124.365 120.400 0.294 0.000 2.264 729 D HA 0.667 4.937 4.640 -0.617 0.000 0.249 729 D C -0.580 175.983 176.300 0.438 0.000 1.070 729 D CA 0.134 54.285 54.000 0.253 0.000 0.912 729 D CB 0.978 41.849 40.800 0.119 0.000 1.193 729 D HN 0.359 nan 8.370 nan 0.000 0.427 730 F N -0.774 119.258 119.950 0.136 0.000 2.926 730 F HA 0.446 4.595 4.527 -0.630 0.000 0.321 730 F C -1.409 174.453 175.800 0.103 0.000 1.168 730 F CA -1.075 57.034 58.000 0.181 0.000 0.890 730 F CB 0.673 39.821 39.000 0.248 0.000 1.357 730 F HN 0.206 nan 8.300 nan 0.000 0.468 731 Q N 0.383 120.255 119.800 0.121 0.000 2.348 731 Q HA 0.733 4.702 4.340 -0.617 0.000 0.271 731 Q C -1.044 174.947 176.000 -0.014 0.000 1.067 731 Q CA -0.923 54.851 55.803 -0.048 0.000 0.839 731 Q CB 2.804 31.560 28.738 0.030 0.000 1.354 731 Q HN 0.898 nan 8.270 nan 0.000 0.447 732 T N -1.525 112.989 114.554 -0.067 0.000 2.865 732 T HA 0.803 4.783 4.350 -0.617 0.000 0.294 732 T C -0.989 173.642 174.700 -0.116 0.000 1.119 732 T CA -0.903 61.178 62.100 -0.033 0.000 1.007 732 T CB 1.702 70.615 68.868 0.075 0.000 1.225 732 T HN 0.502 nan 8.240 nan 0.000 0.515 733 M N 1.948 121.462 119.600 -0.143 0.000 2.265 733 M HA 0.525 4.634 4.480 -0.617 0.000 0.251 733 M C -2.191 173.957 176.300 -0.253 0.000 1.005 733 M CA -0.832 54.239 55.300 -0.381 0.000 0.998 733 M CB 1.070 33.366 32.600 -0.507 0.000 2.070 733 M HN 0.934 nan 8.290 nan 0.000 0.476 734 W N 4.159 125.300 121.300 -0.266 0.000 2.359 734 W HA 0.763 5.170 4.660 -0.421 0.000 0.344 734 W C -1.872 174.382 176.519 -0.441 0.000 1.170 734 W CA -0.693 56.575 57.345 -0.128 0.000 1.296 734 W CB 0.288 29.721 29.460 -0.046 0.000 1.197 734 W HN 0.612 nan 8.180 nan 0.000 0.618 735 Y N 2.005 122.467 120.300 0.270 0.000 2.426 735 Y HA 0.285 4.466 4.550 -0.615 0.000 0.325 735 Y C 0.360 176.373 175.900 0.189 0.000 0.989 735 Y CA -1.273 56.896 58.100 0.115 0.000 1.284 735 Y CB 1.196 39.684 38.460 0.047 0.000 1.104 735 Y HN 0.436 nan 8.280 nan 0.000 0.481 736 T N 4.289 119.028 114.554 0.308 0.000 2.905 736 T HA -0.032 3.948 4.350 -0.617 0.000 0.299 736 T C 0.318 175.085 174.700 0.112 0.000 1.024 736 T CA 0.700 62.892 62.100 0.153 0.000 1.151 736 T CB 0.008 68.905 68.868 0.048 0.000 0.987 736 T HN 0.700 nan 8.240 nan 0.000 0.535 737 D N 0.431 120.869 120.400 0.063 0.000 3.028 737 D HA -0.134 4.136 4.640 -0.617 0.000 0.211 737 D C 0.351 176.793 176.300 0.236 0.000 1.136 737 D CA 1.270 55.273 54.000 0.004 0.000 0.987 737 D CB -0.359 40.261 40.800 -0.299 0.000 1.128 737 D HN 0.569 nan 8.370 nan 0.000 0.406 738 E N 0.980 121.324 120.200 0.240 0.000 2.343 738 E HA 0.286 4.266 4.350 -0.617 0.000 0.269 738 E C 0.807 177.586 176.600 0.299 0.000 1.047 738 E CA -0.157 56.400 56.400 0.263 0.000 0.874 738 E CB 1.052 30.896 29.700 0.240 0.000 1.033 738 E HN 0.373 nan 8.360 nan 0.000 0.409 739 D N -0.207 120.378 120.400 0.309 0.000 2.509 739 D HA -0.013 4.257 4.640 -0.617 0.000 0.275 739 D C 1.096 177.613 176.300 0.362 0.000 1.189 739 D CA -0.159 54.045 54.000 0.341 0.000 1.098 739 D CB -0.279 40.746 40.800 0.375 0.000 1.177 739 D HN 0.423 nan 8.370 nan 0.000 0.599 740 H N -1.636 117.606 119.070 0.286 0.000 2.489 740 H HA 0.109 4.291 4.556 -0.623 0.000 0.293 740 H C 1.789 177.343 175.328 0.375 0.000 1.066 740 H CA 2.031 58.261 56.048 0.304 0.000 1.305 740 H CB -0.319 29.601 29.762 0.263 0.000 1.386 740 H HN 0.475 nan 8.280 nan 0.000 0.551 741 G N -0.591 108.342 108.800 0.222 0.000 2.986 741 G HA2 0.074 3.664 3.960 -0.617 0.000 0.213 741 G HA3 0.074 3.664 3.960 -0.617 0.000 0.213 741 G C 0.572 175.652 174.900 0.300 0.000 1.156 741 G CA 0.189 45.356 45.100 0.110 0.000 0.763 741 G HN 0.487 nan 8.290 nan 0.000 0.547 742 I N 0.092 120.846 120.570 0.307 0.000 5.158 742 I HA -0.338 3.461 4.170 -0.617 0.000 0.126 742 I C 1.592 177.827 176.117 0.196 0.000 1.344 742 I CA 0.199 61.626 61.300 0.211 0.000 2.637 742 I CB -1.137 36.945 38.000 0.136 0.000 2.338 742 I HN 0.263 nan 8.210 nan 0.000 0.320 743 A N 1.014 123.927 122.820 0.155 0.000 2.348 743 A HA 0.275 4.225 4.320 -0.617 0.000 0.224 743 A C 1.210 178.835 177.584 0.069 0.000 1.227 743 A CA 0.549 52.643 52.037 0.095 0.000 0.885 743 A CB 0.117 19.135 19.000 0.030 0.000 0.933 743 A HN 0.640 nan 8.150 nan 0.000 0.506 744 S N -0.302 115.454 115.700 0.093 0.000 2.573 744 S HA 0.039 4.139 4.470 -0.617 0.000 0.277 744 S C 0.790 175.440 174.600 0.083 0.000 1.346 744 S CA 0.379 58.627 58.200 0.080 0.000 1.034 744 S CB 0.076 63.332 63.200 0.094 0.000 0.879 744 S HN 0.512 nan 8.310 nan 0.000 0.528 745 N N 0.852 119.589 118.700 0.061 0.000 2.037 745 N HA -0.171 4.198 4.740 -0.617 0.000 0.196 745 N C 1.721 177.293 175.510 0.102 0.000 1.034 745 N CA 1.957 55.050 53.050 0.070 0.000 0.861 745 N CB -0.282 38.230 38.487 0.041 0.000 1.039 745 N HN 0.532 nan 8.380 nan 0.000 0.427 746 M N 0.363 120.012 119.600 0.080 0.000 2.200 746 M HA 0.039 4.148 4.480 -0.617 0.000 0.265 746 M C 2.283 178.639 176.300 0.093 0.000 1.066 746 M CA 0.800 56.149 55.300 0.083 0.000 1.127 746 M CB -1.327 31.312 32.600 0.065 0.000 1.379 746 M HN 0.176 nan 8.290 nan 0.000 0.420 747 A N -0.863 121.993 122.820 0.060 0.000 1.930 747 A HA -0.210 3.740 4.320 -0.617 0.000 0.217 747 A C 2.078 179.608 177.584 -0.090 0.000 1.175 747 A CA 2.093 54.094 52.037 -0.060 0.000 0.627 747 A CB -1.056 17.889 19.000 -0.092 0.000 0.815 747 A HN 0.573 nan 8.150 nan 0.000 0.443 748 H N -0.235 118.817 119.070 -0.030 0.000 2.321 748 H HA -0.112 4.073 4.556 -0.619 0.000 0.300 748 H C 2.108 177.505 175.328 0.115 0.000 1.087 748 H CA 2.301 58.389 56.048 0.067 0.000 1.319 748 H CB -0.195 29.614 29.762 0.077 0.000 1.379 748 H HN 0.570 nan 8.280 nan 0.000 0.501 749 Q N -0.984 118.813 119.800 -0.005 0.000 2.079 749 Q HA -0.181 3.788 4.340 -0.617 0.000 0.200 749 Q C 2.231 178.205 176.000 -0.044 0.000 0.974 749 Q CA 1.304 57.069 55.803 -0.062 0.000 0.840 749 Q CB -0.207 28.538 28.738 0.011 0.000 0.898 749 Q HN 0.640 nan 8.270 nan 0.000 0.430 750 H N 0.721 119.755 119.070 -0.060 0.000 2.321 750 H HA -0.107 4.080 4.556 -0.614 0.000 0.300 750 H C 2.060 177.367 175.328 -0.036 0.000 1.087 750 H CA 1.440 57.481 56.048 -0.011 0.000 1.319 750 H CB -0.043 29.764 29.762 0.075 0.000 1.379 750 H HN 0.275 nan 8.280 nan 0.000 0.501 751 I N 0.076 120.566 120.570 -0.133 0.000 2.202 751 I HA -0.321 3.479 4.170 -0.617 0.000 0.242 751 I C 1.845 177.698 176.117 -0.441 0.000 1.091 751 I CA 1.231 62.367 61.300 -0.273 0.000 1.368 751 I CB -0.279 37.377 38.000 -0.574 0.000 1.058 751 I HN 0.143 nan 8.210 nan 0.000 0.410 752 Y N 0.973 121.029 120.300 -0.407 0.000 2.293 752 Y HA -0.213 3.970 4.550 -0.612 0.000 0.291 752 Y C 2.726 178.405 175.900 -0.367 0.000 1.137 752 Y CA 1.895 59.639 58.100 -0.594 0.000 1.202 752 Y CB -0.886 37.229 38.460 -0.574 0.000 0.990 752 Y HN 0.165 nan 8.280 nan 0.000 0.537 753 T N -1.753 112.703 114.554 -0.164 0.000 2.777 753 T HA -0.220 3.760 4.350 -0.617 0.000 0.266 753 T C 1.570 176.070 174.700 -0.332 0.000 1.040 753 T CA 1.817 63.765 62.100 -0.254 0.000 1.141 753 T CB -0.446 68.273 68.868 -0.248 0.000 0.868 753 T HN 0.420 nan 8.240 nan 0.000 0.444 754 H N 0.821 119.697 119.070 -0.324 0.000 2.353 754 H HA 0.114 4.303 4.556 -0.611 0.000 0.300 754 H C 2.159 177.431 175.328 -0.092 0.000 1.090 754 H CA 1.494 57.431 56.048 -0.184 0.000 1.327 754 H CB -0.215 29.450 29.762 -0.162 0.000 1.383 754 H HN 0.250 nan 8.280 nan 0.000 0.508 755 M N -0.828 118.698 119.600 -0.123 0.000 2.175 755 M HA -0.144 3.966 4.480 -0.617 0.000 0.264 755 M C 2.349 178.763 176.300 0.190 0.000 1.063 755 M CA 1.441 56.686 55.300 -0.092 0.000 1.119 755 M CB 0.055 32.375 32.600 -0.466 0.000 1.377 755 M HN 0.211 nan 8.290 nan 0.000 0.415 756 S N -0.596 115.249 115.700 0.242 0.000 2.382 756 S HA -0.161 3.939 4.470 -0.617 0.000 0.228 756 S C 1.558 176.265 174.600 0.178 0.000 1.027 756 S CA 1.223 59.640 58.200 0.362 0.000 0.991 756 S CB -0.631 62.819 63.200 0.416 0.000 0.823 756 S HN 0.577 nan 8.310 nan 0.000 0.469 757 H N -0.682 118.445 119.070 0.096 0.000 2.357 757 H HA -0.007 4.178 4.556 -0.619 0.000 0.301 757 H C 1.956 177.277 175.328 -0.013 0.000 1.082 757 H CA 1.363 57.419 56.048 0.013 0.000 1.342 757 H CB -0.154 29.571 29.762 -0.061 0.000 1.389 757 H HN 0.389 nan 8.280 nan 0.000 0.511 758 F N 1.270 121.188 119.950 -0.054 0.000 2.102 758 F HA -0.199 3.962 4.527 -0.610 0.000 0.298 758 F C 2.017 177.752 175.800 -0.107 0.000 1.105 758 F CA 1.185 59.124 58.000 -0.101 0.000 1.239 758 F CB -0.356 38.562 39.000 -0.136 0.000 0.991 758 F HN 0.014 nan 8.300 nan 0.000 0.474 759 L N 0.253 121.476 121.223 -0.000 0.000 2.017 759 L HA -0.243 3.727 4.340 -0.617 0.000 0.208 759 L C 2.558 179.203 176.870 -0.375 0.000 1.073 759 L CA 1.542 56.187 54.840 -0.325 0.000 0.745 759 L CB -0.705 41.233 42.059 -0.201 0.000 0.894 759 L HN 0.101 nan 8.230 nan 0.000 0.432 760 K N -0.350 119.998 120.400 -0.087 0.000 2.103 760 K HA -0.249 3.700 4.320 -0.617 0.000 0.207 760 K C 2.068 178.643 176.600 -0.042 0.000 1.048 760 K CA 1.267 57.562 56.287 0.013 0.000 0.930 760 K CB -0.260 32.301 32.500 0.103 0.000 0.716 760 K HN 0.350 nan 8.250 nan 0.000 0.444 761 Q N 1.268 120.995 119.800 -0.122 0.000 2.079 761 Q HA -0.183 3.787 4.340 -0.617 0.000 0.200 761 Q C 2.228 178.105 176.000 -0.205 0.000 0.974 761 Q CA 1.601 57.313 55.803 -0.152 0.000 0.840 761 Q CB -0.516 28.107 28.738 -0.192 0.000 0.898 761 Q HN 0.376 nan 8.270 nan 0.000 0.430 762 c N 0.170 118.540 118.600 -0.384 0.000 2.440 762 c HA -0.038 4.161 4.570 -0.617 0.000 0.278 762 c C 2.006 176.073 174.090 -0.038 0.000 1.295 762 c CA 0.261 56.382 56.329 -0.347 0.000 1.738 762 c CB -1.252 40.895 42.510 -0.605 0.000 1.987 762 c HN 0.510 nan 8.230 nan 0.000 0.492 763 F N 1.743 121.654 119.950 -0.066 0.000 2.732 763 F HA 0.271 4.429 4.527 -0.614 0.000 0.303 763 F C 1.573 177.354 175.800 -0.032 0.000 1.110 763 F CA 0.205 58.187 58.000 -0.031 0.000 1.355 763 F CB -1.249 37.744 39.000 -0.012 0.000 1.081 763 F HN 0.154 nan 8.300 nan 0.000 0.565 764 S N 1.067 116.838 115.700 0.118 0.000 3.631 764 S HA -0.198 3.902 4.470 -0.617 0.000 0.366 764 S C -0.055 174.583 174.600 0.064 0.000 0.993 764 S CA 0.128 58.363 58.200 0.059 0.000 1.167 764 S CB -1.928 61.297 63.200 0.041 0.000 0.909 764 S HN 0.251 nan 8.310 nan 0.000 0.478 765 L N 2.030 123.304 121.223 0.085 0.000 2.282 765 L HA 0.456 4.426 4.340 -0.617 0.000 0.288 765 L C -1.031 175.875 176.870 0.060 0.000 1.033 765 L CA -1.994 52.893 54.840 0.079 0.000 0.807 765 L CB 0.781 42.913 42.059 0.122 0.000 1.209 765 L HN 0.101 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.124 63.100 0.039 0.000 0.800 766 P CB 0.000 31.717 31.700 0.029 0.000 0.726