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 1xw2_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFNNNPSSVG AYSSGTYRNL AQEMGKTNIQ QKVNSTFDNM FGYNNTQQLY DATA SEQUENCE YPYTENGVYK AHYIKAINPD EGDDIRTQGQ SWGMTAAVML NKQEEFDNLW DATA SEQUENCE RFAKAYQKNP DNHPDAKKQG VYAWKLKLNQ NGFVYKVDEG PAPDGEEYFA DATA SEQUENCE FALLNASARW GNSGEFNYYN DAITMLNTIK NKLMENQIIR FSPYIDNLTD DATA SEQUENCE PSYHIPAFYD YFANNVTNQA DKNYWRQVAT KSRTLLKNHF TKVSGSPHWN DATA SEQUENCE LPTFLSRLDG SPVIGYIFNG QANPGQWYEF DAWRVIMNVG LDAHLMGAQA DATA SEQUENCE WHKSAVNKAL GFLSYAKTNN SKNcYEQVYS YGGAQNRGcA GEGQKAANAV DATA SEQUENCE ALLASTNAGQ ANEFFNEFWS LSQPTGDYRY YNGSLYMLAM LHVSGNFKFY DATA SEQUENCE NNTF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.574 177.584 -0.016 0.000 1.274 1 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 1 A CB 0.000 18.988 19.000 -0.021 0.000 0.831 2 F N 2.345 122.218 119.950 -0.128 0.000 2.578 2 F HA 0.334 5.382 4.527 0.869 0.000 0.376 2 F C 0.685 176.414 175.800 -0.118 0.000 1.085 2 F CA 0.154 58.067 58.000 -0.144 0.000 1.260 2 F CB 0.505 39.428 39.000 -0.129 0.000 1.095 2 F HN 0.602 nan 8.300 nan 0.000 0.573 3 N N 5.601 123.792 118.700 -0.848 0.000 2.448 3 N HA -0.016 5.239 4.740 0.858 0.000 0.250 3 N C 0.415 175.215 175.510 -1.184 0.000 1.136 3 N CA -0.178 52.413 53.050 -0.764 0.000 0.953 3 N CB -0.259 37.926 38.487 -0.503 0.000 1.251 3 N HN 0.685 nan 8.380 nan 0.000 0.502 4 N N 2.132 120.390 118.700 -0.737 0.000 2.383 4 N HA -0.049 5.206 4.740 0.858 0.000 0.192 4 N C -0.499 174.867 175.510 -0.241 0.000 1.141 4 N CA 0.065 52.873 53.050 -0.403 0.000 0.851 4 N CB -0.086 38.403 38.487 0.002 0.000 0.976 4 N HN 0.275 nan 8.380 nan 0.000 0.465 5 N N 1.571 120.104 118.700 -0.280 0.000 2.813 5 N HA 0.284 5.539 4.740 0.858 0.000 0.282 5 N C -2.806 172.579 175.510 -0.207 0.000 1.748 5 N CA -1.691 51.244 53.050 -0.191 0.000 0.860 5 N CB 0.796 39.196 38.487 -0.145 0.000 1.204 5 N HN 0.085 nan 8.380 nan 0.000 0.490 6 P HA 0.028 nan 4.420 nan 0.000 0.268 6 P C 0.080 177.275 177.300 -0.174 0.000 1.204 6 P CA 0.007 62.976 63.100 -0.218 0.000 0.768 6 P CB 0.912 32.477 31.700 -0.225 0.000 0.842 7 S N 1.480 117.086 115.700 -0.157 0.000 2.560 7 S HA 0.052 5.037 4.470 0.858 0.000 0.284 7 S C 1.582 176.101 174.600 -0.135 0.000 1.327 7 S CA 0.051 58.173 58.200 -0.130 0.000 1.055 7 S CB -0.009 63.120 63.200 -0.118 0.000 0.868 7 S HN 0.524 nan 8.310 nan 0.000 0.506 8 S N 3.318 118.954 115.700 -0.107 0.000 2.522 8 S HA 0.045 5.030 4.470 0.858 0.000 0.227 8 S C 0.529 175.080 174.600 -0.081 0.000 0.986 8 S CA -0.059 58.085 58.200 -0.092 0.000 0.929 8 S CB -0.116 63.050 63.200 -0.056 0.000 0.769 8 S HN 0.549 nan 8.310 nan 0.000 0.529 9 V N 2.277 122.138 119.914 -0.088 0.000 2.407 9 V HA 0.692 5.327 4.120 0.858 0.000 0.278 9 V C 0.699 176.721 176.094 -0.120 0.000 1.037 9 V CA -0.371 61.878 62.300 -0.086 0.000 0.900 9 V CB 0.667 32.444 31.823 -0.076 0.000 0.983 9 V HN 0.451 nan 8.190 nan 0.000 0.459 10 G N 4.209 112.937 108.800 -0.119 0.000 2.572 10 G HA2 0.462 4.936 3.960 0.858 0.000 0.261 10 G HA3 0.462 4.936 3.960 0.858 0.000 0.261 10 G C 1.011 175.759 174.900 -0.254 0.000 1.197 10 G CA 0.053 45.048 45.100 -0.175 0.000 0.870 10 G HN 1.245 nan 8.290 nan 0.000 0.548 11 A N 0.468 123.018 122.820 -0.451 0.000 1.972 11 A HA -0.115 4.720 4.320 0.858 0.000 0.219 11 A C 2.012 179.262 177.584 -0.558 0.000 1.169 11 A CA 1.689 53.271 52.037 -0.758 0.000 0.635 11 A CB -0.632 17.439 19.000 -1.547 0.000 0.810 11 A HN 0.761 nan 8.150 nan 0.000 0.446 12 Y N 0.729 120.731 120.300 -0.497 0.000 2.181 12 Y HA -0.147 4.919 4.550 0.859 0.000 0.288 12 Y C 2.862 178.705 175.900 -0.095 0.000 1.146 12 Y CA 1.165 59.132 58.100 -0.221 0.000 1.164 12 Y CB -0.759 37.636 38.460 -0.108 0.000 0.982 12 Y HN 0.347 nan 8.280 nan 0.000 0.515 13 S N -1.106 114.527 115.700 -0.112 0.000 2.362 13 S HA -0.110 4.875 4.470 0.858 0.000 0.221 13 S C 2.281 176.808 174.600 -0.123 0.000 1.032 13 S CA 1.459 59.567 58.200 -0.152 0.000 0.973 13 S CB -0.668 62.468 63.200 -0.106 0.000 0.849 13 S HN 0.638 nan 8.310 nan 0.000 0.465 14 S N -0.379 115.241 115.700 -0.134 0.000 2.446 14 S HA 0.303 5.288 4.470 0.858 0.000 0.225 14 S C 1.729 176.272 174.600 -0.095 0.000 1.016 14 S CA 1.099 59.232 58.200 -0.112 0.000 0.943 14 S CB -0.454 62.672 63.200 -0.124 0.000 0.786 14 S HN 1.283 nan 8.310 nan 0.000 0.508 15 G N 0.565 109.290 108.800 -0.124 0.000 2.179 15 G HA2 -0.227 4.248 3.960 0.858 0.000 0.260 15 G HA3 -0.227 4.248 3.960 0.858 0.000 0.260 15 G C 0.160 175.039 174.900 -0.034 0.000 0.977 15 G CA 0.412 45.489 45.100 -0.038 0.000 0.641 15 G HN 0.652 nan 8.290 nan 0.000 0.533 16 T N 1.356 115.818 114.554 -0.153 0.000 2.747 16 T HA 0.523 5.388 4.350 0.858 0.000 0.301 16 T C -0.495 174.088 174.700 -0.195 0.000 0.952 16 T CA -0.071 61.973 62.100 -0.093 0.000 0.983 16 T CB 0.487 69.305 68.868 -0.084 0.000 0.930 16 T HN 0.234 nan 8.240 nan 0.000 0.494 17 Y N 2.430 122.729 120.300 -0.001 0.000 2.320 17 Y HA 0.379 5.443 4.550 0.857 0.000 0.334 17 Y C 1.246 177.246 175.900 0.167 0.000 1.055 17 Y CA -0.983 57.169 58.100 0.088 0.000 1.143 17 Y CB 0.829 39.312 38.460 0.038 0.000 1.193 17 Y HN 0.385 nan 8.280 nan 0.000 0.477 18 R N 1.984 122.749 120.500 0.443 0.000 2.643 18 R HA 0.052 4.907 4.340 0.858 0.000 0.270 18 R C -0.155 176.189 176.300 0.073 0.000 1.061 18 R CA -0.207 55.946 56.100 0.088 0.000 1.107 18 R CB 0.314 30.496 30.300 -0.196 0.000 0.999 18 R HN 0.523 nan 8.270 nan 0.000 0.460 19 N N 3.328 122.029 118.700 0.002 0.000 2.706 19 N HA 0.016 5.271 4.740 0.858 0.000 0.240 19 N C 0.367 175.820 175.510 -0.095 0.000 1.039 19 N CA -0.187 52.860 53.050 -0.005 0.000 0.888 19 N CB 0.991 39.484 38.487 0.009 0.000 1.128 19 N HN 0.453 nan 8.380 nan 0.000 0.512 20 L N 4.299 125.450 121.223 -0.120 0.000 2.046 20 L HA -0.003 4.852 4.340 0.858 0.000 0.208 20 L C 2.030 178.626 176.870 -0.457 0.000 1.077 20 L CA 2.086 56.787 54.840 -0.231 0.000 0.747 20 L CB -0.632 41.328 42.059 -0.165 0.000 0.896 20 L HN 0.567 nan 8.230 nan 0.000 0.432 21 A N -1.192 121.410 122.820 -0.362 0.000 1.933 21 A HA -0.292 4.543 4.320 0.858 0.000 0.218 21 A C 2.324 179.651 177.584 -0.427 0.000 1.175 21 A CA 1.880 53.597 52.037 -0.534 0.000 0.628 21 A CB -0.664 18.112 19.000 -0.374 0.000 0.814 21 A HN 0.670 nan 8.150 nan 0.000 0.444 22 Q N -0.396 119.260 119.800 -0.240 0.000 2.046 22 Q HA -0.201 4.653 4.340 0.858 0.000 0.200 22 Q C 1.908 177.803 176.000 -0.174 0.000 0.975 22 Q CA 1.627 57.333 55.803 -0.161 0.000 0.836 22 Q CB -0.164 28.523 28.738 -0.086 0.000 0.896 22 Q HN 0.775 nan 8.270 nan 0.000 0.428 23 E N -0.227 119.858 120.200 -0.192 0.000 2.130 23 E HA -0.198 4.667 4.350 0.858 0.000 0.196 23 E C 1.545 178.038 176.600 -0.177 0.000 0.998 23 E CA 1.061 57.362 56.400 -0.164 0.000 0.806 23 E CB 0.014 29.621 29.700 -0.155 0.000 0.738 23 E HN 0.404 nan 8.360 nan 0.000 0.459 24 M N -0.747 118.663 119.600 -0.317 0.000 2.628 24 M HA 0.118 5.112 4.480 0.858 0.000 0.232 24 M C 1.185 177.355 176.300 -0.218 0.000 1.128 24 M CA 0.622 55.725 55.300 -0.328 0.000 1.040 24 M CB -0.231 31.959 32.600 -0.682 0.000 1.608 24 M HN 0.253 nan 8.290 nan 0.000 0.507 25 G N 0.908 109.600 108.800 -0.180 0.000 2.143 25 G HA2 -0.223 4.252 3.960 0.858 0.000 0.248 25 G HA3 -0.223 4.252 3.960 0.858 0.000 0.248 25 G C 0.147 174.985 174.900 -0.103 0.000 0.991 25 G CA 0.011 45.045 45.100 -0.109 0.000 0.689 25 G HN 0.331 nan 8.290 nan 0.000 0.522 26 K N 0.983 121.270 120.400 -0.189 0.000 2.154 26 K HA 0.631 5.466 4.320 0.858 0.000 0.264 26 K C 0.906 177.494 176.600 -0.021 0.000 1.008 26 K CA 0.448 56.640 56.287 -0.159 0.000 0.937 26 K CB 1.046 33.212 32.500 -0.557 0.000 1.002 26 K HN 0.566 nan 8.250 nan 0.000 0.469 27 T N -2.477 112.141 114.554 0.107 0.000 2.940 27 T HA 0.340 5.205 4.350 0.858 0.000 0.288 27 T C -0.049 174.777 174.700 0.210 0.000 1.045 27 T CA -0.972 61.203 62.100 0.124 0.000 1.018 27 T CB 0.664 69.590 68.868 0.097 0.000 1.151 27 T HN 0.622 nan 8.240 nan 0.000 0.529 28 N N -0.304 118.491 118.700 0.159 0.000 2.716 28 N HA -0.164 5.091 4.740 0.858 0.000 0.250 28 N C 0.727 176.382 175.510 0.241 0.000 1.033 28 N CA 0.580 53.730 53.050 0.165 0.000 0.727 28 N CB -1.371 37.200 38.487 0.139 0.000 0.950 28 N HN 0.624 nan 8.380 nan 0.000 0.541 29 I N -0.020 120.708 120.570 0.263 0.000 2.142 29 I HA -0.298 4.387 4.170 0.858 0.000 0.240 29 I C 2.317 178.602 176.117 0.278 0.000 1.078 29 I CA 1.120 62.642 61.300 0.370 0.000 1.343 29 I CB -0.189 37.958 38.000 0.245 0.000 1.046 29 I HN 0.309 nan 8.210 nan 0.000 0.405 30 Q N 0.152 120.058 119.800 0.176 0.000 2.119 30 Q HA -0.226 4.629 4.340 0.858 0.000 0.201 30 Q C 2.204 178.272 176.000 0.113 0.000 0.972 30 Q CA 1.548 57.429 55.803 0.130 0.000 0.847 30 Q CB -0.831 27.959 28.738 0.087 0.000 0.903 30 Q HN 0.520 nan 8.270 nan 0.000 0.433 31 Q N 1.068 120.932 119.800 0.107 0.000 2.096 31 Q HA -0.203 4.651 4.340 0.858 0.000 0.204 31 Q C 2.107 178.157 176.000 0.084 0.000 0.982 31 Q CA 2.149 58.002 55.803 0.084 0.000 0.850 31 Q CB -0.172 28.612 28.738 0.076 0.000 0.901 31 Q HN 0.532 nan 8.270 nan 0.000 0.422 32 K N -0.953 119.507 120.400 0.099 0.000 2.057 32 K HA -0.081 4.754 4.320 0.858 0.000 0.206 32 K C 2.059 178.704 176.600 0.074 0.000 1.050 32 K CA 1.473 57.785 56.287 0.042 0.000 0.935 32 K CB -0.277 32.194 32.500 -0.048 0.000 0.715 32 K HN 0.329 nan 8.250 nan 0.000 0.439 33 V N 2.140 122.133 119.914 0.131 0.000 2.287 33 V HA -0.292 4.343 4.120 0.858 0.000 0.248 33 V C 1.902 178.085 176.094 0.147 0.000 1.053 33 V CA 2.029 64.418 62.300 0.149 0.000 1.027 33 V CB -0.676 31.242 31.823 0.158 0.000 0.646 33 V HN 0.414 nan 8.190 nan 0.000 0.447 34 N N 0.293 119.061 118.700 0.113 0.000 2.120 34 N HA -0.125 5.130 4.740 0.858 0.000 0.188 34 N C 2.089 177.684 175.510 0.141 0.000 1.024 34 N CA 1.803 54.915 53.050 0.103 0.000 0.852 34 N CB -0.541 37.981 38.487 0.059 0.000 1.003 34 N HN 0.403 nan 8.380 nan 0.000 0.424 35 S N 0.088 115.855 115.700 0.111 0.000 2.382 35 S HA -0.073 4.912 4.470 0.858 0.000 0.228 35 S C 2.001 176.679 174.600 0.131 0.000 1.027 35 S CA 1.237 59.496 58.200 0.099 0.000 0.991 35 S CB -0.443 62.791 63.200 0.057 0.000 0.823 35 S HN 0.410 nan 8.310 nan 0.000 0.469 36 T N 1.735 116.387 114.554 0.164 0.000 2.684 36 T HA -0.098 4.767 4.350 0.858 0.000 0.267 36 T C 1.423 176.272 174.700 0.249 0.000 1.036 36 T CA 1.377 63.609 62.100 0.220 0.000 1.148 36 T CB -0.472 68.558 68.868 0.270 0.000 0.863 36 T HN 0.411 nan 8.240 nan 0.000 0.436 37 F N 2.217 122.250 119.950 0.138 0.000 2.102 37 F HA -0.137 4.905 4.527 0.857 0.000 0.298 37 F C 2.033 177.929 175.800 0.159 0.000 1.105 37 F CA 1.461 59.545 58.000 0.140 0.000 1.239 37 F CB -0.338 38.647 39.000 -0.025 0.000 0.991 37 F HN 0.052 nan 8.300 nan 0.000 0.474 38 D N 0.139 120.714 120.400 0.291 0.000 2.123 38 D HA -0.194 4.961 4.640 0.858 0.000 0.196 38 D C 1.889 178.235 176.300 0.077 0.000 0.992 38 D CA 1.330 55.435 54.000 0.175 0.000 0.833 38 D CB -0.517 40.363 40.800 0.133 0.000 0.954 38 D HN 0.320 nan 8.370 nan 0.000 0.455 39 N N -0.004 118.739 118.700 0.071 0.000 2.216 39 N HA -0.064 5.191 4.740 0.858 0.000 0.183 39 N C 1.812 177.327 175.510 0.008 0.000 1.017 39 N CA 0.329 53.400 53.050 0.035 0.000 0.861 39 N CB -0.293 38.213 38.487 0.031 0.000 0.986 39 N HN 0.260 nan 8.380 nan 0.000 0.428 40 M N -0.691 118.917 119.600 0.014 0.000 2.175 40 M HA -0.028 4.967 4.480 0.858 0.000 0.264 40 M C -0.052 176.095 176.300 -0.256 0.000 1.063 40 M CA 1.468 56.724 55.300 -0.074 0.000 1.119 40 M CB 0.102 32.696 32.600 -0.009 0.000 1.377 40 M HN -0.097 nan 8.290 nan 0.000 0.415 41 F N 0.381 120.112 119.950 -0.365 0.000 2.923 41 F HA 0.449 5.490 4.527 0.857 0.000 0.314 41 F C 0.655 176.335 175.800 -0.200 0.000 1.196 41 F CA -0.498 57.248 58.000 -0.423 0.000 1.320 41 F CB 0.133 38.520 39.000 -1.021 0.000 0.953 41 F HN 0.016 nan 8.300 nan 0.000 0.505 42 G N -1.339 107.466 108.800 0.008 0.000 2.519 42 G HA2 0.384 4.859 3.960 0.858 0.000 0.307 42 G HA3 0.384 4.859 3.960 0.858 0.000 0.307 42 G C -1.406 173.527 174.900 0.054 0.000 1.266 42 G CA -0.413 44.660 45.100 -0.045 0.000 0.970 42 G HN -0.028 nan 8.290 nan 0.000 0.481 43 Y N 1.633 121.923 120.300 -0.017 0.000 2.735 43 Y HA 0.131 5.196 4.550 0.858 0.000 0.354 43 Y C 1.286 177.155 175.900 -0.051 0.000 1.288 43 Y CA -1.613 56.444 58.100 -0.072 0.000 1.836 43 Y CB -0.212 38.230 38.460 -0.031 0.000 1.920 43 Y HN 0.708 nan 8.280 nan 0.000 0.438 44 N N -1.300 117.450 118.700 0.085 0.000 2.197 44 N HA -0.005 5.250 4.740 0.858 0.000 0.201 44 N C 0.500 176.037 175.510 0.044 0.000 1.148 44 N CA 0.095 53.177 53.050 0.053 0.000 0.883 44 N CB -0.095 38.412 38.487 0.034 0.000 1.012 44 N HN 0.312 nan 8.380 nan 0.000 0.507 45 N N -0.908 117.817 118.700 0.041 0.000 2.661 45 N HA -0.240 5.015 4.740 0.858 0.000 0.249 45 N C -0.501 175.055 175.510 0.077 0.000 1.142 45 N CA 1.233 54.338 53.050 0.091 0.000 0.727 45 N CB -0.518 38.029 38.487 0.100 0.000 1.099 45 N HN 0.494 nan 8.380 nan 0.000 0.558 46 T N -0.559 114.025 114.554 0.050 0.000 3.397 46 T HA 0.060 4.925 4.350 0.858 0.000 0.233 46 T C 1.413 176.132 174.700 0.031 0.000 0.969 46 T CA 0.444 62.565 62.100 0.035 0.000 1.316 46 T CB -0.079 68.800 68.868 0.019 0.000 1.175 46 T HN 0.067 nan 8.240 nan 0.000 0.381 47 Q N 1.204 121.013 119.800 0.015 0.000 2.398 47 Q HA 0.226 5.081 4.340 0.858 0.000 0.204 47 Q C 0.933 176.946 176.000 0.021 0.000 0.932 47 Q CA 0.059 55.866 55.803 0.008 0.000 0.916 47 Q CB -0.004 28.727 28.738 -0.012 0.000 1.024 47 Q HN 0.484 nan 8.270 nan 0.000 0.504 48 Q N 0.753 120.559 119.800 0.011 0.000 2.304 48 Q HA -0.084 4.771 4.340 0.858 0.000 0.315 48 Q C -0.024 176.002 176.000 0.044 0.000 1.075 48 Q CA 0.559 56.332 55.803 -0.049 0.000 0.988 48 Q CB 0.407 29.054 28.738 -0.153 0.000 1.146 48 Q HN 0.393 nan 8.270 nan 0.000 0.383 49 L N 4.070 125.277 121.223 -0.027 0.000 2.878 49 L HA 0.197 5.052 4.340 0.858 0.000 0.253 49 L C -0.224 176.701 176.870 0.092 0.000 1.135 49 L CA -0.300 54.617 54.840 0.128 0.000 0.943 49 L CB 0.526 42.631 42.059 0.077 0.000 1.307 49 L HN 0.667 nan 8.230 nan 0.000 0.545 50 Y N 0.703 120.787 120.300 -0.361 0.000 2.404 50 Y HA 0.435 5.499 4.550 0.858 0.000 0.344 50 Y C -1.154 174.599 175.900 -0.246 0.000 0.970 50 Y CA -0.576 57.324 58.100 -0.334 0.000 1.180 50 Y CB 0.327 38.398 38.460 -0.648 0.000 1.138 50 Y HN -0.105 nan 8.280 nan 0.000 0.510 51 Y N 7.454 127.446 120.300 -0.512 0.000 2.425 51 Y HA 0.457 5.521 4.550 0.857 0.000 0.344 51 Y C -2.326 173.105 175.900 -0.781 0.000 0.969 51 Y CA -2.820 54.910 58.100 -0.617 0.000 1.052 51 Y CB 1.880 39.862 38.460 -0.798 0.000 1.215 51 Y HN 0.530 nan 8.280 nan 0.000 0.451 52 P HA 0.037 nan 4.420 nan 0.000 0.275 52 P C -1.370 175.858 177.300 -0.121 0.000 1.228 52 P CA -0.034 62.648 63.100 -0.697 0.000 0.786 52 P CB 1.010 32.458 31.700 -0.421 0.000 0.927 53 Y N 2.510 122.756 120.300 -0.090 0.000 2.328 53 Y HA 0.483 5.549 4.550 0.858 0.000 0.337 53 Y C -0.314 175.562 175.900 -0.040 0.000 0.966 53 Y CA -0.300 57.850 58.100 0.082 0.000 1.136 53 Y CB 1.124 39.770 38.460 0.309 0.000 1.170 53 Y HN 0.422 nan 8.280 nan 0.000 0.470 54 T N 2.343 116.563 114.554 -0.556 0.000 2.908 54 T HA 0.641 5.506 4.350 0.858 0.000 0.290 54 T C -0.983 173.300 174.700 -0.696 0.000 1.034 54 T CA -1.010 60.791 62.100 -0.498 0.000 1.010 54 T CB 2.044 70.794 68.868 -0.196 0.000 1.068 54 T HN 0.675 nan 8.240 nan 0.000 0.481 55 E N 1.616 121.578 120.200 -0.396 0.000 2.216 55 E HA 0.324 5.189 4.350 0.858 0.000 0.260 55 E C -0.522 176.069 176.600 -0.015 0.000 0.880 55 E CA -1.032 55.272 56.400 -0.160 0.000 0.765 55 E CB 1.023 30.742 29.700 0.032 0.000 1.174 55 E HN 0.725 nan 8.360 nan 0.000 0.417 56 N N 2.358 121.064 118.700 0.009 0.000 2.716 56 N HA -0.258 4.997 4.740 0.858 0.000 0.250 56 N C 0.704 176.210 175.510 -0.008 0.000 1.033 56 N CA 1.283 54.351 53.050 0.031 0.000 0.727 56 N CB -0.992 37.556 38.487 0.100 0.000 0.950 56 N HN 1.067 nan 8.380 nan 0.000 0.541 57 G N -2.543 106.228 108.800 -0.048 0.000 2.179 57 G HA2 -0.342 4.133 3.960 0.858 0.000 0.260 57 G HA3 -0.342 4.133 3.960 0.858 0.000 0.260 57 G C 0.063 174.962 174.900 -0.001 0.000 0.977 57 G CA 0.372 45.456 45.100 -0.027 0.000 0.641 57 G HN 0.457 nan 8.290 nan 0.000 0.533 58 V N 1.365 121.275 119.914 -0.008 0.000 2.383 58 V HA 0.494 5.129 4.120 0.858 0.000 0.275 58 V C 0.458 176.563 176.094 0.018 0.000 1.036 58 V CA -1.056 61.260 62.300 0.027 0.000 0.889 58 V CB 1.102 32.939 31.823 0.024 0.000 0.985 58 V HN 0.364 nan 8.190 nan 0.000 0.459 59 Y N 6.169 126.467 120.300 -0.003 0.000 2.610 59 Y HA 0.162 5.227 4.550 0.858 0.000 0.332 59 Y C 1.073 177.012 175.900 0.066 0.000 1.201 59 Y CA 0.499 58.609 58.100 0.016 0.000 1.465 59 Y CB 0.587 39.083 38.460 0.060 0.000 1.283 59 Y HN 0.588 nan 8.280 nan 0.000 0.563 60 K N 4.456 124.303 120.400 -0.922 0.000 2.363 60 K HA 0.567 5.402 4.320 0.858 0.000 0.215 60 K C -0.234 176.015 176.600 -0.585 0.000 1.179 60 K CA 0.685 56.680 56.287 -0.486 0.000 0.856 60 K CB 0.135 32.621 32.500 -0.023 0.000 1.371 60 K HN 0.661 nan 8.250 nan 0.000 0.455 61 A N 0.255 122.807 122.820 -0.448 0.000 2.506 61 A HA 0.638 5.473 4.320 0.858 0.000 0.305 61 A C -1.688 176.119 177.584 0.372 0.000 1.166 61 A CA -0.579 51.582 52.037 0.206 0.000 0.638 61 A CB 0.818 20.143 19.000 0.541 0.000 1.336 61 A HN 0.291 nan 8.150 nan 0.000 0.493 62 H N -1.512 117.810 119.070 0.420 0.000 2.797 62 H HA 0.715 5.786 4.556 0.858 0.000 0.372 62 H C -1.210 174.105 175.328 -0.020 0.000 1.168 62 H CA 0.083 56.213 56.048 0.137 0.000 1.163 62 H CB 1.720 31.451 29.762 -0.053 0.000 1.778 62 H HN 0.763 nan 8.280 nan 0.000 0.551 63 Y N -0.689 119.466 120.300 -0.242 0.000 2.581 63 Y HA 0.542 5.606 4.550 0.857 0.000 0.345 63 Y C -1.480 174.363 175.900 -0.096 0.000 1.036 63 Y CA -1.492 56.338 58.100 -0.451 0.000 1.042 63 Y CB 0.911 38.656 38.460 -1.192 0.000 1.289 63 Y HN 0.314 nan 8.280 nan 0.000 0.471 64 I N 3.011 123.653 120.570 0.121 0.000 2.337 64 I HA 0.228 4.912 4.170 0.858 0.000 0.291 64 I C -0.011 176.251 176.117 0.242 0.000 1.046 64 I CA -0.502 60.904 61.300 0.177 0.000 1.324 64 I CB 0.995 39.152 38.000 0.261 0.000 1.409 64 I HN 0.682 nan 8.210 nan 0.000 0.494 65 K N 5.759 126.272 120.400 0.189 0.000 2.285 65 K HA 0.448 5.283 4.320 0.858 0.000 0.286 65 K C -0.044 176.566 176.600 0.016 0.000 1.072 65 K CA -0.437 55.915 56.287 0.107 0.000 0.913 65 K CB 0.794 33.198 32.500 -0.160 0.000 1.067 65 K HN 0.718 nan 8.250 nan 0.000 0.479 66 A N 6.698 129.357 122.820 -0.268 0.000 2.915 66 A HA 0.207 5.041 4.320 0.858 0.000 0.292 66 A C 0.020 177.422 177.584 -0.302 0.000 1.632 66 A CA -0.523 51.099 52.037 -0.692 0.000 1.337 66 A CB -0.739 17.595 19.000 -1.110 0.000 1.111 66 A HN 0.808 nan 8.150 nan 0.000 0.569 67 I N 2.108 122.620 120.570 -0.097 0.000 2.752 67 I HA -0.046 4.639 4.170 0.858 0.000 0.289 67 I C 0.581 176.635 176.117 -0.104 0.000 1.197 67 I CA 0.619 61.867 61.300 -0.088 0.000 1.432 67 I CB 0.272 38.255 38.000 -0.028 0.000 1.359 67 I HN 0.565 nan 8.210 nan 0.000 0.571 68 N N 8.601 127.219 118.700 -0.136 0.000 2.621 68 N HA 0.263 5.518 4.740 0.858 0.000 0.271 68 N C -2.114 173.317 175.510 -0.132 0.000 1.181 68 N CA -1.580 51.389 53.050 -0.134 0.000 0.805 68 N CB 1.922 40.336 38.487 -0.123 0.000 1.351 68 N HN 0.164 nan 8.380 nan 0.000 0.539 69 P HA 0.031 nan 4.420 nan 0.000 0.225 69 P C 0.144 177.400 177.300 -0.074 0.000 1.156 69 P CA 0.891 63.912 63.100 -0.131 0.000 0.787 69 P CB 0.846 32.434 31.700 -0.187 0.000 0.802 70 D N 0.315 120.681 120.400 -0.056 0.000 2.201 70 D HA -0.028 5.127 4.640 0.858 0.000 0.209 70 D C 1.467 177.755 176.300 -0.020 0.000 0.961 70 D CA 0.971 54.962 54.000 -0.015 0.000 0.861 70 D CB 0.032 40.844 40.800 0.020 0.000 0.997 70 D HN 0.318 nan 8.370 nan 0.000 0.486 71 E N -0.145 120.034 120.200 -0.035 0.000 2.526 71 E HA 0.380 5.244 4.350 0.858 0.000 0.208 71 E C 0.182 176.747 176.600 -0.058 0.000 0.997 71 E CA -0.134 56.244 56.400 -0.037 0.000 0.961 71 E CB 1.506 31.188 29.700 -0.031 0.000 1.030 71 E HN 0.172 nan 8.360 nan 0.000 0.483 72 G N 2.011 110.767 108.800 -0.073 0.000 2.785 72 G HA2 -0.159 4.316 3.960 0.858 0.000 0.686 72 G HA3 -0.159 4.316 3.960 0.858 0.000 0.686 72 G C -1.026 173.800 174.900 -0.124 0.000 1.155 72 G CA -0.927 44.121 45.100 -0.088 0.000 0.760 72 G HN 0.014 nan 8.290 nan 0.000 0.624 73 D N 1.484 121.802 120.400 -0.136 0.000 2.488 73 D HA 0.423 5.578 4.640 0.858 0.000 0.238 73 D C 0.832 177.005 176.300 -0.211 0.000 1.138 73 D CA 1.385 55.282 54.000 -0.172 0.000 0.873 73 D CB 1.088 41.787 40.800 -0.168 0.000 1.183 73 D HN 0.776 nan 8.370 nan 0.000 0.458 74 D N -0.226 120.016 120.400 -0.262 0.000 2.781 74 D HA 0.623 5.778 4.640 0.858 0.000 0.295 74 D C -0.706 175.391 176.300 -0.338 0.000 1.143 74 D CA -0.710 53.095 54.000 -0.325 0.000 1.076 74 D CB 0.622 41.204 40.800 -0.364 0.000 1.444 74 D HN 0.264 nan 8.370 nan 0.000 0.567 75 I N -0.782 119.574 120.570 -0.358 0.000 2.499 75 I HA 0.463 5.148 4.170 0.858 0.000 0.288 75 I C -0.501 175.491 176.117 -0.207 0.000 1.048 75 I CA -0.804 60.334 61.300 -0.269 0.000 1.062 75 I CB 1.890 39.693 38.000 -0.328 0.000 1.238 75 I HN 0.125 nan 8.210 nan 0.000 0.426 76 R N 2.213 122.649 120.500 -0.107 0.000 2.740 76 R HA 0.431 5.286 4.340 0.858 0.000 0.282 76 R C 0.938 177.292 176.300 0.090 0.000 0.969 76 R CA -0.613 55.483 56.100 -0.006 0.000 0.918 76 R CB 2.129 32.449 30.300 0.033 0.000 1.175 76 R HN 0.756 nan 8.270 nan 0.000 0.464 77 T N -1.590 113.042 114.554 0.131 0.000 2.867 77 T HA -0.156 4.709 4.350 0.858 0.000 0.268 77 T C 1.498 176.033 174.700 -0.275 0.000 1.057 77 T CA 0.995 63.148 62.100 0.089 0.000 1.136 77 T CB -0.007 68.988 68.868 0.211 0.000 0.874 77 T HN 0.499 nan 8.240 nan 0.000 0.466 78 Q N 1.045 120.627 119.800 -0.365 0.000 2.030 78 Q HA -0.012 4.843 4.340 0.858 0.000 0.204 78 Q C 2.793 178.086 176.000 -1.177 0.000 0.986 78 Q CA 1.656 56.851 55.803 -1.013 0.000 0.843 78 Q CB -0.772 27.355 28.738 -1.018 0.000 0.904 78 Q HN 0.700 nan 8.270 nan 0.000 0.420 79 G N 0.304 108.891 108.800 -0.355 0.000 2.440 79 G HA2 -0.336 4.139 3.960 0.858 0.000 0.218 79 G HA3 -0.336 4.139 3.960 0.858 0.000 0.218 79 G C 1.334 176.318 174.900 0.140 0.000 1.154 79 G CA 1.047 46.233 45.100 0.143 0.000 0.767 79 G HN 0.225 nan 8.290 nan 0.000 0.552 80 Q N 1.267 121.126 119.800 0.098 0.000 2.050 80 Q HA -0.117 4.738 4.340 0.858 0.000 0.202 80 Q C 2.876 178.990 176.000 0.189 0.000 0.980 80 Q CA 2.291 58.231 55.803 0.230 0.000 0.840 80 Q CB -0.346 28.624 28.738 0.388 0.000 0.898 80 Q HN 0.550 nan 8.270 nan 0.000 0.424 81 S N -1.228 114.357 115.700 -0.191 0.000 2.383 81 S HA -0.131 4.854 4.470 0.858 0.000 0.227 81 S C 1.643 176.287 174.600 0.073 0.000 1.026 81 S CA 0.905 58.927 58.200 -0.296 0.000 0.981 81 S CB -0.798 61.841 63.200 -0.935 0.000 0.818 81 S HN 0.518 nan 8.310 nan 0.000 0.472 82 W N 2.305 123.573 121.300 -0.054 0.000 2.363 82 W HA 0.227 5.404 4.660 0.862 0.000 0.296 82 W C 2.764 179.403 176.519 0.199 0.000 1.212 82 W CA 0.272 57.605 57.345 -0.020 0.000 1.260 82 W CB -1.655 27.753 29.460 -0.088 0.000 1.131 82 W HN 0.504 nan 8.180 nan 0.000 0.530 83 G N 0.247 109.321 108.800 0.456 0.000 2.418 83 G HA2 -0.255 4.220 3.960 0.858 0.000 0.217 83 G HA3 -0.255 4.220 3.960 0.858 0.000 0.217 83 G C 1.625 176.838 174.900 0.521 0.000 1.158 83 G CA 1.117 46.540 45.100 0.539 0.000 0.771 83 G HN 0.120 nan 8.290 nan 0.000 0.545 84 M N 0.433 120.242 119.600 0.348 0.000 2.159 84 M HA -0.056 4.939 4.480 0.858 0.000 0.263 84 M C 2.787 179.291 176.300 0.339 0.000 1.063 84 M CA 1.639 57.032 55.300 0.155 0.000 1.110 84 M CB -0.428 32.066 32.600 -0.177 0.000 1.374 84 M HN 0.141 nan 8.290 nan 0.000 0.411 85 T N 0.678 115.468 114.554 0.393 0.000 2.708 85 T HA -0.121 4.744 4.350 0.858 0.000 0.266 85 T C 1.899 176.786 174.700 0.312 0.000 1.037 85 T CA 1.578 63.925 62.100 0.412 0.000 1.146 85 T CB -0.383 68.880 68.868 0.658 0.000 0.865 85 T HN 0.503 nan 8.240 nan 0.000 0.435 86 A N 1.549 124.599 122.820 0.385 0.000 1.883 86 A HA 0.097 4.932 4.320 0.858 0.000 0.217 86 A C 2.666 180.393 177.584 0.239 0.000 1.186 86 A CA 1.989 54.236 52.037 0.351 0.000 0.624 86 A CB -1.219 18.078 19.000 0.495 0.000 0.822 86 A HN 0.512 nan 8.150 nan 0.000 0.444 87 A N -0.818 122.188 122.820 0.311 0.000 1.883 87 A HA -0.072 4.763 4.320 0.858 0.000 0.217 87 A C 2.348 180.006 177.584 0.123 0.000 1.186 87 A CA 1.912 54.047 52.037 0.163 0.000 0.624 87 A CB -1.182 18.027 19.000 0.349 0.000 0.822 87 A HN 0.803 nan 8.150 nan 0.000 0.444 88 V N -0.124 119.918 119.914 0.213 0.000 2.490 88 V HA -0.222 4.413 4.120 0.858 0.000 0.250 88 V C 2.391 178.307 176.094 -0.296 0.000 1.061 88 V CA 2.213 64.414 62.300 -0.165 0.000 1.064 88 V CB -0.507 31.025 31.823 -0.485 0.000 0.670 88 V HN 0.527 nan 8.190 nan 0.000 0.461 89 M N -0.764 118.725 119.600 -0.185 0.000 2.279 89 M HA -0.022 4.973 4.480 0.858 0.000 0.264 89 M C 1.753 177.955 176.300 -0.163 0.000 1.062 89 M CA 1.650 56.846 55.300 -0.173 0.000 1.099 89 M CB -0.864 31.652 32.600 -0.140 0.000 1.394 89 M HN 0.294 nan 8.290 nan 0.000 0.426 90 L N -0.824 120.268 121.223 -0.218 0.000 2.700 90 L HA 0.145 5.000 4.340 0.858 0.000 0.234 90 L C 0.163 176.880 176.870 -0.256 0.000 1.156 90 L CA -0.240 54.429 54.840 -0.285 0.000 0.946 90 L CB -0.227 41.528 42.059 -0.506 0.000 1.216 90 L HN 0.303 nan 8.230 nan 0.000 0.493 91 N N 1.433 120.052 118.700 -0.135 0.000 2.758 91 N HA -0.143 5.112 4.740 0.858 0.000 0.248 91 N C -0.511 174.990 175.510 -0.015 0.000 1.076 91 N CA 0.653 53.736 53.050 0.054 0.000 0.696 91 N CB -0.450 38.032 38.487 -0.008 0.000 0.979 91 N HN 0.109 nan 8.380 nan 0.000 0.550 92 K N 0.985 121.346 120.400 -0.066 0.000 2.291 92 K HA 0.158 4.993 4.320 0.858 0.000 0.242 92 K C 1.073 177.605 176.600 -0.114 0.000 1.098 92 K CA -0.301 55.871 56.287 -0.192 0.000 1.036 92 K CB 1.002 33.234 32.500 -0.446 0.000 1.655 92 K HN 0.465 nan 8.250 nan 0.000 0.432 93 Q N 1.673 121.222 119.800 -0.418 0.000 2.083 93 Q HA -0.119 4.736 4.340 0.858 0.000 0.198 93 Q C 1.015 176.905 176.000 -0.183 0.000 0.969 93 Q CA 1.316 56.634 55.803 -0.808 0.000 0.838 93 Q CB 0.448 28.397 28.738 -1.315 0.000 0.900 93 Q HN 0.373 nan 8.270 nan 0.000 0.436 94 E N 0.611 120.763 120.200 -0.079 0.000 2.051 94 E HA -0.209 4.656 4.350 0.858 0.000 0.192 94 E C 1.869 178.608 176.600 0.231 0.000 0.991 94 E CA 1.317 57.773 56.400 0.094 0.000 0.799 94 E CB 0.029 29.761 29.700 0.053 0.000 0.748 94 E HN 0.399 nan 8.360 nan 0.000 0.449 95 E N 0.362 120.667 120.200 0.177 0.000 2.058 95 E HA -0.171 4.694 4.350 0.858 0.000 0.194 95 E C 1.759 178.627 176.600 0.447 0.000 0.997 95 E CA 0.907 57.451 56.400 0.240 0.000 0.801 95 E CB -0.418 29.275 29.700 -0.011 0.000 0.746 95 E HN 0.180 nan 8.360 nan 0.000 0.450 96 F N 1.797 121.915 119.950 0.280 0.000 2.069 96 F HA -0.249 4.793 4.527 0.858 0.000 0.298 96 F C 1.663 177.748 175.800 0.476 0.000 1.113 96 F CA 1.859 60.090 58.000 0.385 0.000 1.214 96 F CB -0.219 39.032 39.000 0.418 0.000 0.978 96 F HN -0.056 nan 8.300 nan 0.000 0.474 97 D N 0.061 120.948 120.400 0.811 0.000 2.117 97 D HA -0.179 4.976 4.640 0.858 0.000 0.197 97 D C 1.938 178.670 176.300 0.721 0.000 0.987 97 D CA 1.265 55.790 54.000 0.874 0.000 0.829 97 D CB -0.581 40.679 40.800 0.767 0.000 0.961 97 D HN 0.301 nan 8.370 nan 0.000 0.460 98 N N 0.254 119.324 118.700 0.616 0.000 2.166 98 N HA -0.069 5.186 4.740 0.858 0.000 0.186 98 N C 2.039 177.919 175.510 0.617 0.000 1.019 98 N CA 0.408 53.848 53.050 0.650 0.000 0.856 98 N CB -0.311 38.574 38.487 0.663 0.000 0.993 98 N HN 0.262 nan 8.380 nan 0.000 0.426 99 L N -0.695 120.865 121.223 0.562 0.000 2.072 99 L HA -0.079 4.776 4.340 0.858 0.000 0.205 99 L C 2.415 179.555 176.870 0.448 0.000 1.079 99 L CA 0.824 55.960 54.840 0.493 0.000 0.752 99 L CB -0.337 41.986 42.059 0.439 0.000 0.906 99 L HN 0.359 nan 8.230 nan 0.000 0.436 100 W N 1.496 122.847 121.300 0.085 0.000 2.358 100 W HA -0.227 4.948 4.660 0.858 0.000 0.303 100 W C 2.648 179.164 176.519 -0.005 0.000 1.208 100 W CA 1.088 58.364 57.345 -0.115 0.000 1.274 100 W CB -0.044 29.198 29.460 -0.363 0.000 1.138 100 W HN 0.122 nan 8.180 nan 0.000 0.515 101 R N -0.055 120.514 120.500 0.115 0.000 2.091 101 R HA -0.265 4.590 4.340 0.858 0.000 0.238 101 R C 2.372 178.668 176.300 -0.008 0.000 1.136 101 R CA 2.174 58.364 56.100 0.150 0.000 0.959 101 R CB -1.129 29.431 30.300 0.433 0.000 0.856 101 R HN 0.217 nan 8.270 nan 0.000 0.437 102 F N 0.758 120.756 119.950 0.080 0.000 2.102 102 F HA -0.147 4.895 4.527 0.859 0.000 0.298 102 F C 2.157 177.969 175.800 0.021 0.000 1.105 102 F CA 1.591 59.690 58.000 0.166 0.000 1.239 102 F CB -0.509 38.691 39.000 0.334 0.000 0.991 102 F HN 0.105 nan 8.300 nan 0.000 0.474 103 A N 0.051 123.011 122.820 0.234 0.000 1.865 103 A HA -0.256 4.579 4.320 0.858 0.000 0.217 103 A C 2.300 179.759 177.584 -0.208 0.000 1.191 103 A CA 2.019 54.119 52.037 0.105 0.000 0.623 103 A CB -0.918 18.091 19.000 0.015 0.000 0.826 103 A HN 0.440 nan 8.150 nan 0.000 0.444 104 K N -0.716 119.277 120.400 -0.678 0.000 2.097 104 K HA -0.072 4.763 4.320 0.858 0.000 0.206 104 K C 2.134 178.433 176.600 -0.501 0.000 1.049 104 K CA 1.139 57.013 56.287 -0.687 0.000 0.933 104 K CB -0.244 31.649 32.500 -1.012 0.000 0.717 104 K HN 0.434 nan 8.250 nan 0.000 0.442 105 A N -0.429 122.028 122.820 -0.605 0.000 1.898 105 A HA -0.075 4.760 4.320 0.858 0.000 0.214 105 A C 1.333 178.451 177.584 -0.777 0.000 1.183 105 A CA 1.068 52.626 52.037 -0.799 0.000 0.622 105 A CB -0.245 17.996 19.000 -1.266 0.000 0.824 105 A HN 0.343 nan 8.150 nan 0.000 0.444 106 Y N -1.411 118.622 120.300 -0.445 0.000 2.589 106 Y HA 0.199 5.264 4.550 0.858 0.000 0.271 106 Y C 2.358 178.044 175.900 -0.357 0.000 1.107 106 Y CA 0.358 58.156 58.100 -0.503 0.000 1.273 106 Y CB -0.119 37.766 38.460 -0.959 0.000 1.266 106 Y HN 0.273 nan 8.280 nan 0.000 0.504 107 Q N 0.627 120.352 119.800 -0.126 0.000 2.204 107 Q HA -0.003 4.852 4.340 0.858 0.000 0.198 107 Q C 0.763 176.600 176.000 -0.272 0.000 0.946 107 Q CA 0.301 56.094 55.803 -0.017 0.000 0.859 107 Q CB 0.333 29.259 28.738 0.314 0.000 0.946 107 Q HN 0.103 nan 8.270 nan 0.000 0.474 108 K N 2.374 122.402 120.400 -0.619 0.000 2.436 108 K HA -0.008 4.827 4.320 0.858 0.000 0.282 108 K C -0.638 175.694 176.600 -0.447 0.000 1.044 108 K CA -0.131 55.555 56.287 -1.002 0.000 1.028 108 K CB 0.386 32.341 32.500 -0.907 0.000 0.919 108 K HN 0.047 nan 8.250 nan 0.000 0.474 109 N N 5.765 124.264 118.700 -0.335 0.000 2.513 109 N HA 0.138 5.393 4.740 0.858 0.000 0.268 109 N C -2.420 173.037 175.510 -0.088 0.000 1.180 109 N CA -1.209 51.766 53.050 -0.125 0.000 0.948 109 N CB 0.692 39.122 38.487 -0.096 0.000 1.083 109 N HN 0.478 nan 8.380 nan 0.000 0.455 110 P HA -0.002 nan 4.420 nan 0.000 0.267 110 P C 0.081 177.397 177.300 0.026 0.000 1.200 110 P CA -0.028 63.068 63.100 -0.006 0.000 0.772 110 P CB 0.931 32.635 31.700 0.007 0.000 0.855 111 D N 1.442 121.844 120.400 0.004 0.000 2.310 111 D HA -0.112 5.043 4.640 0.858 0.000 0.212 111 D C 1.052 177.373 176.300 0.036 0.000 0.965 111 D CA 1.242 55.254 54.000 0.019 0.000 0.879 111 D CB -0.230 40.577 40.800 0.011 0.000 0.921 111 D HN 0.518 nan 8.370 nan 0.000 0.510 112 N N 0.025 118.745 118.700 0.035 0.000 2.273 112 N HA -0.114 5.141 4.740 0.858 0.000 0.231 112 N C 0.232 175.771 175.510 0.048 0.000 1.134 112 N CA -0.320 52.750 53.050 0.032 0.000 0.856 112 N CB -0.683 37.807 38.487 0.004 0.000 1.068 112 N HN 0.099 nan 8.380 nan 0.000 0.510 113 H N 2.780 121.844 119.070 -0.011 0.000 3.064 113 H HA 0.016 5.088 4.556 0.859 0.000 0.329 113 H C -1.204 174.129 175.328 0.008 0.000 1.020 113 H CA -0.372 55.675 56.048 -0.003 0.000 1.402 113 H CB 1.306 31.070 29.762 0.002 0.000 1.379 113 H HN 0.079 nan 8.280 nan 0.000 0.594 114 P HA -0.156 nan 4.420 nan 0.000 0.217 114 P C 0.355 177.762 177.300 0.179 0.000 1.148 114 P CA 1.038 64.165 63.100 0.044 0.000 0.828 114 P CB 0.258 31.929 31.700 -0.048 0.000 0.783 115 D N -0.413 120.238 120.400 0.418 0.000 2.347 115 D HA 0.292 5.447 4.640 0.858 0.000 0.235 115 D C 1.208 177.604 176.300 0.160 0.000 1.149 115 D CA -0.306 53.856 54.000 0.269 0.000 0.850 115 D CB 1.098 42.056 40.800 0.264 0.000 1.061 115 D HN -0.103 nan 8.370 nan 0.000 0.487 116 A N 4.909 127.788 122.820 0.098 0.000 1.978 116 A HA -0.189 4.646 4.320 0.858 0.000 0.220 116 A C 1.912 179.498 177.584 0.002 0.000 1.170 116 A CA 1.242 53.307 52.037 0.048 0.000 0.636 116 A CB -0.212 18.806 19.000 0.031 0.000 0.810 116 A HN 0.620 nan 8.150 nan 0.000 0.448 117 K N -0.677 119.712 120.400 -0.018 0.000 2.365 117 K HA -0.031 4.803 4.320 0.858 0.000 0.199 117 K C 1.461 177.992 176.600 -0.115 0.000 1.045 117 K CA 1.105 57.320 56.287 -0.120 0.000 0.962 117 K CB -0.016 32.307 32.500 -0.294 0.000 0.759 117 K HN 0.409 nan 8.250 nan 0.000 0.469 118 K N 0.508 120.848 120.400 -0.101 0.000 2.367 118 K HA 0.056 4.891 4.320 0.858 0.000 0.194 118 K C -0.057 176.461 176.600 -0.138 0.000 1.027 118 K CA -0.023 56.155 56.287 -0.182 0.000 1.075 118 K CB 0.543 32.746 32.500 -0.495 0.000 0.845 118 K HN 0.121 nan 8.250 nan 0.000 0.529 119 Q N 0.337 120.104 119.800 -0.055 0.000 2.244 119 Q HA 0.041 4.896 4.340 0.858 0.000 0.278 119 Q C 0.807 176.810 176.000 0.004 0.000 1.093 119 Q CA 0.756 56.561 55.803 0.003 0.000 0.916 119 Q CB 0.500 29.258 28.738 0.033 0.000 1.159 119 Q HN 0.474 nan 8.270 nan 0.000 0.384 120 G N 1.334 110.127 108.800 -0.011 0.000 2.212 120 G HA2 -0.313 4.162 3.960 0.858 0.000 0.266 120 G HA3 -0.313 4.162 3.960 0.858 0.000 0.266 120 G C 0.338 175.281 174.900 0.071 0.000 0.978 120 G CA 0.283 45.391 45.100 0.012 0.000 0.632 120 G HN 0.736 nan 8.290 nan 0.000 0.537 121 V N -2.311 117.637 119.914 0.057 0.000 3.214 121 V HA 0.767 5.401 4.120 0.858 0.000 0.306 121 V C 0.278 176.440 176.094 0.112 0.000 1.078 121 V CA -1.422 60.990 62.300 0.186 0.000 1.077 121 V CB 1.035 32.931 31.823 0.120 0.000 1.121 121 V HN 0.319 nan 8.190 nan 0.000 0.468 122 Y N 1.604 121.986 120.300 0.137 0.000 2.342 122 Y HA 0.695 5.760 4.550 0.858 0.000 0.338 122 Y C 0.814 176.814 175.900 0.168 0.000 0.965 122 Y CA -0.197 58.006 58.100 0.172 0.000 1.159 122 Y CB 1.051 39.707 38.460 0.328 0.000 1.157 122 Y HN 1.035 nan 8.280 nan 0.000 0.486 123 A N 5.222 128.131 122.820 0.148 0.000 2.537 123 A HA -0.055 4.780 4.320 0.858 0.000 0.260 123 A C 1.190 178.876 177.584 0.170 0.000 1.082 123 A CA -0.296 51.814 52.037 0.121 0.000 0.765 123 A CB -0.189 18.815 19.000 0.006 0.000 1.019 123 A HN 1.107 nan 8.150 nan 0.000 0.507 124 W N 3.150 124.481 121.300 0.051 0.000 2.425 124 W HA 0.062 5.236 4.660 0.858 0.000 0.277 124 W C 0.089 176.605 176.519 -0.004 0.000 1.231 124 W CA 0.857 58.222 57.345 0.033 0.000 1.248 124 W CB -0.018 29.449 29.460 0.013 0.000 1.117 124 W HN 0.555 nan 8.180 nan 0.000 0.568 125 K N 1.368 121.283 120.400 -0.809 0.000 2.545 125 K HA 0.378 5.213 4.320 0.858 0.000 0.252 125 K C -1.660 174.600 176.600 -0.568 0.000 0.948 125 K CA -0.602 55.125 56.287 -0.933 0.000 0.827 125 K CB 1.377 32.950 32.500 -1.545 0.000 1.128 125 K HN -0.150 nan 8.250 nan 0.000 0.429 126 L N 2.925 123.873 121.223 -0.457 0.000 2.322 126 L HA 0.584 5.439 4.340 0.858 0.000 0.269 126 L C -0.405 176.119 176.870 -0.576 0.000 1.012 126 L CA -0.422 54.129 54.840 -0.482 0.000 0.815 126 L CB 1.782 43.653 42.059 -0.314 0.000 1.295 126 L HN 0.571 nan 8.230 nan 0.000 0.438 127 K N 0.919 120.849 120.400 -0.784 0.000 2.480 127 K HA 0.642 5.477 4.320 0.858 0.000 0.258 127 K C -1.566 174.750 176.600 -0.473 0.000 0.990 127 K CA -0.847 55.071 56.287 -0.616 0.000 0.857 127 K CB 2.245 34.423 32.500 -0.538 0.000 1.384 127 K HN 0.347 nan 8.250 nan 0.000 0.446 128 L N 2.986 124.069 121.223 -0.233 0.000 2.305 128 L HA 0.242 5.097 4.340 0.858 0.000 0.281 128 L C 0.443 177.407 176.870 0.158 0.000 1.085 128 L CA -0.850 53.965 54.840 -0.042 0.000 0.813 128 L CB 0.495 42.506 42.059 -0.081 0.000 1.157 128 L HN 0.733 nan 8.230 nan 0.000 0.436 129 N N 2.082 120.947 118.700 0.274 0.000 2.285 129 N HA 0.055 5.310 4.740 0.858 0.000 0.262 129 N C 0.845 176.385 175.510 0.050 0.000 1.299 129 N CA 0.238 53.380 53.050 0.154 0.000 0.930 129 N CB 0.214 38.678 38.487 -0.038 0.000 1.157 129 N HN 0.554 nan 8.380 nan 0.000 0.532 130 Q N -0.943 118.860 119.800 0.005 0.000 2.364 130 Q HA -0.092 4.762 4.340 0.858 0.000 0.209 130 Q C 0.884 176.877 176.000 -0.011 0.000 0.977 130 Q CA 1.627 57.425 55.803 -0.009 0.000 0.885 130 Q CB -0.974 27.751 28.738 -0.020 0.000 0.941 130 Q HN 0.691 nan 8.270 nan 0.000 0.464 131 N N -1.248 117.463 118.700 0.018 0.000 2.280 131 N HA 0.262 5.517 4.740 0.858 0.000 0.192 131 N C 1.103 176.493 175.510 -0.200 0.000 1.109 131 N CA 0.914 53.966 53.050 0.004 0.000 0.855 131 N CB 1.291 39.887 38.487 0.182 0.000 0.974 131 N HN 0.674 nan 8.380 nan 0.000 0.482 132 G N 0.324 109.027 108.800 -0.162 0.000 2.159 132 G HA2 -0.235 4.240 3.960 0.858 0.000 0.227 132 G HA3 -0.235 4.240 3.960 0.858 0.000 0.227 132 G C -0.314 174.429 174.900 -0.263 0.000 0.986 132 G CA -0.411 44.534 45.100 -0.257 0.000 0.651 132 G HN 0.203 nan 8.290 nan 0.000 0.523 133 F N -0.037 119.964 119.950 0.084 0.000 2.422 133 F HA 0.664 5.706 4.527 0.858 0.000 0.333 133 F C 0.859 176.702 175.800 0.072 0.000 1.095 133 F CA -0.930 57.142 58.000 0.120 0.000 1.038 133 F CB 1.837 40.870 39.000 0.053 0.000 1.156 133 F HN 0.017 nan 8.300 nan 0.000 0.483 134 V N 4.978 124.964 119.914 0.119 0.000 2.715 134 V HA 0.297 4.932 4.120 0.858 0.000 0.299 134 V C -1.048 175.040 176.094 -0.009 0.000 1.054 134 V CA -0.015 62.154 62.300 -0.219 0.000 1.077 134 V CB 0.589 31.909 31.823 -0.839 0.000 0.972 134 V HN 0.694 nan 8.190 nan 0.000 0.484 135 Y N 3.284 123.471 120.300 -0.189 0.000 2.609 135 Y HA 0.630 5.696 4.550 0.859 0.000 0.336 135 Y C -0.888 174.927 175.900 -0.142 0.000 1.129 135 Y CA -1.748 56.272 58.100 -0.133 0.000 1.040 135 Y CB 1.196 39.603 38.460 -0.088 0.000 1.310 135 Y HN 0.489 nan 8.280 nan 0.000 0.460 136 K N 2.016 122.361 120.400 -0.092 0.000 2.276 136 K HA 0.419 5.254 4.320 0.858 0.000 0.285 136 K C 0.040 176.558 176.600 -0.137 0.000 1.062 136 K CA -0.452 55.731 56.287 -0.173 0.000 0.918 136 K CB 2.055 34.520 32.500 -0.058 0.000 1.055 136 K HN 0.667 nan 8.250 nan 0.000 0.477 137 V N 1.093 120.820 119.914 -0.312 0.000 2.446 137 V HA -0.079 4.556 4.120 0.858 0.000 0.244 137 V C 0.409 176.437 176.094 -0.109 0.000 1.039 137 V CA 1.203 63.390 62.300 -0.189 0.000 1.045 137 V CB -0.067 31.563 31.823 -0.322 0.000 0.681 137 V HN 0.791 nan 8.190 nan 0.000 0.459 138 D N -0.887 119.404 120.400 -0.182 0.000 2.686 138 D HA 0.234 5.389 4.640 0.858 0.000 0.249 138 D C 0.462 176.766 176.300 0.007 0.000 1.260 138 D CA -0.285 53.687 54.000 -0.046 0.000 0.910 138 D CB 2.041 42.845 40.800 0.006 0.000 1.323 138 D HN 0.194 nan 8.370 nan 0.000 0.561 139 E N 1.417 121.659 120.200 0.070 0.000 2.358 139 E HA 0.117 4.982 4.350 0.858 0.000 0.195 139 E C 1.091 177.768 176.600 0.127 0.000 1.010 139 E CA -0.053 56.389 56.400 0.070 0.000 0.856 139 E CB 0.336 30.068 29.700 0.054 0.000 0.795 139 E HN 0.477 nan 8.360 nan 0.000 0.504 140 G N 3.271 112.201 108.800 0.218 0.000 2.491 140 G HA2 0.117 4.591 3.960 0.858 0.000 0.238 140 G HA3 0.117 4.591 3.960 0.858 0.000 0.238 140 G C -2.353 172.719 174.900 0.287 0.000 1.277 140 G CA -0.878 44.370 45.100 0.247 0.000 0.851 140 G HN -0.034 nan 8.290 nan 0.000 0.573 141 P HA 0.416 nan 4.420 nan 0.000 0.278 141 P C -0.809 176.501 177.300 0.018 0.000 1.258 141 P CA -0.478 62.713 63.100 0.152 0.000 0.811 141 P CB 1.742 33.506 31.700 0.106 0.000 1.063 142 A N 2.517 125.359 122.820 0.036 0.000 2.511 142 A HA 0.483 5.318 4.320 0.858 0.000 0.340 142 A C -1.786 175.673 177.584 -0.207 0.000 1.396 142 A CA -1.648 50.313 52.037 -0.126 0.000 0.887 142 A CB 0.055 19.009 19.000 -0.077 0.000 1.145 142 A HN 0.258 nan 8.150 nan 0.000 0.497 143 P HA -0.213 nan 4.420 nan 0.000 0.220 143 P C 0.971 178.102 177.300 -0.283 0.000 1.144 143 P CA 1.635 64.623 63.100 -0.187 0.000 0.800 143 P CB 0.204 31.874 31.700 -0.049 0.000 0.772 144 D N -1.208 118.780 120.400 -0.686 0.000 2.310 144 D HA -0.074 5.081 4.640 0.858 0.000 0.212 144 D C 2.014 178.312 176.300 -0.003 0.000 0.965 144 D CA 1.228 55.080 54.000 -0.246 0.000 0.879 144 D CB -1.279 39.412 40.800 -0.182 0.000 0.921 144 D HN 0.127 nan 8.370 nan 0.000 0.510 145 G N 0.946 109.635 108.800 -0.187 0.000 2.433 145 G HA2 -0.299 4.176 3.960 0.858 0.000 0.216 145 G HA3 -0.299 4.176 3.960 0.858 0.000 0.216 145 G C 1.599 176.310 174.900 -0.315 0.000 1.186 145 G CA 0.751 45.643 45.100 -0.346 0.000 0.779 145 G HN 0.263 nan 8.290 nan 0.000 0.543 146 E N 0.633 120.830 120.200 -0.005 0.000 2.118 146 E HA -0.067 4.798 4.350 0.858 0.000 0.195 146 E C 2.445 179.147 176.600 0.171 0.000 0.992 146 E CA 1.228 57.733 56.400 0.175 0.000 0.804 146 E CB -0.131 29.683 29.700 0.190 0.000 0.741 146 E HN 0.615 nan 8.360 nan 0.000 0.458 147 E N -0.544 119.772 120.200 0.194 0.000 2.058 147 E HA -0.212 4.653 4.350 0.858 0.000 0.194 147 E C 1.866 178.666 176.600 0.334 0.000 0.997 147 E CA 1.180 57.773 56.400 0.322 0.000 0.801 147 E CB -0.231 29.681 29.700 0.352 0.000 0.746 147 E HN 0.371 nan 8.360 nan 0.000 0.450 148 Y N -0.495 119.946 120.300 0.234 0.000 2.293 148 Y HA -0.178 4.886 4.550 0.857 0.000 0.291 148 Y C 2.026 178.026 175.900 0.167 0.000 1.137 148 Y CA 0.858 59.116 58.100 0.264 0.000 1.202 148 Y CB -0.104 38.511 38.460 0.258 0.000 0.990 148 Y HN 0.018 nan 8.280 nan 0.000 0.537 149 F N -0.490 119.568 119.950 0.180 0.000 2.069 149 F HA -0.279 4.764 4.527 0.860 0.000 0.298 149 F C 2.497 178.205 175.800 -0.153 0.000 1.113 149 F CA 1.084 59.045 58.000 -0.065 0.000 1.214 149 F CB -1.350 37.531 39.000 -0.198 0.000 0.978 149 F HN 0.012 nan 8.300 nan 0.000 0.474 150 A N -0.407 122.461 122.820 0.079 0.000 1.883 150 A HA -0.246 4.589 4.320 0.858 0.000 0.217 150 A C 2.179 179.743 177.584 -0.032 0.000 1.186 150 A CA 1.638 53.594 52.037 -0.135 0.000 0.624 150 A CB -1.501 17.256 19.000 -0.405 0.000 0.822 150 A HN 0.356 nan 8.150 nan 0.000 0.444 151 F N 1.021 120.966 119.950 -0.009 0.000 2.069 151 F HA -0.127 4.916 4.527 0.860 0.000 0.298 151 F C 2.560 178.271 175.800 -0.149 0.000 1.113 151 F CA 1.459 59.376 58.000 -0.139 0.000 1.214 151 F CB -0.622 37.893 39.000 -0.808 0.000 0.978 151 F HN 0.249 nan 8.300 nan 0.000 0.474 152 A N 0.501 123.289 122.820 -0.053 0.000 1.902 152 A HA -0.151 4.684 4.320 0.858 0.000 0.217 152 A C 2.299 179.829 177.584 -0.090 0.000 1.181 152 A CA 1.923 53.935 52.037 -0.042 0.000 0.623 152 A CB -1.244 17.911 19.000 0.258 0.000 0.818 152 A HN 0.514 nan 8.150 nan 0.000 0.443 153 L N -0.787 120.382 121.223 -0.089 0.000 2.093 153 L HA -0.137 4.718 4.340 0.858 0.000 0.208 153 L C 2.539 179.288 176.870 -0.202 0.000 1.085 153 L CA 0.835 55.585 54.840 -0.150 0.000 0.755 153 L CB -0.437 41.444 42.059 -0.297 0.000 0.904 153 L HN 0.365 nan 8.230 nan 0.000 0.435 154 L N -0.420 120.689 121.223 -0.190 0.000 2.046 154 L HA -0.220 4.635 4.340 0.858 0.000 0.208 154 L C 2.391 179.158 176.870 -0.172 0.000 1.077 154 L CA 1.157 55.928 54.840 -0.115 0.000 0.747 154 L CB -0.555 41.469 42.059 -0.057 0.000 0.896 154 L HN 0.395 nan 8.230 nan 0.000 0.432 155 N N -0.047 118.434 118.700 -0.364 0.000 2.188 155 N HA -0.131 5.124 4.740 0.858 0.000 0.184 155 N C 1.873 176.902 175.510 -0.802 0.000 1.018 155 N CA 1.391 54.131 53.050 -0.516 0.000 0.858 155 N CB -0.035 38.019 38.487 -0.722 0.000 0.989 155 N HN 0.305 nan 8.380 nan 0.000 0.426 156 A N 0.708 122.932 122.820 -0.994 0.000 1.902 156 A HA -0.150 4.685 4.320 0.858 0.000 0.217 156 A C 2.461 179.453 177.584 -0.986 0.000 1.181 156 A CA 1.938 53.014 52.037 -1.602 0.000 0.623 156 A CB -0.877 16.888 19.000 -2.058 0.000 0.818 156 A HN 0.333 nan 8.150 nan 0.000 0.443 157 S N -0.163 115.283 115.700 -0.423 0.000 2.359 157 S HA -0.123 4.862 4.470 0.858 0.000 0.224 157 S C 2.173 176.680 174.600 -0.155 0.000 1.035 157 S CA 1.892 60.073 58.200 -0.032 0.000 1.018 157 S CB -0.536 62.758 63.200 0.157 0.000 0.876 157 S HN 0.897 nan 8.310 nan 0.000 0.448 158 A N 1.440 124.109 122.820 -0.251 0.000 1.930 158 A HA -0.005 4.830 4.320 0.858 0.000 0.217 158 A C 2.336 179.743 177.584 -0.295 0.000 1.175 158 A CA 1.240 53.145 52.037 -0.219 0.000 0.627 158 A CB -0.472 18.456 19.000 -0.120 0.000 0.815 158 A HN 0.632 nan 8.150 nan 0.000 0.443 159 R N -2.156 117.997 120.500 -0.578 0.000 2.100 159 R HA -0.036 4.819 4.340 0.858 0.000 0.220 159 R C 1.296 177.398 176.300 -0.331 0.000 1.091 159 R CA 1.082 56.771 56.100 -0.686 0.000 0.986 159 R CB -0.060 29.426 30.300 -1.357 0.000 0.888 159 R HN 0.734 nan 8.270 nan 0.000 0.444 160 W N 0.022 121.186 121.300 -0.225 0.000 2.868 160 W HA 0.389 5.564 4.660 0.858 0.000 0.320 160 W C 0.695 177.220 176.519 0.011 0.000 1.076 160 W CA 0.359 57.635 57.345 -0.115 0.000 1.576 160 W CB -0.206 29.171 29.460 -0.140 0.000 1.030 160 W HN 0.177 nan 8.180 nan 0.000 0.558 161 G N 2.050 110.964 108.800 0.190 0.000 2.828 161 G HA2 -0.267 4.208 3.960 0.858 0.000 0.463 161 G HA3 -0.267 4.208 3.960 0.858 0.000 0.463 161 G C 0.146 175.210 174.900 0.273 0.000 1.394 161 G CA -0.046 45.152 45.100 0.164 0.000 0.862 161 G HN 0.143 nan 8.290 nan 0.000 0.540 162 N N 0.093 118.891 118.700 0.163 0.000 2.299 162 N HA 0.183 5.438 4.740 0.858 0.000 0.246 162 N C 1.448 176.995 175.510 0.062 0.000 1.254 162 N CA 0.650 53.780 53.050 0.134 0.000 0.879 162 N CB 0.935 39.509 38.487 0.144 0.000 1.214 162 N HN 0.872 nan 8.380 nan 0.000 0.510 163 S N -1.667 114.068 115.700 0.058 0.000 2.539 163 S HA 0.263 5.247 4.470 0.858 0.000 0.221 163 S C 1.139 175.743 174.600 0.007 0.000 0.987 163 S CA -0.400 57.817 58.200 0.028 0.000 0.929 163 S CB 0.713 63.931 63.200 0.029 0.000 0.832 163 S HN 0.184 nan 8.310 nan 0.000 0.492 164 G N 1.637 110.439 108.800 0.003 0.000 2.666 164 G HA2 0.299 4.774 3.960 0.858 0.000 0.207 164 G HA3 0.299 4.774 3.960 0.858 0.000 0.207 164 G C 0.523 175.360 174.900 -0.104 0.000 1.481 164 G CA -0.013 45.071 45.100 -0.026 0.000 1.071 164 G HN 0.330 nan 8.290 nan 0.000 0.572 165 E N -1.214 118.883 120.200 -0.171 0.000 2.085 165 E HA -0.097 4.768 4.350 0.858 0.000 0.194 165 E C -0.216 176.058 176.600 -0.544 0.000 0.994 165 E CA 0.706 56.869 56.400 -0.394 0.000 0.801 165 E CB -0.086 29.287 29.700 -0.545 0.000 0.743 165 E HN 0.179 nan 8.360 nan 0.000 0.453 166 F N 0.481 120.337 119.950 -0.156 0.000 2.469 166 F HA 0.284 5.327 4.527 0.859 0.000 0.332 166 F C 0.313 175.900 175.800 -0.356 0.000 1.103 166 F CA -1.196 56.663 58.000 -0.235 0.000 0.979 166 F CB 1.249 40.076 39.000 -0.288 0.000 1.137 166 F HN -0.187 nan 8.300 nan 0.000 0.463 167 N N 2.924 121.674 118.700 0.084 0.000 2.807 167 N HA 0.011 5.266 4.740 0.858 0.000 0.259 167 N C 0.652 176.256 175.510 0.156 0.000 1.149 167 N CA 0.169 53.274 53.050 0.092 0.000 1.042 167 N CB -0.112 38.456 38.487 0.134 0.000 1.367 167 N HN 0.495 nan 8.380 nan 0.000 0.516 168 Y N 1.480 121.934 120.300 0.257 0.000 2.151 168 Y HA -0.267 4.798 4.550 0.859 0.000 0.284 168 Y C 1.910 177.845 175.900 0.058 0.000 1.166 168 Y CA 1.419 59.591 58.100 0.121 0.000 1.163 168 Y CB -0.736 37.748 38.460 0.040 0.000 0.974 168 Y HN 0.545 nan 8.280 nan 0.000 0.511 169 Y N 0.913 121.312 120.300 0.164 0.000 2.145 169 Y HA -0.284 4.781 4.550 0.858 0.000 0.286 169 Y C 2.443 178.389 175.900 0.077 0.000 1.145 169 Y CA 1.898 60.049 58.100 0.084 0.000 1.148 169 Y CB -0.681 37.826 38.460 0.079 0.000 0.981 169 Y HN 0.167 nan 8.280 nan 0.000 0.507 170 N N 0.024 118.816 118.700 0.154 0.000 2.166 170 N HA -0.182 5.073 4.740 0.858 0.000 0.186 170 N C 1.348 176.876 175.510 0.030 0.000 1.019 170 N CA 1.736 54.832 53.050 0.075 0.000 0.856 170 N CB -0.296 38.279 38.487 0.147 0.000 0.993 170 N HN 0.305 nan 8.380 nan 0.000 0.426 171 D N -0.240 120.217 120.400 0.095 0.000 2.144 171 D HA -0.086 5.069 4.640 0.858 0.000 0.199 171 D C 1.767 178.042 176.300 -0.042 0.000 0.984 171 D CA 1.219 55.296 54.000 0.129 0.000 0.834 171 D CB -0.497 40.461 40.800 0.263 0.000 0.955 171 D HN 0.417 nan 8.370 nan 0.000 0.465 172 A N 0.926 123.647 122.820 -0.165 0.000 1.873 172 A HA -0.132 4.703 4.320 0.858 0.000 0.215 172 A C 2.125 179.529 177.584 -0.300 0.000 1.186 172 A CA 0.820 52.693 52.037 -0.273 0.000 0.616 172 A CB -0.446 18.363 19.000 -0.318 0.000 0.823 172 A HN 0.108 nan 8.150 nan 0.000 0.442 173 I N 0.301 120.661 120.570 -0.350 0.000 2.286 173 I HA -0.160 4.525 4.170 0.858 0.000 0.248 173 I C 2.456 178.507 176.117 -0.110 0.000 1.115 173 I CA 1.840 62.980 61.300 -0.267 0.000 1.392 173 I CB -1.999 35.828 38.000 -0.288 0.000 1.065 173 I HN 0.231 nan 8.210 nan 0.000 0.418 174 T N 0.853 115.373 114.554 -0.056 0.000 2.746 174 T HA -0.227 4.638 4.350 0.858 0.000 0.267 174 T C 1.896 176.618 174.700 0.038 0.000 1.039 174 T CA 1.606 63.719 62.100 0.021 0.000 1.142 174 T CB -0.227 68.687 68.868 0.077 0.000 0.866 174 T HN 0.159 nan 8.240 nan 0.000 0.444 175 M N 0.826 120.430 119.600 0.006 0.000 2.117 175 M HA 0.052 5.047 4.480 0.858 0.000 0.262 175 M C 1.870 178.162 176.300 -0.013 0.000 1.065 175 M CA 1.457 56.763 55.300 0.011 0.000 1.114 175 M CB -0.645 31.916 32.600 -0.065 0.000 1.361 175 M HN 0.182 nan 8.290 nan 0.000 0.408 176 L N -0.519 120.639 121.223 -0.107 0.000 2.046 176 L HA -0.238 4.617 4.340 0.858 0.000 0.208 176 L C 2.259 179.236 176.870 0.179 0.000 1.077 176 L CA 1.648 56.467 54.840 -0.035 0.000 0.747 176 L CB -0.972 40.986 42.059 -0.168 0.000 0.896 176 L HN 0.410 nan 8.230 nan 0.000 0.432 177 N N -0.477 118.272 118.700 0.082 0.000 2.104 177 N HA -0.177 5.078 4.740 0.858 0.000 0.190 177 N C 1.692 177.238 175.510 0.059 0.000 1.024 177 N CA 1.935 55.016 53.050 0.052 0.000 0.853 177 N CB -0.021 38.479 38.487 0.022 0.000 1.008 177 N HN 0.110 nan 8.380 nan 0.000 0.424 178 T N 0.405 115.010 114.554 0.086 0.000 2.746 178 T HA -0.034 4.831 4.350 0.858 0.000 0.267 178 T C 1.867 176.639 174.700 0.120 0.000 1.039 178 T CA 1.148 63.310 62.100 0.103 0.000 1.142 178 T CB -0.230 68.728 68.868 0.149 0.000 0.866 178 T HN 0.219 nan 8.240 nan 0.000 0.444 179 I N 0.811 121.482 120.570 0.169 0.000 2.179 179 I HA -0.196 4.489 4.170 0.858 0.000 0.242 179 I C 2.591 178.826 176.117 0.197 0.000 1.088 179 I CA 1.393 62.830 61.300 0.229 0.000 1.357 179 I CB -0.318 37.898 38.000 0.359 0.000 1.051 179 I HN 0.181 nan 8.210 nan 0.000 0.409 180 K N 0.922 121.421 120.400 0.164 0.000 2.032 180 K HA -0.193 4.642 4.320 0.858 0.000 0.209 180 K C 1.811 178.383 176.600 -0.047 0.000 1.048 180 K CA 1.783 58.052 56.287 -0.030 0.000 0.927 180 K CB 0.017 32.336 32.500 -0.301 0.000 0.712 180 K HN 0.266 nan 8.250 nan 0.000 0.441 181 N N -0.113 118.571 118.700 -0.027 0.000 2.415 181 N HA -0.030 5.225 4.740 0.858 0.000 0.176 181 N C 0.955 176.455 175.510 -0.017 0.000 1.042 181 N CA 0.757 53.786 53.050 -0.034 0.000 0.902 181 N CB 0.424 38.892 38.487 -0.031 0.000 0.986 181 N HN 0.161 nan 8.380 nan 0.000 0.447 182 K N -0.105 120.299 120.400 0.007 0.000 2.436 182 K HA 0.331 5.166 4.320 0.858 0.000 0.198 182 K C 0.999 177.592 176.600 -0.011 0.000 1.174 182 K CA 0.190 56.471 56.287 -0.011 0.000 0.951 182 K CB 1.058 33.561 32.500 0.005 0.000 1.040 182 K HN 0.091 nan 8.250 nan 0.000 0.536 183 L N 0.596 121.841 121.223 0.038 0.000 3.122 183 L HA 0.358 5.213 4.340 0.858 0.000 0.274 183 L C -0.163 176.752 176.870 0.075 0.000 1.222 183 L CA -0.114 54.760 54.840 0.056 0.000 1.028 183 L CB 0.376 42.494 42.059 0.099 0.000 1.386 183 L HN -0.078 nan 8.230 nan 0.000 0.578 184 M N 0.727 120.359 119.600 0.054 0.000 2.465 184 M HA 0.376 5.371 4.480 0.858 0.000 0.316 184 M C -0.797 175.516 176.300 0.022 0.000 1.121 184 M CA -0.053 55.278 55.300 0.052 0.000 0.934 184 M CB 2.563 35.206 32.600 0.072 0.000 1.692 184 M HN -0.020 nan 8.290 nan 0.000 0.444 185 E N 1.888 122.098 120.200 0.017 0.000 2.185 185 E HA 0.324 5.189 4.350 0.858 0.000 0.261 185 E C -0.788 175.809 176.600 -0.005 0.000 0.879 185 E CA -0.153 56.249 56.400 0.004 0.000 0.756 185 E CB 0.580 30.282 29.700 0.004 0.000 1.152 185 E HN 0.795 nan 8.360 nan 0.000 0.416 186 N N 4.660 123.355 118.700 -0.008 0.000 2.699 186 N HA -0.274 4.981 4.740 0.858 0.000 0.256 186 N C -0.554 174.920 175.510 -0.059 0.000 0.993 186 N CA 0.990 54.026 53.050 -0.024 0.000 0.759 186 N CB -0.654 37.819 38.487 -0.023 0.000 0.906 186 N HN 0.741 nan 8.380 nan 0.000 0.541 187 Q N -2.676 117.076 119.800 -0.079 0.000 2.460 187 Q HA -0.218 4.637 4.340 0.858 0.000 0.248 187 Q C -0.721 175.181 176.000 -0.163 0.000 0.847 187 Q CA 0.867 56.545 55.803 -0.208 0.000 1.214 187 Q CB -0.687 27.841 28.738 -0.351 0.000 1.523 187 Q HN 0.552 nan 8.270 nan 0.000 0.602 188 I N 0.845 121.377 120.570 -0.063 0.000 2.406 188 I HA 0.312 4.996 4.170 0.858 0.000 0.290 188 I C 0.542 176.666 176.117 0.011 0.000 0.999 188 I CA -1.201 60.096 61.300 -0.004 0.000 1.124 188 I CB 1.186 39.226 38.000 0.066 0.000 1.289 188 I HN 0.061 nan 8.210 nan 0.000 0.441 189 I N 6.966 127.518 120.570 -0.030 0.000 2.752 189 I HA -0.048 4.637 4.170 0.858 0.000 0.289 189 I C 0.799 176.997 176.117 0.135 0.000 1.197 189 I CA 0.520 61.857 61.300 0.060 0.000 1.432 189 I CB 0.142 38.186 38.000 0.074 0.000 1.359 189 I HN 0.514 nan 8.210 nan 0.000 0.571 190 R N 5.711 126.300 120.500 0.150 0.000 2.490 190 R HA 0.141 4.996 4.340 0.858 0.000 0.278 190 R C 0.576 177.028 176.300 0.252 0.000 1.069 190 R CA -0.293 55.895 56.100 0.147 0.000 1.080 190 R CB 0.552 30.894 30.300 0.070 0.000 1.030 190 R HN 0.723 nan 8.270 nan 0.000 0.491 191 F N 0.443 120.424 119.950 0.053 0.000 2.163 191 F HA 0.022 5.063 4.527 0.858 0.000 0.297 191 F C 0.650 176.475 175.800 0.042 0.000 1.094 191 F CA 0.945 58.970 58.000 0.042 0.000 1.290 191 F CB 0.414 39.327 39.000 -0.145 0.000 1.017 191 F HN 0.354 nan 8.300 nan 0.000 0.483 192 S N -1.159 114.537 115.700 -0.008 0.000 2.536 192 S HA 0.384 5.369 4.470 0.858 0.000 0.271 192 S C -2.184 172.362 174.600 -0.089 0.000 1.134 192 S CA -1.246 56.894 58.200 -0.101 0.000 0.897 192 S CB 1.538 64.704 63.200 -0.057 0.000 1.094 192 S HN -0.170 nan 8.310 nan 0.000 0.473 193 P HA -0.019 nan 4.420 nan 0.000 0.221 193 P C 0.036 177.061 177.300 -0.459 0.000 1.145 193 P CA 1.174 64.033 63.100 -0.403 0.000 0.795 193 P CB -0.071 31.223 31.700 -0.677 0.000 0.775 194 Y N -1.782 118.494 120.300 -0.039 0.000 2.457 194 Y HA 0.288 5.352 4.550 0.858 0.000 0.263 194 Y C 1.053 176.931 175.900 -0.037 0.000 1.164 194 Y CA -0.196 57.884 58.100 -0.033 0.000 1.274 194 Y CB -0.004 38.435 38.460 -0.036 0.000 1.097 194 Y HN -0.135 nan 8.280 nan 0.000 0.523 195 I N 0.106 120.707 120.570 0.052 0.000 2.533 195 I HA 0.286 4.971 4.170 0.858 0.000 0.290 195 I C -0.957 175.166 176.117 0.010 0.000 1.056 195 I CA -0.967 60.346 61.300 0.022 0.000 1.057 195 I CB 1.904 39.886 38.000 -0.030 0.000 1.240 195 I HN -0.162 nan 8.210 nan 0.000 0.423 196 D N 3.499 123.905 120.400 0.010 0.000 2.385 196 D HA 0.202 5.356 4.640 0.858 0.000 0.254 196 D C 0.354 176.653 176.300 -0.002 0.000 1.053 196 D CA -0.204 53.798 54.000 0.003 0.000 0.992 196 D CB 0.806 41.608 40.800 0.003 0.000 1.145 196 D HN 0.566 nan 8.370 nan 0.000 0.523 197 N N -0.348 118.349 118.700 -0.005 0.000 2.727 197 N HA -0.219 5.036 4.740 0.858 0.000 0.249 197 N C -1.590 173.903 175.510 -0.029 0.000 1.048 197 N CA 0.301 53.342 53.050 -0.015 0.000 0.714 197 N CB -0.980 37.498 38.487 -0.016 0.000 0.959 197 N HN 0.314 nan 8.380 nan 0.000 0.544 198 L N -0.084 121.127 121.223 -0.020 0.000 2.516 198 L HA 0.675 5.530 4.340 0.858 0.000 0.267 198 L C -0.357 176.511 176.870 -0.004 0.000 0.957 198 L CA -0.174 54.637 54.840 -0.048 0.000 0.860 198 L CB 1.867 43.888 42.059 -0.065 0.000 1.265 198 L HN 0.137 nan 8.230 nan 0.000 0.403 199 T N 1.828 116.351 114.554 -0.052 0.000 2.887 199 T HA 0.497 5.362 4.350 0.858 0.000 0.292 199 T C -1.920 172.685 174.700 -0.159 0.000 1.087 199 T CA -0.456 61.647 62.100 0.005 0.000 1.009 199 T CB 1.447 70.404 68.868 0.148 0.000 1.203 199 T HN 0.652 nan 8.240 nan 0.000 0.518 200 D N 1.607 121.890 120.400 -0.196 0.000 2.440 200 D HA 0.396 5.551 4.640 0.858 0.000 0.239 200 D C -1.845 174.366 176.300 -0.149 0.000 1.084 200 D CA -2.218 51.553 54.000 -0.382 0.000 0.843 200 D CB 2.083 42.373 40.800 -0.850 0.000 1.097 200 D HN 0.125 nan 8.370 nan 0.000 0.531 201 P HA -0.192 nan 4.420 nan 0.000 0.217 201 P C 1.381 178.775 177.300 0.156 0.000 1.148 201 P CA 1.340 64.371 63.100 -0.114 0.000 0.834 201 P CB 0.171 31.613 31.700 -0.431 0.000 0.783 202 S N -2.601 113.196 115.700 0.163 0.000 2.507 202 S HA -0.166 4.819 4.470 0.858 0.000 0.235 202 S C 1.559 176.464 174.600 0.508 0.000 0.988 202 S CA 0.789 59.180 58.200 0.319 0.000 0.944 202 S CB -1.281 62.126 63.200 0.346 0.000 0.762 202 S HN 0.075 nan 8.310 nan 0.000 0.526 203 Y N 1.346 121.816 120.300 0.283 0.000 2.546 203 Y HA 0.257 5.321 4.550 0.858 0.000 0.287 203 Y C 1.045 177.036 175.900 0.152 0.000 1.158 203 Y CA -0.804 57.435 58.100 0.231 0.000 1.307 203 Y CB -0.837 37.731 38.460 0.181 0.000 1.036 203 Y HN 0.437 nan 8.280 nan 0.000 0.532 204 H N 0.877 120.137 119.070 0.316 0.000 2.846 204 H HA 0.296 5.367 4.556 0.858 0.000 0.278 204 H C -0.476 174.908 175.328 0.093 0.000 1.117 204 H CA 0.040 56.250 56.048 0.270 0.000 1.406 204 H CB 0.427 30.318 29.762 0.216 0.000 1.445 204 H HN 0.038 nan 8.280 nan 0.000 0.469 205 I N 6.300 126.817 120.570 -0.088 0.000 2.668 205 I HA 0.165 4.850 4.170 0.858 0.000 0.276 205 I C -1.900 173.870 176.117 -0.579 0.000 1.139 205 I CA -1.723 59.301 61.300 -0.460 0.000 1.133 205 I CB 1.743 39.087 38.000 -1.094 0.000 1.327 205 I HN 0.267 nan 8.210 nan 0.000 0.520 206 P HA -0.236 nan 4.420 nan 0.000 0.216 206 P C 1.693 179.005 177.300 0.021 0.000 1.153 206 P CA 1.362 64.540 63.100 0.129 0.000 0.858 206 P CB 0.331 32.220 31.700 0.315 0.000 0.789 207 A N -1.353 121.473 122.820 0.011 0.000 1.978 207 A HA -0.212 4.623 4.320 0.858 0.000 0.220 207 A C 1.926 179.612 177.584 0.170 0.000 1.170 207 A CA 1.401 53.550 52.037 0.186 0.000 0.636 207 A CB -1.706 17.435 19.000 0.236 0.000 0.810 207 A HN 0.043 nan 8.150 nan 0.000 0.448 208 F N -0.833 118.812 119.950 -0.508 0.000 2.126 208 F HA -0.148 4.896 4.527 0.861 0.000 0.299 208 F C 2.218 177.287 175.800 -1.219 0.000 1.096 208 F CA 0.732 58.135 58.000 -0.994 0.000 1.255 208 F CB -1.425 36.841 39.000 -1.224 0.000 0.997 208 F HN 0.379 nan 8.300 nan 0.000 0.479 209 Y N -0.089 120.013 120.300 -0.329 0.000 2.242 209 Y HA -0.158 4.906 4.550 0.858 0.000 0.291 209 Y C 2.317 178.282 175.900 0.108 0.000 1.137 209 Y CA 0.618 58.658 58.100 -0.099 0.000 1.181 209 Y CB -1.315 37.313 38.460 0.281 0.000 0.989 209 Y HN 0.050 nan 8.280 nan 0.000 0.527 210 D N -0.894 119.682 120.400 0.292 0.000 2.117 210 D HA -0.222 4.933 4.640 0.858 0.000 0.197 210 D C 1.975 178.509 176.300 0.389 0.000 0.987 210 D CA 1.380 55.601 54.000 0.368 0.000 0.829 210 D CB -0.549 40.503 40.800 0.419 0.000 0.961 210 D HN 0.404 nan 8.370 nan 0.000 0.460 211 Y N 1.007 121.349 120.300 0.070 0.000 2.181 211 Y HA -0.240 4.826 4.550 0.859 0.000 0.288 211 Y C 2.036 177.990 175.900 0.091 0.000 1.146 211 Y CA 1.282 59.351 58.100 -0.051 0.000 1.164 211 Y CB -0.433 37.624 38.460 -0.672 0.000 0.982 211 Y HN -0.194 nan 8.280 nan 0.000 0.515 212 F N 0.318 120.198 119.950 -0.117 0.000 2.095 212 F HA -0.207 4.836 4.527 0.859 0.000 0.298 212 F C 2.727 178.435 175.800 -0.152 0.000 1.104 212 F CA 0.959 58.742 58.000 -0.361 0.000 1.232 212 F CB -1.718 36.800 39.000 -0.803 0.000 0.987 212 F HN 0.172 nan 8.300 nan 0.000 0.475 213 A N 0.319 123.323 122.820 0.306 0.000 1.908 213 A HA -0.221 4.614 4.320 0.858 0.000 0.218 213 A C 1.978 179.693 177.584 0.218 0.000 1.181 213 A CA 2.000 54.251 52.037 0.357 0.000 0.627 213 A CB -0.837 18.394 19.000 0.385 0.000 0.818 213 A HN 0.371 nan 8.150 nan 0.000 0.445 214 N N 0.117 118.934 118.700 0.195 0.000 2.515 214 N HA -0.014 5.241 4.740 0.858 0.000 0.185 214 N C 0.570 176.168 175.510 0.148 0.000 1.109 214 N CA 0.520 53.674 53.050 0.173 0.000 0.903 214 N CB -0.164 38.483 38.487 0.266 0.000 0.969 214 N HN 0.548 nan 8.380 nan 0.000 0.450 215 N N 0.109 118.856 118.700 0.079 0.000 2.170 215 N HA 0.053 5.308 4.740 0.858 0.000 0.222 215 N C -0.055 175.575 175.510 0.200 0.000 1.218 215 N CA 0.031 53.198 53.050 0.194 0.000 0.889 215 N CB 1.844 40.297 38.487 -0.056 0.000 1.083 215 N HN 0.020 nan 8.380 nan 0.000 0.520 216 V N -0.875 119.070 119.914 0.052 0.000 2.834 216 V HA 0.472 5.107 4.120 0.858 0.000 0.313 216 V C 1.481 177.483 176.094 -0.153 0.000 1.060 216 V CA -0.496 61.826 62.300 0.037 0.000 0.989 216 V CB 1.307 33.212 31.823 0.137 0.000 1.041 216 V HN 0.062 nan 8.190 nan 0.000 0.459 217 T N 0.110 114.583 114.554 -0.134 0.000 2.983 217 T HA 0.090 4.955 4.350 0.858 0.000 0.250 217 T C 0.713 175.347 174.700 -0.109 0.000 1.037 217 T CA 0.705 62.657 62.100 -0.246 0.000 1.142 217 T CB -0.665 68.090 68.868 -0.189 0.000 0.876 217 T HN 0.970 nan 8.240 nan 0.000 0.455 218 N N 1.033 119.716 118.700 -0.029 0.000 2.530 218 N HA 0.174 5.429 4.740 0.858 0.000 0.277 218 N C 1.004 176.525 175.510 0.019 0.000 1.168 218 N CA -0.721 52.327 53.050 -0.003 0.000 0.979 218 N CB 0.991 39.484 38.487 0.010 0.000 1.141 218 N HN 0.212 nan 8.380 nan 0.000 0.459 219 Q N 1.848 121.658 119.800 0.017 0.000 2.061 219 Q HA -0.270 4.585 4.340 0.858 0.000 0.204 219 Q C 1.800 177.830 176.000 0.050 0.000 0.984 219 Q CA 1.994 57.816 55.803 0.032 0.000 0.846 219 Q CB -0.382 28.370 28.738 0.023 0.000 0.902 219 Q HN 0.872 nan 8.270 nan 0.000 0.421 220 A N 0.954 123.797 122.820 0.039 0.000 1.908 220 A HA -0.229 4.606 4.320 0.858 0.000 0.218 220 A C 1.797 179.423 177.584 0.071 0.000 1.181 220 A CA 1.887 53.949 52.037 0.041 0.000 0.627 220 A CB -0.647 18.360 19.000 0.012 0.000 0.818 220 A HN 0.478 nan 8.150 nan 0.000 0.445 221 D N -0.595 119.850 120.400 0.074 0.000 2.149 221 D HA -0.073 5.082 4.640 0.858 0.000 0.201 221 D C 1.942 178.410 176.300 0.280 0.000 0.972 221 D CA 0.954 55.034 54.000 0.133 0.000 0.835 221 D CB -0.153 40.730 40.800 0.139 0.000 0.966 221 D HN 0.463 nan 8.370 nan 0.000 0.476 222 K N 0.581 121.111 120.400 0.216 0.000 2.032 222 K HA -0.143 4.692 4.320 0.858 0.000 0.209 222 K C 1.864 178.602 176.600 0.230 0.000 1.048 222 K CA 1.132 57.560 56.287 0.234 0.000 0.927 222 K CB -0.169 32.412 32.500 0.134 0.000 0.712 222 K HN 0.059 nan 8.250 nan 0.000 0.441 223 N N 0.048 118.843 118.700 0.158 0.000 2.166 223 N HA -0.183 5.072 4.740 0.858 0.000 0.186 223 N C 1.634 177.207 175.510 0.105 0.000 1.019 223 N CA 0.988 54.109 53.050 0.119 0.000 0.856 223 N CB -0.247 38.288 38.487 0.079 0.000 0.993 223 N HN 0.216 nan 8.380 nan 0.000 0.426 224 Y N -0.218 120.064 120.300 -0.031 0.000 2.097 224 Y HA -0.267 4.799 4.550 0.858 0.000 0.282 224 Y C 1.569 177.373 175.900 -0.160 0.000 1.152 224 Y CA 1.707 59.700 58.100 -0.179 0.000 1.136 224 Y CB -0.454 37.791 38.460 -0.359 0.000 0.975 224 Y HN 0.159 nan 8.280 nan 0.000 0.498 225 W N -0.390 121.034 121.300 0.206 0.000 2.436 225 W HA -0.077 5.097 4.660 0.858 0.000 0.284 225 W C 2.790 179.381 176.519 0.119 0.000 1.225 225 W CA 1.687 59.143 57.345 0.185 0.000 1.271 225 W CB -0.514 29.175 29.460 0.383 0.000 1.114 225 W HN -0.030 nan 8.180 nan 0.000 0.559 226 R N 0.702 121.387 120.500 0.308 0.000 2.096 226 R HA -0.189 4.666 4.340 0.858 0.000 0.235 226 R C 1.598 177.965 176.300 0.112 0.000 1.127 226 R CA 2.022 58.253 56.100 0.218 0.000 0.968 226 R CB -1.323 29.081 30.300 0.174 0.000 0.861 226 R HN 0.422 nan 8.270 nan 0.000 0.440 227 Q N -0.046 119.753 119.800 -0.003 0.000 2.119 227 Q HA -0.036 4.819 4.340 0.858 0.000 0.201 227 Q C 2.355 178.270 176.000 -0.141 0.000 0.972 227 Q CA 1.527 57.278 55.803 -0.088 0.000 0.847 227 Q CB -0.118 28.522 28.738 -0.164 0.000 0.903 227 Q HN 0.416 nan 8.270 nan 0.000 0.433 228 V N 0.978 120.743 119.914 -0.247 0.000 2.332 228 V HA -0.317 4.317 4.120 0.858 0.000 0.248 228 V C 2.247 178.289 176.094 -0.085 0.000 1.055 228 V CA 1.839 63.962 62.300 -0.295 0.000 1.038 228 V CB -1.061 30.509 31.823 -0.421 0.000 0.651 228 V HN 0.434 nan 8.190 nan 0.000 0.450 229 A N -0.199 122.726 122.820 0.174 0.000 1.883 229 A HA -0.256 4.579 4.320 0.858 0.000 0.217 229 A C 2.416 180.135 177.584 0.225 0.000 1.186 229 A CA 2.695 54.951 52.037 0.366 0.000 0.624 229 A CB -1.106 18.121 19.000 0.379 0.000 0.822 229 A HN 0.500 nan 8.150 nan 0.000 0.444 230 T N -0.085 114.546 114.554 0.128 0.000 2.708 230 T HA -0.134 4.731 4.350 0.858 0.000 0.266 230 T C 1.909 176.623 174.700 0.024 0.000 1.037 230 T CA 1.787 63.931 62.100 0.074 0.000 1.146 230 T CB -0.214 68.681 68.868 0.044 0.000 0.865 230 T HN 0.538 nan 8.240 nan 0.000 0.435 231 K N 0.795 121.194 120.400 -0.001 0.000 2.211 231 K HA 0.020 4.855 4.320 0.858 0.000 0.203 231 K C 2.697 179.307 176.600 0.017 0.000 1.050 231 K CA 0.880 57.151 56.287 -0.025 0.000 0.945 231 K CB -0.141 32.323 32.500 -0.060 0.000 0.732 231 K HN 0.155 nan 8.250 nan 0.000 0.451 232 S N 0.774 116.539 115.700 0.109 0.000 2.371 232 S HA -0.061 4.924 4.470 0.858 0.000 0.224 232 S C 1.873 176.528 174.600 0.092 0.000 1.029 232 S CA 0.832 59.200 58.200 0.281 0.000 0.978 232 S CB 0.062 63.590 63.200 0.546 0.000 0.833 232 S HN 0.218 nan 8.310 nan 0.000 0.466 233 R N 0.129 120.653 120.500 0.040 0.000 2.096 233 R HA -0.053 4.801 4.340 0.858 0.000 0.235 233 R C 2.409 178.427 176.300 -0.470 0.000 1.127 233 R CA 1.829 57.801 56.100 -0.213 0.000 0.968 233 R CB -0.963 29.311 30.300 -0.044 0.000 0.861 233 R HN 0.392 nan 8.270 nan 0.000 0.440 234 T N 2.253 116.650 114.554 -0.262 0.000 2.708 234 T HA -0.108 4.757 4.350 0.858 0.000 0.266 234 T C 1.717 176.267 174.700 -0.251 0.000 1.037 234 T CA 0.901 62.848 62.100 -0.255 0.000 1.146 234 T CB -0.202 68.580 68.868 -0.144 0.000 0.865 234 T HN 0.116 nan 8.240 nan 0.000 0.435 235 L N 0.963 122.058 121.223 -0.212 0.000 2.012 235 L HA -0.053 4.802 4.340 0.858 0.000 0.210 235 L C 2.227 178.932 176.870 -0.275 0.000 1.073 235 L CA 1.854 56.545 54.840 -0.248 0.000 0.748 235 L CB -1.016 40.842 42.059 -0.335 0.000 0.891 235 L HN 0.340 nan 8.230 nan 0.000 0.431 236 L N -0.245 120.795 121.223 -0.306 0.000 2.056 236 L HA -0.236 4.619 4.340 0.858 0.000 0.207 236 L C 2.740 179.550 176.870 -0.101 0.000 1.078 236 L CA 1.224 55.972 54.840 -0.153 0.000 0.749 236 L CB -0.442 41.596 42.059 -0.035 0.000 0.901 236 L HN 0.256 nan 8.230 nan 0.000 0.433 237 K N -0.071 120.030 120.400 -0.500 0.000 2.032 237 K HA -0.176 4.659 4.320 0.858 0.000 0.209 237 K C 1.933 178.464 176.600 -0.115 0.000 1.048 237 K CA 1.569 57.623 56.287 -0.388 0.000 0.927 237 K CB -0.206 31.936 32.500 -0.597 0.000 0.712 237 K HN 0.288 nan 8.250 nan 0.000 0.441 238 N N 0.331 118.947 118.700 -0.141 0.000 2.142 238 N HA -0.166 5.089 4.740 0.858 0.000 0.186 238 N C 1.754 177.228 175.510 -0.060 0.000 1.023 238 N CA 1.240 54.237 53.050 -0.089 0.000 0.852 238 N CB -0.508 37.920 38.487 -0.099 0.000 0.998 238 N HN 0.301 nan 8.380 nan 0.000 0.424 239 H N -0.169 118.791 119.070 -0.183 0.000 2.321 239 H HA -0.010 5.059 4.556 0.856 0.000 0.300 239 H C 1.591 176.756 175.328 -0.272 0.000 1.087 239 H CA 1.588 57.475 56.048 -0.268 0.000 1.319 239 H CB -0.359 29.178 29.762 -0.375 0.000 1.379 239 H HN 0.094 nan 8.280 nan 0.000 0.501 240 F N -0.141 119.760 119.950 -0.081 0.000 2.234 240 F HA -0.140 4.897 4.527 0.850 0.000 0.299 240 F C 2.664 178.400 175.800 -0.108 0.000 1.087 240 F CA 1.560 59.507 58.000 -0.088 0.000 1.340 240 F CB -0.647 38.380 39.000 0.045 0.000 1.031 240 F HN 0.153 nan 8.300 nan 0.000 0.500 241 T N -0.226 114.364 114.554 0.060 0.000 2.746 241 T HA -0.193 4.672 4.350 0.858 0.000 0.267 241 T C 1.979 176.638 174.700 -0.068 0.000 1.039 241 T CA 1.377 63.475 62.100 -0.003 0.000 1.142 241 T CB -0.185 68.671 68.868 -0.020 0.000 0.866 241 T HN 0.202 nan 8.240 nan 0.000 0.444 242 K N 0.918 121.240 120.400 -0.131 0.000 2.217 242 K HA 0.012 4.847 4.320 0.858 0.000 0.202 242 K C 2.235 178.736 176.600 -0.166 0.000 1.051 242 K CA 0.998 57.197 56.287 -0.148 0.000 0.952 242 K CB -0.097 32.303 32.500 -0.165 0.000 0.736 242 K HN 0.387 nan 8.250 nan 0.000 0.453 243 V N -1.838 117.904 119.914 -0.287 0.000 3.649 243 V HA 0.091 4.726 4.120 0.858 0.000 0.275 243 V C 0.551 176.571 176.094 -0.123 0.000 1.281 243 V CA -0.184 61.974 62.300 -0.237 0.000 1.143 243 V CB 0.146 31.696 31.823 -0.456 0.000 0.892 243 V HN -0.076 nan 8.190 nan 0.000 0.441 244 S N 1.586 117.227 115.700 -0.098 0.000 2.533 244 S HA 0.520 5.505 4.470 0.858 0.000 0.282 244 S C 1.042 175.517 174.600 -0.208 0.000 1.304 244 S CA 0.582 58.732 58.200 -0.084 0.000 1.063 244 S CB 0.236 63.412 63.200 -0.039 0.000 0.881 244 S HN 1.502 nan 8.310 nan 0.000 0.493 245 G N 2.952 111.597 108.800 -0.259 0.000 2.598 245 G HA2 -0.256 4.219 3.960 0.858 0.000 0.269 245 G HA3 -0.256 4.219 3.960 0.858 0.000 0.269 245 G C 0.172 174.306 174.900 -1.276 0.000 1.289 245 G CA -0.120 44.600 45.100 -0.632 0.000 0.926 245 G HN 0.974 nan 8.290 nan 0.000 0.567 246 S N 1.245 115.992 115.700 -1.588 0.000 2.560 246 S HA 0.471 5.456 4.470 0.858 0.000 0.284 246 S C -0.171 174.032 174.600 -0.663 0.000 1.327 246 S CA 0.083 57.497 58.200 -1.310 0.000 1.055 246 S CB 0.963 63.772 63.200 -0.652 0.000 0.868 246 S HN 0.677 nan 8.310 nan 0.000 0.506 247 P HA 0.195 nan 4.420 nan 0.000 0.267 247 P C 0.360 177.398 177.300 -0.436 0.000 1.289 247 P CA 0.238 63.015 63.100 -0.539 0.000 0.866 247 P CB 0.140 31.594 31.700 -0.409 0.000 1.309 248 H N -2.007 116.918 119.070 -0.241 0.000 2.551 248 H HA 0.081 5.149 4.556 0.854 0.000 0.266 248 H C 0.071 175.304 175.328 -0.157 0.000 0.964 248 H CA 0.296 56.273 56.048 -0.119 0.000 1.180 248 H CB -0.346 29.318 29.762 -0.164 0.000 1.408 248 H HN 0.145 nan 8.280 nan 0.000 0.563 249 W N 1.568 122.806 121.300 -0.104 0.000 5.963 249 W HA -0.303 4.874 4.660 0.862 0.000 0.400 249 W C 0.011 176.301 176.519 -0.383 0.000 1.530 249 W CA 0.499 57.703 57.345 -0.235 0.000 1.004 249 W CB -2.288 27.008 29.460 -0.274 0.000 2.706 249 W HN 0.373 nan 8.180 nan 0.000 1.495 250 N N -2.536 116.121 118.700 -0.073 0.000 2.948 250 N HA -0.201 5.054 4.740 0.858 0.000 0.239 250 N C -0.334 175.136 175.510 -0.066 0.000 0.954 250 N CA 1.619 54.655 53.050 -0.024 0.000 0.941 250 N CB -1.440 37.089 38.487 0.070 0.000 1.101 250 N HN 0.389 nan 8.380 nan 0.000 0.579 251 L N 1.848 122.943 121.223 -0.214 0.000 2.317 251 L HA 0.503 5.358 4.340 0.858 0.000 0.281 251 L C -1.834 174.986 176.870 -0.082 0.000 1.024 251 L CA -1.557 53.166 54.840 -0.194 0.000 0.810 251 L CB 1.703 43.465 42.059 -0.495 0.000 1.240 251 L HN -0.207 nan 8.230 nan 0.000 0.427 252 P HA 0.152 nan 4.420 nan 0.000 0.274 252 P C -0.654 176.790 177.300 0.240 0.000 1.246 252 P CA -0.265 62.834 63.100 -0.002 0.000 0.795 252 P CB 1.017 32.705 31.700 -0.020 0.000 1.006 253 T N -2.207 112.526 114.554 0.299 0.000 2.949 253 T HA 0.293 5.158 4.350 0.858 0.000 0.287 253 T C 0.867 175.650 174.700 0.138 0.000 1.034 253 T CA -0.569 61.641 62.100 0.183 0.000 1.018 253 T CB 0.503 69.399 68.868 0.047 0.000 1.135 253 T HN 0.210 nan 8.240 nan 0.000 0.532 254 F N 1.337 121.272 119.950 -0.026 0.000 2.065 254 F HA 0.225 5.267 4.527 0.858 0.000 0.298 254 F C 0.251 175.941 175.800 -0.183 0.000 1.112 254 F CA 0.940 58.886 58.000 -0.089 0.000 1.212 254 F CB -0.531 38.422 39.000 -0.078 0.000 0.975 254 F HN 0.451 nan 8.300 nan 0.000 0.476 255 L N -0.251 120.691 121.223 -0.469 0.000 2.354 255 L HA 0.466 5.321 4.340 0.858 0.000 0.269 255 L C -0.413 176.235 176.870 -0.371 0.000 1.005 255 L CA -0.767 53.688 54.840 -0.641 0.000 0.819 255 L CB 1.865 43.390 42.059 -0.890 0.000 1.311 255 L HN -0.057 nan 8.230 nan 0.000 0.423 256 S N 0.975 116.468 115.700 -0.346 0.000 2.546 256 S HA 0.619 5.604 4.470 0.858 0.000 0.274 256 S C -0.768 173.724 174.600 -0.181 0.000 1.121 256 S CA -0.886 57.167 58.200 -0.245 0.000 0.887 256 S CB 1.612 64.594 63.200 -0.363 0.000 1.094 256 S HN 0.453 nan 8.310 nan 0.000 0.474 257 R N 2.221 122.649 120.500 -0.120 0.000 2.726 257 R HA 0.329 5.184 4.340 0.858 0.000 0.272 257 R C 1.323 177.576 176.300 -0.079 0.000 1.097 257 R CA -0.511 55.538 56.100 -0.085 0.000 1.198 257 R CB -0.261 30.003 30.300 -0.060 0.000 1.114 257 R HN 0.767 nan 8.270 nan 0.000 0.550 258 L N 0.986 122.177 121.223 -0.055 0.000 2.456 258 L HA -0.142 4.713 4.340 0.858 0.000 0.224 258 L C 1.161 177.996 176.870 -0.058 0.000 1.148 258 L CA 1.084 55.896 54.840 -0.046 0.000 0.825 258 L CB -0.447 41.596 42.059 -0.026 0.000 0.937 258 L HN 0.605 nan 8.230 nan 0.000 0.450 259 D N -0.848 119.518 120.400 -0.056 0.000 2.328 259 D HA 0.051 5.206 4.640 0.858 0.000 0.221 259 D C 1.413 177.675 176.300 -0.063 0.000 1.072 259 D CA 0.711 54.677 54.000 -0.057 0.000 0.850 259 D CB 0.376 41.148 40.800 -0.045 0.000 0.922 259 D HN 0.208 nan 8.370 nan 0.000 0.516 260 G N -0.276 108.484 108.800 -0.068 0.000 2.175 260 G HA2 -0.265 4.210 3.960 0.858 0.000 0.244 260 G HA3 -0.265 4.210 3.960 0.858 0.000 0.244 260 G C 0.255 175.174 174.900 0.032 0.000 0.982 260 G CA 0.135 45.216 45.100 -0.030 0.000 0.641 260 G HN 0.379 nan 8.290 nan 0.000 0.527 261 S N 2.838 118.523 115.700 -0.025 0.000 2.498 261 S HA 0.442 5.427 4.470 0.858 0.000 0.281 261 S C -1.935 172.639 174.600 -0.043 0.000 1.265 261 S CA -0.483 57.694 58.200 -0.038 0.000 1.071 261 S CB 1.218 64.398 63.200 -0.033 0.000 0.894 261 S HN 0.275 nan 8.310 nan 0.000 0.491 262 P HA 0.031 nan 4.420 nan 0.000 0.264 262 P C -0.602 176.645 177.300 -0.088 0.000 1.183 262 P CA -0.158 62.867 63.100 -0.124 0.000 0.763 262 P CB 0.333 31.796 31.700 -0.395 0.000 0.807 263 V N 5.520 125.360 119.914 -0.125 0.000 2.508 263 V HA 0.050 4.685 4.120 0.858 0.000 0.281 263 V C 0.651 176.691 176.094 -0.091 0.000 1.041 263 V CA 0.119 62.346 62.300 -0.121 0.000 1.016 263 V CB 0.085 31.787 31.823 -0.201 0.000 0.984 263 V HN 0.359 nan 8.190 nan 0.000 0.478 264 I N 5.019 125.569 120.570 -0.034 0.000 2.331 264 I HA 0.574 5.259 4.170 0.858 0.000 0.292 264 I C 0.973 177.061 176.117 -0.049 0.000 0.998 264 I CA 0.596 61.901 61.300 0.009 0.000 1.267 264 I CB 0.130 38.192 38.000 0.103 0.000 1.386 264 I HN 0.887 nan 8.210 nan 0.000 0.476 265 G N 6.635 115.364 108.800 -0.119 0.000 2.569 265 G HA2 -0.293 4.182 3.960 0.858 0.000 0.259 265 G HA3 -0.293 4.182 3.960 0.858 0.000 0.259 265 G C -0.722 173.952 174.900 -0.376 0.000 1.263 265 G CA -0.278 44.692 45.100 -0.217 0.000 0.928 265 G HN 0.487 nan 8.290 nan 0.000 0.572 266 Y N 0.385 120.611 120.300 -0.122 0.000 2.310 266 Y HA 0.557 5.623 4.550 0.860 0.000 0.326 266 Y C 1.648 177.475 175.900 -0.122 0.000 1.151 266 Y CA 0.235 58.230 58.100 -0.175 0.000 1.195 266 Y CB 1.240 39.589 38.460 -0.184 0.000 1.210 266 Y HN 0.658 nan 8.280 nan 0.000 0.483 267 I N -0.965 119.612 120.570 0.012 0.000 4.557 267 I HA 0.400 5.084 4.170 0.858 0.000 0.333 267 I C -0.764 175.474 176.117 0.201 0.000 1.332 267 I CA -0.218 61.133 61.300 0.085 0.000 1.240 267 I CB 0.692 38.742 38.000 0.083 0.000 1.312 267 I HN 0.288 nan 8.210 nan 0.000 0.457 268 F N -0.140 119.849 119.950 0.066 0.000 2.641 268 F HA 0.526 5.568 4.527 0.858 0.000 0.308 268 F C -1.063 174.783 175.800 0.075 0.000 1.105 268 F CA -1.294 56.746 58.000 0.066 0.000 0.964 268 F CB 0.369 39.413 39.000 0.075 0.000 1.294 268 F HN -0.172 nan 8.300 nan 0.000 0.442 269 N N 1.323 120.141 118.700 0.195 0.000 2.447 269 N HA 0.403 5.657 4.740 0.858 0.000 0.263 269 N C 0.852 176.471 175.510 0.181 0.000 1.226 269 N CA 1.204 54.311 53.050 0.094 0.000 0.906 269 N CB 0.732 39.276 38.487 0.095 0.000 1.060 269 N HN 1.195 nan 8.380 nan 0.000 0.468 270 G N 1.404 110.226 108.800 0.037 0.000 2.195 270 G HA2 -0.295 4.180 3.960 0.858 0.000 0.224 270 G HA3 -0.295 4.180 3.960 0.858 0.000 0.224 270 G C 0.116 175.052 174.900 0.060 0.000 0.990 270 G CA -0.438 44.737 45.100 0.124 0.000 0.639 270 G HN 0.625 nan 8.290 nan 0.000 0.514 271 Q N 0.619 120.204 119.800 -0.358 0.000 2.263 271 Q HA 0.527 5.382 4.340 0.858 0.000 0.289 271 Q C 1.710 177.706 176.000 -0.006 0.000 1.061 271 Q CA 0.717 56.234 55.803 -0.476 0.000 0.927 271 Q CB 0.844 29.011 28.738 -0.953 0.000 1.154 271 Q HN 0.719 nan 8.270 nan 0.000 0.378 272 A N 5.024 127.904 122.820 0.100 0.000 1.897 272 A HA -0.019 4.816 4.320 0.858 0.000 0.215 272 A C 0.367 177.949 177.584 -0.003 0.000 1.181 272 A CA 1.016 53.084 52.037 0.052 0.000 0.620 272 A CB 0.197 19.198 19.000 0.003 0.000 0.821 272 A HN 0.820 nan 8.150 nan 0.000 0.443 273 N N -1.628 117.007 118.700 -0.108 0.000 2.494 273 N HA 0.384 5.639 4.740 0.858 0.000 0.270 273 N C -3.308 171.783 175.510 -0.699 0.000 1.285 273 N CA -1.480 51.289 53.050 -0.468 0.000 0.812 273 N CB 1.292 39.478 38.487 -0.503 0.000 1.557 273 N HN -0.185 nan 8.380 nan 0.000 0.487 274 P HA 0.044 nan 4.420 nan 0.000 0.267 274 P C 0.902 177.917 177.300 -0.475 0.000 1.200 274 P CA 0.159 62.574 63.100 -1.141 0.000 0.772 274 P CB 0.442 31.467 31.700 -1.124 0.000 0.855 275 G N 2.460 111.046 108.800 -0.356 0.000 2.432 275 G HA2 -0.238 4.237 3.960 0.858 0.000 0.219 275 G HA3 -0.238 4.237 3.960 0.858 0.000 0.219 275 G C 1.057 175.908 174.900 -0.082 0.000 1.135 275 G CA 0.355 45.320 45.100 -0.225 0.000 0.767 275 G HN 0.633 nan 8.290 nan 0.000 0.550 276 Q N -0.674 119.086 119.800 -0.067 0.000 2.403 276 Q HA 0.000 4.855 4.340 0.858 0.000 0.203 276 Q C -0.135 175.955 176.000 0.150 0.000 0.932 276 Q CA -0.409 55.378 55.803 -0.027 0.000 0.945 276 Q CB -0.174 28.486 28.738 -0.130 0.000 1.045 276 Q HN 0.379 nan 8.270 nan 0.000 0.511 277 W N 1.973 123.243 121.300 -0.051 0.000 2.253 277 W HA 0.125 5.313 4.660 0.879 0.000 0.322 277 W C -0.101 176.473 176.519 0.092 0.000 1.342 277 W CA -1.167 56.182 57.345 0.006 0.000 1.218 277 W CB -0.154 29.285 29.460 -0.036 0.000 1.205 277 W HN 0.111 nan 8.180 nan 0.000 0.551 278 Y N 5.599 125.999 120.300 0.167 0.000 2.539 278 Y HA 0.249 5.315 4.550 0.861 0.000 0.352 278 Y C 0.164 176.138 175.900 0.123 0.000 1.004 278 Y CA -0.091 58.111 58.100 0.170 0.000 1.278 278 Y CB -0.168 38.403 38.460 0.185 0.000 1.136 278 Y HN 0.529 nan 8.280 nan 0.000 0.528 279 E N 3.065 123.087 120.200 -0.297 0.000 2.475 279 E HA 0.320 5.185 4.350 0.858 0.000 0.221 279 E C 0.211 176.223 176.600 -0.981 0.000 0.793 279 E CA -0.419 55.637 56.400 -0.574 0.000 0.922 279 E CB -0.184 29.328 29.700 -0.314 0.000 1.778 279 E HN 0.306 nan 8.360 nan 0.000 0.392 280 F N 0.704 120.169 119.950 -0.808 0.000 2.126 280 F HA -0.087 4.961 4.527 0.868 0.000 0.299 280 F C 1.593 176.989 175.800 -0.674 0.000 1.096 280 F CA 1.787 59.020 58.000 -1.278 0.000 1.255 280 F CB -0.694 37.762 39.000 -0.906 0.000 0.997 280 F HN 0.313 nan 8.300 nan 0.000 0.479 281 D N 0.306 120.597 120.400 -0.182 0.000 2.097 281 D HA -0.127 5.028 4.640 0.858 0.000 0.195 281 D C 2.345 178.717 176.300 0.121 0.000 0.989 281 D CA 1.513 55.563 54.000 0.083 0.000 0.827 281 D CB -0.651 40.259 40.800 0.183 0.000 0.966 281 D HN 0.191 nan 8.370 nan 0.000 0.456 282 A N 0.384 123.207 122.820 0.005 0.000 2.024 282 A HA -0.182 4.653 4.320 0.858 0.000 0.220 282 A C 1.690 179.382 177.584 0.179 0.000 1.164 282 A CA 0.981 53.065 52.037 0.077 0.000 0.643 282 A CB -1.039 17.983 19.000 0.036 0.000 0.806 282 A HN 0.288 nan 8.150 nan 0.000 0.451 283 W N 0.339 121.566 121.300 -0.122 0.000 2.308 283 W HA -0.166 5.031 4.660 0.895 0.000 0.301 283 W C 2.323 178.928 176.519 0.143 0.000 1.220 283 W CA 1.244 58.609 57.345 0.035 0.000 1.240 283 W CB -0.793 28.725 29.460 0.096 0.000 1.142 283 W HN 0.390 nan 8.180 nan 0.000 0.521 284 R N -0.284 120.449 120.500 0.389 0.000 2.235 284 R HA -0.031 4.824 4.340 0.858 0.000 0.213 284 R C 1.917 178.352 176.300 0.225 0.000 1.059 284 R CA 0.982 57.241 56.100 0.265 0.000 0.997 284 R CB -0.664 29.804 30.300 0.280 0.000 0.884 284 R HN 0.090 nan 8.270 nan 0.000 0.462 285 V N 2.417 122.499 119.914 0.279 0.000 2.233 285 V HA -0.271 4.364 4.120 0.858 0.000 0.247 285 V C 2.370 178.634 176.094 0.282 0.000 1.050 285 V CA 2.222 64.699 62.300 0.294 0.000 1.010 285 V CB -0.541 31.478 31.823 0.326 0.000 0.637 285 V HN 0.393 nan 8.190 nan 0.000 0.444 286 I N -1.805 118.929 120.570 0.274 0.000 2.676 286 I HA -0.209 4.476 4.170 0.858 0.000 0.259 286 I C 2.391 178.508 176.117 0.000 0.000 1.194 286 I CA 1.813 63.193 61.300 0.134 0.000 1.473 286 I CB -0.484 37.563 38.000 0.078 0.000 1.096 286 I HN 0.328 nan 8.210 nan 0.000 0.443 287 M N 2.088 121.688 119.600 0.000 0.000 2.080 287 M HA -0.210 4.785 4.480 0.858 0.000 0.260 287 M C 1.883 178.078 176.300 -0.176 0.000 1.068 287 M CA 2.089 57.317 55.300 -0.121 0.000 1.109 287 M CB -0.344 32.195 32.600 -0.102 0.000 1.342 287 M HN 0.295 nan 8.290 nan 0.000 0.405 288 N N 0.134 118.790 118.700 -0.073 0.000 2.166 288 N HA -0.123 5.132 4.740 0.858 0.000 0.186 288 N C 1.702 177.179 175.510 -0.055 0.000 1.019 288 N CA 1.534 54.526 53.050 -0.097 0.000 0.856 288 N CB -0.677 37.815 38.487 0.008 0.000 0.993 288 N HN 0.293 nan 8.380 nan 0.000 0.426 289 V N 0.851 120.775 119.914 0.016 0.000 2.343 289 V HA -0.134 4.501 4.120 0.858 0.000 0.247 289 V C 2.454 178.496 176.094 -0.086 0.000 1.051 289 V CA 1.993 64.298 62.300 0.008 0.000 1.036 289 V CB -1.223 30.568 31.823 -0.053 0.000 0.654 289 V HN 0.332 nan 8.190 nan 0.000 0.451 290 G N -0.367 108.341 108.800 -0.154 0.000 2.446 290 G HA2 -0.276 4.199 3.960 0.858 0.000 0.217 290 G HA3 -0.276 4.199 3.960 0.858 0.000 0.217 290 G C 1.665 176.436 174.900 -0.216 0.000 1.168 290 G CA 1.153 46.131 45.100 -0.202 0.000 0.771 290 G HN 0.460 nan 8.290 nan 0.000 0.551 291 L N 0.201 121.251 121.223 -0.288 0.000 1.990 291 L HA -0.138 4.716 4.340 0.858 0.000 0.213 291 L C 2.498 179.271 176.870 -0.162 0.000 1.072 291 L CA 2.535 57.203 54.840 -0.287 0.000 0.755 291 L CB -0.367 41.441 42.059 -0.419 0.000 0.889 291 L HN 0.285 nan 8.230 nan 0.000 0.432 292 D N -0.671 119.656 120.400 -0.121 0.000 2.144 292 D HA -0.178 4.977 4.640 0.858 0.000 0.199 292 D C 2.116 178.303 176.300 -0.188 0.000 0.984 292 D CA 1.318 55.292 54.000 -0.043 0.000 0.834 292 D CB 0.065 40.965 40.800 0.166 0.000 0.955 292 D HN 0.479 nan 8.370 nan 0.000 0.465 293 A N -0.649 121.949 122.820 -0.370 0.000 1.877 293 A HA -0.226 4.609 4.320 0.858 0.000 0.216 293 A C 2.174 179.581 177.584 -0.296 0.000 1.186 293 A CA 1.789 53.453 52.037 -0.621 0.000 0.620 293 A CB -1.071 17.571 19.000 -0.596 0.000 0.822 293 A HN 0.534 nan 8.150 nan 0.000 0.443 294 H N -1.028 117.865 119.070 -0.295 0.000 2.293 294 H HA -0.047 5.024 4.556 0.859 0.000 0.300 294 H C 1.824 176.996 175.328 -0.260 0.000 1.082 294 H CA 1.290 57.196 56.048 -0.236 0.000 1.308 294 H CB 0.019 29.687 29.762 -0.157 0.000 1.375 294 H HN 0.301 nan 8.280 nan 0.000 0.495 295 L N 0.091 121.125 121.223 -0.314 0.000 2.162 295 L HA -0.062 4.793 4.340 0.858 0.000 0.205 295 L C 1.771 178.489 176.870 -0.255 0.000 1.086 295 L CA 1.017 55.574 54.840 -0.472 0.000 0.778 295 L CB -0.238 41.447 42.059 -0.624 0.000 0.928 295 L HN 0.469 nan 8.230 nan 0.000 0.446 296 M N -1.391 118.125 119.600 -0.141 0.000 2.306 296 M HA 0.323 5.318 4.480 0.858 0.000 0.292 296 M C 0.399 176.661 176.300 -0.065 0.000 1.018 296 M CA 0.281 55.570 55.300 -0.019 0.000 1.007 296 M CB 0.688 33.350 32.600 0.103 0.000 1.510 296 M HN 0.177 nan 8.290 nan 0.000 0.537 297 G N 1.348 110.043 108.800 -0.175 0.000 2.885 297 G HA2 0.139 4.614 3.960 0.858 0.000 0.685 297 G HA3 0.139 4.614 3.960 0.858 0.000 0.685 297 G C -0.771 173.899 174.900 -0.385 0.000 1.216 297 G CA -0.576 44.403 45.100 -0.201 0.000 0.790 297 G HN 0.507 nan 8.290 nan 0.000 0.631 298 A N 2.427 125.021 122.820 -0.376 0.000 2.354 298 A HA 0.739 5.574 4.320 0.858 0.000 0.281 298 A C 0.437 177.881 177.584 -0.234 0.000 1.174 298 A CA -0.042 51.704 52.037 -0.486 0.000 0.828 298 A CB 0.693 19.488 19.000 -0.341 0.000 1.099 298 A HN 0.711 nan 8.150 nan 0.000 0.516 299 Q N 0.854 120.605 119.800 -0.081 0.000 2.333 299 Q HA 0.575 5.430 4.340 0.858 0.000 0.266 299 Q C 1.348 177.333 176.000 -0.025 0.000 1.053 299 Q CA -0.041 55.788 55.803 0.043 0.000 0.890 299 Q CB 1.512 30.374 28.738 0.207 0.000 1.337 299 Q HN 0.757 nan 8.270 nan 0.000 0.474 300 A N 1.180 124.019 122.820 0.032 0.000 1.917 300 A HA -0.175 4.660 4.320 0.858 0.000 0.219 300 A C 1.655 179.245 177.584 0.011 0.000 1.182 300 A CA 2.125 54.174 52.037 0.021 0.000 0.633 300 A CB -0.954 18.081 19.000 0.060 0.000 0.819 300 A HN 0.881 nan 8.150 nan 0.000 0.448 301 W N -0.062 121.211 121.300 -0.046 0.000 2.388 301 W HA -0.180 4.993 4.660 0.856 0.000 0.294 301 W C 1.565 177.956 176.519 -0.213 0.000 1.212 301 W CA 1.346 58.610 57.345 -0.135 0.000 1.271 301 W CB -1.146 28.220 29.460 -0.158 0.000 1.126 301 W HN 0.535 nan 8.180 nan 0.000 0.535 302 H N 1.467 119.875 119.070 -1.103 0.000 2.290 302 H HA -0.113 4.957 4.556 0.856 0.000 0.298 302 H C 2.265 177.269 175.328 -0.540 0.000 1.087 302 H CA 3.128 58.542 56.048 -1.057 0.000 1.291 302 H CB -0.273 28.926 29.762 -0.938 0.000 1.369 302 H HN 0.068 nan 8.280 nan 0.000 0.492 303 K N -0.203 120.056 120.400 -0.234 0.000 2.057 303 K HA -0.117 4.718 4.320 0.858 0.000 0.207 303 K C 2.541 179.048 176.600 -0.154 0.000 1.049 303 K CA 1.305 57.493 56.287 -0.166 0.000 0.931 303 K CB -0.160 32.271 32.500 -0.115 0.000 0.714 303 K HN 0.083 nan 8.250 nan 0.000 0.440 304 S N 0.635 116.257 115.700 -0.131 0.000 2.368 304 S HA -0.143 4.842 4.470 0.858 0.000 0.225 304 S C 2.096 176.596 174.600 -0.166 0.000 1.030 304 S CA 1.183 59.325 58.200 -0.096 0.000 0.999 304 S CB -0.260 62.922 63.200 -0.030 0.000 0.844 304 S HN 0.367 nan 8.310 nan 0.000 0.459 305 A N 0.814 123.439 122.820 -0.324 0.000 1.865 305 A HA -0.055 4.780 4.320 0.858 0.000 0.217 305 A C 2.366 179.679 177.584 -0.453 0.000 1.191 305 A CA 2.076 53.693 52.037 -0.700 0.000 0.623 305 A CB -1.164 16.992 19.000 -1.407 0.000 0.826 305 A HN 0.460 nan 8.150 nan 0.000 0.444 306 V N 0.665 120.366 119.914 -0.354 0.000 2.323 306 V HA -0.207 4.427 4.120 0.858 0.000 0.244 306 V C 2.312 178.290 176.094 -0.193 0.000 1.041 306 V CA 2.001 64.152 62.300 -0.248 0.000 1.025 306 V CB -1.002 30.684 31.823 -0.229 0.000 0.656 306 V HN 0.533 nan 8.190 nan 0.000 0.451 307 N N 0.529 119.136 118.700 -0.154 0.000 2.104 307 N HA -0.175 5.080 4.740 0.858 0.000 0.190 307 N C 1.829 177.295 175.510 -0.073 0.000 1.024 307 N CA 1.484 54.471 53.050 -0.104 0.000 0.853 307 N CB -0.273 38.172 38.487 -0.070 0.000 1.008 307 N HN 0.508 nan 8.380 nan 0.000 0.424 308 K N 0.471 120.837 120.400 -0.056 0.000 2.103 308 K HA 0.111 4.946 4.320 0.858 0.000 0.204 308 K C 2.080 178.694 176.600 0.023 0.000 1.052 308 K CA 0.977 57.266 56.287 0.003 0.000 0.945 308 K CB -0.052 32.464 32.500 0.027 0.000 0.722 308 K HN 0.108 nan 8.250 nan 0.000 0.443 309 A N 1.385 124.196 122.820 -0.015 0.000 1.873 309 A HA -0.112 4.723 4.320 0.858 0.000 0.215 309 A C 2.097 179.622 177.584 -0.098 0.000 1.186 309 A CA 1.211 53.234 52.037 -0.022 0.000 0.616 309 A CB -0.663 18.340 19.000 0.006 0.000 0.823 309 A HN 0.140 nan 8.150 nan 0.000 0.442 310 L N -0.638 120.457 121.223 -0.212 0.000 2.141 310 L HA -0.103 4.751 4.340 0.858 0.000 0.209 310 L C 2.812 179.635 176.870 -0.078 0.000 1.094 310 L CA 0.911 55.534 54.840 -0.361 0.000 0.763 310 L CB -0.869 40.806 42.059 -0.640 0.000 0.908 310 L HN 0.510 nan 8.230 nan 0.000 0.437 311 G N 0.083 108.868 108.800 -0.026 0.000 2.446 311 G HA2 -0.350 4.125 3.960 0.858 0.000 0.217 311 G HA3 -0.350 4.125 3.960 0.858 0.000 0.217 311 G C 1.490 176.423 174.900 0.055 0.000 1.168 311 G CA 0.784 45.905 45.100 0.035 0.000 0.771 311 G HN 0.327 nan 8.290 nan 0.000 0.551 312 F N 1.206 121.117 119.950 -0.064 0.000 2.102 312 F HA 0.042 5.120 4.527 0.919 0.000 0.298 312 F C 2.455 178.202 175.800 -0.088 0.000 1.105 312 F CA 1.200 59.157 58.000 -0.071 0.000 1.239 312 F CB -0.205 38.719 39.000 -0.127 0.000 0.991 312 F HN 0.048 nan 8.300 nan 0.000 0.474 313 L N -0.615 120.507 121.223 -0.168 0.000 2.083 313 L HA -0.229 4.626 4.340 0.858 0.000 0.209 313 L C 2.550 179.292 176.870 -0.213 0.000 1.083 313 L CA 1.381 56.010 54.840 -0.351 0.000 0.752 313 L CB -0.978 40.745 42.059 -0.560 0.000 0.899 313 L HN 0.102 nan 8.230 nan 0.000 0.433 314 S N -0.997 114.682 115.700 -0.036 0.000 2.356 314 S HA -0.242 4.743 4.470 0.858 0.000 0.223 314 S C 1.877 176.427 174.600 -0.084 0.000 1.032 314 S CA 1.378 59.572 58.200 -0.009 0.000 1.005 314 S CB -0.426 62.816 63.200 0.069 0.000 0.867 314 S HN 0.453 nan 8.310 nan 0.000 0.449 315 Y N 2.431 122.579 120.300 -0.252 0.000 2.128 315 Y HA -0.170 4.896 4.550 0.859 0.000 0.284 315 Y C 2.359 178.036 175.900 -0.373 0.000 1.154 315 Y CA 1.174 59.093 58.100 -0.302 0.000 1.149 315 Y CB -0.789 37.459 38.460 -0.352 0.000 0.976 315 Y HN 0.200 nan 8.280 nan 0.000 0.505 316 A N 0.547 122.994 122.820 -0.622 0.000 1.933 316 A HA -0.219 4.616 4.320 0.858 0.000 0.218 316 A C 2.316 179.738 177.584 -0.269 0.000 1.175 316 A CA 1.881 53.569 52.037 -0.582 0.000 0.628 316 A CB -0.816 17.759 19.000 -0.707 0.000 0.814 316 A HN 0.567 nan 8.150 nan 0.000 0.444 317 K N -0.208 120.105 120.400 -0.146 0.000 2.063 317 K HA -0.177 4.658 4.320 0.858 0.000 0.208 317 K C 2.101 178.614 176.600 -0.146 0.000 1.048 317 K CA 2.070 58.321 56.287 -0.060 0.000 0.928 317 K CB -0.380 32.129 32.500 0.015 0.000 0.713 317 K HN 0.624 nan 8.250 nan 0.000 0.442 318 T N -1.244 113.175 114.554 -0.225 0.000 2.962 318 T HA -0.044 4.821 4.350 0.858 0.000 0.270 318 T C 1.241 175.785 174.700 -0.260 0.000 1.088 318 T CA 0.942 62.908 62.100 -0.224 0.000 1.127 318 T CB -0.126 68.609 68.868 -0.222 0.000 0.883 318 T HN 0.109 nan 8.240 nan 0.000 0.493 319 N N 2.138 120.622 118.700 -0.359 0.000 2.321 319 N HA 0.184 5.439 4.740 0.858 0.000 0.242 319 N C -0.717 174.692 175.510 -0.168 0.000 1.141 319 N CA -0.063 52.807 53.050 -0.299 0.000 0.864 319 N CB 0.124 38.342 38.487 -0.449 0.000 1.100 319 N HN 0.457 nan 8.380 nan 0.000 0.510 320 N N 0.311 118.935 118.700 -0.126 0.000 2.372 320 N HA 0.053 5.308 4.740 0.858 0.000 0.285 320 N C 1.022 176.493 175.510 -0.064 0.000 1.008 320 N CA -0.054 52.955 53.050 -0.068 0.000 0.880 320 N CB 1.477 39.943 38.487 -0.036 0.000 1.239 320 N HN -0.012 nan 8.380 nan 0.000 0.484 321 S N 3.123 118.793 115.700 -0.050 0.000 2.442 321 S HA -0.089 4.896 4.470 0.858 0.000 0.236 321 S C 0.949 175.523 174.600 -0.044 0.000 1.007 321 S CA 1.016 59.189 58.200 -0.044 0.000 0.965 321 S CB -0.050 63.130 63.200 -0.034 0.000 0.773 321 S HN 0.619 nan 8.310 nan 0.000 0.504 322 K N 0.942 121.314 120.400 -0.046 0.000 2.374 322 K HA 0.233 5.068 4.320 0.858 0.000 0.196 322 K C 0.280 176.843 176.600 -0.060 0.000 1.023 322 K CA 0.161 56.418 56.287 -0.049 0.000 1.103 322 K CB -0.144 32.327 32.500 -0.048 0.000 0.848 322 K HN 0.355 nan 8.250 nan 0.000 0.528 323 N N 1.118 119.780 118.700 -0.064 0.000 2.725 323 N HA -0.185 5.070 4.740 0.858 0.000 0.251 323 N C -1.185 174.273 175.510 -0.087 0.000 1.031 323 N CA 0.834 53.840 53.050 -0.073 0.000 0.720 323 N CB -1.568 36.877 38.487 -0.069 0.000 0.930 323 N HN 0.491 nan 8.380 nan 0.000 0.543 324 c N -0.924 117.626 118.600 -0.083 0.000 3.090 324 c HA 0.816 5.901 4.570 0.858 0.000 0.305 324 c C 0.169 174.239 174.090 -0.032 0.000 1.292 324 c CA -1.539 54.711 56.329 -0.131 0.000 1.482 324 c CB 0.506 42.911 42.510 -0.176 0.000 1.897 324 c HN 0.358 nan 8.230 nan 0.000 0.469 325 Y N 0.172 120.479 120.300 0.012 0.000 2.307 325 Y HA 0.760 5.288 4.550 -0.037 0.000 0.324 325 Y C 0.185 176.195 175.900 0.183 0.000 1.238 325 Y CA -0.541 57.637 58.100 0.130 0.000 1.280 325 Y CB 0.409 38.935 38.460 0.110 0.000 1.248 325 Y HN 0.774 nan 8.280 nan 0.000 0.508 326 E N 1.121 121.608 120.200 0.478 0.000 2.267 326 E HA 0.159 5.024 4.350 0.858 0.000 0.258 326 E C 0.252 177.048 176.600 0.328 0.000 1.074 326 E CA -0.789 55.715 56.400 0.175 0.000 0.915 326 E CB 1.113 30.731 29.700 -0.136 0.000 1.186 326 E HN 0.799 nan 8.360 nan 0.000 0.439 327 Q N -0.357 119.556 119.800 0.187 0.000 2.331 327 Q HA 0.050 4.905 4.340 0.858 0.000 0.203 327 Q C -0.155 176.026 176.000 0.301 0.000 0.944 327 Q CA 0.585 56.608 55.803 0.367 0.000 0.892 327 Q CB 0.567 29.569 28.738 0.439 0.000 0.983 327 Q HN 0.134 nan 8.270 nan 0.000 0.482 328 V N 0.654 120.558 119.914 -0.016 0.000 2.623 328 V HA 0.338 4.973 4.120 0.858 0.000 0.304 328 V C -1.375 174.486 176.094 -0.387 0.000 1.054 328 V CA -0.835 61.344 62.300 -0.202 0.000 0.882 328 V CB 1.136 32.652 31.823 -0.511 0.000 1.002 328 V HN 0.049 nan 8.190 nan 0.000 0.424 329 Y N 1.723 122.050 120.300 0.045 0.000 2.499 329 Y HA 0.722 5.757 4.550 0.808 0.000 0.347 329 Y C 0.320 176.130 175.900 -0.150 0.000 0.987 329 Y CA -0.560 57.538 58.100 -0.003 0.000 1.044 329 Y CB 2.485 41.030 38.460 0.142 0.000 1.245 329 Y HN 0.556 nan 8.280 nan 0.000 0.461 330 S N 1.853 117.549 115.700 -0.006 0.000 2.672 330 S HA 0.423 5.408 4.470 0.858 0.000 0.291 330 S C -1.420 173.283 174.600 0.172 0.000 1.145 330 S CA -0.523 57.665 58.200 -0.020 0.000 1.013 330 S CB 0.063 63.214 63.200 -0.082 0.000 1.017 330 S HN 0.624 nan 8.310 nan 0.000 0.487 331 Y N 2.257 122.680 120.300 0.205 0.000 3.491 331 Y HA -0.271 4.793 4.550 0.856 0.000 0.215 331 Y C 1.518 177.587 175.900 0.283 0.000 1.219 331 Y CA 1.437 59.638 58.100 0.168 0.000 1.485 331 Y CB -1.788 36.743 38.460 0.118 0.000 1.450 331 Y HN 1.439 nan 8.280 nan 0.000 0.603 332 G N -1.846 107.144 108.800 0.316 0.000 2.184 332 G HA2 -0.112 4.362 3.960 0.858 0.000 0.264 332 G HA3 -0.112 4.362 3.960 0.858 0.000 0.264 332 G C 0.516 175.731 174.900 0.525 0.000 0.975 332 G CA 0.199 45.471 45.100 0.287 0.000 0.642 332 G HN 1.405 nan 8.290 nan 0.000 0.536 333 G N -0.180 108.890 108.800 0.449 0.000 2.372 333 G HA2 0.783 5.258 3.960 0.858 0.000 0.323 333 G HA3 0.783 5.258 3.960 0.858 0.000 0.323 333 G C 0.242 175.294 174.900 0.252 0.000 1.152 333 G CA 0.527 45.840 45.100 0.355 0.000 0.906 333 G HN 1.476 nan 8.290 nan 0.000 0.460 334 A N 2.249 125.152 122.820 0.138 0.000 2.511 334 A HA 0.385 5.220 4.320 0.858 0.000 0.242 334 A C 0.903 178.338 177.584 -0.249 0.000 1.069 334 A CA -0.077 51.775 52.037 -0.308 0.000 0.763 334 A CB 0.462 19.351 19.000 -0.185 0.000 1.001 334 A HN 0.573 nan 8.150 nan 0.000 0.498 335 Q N 1.237 120.800 119.800 -0.395 0.000 2.220 335 Q HA 0.036 4.891 4.340 0.858 0.000 0.205 335 Q C 0.076 175.956 176.000 -0.199 0.000 0.865 335 Q CA -0.105 55.507 55.803 -0.318 0.000 0.960 335 Q CB -0.037 28.329 28.738 -0.618 0.000 1.097 335 Q HN 0.907 nan 8.270 nan 0.000 0.493 336 N N 1.497 120.094 118.700 -0.172 0.000 2.740 336 N HA -0.174 5.081 4.740 0.858 0.000 0.248 336 N C -0.512 174.964 175.510 -0.057 0.000 1.062 336 N CA 0.335 53.331 53.050 -0.090 0.000 0.704 336 N CB -0.327 38.136 38.487 -0.039 0.000 0.968 336 N HN 0.093 nan 8.380 nan 0.000 0.547 337 R N 0.244 120.694 120.500 -0.083 0.000 2.609 337 R HA 0.469 5.324 4.340 0.858 0.000 0.326 337 R C 0.967 177.289 176.300 0.037 0.000 1.090 337 R CA 0.458 56.557 56.100 -0.001 0.000 1.072 337 R CB -0.250 30.045 30.300 -0.009 0.000 1.330 337 R HN 0.506 nan 8.270 nan 0.000 0.572 338 G N 0.361 109.159 108.800 -0.002 0.000 2.675 338 G HA2 -0.211 4.264 3.960 0.858 0.000 0.686 338 G HA3 -0.211 4.264 3.960 0.858 0.000 0.686 338 G C -0.145 174.751 174.900 -0.007 0.000 1.215 338 G CA -0.937 44.164 45.100 0.002 0.000 0.777 338 G HN 0.211 nan 8.290 nan 0.000 0.638 339 c N 1.398 119.975 118.600 -0.037 0.000 2.679 339 c HA 0.542 5.627 4.570 0.858 0.000 0.417 339 c C 1.870 175.904 174.090 -0.093 0.000 1.302 339 c CA 0.657 56.937 56.329 -0.082 0.000 1.973 339 c CB -0.169 42.278 42.510 -0.106 0.000 2.715 339 c HN 2.068 nan 8.230 nan 0.000 0.628 340 A N 3.386 126.082 122.820 -0.207 0.000 2.580 340 A HA 0.441 5.276 4.320 0.858 0.000 0.244 340 A C 0.897 178.370 177.584 -0.185 0.000 1.045 340 A CA 0.783 52.664 52.037 -0.261 0.000 0.761 340 A CB -0.267 18.382 19.000 -0.586 0.000 0.962 340 A HN 1.174 nan 8.150 nan 0.000 0.512 341 G N 1.355 110.087 108.800 -0.113 0.000 2.583 341 G HA2 0.448 4.923 3.960 0.858 0.000 0.280 341 G HA3 0.448 4.923 3.960 0.858 0.000 0.280 341 G C 0.399 175.276 174.900 -0.038 0.000 1.376 341 G CA -0.050 45.030 45.100 -0.034 0.000 1.043 341 G HN 0.687 nan 8.290 nan 0.000 0.538 342 E N -0.459 119.763 120.200 0.036 0.000 2.106 342 E HA 0.002 4.867 4.350 0.858 0.000 0.192 342 E C 2.503 179.192 176.600 0.149 0.000 0.984 342 E CA 1.224 57.685 56.400 0.101 0.000 0.806 342 E CB -0.278 29.464 29.700 0.071 0.000 0.750 342 E HN 0.466 nan 8.360 nan 0.000 0.458 343 G N 0.627 109.485 108.800 0.097 0.000 2.421 343 G HA2 -0.347 4.128 3.960 0.858 0.000 0.216 343 G HA3 -0.347 4.128 3.960 0.858 0.000 0.216 343 G C 1.531 176.389 174.900 -0.071 0.000 1.171 343 G CA 0.743 45.876 45.100 0.054 0.000 0.775 343 G HN 0.221 nan 8.290 nan 0.000 0.543 344 Q N 0.045 119.585 119.800 -0.434 0.000 2.079 344 Q HA -0.068 4.787 4.340 0.858 0.000 0.200 344 Q C 2.509 178.415 176.000 -0.156 0.000 0.974 344 Q CA 1.286 56.674 55.803 -0.693 0.000 0.840 344 Q CB -0.079 27.862 28.738 -1.328 0.000 0.898 344 Q HN 0.432 nan 8.270 nan 0.000 0.430 345 K N -0.207 120.183 120.400 -0.018 0.000 2.097 345 K HA -0.109 4.726 4.320 0.858 0.000 0.206 345 K C 2.027 178.702 176.600 0.124 0.000 1.049 345 K CA 1.007 57.393 56.287 0.165 0.000 0.933 345 K CB -0.116 32.497 32.500 0.189 0.000 0.717 345 K HN 0.201 nan 8.250 nan 0.000 0.442 346 A N 1.649 124.524 122.820 0.092 0.000 1.877 346 A HA -0.134 4.701 4.320 0.858 0.000 0.216 346 A C 2.410 179.826 177.584 -0.280 0.000 1.186 346 A CA 1.887 53.799 52.037 -0.209 0.000 0.620 346 A CB -0.808 18.210 19.000 0.031 0.000 0.822 346 A HN 0.322 nan 8.150 nan 0.000 0.443 347 A N 0.243 122.989 122.820 -0.123 0.000 1.908 347 A HA -0.217 4.618 4.320 0.858 0.000 0.218 347 A C 1.882 179.401 177.584 -0.108 0.000 1.181 347 A CA 1.919 53.901 52.037 -0.091 0.000 0.627 347 A CB -0.658 18.366 19.000 0.040 0.000 0.818 347 A HN 0.553 nan 8.150 nan 0.000 0.445 348 N N 0.289 118.946 118.700 -0.071 0.000 2.309 348 N HA -0.030 5.225 4.740 0.858 0.000 0.182 348 N C 1.782 177.210 175.510 -0.136 0.000 1.018 348 N CA 1.325 54.309 53.050 -0.109 0.000 0.876 348 N CB -0.523 37.954 38.487 -0.017 0.000 0.972 348 N HN 0.486 nan 8.380 nan 0.000 0.434 349 A N 0.592 123.332 122.820 -0.134 0.000 1.898 349 A HA -0.054 4.781 4.320 0.858 0.000 0.216 349 A C 2.391 179.890 177.584 -0.140 0.000 1.181 349 A CA 1.134 53.090 52.037 -0.135 0.000 0.620 349 A CB -0.645 18.081 19.000 -0.456 0.000 0.819 349 A HN 0.096 nan 8.150 nan 0.000 0.442 350 V N -0.034 119.738 119.914 -0.235 0.000 2.515 350 V HA -0.214 4.421 4.120 0.858 0.000 0.250 350 V C 2.982 178.950 176.094 -0.210 0.000 1.058 350 V CA 1.631 63.791 62.300 -0.233 0.000 1.064 350 V CB -1.241 30.373 31.823 -0.347 0.000 0.675 350 V HN 0.596 nan 8.190 nan 0.000 0.461 351 A N 0.087 122.791 122.820 -0.192 0.000 2.024 351 A HA -0.173 4.662 4.320 0.858 0.000 0.220 351 A C 2.141 179.626 177.584 -0.164 0.000 1.164 351 A CA 1.610 53.537 52.037 -0.183 0.000 0.643 351 A CB -0.606 18.277 19.000 -0.195 0.000 0.806 351 A HN 0.554 nan 8.150 nan 0.000 0.451 352 L N -0.749 120.395 121.223 -0.131 0.000 2.353 352 L HA -0.141 4.714 4.340 0.858 0.000 0.220 352 L C 1.989 178.882 176.870 0.039 0.000 1.133 352 L CA 0.486 55.291 54.840 -0.059 0.000 0.798 352 L CB -0.508 41.518 42.059 -0.055 0.000 0.922 352 L HN 0.379 nan 8.230 nan 0.000 0.445 353 L N -0.358 120.824 121.223 -0.069 0.000 2.456 353 L HA -0.120 4.735 4.340 0.858 0.000 0.224 353 L C 2.174 178.956 176.870 -0.147 0.000 1.148 353 L CA 0.710 55.472 54.840 -0.130 0.000 0.825 353 L CB -0.384 41.545 42.059 -0.217 0.000 0.937 353 L HN 0.254 nan 8.230 nan 0.000 0.450 354 A N -1.907 120.833 122.820 -0.134 0.000 2.469 354 A HA 0.145 4.980 4.320 0.858 0.000 0.245 354 A C 1.022 178.545 177.584 -0.103 0.000 1.221 354 A CA -0.111 51.825 52.037 -0.167 0.000 0.946 354 A CB 0.219 19.089 19.000 -0.217 0.000 1.049 354 A HN 0.176 nan 8.150 nan 0.000 0.529 355 S N 0.567 116.262 115.700 -0.008 0.000 2.576 355 S HA 0.313 5.298 4.470 0.858 0.000 0.276 355 S C 1.140 175.835 174.600 0.158 0.000 1.339 355 S CA 0.657 58.888 58.200 0.051 0.000 1.039 355 S CB 0.581 63.800 63.200 0.032 0.000 0.902 355 S HN 0.645 nan 8.310 nan 0.000 0.516 356 T N 0.947 115.557 114.554 0.094 0.000 3.182 356 T HA 0.294 5.159 4.350 0.858 0.000 0.277 356 T C -0.024 174.762 174.700 0.144 0.000 1.013 356 T CA -0.594 61.566 62.100 0.101 0.000 0.900 356 T CB -0.333 68.538 68.868 0.004 0.000 1.098 356 T HN 0.457 nan 8.240 nan 0.000 0.543 357 N N 1.090 119.882 118.700 0.153 0.000 2.564 357 N HA 0.551 5.805 4.740 0.858 0.000 0.248 357 N C 1.091 176.619 175.510 0.029 0.000 0.986 357 N CA -0.060 53.035 53.050 0.076 0.000 0.921 357 N CB 1.627 40.123 38.487 0.015 0.000 1.136 357 N HN 0.211 nan 8.380 nan 0.000 0.509 358 A N 3.070 125.958 122.820 0.113 0.000 1.933 358 A HA -0.037 4.797 4.320 0.858 0.000 0.218 358 A C 1.885 179.422 177.584 -0.079 0.000 1.175 358 A CA 1.953 54.027 52.037 0.061 0.000 0.628 358 A CB -0.847 18.257 19.000 0.173 0.000 0.814 358 A HN 0.661 nan 8.150 nan 0.000 0.444 359 G N -1.091 107.694 108.800 -0.026 0.000 2.421 359 G HA2 -0.252 4.223 3.960 0.858 0.000 0.216 359 G HA3 -0.252 4.223 3.960 0.858 0.000 0.216 359 G C 1.617 176.503 174.900 -0.023 0.000 1.171 359 G CA 0.994 46.080 45.100 -0.022 0.000 0.775 359 G HN 0.597 nan 8.290 nan 0.000 0.543 360 Q N 0.033 119.828 119.800 -0.007 0.000 2.045 360 Q HA -0.153 4.702 4.340 0.858 0.000 0.206 360 Q C 3.056 179.094 176.000 0.064 0.000 0.991 360 Q CA 1.564 57.416 55.803 0.081 0.000 0.851 360 Q CB -0.316 28.441 28.738 0.031 0.000 0.911 360 Q HN 0.473 nan 8.270 nan 0.000 0.418 361 A N 1.048 123.731 122.820 -0.229 0.000 1.883 361 A HA -0.308 4.527 4.320 0.858 0.000 0.217 361 A C 1.990 179.468 177.584 -0.176 0.000 1.186 361 A CA 2.144 53.910 52.037 -0.451 0.000 0.624 361 A CB -1.754 16.331 19.000 -1.525 0.000 0.822 361 A HN 0.622 nan 8.150 nan 0.000 0.444 362 N N -0.666 117.946 118.700 -0.146 0.000 2.061 362 N HA -0.147 5.108 4.740 0.858 0.000 0.193 362 N C 2.035 177.572 175.510 0.046 0.000 1.030 362 N CA 3.438 56.474 53.050 -0.024 0.000 0.856 362 N CB -1.151 37.319 38.487 -0.028 0.000 1.023 362 N HN 0.850 nan 8.380 nan 0.000 0.424 363 E N -0.291 119.917 120.200 0.014 0.000 2.017 363 E HA -0.027 4.838 4.350 0.858 0.000 0.193 363 E C 1.860 178.430 176.600 -0.050 0.000 0.997 363 E CA 1.344 57.712 56.400 -0.054 0.000 0.804 363 E CB -0.959 28.650 29.700 -0.152 0.000 0.757 363 E HN 0.762 nan 8.360 nan 0.000 0.448 364 F N -0.816 119.156 119.950 0.037 0.000 2.186 364 F HA 0.084 5.105 4.527 0.823 0.000 0.299 364 F C 2.211 178.087 175.800 0.126 0.000 1.090 364 F CA 1.424 59.465 58.000 0.069 0.000 1.307 364 F CB -0.304 38.703 39.000 0.012 0.000 1.019 364 F HN 0.293 nan 8.300 nan 0.000 0.489 365 F N 1.107 121.164 119.950 0.178 0.000 2.146 365 F HA -0.177 4.864 4.527 0.858 0.000 0.298 365 F C 2.197 178.152 175.800 0.258 0.000 1.096 365 F CA 1.387 59.503 58.000 0.193 0.000 1.275 365 F CB -0.469 38.566 39.000 0.058 0.000 1.008 365 F HN -0.158 nan 8.300 nan 0.000 0.480 366 N N 0.667 119.529 118.700 0.269 0.000 2.166 366 N HA -0.166 5.089 4.740 0.858 0.000 0.186 366 N C 1.711 177.281 175.510 0.100 0.000 1.019 366 N CA 1.462 54.627 53.050 0.191 0.000 0.856 366 N CB -0.458 38.117 38.487 0.147 0.000 0.993 366 N HN 0.484 nan 8.380 nan 0.000 0.426 367 E N -0.529 119.713 120.200 0.070 0.000 2.153 367 E HA -0.144 4.721 4.350 0.858 0.000 0.194 367 E C 1.455 178.098 176.600 0.071 0.000 0.988 367 E CA 0.570 56.991 56.400 0.035 0.000 0.811 367 E CB -0.107 29.589 29.700 -0.006 0.000 0.746 367 E HN 0.324 nan 8.360 nan 0.000 0.466 368 F N 0.158 120.077 119.950 -0.051 0.000 2.149 368 F HA -0.107 4.929 4.527 0.849 0.000 0.294 368 F C 1.968 177.728 175.800 -0.067 0.000 1.095 368 F CA 1.065 59.022 58.000 -0.072 0.000 1.276 368 F CB -0.312 38.596 39.000 -0.153 0.000 1.023 368 F HN 0.084 nan 8.300 nan 0.000 0.480 369 W N 1.382 122.353 121.300 -0.549 0.000 2.425 369 W HA -0.153 5.018 4.660 0.851 0.000 0.277 369 W C 2.334 178.677 176.519 -0.293 0.000 1.231 369 W CA 1.650 58.673 57.345 -0.536 0.000 1.248 369 W CB -0.249 29.014 29.460 -0.328 0.000 1.117 369 W HN 0.314 nan 8.180 nan 0.000 0.568 370 S N 0.204 115.846 115.700 -0.096 0.000 2.522 370 S HA 0.006 4.991 4.470 0.858 0.000 0.227 370 S C 0.831 175.329 174.600 -0.170 0.000 0.986 370 S CA 0.056 58.198 58.200 -0.097 0.000 0.929 370 S CB -0.651 62.537 63.200 -0.019 0.000 0.769 370 S HN 0.061 nan 8.310 nan 0.000 0.529 371 L N 3.267 124.356 121.223 -0.224 0.000 2.439 371 L HA 0.260 5.115 4.340 0.858 0.000 0.269 371 L C 0.800 177.521 176.870 -0.248 0.000 1.179 371 L CA -0.530 54.190 54.840 -0.200 0.000 0.828 371 L CB 0.558 42.522 42.059 -0.159 0.000 1.106 371 L HN 0.304 nan 8.230 nan 0.000 0.467 372 S N 1.693 117.257 115.700 -0.225 0.000 2.592 372 S HA 0.155 5.140 4.470 0.858 0.000 0.271 372 S C -0.286 174.060 174.600 -0.423 0.000 1.326 372 S CA -0.876 57.174 58.200 -0.251 0.000 1.024 372 S CB 1.204 64.301 63.200 -0.172 0.000 0.921 372 S HN 0.647 nan 8.310 nan 0.000 0.527 373 Q N 1.588 121.097 119.800 -0.485 0.000 2.315 373 Q HA 0.136 4.990 4.340 0.858 0.000 0.289 373 Q C -2.326 173.402 176.000 -0.453 0.000 1.044 373 Q CA -1.282 54.075 55.803 -0.743 0.000 0.920 373 Q CB -0.055 28.460 28.738 -0.372 0.000 1.214 373 Q HN 0.413 nan 8.270 nan 0.000 0.392 374 P HA -0.055 nan 4.420 nan 0.000 0.264 374 P C -1.072 176.180 177.300 -0.081 0.000 1.183 374 P CA 0.388 63.380 63.100 -0.180 0.000 0.763 374 P CB 0.723 32.367 31.700 -0.094 0.000 0.807 375 T N -0.425 114.112 114.554 -0.028 0.000 2.831 375 T HA 0.788 5.653 4.350 0.858 0.000 0.287 375 T C 0.250 174.980 174.700 0.049 0.000 1.070 375 T CA -0.172 61.933 62.100 0.009 0.000 1.010 375 T CB 1.478 70.343 68.868 -0.006 0.000 1.264 375 T HN 0.697 nan 8.240 nan 0.000 0.532 376 G N 0.596 109.425 108.800 0.048 0.000 2.681 376 G HA2 -0.164 4.311 3.960 0.858 0.000 0.220 376 G HA3 -0.164 4.311 3.960 0.858 0.000 0.220 376 G C -0.018 174.902 174.900 0.034 0.000 1.353 376 G CA 0.268 45.398 45.100 0.051 0.000 0.872 376 G HN 0.772 nan 8.290 nan 0.000 0.557 377 D N -0.631 119.750 120.400 -0.032 0.000 2.312 377 D HA 0.033 5.188 4.640 0.858 0.000 0.211 377 D C 1.507 177.607 176.300 -0.333 0.000 0.964 377 D CA 1.384 55.247 54.000 -0.228 0.000 0.877 377 D CB -0.025 40.531 40.800 -0.407 0.000 0.924 377 D HN 0.426 nan 8.370 nan 0.000 0.515 378 Y N 0.058 120.422 120.300 0.105 0.000 2.607 378 Y HA 0.174 5.244 4.550 0.867 0.000 0.266 378 Y C 1.804 177.814 175.900 0.183 0.000 1.178 378 Y CA -0.385 57.804 58.100 0.149 0.000 1.226 378 Y CB 0.080 38.629 38.460 0.149 0.000 1.144 378 Y HN -0.070 nan 8.280 nan 0.000 0.528 379 R N -1.140 119.502 120.500 0.237 0.000 2.276 379 R HA -0.159 4.695 4.340 0.858 0.000 0.203 379 R C 1.563 178.007 176.300 0.240 0.000 1.017 379 R CA 0.920 57.140 56.100 0.200 0.000 1.010 379 R CB -0.819 29.556 30.300 0.126 0.000 0.900 379 R HN 0.407 nan 8.270 nan 0.000 0.469 380 Y N 0.826 121.242 120.300 0.194 0.000 2.070 380 Y HA -0.301 4.764 4.550 0.859 0.000 0.280 380 Y C 1.923 178.037 175.900 0.356 0.000 1.148 380 Y CA 1.705 59.945 58.100 0.232 0.000 1.125 380 Y CB -0.600 37.975 38.460 0.192 0.000 0.975 380 Y HN 0.075 nan 8.280 nan 0.000 0.492 381 Y N 1.073 121.376 120.300 0.006 0.000 2.206 381 Y HA -0.067 4.997 4.550 0.855 0.000 0.292 381 Y C 2.121 178.095 175.900 0.123 0.000 1.123 381 Y CA 1.810 59.882 58.100 -0.046 0.000 1.142 381 Y CB -0.922 37.645 38.460 0.179 0.000 1.006 381 Y HN 0.307 nan 8.280 nan 0.000 0.518 382 N N -0.618 118.198 118.700 0.193 0.000 2.069 382 N HA -0.162 5.093 4.740 0.858 0.000 0.191 382 N C 2.020 177.590 175.510 0.101 0.000 1.031 382 N CA 1.393 54.525 53.050 0.137 0.000 0.852 382 N CB -0.598 38.004 38.487 0.193 0.000 1.018 382 N HN 0.444 nan 8.380 nan 0.000 0.423 383 G N -0.274 108.586 108.800 0.100 0.000 2.403 383 G HA2 -0.156 4.319 3.960 0.858 0.000 0.216 383 G HA3 -0.156 4.319 3.960 0.858 0.000 0.216 383 G C 1.590 176.573 174.900 0.138 0.000 1.154 383 G CA 0.525 45.694 45.100 0.115 0.000 0.784 383 G HN 0.186 nan 8.290 nan 0.000 0.538 384 S N 0.495 116.225 115.700 0.050 0.000 2.356 384 S HA -0.010 4.975 4.470 0.858 0.000 0.223 384 S C 2.282 176.862 174.600 -0.034 0.000 1.032 384 S CA 0.785 59.022 58.200 0.061 0.000 1.005 384 S CB -0.254 63.002 63.200 0.094 0.000 0.867 384 S HN 0.291 nan 8.310 nan 0.000 0.449 385 L N -0.370 120.755 121.223 -0.162 0.000 2.093 385 L HA -0.094 4.761 4.340 0.858 0.000 0.208 385 L C 2.304 179.185 176.870 0.018 0.000 1.085 385 L CA 1.319 56.038 54.840 -0.202 0.000 0.755 385 L CB -0.535 41.349 42.059 -0.291 0.000 0.904 385 L HN 0.340 nan 8.230 nan 0.000 0.435 386 Y N 0.482 120.801 120.300 0.032 0.000 2.128 386 Y HA -0.373 4.689 4.550 0.853 0.000 0.284 386 Y C 2.707 178.728 175.900 0.201 0.000 1.154 386 Y CA 2.087 60.293 58.100 0.177 0.000 1.149 386 Y CB -0.051 38.491 38.460 0.136 0.000 0.976 386 Y HN 0.107 nan 8.280 nan 0.000 0.505 387 M N 0.062 119.830 119.600 0.280 0.000 2.067 387 M HA -0.205 4.790 4.480 0.858 0.000 0.260 387 M C 1.928 178.340 176.300 0.187 0.000 1.069 387 M CA 1.883 57.333 55.300 0.250 0.000 1.117 387 M CB -0.722 32.063 32.600 0.308 0.000 1.334 387 M HN 0.355 nan 8.290 nan 0.000 0.407 388 L N -0.277 121.033 121.223 0.144 0.000 2.012 388 L HA -0.206 4.649 4.340 0.858 0.000 0.210 388 L C 2.608 179.569 176.870 0.152 0.000 1.073 388 L CA 1.356 56.287 54.840 0.151 0.000 0.748 388 L CB -1.278 40.807 42.059 0.044 0.000 0.891 388 L HN 0.487 nan 8.230 nan 0.000 0.431 389 A N -0.579 122.273 122.820 0.054 0.000 1.902 389 A HA -0.229 4.606 4.320 0.858 0.000 0.217 389 A C 2.317 179.933 177.584 0.052 0.000 1.181 389 A CA 1.599 53.605 52.037 -0.052 0.000 0.623 389 A CB -0.418 18.340 19.000 -0.403 0.000 0.818 389 A HN 0.276 nan 8.150 nan 0.000 0.443 390 M N -0.402 119.263 119.600 0.108 0.000 2.149 390 M HA -0.108 4.887 4.480 0.858 0.000 0.261 390 M C 2.115 178.551 176.300 0.226 0.000 1.064 390 M CA 1.341 56.761 55.300 0.201 0.000 1.102 390 M CB -1.346 31.297 32.600 0.072 0.000 1.369 390 M HN 0.430 nan 8.290 nan 0.000 0.408 391 L N -1.749 119.588 121.223 0.190 0.000 2.027 391 L HA -0.226 4.629 4.340 0.858 0.000 0.206 391 L C 2.588 179.576 176.870 0.196 0.000 1.074 391 L CA 0.992 55.943 54.840 0.185 0.000 0.745 391 L CB -1.015 41.167 42.059 0.205 0.000 0.898 391 L HN 0.333 nan 8.230 nan 0.000 0.433 392 H N -0.303 118.893 119.070 0.210 0.000 2.421 392 H HA -0.078 4.994 4.556 0.860 0.000 0.298 392 H C 2.091 177.492 175.328 0.121 0.000 1.087 392 H CA 1.988 58.118 56.048 0.136 0.000 1.330 392 H CB 0.092 29.823 29.762 -0.052 0.000 1.388 392 H HN 0.341 nan 8.280 nan 0.000 0.526 393 V N -0.406 119.667 119.914 0.265 0.000 3.649 393 V HA 0.111 4.745 4.120 0.858 0.000 0.275 393 V C 1.473 177.708 176.094 0.235 0.000 1.281 393 V CA 0.955 63.407 62.300 0.254 0.000 1.143 393 V CB 0.007 32.093 31.823 0.438 0.000 0.892 393 V HN 0.312 nan 8.190 nan 0.000 0.441 394 S N -0.821 115.021 115.700 0.237 0.000 2.629 394 S HA 0.491 5.476 4.470 0.858 0.000 0.236 394 S C 1.545 176.236 174.600 0.152 0.000 1.010 394 S CA 0.520 58.839 58.200 0.198 0.000 0.981 394 S CB 0.353 63.697 63.200 0.240 0.000 0.919 394 S HN 1.754 nan 8.310 nan 0.000 0.514 395 G N 1.735 110.643 108.800 0.181 0.000 2.160 395 G HA2 -0.313 4.162 3.960 0.858 0.000 0.251 395 G HA3 -0.313 4.162 3.960 0.858 0.000 0.251 395 G C 0.343 175.291 174.900 0.080 0.000 1.008 395 G CA 0.447 45.664 45.100 0.195 0.000 0.724 395 G HN 0.619 nan 8.290 nan 0.000 0.514 396 N N -1.159 117.600 118.700 0.098 0.000 2.299 396 N HA 0.279 5.534 4.740 0.858 0.000 0.187 396 N C 0.219 175.734 175.510 0.009 0.000 1.099 396 N CA -0.290 52.776 53.050 0.025 0.000 0.867 396 N CB 0.268 38.790 38.487 0.059 0.000 0.974 396 N HN 0.349 nan 8.380 nan 0.000 0.477 397 F N 2.466 122.377 119.950 -0.066 0.000 2.377 397 F HA 0.338 5.382 4.527 0.862 0.000 0.360 397 F C -0.178 175.569 175.800 -0.088 0.000 1.147 397 F CA -0.465 57.499 58.000 -0.060 0.000 1.170 397 F CB 0.046 38.909 39.000 -0.229 0.000 1.339 397 F HN -0.299 nan 8.300 nan 0.000 0.552 398 K N 4.516 124.774 120.400 -0.237 0.000 2.340 398 K HA 0.468 5.303 4.320 0.858 0.000 0.244 398 K C -1.406 175.133 176.600 -0.102 0.000 0.973 398 K CA -0.982 55.032 56.287 -0.456 0.000 0.828 398 K CB 1.947 33.830 32.500 -1.028 0.000 1.226 398 K HN 0.159 nan 8.250 nan 0.000 0.437 399 F N 1.904 121.670 119.950 -0.305 0.000 2.391 399 F HA 0.276 5.318 4.527 0.858 0.000 0.359 399 F C -0.346 175.254 175.800 -0.333 0.000 1.122 399 F CA -1.042 56.706 58.000 -0.419 0.000 1.120 399 F CB 0.255 38.958 39.000 -0.494 0.000 1.142 399 F HN 0.329 nan 8.300 nan 0.000 0.483 400 Y N 2.632 122.912 120.300 -0.033 0.000 2.434 400 Y HA 0.271 5.335 4.550 0.858 0.000 0.341 400 Y C 0.605 176.615 175.900 0.183 0.000 0.965 400 Y CA -0.748 57.362 58.100 0.016 0.000 1.205 400 Y CB 0.379 38.721 38.460 -0.198 0.000 1.121 400 Y HN 0.401 nan 8.280 nan 0.000 0.507 401 N N 2.605 121.515 118.700 0.349 0.000 2.530 401 N HA 0.065 5.320 4.740 0.858 0.000 0.273 401 N C -0.470 175.075 175.510 0.059 0.000 1.173 401 N CA -0.205 53.007 53.050 0.270 0.000 0.967 401 N CB 0.470 39.120 38.487 0.272 0.000 1.109 401 N HN 0.655 nan 8.380 nan 0.000 0.453 402 N N -0.732 117.929 118.700 -0.064 0.000 2.503 402 N HA 0.191 5.446 4.740 0.858 0.000 0.267 402 N C -0.249 174.907 175.510 -0.591 0.000 1.214 402 N CA -0.066 52.767 53.050 -0.363 0.000 0.959 402 N CB 0.650 38.834 38.487 -0.505 0.000 1.142 402 N HN 0.443 nan 8.380 nan 0.000 0.455 403 T N -1.041 113.119 114.554 -0.657 0.000 2.829 403 T HA 0.642 5.507 4.350 0.858 0.000 0.282 403 T C -0.611 173.642 174.700 -0.746 0.000 0.990 403 T CA -0.587 61.209 62.100 -0.506 0.000 1.028 403 T CB 0.266 68.994 68.868 -0.233 0.000 0.951 403 T HN 0.218 nan 8.240 nan 0.000 0.460 404 F N 0.000 119.921 119.950 -0.049 0.000 2.286 404 F HA 0.000 5.042 4.527 0.858 0.000 0.279 404 F CA 0.000 57.968 58.000 -0.054 0.000 1.383 404 F CB 0.000 38.975 39.000 -0.042 0.000 1.145 404 F HN 0.000 nan 8.300 nan 0.000 0.574