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 3lg0_1_A DATA FIRST_RESID 8 DATA SEQUENCE KSSQDYMNNE LTYGAHNYDP IPVVLKRGKG VFVYDIEDRR YYDFLSAYSS DATA SEQUENCE VNQGHCHPDI LNAMINQAKK LTICSRAFFS DSLGVCERYL TNLFGYDKVL DATA SEQUENCE MMNTGAEASE TAYKLCRKWG YEVKKIPENS AKIIVCNNNF XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXFVPNFLKV PYDDLEALEK ELQDPNVCAF IVEPVQGEAG DATA SEQUENCE VIVPSDSYFP GVASLCKKYN VLFVADEVQT GLGRTGKLLC THHYGVKPDV DATA SEQUENCE ILLGKALSGG HYPISAILAN DDVMLVLKPG EHGSTYGGNP LAAAICVEAL DATA SEQUENCE KVLINEKLCE NADKLGAPFL QNLKEQLKDS KVVREVRGKG LLCAIEFKND DATA SEQUENCE LVNVWDICLK FKENGLITRS VHDKTVRLTP PLCITKEQLD ECTEIIVKTV DATA SEQUENCE KFFDDNL 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.646 176.600 0.077 0.000 0.988 8 K CA 0.000 56.286 56.287 -0.002 0.000 0.838 8 K CB 0.000 32.416 32.500 -0.140 0.000 1.064 9 S N -0.554 115.188 115.700 0.071 0.000 2.681 9 S HA 0.312 4.783 4.470 0.002 0.000 0.299 9 S C 0.778 175.509 174.600 0.218 0.000 1.113 9 S CA -0.390 57.883 58.200 0.121 0.000 1.013 9 S CB 1.674 64.916 63.200 0.071 0.000 1.076 9 S HN 0.548 nan 8.310 nan 0.000 0.534 10 S N 0.618 116.437 115.700 0.197 0.000 2.400 10 S HA -0.233 4.238 4.470 0.002 0.000 0.234 10 S C 1.857 176.563 174.600 0.177 0.000 1.049 10 S CA 2.086 60.402 58.200 0.193 0.000 1.039 10 S CB -0.576 62.686 63.200 0.103 0.000 0.856 10 S HN 0.824 nan 8.310 nan 0.000 0.465 11 Q N 1.085 120.955 119.800 0.116 0.000 2.172 11 Q HA -0.080 4.261 4.340 0.002 0.000 0.200 11 Q C 1.330 177.369 176.000 0.064 0.000 0.964 11 Q CA 1.325 57.176 55.803 0.080 0.000 0.855 11 Q CB -0.205 28.564 28.738 0.052 0.000 0.918 11 Q HN 0.367 nan 8.270 nan 0.000 0.444 12 D N -0.852 119.572 120.400 0.040 0.000 2.117 12 D HA -0.173 4.468 4.640 0.002 0.000 0.197 12 D C 1.494 177.756 176.300 -0.063 0.000 0.987 12 D CA 1.197 55.169 54.000 -0.047 0.000 0.829 12 D CB -0.333 40.383 40.800 -0.141 0.000 0.961 12 D HN 0.352 nan 8.370 nan 0.000 0.460 13 Y N 0.584 120.906 120.300 0.037 0.000 2.165 13 Y HA -0.123 4.428 4.550 0.002 0.000 0.286 13 Y C 2.643 178.569 175.900 0.043 0.000 1.155 13 Y CA 1.034 59.159 58.100 0.042 0.000 1.164 13 Y CB -0.358 38.121 38.460 0.033 0.000 0.978 13 Y HN -0.066 nan 8.280 nan 0.000 0.513 14 M N -0.548 119.162 119.600 0.184 0.000 2.175 14 M HA -0.210 4.271 4.480 0.002 0.000 0.264 14 M C 1.651 177.992 176.300 0.068 0.000 1.063 14 M CA 1.289 56.656 55.300 0.112 0.000 1.119 14 M CB -0.292 32.358 32.600 0.083 0.000 1.377 14 M HN 0.226 nan 8.290 nan 0.000 0.415 15 N N 0.643 119.372 118.700 0.048 0.000 2.188 15 N HA -0.142 4.599 4.740 0.002 0.000 0.184 15 N C 1.372 176.893 175.510 0.018 0.000 1.018 15 N CA 1.237 54.297 53.050 0.016 0.000 0.858 15 N CB -0.694 37.794 38.487 0.003 0.000 0.989 15 N HN 0.355 nan 8.380 nan 0.000 0.426 16 N N 1.299 120.030 118.700 0.051 0.000 2.084 16 N HA -0.125 4.616 4.740 0.002 0.000 0.190 16 N C 1.382 176.991 175.510 0.164 0.000 1.030 16 N CA 1.217 54.333 53.050 0.110 0.000 0.849 16 N CB 0.020 38.576 38.487 0.115 0.000 1.012 16 N HN 0.277 nan 8.380 nan 0.000 0.423 17 E N -0.279 120.013 120.200 0.153 0.000 2.153 17 E HA -0.132 4.219 4.350 0.002 0.000 0.194 17 E C 1.931 178.616 176.600 0.141 0.000 0.988 17 E CA 0.670 57.167 56.400 0.162 0.000 0.811 17 E CB -0.098 29.685 29.700 0.139 0.000 0.746 17 E HN 0.441 nan 8.360 nan 0.000 0.466 18 L N 0.636 121.904 121.223 0.076 0.000 2.141 18 L HA -0.152 4.189 4.340 0.002 0.000 0.209 18 L C 2.834 179.803 176.870 0.164 0.000 1.094 18 L CA 1.532 56.417 54.840 0.076 0.000 0.763 18 L CB -0.383 41.645 42.059 -0.051 0.000 0.908 18 L HN 0.276 nan 8.230 nan 0.000 0.437 19 T N -3.982 110.547 114.554 -0.040 0.000 2.937 19 T HA -0.127 4.225 4.350 0.002 0.000 0.260 19 T C 1.432 175.948 174.700 -0.307 0.000 1.051 19 T CA 0.855 62.795 62.100 -0.266 0.000 1.141 19 T CB -0.258 68.256 68.868 -0.591 0.000 0.879 19 T HN 0.226 nan 8.240 nan 0.000 0.459 20 Y N 1.395 121.743 120.300 0.080 0.000 2.442 20 Y HA 0.565 5.116 4.550 0.002 0.000 0.250 20 Y C 1.528 177.466 175.900 0.063 0.000 1.113 20 Y CA -0.997 57.136 58.100 0.056 0.000 1.273 20 Y CB 0.233 38.720 38.460 0.045 0.000 1.138 20 Y HN 0.407 nan 8.280 nan 0.000 0.522 21 G N 0.060 108.992 108.800 0.220 0.000 2.432 21 G HA2 0.597 4.558 3.960 0.002 0.000 0.331 21 G HA3 0.597 4.558 3.960 0.002 0.000 0.331 21 G C -0.547 174.457 174.900 0.174 0.000 1.170 21 G CA -0.455 44.756 45.100 0.186 0.000 0.943 21 G HN 0.238 nan 8.290 nan 0.000 0.483 22 A N 0.332 123.227 122.820 0.125 0.000 2.507 22 A HA 0.254 4.575 4.320 0.002 0.000 0.235 22 A C 0.287 178.006 177.584 0.225 0.000 1.070 22 A CA 0.035 52.118 52.037 0.076 0.000 0.768 22 A CB -0.110 18.923 19.000 0.055 0.000 1.011 22 A HN 0.865 nan 8.150 nan 0.000 0.502 23 H N 1.579 120.665 119.070 0.027 0.000 2.655 23 H HA 0.044 4.601 4.556 0.002 0.000 0.309 23 H C 0.620 175.940 175.328 -0.013 0.000 1.180 23 H CA -0.076 55.986 56.048 0.025 0.000 1.087 23 H CB 0.135 29.901 29.762 0.006 0.000 1.494 23 H HN 0.798 nan 8.280 nan 0.000 0.515 24 N N 0.105 118.844 118.700 0.064 0.000 2.336 24 N HA -0.076 4.665 4.740 0.002 0.000 0.189 24 N C -0.397 174.893 175.510 -0.366 0.000 1.113 24 N CA 0.195 53.145 53.050 -0.166 0.000 0.858 24 N CB 0.199 38.525 38.487 -0.268 0.000 0.970 24 N HN 0.289 nan 8.380 nan 0.000 0.471 25 Y N -0.233 120.103 120.300 0.060 0.000 2.598 25 Y HA 0.428 4.979 4.550 0.002 0.000 0.340 25 Y C -0.475 175.453 175.900 0.048 0.000 1.038 25 Y CA -1.350 56.782 58.100 0.053 0.000 1.100 25 Y CB 1.638 40.135 38.460 0.061 0.000 1.281 25 Y HN -0.154 nan 8.280 nan 0.000 0.488 26 D N 1.799 122.350 120.400 0.251 0.000 2.613 26 D HA 0.361 5.002 4.640 0.002 0.000 0.312 26 D C -2.841 173.630 176.300 0.286 0.000 1.202 26 D CA -1.845 52.252 54.000 0.161 0.000 0.825 26 D CB 0.380 41.202 40.800 0.036 0.000 1.113 26 D HN 0.131 nan 8.370 nan 0.000 0.502 27 P HA 0.247 nan 4.420 nan 0.000 0.274 27 P C 0.202 177.697 177.300 0.326 0.000 1.237 27 P CA -0.724 62.521 63.100 0.242 0.000 0.793 27 P CB 0.807 32.581 31.700 0.125 0.000 0.977 28 I N 2.885 123.533 120.570 0.129 0.000 2.775 28 I HA -0.016 4.155 4.170 0.002 0.000 0.290 28 I C -1.684 174.422 176.117 -0.019 0.000 1.203 28 I CA -1.853 59.386 61.300 -0.101 0.000 1.433 28 I CB -0.435 37.409 38.000 -0.259 0.000 1.354 28 I HN 0.244 nan 8.210 nan 0.000 0.579 29 P HA 0.135 nan 4.420 nan 0.000 0.235 29 P C -0.459 176.813 177.300 -0.046 0.000 1.765 29 P CA 0.256 63.366 63.100 0.018 0.000 1.034 29 P CB 0.114 31.847 31.700 0.056 0.000 1.984 30 V N 2.477 122.338 119.914 -0.088 0.000 2.709 30 V HA 0.395 4.516 4.120 0.002 0.000 0.308 30 V C -0.873 175.154 176.094 -0.112 0.000 1.062 30 V CA -0.972 61.242 62.300 -0.144 0.000 0.901 30 V CB 2.821 34.441 31.823 -0.340 0.000 1.003 30 V HN -0.135 nan 8.190 nan 0.000 0.425 31 V N 7.979 127.842 119.914 -0.085 0.000 2.313 31 V HA 0.459 4.580 4.120 0.002 0.000 0.278 31 V C 0.013 176.032 176.094 -0.125 0.000 1.017 31 V CA -0.446 61.792 62.300 -0.102 0.000 0.823 31 V CB 1.118 32.886 31.823 -0.092 0.000 1.010 31 V HN 0.695 nan 8.190 nan 0.000 0.443 32 L N 5.151 126.295 121.223 -0.133 0.000 2.375 32 L HA 0.533 4.875 4.340 0.002 0.000 0.271 32 L C 1.064 177.859 176.870 -0.125 0.000 1.107 32 L CA -0.319 54.458 54.840 -0.105 0.000 0.806 32 L CB 1.073 43.063 42.059 -0.114 0.000 1.146 32 L HN 0.766 nan 8.230 nan 0.000 0.447 33 K N 1.171 121.525 120.400 -0.076 0.000 2.538 33 K HA 0.286 4.607 4.320 0.002 0.000 0.215 33 K C 0.387 176.963 176.600 -0.038 0.000 1.345 33 K CA -0.471 55.764 56.287 -0.086 0.000 0.985 33 K CB 1.070 33.513 32.500 -0.095 0.000 1.116 33 K HN 0.525 nan 8.250 nan 0.000 0.582 34 R N 0.382 120.890 120.500 0.014 0.000 2.626 34 R HA 0.471 4.813 4.340 0.002 0.000 0.274 34 R C -1.594 174.761 176.300 0.091 0.000 1.031 34 R CA -0.632 55.497 56.100 0.048 0.000 0.898 34 R CB 2.290 32.605 30.300 0.026 0.000 1.222 34 R HN 0.221 nan 8.270 nan 0.000 0.455 35 G N 2.021 110.826 108.800 0.008 0.000 2.620 35 G HA2 0.572 4.533 3.960 0.002 0.000 0.301 35 G HA3 0.572 4.533 3.960 0.002 0.000 0.301 35 G C -1.773 173.199 174.900 0.120 0.000 1.347 35 G CA -0.408 44.630 45.100 -0.102 0.000 0.971 35 G HN 0.429 nan 8.290 nan 0.000 0.488 36 K N 0.670 121.199 120.400 0.216 0.000 2.589 36 K HA 0.596 4.917 4.320 0.002 0.000 0.253 36 K C 0.711 177.442 176.600 0.218 0.000 0.974 36 K CA 0.720 57.144 56.287 0.228 0.000 0.835 36 K CB 1.093 33.720 32.500 0.212 0.000 1.272 36 K HN 1.884 nan 8.250 nan 0.000 0.444 37 G N 1.960 110.857 108.800 0.160 0.000 2.665 37 G HA2 -0.368 3.593 3.960 0.002 0.000 0.326 37 G HA3 -0.368 3.593 3.960 0.002 0.000 0.326 37 G C 0.691 175.623 174.900 0.053 0.000 1.231 37 G CA 0.431 45.580 45.100 0.081 0.000 0.992 37 G HN 1.049 nan 8.290 nan 0.000 0.549 38 V N 1.040 120.877 119.914 -0.127 0.000 3.649 38 V HA 0.525 4.646 4.120 0.002 0.000 0.275 38 V C 0.172 176.060 176.094 -0.344 0.000 1.281 38 V CA 0.599 62.745 62.300 -0.257 0.000 1.143 38 V CB -0.579 31.022 31.823 -0.371 0.000 0.892 38 V HN 0.370 nan 8.190 nan 0.000 0.441 39 F N -0.198 119.744 119.950 -0.013 0.000 2.492 39 F HA 0.676 5.204 4.527 0.002 0.000 0.327 39 F C 0.089 175.705 175.800 -0.308 0.000 1.079 39 F CA -1.115 56.744 58.000 -0.234 0.000 0.967 39 F CB 1.756 40.522 39.000 -0.390 0.000 1.169 39 F HN -0.118 nan 8.300 nan 0.000 0.472 40 V N -0.260 119.522 119.914 -0.220 0.000 3.074 40 V HA 0.700 4.821 4.120 0.002 0.000 0.314 40 V C -1.765 174.046 176.094 -0.471 0.000 1.117 40 V CA -1.220 60.910 62.300 -0.284 0.000 1.014 40 V CB 2.020 33.718 31.823 -0.207 0.000 1.057 40 V HN 0.632 nan 8.190 nan 0.000 0.438 41 Y N 0.806 121.120 120.300 0.024 0.000 2.421 41 Y HA 0.640 5.191 4.550 0.002 0.000 0.339 41 Y C -0.168 175.757 175.900 0.042 0.000 0.996 41 Y CA -0.851 57.272 58.100 0.039 0.000 1.046 41 Y CB 1.686 40.123 38.460 -0.037 0.000 1.226 41 Y HN 0.968 nan 8.280 nan 0.000 0.445 42 D N 0.904 121.449 120.400 0.241 0.000 2.506 42 D HA 0.164 4.805 4.640 0.002 0.000 0.272 42 D C 0.986 177.334 176.300 0.080 0.000 1.214 42 D CA -0.405 53.678 54.000 0.138 0.000 1.067 42 D CB 0.776 41.690 40.800 0.191 0.000 1.117 42 D HN 0.312 nan 8.370 nan 0.000 0.578 43 I N -0.492 120.099 120.570 0.035 0.000 2.264 43 I HA -0.188 3.983 4.170 0.002 0.000 0.248 43 I C 1.381 177.534 176.117 0.060 0.000 1.111 43 I CA 1.334 62.655 61.300 0.034 0.000 1.382 43 I CB -1.374 36.670 38.000 0.073 0.000 1.060 43 I HN 0.445 nan 8.210 nan 0.000 0.418 44 E N 0.560 120.801 120.200 0.067 0.000 2.403 44 E HA -0.004 4.347 4.350 0.002 0.000 0.187 44 E C 0.059 176.680 176.600 0.034 0.000 1.073 44 E CA 0.017 56.446 56.400 0.049 0.000 0.888 44 E CB -0.302 29.427 29.700 0.049 0.000 1.035 44 E HN 0.218 nan 8.360 nan 0.000 0.471 45 D N 0.113 120.541 120.400 0.048 0.000 3.059 45 D HA -0.226 4.416 4.640 0.002 0.000 0.220 45 D C -0.340 175.982 176.300 0.036 0.000 1.169 45 D CA 0.724 54.753 54.000 0.047 0.000 0.902 45 D CB -0.837 39.962 40.800 -0.001 0.000 1.116 45 D HN 0.349 nan 8.370 nan 0.000 0.417 46 R N 0.651 121.148 120.500 -0.005 0.000 2.643 46 R HA 0.350 4.691 4.340 0.002 0.000 0.270 46 R C 0.925 177.048 176.300 -0.296 0.000 1.061 46 R CA -0.015 55.973 56.100 -0.186 0.000 1.107 46 R CB 1.102 31.240 30.300 -0.270 0.000 0.999 46 R HN 0.091 nan 8.270 nan 0.000 0.460 47 R N 2.312 122.504 120.500 -0.515 0.000 2.532 47 R HA 0.316 4.657 4.340 0.002 0.000 0.295 47 R C -1.361 174.484 176.300 -0.758 0.000 0.968 47 R CA -0.517 55.201 56.100 -0.636 0.000 0.916 47 R CB 0.892 30.810 30.300 -0.637 0.000 1.124 47 R HN 0.530 nan 8.270 nan 0.000 0.463 48 Y N 1.854 121.970 120.300 -0.306 0.000 2.512 48 Y HA 0.303 4.854 4.550 0.002 0.000 0.348 48 Y C -0.854 175.072 175.900 0.043 0.000 0.990 48 Y CA -0.919 57.125 58.100 -0.095 0.000 1.033 48 Y CB 1.268 39.697 38.460 -0.053 0.000 1.259 48 Y HN 0.442 nan 8.280 nan 0.000 0.461 49 Y N 1.472 121.969 120.300 0.328 0.000 2.465 49 Y HA 0.067 4.618 4.550 0.002 0.000 0.331 49 Y C 0.474 176.507 175.900 0.222 0.000 1.102 49 Y CA -0.020 58.229 58.100 0.248 0.000 1.358 49 Y CB 0.468 39.052 38.460 0.207 0.000 1.213 49 Y HN 0.496 nan 8.280 nan 0.000 0.525 50 D N 3.685 124.260 120.400 0.292 0.000 2.365 50 D HA 0.041 4.682 4.640 0.002 0.000 0.237 50 D C -0.499 175.912 176.300 0.185 0.000 1.190 50 D CA 0.094 54.211 54.000 0.194 0.000 0.867 50 D CB 0.088 40.991 40.800 0.173 0.000 1.050 50 D HN 0.399 nan 8.370 nan 0.000 0.491 51 F N 3.321 123.233 119.950 -0.064 0.000 2.641 51 F HA 0.175 4.704 4.527 0.002 0.000 0.302 51 F C 1.302 177.016 175.800 -0.144 0.000 1.098 51 F CA -0.256 57.673 58.000 -0.119 0.000 1.318 51 F CB 0.420 39.323 39.000 -0.162 0.000 1.035 51 F HN 0.350 nan 8.300 nan 0.000 0.551 52 L N -0.925 120.242 121.223 -0.092 0.000 2.467 52 L HA 0.225 4.566 4.340 0.002 0.000 0.213 52 L C 1.361 178.070 176.870 -0.268 0.000 1.053 52 L CA 0.882 55.579 54.840 -0.239 0.000 0.847 52 L CB -0.200 41.663 42.059 -0.327 0.000 1.075 52 L HN -0.032 nan 8.230 nan 0.000 0.479 53 S N 0.609 116.196 115.700 -0.189 0.000 3.587 53 S HA -0.222 4.249 4.470 0.002 0.000 0.337 53 S C 0.842 175.332 174.600 -0.184 0.000 1.119 53 S CA 0.921 59.005 58.200 -0.194 0.000 0.976 53 S CB -2.298 60.777 63.200 -0.208 0.000 0.922 53 S HN 1.305 nan 8.310 nan 0.000 0.503 54 A N -0.858 121.850 122.820 -0.187 0.000 2.640 54 A HA -0.203 4.119 4.320 0.002 0.000 0.300 54 A C 0.547 178.132 177.584 0.001 0.000 1.499 54 A CA 1.417 53.386 52.037 -0.113 0.000 0.759 54 A CB -2.224 16.761 19.000 -0.026 0.000 1.048 54 A HN 1.843 nan 8.150 nan 0.000 0.450 55 Y N -2.465 117.812 120.300 -0.039 0.000 3.234 55 Y HA -0.182 4.369 4.550 0.002 0.000 0.207 55 Y C 1.297 177.170 175.900 -0.045 0.000 1.316 55 Y CA 1.466 59.546 58.100 -0.034 0.000 1.309 55 Y CB -2.363 36.085 38.460 -0.020 0.000 1.408 55 Y HN 1.484 nan 8.280 nan 0.000 0.544 56 S N -3.475 112.226 115.700 0.002 0.000 2.857 56 S HA -0.309 4.162 4.470 0.002 0.000 0.268 56 S C 1.531 176.115 174.600 -0.027 0.000 1.297 56 S CA 1.029 59.215 58.200 -0.024 0.000 1.280 56 S CB -1.367 61.834 63.200 0.002 0.000 1.562 56 S HN 0.675 nan 8.310 nan 0.000 0.661 57 S N 0.501 116.190 115.700 -0.017 0.000 2.382 57 S HA -0.060 4.411 4.470 0.002 0.000 0.228 57 S C 1.403 175.964 174.600 -0.064 0.000 1.027 57 S CA 1.415 59.601 58.200 -0.023 0.000 0.991 57 S CB -0.120 63.074 63.200 -0.009 0.000 0.823 57 S HN 1.061 nan 8.310 nan 0.000 0.469 58 V N 0.386 120.215 119.914 -0.143 0.000 2.908 58 V HA 0.421 4.542 4.120 0.002 0.000 0.369 58 V C 0.613 176.610 176.094 -0.162 0.000 1.259 58 V CA -0.559 61.621 62.300 -0.200 0.000 1.406 58 V CB -0.547 30.988 31.823 -0.480 0.000 1.475 58 V HN 0.062 nan 8.190 nan 0.000 0.587 59 N N 1.978 120.616 118.700 -0.104 0.000 2.137 59 N HA -0.193 4.548 4.740 0.002 0.000 0.190 59 N C 1.580 177.048 175.510 -0.070 0.000 1.017 59 N CA 1.837 54.833 53.050 -0.091 0.000 0.859 59 N CB -0.241 38.208 38.487 -0.063 0.000 1.002 59 N HN 0.699 nan 8.380 nan 0.000 0.428 60 Q N -0.292 119.481 119.800 -0.046 0.000 2.482 60 Q HA 0.305 4.646 4.340 0.002 0.000 0.209 60 Q C 0.564 176.610 176.000 0.076 0.000 0.961 60 Q CA 0.428 56.232 55.803 0.001 0.000 0.945 60 Q CB 0.090 28.798 28.738 -0.050 0.000 1.012 60 Q HN 0.357 nan 8.270 nan 0.000 0.515 61 G N -0.202 108.593 108.800 -0.009 0.000 2.690 61 G HA2 -0.207 3.754 3.960 0.002 0.000 0.686 61 G HA3 -0.207 3.754 3.960 0.002 0.000 0.686 61 G C -1.294 173.615 174.900 0.014 0.000 1.277 61 G CA -0.992 44.105 45.100 -0.005 0.000 0.799 61 G HN 0.341 nan 8.290 nan 0.000 0.613 62 H N -0.840 118.257 119.070 0.045 0.000 2.897 62 H HA 0.340 4.898 4.556 0.002 0.000 0.347 62 H C 1.540 176.923 175.328 0.091 0.000 1.068 62 H CA 1.164 57.242 56.048 0.050 0.000 1.426 62 H CB 0.493 30.276 29.762 0.035 0.000 1.410 62 H HN 1.266 nan 8.280 nan 0.000 0.597 63 C N 2.973 122.406 119.300 0.222 0.000 4.028 63 C HA -0.203 4.258 4.460 0.002 0.000 0.300 63 C C 0.592 175.736 174.990 0.257 0.000 1.399 63 C CA 0.143 59.294 59.018 0.220 0.000 2.051 63 C CB -2.771 25.053 27.740 0.141 0.000 1.318 63 C HN 0.796 nan 8.230 nan 0.000 0.696 64 H N 1.583 120.794 119.070 0.234 0.000 2.975 64 H HA 0.110 4.667 4.556 0.002 0.000 0.303 64 H C -1.135 174.233 175.328 0.066 0.000 1.023 64 H CA -0.615 55.500 56.048 0.113 0.000 1.473 64 H CB 1.107 30.905 29.762 0.060 0.000 1.498 64 H HN 0.241 nan 8.280 nan 0.000 0.549 65 P HA -0.100 nan 4.420 nan 0.000 0.218 65 P C 0.914 178.293 177.300 0.130 0.000 1.149 65 P CA 0.865 64.007 63.100 0.070 0.000 0.817 65 P CB 0.548 32.233 31.700 -0.025 0.000 0.785 66 D N -0.559 120.022 120.400 0.302 0.000 2.097 66 D HA -0.099 4.542 4.640 0.002 0.000 0.197 66 D C 1.995 178.289 176.300 -0.009 0.000 0.984 66 D CA 0.981 55.062 54.000 0.136 0.000 0.826 66 D CB -0.734 40.143 40.800 0.128 0.000 0.973 66 D HN 0.172 nan 8.370 nan 0.000 0.460 67 I N 0.391 120.918 120.570 -0.071 0.000 2.179 67 I HA -0.233 3.938 4.170 0.002 0.000 0.242 67 I C 2.330 178.256 176.117 -0.317 0.000 1.088 67 I CA 0.509 61.634 61.300 -0.291 0.000 1.357 67 I CB -0.238 37.465 38.000 -0.494 0.000 1.051 67 I HN 0.024 nan 8.210 nan 0.000 0.409 68 L N 1.434 122.522 121.223 -0.226 0.000 2.081 68 L HA -0.259 4.082 4.340 0.002 0.000 0.212 68 L C 2.057 178.914 176.870 -0.022 0.000 1.080 68 L CA 2.017 56.829 54.840 -0.048 0.000 0.754 68 L CB -1.109 41.015 42.059 0.109 0.000 0.893 68 L HN 0.226 nan 8.230 nan 0.000 0.433 69 N N -0.444 118.243 118.700 -0.022 0.000 2.084 69 N HA -0.136 4.605 4.740 0.002 0.000 0.190 69 N C 1.812 177.300 175.510 -0.036 0.000 1.030 69 N CA 1.590 54.631 53.050 -0.016 0.000 0.849 69 N CB -0.281 38.202 38.487 -0.008 0.000 1.012 69 N HN 0.490 nan 8.380 nan 0.000 0.423 70 A N 0.385 123.165 122.820 -0.067 0.000 1.972 70 A HA -0.143 4.178 4.320 0.002 0.000 0.219 70 A C 2.249 179.792 177.584 -0.069 0.000 1.169 70 A CA 1.413 53.403 52.037 -0.079 0.000 0.635 70 A CB -0.643 18.289 19.000 -0.113 0.000 0.810 70 A HN 0.509 nan 8.150 nan 0.000 0.446 71 M N -0.402 119.158 119.600 -0.067 0.000 2.067 71 M HA -0.105 4.376 4.480 0.002 0.000 0.260 71 M C 1.955 178.254 176.300 -0.001 0.000 1.069 71 M CA 1.921 57.203 55.300 -0.030 0.000 1.117 71 M CB -0.308 32.299 32.600 0.011 0.000 1.334 71 M HN 0.416 nan 8.290 nan 0.000 0.407 72 I N 0.758 121.334 120.570 0.008 0.000 2.208 72 I HA -0.348 3.823 4.170 0.002 0.000 0.245 72 I C 1.932 178.051 176.117 0.004 0.000 1.097 72 I CA 1.128 62.438 61.300 0.016 0.000 1.363 72 I CB -0.876 37.135 38.000 0.019 0.000 1.051 72 I HN 0.397 nan 8.210 nan 0.000 0.413 73 N N 0.580 119.275 118.700 -0.009 0.000 2.069 73 N HA -0.255 4.486 4.740 0.002 0.000 0.191 73 N C 1.862 177.363 175.510 -0.016 0.000 1.031 73 N CA 1.373 54.415 53.050 -0.014 0.000 0.852 73 N CB -0.401 38.072 38.487 -0.023 0.000 1.018 73 N HN 0.354 nan 8.380 nan 0.000 0.423 74 Q N 0.634 120.420 119.800 -0.024 0.000 2.137 74 Q HA 0.185 4.526 4.340 0.002 0.000 0.198 74 Q C 1.750 177.744 176.000 -0.011 0.000 0.960 74 Q CA 1.413 57.200 55.803 -0.026 0.000 0.847 74 Q CB -0.424 28.284 28.738 -0.049 0.000 0.915 74 Q HN 0.312 nan 8.270 nan 0.000 0.448 75 A N 0.430 123.251 122.820 0.000 0.000 2.019 75 A HA -0.169 4.152 4.320 0.002 0.000 0.219 75 A C 1.897 179.493 177.584 0.021 0.000 1.164 75 A CA 1.490 53.539 52.037 0.021 0.000 0.644 75 A CB -0.363 18.662 19.000 0.041 0.000 0.805 75 A HN 0.377 nan 8.150 nan 0.000 0.449 76 K N -0.320 120.088 120.400 0.013 0.000 2.097 76 K HA -0.093 4.228 4.320 0.002 0.000 0.205 76 K C 1.967 178.572 176.600 0.008 0.000 1.050 76 K CA 1.537 57.831 56.287 0.012 0.000 0.938 76 K CB -0.079 32.426 32.500 0.007 0.000 0.718 76 K HN 0.436 nan 8.250 nan 0.000 0.442 77 K N -0.149 120.253 120.400 0.004 0.000 2.044 77 K HA 0.051 4.372 4.320 0.002 0.000 0.204 77 K C 0.015 176.618 176.600 0.005 0.000 1.045 77 K CA 0.614 56.902 56.287 0.001 0.000 0.951 77 K CB 0.240 32.737 32.500 -0.004 0.000 0.738 77 K HN -0.086 nan 8.250 nan 0.000 0.443 78 L N -0.271 120.956 121.223 0.007 0.000 2.787 78 L HA 0.069 4.410 4.340 0.002 0.000 0.260 78 L C 0.160 177.039 176.870 0.014 0.000 0.921 78 L CA -0.055 54.793 54.840 0.013 0.000 0.984 78 L CB 1.644 43.709 42.059 0.011 0.000 1.519 78 L HN 0.205 nan 8.230 nan 0.000 0.452 79 T N 2.249 116.821 114.554 0.030 0.000 3.042 79 T HA 0.409 4.760 4.350 0.002 0.000 0.245 79 T C 0.543 175.270 174.700 0.044 0.000 1.029 79 T CA 0.664 62.791 62.100 0.045 0.000 1.120 79 T CB 0.256 69.179 68.868 0.092 0.000 0.917 79 T HN 0.448 nan 8.240 nan 0.000 0.467 80 I N 1.567 122.155 120.570 0.029 0.000 2.710 80 I HA 0.517 4.689 4.170 0.002 0.000 0.290 80 I C -1.477 174.642 176.117 0.003 0.000 1.318 80 I CA -1.225 60.069 61.300 -0.009 0.000 1.045 80 I CB 1.724 39.675 38.000 -0.083 0.000 1.307 80 I HN 0.591 nan 8.210 nan 0.000 0.424 81 C N 3.573 122.885 119.300 0.020 0.000 2.719 81 C HA 0.902 5.363 4.460 0.002 0.000 0.327 81 C C 0.724 175.718 174.990 0.006 0.000 1.238 81 C CA -0.304 58.766 59.018 0.087 0.000 1.727 81 C CB 0.938 28.797 27.740 0.199 0.000 2.256 81 C HN 0.834 nan 8.230 nan 0.000 0.489 82 S N 1.124 116.805 115.700 -0.031 0.000 2.632 82 S HA 0.425 4.896 4.470 0.002 0.000 0.267 82 S C 0.810 175.299 174.600 -0.185 0.000 1.193 82 S CA -0.482 57.624 58.200 -0.155 0.000 1.003 82 S CB 0.317 63.384 63.200 -0.223 0.000 1.073 82 S HN 0.800 nan 8.310 nan 0.000 0.553 83 R N 0.147 120.521 120.500 -0.210 0.000 2.313 83 R HA 0.256 4.597 4.340 0.002 0.000 0.199 83 R C 1.878 177.974 176.300 -0.339 0.000 0.958 83 R CA 0.670 56.631 56.100 -0.232 0.000 1.047 83 R CB -1.775 28.421 30.300 -0.174 0.000 0.955 83 R HN 0.768 nan 8.270 nan 0.000 0.481 84 A N 0.267 122.794 122.820 -0.489 0.000 2.121 84 A HA 0.038 4.359 4.320 0.002 0.000 0.218 84 A C 0.207 177.290 177.584 -0.835 0.000 1.154 84 A CA 0.940 52.543 52.037 -0.723 0.000 0.679 84 A CB -0.074 18.339 19.000 -0.979 0.000 0.795 84 A HN 0.094 nan 8.150 nan 0.000 0.458 85 F N -3.393 116.470 119.950 -0.144 0.000 2.664 85 F HA 0.692 5.220 4.527 0.001 0.000 0.329 85 F C -0.364 175.317 175.800 -0.199 0.000 1.090 85 F CA -2.067 55.864 58.000 -0.116 0.000 0.978 85 F CB 0.484 39.477 39.000 -0.012 0.000 1.378 85 F HN -0.087 nan 8.300 nan 0.000 0.495 86 F N 0.481 120.554 119.950 0.205 0.000 2.397 86 F HA 0.577 5.105 4.527 0.001 0.000 0.331 86 F C 0.533 176.386 175.800 0.088 0.000 1.090 86 F CA -0.425 57.636 58.000 0.102 0.000 1.065 86 F CB 1.708 40.750 39.000 0.070 0.000 1.184 86 F HN 0.447 nan 8.300 nan 0.000 0.499 87 S N 0.011 115.861 115.700 0.250 0.000 2.689 87 S HA 0.312 4.784 4.470 0.002 0.000 0.306 87 S C 0.336 175.011 174.600 0.125 0.000 1.104 87 S CA -0.569 57.720 58.200 0.148 0.000 0.973 87 S CB 1.621 64.873 63.200 0.086 0.000 1.121 87 S HN 0.655 nan 8.310 nan 0.000 0.523 88 D N 0.650 121.091 120.400 0.068 0.000 2.194 88 D HA -0.076 4.565 4.640 0.002 0.000 0.204 88 D C 1.740 178.060 176.300 0.032 0.000 0.964 88 D CA 1.226 55.251 54.000 0.040 0.000 0.846 88 D CB -0.767 40.043 40.800 0.017 0.000 0.962 88 D HN 0.444 nan 8.370 nan 0.000 0.490 89 S N -0.367 115.347 115.700 0.024 0.000 2.383 89 S HA -0.079 4.392 4.470 0.002 0.000 0.227 89 S C 1.861 176.470 174.600 0.014 0.000 1.026 89 S CA 0.407 58.610 58.200 0.004 0.000 0.981 89 S CB -0.442 62.748 63.200 -0.017 0.000 0.818 89 S HN 0.213 nan 8.310 nan 0.000 0.472 90 L N 2.002 123.246 121.223 0.035 0.000 1.989 90 L HA 0.041 4.382 4.340 0.002 0.000 0.211 90 L C 2.346 179.248 176.870 0.054 0.000 1.071 90 L CA 2.485 57.350 54.840 0.041 0.000 0.749 90 L CB -1.471 40.624 42.059 0.059 0.000 0.890 90 L HN 0.360 nan 8.230 nan 0.000 0.431 91 G N -1.363 107.479 108.800 0.070 0.000 2.432 91 G HA2 -0.167 3.794 3.960 0.002 0.000 0.219 91 G HA3 -0.167 3.794 3.960 0.002 0.000 0.219 91 G C 1.522 176.455 174.900 0.055 0.000 1.135 91 G CA 1.011 46.150 45.100 0.066 0.000 0.767 91 G HN 0.367 nan 8.290 nan 0.000 0.550 92 V N 0.392 120.332 119.914 0.043 0.000 2.261 92 V HA -0.246 3.875 4.120 0.002 0.000 0.246 92 V C 2.960 179.098 176.094 0.073 0.000 1.047 92 V CA 1.741 64.068 62.300 0.045 0.000 1.015 92 V CB -1.009 30.823 31.823 0.015 0.000 0.642 92 V HN 0.569 nan 8.190 nan 0.000 0.446 93 C N 0.488 119.817 119.300 0.049 0.000 2.398 93 C HA -0.225 4.237 4.460 0.002 0.000 0.276 93 C C 2.759 177.828 174.990 0.132 0.000 1.222 93 C CA 1.945 61.007 59.018 0.073 0.000 1.746 93 C CB -1.080 26.675 27.740 0.024 0.000 2.039 93 C HN 0.684 nan 8.230 nan 0.000 0.470 94 E N -0.282 119.974 120.200 0.093 0.000 2.077 94 E HA -0.240 4.111 4.350 0.002 0.000 0.193 94 E C 2.428 179.086 176.600 0.098 0.000 0.989 94 E CA 1.261 57.714 56.400 0.088 0.000 0.800 94 E CB -0.337 29.403 29.700 0.066 0.000 0.746 94 E HN 0.644 nan 8.360 nan 0.000 0.452 95 R N 0.185 120.741 120.500 0.094 0.000 2.073 95 R HA -0.216 4.125 4.340 0.002 0.000 0.234 95 R C 2.343 178.697 176.300 0.090 0.000 1.134 95 R CA 1.531 57.678 56.100 0.078 0.000 0.952 95 R CB -0.413 29.927 30.300 0.067 0.000 0.850 95 R HN 0.223 nan 8.270 nan 0.000 0.433 96 Y N 1.100 121.412 120.300 0.020 0.000 2.081 96 Y HA -0.258 4.293 4.550 0.002 0.000 0.280 96 Y C 1.902 177.829 175.900 0.046 0.000 1.163 96 Y CA 2.054 60.163 58.100 0.015 0.000 1.135 96 Y CB -0.258 38.204 38.460 0.004 0.000 0.970 96 Y HN 0.073 nan 8.280 nan 0.000 0.498 97 L N -0.580 120.757 121.223 0.189 0.000 2.109 97 L HA -0.185 4.156 4.340 0.002 0.000 0.207 97 L C 2.596 179.577 176.870 0.185 0.000 1.086 97 L CA 1.738 56.707 54.840 0.214 0.000 0.760 97 L CB -0.984 41.227 42.059 0.253 0.000 0.910 97 L HN 0.407 nan 8.230 nan 0.000 0.437 98 T N -3.161 111.462 114.554 0.114 0.000 2.737 98 T HA -0.130 4.221 4.350 0.002 0.000 0.265 98 T C 1.738 176.476 174.700 0.064 0.000 1.038 98 T CA 1.247 63.421 62.100 0.123 0.000 1.144 98 T CB -0.412 68.509 68.868 0.088 0.000 0.866 98 T HN 0.193 nan 8.240 nan 0.000 0.434 99 N N 1.645 120.326 118.700 -0.032 0.000 2.084 99 N HA -0.019 4.722 4.740 0.002 0.000 0.190 99 N C 1.820 177.223 175.510 -0.178 0.000 1.030 99 N CA 1.048 54.037 53.050 -0.102 0.000 0.849 99 N CB -0.845 37.564 38.487 -0.131 0.000 1.012 99 N HN 0.268 nan 8.380 nan 0.000 0.423 100 L N -0.015 121.018 121.223 -0.318 0.000 2.013 100 L HA -0.090 4.251 4.340 0.002 0.000 0.212 100 L C 1.496 178.102 176.870 -0.440 0.000 1.073 100 L CA 1.725 56.272 54.840 -0.488 0.000 0.753 100 L CB -0.597 41.012 42.059 -0.751 0.000 0.890 100 L HN 0.056 nan 8.230 nan 0.000 0.432 101 F N -0.478 119.429 119.950 -0.072 0.000 2.746 101 F HA 0.388 4.917 4.527 0.002 0.000 0.297 101 F C 1.652 177.481 175.800 0.049 0.000 1.113 101 F CA 0.435 58.454 58.000 0.031 0.000 1.367 101 F CB -0.197 38.871 39.000 0.114 0.000 1.111 101 F HN 0.156 nan 8.300 nan 0.000 0.590 102 G N 0.528 109.396 108.800 0.114 0.000 2.291 102 G HA2 -0.288 3.673 3.960 0.002 0.000 0.271 102 G HA3 -0.288 3.673 3.960 0.002 0.000 0.271 102 G C -0.688 174.058 174.900 -0.255 0.000 1.099 102 G CA -0.418 44.637 45.100 -0.075 0.000 0.919 102 G HN 0.339 nan 8.290 nan 0.000 0.496 103 Y N -0.963 119.353 120.300 0.026 0.000 2.536 103 Y HA 0.453 5.004 4.550 0.002 0.000 0.347 103 Y C 1.204 177.106 175.900 0.003 0.000 1.000 103 Y CA -0.840 57.263 58.100 0.004 0.000 1.051 103 Y CB 1.419 39.871 38.460 -0.014 0.000 1.259 103 Y HN 0.069 nan 8.280 nan 0.000 0.468 104 D N 0.956 121.442 120.400 0.144 0.000 2.104 104 D HA -0.090 4.551 4.640 0.002 0.000 0.194 104 D C -0.079 176.274 176.300 0.088 0.000 0.994 104 D CA 1.760 55.812 54.000 0.087 0.000 0.830 104 D CB 0.267 41.109 40.800 0.071 0.000 0.959 104 D HN 0.435 nan 8.370 nan 0.000 0.452 105 K N -0.689 119.770 120.400 0.098 0.000 2.482 105 K HA 0.584 4.906 4.320 0.002 0.000 0.257 105 K C -1.401 175.214 176.600 0.026 0.000 0.969 105 K CA -0.708 55.614 56.287 0.059 0.000 0.842 105 K CB 3.707 36.235 32.500 0.046 0.000 1.359 105 K HN -0.217 nan 8.250 nan 0.000 0.441 106 V N 2.380 122.300 119.914 0.010 0.000 3.007 106 V HA 0.574 4.695 4.120 0.002 0.000 0.311 106 V C -1.987 174.091 176.094 -0.027 0.000 1.120 106 V CA -0.923 61.360 62.300 -0.029 0.000 0.980 106 V CB 2.058 33.872 31.823 -0.015 0.000 1.033 106 V HN 0.564 nan 8.190 nan 0.000 0.429 107 L N 6.833 128.023 121.223 -0.054 0.000 2.372 107 L HA 0.681 5.022 4.340 0.002 0.000 0.274 107 L C -0.770 176.067 176.870 -0.055 0.000 0.988 107 L CA -0.544 54.266 54.840 -0.051 0.000 0.833 107 L CB 1.665 43.687 42.059 -0.062 0.000 1.236 107 L HN 0.619 nan 8.230 nan 0.000 0.410 108 M N 6.361 125.939 119.600 -0.036 0.000 2.188 108 M HA 0.509 4.990 4.480 0.002 0.000 0.357 108 M C -0.161 176.127 176.300 -0.020 0.000 1.204 108 M CA 0.111 55.397 55.300 -0.024 0.000 1.095 108 M CB 1.161 33.757 32.600 -0.006 0.000 1.604 108 M HN 0.686 nan 8.290 nan 0.000 0.464 109 M N 1.528 121.121 119.600 -0.010 0.000 2.970 109 M HA 0.503 4.984 4.480 0.002 0.000 0.284 109 M C 0.408 176.733 176.300 0.041 0.000 1.254 109 M CA -0.955 54.349 55.300 0.006 0.000 0.744 109 M CB 1.160 33.747 32.600 -0.021 0.000 1.758 109 M HN 0.398 nan 8.290 nan 0.000 0.428 110 N N 0.309 119.037 118.700 0.046 0.000 2.420 110 N HA 0.073 4.814 4.740 0.002 0.000 0.185 110 N C 0.515 176.037 175.510 0.019 0.000 1.033 110 N CA 1.243 54.328 53.050 0.059 0.000 0.879 110 N CB 0.260 38.778 38.487 0.051 0.000 1.071 110 N HN 0.831 nan 8.380 nan 0.000 0.437 111 T N -3.055 111.498 114.554 -0.003 0.000 2.942 111 T HA 0.561 4.912 4.350 0.002 0.000 0.289 111 T C 1.280 175.966 174.700 -0.024 0.000 1.044 111 T CA -0.538 61.553 62.100 -0.016 0.000 1.023 111 T CB 2.006 70.861 68.868 -0.022 0.000 1.123 111 T HN 0.073 nan 8.240 nan 0.000 0.512 112 G N 0.231 109.017 108.800 -0.023 0.000 2.442 112 G HA2 -0.005 3.956 3.960 0.002 0.000 0.219 112 G HA3 -0.005 3.956 3.960 0.002 0.000 0.219 112 G C 1.655 176.541 174.900 -0.023 0.000 1.141 112 G CA 0.819 45.905 45.100 -0.023 0.000 0.763 112 G HN 1.112 nan 8.290 nan 0.000 0.554 113 A N 0.801 123.605 122.820 -0.026 0.000 1.902 113 A HA -0.000 4.321 4.320 0.002 0.000 0.217 113 A C 2.136 179.687 177.584 -0.056 0.000 1.181 113 A CA 1.885 53.901 52.037 -0.037 0.000 0.623 113 A CB -0.403 18.579 19.000 -0.031 0.000 0.818 113 A HN 0.443 nan 8.150 nan 0.000 0.443 114 E N -0.313 119.861 120.200 -0.043 0.000 2.118 114 E HA -0.159 4.192 4.350 0.002 0.000 0.195 114 E C 2.275 178.827 176.600 -0.080 0.000 0.992 114 E CA 1.044 57.416 56.400 -0.048 0.000 0.804 114 E CB -0.267 29.417 29.700 -0.027 0.000 0.741 114 E HN 0.637 nan 8.360 nan 0.000 0.458 115 A N 0.723 123.494 122.820 -0.081 0.000 1.898 115 A HA -0.156 4.165 4.320 0.002 0.000 0.216 115 A C 2.322 179.811 177.584 -0.158 0.000 1.181 115 A CA 1.498 53.472 52.037 -0.105 0.000 0.620 115 A CB -0.372 18.571 19.000 -0.094 0.000 0.819 115 A HN 0.123 nan 8.150 nan 0.000 0.442 116 S N 0.086 115.689 115.700 -0.163 0.000 2.351 116 S HA -0.164 4.307 4.470 0.002 0.000 0.220 116 S C 1.922 176.045 174.600 -0.796 0.000 1.035 116 S CA 1.466 59.466 58.200 -0.333 0.000 1.031 116 S CB -0.361 62.765 63.200 -0.124 0.000 0.928 116 S HN 0.598 nan 8.310 nan 0.000 0.433 117 E N 0.999 120.909 120.200 -0.483 0.000 2.077 117 E HA -0.097 4.255 4.350 0.002 0.000 0.193 117 E C 2.298 178.795 176.600 -0.173 0.000 0.989 117 E CA 1.315 57.526 56.400 -0.316 0.000 0.800 117 E CB -0.922 28.745 29.700 -0.056 0.000 0.746 117 E HN 0.480 nan 8.360 nan 0.000 0.452 118 T N 1.290 115.762 114.554 -0.136 0.000 2.821 118 T HA -0.060 4.291 4.350 0.002 0.000 0.267 118 T C 1.958 176.627 174.700 -0.052 0.000 1.046 118 T CA 1.287 63.352 62.100 -0.058 0.000 1.139 118 T CB -0.182 68.649 68.868 -0.062 0.000 0.871 118 T HN 0.274 nan 8.240 nan 0.000 0.454 119 A N 0.940 123.683 122.820 -0.129 0.000 1.902 119 A HA -0.109 4.212 4.320 0.002 0.000 0.217 119 A C 2.020 179.657 177.584 0.089 0.000 1.181 119 A CA 1.401 53.399 52.037 -0.064 0.000 0.623 119 A CB -0.985 17.954 19.000 -0.101 0.000 0.818 119 A HN 0.502 nan 8.150 nan 0.000 0.443 120 Y N 0.447 120.820 120.300 0.122 0.000 2.128 120 Y HA -0.187 4.364 4.550 0.002 0.000 0.284 120 Y C 2.321 178.272 175.900 0.085 0.000 1.154 120 Y CA 1.272 59.453 58.100 0.136 0.000 1.149 120 Y CB -0.852 37.743 38.460 0.224 0.000 0.976 120 Y HN 0.321 nan 8.280 nan 0.000 0.505 121 K N -0.461 120.079 120.400 0.233 0.000 2.057 121 K HA -0.161 4.161 4.320 0.002 0.000 0.207 121 K C 2.076 178.762 176.600 0.144 0.000 1.049 121 K CA 1.313 57.704 56.287 0.172 0.000 0.931 121 K CB -0.588 31.998 32.500 0.144 0.000 0.714 121 K HN 0.157 nan 8.250 nan 0.000 0.440 122 L N 1.314 122.605 121.223 0.114 0.000 2.017 122 L HA -0.195 4.146 4.340 0.002 0.000 0.208 122 L C 2.112 179.061 176.870 0.132 0.000 1.073 122 L CA 1.743 56.645 54.840 0.102 0.000 0.745 122 L CB -0.617 41.469 42.059 0.045 0.000 0.894 122 L HN 0.189 nan 8.230 nan 0.000 0.432 123 C N -0.171 119.199 119.300 0.116 0.000 2.432 123 C HA -0.127 4.334 4.460 0.002 0.000 0.277 123 C C 2.810 177.883 174.990 0.138 0.000 1.249 123 C CA 0.970 60.059 59.018 0.118 0.000 1.725 123 C CB -1.044 26.758 27.740 0.104 0.000 2.028 123 C HN 0.511 nan 8.230 nan 0.000 0.477 124 R N 0.684 121.215 120.500 0.052 0.000 2.092 124 R HA -0.113 4.229 4.340 0.002 0.000 0.231 124 R C 2.248 178.428 176.300 -0.200 0.000 1.119 124 R CA 1.089 57.103 56.100 -0.144 0.000 0.970 124 R CB -0.322 29.931 30.300 -0.079 0.000 0.864 124 R HN 0.545 nan 8.270 nan 0.000 0.440 125 K N -0.015 120.437 120.400 0.087 0.000 2.148 125 K HA -0.183 4.138 4.320 0.002 0.000 0.204 125 K C 1.785 178.485 176.600 0.168 0.000 1.050 125 K CA 1.145 57.545 56.287 0.189 0.000 0.942 125 K CB -0.111 32.508 32.500 0.198 0.000 0.724 125 K HN 0.209 nan 8.250 nan 0.000 0.446 126 W N 0.748 122.045 121.300 -0.005 0.000 2.402 126 W HA -0.028 4.633 4.660 0.002 0.000 0.286 126 W C 1.638 178.134 176.519 -0.039 0.000 1.221 126 W CA 1.650 58.995 57.345 -0.000 0.000 1.257 126 W CB -0.476 28.988 29.460 0.007 0.000 1.120 126 W HN 0.107 nan 8.180 nan 0.000 0.551 127 G N -0.115 108.717 108.800 0.053 0.000 2.446 127 G HA2 -0.355 3.606 3.960 0.002 0.000 0.217 127 G HA3 -0.355 3.606 3.960 0.002 0.000 0.217 127 G C 1.113 175.810 174.900 -0.338 0.000 1.168 127 G CA 1.453 46.414 45.100 -0.233 0.000 0.771 127 G HN 0.362 nan 8.290 nan 0.000 0.551 128 Y N 0.618 120.874 120.300 -0.074 0.000 2.206 128 Y HA 0.128 4.679 4.550 0.002 0.000 0.292 128 Y C 2.818 178.641 175.900 -0.128 0.000 1.123 128 Y CA 0.930 58.982 58.100 -0.080 0.000 1.142 128 Y CB -0.429 38.015 38.460 -0.027 0.000 1.006 128 Y HN 0.255 nan 8.280 nan 0.000 0.518 129 E N -0.534 119.671 120.200 0.009 0.000 2.072 129 E HA -0.097 4.254 4.350 0.002 0.000 0.190 129 E C 2.107 178.595 176.600 -0.187 0.000 0.982 129 E CA 1.462 57.830 56.400 -0.054 0.000 0.803 129 E CB -0.057 29.636 29.700 -0.011 0.000 0.755 129 E HN 0.224 nan 8.360 nan 0.000 0.453 130 V N 0.642 120.294 119.914 -0.436 0.000 2.521 130 V HA -0.069 4.052 4.120 0.002 0.000 0.239 130 V C 2.056 177.823 176.094 -0.546 0.000 1.053 130 V CA 1.043 63.012 62.300 -0.553 0.000 1.073 130 V CB -0.036 31.235 31.823 -0.921 0.000 0.746 130 V HN 0.034 nan 8.190 nan 0.000 0.476 131 K N -0.032 119.902 120.400 -0.778 0.000 2.487 131 K HA -0.017 4.304 4.320 0.002 0.000 0.192 131 K C 0.384 176.846 176.600 -0.229 0.000 1.027 131 K CA 0.206 56.199 56.287 -0.489 0.000 1.054 131 K CB 0.193 32.358 32.500 -0.558 0.000 0.824 131 K HN 0.059 nan 8.250 nan 0.000 0.510 132 K N 0.539 120.828 120.400 -0.186 0.000 3.069 132 K HA -0.205 4.116 4.320 0.002 0.000 0.267 132 K C -0.488 176.115 176.600 0.005 0.000 1.082 132 K CA 0.720 56.971 56.287 -0.060 0.000 0.782 132 K CB -2.372 30.096 32.500 -0.054 0.000 1.230 132 K HN 0.353 nan 8.250 nan 0.000 0.488 133 I N 1.739 122.322 120.570 0.021 0.000 2.752 133 I HA -0.032 4.139 4.170 0.002 0.000 0.287 133 I C -1.402 174.851 176.117 0.227 0.000 1.188 133 I CA -1.532 59.823 61.300 0.090 0.000 1.427 133 I CB 0.133 38.141 38.000 0.015 0.000 1.365 133 I HN -0.103 nan 8.210 nan 0.000 0.585 134 P HA -0.010 nan 4.420 nan 0.000 0.267 134 P C -0.756 176.624 177.300 0.133 0.000 1.201 134 P CA -0.021 63.142 63.100 0.104 0.000 0.775 134 P CB 0.349 32.090 31.700 0.067 0.000 0.854 135 E N 2.001 122.169 120.200 -0.054 0.000 2.415 135 E HA -0.028 4.323 4.350 0.002 0.000 0.262 135 E C 0.527 177.053 176.600 -0.123 0.000 1.038 135 E CA 0.005 56.231 56.400 -0.291 0.000 0.921 135 E CB -0.191 29.349 29.700 -0.266 0.000 0.950 135 E HN 0.375 nan 8.360 nan 0.000 0.438 136 N N 0.487 119.078 118.700 -0.182 0.000 2.778 136 N HA -0.196 4.545 4.740 0.002 0.000 0.249 136 N C 0.072 175.668 175.510 0.143 0.000 1.069 136 N CA 1.575 54.646 53.050 0.035 0.000 0.831 136 N CB -1.270 37.207 38.487 -0.015 0.000 1.142 136 N HN 0.542 nan 8.380 nan 0.000 0.573 137 S N -2.407 113.437 115.700 0.239 0.000 2.937 137 S HA 0.552 5.023 4.470 0.002 0.000 0.252 137 S C 0.381 175.054 174.600 0.121 0.000 1.022 137 S CA 0.163 58.453 58.200 0.150 0.000 1.079 137 S CB 0.706 63.970 63.200 0.106 0.000 1.035 137 S HN 0.499 nan 8.310 nan 0.000 0.594 138 A N 2.073 124.972 122.820 0.132 0.000 2.492 138 A HA 0.487 4.808 4.320 0.002 0.000 0.254 138 A C 0.131 177.650 177.584 -0.109 0.000 1.091 138 A CA 0.034 52.004 52.037 -0.111 0.000 0.768 138 A CB 0.150 18.855 19.000 -0.492 0.000 1.028 138 A HN 0.550 nan 8.150 nan 0.000 0.498 139 K N 1.990 122.331 120.400 -0.098 0.000 2.164 139 K HA 0.633 4.954 4.320 0.002 0.000 0.258 139 K C -1.093 175.421 176.600 -0.143 0.000 0.951 139 K CA -0.219 55.987 56.287 -0.135 0.000 0.844 139 K CB 1.877 34.339 32.500 -0.064 0.000 1.099 139 K HN 0.667 nan 8.250 nan 0.000 0.435 140 I N 3.811 124.221 120.570 -0.268 0.000 2.404 140 I HA 0.343 4.514 4.170 0.002 0.000 0.293 140 I C -0.276 175.856 176.117 0.027 0.000 0.992 140 I CA -0.844 60.370 61.300 -0.145 0.000 1.149 140 I CB 1.489 39.315 38.000 -0.290 0.000 1.315 140 I HN 0.381 nan 8.210 nan 0.000 0.446 141 I N 6.741 127.428 120.570 0.195 0.000 2.365 141 I HA 0.370 4.541 4.170 0.002 0.000 0.291 141 I C -0.053 176.362 176.117 0.496 0.000 1.004 141 I CA -0.566 60.921 61.300 0.311 0.000 1.311 141 I CB 1.286 39.449 38.000 0.271 0.000 1.401 141 I HN 0.321 nan 8.210 nan 0.000 0.491 142 V N 2.787 122.965 119.914 0.441 0.000 3.126 142 V HA 0.567 4.688 4.120 0.002 0.000 0.314 142 V C -0.224 176.119 176.094 0.415 0.000 1.138 142 V CA -0.940 61.623 62.300 0.438 0.000 1.034 142 V CB 1.577 33.629 31.823 0.382 0.000 1.075 142 V HN 0.784 nan 8.190 nan 0.000 0.442 143 C N 1.501 121.041 119.300 0.400 0.000 2.443 143 C HA 0.380 4.841 4.460 0.002 0.000 0.369 143 C C 1.982 177.112 174.990 0.233 0.000 1.241 143 C CA -0.123 59.111 59.018 0.360 0.000 2.413 143 C CB 0.553 28.562 27.740 0.449 0.000 2.451 143 C HN 1.042 nan 8.230 nan 0.000 0.595 144 N N 1.279 120.091 118.700 0.187 0.000 2.062 144 N HA -0.067 4.674 4.740 0.002 0.000 0.191 144 N C 1.211 176.767 175.510 0.077 0.000 1.042 144 N CA 1.544 54.663 53.050 0.116 0.000 0.845 144 N CB -0.134 38.411 38.487 0.097 0.000 1.024 144 N HN 0.608 nan 8.380 nan 0.000 0.424 145 N N 0.261 119.004 118.700 0.071 0.000 2.373 145 N HA -0.006 4.735 4.740 0.002 0.000 0.181 145 N C 0.879 176.426 175.510 0.062 0.000 1.082 145 N CA 0.262 53.337 53.050 0.041 0.000 0.885 145 N CB 0.250 38.749 38.487 0.021 0.000 0.977 145 N HN 0.411 nan 8.380 nan 0.000 0.462 146 N N -1.151 117.596 118.700 0.079 0.000 2.905 146 N HA 0.125 4.866 4.740 0.002 0.000 0.237 146 N C -0.221 175.378 175.510 0.148 0.000 1.017 146 N CA -0.071 53.039 53.050 0.101 0.000 1.127 146 N CB 0.233 38.753 38.487 0.054 0.000 1.608 146 N HN -0.118 nan 8.380 nan 0.000 0.522 171 V N 6.919 126.285 119.914 -0.914 0.000 2.711 171 V HA 0.618 4.739 4.120 0.002 0.000 0.304 171 V C -2.586 173.095 176.094 -0.687 0.000 1.097 171 V CA -2.050 59.889 62.300 -0.602 0.000 0.906 171 V CB 2.303 33.947 31.823 -0.298 0.000 1.015 171 V HN 0.623 nan 8.190 nan 0.000 0.427 172 P HA 0.167 nan 4.420 nan 0.000 0.263 172 P C 0.220 177.444 177.300 -0.125 0.000 1.175 172 P CA 0.730 63.717 63.100 -0.189 0.000 0.761 172 P CB 0.161 31.869 31.700 0.014 0.000 0.794 173 N N -0.129 118.497 118.700 -0.124 0.000 2.708 173 N HA -0.209 4.532 4.740 0.002 0.000 0.251 173 N C -0.884 174.361 175.510 -0.441 0.000 1.123 173 N CA 1.081 54.007 53.050 -0.207 0.000 0.739 173 N CB -1.757 36.604 38.487 -0.211 0.000 1.113 173 N HN 0.363 nan 8.380 nan 0.000 0.561 174 F N 0.859 120.692 119.950 -0.195 0.000 2.347 174 F HA 0.439 4.968 4.527 0.002 0.000 0.366 174 F C 0.718 176.456 175.800 -0.104 0.000 1.107 174 F CA -0.654 57.246 58.000 -0.167 0.000 1.058 174 F CB 0.945 39.799 39.000 -0.243 0.000 1.236 174 F HN -0.186 nan 8.300 nan 0.000 0.456 175 L N 4.973 126.257 121.223 0.103 0.000 2.290 175 L HA 0.401 4.742 4.340 0.002 0.000 0.284 175 L C -0.126 176.830 176.870 0.144 0.000 1.078 175 L CA -0.547 54.355 54.840 0.102 0.000 0.815 175 L CB 0.868 42.964 42.059 0.062 0.000 1.162 175 L HN 0.484 nan 8.230 nan 0.000 0.435 176 K N 3.727 124.203 120.400 0.127 0.000 2.265 176 K HA 0.550 4.871 4.320 0.002 0.000 0.267 176 K C -0.686 175.982 176.600 0.114 0.000 0.994 176 K CA -0.539 55.830 56.287 0.136 0.000 0.860 176 K CB 2.253 34.819 32.500 0.111 0.000 1.099 176 K HN 0.457 nan 8.250 nan 0.000 0.448 177 V N 0.543 120.540 119.914 0.138 0.000 2.960 177 V HA 0.599 4.720 4.120 0.002 0.000 0.315 177 V C -2.759 173.412 176.094 0.128 0.000 1.087 177 V CA -3.058 59.299 62.300 0.095 0.000 0.982 177 V CB 1.596 33.443 31.823 0.040 0.000 1.039 177 V HN 0.509 nan 8.190 nan 0.000 0.437 178 P HA 0.193 nan 4.420 nan 0.000 0.271 178 P C -1.080 176.291 177.300 0.119 0.000 1.218 178 P CA 0.115 63.270 63.100 0.092 0.000 0.780 178 P CB 0.092 31.813 31.700 0.035 0.000 0.901 179 Y N 2.353 122.651 120.300 -0.004 0.000 2.480 179 Y HA 0.031 4.582 4.550 0.002 0.000 0.338 179 Y C 1.351 177.052 175.900 -0.332 0.000 1.220 179 Y CA 0.991 59.040 58.100 -0.085 0.000 1.430 179 Y CB -0.025 38.408 38.460 -0.045 0.000 1.311 179 Y HN 0.535 nan 8.280 nan 0.000 0.575 180 D N 2.390 121.918 120.400 -1.454 0.000 2.945 180 D HA -0.237 4.404 4.640 0.002 0.000 0.225 180 D C -1.300 174.567 176.300 -0.722 0.000 1.158 180 D CA 1.321 54.307 54.000 -1.689 0.000 0.805 180 D CB -1.220 39.055 40.800 -0.876 0.000 1.098 180 D HN 0.608 nan 8.370 nan 0.000 0.426 181 D N 0.230 120.403 120.400 -0.378 0.000 2.432 181 D HA 0.221 4.862 4.640 0.002 0.000 0.265 181 D C 1.657 177.953 176.300 -0.008 0.000 1.160 181 D CA -0.532 53.396 54.000 -0.120 0.000 0.911 181 D CB 0.062 40.810 40.800 -0.085 0.000 1.052 181 D HN 0.189 nan 8.370 nan 0.000 0.508 182 L N 1.996 123.238 121.223 0.031 0.000 2.191 182 L HA -0.133 4.208 4.340 0.002 0.000 0.212 182 L C 2.013 178.834 176.870 -0.082 0.000 1.103 182 L CA 1.069 55.892 54.840 -0.029 0.000 0.769 182 L CB -0.020 42.016 42.059 -0.040 0.000 0.908 182 L HN 0.400 nan 8.230 nan 0.000 0.438 183 E N 0.327 120.490 120.200 -0.062 0.000 2.015 183 E HA -0.195 4.156 4.350 0.002 0.000 0.191 183 E C 2.348 178.898 176.600 -0.083 0.000 0.991 183 E CA 1.153 57.514 56.400 -0.065 0.000 0.802 183 E CB -0.265 29.408 29.700 -0.046 0.000 0.759 183 E HN 0.476 nan 8.360 nan 0.000 0.447 184 A N 1.336 124.111 122.820 -0.074 0.000 2.024 184 A HA -0.169 4.152 4.320 0.002 0.000 0.220 184 A C 2.149 179.659 177.584 -0.124 0.000 1.164 184 A CA 1.017 53.008 52.037 -0.076 0.000 0.643 184 A CB -0.463 18.509 19.000 -0.047 0.000 0.806 184 A HN 0.200 nan 8.150 nan 0.000 0.451 185 L N 0.012 121.132 121.223 -0.173 0.000 1.973 185 L HA -0.095 4.246 4.340 0.002 0.000 0.208 185 L C 2.276 178.951 176.870 -0.324 0.000 1.073 185 L CA 2.683 57.341 54.840 -0.304 0.000 0.746 185 L CB -0.890 40.919 42.059 -0.416 0.000 0.891 185 L HN 0.570 nan 8.230 nan 0.000 0.433 186 E N -0.456 119.571 120.200 -0.288 0.000 2.130 186 E HA -0.323 4.029 4.350 0.002 0.000 0.196 186 E C 2.251 178.658 176.600 -0.322 0.000 0.998 186 E CA 1.505 57.699 56.400 -0.343 0.000 0.806 186 E CB -0.151 29.437 29.700 -0.187 0.000 0.738 186 E HN 0.478 nan 8.360 nan 0.000 0.459 187 K N 0.063 120.345 120.400 -0.197 0.000 2.103 187 K HA -0.186 4.135 4.320 0.002 0.000 0.207 187 K C 1.868 178.375 176.600 -0.154 0.000 1.048 187 K CA 1.476 57.680 56.287 -0.139 0.000 0.930 187 K CB 0.126 32.573 32.500 -0.088 0.000 0.716 187 K HN 0.127 nan 8.250 nan 0.000 0.444 188 E N 0.412 120.502 120.200 -0.184 0.000 2.190 188 E HA -0.053 4.298 4.350 0.002 0.000 0.191 188 E C 2.019 178.498 176.600 -0.202 0.000 0.978 188 E CA 0.350 56.658 56.400 -0.152 0.000 0.839 188 E CB 0.062 29.689 29.700 -0.122 0.000 0.787 188 E HN 0.340 nan 8.360 nan 0.000 0.473 189 L N 1.491 122.505 121.223 -0.347 0.000 2.261 189 L HA -0.212 4.129 4.340 0.002 0.000 0.216 189 L C 2.420 179.033 176.870 -0.428 0.000 1.114 189 L CA 0.754 55.319 54.840 -0.458 0.000 0.777 189 L CB -0.350 41.230 42.059 -0.800 0.000 0.910 189 L HN 0.080 nan 8.230 nan 0.000 0.440 190 Q N -0.234 119.361 119.800 -0.342 0.000 2.061 190 Q HA -0.177 4.164 4.340 0.002 0.000 0.204 190 Q C 0.792 176.794 176.000 0.003 0.000 0.984 190 Q CA 0.874 56.624 55.803 -0.088 0.000 0.846 190 Q CB -0.763 27.953 28.738 -0.038 0.000 0.902 190 Q HN 0.394 nan 8.270 nan 0.000 0.421 191 D N 2.037 122.420 120.400 -0.029 0.000 2.502 191 D HA -0.062 4.579 4.640 0.002 0.000 0.249 191 D C -1.444 174.875 176.300 0.031 0.000 1.188 191 D CA -1.039 52.964 54.000 0.005 0.000 0.890 191 D CB 0.950 41.746 40.800 -0.006 0.000 1.140 191 D HN 0.032 nan 8.370 nan 0.000 0.505 192 P HA -0.082 nan 4.420 nan 0.000 0.226 192 P C 0.343 177.673 177.300 0.050 0.000 1.153 192 P CA 0.482 63.618 63.100 0.061 0.000 0.777 192 P CB 0.411 32.141 31.700 0.051 0.000 0.794 193 N N -0.178 118.544 118.700 0.037 0.000 2.383 193 N HA 0.043 4.784 4.740 0.002 0.000 0.192 193 N C 0.157 175.677 175.510 0.017 0.000 1.141 193 N CA 0.128 53.196 53.050 0.029 0.000 0.851 193 N CB 0.142 38.648 38.487 0.032 0.000 0.976 193 N HN 0.079 nan 8.380 nan 0.000 0.465 194 V N 1.668 121.602 119.914 0.033 0.000 2.461 194 V HA 0.038 4.159 4.120 0.002 0.000 0.275 194 V C 1.508 177.661 176.094 0.098 0.000 1.047 194 V CA -0.483 61.840 62.300 0.039 0.000 0.955 194 V CB 1.127 32.967 31.823 0.028 0.000 0.988 194 V HN 0.407 nan 8.190 nan 0.000 0.471 195 C N 2.337 121.698 119.300 0.102 0.000 2.820 195 C HA 0.799 5.260 4.460 0.002 0.000 0.323 195 C C 0.806 175.915 174.990 0.199 0.000 1.279 195 C CA 0.158 59.319 59.018 0.239 0.000 1.790 195 C CB -0.597 27.248 27.740 0.176 0.000 2.328 195 C HN 0.963 nan 8.230 nan 0.000 0.579 196 A N -0.207 122.691 122.820 0.130 0.000 2.612 196 A HA 0.680 5.001 4.320 0.002 0.000 0.293 196 A C -1.797 175.934 177.584 0.245 0.000 1.075 196 A CA -0.164 51.954 52.037 0.136 0.000 0.680 196 A CB 0.787 19.837 19.000 0.085 0.000 1.279 196 A HN 0.500 nan 8.150 nan 0.000 0.411 197 F N 2.065 122.073 119.950 0.097 0.000 2.427 197 F HA 0.718 5.246 4.527 0.002 0.000 0.348 197 F C -0.986 174.929 175.800 0.191 0.000 1.125 197 F CA -1.525 56.554 58.000 0.131 0.000 0.989 197 F CB 0.826 39.881 39.000 0.090 0.000 1.165 197 F HN 0.408 nan 8.300 nan 0.000 0.442 198 I N 7.410 127.925 120.570 -0.092 0.000 2.339 198 I HA 0.575 4.746 4.170 0.002 0.000 0.290 198 I C -0.873 175.002 176.117 -0.404 0.000 0.994 198 I CA -0.996 60.201 61.300 -0.171 0.000 1.191 198 I CB 1.563 39.634 38.000 0.119 0.000 1.343 198 I HN 0.414 nan 8.210 nan 0.000 0.458 199 V N 6.236 125.903 119.914 -0.412 0.000 3.048 199 V HA 0.377 4.499 4.120 0.002 0.000 0.303 199 V C -0.977 175.116 176.094 -0.002 0.000 1.214 199 V CA -0.387 61.768 62.300 -0.242 0.000 0.984 199 V CB 2.777 34.359 31.823 -0.402 0.000 1.054 199 V HN 0.738 nan 8.190 nan 0.000 0.430 200 E N 5.529 125.816 120.200 0.145 0.000 2.216 200 E HA 0.345 4.696 4.350 0.002 0.000 0.279 200 E C -1.939 174.940 176.600 0.465 0.000 0.997 200 E CA -1.733 54.763 56.400 0.160 0.000 0.817 200 E CB 2.204 31.940 29.700 0.061 0.000 1.096 200 E HN 0.508 nan 8.360 nan 0.000 0.393 201 P HA -0.127 nan 4.420 nan 0.000 0.217 201 P C 0.143 177.715 177.300 0.453 0.000 1.150 201 P CA 0.856 64.059 63.100 0.172 0.000 0.832 201 P CB 0.257 31.941 31.700 -0.028 0.000 0.787 202 V N -1.817 118.282 119.914 0.308 0.000 2.760 202 V HA 0.335 4.456 4.120 0.002 0.000 0.309 202 V C -1.126 175.019 176.094 0.086 0.000 1.077 202 V CA -0.989 61.470 62.300 0.265 0.000 0.910 202 V CB 1.975 33.928 31.823 0.216 0.000 1.008 202 V HN -0.186 nan 8.190 nan 0.000 0.424 203 Q N 3.689 123.426 119.800 -0.104 0.000 2.286 203 Q HA 0.314 4.656 4.340 0.002 0.000 0.267 203 Q C 1.046 177.021 176.000 -0.042 0.000 1.028 203 Q CA 0.624 56.318 55.803 -0.181 0.000 0.901 203 Q CB 1.716 30.186 28.738 -0.447 0.000 1.183 203 Q HN 1.062 nan 8.270 nan 0.000 0.392 204 G N 2.240 111.045 108.800 0.009 0.000 2.557 204 G HA2 -0.213 3.748 3.960 0.002 0.000 0.213 204 G HA3 -0.213 3.748 3.960 0.002 0.000 0.213 204 G C 1.124 176.049 174.900 0.041 0.000 1.221 204 G CA 0.214 45.338 45.100 0.040 0.000 0.832 204 G HN 0.606 nan 8.290 nan 0.000 0.556 205 E N 1.072 121.294 120.200 0.036 0.000 2.209 205 E HA -0.005 4.346 4.350 0.002 0.000 0.196 205 E C 2.392 179.043 176.600 0.085 0.000 0.993 205 E CA 1.281 57.690 56.400 0.015 0.000 0.819 205 E CB -0.418 29.295 29.700 0.022 0.000 0.745 205 E HN 0.305 nan 8.360 nan 0.000 0.477 206 A N -0.672 122.213 122.820 0.107 0.000 2.206 206 A HA 0.317 4.638 4.320 0.002 0.000 0.211 206 A C 1.520 179.195 177.584 0.152 0.000 1.158 206 A CA 0.903 53.033 52.037 0.155 0.000 0.761 206 A CB -0.404 18.616 19.000 0.033 0.000 0.801 206 A HN 0.489 nan 8.150 nan 0.000 0.473 207 G N -1.663 107.200 108.800 0.104 0.000 2.245 207 G HA2 0.102 4.063 3.960 0.002 0.000 0.130 207 G HA3 0.102 4.063 3.960 0.002 0.000 0.130 207 G C 0.273 175.215 174.900 0.068 0.000 1.040 207 G CA -0.244 44.917 45.100 0.101 0.000 0.713 207 G HN 1.380 nan 8.290 nan 0.000 0.488 208 V N -0.439 119.507 119.914 0.053 0.000 6.104 208 V HA -0.230 3.891 4.120 0.002 0.000 0.260 208 V C 0.606 176.727 176.094 0.046 0.000 0.610 208 V CA 0.947 63.278 62.300 0.051 0.000 0.645 208 V CB -1.502 30.360 31.823 0.065 0.000 0.494 208 V HN 0.731 nan 8.190 nan 0.000 0.545 209 I N 2.546 123.123 120.570 0.012 0.000 2.301 209 I HA 0.339 4.510 4.170 0.002 0.000 0.292 209 I C 0.476 176.668 176.117 0.126 0.000 1.046 209 I CA -0.305 61.013 61.300 0.030 0.000 1.282 209 I CB 1.189 39.156 38.000 -0.054 0.000 1.409 209 I HN 0.212 nan 8.210 nan 0.000 0.484 210 V N 9.374 129.391 119.914 0.171 0.000 2.546 210 V HA 0.292 4.413 4.120 0.002 0.000 0.284 210 V C -1.847 174.413 176.094 0.276 0.000 1.050 210 V CA -1.222 61.221 62.300 0.239 0.000 0.981 210 V CB 0.978 32.899 31.823 0.164 0.000 0.990 210 V HN 0.614 nan 8.190 nan 0.000 0.474 211 P HA 0.276 nan 4.420 nan 0.000 0.281 211 P C -0.345 176.981 177.300 0.042 0.000 1.249 211 P CA -0.496 62.674 63.100 0.117 0.000 0.810 211 P CB 0.627 32.426 31.700 0.165 0.000 1.008 212 S N 0.338 116.010 115.700 -0.046 0.000 2.558 212 S HA -0.003 4.468 4.470 0.002 0.000 0.288 212 S C 0.775 175.376 174.600 0.003 0.000 1.318 212 S CA -0.208 57.984 58.200 -0.013 0.000 1.056 212 S CB 0.009 63.185 63.200 -0.039 0.000 0.853 212 S HN 0.368 nan 8.310 nan 0.000 0.505 213 D N 1.930 122.348 120.400 0.029 0.000 2.228 213 D HA -0.121 4.520 4.640 0.002 0.000 0.203 213 D C 2.135 178.450 176.300 0.025 0.000 0.988 213 D CA 1.768 55.797 54.000 0.048 0.000 0.864 213 D CB -0.445 40.405 40.800 0.083 0.000 0.928 213 D HN 0.786 nan 8.370 nan 0.000 0.469 214 S N -0.560 115.151 115.700 0.018 0.000 2.436 214 S HA -0.166 4.305 4.470 0.002 0.000 0.228 214 S C 2.050 176.645 174.600 -0.009 0.000 1.014 214 S CA 0.120 58.326 58.200 0.009 0.000 0.950 214 S CB -0.525 62.678 63.200 0.005 0.000 0.784 214 S HN 0.234 nan 8.310 nan 0.000 0.504 215 Y N 1.966 122.151 120.300 -0.191 0.000 2.053 215 Y HA -0.126 4.425 4.550 0.002 0.000 0.277 215 Y C 1.818 177.502 175.900 -0.360 0.000 1.159 215 Y CA 1.333 59.240 58.100 -0.320 0.000 1.125 215 Y CB -0.957 37.231 38.460 -0.455 0.000 0.969 215 Y HN 0.280 nan 8.280 nan 0.000 0.492 216 F N -0.226 119.496 119.950 -0.380 0.000 2.146 216 F HA -0.076 4.452 4.527 0.002 0.000 0.298 216 F C -0.466 175.179 175.800 -0.260 0.000 1.096 216 F CA 1.439 59.205 58.000 -0.390 0.000 1.275 216 F CB -1.803 37.090 39.000 -0.179 0.000 1.008 216 F HN 0.130 nan 8.300 nan 0.000 0.480 217 P HA -0.156 nan 4.420 nan 0.000 0.216 217 P C 1.712 178.955 177.300 -0.095 0.000 1.150 217 P CA 2.038 65.141 63.100 0.005 0.000 0.843 217 P CB -0.338 31.380 31.700 0.030 0.000 0.787 218 G N -1.055 107.642 108.800 -0.171 0.000 2.464 218 G HA2 -0.118 3.843 3.960 0.002 0.000 0.217 218 G HA3 -0.118 3.843 3.960 0.002 0.000 0.217 218 G C 1.569 176.278 174.900 -0.319 0.000 1.138 218 G CA 0.189 45.167 45.100 -0.203 0.000 0.793 218 G HN 0.152 nan 8.290 nan 0.000 0.539 219 V N 1.526 121.126 119.914 -0.523 0.000 2.307 219 V HA -0.107 4.014 4.120 0.002 0.000 0.245 219 V C 3.304 179.071 176.094 -0.545 0.000 1.045 219 V CA 1.942 63.855 62.300 -0.646 0.000 1.024 219 V CB -0.687 30.566 31.823 -0.950 0.000 0.651 219 V HN 0.429 nan 8.190 nan 0.000 0.449 220 A N -0.796 121.723 122.820 -0.501 0.000 1.940 220 A HA -0.231 4.090 4.320 0.002 0.000 0.219 220 A C 2.485 180.004 177.584 -0.108 0.000 1.176 220 A CA 2.447 54.319 52.037 -0.274 0.000 0.631 220 A CB -0.595 18.379 19.000 -0.042 0.000 0.814 220 A HN 0.501 nan 8.150 nan 0.000 0.446 221 S N -0.431 115.204 115.700 -0.109 0.000 2.336 221 S HA 0.004 4.475 4.470 0.002 0.000 0.216 221 S C 1.829 176.419 174.600 -0.017 0.000 1.032 221 S CA 1.143 59.316 58.200 -0.047 0.000 0.973 221 S CB -0.453 62.719 63.200 -0.046 0.000 0.888 221 S HN 0.515 nan 8.310 nan 0.000 0.455 222 L N 0.809 122.007 121.223 -0.043 0.000 2.137 222 L HA -0.234 4.107 4.340 0.002 0.000 0.213 222 L C 2.508 179.448 176.870 0.118 0.000 1.085 222 L CA 0.921 55.793 54.840 0.052 0.000 0.760 222 L CB -0.787 41.216 42.059 -0.093 0.000 0.893 222 L HN 0.456 nan 8.230 nan 0.000 0.434 223 C N -0.491 118.815 119.300 0.010 0.000 2.518 223 C HA -0.132 4.329 4.460 0.002 0.000 0.279 223 C C 2.907 177.967 174.990 0.116 0.000 1.279 223 C CA 0.704 59.766 59.018 0.073 0.000 1.703 223 C CB -0.505 27.275 27.740 0.067 0.000 2.072 223 C HN 0.481 nan 8.230 nan 0.000 0.487 224 K N 1.486 121.935 120.400 0.082 0.000 2.152 224 K HA -0.224 4.097 4.320 0.002 0.000 0.206 224 K C 2.122 178.759 176.600 0.063 0.000 1.048 224 K CA 1.618 57.953 56.287 0.080 0.000 0.933 224 K CB -0.241 32.294 32.500 0.059 0.000 0.721 224 K HN 0.489 nan 8.250 nan 0.000 0.447 225 K N -0.261 120.168 120.400 0.048 0.000 2.001 225 K HA -0.156 4.165 4.320 0.002 0.000 0.208 225 K C 1.186 177.725 176.600 -0.102 0.000 1.048 225 K CA 1.402 57.661 56.287 -0.046 0.000 0.932 225 K CB -0.139 32.309 32.500 -0.086 0.000 0.715 225 K HN 0.212 nan 8.250 nan 0.000 0.437 226 Y N 1.132 121.441 120.300 0.015 0.000 2.462 226 Y HA 0.074 4.625 4.550 0.002 0.000 0.293 226 Y C 0.030 175.974 175.900 0.073 0.000 1.195 226 Y CA 0.077 58.194 58.100 0.029 0.000 1.276 226 Y CB -0.166 38.299 38.460 0.008 0.000 1.082 226 Y HN 0.296 nan 8.280 nan 0.000 0.514 227 N N 0.598 119.412 118.700 0.191 0.000 2.671 227 N HA -0.179 4.562 4.740 0.002 0.000 0.261 227 N C -1.832 173.866 175.510 0.315 0.000 1.053 227 N CA 0.397 53.587 53.050 0.234 0.000 0.732 227 N CB -1.177 37.438 38.487 0.214 0.000 0.887 227 N HN 0.057 nan 8.380 nan 0.000 0.546 228 V N 2.418 122.468 119.914 0.226 0.000 2.709 228 V HA 0.403 4.524 4.120 0.002 0.000 0.308 228 V C 0.611 176.730 176.094 0.043 0.000 1.062 228 V CA -0.951 61.456 62.300 0.178 0.000 0.901 228 V CB 1.971 33.894 31.823 0.165 0.000 1.003 228 V HN 0.261 nan 8.190 nan 0.000 0.425 229 L N 4.900 126.034 121.223 -0.148 0.000 2.534 229 L HA 0.150 4.491 4.340 0.002 0.000 0.271 229 L C -0.281 176.641 176.870 0.087 0.000 1.178 229 L CA 0.189 54.901 54.840 -0.213 0.000 0.907 229 L CB -0.006 41.800 42.059 -0.421 0.000 1.164 229 L HN 0.606 nan 8.230 nan 0.000 0.482 230 F N 5.998 125.926 119.950 -0.036 0.000 2.377 230 F HA 0.353 4.881 4.527 0.002 0.000 0.360 230 F C -0.303 175.488 175.800 -0.015 0.000 1.147 230 F CA -1.070 56.954 58.000 0.041 0.000 1.170 230 F CB 0.407 39.456 39.000 0.080 0.000 1.339 230 F HN 0.006 nan 8.300 nan 0.000 0.552 231 V N 6.468 126.376 119.914 -0.010 0.000 2.364 231 V HA 0.606 4.727 4.120 0.002 0.000 0.272 231 V C 0.382 176.313 176.094 -0.272 0.000 1.036 231 V CA -0.681 61.487 62.300 -0.220 0.000 0.880 231 V CB 0.585 32.337 31.823 -0.119 0.000 0.991 231 V HN 0.909 nan 8.190 nan 0.000 0.460 232 A N 3.470 126.045 122.820 -0.409 0.000 2.252 232 A HA 0.482 4.803 4.320 0.002 0.000 0.309 232 A C -0.066 177.358 177.584 -0.267 0.000 1.285 232 A CA -0.430 51.436 52.037 -0.285 0.000 0.900 232 A CB 0.356 19.155 19.000 -0.334 0.000 1.157 232 A HN 0.781 nan 8.150 nan 0.000 0.536 233 D N 2.599 122.842 120.400 -0.263 0.000 2.374 233 D HA 0.121 4.762 4.640 0.002 0.000 0.240 233 D C 0.253 176.435 176.300 -0.197 0.000 1.229 233 D CA 0.210 54.031 54.000 -0.299 0.000 0.895 233 D CB 0.566 41.059 40.800 -0.512 0.000 1.046 233 D HN 0.535 nan 8.370 nan 0.000 0.498 234 E N 2.922 123.011 120.200 -0.185 0.000 2.569 234 E HA 0.049 4.401 4.350 0.002 0.000 0.205 234 E C 1.599 178.132 176.600 -0.111 0.000 1.006 234 E CA -0.060 56.258 56.400 -0.137 0.000 0.985 234 E CB 0.949 30.553 29.700 -0.161 0.000 1.060 234 E HN 0.337 nan 8.360 nan 0.000 0.460 235 V N 1.180 121.029 119.914 -0.107 0.000 2.392 235 V HA -0.269 3.852 4.120 0.002 0.000 0.249 235 V C 2.219 178.292 176.094 -0.035 0.000 1.059 235 V CA 1.725 63.981 62.300 -0.072 0.000 1.051 235 V CB -0.185 31.605 31.823 -0.055 0.000 0.658 235 V HN 0.292 nan 8.190 nan 0.000 0.455 236 Q N -0.411 119.376 119.800 -0.020 0.000 2.324 236 Q HA -0.018 4.323 4.340 0.002 0.000 0.207 236 Q C 2.410 178.412 176.000 0.004 0.000 0.928 236 Q CA 1.555 57.364 55.803 0.009 0.000 0.890 236 Q CB -0.337 28.421 28.738 0.033 0.000 1.001 236 Q HN 0.797 nan 8.270 nan 0.000 0.517 237 T N -1.663 112.888 114.554 -0.005 0.000 3.067 237 T HA 0.132 4.483 4.350 0.002 0.000 0.261 237 T C 1.110 175.804 174.700 -0.011 0.000 1.110 237 T CA 0.516 62.619 62.100 0.005 0.000 1.113 237 T CB -0.087 68.789 68.868 0.014 0.000 0.917 237 T HN 0.153 nan 8.240 nan 0.000 0.499 238 G N 0.938 109.721 108.800 -0.029 0.000 2.535 238 G HA2 0.501 4.462 3.960 0.002 0.000 0.282 238 G HA3 0.501 4.462 3.960 0.002 0.000 0.282 238 G C -0.047 174.852 174.900 -0.001 0.000 1.350 238 G CA -0.951 44.135 45.100 -0.024 0.000 1.039 238 G HN 0.641 nan 8.290 nan 0.000 0.509 239 L N -0.599 120.645 121.223 0.036 0.000 3.634 239 L HA -0.267 4.074 4.340 0.002 0.000 0.423 239 L C 1.688 178.556 176.870 -0.004 0.000 1.253 239 L CA 0.554 55.419 54.840 0.040 0.000 0.885 239 L CB -1.817 40.267 42.059 0.042 0.000 1.789 239 L HN 1.771 nan 8.230 nan 0.000 0.904 240 G N -0.771 108.017 108.800 -0.020 0.000 2.258 240 G HA2 -0.405 3.557 3.960 0.002 0.000 0.233 240 G HA3 -0.405 3.557 3.960 0.002 0.000 0.233 240 G C 0.815 175.703 174.900 -0.021 0.000 1.006 240 G CA 0.718 45.800 45.100 -0.030 0.000 0.620 240 G HN 0.432 nan 8.290 nan 0.000 0.511 241 R N 1.567 122.057 120.500 -0.018 0.000 2.119 241 R HA -0.096 4.245 4.340 0.002 0.000 0.246 241 R C 2.561 178.867 176.300 0.011 0.000 1.146 241 R CA 3.158 59.248 56.100 -0.017 0.000 0.962 241 R CB -1.004 29.288 30.300 -0.012 0.000 0.863 241 R HN 0.875 nan 8.270 nan 0.000 0.442 242 T N -4.364 110.220 114.554 0.050 0.000 3.134 242 T HA 0.405 4.756 4.350 0.002 0.000 0.260 242 T C 1.094 175.923 174.700 0.216 0.000 1.027 242 T CA 0.260 62.434 62.100 0.124 0.000 0.913 242 T CB 0.595 69.572 68.868 0.181 0.000 1.046 242 T HN 0.431 nan 8.240 nan 0.000 0.553 243 G N 1.034 109.897 108.800 0.105 0.000 2.259 243 G HA2 -0.148 3.813 3.960 0.002 0.000 0.217 243 G HA3 -0.148 3.813 3.960 0.002 0.000 0.217 243 G C -0.086 174.811 174.900 -0.005 0.000 1.001 243 G CA -0.275 44.882 45.100 0.094 0.000 0.627 243 G HN 0.588 nan 8.290 nan 0.000 0.501 244 K N -0.190 120.152 120.400 -0.098 0.000 2.350 244 K HA 0.700 5.021 4.320 0.002 0.000 0.241 244 K C 1.329 177.841 176.600 -0.147 0.000 0.994 244 K CA -0.931 55.230 56.287 -0.210 0.000 0.839 244 K CB 1.374 33.625 32.500 -0.414 0.000 1.244 244 K HN 0.038 nan 8.250 nan 0.000 0.443 245 L N 0.375 121.499 121.223 -0.166 0.000 2.079 245 L HA -0.048 4.293 4.340 0.002 0.000 0.210 245 L C 0.366 177.266 176.870 0.050 0.000 1.081 245 L CA 1.373 56.175 54.840 -0.063 0.000 0.752 245 L CB 0.003 41.964 42.059 -0.163 0.000 0.896 245 L HN 0.257 nan 8.230 nan 0.000 0.433 246 L N -2.032 119.173 121.223 -0.030 0.000 2.381 246 L HA 0.156 4.498 4.340 0.002 0.000 0.274 246 L C 0.838 177.623 176.870 -0.142 0.000 0.988 246 L CA -0.601 54.224 54.840 -0.026 0.000 0.824 246 L CB 2.256 44.341 42.059 0.043 0.000 1.263 246 L HN -0.031 nan 8.230 nan 0.000 0.410 247 C N 1.002 120.215 119.300 -0.146 0.000 2.411 247 C HA -0.175 4.286 4.460 0.002 0.000 0.279 247 C C 2.637 177.395 174.990 -0.387 0.000 1.288 247 C CA 1.848 60.746 59.018 -0.200 0.000 1.764 247 C CB -0.676 27.027 27.740 -0.062 0.000 1.974 247 C HN 1.000 nan 8.230 nan 0.000 0.498 248 T N -2.773 111.609 114.554 -0.287 0.000 2.897 248 T HA -0.262 4.089 4.350 0.002 0.000 0.271 248 T C 1.476 176.049 174.700 -0.211 0.000 1.084 248 T CA 1.962 63.903 62.100 -0.266 0.000 1.123 248 T CB -0.955 67.871 68.868 -0.070 0.000 0.865 248 T HN 0.816 nan 8.240 nan 0.000 0.496 249 H N 0.598 119.499 119.070 -0.282 0.000 2.543 249 H HA -0.054 4.503 4.556 0.002 0.000 0.286 249 H C 2.061 177.223 175.328 -0.276 0.000 1.037 249 H CA 1.170 57.078 56.048 -0.234 0.000 1.250 249 H CB -0.232 29.388 29.762 -0.236 0.000 1.373 249 H HN 0.456 nan 8.280 nan 0.000 0.580 250 H N -1.132 117.739 119.070 -0.331 0.000 2.436 250 H HA -0.077 4.481 4.556 0.002 0.000 0.294 250 H C 0.831 176.035 175.328 -0.207 0.000 1.048 250 H CA 1.325 57.166 56.048 -0.344 0.000 1.353 250 H CB -0.041 29.398 29.762 -0.538 0.000 1.414 250 H HN 0.626 nan 8.280 nan 0.000 0.536 251 Y N -0.668 119.691 120.300 0.098 0.000 2.457 251 Y HA 0.236 4.787 4.550 0.002 0.000 0.263 251 Y C 1.684 177.608 175.900 0.039 0.000 1.164 251 Y CA -0.065 58.091 58.100 0.092 0.000 1.274 251 Y CB 0.584 39.130 38.460 0.142 0.000 1.097 251 Y HN 0.139 nan 8.280 nan 0.000 0.523 252 G N 1.759 110.574 108.800 0.025 0.000 2.283 252 G HA2 -0.283 3.678 3.960 0.002 0.000 0.280 252 G HA3 -0.283 3.678 3.960 0.002 0.000 0.280 252 G C 0.010 174.939 174.900 0.048 0.000 1.029 252 G CA 0.502 45.574 45.100 -0.046 0.000 0.840 252 G HN 0.377 nan 8.290 nan 0.000 0.505 253 V N -3.741 116.252 119.914 0.131 0.000 2.881 253 V HA 0.914 5.035 4.120 0.002 0.000 0.316 253 V C 0.045 176.252 176.094 0.188 0.000 1.070 253 V CA -1.328 61.096 62.300 0.206 0.000 0.976 253 V CB 2.147 34.188 31.823 0.363 0.000 1.038 253 V HN 0.378 nan 8.190 nan 0.000 0.446 254 K N 3.125 123.642 120.400 0.194 0.000 2.483 254 K HA 0.627 4.948 4.320 0.002 0.000 0.256 254 K C -2.802 173.878 176.600 0.133 0.000 0.961 254 K CA -1.736 54.631 56.287 0.133 0.000 0.873 254 K CB 1.696 34.227 32.500 0.050 0.000 1.107 254 K HN 0.653 nan 8.250 nan 0.000 0.432 255 P HA 0.073 nan 4.420 nan 0.000 0.272 255 P C -0.226 177.015 177.300 -0.098 0.000 1.230 255 P CA -0.334 62.468 63.100 -0.497 0.000 0.788 255 P CB 0.723 31.863 31.700 -0.933 0.000 0.949 256 D N -0.359 119.971 120.400 -0.116 0.000 2.183 256 D HA -0.019 4.623 4.640 0.002 0.000 0.203 256 D C 0.277 176.543 176.300 -0.056 0.000 0.969 256 D CA 1.423 55.416 54.000 -0.012 0.000 0.842 256 D CB 0.227 40.974 40.800 -0.088 0.000 0.957 256 D HN 0.076 nan 8.370 nan 0.000 0.484 257 V N 2.027 121.798 119.914 -0.238 0.000 2.638 257 V HA 0.276 4.397 4.120 0.002 0.000 0.306 257 V C -0.354 175.485 176.094 -0.426 0.000 1.052 257 V CA -0.765 61.337 62.300 -0.330 0.000 0.885 257 V CB 2.957 34.628 31.823 -0.253 0.000 0.999 257 V HN -0.074 nan 8.190 nan 0.000 0.424 258 I N 5.197 125.440 120.570 -0.546 0.000 2.441 258 I HA 0.492 4.663 4.170 0.002 0.000 0.295 258 I C -0.379 175.493 176.117 -0.407 0.000 0.994 258 I CA -0.484 60.520 61.300 -0.493 0.000 1.144 258 I CB 1.956 39.592 38.000 -0.606 0.000 1.314 258 I HN 0.392 nan 8.210 nan 0.000 0.445 259 L N 6.588 127.616 121.223 -0.326 0.000 2.282 259 L HA 0.596 4.937 4.340 0.002 0.000 0.288 259 L C -0.436 176.281 176.870 -0.255 0.000 1.033 259 L CA -0.552 54.129 54.840 -0.266 0.000 0.807 259 L CB 1.548 43.476 42.059 -0.218 0.000 1.209 259 L HN 0.350 nan 8.230 nan 0.000 0.423 260 L N 2.037 123.116 121.223 -0.239 0.000 2.333 260 L HA 0.938 5.280 4.340 0.002 0.000 0.263 260 L C 0.309 177.103 176.870 -0.126 0.000 1.014 260 L CA -0.436 54.280 54.840 -0.207 0.000 0.820 260 L CB 2.262 44.151 42.059 -0.283 0.000 1.352 260 L HN 0.783 nan 8.230 nan 0.000 0.421 261 G N -0.660 108.090 108.800 -0.083 0.000 2.510 261 G HA2 0.349 4.310 3.960 0.002 0.000 0.277 261 G HA3 0.349 4.310 3.960 0.002 0.000 0.277 261 G C -0.720 174.169 174.900 -0.017 0.000 1.223 261 G CA -0.249 44.826 45.100 -0.042 0.000 0.887 261 G HN 0.393 nan 8.290 nan 0.000 0.485 262 K N -1.041 119.359 120.400 -0.000 0.000 7.614 262 K HA -0.348 3.973 4.320 0.002 0.000 0.367 262 K C 2.241 178.849 176.600 0.013 0.000 0.578 262 K CA 2.861 59.155 56.287 0.012 0.000 1.269 262 K CB -2.005 30.505 32.500 0.017 0.000 0.795 262 K HN 1.532 nan 8.250 nan 0.000 0.991 263 A N 1.538 124.360 122.820 0.003 0.000 2.172 263 A HA 0.025 4.347 4.320 0.002 0.000 0.216 263 A C 2.384 179.976 177.584 0.013 0.000 1.154 263 A CA 1.583 53.621 52.037 0.002 0.000 0.701 263 A CB -0.489 18.505 19.000 -0.010 0.000 0.789 263 A HN 0.384 nan 8.150 nan 0.000 0.465 264 L N 0.053 121.287 121.223 0.018 0.000 2.270 264 L HA -0.231 4.111 4.340 0.002 0.000 0.217 264 L C 2.393 179.278 176.870 0.025 0.000 1.107 264 L CA 1.719 56.575 54.840 0.026 0.000 0.772 264 L CB -0.183 41.887 42.059 0.019 0.000 0.902 264 L HN 0.667 nan 8.230 nan 0.000 0.439 265 S N -2.288 113.438 115.700 0.043 0.000 2.666 265 S HA 0.207 4.678 4.470 0.002 0.000 0.239 265 S C 1.305 175.965 174.600 0.099 0.000 1.031 265 S CA 0.253 58.495 58.200 0.071 0.000 1.015 265 S CB 0.876 64.159 63.200 0.139 0.000 0.981 265 S HN 0.410 nan 8.310 nan 0.000 0.547 266 G N 1.339 110.178 108.800 0.065 0.000 2.361 266 G HA2 0.030 3.991 3.960 0.002 0.000 0.294 266 G HA3 0.030 3.991 3.960 0.002 0.000 0.294 266 G C 1.228 176.249 174.900 0.202 0.000 1.004 266 G CA 0.505 45.665 45.100 0.101 0.000 0.870 266 G HN 1.911 nan 8.290 nan 0.000 0.510 267 G N -2.010 106.860 108.800 0.117 0.000 2.184 267 G HA2 -0.332 3.629 3.960 0.002 0.000 0.264 267 G HA3 -0.332 3.629 3.960 0.002 0.000 0.264 267 G C 0.610 175.532 174.900 0.037 0.000 0.975 267 G CA 1.273 46.399 45.100 0.043 0.000 0.642 267 G HN 1.053 nan 8.290 nan 0.000 0.536 268 H N -1.776 117.330 119.070 0.061 0.000 2.548 268 H HA 0.501 5.058 4.556 0.002 0.000 0.265 268 H C 0.236 175.668 175.328 0.174 0.000 0.969 268 H CA 1.296 57.402 56.048 0.097 0.000 1.155 268 H CB 0.228 30.047 29.762 0.095 0.000 1.394 268 H HN 0.593 nan 8.280 nan 0.000 0.570 269 Y N -1.016 119.337 120.300 0.088 0.000 2.583 269 Y HA 0.254 4.805 4.550 0.002 0.000 0.330 269 Y C -2.905 173.005 175.900 0.017 0.000 1.185 269 Y CA -2.643 55.483 58.100 0.043 0.000 1.107 269 Y CB 1.632 40.125 38.460 0.056 0.000 1.344 269 Y HN -0.168 nan 8.280 nan 0.000 0.463 270 P HA 0.415 nan 4.420 nan 0.000 0.275 270 P C -1.100 176.304 177.300 0.173 0.000 1.276 270 P CA 0.656 63.760 63.100 0.006 0.000 0.782 270 P CB 0.166 31.788 31.700 -0.130 0.000 0.851 271 I N 1.933 122.582 120.570 0.130 0.000 2.619 271 I HA 0.521 4.692 4.170 0.002 0.000 0.292 271 I C 0.052 176.192 176.117 0.038 0.000 1.100 271 I CA -0.619 60.746 61.300 0.109 0.000 1.043 271 I CB 2.484 40.547 38.000 0.104 0.000 1.239 271 I HN 0.280 nan 8.210 nan 0.000 0.420 272 S N 3.738 119.446 115.700 0.013 0.000 2.651 272 S HA 0.994 5.466 4.470 0.002 0.000 0.279 272 S C -1.072 173.499 174.600 -0.049 0.000 1.148 272 S CA -0.696 57.487 58.200 -0.028 0.000 0.837 272 S CB 2.625 65.803 63.200 -0.036 0.000 1.138 272 S HN 1.051 nan 8.310 nan 0.000 0.478 273 A N 0.447 123.212 122.820 -0.093 0.000 2.604 273 A HA 0.767 5.088 4.320 0.002 0.000 0.295 273 A C -1.562 175.921 177.584 -0.169 0.000 1.067 273 A CA -0.757 51.210 52.037 -0.117 0.000 0.683 273 A CB 0.944 19.871 19.000 -0.122 0.000 1.281 273 A HN 0.865 nan 8.150 nan 0.000 0.407 274 I N 1.425 121.896 120.570 -0.165 0.000 2.433 274 I HA 0.451 4.623 4.170 0.002 0.000 0.292 274 I C -0.972 175.003 176.117 -0.238 0.000 1.001 274 I CA -0.503 60.672 61.300 -0.207 0.000 1.119 274 I CB 1.727 39.632 38.000 -0.160 0.000 1.289 274 I HN 0.516 nan 8.210 nan 0.000 0.438 275 L N 6.230 127.232 121.223 -0.368 0.000 2.329 275 L HA 0.922 5.263 4.340 0.002 0.000 0.279 275 L C -0.224 176.342 176.870 -0.506 0.000 1.014 275 L CA -0.274 54.304 54.840 -0.437 0.000 0.814 275 L CB 1.829 43.483 42.059 -0.675 0.000 1.257 275 L HN 0.739 nan 8.230 nan 0.000 0.424 276 A N 2.249 124.934 122.820 -0.226 0.000 2.601 276 A HA 0.623 4.944 4.320 0.002 0.000 0.291 276 A C -1.454 176.219 177.584 0.148 0.000 1.075 276 A CA -0.822 51.186 52.037 -0.049 0.000 0.671 276 A CB 1.352 20.300 19.000 -0.087 0.000 1.277 276 A HN 0.566 nan 8.150 nan 0.000 0.417 277 N N 0.282 119.091 118.700 0.181 0.000 2.434 277 N HA 0.193 4.934 4.740 0.002 0.000 0.266 277 N C 0.086 175.649 175.510 0.088 0.000 1.223 277 N CA -0.399 52.728 53.050 0.130 0.000 0.972 277 N CB 0.637 39.181 38.487 0.096 0.000 1.207 277 N HN 0.629 nan 8.380 nan 0.000 0.525 278 D N 0.379 120.826 120.400 0.079 0.000 2.133 278 D HA -0.183 4.458 4.640 0.002 0.000 0.195 278 D C 1.192 177.551 176.300 0.099 0.000 0.997 278 D CA 1.243 55.290 54.000 0.078 0.000 0.840 278 D CB -0.173 40.666 40.800 0.066 0.000 0.947 278 D HN 0.631 nan 8.370 nan 0.000 0.452 279 D N 0.697 121.165 120.400 0.113 0.000 2.182 279 D HA -0.137 4.504 4.640 0.002 0.000 0.201 279 D C 2.115 178.563 176.300 0.247 0.000 0.986 279 D CA 1.543 55.644 54.000 0.169 0.000 0.847 279 D CB -0.530 40.380 40.800 0.183 0.000 0.942 279 D HN 0.361 nan 8.370 nan 0.000 0.467 280 V N -2.054 117.957 119.914 0.161 0.000 2.492 280 V HA 0.042 4.163 4.120 0.002 0.000 0.241 280 V C 2.675 178.847 176.094 0.131 0.000 1.041 280 V CA 0.812 63.199 62.300 0.144 0.000 1.057 280 V CB -0.733 31.027 31.823 -0.105 0.000 0.711 280 V HN -0.020 nan 8.190 nan 0.000 0.468 281 M N 0.680 120.327 119.600 0.079 0.000 2.159 281 M HA 0.043 4.524 4.480 0.002 0.000 0.263 281 M C 1.825 178.174 176.300 0.081 0.000 1.063 281 M CA 1.912 57.249 55.300 0.061 0.000 1.110 281 M CB -0.765 31.859 32.600 0.040 0.000 1.374 281 M HN 0.348 nan 8.290 nan 0.000 0.411 282 L N -1.159 120.121 121.223 0.094 0.000 2.622 282 L HA -0.082 4.259 4.340 0.002 0.000 0.233 282 L C 1.939 178.868 176.870 0.098 0.000 1.156 282 L CA -0.177 54.715 54.840 0.087 0.000 0.866 282 L CB -0.508 41.600 42.059 0.081 0.000 0.980 282 L HN 0.112 nan 8.230 nan 0.000 0.448 283 V N 0.250 120.240 119.914 0.126 0.000 2.759 283 V HA -0.145 3.976 4.120 0.002 0.000 0.256 283 V C 1.232 177.396 176.094 0.116 0.000 1.080 283 V CA 0.863 63.244 62.300 0.135 0.000 1.101 283 V CB -0.161 31.784 31.823 0.203 0.000 0.698 283 V HN 0.232 nan 8.190 nan 0.000 0.477 284 L N 1.486 122.771 121.223 0.104 0.000 2.331 284 L HA 0.321 4.662 4.340 0.002 0.000 0.278 284 L C 0.146 177.071 176.870 0.091 0.000 1.106 284 L CA -0.044 54.855 54.840 0.099 0.000 0.824 284 L CB 0.574 42.681 42.059 0.079 0.000 1.142 284 L HN 0.040 nan 8.230 nan 0.000 0.443 285 K N 3.024 123.485 120.400 0.101 0.000 2.156 285 K HA 0.502 4.823 4.320 0.002 0.000 0.250 285 K C -2.299 174.366 176.600 0.109 0.000 0.955 285 K CA -2.121 54.218 56.287 0.087 0.000 0.855 285 K CB 0.752 33.292 32.500 0.067 0.000 1.101 285 K HN 0.219 nan 8.250 nan 0.000 0.434 286 P HA 0.139 nan 4.420 nan 0.000 0.261 286 P C -0.242 177.109 177.300 0.085 0.000 1.203 286 P CA 0.120 63.276 63.100 0.093 0.000 0.767 286 P CB 0.354 32.089 31.700 0.057 0.000 0.785 287 G N 1.601 110.487 108.800 0.143 0.000 3.042 287 G HA2 0.480 4.441 3.960 0.002 0.000 0.278 287 G HA3 0.480 4.441 3.960 0.002 0.000 0.278 287 G C -1.243 173.580 174.900 -0.128 0.000 1.371 287 G CA -0.491 44.571 45.100 -0.062 0.000 1.009 287 G HN 0.303 nan 8.290 nan 0.000 0.523 288 E N -0.066 119.979 120.200 -0.259 0.000 2.014 288 E HA 0.464 4.815 4.350 0.002 0.000 0.275 288 E C -0.833 175.590 176.600 -0.296 0.000 0.997 288 E CA -0.289 56.005 56.400 -0.177 0.000 0.804 288 E CB 0.079 29.713 29.700 -0.109 0.000 1.090 288 E HN 0.475 nan 8.360 nan 0.000 0.401 289 H N 1.041 120.092 119.070 -0.030 0.000 2.616 289 H HA 0.549 5.106 4.556 0.002 0.000 0.353 289 H C 0.632 175.944 175.328 -0.026 0.000 1.170 289 H CA -0.494 55.541 56.048 -0.021 0.000 1.212 289 H CB 1.577 31.327 29.762 -0.020 0.000 1.653 289 H HN 0.605 nan 8.280 nan 0.000 0.537 290 G N 0.619 109.485 108.800 0.109 0.000 2.562 290 G HA2 0.147 4.108 3.960 0.002 0.000 0.233 290 G HA3 0.147 4.108 3.960 0.002 0.000 0.233 290 G C 0.130 175.058 174.900 0.046 0.000 1.266 290 G CA -0.176 44.958 45.100 0.057 0.000 0.852 290 G HN 0.737 nan 8.290 nan 0.000 0.581 291 S N 0.325 116.035 115.700 0.015 0.000 2.566 291 S HA 0.505 4.977 4.470 0.002 0.000 0.280 291 S C 0.251 174.859 174.600 0.012 0.000 1.343 291 S CA 0.186 58.379 58.200 -0.011 0.000 1.036 291 S CB 0.971 64.154 63.200 -0.028 0.000 0.866 291 S HN 0.888 nan 8.310 nan 0.000 0.526 292 T N 0.783 115.326 114.554 -0.018 0.000 2.843 292 T HA 0.408 4.759 4.350 0.002 0.000 0.302 292 T C -0.633 174.058 174.700 -0.015 0.000 1.232 292 T CA -0.563 61.559 62.100 0.036 0.000 1.009 292 T CB 0.834 69.717 68.868 0.024 0.000 1.254 292 T HN 0.574 nan 8.240 nan 0.000 0.504 293 Y N 0.760 121.078 120.300 0.030 0.000 2.482 293 Y HA 0.362 4.913 4.550 0.002 0.000 0.270 293 Y C 1.930 177.871 175.900 0.068 0.000 1.152 293 Y CA -0.125 58.017 58.100 0.069 0.000 1.292 293 Y CB 0.178 38.700 38.460 0.104 0.000 1.070 293 Y HN 0.860 nan 8.280 nan 0.000 0.528 294 G N -0.121 108.771 108.800 0.153 0.000 2.313 294 G HA2 0.349 4.310 3.960 0.002 0.000 0.250 294 G HA3 0.349 4.310 3.960 0.002 0.000 0.250 294 G C 1.048 175.969 174.900 0.035 0.000 1.281 294 G CA 0.379 45.530 45.100 0.085 0.000 0.917 294 G HN 0.587 nan 8.290 nan 0.000 0.501 295 G N 1.812 110.632 108.800 0.034 0.000 2.143 295 G HA2 -0.298 3.663 3.960 0.002 0.000 0.249 295 G HA3 -0.298 3.663 3.960 0.002 0.000 0.249 295 G C 0.456 175.355 174.900 -0.001 0.000 0.981 295 G CA 0.343 45.446 45.100 0.005 0.000 0.665 295 G HN 1.436 nan 8.290 nan 0.000 0.528 296 N N 0.182 118.891 118.700 0.015 0.000 2.453 296 N HA 0.467 5.208 4.740 0.002 0.000 0.253 296 N C -0.819 174.666 175.510 -0.042 0.000 1.252 296 N CA -0.847 52.200 53.050 -0.004 0.000 0.917 296 N CB 0.856 39.368 38.487 0.043 0.000 1.117 296 N HN 0.065 nan 8.380 nan 0.000 0.442 297 P HA -0.167 nan 4.420 nan 0.000 0.216 297 P C 1.365 178.608 177.300 -0.093 0.000 1.150 297 P CA 0.628 63.703 63.100 -0.041 0.000 0.837 297 P CB 0.082 31.774 31.700 -0.013 0.000 0.786 298 L N -0.069 121.075 121.223 -0.133 0.000 2.027 298 L HA -0.030 4.311 4.340 0.002 0.000 0.206 298 L C 2.345 178.981 176.870 -0.390 0.000 1.074 298 L CA 2.043 56.753 54.840 -0.218 0.000 0.745 298 L CB -1.653 40.294 42.059 -0.187 0.000 0.898 298 L HN -0.105 nan 8.230 nan 0.000 0.433 299 A N -0.455 122.022 122.820 -0.572 0.000 1.908 299 A HA -0.149 4.172 4.320 0.002 0.000 0.218 299 A C 2.452 179.902 177.584 -0.223 0.000 1.181 299 A CA 1.969 53.690 52.037 -0.526 0.000 0.627 299 A CB -1.196 17.587 19.000 -0.362 0.000 0.818 299 A HN 0.581 nan 8.150 nan 0.000 0.445 300 A N -0.207 122.523 122.820 -0.151 0.000 1.902 300 A HA 0.138 4.460 4.320 0.002 0.000 0.217 300 A C 2.512 180.034 177.584 -0.104 0.000 1.181 300 A CA 2.210 54.194 52.037 -0.088 0.000 0.623 300 A CB -1.007 17.963 19.000 -0.050 0.000 0.818 300 A HN 1.071 nan 8.150 nan 0.000 0.443 301 A N -0.268 122.480 122.820 -0.120 0.000 1.898 301 A HA -0.021 4.300 4.320 0.002 0.000 0.216 301 A C 2.117 179.616 177.584 -0.143 0.000 1.181 301 A CA 1.421 53.385 52.037 -0.122 0.000 0.620 301 A CB -0.573 18.366 19.000 -0.102 0.000 0.819 301 A HN 0.481 nan 8.150 nan 0.000 0.442 302 I N -0.782 119.698 120.570 -0.151 0.000 2.226 302 I HA -0.306 3.865 4.170 0.002 0.000 0.245 302 I C 2.719 178.759 176.117 -0.128 0.000 1.100 302 I CA 1.288 62.504 61.300 -0.140 0.000 1.374 302 I CB -0.404 37.525 38.000 -0.118 0.000 1.057 302 I HN 0.580 nan 8.210 nan 0.000 0.413 303 C N 0.452 119.687 119.300 -0.109 0.000 2.413 303 C HA -0.138 4.323 4.460 0.002 0.000 0.277 303 C C 2.902 177.813 174.990 -0.132 0.000 1.228 303 C CA 1.081 60.053 59.018 -0.076 0.000 1.731 303 C CB -0.737 26.982 27.740 -0.034 0.000 2.042 303 C HN 0.366 nan 8.230 nan 0.000 0.468 304 V N 0.909 120.692 119.914 -0.219 0.000 2.287 304 V HA -0.195 3.926 4.120 0.002 0.000 0.248 304 V C 2.588 178.428 176.094 -0.422 0.000 1.053 304 V CA 2.579 64.593 62.300 -0.477 0.000 1.027 304 V CB -0.961 30.559 31.823 -0.505 0.000 0.646 304 V HN 0.640 nan 8.190 nan 0.000 0.447 305 E N 0.627 120.662 120.200 -0.275 0.000 2.106 305 E HA -0.146 4.205 4.350 0.002 0.000 0.192 305 E C 2.102 178.574 176.600 -0.212 0.000 0.984 305 E CA 1.517 57.779 56.400 -0.229 0.000 0.806 305 E CB -0.487 29.101 29.700 -0.187 0.000 0.750 305 E HN 0.517 nan 8.360 nan 0.000 0.458 306 A N 0.437 123.147 122.820 -0.184 0.000 1.933 306 A HA -0.115 4.206 4.320 0.002 0.000 0.218 306 A C 2.253 179.766 177.584 -0.118 0.000 1.175 306 A CA 1.322 53.265 52.037 -0.156 0.000 0.628 306 A CB -0.561 18.383 19.000 -0.094 0.000 0.814 306 A HN 0.348 nan 8.150 nan 0.000 0.444 307 L N -1.175 120.001 121.223 -0.079 0.000 2.131 307 L HA -0.103 4.238 4.340 0.002 0.000 0.206 307 L C 2.503 179.367 176.870 -0.009 0.000 1.087 307 L CA 1.205 56.051 54.840 0.010 0.000 0.767 307 L CB -0.503 41.661 42.059 0.175 0.000 0.917 307 L HN 0.390 nan 8.230 nan 0.000 0.441 308 K N -0.079 120.272 120.400 -0.082 0.000 2.032 308 K HA -0.164 4.158 4.320 0.002 0.000 0.209 308 K C 2.057 178.606 176.600 -0.085 0.000 1.048 308 K CA 1.238 57.485 56.287 -0.066 0.000 0.927 308 K CB -0.207 32.217 32.500 -0.127 0.000 0.712 308 K HN 0.078 nan 8.250 nan 0.000 0.441 309 V N 1.591 121.414 119.914 -0.150 0.000 2.295 309 V HA -0.249 3.872 4.120 0.002 0.000 0.246 309 V C 2.215 178.230 176.094 -0.132 0.000 1.049 309 V CA 1.515 63.694 62.300 -0.201 0.000 1.024 309 V CB -0.341 31.205 31.823 -0.462 0.000 0.648 309 V HN 0.276 nan 8.190 nan 0.000 0.447 310 L N -0.602 120.554 121.223 -0.111 0.000 2.079 310 L HA -0.184 4.157 4.340 0.002 0.000 0.210 310 L C 2.072 178.910 176.870 -0.054 0.000 1.081 310 L CA 2.035 56.833 54.840 -0.071 0.000 0.752 310 L CB -0.275 41.754 42.059 -0.050 0.000 0.896 310 L HN 0.231 nan 8.230 nan 0.000 0.433 311 I N -1.147 119.393 120.570 -0.049 0.000 2.339 311 I HA -0.174 3.997 4.170 0.002 0.000 0.245 311 I C 1.925 178.019 176.117 -0.039 0.000 1.096 311 I CA 0.616 61.887 61.300 -0.048 0.000 1.408 311 I CB -0.387 37.587 38.000 -0.043 0.000 1.092 311 I HN 0.254 nan 8.210 nan 0.000 0.423 312 N N 1.048 119.729 118.700 -0.032 0.000 2.205 312 N HA -0.186 4.555 4.740 0.002 0.000 0.186 312 N C 1.263 176.766 175.510 -0.013 0.000 1.015 312 N CA 1.245 54.282 53.050 -0.021 0.000 0.862 312 N CB -0.205 38.271 38.487 -0.018 0.000 0.986 312 N HN 0.456 nan 8.380 nan 0.000 0.429 313 E N 0.459 120.652 120.200 -0.012 0.000 2.463 313 E HA 0.086 4.437 4.350 0.002 0.000 0.193 313 E C -0.250 176.345 176.600 -0.008 0.000 1.041 313 E CA -0.126 56.276 56.400 0.003 0.000 0.879 313 E CB 0.291 30.008 29.700 0.028 0.000 0.997 313 E HN 0.078 nan 8.360 nan 0.000 0.478 314 K N 0.251 120.638 120.400 -0.021 0.000 3.071 314 K HA -0.222 4.099 4.320 0.002 0.000 0.265 314 K C 0.792 177.375 176.600 -0.027 0.000 1.060 314 K CA 0.393 56.664 56.287 -0.027 0.000 0.767 314 K CB -2.043 30.446 32.500 -0.020 0.000 1.241 314 K HN 0.338 nan 8.250 nan 0.000 0.486 315 L N -1.083 120.121 121.223 -0.031 0.000 2.141 315 L HA -0.203 4.138 4.340 0.002 0.000 0.209 315 L C 2.479 179.327 176.870 -0.038 0.000 1.094 315 L CA 1.574 56.394 54.840 -0.033 0.000 0.763 315 L CB -0.417 41.621 42.059 -0.035 0.000 0.908 315 L HN 0.366 nan 8.230 nan 0.000 0.437 316 C N 0.003 119.278 119.300 -0.043 0.000 2.446 316 C HA -0.118 4.343 4.460 0.002 0.000 0.277 316 C C 2.613 177.587 174.990 -0.028 0.000 1.275 316 C CA 0.464 59.457 59.018 -0.042 0.000 1.727 316 C CB -0.657 27.044 27.740 -0.066 0.000 2.010 316 C HN 0.505 nan 8.230 nan 0.000 0.486 317 E N 1.337 121.520 120.200 -0.028 0.000 2.047 317 E HA -0.137 4.214 4.350 0.002 0.000 0.191 317 E C 1.910 178.505 176.600 -0.009 0.000 0.987 317 E CA 1.078 57.469 56.400 -0.015 0.000 0.799 317 E CB -0.529 29.161 29.700 -0.018 0.000 0.752 317 E HN 0.561 nan 8.360 nan 0.000 0.449 318 N N 0.263 118.953 118.700 -0.017 0.000 2.104 318 N HA -0.164 4.577 4.740 0.002 0.000 0.190 318 N C 1.526 177.022 175.510 -0.023 0.000 1.024 318 N CA 1.674 54.712 53.050 -0.019 0.000 0.853 318 N CB -0.286 38.185 38.487 -0.027 0.000 1.008 318 N HN 0.190 nan 8.380 nan 0.000 0.424 319 A N -0.336 122.467 122.820 -0.028 0.000 1.930 319 A HA -0.109 4.212 4.320 0.002 0.000 0.217 319 A C 1.995 179.582 177.584 0.005 0.000 1.175 319 A CA 1.731 53.750 52.037 -0.029 0.000 0.627 319 A CB -0.703 18.276 19.000 -0.035 0.000 0.815 319 A HN 0.380 nan 8.150 nan 0.000 0.443 320 D N -0.411 120.002 120.400 0.020 0.000 2.178 320 D HA -0.086 4.556 4.640 0.002 0.000 0.202 320 D C 1.990 178.312 176.300 0.036 0.000 0.974 320 D CA 1.230 55.258 54.000 0.047 0.000 0.841 320 D CB -0.013 40.823 40.800 0.060 0.000 0.953 320 D HN 0.493 nan 8.370 nan 0.000 0.478 321 K N -0.289 120.124 120.400 0.023 0.000 1.991 321 K HA 0.026 4.347 4.320 0.002 0.000 0.207 321 K C 2.273 178.891 176.600 0.030 0.000 1.045 321 K CA 0.654 56.955 56.287 0.024 0.000 0.937 321 K CB -0.154 32.355 32.500 0.015 0.000 0.720 321 K HN 0.181 nan 8.250 nan 0.000 0.438 322 L N 0.642 121.876 121.223 0.019 0.000 2.291 322 L HA -0.037 4.304 4.340 0.002 0.000 0.214 322 L C 2.461 179.374 176.870 0.071 0.000 1.120 322 L CA 0.792 55.648 54.840 0.027 0.000 0.799 322 L CB -0.877 41.169 42.059 -0.023 0.000 0.925 322 L HN 0.348 nan 8.230 nan 0.000 0.446 323 G N 0.407 109.242 108.800 0.059 0.000 2.552 323 G HA2 -0.273 3.688 3.960 0.002 0.000 0.216 323 G HA3 -0.273 3.688 3.960 0.002 0.000 0.216 323 G C 1.789 176.780 174.900 0.151 0.000 1.240 323 G CA 0.930 46.091 45.100 0.102 0.000 0.796 323 G HN 0.421 nan 8.290 nan 0.000 0.568 324 A N 1.617 124.490 122.820 0.088 0.000 1.883 324 A HA 0.048 4.369 4.320 0.002 0.000 0.217 324 A C 0.861 178.486 177.584 0.068 0.000 1.186 324 A CA 2.235 54.311 52.037 0.065 0.000 0.624 324 A CB -1.315 17.706 19.000 0.035 0.000 0.822 324 A HN 0.393 nan 8.150 nan 0.000 0.444 325 P HA -0.207 nan 4.420 nan 0.000 0.214 325 P C 1.542 178.901 177.300 0.098 0.000 1.163 325 P CA 1.367 64.513 63.100 0.076 0.000 0.889 325 P CB -0.237 31.514 31.700 0.084 0.000 0.790 326 F N 0.072 120.026 119.950 0.007 0.000 2.095 326 F HA -0.186 4.342 4.527 0.002 0.000 0.298 326 F C 2.065 177.873 175.800 0.013 0.000 1.104 326 F CA 1.303 59.309 58.000 0.011 0.000 1.232 326 F CB -1.113 37.895 39.000 0.014 0.000 0.987 326 F HN -0.242 nan 8.300 nan 0.000 0.475 327 L N 0.308 121.474 121.223 -0.095 0.000 2.056 327 L HA -0.180 4.161 4.340 0.002 0.000 0.207 327 L C 2.514 179.276 176.870 -0.181 0.000 1.078 327 L CA 1.928 56.644 54.840 -0.206 0.000 0.749 327 L CB -0.869 41.181 42.059 -0.016 0.000 0.901 327 L HN 0.300 nan 8.230 nan 0.000 0.433 328 Q N -0.316 119.430 119.800 -0.090 0.000 2.046 328 Q HA -0.229 4.112 4.340 0.002 0.000 0.200 328 Q C 2.091 178.040 176.000 -0.086 0.000 0.975 328 Q CA 1.949 57.713 55.803 -0.066 0.000 0.836 328 Q CB -0.491 28.232 28.738 -0.025 0.000 0.896 328 Q HN 0.518 nan 8.270 nan 0.000 0.428 329 N N -0.410 118.237 118.700 -0.088 0.000 2.149 329 N HA -0.164 4.578 4.740 0.002 0.000 0.188 329 N C 1.460 176.890 175.510 -0.133 0.000 1.019 329 N CA 1.111 54.112 53.050 -0.081 0.000 0.857 329 N CB -0.341 38.121 38.487 -0.041 0.000 0.997 329 N HN 0.338 nan 8.380 nan 0.000 0.426 330 L N 1.146 122.216 121.223 -0.255 0.000 2.072 330 L HA 0.013 4.354 4.340 0.002 0.000 0.205 330 L C 2.304 179.076 176.870 -0.163 0.000 1.079 330 L CA 1.624 56.300 54.840 -0.274 0.000 0.752 330 L CB -0.760 40.991 42.059 -0.515 0.000 0.906 330 L HN 0.153 nan 8.230 nan 0.000 0.436 331 K N -0.953 119.358 120.400 -0.147 0.000 2.103 331 K HA -0.205 4.116 4.320 0.002 0.000 0.207 331 K C 2.034 178.596 176.600 -0.064 0.000 1.048 331 K CA 1.371 57.602 56.287 -0.094 0.000 0.930 331 K CB -0.022 32.432 32.500 -0.077 0.000 0.716 331 K HN 0.272 nan 8.250 nan 0.000 0.444 332 E N 0.844 121.008 120.200 -0.059 0.000 2.028 332 E HA -0.170 4.181 4.350 0.002 0.000 0.191 332 E C 1.964 178.547 176.600 -0.028 0.000 0.988 332 E CA 1.307 57.685 56.400 -0.037 0.000 0.799 332 E CB -0.010 29.672 29.700 -0.030 0.000 0.755 332 E HN 0.465 nan 8.360 nan 0.000 0.447 333 Q N -0.273 119.506 119.800 -0.034 0.000 2.436 333 Q HA -0.003 4.338 4.340 0.002 0.000 0.209 333 Q C 1.592 177.589 176.000 -0.005 0.000 0.965 333 Q CA 0.458 56.252 55.803 -0.015 0.000 0.910 333 Q CB 0.228 28.958 28.738 -0.014 0.000 0.980 333 Q HN 0.227 nan 8.270 nan 0.000 0.491 334 L N 0.245 121.457 121.223 -0.017 0.000 2.906 334 L HA 0.103 4.444 4.340 0.002 0.000 0.255 334 L C 1.796 178.660 176.870 -0.010 0.000 1.166 334 L CA -0.098 54.739 54.840 -0.005 0.000 0.977 334 L CB 0.147 42.195 42.059 -0.019 0.000 1.313 334 L HN 0.112 nan 8.230 nan 0.000 0.549 335 K N -0.597 119.795 120.400 -0.013 0.000 2.211 335 K HA -0.152 4.170 4.320 0.002 0.000 0.204 335 K C 0.524 177.122 176.600 -0.003 0.000 1.047 335 K CA 1.533 57.812 56.287 -0.013 0.000 0.935 335 K CB -0.019 32.473 32.500 -0.013 0.000 0.728 335 K HN 0.196 nan 8.250 nan 0.000 0.452 336 D N 1.156 121.559 120.400 0.006 0.000 2.349 336 D HA -0.013 4.628 4.640 0.002 0.000 0.214 336 D C 0.094 176.407 176.300 0.021 0.000 1.063 336 D CA 0.212 54.219 54.000 0.011 0.000 0.847 336 D CB 0.486 41.293 40.800 0.012 0.000 0.933 336 D HN 0.202 nan 8.370 nan 0.000 0.513 337 S N 0.756 116.472 115.700 0.027 0.000 2.549 337 S HA 0.013 4.484 4.470 0.002 0.000 0.283 337 S C 1.202 175.830 174.600 0.047 0.000 1.320 337 S CA -0.229 58.000 58.200 0.049 0.000 1.058 337 S CB 1.608 64.849 63.200 0.067 0.000 0.882 337 S HN -0.023 nan 8.310 nan 0.000 0.498 338 K N 2.833 123.268 120.400 0.057 0.000 2.116 338 K HA -0.007 4.314 4.320 0.002 0.000 0.203 338 K C 1.789 178.435 176.600 0.077 0.000 1.052 338 K CA 1.388 57.707 56.287 0.053 0.000 0.952 338 K CB -0.180 32.347 32.500 0.045 0.000 0.729 338 K HN 0.723 nan 8.250 nan 0.000 0.446 339 V N -1.411 118.576 119.914 0.122 0.000 2.788 339 V HA 0.060 4.181 4.120 0.002 0.000 0.251 339 V C 0.929 177.163 176.094 0.234 0.000 1.068 339 V CA 0.091 62.504 62.300 0.188 0.000 1.090 339 V CB -0.097 31.864 31.823 0.230 0.000 0.710 339 V HN -0.165 nan 8.190 nan 0.000 0.467 340 V N 2.055 122.043 119.914 0.124 0.000 2.521 340 V HA 0.243 4.364 4.120 0.002 0.000 0.286 340 V C 1.543 177.592 176.094 -0.076 0.000 1.034 340 V CA 0.735 62.979 62.300 -0.094 0.000 1.045 340 V CB 0.694 32.443 31.823 -0.124 0.000 0.974 340 V HN 0.629 nan 8.190 nan 0.000 0.480 341 R N 3.765 124.192 120.500 -0.121 0.000 2.105 341 R HA 0.216 4.557 4.340 0.002 0.000 0.214 341 R C 0.625 176.878 176.300 -0.078 0.000 1.091 341 R CA 0.954 57.016 56.100 -0.063 0.000 1.007 341 R CB 0.384 30.665 30.300 -0.033 0.000 0.912 341 R HN 0.817 nan 8.270 nan 0.000 0.450 342 E N -0.694 119.431 120.200 -0.125 0.000 2.400 342 E HA 0.228 4.579 4.350 0.002 0.000 0.285 342 E C -1.759 174.765 176.600 -0.126 0.000 1.005 342 E CA -0.737 55.605 56.400 -0.097 0.000 0.816 342 E CB 1.966 31.634 29.700 -0.053 0.000 1.220 342 E HN -0.031 nan 8.360 nan 0.000 0.426 343 V N 4.027 123.882 119.914 -0.100 0.000 2.407 343 V HA 0.569 4.690 4.120 0.002 0.000 0.278 343 V C 0.150 176.215 176.094 -0.047 0.000 1.037 343 V CA -0.299 61.946 62.300 -0.091 0.000 0.900 343 V CB 1.210 32.970 31.823 -0.105 0.000 0.983 343 V HN 0.580 nan 8.190 nan 0.000 0.459 344 R N 2.312 122.800 120.500 -0.021 0.000 2.837 344 R HA 0.879 5.220 4.340 0.002 0.000 0.271 344 R C -0.098 176.223 176.300 0.036 0.000 0.993 344 R CA -0.484 55.623 56.100 0.012 0.000 0.931 344 R CB 2.516 32.831 30.300 0.025 0.000 1.206 344 R HN 0.985 nan 8.270 nan 0.000 0.474 345 G N 0.768 109.598 108.800 0.050 0.000 2.337 345 G HA2 0.247 4.208 3.960 0.002 0.000 0.298 345 G HA3 0.247 4.208 3.960 0.002 0.000 0.298 345 G C -1.951 172.986 174.900 0.062 0.000 1.335 345 G CA -0.801 44.339 45.100 0.066 0.000 0.875 345 G HN 0.462 nan 8.290 nan 0.000 0.579 346 K N -0.434 120.003 120.400 0.061 0.000 2.570 346 K HA 0.556 4.877 4.320 0.002 0.000 0.256 346 K C 0.782 177.405 176.600 0.039 0.000 0.939 346 K CA 0.703 57.008 56.287 0.030 0.000 0.833 346 K CB 1.295 33.809 32.500 0.023 0.000 1.318 346 K HN 2.489 nan 8.250 nan 0.000 0.433 347 G N 2.829 111.646 108.800 0.029 0.000 2.611 347 G HA2 -0.321 3.640 3.960 0.002 0.000 0.301 347 G HA3 -0.321 3.640 3.960 0.002 0.000 0.301 347 G C 0.161 175.088 174.900 0.044 0.000 1.233 347 G CA 0.398 45.524 45.100 0.044 0.000 0.993 347 G HN 0.551 nan 8.290 nan 0.000 0.553 348 L N 0.140 121.365 121.223 0.003 0.000 2.848 348 L HA 0.423 4.765 4.340 0.002 0.000 0.240 348 L C 0.360 177.205 176.870 -0.040 0.000 1.232 348 L CA -0.338 54.473 54.840 -0.049 0.000 1.031 348 L CB 0.456 42.429 42.059 -0.142 0.000 1.338 348 L HN 0.352 nan 8.230 nan 0.000 0.509 349 L N 0.769 122.001 121.223 0.016 0.000 2.314 349 L HA 0.418 4.759 4.340 0.002 0.000 0.275 349 L C -0.406 176.503 176.870 0.066 0.000 1.068 349 L CA -0.092 54.765 54.840 0.030 0.000 0.894 349 L CB 0.170 42.255 42.059 0.043 0.000 1.275 349 L HN 0.079 nan 8.230 nan 0.000 0.432 350 C N 2.834 122.184 119.300 0.083 0.000 2.848 350 C HA 1.026 5.487 4.460 0.002 0.000 0.317 350 C C 0.187 175.245 174.990 0.114 0.000 1.260 350 C CA -0.548 58.546 59.018 0.126 0.000 1.656 350 C CB 1.191 29.076 27.740 0.242 0.000 2.174 350 C HN 0.969 nan 8.230 nan 0.000 0.479 351 A N 0.619 123.496 122.820 0.095 0.000 2.608 351 A HA 0.855 5.176 4.320 0.002 0.000 0.292 351 A C -1.696 175.906 177.584 0.031 0.000 1.066 351 A CA -0.365 51.722 52.037 0.083 0.000 0.676 351 A CB 0.764 19.810 19.000 0.077 0.000 1.277 351 A HN 0.760 nan 8.150 nan 0.000 0.413 352 I N 1.218 121.797 120.570 0.014 0.000 2.418 352 I HA 0.363 4.534 4.170 0.002 0.000 0.287 352 I C -0.005 175.977 176.117 -0.224 0.000 1.008 352 I CA -0.282 60.917 61.300 -0.168 0.000 1.104 352 I CB 1.923 39.755 38.000 -0.278 0.000 1.264 352 I HN 0.855 nan 8.210 nan 0.000 0.438 353 E N 6.123 126.180 120.200 -0.239 0.000 2.227 353 E HA 0.455 4.806 4.350 0.002 0.000 0.282 353 E C -1.522 174.888 176.600 -0.317 0.000 1.015 353 E CA -0.419 55.897 56.400 -0.140 0.000 0.823 353 E CB 1.014 30.691 29.700 -0.038 0.000 1.081 353 E HN 0.316 nan 8.360 nan 0.000 0.396 354 F N 2.356 122.325 119.950 0.032 0.000 2.483 354 F HA 0.331 4.859 4.527 0.002 0.000 0.329 354 F C 0.428 176.234 175.800 0.009 0.000 1.064 354 F CA -1.024 56.981 58.000 0.009 0.000 0.986 354 F CB 1.343 40.329 39.000 -0.023 0.000 1.218 354 F HN 0.229 nan 8.300 nan 0.000 0.484 355 K N 2.691 123.208 120.400 0.195 0.000 2.237 355 K HA 0.044 4.365 4.320 0.002 0.000 0.283 355 K C 0.478 177.143 176.600 0.108 0.000 1.080 355 K CA -0.046 56.310 56.287 0.115 0.000 0.965 355 K CB -0.170 32.380 32.500 0.083 0.000 1.098 355 K HN 0.601 nan 8.250 nan 0.000 0.434 356 N N 1.537 120.294 118.700 0.095 0.000 2.573 356 N HA -0.164 4.577 4.740 0.002 0.000 0.187 356 N C 0.220 175.756 175.510 0.044 0.000 1.107 356 N CA 0.732 53.823 53.050 0.068 0.000 0.918 356 N CB 0.148 38.678 38.487 0.071 0.000 0.966 356 N HN 0.310 nan 8.380 nan 0.000 0.448 357 D N 0.219 120.645 120.400 0.043 0.000 2.323 357 D HA 0.096 4.737 4.640 0.002 0.000 0.209 357 D C 1.775 178.094 176.300 0.032 0.000 0.973 357 D CA 0.338 54.357 54.000 0.033 0.000 0.874 357 D CB 0.370 41.188 40.800 0.030 0.000 0.930 357 D HN 0.361 nan 8.370 nan 0.000 0.521 358 L N -0.324 120.922 121.223 0.038 0.000 2.425 358 L HA 0.158 4.499 4.340 0.002 0.000 0.215 358 L C 0.636 177.524 176.870 0.030 0.000 1.065 358 L CA 0.139 55.003 54.840 0.039 0.000 0.842 358 L CB 0.445 42.536 42.059 0.052 0.000 1.033 358 L HN -0.173 nan 8.230 nan 0.000 0.474 359 V N -3.703 116.208 119.914 -0.004 0.000 2.962 359 V HA 0.453 4.574 4.120 0.002 0.000 0.313 359 V C -0.680 175.347 176.094 -0.111 0.000 1.099 359 V CA -0.960 61.285 62.300 -0.093 0.000 0.971 359 V CB 2.124 33.765 31.823 -0.303 0.000 1.028 359 V HN 0.097 nan 8.190 nan 0.000 0.430 360 N N 1.399 120.026 118.700 -0.122 0.000 2.419 360 N HA 0.288 5.029 4.740 0.002 0.000 0.264 360 N C 0.549 175.948 175.510 -0.184 0.000 1.031 360 N CA -0.191 52.819 53.050 -0.067 0.000 0.951 360 N CB 2.034 40.547 38.487 0.043 0.000 1.101 360 N HN 0.598 nan 8.380 nan 0.000 0.488 361 V N 4.514 124.363 119.914 -0.108 0.000 2.591 361 V HA -0.107 4.014 4.120 0.002 0.000 0.249 361 V C 2.070 178.136 176.094 -0.047 0.000 1.053 361 V CA 0.796 62.991 62.300 -0.174 0.000 1.068 361 V CB -0.660 31.149 31.823 -0.023 0.000 0.689 361 V HN 0.752 nan 8.190 nan 0.000 0.462 362 W N 1.696 122.943 121.300 -0.088 0.000 2.318 362 W HA -0.230 4.431 4.660 0.002 0.000 0.313 362 W C 1.973 178.464 176.519 -0.047 0.000 1.221 362 W CA 2.242 59.565 57.345 -0.037 0.000 1.266 362 W CB -0.238 29.218 29.460 -0.008 0.000 1.150 362 W HN 0.350 nan 8.180 nan 0.000 0.496 363 D N 0.577 121.027 120.400 0.084 0.000 2.144 363 D HA -0.194 4.447 4.640 0.002 0.000 0.199 363 D C 2.127 178.399 176.300 -0.047 0.000 0.984 363 D CA 1.827 55.866 54.000 0.064 0.000 0.834 363 D CB -0.669 40.285 40.800 0.257 0.000 0.955 363 D HN 0.288 nan 8.370 nan 0.000 0.465 364 I N 0.574 120.906 120.570 -0.396 0.000 2.163 364 I HA -0.302 3.869 4.170 0.002 0.000 0.243 364 I C 2.463 178.317 176.117 -0.439 0.000 1.085 364 I CA 0.767 61.697 61.300 -0.616 0.000 1.347 364 I CB -0.268 37.124 38.000 -1.014 0.000 1.044 364 I HN 0.076 nan 8.210 nan 0.000 0.408 365 C N 0.672 119.826 119.300 -0.242 0.000 2.429 365 C HA -0.126 4.335 4.460 0.002 0.000 0.277 365 C C 2.735 177.624 174.990 -0.169 0.000 1.262 365 C CA 0.501 59.475 59.018 -0.074 0.000 1.733 365 C CB -1.023 26.617 27.740 -0.167 0.000 2.010 365 C HN 0.457 nan 8.230 nan 0.000 0.483 366 L N 0.676 121.703 121.223 -0.326 0.000 2.079 366 L HA -0.172 4.169 4.340 0.002 0.000 0.210 366 L C 2.603 179.394 176.870 -0.131 0.000 1.081 366 L CA 1.426 56.108 54.840 -0.262 0.000 0.752 366 L CB -0.648 41.252 42.059 -0.265 0.000 0.896 366 L HN 0.267 nan 8.230 nan 0.000 0.433 367 K N 0.059 120.385 120.400 -0.124 0.000 2.103 367 K HA -0.115 4.206 4.320 0.002 0.000 0.204 367 K C 1.851 178.400 176.600 -0.085 0.000 1.052 367 K CA 1.309 57.509 56.287 -0.145 0.000 0.945 367 K CB -0.269 32.161 32.500 -0.117 0.000 0.722 367 K HN -0.043 nan 8.250 nan 0.000 0.443 368 F N 1.780 121.713 119.950 -0.028 0.000 2.095 368 F HA -0.197 4.331 4.527 0.002 0.000 0.298 368 F C 2.268 178.066 175.800 -0.004 0.000 1.104 368 F CA 1.456 59.442 58.000 -0.023 0.000 1.232 368 F CB -0.652 38.324 39.000 -0.040 0.000 0.987 368 F HN 0.068 nan 8.300 nan 0.000 0.475 369 K N 0.947 121.447 120.400 0.167 0.000 2.009 369 K HA -0.257 4.064 4.320 0.002 0.000 0.210 369 K C 2.090 178.809 176.600 0.198 0.000 1.049 369 K CA 1.927 58.284 56.287 0.118 0.000 0.929 369 K CB -0.596 31.874 32.500 -0.050 0.000 0.714 369 K HN 0.362 nan 8.250 nan 0.000 0.440 370 E N 0.329 120.578 120.200 0.081 0.000 2.171 370 E HA -0.182 4.169 4.350 0.002 0.000 0.197 370 E C 1.139 177.765 176.600 0.042 0.000 0.997 370 E CA 1.375 57.800 56.400 0.041 0.000 0.810 370 E CB -0.043 29.622 29.700 -0.059 0.000 0.738 370 E HN 0.455 nan 8.360 nan 0.000 0.467 371 N N -1.428 117.312 118.700 0.066 0.000 2.398 371 N HA 0.060 4.802 4.740 0.002 0.000 0.188 371 N C 0.454 176.026 175.510 0.103 0.000 1.122 371 N CA 0.282 53.372 53.050 0.067 0.000 0.866 371 N CB 0.836 39.370 38.487 0.079 0.000 0.970 371 N HN 0.250 nan 8.380 nan 0.000 0.462 372 G N 1.101 109.993 108.800 0.153 0.000 2.134 372 G HA2 -0.217 3.744 3.960 0.002 0.000 0.209 372 G HA3 -0.217 3.744 3.960 0.002 0.000 0.209 372 G C -0.380 174.697 174.900 0.294 0.000 0.993 372 G CA -0.322 44.865 45.100 0.145 0.000 0.669 372 G HN 0.272 nan 8.290 nan 0.000 0.519 373 L N 1.209 122.598 121.223 0.276 0.000 2.438 373 L HA 0.823 5.165 4.340 0.002 0.000 0.270 373 L C -0.083 176.847 176.870 0.100 0.000 0.972 373 L CA -1.478 53.456 54.840 0.158 0.000 0.831 373 L CB 1.447 43.423 42.059 -0.137 0.000 1.273 373 L HN 0.341 nan 8.230 nan 0.000 0.405 374 I N 1.613 122.228 120.570 0.075 0.000 2.441 374 I HA 0.826 4.997 4.170 0.002 0.000 0.295 374 I C -0.435 175.674 176.117 -0.013 0.000 0.994 374 I CA -0.073 61.215 61.300 -0.021 0.000 1.144 374 I CB 1.947 39.859 38.000 -0.147 0.000 1.314 374 I HN 0.668 nan 8.210 nan 0.000 0.445 375 T N 3.627 118.161 114.554 -0.033 0.000 2.648 375 T HA 0.616 4.967 4.350 0.002 0.000 0.304 375 T C -1.524 173.168 174.700 -0.014 0.000 1.312 375 T CA -0.708 61.377 62.100 -0.026 0.000 1.023 375 T CB 1.844 70.701 68.868 -0.018 0.000 1.612 375 T HN 0.874 nan 8.240 nan 0.000 0.487 376 R N 0.265 120.777 120.500 0.019 0.000 2.774 376 R HA 0.715 5.056 4.340 0.002 0.000 0.272 376 R C -1.212 175.162 176.300 0.124 0.000 1.000 376 R CA -0.378 55.761 56.100 0.064 0.000 0.906 376 R CB 1.961 32.313 30.300 0.087 0.000 1.227 376 R HN 0.803 nan 8.270 nan 0.000 0.468 377 S N 1.069 116.864 115.700 0.158 0.000 2.508 377 S HA 0.507 4.978 4.470 0.002 0.000 0.284 377 S C -0.515 174.171 174.600 0.143 0.000 1.192 377 S CA -0.815 57.487 58.200 0.170 0.000 1.070 377 S CB 1.785 65.095 63.200 0.183 0.000 1.004 377 S HN 0.390 nan 8.310 nan 0.000 0.493 378 V N 5.248 125.220 119.914 0.097 0.000 2.509 378 V HA 0.382 4.503 4.120 0.002 0.000 0.284 378 V C 0.301 176.390 176.094 -0.009 0.000 1.047 378 V CA 0.347 62.619 62.300 -0.047 0.000 0.952 378 V CB -0.232 31.512 31.823 -0.132 0.000 0.988 378 V HN 1.119 nan 8.190 nan 0.000 0.469 379 H N 3.904 123.032 119.070 0.097 0.000 1.452 379 H HA -0.176 4.381 4.556 0.002 0.000 0.090 379 H C 0.404 175.786 175.328 0.090 0.000 2.786 379 H CA 1.227 57.321 56.048 0.077 0.000 1.901 379 H CB -0.774 29.026 29.762 0.064 0.000 2.257 379 H HN 0.847 nan 8.280 nan 0.000 0.961 380 D N 0.980 121.523 120.400 0.239 0.000 2.349 380 D HA 0.096 4.737 4.640 0.002 0.000 0.214 380 D C 1.245 177.637 176.300 0.152 0.000 1.063 380 D CA 0.712 54.803 54.000 0.153 0.000 0.847 380 D CB 0.476 41.337 40.800 0.103 0.000 0.933 380 D HN 0.393 nan 8.370 nan 0.000 0.513 381 K N -0.382 120.131 120.400 0.189 0.000 2.443 381 K HA 0.138 4.459 4.320 0.002 0.000 0.200 381 K C 0.389 177.148 176.600 0.264 0.000 1.278 381 K CA 0.317 56.723 56.287 0.199 0.000 0.925 381 K CB 0.951 33.544 32.500 0.154 0.000 1.225 381 K HN -0.162 nan 8.250 nan 0.000 0.514 382 T N 1.834 116.528 114.554 0.233 0.000 2.823 382 T HA 0.413 4.765 4.350 0.002 0.000 0.279 382 T C -0.711 174.135 174.700 0.243 0.000 0.998 382 T CA -0.548 61.685 62.100 0.222 0.000 0.994 382 T CB 2.359 71.320 68.868 0.155 0.000 0.960 382 T HN -0.228 nan 8.240 nan 0.000 0.448 383 V N 3.445 123.537 119.914 0.295 0.000 2.435 383 V HA 0.510 4.631 4.120 0.002 0.000 0.290 383 V C 0.264 176.474 176.094 0.193 0.000 1.030 383 V CA -0.961 61.510 62.300 0.286 0.000 0.881 383 V CB 1.572 33.678 31.823 0.473 0.000 0.983 383 V HN 0.646 nan 8.190 nan 0.000 0.445 384 R N 4.413 125.000 120.500 0.144 0.000 2.340 384 R HA 0.492 4.834 4.340 0.002 0.000 0.300 384 R C -1.056 175.310 176.300 0.110 0.000 1.069 384 R CA 0.067 56.230 56.100 0.106 0.000 0.984 384 R CB 0.269 30.614 30.300 0.076 0.000 1.003 384 R HN 0.690 nan 8.270 nan 0.000 0.459 385 L N 4.979 126.281 121.223 0.132 0.000 2.417 385 L HA 0.371 4.712 4.340 0.002 0.000 0.259 385 L C -0.649 176.240 176.870 0.033 0.000 1.023 385 L CA -0.441 54.544 54.840 0.242 0.000 0.901 385 L CB 1.616 43.889 42.059 0.356 0.000 1.227 385 L HN 0.859 nan 8.230 nan 0.000 0.454 386 T N -0.592 113.860 114.554 -0.170 0.000 3.135 386 T HA 0.414 4.765 4.350 0.002 0.000 0.357 386 T C -2.827 171.569 174.700 -0.507 0.000 1.112 386 T CA -1.707 60.214 62.100 -0.298 0.000 1.290 386 T CB 1.428 70.206 68.868 -0.149 0.000 1.018 386 T HN 0.070 nan 8.240 nan 0.000 0.527 387 P HA 0.445 nan 4.420 nan 0.000 0.279 387 P C -2.791 174.248 177.300 -0.435 0.000 1.252 387 P CA -1.919 60.687 63.100 -0.823 0.000 0.811 387 P CB 0.046 31.037 31.700 -1.182 0.000 1.035 388 P HA 0.090 nan 4.420 nan 0.000 0.268 388 P C 0.887 178.069 177.300 -0.198 0.000 1.208 388 P CA 0.279 63.252 63.100 -0.211 0.000 0.777 388 P CB 0.225 31.831 31.700 -0.157 0.000 0.875 389 L N 1.356 122.493 121.223 -0.142 0.000 2.552 389 L HA -0.028 4.314 4.340 0.002 0.000 0.227 389 L C 1.705 178.521 176.870 -0.090 0.000 1.146 389 L CA 0.658 55.426 54.840 -0.121 0.000 0.858 389 L CB -0.796 41.209 42.059 -0.089 0.000 0.969 389 L HN 0.493 nan 8.230 nan 0.000 0.451 390 C N -1.592 117.663 119.300 -0.074 0.000 2.551 390 C HA 0.285 4.746 4.460 0.002 0.000 0.284 390 C C 1.203 176.155 174.990 -0.062 0.000 1.329 390 C CA -1.312 57.679 59.018 -0.044 0.000 1.683 390 C CB -1.882 25.853 27.740 -0.007 0.000 1.730 390 C HN 0.348 nan 8.230 nan 0.000 0.591 391 I N 3.369 123.876 120.570 -0.104 0.000 2.692 391 I HA 0.230 4.401 4.170 0.002 0.000 0.284 391 I C 0.999 177.072 176.117 -0.073 0.000 1.159 391 I CA 0.576 61.810 61.300 -0.108 0.000 1.423 391 I CB 1.210 39.102 38.000 -0.180 0.000 1.380 391 I HN 0.545 nan 8.210 nan 0.000 0.580 392 T N 2.819 117.352 114.554 -0.035 0.000 2.918 392 T HA 0.233 4.584 4.350 0.002 0.000 0.283 392 T C 0.909 175.600 174.700 -0.015 0.000 1.001 392 T CA -0.707 61.386 62.100 -0.012 0.000 1.041 392 T CB 1.584 70.465 68.868 0.022 0.000 1.028 392 T HN 0.746 nan 8.240 nan 0.000 0.511 393 K N 0.432 120.831 120.400 -0.002 0.000 2.103 393 K HA -0.191 4.130 4.320 0.002 0.000 0.207 393 K C 1.843 178.458 176.600 0.025 0.000 1.048 393 K CA 1.866 58.159 56.287 0.010 0.000 0.930 393 K CB -0.161 32.353 32.500 0.024 0.000 0.716 393 K HN 0.735 nan 8.250 nan 0.000 0.444 394 E N 0.496 120.718 120.200 0.037 0.000 2.077 394 E HA -0.186 4.165 4.350 0.002 0.000 0.193 394 E C 2.068 178.707 176.600 0.064 0.000 0.989 394 E CA 1.356 57.789 56.400 0.055 0.000 0.800 394 E CB -0.070 29.670 29.700 0.067 0.000 0.746 394 E HN 0.377 nan 8.360 nan 0.000 0.452 395 Q N 0.105 119.945 119.800 0.067 0.000 2.084 395 Q HA -0.068 4.273 4.340 0.002 0.000 0.202 395 Q C 2.183 178.120 176.000 -0.104 0.000 0.978 395 Q CA 0.946 56.790 55.803 0.068 0.000 0.844 395 Q CB -0.114 28.703 28.738 0.131 0.000 0.898 395 Q HN 0.292 nan 8.270 nan 0.000 0.426 396 L N 0.604 121.775 121.223 -0.086 0.000 2.201 396 L HA -0.193 4.149 4.340 0.002 0.000 0.212 396 L C 1.552 178.442 176.870 0.032 0.000 1.105 396 L CA 0.649 55.425 54.840 -0.106 0.000 0.775 396 L CB -0.219 41.752 42.059 -0.147 0.000 0.913 396 L HN 0.237 nan 8.230 nan 0.000 0.440 397 D N -0.213 120.212 120.400 0.042 0.000 2.097 397 D HA -0.219 4.422 4.640 0.002 0.000 0.197 397 D C 1.964 178.286 176.300 0.037 0.000 0.984 397 D CA 1.088 55.128 54.000 0.067 0.000 0.826 397 D CB 0.051 40.886 40.800 0.059 0.000 0.973 397 D HN 0.344 nan 8.370 nan 0.000 0.460 398 E N 0.016 120.222 120.200 0.010 0.000 2.077 398 E HA -0.163 4.189 4.350 0.002 0.000 0.193 398 E C 1.925 178.480 176.600 -0.075 0.000 0.989 398 E CA 1.000 57.406 56.400 0.010 0.000 0.800 398 E CB 0.044 29.797 29.700 0.088 0.000 0.746 398 E HN 0.179 nan 8.360 nan 0.000 0.452 399 C N 0.286 119.450 119.300 -0.228 0.000 2.435 399 C HA -0.062 4.400 4.460 0.002 0.000 0.279 399 C C 2.732 177.656 174.990 -0.110 0.000 1.321 399 C CA 1.179 59.993 59.018 -0.339 0.000 1.752 399 C CB -1.039 26.373 27.740 -0.548 0.000 1.959 399 C HN 0.556 nan 8.230 nan 0.000 0.500 400 T N 0.971 115.558 114.554 0.056 0.000 2.720 400 T HA -0.162 4.189 4.350 0.002 0.000 0.268 400 T C 1.709 176.438 174.700 0.049 0.000 1.037 400 T CA 1.379 63.539 62.100 0.100 0.000 1.144 400 T CB -0.284 68.659 68.868 0.124 0.000 0.864 400 T HN 0.620 nan 8.240 nan 0.000 0.444 401 E N 0.849 121.073 120.200 0.039 0.000 2.058 401 E HA -0.103 4.248 4.350 0.002 0.000 0.194 401 E C 2.292 178.926 176.600 0.057 0.000 0.997 401 E CA 1.019 57.446 56.400 0.045 0.000 0.801 401 E CB -0.408 29.318 29.700 0.043 0.000 0.746 401 E HN 0.521 nan 8.360 nan 0.000 0.450 402 I N 0.989 121.583 120.570 0.041 0.000 2.179 402 I HA -0.265 3.906 4.170 0.002 0.000 0.242 402 I C 2.565 178.779 176.117 0.163 0.000 1.088 402 I CA 0.983 62.327 61.300 0.074 0.000 1.357 402 I CB -0.303 37.712 38.000 0.026 0.000 1.051 402 I HN 0.030 nan 8.210 nan 0.000 0.409 403 I N 0.083 120.738 120.570 0.141 0.000 2.163 403 I HA -0.277 3.894 4.170 0.002 0.000 0.243 403 I C 2.532 178.806 176.117 0.262 0.000 1.085 403 I CA 1.282 62.766 61.300 0.306 0.000 1.347 403 I CB -0.427 37.660 38.000 0.145 0.000 1.044 403 I HN 0.035 nan 8.210 nan 0.000 0.408 404 V N 1.018 121.021 119.914 0.149 0.000 2.295 404 V HA -0.314 3.807 4.120 0.002 0.000 0.246 404 V C 2.544 178.714 176.094 0.127 0.000 1.049 404 V CA 2.079 64.451 62.300 0.120 0.000 1.024 404 V CB -0.732 31.135 31.823 0.073 0.000 0.648 404 V HN 0.438 nan 8.190 nan 0.000 0.447 405 K N -0.280 120.188 120.400 0.113 0.000 2.103 405 K HA -0.203 4.118 4.320 0.002 0.000 0.207 405 K C 2.075 178.745 176.600 0.117 0.000 1.048 405 K CA 2.029 58.375 56.287 0.099 0.000 0.930 405 K CB -0.220 32.323 32.500 0.073 0.000 0.716 405 K HN 0.525 nan 8.250 nan 0.000 0.444 406 T N 0.421 115.054 114.554 0.132 0.000 2.851 406 T HA -0.059 4.292 4.350 0.002 0.000 0.262 406 T C 1.864 176.681 174.700 0.194 0.000 1.043 406 T CA 1.151 63.297 62.100 0.076 0.000 1.140 406 T CB -0.030 68.764 68.868 -0.124 0.000 0.872 406 T HN -0.003 nan 8.240 nan 0.000 0.446 407 V N 1.759 121.801 119.914 0.214 0.000 2.343 407 V HA -0.171 3.951 4.120 0.002 0.000 0.247 407 V C 2.534 178.778 176.094 0.251 0.000 1.051 407 V CA 1.542 64.010 62.300 0.281 0.000 1.036 407 V CB -0.563 31.431 31.823 0.284 0.000 0.654 407 V HN 0.426 nan 8.190 nan 0.000 0.451 408 K N -0.434 120.075 120.400 0.182 0.000 2.059 408 K HA -0.281 4.040 4.320 0.002 0.000 0.212 408 K C 2.140 178.806 176.600 0.111 0.000 1.050 408 K CA 2.313 58.677 56.287 0.128 0.000 0.927 408 K CB -0.379 32.184 32.500 0.104 0.000 0.714 408 K HN 0.415 nan 8.250 nan 0.000 0.447 409 F N 0.711 120.642 119.950 -0.031 0.000 2.091 409 F HA -0.247 4.281 4.527 0.002 0.000 0.299 409 F C 1.691 177.346 175.800 -0.241 0.000 1.103 409 F CA 1.746 59.643 58.000 -0.172 0.000 1.228 409 F CB -0.473 38.352 39.000 -0.291 0.000 0.984 409 F HN -0.005 nan 8.300 nan 0.000 0.477 410 F N 0.563 120.462 119.950 -0.084 0.000 2.293 410 F HA -0.141 4.387 4.527 0.002 0.000 0.300 410 F C 2.314 178.026 175.800 -0.147 0.000 1.086 410 F CA 1.332 59.220 58.000 -0.187 0.000 1.375 410 F CB -0.698 38.257 39.000 -0.076 0.000 1.045 410 F HN -0.013 nan 8.300 nan 0.000 0.516 411 D N 0.208 120.654 120.400 0.076 0.000 2.103 411 D HA -0.140 4.501 4.640 0.002 0.000 0.199 411 D C 1.684 177.958 176.300 -0.043 0.000 0.978 411 D CA 1.288 55.311 54.000 0.038 0.000 0.829 411 D CB -0.432 40.405 40.800 0.062 0.000 0.981 411 D HN 0.179 nan 8.370 nan 0.000 0.464 412 D N 0.269 120.612 120.400 -0.096 0.000 2.263 412 D HA -0.072 4.569 4.640 0.002 0.000 0.208 412 D C 0.931 177.122 176.300 -0.183 0.000 0.971 412 D CA 0.707 54.633 54.000 -0.123 0.000 0.867 412 D CB -0.085 40.644 40.800 -0.118 0.000 0.929 412 D HN 0.176 nan 8.370 nan 0.000 0.492 413 N N 0.207 118.742 118.700 -0.274 0.000 2.238 413 N HA 0.074 4.815 4.740 0.002 0.000 0.235 413 N C -0.065 175.343 175.510 -0.171 0.000 1.209 413 N CA -0.141 52.734 53.050 -0.292 0.000 0.879 413 N CB 1.079 39.228 38.487 -0.563 0.000 1.136 413 N HN 0.108 nan 8.380 nan 0.000 0.517 414 L N 0.000 121.168 121.223 -0.091 0.000 2.949 414 L HA 0.000 4.341 4.340 0.002 0.000 0.249 414 L CA 0.000 54.821 54.840 -0.032 0.000 0.813 414 L CB 0.000 42.065 42.059 0.009 0.000 0.961 414 L HN 0.000 nan 8.230 nan 0.000 0.502