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 2f28_1_A DATA FIRST_RESID 5 DATA SEQUENCE PVLQKESVFQ SGAHAYRIPA LLYLPGQQSL LAFAEQRXXX XXXXXELIVL DATA SEQUENCE RRGDYDAPTH QVQWQAQEVV AQARLDGHRS MNPCPLYDAQ TGTLFLFFIA DATA SEQUENCE IPGQVTEQQQ LETRANVTRL CQVTSTDHGR TWSSPRDLTD AAIGPAYREW DATA SEQUENCE STFAVGPGHC LQLNDRARSL VVPAYAYRKL HPIQRPIPSA FCFLSHDHGR DATA SEQUENCE TWARGHFVAQ DTLECQVAEV EXXXQRVVTL NARSHLRARV QAQSTNDGLD DATA SEQUENCE FQESQLVKKL VEPPPQGCQG SVISFPSPRX XXXSPAQWLL YTHPTHSWQR DATA SEQUENCE ADLGAYLNPR PPAPEAWSEP VLLAKGSCAY SDLQSMGTGP DGSPLFGCLY DATA SEQUENCE EANDYEEIVF LMFTLKQAFP AEY 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.301 177.300 0.002 0.000 1.155 5 P CA 0.000 63.086 63.100 -0.024 0.000 0.800 5 P CB 0.000 31.694 31.700 -0.009 0.000 0.726 6 V N -0.996 118.939 119.914 0.034 0.000 3.102 6 V HA 0.534 4.654 4.120 -0.000 0.000 0.312 6 V C 0.894 177.056 176.094 0.113 0.000 1.135 6 V CA -0.926 61.431 62.300 0.094 0.000 1.022 6 V CB 1.983 33.857 31.823 0.086 0.000 1.056 6 V HN 0.496 nan 8.190 nan 0.000 0.436 7 L N -0.041 121.273 121.223 0.152 0.000 2.249 7 L HA 0.355 4.694 4.340 -0.000 0.000 0.207 7 L C 1.063 178.033 176.870 0.167 0.000 1.090 7 L CA 1.036 55.987 54.840 0.185 0.000 0.802 7 L CB 0.066 42.263 42.059 0.231 0.000 0.947 7 L HN 0.914 nan 8.230 nan 0.000 0.453 8 Q N 0.069 119.954 119.800 0.142 0.000 2.352 8 Q HA 0.306 4.646 4.340 -0.000 0.000 0.270 8 Q C -1.448 174.617 176.000 0.107 0.000 1.006 8 Q CA -0.628 55.265 55.803 0.149 0.000 0.880 8 Q CB 2.264 31.153 28.738 0.251 0.000 1.392 8 Q HN -0.087 nan 8.270 nan 0.000 0.401 9 K N 2.881 123.354 120.400 0.121 0.000 2.637 9 K HA 0.369 4.689 4.320 -0.000 0.000 0.248 9 K C -1.893 174.778 176.600 0.117 0.000 0.971 9 K CA -0.214 56.134 56.287 0.101 0.000 0.858 9 K CB 1.604 34.150 32.500 0.077 0.000 1.170 9 K HN 0.661 nan 8.250 nan 0.000 0.443 10 E N 2.368 122.656 120.200 0.147 0.000 2.308 10 E HA 0.256 4.606 4.350 -0.000 0.000 0.275 10 E C -1.357 175.238 176.600 -0.009 0.000 0.890 10 E CA -0.679 55.781 56.400 0.099 0.000 0.754 10 E CB 1.845 31.662 29.700 0.194 0.000 1.207 10 E HN 0.474 nan 8.360 nan 0.000 0.426 11 S N 2.530 118.187 115.700 -0.072 0.000 2.455 11 S HA 0.076 4.546 4.470 -0.000 0.000 0.278 11 S C 1.030 175.475 174.600 -0.258 0.000 1.216 11 S CA -0.414 57.700 58.200 -0.144 0.000 1.055 11 S CB 0.836 63.974 63.200 -0.104 0.000 0.939 11 S HN 0.481 nan 8.310 nan 0.000 0.494 12 V N 0.402 120.064 119.914 -0.419 0.000 3.590 12 V HA 0.470 4.589 4.120 -0.000 0.000 0.265 12 V C -0.244 175.229 176.094 -1.035 0.000 1.239 12 V CA 0.406 62.225 62.300 -0.802 0.000 1.117 12 V CB -0.706 30.366 31.823 -1.251 0.000 0.818 12 V HN 0.571 nan 8.190 nan 0.000 0.451 13 F N 0.443 120.178 119.950 -0.358 0.000 2.574 13 F HA 0.769 5.296 4.527 -0.000 0.000 0.313 13 F C -0.280 175.391 175.800 -0.215 0.000 1.130 13 F CA -0.720 57.005 58.000 -0.459 0.000 0.936 13 F CB 2.179 40.842 39.000 -0.561 0.000 1.219 13 F HN -0.032 nan 8.300 nan 0.000 0.445 14 Q N 1.480 121.327 119.800 0.080 0.000 2.345 14 Q HA 0.706 5.046 4.340 -0.000 0.000 0.275 14 Q C -1.333 174.827 176.000 0.267 0.000 1.063 14 Q CA -1.099 54.789 55.803 0.142 0.000 0.819 14 Q CB 2.926 31.683 28.738 0.031 0.000 1.356 14 Q HN 0.545 nan 8.270 nan 0.000 0.418 15 S N 0.034 115.829 115.700 0.157 0.000 2.616 15 S HA 0.378 4.848 4.470 -0.000 0.000 0.276 15 S C 0.358 174.906 174.600 -0.087 0.000 1.159 15 S CA -0.006 58.231 58.200 0.062 0.000 1.000 15 S CB 0.800 64.013 63.200 0.022 0.000 1.117 15 S HN 0.838 nan 8.310 nan 0.000 0.464 16 G N 2.647 111.390 108.800 -0.094 0.000 2.509 16 G HA2 0.140 4.100 3.960 -0.000 0.000 0.218 16 G HA3 0.140 4.100 3.960 -0.000 0.000 0.218 16 G C 1.068 175.818 174.900 -0.250 0.000 1.124 16 G CA 0.676 45.675 45.100 -0.168 0.000 0.776 16 G HN 1.105 nan 8.290 nan 0.000 0.547 17 A N -0.001 122.738 122.820 -0.134 0.000 2.379 17 A HA 0.420 4.740 4.320 -0.000 0.000 0.236 17 A C 0.748 178.417 177.584 0.142 0.000 1.272 17 A CA 0.260 52.310 52.037 0.022 0.000 0.886 17 A CB -0.411 18.591 19.000 0.004 0.000 0.962 17 A HN 0.535 nan 8.150 nan 0.000 0.504 18 H N -2.532 116.529 119.070 -0.016 0.000 2.770 18 H HA -0.236 4.320 4.556 -0.000 0.000 0.309 18 H C 1.284 176.555 175.328 -0.096 0.000 1.206 18 H CA 0.580 56.624 56.048 -0.007 0.000 1.147 18 H CB -1.917 27.846 29.762 0.003 0.000 1.422 18 H HN 0.555 nan 8.280 nan 0.000 0.420 19 A N -1.045 121.700 122.820 -0.126 0.000 2.014 19 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 19 A C 0.320 177.608 177.584 -0.493 0.000 1.163 19 A CA 0.846 52.666 52.037 -0.361 0.000 0.652 19 A CB 0.128 18.782 19.000 -0.576 0.000 0.808 19 A HN 0.365 nan 8.150 nan 0.000 0.449 20 Y N -0.295 119.987 120.300 -0.031 0.000 2.331 20 Y HA 0.696 5.246 4.550 -0.000 0.000 0.338 20 Y C 0.630 176.484 175.900 -0.075 0.000 0.992 20 Y CA -0.657 57.380 58.100 -0.104 0.000 1.121 20 Y CB 1.091 39.471 38.460 -0.132 0.000 1.184 20 Y HN 0.124 nan 8.280 nan 0.000 0.469 21 R N 1.772 122.289 120.500 0.028 0.000 2.766 21 R HA 0.521 4.861 4.340 -0.000 0.000 0.270 21 R C -1.338 174.947 176.300 -0.025 0.000 1.035 21 R CA -1.137 54.961 56.100 -0.003 0.000 0.911 21 R CB 1.964 32.221 30.300 -0.072 0.000 1.243 21 R HN 0.579 nan 8.270 nan 0.000 0.460 22 I N 0.511 121.068 120.570 -0.022 0.000 7.356 22 I HA -0.142 4.028 4.170 -0.000 0.000 0.126 22 I C -2.305 173.888 176.117 0.127 0.000 1.829 22 I CA -0.087 61.257 61.300 0.073 0.000 2.068 22 I CB -2.031 36.004 38.000 0.059 0.000 3.620 22 I HN 0.487 nan 8.210 nan 0.000 0.179 23 P HA 0.484 nan 4.420 nan 0.000 0.275 23 P C -0.388 177.076 177.300 0.274 0.000 1.228 23 P CA -0.110 63.111 63.100 0.200 0.000 0.786 23 P CB 2.086 33.919 31.700 0.221 0.000 0.927 24 A N 2.964 125.981 122.820 0.328 0.000 2.427 24 A HA 0.624 4.944 4.320 -0.000 0.000 0.298 24 A C -1.607 176.277 177.584 0.499 0.000 1.036 24 A CA -0.618 51.655 52.037 0.394 0.000 0.701 24 A CB 1.150 20.352 19.000 0.336 0.000 1.250 24 A HN 0.502 nan 8.150 nan 0.000 0.412 25 L N 2.198 123.707 121.223 0.477 0.000 2.365 25 L HA 0.891 5.231 4.340 -0.000 0.000 0.273 25 L C -1.496 175.657 176.870 0.471 0.000 1.000 25 L CA -0.725 54.396 54.840 0.468 0.000 0.819 25 L CB 1.824 44.134 42.059 0.419 0.000 1.284 25 L HN 0.728 nan 8.230 nan 0.000 0.418 26 L N 4.687 126.196 121.223 0.475 0.000 2.438 26 L HA 0.493 4.833 4.340 -0.000 0.000 0.270 26 L C -1.821 175.267 176.870 0.364 0.000 0.972 26 L CA -0.314 54.795 54.840 0.447 0.000 0.831 26 L CB 1.621 44.007 42.059 0.546 0.000 1.273 26 L HN 0.604 nan 8.230 nan 0.000 0.405 27 Y N 5.249 125.650 120.300 0.168 0.000 2.320 27 Y HA 0.647 5.197 4.550 -0.000 0.000 0.334 27 Y C -1.125 174.747 175.900 -0.046 0.000 1.055 27 Y CA -0.778 57.354 58.100 0.054 0.000 1.143 27 Y CB 1.168 39.641 38.460 0.022 0.000 1.193 27 Y HN 0.541 nan 8.280 nan 0.000 0.477 28 L N 9.527 130.297 121.223 -0.755 0.000 2.276 28 L HA 0.329 4.669 4.340 -0.000 0.000 0.286 28 L C -1.598 174.583 176.870 -1.148 0.000 1.024 28 L CA -1.793 52.567 54.840 -0.801 0.000 0.826 28 L CB 1.598 43.384 42.059 -0.455 0.000 1.211 28 L HN 0.572 nan 8.230 nan 0.000 0.422 29 P HA -0.120 nan 4.420 nan 0.000 0.218 29 P C 1.269 178.390 177.300 -0.299 0.000 1.149 29 P CA 1.220 64.026 63.100 -0.489 0.000 0.817 29 P CB 0.484 32.096 31.700 -0.146 0.000 0.785 30 G N 0.088 108.714 108.800 -0.290 0.000 2.395 30 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 30 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 30 G C 1.671 176.439 174.900 -0.220 0.000 1.177 30 G CA 0.342 45.341 45.100 -0.169 0.000 0.794 30 G HN 0.185 nan 8.290 nan 0.000 0.532 31 Q N -0.091 119.508 119.800 -0.334 0.000 2.297 31 Q HA 0.010 4.350 4.340 -0.000 0.000 0.204 31 Q C 0.593 176.441 176.000 -0.254 0.000 0.962 31 Q CA 0.399 56.004 55.803 -0.331 0.000 0.879 31 Q CB -0.047 28.439 28.738 -0.420 0.000 0.947 31 Q HN 0.641 nan 8.270 nan 0.000 0.462 32 Q N 0.350 119.954 119.800 -0.327 0.000 2.460 32 Q HA -0.120 4.220 4.340 -0.000 0.000 0.311 32 Q C -0.845 175.081 176.000 -0.123 0.000 1.396 32 Q CA 0.313 56.004 55.803 -0.187 0.000 0.838 32 Q CB -1.587 27.176 28.738 0.042 0.000 1.140 32 Q HN 0.135 nan 8.270 nan 0.000 0.415 33 S N -0.350 115.167 115.700 -0.304 0.000 2.661 33 S HA 0.838 5.308 4.470 -0.000 0.000 0.285 33 S C -0.522 173.992 174.600 -0.143 0.000 1.138 33 S CA -0.884 57.203 58.200 -0.187 0.000 0.855 33 S CB 1.900 64.982 63.200 -0.197 0.000 1.136 33 S HN 0.304 nan 8.310 nan 0.000 0.484 34 L N 1.311 122.464 121.223 -0.117 0.000 2.354 34 L HA 0.626 4.966 4.340 -0.000 0.000 0.269 34 L C -1.344 175.568 176.870 0.070 0.000 1.005 34 L CA -0.728 54.128 54.840 0.027 0.000 0.819 34 L CB 1.450 43.517 42.059 0.014 0.000 1.311 34 L HN 0.379 nan 8.230 nan 0.000 0.423 35 L N 2.432 123.760 121.223 0.175 0.000 2.319 35 L HA 0.641 4.980 4.340 -0.000 0.000 0.281 35 L C -0.294 176.606 176.870 0.050 0.000 1.005 35 L CA -0.526 54.347 54.840 0.055 0.000 0.828 35 L CB 1.829 43.936 42.059 0.081 0.000 1.227 35 L HN 0.655 nan 8.230 nan 0.000 0.415 36 A N 4.355 127.177 122.820 0.003 0.000 2.258 36 A HA 0.770 5.090 4.320 -0.000 0.000 0.316 36 A C -0.964 176.605 177.584 -0.025 0.000 1.279 36 A CA -0.264 51.813 52.037 0.067 0.000 0.876 36 A CB 0.196 19.130 19.000 -0.110 0.000 1.170 36 A HN 0.511 nan 8.150 nan 0.000 0.520 37 F N 1.492 121.571 119.950 0.216 0.000 2.483 37 F HA 0.789 5.316 4.527 -0.000 0.000 0.329 37 F C 0.667 176.431 175.800 -0.060 0.000 1.064 37 F CA 0.061 58.116 58.000 0.091 0.000 0.986 37 F CB 2.237 41.280 39.000 0.072 0.000 1.218 37 F HN 0.763 nan 8.300 nan 0.000 0.484 38 A N 0.934 123.733 122.820 -0.035 0.000 2.601 38 A HA 0.565 4.885 4.320 -0.000 0.000 0.291 38 A C -1.467 176.040 177.584 -0.128 0.000 1.075 38 A CA -0.891 51.006 52.037 -0.234 0.000 0.671 38 A CB 1.181 19.669 19.000 -0.853 0.000 1.277 38 A HN 0.703 nan 8.150 nan 0.000 0.417 39 E N 0.557 120.710 120.200 -0.077 0.000 2.266 39 E HA 0.414 4.764 4.350 -0.000 0.000 0.277 39 E C -0.648 175.929 176.600 -0.039 0.000 1.018 39 E CA -0.357 56.014 56.400 -0.048 0.000 0.840 39 E CB 1.416 31.092 29.700 -0.040 0.000 1.082 39 E HN 0.498 nan 8.360 nan 0.000 0.395 40 Q N 3.694 123.462 119.800 -0.053 0.000 2.339 40 Q HA 0.223 4.563 4.340 -0.000 0.000 0.268 40 Q C -0.760 175.146 176.000 -0.156 0.000 1.027 40 Q CA -0.748 54.971 55.803 -0.140 0.000 0.759 40 Q CB 1.025 29.747 28.738 -0.026 0.000 1.244 40 Q HN 0.555 nan 8.270 nan 0.000 0.464 51 L N 1.040 122.230 121.223 -0.055 0.000 2.277 51 L HA 0.730 5.070 4.340 -0.000 0.000 0.254 51 L C -0.966 175.855 176.870 -0.082 0.000 1.044 51 L CA -0.908 53.887 54.840 -0.076 0.000 0.842 51 L CB 0.934 42.957 42.059 -0.060 0.000 1.422 51 L HN 0.517 nan 8.230 nan 0.000 0.422 52 I N 1.857 122.352 120.570 -0.126 0.000 2.359 52 I HA 0.601 4.771 4.170 -0.000 0.000 0.294 52 I C -0.143 175.956 176.117 -0.031 0.000 0.987 52 I CA -0.993 60.250 61.300 -0.094 0.000 1.225 52 I CB 1.808 39.697 38.000 -0.184 0.000 1.366 52 I HN 0.634 nan 8.210 nan 0.000 0.466 53 V N 4.814 124.738 119.914 0.017 0.000 2.994 53 V HA 0.775 4.895 4.120 -0.000 0.000 0.318 53 V C -0.797 175.354 176.094 0.096 0.000 1.085 53 V CA -0.803 61.535 62.300 0.062 0.000 0.998 53 V CB 2.075 33.963 31.823 0.108 0.000 1.063 53 V HN 0.610 nan 8.190 nan 0.000 0.447 54 L N 1.546 122.830 121.223 0.101 0.000 2.466 54 L HA 0.772 5.112 4.340 -0.000 0.000 0.258 54 L C -0.780 176.116 176.870 0.044 0.000 0.973 54 L CA -0.492 54.346 54.840 -0.004 0.000 0.826 54 L CB 2.313 44.286 42.059 -0.142 0.000 1.372 54 L HN 0.849 nan 8.230 nan 0.000 0.409 55 R N 3.301 123.800 120.500 -0.001 0.000 2.532 55 R HA 0.538 4.878 4.340 -0.000 0.000 0.297 55 R C -1.044 175.343 176.300 0.145 0.000 0.984 55 R CA -0.873 55.232 56.100 0.008 0.000 0.884 55 R CB 2.445 32.611 30.300 -0.224 0.000 1.182 55 R HN 0.639 nan 8.270 nan 0.000 0.442 56 R N 0.949 121.530 120.500 0.134 0.000 2.486 56 R HA 0.573 4.913 4.340 -0.000 0.000 0.286 56 R C -0.685 175.623 176.300 0.012 0.000 0.999 56 R CA -0.364 55.785 56.100 0.081 0.000 0.993 56 R CB 1.628 31.944 30.300 0.027 0.000 1.084 56 R HN 0.814 nan 8.270 nan 0.000 0.487 57 G N 2.936 111.574 108.800 -0.271 0.000 2.739 57 G HA2 0.208 4.168 3.960 -0.000 0.000 0.292 57 G HA3 0.208 4.168 3.960 -0.000 0.000 0.292 57 G C -1.567 173.017 174.900 -0.528 0.000 1.444 57 G CA -0.604 44.100 45.100 -0.660 0.000 1.144 57 G HN 0.543 nan 8.290 nan 0.000 0.550 58 D N 0.653 120.837 120.400 -0.361 0.000 2.210 58 D HA 0.203 4.843 4.640 -0.000 0.000 0.249 58 D C -0.552 175.638 176.300 -0.183 0.000 1.062 58 D CA -0.024 53.841 54.000 -0.224 0.000 0.891 58 D CB 2.017 42.718 40.800 -0.165 0.000 1.186 58 D HN 0.349 nan 8.370 nan 0.000 0.432 59 Y N 1.458 121.646 120.300 -0.186 0.000 2.486 59 Y HA 0.118 4.668 4.550 -0.000 0.000 0.348 59 Y C -0.176 175.666 175.900 -0.096 0.000 1.000 59 Y CA -0.665 57.363 58.100 -0.120 0.000 1.253 59 Y CB 0.368 38.817 38.460 -0.019 0.000 1.140 59 Y HN 0.181 nan 8.280 nan 0.000 0.526 60 D N 5.345 125.463 120.400 -0.470 0.000 2.422 60 D HA 0.346 4.986 4.640 -0.000 0.000 0.227 60 D C 0.903 176.814 176.300 -0.649 0.000 1.190 60 D CA 0.476 54.222 54.000 -0.422 0.000 0.905 60 D CB 0.930 41.557 40.800 -0.288 0.000 1.034 60 D HN 0.744 nan 8.370 nan 0.000 0.507 61 A N 5.265 127.743 122.820 -0.571 0.000 1.892 61 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 61 A C -0.251 177.205 177.584 -0.213 0.000 1.188 61 A CA 1.060 52.834 52.037 -0.440 0.000 0.631 61 A CB -1.372 17.554 19.000 -0.123 0.000 0.822 61 A HN 0.558 nan 8.150 nan 0.000 0.447 62 P HA -0.125 nan 4.420 nan 0.000 0.217 62 P C 1.280 178.543 177.300 -0.061 0.000 1.148 62 P CA 2.057 65.110 63.100 -0.078 0.000 0.828 62 P CB -0.110 31.540 31.700 -0.083 0.000 0.783 63 T N -5.595 108.860 114.554 -0.166 0.000 3.044 63 T HA 0.032 4.382 4.350 -0.000 0.000 0.260 63 T C 0.555 174.891 174.700 -0.606 0.000 1.019 63 T CA -0.259 61.672 62.100 -0.283 0.000 0.921 63 T CB -1.015 67.693 68.868 -0.266 0.000 1.053 63 T HN 0.328 nan 8.240 nan 0.000 0.533 64 H N 1.331 120.249 119.070 -0.254 0.000 2.527 64 H HA -0.136 4.420 4.556 -0.000 0.000 0.321 64 H C -1.196 174.097 175.328 -0.057 0.000 1.092 64 H CA 0.581 56.492 56.048 -0.227 0.000 1.118 64 H CB -2.423 27.354 29.762 0.024 0.000 1.536 64 H HN 0.474 nan 8.280 nan 0.000 0.407 65 Q N 0.187 119.845 119.800 -0.237 0.000 2.389 65 Q HA 0.566 4.905 4.340 -0.000 0.000 0.277 65 Q C -0.192 175.754 176.000 -0.091 0.000 1.082 65 Q CA -1.050 54.706 55.803 -0.077 0.000 0.810 65 Q CB 3.224 31.880 28.738 -0.138 0.000 1.374 65 Q HN 0.184 nan 8.270 nan 0.000 0.422 66 V N 2.283 122.183 119.914 -0.023 0.000 2.432 66 V HA 0.178 4.298 4.120 -0.000 0.000 0.275 66 V C -0.037 175.774 176.094 -0.470 0.000 1.043 66 V CA -0.335 61.774 62.300 -0.319 0.000 0.925 66 V CB 1.220 32.673 31.823 -0.617 0.000 0.985 66 V HN 0.600 nan 8.190 nan 0.000 0.466 67 Q N 4.585 124.119 119.800 -0.444 0.000 2.456 67 Q HA 0.235 4.575 4.340 -0.000 0.000 0.234 67 Q C -1.081 174.712 176.000 -0.345 0.000 1.061 67 Q CA -0.196 55.427 55.803 -0.299 0.000 0.896 67 Q CB 0.749 29.370 28.738 -0.194 0.000 1.233 67 Q HN 0.704 nan 8.270 nan 0.000 0.506 68 W N 2.634 123.852 121.300 -0.137 0.000 2.303 68 W HA 0.069 4.729 4.660 -0.000 0.000 0.318 68 W C 0.697 177.130 176.519 -0.143 0.000 1.362 68 W CA -0.246 56.993 57.345 -0.175 0.000 1.234 68 W CB 0.473 29.795 29.460 -0.230 0.000 1.248 68 W HN 0.426 nan 8.180 nan 0.000 0.546 69 Q N 2.226 122.089 119.800 0.105 0.000 2.171 69 Q HA 0.611 4.951 4.340 -0.000 0.000 0.217 69 Q C 0.170 176.186 176.000 0.027 0.000 0.995 69 Q CA -1.034 54.791 55.803 0.036 0.000 0.979 69 Q CB 0.624 29.367 28.738 0.009 0.000 1.152 69 Q HN 0.589 nan 8.270 nan 0.000 0.525 70 A N 0.975 123.798 122.820 0.006 0.000 2.498 70 A HA -0.023 4.297 4.320 -0.000 0.000 0.239 70 A C -0.030 177.551 177.584 -0.005 0.000 1.068 70 A CA 0.021 52.054 52.037 -0.007 0.000 0.766 70 A CB 0.071 19.073 19.000 0.002 0.000 1.003 70 A HN 0.649 nan 8.150 nan 0.000 0.497 71 Q N 0.960 120.745 119.800 -0.025 0.000 2.364 71 Q HA 0.303 4.643 4.340 -0.000 0.000 0.267 71 Q C -0.180 175.850 176.000 0.050 0.000 0.999 71 Q CA 0.354 56.161 55.803 0.007 0.000 0.886 71 Q CB 0.354 29.098 28.738 0.010 0.000 1.243 71 Q HN 0.806 nan 8.270 nan 0.000 0.415 72 E N 1.111 121.355 120.200 0.073 0.000 2.356 72 E HA 0.426 4.775 4.350 -0.000 0.000 0.275 72 E C -1.391 175.257 176.600 0.079 0.000 0.904 72 E CA -1.008 55.437 56.400 0.075 0.000 0.757 72 E CB 1.455 31.202 29.700 0.077 0.000 1.232 72 E HN 0.338 nan 8.360 nan 0.000 0.442 73 V N 2.030 121.982 119.914 0.065 0.000 2.583 73 V HA 0.065 4.185 4.120 -0.000 0.000 0.287 73 V C 0.187 176.292 176.094 0.017 0.000 1.051 73 V CA -0.620 61.704 62.300 0.039 0.000 1.010 73 V CB 1.415 33.255 31.823 0.028 0.000 0.988 73 V HN 0.587 nan 8.190 nan 0.000 0.478 74 V N 5.881 125.771 119.914 -0.040 0.000 2.153 74 V HA 0.126 4.246 4.120 -0.000 0.000 0.250 74 V C 1.494 177.509 176.094 -0.131 0.000 1.334 74 V CA 0.578 62.801 62.300 -0.127 0.000 1.249 74 V CB -0.250 31.395 31.823 -0.298 0.000 1.371 74 V HN 1.089 nan 8.190 nan 0.000 0.498 75 A N 2.943 125.739 122.820 -0.039 0.000 1.948 75 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 75 A C 2.141 179.704 177.584 -0.035 0.000 1.177 75 A CA 1.535 53.557 52.037 -0.024 0.000 0.636 75 A CB -0.205 18.807 19.000 0.021 0.000 0.815 75 A HN 0.651 nan 8.150 nan 0.000 0.449 76 Q N -0.691 119.098 119.800 -0.018 0.000 2.230 76 Q HA 0.031 4.371 4.340 -0.000 0.000 0.202 76 Q C 1.426 177.395 176.000 -0.053 0.000 0.963 76 Q CA 0.994 56.805 55.803 0.014 0.000 0.866 76 Q CB -0.539 28.266 28.738 0.111 0.000 0.931 76 Q HN 0.611 nan 8.270 nan 0.000 0.452 77 A N 2.436 125.102 122.820 -0.256 0.000 3.051 77 A HA 0.257 4.577 4.320 -0.000 0.000 0.257 77 A C -0.058 177.100 177.584 -0.710 0.000 1.785 77 A CA -0.230 51.412 52.037 -0.658 0.000 1.420 77 A CB -0.825 17.597 19.000 -0.964 0.000 1.063 77 A HN 0.267 nan 8.150 nan 0.000 0.630 78 R N -1.031 119.382 120.500 -0.145 0.000 2.753 78 R HA 0.610 4.950 4.340 -0.000 0.000 0.272 78 R C -1.962 174.411 176.300 0.122 0.000 1.034 78 R CA -0.687 55.422 56.100 0.015 0.000 0.869 78 R CB 0.234 30.500 30.300 -0.055 0.000 1.264 78 R HN 0.064 nan 8.270 nan 0.000 0.481 79 L N 1.466 122.757 121.223 0.114 0.000 2.334 79 L HA 0.512 4.852 4.340 -0.000 0.000 0.276 79 L C -0.586 176.349 176.870 0.108 0.000 1.014 79 L CA -1.348 53.505 54.840 0.023 0.000 0.815 79 L CB 1.885 43.794 42.059 -0.250 0.000 1.268 79 L HN 0.642 nan 8.230 nan 0.000 0.428 80 D N 2.195 122.656 120.400 0.101 0.000 2.533 80 D HA 0.156 4.796 4.640 -0.000 0.000 0.236 80 D C 1.174 177.619 176.300 0.242 0.000 1.137 80 D CA 1.454 55.532 54.000 0.130 0.000 0.867 80 D CB 0.790 41.643 40.800 0.090 0.000 1.170 80 D HN 0.850 nan 8.370 nan 0.000 0.474 81 G N 1.520 110.413 108.800 0.156 0.000 2.153 81 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 81 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 81 G C 0.003 174.917 174.900 0.023 0.000 0.994 81 G CA 0.467 45.621 45.100 0.090 0.000 0.698 81 G HN 0.673 nan 8.290 nan 0.000 0.521 82 H N -0.906 118.182 119.070 0.030 0.000 2.731 82 H HA 0.729 5.284 4.556 -0.000 0.000 0.368 82 H C 0.475 175.821 175.328 0.029 0.000 1.168 82 H CA -0.767 55.303 56.048 0.037 0.000 1.181 82 H CB 0.990 30.790 29.762 0.063 0.000 1.743 82 H HN 0.272 nan 8.280 nan 0.000 0.547 83 R N 1.039 121.619 120.500 0.134 0.000 2.368 83 R HA 0.526 4.866 4.340 -0.000 0.000 0.302 83 R C -0.627 175.735 176.300 0.104 0.000 1.002 83 R CA -0.632 55.511 56.100 0.071 0.000 0.929 83 R CB 1.420 31.734 30.300 0.023 0.000 1.073 83 R HN 0.478 nan 8.270 nan 0.000 0.464 84 S N 4.051 119.783 115.700 0.054 0.000 2.489 84 S HA 0.605 5.074 4.470 -0.000 0.000 0.291 84 S C 0.011 174.632 174.600 0.035 0.000 1.151 84 S CA -0.743 57.493 58.200 0.061 0.000 1.082 84 S CB 1.113 64.225 63.200 -0.148 0.000 1.019 84 S HN 0.551 nan 8.310 nan 0.000 0.492 85 M N 0.727 120.388 119.600 0.102 0.000 2.813 85 M HA 0.620 5.100 4.480 -0.000 0.000 0.270 85 M C -1.353 175.015 176.300 0.114 0.000 1.267 85 M CA -0.911 54.431 55.300 0.070 0.000 0.822 85 M CB 0.948 33.578 32.600 0.050 0.000 1.671 85 M HN 0.398 nan 8.290 nan 0.000 0.468 86 N N 0.323 119.082 118.700 0.099 0.000 2.681 86 N HA -0.089 4.651 4.740 -0.000 0.000 0.259 86 N C -2.698 172.891 175.510 0.131 0.000 1.066 86 N CA 0.683 53.810 53.050 0.129 0.000 0.717 86 N CB -1.266 37.299 38.487 0.131 0.000 0.885 86 N HN 0.555 nan 8.380 nan 0.000 0.547 87 P HA 0.069 nan 4.420 nan 0.000 0.267 87 P C -0.195 177.132 177.300 0.044 0.000 1.205 87 P CA 0.149 63.244 63.100 -0.008 0.000 0.765 87 P CB 1.002 32.650 31.700 -0.087 0.000 0.828 88 C N 7.103 126.444 119.300 0.068 0.000 2.978 88 C HA 0.420 4.880 4.460 -0.000 0.000 0.274 88 C C -2.572 172.559 174.990 0.235 0.000 1.087 88 C CA -2.222 56.901 59.018 0.176 0.000 1.453 88 C CB 0.614 28.488 27.740 0.223 0.000 1.838 88 C HN 0.472 nan 8.230 nan 0.000 0.470 89 P HA 0.557 nan 4.420 nan 0.000 0.284 89 P C -1.205 176.351 177.300 0.426 0.000 1.258 89 P CA -0.417 62.829 63.100 0.244 0.000 0.824 89 P CB 2.107 33.915 31.700 0.180 0.000 1.038 90 L N 2.559 124.073 121.223 0.485 0.000 2.506 90 L HA 0.525 4.865 4.340 -0.000 0.000 0.257 90 L C -1.854 175.352 176.870 0.561 0.000 0.964 90 L CA -1.102 54.045 54.840 0.511 0.000 0.836 90 L CB 2.233 44.586 42.059 0.491 0.000 1.384 90 L HN 0.309 nan 8.230 nan 0.000 0.410 91 Y N 3.576 124.103 120.300 0.379 0.000 2.328 91 Y HA 0.423 4.973 4.550 -0.000 0.000 0.337 91 Y C -0.810 175.281 175.900 0.319 0.000 0.966 91 Y CA -0.559 57.739 58.100 0.330 0.000 1.136 91 Y CB 1.265 39.878 38.460 0.255 0.000 1.170 91 Y HN 0.590 nan 8.280 nan 0.000 0.470 92 D N 5.176 125.461 120.400 -0.192 0.000 2.380 92 D HA 0.252 4.892 4.640 -0.000 0.000 0.230 92 D C 0.683 176.609 176.300 -0.623 0.000 1.154 92 D CA 0.360 54.261 54.000 -0.165 0.000 0.859 92 D CB 1.631 42.551 40.800 0.201 0.000 1.045 92 D HN 0.870 nan 8.370 nan 0.000 0.495 93 A N 3.937 126.466 122.820 -0.486 0.000 2.070 93 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 93 A C 1.859 179.383 177.584 -0.100 0.000 1.159 93 A CA 1.315 53.168 52.037 -0.306 0.000 0.656 93 A CB -0.175 18.858 19.000 0.054 0.000 0.800 93 A HN 0.548 nan 8.150 nan 0.000 0.453 94 Q N 0.162 119.932 119.800 -0.050 0.000 2.096 94 Q HA -0.089 4.251 4.340 -0.000 0.000 0.197 94 Q C 1.955 177.902 176.000 -0.088 0.000 0.964 94 Q CA 2.632 58.422 55.803 -0.023 0.000 0.838 94 Q CB -0.507 28.259 28.738 0.046 0.000 0.906 94 Q HN 0.632 nan 8.270 nan 0.000 0.444 95 T N -5.175 109.299 114.554 -0.134 0.000 3.000 95 T HA 0.388 4.738 4.350 -0.000 0.000 0.248 95 T C 1.422 176.077 174.700 -0.075 0.000 1.034 95 T CA 0.571 62.599 62.100 -0.121 0.000 1.060 95 T CB 0.352 69.129 68.868 -0.151 0.000 0.983 95 T HN 0.489 nan 8.240 nan 0.000 0.482 96 G N 1.171 109.904 108.800 -0.110 0.000 2.176 96 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.253 96 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.253 96 G C 0.228 175.143 174.900 0.026 0.000 0.979 96 G CA 0.188 45.290 45.100 0.004 0.000 0.641 96 G HN 0.746 nan 8.290 nan 0.000 0.530 97 T N 1.876 116.405 114.554 -0.042 0.000 2.919 97 T HA 0.536 4.886 4.350 -0.000 0.000 0.302 97 T C 0.675 175.395 174.700 0.033 0.000 1.031 97 T CA 0.122 62.177 62.100 -0.075 0.000 1.127 97 T CB 1.204 69.973 68.868 -0.166 0.000 0.952 97 T HN 0.338 nan 8.240 nan 0.000 0.540 98 L N 3.008 124.221 121.223 -0.016 0.000 2.322 98 L HA 0.582 4.922 4.340 -0.000 0.000 0.279 98 L C -0.709 176.215 176.870 0.089 0.000 1.036 98 L CA -0.769 54.190 54.840 0.197 0.000 0.807 98 L CB 0.951 43.145 42.059 0.225 0.000 1.226 98 L HN 0.574 nan 8.230 nan 0.000 0.433 99 F N 3.089 123.171 119.950 0.219 0.000 2.482 99 F HA 0.466 4.993 4.527 -0.000 0.000 0.331 99 F C -0.283 175.508 175.800 -0.014 0.000 1.115 99 F CA -0.688 57.321 58.000 0.014 0.000 0.955 99 F CB 2.024 40.915 39.000 -0.182 0.000 1.136 99 F HN 0.191 nan 8.300 nan 0.000 0.452 100 L N 5.178 126.413 121.223 0.021 0.000 2.353 100 L HA 0.558 4.898 4.340 -0.000 0.000 0.270 100 L C -1.509 175.308 176.870 -0.087 0.000 1.003 100 L CA -0.372 54.398 54.840 -0.116 0.000 0.862 100 L CB -0.069 41.746 42.059 -0.405 0.000 1.221 100 L HN 0.325 nan 8.230 nan 0.000 0.430 101 F N 5.520 125.554 119.950 0.140 0.000 2.375 101 F HA 0.667 5.194 4.527 -0.000 0.000 0.333 101 F C 0.197 176.079 175.800 0.137 0.000 1.104 101 F CA 0.011 58.052 58.000 0.069 0.000 1.149 101 F CB 1.027 40.022 39.000 -0.009 0.000 1.190 101 F HN 0.468 nan 8.300 nan 0.000 0.533 102 F N 0.627 120.644 119.950 0.112 0.000 2.741 102 F HA 0.719 5.246 4.527 -0.000 0.000 0.313 102 F C -2.063 173.755 175.800 0.030 0.000 1.153 102 F CA -1.552 56.466 58.000 0.031 0.000 0.931 102 F CB 0.859 39.834 39.000 -0.043 0.000 1.335 102 F HN 0.061 nan 8.300 nan 0.000 0.460 103 I N 2.157 122.850 120.570 0.204 0.000 2.460 103 I HA 0.716 4.886 4.170 -0.000 0.000 0.298 103 I C -0.317 175.907 176.117 0.179 0.000 0.989 103 I CA -1.037 60.288 61.300 0.043 0.000 1.173 103 I CB 1.265 39.240 38.000 -0.042 0.000 1.338 103 I HN 0.938 nan 8.210 nan 0.000 0.456 104 A N 7.580 130.452 122.820 0.086 0.000 2.343 104 A HA 0.860 5.180 4.320 -0.000 0.000 0.308 104 A C -0.799 176.920 177.584 0.226 0.000 1.092 104 A CA -0.432 51.718 52.037 0.189 0.000 0.751 104 A CB 1.111 20.188 19.000 0.129 0.000 1.203 104 A HN 0.599 nan 8.150 nan 0.000 0.452 105 I N 2.706 123.419 120.570 0.238 0.000 2.582 105 I HA 0.355 4.524 4.170 -0.000 0.000 0.292 105 I C -2.543 173.573 176.117 -0.002 0.000 1.066 105 I CA -2.515 58.877 61.300 0.154 0.000 1.053 105 I CB 2.867 40.886 38.000 0.032 0.000 1.241 105 I HN 0.365 nan 8.210 nan 0.000 0.421 106 P HA -0.018 nan 4.420 nan 0.000 0.264 106 P C 0.843 178.025 177.300 -0.196 0.000 1.183 106 P CA 0.311 63.136 63.100 -0.459 0.000 0.763 106 P CB 0.672 32.173 31.700 -0.332 0.000 0.807 107 G N 2.748 111.449 108.800 -0.165 0.000 2.471 107 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.219 107 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.219 107 G C 0.269 175.126 174.900 -0.072 0.000 1.125 107 G CA 0.529 45.580 45.100 -0.083 0.000 0.775 107 G HN 0.547 nan 8.290 nan 0.000 0.548 108 Q N -0.863 118.887 119.800 -0.084 0.000 2.423 108 Q HA 0.464 4.804 4.340 -0.000 0.000 0.278 108 Q C -1.007 174.957 176.000 -0.060 0.000 1.097 108 Q CA -1.024 54.743 55.803 -0.060 0.000 0.809 108 Q CB 3.061 31.770 28.738 -0.047 0.000 1.391 108 Q HN -0.051 nan 8.270 nan 0.000 0.428 109 V N 2.028 121.917 119.914 -0.043 0.000 2.584 109 V HA -0.019 4.100 4.120 -0.000 0.000 0.303 109 V C 0.247 176.323 176.094 -0.030 0.000 1.035 109 V CA 0.699 62.979 62.300 -0.034 0.000 1.172 109 V CB 0.325 32.133 31.823 -0.025 0.000 0.896 109 V HN 0.755 nan 8.190 nan 0.000 0.486 110 T N 4.476 119.016 114.554 -0.024 0.000 2.902 110 T HA 0.193 4.543 4.350 -0.000 0.000 0.280 110 T C 1.283 175.981 174.700 -0.002 0.000 0.992 110 T CA -0.547 61.544 62.100 -0.014 0.000 1.015 110 T CB 1.239 70.104 68.868 -0.005 0.000 1.044 110 T HN 0.782 nan 8.240 nan 0.000 0.520 111 E N 0.583 120.785 120.200 0.003 0.000 2.097 111 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 111 E C 2.153 178.760 176.600 0.011 0.000 1.000 111 E CA 1.232 57.636 56.400 0.006 0.000 0.804 111 E CB -0.026 29.679 29.700 0.009 0.000 0.740 111 E HN 0.650 nan 8.360 nan 0.000 0.454 112 Q N 0.934 120.745 119.800 0.018 0.000 2.096 112 Q HA -0.258 4.082 4.340 -0.000 0.000 0.204 112 Q C 2.102 178.115 176.000 0.021 0.000 0.982 112 Q CA 1.618 57.436 55.803 0.025 0.000 0.850 112 Q CB 0.047 28.809 28.738 0.040 0.000 0.901 112 Q HN 0.331 nan 8.270 nan 0.000 0.422 113 Q N -0.692 119.118 119.800 0.016 0.000 2.167 113 Q HA -0.155 4.184 4.340 -0.000 0.000 0.202 113 Q C 2.174 178.176 176.000 0.004 0.000 0.970 113 Q CA 0.961 56.769 55.803 0.009 0.000 0.855 113 Q CB 0.126 28.864 28.738 0.002 0.000 0.911 113 Q HN 0.419 nan 8.270 nan 0.000 0.438 114 Q N 0.174 119.975 119.800 0.002 0.000 2.181 114 Q HA -0.118 4.222 4.340 -0.000 0.000 0.205 114 Q C 1.944 177.946 176.000 0.003 0.000 0.980 114 Q CA 1.151 56.954 55.803 0.000 0.000 0.862 114 Q CB 0.050 28.788 28.738 -0.000 0.000 0.905 114 Q HN 0.446 nan 8.270 nan 0.000 0.429 115 L N -0.366 120.861 121.223 0.007 0.000 2.357 115 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 115 L C 0.223 177.099 176.870 0.010 0.000 1.075 115 L CA 0.380 55.224 54.840 0.008 0.000 0.830 115 L CB 0.336 42.401 42.059 0.010 0.000 0.996 115 L HN 0.015 nan 8.230 nan 0.000 0.467 116 E N -0.343 119.864 120.200 0.012 0.000 2.331 116 E HA 0.165 4.515 4.350 -0.000 0.000 0.243 116 E C 0.272 176.879 176.600 0.011 0.000 0.925 116 E CA -0.170 56.239 56.400 0.014 0.000 0.760 116 E CB 1.375 31.087 29.700 0.020 0.000 1.254 116 E HN -0.019 nan 8.360 nan 0.000 0.419 117 T N 1.579 116.137 114.554 0.007 0.000 2.737 117 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 117 T C 1.372 176.072 174.700 0.001 0.000 1.040 117 T CA 1.343 63.444 62.100 0.001 0.000 1.142 117 T CB -0.010 68.856 68.868 -0.003 0.000 0.861 117 T HN 0.293 nan 8.240 nan 0.000 0.456 118 R N 0.873 121.379 120.500 0.009 0.000 2.426 118 R HA 0.468 4.808 4.340 -0.000 0.000 0.263 118 R C 0.510 176.822 176.300 0.021 0.000 0.961 118 R CA -0.387 55.722 56.100 0.014 0.000 1.086 118 R CB 0.261 30.576 30.300 0.025 0.000 1.186 118 R HN 0.236 nan 8.270 nan 0.000 0.537 119 A N 1.791 124.623 122.820 0.020 0.000 2.511 119 A HA -0.010 4.310 4.320 -0.000 0.000 0.242 119 A C 0.025 177.622 177.584 0.021 0.000 1.069 119 A CA -0.210 51.842 52.037 0.025 0.000 0.763 119 A CB 0.072 19.094 19.000 0.036 0.000 1.001 119 A HN 0.189 nan 8.150 nan 0.000 0.498 120 N N 1.678 120.368 118.700 -0.017 0.000 2.442 120 N HA 0.200 4.939 4.740 -0.000 0.000 0.265 120 N C -0.153 175.411 175.510 0.090 0.000 1.138 120 N CA 0.112 53.117 53.050 -0.075 0.000 0.956 120 N CB 1.357 39.559 38.487 -0.474 0.000 1.067 120 N HN 0.382 nan 8.380 nan 0.000 0.474 121 V N 2.947 122.950 119.914 0.149 0.000 3.252 121 V HA 0.216 4.336 4.120 -0.000 0.000 0.320 121 V C -0.094 176.156 176.094 0.260 0.000 1.459 121 V CA 0.018 62.457 62.300 0.231 0.000 1.095 121 V CB -0.147 31.752 31.823 0.125 0.000 0.997 121 V HN 0.636 nan 8.190 nan 0.000 0.469 122 T N 3.472 118.177 114.554 0.251 0.000 2.869 122 T HA 0.491 4.841 4.350 -0.000 0.000 0.295 122 T C -0.147 174.737 174.700 0.307 0.000 0.987 122 T CA -0.156 62.014 62.100 0.116 0.000 1.109 122 T CB 0.741 69.457 68.868 -0.253 0.000 0.932 122 T HN 0.249 nan 8.240 nan 0.000 0.518 123 R N 1.921 122.508 120.500 0.145 0.000 2.562 123 R HA 0.468 4.808 4.340 -0.000 0.000 0.298 123 R C -1.036 175.317 176.300 0.089 0.000 0.961 123 R CA -1.037 55.162 56.100 0.165 0.000 0.881 123 R CB 2.010 32.315 30.300 0.008 0.000 1.159 123 R HN 0.391 nan 8.270 nan 0.000 0.450 124 L N 2.640 123.967 121.223 0.175 0.000 2.264 124 L HA 0.417 4.756 4.340 -0.000 0.000 0.289 124 L C -0.933 175.803 176.870 -0.224 0.000 1.044 124 L CA -0.055 54.803 54.840 0.029 0.000 0.807 124 L CB 0.798 42.884 42.059 0.045 0.000 1.192 124 L HN 0.645 nan 8.230 nan 0.000 0.425 125 C N 3.478 122.490 119.300 -0.479 0.000 3.108 125 C HA 0.908 5.368 4.460 -0.000 0.000 0.321 125 C C -0.598 174.033 174.990 -0.599 0.000 1.357 125 C CA -0.671 57.940 59.018 -0.679 0.000 1.562 125 C CB 2.066 29.059 27.740 -1.244 0.000 2.003 125 C HN 0.899 nan 8.230 nan 0.000 0.460 126 Q N 0.085 119.676 119.800 -0.349 0.000 2.472 126 Q HA 0.774 5.114 4.340 -0.000 0.000 0.281 126 Q C -1.650 174.398 176.000 0.080 0.000 0.997 126 Q CA -0.679 55.057 55.803 -0.112 0.000 0.828 126 Q CB 1.670 30.331 28.738 -0.127 0.000 1.443 126 Q HN 0.836 nan 8.270 nan 0.000 0.390 127 V N -1.424 118.575 119.914 0.141 0.000 2.876 127 V HA 0.940 5.060 4.120 -0.000 0.000 0.312 127 V C -0.451 175.781 176.094 0.230 0.000 1.085 127 V CA -0.059 62.364 62.300 0.205 0.000 0.945 127 V CB 1.509 33.469 31.823 0.229 0.000 1.017 127 V HN 1.054 nan 8.190 nan 0.000 0.428 128 T N -0.134 114.534 114.554 0.190 0.000 2.916 128 T HA 0.815 5.165 4.350 -0.000 0.000 0.292 128 T C -0.333 174.336 174.700 -0.052 0.000 1.064 128 T CA -0.534 61.562 62.100 -0.007 0.000 1.011 128 T CB 1.770 70.419 68.868 -0.365 0.000 1.152 128 T HN 1.332 nan 8.240 nan 0.000 0.510 129 S N -0.145 115.355 115.700 -0.333 0.000 2.547 129 S HA 0.582 5.052 4.470 -0.000 0.000 0.281 129 S C 0.498 174.863 174.600 -0.391 0.000 1.118 129 S CA -0.229 57.634 58.200 -0.561 0.000 0.947 129 S CB 1.450 63.904 63.200 -1.244 0.000 1.053 129 S HN 1.104 nan 8.310 nan 0.000 0.482 130 T N -0.241 114.109 114.554 -0.340 0.000 3.085 130 T HA 0.254 4.604 4.350 -0.000 0.000 0.264 130 T C -0.139 174.342 174.700 -0.366 0.000 1.019 130 T CA -0.045 61.885 62.100 -0.285 0.000 0.910 130 T CB -0.289 68.454 68.868 -0.208 0.000 1.059 130 T HN 0.599 nan 8.240 nan 0.000 0.542 131 D N 0.626 120.773 120.400 -0.422 0.000 2.891 131 D HA 0.113 4.753 4.640 -0.000 0.000 0.332 131 D C 0.091 176.134 176.300 -0.428 0.000 1.369 131 D CA -0.822 52.892 54.000 -0.477 0.000 0.827 131 D CB -0.913 39.723 40.800 -0.273 0.000 1.141 131 D HN 0.338 nan 8.370 nan 0.000 0.464 132 H N -0.094 118.888 119.070 -0.147 0.000 2.899 132 H HA -0.136 4.420 4.556 -0.000 0.000 0.282 132 H C 1.405 176.647 175.328 -0.142 0.000 1.198 132 H CA 1.010 56.994 56.048 -0.107 0.000 1.140 132 H CB -1.791 27.923 29.762 -0.079 0.000 1.317 132 H HN 0.744 nan 8.280 nan 0.000 0.375 133 G N -0.455 108.164 108.800 -0.301 0.000 2.141 133 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.242 133 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.242 133 G C 1.296 176.046 174.900 -0.250 0.000 0.982 133 G CA 0.623 45.465 45.100 -0.429 0.000 0.662 133 G HN 0.555 nan 8.290 nan 0.000 0.527 134 R N 0.105 120.468 120.500 -0.228 0.000 2.073 134 R HA 0.139 4.479 4.340 -0.000 0.000 0.229 134 R C 1.482 177.717 176.300 -0.108 0.000 1.120 134 R CA 1.686 57.734 56.100 -0.087 0.000 0.967 134 R CB -0.093 30.171 30.300 -0.061 0.000 0.862 134 R HN 0.667 nan 8.270 nan 0.000 0.436 135 T N -2.635 111.736 114.554 -0.306 0.000 2.906 135 T HA 0.495 4.845 4.350 -0.000 0.000 0.295 135 T C -1.247 173.169 174.700 -0.473 0.000 1.061 135 T CA -0.939 61.042 62.100 -0.198 0.000 1.000 135 T CB 1.693 70.504 68.868 -0.095 0.000 1.103 135 T HN 0.121 nan 8.240 nan 0.000 0.486 136 W N 1.104 122.412 121.300 0.013 0.000 2.781 136 W HA 0.648 5.308 4.660 -0.000 0.000 0.345 136 W C 0.648 177.165 176.519 -0.003 0.000 1.085 136 W CA -0.785 56.564 57.345 0.007 0.000 1.198 136 W CB 1.768 31.246 29.460 0.030 0.000 1.423 136 W HN 0.993 nan 8.180 nan 0.000 0.532 137 S N 0.446 116.273 115.700 0.210 0.000 2.617 137 S HA 0.458 4.928 4.470 -0.000 0.000 0.259 137 S C 0.249 174.932 174.600 0.138 0.000 1.301 137 S CA -0.712 57.558 58.200 0.116 0.000 0.984 137 S CB 0.597 63.834 63.200 0.062 0.000 0.954 137 S HN 0.359 nan 8.310 nan 0.000 0.572 138 S N 3.031 118.786 115.700 0.091 0.000 2.579 138 S HA 0.308 4.777 4.470 -0.000 0.000 0.275 138 S C -2.120 172.541 174.600 0.101 0.000 1.345 138 S CA -0.732 57.520 58.200 0.087 0.000 1.031 138 S CB -0.141 63.094 63.200 0.059 0.000 0.892 138 S HN 0.716 nan 8.310 nan 0.000 0.529 139 P HA 0.132 nan 4.420 nan 0.000 0.271 139 P C -0.815 176.524 177.300 0.064 0.000 1.216 139 P CA -0.271 62.911 63.100 0.137 0.000 0.776 139 P CB 0.507 32.333 31.700 0.209 0.000 0.881 140 R N 2.380 122.901 120.500 0.034 0.000 2.393 140 R HA 0.218 4.558 4.340 -0.000 0.000 0.315 140 R C -0.595 175.674 176.300 -0.052 0.000 0.952 140 R CA -0.570 55.536 56.100 0.009 0.000 0.842 140 R CB 0.727 31.055 30.300 0.046 0.000 1.163 140 R HN 0.382 nan 8.270 nan 0.000 0.450 141 D N 5.764 126.128 120.400 -0.060 0.000 2.352 141 D HA 0.068 4.708 4.640 -0.000 0.000 0.245 141 D C 0.726 176.974 176.300 -0.087 0.000 1.224 141 D CA -0.092 53.847 54.000 -0.102 0.000 0.879 141 D CB 1.022 41.765 40.800 -0.094 0.000 1.057 141 D HN 0.634 nan 8.370 nan 0.000 0.491 142 L N 2.873 124.022 121.223 -0.123 0.000 2.567 142 L HA -0.009 4.331 4.340 -0.000 0.000 0.225 142 L C 2.241 178.998 176.870 -0.189 0.000 1.119 142 L CA -0.018 54.736 54.840 -0.144 0.000 0.871 142 L CB -0.173 41.735 42.059 -0.251 0.000 1.036 142 L HN 0.323 nan 8.230 nan 0.000 0.459 143 T N 0.213 114.673 114.554 -0.157 0.000 2.564 143 T HA -0.291 4.059 4.350 -0.000 0.000 0.264 143 T C 1.295 175.872 174.700 -0.205 0.000 1.100 143 T CA 2.353 64.359 62.100 -0.156 0.000 1.171 143 T CB -0.345 68.434 68.868 -0.150 0.000 0.863 143 T HN 0.352 nan 8.240 nan 0.000 0.430 144 D N 1.119 121.398 120.400 -0.203 0.000 2.117 144 D HA 0.030 4.670 4.640 -0.000 0.000 0.197 144 D C 2.318 178.558 176.300 -0.101 0.000 0.987 144 D CA 1.231 55.126 54.000 -0.175 0.000 0.829 144 D CB -0.440 40.272 40.800 -0.146 0.000 0.961 144 D HN 0.446 nan 8.370 nan 0.000 0.460 145 A N 0.268 123.051 122.820 -0.063 0.000 1.969 145 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 145 A C 2.147 179.753 177.584 0.036 0.000 1.169 145 A CA 1.857 53.900 52.037 0.010 0.000 0.635 145 A CB -0.475 18.568 19.000 0.071 0.000 0.810 145 A HN 0.250 nan 8.150 nan 0.000 0.445 146 A N -0.910 121.868 122.820 -0.070 0.000 1.956 146 A HA 0.319 4.639 4.320 -0.000 0.000 0.212 146 A C 1.957 179.592 177.584 0.086 0.000 1.188 146 A CA 0.987 52.973 52.037 -0.086 0.000 0.675 146 A CB -0.193 18.402 19.000 -0.675 0.000 0.845 146 A HN 0.414 nan 8.150 nan 0.000 0.455 147 I N -1.611 118.951 120.570 -0.013 0.000 2.927 147 I HA 0.258 4.428 4.170 -0.000 0.000 0.268 147 I C 1.639 177.680 176.117 -0.126 0.000 1.153 147 I CA 0.738 62.022 61.300 -0.027 0.000 1.459 147 I CB -0.321 37.579 38.000 -0.167 0.000 1.149 147 I HN 0.481 nan 8.210 nan 0.000 0.443 148 G N 2.241 110.970 108.800 -0.119 0.000 2.562 148 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.250 148 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.250 148 G C -1.639 173.179 174.900 -0.137 0.000 1.269 148 G CA 0.068 45.101 45.100 -0.111 0.000 0.919 148 G HN 0.194 nan 8.290 nan 0.000 0.574 149 P HA -0.004 nan 4.420 nan 0.000 0.223 149 P C 1.717 178.916 177.300 -0.168 0.000 1.144 149 P CA 2.410 65.446 63.100 -0.106 0.000 0.783 149 P CB -0.345 31.309 31.700 -0.076 0.000 0.771 150 A N -0.984 121.672 122.820 -0.273 0.000 2.121 150 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 150 A C 2.162 179.244 177.584 -0.836 0.000 1.154 150 A CA 0.672 52.432 52.037 -0.462 0.000 0.679 150 A CB -1.675 17.046 19.000 -0.464 0.000 0.795 150 A HN 0.092 nan 8.150 nan 0.000 0.458 151 Y N 1.865 121.697 120.300 -0.780 0.000 2.102 151 Y HA -0.358 4.192 4.550 -0.000 0.000 0.280 151 Y C 2.478 178.134 175.900 -0.406 0.000 1.178 151 Y CA 2.581 60.272 58.100 -0.681 0.000 1.146 151 Y CB -0.189 38.066 38.460 -0.342 0.000 0.968 151 Y HN 0.510 nan 8.280 nan 0.000 0.504 152 R N 0.120 120.503 120.500 -0.195 0.000 2.316 152 R HA -0.061 4.279 4.340 -0.000 0.000 0.202 152 R C 1.202 177.424 176.300 -0.129 0.000 1.029 152 R CA 1.464 57.487 56.100 -0.127 0.000 1.018 152 R CB -0.560 29.730 30.300 -0.017 0.000 0.888 152 R HN 0.464 nan 8.270 nan 0.000 0.471 153 E N -0.045 120.026 120.200 -0.215 0.000 2.489 153 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 153 E C -0.433 176.310 176.600 0.239 0.000 1.057 153 E CA 0.051 56.435 56.400 -0.026 0.000 0.866 153 E CB 0.203 29.896 29.700 -0.011 0.000 0.916 153 E HN 0.261 nan 8.360 nan 0.000 0.500 154 W N 0.108 121.383 121.300 -0.042 0.000 2.719 154 W HA 0.215 4.874 4.660 -0.000 0.000 0.352 154 W C 1.295 177.805 176.519 -0.014 0.000 1.085 154 W CA -1.423 55.925 57.345 0.005 0.000 1.187 154 W CB 0.604 30.095 29.460 0.053 0.000 1.417 154 W HN -0.168 nan 8.180 nan 0.000 0.557 155 S N -0.854 115.023 115.700 0.296 0.000 2.470 155 S HA 0.200 4.670 4.470 -0.000 0.000 0.222 155 S C 0.578 175.271 174.600 0.154 0.000 1.024 155 S CA 0.993 59.285 58.200 0.153 0.000 0.931 155 S CB 0.428 63.688 63.200 0.099 0.000 0.791 155 S HN 0.581 nan 8.310 nan 0.000 0.513 156 T N -0.123 114.608 114.554 0.294 0.000 2.652 156 T HA 0.524 4.873 4.350 -0.000 0.000 0.303 156 T C -2.197 172.777 174.700 0.456 0.000 1.738 156 T CA -0.562 61.697 62.100 0.266 0.000 0.969 156 T CB 0.564 69.474 68.868 0.069 0.000 1.778 156 T HN 0.735 nan 8.240 nan 0.000 0.494 157 F N -0.614 119.437 119.950 0.167 0.000 2.926 157 F HA 0.930 5.457 4.527 -0.000 0.000 0.321 157 F C -1.274 174.437 175.800 -0.148 0.000 1.168 157 F CA -0.616 57.372 58.000 -0.020 0.000 0.890 157 F CB 0.755 39.839 39.000 0.141 0.000 1.357 157 F HN 1.012 nan 8.300 nan 0.000 0.468 158 A N 0.376 123.014 122.820 -0.303 0.000 2.599 158 A HA 0.822 5.142 4.320 -0.000 0.000 0.290 158 A C -1.570 175.939 177.584 -0.124 0.000 1.101 158 A CA -0.291 51.568 52.037 -0.297 0.000 0.674 158 A CB 1.269 20.037 19.000 -0.386 0.000 1.277 158 A HN 2.095 nan 8.150 nan 0.000 0.419 159 V N -1.191 118.728 119.914 0.009 0.000 2.815 159 V HA 0.945 5.065 4.120 -0.000 0.000 0.314 159 V C 0.932 177.071 176.094 0.075 0.000 1.064 159 V CA 0.273 62.593 62.300 0.033 0.000 0.952 159 V CB 0.533 32.383 31.823 0.044 0.000 1.020 159 V HN 2.935 nan 8.190 nan 0.000 0.439 160 G N 3.015 111.849 108.800 0.058 0.000 2.611 160 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.301 160 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.301 160 G C -2.002 172.995 174.900 0.162 0.000 1.233 160 G CA 0.248 45.401 45.100 0.088 0.000 0.993 160 G HN 1.035 nan 8.290 nan 0.000 0.553 161 P HA 0.488 nan 4.420 nan 0.000 0.275 161 P C 0.628 178.024 177.300 0.161 0.000 1.266 161 P CA 1.658 64.870 63.100 0.187 0.000 0.793 161 P CB 0.649 32.502 31.700 0.256 0.000 1.074 162 G N -0.627 108.288 108.800 0.191 0.000 2.661 162 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.685 162 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.685 162 G C -0.311 174.711 174.900 0.204 0.000 1.298 162 G CA -0.363 44.879 45.100 0.238 0.000 0.855 162 G HN 1.082 nan 8.290 nan 0.000 0.560 163 H N -0.622 118.595 119.070 0.244 0.000 3.016 163 H HA 0.392 4.948 4.556 -0.000 0.000 0.345 163 H C 0.952 176.421 175.328 0.234 0.000 1.066 163 H CA 0.720 56.926 56.048 0.265 0.000 1.390 163 H CB -0.204 29.733 29.762 0.293 0.000 1.344 163 H HN 0.813 nan 8.280 nan 0.000 0.605 164 C N 3.007 122.420 119.300 0.188 0.000 2.589 164 C HA 0.597 5.057 4.460 -0.000 0.000 0.409 164 C C 0.560 175.680 174.990 0.215 0.000 1.851 164 C CA -0.925 58.156 59.018 0.104 0.000 1.823 164 C CB 0.542 28.374 27.740 0.153 0.000 1.985 164 C HN 0.800 nan 8.230 nan 0.000 0.472 165 L N 0.891 122.221 121.223 0.179 0.000 2.362 165 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 165 L C -0.666 176.311 176.870 0.180 0.000 1.002 165 L CA -0.033 54.933 54.840 0.210 0.000 0.818 165 L CB 1.519 43.680 42.059 0.170 0.000 1.298 165 L HN 0.833 nan 8.230 nan 0.000 0.420 166 Q N 3.852 123.766 119.800 0.190 0.000 2.325 166 Q HA 0.571 4.910 4.340 -0.000 0.000 0.270 166 Q C -1.568 174.510 176.000 0.130 0.000 1.020 166 Q CA -0.640 55.248 55.803 0.141 0.000 0.785 166 Q CB 1.472 30.301 28.738 0.152 0.000 1.259 166 Q HN 0.789 nan 8.270 nan 0.000 0.452 167 L N 2.757 124.036 121.223 0.094 0.000 2.466 167 L HA 0.283 4.623 4.340 -0.000 0.000 0.257 167 L C 0.514 177.432 176.870 0.081 0.000 1.189 167 L CA -0.406 54.487 54.840 0.088 0.000 0.813 167 L CB 0.383 42.484 42.059 0.070 0.000 1.118 167 L HN 0.722 nan 8.230 nan 0.000 0.471 168 N N -0.199 118.546 118.700 0.075 0.000 2.376 168 N HA 0.017 4.757 4.740 -0.000 0.000 0.249 168 N C -0.710 174.828 175.510 0.046 0.000 1.140 168 N CA -0.252 52.838 53.050 0.067 0.000 0.870 168 N CB -0.069 38.460 38.487 0.069 0.000 1.124 168 N HN 0.549 nan 8.380 nan 0.000 0.505 169 D N -1.445 118.978 120.400 0.038 0.000 2.433 169 D HA 0.070 4.710 4.640 -0.000 0.000 0.255 169 D C 1.375 177.682 176.300 0.012 0.000 1.226 169 D CA -0.493 53.517 54.000 0.018 0.000 1.015 169 D CB 0.860 41.666 40.800 0.009 0.000 1.091 169 D HN -0.183 nan 8.370 nan 0.000 0.527 170 R N 0.332 120.828 120.500 -0.006 0.000 2.103 170 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 170 R C 1.886 178.185 176.300 -0.000 0.000 1.142 170 R CA 2.204 58.301 56.100 -0.005 0.000 0.960 170 R CB -1.096 29.191 30.300 -0.023 0.000 0.858 170 R HN 0.566 nan 8.270 nan 0.000 0.439 171 A N -0.189 122.616 122.820 -0.026 0.000 2.167 171 A HA 0.106 4.426 4.320 -0.000 0.000 0.214 171 A C 0.041 177.597 177.584 -0.047 0.000 1.151 171 A CA 0.417 52.432 52.037 -0.036 0.000 0.735 171 A CB -0.002 18.956 19.000 -0.070 0.000 0.802 171 A HN 0.313 nan 8.150 nan 0.000 0.467 172 R N -0.119 120.381 120.500 -0.001 0.000 3.264 172 R HA -0.118 4.221 4.340 -0.000 0.000 0.251 172 R C 0.198 176.461 176.300 -0.063 0.000 0.971 172 R CA 0.917 57.026 56.100 0.015 0.000 0.658 172 R CB -2.917 27.436 30.300 0.088 0.000 1.095 172 R HN 0.589 nan 8.270 nan 0.000 0.443 173 S N -0.023 115.659 115.700 -0.031 0.000 2.563 173 S HA 0.297 4.767 4.470 -0.000 0.000 0.284 173 S C 0.750 175.307 174.600 -0.072 0.000 1.331 173 S CA -0.338 57.825 58.200 -0.062 0.000 1.047 173 S CB 0.550 63.798 63.200 0.081 0.000 0.859 173 S HN 0.327 nan 8.310 nan 0.000 0.514 174 L N 4.356 125.489 121.223 -0.151 0.000 2.295 174 L HA 0.586 4.926 4.340 -0.000 0.000 0.285 174 L C -0.851 176.043 176.870 0.040 0.000 1.035 174 L CA -0.910 53.898 54.840 -0.053 0.000 0.806 174 L CB 1.590 43.583 42.059 -0.110 0.000 1.214 174 L HN 0.342 nan 8.230 nan 0.000 0.426 175 V N 4.169 124.142 119.914 0.097 0.000 2.407 175 V HA 0.360 4.479 4.120 -0.000 0.000 0.291 175 V C -0.130 176.010 176.094 0.077 0.000 1.018 175 V CA -0.606 61.763 62.300 0.114 0.000 0.842 175 V CB 2.225 34.106 31.823 0.097 0.000 0.996 175 V HN 0.439 nan 8.190 nan 0.000 0.426 176 V N 7.775 127.714 119.914 0.042 0.000 2.357 176 V HA 0.406 4.525 4.120 -0.000 0.000 0.284 176 V C -2.054 173.980 176.094 -0.101 0.000 1.018 176 V CA -1.807 60.428 62.300 -0.109 0.000 0.841 176 V CB 1.966 33.536 31.823 -0.421 0.000 0.991 176 V HN 0.709 nan 8.190 nan 0.000 0.437 177 P HA 0.506 nan 4.420 nan 0.000 0.271 177 P C -0.588 176.555 177.300 -0.260 0.000 1.216 177 P CA 0.118 63.111 63.100 -0.177 0.000 0.776 177 P CB 1.862 33.498 31.700 -0.106 0.000 0.881 178 A N 2.685 125.208 122.820 -0.494 0.000 2.557 178 A HA 0.827 5.146 4.320 -0.000 0.000 0.292 178 A C -1.882 175.389 177.584 -0.522 0.000 1.139 178 A CA -0.603 51.088 52.037 -0.578 0.000 0.665 178 A CB 1.197 19.625 19.000 -0.953 0.000 1.285 178 A HN 0.660 nan 8.150 nan 0.000 0.433 179 Y N -2.965 117.115 120.300 -0.366 0.000 2.558 179 Y HA 0.820 5.370 4.550 -0.000 0.000 0.333 179 Y C -0.679 175.248 175.900 0.044 0.000 1.125 179 Y CA -0.682 57.357 58.100 -0.103 0.000 1.039 179 Y CB 0.930 39.279 38.460 -0.185 0.000 1.331 179 Y HN 1.674 nan 8.280 nan 0.000 0.456 180 A N 1.958 124.778 122.820 0.000 0.000 2.449 180 A HA 0.710 5.030 4.320 -0.000 0.000 0.302 180 A C -2.352 174.987 177.584 -0.407 0.000 1.048 180 A CA -0.898 50.929 52.037 -0.351 0.000 0.708 180 A CB 0.918 19.149 19.000 -1.282 0.000 1.274 180 A HN 0.728 nan 8.150 nan 0.000 0.410 181 Y N 1.766 121.997 120.300 -0.114 0.000 2.504 181 Y HA 0.337 4.887 4.550 -0.000 0.000 0.351 181 Y C 0.937 176.786 175.900 -0.085 0.000 0.988 181 Y CA 0.378 58.449 58.100 -0.048 0.000 1.239 181 Y CB 0.699 39.191 38.460 0.053 0.000 1.128 181 Y HN 0.557 nan 8.280 nan 0.000 0.525 182 R N 3.284 123.740 120.500 -0.074 0.000 2.265 182 R HA 0.227 4.567 4.340 -0.000 0.000 0.314 182 R C -0.216 176.146 176.300 0.104 0.000 1.053 182 R CA -0.608 55.485 56.100 -0.012 0.000 0.931 182 R CB 0.697 30.868 30.300 -0.216 0.000 1.024 182 R HN 0.530 nan 8.270 nan 0.000 0.457 183 K N 3.962 124.460 120.400 0.163 0.000 2.502 183 K HA 0.078 4.397 4.320 -0.000 0.000 0.244 183 K C 0.755 177.408 176.600 0.089 0.000 1.249 183 K CA -0.023 56.341 56.287 0.129 0.000 1.193 183 K CB 0.191 32.762 32.500 0.118 0.000 1.674 183 K HN 0.492 nan 8.250 nan 0.000 0.302 184 L N 0.236 121.506 121.223 0.079 0.000 2.240 184 L HA -0.043 4.297 4.340 -0.000 0.000 0.211 184 L C 0.270 177.031 176.870 -0.181 0.000 1.106 184 L CA 0.867 55.681 54.840 -0.042 0.000 0.793 184 L CB -0.169 41.853 42.059 -0.063 0.000 0.927 184 L HN 0.450 nan 8.230 nan 0.000 0.446 185 H N -1.001 118.083 119.070 0.023 0.000 2.495 185 H HA 0.216 4.772 4.556 -0.000 0.000 0.348 185 H C -1.555 173.785 175.328 0.021 0.000 1.113 185 H CA -1.849 54.210 56.048 0.019 0.000 1.195 185 H CB 0.980 30.751 29.762 0.015 0.000 1.521 185 H HN -0.230 nan 8.280 nan 0.000 0.509 186 P HA -0.046 nan 4.420 nan 0.000 0.222 186 P C 0.741 178.084 177.300 0.071 0.000 1.153 186 P CA 1.154 64.299 63.100 0.074 0.000 0.798 186 P CB 0.928 32.657 31.700 0.049 0.000 0.796 187 I N -1.148 119.473 120.570 0.086 0.000 2.899 187 I HA 0.007 4.176 4.170 -0.000 0.000 0.257 187 I C 1.053 177.190 176.117 0.035 0.000 1.115 187 I CA 0.071 61.401 61.300 0.050 0.000 1.451 187 I CB -0.555 37.468 38.000 0.039 0.000 1.251 187 I HN -0.147 nan 8.210 nan 0.000 0.456 188 Q N 3.372 123.190 119.800 0.031 0.000 2.386 188 Q HA 0.021 4.361 4.340 -0.000 0.000 0.282 188 Q C -0.001 176.006 176.000 0.011 0.000 1.050 188 Q CA 0.193 55.970 55.803 -0.043 0.000 0.918 188 Q CB 0.283 28.872 28.738 -0.248 0.000 1.266 188 Q HN 0.438 nan 8.270 nan 0.000 0.423 189 R N 1.266 121.764 120.500 -0.004 0.000 2.594 189 R HA 0.364 4.704 4.340 -0.000 0.000 0.272 189 R C -2.311 174.028 176.300 0.065 0.000 1.074 189 R CA -1.537 54.578 56.100 0.024 0.000 1.105 189 R CB -0.642 29.663 30.300 0.009 0.000 1.008 189 R HN 0.204 nan 8.270 nan 0.000 0.472 190 P HA -0.018 nan 4.420 nan 0.000 0.265 190 P C -0.637 176.795 177.300 0.220 0.000 1.193 190 P CA 0.167 63.363 63.100 0.161 0.000 0.765 190 P CB 0.397 32.207 31.700 0.185 0.000 0.823 191 I N 5.200 125.856 120.570 0.143 0.000 2.412 191 I HA 0.337 4.506 4.170 -0.000 0.000 0.296 191 I C -2.111 173.967 176.117 -0.066 0.000 0.987 191 I CA -3.170 58.179 61.300 0.082 0.000 1.180 191 I CB 1.314 39.326 38.000 0.019 0.000 1.340 191 I HN 0.180 nan 8.210 nan 0.000 0.455 192 P HA 0.335 nan 4.420 nan 0.000 0.282 192 P C -0.849 176.253 177.300 -0.331 0.000 1.249 192 P CA -0.379 62.441 63.100 -0.467 0.000 0.806 192 P CB 1.605 32.836 31.700 -0.782 0.000 0.984 193 S N 0.342 115.852 115.700 -0.316 0.000 2.572 193 S HA 0.610 5.080 4.470 -0.000 0.000 0.274 193 S C -0.440 174.225 174.600 0.109 0.000 1.150 193 S CA -0.509 57.573 58.200 -0.198 0.000 0.944 193 S CB 1.596 64.532 63.200 -0.441 0.000 1.071 193 S HN 0.662 nan 8.310 nan 0.000 0.479 194 A N 2.337 125.211 122.820 0.090 0.000 2.304 194 A HA 0.961 5.280 4.320 -0.000 0.000 0.271 194 A C -0.388 177.343 177.584 0.246 0.000 1.091 194 A CA -0.259 51.838 52.037 0.100 0.000 0.812 194 A CB -0.027 18.907 19.000 -0.111 0.000 1.056 194 A HN 1.178 nan 8.150 nan 0.000 0.489 195 F N -1.993 117.887 119.950 -0.116 0.000 3.122 195 F HA 0.623 5.150 4.527 -0.000 0.000 0.325 195 F C -1.197 174.482 175.800 -0.201 0.000 1.162 195 F CA -1.432 56.453 58.000 -0.191 0.000 0.876 195 F CB 0.340 39.103 39.000 -0.396 0.000 1.429 195 F HN 0.583 nan 8.300 nan 0.000 0.484 196 C N 0.901 120.162 119.300 -0.065 0.000 2.707 196 C HA 0.767 5.227 4.460 -0.000 0.000 0.313 196 C C -1.167 173.762 174.990 -0.101 0.000 1.209 196 C CA -0.592 58.333 59.018 -0.154 0.000 1.635 196 C CB 1.461 29.275 27.740 0.122 0.000 2.206 196 C HN 0.595 nan 8.230 nan 0.000 0.485 197 F N 2.199 122.158 119.950 0.015 0.000 2.421 197 F HA 0.728 5.255 4.527 -0.000 0.000 0.337 197 F C -0.026 175.905 175.800 0.219 0.000 1.105 197 F CA -0.657 57.408 58.000 0.108 0.000 1.049 197 F CB 1.335 40.243 39.000 -0.153 0.000 1.139 197 F HN 0.292 nan 8.300 nan 0.000 0.479 198 L N 2.693 124.193 121.223 0.461 0.000 2.385 198 L HA 0.731 5.071 4.340 -0.000 0.000 0.273 198 L C -0.834 175.976 176.870 -0.100 0.000 0.990 198 L CA -0.116 54.819 54.840 0.159 0.000 0.821 198 L CB 1.990 44.032 42.059 -0.029 0.000 1.279 198 L HN 0.480 nan 8.230 nan 0.000 0.412 199 S N 2.601 118.018 115.700 -0.473 0.000 2.571 199 S HA 0.505 4.975 4.470 -0.000 0.000 0.284 199 S C -0.120 174.111 174.600 -0.616 0.000 1.128 199 S CA -0.524 57.184 58.200 -0.819 0.000 0.970 199 S CB 0.658 62.890 63.200 -1.614 0.000 1.039 199 S HN 0.794 nan 8.310 nan 0.000 0.485 200 H N 2.747 121.621 119.070 -0.327 0.000 2.575 200 H HA 0.185 4.741 4.556 -0.000 0.000 0.267 200 H C -0.172 174.950 175.328 -0.343 0.000 0.966 200 H CA 0.418 56.303 56.048 -0.272 0.000 1.165 200 H CB 0.312 29.974 29.762 -0.168 0.000 1.433 200 H HN 0.714 nan 8.280 nan 0.000 0.544 201 D N -0.677 119.561 120.400 -0.270 0.000 2.892 201 D HA 0.035 4.675 4.640 -0.000 0.000 0.291 201 D C -0.229 175.975 176.300 -0.160 0.000 1.341 201 D CA -0.602 53.277 54.000 -0.202 0.000 0.844 201 D CB -0.663 40.093 40.800 -0.073 0.000 1.093 201 D HN 0.110 nan 8.370 nan 0.000 0.480 202 H N 0.036 119.024 119.070 -0.136 0.000 2.791 202 H HA -0.145 4.411 4.556 -0.000 0.000 0.302 202 H C 1.405 176.702 175.328 -0.051 0.000 1.198 202 H CA 0.973 56.978 56.048 -0.071 0.000 1.145 202 H CB -1.603 28.206 29.762 0.078 0.000 1.385 202 H HN 0.710 nan 8.280 nan 0.000 0.409 203 G N -0.290 108.318 108.800 -0.320 0.000 2.157 203 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.248 203 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.248 203 G C 1.071 175.919 174.900 -0.086 0.000 0.979 203 G CA 0.831 45.782 45.100 -0.248 0.000 0.650 203 G HN 0.594 nan 8.290 nan 0.000 0.529 204 R N 0.609 121.034 120.500 -0.124 0.000 2.073 204 R HA 0.117 4.457 4.340 -0.000 0.000 0.229 204 R C 1.374 177.630 176.300 -0.073 0.000 1.120 204 R CA 2.011 58.097 56.100 -0.022 0.000 0.967 204 R CB -0.077 30.222 30.300 -0.001 0.000 0.862 204 R HN 0.667 nan 8.270 nan 0.000 0.436 205 T N -3.166 111.237 114.554 -0.252 0.000 2.906 205 T HA 0.501 4.851 4.350 -0.000 0.000 0.295 205 T C -1.204 173.242 174.700 -0.424 0.000 1.061 205 T CA -0.889 61.104 62.100 -0.178 0.000 1.000 205 T CB 1.574 70.390 68.868 -0.087 0.000 1.103 205 T HN 0.201 nan 8.240 nan 0.000 0.486 206 W N 0.282 121.572 121.300 -0.016 0.000 2.936 206 W HA 0.744 5.404 4.660 -0.000 0.000 0.338 206 W C -0.453 176.073 176.519 0.011 0.000 1.121 206 W CA -0.964 56.370 57.345 -0.019 0.000 1.209 206 W CB 2.396 31.831 29.460 -0.041 0.000 1.420 206 W HN 1.058 nan 8.180 nan 0.000 0.516 207 A N 2.341 125.347 122.820 0.310 0.000 2.386 207 A HA 0.823 5.143 4.320 -0.000 0.000 0.311 207 A C -1.230 176.521 177.584 0.279 0.000 1.068 207 A CA -1.056 51.099 52.037 0.196 0.000 0.743 207 A CB 1.526 20.572 19.000 0.077 0.000 1.258 207 A HN 0.700 nan 8.150 nan 0.000 0.429 208 R N 1.940 122.538 120.500 0.163 0.000 2.229 208 R HA 0.491 4.831 4.340 -0.000 0.000 0.332 208 R C 0.445 176.676 176.300 -0.114 0.000 0.989 208 R CA 0.022 56.158 56.100 0.059 0.000 0.842 208 R CB 0.866 31.146 30.300 -0.035 0.000 1.119 208 R HN 0.929 nan 8.270 nan 0.000 0.456 209 G N 2.196 110.968 108.800 -0.047 0.000 2.572 209 G HA2 0.098 4.058 3.960 -0.000 0.000 0.261 209 G HA3 0.098 4.058 3.960 -0.000 0.000 0.261 209 G C -0.704 174.069 174.900 -0.213 0.000 1.197 209 G CA -0.462 44.627 45.100 -0.018 0.000 0.870 209 G HN 0.689 nan 8.290 nan 0.000 0.548 210 H N -0.760 118.259 119.070 -0.085 0.000 2.690 210 H HA 0.296 4.852 4.556 -0.000 0.000 0.365 210 H C 0.014 175.296 175.328 -0.076 0.000 1.142 210 H CA 0.261 56.224 56.048 -0.141 0.000 1.417 210 H CB 0.476 30.240 29.762 0.005 0.000 1.446 210 H HN 0.284 nan 8.280 nan 0.000 0.599 211 F N 0.895 120.920 119.950 0.126 0.000 2.496 211 F HA 0.125 4.652 4.527 -0.000 0.000 0.344 211 F C 1.037 176.887 175.800 0.085 0.000 1.155 211 F CA -0.344 57.701 58.000 0.074 0.000 1.302 211 F CB 0.189 39.179 39.000 -0.016 0.000 1.159 211 F HN 0.307 nan 8.300 nan 0.000 0.595 212 V N 0.011 120.055 119.914 0.218 0.000 3.871 212 V HA 0.807 4.927 4.120 -0.000 0.000 0.274 212 V C 0.552 176.678 176.094 0.055 0.000 1.104 212 V CA -1.061 61.277 62.300 0.063 0.000 0.852 212 V CB -0.199 31.543 31.823 -0.134 0.000 1.222 212 V HN 0.922 nan 8.190 nan 0.000 0.420 213 A N 0.741 123.556 122.820 -0.008 0.000 2.507 213 A HA 0.321 4.641 4.320 -0.000 0.000 0.235 213 A C 0.529 178.080 177.584 -0.056 0.000 1.070 213 A CA 0.259 52.283 52.037 -0.023 0.000 0.768 213 A CB -0.450 18.526 19.000 -0.040 0.000 1.011 213 A HN 1.062 nan 8.150 nan 0.000 0.502 214 Q N 0.359 120.123 119.800 -0.059 0.000 2.454 214 Q HA 0.237 4.577 4.340 -0.000 0.000 0.247 214 Q C -0.720 175.220 176.000 -0.100 0.000 1.028 214 Q CA 0.096 55.843 55.803 -0.092 0.000 0.910 214 Q CB 0.385 29.087 28.738 -0.060 0.000 1.276 214 Q HN 0.686 nan 8.270 nan 0.000 0.489 215 D N 0.817 121.142 120.400 -0.125 0.000 2.716 215 D HA -0.114 4.526 4.640 -0.000 0.000 0.239 215 D C -1.085 175.064 176.300 -0.252 0.000 1.125 215 D CA 1.545 55.459 54.000 -0.144 0.000 0.681 215 D CB -1.132 39.643 40.800 -0.042 0.000 1.070 215 D HN 0.796 nan 8.370 nan 0.000 0.432 216 T N -1.819 112.577 114.554 -0.264 0.000 2.841 216 T HA 0.724 5.074 4.350 -0.000 0.000 0.283 216 T C 0.555 175.029 174.700 -0.376 0.000 1.000 216 T CA -0.900 61.025 62.100 -0.292 0.000 0.977 216 T CB 2.596 71.339 68.868 -0.208 0.000 0.979 216 T HN -0.019 nan 8.240 nan 0.000 0.446 217 L N 0.439 121.368 121.223 -0.491 0.000 2.845 217 L HA 0.551 4.891 4.340 -0.000 0.000 0.223 217 L C 0.298 176.690 176.870 -0.798 0.000 1.981 217 L CA -1.086 53.244 54.840 -0.849 0.000 2.671 217 L CB -0.546 40.998 42.059 -0.860 0.000 2.610 217 L HN 0.638 nan 8.230 nan 0.000 0.629 218 E N 0.789 120.455 120.200 -0.890 0.000 2.820 218 E HA 0.122 4.472 4.350 -0.000 0.000 0.251 218 E C -0.633 175.833 176.600 -0.224 0.000 0.944 218 E CA 0.360 56.539 56.400 -0.369 0.000 0.955 218 E CB -0.032 29.517 29.700 -0.253 0.000 0.904 218 E HN 0.520 nan 8.360 nan 0.000 0.513 219 C N 1.641 120.870 119.300 -0.117 0.000 3.154 219 C HA 0.678 5.138 4.460 -0.000 0.000 0.312 219 C C -0.801 174.149 174.990 -0.066 0.000 1.349 219 C CA -0.849 58.104 59.018 -0.109 0.000 1.518 219 C CB 1.501 29.151 27.740 -0.149 0.000 1.934 219 C HN 0.740 nan 8.230 nan 0.000 0.462 220 Q N 0.449 120.224 119.800 -0.041 0.000 2.456 220 Q HA 0.768 5.108 4.340 -0.000 0.000 0.283 220 Q C -1.049 174.959 176.000 0.013 0.000 1.084 220 Q CA -0.726 55.058 55.803 -0.031 0.000 0.801 220 Q CB 2.706 31.443 28.738 -0.001 0.000 1.434 220 Q HN 0.986 nan 8.270 nan 0.000 0.419 221 V N -2.285 117.646 119.914 0.030 0.000 2.914 221 V HA 1.051 5.171 4.120 -0.000 0.000 0.314 221 V C -1.005 175.186 176.094 0.161 0.000 1.084 221 V CA -0.741 61.621 62.300 0.103 0.000 0.963 221 V CB 1.536 33.429 31.823 0.117 0.000 1.025 221 V HN 0.883 nan 8.190 nan 0.000 0.432 222 A N 1.900 124.832 122.820 0.188 0.000 2.556 222 A HA 0.851 5.171 4.320 -0.000 0.000 0.294 222 A C -0.936 176.750 177.584 0.170 0.000 1.091 222 A CA -0.636 51.528 52.037 0.212 0.000 0.704 222 A CB 1.992 21.140 19.000 0.246 0.000 1.300 222 A HN 1.074 nan 8.150 nan 0.000 0.406 223 E N 0.234 120.528 120.200 0.156 0.000 2.183 223 E HA 0.642 4.992 4.350 -0.000 0.000 0.271 223 E C -0.981 175.677 176.600 0.097 0.000 0.919 223 E CA -0.659 55.811 56.400 0.116 0.000 0.781 223 E CB 1.681 31.444 29.700 0.106 0.000 1.140 223 E HN 0.997 nan 8.360 nan 0.000 0.402 224 V N 0.441 120.396 119.914 0.068 0.000 3.159 224 V HA 0.536 4.656 4.120 -0.000 0.000 0.308 224 V C -0.235 175.875 176.094 0.026 0.000 1.190 224 V CA -1.034 61.292 62.300 0.043 0.000 1.037 224 V CB 1.563 33.401 31.823 0.025 0.000 1.060 224 V HN 0.869 nan 8.190 nan 0.000 0.437 230 R N 0.385 120.886 120.500 0.002 0.000 2.357 230 R HA 0.711 5.051 4.340 -0.000 0.000 0.296 230 R C -0.173 176.130 176.300 0.005 0.000 1.052 230 R CA -0.372 55.734 56.100 0.010 0.000 0.988 230 R CB 1.459 31.770 30.300 0.018 0.000 1.025 230 R HN 0.611 nan 8.270 nan 0.000 0.469 231 V N -0.319 119.604 119.914 0.014 0.000 3.040 231 V HA 0.627 4.747 4.120 -0.000 0.000 0.312 231 V C -0.568 175.549 176.094 0.037 0.000 1.115 231 V CA -1.108 61.197 62.300 0.009 0.000 0.998 231 V CB 2.162 33.990 31.823 0.009 0.000 1.042 231 V HN 0.561 nan 8.190 nan 0.000 0.433 232 V N 2.160 122.094 119.914 0.033 0.000 2.394 232 V HA 0.546 4.666 4.120 -0.000 0.000 0.282 232 V C 0.451 176.663 176.094 0.196 0.000 1.031 232 V CA 0.188 62.548 62.300 0.101 0.000 0.881 232 V CB 1.407 33.279 31.823 0.081 0.000 0.982 232 V HN 1.139 nan 8.190 nan 0.000 0.451 233 T N 6.311 120.985 114.554 0.201 0.000 2.794 233 T HA 0.624 4.974 4.350 -0.000 0.000 0.280 233 T C -0.865 173.957 174.700 0.203 0.000 0.987 233 T CA -0.363 61.865 62.100 0.214 0.000 0.993 233 T CB 0.760 69.719 68.868 0.152 0.000 0.939 233 T HN 0.547 nan 8.240 nan 0.000 0.449 234 L N 5.845 127.153 121.223 0.142 0.000 2.333 234 L HA 0.627 4.966 4.340 -0.000 0.000 0.280 234 L C -0.557 176.269 176.870 -0.073 0.000 1.004 234 L CA -0.715 54.103 54.840 -0.036 0.000 0.820 234 L CB 1.214 43.049 42.059 -0.374 0.000 1.247 234 L HN 0.550 nan 8.230 nan 0.000 0.416 235 N N 4.402 123.071 118.700 -0.053 0.000 2.479 235 N HA 0.607 5.347 4.740 -0.000 0.000 0.261 235 N C -1.343 174.104 175.510 -0.104 0.000 0.979 235 N CA -0.167 52.834 53.050 -0.082 0.000 0.930 235 N CB 1.960 40.424 38.487 -0.038 0.000 1.172 235 N HN 0.743 nan 8.380 nan 0.000 0.499 236 A N 3.120 125.847 122.820 -0.154 0.000 2.356 236 A HA 0.552 4.872 4.320 -0.000 0.000 0.323 236 A C 0.024 177.500 177.584 -0.180 0.000 1.119 236 A CA -0.830 51.103 52.037 -0.174 0.000 0.790 236 A CB 1.316 20.192 19.000 -0.207 0.000 1.273 236 A HN 0.745 nan 8.150 nan 0.000 0.452 237 R N 0.672 121.052 120.500 -0.200 0.000 2.490 237 R HA 0.470 4.810 4.340 -0.000 0.000 0.280 237 R C 0.047 176.197 176.300 -0.249 0.000 1.077 237 R CA 0.717 56.705 56.100 -0.186 0.000 1.065 237 R CB 0.484 30.658 30.300 -0.210 0.000 1.003 237 R HN 0.962 nan 8.270 nan 0.000 0.470 238 S N 1.391 116.968 115.700 -0.206 0.000 2.732 238 S HA 0.267 4.737 4.470 -0.000 0.000 0.293 238 S C -0.210 174.280 174.600 -0.182 0.000 1.159 238 S CA -0.890 57.158 58.200 -0.254 0.000 0.847 238 S CB 1.424 64.531 63.200 -0.155 0.000 1.169 238 S HN 0.852 nan 8.310 nan 0.000 0.501 239 H N -0.408 118.642 119.070 -0.035 0.000 2.505 239 H HA 0.498 5.054 4.556 -0.000 0.000 0.286 239 H C -0.011 175.316 175.328 -0.002 0.000 1.072 239 H CA -0.329 55.714 56.048 -0.008 0.000 1.141 239 H CB 0.104 29.861 29.762 -0.009 0.000 1.550 239 H HN 0.175 nan 8.280 nan 0.000 0.547 240 L N -0.436 120.832 121.223 0.076 0.000 2.687 240 L HA 0.405 4.745 4.340 -0.000 0.000 0.252 240 L C 1.229 178.124 176.870 0.040 0.000 1.115 240 L CA -0.838 54.027 54.840 0.043 0.000 0.893 240 L CB 0.830 42.891 42.059 0.004 0.000 1.670 240 L HN 0.092 nan 8.230 nan 0.000 0.531 241 R N -0.331 120.183 120.500 0.024 0.000 2.334 241 R HA 0.395 4.735 4.340 -0.000 0.000 0.216 241 R C -0.383 175.914 176.300 -0.005 0.000 0.905 241 R CA -0.027 56.092 56.100 0.031 0.000 1.064 241 R CB 0.548 30.869 30.300 0.036 0.000 1.046 241 R HN 0.590 nan 8.270 nan 0.000 0.508 242 A N 0.581 123.375 122.820 -0.043 0.000 2.587 242 A HA 0.558 4.878 4.320 -0.000 0.000 0.293 242 A C -0.725 176.770 177.584 -0.147 0.000 1.087 242 A CA -0.948 51.027 52.037 -0.102 0.000 0.692 242 A CB 1.307 20.251 19.000 -0.094 0.000 1.291 242 A HN -0.028 nan 8.150 nan 0.000 0.407 243 R N -0.122 120.235 120.500 -0.237 0.000 2.679 243 R HA 0.437 4.777 4.340 -0.000 0.000 0.269 243 R C -0.617 175.559 176.300 -0.207 0.000 1.076 243 R CA -0.226 55.715 56.100 -0.266 0.000 1.160 243 R CB 0.556 30.602 30.300 -0.424 0.000 1.054 243 R HN 0.433 nan 8.270 nan 0.000 0.507 244 V N 2.480 122.282 119.914 -0.188 0.000 2.459 244 V HA 0.270 4.390 4.120 -0.000 0.000 0.295 244 V C 0.209 176.213 176.094 -0.150 0.000 1.029 244 V CA -0.567 61.643 62.300 -0.150 0.000 0.874 244 V CB 1.627 33.365 31.823 -0.141 0.000 0.985 244 V HN 0.537 nan 8.190 nan 0.000 0.438 245 Q N 2.819 122.553 119.800 -0.110 0.000 2.423 245 Q HA 0.867 5.207 4.340 -0.000 0.000 0.278 245 Q C -1.432 174.543 176.000 -0.043 0.000 1.097 245 Q CA -0.623 55.133 55.803 -0.078 0.000 0.809 245 Q CB 2.710 31.428 28.738 -0.032 0.000 1.391 245 Q HN 0.897 nan 8.270 nan 0.000 0.428 246 A N 2.284 125.093 122.820 -0.018 0.000 2.589 246 A HA 0.578 4.898 4.320 -0.000 0.000 0.296 246 A C -1.685 176.078 177.584 0.297 0.000 1.062 246 A CA -0.642 51.447 52.037 0.088 0.000 0.686 246 A CB 1.719 20.716 19.000 -0.004 0.000 1.282 246 A HN 0.740 nan 8.150 nan 0.000 0.404 247 Q N 0.170 120.181 119.800 0.352 0.000 2.377 247 Q HA 0.822 5.162 4.340 -0.000 0.000 0.271 247 Q C -0.685 175.403 176.000 0.146 0.000 1.077 247 Q CA -0.701 55.282 55.803 0.300 0.000 0.820 247 Q CB 2.090 30.904 28.738 0.127 0.000 1.347 247 Q HN 0.766 nan 8.270 nan 0.000 0.444 248 S N 0.212 115.819 115.700 -0.154 0.000 2.521 248 S HA 0.404 4.874 4.470 -0.000 0.000 0.295 248 S C 0.062 174.529 174.600 -0.222 0.000 1.098 248 S CA -0.163 57.762 58.200 -0.458 0.000 0.999 248 S CB 1.560 64.062 63.200 -1.164 0.000 1.034 248 S HN 0.756 nan 8.310 nan 0.000 0.483 249 T N 0.539 114.993 114.554 -0.167 0.000 3.105 249 T HA 0.190 4.540 4.350 -0.000 0.000 0.253 249 T C 0.336 174.983 174.700 -0.089 0.000 1.047 249 T CA -0.206 61.836 62.100 -0.096 0.000 0.944 249 T CB -0.561 68.269 68.868 -0.064 0.000 1.016 249 T HN 0.623 nan 8.240 nan 0.000 0.544 250 N N 0.869 119.493 118.700 -0.127 0.000 2.610 250 N HA 0.166 4.906 4.740 -0.000 0.000 0.307 250 N C -0.894 174.577 175.510 -0.065 0.000 1.813 250 N CA -0.470 52.534 53.050 -0.076 0.000 0.901 250 N CB -0.061 38.389 38.487 -0.062 0.000 1.354 250 N HN 0.012 nan 8.380 nan 0.000 0.491 251 D N -0.210 120.151 120.400 -0.064 0.000 3.012 251 D HA -0.148 4.492 4.640 -0.000 0.000 0.222 251 D C 1.037 177.297 176.300 -0.066 0.000 1.167 251 D CA 1.886 55.870 54.000 -0.025 0.000 0.854 251 D CB -1.466 39.378 40.800 0.072 0.000 1.107 251 D HN 0.827 nan 8.370 nan 0.000 0.421 252 G N -1.518 107.143 108.800 -0.231 0.000 2.176 252 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.232 252 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.232 252 G C 0.880 175.711 174.900 -0.115 0.000 0.986 252 G CA 0.381 45.321 45.100 -0.267 0.000 0.643 252 G HN 0.370 nan 8.290 nan 0.000 0.522 253 L N 0.819 121.988 121.223 -0.090 0.000 2.109 253 L HA 0.309 4.649 4.340 -0.000 0.000 0.207 253 L C 0.733 177.656 176.870 0.088 0.000 1.086 253 L CA 1.697 56.559 54.840 0.037 0.000 0.760 253 L CB 0.029 42.115 42.059 0.046 0.000 0.910 253 L HN 0.343 nan 8.230 nan 0.000 0.437 254 D N -2.271 118.075 120.400 -0.092 0.000 2.879 254 D HA 0.295 4.935 4.640 -0.000 0.000 0.236 254 D C -1.211 174.949 176.300 -0.233 0.000 1.171 254 D CA -0.327 53.634 54.000 -0.065 0.000 0.868 254 D CB 1.909 42.644 40.800 -0.108 0.000 1.598 254 D HN -0.242 nan 8.370 nan 0.000 0.497 255 F N 1.129 121.092 119.950 0.022 0.000 2.480 255 F HA 0.254 4.781 4.527 -0.000 0.000 0.329 255 F C 1.199 177.002 175.800 0.006 0.000 1.091 255 F CA -0.658 57.354 58.000 0.020 0.000 0.972 255 F CB 1.586 40.606 39.000 0.033 0.000 1.150 255 F HN 0.003 nan 8.300 nan 0.000 0.467 256 Q N 0.617 120.517 119.800 0.167 0.000 2.500 256 Q HA 0.075 4.415 4.340 -0.000 0.000 0.215 256 Q C -0.088 175.981 176.000 0.114 0.000 1.062 256 Q CA -0.520 55.340 55.803 0.096 0.000 0.996 256 Q CB 0.410 29.185 28.738 0.063 0.000 1.239 256 Q HN 0.581 nan 8.270 nan 0.000 0.578 257 E N 0.414 120.653 120.200 0.066 0.000 2.608 257 E HA -0.057 4.293 4.350 -0.000 0.000 0.259 257 E C -0.883 175.745 176.600 0.047 0.000 0.951 257 E CA -0.143 56.288 56.400 0.051 0.000 0.945 257 E CB 0.535 30.253 29.700 0.029 0.000 0.916 257 E HN 0.350 nan 8.360 nan 0.000 0.477 258 S N 3.179 118.897 115.700 0.030 0.000 2.572 258 S HA 0.091 4.561 4.470 -0.000 0.000 0.279 258 S C -0.332 174.263 174.600 -0.008 0.000 1.341 258 S CA -0.315 57.885 58.200 0.000 0.000 1.043 258 S CB 0.962 64.145 63.200 -0.029 0.000 0.887 258 S HN 0.463 nan 8.310 nan 0.000 0.516 259 Q N 0.896 120.685 119.800 -0.019 0.000 2.423 259 Q HA 0.523 4.863 4.340 -0.000 0.000 0.278 259 Q C -1.202 174.772 176.000 -0.043 0.000 1.097 259 Q CA -0.737 55.054 55.803 -0.021 0.000 0.809 259 Q CB 1.753 30.488 28.738 -0.006 0.000 1.391 259 Q HN 0.499 nan 8.270 nan 0.000 0.428 260 L N 1.338 122.535 121.223 -0.043 0.000 2.326 260 L HA 0.394 4.734 4.340 -0.000 0.000 0.278 260 L C -0.528 176.303 176.870 -0.066 0.000 1.092 260 L CA -0.812 53.990 54.840 -0.063 0.000 0.810 260 L CB 1.183 43.212 42.059 -0.050 0.000 1.153 260 L HN 0.362 nan 8.230 nan 0.000 0.439 261 V N 4.012 123.859 119.914 -0.112 0.000 2.240 261 V HA 0.130 4.249 4.120 -0.000 0.000 0.265 261 V C 1.010 177.016 176.094 -0.146 0.000 1.073 261 V CA -0.512 61.712 62.300 -0.126 0.000 0.857 261 V CB 0.460 32.143 31.823 -0.234 0.000 1.114 261 V HN 0.741 nan 8.190 nan 0.000 0.469 262 K N 1.850 122.204 120.400 -0.076 0.000 2.160 262 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 262 K C 1.702 178.268 176.600 -0.056 0.000 1.047 262 K CA 1.335 57.587 56.287 -0.057 0.000 0.930 262 K CB 0.036 32.522 32.500 -0.022 0.000 0.720 262 K HN 0.487 nan 8.250 nan 0.000 0.450 263 K N 0.521 120.891 120.400 -0.049 0.000 2.442 263 K HA 0.002 4.322 4.320 -0.000 0.000 0.198 263 K C 0.207 176.749 176.600 -0.097 0.000 1.042 263 K CA 0.526 56.809 56.287 -0.007 0.000 0.958 263 K CB 0.088 32.640 32.500 0.087 0.000 0.766 263 K HN 0.102 nan 8.250 nan 0.000 0.474 264 L N 1.797 122.830 121.223 -0.315 0.000 2.313 264 L HA 0.238 4.578 4.340 -0.000 0.000 0.273 264 L C -0.244 176.430 176.870 -0.326 0.000 1.028 264 L CA -0.731 53.786 54.840 -0.539 0.000 0.871 264 L CB 1.419 42.849 42.059 -1.048 0.000 1.242 264 L HN -0.168 nan 8.230 nan 0.000 0.434 265 V N 2.939 122.774 119.914 -0.131 0.000 2.843 265 V HA 0.098 4.218 4.120 -0.000 0.000 0.305 265 V C -0.060 175.985 176.094 -0.082 0.000 1.065 265 V CA 0.304 62.575 62.300 -0.047 0.000 1.116 265 V CB 1.701 33.568 31.823 0.074 0.000 0.968 265 V HN 0.817 nan 8.190 nan 0.000 0.487 266 E N 7.263 127.465 120.200 0.003 0.000 2.246 266 E HA 0.544 4.894 4.350 -0.000 0.000 0.266 266 E C -2.809 173.885 176.600 0.156 0.000 0.880 266 E CA -2.297 54.151 56.400 0.080 0.000 0.762 266 E CB 2.361 32.062 29.700 0.001 0.000 1.180 266 E HN 0.496 nan 8.360 nan 0.000 0.416 267 P HA 0.245 nan 4.420 nan 0.000 0.284 267 P C -2.610 174.810 177.300 0.200 0.000 1.343 267 P CA -1.500 61.732 63.100 0.221 0.000 0.826 267 P CB 0.627 32.448 31.700 0.202 0.000 0.956 268 P HA 0.167 nan 4.420 nan 0.000 0.274 268 P C -1.771 175.621 177.300 0.152 0.000 1.237 268 P CA -1.390 61.800 63.100 0.150 0.000 0.793 268 P CB 0.161 31.928 31.700 0.113 0.000 0.977 269 P HA 0.067 nan 4.420 nan 0.000 0.257 269 P C 0.931 178.273 177.300 0.071 0.000 1.241 269 P CA 0.731 63.866 63.100 0.058 0.000 0.816 269 P CB 0.512 32.207 31.700 -0.007 0.000 1.150 270 Q N 0.017 119.890 119.800 0.122 0.000 2.339 270 Q HA 0.205 4.545 4.340 -0.000 0.000 0.205 270 Q C 1.346 177.507 176.000 0.269 0.000 0.925 270 Q CA 0.933 56.850 55.803 0.189 0.000 0.898 270 Q CB -0.163 28.655 28.738 0.133 0.000 1.013 270 Q HN 0.294 nan 8.270 nan 0.000 0.504 271 G N 0.733 109.654 108.800 0.202 0.000 2.750 271 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.228 271 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.228 271 G C -0.509 174.479 174.900 0.146 0.000 1.367 271 G CA -0.241 44.961 45.100 0.169 0.000 0.871 271 G HN 0.453 nan 8.290 nan 0.000 0.560 272 C N -0.481 118.900 119.300 0.134 0.000 3.082 272 C HA 0.668 5.128 4.460 -0.000 0.000 0.324 272 C C 0.163 175.086 174.990 -0.113 0.000 1.210 272 C CA -0.193 58.827 59.018 0.004 0.000 1.366 272 C CB 1.483 29.143 27.740 -0.133 0.000 1.756 272 C HN 1.167 nan 8.230 nan 0.000 0.485 273 Q N 2.072 121.582 119.800 -0.482 0.000 2.392 273 Q HA 0.508 4.848 4.340 -0.000 0.000 0.262 273 Q C -0.003 175.837 176.000 -0.267 0.000 1.003 273 Q CA 0.731 56.190 55.803 -0.573 0.000 0.888 273 Q CB 1.334 29.237 28.738 -1.392 0.000 1.260 273 Q HN 1.066 nan 8.270 nan 0.000 0.435 274 G N 1.044 109.805 108.800 -0.064 0.000 2.680 274 G HA2 0.492 4.452 3.960 -0.000 0.000 0.290 274 G HA3 0.492 4.452 3.960 -0.000 0.000 0.290 274 G C -1.619 173.273 174.900 -0.012 0.000 1.355 274 G CA -0.423 44.664 45.100 -0.021 0.000 0.903 274 G HN 0.539 nan 8.290 nan 0.000 0.474 275 S N -1.455 114.210 115.700 -0.058 0.000 2.536 275 S HA 0.747 5.217 4.470 -0.000 0.000 0.298 275 S C -1.255 173.492 174.600 0.244 0.000 1.083 275 S CA -0.646 57.635 58.200 0.134 0.000 0.995 275 S CB 1.763 65.076 63.200 0.187 0.000 1.058 275 S HN 1.293 nan 8.310 nan 0.000 0.488 276 V N 6.098 126.230 119.914 0.364 0.000 2.808 276 V HA 0.805 4.925 4.120 -0.000 0.000 0.308 276 V C -1.220 175.139 176.094 0.441 0.000 1.099 276 V CA -0.741 61.815 62.300 0.427 0.000 0.920 276 V CB 1.599 33.668 31.823 0.411 0.000 1.014 276 V HN 0.931 nan 8.190 nan 0.000 0.425 277 I N 3.084 123.904 120.570 0.415 0.000 2.994 277 I HA 0.887 5.057 4.170 -0.000 0.000 0.306 277 I C -0.372 175.988 176.117 0.405 0.000 1.195 277 I CA -0.614 60.924 61.300 0.397 0.000 1.001 277 I CB 2.380 40.568 38.000 0.312 0.000 1.244 277 I HN 0.649 nan 8.210 nan 0.000 0.437 278 S N 2.489 118.407 115.700 0.363 0.000 2.681 278 S HA 0.907 5.376 4.470 -0.000 0.000 0.299 278 S C -0.713 174.142 174.600 0.424 0.000 1.113 278 S CA -0.513 57.868 58.200 0.302 0.000 1.013 278 S CB 1.631 64.946 63.200 0.192 0.000 1.076 278 S HN 0.939 nan 8.310 nan 0.000 0.534 279 F N -2.858 117.223 119.950 0.218 0.000 2.678 279 F HA 0.739 5.266 4.527 -0.000 0.000 0.308 279 F C -3.546 172.311 175.800 0.094 0.000 1.118 279 F CA -2.534 55.575 58.000 0.182 0.000 0.959 279 F CB 0.301 39.478 39.000 0.295 0.000 1.305 279 F HN 0.338 nan 8.300 nan 0.000 0.443 280 P HA 0.048 nan 4.420 nan 0.000 0.262 280 P C -0.214 176.938 177.300 -0.246 0.000 1.182 280 P CA 0.260 63.333 63.100 -0.044 0.000 0.761 280 P CB 0.889 32.604 31.700 0.026 0.000 0.795 281 S N 4.922 120.346 115.700 -0.460 0.000 2.552 281 S HA 0.064 4.533 4.470 -0.000 0.000 0.289 281 S C -1.058 173.155 174.600 -0.645 0.000 1.304 281 S CA -0.887 56.759 58.200 -0.925 0.000 1.063 281 S CB -0.285 62.501 63.200 -0.689 0.000 0.848 281 S HN 0.361 nan 8.310 nan 0.000 0.499 282 P HA 0.112 nan 4.420 nan 0.000 0.249 282 P C -0.066 177.029 177.300 -0.342 0.000 1.241 282 P CA 0.251 63.103 63.100 -0.413 0.000 0.781 282 P CB 0.193 31.690 31.700 -0.339 0.000 1.088 289 P HA 0.419 nan 4.420 nan 0.000 0.268 289 P C 0.546 177.869 177.300 0.040 0.000 1.205 289 P CA 0.403 63.536 63.100 0.054 0.000 0.771 289 P CB 0.821 32.563 31.700 0.070 0.000 0.858 290 A N 2.697 125.522 122.820 0.008 0.000 1.969 290 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 290 A C 0.941 178.492 177.584 -0.055 0.000 1.169 290 A CA 1.299 53.322 52.037 -0.022 0.000 0.635 290 A CB -0.345 18.650 19.000 -0.008 0.000 0.810 290 A HN 0.699 nan 8.150 nan 0.000 0.445 291 Q N -2.968 116.820 119.800 -0.020 0.000 2.433 291 Q HA 0.563 4.903 4.340 -0.000 0.000 0.279 291 Q C -1.364 174.664 176.000 0.048 0.000 1.105 291 Q CA -0.441 55.320 55.803 -0.070 0.000 0.815 291 Q CB 1.595 30.315 28.738 -0.029 0.000 1.403 291 Q HN 0.510 nan 8.270 nan 0.000 0.435 292 W N 0.774 121.738 121.300 -0.560 0.000 2.850 292 W HA 0.696 5.356 4.660 -0.000 0.000 0.349 292 W C -1.019 175.192 176.519 -0.513 0.000 1.133 292 W CA -0.801 56.178 57.345 -0.611 0.000 1.117 292 W CB 0.830 29.784 29.460 -0.843 0.000 1.442 292 W HN 0.438 nan 8.180 nan 0.000 0.575 293 L N 2.435 123.617 121.223 -0.068 0.000 2.342 293 L HA 0.605 4.945 4.340 -0.000 0.000 0.271 293 L C -0.974 176.132 176.870 0.393 0.000 1.008 293 L CA -1.247 53.684 54.840 0.152 0.000 0.818 293 L CB 1.697 43.793 42.059 0.062 0.000 1.296 293 L HN 0.110 nan 8.230 nan 0.000 0.427 294 L N 2.873 124.426 121.223 0.551 0.000 2.365 294 L HA 0.567 4.907 4.340 -0.000 0.000 0.273 294 L C -1.440 175.748 176.870 0.531 0.000 1.000 294 L CA -0.258 54.877 54.840 0.491 0.000 0.819 294 L CB 1.720 43.860 42.059 0.134 0.000 1.284 294 L HN 0.467 nan 8.230 nan 0.000 0.418 295 Y N 2.881 123.412 120.300 0.384 0.000 2.492 295 Y HA 0.754 5.304 4.550 -0.000 0.000 0.346 295 Y C -1.057 174.979 175.900 0.226 0.000 0.997 295 Y CA -0.361 57.866 58.100 0.211 0.000 1.025 295 Y CB 2.081 40.495 38.460 -0.077 0.000 1.263 295 Y HN 0.765 nan 8.280 nan 0.000 0.454 296 T N 3.174 117.485 114.554 -0.406 0.000 2.876 296 T HA 0.596 4.946 4.350 -0.000 0.000 0.289 296 T C -1.462 172.894 174.700 -0.574 0.000 1.014 296 T CA -0.530 61.381 62.100 -0.314 0.000 0.986 296 T CB 1.822 70.644 68.868 -0.077 0.000 1.021 296 T HN 0.974 nan 8.240 nan 0.000 0.458 297 H N 1.021 119.846 119.070 -0.408 0.000 2.984 297 H HA 0.303 4.859 4.556 -0.000 0.000 0.298 297 H C -3.415 171.877 175.328 -0.060 0.000 1.378 297 H CA -0.998 54.875 56.048 -0.292 0.000 1.241 297 H CB 1.591 31.085 29.762 -0.447 0.000 1.894 297 H HN 0.425 nan 8.280 nan 0.000 0.511 298 P HA 0.059 nan 4.420 nan 0.000 0.269 298 P C 0.518 177.968 177.300 0.249 0.000 1.215 298 P CA 0.680 63.766 63.100 -0.024 0.000 0.780 298 P CB 0.701 32.313 31.700 -0.147 0.000 0.898 299 T N -2.980 111.666 114.554 0.154 0.000 3.044 299 T HA 0.045 4.395 4.350 -0.000 0.000 0.260 299 T C 0.643 175.415 174.700 0.120 0.000 1.019 299 T CA 0.155 62.360 62.100 0.175 0.000 0.921 299 T CB -0.492 68.412 68.868 0.060 0.000 1.053 299 T HN 0.351 nan 8.240 nan 0.000 0.533 300 H N 2.408 121.480 119.070 0.004 0.000 2.732 300 H HA 0.251 4.807 4.556 -0.000 0.000 0.351 300 H C 1.511 176.842 175.328 0.005 0.000 1.090 300 H CA 0.775 56.789 56.048 -0.057 0.000 1.431 300 H CB 1.795 31.446 29.762 -0.185 0.000 1.447 300 H HN 0.344 nan 8.280 nan 0.000 0.582 301 S N 4.255 119.945 115.700 -0.017 0.000 2.423 301 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 301 S C 1.358 176.217 174.600 0.432 0.000 1.014 301 S CA 1.022 59.345 58.200 0.205 0.000 0.965 301 S CB -0.091 63.225 63.200 0.194 0.000 0.785 301 S HN 0.857 nan 8.310 nan 0.000 0.495 302 W N -0.246 121.300 121.300 0.411 0.000 1.807 302 W HA 0.508 5.168 4.660 -0.000 0.000 0.251 302 W C -0.285 176.302 176.519 0.114 0.000 0.848 302 W CA -0.629 56.850 57.345 0.223 0.000 1.157 302 W CB -0.305 29.250 29.460 0.159 0.000 0.992 302 W HN 0.214 nan 8.180 nan 0.000 0.506 303 Q N 1.368 120.957 119.800 -0.351 0.000 2.416 303 Q HA 0.495 4.834 4.340 -0.000 0.000 0.279 303 Q C -0.397 175.441 176.000 -0.269 0.000 1.101 303 Q CA -0.989 54.473 55.803 -0.568 0.000 0.830 303 Q CB 2.591 30.553 28.738 -1.293 0.000 1.402 303 Q HN -0.129 nan 8.270 nan 0.000 0.445 304 R N 0.809 121.193 120.500 -0.194 0.000 2.593 304 R HA 0.544 4.884 4.340 -0.000 0.000 0.282 304 R C -0.986 175.214 176.300 -0.167 0.000 1.300 304 R CA -0.049 55.980 56.100 -0.119 0.000 1.221 304 R CB 0.291 30.564 30.300 -0.044 0.000 1.157 304 R HN 0.489 nan 8.270 nan 0.000 0.555 305 A N 1.564 124.296 122.820 -0.147 0.000 2.609 305 A HA 0.431 4.751 4.320 -0.000 0.000 0.291 305 A C -1.285 176.262 177.584 -0.062 0.000 1.096 305 A CA -0.889 51.071 52.037 -0.129 0.000 0.684 305 A CB 1.147 20.028 19.000 -0.198 0.000 1.282 305 A HN 0.589 nan 8.150 nan 0.000 0.412 306 D N -0.316 120.039 120.400 -0.075 0.000 3.133 306 D HA -0.132 4.508 4.640 -0.000 0.000 0.239 306 D C -0.373 175.862 176.300 -0.107 0.000 1.136 306 D CA 0.927 54.878 54.000 -0.081 0.000 0.898 306 D CB -1.093 39.683 40.800 -0.040 0.000 0.959 306 D HN 0.734 nan 8.370 nan 0.000 0.415 307 L N 0.763 121.878 121.223 -0.181 0.000 2.499 307 L HA 0.400 4.740 4.340 -0.000 0.000 0.273 307 L C 1.047 177.791 176.870 -0.210 0.000 1.195 307 L CA 0.990 55.693 54.840 -0.228 0.000 0.882 307 L CB 0.702 42.492 42.059 -0.448 0.000 1.133 307 L HN 0.328 nan 8.230 nan 0.000 0.483 308 G N 3.615 112.341 108.800 -0.123 0.000 2.519 308 G HA2 0.766 4.726 3.960 -0.000 0.000 0.307 308 G HA3 0.766 4.726 3.960 -0.000 0.000 0.307 308 G C -1.658 173.198 174.900 -0.074 0.000 1.266 308 G CA -0.303 44.691 45.100 -0.178 0.000 0.970 308 G HN 0.952 nan 8.290 nan 0.000 0.481 309 A N 0.464 123.208 122.820 -0.126 0.000 2.304 309 A HA 0.812 5.131 4.320 -0.000 0.000 0.323 309 A C -1.497 176.288 177.584 0.336 0.000 1.195 309 A CA -0.540 51.580 52.037 0.138 0.000 0.826 309 A CB 0.763 19.778 19.000 0.026 0.000 1.184 309 A HN 0.587 nan 8.150 nan 0.000 0.496 310 Y N 0.782 121.346 120.300 0.440 0.000 2.485 310 Y HA 0.662 5.211 4.550 -0.000 0.000 0.345 310 Y C -0.311 175.927 175.900 0.564 0.000 0.998 310 Y CA -1.082 57.337 58.100 0.531 0.000 1.059 310 Y CB 1.991 40.715 38.460 0.440 0.000 1.234 310 Y HN 0.625 nan 8.280 nan 0.000 0.461 311 L N 2.952 124.461 121.223 0.478 0.000 2.346 311 L HA 0.595 4.935 4.340 -0.000 0.000 0.274 311 L C -1.130 175.647 176.870 -0.154 0.000 1.007 311 L CA -0.507 54.370 54.840 0.062 0.000 0.818 311 L CB 1.619 43.348 42.059 -0.550 0.000 1.284 311 L HN 0.703 nan 8.230 nan 0.000 0.424 312 N N 5.114 123.486 118.700 -0.547 0.000 2.573 312 N HA 0.430 5.170 4.740 -0.000 0.000 0.262 312 N C -2.403 172.569 175.510 -0.897 0.000 1.029 312 N CA -1.691 50.773 53.050 -0.976 0.000 0.882 312 N CB 2.395 39.794 38.487 -1.814 0.000 1.204 312 N HN 0.420 nan 8.380 nan 0.000 0.519 313 P HA 0.108 nan 4.420 nan 0.000 0.249 313 P C -0.344 176.469 177.300 -0.813 0.000 1.229 313 P CA 0.384 62.509 63.100 -1.624 0.000 0.788 313 P CB 0.555 31.302 31.700 -1.589 0.000 1.072 314 R N 0.678 120.843 120.500 -0.557 0.000 2.638 314 R HA 0.293 4.633 4.340 -0.000 0.000 0.269 314 R C -2.522 173.589 176.300 -0.314 0.000 1.393 314 R CA -1.551 54.355 56.100 -0.323 0.000 1.531 314 R CB 0.878 31.025 30.300 -0.255 0.000 1.327 314 R HN 0.199 nan 8.270 nan 0.000 0.709 315 P HA 0.070 nan 4.420 nan 0.000 0.269 315 P C -2.176 175.036 177.300 -0.147 0.000 1.209 315 P CA -0.749 62.182 63.100 -0.282 0.000 0.776 315 P CB 0.958 32.516 31.700 -0.236 0.000 0.876 316 P HA 0.184 nan 4.420 nan 0.000 0.262 316 P C 0.108 177.338 177.300 -0.118 0.000 1.651 316 P CA -0.305 62.728 63.100 -0.112 0.000 1.119 316 P CB -0.107 31.600 31.700 0.011 0.000 1.552 317 A N 2.384 125.106 122.820 -0.163 0.000 2.563 317 A HA 0.068 4.388 4.320 -0.000 0.000 0.256 317 A C -1.123 176.395 177.584 -0.110 0.000 1.056 317 A CA -0.368 51.596 52.037 -0.123 0.000 0.775 317 A CB -0.513 18.402 19.000 -0.141 0.000 0.973 317 A HN 0.123 nan 8.150 nan 0.000 0.516 318 P HA -0.208 nan 4.420 nan 0.000 0.216 318 P C 1.344 178.731 177.300 0.145 0.000 1.150 318 P CA 1.603 64.793 63.100 0.150 0.000 0.843 318 P CB 0.215 31.961 31.700 0.077 0.000 0.787 319 E N -0.237 119.981 120.200 0.030 0.000 2.502 319 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 319 E C 1.366 177.951 176.600 -0.025 0.000 1.062 319 E CA 0.836 57.246 56.400 0.018 0.000 0.867 319 E CB -0.847 28.849 29.700 -0.007 0.000 0.888 319 E HN 0.147 nan 8.360 nan 0.000 0.510 320 A N 0.341 123.089 122.820 -0.122 0.000 2.238 320 A HA 0.142 4.462 4.320 -0.000 0.000 0.210 320 A C 0.255 177.687 177.584 -0.253 0.000 1.179 320 A CA -0.562 51.338 52.037 -0.228 0.000 0.827 320 A CB -0.622 18.172 19.000 -0.344 0.000 0.856 320 A HN 0.224 nan 8.150 nan 0.000 0.488 321 W N 1.856 123.097 121.300 -0.099 0.000 2.223 321 W HA 0.299 4.959 4.660 -0.000 0.000 0.334 321 W C 1.172 177.691 176.519 0.000 0.000 1.334 321 W CA 0.580 57.889 57.345 -0.061 0.000 1.246 321 W CB 0.637 30.053 29.460 -0.073 0.000 1.184 321 W HN 0.320 nan 8.180 nan 0.000 0.563 322 S N 1.890 117.779 115.700 0.316 0.000 2.655 322 S HA 0.309 4.779 4.470 -0.000 0.000 0.265 322 S C -0.030 174.750 174.600 0.301 0.000 1.240 322 S CA -0.931 57.403 58.200 0.224 0.000 0.986 322 S CB 0.822 64.120 63.200 0.164 0.000 0.985 322 S HN 0.552 nan 8.310 nan 0.000 0.562 323 E N 1.918 122.228 120.200 0.183 0.000 2.390 323 E HA 0.281 4.631 4.350 -0.000 0.000 0.261 323 E C -2.089 174.512 176.600 0.002 0.000 1.076 323 E CA -1.757 54.705 56.400 0.103 0.000 0.905 323 E CB 0.221 29.954 29.700 0.054 0.000 0.984 323 E HN 0.543 nan 8.360 nan 0.000 0.427 324 P HA 0.053 nan 4.420 nan 0.000 0.276 324 P C -0.667 176.444 177.300 -0.315 0.000 1.244 324 P CA -0.343 62.383 63.100 -0.623 0.000 0.801 324 P CB 0.936 31.864 31.700 -1.287 0.000 1.006 325 V N 0.112 119.829 119.914 -0.328 0.000 2.513 325 V HA 0.347 4.467 4.120 -0.000 0.000 0.299 325 V C 0.056 175.944 176.094 -0.343 0.000 1.035 325 V CA -1.137 60.950 62.300 -0.355 0.000 0.889 325 V CB 1.394 32.860 31.823 -0.596 0.000 0.988 325 V HN 0.301 nan 8.190 nan 0.000 0.440 326 L N 5.078 126.134 121.223 -0.278 0.000 2.433 326 L HA 0.274 4.614 4.340 -0.000 0.000 0.275 326 L C 0.956 177.652 176.870 -0.291 0.000 1.128 326 L CA 0.485 55.176 54.840 -0.249 0.000 0.875 326 L CB 0.873 42.823 42.059 -0.182 0.000 1.171 326 L HN 0.857 nan 8.230 nan 0.000 0.463 327 L N 3.613 124.642 121.223 -0.324 0.000 2.298 327 L HA 0.220 4.560 4.340 -0.000 0.000 0.209 327 L C 0.643 177.342 176.870 -0.286 0.000 1.084 327 L CA 0.297 54.912 54.840 -0.375 0.000 0.816 327 L CB 0.150 41.938 42.059 -0.453 0.000 0.967 327 L HN 0.732 nan 8.230 nan 0.000 0.460 328 A N 0.011 122.672 122.820 -0.263 0.000 2.512 328 A HA 0.467 4.787 4.320 -0.000 0.000 0.294 328 A C -0.997 176.505 177.584 -0.136 0.000 1.054 328 A CA -0.725 51.207 52.037 -0.175 0.000 0.756 328 A CB 1.030 19.917 19.000 -0.188 0.000 1.293 328 A HN -0.041 nan 8.150 nan 0.000 0.395 329 K N 1.008 121.358 120.400 -0.083 0.000 2.126 329 K HA 0.689 5.009 4.320 -0.000 0.000 0.257 329 K C 0.771 177.342 176.600 -0.049 0.000 1.007 329 K CA 0.535 56.782 56.287 -0.067 0.000 0.928 329 K CB 1.061 33.530 32.500 -0.053 0.000 1.013 329 K HN 2.003 nan 8.250 nan 0.000 0.473 330 G N 0.501 109.269 108.800 -0.054 0.000 2.660 330 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.215 330 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.215 330 G C -0.456 174.399 174.900 -0.076 0.000 1.345 330 G CA -0.400 44.666 45.100 -0.058 0.000 0.877 330 G HN 0.545 nan 8.290 nan 0.000 0.549 331 S N -0.500 115.149 115.700 -0.086 0.000 2.546 331 S HA 0.439 4.909 4.470 -0.000 0.000 0.290 331 S C 0.594 175.142 174.600 -0.088 0.000 1.262 331 S CA 0.909 59.036 58.200 -0.122 0.000 1.083 331 S CB -1.469 61.644 63.200 -0.146 0.000 0.859 331 S HN 2.190 nan 8.310 nan 0.000 0.495 332 C N 3.454 122.693 119.300 -0.100 0.000 2.985 332 C HA 0.975 5.434 4.460 -0.000 0.000 0.314 332 C C 0.361 175.318 174.990 -0.055 0.000 1.215 332 C CA -0.096 58.911 59.018 -0.017 0.000 1.414 332 C CB 0.847 28.559 27.740 -0.048 0.000 1.842 332 C HN 1.025 nan 8.230 nan 0.000 0.477 333 A N 0.892 123.735 122.820 0.039 0.000 2.905 333 A HA 0.797 5.117 4.320 -0.000 0.000 0.193 333 A C -0.795 176.940 177.584 0.250 0.000 1.268 333 A CA -0.220 51.896 52.037 0.131 0.000 1.416 333 A CB -0.515 18.615 19.000 0.217 0.000 1.753 333 A HN 0.896 nan 8.150 nan 0.000 0.583 334 Y N 0.900 121.256 120.300 0.094 0.000 2.550 334 Y HA 0.509 5.059 4.550 -0.000 0.000 0.343 334 Y C 1.036 177.018 175.900 0.137 0.000 1.245 334 Y CA 0.387 58.544 58.100 0.095 0.000 1.462 334 Y CB 0.611 39.149 38.460 0.129 0.000 1.340 334 Y HN 0.508 nan 8.280 nan 0.000 0.604 335 S N 0.590 116.440 115.700 0.251 0.000 2.638 335 S HA 0.574 5.043 4.470 -0.000 0.000 0.274 335 S C -2.130 172.615 174.600 0.242 0.000 1.157 335 S CA -0.696 57.658 58.200 0.256 0.000 0.826 335 S CB 1.823 65.131 63.200 0.180 0.000 1.139 335 S HN 0.635 nan 8.310 nan 0.000 0.474 336 D N 0.994 121.565 120.400 0.285 0.000 2.947 336 D HA 0.546 5.186 4.640 -0.000 0.000 0.224 336 D C -1.400 175.080 176.300 0.300 0.000 1.230 336 D CA -0.258 53.935 54.000 0.320 0.000 0.871 336 D CB 1.396 42.419 40.800 0.371 0.000 1.671 336 D HN 0.502 nan 8.370 nan 0.000 0.507 337 L N 2.232 123.611 121.223 0.260 0.000 2.330 337 L HA 0.642 4.982 4.340 -0.000 0.000 0.271 337 L C -0.309 176.598 176.870 0.062 0.000 1.013 337 L CA -0.755 54.195 54.840 0.183 0.000 0.816 337 L CB 1.761 43.921 42.059 0.168 0.000 1.287 337 L HN 0.239 nan 8.230 nan 0.000 0.435 338 Q N 1.000 120.871 119.800 0.117 0.000 2.309 338 Q HA 0.315 4.654 4.340 -0.000 0.000 0.273 338 Q C -1.103 174.946 176.000 0.082 0.000 1.040 338 Q CA -0.556 55.294 55.803 0.077 0.000 0.834 338 Q CB 2.512 31.342 28.738 0.154 0.000 1.345 338 Q HN 0.745 nan 8.270 nan 0.000 0.414 339 S N 1.122 116.851 115.700 0.049 0.000 2.584 339 S HA 0.613 5.083 4.470 -0.000 0.000 0.273 339 S C 0.488 174.784 174.600 -0.506 0.000 1.311 339 S CA -0.478 57.640 58.200 -0.137 0.000 1.034 339 S CB 0.707 63.894 63.200 -0.022 0.000 0.939 339 S HN 0.651 nan 8.310 nan 0.000 0.513 340 M N 2.367 121.490 119.600 -0.795 0.000 3.002 340 M HA 0.373 4.852 4.480 -0.000 0.000 0.398 340 M C 0.853 176.606 176.300 -0.911 0.000 1.366 340 M CA -0.067 54.407 55.300 -1.376 0.000 0.824 340 M CB 0.345 32.317 32.600 -1.046 0.000 1.414 340 M HN 1.190 nan 8.290 nan 0.000 0.501 341 G N 0.813 109.277 108.800 -0.559 0.000 2.525 341 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 341 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 341 G C -0.440 174.253 174.900 -0.345 0.000 1.238 341 G CA -0.524 44.390 45.100 -0.309 0.000 0.926 341 G HN 0.309 nan 8.290 nan 0.000 0.574 342 T N 1.349 115.759 114.554 -0.241 0.000 2.795 342 T HA 0.633 4.983 4.350 -0.000 0.000 0.282 342 T C 0.941 175.511 174.700 -0.216 0.000 0.980 342 T CA 0.555 62.526 62.100 -0.214 0.000 1.012 342 T CB 1.398 70.197 68.868 -0.115 0.000 0.936 342 T HN 1.423 nan 8.240 nan 0.000 0.457 343 G N 2.603 111.267 108.800 -0.226 0.000 2.562 343 G HA2 0.370 4.330 3.960 -0.000 0.000 0.275 343 G HA3 0.370 4.330 3.960 -0.000 0.000 0.275 343 G C -1.560 173.288 174.900 -0.088 0.000 1.196 343 G CA -1.491 43.509 45.100 -0.168 0.000 0.908 343 G HN 0.404 nan 8.290 nan 0.000 0.524 344 P HA -0.093 nan 4.420 nan 0.000 0.217 344 P C 1.055 178.297 177.300 -0.097 0.000 1.148 344 P CA 1.554 64.607 63.100 -0.079 0.000 0.828 344 P CB 0.148 31.736 31.700 -0.187 0.000 0.783 345 D N -2.452 117.882 120.400 -0.111 0.000 2.349 345 D HA 0.104 4.744 4.640 -0.000 0.000 0.224 345 D C 1.439 177.681 176.300 -0.096 0.000 1.029 345 D CA 0.687 54.622 54.000 -0.109 0.000 0.879 345 D CB -0.854 39.864 40.800 -0.135 0.000 0.906 345 D HN 0.226 nan 8.370 nan 0.000 0.528 346 G N -0.255 108.494 108.800 -0.085 0.000 2.194 346 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.236 346 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.236 346 G C 0.417 175.285 174.900 -0.053 0.000 0.987 346 G CA 0.348 45.415 45.100 -0.055 0.000 0.635 346 G HN 0.861 nan 8.290 nan 0.000 0.520 347 S N 0.102 115.737 115.700 -0.107 0.000 2.722 347 S HA 0.779 5.249 4.470 -0.000 0.000 0.292 347 S C -2.639 171.864 174.600 -0.163 0.000 1.135 347 S CA -1.521 56.632 58.200 -0.078 0.000 1.003 347 S CB 2.407 65.490 63.200 -0.196 0.000 1.067 347 S HN 0.058 nan 8.310 nan 0.000 0.546 348 P HA 0.152 nan 4.420 nan 0.000 0.262 348 P C -0.888 175.926 177.300 -0.811 0.000 1.182 348 P CA -0.126 62.664 63.100 -0.516 0.000 0.761 348 P CB 0.184 31.528 31.700 -0.593 0.000 0.795 349 L N 5.454 126.151 121.223 -0.876 0.000 2.307 349 L HA 0.588 4.928 4.340 -0.000 0.000 0.282 349 L C -1.086 175.096 176.870 -1.146 0.000 1.051 349 L CA 0.002 54.357 54.840 -0.809 0.000 0.804 349 L CB -0.014 41.690 42.059 -0.592 0.000 1.197 349 L HN 0.169 nan 8.230 nan 0.000 0.431 350 F N 2.166 121.761 119.950 -0.591 0.000 2.576 350 F HA 0.758 5.285 4.527 -0.000 0.000 0.313 350 F C 0.587 176.051 175.800 -0.561 0.000 1.078 350 F CA -0.665 56.950 58.000 -0.641 0.000 0.921 350 F CB 2.215 40.662 39.000 -0.921 0.000 1.232 350 F HN 0.541 nan 8.300 nan 0.000 0.459 351 G N 0.156 108.925 108.800 -0.051 0.000 2.513 351 G HA2 0.544 4.503 3.960 -0.000 0.000 0.317 351 G HA3 0.544 4.503 3.960 -0.000 0.000 0.317 351 G C -2.020 172.995 174.900 0.192 0.000 1.277 351 G CA -0.765 44.405 45.100 0.117 0.000 0.955 351 G HN 0.877 nan 8.290 nan 0.000 0.484 352 C N 3.395 122.798 119.300 0.171 0.000 2.481 352 C HA 0.753 5.212 4.460 -0.000 0.000 0.324 352 C C -1.076 174.144 174.990 0.383 0.000 1.170 352 C CA -0.781 58.419 59.018 0.303 0.000 1.361 352 C CB 0.503 28.454 27.740 0.351 0.000 1.977 352 C HN 0.697 nan 8.230 nan 0.000 0.459 353 L N 7.355 128.830 121.223 0.420 0.000 2.305 353 L HA 0.780 5.120 4.340 -0.000 0.000 0.284 353 L C -0.699 176.391 176.870 0.366 0.000 1.013 353 L CA -0.014 55.051 54.840 0.375 0.000 0.819 353 L CB 1.146 43.421 42.059 0.360 0.000 1.227 353 L HN 0.777 nan 8.230 nan 0.000 0.417 354 Y N 1.095 121.493 120.300 0.164 0.000 2.571 354 Y HA 0.659 5.209 4.550 -0.000 0.000 0.341 354 Y C -0.828 175.135 175.900 0.105 0.000 1.076 354 Y CA -1.206 56.971 58.100 0.130 0.000 1.029 354 Y CB 0.984 39.492 38.460 0.081 0.000 1.308 354 Y HN 0.578 nan 8.280 nan 0.000 0.461 355 E N 2.041 122.360 120.200 0.197 0.000 2.338 355 E HA 0.610 4.960 4.350 -0.000 0.000 0.272 355 E C -0.729 175.908 176.600 0.061 0.000 1.029 355 E CA -0.328 56.123 56.400 0.085 0.000 0.872 355 E CB 1.249 31.039 29.700 0.149 0.000 1.015 355 E HN 0.817 nan 8.360 nan 0.000 0.417 356 A N 3.015 125.801 122.820 -0.056 0.000 2.593 356 A HA 0.514 4.834 4.320 -0.000 0.000 0.290 356 A C -0.422 177.105 177.584 -0.095 0.000 1.126 356 A CA -0.742 51.273 52.037 -0.036 0.000 0.695 356 A CB 1.253 20.267 19.000 0.023 0.000 1.290 356 A HN 0.664 nan 8.150 nan 0.000 0.414 357 N N 0.336 118.985 118.700 -0.085 0.000 2.671 357 N HA -0.173 4.567 4.740 -0.000 0.000 0.261 357 N C -0.175 175.281 175.510 -0.089 0.000 1.053 357 N CA 1.791 54.795 53.050 -0.077 0.000 0.732 357 N CB -1.038 37.421 38.487 -0.047 0.000 0.887 357 N HN 1.136 nan 8.380 nan 0.000 0.546 358 D N 0.451 120.748 120.400 -0.171 0.000 2.708 358 D HA -0.278 4.362 4.640 -0.000 0.000 0.236 358 D C -0.377 175.986 176.300 0.106 0.000 1.146 358 D CA 1.787 55.724 54.000 -0.105 0.000 0.662 358 D CB -1.383 39.471 40.800 0.090 0.000 1.059 358 D HN 0.711 nan 8.370 nan 0.000 0.428 359 Y N -2.754 117.609 120.300 0.104 0.000 4.409 359 Y HA -0.300 4.250 4.550 -0.000 0.000 0.228 359 Y C 1.484 177.423 175.900 0.065 0.000 1.108 359 Y CA 1.145 59.314 58.100 0.114 0.000 1.955 359 Y CB -2.191 36.366 38.460 0.162 0.000 1.615 359 Y HN 0.436 nan 8.280 nan 0.000 0.665 360 E N 0.736 120.960 120.200 0.040 0.000 2.474 360 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 360 E C 0.830 177.431 176.600 0.002 0.000 1.041 360 E CA 0.852 57.205 56.400 -0.077 0.000 0.874 360 E CB 0.328 29.952 29.700 -0.128 0.000 0.914 360 E HN 0.758 nan 8.360 nan 0.000 0.498 361 E N -0.112 120.102 120.200 0.023 0.000 2.423 361 E HA 0.430 4.780 4.350 -0.000 0.000 0.280 361 E C -1.120 175.480 176.600 0.001 0.000 1.030 361 E CA -0.731 55.684 56.400 0.025 0.000 0.812 361 E CB 1.194 30.873 29.700 -0.035 0.000 1.313 361 E HN -0.117 nan 8.360 nan 0.000 0.456 362 I N 1.786 122.360 120.570 0.007 0.000 2.410 362 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 362 I C -0.887 175.139 176.117 -0.152 0.000 1.009 362 I CA -1.186 60.099 61.300 -0.026 0.000 1.111 362 I CB 1.923 40.023 38.000 0.165 0.000 1.262 362 I HN 0.335 nan 8.210 nan 0.000 0.443 363 V N 6.329 126.000 119.914 -0.405 0.000 2.532 363 V HA 0.351 4.471 4.120 -0.000 0.000 0.295 363 V C -0.534 175.437 176.094 -0.206 0.000 1.041 363 V CA -0.672 61.379 62.300 -0.414 0.000 0.926 363 V CB 1.941 33.344 31.823 -0.700 0.000 0.992 363 V HN 0.440 nan 8.190 nan 0.000 0.457 364 F N 5.712 125.573 119.950 -0.149 0.000 2.415 364 F HA 0.751 5.278 4.527 -0.000 0.000 0.348 364 F C -0.826 175.091 175.800 0.195 0.000 1.119 364 F CA -0.907 57.122 58.000 0.048 0.000 1.069 364 F CB 1.330 40.358 39.000 0.046 0.000 1.124 364 F HN 0.370 nan 8.300 nan 0.000 0.472 365 L N 7.761 128.689 121.223 -0.491 0.000 2.362 365 L HA 0.615 4.955 4.340 -0.000 0.000 0.275 365 L C -1.340 175.193 176.870 -0.561 0.000 0.998 365 L CA -0.584 54.081 54.840 -0.290 0.000 0.820 365 L CB 1.756 43.905 42.059 0.150 0.000 1.270 365 L HN 0.822 nan 8.230 nan 0.000 0.415 366 M N 6.023 125.431 119.600 -0.320 0.000 2.259 366 M HA 0.682 5.162 4.480 -0.000 0.000 0.304 366 M C -1.793 174.570 176.300 0.105 0.000 1.019 366 M CA -0.468 54.720 55.300 -0.187 0.000 0.922 366 M CB 1.223 33.798 32.600 -0.042 0.000 1.600 366 M HN 0.576 nan 8.290 nan 0.000 0.433 367 F N 0.784 120.735 119.950 0.002 0.000 2.711 367 F HA 0.872 5.399 4.527 -0.000 0.000 0.313 367 F C -0.910 174.934 175.800 0.073 0.000 1.141 367 F CA -0.789 57.230 58.000 0.032 0.000 0.941 367 F CB 0.905 39.917 39.000 0.021 0.000 1.349 367 F HN 0.560 nan 8.300 nan 0.000 0.464 368 T N -0.746 113.928 114.554 0.200 0.000 2.948 368 T HA 0.425 4.775 4.350 -0.000 0.000 0.285 368 T C 0.395 175.300 174.700 0.342 0.000 1.019 368 T CA -0.595 61.553 62.100 0.079 0.000 1.013 368 T CB 1.751 70.589 68.868 -0.050 0.000 1.117 368 T HN 0.925 nan 8.240 nan 0.000 0.533 369 L N 0.713 122.123 121.223 0.311 0.000 2.131 369 L HA 0.149 4.489 4.340 -0.000 0.000 0.210 369 L C 2.612 179.717 176.870 0.392 0.000 1.092 369 L CA 1.801 56.963 54.840 0.536 0.000 0.759 369 L CB -0.753 41.631 42.059 0.542 0.000 0.903 369 L HN 0.896 nan 8.230 nan 0.000 0.435 370 K N -1.141 119.233 120.400 -0.044 0.000 2.097 370 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 370 K C 2.032 178.616 176.600 -0.027 0.000 1.050 370 K CA 1.520 57.594 56.287 -0.353 0.000 0.938 370 K CB -0.039 31.999 32.500 -0.770 0.000 0.718 370 K HN 0.493 nan 8.250 nan 0.000 0.442 371 Q N -0.355 119.464 119.800 0.030 0.000 2.046 371 Q HA -0.094 4.245 4.340 -0.000 0.000 0.200 371 Q C 2.124 178.124 176.000 0.001 0.000 0.975 371 Q CA 1.463 57.287 55.803 0.035 0.000 0.836 371 Q CB -0.079 28.706 28.738 0.078 0.000 0.896 371 Q HN 0.398 nan 8.270 nan 0.000 0.428 372 A N 0.135 122.981 122.820 0.043 0.000 1.929 372 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 372 A C 0.532 177.791 177.584 -0.541 0.000 1.176 372 A CA 0.838 52.708 52.037 -0.280 0.000 0.628 372 A CB 0.085 18.957 19.000 -0.212 0.000 0.816 372 A HN 0.294 nan 8.150 nan 0.000 0.444 373 F N -0.324 119.737 119.950 0.184 0.000 2.622 373 F HA 0.306 4.833 4.527 -0.000 0.000 0.338 373 F C -1.657 174.305 175.800 0.272 0.000 1.334 373 F CA -1.944 56.184 58.000 0.212 0.000 1.179 373 F CB 1.330 40.498 39.000 0.280 0.000 1.471 373 F HN 0.076 nan 8.300 nan 0.000 0.576 374 P HA -0.262 nan 4.420 nan 0.000 0.217 374 P C 1.516 178.992 177.300 0.294 0.000 1.148 374 P CA 1.609 64.864 63.100 0.258 0.000 0.828 374 P CB 0.329 32.102 31.700 0.123 0.000 0.783 375 A N 0.391 123.362 122.820 0.251 0.000 2.070 375 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 375 A C 2.234 179.929 177.584 0.185 0.000 1.159 375 A CA 1.765 53.917 52.037 0.192 0.000 0.656 375 A CB -1.149 17.948 19.000 0.163 0.000 0.800 375 A HN 0.151 nan 8.150 nan 0.000 0.453 376 E N -1.474 118.879 120.200 0.255 0.000 2.418 376 E HA 0.030 4.380 4.350 -0.000 0.000 0.197 376 E C -0.340 176.110 176.600 -0.251 0.000 1.026 376 E CA 0.513 56.953 56.400 0.067 0.000 0.862 376 E CB -0.210 29.584 29.700 0.156 0.000 0.799 376 E HN 0.652 nan 8.360 nan 0.000 0.518 377 Y N 0.000 120.384 120.300 0.141 0.000 2.660 377 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 377 Y CA 0.000 58.161 58.100 0.101 0.000 1.940 377 Y CB 0.000 38.518 38.460 0.096 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758