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 1rjr_1_A DATA FIRST_RESID 7 DATA SEQUENCE PFDYILSGGT VIDGTNAPGR LADVGVRGDR IAAVGDLSAS SARRRIDVAG DATA SEQUENCE KVVSPGFIDS HTHDDNYLLK HRDMTPKISQ GVTTVVTGNC GISLAPLAHA DATA SEQUENCE NPPAPLDLLD EGGSFRFARF SDYLEALRAA PPAVNAACMV GHSTLRAAVM DATA SEQUENCE PDLRREATAD EIQAMQALAD DALASGAIGI STGAFYPPAA HASTEEIIEV DATA SEQUENCE CRPLITHGGV YATHMRDEGE HIVQALEETF RIGRELDVPV VISHHKVMGK DATA SEQUENCE LNFGRSKETL ALIEAAMASQ DVSLDAYPYV AGSTMLKQDR VLLAGRTLIT DATA SEQUENCE WCKPYPELSG RDLEEIAAER GKSKYDVVPE LQPAGAIYFM MDEPDVQRIL DATA SEQUENCE AFGPTMIGSA GLPHDERPHP RLWGTFPRVL GHYSRDLGLF PLETAVWKMT DATA SEQUENCE GLTAAKFGLA ERGQVQPGYY ADLVVFDPAT VADSATFEHP TERAAGIHSV DATA SEQUENCE YVNGAAVWED QSFTGQHAGR VLNR 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.301 177.300 0.002 0.000 1.155 7 P CA 0.000 62.998 63.100 -0.169 0.000 0.800 7 P CB 0.000 31.648 31.700 -0.087 0.000 0.726 8 F N 1.017 120.942 119.950 -0.041 0.000 2.450 8 F HA 0.145 4.676 4.527 0.007 0.000 0.339 8 F C 1.974 177.747 175.800 -0.045 0.000 1.146 8 F CA -0.112 57.843 58.000 -0.074 0.000 1.267 8 F CB 0.173 39.103 39.000 -0.116 0.000 1.178 8 F HN 0.246 nan 8.300 nan 0.000 0.585 9 D N 0.218 120.701 120.400 0.138 0.000 2.117 9 D HA -0.118 4.525 4.640 0.006 0.000 0.198 9 D C -0.153 176.309 176.300 0.270 0.000 0.982 9 D CA 1.973 56.075 54.000 0.169 0.000 0.828 9 D CB -0.066 40.852 40.800 0.196 0.000 0.967 9 D HN 0.551 nan 8.370 nan 0.000 0.464 10 Y N -2.108 118.248 120.300 0.093 0.000 2.624 10 Y HA 0.598 5.151 4.550 0.006 0.000 0.334 10 Y C -1.394 174.541 175.900 0.058 0.000 1.155 10 Y CA -1.361 56.779 58.100 0.066 0.000 1.046 10 Y CB 0.908 39.384 38.460 0.028 0.000 1.316 10 Y HN -0.317 nan 8.280 nan 0.000 0.457 11 I N 2.913 123.591 120.570 0.181 0.000 2.498 11 I HA 0.366 4.540 4.170 0.006 0.000 0.290 11 I C -1.091 175.100 176.117 0.124 0.000 1.032 11 I CA -0.959 60.395 61.300 0.089 0.000 1.073 11 I CB 2.197 40.277 38.000 0.134 0.000 1.251 11 I HN 0.551 nan 8.210 nan 0.000 0.426 12 L N 6.154 127.417 121.223 0.066 0.000 2.270 12 L HA 0.353 4.697 4.340 0.006 0.000 0.286 12 L C 0.185 177.068 176.870 0.022 0.000 1.059 12 L CA -0.166 54.710 54.840 0.060 0.000 0.839 12 L CB 0.623 42.698 42.059 0.027 0.000 1.221 12 L HN 0.634 nan 8.230 nan 0.000 0.431 13 S N 0.614 116.331 115.700 0.028 0.000 2.578 13 S HA 0.809 5.283 4.470 0.006 0.000 0.301 13 S C 0.762 175.361 174.600 -0.001 0.000 1.091 13 S CA 0.028 58.237 58.200 0.014 0.000 1.032 13 S CB 2.062 65.279 63.200 0.028 0.000 1.064 13 S HN 0.886 nan 8.310 nan 0.000 0.508 14 G N 0.497 109.293 108.800 -0.006 0.000 2.176 14 G HA2 -0.055 3.909 3.960 0.006 0.000 0.253 14 G HA3 -0.055 3.909 3.960 0.006 0.000 0.253 14 G C 0.514 175.399 174.900 -0.025 0.000 0.979 14 G CA 0.042 45.134 45.100 -0.012 0.000 0.641 14 G HN 1.356 nan 8.290 nan 0.000 0.530 15 G N -1.189 107.590 108.800 -0.034 0.000 2.583 15 G HA2 0.622 4.586 3.960 0.006 0.000 0.280 15 G HA3 0.622 4.586 3.960 0.006 0.000 0.280 15 G C -0.338 174.533 174.900 -0.048 0.000 1.376 15 G CA 0.404 45.473 45.100 -0.051 0.000 1.043 15 G HN 0.584 nan 8.290 nan 0.000 0.538 16 T N 0.234 114.749 114.554 -0.065 0.000 2.770 16 T HA 0.454 4.808 4.350 0.006 0.000 0.283 16 T C -0.207 174.456 174.700 -0.061 0.000 0.988 16 T CA -0.186 61.881 62.100 -0.055 0.000 0.957 16 T CB 1.504 70.339 68.868 -0.055 0.000 0.930 16 T HN 0.257 nan 8.240 nan 0.000 0.443 17 V N 5.225 125.116 119.914 -0.038 0.000 2.465 17 V HA 0.440 4.563 4.120 0.006 0.000 0.279 17 V C 0.070 176.162 176.094 -0.004 0.000 1.045 17 V CA -0.590 61.694 62.300 -0.026 0.000 0.938 17 V CB 1.168 32.976 31.823 -0.025 0.000 0.986 17 V HN 0.789 nan 8.190 nan 0.000 0.467 18 I N 4.687 125.272 120.570 0.025 0.000 2.464 18 I HA 0.253 4.427 4.170 0.006 0.000 0.277 18 I C 0.436 176.605 176.117 0.087 0.000 1.040 18 I CA -0.485 60.856 61.300 0.068 0.000 1.153 18 I CB 1.509 39.583 38.000 0.122 0.000 1.274 18 I HN 0.749 nan 8.210 nan 0.000 0.469 19 D N 4.031 124.462 120.400 0.053 0.000 2.378 19 D HA -0.023 4.621 4.640 0.006 0.000 0.227 19 D C 1.417 177.761 176.300 0.074 0.000 1.012 19 D CA 0.765 54.788 54.000 0.038 0.000 0.905 19 D CB 0.237 41.029 40.800 -0.014 0.000 0.895 19 D HN 0.748 nan 8.370 nan 0.000 0.532 20 G N -0.115 108.768 108.800 0.138 0.000 2.179 20 G HA2 -0.311 3.653 3.960 0.006 0.000 0.260 20 G HA3 -0.311 3.653 3.960 0.006 0.000 0.260 20 G C 0.920 175.985 174.900 0.274 0.000 0.977 20 G CA 0.781 46.008 45.100 0.211 0.000 0.641 20 G HN 0.726 nan 8.290 nan 0.000 0.533 21 T N -2.131 112.515 114.554 0.154 0.000 3.186 21 T HA 0.378 4.732 4.350 0.006 0.000 0.257 21 T C 0.779 175.443 174.700 -0.060 0.000 1.029 21 T CA 0.644 62.806 62.100 0.105 0.000 0.916 21 T CB 0.045 68.927 68.868 0.023 0.000 1.041 21 T HN 1.131 nan 8.240 nan 0.000 0.562 22 N N 1.137 119.799 118.700 -0.063 0.000 2.727 22 N HA -0.154 4.590 4.740 0.006 0.000 0.251 22 N C -0.491 174.916 175.510 -0.171 0.000 1.040 22 N CA 0.748 53.649 53.050 -0.248 0.000 0.712 22 N CB -1.473 36.515 38.487 -0.832 0.000 0.912 22 N HN 0.998 nan 8.380 nan 0.000 0.545 23 A N 0.695 123.473 122.820 -0.069 0.000 2.414 23 A HA 0.767 5.091 4.320 0.006 0.000 0.306 23 A C -2.491 175.083 177.584 -0.018 0.000 1.054 23 A CA -1.359 50.647 52.037 -0.053 0.000 0.724 23 A CB 1.353 20.328 19.000 -0.043 0.000 1.267 23 A HN 0.152 nan 8.150 nan 0.000 0.418 24 P HA 0.173 nan 4.420 nan 0.000 0.266 24 P C 0.678 177.982 177.300 0.007 0.000 1.186 24 P CA 0.596 63.698 63.100 0.003 0.000 0.767 24 P CB 0.528 32.227 31.700 -0.001 0.000 0.820 25 G N 2.253 111.063 108.800 0.018 0.000 2.594 25 G HA2 0.400 4.364 3.960 0.006 0.000 0.243 25 G HA3 0.400 4.364 3.960 0.006 0.000 0.243 25 G C -0.453 174.446 174.900 -0.001 0.000 1.229 25 G CA -0.510 44.596 45.100 0.010 0.000 0.843 25 G HN 0.658 nan 8.290 nan 0.000 0.578 26 R N 0.562 121.057 120.500 -0.008 0.000 2.725 26 R HA 0.484 4.828 4.340 0.006 0.000 0.277 26 R C -0.969 175.321 176.300 -0.016 0.000 0.987 26 R CA -1.113 54.980 56.100 -0.012 0.000 0.901 26 R CB 1.361 31.653 30.300 -0.013 0.000 1.207 26 R HN 0.339 nan 8.270 nan 0.000 0.463 27 L N 2.077 123.291 121.223 -0.015 0.000 2.477 27 L HA 0.460 4.803 4.340 0.006 0.000 0.272 27 L C -0.029 176.831 176.870 -0.016 0.000 1.157 27 L CA 0.351 55.181 54.840 -0.016 0.000 0.889 27 L CB 0.857 42.909 42.059 -0.012 0.000 1.158 27 L HN 0.948 nan 8.230 nan 0.000 0.473 28 A N 3.452 126.260 122.820 -0.020 0.000 2.597 28 A HA 0.544 4.868 4.320 0.006 0.000 0.292 28 A C -1.636 175.935 177.584 -0.022 0.000 1.057 28 A CA -0.919 51.106 52.037 -0.019 0.000 0.674 28 A CB 1.254 20.240 19.000 -0.024 0.000 1.278 28 A HN 0.560 nan 8.150 nan 0.000 0.416 29 D N -0.016 120.374 120.400 -0.016 0.000 2.332 29 D HA 0.584 5.228 4.640 0.006 0.000 0.252 29 D C -0.659 175.615 176.300 -0.042 0.000 1.050 29 D CA -0.146 53.845 54.000 -0.016 0.000 0.970 29 D CB 1.904 42.710 40.800 0.010 0.000 1.141 29 D HN 0.302 nan 8.370 nan 0.000 0.485 30 V N 0.271 120.146 119.914 -0.064 0.000 2.482 30 V HA 0.561 4.685 4.120 0.006 0.000 0.295 30 V C 0.365 176.334 176.094 -0.209 0.000 1.026 30 V CA -0.907 61.315 62.300 -0.129 0.000 0.856 30 V CB 1.756 33.509 31.823 -0.116 0.000 1.001 30 V HN 0.633 nan 8.190 nan 0.000 0.424 31 G N 3.312 111.902 108.800 -0.351 0.000 2.343 31 G HA2 0.629 4.593 3.960 0.006 0.000 0.319 31 G HA3 0.629 4.593 3.960 0.006 0.000 0.319 31 G C -0.967 173.453 174.900 -0.801 0.000 1.126 31 G CA -0.441 44.284 45.100 -0.625 0.000 0.889 31 G HN 0.534 nan 8.290 nan 0.000 0.457 32 V N 2.392 121.821 119.914 -0.809 0.000 2.628 32 V HA 0.645 4.769 4.120 0.006 0.000 0.306 32 V C 0.111 175.906 176.094 -0.499 0.000 1.045 32 V CA -0.935 60.930 62.300 -0.725 0.000 0.905 32 V CB 1.888 33.090 31.823 -1.035 0.000 0.997 32 V HN 0.791 nan 8.190 nan 0.000 0.436 33 R N 2.382 122.707 120.500 -0.292 0.000 2.500 33 R HA 0.572 4.916 4.340 0.006 0.000 0.299 33 R C 0.539 176.812 176.300 -0.044 0.000 1.038 33 R CA 0.616 56.660 56.100 -0.093 0.000 0.903 33 R CB 1.335 31.632 30.300 -0.005 0.000 1.177 33 R HN 1.120 nan 8.270 nan 0.000 0.455 34 G N 3.827 112.635 108.800 0.014 0.000 2.561 34 G HA2 -0.397 3.567 3.960 0.006 0.000 0.289 34 G HA3 -0.397 3.567 3.960 0.006 0.000 0.289 34 G C 0.113 175.054 174.900 0.068 0.000 1.169 34 G CA 0.562 45.693 45.100 0.052 0.000 0.980 34 G HN 0.770 nan 8.290 nan 0.000 0.550 35 D N 1.039 121.490 120.400 0.086 0.000 2.342 35 D HA 0.216 4.859 4.640 0.006 0.000 0.221 35 D C 0.953 177.330 176.300 0.128 0.000 1.101 35 D CA 0.240 54.329 54.000 0.149 0.000 0.837 35 D CB 0.110 41.047 40.800 0.227 0.000 0.938 35 D HN 0.486 nan 8.370 nan 0.000 0.508 36 R N 0.289 120.791 120.500 0.004 0.000 2.778 36 R HA 0.505 4.848 4.340 0.006 0.000 0.277 36 R C -0.145 176.078 176.300 -0.130 0.000 0.977 36 R CA -0.946 55.111 56.100 -0.072 0.000 0.950 36 R CB 1.786 32.012 30.300 -0.123 0.000 1.165 36 R HN 0.044 nan 8.270 nan 0.000 0.474 37 I N 2.064 122.561 120.570 -0.121 0.000 2.379 37 I HA 0.041 4.214 4.170 0.006 0.000 0.290 37 I C 1.343 177.317 176.117 -0.239 0.000 1.063 37 I CA 0.124 61.310 61.300 -0.190 0.000 1.351 37 I CB 1.462 39.395 38.000 -0.111 0.000 1.410 37 I HN 0.736 nan 8.210 nan 0.000 0.505 38 A N 5.690 128.266 122.820 -0.406 0.000 1.903 38 A HA 0.523 4.847 4.320 0.006 0.000 0.213 38 A C 1.002 178.382 177.584 -0.340 0.000 1.185 38 A CA 1.132 52.916 52.037 -0.421 0.000 0.628 38 A CB 0.097 18.651 19.000 -0.743 0.000 0.830 38 A HN 0.748 nan 8.150 nan 0.000 0.446 39 A N -2.110 120.462 122.820 -0.413 0.000 2.610 39 A HA 0.603 4.927 4.320 0.006 0.000 0.291 39 A C -1.470 176.006 177.584 -0.179 0.000 1.086 39 A CA -0.310 51.603 52.037 -0.206 0.000 0.677 39 A CB 0.976 19.938 19.000 -0.065 0.000 1.278 39 A HN 0.622 nan 8.150 nan 0.000 0.414 40 V N 0.411 120.267 119.914 -0.096 0.000 2.760 40 V HA 0.899 5.022 4.120 0.006 0.000 0.309 40 V C 0.598 176.669 176.094 -0.039 0.000 1.077 40 V CA 0.529 62.783 62.300 -0.077 0.000 0.910 40 V CB 1.199 32.973 31.823 -0.082 0.000 1.008 40 V HN 2.529 nan 8.190 nan 0.000 0.424 41 G N 3.277 112.062 108.800 -0.025 0.000 2.260 41 G HA2 0.092 4.056 3.960 0.006 0.000 0.250 41 G HA3 0.092 4.056 3.960 0.006 0.000 0.250 41 G C -1.487 173.415 174.900 0.003 0.000 1.340 41 G CA -0.236 44.858 45.100 -0.010 0.000 1.056 41 G HN 0.723 nan 8.290 nan 0.000 0.471 42 D N 1.168 121.573 120.400 0.008 0.000 2.352 42 D HA 0.415 5.059 4.640 0.006 0.000 0.245 42 D C 1.129 177.447 176.300 0.029 0.000 1.224 42 D CA -0.207 53.801 54.000 0.013 0.000 0.879 42 D CB 0.393 41.197 40.800 0.008 0.000 1.057 42 D HN 0.358 nan 8.370 nan 0.000 0.491 43 L N 3.133 124.382 121.223 0.044 0.000 2.872 43 L HA 0.039 4.383 4.340 0.006 0.000 0.245 43 L C 2.086 178.986 176.870 0.050 0.000 1.211 43 L CA -0.171 54.717 54.840 0.079 0.000 1.013 43 L CB -0.007 42.140 42.059 0.148 0.000 1.326 43 L HN 0.322 nan 8.230 nan 0.000 0.525 44 S N 0.322 116.037 115.700 0.025 0.000 2.400 44 S HA -0.189 4.285 4.470 0.006 0.000 0.232 44 S C 1.892 176.487 174.600 -0.009 0.000 1.025 44 S CA 1.026 59.231 58.200 0.009 0.000 0.993 44 S CB -0.152 63.051 63.200 0.005 0.000 0.808 44 S HN 0.408 nan 8.310 nan 0.000 0.478 45 A N 0.753 123.565 122.820 -0.013 0.000 2.238 45 A HA 0.450 4.774 4.320 0.006 0.000 0.208 45 A C 0.935 178.476 177.584 -0.073 0.000 1.177 45 A CA -0.147 51.870 52.037 -0.034 0.000 0.804 45 A CB -0.181 18.804 19.000 -0.024 0.000 0.823 45 A HN 0.399 nan 8.150 nan 0.000 0.482 46 S N 0.374 116.018 115.700 -0.092 0.000 2.457 46 S HA 0.378 4.852 4.470 0.006 0.000 0.289 46 S C 0.275 174.709 174.600 -0.277 0.000 1.163 46 S CA -0.384 57.669 58.200 -0.244 0.000 1.078 46 S CB 1.280 64.292 63.200 -0.314 0.000 0.987 46 S HN 0.423 nan 8.310 nan 0.000 0.482 47 S N 2.577 118.090 115.700 -0.312 0.000 2.562 47 S HA 0.576 5.050 4.470 0.006 0.000 0.281 47 S C -0.117 174.318 174.600 -0.275 0.000 1.333 47 S CA -0.304 57.760 58.200 -0.226 0.000 1.052 47 S CB 0.139 63.231 63.200 -0.181 0.000 0.884 47 S HN 0.929 nan 8.310 nan 0.000 0.506 48 A N 4.297 127.052 122.820 -0.109 0.000 2.574 48 A HA 0.564 4.888 4.320 0.006 0.000 0.297 48 A C 0.474 178.079 177.584 0.035 0.000 1.062 48 A CA -0.830 51.203 52.037 -0.006 0.000 0.686 48 A CB 1.077 20.133 19.000 0.092 0.000 1.285 48 A HN 0.885 nan 8.150 nan 0.000 0.403 49 R N -0.161 120.384 120.500 0.074 0.000 2.189 49 R HA 0.056 4.399 4.340 0.006 0.000 0.218 49 R C -0.070 176.281 176.300 0.086 0.000 1.074 49 R CA 0.976 57.119 56.100 0.072 0.000 0.991 49 R CB 0.038 30.389 30.300 0.084 0.000 0.883 49 R HN 0.637 nan 8.270 nan 0.000 0.457 50 R N -0.267 120.306 120.500 0.122 0.000 2.604 50 R HA 0.337 4.680 4.340 0.006 0.000 0.270 50 R C -1.055 175.327 176.300 0.137 0.000 1.052 50 R CA -0.764 55.408 56.100 0.120 0.000 0.902 50 R CB 2.216 32.596 30.300 0.133 0.000 1.233 50 R HN -0.116 nan 8.270 nan 0.000 0.455 51 R N 3.313 123.873 120.500 0.100 0.000 2.358 51 R HA 0.393 4.737 4.340 0.006 0.000 0.309 51 R C -0.864 175.486 176.300 0.084 0.000 1.026 51 R CA -0.408 55.748 56.100 0.094 0.000 0.909 51 R CB 0.728 31.066 30.300 0.063 0.000 1.153 51 R HN 0.572 nan 8.270 nan 0.000 0.515 52 I N 3.319 123.951 120.570 0.103 0.000 2.322 52 I HA 0.047 4.221 4.170 0.006 0.000 0.292 52 I C 0.147 176.297 176.117 0.055 0.000 1.060 52 I CA -0.391 60.962 61.300 0.089 0.000 1.309 52 I CB 0.935 39.007 38.000 0.120 0.000 1.415 52 I HN 0.482 nan 8.210 nan 0.000 0.492 53 D N 6.969 127.391 120.400 0.037 0.000 2.358 53 D HA 0.117 4.761 4.640 0.006 0.000 0.258 53 D C 0.486 176.766 176.300 -0.033 0.000 1.223 53 D CA -0.135 53.870 54.000 0.009 0.000 0.886 53 D CB 0.985 41.793 40.800 0.013 0.000 1.120 53 D HN 0.335 nan 8.370 nan 0.000 0.482 54 V N 1.917 121.797 119.914 -0.056 0.000 2.915 54 V HA 0.609 4.733 4.120 0.006 0.000 0.364 54 V C 0.600 176.641 176.094 -0.088 0.000 1.354 54 V CA -0.468 61.758 62.300 -0.124 0.000 1.213 54 V CB -0.332 31.416 31.823 -0.124 0.000 1.268 54 V HN 0.600 nan 8.190 nan 0.000 0.557 55 A N 0.746 123.535 122.820 -0.053 0.000 2.540 55 A HA 0.517 4.841 4.320 0.006 0.000 0.239 55 A C 1.714 179.275 177.584 -0.038 0.000 1.061 55 A CA 1.028 53.044 52.037 -0.036 0.000 0.758 55 A CB -0.442 18.548 19.000 -0.017 0.000 0.991 55 A HN 2.158 nan 8.150 nan 0.000 0.502 56 G N 1.338 110.118 108.800 -0.033 0.000 2.199 56 G HA2 -0.207 3.757 3.960 0.006 0.000 0.254 56 G HA3 -0.207 3.757 3.960 0.006 0.000 0.254 56 G C 0.349 175.224 174.900 -0.042 0.000 0.982 56 G CA 0.746 45.832 45.100 -0.024 0.000 0.632 56 G HN 0.777 nan 8.290 nan 0.000 0.529 57 K N -0.166 120.187 120.400 -0.079 0.000 2.211 57 K HA 0.786 5.110 4.320 0.006 0.000 0.237 57 K C -0.066 176.418 176.600 -0.193 0.000 1.002 57 K CA -0.783 55.427 56.287 -0.128 0.000 0.885 57 K CB 2.085 34.497 32.500 -0.146 0.000 1.136 57 K HN 0.143 nan 8.250 nan 0.000 0.448 58 V N 1.201 120.895 119.914 -0.367 0.000 2.513 58 V HA 0.313 4.437 4.120 0.006 0.000 0.299 58 V C -0.520 175.363 176.094 -0.352 0.000 1.035 58 V CA -0.934 61.099 62.300 -0.445 0.000 0.889 58 V CB 2.015 33.317 31.823 -0.868 0.000 0.988 58 V HN 0.370 nan 8.190 nan 0.000 0.440 59 V N 4.567 124.383 119.914 -0.163 0.000 2.357 59 V HA 0.671 4.795 4.120 0.006 0.000 0.284 59 V C 0.150 176.254 176.094 0.017 0.000 1.018 59 V CA -0.134 62.138 62.300 -0.047 0.000 0.841 59 V CB 1.546 33.354 31.823 -0.025 0.000 0.991 59 V HN 1.033 nan 8.190 nan 0.000 0.437 60 S N 5.888 121.660 115.700 0.120 0.000 2.704 60 S HA 0.827 5.301 4.470 0.006 0.000 0.296 60 S C -3.156 171.539 174.600 0.159 0.000 1.138 60 S CA -1.965 56.356 58.200 0.202 0.000 0.875 60 S CB 2.577 66.047 63.200 0.450 0.000 1.151 60 S HN 0.395 nan 8.310 nan 0.000 0.500 61 P HA 0.317 nan 4.420 nan 0.000 0.272 61 P C 0.179 177.499 177.300 0.033 0.000 1.230 61 P CA 0.020 63.191 63.100 0.119 0.000 0.788 61 P CB 0.030 31.823 31.700 0.155 0.000 0.949 62 G N 0.969 109.744 108.800 -0.041 0.000 2.544 62 G HA2 0.259 4.223 3.960 0.006 0.000 0.242 62 G HA3 0.259 4.223 3.960 0.006 0.000 0.242 62 G C -0.684 174.126 174.900 -0.149 0.000 1.247 62 G CA -0.261 44.695 45.100 -0.239 0.000 0.840 62 G HN 0.216 nan 8.290 nan 0.000 0.578 63 F N 0.058 119.928 119.950 -0.135 0.000 2.429 63 F HA 0.382 4.913 4.527 0.008 0.000 0.348 63 F C 0.881 176.482 175.800 -0.331 0.000 1.109 63 F CA -1.238 56.604 58.000 -0.263 0.000 1.232 63 F CB 0.814 39.513 39.000 -0.502 0.000 1.157 63 F HN 0.123 nan 8.300 nan 0.000 0.564 64 I N 2.833 123.374 120.570 -0.048 0.000 2.328 64 I HA 0.130 4.303 4.170 0.006 0.000 0.287 64 I C -0.225 175.827 176.117 -0.109 0.000 1.012 64 I CA -0.681 60.560 61.300 -0.098 0.000 1.195 64 I CB 1.073 39.060 38.000 -0.023 0.000 1.350 64 I HN 0.393 nan 8.210 nan 0.000 0.464 65 D N 4.847 125.142 120.400 -0.174 0.000 2.374 65 D HA 0.026 4.670 4.640 0.006 0.000 0.240 65 D C 1.325 177.621 176.300 -0.008 0.000 1.229 65 D CA 0.024 54.052 54.000 0.045 0.000 0.895 65 D CB 1.062 41.867 40.800 0.007 0.000 1.046 65 D HN 0.592 nan 8.370 nan 0.000 0.498 66 S N 2.944 118.686 115.700 0.069 0.000 2.507 66 S HA -0.160 4.314 4.470 0.006 0.000 0.235 66 S C 0.738 175.322 174.600 -0.027 0.000 0.988 66 S CA 0.491 58.656 58.200 -0.059 0.000 0.944 66 S CB -0.179 63.165 63.200 0.240 0.000 0.762 66 S HN 0.618 nan 8.310 nan 0.000 0.526 67 H N 1.065 120.109 119.070 -0.044 0.000 2.974 67 H HA 0.453 5.013 4.556 0.007 0.000 0.285 67 H C -0.332 174.911 175.328 -0.141 0.000 1.227 67 H CA 0.074 56.075 56.048 -0.079 0.000 1.569 67 H CB 0.837 30.609 29.762 0.017 0.000 1.648 67 H HN 0.341 nan 8.280 nan 0.000 0.521 68 T N 0.225 114.528 114.554 -0.419 0.000 2.926 68 T HA 0.328 4.682 4.350 0.006 0.000 0.289 68 T C -0.219 174.112 174.700 -0.615 0.000 1.054 68 T CA -0.835 61.054 62.100 -0.352 0.000 1.015 68 T CB 1.717 70.466 68.868 -0.198 0.000 1.167 68 T HN 0.608 nan 8.240 nan 0.000 0.526 69 H N 0.549 119.576 119.070 -0.072 0.000 2.674 69 H HA 0.292 4.851 4.556 0.006 0.000 0.235 69 H C -0.451 174.864 175.328 -0.022 0.000 1.330 69 H CA -0.433 55.596 56.048 -0.032 0.000 1.052 69 H CB 0.267 30.042 29.762 0.022 0.000 1.954 69 H HN 0.622 nan 8.280 nan 0.000 0.566 70 D N 0.252 120.654 120.400 0.003 0.000 2.328 70 D HA -0.031 4.613 4.640 0.006 0.000 0.221 70 D C 1.011 177.371 176.300 0.100 0.000 1.072 70 D CA 0.088 54.110 54.000 0.037 0.000 0.850 70 D CB 0.343 41.130 40.800 -0.023 0.000 0.922 70 D HN 0.352 nan 8.370 nan 0.000 0.516 71 D N 0.834 121.273 120.400 0.065 0.000 2.204 71 D HA -0.234 4.409 4.640 0.006 0.000 0.189 71 D C 1.731 178.077 176.300 0.076 0.000 1.006 71 D CA 1.286 55.293 54.000 0.011 0.000 0.855 71 D CB -0.168 40.540 40.800 -0.154 0.000 0.946 71 D HN 0.122 nan 8.370 nan 0.000 0.448 72 N N -1.493 117.271 118.700 0.106 0.000 2.333 72 N HA -0.107 4.637 4.740 0.006 0.000 0.178 72 N C 1.509 177.174 175.510 0.258 0.000 1.018 72 N CA 0.411 53.545 53.050 0.140 0.000 0.882 72 N CB -0.268 38.239 38.487 0.032 0.000 0.984 72 N HN 0.152 nan 8.380 nan 0.000 0.434 73 Y N 1.070 121.488 120.300 0.197 0.000 2.207 73 Y HA -0.069 4.485 4.550 0.007 0.000 0.287 73 Y C 1.826 177.761 175.900 0.057 0.000 1.156 73 Y CA 1.352 59.522 58.100 0.117 0.000 1.182 73 Y CB -0.215 38.183 38.460 -0.104 0.000 0.979 73 Y HN 0.086 nan 8.280 nan 0.000 0.521 74 L N -0.919 120.368 121.223 0.107 0.000 2.191 74 L HA -0.259 4.084 4.340 0.006 0.000 0.212 74 L C 2.116 178.942 176.870 -0.073 0.000 1.103 74 L CA 1.081 55.920 54.840 -0.002 0.000 0.769 74 L CB -0.474 41.584 42.059 -0.002 0.000 0.908 74 L HN 0.272 nan 8.230 nan 0.000 0.438 75 L N -1.170 120.022 121.223 -0.051 0.000 2.168 75 L HA -0.046 4.298 4.340 0.006 0.000 0.203 75 L C 2.469 179.249 176.870 -0.150 0.000 1.078 75 L CA 0.639 55.430 54.840 -0.082 0.000 0.780 75 L CB -0.355 41.703 42.059 -0.001 0.000 0.939 75 L HN 0.110 nan 8.230 nan 0.000 0.451 76 K N -0.892 119.387 120.400 -0.203 0.000 2.243 76 K HA 0.082 4.406 4.320 0.006 0.000 0.201 76 K C 0.237 176.327 176.600 -0.851 0.000 1.051 76 K CA 0.828 56.859 56.287 -0.427 0.000 0.970 76 K CB 0.167 32.472 32.500 -0.324 0.000 0.755 76 K HN 0.344 nan 8.250 nan 0.000 0.465 77 H N 0.433 119.236 119.070 -0.444 0.000 2.488 77 H HA 0.276 4.835 4.556 0.006 0.000 0.237 77 H C 0.495 175.615 175.328 -0.346 0.000 1.395 77 H CA -0.181 55.579 56.048 -0.481 0.000 1.491 77 H CB 0.619 29.795 29.762 -0.976 0.000 1.567 77 H HN -0.009 nan 8.280 nan 0.000 0.508 78 R N 0.565 120.973 120.500 -0.152 0.000 2.200 78 R HA -0.126 4.218 4.340 0.006 0.000 0.234 78 R C 1.477 177.665 176.300 -0.187 0.000 1.127 78 R CA 1.600 57.651 56.100 -0.082 0.000 0.989 78 R CB 0.120 30.428 30.300 0.013 0.000 0.869 78 R HN 0.582 nan 8.270 nan 0.000 0.459 79 D N 0.435 120.624 120.400 -0.352 0.000 2.219 79 D HA -0.182 4.462 4.640 0.006 0.000 0.205 79 D C 0.715 176.651 176.300 -0.608 0.000 0.970 79 D CA 0.484 53.896 54.000 -0.980 0.000 0.851 79 D CB -0.029 40.378 40.800 -0.654 0.000 0.943 79 D HN 0.029 nan 8.370 nan 0.000 0.488 80 M N 0.876 120.319 119.600 -0.261 0.000 2.393 80 M HA -0.178 4.305 4.480 0.006 0.000 0.201 80 M C 0.756 176.917 176.300 -0.232 0.000 0.403 80 M CA 0.614 55.832 55.300 -0.137 0.000 0.471 80 M CB -2.847 29.656 32.600 -0.161 0.000 1.669 80 M HN 0.081 nan 8.290 nan 0.000 0.864 81 T N -0.002 114.438 114.554 -0.190 0.000 2.699 81 T HA -0.139 4.215 4.350 0.006 0.000 0.268 81 T C -0.728 173.616 174.700 -0.594 0.000 1.036 81 T CA 2.021 63.993 62.100 -0.212 0.000 1.147 81 T CB -0.652 68.278 68.868 0.103 0.000 0.862 81 T HN 0.389 nan 8.240 nan 0.000 0.446 82 P HA -0.079 nan 4.420 nan 0.000 0.217 82 P C 1.503 178.255 177.300 -0.914 0.000 1.148 82 P CA 1.193 63.231 63.100 -1.769 0.000 0.828 82 P CB 0.065 30.839 31.700 -1.543 0.000 0.783 83 K N -0.570 119.483 120.400 -0.578 0.000 2.121 83 K HA 0.130 4.454 4.320 0.006 0.000 0.203 83 K C 2.149 178.522 176.600 -0.379 0.000 1.041 83 K CA 0.863 56.919 56.287 -0.385 0.000 0.969 83 K CB -1.159 31.164 32.500 -0.295 0.000 0.799 83 K HN 0.268 nan 8.250 nan 0.000 0.456 84 I N 0.581 120.911 120.570 -0.400 0.000 2.454 84 I HA -0.176 3.998 4.170 0.006 0.000 0.254 84 I C 1.937 177.599 176.117 -0.757 0.000 1.156 84 I CA 1.635 62.685 61.300 -0.416 0.000 1.433 84 I CB -0.628 37.223 38.000 -0.248 0.000 1.082 84 I HN -0.046 nan 8.210 nan 0.000 0.432 85 S N 0.272 115.359 115.700 -1.022 0.000 2.515 85 S HA -0.065 4.409 4.470 0.006 0.000 0.231 85 S C 1.722 175.979 174.600 -0.572 0.000 0.987 85 S CA 0.526 57.870 58.200 -1.426 0.000 0.936 85 S CB -0.402 62.189 63.200 -1.015 0.000 0.766 85 S HN 0.698 nan 8.310 nan 0.000 0.528 86 Q N 0.155 119.755 119.800 -0.332 0.000 2.282 86 Q HA 0.349 4.693 4.340 0.006 0.000 0.206 86 Q C 1.155 177.186 176.000 0.052 0.000 0.878 86 Q CA 0.261 56.042 55.803 -0.037 0.000 0.944 86 Q CB 0.624 29.423 28.738 0.102 0.000 1.100 86 Q HN 0.746 nan 8.270 nan 0.000 0.509 87 G N 0.568 109.266 108.800 -0.171 0.000 2.176 87 G HA2 -0.220 3.743 3.960 0.006 0.000 0.232 87 G HA3 -0.220 3.743 3.960 0.006 0.000 0.232 87 G C 0.114 174.739 174.900 -0.459 0.000 0.986 87 G CA -0.154 44.748 45.100 -0.330 0.000 0.643 87 G HN 0.189 nan 8.290 nan 0.000 0.522 88 V N 1.981 121.710 119.914 -0.308 0.000 2.508 88 V HA 0.476 4.600 4.120 0.006 0.000 0.281 88 V C 1.637 177.567 176.094 -0.274 0.000 1.041 88 V CA 1.210 63.300 62.300 -0.351 0.000 1.016 88 V CB 1.252 32.833 31.823 -0.405 0.000 0.984 88 V HN 0.685 nan 8.190 nan 0.000 0.478 89 T N -0.178 114.239 114.554 -0.229 0.000 2.985 89 T HA 0.186 4.540 4.350 0.006 0.000 0.254 89 T C 0.559 175.180 174.700 -0.132 0.000 1.021 89 T CA 0.007 62.015 62.100 -0.153 0.000 0.957 89 T CB 0.403 69.204 68.868 -0.110 0.000 1.047 89 T HN 0.567 nan 8.240 nan 0.000 0.511 90 T N 2.270 116.734 114.554 -0.151 0.000 2.952 90 T HA 0.644 4.997 4.350 0.006 0.000 0.305 90 T C -1.067 173.534 174.700 -0.166 0.000 1.064 90 T CA -0.703 61.314 62.100 -0.139 0.000 1.008 90 T CB 2.302 71.103 68.868 -0.113 0.000 1.078 90 T HN 0.402 nan 8.240 nan 0.000 0.459 91 V N 0.280 120.100 119.914 -0.158 0.000 2.680 91 V HA 0.884 5.008 4.120 0.006 0.000 0.309 91 V C -0.541 175.434 176.094 -0.199 0.000 1.052 91 V CA -0.909 61.288 62.300 -0.171 0.000 0.908 91 V CB 1.728 33.465 31.823 -0.143 0.000 1.001 91 V HN 0.627 nan 8.190 nan 0.000 0.431 92 V N 4.621 124.373 119.914 -0.270 0.000 2.350 92 V HA 0.595 4.719 4.120 0.006 0.000 0.276 92 V C 0.812 176.742 176.094 -0.274 0.000 1.028 92 V CA 0.520 62.612 62.300 -0.345 0.000 0.860 92 V CB 1.271 32.703 31.823 -0.652 0.000 0.990 92 V HN 1.248 nan 8.190 nan 0.000 0.453 93 T N 0.859 115.306 114.554 -0.179 0.000 2.922 93 T HA 0.693 5.047 4.350 0.006 0.000 0.281 93 T C 0.759 175.395 174.700 -0.106 0.000 1.005 93 T CA -0.072 61.942 62.100 -0.143 0.000 0.982 93 T CB 1.618 70.457 68.868 -0.048 0.000 1.158 93 T HN 1.787 nan 8.240 nan 0.000 0.566 94 G N 1.148 109.908 108.800 -0.067 0.000 2.298 94 G HA2 -0.208 3.755 3.960 0.006 0.000 0.287 94 G HA3 -0.208 3.755 3.960 0.006 0.000 0.287 94 G C -0.341 174.553 174.900 -0.011 0.000 1.075 94 G CA -0.027 45.075 45.100 0.003 0.000 0.960 94 G HN 1.011 nan 8.290 nan 0.000 0.502 95 N N -1.479 117.181 118.700 -0.068 0.000 2.458 95 N HA 0.550 5.294 4.740 0.006 0.000 0.271 95 N C 1.285 176.933 175.510 0.231 0.000 1.210 95 N CA 0.087 53.100 53.050 -0.062 0.000 0.978 95 N CB 0.812 38.950 38.487 -0.582 0.000 1.206 95 N HN 0.640 nan 8.380 nan 0.000 0.536 96 C N 0.643 120.112 119.300 0.282 0.000 4.274 96 C HA -0.111 4.353 4.460 0.006 0.000 0.297 96 C C 1.452 176.621 174.990 0.298 0.000 1.446 96 C CA 0.607 59.873 59.018 0.413 0.000 2.016 96 C CB -2.702 25.452 27.740 0.689 0.000 1.273 96 C HN 1.192 nan 8.230 nan 0.000 0.782 97 G N -0.795 108.124 108.800 0.199 0.000 2.162 97 G HA2 -0.290 3.674 3.960 0.006 0.000 0.260 97 G HA3 -0.290 3.674 3.960 0.006 0.000 0.260 97 G C -0.166 174.814 174.900 0.133 0.000 0.976 97 G CA 0.362 45.567 45.100 0.176 0.000 0.655 97 G HN 0.887 nan 8.290 nan 0.000 0.533 98 I N 2.475 123.133 120.570 0.145 0.000 2.371 98 I HA 0.482 4.656 4.170 0.006 0.000 0.282 98 I C 0.475 176.676 176.117 0.140 0.000 1.031 98 I CA -0.224 61.151 61.300 0.126 0.000 1.180 98 I CB 1.418 39.477 38.000 0.099 0.000 1.336 98 I HN 0.277 nan 8.210 nan 0.000 0.467 99 S N 4.871 120.648 115.700 0.129 0.000 2.600 99 S HA 0.469 4.943 4.470 0.006 0.000 0.300 99 S C 0.326 174.956 174.600 0.050 0.000 1.087 99 S CA -0.848 57.397 58.200 0.075 0.000 0.965 99 S CB 2.426 65.697 63.200 0.119 0.000 1.089 99 S HN 0.501 nan 8.310 nan 0.000 0.496 100 L N 1.211 122.301 121.223 -0.221 0.000 2.109 100 L HA 0.391 4.735 4.340 0.006 0.000 0.207 100 L C 0.824 177.583 176.870 -0.185 0.000 1.086 100 L CA 1.782 56.362 54.840 -0.434 0.000 0.760 100 L CB -0.837 40.807 42.059 -0.690 0.000 0.910 100 L HN 0.969 nan 8.230 nan 0.000 0.437 101 A N -0.399 122.299 122.820 -0.203 0.000 2.356 101 A HA 0.784 5.108 4.320 0.006 0.000 0.323 101 A C -2.659 175.108 177.584 0.303 0.000 1.119 101 A CA -1.434 50.626 52.037 0.038 0.000 0.790 101 A CB 0.943 19.825 19.000 -0.196 0.000 1.273 101 A HN 0.069 nan 8.150 nan 0.000 0.452 102 P HA 0.592 nan 4.420 nan 0.000 0.301 102 P C -1.389 176.039 177.300 0.214 0.000 1.338 102 P CA -0.301 62.950 63.100 0.251 0.000 0.834 102 P CB 1.390 33.235 31.700 0.242 0.000 0.967 103 L N 2.727 124.093 121.223 0.238 0.000 2.982 103 L HA 0.586 4.930 4.340 0.006 0.000 0.262 103 L C -1.901 175.123 176.870 0.255 0.000 0.932 103 L CA -0.404 54.574 54.840 0.230 0.000 1.058 103 L CB 1.193 43.401 42.059 0.249 0.000 1.665 103 L HN 0.457 nan 8.230 nan 0.000 0.499 104 A N 3.746 126.668 122.820 0.169 0.000 2.267 104 A HA 0.798 5.122 4.320 0.006 0.000 0.315 104 A C -1.192 176.471 177.584 0.132 0.000 1.297 104 A CA -0.236 51.878 52.037 0.127 0.000 0.865 104 A CB 0.309 19.337 19.000 0.048 0.000 1.165 104 A HN 0.822 nan 8.150 nan 0.000 0.513 105 H N 1.839 120.937 119.070 0.046 0.000 3.129 105 H HA 0.496 5.056 4.556 0.007 0.000 0.342 105 H C 0.110 175.425 175.328 -0.022 0.000 1.092 105 H CA 0.092 56.122 56.048 -0.029 0.000 1.310 105 H CB 2.021 31.711 29.762 -0.121 0.000 1.932 105 H HN 0.561 nan 8.280 nan 0.000 0.507 106 A N 3.362 126.315 122.820 0.221 0.000 2.178 106 A HA 0.085 4.409 4.320 0.006 0.000 0.211 106 A C 0.226 177.916 177.584 0.176 0.000 1.157 106 A CA 0.354 52.486 52.037 0.158 0.000 0.780 106 A CB 0.151 19.177 19.000 0.044 0.000 0.828 106 A HN 0.596 nan 8.150 nan 0.000 0.476 107 N N 0.680 119.579 118.700 0.332 0.000 2.700 107 N HA 0.186 4.930 4.740 0.006 0.000 0.242 107 N C -3.288 172.000 175.510 -0.371 0.000 1.541 107 N CA -0.675 52.394 53.050 0.032 0.000 0.764 107 N CB 1.156 39.696 38.487 0.090 0.000 1.319 107 N HN 0.222 nan 8.380 nan 0.000 0.518 108 P HA 0.141 nan 4.420 nan 0.000 0.269 108 P C -2.507 174.471 177.300 -0.536 0.000 1.209 108 P CA -0.545 61.961 63.100 -0.991 0.000 0.776 108 P CB 0.182 31.171 31.700 -1.184 0.000 0.876 109 P HA 0.096 nan 4.420 nan 0.000 0.271 109 P C -0.167 177.025 177.300 -0.181 0.000 1.216 109 P CA -0.086 62.877 63.100 -0.228 0.000 0.776 109 P CB 0.459 32.054 31.700 -0.175 0.000 0.881 110 A N 5.421 128.181 122.820 -0.101 0.000 2.520 110 A HA 0.208 4.531 4.320 0.006 0.000 0.235 110 A C -1.225 176.286 177.584 -0.123 0.000 1.065 110 A CA -0.818 51.177 52.037 -0.070 0.000 0.764 110 A CB -0.850 18.148 19.000 -0.003 0.000 1.002 110 A HN 0.485 nan 8.150 nan 0.000 0.502 111 P HA 0.067 nan 4.420 nan 0.000 0.255 111 P C 0.783 178.000 177.300 -0.139 0.000 1.301 111 P CA -0.007 62.958 63.100 -0.224 0.000 0.817 111 P CB 0.165 31.535 31.700 -0.550 0.000 1.259 112 L N 1.728 122.868 121.223 -0.138 0.000 2.187 112 L HA -0.173 4.171 4.340 0.006 0.000 0.213 112 L C 1.989 178.869 176.870 0.016 0.000 1.100 112 L CA 1.974 56.765 54.840 -0.082 0.000 0.765 112 L CB -1.293 40.584 42.059 -0.303 0.000 0.904 112 L HN 0.090 nan 8.230 nan 0.000 0.437 113 D N -0.978 119.402 120.400 -0.035 0.000 2.351 113 D HA -0.217 4.427 4.640 0.006 0.000 0.216 113 D C 1.994 178.302 176.300 0.014 0.000 0.968 113 D CA 0.809 54.816 54.000 0.012 0.000 0.899 113 D CB -0.556 40.272 40.800 0.046 0.000 0.907 113 D HN 0.342 nan 8.370 nan 0.000 0.514 114 L N -0.507 120.754 121.223 0.063 0.000 2.362 114 L HA 0.006 4.349 4.340 0.006 0.000 0.219 114 L C 2.114 179.020 176.870 0.059 0.000 1.134 114 L CA 0.545 55.426 54.840 0.067 0.000 0.807 114 L CB -0.167 41.928 42.059 0.059 0.000 0.927 114 L HN 0.065 nan 8.230 nan 0.000 0.447 115 L N -1.818 119.431 121.223 0.044 0.000 2.616 115 L HA 0.159 4.502 4.340 0.006 0.000 0.229 115 L C 0.388 177.025 176.870 -0.388 0.000 1.110 115 L CA -0.172 54.630 54.840 -0.063 0.000 0.884 115 L CB 0.040 42.094 42.059 -0.008 0.000 1.115 115 L HN 0.058 nan 8.230 nan 0.000 0.481 116 D N 0.881 121.167 120.400 -0.191 0.000 2.256 116 D HA 0.096 4.740 4.640 0.006 0.000 0.250 116 D C 0.284 176.405 176.300 -0.298 0.000 1.093 116 D CA 0.203 54.110 54.000 -0.154 0.000 0.882 116 D CB 1.624 42.492 40.800 0.113 0.000 1.185 116 D HN 0.058 nan 8.370 nan 0.000 0.437 117 E N 0.698 120.764 120.200 -0.223 0.000 2.583 117 E HA 0.337 4.690 4.350 0.006 0.000 0.213 117 E C -0.170 176.385 176.600 -0.074 0.000 0.989 117 E CA -0.396 55.919 56.400 -0.143 0.000 0.991 117 E CB 0.652 30.309 29.700 -0.072 0.000 1.040 117 E HN 0.649 nan 8.360 nan 0.000 0.481 118 G N -0.237 108.530 108.800 -0.054 0.000 3.199 118 G HA2 0.091 4.055 3.960 0.006 0.000 0.680 118 G HA3 0.091 4.055 3.960 0.006 0.000 0.680 118 G C 0.497 175.393 174.900 -0.007 0.000 1.197 118 G CA -0.385 44.701 45.100 -0.023 0.000 1.143 118 G HN 0.401 nan 8.290 nan 0.000 0.492 119 G N 0.623 109.439 108.800 0.028 0.000 2.179 119 G HA2 -0.152 3.812 3.960 0.006 0.000 0.257 119 G HA3 -0.152 3.812 3.960 0.006 0.000 0.257 119 G C 1.603 176.514 174.900 0.020 0.000 1.010 119 G CA 1.201 46.320 45.100 0.032 0.000 0.736 119 G HN 1.828 nan 8.290 nan 0.000 0.513 120 S N -0.707 115.010 115.700 0.029 0.000 2.402 120 S HA 0.098 4.572 4.470 0.006 0.000 0.229 120 S C 0.954 175.501 174.600 -0.089 0.000 1.021 120 S CA 0.475 58.638 58.200 -0.063 0.000 0.974 120 S CB -0.105 62.998 63.200 -0.161 0.000 0.800 120 S HN 0.401 nan 8.310 nan 0.000 0.484 121 F N 3.035 122.973 119.950 -0.019 0.000 2.600 121 F HA 0.184 4.714 4.527 0.006 0.000 0.345 121 F C 1.557 177.331 175.800 -0.044 0.000 1.271 121 F CA -0.294 57.715 58.000 0.015 0.000 1.138 121 F CB -0.114 38.901 39.000 0.026 0.000 1.449 121 F HN 0.156 nan 8.300 nan 0.000 0.645 122 R N 0.310 120.753 120.500 -0.095 0.000 2.531 122 R HA 0.217 4.561 4.340 0.006 0.000 0.316 122 R C -0.786 175.287 176.300 -0.377 0.000 0.955 122 R CA -0.220 55.718 56.100 -0.270 0.000 1.120 122 R CB -0.094 29.946 30.300 -0.433 0.000 1.361 122 R HN 0.195 nan 8.270 nan 0.000 0.534 123 F N 1.687 121.653 119.950 0.027 0.000 2.375 123 F HA 0.452 4.983 4.527 0.007 0.000 0.362 123 F C 1.450 177.283 175.800 0.055 0.000 1.129 123 F CA -0.615 57.401 58.000 0.027 0.000 1.154 123 F CB 1.626 40.633 39.000 0.010 0.000 1.205 123 F HN 0.070 nan 8.300 nan 0.000 0.513 124 A N 4.514 127.428 122.820 0.157 0.000 1.930 124 A HA -0.002 4.321 4.320 0.006 0.000 0.217 124 A C 1.171 178.850 177.584 0.157 0.000 1.175 124 A CA 0.923 53.037 52.037 0.129 0.000 0.627 124 A CB -0.093 18.953 19.000 0.077 0.000 0.815 124 A HN 0.662 nan 8.150 nan 0.000 0.443 125 R N -2.650 117.956 120.500 0.177 0.000 2.711 125 R HA 0.479 4.823 4.340 0.006 0.000 0.284 125 R C 0.182 176.614 176.300 0.220 0.000 0.968 125 R CA -0.713 55.496 56.100 0.183 0.000 0.924 125 R CB 0.867 31.252 30.300 0.141 0.000 1.162 125 R HN 0.223 nan 8.270 nan 0.000 0.465 126 F N 1.807 121.813 119.950 0.094 0.000 2.161 126 F HA -0.253 4.278 4.527 0.006 0.000 0.300 126 F C 2.306 178.160 175.800 0.090 0.000 1.089 126 F CA 2.313 60.365 58.000 0.087 0.000 1.282 126 F CB 0.053 39.083 39.000 0.050 0.000 1.010 126 F HN 0.629 nan 8.300 nan 0.000 0.485 127 S N -0.699 115.109 115.700 0.180 0.000 2.399 127 S HA -0.203 4.271 4.470 0.006 0.000 0.231 127 S C 1.715 176.314 174.600 -0.002 0.000 1.022 127 S CA 1.393 59.639 58.200 0.077 0.000 0.983 127 S CB -0.678 62.578 63.200 0.094 0.000 0.803 127 S HN 0.414 nan 8.310 nan 0.000 0.480 128 D N 0.498 120.934 120.400 0.060 0.000 2.144 128 D HA -0.070 4.574 4.640 0.006 0.000 0.200 128 D C 1.595 177.888 176.300 -0.012 0.000 0.978 128 D CA 1.239 55.307 54.000 0.115 0.000 0.833 128 D CB -0.509 40.462 40.800 0.285 0.000 0.961 128 D HN 0.597 nan 8.370 nan 0.000 0.470 129 Y N 1.820 121.877 120.300 -0.406 0.000 2.114 129 Y HA -0.146 4.408 4.550 0.006 0.000 0.284 129 Y C 2.221 177.735 175.900 -0.645 0.000 1.143 129 Y CA 1.280 58.773 58.100 -1.012 0.000 1.135 129 Y CB -0.601 37.171 38.460 -1.147 0.000 0.980 129 Y HN -0.130 nan 8.280 nan 0.000 0.499 130 L N 0.126 120.938 121.223 -0.684 0.000 2.042 130 L HA -0.257 4.086 4.340 0.006 0.000 0.210 130 L C 2.387 179.019 176.870 -0.398 0.000 1.076 130 L CA 2.026 56.532 54.840 -0.558 0.000 0.749 130 L CB -0.699 41.210 42.059 -0.250 0.000 0.893 130 L HN 0.297 nan 8.230 nan 0.000 0.432 131 E N 0.093 120.139 120.200 -0.257 0.000 2.110 131 E HA -0.222 4.132 4.350 0.006 0.000 0.193 131 E C 2.297 178.786 176.600 -0.185 0.000 0.988 131 E CA 1.209 57.513 56.400 -0.160 0.000 0.804 131 E CB -0.186 29.470 29.700 -0.074 0.000 0.745 131 E HN 0.509 nan 8.360 nan 0.000 0.458 132 A N 0.861 123.540 122.820 -0.236 0.000 1.933 132 A HA -0.147 4.177 4.320 0.006 0.000 0.218 132 A C 2.139 179.559 177.584 -0.273 0.000 1.175 132 A CA 0.956 52.881 52.037 -0.188 0.000 0.628 132 A CB -0.500 18.443 19.000 -0.095 0.000 0.814 132 A HN 0.142 nan 8.150 nan 0.000 0.444 133 L N -1.097 119.861 121.223 -0.443 0.000 2.056 133 L HA -0.177 4.167 4.340 0.006 0.000 0.207 133 L C 2.888 179.615 176.870 -0.239 0.000 1.078 133 L CA 1.393 56.003 54.840 -0.384 0.000 0.749 133 L CB -0.476 41.277 42.059 -0.511 0.000 0.901 133 L HN 0.376 nan 8.230 nan 0.000 0.433 134 R N -0.030 120.342 120.500 -0.214 0.000 2.081 134 R HA -0.110 4.234 4.340 0.006 0.000 0.235 134 R C 2.366 178.600 176.300 -0.109 0.000 1.131 134 R CA 1.274 57.291 56.100 -0.139 0.000 0.960 134 R CB -0.485 29.746 30.300 -0.116 0.000 0.856 134 R HN 0.322 nan 8.270 nan 0.000 0.436 135 A N 0.943 123.696 122.820 -0.113 0.000 2.019 135 A HA 0.056 4.380 4.320 0.006 0.000 0.219 135 A C 1.299 178.825 177.584 -0.098 0.000 1.164 135 A CA 1.487 53.471 52.037 -0.088 0.000 0.644 135 A CB 0.082 19.036 19.000 -0.076 0.000 0.805 135 A HN 0.326 nan 8.150 nan 0.000 0.449 136 A N 0.047 122.793 122.820 -0.124 0.000 3.370 136 A HA 0.552 4.876 4.320 0.006 0.000 0.295 136 A C -2.856 174.635 177.584 -0.155 0.000 1.030 136 A CA -1.262 50.684 52.037 -0.152 0.000 0.883 136 A CB 0.286 19.195 19.000 -0.152 0.000 1.191 136 A HN 0.198 nan 8.150 nan 0.000 0.507 137 P HA 0.158 nan 4.420 nan 0.000 0.265 137 P C -2.731 174.570 177.300 0.002 0.000 1.187 137 P CA -0.292 62.772 63.100 -0.060 0.000 0.766 137 P CB 0.572 32.264 31.700 -0.012 0.000 0.820 138 P HA 0.155 nan 4.420 nan 0.000 0.281 138 P C 0.299 177.626 177.300 0.046 0.000 1.281 138 P CA -0.406 62.706 63.100 0.019 0.000 0.811 138 P CB 0.757 32.423 31.700 -0.057 0.000 1.154 139 A N 0.317 123.119 122.820 -0.030 0.000 2.066 139 A HA 0.097 4.421 4.320 0.006 0.000 0.218 139 A C 1.203 178.763 177.584 -0.041 0.000 1.157 139 A CA 1.360 53.374 52.037 -0.038 0.000 0.670 139 A CB -1.072 17.810 19.000 -0.197 0.000 0.804 139 A HN 0.491 nan 8.150 nan 0.000 0.453 140 V N -3.291 116.578 119.914 -0.074 0.000 3.103 140 V HA 0.493 4.616 4.120 0.006 0.000 0.318 140 V C -0.578 175.465 176.094 -0.084 0.000 1.114 140 V CA -1.662 60.586 62.300 -0.086 0.000 1.020 140 V CB 1.157 32.908 31.823 -0.120 0.000 1.085 140 V HN 0.236 nan 8.190 nan 0.000 0.446 141 N N 1.066 119.708 118.700 -0.096 0.000 2.513 141 N HA 0.634 5.378 4.740 0.006 0.000 0.274 141 N C -0.338 175.108 175.510 -0.107 0.000 1.189 141 N CA 0.229 53.215 53.050 -0.106 0.000 0.975 141 N CB 1.667 40.081 38.487 -0.122 0.000 1.157 141 N HN 1.178 nan 8.380 nan 0.000 0.465 142 A N 0.203 122.961 122.820 -0.102 0.000 2.343 142 A HA 0.706 5.030 4.320 0.006 0.000 0.308 142 A C -0.862 176.678 177.584 -0.074 0.000 1.092 142 A CA -0.759 51.224 52.037 -0.090 0.000 0.751 142 A CB 1.063 20.015 19.000 -0.081 0.000 1.203 142 A HN 0.634 nan 8.150 nan 0.000 0.452 143 A N 1.832 124.604 122.820 -0.081 0.000 2.328 143 A HA 0.566 4.890 4.320 0.006 0.000 0.318 143 A C -0.308 177.256 177.584 -0.033 0.000 1.347 143 A CA -0.335 51.666 52.037 -0.060 0.000 0.842 143 A CB -0.338 18.595 19.000 -0.111 0.000 1.148 143 A HN 0.944 nan 8.150 nan 0.000 0.499 144 C N 2.944 122.280 119.300 0.059 0.000 2.350 144 C HA 0.716 5.180 4.460 0.006 0.000 0.348 144 C C 0.518 175.607 174.990 0.165 0.000 1.260 144 C CA -0.504 58.605 59.018 0.153 0.000 1.966 144 C CB -0.012 27.919 27.740 0.318 0.000 2.380 144 C HN 0.840 nan 8.230 nan 0.000 0.535 145 M N 1.945 121.615 119.600 0.116 0.000 2.664 145 M HA 0.544 5.028 4.480 0.006 0.000 0.314 145 M C -0.479 175.835 176.300 0.023 0.000 1.200 145 M CA -0.588 54.728 55.300 0.027 0.000 0.916 145 M CB 1.933 34.537 32.600 0.007 0.000 1.717 145 M HN 0.515 nan 8.290 nan 0.000 0.470 146 V N 1.141 120.967 119.914 -0.148 0.000 2.532 146 V HA 0.784 4.908 4.120 0.006 0.000 0.295 146 V C -0.119 175.971 176.094 -0.006 0.000 1.041 146 V CA -0.221 61.996 62.300 -0.139 0.000 0.926 146 V CB 1.633 33.216 31.823 -0.400 0.000 0.992 146 V HN 0.916 nan 8.190 nan 0.000 0.457 147 G N 3.486 112.324 108.800 0.064 0.000 2.332 147 G HA2 0.246 4.209 3.960 0.006 0.000 0.310 147 G HA3 0.246 4.209 3.960 0.006 0.000 0.310 147 G C 0.586 175.555 174.900 0.115 0.000 1.123 147 G CA -0.042 45.114 45.100 0.094 0.000 0.873 147 G HN 1.023 nan 8.290 nan 0.000 0.460 148 H N 1.855 120.956 119.070 0.052 0.000 2.387 148 H HA -0.109 4.450 4.556 0.006 0.000 0.299 148 H C 1.987 177.353 175.328 0.065 0.000 1.090 148 H CA 1.798 57.884 56.048 0.062 0.000 1.332 148 H CB 0.297 30.107 29.762 0.081 0.000 1.386 148 H HN 0.462 nan 8.280 nan 0.000 0.516 149 S N -0.274 115.381 115.700 -0.075 0.000 2.402 149 S HA -0.097 4.376 4.470 0.006 0.000 0.229 149 S C 2.118 176.659 174.600 -0.100 0.000 1.021 149 S CA 1.377 59.495 58.200 -0.136 0.000 0.974 149 S CB -0.175 63.015 63.200 -0.017 0.000 0.800 149 S HN 0.513 nan 8.310 nan 0.000 0.484 150 T N 2.950 117.492 114.554 -0.019 0.000 2.777 150 T HA 0.062 4.416 4.350 0.006 0.000 0.266 150 T C 1.725 176.430 174.700 0.007 0.000 1.040 150 T CA 0.868 62.981 62.100 0.020 0.000 1.141 150 T CB -0.371 68.565 68.868 0.114 0.000 0.868 150 T HN 0.268 nan 8.240 nan 0.000 0.444 151 L N 0.347 121.567 121.223 -0.004 0.000 2.046 151 L HA -0.088 4.255 4.340 0.006 0.000 0.208 151 L C 2.923 179.768 176.870 -0.042 0.000 1.077 151 L CA 1.374 56.215 54.840 0.002 0.000 0.747 151 L CB -0.525 41.553 42.059 0.031 0.000 0.896 151 L HN 0.169 nan 8.230 nan 0.000 0.432 152 R N 0.038 120.454 120.500 -0.139 0.000 2.073 152 R HA -0.138 4.206 4.340 0.006 0.000 0.234 152 R C 2.431 178.693 176.300 -0.064 0.000 1.134 152 R CA 1.434 57.456 56.100 -0.130 0.000 0.952 152 R CB -0.481 29.687 30.300 -0.220 0.000 0.850 152 R HN 0.348 nan 8.270 nan 0.000 0.433 153 A N 0.894 123.673 122.820 -0.067 0.000 2.019 153 A HA -0.084 4.240 4.320 0.006 0.000 0.219 153 A C 2.232 179.826 177.584 0.016 0.000 1.164 153 A CA 1.662 53.673 52.037 -0.042 0.000 0.644 153 A CB -0.390 18.548 19.000 -0.103 0.000 0.805 153 A HN 0.419 nan 8.150 nan 0.000 0.449 154 A N -1.181 121.652 122.820 0.022 0.000 2.016 154 A HA 0.251 4.575 4.320 0.006 0.000 0.217 154 A C 2.019 179.624 177.584 0.034 0.000 1.162 154 A CA 1.522 53.588 52.037 0.048 0.000 0.662 154 A CB -0.226 18.813 19.000 0.065 0.000 0.812 154 A HN 0.329 nan 8.150 nan 0.000 0.450 155 V N -0.485 119.441 119.914 0.020 0.000 2.690 155 V HA 0.129 4.252 4.120 0.006 0.000 0.240 155 V C 0.984 177.084 176.094 0.011 0.000 1.078 155 V CA 0.611 62.922 62.300 0.018 0.000 1.102 155 V CB -0.337 31.499 31.823 0.022 0.000 0.800 155 V HN 0.467 nan 8.190 nan 0.000 0.479 156 M N 2.465 122.067 119.600 0.003 0.000 2.185 156 M HA 0.233 4.717 4.480 0.006 0.000 0.357 156 M C -1.322 174.976 176.300 -0.003 0.000 1.260 156 M CA -1.293 54.006 55.300 -0.001 0.000 1.124 156 M CB 1.066 33.662 32.600 -0.007 0.000 1.600 156 M HN 0.020 nan 8.290 nan 0.000 0.467 157 P HA -0.042 nan 4.420 nan 0.000 0.220 157 P C -0.356 176.936 177.300 -0.013 0.000 1.152 157 P CA 1.266 64.362 63.100 -0.007 0.000 0.812 157 P CB 0.127 31.822 31.700 -0.009 0.000 0.792 158 D N -0.644 119.744 120.400 -0.020 0.000 2.593 158 D HA 0.233 4.877 4.640 0.006 0.000 0.251 158 D C 0.723 176.997 176.300 -0.043 0.000 1.140 158 D CA -0.532 53.447 54.000 -0.035 0.000 0.855 158 D CB 1.040 41.816 40.800 -0.042 0.000 1.267 158 D HN -0.206 nan 8.370 nan 0.000 0.532 159 L N 2.739 123.933 121.223 -0.048 0.000 2.529 159 L HA 0.254 4.597 4.340 0.006 0.000 0.223 159 L C 1.344 178.172 176.870 -0.071 0.000 1.113 159 L CA 0.087 54.902 54.840 -0.041 0.000 0.861 159 L CB 0.046 42.087 42.059 -0.029 0.000 1.012 159 L HN 0.256 nan 8.230 nan 0.000 0.461 160 R N 1.952 122.346 120.500 -0.175 0.000 4.609 160 R HA 0.163 4.506 4.340 0.006 0.000 0.235 160 R C -0.277 175.616 176.300 -0.680 0.000 1.836 160 R CA -0.028 55.769 56.100 -0.505 0.000 1.564 160 R CB -0.245 29.796 30.300 -0.431 0.000 1.382 160 R HN 0.376 nan 8.270 nan 0.000 0.776 161 R N -1.857 118.472 120.500 -0.286 0.000 2.780 161 R HA 0.211 4.554 4.340 0.006 0.000 0.280 161 R C -1.375 174.952 176.300 0.045 0.000 1.016 161 R CA -1.007 55.029 56.100 -0.106 0.000 0.854 161 R CB 0.804 31.050 30.300 -0.090 0.000 1.293 161 R HN 0.029 nan 8.270 nan 0.000 0.483 162 E N 0.622 120.863 120.200 0.069 0.000 2.373 162 E HA 0.427 4.781 4.350 0.006 0.000 0.263 162 E C -0.546 176.087 176.600 0.055 0.000 1.073 162 E CA -0.277 56.171 56.400 0.080 0.000 0.894 162 E CB 1.204 30.947 29.700 0.071 0.000 1.008 162 E HN 0.579 nan 8.360 nan 0.000 0.420 163 A N 2.377 125.238 122.820 0.067 0.000 2.371 163 A HA 0.257 4.581 4.320 0.006 0.000 0.257 163 A C 0.324 177.934 177.584 0.044 0.000 1.089 163 A CA -0.140 51.929 52.037 0.055 0.000 0.794 163 A CB 0.394 19.439 19.000 0.075 0.000 1.029 163 A HN 0.717 nan 8.150 nan 0.000 0.488 164 T N -0.826 113.748 114.554 0.033 0.000 2.788 164 T HA 0.484 4.838 4.350 0.006 0.000 0.287 164 T C 1.394 176.113 174.700 0.030 0.000 1.007 164 T CA -0.014 62.102 62.100 0.027 0.000 1.005 164 T CB 0.972 69.852 68.868 0.020 0.000 1.012 164 T HN 1.218 nan 8.240 nan 0.000 0.530 165 A N 0.687 123.523 122.820 0.026 0.000 1.908 165 A HA -0.110 4.214 4.320 0.006 0.000 0.218 165 A C 2.090 179.690 177.584 0.027 0.000 1.181 165 A CA 1.764 53.817 52.037 0.026 0.000 0.627 165 A CB -1.055 17.958 19.000 0.021 0.000 0.818 165 A HN 0.919 nan 8.150 nan 0.000 0.445 166 D N -0.426 119.988 120.400 0.024 0.000 2.117 166 D HA -0.119 4.525 4.640 0.006 0.000 0.197 166 D C 1.963 178.280 176.300 0.028 0.000 0.987 166 D CA 1.438 55.452 54.000 0.023 0.000 0.829 166 D CB -0.304 40.507 40.800 0.019 0.000 0.961 166 D HN 0.668 nan 8.370 nan 0.000 0.460 167 E N 0.338 120.556 120.200 0.029 0.000 2.072 167 E HA -0.097 4.257 4.350 0.006 0.000 0.191 167 E C 2.388 179.016 176.600 0.046 0.000 0.985 167 E CA 0.398 56.819 56.400 0.034 0.000 0.801 167 E CB 0.016 29.735 29.700 0.032 0.000 0.750 167 E HN 0.296 nan 8.360 nan 0.000 0.452 168 I N 1.209 121.809 120.570 0.051 0.000 2.208 168 I HA -0.330 3.844 4.170 0.006 0.000 0.245 168 I C 2.464 178.613 176.117 0.054 0.000 1.097 168 I CA 1.331 62.667 61.300 0.061 0.000 1.363 168 I CB -0.238 37.796 38.000 0.056 0.000 1.051 168 I HN 0.141 nan 8.210 nan 0.000 0.413 169 Q N 0.368 120.193 119.800 0.043 0.000 2.124 169 Q HA -0.187 4.157 4.340 0.006 0.000 0.202 169 Q C 2.436 178.461 176.000 0.041 0.000 0.977 169 Q CA 1.815 57.641 55.803 0.039 0.000 0.850 169 Q CB -0.240 28.517 28.738 0.032 0.000 0.901 169 Q HN 0.592 nan 8.270 nan 0.000 0.429 170 A N 0.451 123.295 122.820 0.040 0.000 1.898 170 A HA -0.173 4.150 4.320 0.006 0.000 0.216 170 A C 2.024 179.636 177.584 0.047 0.000 1.181 170 A CA 1.297 53.358 52.037 0.040 0.000 0.620 170 A CB -0.426 18.595 19.000 0.035 0.000 0.819 170 A HN 0.290 nan 8.150 nan 0.000 0.442 171 M N -1.119 118.515 119.600 0.055 0.000 2.132 171 M HA -0.172 4.312 4.480 0.006 0.000 0.263 171 M C 2.519 178.859 176.300 0.068 0.000 1.065 171 M CA 1.647 56.988 55.300 0.068 0.000 1.122 171 M CB -0.362 32.294 32.600 0.093 0.000 1.365 171 M HN 0.539 nan 8.290 nan 0.000 0.411 172 Q N 0.698 120.537 119.800 0.066 0.000 2.084 172 Q HA -0.176 4.167 4.340 0.006 0.000 0.202 172 Q C 1.977 178.007 176.000 0.050 0.000 0.978 172 Q CA 2.019 57.857 55.803 0.060 0.000 0.844 172 Q CB -0.129 28.642 28.738 0.055 0.000 0.898 172 Q HN 0.535 nan 8.270 nan 0.000 0.426 173 A N 0.883 123.731 122.820 0.047 0.000 1.902 173 A HA -0.154 4.170 4.320 0.006 0.000 0.217 173 A C 2.245 179.852 177.584 0.038 0.000 1.181 173 A CA 1.257 53.320 52.037 0.044 0.000 0.623 173 A CB -0.688 18.338 19.000 0.043 0.000 0.818 173 A HN 0.417 nan 8.150 nan 0.000 0.443 174 L N -0.929 120.318 121.223 0.039 0.000 2.027 174 L HA -0.167 4.177 4.340 0.006 0.000 0.206 174 L C 3.130 179.997 176.870 -0.005 0.000 1.074 174 L CA 1.007 55.868 54.840 0.035 0.000 0.745 174 L CB -0.583 41.507 42.059 0.052 0.000 0.898 174 L HN 0.435 nan 8.230 nan 0.000 0.433 175 A N 0.004 122.821 122.820 -0.004 0.000 1.908 175 A HA -0.320 4.004 4.320 0.006 0.000 0.218 175 A C 1.952 179.486 177.584 -0.083 0.000 1.181 175 A CA 2.353 54.363 52.037 -0.045 0.000 0.627 175 A CB -0.725 18.282 19.000 0.012 0.000 0.818 175 A HN 0.476 nan 8.150 nan 0.000 0.445 176 D N -0.552 119.832 120.400 -0.026 0.000 2.117 176 D HA -0.135 4.509 4.640 0.006 0.000 0.198 176 D C 1.347 177.587 176.300 -0.101 0.000 0.982 176 D CA 1.379 55.364 54.000 -0.024 0.000 0.828 176 D CB -0.080 40.772 40.800 0.087 0.000 0.967 176 D HN 0.379 nan 8.370 nan 0.000 0.464 177 D N 0.023 120.397 120.400 -0.043 0.000 2.117 177 D HA -0.146 4.497 4.640 0.006 0.000 0.197 177 D C 2.029 178.286 176.300 -0.071 0.000 0.987 177 D CA 1.278 55.265 54.000 -0.022 0.000 0.829 177 D CB -0.433 40.388 40.800 0.034 0.000 0.961 177 D HN 0.315 nan 8.370 nan 0.000 0.460 178 A N 1.124 123.856 122.820 -0.147 0.000 1.865 178 A HA -0.154 4.170 4.320 0.006 0.000 0.217 178 A C 2.464 179.839 177.584 -0.348 0.000 1.191 178 A CA 1.062 52.891 52.037 -0.346 0.000 0.623 178 A CB -0.926 17.615 19.000 -0.765 0.000 0.826 178 A HN 0.194 nan 8.150 nan 0.000 0.444 179 L N -0.786 120.203 121.223 -0.390 0.000 2.042 179 L HA -0.235 4.109 4.340 0.006 0.000 0.210 179 L C 3.096 179.694 176.870 -0.453 0.000 1.076 179 L CA 1.149 55.722 54.840 -0.445 0.000 0.749 179 L CB -0.606 41.082 42.059 -0.618 0.000 0.893 179 L HN 0.461 nan 8.230 nan 0.000 0.432 180 A N -0.753 121.784 122.820 -0.471 0.000 1.972 180 A HA -0.179 4.145 4.320 0.006 0.000 0.219 180 A C 2.435 179.997 177.584 -0.036 0.000 1.169 180 A CA 2.062 53.990 52.037 -0.182 0.000 0.635 180 A CB -0.485 18.498 19.000 -0.028 0.000 0.810 180 A HN 0.404 nan 8.150 nan 0.000 0.446 181 S N -2.043 113.651 115.700 -0.011 0.000 2.489 181 S HA 0.317 4.791 4.470 0.006 0.000 0.228 181 S C 1.378 176.031 174.600 0.090 0.000 0.995 181 S CA 1.000 59.246 58.200 0.077 0.000 0.934 181 S CB 0.231 63.540 63.200 0.183 0.000 0.771 181 S HN 1.475 nan 8.310 nan 0.000 0.522 182 G N 0.453 109.283 108.800 0.050 0.000 2.370 182 G HA2 0.048 4.012 3.960 0.006 0.000 0.174 182 G HA3 0.048 4.012 3.960 0.006 0.000 0.174 182 G C 0.099 175.044 174.900 0.076 0.000 1.002 182 G CA -0.330 44.809 45.100 0.066 0.000 0.730 182 G HN 0.675 nan 8.290 nan 0.000 0.497 183 A N 0.853 123.684 122.820 0.019 0.000 2.540 183 A HA 0.546 4.870 4.320 0.006 0.000 0.239 183 A C 1.567 179.133 177.584 -0.030 0.000 1.061 183 A CA 0.622 52.629 52.037 -0.050 0.000 0.758 183 A CB -0.126 18.606 19.000 -0.445 0.000 0.991 183 A HN 1.373 nan 8.150 nan 0.000 0.502 184 I N -0.113 120.470 120.570 0.021 0.000 3.684 184 I HA 0.508 4.682 4.170 0.006 0.000 0.304 184 I C 0.726 176.879 176.117 0.061 0.000 1.278 184 I CA 0.451 61.783 61.300 0.053 0.000 1.272 184 I CB -0.332 37.722 38.000 0.091 0.000 1.029 184 I HN 0.694 nan 8.210 nan 0.000 0.458 185 G N 1.119 109.929 108.800 0.017 0.000 2.321 185 G HA2 0.507 4.471 3.960 0.006 0.000 0.296 185 G HA3 0.507 4.471 3.960 0.006 0.000 0.296 185 G C -1.730 173.162 174.900 -0.013 0.000 1.287 185 G CA -0.783 44.336 45.100 0.031 0.000 0.846 185 G HN 0.091 nan 8.290 nan 0.000 0.508 186 I N 1.035 121.612 120.570 0.012 0.000 2.582 186 I HA 0.575 4.749 4.170 0.006 0.000 0.292 186 I C 0.128 176.212 176.117 -0.056 0.000 1.066 186 I CA -0.873 60.425 61.300 -0.002 0.000 1.053 186 I CB 2.452 40.484 38.000 0.052 0.000 1.241 186 I HN 0.722 nan 8.210 nan 0.000 0.421 187 S N 2.797 118.471 115.700 -0.043 0.000 2.600 187 S HA 0.889 5.363 4.470 0.006 0.000 0.300 187 S C -0.447 174.143 174.600 -0.016 0.000 1.087 187 S CA -0.517 57.620 58.200 -0.104 0.000 0.965 187 S CB 2.163 65.351 63.200 -0.021 0.000 1.089 187 S HN 0.719 nan 8.310 nan 0.000 0.496 188 T N -2.648 111.875 114.554 -0.051 0.000 2.901 188 T HA 0.819 5.173 4.350 0.006 0.000 0.293 188 T C -0.023 174.793 174.700 0.194 0.000 1.084 188 T CA -0.601 61.570 62.100 0.118 0.000 1.008 188 T CB 1.472 70.392 68.868 0.087 0.000 1.170 188 T HN 1.466 nan 8.240 nan 0.000 0.509 189 G N -0.358 108.602 108.800 0.267 0.000 4.079 189 G HA2 0.558 4.522 3.960 0.006 0.000 0.271 189 G HA3 0.558 4.522 3.960 0.006 0.000 0.271 189 G C 0.684 175.729 174.900 0.242 0.000 1.144 189 G CA 0.001 45.275 45.100 0.290 0.000 0.700 189 G HN 1.075 nan 8.290 nan 0.000 0.500 190 A N 0.454 123.392 122.820 0.197 0.000 2.225 190 A HA 0.074 4.397 4.320 0.006 0.000 0.215 190 A C 1.705 179.336 177.584 0.079 0.000 1.164 190 A CA 1.158 53.283 52.037 0.147 0.000 0.710 190 A CB -0.359 18.716 19.000 0.126 0.000 0.780 190 A HN 0.906 nan 8.150 nan 0.000 0.473 191 F N -0.387 119.470 119.950 -0.155 0.000 2.234 191 F HA 0.015 4.547 4.527 0.008 0.000 0.299 191 F C 0.353 175.943 175.800 -0.349 0.000 1.087 191 F CA 0.262 58.071 58.000 -0.319 0.000 1.340 191 F CB -0.241 38.404 39.000 -0.591 0.000 1.031 191 F HN 0.238 nan 8.300 nan 0.000 0.500 192 Y N 0.741 120.934 120.300 -0.178 0.000 2.307 192 Y HA 0.280 4.834 4.550 0.006 0.000 0.324 192 Y C -1.023 174.782 175.900 -0.158 0.000 1.238 192 Y CA -2.694 55.259 58.100 -0.245 0.000 1.280 192 Y CB -0.462 37.943 38.460 -0.093 0.000 1.248 192 Y HN -0.201 nan 8.280 nan 0.000 0.508 193 P HA -0.206 nan 4.420 nan 0.000 0.217 193 P C -1.305 176.026 177.300 0.052 0.000 1.162 193 P CA 2.279 65.389 63.100 0.017 0.000 0.901 193 P CB -0.823 30.878 31.700 0.002 0.000 0.793 194 P HA -0.111 nan 4.420 nan 0.000 0.219 194 P C 0.791 178.114 177.300 0.038 0.000 1.146 194 P CA 2.028 65.135 63.100 0.012 0.000 0.808 194 P CB -0.432 31.249 31.700 -0.032 0.000 0.779 195 A N -1.832 121.038 122.820 0.083 0.000 2.571 195 A HA 0.577 4.901 4.320 0.006 0.000 0.274 195 A C 1.804 179.460 177.584 0.120 0.000 1.196 195 A CA 0.452 52.566 52.037 0.127 0.000 0.957 195 A CB -0.479 18.640 19.000 0.197 0.000 1.150 195 A HN 0.079 nan 8.150 nan 0.000 0.539 196 A N -0.421 122.436 122.820 0.062 0.000 1.972 196 A HA -0.152 4.172 4.320 0.006 0.000 0.219 196 A C 1.640 179.149 177.584 -0.125 0.000 1.169 196 A CA 1.403 53.407 52.037 -0.055 0.000 0.635 196 A CB -0.751 18.164 19.000 -0.141 0.000 0.810 196 A HN 0.644 nan 8.150 nan 0.000 0.446 197 H N -0.775 118.311 119.070 0.025 0.000 2.526 197 H HA 0.390 4.950 4.556 0.007 0.000 0.274 197 H C 0.734 176.091 175.328 0.049 0.000 0.999 197 H CA 0.351 56.415 56.048 0.026 0.000 1.157 197 H CB -0.119 29.652 29.762 0.015 0.000 1.407 197 H HN 0.494 nan 8.280 nan 0.000 0.568 198 A N 1.991 124.906 122.820 0.158 0.000 2.366 198 A HA 0.299 4.623 4.320 0.006 0.000 0.272 198 A C 0.807 178.451 177.584 0.099 0.000 1.135 198 A CA -0.346 51.791 52.037 0.167 0.000 0.804 198 A CB 0.278 19.454 19.000 0.293 0.000 1.064 198 A HN 0.350 nan 8.150 nan 0.000 0.499 199 S N 2.001 117.748 115.700 0.077 0.000 2.632 199 S HA 0.291 4.765 4.470 0.006 0.000 0.267 199 S C 1.089 175.703 174.600 0.022 0.000 1.276 199 S CA 0.246 58.471 58.200 0.041 0.000 0.998 199 S CB 0.725 63.946 63.200 0.036 0.000 0.953 199 S HN 0.637 nan 8.310 nan 0.000 0.547 200 T N 1.382 115.939 114.554 0.006 0.000 2.720 200 T HA -0.091 4.263 4.350 0.006 0.000 0.268 200 T C 1.609 176.295 174.700 -0.023 0.000 1.037 200 T CA 1.508 63.600 62.100 -0.013 0.000 1.144 200 T CB -0.415 68.442 68.868 -0.018 0.000 0.864 200 T HN 0.629 nan 8.240 nan 0.000 0.444 201 E N 0.988 121.183 120.200 -0.009 0.000 2.077 201 E HA -0.132 4.222 4.350 0.006 0.000 0.193 201 E C 2.221 178.820 176.600 -0.002 0.000 0.989 201 E CA 0.884 57.280 56.400 -0.008 0.000 0.800 201 E CB -0.313 29.389 29.700 0.002 0.000 0.746 201 E HN 0.670 nan 8.360 nan 0.000 0.452 202 E N 0.612 120.821 120.200 0.015 0.000 2.058 202 E HA -0.183 4.170 4.350 0.006 0.000 0.194 202 E C 2.262 178.861 176.600 -0.002 0.000 0.997 202 E CA 0.963 57.385 56.400 0.036 0.000 0.801 202 E CB -0.154 29.596 29.700 0.083 0.000 0.746 202 E HN 0.201 nan 8.360 nan 0.000 0.450 203 I N 0.845 121.377 120.570 -0.063 0.000 2.208 203 I HA -0.302 3.872 4.170 0.006 0.000 0.245 203 I C 2.432 178.502 176.117 -0.079 0.000 1.097 203 I CA 1.012 62.220 61.300 -0.153 0.000 1.363 203 I CB -0.192 37.729 38.000 -0.130 0.000 1.051 203 I HN 0.234 nan 8.210 nan 0.000 0.413 204 I N 0.195 120.724 120.570 -0.068 0.000 2.142 204 I HA -0.258 3.916 4.170 0.006 0.000 0.240 204 I C 2.582 178.683 176.117 -0.027 0.000 1.078 204 I CA 1.210 62.469 61.300 -0.069 0.000 1.343 204 I CB -0.444 37.516 38.000 -0.066 0.000 1.046 204 I HN 0.202 nan 8.210 nan 0.000 0.405 205 E N 0.610 120.806 120.200 -0.007 0.000 2.058 205 E HA -0.173 4.181 4.350 0.006 0.000 0.194 205 E C 2.412 179.030 176.600 0.030 0.000 0.997 205 E CA 1.229 57.637 56.400 0.013 0.000 0.801 205 E CB -0.578 29.136 29.700 0.022 0.000 0.746 205 E HN 0.328 nan 8.360 nan 0.000 0.450 206 V N 0.615 120.553 119.914 0.041 0.000 2.490 206 V HA -0.237 3.886 4.120 0.006 0.000 0.250 206 V C 2.274 178.408 176.094 0.067 0.000 1.061 206 V CA 1.490 63.833 62.300 0.070 0.000 1.064 206 V CB -0.455 31.440 31.823 0.121 0.000 0.670 206 V HN 0.276 nan 8.190 nan 0.000 0.461 207 C N -0.366 118.966 119.300 0.053 0.000 2.626 207 C HA 0.122 4.585 4.460 0.006 0.000 0.266 207 C C 2.557 177.582 174.990 0.058 0.000 1.317 207 C CA -0.366 58.698 59.018 0.076 0.000 1.716 207 C CB -1.474 26.338 27.740 0.121 0.000 1.819 207 C HN 0.475 nan 8.230 nan 0.000 0.578 208 R N 1.829 122.352 120.500 0.039 0.000 2.139 208 R HA -0.134 4.210 4.340 0.006 0.000 0.243 208 R C -0.688 175.645 176.300 0.055 0.000 1.145 208 R CA 1.454 57.574 56.100 0.033 0.000 0.976 208 R CB -1.389 28.925 30.300 0.023 0.000 0.866 208 R HN 0.404 nan 8.270 nan 0.000 0.449 209 P HA -0.122 nan 4.420 nan 0.000 0.223 209 P C 0.994 178.404 177.300 0.184 0.000 1.144 209 P CA 0.996 64.185 63.100 0.149 0.000 0.783 209 P CB -0.046 31.759 31.700 0.175 0.000 0.771 210 L N -1.065 120.231 121.223 0.121 0.000 2.042 210 L HA -0.187 4.157 4.340 0.006 0.000 0.210 210 L C 2.327 179.252 176.870 0.091 0.000 1.076 210 L CA 1.445 56.354 54.840 0.115 0.000 0.749 210 L CB -0.688 41.432 42.059 0.102 0.000 0.893 210 L HN 0.006 nan 8.230 nan 0.000 0.432 211 I N -0.683 119.920 120.570 0.054 0.000 2.439 211 I HA -0.254 3.920 4.170 0.006 0.000 0.251 211 I C 2.271 178.386 176.117 -0.003 0.000 1.139 211 I CA 1.238 62.552 61.300 0.024 0.000 1.438 211 I CB 0.045 38.050 38.000 0.008 0.000 1.085 211 I HN 0.254 nan 8.210 nan 0.000 0.427 212 T N -0.269 114.266 114.554 -0.031 0.000 2.777 212 T HA -0.147 4.207 4.350 0.006 0.000 0.266 212 T C 1.607 176.166 174.700 -0.236 0.000 1.040 212 T CA 1.288 63.293 62.100 -0.159 0.000 1.141 212 T CB -0.360 68.349 68.868 -0.266 0.000 0.868 212 T HN 0.460 nan 8.240 nan 0.000 0.444 213 H N 0.210 119.288 119.070 0.013 0.000 2.553 213 H HA 0.331 4.891 4.556 0.006 0.000 0.265 213 H C 1.639 176.978 175.328 0.018 0.000 0.964 213 H CA 0.425 56.482 56.048 0.014 0.000 1.156 213 H CB 0.062 29.830 29.762 0.010 0.000 1.411 213 H HN 0.504 nan 8.280 nan 0.000 0.558 214 G N 1.426 110.289 108.800 0.106 0.000 2.324 214 G HA2 -0.192 3.772 3.960 0.006 0.000 0.292 214 G HA3 -0.192 3.772 3.960 0.006 0.000 0.292 214 G C 0.507 175.457 174.900 0.084 0.000 1.079 214 G CA 0.310 45.455 45.100 0.074 0.000 1.026 214 G HN 0.686 nan 8.290 nan 0.000 0.506 215 G N -1.740 107.115 108.800 0.092 0.000 2.667 215 G HA2 0.959 4.923 3.960 0.006 0.000 0.310 215 G HA3 0.959 4.923 3.960 0.006 0.000 0.310 215 G C 0.231 175.181 174.900 0.083 0.000 1.259 215 G CA 0.051 45.201 45.100 0.084 0.000 1.019 215 G HN 1.604 nan 8.290 nan 0.000 0.496 216 V N -2.339 117.628 119.914 0.088 0.000 2.834 216 V HA 0.708 4.832 4.120 0.006 0.000 0.313 216 V C -0.893 175.282 176.094 0.134 0.000 1.060 216 V CA -1.288 61.064 62.300 0.086 0.000 0.989 216 V CB 1.573 33.410 31.823 0.023 0.000 1.041 216 V HN 0.681 nan 8.190 nan 0.000 0.459 217 Y N 2.482 122.796 120.300 0.024 0.000 2.369 217 Y HA 0.777 5.331 4.550 0.006 0.000 0.337 217 Y C 0.090 176.017 175.900 0.046 0.000 0.961 217 Y CA -0.331 57.790 58.100 0.034 0.000 1.186 217 Y CB 0.611 39.085 38.460 0.022 0.000 1.139 217 Y HN 1.119 nan 8.280 nan 0.000 0.494 218 A N 4.469 127.056 122.820 -0.388 0.000 2.337 218 A HA 0.753 5.077 4.320 0.006 0.000 0.329 218 A C -0.667 176.667 177.584 -0.417 0.000 1.146 218 A CA -0.509 51.386 52.037 -0.237 0.000 0.800 218 A CB 1.426 20.418 19.000 -0.013 0.000 1.220 218 A HN 0.686 nan 8.150 nan 0.000 0.472 219 T N 0.048 114.483 114.554 -0.198 0.000 2.993 219 T HA 0.413 4.766 4.350 0.006 0.000 0.312 219 T C -1.320 173.397 174.700 0.028 0.000 1.115 219 T CA -0.385 61.649 62.100 -0.110 0.000 1.027 219 T CB 0.765 69.593 68.868 -0.067 0.000 1.116 219 T HN 0.800 nan 8.240 nan 0.000 0.464 220 H N 5.731 124.815 119.070 0.024 0.000 2.741 220 H HA 0.516 5.076 4.556 0.007 0.000 0.282 220 H C 0.741 176.117 175.328 0.080 0.000 1.122 220 H CA -0.904 55.180 56.048 0.060 0.000 1.293 220 H CB 0.329 30.249 29.762 0.264 0.000 1.415 220 H HN 0.546 nan 8.280 nan 0.000 0.472 221 M N 3.810 123.538 119.600 0.214 0.000 2.247 221 M HA -0.104 4.379 4.480 0.006 0.000 0.318 221 M C 1.982 178.410 176.300 0.214 0.000 1.054 221 M CA 0.594 55.990 55.300 0.160 0.000 1.117 221 M CB 0.672 33.308 32.600 0.060 0.000 1.515 221 M HN 0.747 nan 8.290 nan 0.000 0.442 222 R N 0.862 121.453 120.500 0.151 0.000 2.117 222 R HA -0.151 4.192 4.340 0.006 0.000 0.243 222 R C 0.264 176.682 176.300 0.196 0.000 1.143 222 R CA 1.549 57.742 56.100 0.155 0.000 0.968 222 R CB 0.212 30.564 30.300 0.087 0.000 0.863 222 R HN 0.732 nan 8.270 nan 0.000 0.444 223 D N -1.586 118.896 120.400 0.137 0.000 2.753 223 D HA 0.073 4.716 4.640 0.006 0.000 0.224 223 D C -1.078 175.246 176.300 0.040 0.000 1.213 223 D CA -0.303 53.773 54.000 0.127 0.000 0.833 223 D CB 1.716 42.617 40.800 0.168 0.000 1.607 223 D HN 0.074 nan 8.370 nan 0.000 0.463 224 E N 1.076 121.260 120.200 -0.027 0.000 2.812 224 E HA 0.296 4.650 4.350 0.006 0.000 0.211 224 E C 0.386 176.952 176.600 -0.058 0.000 0.986 224 E CA -0.420 55.942 56.400 -0.063 0.000 1.119 224 E CB 1.681 31.292 29.700 -0.148 0.000 1.046 224 E HN 0.496 nan 8.360 nan 0.000 0.474 225 G N 0.931 109.716 108.800 -0.026 0.000 3.244 225 G HA2 -0.023 3.941 3.960 0.006 0.000 0.197 225 G HA3 -0.023 3.941 3.960 0.006 0.000 0.197 225 G C 0.736 175.592 174.900 -0.073 0.000 1.531 225 G CA -0.161 44.913 45.100 -0.043 0.000 0.747 225 G HN 0.110 nan 8.290 nan 0.000 0.763 226 E N -0.121 119.998 120.200 -0.134 0.000 2.130 226 E HA -0.190 4.164 4.350 0.006 0.000 0.196 226 E C 0.955 177.312 176.600 -0.405 0.000 0.998 226 E CA 1.127 57.348 56.400 -0.299 0.000 0.806 226 E CB -0.093 29.347 29.700 -0.433 0.000 0.738 226 E HN 0.481 nan 8.360 nan 0.000 0.459 227 H N -0.297 118.772 119.070 -0.001 0.000 2.488 227 H HA 0.115 4.675 4.556 0.007 0.000 0.294 227 H C 1.467 176.795 175.328 -0.001 0.000 1.088 227 H CA -0.091 55.958 56.048 0.001 0.000 1.086 227 H CB 0.145 29.910 29.762 0.005 0.000 1.569 227 H HN 0.296 nan 8.280 nan 0.000 0.548 228 I N 0.194 120.793 120.570 0.049 0.000 2.493 228 I HA -0.223 3.951 4.170 0.006 0.000 0.254 228 I C 1.712 177.840 176.117 0.019 0.000 1.160 228 I CA 0.590 61.911 61.300 0.034 0.000 1.445 228 I CB 0.162 38.175 38.000 0.021 0.000 1.086 228 I HN 0.009 nan 8.210 nan 0.000 0.433 229 V N 0.885 120.814 119.914 0.025 0.000 2.343 229 V HA -0.296 3.828 4.120 0.006 0.000 0.247 229 V C 2.399 178.500 176.094 0.012 0.000 1.051 229 V CA 1.807 64.121 62.300 0.022 0.000 1.036 229 V CB -0.650 31.194 31.823 0.035 0.000 0.654 229 V HN 0.464 nan 8.190 nan 0.000 0.451 230 Q N 0.275 120.099 119.800 0.039 0.000 2.119 230 Q HA -0.032 4.312 4.340 0.006 0.000 0.201 230 Q C 2.264 178.258 176.000 -0.010 0.000 0.972 230 Q CA 1.838 57.659 55.803 0.030 0.000 0.847 230 Q CB -0.779 27.999 28.738 0.067 0.000 0.903 230 Q HN 0.637 nan 8.270 nan 0.000 0.433 231 A N -0.079 122.737 122.820 -0.007 0.000 1.968 231 A HA -0.050 4.274 4.320 0.006 0.000 0.217 231 A C 2.016 179.518 177.584 -0.137 0.000 1.169 231 A CA 0.781 52.800 52.037 -0.031 0.000 0.638 231 A CB -0.515 18.493 19.000 0.013 0.000 0.812 231 A HN 0.324 nan 8.150 nan 0.000 0.446 232 L N -0.625 120.475 121.223 -0.206 0.000 2.027 232 L HA -0.132 4.212 4.340 0.006 0.000 0.206 232 L C 2.600 179.043 176.870 -0.712 0.000 1.074 232 L CA 1.104 55.630 54.840 -0.522 0.000 0.745 232 L CB -0.401 41.417 42.059 -0.402 0.000 0.898 232 L HN 0.303 nan 8.230 nan 0.000 0.433 233 E N -0.045 119.995 120.200 -0.267 0.000 2.110 233 E HA -0.278 4.076 4.350 0.006 0.000 0.193 233 E C 1.923 178.483 176.600 -0.068 0.000 0.988 233 E CA 1.153 57.519 56.400 -0.058 0.000 0.804 233 E CB -0.118 29.610 29.700 0.046 0.000 0.745 233 E HN 0.519 nan 8.360 nan 0.000 0.458 234 E N 0.341 120.484 120.200 -0.094 0.000 2.077 234 E HA -0.150 4.204 4.350 0.006 0.000 0.193 234 E C 1.763 178.314 176.600 -0.081 0.000 0.989 234 E CA 1.580 57.944 56.400 -0.059 0.000 0.800 234 E CB 0.096 29.774 29.700 -0.037 0.000 0.746 234 E HN 0.080 nan 8.360 nan 0.000 0.452 235 T N 0.473 114.933 114.554 -0.157 0.000 2.708 235 T HA -0.124 4.230 4.350 0.006 0.000 0.266 235 T C 1.381 176.053 174.700 -0.047 0.000 1.037 235 T CA 1.380 63.409 62.100 -0.118 0.000 1.146 235 T CB -0.340 68.409 68.868 -0.199 0.000 0.865 235 T HN 0.164 nan 8.240 nan 0.000 0.435 236 F N 1.673 121.619 119.950 -0.006 0.000 2.134 236 F HA 0.023 4.553 4.527 0.005 0.000 0.299 236 F C 2.523 178.295 175.800 -0.046 0.000 1.097 236 F CA 0.614 58.601 58.000 -0.021 0.000 1.264 236 F CB -1.032 37.960 39.000 -0.013 0.000 1.001 236 F HN -0.004 nan 8.300 nan 0.000 0.479 237 R N 1.210 121.789 120.500 0.132 0.000 2.083 237 R HA -0.152 4.191 4.340 0.006 0.000 0.237 237 R C 2.113 178.395 176.300 -0.031 0.000 1.137 237 R CA 1.640 57.765 56.100 0.041 0.000 0.951 237 R CB -1.178 29.132 30.300 0.017 0.000 0.851 237 R HN 0.361 nan 8.270 nan 0.000 0.434 238 I N -0.095 120.416 120.570 -0.099 0.000 2.163 238 I HA -0.219 3.955 4.170 0.006 0.000 0.243 238 I C 2.297 178.278 176.117 -0.227 0.000 1.085 238 I CA 1.699 62.860 61.300 -0.233 0.000 1.347 238 I CB -0.830 36.892 38.000 -0.463 0.000 1.044 238 I HN 0.470 nan 8.210 nan 0.000 0.408 239 G N 0.628 109.341 108.800 -0.145 0.000 2.440 239 G HA2 -0.243 3.721 3.960 0.006 0.000 0.218 239 G HA3 -0.243 3.721 3.960 0.006 0.000 0.218 239 G C 1.818 176.695 174.900 -0.039 0.000 1.154 239 G CA 0.541 45.600 45.100 -0.068 0.000 0.767 239 G HN 0.309 nan 8.290 nan 0.000 0.552 240 R N 0.032 120.522 120.500 -0.017 0.000 2.075 240 R HA -0.028 4.316 4.340 0.006 0.000 0.232 240 R C 2.505 178.788 176.300 -0.029 0.000 1.126 240 R CA 1.201 57.292 56.100 -0.015 0.000 0.963 240 R CB -0.184 30.115 30.300 -0.001 0.000 0.858 240 R HN 0.268 nan 8.270 nan 0.000 0.435 241 E N 0.777 120.951 120.200 -0.045 0.000 2.106 241 E HA -0.133 4.221 4.350 0.006 0.000 0.192 241 E C 2.060 178.631 176.600 -0.048 0.000 0.984 241 E CA 1.021 57.393 56.400 -0.046 0.000 0.806 241 E CB -0.029 29.638 29.700 -0.056 0.000 0.750 241 E HN 0.370 nan 8.360 nan 0.000 0.458 242 L N 0.060 121.242 121.223 -0.067 0.000 2.307 242 L HA 0.009 4.352 4.340 0.006 0.000 0.211 242 L C 0.470 177.325 176.870 -0.025 0.000 1.099 242 L CA 0.254 55.064 54.840 -0.050 0.000 0.816 242 L CB -0.068 41.947 42.059 -0.073 0.000 0.952 242 L HN 0.046 nan 8.230 nan 0.000 0.455 243 D N 0.385 120.770 120.400 -0.025 0.000 2.775 243 D HA -0.137 4.506 4.640 0.006 0.000 0.235 243 D C -0.503 175.797 176.300 -0.000 0.000 1.120 243 D CA 0.808 54.801 54.000 -0.012 0.000 0.708 243 D CB -0.790 40.004 40.800 -0.010 0.000 1.084 243 D HN 0.166 nan 8.370 nan 0.000 0.434 244 V N -3.927 115.991 119.914 0.006 0.000 3.141 244 V HA 0.948 5.072 4.120 0.006 0.000 0.312 244 V C -2.527 173.588 176.094 0.035 0.000 1.157 244 V CA -2.005 60.311 62.300 0.026 0.000 1.041 244 V CB 1.987 33.840 31.823 0.050 0.000 1.071 244 V HN -0.065 nan 8.190 nan 0.000 0.441 245 P HA 0.414 nan 4.420 nan 0.000 0.275 245 P C -0.552 176.793 177.300 0.074 0.000 1.227 245 P CA -0.083 63.032 63.100 0.025 0.000 0.781 245 P CB 1.043 32.729 31.700 -0.023 0.000 0.906 246 V N 1.403 121.377 119.914 0.099 0.000 2.547 246 V HA 0.656 4.779 4.120 0.006 0.000 0.299 246 V C -0.606 175.543 176.094 0.091 0.000 1.040 246 V CA -0.813 61.602 62.300 0.192 0.000 0.913 246 V CB 2.064 34.048 31.823 0.269 0.000 0.992 246 V HN 0.181 nan 8.190 nan 0.000 0.449 247 V N 5.800 125.753 119.914 0.065 0.000 2.444 247 V HA 0.473 4.597 4.120 0.006 0.000 0.294 247 V C -0.028 176.080 176.094 0.024 0.000 1.022 247 V CA -0.376 61.925 62.300 0.001 0.000 0.850 247 V CB 1.516 33.316 31.823 -0.037 0.000 0.992 247 V HN 0.842 nan 8.190 nan 0.000 0.426 248 I N 3.928 124.507 120.570 0.014 0.000 2.322 248 I HA 0.238 4.412 4.170 0.006 0.000 0.292 248 I C 0.748 176.830 176.117 -0.058 0.000 1.060 248 I CA 0.300 61.587 61.300 -0.022 0.000 1.309 248 I CB 1.119 39.087 38.000 -0.052 0.000 1.415 248 I HN 0.561 nan 8.210 nan 0.000 0.492 249 S N 4.398 120.010 115.700 -0.147 0.000 2.585 249 S HA 0.064 4.538 4.470 0.006 0.000 0.273 249 S C 0.179 174.451 174.600 -0.547 0.000 1.339 249 S CA -0.420 57.556 58.200 -0.373 0.000 1.028 249 S CB 0.192 63.075 63.200 -0.528 0.000 0.906 249 S HN 0.872 nan 8.310 nan 0.000 0.528 250 H N -0.479 118.424 119.070 -0.280 0.000 2.000 250 H HA -0.229 4.330 4.556 0.006 0.000 0.321 250 H C -0.223 174.957 175.328 -0.246 0.000 0.878 250 H CA 0.774 56.646 56.048 -0.293 0.000 1.061 250 H CB -2.344 27.269 29.762 -0.247 0.000 1.579 250 H HN 0.668 nan 8.280 nan 0.000 0.316 251 H N 2.127 121.125 119.070 -0.121 0.000 2.972 251 H HA 0.377 4.935 4.556 0.004 0.000 0.343 251 H C 0.750 175.979 175.328 -0.166 0.000 1.054 251 H CA 0.699 56.678 56.048 -0.116 0.000 1.412 251 H CB 0.550 30.253 29.762 -0.098 0.000 1.385 251 H HN 0.885 nan 8.280 nan 0.000 0.600 252 K N 1.560 121.528 120.400 -0.719 0.000 2.711 252 K HA 0.482 4.805 4.320 0.006 0.000 0.294 252 K C -1.976 174.339 176.600 -0.476 0.000 1.037 252 K CA -0.765 55.189 56.287 -0.555 0.000 0.858 252 K CB 0.857 33.152 32.500 -0.342 0.000 1.521 252 K HN 0.353 nan 8.250 nan 0.000 0.386 253 V N -0.936 118.812 119.914 -0.278 0.000 2.407 253 V HA 0.616 4.739 4.120 0.006 0.000 0.291 253 V C -0.210 175.879 176.094 -0.009 0.000 1.018 253 V CA -0.806 61.418 62.300 -0.127 0.000 0.842 253 V CB 0.805 32.589 31.823 -0.065 0.000 0.996 253 V HN 0.887 nan 8.190 nan 0.000 0.426 254 M N 3.124 122.719 119.600 -0.008 0.000 2.472 254 M HA 1.012 5.496 4.480 0.006 0.000 0.331 254 M C 0.237 176.564 176.300 0.046 0.000 1.170 254 M CA 0.135 55.469 55.300 0.057 0.000 1.009 254 M CB 1.802 34.386 32.600 -0.027 0.000 1.672 254 M HN 1.686 nan 8.290 nan 0.000 0.453 255 G N 1.917 110.759 108.800 0.070 0.000 2.895 255 G HA2 -0.152 3.811 3.960 0.006 0.000 0.686 255 G HA3 -0.152 3.811 3.960 0.006 0.000 0.686 255 G C -0.238 174.328 174.900 -0.556 0.000 1.108 255 G CA -0.262 44.754 45.100 -0.139 0.000 0.761 255 G HN 1.002 nan 8.290 nan 0.000 0.611 256 K N 0.722 120.616 120.400 -0.843 0.000 2.113 256 K HA -0.082 4.242 4.320 0.006 0.000 0.208 256 K C 2.489 178.671 176.600 -0.696 0.000 1.047 256 K CA 1.699 57.209 56.287 -1.294 0.000 0.928 256 K CB -0.136 31.968 32.500 -0.661 0.000 0.716 256 K HN 0.515 nan 8.250 nan 0.000 0.446 257 L N 1.168 122.164 121.223 -0.378 0.000 2.633 257 L HA -0.113 4.231 4.340 0.006 0.000 0.235 257 L C 1.043 177.820 176.870 -0.154 0.000 1.163 257 L CA 0.565 55.276 54.840 -0.214 0.000 0.859 257 L CB -0.194 41.772 42.059 -0.155 0.000 0.973 257 L HN 0.255 nan 8.230 nan 0.000 0.451 258 N N -1.393 117.210 118.700 -0.161 0.000 2.159 258 N HA 0.095 4.838 4.740 0.006 0.000 0.217 258 N C 0.061 175.654 175.510 0.138 0.000 1.223 258 N CA -0.142 52.894 53.050 -0.023 0.000 0.896 258 N CB 0.678 39.152 38.487 -0.022 0.000 1.064 258 N HN 0.024 nan 8.380 nan 0.000 0.518 259 F N 1.536 121.463 119.950 -0.039 0.000 2.602 259 F HA 0.209 4.740 4.527 0.007 0.000 0.367 259 F C 1.961 177.742 175.800 -0.032 0.000 1.126 259 F CA 0.784 58.764 58.000 -0.034 0.000 1.321 259 F CB -0.140 38.849 39.000 -0.018 0.000 1.094 259 F HN 0.301 nan 8.300 nan 0.000 0.594 260 G N 2.939 111.824 108.800 0.142 0.000 2.253 260 G HA2 -0.367 3.597 3.960 0.006 0.000 0.251 260 G HA3 -0.367 3.597 3.960 0.006 0.000 0.251 260 G C 1.390 176.310 174.900 0.033 0.000 0.998 260 G CA 0.248 45.385 45.100 0.062 0.000 0.621 260 G HN 0.605 nan 8.290 nan 0.000 0.524 261 R N 1.183 121.706 120.500 0.038 0.000 2.339 261 R HA 0.132 4.475 4.340 0.006 0.000 0.199 261 R C 2.685 178.983 176.300 -0.004 0.000 1.018 261 R CA 1.111 57.219 56.100 0.013 0.000 1.036 261 R CB -0.152 30.154 30.300 0.009 0.000 0.899 261 R HN 0.644 nan 8.270 nan 0.000 0.473 262 S N 0.805 116.490 115.700 -0.024 0.000 2.419 262 S HA -0.145 4.329 4.470 0.006 0.000 0.233 262 S C 1.648 176.229 174.600 -0.032 0.000 1.016 262 S CA 0.773 58.949 58.200 -0.040 0.000 0.974 262 S CB 0.014 63.167 63.200 -0.077 0.000 0.786 262 S HN 0.274 nan 8.310 nan 0.000 0.492 263 K N 1.265 121.652 120.400 -0.022 0.000 2.026 263 K HA -0.136 4.188 4.320 0.006 0.000 0.208 263 K C 2.448 179.036 176.600 -0.020 0.000 1.048 263 K CA 1.651 57.926 56.287 -0.020 0.000 0.929 263 K CB -0.215 32.283 32.500 -0.004 0.000 0.713 263 K HN 0.647 nan 8.250 nan 0.000 0.439 264 E N 0.486 120.683 120.200 -0.006 0.000 2.072 264 E HA -0.177 4.177 4.350 0.006 0.000 0.191 264 E C 1.879 178.483 176.600 0.007 0.000 0.985 264 E CA 1.833 58.235 56.400 0.003 0.000 0.801 264 E CB 0.027 29.733 29.700 0.010 0.000 0.750 264 E HN 0.394 nan 8.360 nan 0.000 0.452 265 T N -0.421 114.145 114.554 0.019 0.000 2.777 265 T HA -0.100 4.254 4.350 0.006 0.000 0.266 265 T C 2.105 176.774 174.700 -0.052 0.000 1.040 265 T CA 1.056 63.183 62.100 0.045 0.000 1.141 265 T CB -0.467 68.519 68.868 0.196 0.000 0.868 265 T HN 0.155 nan 8.240 nan 0.000 0.444 266 L N 0.856 121.993 121.223 -0.143 0.000 2.201 266 L HA 0.098 4.442 4.340 0.006 0.000 0.212 266 L C 3.280 179.998 176.870 -0.253 0.000 1.105 266 L CA 0.990 55.574 54.840 -0.428 0.000 0.775 266 L CB -0.701 40.997 42.059 -0.603 0.000 0.913 266 L HN 0.402 nan 8.230 nan 0.000 0.440 267 A N 0.158 122.921 122.820 -0.095 0.000 1.897 267 A HA -0.104 4.220 4.320 0.006 0.000 0.215 267 A C 2.242 179.826 177.584 0.000 0.000 1.181 267 A CA 1.052 53.078 52.037 -0.019 0.000 0.620 267 A CB -0.500 18.501 19.000 0.001 0.000 0.821 267 A HN 0.314 nan 8.150 nan 0.000 0.443 268 L N -0.626 120.608 121.223 0.019 0.000 2.017 268 L HA -0.187 4.157 4.340 0.006 0.000 0.208 268 L C 2.488 179.397 176.870 0.066 0.000 1.073 268 L CA 1.379 56.267 54.840 0.078 0.000 0.745 268 L CB -0.494 41.667 42.059 0.171 0.000 0.894 268 L HN 0.364 nan 8.230 nan 0.000 0.432 269 I N -0.471 120.150 120.570 0.086 0.000 2.226 269 I HA -0.295 3.879 4.170 0.006 0.000 0.245 269 I C 2.619 178.762 176.117 0.043 0.000 1.100 269 I CA 1.272 62.635 61.300 0.106 0.000 1.374 269 I CB -0.221 37.784 38.000 0.010 0.000 1.057 269 I HN 0.310 nan 8.210 nan 0.000 0.413 270 E N 0.912 121.169 120.200 0.095 0.000 2.058 270 E HA -0.273 4.081 4.350 0.006 0.000 0.194 270 E C 2.291 178.910 176.600 0.032 0.000 0.997 270 E CA 1.420 57.925 56.400 0.174 0.000 0.801 270 E CB -0.057 29.776 29.700 0.221 0.000 0.746 270 E HN 0.506 nan 8.360 nan 0.000 0.450 271 A N 1.105 123.911 122.820 -0.024 0.000 1.902 271 A HA -0.136 4.188 4.320 0.006 0.000 0.217 271 A C 2.373 179.860 177.584 -0.163 0.000 1.181 271 A CA 1.858 53.852 52.037 -0.072 0.000 0.623 271 A CB -0.755 18.207 19.000 -0.064 0.000 0.818 271 A HN 0.396 nan 8.150 nan 0.000 0.443 272 A N -0.548 122.080 122.820 -0.320 0.000 1.933 272 A HA -0.148 4.176 4.320 0.006 0.000 0.218 272 A C 2.217 179.628 177.584 -0.288 0.000 1.175 272 A CA 1.836 53.553 52.037 -0.533 0.000 0.628 272 A CB -0.578 17.601 19.000 -1.368 0.000 0.814 272 A HN 0.543 nan 8.150 nan 0.000 0.444 273 M N -0.535 118.969 119.600 -0.160 0.000 2.279 273 M HA -0.145 4.338 4.480 0.006 0.000 0.264 273 M C 2.328 178.593 176.300 -0.058 0.000 1.062 273 M CA 1.195 56.454 55.300 -0.068 0.000 1.099 273 M CB -0.325 32.277 32.600 0.004 0.000 1.394 273 M HN 0.488 nan 8.290 nan 0.000 0.426 274 A N -0.201 122.581 122.820 -0.064 0.000 2.067 274 A HA -0.096 4.228 4.320 0.006 0.000 0.219 274 A C 2.183 179.735 177.584 -0.054 0.000 1.158 274 A CA 1.843 53.852 52.037 -0.047 0.000 0.661 274 A CB -0.412 18.564 19.000 -0.040 0.000 0.801 274 A HN 0.565 nan 8.150 nan 0.000 0.452 275 S N -2.002 113.650 115.700 -0.080 0.000 2.559 275 S HA 0.268 4.742 4.470 0.006 0.000 0.226 275 S C 0.385 174.946 174.600 -0.067 0.000 1.030 275 S CA 0.093 58.251 58.200 -0.069 0.000 0.956 275 S CB -0.095 63.059 63.200 -0.076 0.000 0.900 275 S HN 0.789 nan 8.310 nan 0.000 0.510 276 Q N -0.058 119.694 119.800 -0.080 0.000 2.626 276 Q HA 0.461 4.805 4.340 0.006 0.000 0.300 276 Q C -2.161 173.814 176.000 -0.042 0.000 0.988 276 Q CA -0.875 54.894 55.803 -0.057 0.000 0.761 276 Q CB 0.634 29.336 28.738 -0.060 0.000 1.494 276 Q HN -0.047 nan 8.270 nan 0.000 0.439 277 D N 1.293 121.683 120.400 -0.017 0.000 2.374 277 D HA 0.361 5.005 4.640 0.006 0.000 0.240 277 D C -1.248 175.061 176.300 0.015 0.000 1.229 277 D CA 0.067 54.063 54.000 -0.007 0.000 0.895 277 D CB 0.825 41.622 40.800 -0.005 0.000 1.046 277 D HN 0.376 nan 8.370 nan 0.000 0.498 278 V N 2.488 122.411 119.914 0.015 0.000 2.656 278 V HA 0.521 4.645 4.120 0.006 0.000 0.307 278 V C 0.069 176.183 176.094 0.034 0.000 1.051 278 V CA -0.709 61.626 62.300 0.057 0.000 0.893 278 V CB 2.159 34.038 31.823 0.094 0.000 0.999 278 V HN 0.449 nan 8.190 nan 0.000 0.426 279 S N 4.138 119.850 115.700 0.021 0.000 2.632 279 S HA 0.929 5.403 4.470 0.006 0.000 0.289 279 S C -0.919 173.690 174.600 0.015 0.000 1.115 279 S CA -0.722 57.469 58.200 -0.014 0.000 0.889 279 S CB 2.237 65.365 63.200 -0.120 0.000 1.116 279 S HN 0.876 nan 8.310 nan 0.000 0.486 280 L N -0.235 121.002 121.223 0.024 0.000 2.671 280 L HA 0.954 5.298 4.340 0.006 0.000 0.259 280 L C -2.211 174.689 176.870 0.050 0.000 1.021 280 L CA -1.036 53.826 54.840 0.036 0.000 0.871 280 L CB 2.165 44.247 42.059 0.039 0.000 1.472 280 L HN 0.712 nan 8.230 nan 0.000 0.410 281 D N 0.587 121.016 120.400 0.049 0.000 2.579 281 D HA 0.920 5.564 4.640 0.006 0.000 0.257 281 D C -0.968 175.334 176.300 0.004 0.000 1.176 281 D CA -0.288 53.740 54.000 0.048 0.000 0.914 281 D CB 2.155 43.018 40.800 0.106 0.000 1.431 281 D HN 1.093 nan 8.370 nan 0.000 0.454 282 A N -0.672 122.133 122.820 -0.026 0.000 2.601 282 A HA 0.627 4.951 4.320 0.006 0.000 0.291 282 A C -1.893 175.637 177.584 -0.088 0.000 1.075 282 A CA -1.197 50.762 52.037 -0.129 0.000 0.671 282 A CB 0.766 19.668 19.000 -0.165 0.000 1.277 282 A HN 0.787 nan 8.150 nan 0.000 0.417 283 Y N -0.569 119.706 120.300 -0.041 0.000 2.457 283 Y HA 0.774 5.329 4.550 0.008 0.000 0.333 283 Y C -2.283 173.622 175.900 0.009 0.000 1.119 283 Y CA -3.220 54.868 58.100 -0.020 0.000 1.143 283 Y CB 0.871 39.336 38.460 0.009 0.000 1.230 283 Y HN 0.356 nan 8.280 nan 0.000 0.469 284 P HA 0.178 nan 4.420 nan 0.000 0.220 284 P C -1.675 175.522 177.300 -0.172 0.000 1.778 284 P CA 0.419 63.444 63.100 -0.125 0.000 0.912 284 P CB -0.704 30.869 31.700 -0.212 0.000 1.861 285 Y N -1.594 118.872 120.300 0.277 0.000 2.588 285 Y HA 0.196 4.751 4.550 0.008 0.000 0.343 285 Y C 1.374 177.439 175.900 0.275 0.000 1.065 285 Y CA -1.101 57.208 58.100 0.348 0.000 1.038 285 Y CB 1.570 40.320 38.460 0.484 0.000 1.297 285 Y HN -0.234 nan 8.280 nan 0.000 0.467 286 V N -1.548 118.615 119.914 0.415 0.000 3.649 286 V HA 0.650 4.774 4.120 0.006 0.000 0.275 286 V C 0.373 176.568 176.094 0.169 0.000 1.281 286 V CA 0.525 62.962 62.300 0.229 0.000 1.143 286 V CB -0.670 31.265 31.823 0.187 0.000 0.892 286 V HN 0.635 nan 8.190 nan 0.000 0.441 287 A N -0.097 122.837 122.820 0.190 0.000 2.365 287 A HA 0.909 5.233 4.320 0.006 0.000 0.318 287 A C 0.247 177.980 177.584 0.249 0.000 1.091 287 A CA 0.030 52.002 52.037 -0.110 0.000 0.763 287 A CB 1.337 19.684 19.000 -1.089 0.000 1.248 287 A HN 0.634 nan 8.150 nan 0.000 0.442 288 G N -0.440 108.465 108.800 0.174 0.000 2.613 288 G HA2 0.621 4.585 3.960 0.006 0.000 0.303 288 G HA3 0.621 4.585 3.960 0.006 0.000 0.303 288 G C -0.403 174.618 174.900 0.202 0.000 1.312 288 G CA -0.133 45.078 45.100 0.184 0.000 1.036 288 G HN 1.435 nan 8.290 nan 0.000 0.513 289 S N -1.978 113.819 115.700 0.163 0.000 2.570 289 S HA 0.619 5.093 4.470 0.006 0.000 0.286 289 S C -0.664 174.070 174.600 0.223 0.000 1.143 289 S CA 0.216 58.528 58.200 0.186 0.000 0.921 289 S CB 1.462 64.728 63.200 0.109 0.000 1.108 289 S HN 1.239 nan 8.310 nan 0.000 0.456 290 T N 2.934 117.674 114.554 0.309 0.000 2.663 290 T HA 0.449 4.803 4.350 0.006 0.000 0.302 290 T C -0.809 174.053 174.700 0.270 0.000 1.523 290 T CA -0.197 62.090 62.100 0.311 0.000 1.011 290 T CB 0.205 69.358 68.868 0.475 0.000 1.841 290 T HN 1.010 nan 8.240 nan 0.000 0.462 291 M N 1.834 121.579 119.600 0.243 0.000 2.252 291 M HA 0.454 4.937 4.480 0.006 0.000 0.321 291 M C -0.138 176.256 176.300 0.158 0.000 1.070 291 M CA -0.302 55.078 55.300 0.134 0.000 1.143 291 M CB -0.099 32.568 32.600 0.111 0.000 1.498 291 M HN 0.487 nan 8.290 nan 0.000 0.445 292 L N 2.890 124.098 121.223 -0.024 0.000 2.410 292 L HA 0.376 4.720 4.340 0.006 0.000 0.273 292 L C -0.421 176.497 176.870 0.080 0.000 1.152 292 L CA 0.897 55.756 54.840 0.032 0.000 0.855 292 L CB 0.265 42.243 42.059 -0.134 0.000 1.129 292 L HN 0.860 nan 8.230 nan 0.000 0.463 293 K N 3.702 124.190 120.400 0.147 0.000 2.498 293 K HA 0.309 4.633 4.320 0.006 0.000 0.254 293 K C -1.016 175.557 176.600 -0.046 0.000 0.933 293 K CA -0.657 55.649 56.287 0.032 0.000 0.806 293 K CB 1.531 34.060 32.500 0.049 0.000 1.301 293 K HN 0.635 nan 8.250 nan 0.000 0.432 294 Q N 2.705 122.408 119.800 -0.161 0.000 2.513 294 Q HA 0.025 4.369 4.340 0.006 0.000 0.227 294 Q C -1.219 174.676 176.000 -0.175 0.000 1.257 294 Q CA 0.386 55.964 55.803 -0.375 0.000 0.915 294 Q CB 0.336 28.723 28.738 -0.587 0.000 1.507 294 Q HN 0.330 nan 8.270 nan 0.000 0.543 295 D N 1.930 122.333 120.400 0.005 0.000 2.686 295 D HA 0.123 4.767 4.640 0.006 0.000 0.249 295 D C 0.668 177.109 176.300 0.235 0.000 1.260 295 D CA -0.448 53.629 54.000 0.128 0.000 0.910 295 D CB 0.946 41.766 40.800 0.033 0.000 1.323 295 D HN 0.290 nan 8.370 nan 0.000 0.561 296 R N 2.042 122.711 120.500 0.282 0.000 2.117 296 R HA -0.088 4.256 4.340 0.006 0.000 0.243 296 R C 1.698 178.045 176.300 0.078 0.000 1.143 296 R CA 1.096 57.283 56.100 0.146 0.000 0.968 296 R CB -0.435 29.863 30.300 -0.004 0.000 0.863 296 R HN 0.352 nan 8.270 nan 0.000 0.444 297 V N 1.304 121.251 119.914 0.056 0.000 2.346 297 V HA -0.138 3.985 4.120 0.006 0.000 0.244 297 V C 2.559 178.657 176.094 0.006 0.000 1.037 297 V CA 1.177 63.488 62.300 0.018 0.000 1.029 297 V CB -0.499 31.330 31.823 0.009 0.000 0.663 297 V HN 0.168 nan 8.190 nan 0.000 0.454 298 L N -0.316 120.877 121.223 -0.049 0.000 2.079 298 L HA -0.174 4.170 4.340 0.006 0.000 0.210 298 L C 2.073 178.957 176.870 0.024 0.000 1.081 298 L CA 1.563 56.270 54.840 -0.222 0.000 0.752 298 L CB -0.377 41.280 42.059 -0.670 0.000 0.896 298 L HN 0.323 nan 8.230 nan 0.000 0.433 299 L N -0.956 120.332 121.223 0.108 0.000 2.612 299 L HA 0.074 4.418 4.340 0.006 0.000 0.230 299 L C 2.386 179.343 176.870 0.144 0.000 1.140 299 L CA -0.057 54.901 54.840 0.196 0.000 0.896 299 L CB -0.450 41.732 42.059 0.205 0.000 1.065 299 L HN 0.143 nan 8.230 nan 0.000 0.447 300 A N 0.362 123.245 122.820 0.105 0.000 1.872 300 A HA 0.155 4.479 4.320 0.006 0.000 0.214 300 A C 1.534 179.163 177.584 0.075 0.000 1.187 300 A CA 1.324 53.400 52.037 0.066 0.000 0.614 300 A CB -0.506 18.508 19.000 0.023 0.000 0.826 300 A HN 0.385 nan 8.150 nan 0.000 0.442 301 G N -1.377 107.491 108.800 0.114 0.000 2.702 301 G HA2 0.453 4.417 3.960 0.006 0.000 0.254 301 G HA3 0.453 4.417 3.960 0.006 0.000 0.254 301 G C -0.127 174.847 174.900 0.124 0.000 1.380 301 G CA -0.797 44.371 45.100 0.113 0.000 1.042 301 G HN 0.474 nan 8.290 nan 0.000 0.557 302 R N -0.483 120.069 120.500 0.087 0.000 2.537 302 R HA 0.218 4.562 4.340 0.006 0.000 0.281 302 R C -0.888 175.522 176.300 0.184 0.000 0.988 302 R CA 0.741 56.862 56.100 0.035 0.000 1.077 302 R CB -0.207 29.965 30.300 -0.213 0.000 0.932 302 R HN 0.352 nan 8.270 nan 0.000 0.409 303 T N 5.792 120.401 114.554 0.093 0.000 2.921 303 T HA 0.405 4.758 4.350 0.006 0.000 0.297 303 T C -0.701 173.978 174.700 -0.035 0.000 1.013 303 T CA -0.662 61.464 62.100 0.044 0.000 0.990 303 T CB 1.169 70.070 68.868 0.055 0.000 1.023 303 T HN 0.407 nan 8.240 nan 0.000 0.447 304 L N 3.076 124.248 121.223 -0.085 0.000 2.346 304 L HA 0.613 4.957 4.340 0.006 0.000 0.274 304 L C -0.527 176.258 176.870 -0.141 0.000 1.007 304 L CA -1.391 53.402 54.840 -0.077 0.000 0.818 304 L CB 1.600 43.648 42.059 -0.018 0.000 1.284 304 L HN 0.402 nan 8.230 nan 0.000 0.424 305 I N 1.509 122.016 120.570 -0.106 0.000 2.371 305 I HA 0.087 4.261 4.170 0.006 0.000 0.290 305 I C 1.401 177.474 176.117 -0.073 0.000 1.028 305 I CA 0.088 61.310 61.300 -0.130 0.000 1.345 305 I CB 1.348 39.291 38.000 -0.095 0.000 1.407 305 I HN 0.755 nan 8.210 nan 0.000 0.501 306 T N 3.246 117.742 114.554 -0.096 0.000 3.051 306 T HA 0.090 4.444 4.350 0.006 0.000 0.255 306 T C 0.162 175.002 174.700 0.232 0.000 1.085 306 T CA 0.046 62.185 62.100 0.065 0.000 1.109 306 T CB 0.357 69.302 68.868 0.129 0.000 0.921 306 T HN 0.667 nan 8.240 nan 0.000 0.488 307 W N -1.066 120.249 121.300 0.024 0.000 3.064 307 W HA 0.576 5.239 4.660 0.006 0.000 0.328 307 W C -2.267 174.276 176.519 0.040 0.000 1.210 307 W CA -1.906 55.461 57.345 0.037 0.000 1.178 307 W CB 0.728 30.215 29.460 0.046 0.000 1.416 307 W HN 0.044 nan 8.180 nan 0.000 0.568 308 C N 3.187 122.672 119.300 0.309 0.000 2.817 308 C HA 0.309 4.773 4.460 0.006 0.000 0.385 308 C C 1.257 176.407 174.990 0.266 0.000 1.050 308 C CA -0.353 58.746 59.018 0.136 0.000 1.245 308 C CB 1.254 29.036 27.740 0.070 0.000 1.706 308 C HN 0.914 nan 8.230 nan 0.000 0.488 309 K N 4.317 124.891 120.400 0.291 0.000 1.985 309 K HA -0.008 4.316 4.320 0.006 0.000 0.210 309 K C -0.596 176.025 176.600 0.035 0.000 1.047 309 K CA 2.078 58.486 56.287 0.201 0.000 0.932 309 K CB -0.340 32.284 32.500 0.208 0.000 0.716 309 K HN 0.729 nan 8.250 nan 0.000 0.439 310 P HA -0.137 nan 4.420 nan 0.000 0.220 310 P C -0.425 176.502 177.300 -0.623 0.000 1.148 310 P CA 1.343 64.220 63.100 -0.372 0.000 0.803 310 P CB 0.129 31.556 31.700 -0.455 0.000 0.782 311 Y N -1.541 118.783 120.300 0.041 0.000 2.592 311 Y HA 0.346 4.900 4.550 0.006 0.000 0.354 311 Y C -1.861 174.067 175.900 0.047 0.000 1.063 311 Y CA -2.254 55.866 58.100 0.033 0.000 1.205 311 Y CB 0.944 39.413 38.460 0.015 0.000 1.106 311 Y HN -0.079 nan 8.280 nan 0.000 0.649 312 P HA -0.215 nan 4.420 nan 0.000 0.219 312 P C 1.377 178.752 177.300 0.126 0.000 1.146 312 P CA 1.520 64.703 63.100 0.139 0.000 0.808 312 P CB 0.398 32.161 31.700 0.105 0.000 0.779 313 E N 0.164 120.438 120.200 0.123 0.000 2.516 313 E HA -0.093 4.260 4.350 0.006 0.000 0.199 313 E C 1.439 178.085 176.600 0.076 0.000 1.069 313 E CA 0.648 57.102 56.400 0.091 0.000 0.876 313 E CB -1.085 28.664 29.700 0.081 0.000 0.843 313 E HN 0.332 nan 8.360 nan 0.000 0.530 314 L N 0.896 122.173 121.223 0.090 0.000 2.554 314 L HA 0.089 4.433 4.340 0.006 0.000 0.226 314 L C 0.778 177.672 176.870 0.041 0.000 1.137 314 L CA -0.124 54.746 54.840 0.050 0.000 0.863 314 L CB -0.112 41.974 42.059 0.044 0.000 0.985 314 L HN -0.113 nan 8.230 nan 0.000 0.451 315 S N 0.462 116.204 115.700 0.071 0.000 2.544 315 S HA 0.264 4.737 4.470 0.006 0.000 0.290 315 S C 1.211 175.841 174.600 0.050 0.000 1.276 315 S CA 0.768 59.013 58.200 0.075 0.000 1.075 315 S CB 0.734 64.004 63.200 0.118 0.000 0.849 315 S HN 0.621 nan 8.310 nan 0.000 0.494 316 G N 3.508 112.328 108.800 0.035 0.000 2.217 316 G HA2 -0.226 3.738 3.960 0.006 0.000 0.246 316 G HA3 -0.226 3.738 3.960 0.006 0.000 0.246 316 G C 0.143 175.043 174.900 0.001 0.000 0.990 316 G CA -0.270 44.844 45.100 0.023 0.000 0.627 316 G HN 0.631 nan 8.290 nan 0.000 0.522 317 R N 1.044 121.541 120.500 -0.006 0.000 2.615 317 R HA 0.365 4.709 4.340 0.006 0.000 0.270 317 R C -0.259 176.020 176.300 -0.035 0.000 1.081 317 R CA -0.301 55.787 56.100 -0.020 0.000 1.154 317 R CB 0.594 30.882 30.300 -0.020 0.000 1.063 317 R HN 0.341 nan 8.270 nan 0.000 0.519 318 D N 2.073 122.450 120.400 -0.040 0.000 2.351 318 D HA -0.039 4.604 4.640 0.006 0.000 0.251 318 D C 0.843 177.117 176.300 -0.043 0.000 1.137 318 D CA -0.227 53.745 54.000 -0.047 0.000 0.879 318 D CB 1.258 42.026 40.800 -0.054 0.000 1.181 318 D HN 0.230 nan 8.370 nan 0.000 0.448 319 L N 4.745 125.943 121.223 -0.041 0.000 2.093 319 L HA -0.132 4.212 4.340 0.006 0.000 0.208 319 L C 2.140 178.997 176.870 -0.022 0.000 1.085 319 L CA 1.717 56.536 54.840 -0.034 0.000 0.755 319 L CB -0.598 41.446 42.059 -0.027 0.000 0.904 319 L HN 0.530 nan 8.230 nan 0.000 0.435 320 E N 0.108 120.298 120.200 -0.017 0.000 2.058 320 E HA -0.297 4.057 4.350 0.006 0.000 0.194 320 E C 2.138 178.725 176.600 -0.022 0.000 0.997 320 E CA 1.926 58.318 56.400 -0.012 0.000 0.801 320 E CB -0.253 29.438 29.700 -0.015 0.000 0.746 320 E HN 0.620 nan 8.360 nan 0.000 0.450 321 E N -0.351 119.831 120.200 -0.030 0.000 2.051 321 E HA -0.173 4.181 4.350 0.006 0.000 0.192 321 E C 2.188 178.766 176.600 -0.037 0.000 0.991 321 E CA 1.488 57.869 56.400 -0.032 0.000 0.799 321 E CB -0.199 29.480 29.700 -0.035 0.000 0.748 321 E HN 0.383 nan 8.360 nan 0.000 0.449 322 I N 0.768 121.312 120.570 -0.043 0.000 2.226 322 I HA -0.280 3.894 4.170 0.006 0.000 0.245 322 I C 2.555 178.639 176.117 -0.055 0.000 1.100 322 I CA 1.056 62.322 61.300 -0.057 0.000 1.374 322 I CB -0.343 37.617 38.000 -0.067 0.000 1.057 322 I HN 0.171 nan 8.210 nan 0.000 0.413 323 A N 0.775 123.572 122.820 -0.037 0.000 1.877 323 A HA -0.155 4.169 4.320 0.006 0.000 0.216 323 A C 2.569 180.140 177.584 -0.023 0.000 1.186 323 A CA 1.867 53.889 52.037 -0.026 0.000 0.620 323 A CB -0.939 18.059 19.000 -0.004 0.000 0.822 323 A HN 0.420 nan 8.150 nan 0.000 0.443 324 A N -0.092 122.716 122.820 -0.020 0.000 1.865 324 A HA -0.226 4.098 4.320 0.006 0.000 0.217 324 A C 1.891 179.461 177.584 -0.024 0.000 1.191 324 A CA 1.815 53.841 52.037 -0.018 0.000 0.623 324 A CB -0.686 18.303 19.000 -0.018 0.000 0.826 324 A HN 0.632 nan 8.150 nan 0.000 0.444 325 E N -0.911 119.271 120.200 -0.031 0.000 2.265 325 E HA -0.124 4.230 4.350 0.006 0.000 0.196 325 E C 1.833 178.408 176.600 -0.041 0.000 0.996 325 E CA 0.716 57.094 56.400 -0.035 0.000 0.832 325 E CB -0.078 29.598 29.700 -0.041 0.000 0.756 325 E HN 0.495 nan 8.360 nan 0.000 0.491 326 R N -0.598 119.875 120.500 -0.046 0.000 2.359 326 R HA 0.092 4.436 4.340 0.006 0.000 0.231 326 R C 0.695 176.977 176.300 -0.029 0.000 0.913 326 R CA 0.419 56.490 56.100 -0.049 0.000 1.075 326 R CB 0.706 30.965 30.300 -0.069 0.000 1.087 326 R HN 0.170 nan 8.270 nan 0.000 0.515 327 G N 1.870 110.657 108.800 -0.021 0.000 2.221 327 G HA2 -0.319 3.645 3.960 0.006 0.000 0.265 327 G HA3 -0.319 3.645 3.960 0.006 0.000 0.265 327 G C -0.286 174.611 174.900 -0.004 0.000 1.041 327 G CA 0.588 45.681 45.100 -0.012 0.000 0.807 327 G HN 0.297 nan 8.290 nan 0.000 0.502 328 K N -0.706 119.693 120.400 -0.002 0.000 2.469 328 K HA 0.691 5.015 4.320 0.006 0.000 0.268 328 K C 0.409 177.022 176.600 0.021 0.000 1.027 328 K CA -0.318 55.977 56.287 0.013 0.000 0.893 328 K CB 1.425 33.934 32.500 0.016 0.000 1.460 328 K HN 0.385 nan 8.250 nan 0.000 0.449 329 S N 0.007 115.733 115.700 0.043 0.000 2.614 329 S HA 0.176 4.650 4.470 0.006 0.000 0.265 329 S C 0.810 175.455 174.600 0.075 0.000 1.303 329 S CA -0.525 57.711 58.200 0.059 0.000 1.000 329 S CB 1.121 64.370 63.200 0.082 0.000 0.935 329 S HN 0.580 nan 8.310 nan 0.000 0.551 330 K N -0.081 120.367 120.400 0.081 0.000 2.063 330 K HA -0.177 4.147 4.320 0.006 0.000 0.208 330 K C 1.820 178.481 176.600 0.102 0.000 1.048 330 K CA 1.814 58.148 56.287 0.077 0.000 0.928 330 K CB -0.529 32.024 32.500 0.088 0.000 0.713 330 K HN 0.711 nan 8.250 nan 0.000 0.442 331 Y N 2.529 122.841 120.300 0.021 0.000 2.114 331 Y HA -0.294 4.260 4.550 0.006 0.000 0.282 331 Y C 1.751 177.659 175.900 0.012 0.000 1.165 331 Y CA 1.850 59.962 58.100 0.020 0.000 1.148 331 Y CB -0.095 38.373 38.460 0.013 0.000 0.972 331 Y HN 0.104 nan 8.280 nan 0.000 0.504 332 D N -1.020 119.501 120.400 0.201 0.000 2.224 332 D HA -0.140 4.504 4.640 0.006 0.000 0.205 332 D C 2.177 178.485 176.300 0.014 0.000 0.965 332 D CA 1.045 55.108 54.000 0.105 0.000 0.852 332 D CB -0.293 40.579 40.800 0.120 0.000 0.947 332 D HN 0.347 nan 8.370 nan 0.000 0.494 333 V N 0.290 120.209 119.914 0.007 0.000 3.041 333 V HA -0.110 4.013 4.120 0.006 0.000 0.260 333 V C 2.224 178.297 176.094 -0.035 0.000 1.105 333 V CA 0.555 62.845 62.300 -0.017 0.000 1.125 333 V CB 0.074 31.885 31.823 -0.020 0.000 0.730 333 V HN -0.035 nan 8.190 nan 0.000 0.479 334 V N 1.244 121.122 119.914 -0.061 0.000 2.282 334 V HA -0.178 3.946 4.120 0.006 0.000 0.249 334 V C 0.179 176.236 176.094 -0.062 0.000 1.057 334 V CA 2.885 65.140 62.300 -0.075 0.000 1.032 334 V CB -1.652 30.098 31.823 -0.123 0.000 0.645 334 V HN 0.531 nan 8.190 nan 0.000 0.447 335 P HA -0.206 nan 4.420 nan 0.000 0.216 335 P C 1.525 178.826 177.300 0.001 0.000 1.153 335 P CA 1.726 64.802 63.100 -0.041 0.000 0.858 335 P CB -0.154 31.520 31.700 -0.043 0.000 0.789 336 E N -0.291 119.921 120.200 0.021 0.000 2.478 336 E HA -0.065 4.289 4.350 0.006 0.000 0.198 336 E C 1.381 178.076 176.600 0.158 0.000 1.046 336 E CA 0.624 57.071 56.400 0.080 0.000 0.870 336 E CB -0.744 28.999 29.700 0.072 0.000 0.818 336 E HN 0.287 nan 8.360 nan 0.000 0.527 337 L N 0.441 121.719 121.223 0.091 0.000 2.616 337 L HA 0.172 4.516 4.340 0.006 0.000 0.229 337 L C 0.973 177.874 176.870 0.052 0.000 1.110 337 L CA -0.184 54.732 54.840 0.126 0.000 0.884 337 L CB 0.111 42.190 42.059 0.032 0.000 1.115 337 L HN 0.056 nan 8.230 nan 0.000 0.481 338 Q N 1.962 121.769 119.800 0.011 0.000 2.354 338 Q HA 0.210 4.553 4.340 0.006 0.000 0.244 338 Q C -2.093 173.914 176.000 0.012 0.000 0.969 338 Q CA -1.687 54.104 55.803 -0.021 0.000 0.885 338 Q CB 0.660 29.381 28.738 -0.027 0.000 1.241 338 Q HN -0.026 nan 8.270 nan 0.000 0.461 339 P HA 0.373 nan 4.420 nan 0.000 0.282 339 P C -1.523 175.692 177.300 -0.142 0.000 1.249 339 P CA -0.159 62.951 63.100 0.018 0.000 0.806 339 P CB 1.432 33.228 31.700 0.160 0.000 0.984 340 A N 1.441 123.936 122.820 -0.541 0.000 2.581 340 A HA 0.812 5.136 4.320 0.006 0.000 0.290 340 A C -0.746 175.942 177.584 -1.493 0.000 1.119 340 A CA -0.380 50.947 52.037 -1.183 0.000 0.670 340 A CB 1.267 19.952 19.000 -0.525 0.000 1.280 340 A HN 0.619 nan 8.150 nan 0.000 0.425 341 G N -1.362 106.385 108.800 -1.755 0.000 2.498 341 G HA2 0.893 4.857 3.960 0.006 0.000 0.312 341 G HA3 0.893 4.857 3.960 0.006 0.000 0.312 341 G C -0.541 174.054 174.900 -0.507 0.000 1.230 341 G CA 0.038 44.569 45.100 -0.950 0.000 0.968 341 G HN 2.050 nan 8.290 nan 0.000 0.481 342 A N -0.060 122.562 122.820 -0.330 0.000 2.602 342 A HA 0.793 5.117 4.320 0.006 0.000 0.290 342 A C -1.425 175.872 177.584 -0.478 0.000 1.114 342 A CA -0.603 51.162 52.037 -0.453 0.000 0.683 342 A CB 1.138 19.715 19.000 -0.705 0.000 1.281 342 A HN 0.683 nan 8.150 nan 0.000 0.416 343 I N 0.739 121.027 120.570 -0.470 0.000 2.433 343 I HA 0.430 4.604 4.170 0.006 0.000 0.292 343 I C -1.576 174.298 176.117 -0.405 0.000 1.001 343 I CA -0.421 60.697 61.300 -0.304 0.000 1.119 343 I CB 1.631 39.531 38.000 -0.167 0.000 1.289 343 I HN 0.619 nan 8.210 nan 0.000 0.438 344 Y N 5.574 125.836 120.300 -0.063 0.000 2.328 344 Y HA 0.379 4.932 4.550 0.006 0.000 0.333 344 Y C -0.457 175.390 175.900 -0.088 0.000 0.958 344 Y CA -0.698 57.401 58.100 -0.002 0.000 1.167 344 Y CB 0.976 39.464 38.460 0.046 0.000 1.151 344 Y HN 0.332 nan 8.280 nan 0.000 0.470 345 F N 5.186 125.207 119.950 0.118 0.000 2.567 345 F HA 0.179 4.709 4.527 0.005 0.000 0.352 345 F C 0.313 176.196 175.800 0.139 0.000 1.229 345 F CA -0.657 57.386 58.000 0.070 0.000 1.228 345 F CB 0.256 39.233 39.000 -0.038 0.000 1.568 345 F HN 0.479 nan 8.300 nan 0.000 0.634 346 M N 0.268 120.020 119.600 0.252 0.000 2.603 346 M HA 0.455 4.938 4.480 0.006 0.000 0.380 346 M C -0.756 175.739 176.300 0.324 0.000 1.158 346 M CA 0.061 55.527 55.300 0.276 0.000 0.921 346 M CB 0.098 32.804 32.600 0.176 0.000 1.417 346 M HN 0.157 nan 8.290 nan 0.000 0.523 347 M N -0.228 119.487 119.600 0.192 0.000 2.690 347 M HA 0.591 5.075 4.480 0.006 0.000 0.302 347 M C -1.294 174.774 176.300 -0.386 0.000 1.234 347 M CA -0.602 54.684 55.300 -0.024 0.000 0.853 347 M CB 2.284 34.861 32.600 -0.038 0.000 1.748 347 M HN 0.044 nan 8.290 nan 0.000 0.469 348 D N 0.269 120.197 120.400 -0.786 0.000 2.278 348 D HA 0.191 4.834 4.640 0.006 0.000 0.245 348 D C 0.458 176.559 176.300 -0.330 0.000 1.052 348 D CA -0.123 53.402 54.000 -0.793 0.000 0.834 348 D CB 1.685 41.642 40.800 -1.405 0.000 1.194 348 D HN 0.624 nan 8.370 nan 0.000 0.481 349 E N 3.503 123.605 120.200 -0.164 0.000 2.114 349 E HA -0.163 4.191 4.350 0.006 0.000 0.199 349 E C -1.157 175.409 176.600 -0.057 0.000 1.008 349 E CA 1.977 58.349 56.400 -0.046 0.000 0.810 349 E CB -0.601 29.111 29.700 0.021 0.000 0.739 349 E HN 0.425 nan 8.360 nan 0.000 0.456 350 P HA -0.107 nan 4.420 nan 0.000 0.216 350 P C 0.646 177.899 177.300 -0.078 0.000 1.150 350 P CA 1.674 64.736 63.100 -0.062 0.000 0.837 350 P CB -0.007 31.658 31.700 -0.057 0.000 0.786 351 D N -0.930 119.395 120.400 -0.124 0.000 2.117 351 D HA -0.084 4.560 4.640 0.006 0.000 0.198 351 D C 2.026 178.250 176.300 -0.127 0.000 0.982 351 D CA 1.036 54.962 54.000 -0.123 0.000 0.828 351 D CB -0.510 40.195 40.800 -0.157 0.000 0.967 351 D HN -0.021 nan 8.370 nan 0.000 0.464 352 V N 1.200 121.032 119.914 -0.136 0.000 2.343 352 V HA -0.251 3.872 4.120 0.006 0.000 0.247 352 V C 2.542 178.550 176.094 -0.144 0.000 1.051 352 V CA 1.573 63.786 62.300 -0.144 0.000 1.036 352 V CB -0.510 31.250 31.823 -0.105 0.000 0.654 352 V HN 0.178 nan 8.190 nan 0.000 0.451 353 Q N -0.505 119.233 119.800 -0.104 0.000 2.084 353 Q HA -0.233 4.111 4.340 0.006 0.000 0.202 353 Q C 2.515 178.473 176.000 -0.069 0.000 0.978 353 Q CA 1.816 57.552 55.803 -0.111 0.000 0.844 353 Q CB -0.224 28.497 28.738 -0.029 0.000 0.898 353 Q HN 0.537 nan 8.270 nan 0.000 0.426 354 R N 0.653 121.129 120.500 -0.040 0.000 2.083 354 R HA -0.154 4.190 4.340 0.006 0.000 0.237 354 R C 2.155 178.482 176.300 0.045 0.000 1.137 354 R CA 1.375 57.478 56.100 0.004 0.000 0.951 354 R CB -0.228 30.064 30.300 -0.014 0.000 0.851 354 R HN 0.230 nan 8.270 nan 0.000 0.434 355 I N 0.803 121.373 120.570 -0.000 0.000 2.179 355 I HA -0.323 3.851 4.170 0.006 0.000 0.242 355 I C 2.272 178.456 176.117 0.113 0.000 1.088 355 I CA 1.264 62.592 61.300 0.046 0.000 1.357 355 I CB -0.280 37.702 38.000 -0.029 0.000 1.051 355 I HN 0.250 nan 8.210 nan 0.000 0.409 356 L N 0.558 121.795 121.223 0.023 0.000 2.012 356 L HA -0.216 4.127 4.340 0.006 0.000 0.210 356 L C 2.805 179.826 176.870 0.251 0.000 1.073 356 L CA 1.501 56.382 54.840 0.068 0.000 0.748 356 L CB -0.695 41.313 42.059 -0.085 0.000 0.891 356 L HN 0.249 nan 8.230 nan 0.000 0.431 357 A N -0.381 122.568 122.820 0.215 0.000 2.015 357 A HA -0.176 4.148 4.320 0.006 0.000 0.219 357 A C 1.034 178.793 177.584 0.292 0.000 1.163 357 A CA 0.053 52.259 52.037 0.282 0.000 0.646 357 A CB -0.671 18.394 19.000 0.109 0.000 0.806 357 A HN 0.274 nan 8.150 nan 0.000 0.448 358 F N 1.873 121.886 119.950 0.106 0.000 2.580 358 F HA 0.268 4.794 4.527 -0.001 0.000 0.398 358 F C 1.494 177.368 175.800 0.124 0.000 1.023 358 F CA -0.101 57.955 58.000 0.093 0.000 1.188 358 F CB -0.108 38.933 39.000 0.069 0.000 1.005 358 F HN 0.173 nan 8.300 nan 0.000 0.546 359 G N 6.342 114.944 108.800 -0.331 0.000 2.833 359 G HA2 -0.321 3.643 3.960 0.006 0.000 0.226 359 G HA3 -0.321 3.643 3.960 0.006 0.000 0.226 359 G C -0.899 173.946 174.900 -0.092 0.000 1.228 359 G CA 1.025 45.998 45.100 -0.212 0.000 0.779 359 G HN 0.631 nan 8.290 nan 0.000 0.651 360 P HA 0.116 nan 4.420 nan 0.000 0.239 360 P C 0.416 177.658 177.300 -0.097 0.000 1.184 360 P CA 0.592 63.596 63.100 -0.161 0.000 0.760 360 P CB -0.111 31.478 31.700 -0.184 0.000 0.884 361 T N 1.772 116.330 114.554 0.007 0.000 2.784 361 T HA 0.151 4.504 4.350 0.006 0.000 0.291 361 T C 0.616 175.289 174.700 -0.045 0.000 0.942 361 T CA 0.351 62.493 62.100 0.070 0.000 1.161 361 T CB -0.218 68.756 68.868 0.178 0.000 0.885 361 T HN -0.012 nan 8.240 nan 0.000 0.534 362 M N 3.350 122.919 119.600 -0.052 0.000 2.283 362 M HA 0.417 4.901 4.480 0.006 0.000 0.314 362 M C 0.014 176.305 176.300 -0.014 0.000 1.153 362 M CA -0.861 54.398 55.300 -0.068 0.000 1.084 362 M CB 0.634 33.232 32.600 -0.004 0.000 1.468 362 M HN 0.257 nan 8.290 nan 0.000 0.474 363 I N 1.293 121.863 120.570 0.001 0.000 2.331 363 I HA 0.526 4.700 4.170 0.006 0.000 0.292 363 I C 0.418 176.587 176.117 0.086 0.000 0.998 363 I CA -0.234 61.050 61.300 -0.026 0.000 1.267 363 I CB 0.441 38.364 38.000 -0.127 0.000 1.386 363 I HN 0.761 nan 8.210 nan 0.000 0.476 364 G N 2.843 111.666 108.800 0.038 0.000 2.719 364 G HA2 0.413 4.376 3.960 0.006 0.000 0.298 364 G HA3 0.413 4.376 3.960 0.006 0.000 0.298 364 G C 0.393 175.358 174.900 0.109 0.000 1.433 364 G CA -0.110 45.091 45.100 0.168 0.000 1.034 364 G HN 0.605 nan 8.290 nan 0.000 0.517 365 S N 1.457 117.229 115.700 0.119 0.000 2.395 365 S HA 0.267 4.741 4.470 0.006 0.000 0.225 365 S C 1.988 176.573 174.600 -0.025 0.000 1.027 365 S CA 1.437 59.649 58.200 0.020 0.000 0.965 365 S CB -0.147 63.084 63.200 0.052 0.000 0.812 365 S HN 2.501 nan 8.310 nan 0.000 0.482 366 A N 0.585 123.489 122.820 0.139 0.000 2.860 366 A HA 0.009 4.333 4.320 0.006 0.000 0.267 366 A C 0.821 178.426 177.584 0.035 0.000 1.421 366 A CA 0.729 52.900 52.037 0.224 0.000 0.831 366 A CB -2.509 16.552 19.000 0.102 0.000 1.041 366 A HN 1.469 nan 8.150 nan 0.000 0.623 367 G N -0.946 107.834 108.800 -0.033 0.000 2.441 367 G HA2 0.474 4.438 3.960 0.006 0.000 0.243 367 G HA3 0.474 4.438 3.960 0.006 0.000 0.243 367 G C -0.026 174.862 174.900 -0.020 0.000 1.281 367 G CA -0.110 44.930 45.100 -0.100 0.000 0.854 367 G HN 0.896 nan 8.290 nan 0.000 0.560 368 L N 4.394 125.593 121.223 -0.040 0.000 2.356 368 L HA 0.254 4.598 4.340 0.006 0.000 0.264 368 L C -1.306 175.494 176.870 -0.118 0.000 1.029 368 L CA -1.696 53.144 54.840 -0.001 0.000 0.897 368 L CB 2.303 44.406 42.059 0.074 0.000 1.256 368 L HN 0.470 nan 8.230 nan 0.000 0.444 369 P HA -0.141 nan 4.420 nan 0.000 0.225 369 P C 0.798 177.773 177.300 -0.540 0.000 1.148 369 P CA 1.321 64.019 63.100 -0.670 0.000 0.779 369 P CB 0.191 31.075 31.700 -1.360 0.000 0.780 370 H N -1.474 117.551 119.070 -0.075 0.000 2.548 370 H HA 0.127 4.686 4.556 0.006 0.000 0.265 370 H C 0.199 175.480 175.328 -0.077 0.000 0.969 370 H CA -0.201 55.832 56.048 -0.025 0.000 1.155 370 H CB -0.425 29.309 29.762 -0.047 0.000 1.394 370 H HN 0.094 nan 8.280 nan 0.000 0.570 371 D N 0.972 121.395 120.400 0.038 0.000 2.458 371 D HA -0.064 4.580 4.640 0.006 0.000 0.243 371 D C 1.509 177.883 176.300 0.124 0.000 1.146 371 D CA 0.189 54.260 54.000 0.118 0.000 0.877 371 D CB 1.025 41.962 40.800 0.228 0.000 1.176 371 D HN 0.297 nan 8.370 nan 0.000 0.461 372 E N 2.373 122.670 120.200 0.161 0.000 2.038 372 E HA -0.170 4.184 4.350 0.006 0.000 0.195 372 E C 0.004 176.682 176.600 0.129 0.000 1.000 372 E CA 1.402 57.886 56.400 0.141 0.000 0.803 372 E CB 0.345 30.149 29.700 0.173 0.000 0.750 372 E HN 0.147 nan 8.360 nan 0.000 0.448 373 R N 1.201 121.792 120.500 0.152 0.000 2.477 373 R HA 0.334 4.677 4.340 0.006 0.000 0.285 373 R C -2.378 173.995 176.300 0.121 0.000 1.415 373 R CA -2.234 53.933 56.100 0.111 0.000 1.446 373 R CB 0.828 31.185 30.300 0.094 0.000 1.110 373 R HN 0.293 nan 8.270 nan 0.000 0.590 374 P HA -0.006 nan 4.420 nan 0.000 0.272 374 P C -0.288 177.078 177.300 0.110 0.000 1.240 374 P CA -0.262 62.912 63.100 0.123 0.000 0.791 374 P CB 0.751 32.524 31.700 0.122 0.000 0.978 375 H N 3.177 122.233 119.070 -0.022 0.000 2.764 375 H HA 0.082 4.641 4.556 0.006 0.000 0.341 375 H C -1.349 173.839 175.328 -0.233 0.000 1.072 375 H CA -1.741 54.242 56.048 -0.107 0.000 1.444 375 H CB 0.625 30.279 29.762 -0.180 0.000 1.458 375 H HN 0.240 nan 8.280 nan 0.000 0.572 376 P HA -0.183 nan 4.420 nan 0.000 0.223 376 P C 1.121 178.344 177.300 -0.128 0.000 1.144 376 P CA 0.981 63.981 63.100 -0.166 0.000 0.783 376 P CB 0.028 31.494 31.700 -0.391 0.000 0.771 377 R N 0.105 120.390 120.500 -0.357 0.000 2.170 377 R HA -0.132 4.212 4.340 0.006 0.000 0.242 377 R C 2.136 178.350 176.300 -0.144 0.000 1.145 377 R CA 1.095 56.906 56.100 -0.482 0.000 0.984 377 R CB -1.693 28.053 30.300 -0.923 0.000 0.869 377 R HN 0.159 nan 8.270 nan 0.000 0.455 378 L N -0.159 121.004 121.223 -0.099 0.000 2.127 378 L HA -0.078 4.266 4.340 0.006 0.000 0.211 378 L C 0.922 177.704 176.870 -0.146 0.000 1.089 378 L CA 1.606 56.381 54.840 -0.109 0.000 0.757 378 L CB -0.232 41.792 42.059 -0.058 0.000 0.899 378 L HN 0.259 nan 8.230 nan 0.000 0.434 379 W N -2.243 119.021 121.300 -0.060 0.000 2.868 379 W HA 0.440 5.103 4.660 0.006 0.000 0.320 379 W C 1.895 178.431 176.519 0.029 0.000 1.076 379 W CA 0.274 57.603 57.345 -0.026 0.000 1.576 379 W CB 0.114 29.552 29.460 -0.037 0.000 1.030 379 W HN 0.080 nan 8.180 nan 0.000 0.558 380 G N -1.096 107.861 108.800 0.261 0.000 3.274 380 G HA2 0.028 3.992 3.960 0.006 0.000 0.250 380 G HA3 0.028 3.992 3.960 0.006 0.000 0.250 380 G C 1.204 176.230 174.900 0.210 0.000 1.024 380 G CA 0.565 45.810 45.100 0.241 0.000 0.840 380 G HN -0.065 nan 8.290 nan 0.000 0.522 381 T N 1.488 116.144 114.554 0.169 0.000 2.570 381 T HA -0.208 4.146 4.350 0.006 0.000 0.266 381 T C 1.932 176.449 174.700 -0.306 0.000 1.071 381 T CA 1.725 63.791 62.100 -0.056 0.000 1.172 381 T CB -0.366 68.299 68.868 -0.339 0.000 0.864 381 T HN 0.238 nan 8.240 nan 0.000 0.421 382 F N 1.031 120.983 119.950 0.004 0.000 2.113 382 F HA 0.069 4.600 4.527 0.007 0.000 0.297 382 F C -0.506 175.200 175.800 -0.156 0.000 1.103 382 F CA 0.597 58.513 58.000 -0.141 0.000 1.248 382 F CB -1.739 37.151 39.000 -0.184 0.000 0.999 382 F HN 0.217 nan 8.300 nan 0.000 0.475 383 P HA -0.124 nan 4.420 nan 0.000 0.221 383 P C 1.414 178.741 177.300 0.045 0.000 1.150 383 P CA 1.305 64.427 63.100 0.037 0.000 0.800 383 P CB -0.097 31.660 31.700 0.096 0.000 0.787 384 R N -0.193 120.336 120.500 0.050 0.000 2.115 384 R HA -0.082 4.262 4.340 0.006 0.000 0.230 384 R C 1.713 178.132 176.300 0.198 0.000 1.111 384 R CA 1.226 57.371 56.100 0.076 0.000 0.976 384 R CB -0.636 29.652 30.300 -0.021 0.000 0.870 384 R HN 0.024 nan 8.270 nan 0.000 0.445 385 V N 0.921 120.909 119.914 0.123 0.000 2.379 385 V HA -0.183 3.941 4.120 0.006 0.000 0.245 385 V C 2.229 178.452 176.094 0.215 0.000 1.044 385 V CA 1.407 63.831 62.300 0.208 0.000 1.036 385 V CB -0.241 31.582 31.823 0.000 0.000 0.664 385 V HN 0.319 nan 8.190 nan 0.000 0.453 386 L N -0.109 121.142 121.223 0.047 0.000 2.093 386 L HA 0.010 4.353 4.340 0.006 0.000 0.208 386 L C 2.353 179.288 176.870 0.109 0.000 1.085 386 L CA 1.687 56.542 54.840 0.024 0.000 0.755 386 L CB -0.856 41.084 42.059 -0.198 0.000 0.904 386 L HN 0.466 nan 8.230 nan 0.000 0.435 387 G N -1.659 107.202 108.800 0.103 0.000 2.724 387 G HA2 -0.178 3.786 3.960 0.006 0.000 0.217 387 G HA3 -0.178 3.786 3.960 0.006 0.000 0.217 387 G C 1.249 176.204 174.900 0.092 0.000 1.251 387 G CA 0.464 45.630 45.100 0.111 0.000 0.867 387 G HN 0.263 nan 8.290 nan 0.000 0.590 388 H N -0.169 118.881 119.070 -0.033 0.000 2.265 388 H HA -0.132 4.430 4.556 0.009 0.000 0.295 388 H C 2.304 177.498 175.328 -0.223 0.000 1.084 388 H CA 2.182 58.128 56.048 -0.171 0.000 1.261 388 H CB -0.438 29.136 29.762 -0.312 0.000 1.360 388 H HN 0.368 nan 8.280 nan 0.000 0.487 389 Y N -0.569 119.655 120.300 -0.125 0.000 2.153 389 Y HA -0.130 4.422 4.550 0.003 0.000 0.289 389 Y C 3.293 179.076 175.900 -0.195 0.000 1.127 389 Y CA 1.518 59.477 58.100 -0.234 0.000 1.131 389 Y CB -0.841 37.569 38.460 -0.083 0.000 0.995 389 Y HN 0.274 nan 8.280 nan 0.000 0.505 390 S N -0.205 115.633 115.700 0.232 0.000 2.329 390 S HA -0.166 4.307 4.470 0.006 0.000 0.215 390 S C 2.297 176.959 174.600 0.103 0.000 1.031 390 S CA 1.285 59.637 58.200 0.253 0.000 0.985 390 S CB -0.274 63.179 63.200 0.422 0.000 0.917 390 S HN 0.378 nan 8.310 nan 0.000 0.441 391 R N 0.371 120.930 120.500 0.099 0.000 2.061 391 R HA -0.076 4.268 4.340 0.006 0.000 0.230 391 R C 1.707 178.007 176.300 0.001 0.000 1.140 391 R CA 2.023 58.163 56.100 0.065 0.000 0.940 391 R CB -0.562 29.794 30.300 0.093 0.000 0.839 391 R HN 0.415 nan 8.270 nan 0.000 0.429 392 D N 0.374 120.746 120.400 -0.047 0.000 2.149 392 D HA -0.090 4.553 4.640 0.006 0.000 0.201 392 D C 1.830 178.036 176.300 -0.155 0.000 0.972 392 D CA 1.051 54.997 54.000 -0.090 0.000 0.835 392 D CB 0.087 40.835 40.800 -0.086 0.000 0.966 392 D HN 0.308 nan 8.370 nan 0.000 0.476 393 L N -0.478 120.596 121.223 -0.250 0.000 2.616 393 L HA 0.242 4.586 4.340 0.006 0.000 0.229 393 L C 1.084 177.860 176.870 -0.157 0.000 1.110 393 L CA 0.128 54.827 54.840 -0.235 0.000 0.884 393 L CB 0.137 41.983 42.059 -0.354 0.000 1.115 393 L HN 0.025 nan 8.230 nan 0.000 0.481 394 G N 1.448 110.174 108.800 -0.122 0.000 2.323 394 G HA2 -0.309 3.655 3.960 0.006 0.000 0.292 394 G HA3 -0.309 3.655 3.960 0.006 0.000 0.292 394 G C 0.687 175.486 174.900 -0.167 0.000 1.040 394 G CA 0.551 45.599 45.100 -0.087 0.000 0.942 394 G HN 0.289 nan 8.290 nan 0.000 0.506 395 L N -0.867 120.140 121.223 -0.359 0.000 2.291 395 L HA 0.451 4.795 4.340 0.006 0.000 0.214 395 L C 0.787 177.257 176.870 -0.667 0.000 1.120 395 L CA 1.661 56.130 54.840 -0.619 0.000 0.799 395 L CB -0.218 41.275 42.059 -0.942 0.000 0.925 395 L HN 0.654 nan 8.230 nan 0.000 0.446 396 F N -3.645 116.331 119.950 0.043 0.000 2.744 396 F HA 0.572 5.103 4.527 0.007 0.000 0.311 396 F C -2.849 172.978 175.800 0.045 0.000 1.144 396 F CA -3.018 55.006 58.000 0.041 0.000 0.938 396 F CB -0.502 38.529 39.000 0.052 0.000 1.292 396 F HN -0.358 nan 8.300 nan 0.000 0.444 397 P HA 0.120 nan 4.420 nan 0.000 0.272 397 P C 0.824 178.253 177.300 0.214 0.000 1.230 397 P CA -0.285 62.933 63.100 0.197 0.000 0.788 397 P CB 1.466 33.234 31.700 0.113 0.000 0.949 398 L N 2.022 123.356 121.223 0.186 0.000 2.081 398 L HA -0.227 4.117 4.340 0.006 0.000 0.212 398 L C 2.376 179.340 176.870 0.156 0.000 1.080 398 L CA 2.051 57.006 54.840 0.191 0.000 0.754 398 L CB -1.194 40.993 42.059 0.213 0.000 0.893 398 L HN 0.488 nan 8.230 nan 0.000 0.433 399 E N -2.112 118.162 120.200 0.123 0.000 2.150 399 E HA -0.190 4.164 4.350 0.006 0.000 0.193 399 E C 1.770 178.429 176.600 0.100 0.000 0.985 399 E CA 1.763 58.227 56.400 0.108 0.000 0.814 399 E CB -0.900 28.835 29.700 0.058 0.000 0.752 399 E HN 0.486 nan 8.360 nan 0.000 0.466 400 T N 1.193 115.782 114.554 0.059 0.000 2.896 400 T HA 0.131 4.485 4.350 0.006 0.000 0.263 400 T C 1.998 176.669 174.700 -0.048 0.000 1.050 400 T CA 1.294 63.420 62.100 0.043 0.000 1.140 400 T CB -0.158 68.722 68.868 0.020 0.000 0.877 400 T HN 0.402 nan 8.240 nan 0.000 0.457 401 A N 1.036 123.724 122.820 -0.219 0.000 1.933 401 A HA -0.024 4.300 4.320 0.006 0.000 0.218 401 A C 2.522 180.007 177.584 -0.165 0.000 1.175 401 A CA 1.169 52.939 52.037 -0.445 0.000 0.628 401 A CB -0.925 17.917 19.000 -0.262 0.000 0.814 401 A HN 0.347 nan 8.150 nan 0.000 0.444 402 V N -1.977 117.947 119.914 0.015 0.000 2.307 402 V HA -0.245 3.879 4.120 0.006 0.000 0.245 402 V C 2.186 178.372 176.094 0.153 0.000 1.045 402 V CA 1.814 64.176 62.300 0.104 0.000 1.024 402 V CB -1.000 30.972 31.823 0.249 0.000 0.651 402 V HN 0.889 nan 8.190 nan 0.000 0.449 403 W N 1.657 122.945 121.300 -0.020 0.000 2.321 403 W HA -0.249 4.415 4.660 0.006 0.000 0.306 403 W C 2.300 178.806 176.519 -0.023 0.000 1.217 403 W CA 1.968 59.307 57.345 -0.009 0.000 1.257 403 W CB -0.219 29.222 29.460 -0.031 0.000 1.145 403 W HN 0.103 nan 8.180 nan 0.000 0.509 404 K N -0.202 120.143 120.400 -0.092 0.000 2.442 404 K HA -0.135 4.188 4.320 0.006 0.000 0.198 404 K C 1.657 178.138 176.600 -0.198 0.000 1.044 404 K CA 1.552 57.650 56.287 -0.316 0.000 0.948 404 K CB -0.381 31.977 32.500 -0.236 0.000 0.762 404 K HN 0.448 nan 8.250 nan 0.000 0.472 405 M N -2.581 116.964 119.600 -0.091 0.000 2.347 405 M HA 0.189 4.673 4.480 0.006 0.000 0.324 405 M C 0.759 177.110 176.300 0.084 0.000 1.028 405 M CA -0.091 55.227 55.300 0.030 0.000 0.988 405 M CB 0.770 33.395 32.600 0.042 0.000 1.528 405 M HN -0.069 nan 8.290 nan 0.000 0.550 406 T N -3.253 111.326 114.554 0.042 0.000 3.349 406 T HA 0.385 4.739 4.350 0.006 0.000 0.169 406 T C 1.736 176.459 174.700 0.038 0.000 0.938 406 T CA 0.692 62.853 62.100 0.102 0.000 1.017 406 T CB -0.797 68.192 68.868 0.202 0.000 1.476 406 T HN 0.187 nan 8.240 nan 0.000 0.327 407 G N 1.775 110.606 108.800 0.053 0.000 2.446 407 G HA2 -0.095 3.869 3.960 0.006 0.000 0.217 407 G HA3 -0.095 3.869 3.960 0.006 0.000 0.217 407 G C 1.535 176.368 174.900 -0.111 0.000 1.168 407 G CA 1.325 46.469 45.100 0.075 0.000 0.771 407 G HN 0.479 nan 8.290 nan 0.000 0.551 408 L N 0.958 121.830 121.223 -0.585 0.000 1.994 408 L HA -0.038 4.306 4.340 0.006 0.000 0.208 408 L C 2.920 179.620 176.870 -0.283 0.000 1.071 408 L CA 2.882 57.301 54.840 -0.701 0.000 0.745 408 L CB -1.147 40.040 42.059 -1.453 0.000 0.892 408 L HN 0.207 nan 8.230 nan 0.000 0.431 409 T N 0.145 114.587 114.554 -0.187 0.000 2.720 409 T HA -0.171 4.182 4.350 0.006 0.000 0.268 409 T C 1.917 176.704 174.700 0.144 0.000 1.037 409 T CA 1.442 63.568 62.100 0.044 0.000 1.144 409 T CB -0.688 68.231 68.868 0.086 0.000 0.864 409 T HN 0.546 nan 8.240 nan 0.000 0.444 410 A N 1.444 124.316 122.820 0.087 0.000 1.902 410 A HA 0.147 4.471 4.320 0.006 0.000 0.217 410 A C 2.650 180.297 177.584 0.105 0.000 1.181 410 A CA 1.847 53.955 52.037 0.118 0.000 0.623 410 A CB -1.094 17.979 19.000 0.122 0.000 0.818 410 A HN 0.518 nan 8.150 nan 0.000 0.443 411 A N -0.291 122.567 122.820 0.063 0.000 1.873 411 A HA -0.121 4.203 4.320 0.006 0.000 0.215 411 A C 2.045 179.629 177.584 -0.000 0.000 1.186 411 A CA 1.765 53.830 52.037 0.045 0.000 0.616 411 A CB -0.336 18.692 19.000 0.046 0.000 0.823 411 A HN 0.325 nan 8.150 nan 0.000 0.442 412 K N -0.902 119.460 120.400 -0.063 0.000 2.148 412 K HA -0.023 4.301 4.320 0.006 0.000 0.204 412 K C 1.076 177.489 176.600 -0.312 0.000 1.050 412 K CA 1.026 57.188 56.287 -0.208 0.000 0.942 412 K CB -0.501 31.801 32.500 -0.330 0.000 0.724 412 K HN 0.562 nan 8.250 nan 0.000 0.446 413 F N 0.119 120.067 119.950 -0.003 0.000 2.727 413 F HA 0.224 4.755 4.527 0.006 0.000 0.302 413 F C 1.066 176.871 175.800 0.008 0.000 1.097 413 F CA 0.226 58.227 58.000 0.002 0.000 1.330 413 F CB 0.129 39.126 39.000 -0.005 0.000 1.084 413 F HN 0.157 nan 8.300 nan 0.000 0.578 414 G N 1.657 110.532 108.800 0.125 0.000 2.272 414 G HA2 -0.292 3.672 3.960 0.006 0.000 0.280 414 G HA3 -0.292 3.672 3.960 0.006 0.000 0.280 414 G C -0.078 174.875 174.900 0.089 0.000 1.067 414 G CA -0.231 44.922 45.100 0.087 0.000 0.902 414 G HN 0.321 nan 8.290 nan 0.000 0.500 415 L N 0.597 121.879 121.223 0.098 0.000 2.352 415 L HA 0.589 4.932 4.340 0.006 0.000 0.272 415 L C 1.220 178.115 176.870 0.043 0.000 1.109 415 L CA -0.316 54.563 54.840 0.065 0.000 0.952 415 L CB 0.607 42.704 42.059 0.063 0.000 1.314 415 L HN 0.428 nan 8.230 nan 0.000 0.427 416 A N 2.540 125.372 122.820 0.021 0.000 2.540 416 A HA 0.132 4.456 4.320 0.006 0.000 0.239 416 A C 1.033 178.557 177.584 -0.100 0.000 1.061 416 A CA 0.168 52.185 52.037 -0.034 0.000 0.758 416 A CB -0.100 18.885 19.000 -0.025 0.000 0.991 416 A HN 0.919 nan 8.150 nan 0.000 0.502 417 E N -0.580 119.374 120.200 -0.409 0.000 2.971 417 E HA -0.226 4.128 4.350 0.006 0.000 0.278 417 E C -0.029 176.391 176.600 -0.300 0.000 1.009 417 E CA 1.361 57.221 56.400 -0.900 0.000 0.862 417 E CB -1.203 28.180 29.700 -0.529 0.000 1.436 417 E HN 0.772 nan 8.360 nan 0.000 0.434 418 R N -1.343 119.168 120.500 0.018 0.000 2.867 418 R HA 0.563 4.907 4.340 0.006 0.000 0.268 418 R C 0.898 177.365 176.300 0.279 0.000 1.014 418 R CA -0.238 55.992 56.100 0.218 0.000 0.946 418 R CB 1.670 32.044 30.300 0.123 0.000 1.208 418 R HN 0.127 nan 8.270 nan 0.000 0.477 419 G N 0.387 109.330 108.800 0.238 0.000 2.176 419 G HA2 -0.271 3.692 3.960 0.006 0.000 0.253 419 G HA3 -0.271 3.692 3.960 0.006 0.000 0.253 419 G C -0.188 174.834 174.900 0.204 0.000 0.979 419 G CA -0.016 45.204 45.100 0.200 0.000 0.641 419 G HN 0.431 nan 8.290 nan 0.000 0.530 420 Q N -0.924 119.007 119.800 0.220 0.000 2.345 420 Q HA 0.539 4.882 4.340 0.006 0.000 0.275 420 Q C -0.581 175.387 176.000 -0.053 0.000 1.063 420 Q CA -0.905 54.916 55.803 0.030 0.000 0.819 420 Q CB 2.999 31.624 28.738 -0.188 0.000 1.356 420 Q HN 0.163 nan 8.270 nan 0.000 0.418 421 V N 3.440 123.317 119.914 -0.063 0.000 2.222 421 V HA 0.157 4.281 4.120 0.006 0.000 0.253 421 V C -0.390 175.602 176.094 -0.170 0.000 1.210 421 V CA -0.042 62.215 62.300 -0.072 0.000 1.079 421 V CB -0.030 31.777 31.823 -0.028 0.000 1.265 421 V HN 0.550 nan 8.190 nan 0.000 0.494 422 Q N 3.990 123.618 119.800 -0.287 0.000 2.375 422 Q HA 0.480 4.824 4.340 0.006 0.000 0.271 422 Q C -2.780 173.106 176.000 -0.189 0.000 1.074 422 Q CA -2.431 53.164 55.803 -0.347 0.000 0.808 422 Q CB 2.608 30.892 28.738 -0.758 0.000 1.327 422 Q HN 0.238 nan 8.270 nan 0.000 0.441 423 P HA 0.099 nan 4.420 nan 0.000 0.265 423 P C 0.690 177.989 177.300 -0.002 0.000 1.193 423 P CA 1.106 64.158 63.100 -0.079 0.000 0.765 423 P CB 0.500 32.158 31.700 -0.070 0.000 0.823 424 G N 1.136 109.933 108.800 -0.006 0.000 2.258 424 G HA2 -0.254 3.710 3.960 0.006 0.000 0.233 424 G HA3 -0.254 3.710 3.960 0.006 0.000 0.233 424 G C -0.064 174.858 174.900 0.038 0.000 1.006 424 G CA -0.405 44.704 45.100 0.014 0.000 0.620 424 G HN 0.384 nan 8.290 nan 0.000 0.511 425 Y N 0.428 120.642 120.300 -0.144 0.000 2.299 425 Y HA 0.609 5.163 4.550 0.006 0.000 0.335 425 Y C 1.138 176.946 175.900 -0.153 0.000 1.287 425 Y CA -1.368 56.652 58.100 -0.134 0.000 1.424 425 Y CB 0.030 38.474 38.460 -0.026 0.000 1.326 425 Y HN 0.194 nan 8.280 nan 0.000 0.567 426 Y N -0.165 120.189 120.300 0.089 0.000 2.480 426 Y HA 0.264 4.817 4.550 0.006 0.000 0.338 426 Y C 0.701 176.640 175.900 0.065 0.000 1.220 426 Y CA -0.169 57.958 58.100 0.046 0.000 1.430 426 Y CB 0.438 38.908 38.460 0.016 0.000 1.311 426 Y HN 0.612 nan 8.280 nan 0.000 0.575 427 A N 2.791 125.741 122.820 0.217 0.000 3.074 427 A HA 0.141 4.465 4.320 0.006 0.000 0.251 427 A C -0.676 177.005 177.584 0.162 0.000 1.695 427 A CA -0.515 51.601 52.037 0.132 0.000 1.343 427 A CB -1.158 17.880 19.000 0.063 0.000 1.078 427 A HN 0.581 nan 8.150 nan 0.000 0.644 428 D N 1.040 121.533 120.400 0.156 0.000 2.339 428 D HA 0.548 5.191 4.640 0.006 0.000 0.241 428 D C -0.233 176.129 176.300 0.103 0.000 1.183 428 D CA 0.569 54.639 54.000 0.116 0.000 0.859 428 D CB 1.095 41.935 40.800 0.068 0.000 1.067 428 D HN 0.362 nan 8.370 nan 0.000 0.484 429 L N 1.113 122.419 121.223 0.139 0.000 2.376 429 L HA 0.630 4.974 4.340 0.006 0.000 0.258 429 L C -0.642 176.310 176.870 0.137 0.000 1.013 429 L CA -1.145 53.773 54.840 0.129 0.000 0.822 429 L CB 2.331 44.473 42.059 0.139 0.000 1.388 429 L HN -0.047 nan 8.230 nan 0.000 0.413 430 V N 1.409 121.369 119.914 0.076 0.000 2.735 430 V HA 0.542 4.666 4.120 0.006 0.000 0.310 430 V C -0.642 175.592 176.094 0.234 0.000 1.061 430 V CA -0.728 61.622 62.300 0.084 0.000 0.913 430 V CB 2.492 34.194 31.823 -0.201 0.000 1.005 430 V HN 0.410 nan 8.190 nan 0.000 0.428 431 V N 5.340 125.433 119.914 0.298 0.000 2.350 431 V HA 0.609 4.733 4.120 0.006 0.000 0.285 431 V C -0.613 175.684 176.094 0.339 0.000 1.014 431 V CA -0.391 62.050 62.300 0.235 0.000 0.831 431 V CB 0.859 32.832 31.823 0.250 0.000 1.000 431 V HN 0.785 nan 8.190 nan 0.000 0.433 432 F N 1.372 121.427 119.950 0.174 0.000 2.603 432 F HA 0.753 5.283 4.527 0.005 0.000 0.317 432 F C -0.570 175.324 175.800 0.156 0.000 1.066 432 F CA -1.270 56.850 58.000 0.199 0.000 0.941 432 F CB 1.545 40.691 39.000 0.243 0.000 1.291 432 F HN 0.348 nan 8.300 nan 0.000 0.472 433 D N 3.831 124.452 120.400 0.367 0.000 2.359 433 D HA 0.276 4.920 4.640 0.006 0.000 0.230 433 D C -1.637 174.866 176.300 0.339 0.000 1.118 433 D CA -2.554 51.576 54.000 0.217 0.000 0.844 433 D CB 1.756 42.671 40.800 0.192 0.000 1.059 433 D HN 0.332 nan 8.370 nan 0.000 0.493 434 P HA -0.151 nan 4.420 nan 0.000 0.219 434 P C 0.924 178.363 177.300 0.231 0.000 1.146 434 P CA 0.790 64.088 63.100 0.330 0.000 0.808 434 P CB 0.346 32.153 31.700 0.179 0.000 0.779 435 A N -0.060 122.858 122.820 0.164 0.000 2.016 435 A HA -0.029 4.294 4.320 0.006 0.000 0.217 435 A C 2.058 179.720 177.584 0.130 0.000 1.162 435 A CA 1.991 54.104 52.037 0.126 0.000 0.662 435 A CB -1.232 17.822 19.000 0.091 0.000 0.812 435 A HN 0.392 nan 8.150 nan 0.000 0.450 436 T N -4.289 110.360 114.554 0.157 0.000 2.975 436 T HA 0.269 4.623 4.350 0.006 0.000 0.257 436 T C 0.482 175.281 174.700 0.166 0.000 1.003 436 T CA 0.372 62.559 62.100 0.145 0.000 0.932 436 T CB -0.655 68.295 68.868 0.136 0.000 1.087 436 T HN 0.265 nan 8.240 nan 0.000 0.512 437 V N 2.562 122.605 119.914 0.216 0.000 2.584 437 V HA 0.497 4.621 4.120 0.006 0.000 0.303 437 V C 0.039 176.214 176.094 0.135 0.000 1.035 437 V CA 0.673 63.092 62.300 0.198 0.000 1.172 437 V CB -0.442 31.509 31.823 0.213 0.000 0.896 437 V HN 0.897 nan 8.190 nan 0.000 0.486 438 A N 5.368 128.261 122.820 0.120 0.000 2.599 438 A HA 0.577 4.901 4.320 0.006 0.000 0.294 438 A C -0.942 176.699 177.584 0.095 0.000 1.055 438 A CA -0.416 51.679 52.037 0.097 0.000 0.683 438 A CB 1.176 20.230 19.000 0.089 0.000 1.278 438 A HN 0.956 nan 8.150 nan 0.000 0.412 439 D N 1.294 121.741 120.400 0.078 0.000 2.348 439 D HA 0.316 4.960 4.640 0.006 0.000 0.253 439 D C 0.355 176.698 176.300 0.070 0.000 1.161 439 D CA 0.143 54.196 54.000 0.089 0.000 0.876 439 D CB 1.547 42.398 40.800 0.085 0.000 1.160 439 D HN 0.166 nan 8.370 nan 0.000 0.459 440 S N 0.815 116.564 115.700 0.082 0.000 2.497 440 S HA 0.220 4.694 4.470 0.006 0.000 0.218 440 S C 0.963 175.586 174.600 0.038 0.000 1.023 440 S CA -0.167 58.067 58.200 0.056 0.000 0.913 440 S CB 0.276 63.510 63.200 0.056 0.000 0.800 440 S HN 0.787 nan 8.310 nan 0.000 0.505 441 A N 2.695 125.543 122.820 0.047 0.000 2.477 441 A HA 0.488 4.812 4.320 0.006 0.000 0.246 441 A C 0.682 178.254 177.584 -0.020 0.000 1.078 441 A CA 0.040 52.082 52.037 0.008 0.000 0.770 441 A CB -0.048 18.978 19.000 0.044 0.000 1.011 441 A HN 0.382 nan 8.150 nan 0.000 0.494 442 T N -1.264 113.262 114.554 -0.047 0.000 2.887 442 T HA 0.593 4.946 4.350 0.006 0.000 0.292 442 T C 0.461 175.067 174.700 -0.156 0.000 1.087 442 T CA -0.457 61.589 62.100 -0.090 0.000 1.009 442 T CB 0.519 69.393 68.868 0.010 0.000 1.203 442 T HN 0.242 nan 8.240 nan 0.000 0.518 443 F N 0.473 120.419 119.950 -0.008 0.000 2.161 443 F HA 0.052 4.582 4.527 0.005 0.000 0.300 443 F C 2.640 178.391 175.800 -0.081 0.000 1.089 443 F CA 1.733 59.707 58.000 -0.044 0.000 1.282 443 F CB -0.322 38.696 39.000 0.030 0.000 1.010 443 F HN 0.844 nan 8.300 nan 0.000 0.485 444 E N -0.622 119.588 120.200 0.017 0.000 2.106 444 E HA -0.160 4.193 4.350 0.006 0.000 0.192 444 E C -0.100 176.285 176.600 -0.358 0.000 0.984 444 E CA 1.030 57.295 56.400 -0.226 0.000 0.806 444 E CB -0.056 29.413 29.700 -0.386 0.000 0.750 444 E HN 0.499 nan 8.360 nan 0.000 0.458 445 H N -0.226 118.837 119.070 -0.013 0.000 2.569 445 H HA 0.177 4.737 4.556 0.006 0.000 0.247 445 H C -2.074 173.187 175.328 -0.111 0.000 1.346 445 H CA -1.739 54.271 56.048 -0.063 0.000 1.502 445 H CB 1.569 31.294 29.762 -0.063 0.000 1.512 445 H HN 0.151 nan 8.280 nan 0.000 0.502 446 P HA -0.068 nan 4.420 nan 0.000 0.245 446 P C 0.927 178.083 177.300 -0.240 0.000 1.212 446 P CA 0.697 63.740 63.100 -0.095 0.000 0.774 446 P CB 0.302 31.976 31.700 -0.044 0.000 0.999 447 T N -4.457 109.831 114.554 -0.443 0.000 3.182 447 T HA 0.180 4.534 4.350 0.006 0.000 0.277 447 T C 0.387 174.427 174.700 -1.101 0.000 1.013 447 T CA -0.374 61.023 62.100 -1.172 0.000 0.900 447 T CB -0.239 68.111 68.868 -0.863 0.000 1.098 447 T HN -0.144 nan 8.240 nan 0.000 0.543 448 E N 2.249 122.153 120.200 -0.494 0.000 2.360 448 E HA 0.309 4.662 4.350 0.006 0.000 0.269 448 E C -0.083 176.431 176.600 -0.144 0.000 1.022 448 E CA -0.342 55.890 56.400 -0.280 0.000 0.887 448 E CB 0.719 30.351 29.700 -0.114 0.000 0.990 448 E HN 0.221 nan 8.360 nan 0.000 0.426 449 R N 0.977 121.453 120.500 -0.039 0.000 2.489 449 R HA 0.209 4.553 4.340 0.006 0.000 0.287 449 R C 0.112 176.513 176.300 0.170 0.000 1.053 449 R CA -0.050 56.154 56.100 0.175 0.000 1.036 449 R CB 0.241 30.695 30.300 0.256 0.000 0.966 449 R HN 0.575 nan 8.270 nan 0.000 0.432 450 A N 2.281 125.218 122.820 0.195 0.000 2.507 450 A HA 0.441 4.765 4.320 0.006 0.000 0.235 450 A C 0.091 177.779 177.584 0.174 0.000 1.070 450 A CA 0.237 52.373 52.037 0.164 0.000 0.768 450 A CB 0.080 19.173 19.000 0.154 0.000 1.011 450 A HN 0.777 nan 8.150 nan 0.000 0.502 451 A N 0.408 123.319 122.820 0.153 0.000 2.293 451 A HA 0.626 4.950 4.320 0.006 0.000 0.302 451 A C 1.374 179.071 177.584 0.188 0.000 1.119 451 A CA 0.280 52.412 52.037 0.159 0.000 0.823 451 A CB 0.089 19.165 19.000 0.126 0.000 1.097 451 A HN 2.759 nan 8.150 nan 0.000 0.491 452 G N -0.082 108.843 108.800 0.209 0.000 2.148 452 G HA2 -0.171 3.793 3.960 0.006 0.000 0.254 452 G HA3 -0.171 3.793 3.960 0.006 0.000 0.254 452 G C -0.011 175.086 174.900 0.329 0.000 0.981 452 G CA 0.326 45.579 45.100 0.255 0.000 0.670 452 G HN 0.681 nan 8.290 nan 0.000 0.528 453 I N 1.715 122.477 120.570 0.320 0.000 2.306 453 I HA 0.255 4.429 4.170 0.006 0.000 0.288 453 I C 1.429 177.785 176.117 0.399 0.000 1.036 453 I CA -0.618 60.898 61.300 0.360 0.000 1.221 453 I CB 0.568 38.728 38.000 0.267 0.000 1.385 453 I HN 0.246 nan 8.210 nan 0.000 0.472 454 H N 6.022 125.262 119.070 0.284 0.000 2.294 454 H HA 0.029 4.589 4.556 0.006 0.000 0.306 454 H C 0.181 175.630 175.328 0.201 0.000 1.065 454 H CA 1.227 57.402 56.048 0.211 0.000 1.343 454 H CB 0.972 30.834 29.762 0.167 0.000 1.396 454 H HN 0.620 nan 8.280 nan 0.000 0.506 455 S N -0.467 115.444 115.700 0.351 0.000 2.596 455 S HA 0.580 5.054 4.470 0.006 0.000 0.270 455 S C -1.321 173.374 174.600 0.157 0.000 1.155 455 S CA -0.863 57.442 58.200 0.175 0.000 0.827 455 S CB 2.696 65.954 63.200 0.096 0.000 1.130 455 S HN 0.045 nan 8.310 nan 0.000 0.467 456 V N 1.646 121.530 119.914 -0.049 0.000 2.733 456 V HA 0.549 4.673 4.120 0.006 0.000 0.306 456 V C -1.931 174.016 176.094 -0.244 0.000 1.084 456 V CA -0.619 61.657 62.300 -0.039 0.000 0.905 456 V CB 1.451 33.263 31.823 -0.018 0.000 1.010 456 V HN 0.933 nan 8.190 nan 0.000 0.424 457 Y N 2.543 122.878 120.300 0.059 0.000 2.409 457 Y HA 0.763 5.316 4.550 0.006 0.000 0.343 457 Y C -0.123 175.807 175.900 0.050 0.000 0.973 457 Y CA -1.125 57.018 58.100 0.072 0.000 1.064 457 Y CB 2.233 40.766 38.460 0.122 0.000 1.207 457 Y HN 0.356 nan 8.280 nan 0.000 0.452 458 V N 2.899 122.919 119.914 0.177 0.000 2.444 458 V HA 0.258 4.382 4.120 0.006 0.000 0.294 458 V C -0.380 175.787 176.094 0.123 0.000 1.022 458 V CA -1.534 60.828 62.300 0.103 0.000 0.850 458 V CB 1.194 33.041 31.823 0.039 0.000 0.992 458 V HN 0.961 nan 8.190 nan 0.000 0.426 459 N N 4.008 122.776 118.700 0.114 0.000 2.727 459 N HA -0.233 4.511 4.740 0.006 0.000 0.249 459 N C 1.146 176.764 175.510 0.180 0.000 1.048 459 N CA 0.857 53.987 53.050 0.134 0.000 0.714 459 N CB -0.792 37.729 38.487 0.056 0.000 0.959 459 N HN 1.414 nan 8.380 nan 0.000 0.544 460 G N -2.038 106.898 108.800 0.226 0.000 2.234 460 G HA2 -0.233 3.731 3.960 0.006 0.000 0.260 460 G HA3 -0.233 3.731 3.960 0.006 0.000 0.260 460 G C 0.192 175.330 174.900 0.397 0.000 0.987 460 G CA 0.439 45.709 45.100 0.284 0.000 0.625 460 G HN 1.045 nan 8.290 nan 0.000 0.532 461 A N 0.201 123.198 122.820 0.296 0.000 2.292 461 A HA 0.913 5.237 4.320 0.006 0.000 0.319 461 A C 0.599 178.284 177.584 0.167 0.000 1.206 461 A CA 0.770 52.941 52.037 0.222 0.000 0.835 461 A CB 1.072 20.143 19.000 0.119 0.000 1.164 461 A HN 2.040 nan 8.150 nan 0.000 0.505 462 A N 1.866 124.706 122.820 0.033 0.000 2.492 462 A HA 0.418 4.742 4.320 0.006 0.000 0.254 462 A C 1.063 178.550 177.584 -0.162 0.000 1.091 462 A CA 0.389 52.217 52.037 -0.348 0.000 0.768 462 A CB -0.219 18.514 19.000 -0.444 0.000 1.028 462 A HN 1.932 nan 8.150 nan 0.000 0.498 463 V N -0.122 119.738 119.914 -0.090 0.000 3.570 463 V HA 0.323 4.447 4.120 0.006 0.000 0.257 463 V C 0.420 176.672 176.094 0.265 0.000 1.272 463 V CA -0.124 62.248 62.300 0.120 0.000 1.079 463 V CB -0.310 31.621 31.823 0.181 0.000 0.829 463 V HN 0.861 nan 8.190 nan 0.000 0.454 464 W N 1.353 122.580 121.300 -0.121 0.000 2.830 464 W HA 0.700 5.364 4.660 0.007 0.000 0.335 464 W C -1.518 174.889 176.519 -0.185 0.000 1.043 464 W CA -0.352 56.940 57.345 -0.089 0.000 1.239 464 W CB 1.994 31.423 29.460 -0.052 0.000 1.378 464 W HN 0.210 nan 8.180 nan 0.000 0.456 465 E N 3.898 123.788 120.200 -0.516 0.000 2.375 465 E HA 0.075 4.429 4.350 0.006 0.000 0.280 465 E C -0.816 175.430 176.600 -0.590 0.000 0.972 465 E CA -0.668 55.442 56.400 -0.484 0.000 0.782 465 E CB 1.964 31.459 29.700 -0.342 0.000 1.229 465 E HN 0.381 nan 8.360 nan 0.000 0.439 466 D N 2.753 122.868 120.400 -0.476 0.000 2.701 466 D HA -0.181 4.463 4.640 0.006 0.000 0.235 466 D C -0.436 175.577 176.300 -0.480 0.000 1.155 466 D CA 0.979 54.752 54.000 -0.378 0.000 0.649 466 D CB -0.575 40.055 40.800 -0.283 0.000 1.050 466 D HN 0.531 nan 8.370 nan 0.000 0.425 467 Q N -2.112 117.281 119.800 -0.679 0.000 2.453 467 Q HA -0.235 4.108 4.340 0.006 0.000 0.294 467 Q C -0.308 175.010 176.000 -1.137 0.000 1.295 467 Q CA 1.597 56.952 55.803 -0.747 0.000 0.853 467 Q CB -1.746 26.911 28.738 -0.136 0.000 1.193 467 Q HN 0.575 nan 8.270 nan 0.000 0.461 468 S N -0.758 113.942 115.700 -1.666 0.000 2.547 468 S HA 0.622 5.095 4.470 0.006 0.000 0.270 468 S C -1.332 172.938 174.600 -0.549 0.000 1.150 468 S CA -0.865 56.791 58.200 -0.906 0.000 0.850 468 S CB 1.008 63.954 63.200 -0.422 0.000 1.118 468 S HN 0.241 nan 8.310 nan 0.000 0.461 469 F N 3.869 123.751 119.950 -0.113 0.000 2.504 469 F HA 0.334 4.865 4.527 0.006 0.000 0.369 469 F C 1.746 177.499 175.800 -0.079 0.000 1.082 469 F CA 0.243 58.287 58.000 0.074 0.000 1.216 469 F CB 0.936 40.019 39.000 0.139 0.000 1.108 469 F HN 0.732 nan 8.300 nan 0.000 0.554 470 T N 1.685 115.911 114.554 -0.547 0.000 3.023 470 T HA 0.224 4.578 4.350 0.006 0.000 0.266 470 T C 1.502 175.663 174.700 -0.899 0.000 1.093 470 T CA 0.724 62.463 62.100 -0.603 0.000 1.129 470 T CB -0.473 68.176 68.868 -0.364 0.000 0.899 470 T HN 1.508 nan 8.240 nan 0.000 0.491 471 G N 0.488 108.142 108.800 -1.911 0.000 2.179 471 G HA2 -0.181 3.783 3.960 0.006 0.000 0.220 471 G HA3 -0.181 3.783 3.960 0.006 0.000 0.220 471 G C -0.058 174.373 174.900 -0.781 0.000 0.990 471 G CA -0.301 44.023 45.100 -1.293 0.000 0.646 471 G HN 0.573 nan 8.290 nan 0.000 0.517 472 Q N 0.958 120.422 119.800 -0.560 0.000 2.323 472 Q HA 0.339 4.683 4.340 0.006 0.000 0.257 472 Q C -0.493 175.474 176.000 -0.054 0.000 1.022 472 Q CA 0.031 55.722 55.803 -0.187 0.000 0.919 472 Q CB 0.339 29.031 28.738 -0.078 0.000 1.220 472 Q HN 0.662 nan 8.270 nan 0.000 0.427 473 H N 0.827 119.998 119.070 0.169 0.000 2.745 473 H HA 0.269 4.829 4.556 0.006 0.000 0.235 473 H C 0.728 176.096 175.328 0.068 0.000 1.815 473 H CA -0.102 56.030 56.048 0.140 0.000 1.321 473 H CB 0.486 30.305 29.762 0.094 0.000 1.716 473 H HN 0.712 nan 8.280 nan 0.000 0.546 474 A N 2.157 125.047 122.820 0.117 0.000 2.238 474 A HA 0.217 4.541 4.320 0.006 0.000 0.210 474 A C 1.693 179.295 177.584 0.030 0.000 1.179 474 A CA 0.279 52.358 52.037 0.071 0.000 0.827 474 A CB -0.013 19.030 19.000 0.071 0.000 0.856 474 A HN 0.625 nan 8.150 nan 0.000 0.488 475 G N -0.119 108.692 108.800 0.018 0.000 2.594 475 G HA2 0.466 4.430 3.960 0.006 0.000 0.243 475 G HA3 0.466 4.430 3.960 0.006 0.000 0.243 475 G C -0.075 174.792 174.900 -0.056 0.000 1.229 475 G CA -0.445 44.635 45.100 -0.033 0.000 0.843 475 G HN 0.473 nan 8.290 nan 0.000 0.578 476 R N -0.409 120.035 120.500 -0.094 0.000 2.795 476 R HA 0.422 4.766 4.340 0.006 0.000 0.275 476 R C -1.113 175.118 176.300 -0.114 0.000 0.981 476 R CA -0.930 55.106 56.100 -0.107 0.000 0.917 476 R CB 2.542 32.758 30.300 -0.139 0.000 1.202 476 R HN 0.342 nan 8.270 nan 0.000 0.469 477 V N 4.265 124.114 119.914 -0.108 0.000 2.488 477 V HA 0.207 4.331 4.120 0.006 0.000 0.277 477 V C 0.258 176.304 176.094 -0.081 0.000 1.046 477 V CA -0.067 62.172 62.300 -0.100 0.000 0.986 477 V CB 0.648 32.404 31.823 -0.111 0.000 0.989 477 V HN 0.452 nan 8.190 nan 0.000 0.475 478 L N 5.175 126.356 121.223 -0.070 0.000 2.352 478 L HA 0.578 4.922 4.340 0.006 0.000 0.269 478 L C -0.033 176.828 176.870 -0.015 0.000 1.034 478 L CA -0.549 54.257 54.840 -0.058 0.000 0.806 478 L CB 1.323 43.340 42.059 -0.069 0.000 1.244 478 L HN 0.618 nan 8.230 nan 0.000 0.447 479 N N -0.650 118.049 118.700 -0.002 0.000 2.240 479 N HA 0.707 5.451 4.740 0.006 0.000 0.302 479 N C -0.500 175.030 175.510 0.034 0.000 1.106 479 N CA -0.712 52.352 53.050 0.024 0.000 0.778 479 N CB 1.695 40.198 38.487 0.027 0.000 1.431 479 N HN 0.618 nan 8.380 nan 0.000 0.479 480 R N 0.000 120.530 120.500 0.050 0.000 2.786 480 R HA 0.000 4.344 4.340 0.006 0.000 0.208 480 R CA 0.000 56.137 56.100 0.061 0.000 0.921 480 R CB 0.000 30.349 30.300 0.082 0.000 0.687 480 R HN 0.000 nan 8.270 nan 0.000 0.535