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 3h1c_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFFRR EGRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAQLLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVAALA DATA SEQUENCE EARLSDAYRI TDKQERYAQV DVIKSETIAT LLAEDETLDE NELGEILHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTAR DAQVLDELMG ERTDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 L N 3.130 124.358 121.223 0.009 0.000 2.305 2 L HA 0.831 5.174 4.340 0.005 0.000 0.284 2 L C -1.359 175.520 176.870 0.015 0.000 1.013 2 L CA -0.663 54.184 54.840 0.013 0.000 0.819 2 L CB 1.497 43.563 42.059 0.012 0.000 1.227 2 L HN 0.515 nan 8.230 nan 0.000 0.417 3 N N 5.964 124.675 118.700 0.018 0.000 2.342 3 N HA 0.607 5.350 4.740 0.005 0.000 0.293 3 N C -2.590 172.935 175.510 0.025 0.000 1.026 3 N CA -1.150 51.912 53.050 0.019 0.000 0.857 3 N CB 1.841 40.338 38.487 0.018 0.000 1.256 3 N HN 0.404 nan 8.380 nan 0.000 0.484 4 P HA 0.495 nan 4.420 nan 0.000 0.283 4 P C -0.753 176.566 177.300 0.033 0.000 1.271 4 P CA -0.559 62.562 63.100 0.035 0.000 0.841 4 P CB 1.331 33.053 31.700 0.037 0.000 1.122 5 I N 0.717 121.310 120.570 0.037 0.000 2.382 5 I HA 0.317 4.490 4.170 0.005 0.000 0.285 5 I C -0.091 176.051 176.117 0.041 0.000 1.007 5 I CA -0.667 60.654 61.300 0.035 0.000 1.142 5 I CB 1.750 39.769 38.000 0.031 0.000 1.289 5 I HN 0.016 nan 8.210 nan 0.000 0.453 6 V N 7.582 127.521 119.914 0.041 0.000 2.540 6 V HA 0.671 4.794 4.120 0.005 0.000 0.302 6 V C -0.781 175.346 176.094 0.055 0.000 1.035 6 V CA -0.501 61.829 62.300 0.049 0.000 0.873 6 V CB 1.890 33.739 31.823 0.044 0.000 0.992 6 V HN 0.832 nan 8.190 nan 0.000 0.428 7 R N 5.964 126.510 120.500 0.076 0.000 2.502 7 R HA 0.560 4.903 4.340 0.005 0.000 0.298 7 R C -1.033 175.365 176.300 0.162 0.000 1.018 7 R CA -0.688 55.473 56.100 0.103 0.000 0.899 7 R CB 1.408 31.763 30.300 0.091 0.000 1.181 7 R HN 0.843 nan 8.270 nan 0.000 0.444 8 K N 4.011 124.498 120.400 0.146 0.000 2.203 8 K HA 0.554 4.877 4.320 0.005 0.000 0.251 8 K C -0.945 175.785 176.600 0.218 0.000 0.944 8 K CA -0.675 55.685 56.287 0.122 0.000 0.829 8 K CB 1.469 33.988 32.500 0.031 0.000 1.125 8 K HN 0.356 nan 8.250 nan 0.000 0.430 9 F N -1.618 118.347 119.950 0.026 0.000 2.869 9 F HA 0.435 4.967 4.527 0.009 0.000 0.325 9 F C -1.392 174.440 175.800 0.053 0.000 1.184 9 F CA -1.343 56.674 58.000 0.029 0.000 0.951 9 F CB 1.226 40.234 39.000 0.014 0.000 1.421 9 F HN 0.420 nan 8.300 nan 0.000 0.501 10 Q N 0.265 120.205 119.800 0.233 0.000 2.312 10 Q HA 0.355 4.698 4.340 0.005 0.000 0.263 10 Q C -2.058 174.134 176.000 0.321 0.000 0.995 10 Q CA -0.857 55.023 55.803 0.128 0.000 0.853 10 Q CB 2.735 31.537 28.738 0.106 0.000 1.300 10 Q HN 0.685 nan 8.270 nan 0.000 0.448 11 Y N 1.245 121.570 120.300 0.041 0.000 2.511 11 Y HA 0.406 4.958 4.550 0.004 0.000 0.356 11 Y C 0.500 176.431 175.900 0.053 0.000 1.002 11 Y CA 0.052 58.214 58.100 0.104 0.000 1.127 11 Y CB 0.147 38.682 38.460 0.125 0.000 1.137 11 Y HN 0.896 nan 8.280 nan 0.000 0.652 12 G N 1.818 110.591 108.800 -0.046 0.000 4.165 12 G HA2 -0.295 3.668 3.960 0.005 0.000 0.211 12 G HA3 -0.295 3.668 3.960 0.005 0.000 0.211 12 G C 0.838 175.650 174.900 -0.148 0.000 1.469 12 G CA 0.799 45.804 45.100 -0.158 0.000 0.964 12 G HN 0.453 nan 8.290 nan 0.000 0.613 13 Q N -1.233 118.428 119.800 -0.233 0.000 2.303 13 Q HA 0.136 4.479 4.340 0.005 0.000 0.175 13 Q C -0.062 175.761 176.000 -0.295 0.000 0.643 13 Q CA -0.011 55.598 55.803 -0.324 0.000 0.871 13 Q CB 0.662 29.068 28.738 -0.552 0.000 1.206 13 Q HN 0.717 nan 8.270 nan 0.000 0.424 14 H N 2.723 121.769 119.070 -0.041 0.000 2.899 14 H HA 0.100 4.657 4.556 0.003 0.000 0.303 14 H C -0.033 175.261 175.328 -0.056 0.000 1.042 14 H CA 0.549 56.575 56.048 -0.036 0.000 1.479 14 H CB 0.106 29.853 29.762 -0.025 0.000 1.493 14 H HN 0.193 nan 8.280 nan 0.000 0.534 15 T N 0.589 115.153 114.554 0.016 0.000 2.834 15 T HA 0.236 4.589 4.350 0.005 0.000 0.298 15 T C 0.517 175.115 174.700 -0.170 0.000 0.966 15 T CA -0.869 61.177 62.100 -0.090 0.000 1.141 15 T CB 0.379 69.208 68.868 -0.066 0.000 0.905 15 T HN 0.260 nan 8.240 nan 0.000 0.535 16 V N 4.645 124.295 119.914 -0.440 0.000 2.407 16 V HA 0.388 4.511 4.120 0.005 0.000 0.278 16 V C 0.596 176.424 176.094 -0.444 0.000 1.037 16 V CA -0.630 61.374 62.300 -0.494 0.000 0.900 16 V CB 1.225 32.624 31.823 -0.706 0.000 0.983 16 V HN 1.110 nan 8.190 nan 0.000 0.459 17 T N 6.928 121.383 114.554 -0.165 0.000 2.797 17 T HA 0.717 5.070 4.350 0.005 0.000 0.279 17 T C -0.453 174.260 174.700 0.022 0.000 0.991 17 T CA -0.379 61.692 62.100 -0.048 0.000 0.979 17 T CB 1.040 69.898 68.868 -0.017 0.000 0.943 17 T HN 0.374 nan 8.240 nan 0.000 0.444 18 L N 2.665 123.934 121.223 0.076 0.000 2.362 18 L HA 0.677 5.020 4.340 0.005 0.000 0.275 18 L C -0.046 176.870 176.870 0.076 0.000 0.998 18 L CA -0.745 54.149 54.840 0.089 0.000 0.820 18 L CB 1.954 44.089 42.059 0.126 0.000 1.270 18 L HN 0.614 nan 8.230 nan 0.000 0.415 19 E N 1.760 122.004 120.200 0.075 0.000 2.275 19 E HA 0.613 4.966 4.350 0.005 0.000 0.270 19 E C -1.568 175.081 176.600 0.082 0.000 0.882 19 E CA -0.345 56.100 56.400 0.075 0.000 0.758 19 E CB 2.637 32.383 29.700 0.078 0.000 1.195 19 E HN 0.550 nan 8.360 nan 0.000 0.419 20 T N 1.604 116.199 114.554 0.068 0.000 2.868 20 T HA 0.620 4.973 4.350 0.005 0.000 0.306 20 T C 0.243 174.979 174.700 0.060 0.000 1.224 20 T CA 0.543 62.682 62.100 0.066 0.000 1.012 20 T CB 1.358 70.248 68.868 0.037 0.000 1.221 20 T HN 0.815 nan 8.240 nan 0.000 0.499 21 G N 2.120 110.959 108.800 0.065 0.000 2.184 21 G HA2 -0.199 3.764 3.960 0.005 0.000 0.206 21 G HA3 -0.199 3.764 3.960 0.005 0.000 0.206 21 G C 0.498 175.432 174.900 0.056 0.000 0.995 21 G CA 0.748 45.880 45.100 0.054 0.000 0.651 21 G HN 0.808 nan 8.290 nan 0.000 0.511 22 M N -0.461 119.181 119.600 0.070 0.000 2.971 22 M HA 0.623 5.106 4.480 0.005 0.000 0.238 22 M C 1.031 177.372 176.300 0.069 0.000 1.582 22 M CA 0.361 55.696 55.300 0.057 0.000 1.223 22 M CB 0.471 33.097 32.600 0.044 0.000 1.238 22 M HN 0.124 nan 8.290 nan 0.000 0.568 23 M N 1.778 121.442 119.600 0.108 0.000 2.235 23 M HA 0.389 4.872 4.480 0.005 0.000 0.351 23 M C 0.276 176.718 176.300 0.236 0.000 1.178 23 M CA -0.040 55.339 55.300 0.131 0.000 1.143 23 M CB 1.072 33.711 32.600 0.065 0.000 1.530 23 M HN 0.444 nan 8.290 nan 0.000 0.461 24 A N 2.735 125.677 122.820 0.203 0.000 2.060 24 A HA -0.199 4.124 4.320 0.005 0.000 0.267 24 A C 0.775 178.432 177.584 0.121 0.000 1.378 24 A CA 0.747 52.899 52.037 0.192 0.000 0.733 24 A CB -1.033 18.148 19.000 0.301 0.000 1.188 24 A HN 1.034 nan 8.150 nan 0.000 0.311 25 R N -0.096 120.455 120.500 0.085 0.000 2.189 25 R HA -0.015 4.328 4.340 0.005 0.000 0.203 25 R C 2.216 178.550 176.300 0.056 0.000 1.012 25 R CA 1.127 57.266 56.100 0.064 0.000 1.015 25 R CB -0.018 30.313 30.300 0.051 0.000 0.938 25 R HN 0.855 nan 8.270 nan 0.000 0.472 26 Q N 0.832 120.665 119.800 0.055 0.000 2.050 26 Q HA -0.024 4.319 4.340 0.005 0.000 0.202 26 Q C 0.563 176.595 176.000 0.054 0.000 0.980 26 Q CA 1.214 57.046 55.803 0.049 0.000 0.840 26 Q CB 0.020 28.784 28.738 0.044 0.000 0.898 26 Q HN 0.275 nan 8.270 nan 0.000 0.424 27 A N -0.343 122.512 122.820 0.058 0.000 2.407 27 A HA -0.023 4.300 4.320 0.005 0.000 0.257 27 A C 1.229 178.850 177.584 0.061 0.000 1.131 27 A CA 0.632 52.702 52.037 0.055 0.000 0.803 27 A CB -0.094 18.931 19.000 0.042 0.000 1.083 27 A HN 0.429 nan 8.150 nan 0.000 0.512 28 T N -0.012 114.582 114.554 0.065 0.000 2.809 28 T HA 0.363 4.716 4.350 0.005 0.000 0.260 28 T C 0.697 175.426 174.700 0.049 0.000 1.039 28 T CA 1.484 63.637 62.100 0.089 0.000 1.141 28 T CB -0.206 68.736 68.868 0.123 0.000 0.869 28 T HN 1.412 nan 8.240 nan 0.000 0.437 29 A N 0.040 122.861 122.820 0.002 0.000 2.547 29 A HA 0.795 5.118 4.320 0.005 0.000 0.297 29 A C -1.582 175.954 177.584 -0.080 0.000 1.056 29 A CA -0.530 51.489 52.037 -0.031 0.000 0.688 29 A CB 1.371 20.337 19.000 -0.057 0.000 1.282 29 A HN 0.498 nan 8.150 nan 0.000 0.400 30 A N 1.263 124.032 122.820 -0.084 0.000 2.442 30 A HA 0.662 4.985 4.320 0.005 0.000 0.284 30 A C -1.281 176.220 177.584 -0.138 0.000 1.058 30 A CA -0.374 51.544 52.037 -0.198 0.000 0.738 30 A CB 1.158 20.093 19.000 -0.108 0.000 1.242 30 A HN 1.558 nan 8.150 nan 0.000 0.421 31 V N 2.713 122.492 119.914 -0.225 0.000 2.487 31 V HA 0.509 4.632 4.120 0.005 0.000 0.298 31 V C -0.132 175.951 176.094 -0.019 0.000 1.028 31 V CA -0.451 61.805 62.300 -0.073 0.000 0.860 31 V CB 1.604 33.392 31.823 -0.059 0.000 0.991 31 V HN 0.964 nan 8.190 nan 0.000 0.427 32 M N 6.619 126.311 119.600 0.153 0.000 2.135 32 M HA 0.495 4.978 4.480 0.005 0.000 0.345 32 M C -0.825 175.550 176.300 0.124 0.000 1.340 32 M CA 0.346 55.790 55.300 0.241 0.000 1.162 32 M CB 0.482 33.236 32.600 0.258 0.000 1.570 32 M HN 0.475 nan 8.290 nan 0.000 0.454 33 V N 3.857 123.830 119.914 0.100 0.000 2.994 33 V HA 0.977 5.100 4.120 0.005 0.000 0.318 33 V C -0.333 175.794 176.094 0.055 0.000 1.085 33 V CA -0.272 62.065 62.300 0.062 0.000 0.998 33 V CB 2.069 33.918 31.823 0.044 0.000 1.063 33 V HN 0.961 nan 8.190 nan 0.000 0.447 34 S N 1.943 117.659 115.700 0.026 0.000 2.710 34 S HA 0.487 4.960 4.470 0.005 0.000 0.274 34 S C -0.598 173.993 174.600 -0.015 0.000 1.029 34 S CA -0.678 57.531 58.200 0.014 0.000 0.864 34 S CB 1.007 64.222 63.200 0.025 0.000 1.103 34 S HN 0.457 nan 8.310 nan 0.000 0.460 35 M N 0.497 120.085 119.600 -0.018 0.000 3.125 35 M HA 0.335 4.818 4.480 0.005 0.000 0.207 35 M C 0.780 177.081 176.300 0.002 0.000 1.574 35 M CA 0.272 55.559 55.300 -0.021 0.000 1.430 35 M CB -0.438 32.143 32.600 -0.031 0.000 0.998 35 M HN 0.715 nan 8.290 nan 0.000 0.574 36 D N 0.024 120.425 120.400 0.001 0.000 2.355 36 D HA -0.007 4.636 4.640 0.005 0.000 0.233 36 D C 0.745 177.052 176.300 0.012 0.000 0.997 36 D CA 1.276 55.295 54.000 0.032 0.000 0.920 36 D CB 0.236 41.067 40.800 0.053 0.000 1.063 36 D HN 0.193 nan 8.370 nan 0.000 0.465 37 D N -1.339 119.060 120.400 -0.002 0.000 2.345 37 D HA 0.062 4.705 4.640 0.005 0.000 0.290 37 D C -0.407 175.893 176.300 -0.001 0.000 1.107 37 D CA 0.229 54.230 54.000 0.002 0.000 0.836 37 D CB 0.672 41.475 40.800 0.005 0.000 1.406 37 D HN -0.043 nan 8.370 nan 0.000 0.532 38 T N 1.547 116.094 114.554 -0.012 0.000 2.769 38 T HA 0.566 4.920 4.350 0.005 0.000 0.293 38 T C 0.103 174.808 174.700 0.009 0.000 0.931 38 T CA -0.076 62.020 62.100 -0.007 0.000 1.139 38 T CB 1.048 69.904 68.868 -0.019 0.000 0.881 38 T HN 0.059 nan 8.240 nan 0.000 0.532 39 A N 3.584 126.417 122.820 0.021 0.000 2.343 39 A HA 0.718 5.041 4.320 0.005 0.000 0.316 39 A C -0.600 177.022 177.584 0.064 0.000 1.104 39 A CA -0.695 51.369 52.037 0.045 0.000 0.768 39 A CB 1.228 20.259 19.000 0.051 0.000 1.213 39 A HN 0.648 nan 8.150 nan 0.000 0.456 40 V N 2.792 122.760 119.914 0.090 0.000 2.407 40 V HA 0.329 4.452 4.120 0.005 0.000 0.291 40 V C -0.943 175.244 176.094 0.156 0.000 1.018 40 V CA -0.321 62.047 62.300 0.114 0.000 0.842 40 V CB 1.190 33.084 31.823 0.118 0.000 0.996 40 V HN 0.802 nan 8.190 nan 0.000 0.426 41 F N 6.484 126.445 119.950 0.018 0.000 2.413 41 F HA 0.594 5.124 4.527 0.006 0.000 0.359 41 F C -0.087 175.725 175.800 0.020 0.000 1.122 41 F CA -0.296 57.715 58.000 0.020 0.000 1.160 41 F CB 0.890 39.904 39.000 0.022 0.000 1.146 41 F HN 0.276 nan 8.300 nan 0.000 0.514 42 V N 4.956 124.606 119.914 -0.440 0.000 2.459 42 V HA 0.517 4.641 4.120 0.005 0.000 0.295 42 V C -0.156 175.629 176.094 -0.515 0.000 1.029 42 V CA -0.640 61.453 62.300 -0.345 0.000 0.874 42 V CB 1.725 33.449 31.823 -0.165 0.000 0.985 42 V HN 0.811 nan 8.190 nan 0.000 0.438 43 T N 1.385 115.729 114.554 -0.350 0.000 2.841 43 T HA 0.791 5.144 4.350 0.005 0.000 0.283 43 T C -0.874 173.740 174.700 -0.144 0.000 1.000 43 T CA -0.757 61.182 62.100 -0.268 0.000 0.977 43 T CB 1.797 70.548 68.868 -0.195 0.000 0.979 43 T HN 0.303 nan 8.240 nan 0.000 0.446 44 V N 3.048 122.890 119.914 -0.119 0.000 2.444 44 V HA 0.570 4.694 4.120 0.005 0.000 0.294 44 V C -0.540 175.527 176.094 -0.044 0.000 1.022 44 V CA -0.730 61.519 62.300 -0.085 0.000 0.850 44 V CB 1.769 33.522 31.823 -0.118 0.000 0.992 44 V HN 0.916 nan 8.190 nan 0.000 0.426 45 V N 3.813 123.714 119.914 -0.022 0.000 2.409 45 V HA 0.803 4.926 4.120 0.005 0.000 0.291 45 V C 0.535 176.645 176.094 0.027 0.000 1.020 45 V CA -0.350 61.960 62.300 0.017 0.000 0.848 45 V CB 1.844 33.678 31.823 0.019 0.000 0.990 45 V HN 0.936 nan 8.190 nan 0.000 0.430 46 G N 3.039 111.893 108.800 0.090 0.000 2.478 46 G HA2 0.535 4.498 3.960 0.005 0.000 0.317 46 G HA3 0.535 4.498 3.960 0.005 0.000 0.317 46 G C -0.850 174.234 174.900 0.307 0.000 1.259 46 G CA -0.471 44.706 45.100 0.128 0.000 0.933 46 G HN 0.618 nan 8.290 nan 0.000 0.478 47 Q N 1.502 121.440 119.800 0.229 0.000 2.314 47 Q HA 0.170 4.514 4.340 0.005 0.000 0.258 47 Q C 0.948 177.160 176.000 0.353 0.000 0.954 47 Q CA -0.611 55.319 55.803 0.212 0.000 0.890 47 Q CB 0.877 29.662 28.738 0.079 0.000 1.210 47 Q HN 0.409 nan 8.270 nan 0.000 0.410 48 K N 2.664 123.183 120.400 0.198 0.000 2.001 48 K HA -0.099 4.224 4.320 0.005 0.000 0.208 48 K C 0.264 176.914 176.600 0.084 0.000 1.048 48 K CA 1.442 57.748 56.287 0.031 0.000 0.932 48 K CB -0.084 32.351 32.500 -0.109 0.000 0.715 48 K HN 0.599 nan 8.250 nan 0.000 0.437 49 K N 0.273 120.708 120.400 0.059 0.000 2.138 49 K HA 0.585 4.908 4.320 0.005 0.000 0.263 49 K C -0.724 175.895 176.600 0.032 0.000 0.965 49 K CA -0.630 55.687 56.287 0.050 0.000 0.868 49 K CB 2.085 34.599 32.500 0.022 0.000 1.083 49 K HN -0.111 nan 8.250 nan 0.000 0.443 50 A N 1.502 124.333 122.820 0.018 0.000 2.302 50 A HA 0.245 4.568 4.320 0.005 0.000 0.285 50 A C -0.328 177.237 177.584 -0.032 0.000 1.105 50 A CA -0.731 51.286 52.037 -0.034 0.000 0.816 50 A CB 0.835 19.803 19.000 -0.053 0.000 1.067 50 A HN 0.610 nan 8.150 nan 0.000 0.489 51 K N 2.091 122.456 120.400 -0.058 0.000 2.416 51 K HA 0.187 4.510 4.320 0.005 0.000 0.283 51 K C -1.847 174.734 176.600 -0.031 0.000 1.037 51 K CA -0.735 55.525 56.287 -0.044 0.000 0.995 51 K CB 0.419 32.883 32.500 -0.061 0.000 0.938 51 K HN 0.629 nan 8.250 nan 0.000 0.475 52 P HA -0.147 nan 4.420 nan 0.000 0.217 52 P C 0.640 177.939 177.300 -0.001 0.000 1.158 52 P CA 1.613 64.711 63.100 -0.003 0.000 0.887 52 P CB 0.039 31.740 31.700 0.001 0.000 0.792 53 G N 0.085 108.884 108.800 -0.002 0.000 3.964 53 G HA2 0.186 4.149 3.960 0.005 0.000 0.289 53 G HA3 0.186 4.149 3.960 0.005 0.000 0.289 53 G C -0.275 174.626 174.900 0.003 0.000 1.176 53 G CA -0.140 44.965 45.100 0.009 0.000 1.553 53 G HN 0.020 nan 8.290 nan 0.000 0.588 54 Q N 0.676 120.466 119.800 -0.016 0.000 2.353 54 Q HA 0.258 4.601 4.340 0.005 0.000 0.268 54 Q C -0.270 175.725 176.000 -0.008 0.000 1.045 54 Q CA -0.541 55.229 55.803 -0.055 0.000 0.811 54 Q CB 2.679 31.329 28.738 -0.146 0.000 1.305 54 Q HN 0.590 nan 8.270 nan 0.000 0.447 55 D N 0.429 120.857 120.400 0.046 0.000 2.461 55 D HA 0.029 4.672 4.640 0.005 0.000 0.266 55 D C 0.463 176.858 176.300 0.157 0.000 1.085 55 D CA 0.210 54.273 54.000 0.107 0.000 0.887 55 D CB 0.026 40.909 40.800 0.139 0.000 1.309 55 D HN 0.341 nan 8.370 nan 0.000 0.498 56 F N -0.203 119.758 119.950 0.019 0.000 2.541 56 F HA 0.662 5.191 4.527 0.005 0.000 0.331 56 F C -0.726 175.112 175.800 0.063 0.000 1.057 56 F CA -2.040 55.985 58.000 0.042 0.000 0.975 56 F CB 1.048 40.060 39.000 0.020 0.000 1.246 56 F HN -0.231 nan 8.300 nan 0.000 0.484 57 F N 4.350 124.260 119.950 -0.068 0.000 2.413 57 F HA 0.532 5.062 4.527 0.005 0.000 0.359 57 F C -2.533 173.145 175.800 -0.204 0.000 1.122 57 F CA -3.426 54.445 58.000 -0.215 0.000 1.160 57 F CB 0.622 39.569 39.000 -0.087 0.000 1.146 57 F HN 0.238 nan 8.300 nan 0.000 0.514 58 P HA 0.225 nan 4.420 nan 0.000 0.273 58 P C -1.178 175.599 177.300 -0.872 0.000 1.531 58 P CA -0.289 62.392 63.100 -0.699 0.000 1.027 58 P CB 1.093 32.425 31.700 -0.614 0.000 1.387 59 L N 3.279 124.082 121.223 -0.701 0.000 2.280 59 L HA 0.548 4.891 4.340 0.005 0.000 0.287 59 L C -0.069 176.678 176.870 -0.206 0.000 1.023 59 L CA 0.116 54.648 54.840 -0.514 0.000 0.819 59 L CB 1.621 43.478 42.059 -0.336 0.000 1.212 59 L HN 0.225 nan 8.230 nan 0.000 0.420 60 T N 5.271 119.727 114.554 -0.163 0.000 3.155 60 T HA 0.448 4.801 4.350 0.005 0.000 0.384 60 T C -0.872 173.803 174.700 -0.041 0.000 1.351 60 T CA -0.411 61.642 62.100 -0.078 0.000 1.198 60 T CB -0.073 68.753 68.868 -0.071 0.000 1.106 60 T HN 0.295 nan 8.240 nan 0.000 0.564 61 V N 6.467 126.374 119.914 -0.012 0.000 2.385 61 V HA 0.448 4.571 4.120 0.005 0.000 0.269 61 V C 0.033 176.147 176.094 0.034 0.000 1.043 61 V CA -0.925 61.384 62.300 0.015 0.000 0.906 61 V CB 0.471 32.313 31.823 0.031 0.000 0.995 61 V HN 0.949 nan 8.190 nan 0.000 0.467 62 N N 3.896 122.623 118.700 0.044 0.000 2.442 62 N HA 0.340 5.083 4.740 0.005 0.000 0.274 62 N C -1.262 174.313 175.510 0.108 0.000 1.002 62 N CA -0.789 52.299 53.050 0.064 0.000 0.910 62 N CB 1.255 39.760 38.487 0.030 0.000 1.244 62 N HN 0.575 nan 8.380 nan 0.000 0.492 63 Y N 2.082 122.379 120.300 -0.005 0.000 2.331 63 Y HA 0.348 4.901 4.550 0.004 0.000 0.338 63 Y C -0.848 175.052 175.900 0.001 0.000 0.992 63 Y CA -0.661 57.437 58.100 -0.003 0.000 1.121 63 Y CB 1.249 39.706 38.460 -0.006 0.000 1.184 63 Y HN 0.674 nan 8.280 nan 0.000 0.469 64 Q N 4.470 123.969 119.800 -0.503 0.000 2.292 64 Q HA 0.458 4.801 4.340 0.005 0.000 0.270 64 Q C -1.583 174.104 176.000 -0.522 0.000 1.024 64 Q CA -0.894 54.674 55.803 -0.392 0.000 0.768 64 Q CB 2.221 30.861 28.738 -0.163 0.000 1.250 64 Q HN 0.672 nan 8.270 nan 0.000 0.447 65 E N 2.748 122.697 120.200 -0.418 0.000 2.227 65 E HA 0.347 4.700 4.350 0.005 0.000 0.282 65 E C -0.812 175.668 176.600 -0.200 0.000 1.015 65 E CA -0.574 55.642 56.400 -0.307 0.000 0.823 65 E CB 1.389 30.980 29.700 -0.182 0.000 1.081 65 E HN 0.391 nan 8.360 nan 0.000 0.396 66 R N 1.103 121.453 120.500 -0.249 0.000 2.437 66 R HA 0.163 4.506 4.340 0.005 0.000 0.310 66 R C 0.867 176.971 176.300 -0.327 0.000 0.955 66 R CA -0.256 55.687 56.100 -0.262 0.000 0.851 66 R CB 1.230 31.329 30.300 -0.334 0.000 1.161 66 R HN 0.605 nan 8.270 nan 0.000 0.446 67 T N -1.243 113.227 114.554 -0.139 0.000 3.113 67 T HA -0.152 4.201 4.350 0.005 0.000 0.263 67 T C 1.519 176.196 174.700 -0.038 0.000 1.143 67 T CA 0.800 62.857 62.100 -0.072 0.000 1.090 67 T CB -0.334 68.536 68.868 0.005 0.000 0.922 67 T HN 0.750 nan 8.240 nan 0.000 0.521 68 Y N 0.595 120.890 120.300 -0.008 0.000 2.583 68 Y HA 0.620 5.171 4.550 0.001 0.000 0.293 68 Y C 2.321 178.216 175.900 -0.008 0.000 1.157 68 Y CA -0.426 57.669 58.100 -0.009 0.000 1.315 68 Y CB -0.673 37.779 38.460 -0.013 0.000 1.021 68 Y HN 0.221 nan 8.280 nan 0.000 0.536 69 A N 1.278 123.914 122.820 -0.308 0.000 1.930 69 A HA 0.090 4.413 4.320 0.005 0.000 0.217 69 A C 2.332 179.882 177.584 -0.057 0.000 1.175 69 A CA 1.457 53.379 52.037 -0.192 0.000 0.627 69 A CB -1.008 17.838 19.000 -0.257 0.000 0.815 69 A HN 0.612 nan 8.150 nan 0.000 0.443 70 A N -1.922 120.871 122.820 -0.045 0.000 2.147 70 A HA 0.441 4.764 4.320 0.005 0.000 0.211 70 A C 1.549 179.141 177.584 0.013 0.000 1.160 70 A CA 1.113 53.143 52.037 -0.012 0.000 0.781 70 A CB -0.592 18.400 19.000 -0.014 0.000 0.842 70 A HN 1.926 nan 8.150 nan 0.000 0.475 71 G N -0.715 108.105 108.800 0.033 0.000 2.414 71 G HA2 -0.160 3.803 3.960 0.005 0.000 0.256 71 G HA3 -0.160 3.803 3.960 0.005 0.000 0.256 71 G C -0.161 174.762 174.900 0.038 0.000 1.128 71 G CA 0.234 45.363 45.100 0.048 0.000 0.944 71 G HN 0.683 nan 8.290 nan 0.000 0.500 72 R N -0.485 120.040 120.500 0.043 0.000 2.604 72 R HA 0.577 4.920 4.340 0.005 0.000 0.281 72 R C -0.508 175.818 176.300 0.043 0.000 1.020 72 R CA -1.117 55.003 56.100 0.033 0.000 0.899 72 R CB 1.010 31.323 30.300 0.022 0.000 1.205 72 R HN 0.122 nan 8.270 nan 0.000 0.450 73 I N 5.854 126.445 120.570 0.034 0.000 2.452 73 I HA 0.176 4.349 4.170 0.005 0.000 0.287 73 I C -1.593 174.542 176.117 0.031 0.000 1.079 73 I CA -1.607 59.713 61.300 0.034 0.000 1.387 73 I CB 0.767 38.779 38.000 0.019 0.000 1.404 73 I HN 0.407 nan 8.210 nan 0.000 0.522 74 P HA 0.044 nan 4.420 nan 0.000 0.266 74 P C 0.725 178.047 177.300 0.036 0.000 1.195 74 P CA -0.199 62.925 63.100 0.040 0.000 0.768 74 P CB 0.627 32.359 31.700 0.054 0.000 0.838 75 G N 1.111 109.934 108.800 0.038 0.000 3.210 75 G HA2 -0.009 3.954 3.960 0.005 0.000 0.220 75 G HA3 -0.009 3.954 3.960 0.005 0.000 0.220 75 G C 0.747 175.680 174.900 0.055 0.000 1.200 75 G CA 0.019 45.141 45.100 0.036 0.000 0.834 75 G HN 0.596 nan 8.290 nan 0.000 0.524 76 S N -1.149 114.595 115.700 0.072 0.000 2.626 76 S HA 0.306 4.779 4.470 0.005 0.000 0.257 76 S C 1.071 175.739 174.600 0.114 0.000 1.288 76 S CA -0.615 57.657 58.200 0.119 0.000 0.980 76 S CB 0.555 63.848 63.200 0.154 0.000 0.975 76 S HN 0.192 nan 8.310 nan 0.000 0.577 77 F N 0.657 120.594 119.950 -0.023 0.000 2.219 77 F HA 0.228 4.759 4.527 0.006 0.000 0.294 77 F C 1.226 176.873 175.800 -0.255 0.000 1.086 77 F CA 1.114 59.004 58.000 -0.184 0.000 1.330 77 F CB -0.180 38.625 39.000 -0.325 0.000 1.047 77 F HN 0.600 nan 8.300 nan 0.000 0.495 78 F N 0.269 120.293 119.950 0.124 0.000 2.789 78 F HA 0.201 4.731 4.527 0.004 0.000 0.300 78 F C 0.686 176.479 175.800 -0.012 0.000 1.132 78 F CA 0.145 58.167 58.000 0.035 0.000 1.404 78 F CB -0.019 39.042 39.000 0.102 0.000 1.114 78 F HN -0.221 nan 8.300 nan 0.000 0.584 79 R N 0.423 121.003 120.500 0.134 0.000 3.654 79 R HA -0.195 4.148 4.340 0.005 0.000 0.302 79 R C -0.426 175.936 176.300 0.104 0.000 1.166 79 R CA 0.217 56.364 56.100 0.079 0.000 0.810 79 R CB -2.218 28.097 30.300 0.025 0.000 1.323 79 R HN 0.353 nan 8.270 nan 0.000 0.478 80 R N -0.069 120.515 120.500 0.139 0.000 2.621 80 R HA 0.343 4.687 4.340 0.005 0.000 0.284 80 R C 0.729 177.084 176.300 0.092 0.000 0.998 80 R CA -0.498 55.664 56.100 0.104 0.000 0.895 80 R CB 1.093 31.447 30.300 0.089 0.000 1.195 80 R HN -0.093 nan 8.270 nan 0.000 0.450 81 E N 1.952 122.191 120.200 0.066 0.000 2.023 81 E HA 0.032 4.385 4.350 0.005 0.000 0.196 81 E C 1.143 177.768 176.600 0.041 0.000 1.003 81 E CA 2.041 58.469 56.400 0.047 0.000 0.809 81 E CB -0.251 29.462 29.700 0.022 0.000 0.755 81 E HN 0.897 nan 8.360 nan 0.000 0.449 82 G N 0.155 108.972 108.800 0.027 0.000 2.574 82 G HA2 -0.422 3.541 3.960 0.005 0.000 0.301 82 G HA3 -0.422 3.541 3.960 0.005 0.000 0.301 82 G C 0.536 175.442 174.900 0.010 0.000 1.166 82 G CA 1.132 46.240 45.100 0.013 0.000 0.971 82 G HN 0.667 nan 8.290 nan 0.000 0.542 83 R N 2.518 123.027 120.500 0.016 0.000 2.543 83 R HA 0.615 4.958 4.340 0.005 0.000 0.277 83 R C -1.106 175.208 176.300 0.023 0.000 1.074 83 R CA -0.244 55.867 56.100 0.018 0.000 1.076 83 R CB -1.055 29.259 30.300 0.023 0.000 0.993 83 R HN 0.919 nan 8.270 nan 0.000 0.459 84 P HA 0.109 nan 4.420 nan 0.000 0.271 84 P C -0.303 177.023 177.300 0.044 0.000 1.216 84 P CA -0.038 63.082 63.100 0.033 0.000 0.776 84 P CB 1.135 32.860 31.700 0.041 0.000 0.881 85 S N 0.868 116.598 115.700 0.050 0.000 2.646 85 S HA 0.122 4.595 4.470 0.005 0.000 0.273 85 S C 1.304 175.939 174.600 0.060 0.000 1.168 85 S CA -0.461 57.772 58.200 0.054 0.000 1.013 85 S CB 0.666 63.898 63.200 0.053 0.000 1.098 85 S HN 0.588 nan 8.310 nan 0.000 0.544 86 E N 0.320 120.555 120.200 0.059 0.000 2.106 86 E HA -0.057 4.297 4.350 0.005 0.000 0.192 86 E C 1.924 178.551 176.600 0.046 0.000 0.984 86 E CA 1.125 57.558 56.400 0.055 0.000 0.806 86 E CB -0.957 28.776 29.700 0.056 0.000 0.750 86 E HN 0.830 nan 8.360 nan 0.000 0.458 87 G N 0.551 109.383 108.800 0.053 0.000 2.394 87 G HA2 -0.228 3.735 3.960 0.005 0.000 0.215 87 G HA3 -0.228 3.735 3.960 0.005 0.000 0.215 87 G C 1.263 176.215 174.900 0.086 0.000 1.165 87 G CA 0.532 45.665 45.100 0.054 0.000 0.784 87 G HN 0.267 nan 8.290 nan 0.000 0.535 88 E N 0.140 120.418 120.200 0.130 0.000 2.204 88 E HA -0.096 4.257 4.350 0.005 0.000 0.195 88 E C 2.608 179.332 176.600 0.207 0.000 0.990 88 E CA 1.389 57.934 56.400 0.241 0.000 0.821 88 E CB -0.110 29.686 29.700 0.160 0.000 0.750 88 E HN 0.374 nan 8.360 nan 0.000 0.477 89 T N 1.070 115.685 114.554 0.101 0.000 2.951 89 T HA -0.024 4.329 4.350 0.005 0.000 0.268 89 T C 1.922 176.628 174.700 0.010 0.000 1.073 89 T CA 0.504 62.639 62.100 0.058 0.000 1.134 89 T CB -0.013 68.878 68.868 0.038 0.000 0.884 89 T HN 0.080 nan 8.240 nan 0.000 0.479 90 L N 0.018 121.236 121.223 -0.008 0.000 2.072 90 L HA 0.036 4.379 4.340 0.005 0.000 0.205 90 L C 2.223 179.031 176.870 -0.103 0.000 1.079 90 L CA 0.970 55.778 54.840 -0.055 0.000 0.752 90 L CB -0.500 41.530 42.059 -0.048 0.000 0.906 90 L HN 0.199 nan 8.230 nan 0.000 0.436 91 I N 0.025 120.498 120.570 -0.161 0.000 2.439 91 I HA -0.185 3.988 4.170 0.005 0.000 0.251 91 I C 2.709 178.643 176.117 -0.304 0.000 1.139 91 I CA 1.184 62.272 61.300 -0.354 0.000 1.438 91 I CB -0.574 36.946 38.000 -0.801 0.000 1.085 91 I HN 0.115 nan 8.210 nan 0.000 0.427 92 A N 0.519 123.255 122.820 -0.140 0.000 1.940 92 A HA -0.205 4.118 4.320 0.005 0.000 0.219 92 A C 2.446 180.011 177.584 -0.033 0.000 1.176 92 A CA 1.598 53.627 52.037 -0.014 0.000 0.631 92 A CB -0.533 18.515 19.000 0.080 0.000 0.814 92 A HN 0.328 nan 8.150 nan 0.000 0.446 93 R N -1.548 118.921 120.500 -0.052 0.000 2.119 93 R HA 0.053 4.397 4.340 0.005 0.000 0.222 93 R C 1.857 178.121 176.300 -0.060 0.000 1.088 93 R CA 0.934 57.001 56.100 -0.055 0.000 0.984 93 R CB -0.315 29.936 30.300 -0.080 0.000 0.884 93 R HN 0.448 nan 8.270 nan 0.000 0.447 94 L N 0.562 121.734 121.223 -0.086 0.000 2.376 94 L HA -0.038 4.305 4.340 0.005 0.000 0.219 94 L C 1.640 178.475 176.870 -0.058 0.000 1.133 94 L CA 1.408 56.200 54.840 -0.081 0.000 0.816 94 L CB 0.135 42.127 42.059 -0.112 0.000 0.933 94 L HN 0.123 nan 8.230 nan 0.000 0.449 95 I N -1.802 118.734 120.570 -0.057 0.000 2.731 95 I HA -0.070 4.103 4.170 0.005 0.000 0.260 95 I C 1.934 178.069 176.117 0.030 0.000 1.138 95 I CA 0.540 61.828 61.300 -0.019 0.000 1.461 95 I CB -0.210 37.774 38.000 -0.027 0.000 1.128 95 I HN 0.113 nan 8.210 nan 0.000 0.438 96 D N 1.409 121.826 120.400 0.029 0.000 2.144 96 D HA -0.139 4.504 4.640 0.005 0.000 0.200 96 D C 2.289 178.642 176.300 0.089 0.000 0.978 96 D CA 1.452 55.492 54.000 0.068 0.000 0.833 96 D CB 0.148 40.972 40.800 0.041 0.000 0.961 96 D HN 0.105 nan 8.370 nan 0.000 0.470 97 R N 0.112 120.640 120.500 0.047 0.000 2.066 97 R HA -0.034 4.309 4.340 0.005 0.000 0.232 97 R C -0.518 175.819 176.300 0.061 0.000 1.131 97 R CA 1.719 57.845 56.100 0.044 0.000 0.955 97 R CB -0.978 29.323 30.300 0.002 0.000 0.851 97 R HN 0.363 nan 8.270 nan 0.000 0.432 98 P HA -0.104 nan 4.420 nan 0.000 0.222 98 P C 1.264 178.614 177.300 0.082 0.000 1.153 98 P CA 1.242 64.374 63.100 0.052 0.000 0.798 98 P CB -0.082 31.643 31.700 0.041 0.000 0.796 99 I N -3.201 117.463 120.570 0.158 0.000 2.876 99 I HA 0.117 4.290 4.170 0.005 0.000 0.264 99 I C 2.675 179.008 176.117 0.360 0.000 1.204 99 I CA 0.388 61.854 61.300 0.276 0.000 1.485 99 I CB -0.550 37.666 38.000 0.360 0.000 1.103 99 I HN -0.268 nan 8.210 nan 0.000 0.446 100 R N 1.974 122.679 120.500 0.341 0.000 2.073 100 R HA -0.060 4.283 4.340 0.005 0.000 0.234 100 R C -0.466 176.015 176.300 0.302 0.000 1.134 100 R CA 1.963 58.318 56.100 0.425 0.000 0.952 100 R CB -1.167 29.306 30.300 0.288 0.000 0.850 100 R HN 0.337 nan 8.270 nan 0.000 0.433 101 P HA -0.041 nan 4.420 nan 0.000 0.233 101 P C 0.763 178.025 177.300 -0.062 0.000 1.167 101 P CA 0.887 64.012 63.100 0.041 0.000 0.770 101 P CB 0.064 31.771 31.700 0.011 0.000 0.837 102 L N -2.490 118.635 121.223 -0.164 0.000 2.291 102 L HA 0.011 4.354 4.340 0.005 0.000 0.214 102 L C 0.832 177.388 176.870 -0.524 0.000 1.120 102 L CA 0.255 54.812 54.840 -0.471 0.000 0.799 102 L CB -0.629 40.885 42.059 -0.909 0.000 0.925 102 L HN -0.107 nan 8.230 nan 0.000 0.446 103 F N 0.938 120.721 119.950 -0.280 0.000 2.495 103 F HA 0.160 4.690 4.527 0.005 0.000 0.365 103 F C -1.570 174.011 175.800 -0.365 0.000 1.090 103 F CA -2.258 55.500 58.000 -0.403 0.000 1.235 103 F CB -0.442 38.174 39.000 -0.640 0.000 1.119 103 F HN -0.215 nan 8.300 nan 0.000 0.562 104 P HA -0.058 nan 4.420 nan 0.000 0.267 104 P C -0.586 176.737 177.300 0.037 0.000 1.200 104 P CA -0.264 62.796 63.100 -0.067 0.000 0.772 104 P CB 0.454 32.140 31.700 -0.023 0.000 0.855 105 E N 1.366 121.629 120.200 0.105 0.000 2.299 105 E HA 0.283 4.636 4.350 0.005 0.000 0.272 105 E C 0.887 177.635 176.600 0.247 0.000 1.043 105 E CA 0.521 57.001 56.400 0.133 0.000 0.895 105 E CB -0.631 29.132 29.700 0.104 0.000 1.011 105 E HN 0.731 nan 8.360 nan 0.000 0.432 106 G N 4.296 113.243 108.800 0.246 0.000 2.284 106 G HA2 -0.267 3.696 3.960 0.005 0.000 0.201 106 G HA3 -0.267 3.696 3.960 0.005 0.000 0.201 106 G C -0.163 175.007 174.900 0.450 0.000 0.998 106 G CA -0.217 45.081 45.100 0.331 0.000 0.651 106 G HN 0.554 nan 8.290 nan 0.000 0.489 107 F N 2.668 122.708 119.950 0.149 0.000 2.506 107 F HA 0.476 5.006 4.527 0.005 0.000 0.371 107 F C 1.364 177.172 175.800 0.015 0.000 1.078 107 F CA 0.402 58.345 58.000 -0.096 0.000 1.195 107 F CB 1.490 40.120 39.000 -0.617 0.000 1.099 107 F HN 0.385 nan 8.300 nan 0.000 0.548 108 V N 1.553 121.241 119.914 -0.377 0.000 3.330 108 V HA 0.325 4.448 4.120 0.005 0.000 0.309 108 V C 0.160 176.012 176.094 -0.403 0.000 1.481 108 V CA -0.565 61.606 62.300 -0.215 0.000 1.068 108 V CB -0.671 31.086 31.823 -0.109 0.000 0.935 108 V HN 0.615 nan 8.190 nan 0.000 0.453 109 N N 2.990 121.200 118.700 -0.817 0.000 2.513 109 N HA 0.161 4.904 4.740 0.005 0.000 0.268 109 N C -0.044 175.240 175.510 -0.376 0.000 1.180 109 N CA 0.317 53.035 53.050 -0.554 0.000 0.948 109 N CB 1.112 39.266 38.487 -0.555 0.000 1.083 109 N HN 0.691 nan 8.380 nan 0.000 0.455 110 E N 1.578 121.610 120.200 -0.281 0.000 2.299 110 E HA 0.220 4.574 4.350 0.005 0.000 0.272 110 E C -0.718 175.762 176.600 -0.199 0.000 1.043 110 E CA -0.574 55.646 56.400 -0.300 0.000 0.895 110 E CB 0.433 29.994 29.700 -0.230 0.000 1.011 110 E HN 0.359 nan 8.360 nan 0.000 0.432 111 V N 1.601 121.354 119.914 -0.267 0.000 2.823 111 V HA 0.517 4.640 4.120 0.005 0.000 0.312 111 V C -0.751 175.249 176.094 -0.156 0.000 1.072 111 V CA -1.012 61.197 62.300 -0.152 0.000 0.937 111 V CB 1.689 33.464 31.823 -0.081 0.000 1.013 111 V HN 0.749 nan 8.190 nan 0.000 0.430 112 Q N 2.078 121.827 119.800 -0.085 0.000 2.321 112 Q HA 0.681 5.024 4.340 0.005 0.000 0.270 112 Q C -1.889 174.085 176.000 -0.045 0.000 1.032 112 Q CA -0.652 55.111 55.803 -0.067 0.000 0.784 112 Q CB 2.474 31.181 28.738 -0.052 0.000 1.264 112 Q HN 0.828 nan 8.270 nan 0.000 0.448 113 V N 6.010 125.904 119.914 -0.033 0.000 2.311 113 V HA 0.353 4.476 4.120 0.005 0.000 0.275 113 V C -0.465 175.619 176.094 -0.015 0.000 1.022 113 V CA -0.520 61.762 62.300 -0.029 0.000 0.830 113 V CB 0.803 32.618 31.823 -0.014 0.000 1.012 113 V HN 0.638 nan 8.190 nan 0.000 0.452 114 I N 4.664 125.216 120.570 -0.029 0.000 2.307 114 I HA 0.615 4.788 4.170 0.005 0.000 0.287 114 I C 0.592 176.698 176.117 -0.018 0.000 1.054 114 I CA 0.046 61.340 61.300 -0.011 0.000 1.218 114 I CB 1.347 39.343 38.000 -0.006 0.000 1.398 114 I HN 0.592 nan 8.210 nan 0.000 0.475 115 A N 4.224 127.063 122.820 0.032 0.000 2.271 115 A HA 0.776 5.099 4.320 0.005 0.000 0.317 115 A C -0.071 177.525 177.584 0.020 0.000 1.245 115 A CA -0.461 51.613 52.037 0.061 0.000 0.857 115 A CB 0.965 20.067 19.000 0.169 0.000 1.175 115 A HN 0.539 nan 8.150 nan 0.000 0.512 116 T N 1.918 116.480 114.554 0.014 0.000 2.861 116 T HA 0.491 4.844 4.350 0.005 0.000 0.287 116 T C -0.793 173.886 174.700 -0.035 0.000 1.003 116 T CA -0.331 61.733 62.100 -0.060 0.000 0.977 116 T CB 0.827 69.705 68.868 0.017 0.000 0.996 116 T HN 0.527 nan 8.240 nan 0.000 0.448 117 V N 6.201 126.021 119.914 -0.157 0.000 2.455 117 V HA 0.263 4.386 4.120 0.005 0.000 0.273 117 V C 1.137 177.129 176.094 -0.170 0.000 1.045 117 V CA 0.024 62.255 62.300 -0.114 0.000 0.976 117 V CB 1.060 32.799 31.823 -0.141 0.000 0.993 117 V HN 0.812 nan 8.190 nan 0.000 0.475 118 V N 3.939 123.799 119.914 -0.089 0.000 3.455 118 V HA 0.344 4.467 4.120 0.005 0.000 0.250 118 V C 0.726 176.771 176.094 -0.082 0.000 1.230 118 V CA 1.080 63.322 62.300 -0.097 0.000 1.105 118 V CB 1.290 33.153 31.823 0.067 0.000 0.850 118 V HN 0.790 nan 8.190 nan 0.000 0.461 119 S N -1.037 114.636 115.700 -0.045 0.000 2.546 119 S HA 0.723 5.196 4.470 0.005 0.000 0.274 119 S C -1.675 172.909 174.600 -0.027 0.000 1.121 119 S CA -0.232 57.953 58.200 -0.024 0.000 0.887 119 S CB 1.908 65.116 63.200 0.014 0.000 1.094 119 S HN 0.272 nan 8.310 nan 0.000 0.474 120 V N 3.759 123.658 119.914 -0.025 0.000 2.851 120 V HA 0.596 4.719 4.120 0.005 0.000 0.307 120 V C -1.146 174.940 176.094 -0.012 0.000 1.129 120 V CA -0.744 61.544 62.300 -0.020 0.000 0.932 120 V CB 2.128 33.935 31.823 -0.027 0.000 1.024 120 V HN 0.978 nan 8.190 nan 0.000 0.426 121 N N 7.063 125.755 118.700 -0.014 0.000 2.438 121 N HA 0.581 5.324 4.740 0.005 0.000 0.282 121 N C -1.592 173.911 175.510 -0.013 0.000 1.037 121 N CA -1.832 51.211 53.050 -0.012 0.000 0.942 121 N CB 2.215 40.691 38.487 -0.018 0.000 1.136 121 N HN 0.435 nan 8.380 nan 0.000 0.481 122 P HA -0.137 nan 4.420 nan 0.000 0.228 122 P C 0.175 177.473 177.300 -0.003 0.000 1.151 122 P CA 1.208 64.307 63.100 -0.001 0.000 0.770 122 P CB 0.492 32.194 31.700 0.004 0.000 0.786 123 Q N -0.891 118.904 119.800 -0.009 0.000 2.394 123 Q HA 0.125 4.468 4.340 0.005 0.000 0.218 123 Q C 0.692 176.666 176.000 -0.044 0.000 0.907 123 Q CA 0.452 56.250 55.803 -0.010 0.000 0.919 123 Q CB 0.224 28.968 28.738 0.010 0.000 1.051 123 Q HN 0.160 nan 8.270 nan 0.000 0.538 124 V N 3.038 122.905 119.914 -0.077 0.000 2.432 124 V HA 0.192 4.315 4.120 0.005 0.000 0.275 124 V C 0.234 176.286 176.094 -0.070 0.000 1.043 124 V CA -0.727 61.492 62.300 -0.135 0.000 0.925 124 V CB 1.259 32.963 31.823 -0.198 0.000 0.985 124 V HN 0.159 nan 8.190 nan 0.000 0.466 125 N N 7.139 125.804 118.700 -0.058 0.000 2.444 125 N HA 0.263 5.006 4.740 0.005 0.000 0.271 125 N C -1.464 174.041 175.510 -0.007 0.000 1.069 125 N CA -1.690 51.348 53.050 -0.020 0.000 0.965 125 N CB 2.209 40.688 38.487 -0.012 0.000 1.092 125 N HN 0.352 nan 8.380 nan 0.000 0.476 126 P HA -0.091 nan 4.420 nan 0.000 0.230 126 P C 0.522 177.845 177.300 0.037 0.000 1.158 126 P CA 0.727 63.862 63.100 0.059 0.000 0.769 126 P CB 0.332 32.109 31.700 0.127 0.000 0.807 127 D N 1.711 122.098 120.400 -0.022 0.000 2.117 127 D HA -0.196 4.447 4.640 0.005 0.000 0.197 127 D C 1.766 178.024 176.300 -0.071 0.000 0.987 127 D CA 1.283 55.215 54.000 -0.113 0.000 0.829 127 D CB -1.411 39.319 40.800 -0.117 0.000 0.961 127 D HN 0.295 nan 8.370 nan 0.000 0.460 128 I N -1.255 119.304 120.570 -0.018 0.000 2.617 128 I HA -0.038 4.136 4.170 0.005 0.000 0.256 128 I C 2.197 178.329 176.117 0.025 0.000 1.167 128 I CA 0.261 61.571 61.300 0.015 0.000 1.469 128 I CB -0.597 37.439 38.000 0.059 0.000 1.098 128 I HN -0.125 nan 8.210 nan 0.000 0.436 129 V N 1.718 121.647 119.914 0.025 0.000 2.427 129 V HA -0.137 3.986 4.120 0.005 0.000 0.248 129 V C 2.949 179.064 176.094 0.035 0.000 1.051 129 V CA 1.789 64.109 62.300 0.033 0.000 1.048 129 V CB -1.276 30.567 31.823 0.034 0.000 0.666 129 V HN 0.590 nan 8.190 nan 0.000 0.456 130 A N -0.588 122.254 122.820 0.037 0.000 1.968 130 A HA -0.128 4.195 4.320 0.005 0.000 0.217 130 A C 2.216 179.803 177.584 0.005 0.000 1.169 130 A CA 1.725 53.790 52.037 0.048 0.000 0.638 130 A CB -0.430 18.622 19.000 0.086 0.000 0.812 130 A HN 0.496 nan 8.150 nan 0.000 0.446 131 M N -0.808 118.784 119.600 -0.013 0.000 2.200 131 M HA 0.004 4.487 4.480 0.005 0.000 0.265 131 M C 1.884 178.179 176.300 -0.008 0.000 1.066 131 M CA 1.253 56.545 55.300 -0.014 0.000 1.127 131 M CB -0.369 32.222 32.600 -0.014 0.000 1.379 131 M HN 0.373 nan 8.290 nan 0.000 0.420 132 I N -0.323 120.245 120.570 -0.002 0.000 2.353 132 I HA -0.134 4.039 4.170 0.005 0.000 0.248 132 I C 2.573 178.683 176.117 -0.011 0.000 1.119 132 I CA 1.209 62.507 61.300 -0.003 0.000 1.417 132 I CB -0.847 37.162 38.000 0.015 0.000 1.078 132 I HN 0.338 nan 8.210 nan 0.000 0.421 133 G N 0.583 109.377 108.800 -0.010 0.000 2.418 133 G HA2 -0.217 3.746 3.960 0.005 0.000 0.217 133 G HA3 -0.217 3.746 3.960 0.005 0.000 0.217 133 G C 1.845 176.702 174.900 -0.072 0.000 1.158 133 G CA 0.818 45.899 45.100 -0.032 0.000 0.771 133 G HN 0.480 nan 8.290 nan 0.000 0.545 134 A N 0.332 123.113 122.820 -0.066 0.000 1.929 134 A HA 0.095 4.418 4.320 0.005 0.000 0.216 134 A C 2.588 180.077 177.584 -0.158 0.000 1.176 134 A CA 2.059 54.034 52.037 -0.102 0.000 0.628 134 A CB -0.619 18.344 19.000 -0.061 0.000 0.816 134 A HN 0.390 nan 8.150 nan 0.000 0.444 135 S N -0.457 115.186 115.700 -0.095 0.000 2.383 135 S HA 0.019 4.492 4.470 0.005 0.000 0.227 135 S C 2.108 176.646 174.600 -0.104 0.000 1.026 135 S CA 1.429 59.585 58.200 -0.074 0.000 0.981 135 S CB -0.358 62.844 63.200 0.003 0.000 0.818 135 S HN 0.738 nan 8.310 nan 0.000 0.472 136 A N 0.998 123.765 122.820 -0.088 0.000 1.897 136 A HA 0.373 4.696 4.320 0.005 0.000 0.215 136 A C 2.394 179.908 177.584 -0.116 0.000 1.181 136 A CA 1.485 53.476 52.037 -0.078 0.000 0.620 136 A CB -1.176 17.800 19.000 -0.040 0.000 0.821 136 A HN 0.672 nan 8.150 nan 0.000 0.443 137 A N -0.328 122.402 122.820 -0.150 0.000 1.930 137 A HA 0.047 4.370 4.320 0.005 0.000 0.217 137 A C 2.091 179.539 177.584 -0.227 0.000 1.175 137 A CA 1.324 53.260 52.037 -0.167 0.000 0.627 137 A CB -0.535 18.360 19.000 -0.175 0.000 0.815 137 A HN 0.436 nan 8.150 nan 0.000 0.443 138 L N -0.367 120.635 121.223 -0.368 0.000 2.217 138 L HA -0.094 4.249 4.340 0.005 0.000 0.211 138 L C 2.516 179.106 176.870 -0.465 0.000 1.107 138 L CA 1.168 55.650 54.840 -0.598 0.000 0.783 138 L CB -0.093 41.190 42.059 -1.293 0.000 0.919 138 L HN 0.301 nan 8.230 nan 0.000 0.442 139 S N -0.551 114.985 115.700 -0.273 0.000 2.446 139 S HA 0.070 4.543 4.470 0.005 0.000 0.225 139 S C 1.739 176.295 174.600 -0.074 0.000 1.016 139 S CA 0.570 58.715 58.200 -0.092 0.000 0.943 139 S CB 0.090 63.276 63.200 -0.024 0.000 0.786 139 S HN 0.293 nan 8.310 nan 0.000 0.508 140 L N 1.673 122.844 121.223 -0.087 0.000 2.567 140 L HA 0.086 4.429 4.340 0.005 0.000 0.225 140 L C 2.349 179.200 176.870 -0.032 0.000 1.119 140 L CA 0.405 55.218 54.840 -0.045 0.000 0.871 140 L CB -0.274 41.762 42.059 -0.039 0.000 1.036 140 L HN 0.355 nan 8.230 nan 0.000 0.459 141 S N -0.675 114.982 115.700 -0.072 0.000 2.377 141 S HA 0.045 4.518 4.470 0.005 0.000 0.223 141 S C 1.742 176.353 174.600 0.019 0.000 1.030 141 S CA 0.890 59.064 58.200 -0.043 0.000 0.970 141 S CB 0.064 63.188 63.200 -0.127 0.000 0.830 141 S HN 0.445 nan 8.310 nan 0.000 0.473 142 G N 1.054 109.822 108.800 -0.053 0.000 2.238 142 G HA2 -0.182 3.781 3.960 0.005 0.000 0.217 142 G HA3 -0.182 3.781 3.960 0.005 0.000 0.217 142 G C 0.068 174.802 174.900 -0.277 0.000 0.996 142 G CA -0.155 44.962 45.100 0.028 0.000 0.632 142 G HN 0.572 nan 8.290 nan 0.000 0.503 143 I N 3.825 123.982 120.570 -0.688 0.000 2.668 143 I HA 0.196 4.369 4.170 0.005 0.000 0.285 143 I C -1.429 174.350 176.117 -0.563 0.000 1.168 143 I CA -1.448 59.237 61.300 -1.025 0.000 1.424 143 I CB 0.381 37.882 38.000 -0.832 0.000 1.377 143 I HN -0.055 nan 8.210 nan 0.000 0.560 144 P HA -0.106 nan 4.420 nan 0.000 0.251 144 P C -0.811 176.227 177.300 -0.436 0.000 1.154 144 P CA 0.735 63.536 63.100 -0.498 0.000 0.805 144 P CB -0.175 31.044 31.700 -0.801 0.000 0.759 145 F N 4.154 123.808 119.950 -0.495 0.000 2.653 145 F HA 0.286 4.816 4.527 0.005 0.000 0.327 145 F C 0.148 175.719 175.800 -0.382 0.000 1.195 145 F CA -0.853 56.799 58.000 -0.579 0.000 0.993 145 F CB 1.299 39.952 39.000 -0.578 0.000 1.259 145 F HN -0.013 nan 8.300 nan 0.000 0.478 146 N N 3.789 122.006 118.700 -0.806 0.000 2.410 146 N HA 0.164 4.907 4.740 0.005 0.000 0.231 146 N C 0.682 175.819 175.510 -0.621 0.000 1.172 146 N CA 0.336 53.052 53.050 -0.555 0.000 0.849 146 N CB 0.430 38.673 38.487 -0.406 0.000 1.116 146 N HN 0.792 nan 8.380 nan 0.000 0.485 147 G N 0.874 109.189 108.800 -0.809 0.000 2.666 147 G HA2 0.368 4.332 3.960 0.005 0.000 0.207 147 G HA3 0.368 4.332 3.960 0.005 0.000 0.207 147 G C -2.229 172.575 174.900 -0.160 0.000 1.481 147 G CA -0.412 44.412 45.100 -0.460 0.000 1.071 147 G HN 0.113 nan 8.290 nan 0.000 0.572 148 P HA 0.467 nan 4.420 nan 0.000 0.281 148 P C -0.502 176.784 177.300 -0.024 0.000 1.281 148 P CA -0.553 62.575 63.100 0.046 0.000 0.811 148 P CB 1.173 32.888 31.700 0.025 0.000 1.154 149 I N -3.263 117.319 120.570 0.020 0.000 2.797 149 I HA 0.864 5.037 4.170 0.005 0.000 0.307 149 I C 0.050 176.142 176.117 -0.041 0.000 1.033 149 I CA -1.046 60.243 61.300 -0.019 0.000 1.071 149 I CB 2.081 40.088 38.000 0.011 0.000 1.255 149 I HN 0.296 nan 8.210 nan 0.000 0.445 150 G N 2.145 110.906 108.800 -0.065 0.000 2.441 150 G HA2 0.754 4.717 3.960 0.005 0.000 0.334 150 G HA3 0.754 4.717 3.960 0.005 0.000 0.334 150 G C -1.330 173.546 174.900 -0.040 0.000 1.161 150 G CA -0.865 44.180 45.100 -0.092 0.000 0.935 150 G HN 1.000 nan 8.290 nan 0.000 0.488 151 A N -0.224 122.575 122.820 -0.035 0.000 2.330 151 A HA 0.892 5.215 4.320 0.005 0.000 0.313 151 A C -0.155 177.508 177.584 0.133 0.000 1.124 151 A CA -0.173 51.886 52.037 0.037 0.000 0.774 151 A CB 1.434 20.453 19.000 0.032 0.000 1.198 151 A HN 1.995 nan 8.150 nan 0.000 0.465 152 A N 2.473 125.386 122.820 0.155 0.000 2.427 152 A HA 0.757 5.080 4.320 0.005 0.000 0.298 152 A C -0.438 177.238 177.584 0.153 0.000 1.036 152 A CA -0.586 51.587 52.037 0.226 0.000 0.701 152 A CB 1.121 20.256 19.000 0.226 0.000 1.250 152 A HN 0.859 nan 8.150 nan 0.000 0.412 153 R N 1.974 122.560 120.500 0.143 0.000 2.255 153 R HA 0.599 4.942 4.340 0.005 0.000 0.326 153 R C -1.448 174.942 176.300 0.150 0.000 0.986 153 R CA -0.270 55.900 56.100 0.117 0.000 0.847 153 R CB 1.185 31.536 30.300 0.085 0.000 1.111 153 R HN 0.494 nan 8.270 nan 0.000 0.452 154 V N 4.029 124.044 119.914 0.169 0.000 2.370 154 V HA 0.514 4.637 4.120 0.005 0.000 0.283 154 V C 0.663 176.869 176.094 0.186 0.000 1.023 154 V CA -0.614 61.828 62.300 0.236 0.000 0.857 154 V CB 1.498 33.496 31.823 0.292 0.000 0.985 154 V HN 0.955 nan 8.190 nan 0.000 0.443 155 G N 2.496 111.403 108.800 0.178 0.000 2.509 155 G HA2 0.557 4.520 3.960 0.005 0.000 0.328 155 G HA3 0.557 4.520 3.960 0.005 0.000 0.328 155 G C -1.722 173.282 174.900 0.173 0.000 1.194 155 G CA -0.447 44.738 45.100 0.141 0.000 0.967 155 G HN 0.580 nan 8.290 nan 0.000 0.488 156 Y N 0.762 121.039 120.300 -0.037 0.000 2.609 156 Y HA 0.497 5.050 4.550 0.005 0.000 0.350 156 Y C -0.572 175.257 175.900 -0.118 0.000 1.050 156 Y CA -0.847 57.179 58.100 -0.123 0.000 1.290 156 Y CB 0.542 38.931 38.460 -0.119 0.000 1.094 156 Y HN 0.326 nan 8.280 nan 0.000 0.583 157 I N 4.549 124.945 120.570 -0.290 0.000 2.354 157 I HA 0.270 4.443 4.170 0.005 0.000 0.292 157 I C -0.238 175.670 176.117 -0.348 0.000 0.989 157 I CA -0.894 60.267 61.300 -0.233 0.000 1.188 157 I CB 1.179 39.104 38.000 -0.126 0.000 1.342 157 I HN 0.523 nan 8.210 nan 0.000 0.457 158 N N 5.398 123.926 118.700 -0.286 0.000 2.714 158 N HA -0.211 4.533 4.740 0.005 0.000 0.253 158 N C -0.293 174.981 175.510 -0.394 0.000 1.024 158 N CA 1.031 53.923 53.050 -0.262 0.000 0.726 158 N CB -0.922 37.460 38.487 -0.176 0.000 0.908 158 N HN 0.812 nan 8.380 nan 0.000 0.542 159 D N -2.315 117.717 120.400 -0.613 0.000 3.077 159 D HA -0.195 4.448 4.640 0.005 0.000 0.217 159 D C -0.217 175.516 176.300 -0.944 0.000 1.162 159 D CA 1.307 54.865 54.000 -0.736 0.000 0.943 159 D CB -0.387 40.253 40.800 -0.267 0.000 1.122 159 D HN 0.524 nan 8.370 nan 0.000 0.413 160 Q N -0.545 118.662 119.800 -0.989 0.000 2.365 160 Q HA 0.399 4.742 4.340 0.005 0.000 0.269 160 Q C -0.367 175.174 176.000 -0.766 0.000 1.061 160 Q CA -0.606 54.765 55.803 -0.720 0.000 0.816 160 Q CB 1.167 29.684 28.738 -0.369 0.000 1.325 160 Q HN 0.171 nan 8.270 nan 0.000 0.446 161 Y N 0.124 120.149 120.300 -0.458 0.000 2.335 161 Y HA 0.335 4.887 4.550 0.005 0.000 0.331 161 Y C 0.426 176.027 175.900 -0.499 0.000 1.094 161 Y CA -0.520 57.213 58.100 -0.612 0.000 1.253 161 Y CB 0.857 38.503 38.460 -1.357 0.000 1.203 161 Y HN 0.146 nan 8.280 nan 0.000 0.508 162 V N 5.435 125.313 119.914 -0.060 0.000 2.448 162 V HA 0.239 4.362 4.120 0.005 0.000 0.295 162 V C -0.548 175.704 176.094 0.263 0.000 1.025 162 V CA -0.952 61.404 62.300 0.094 0.000 0.859 162 V CB 1.686 33.528 31.823 0.031 0.000 0.988 162 V HN 0.538 nan 8.190 nan 0.000 0.431 163 L N 5.770 127.187 121.223 0.322 0.000 2.319 163 L HA 0.510 4.853 4.340 0.005 0.000 0.280 163 L C 0.505 177.416 176.870 0.067 0.000 1.099 163 L CA 0.473 55.440 54.840 0.211 0.000 0.828 163 L CB 0.125 42.211 42.059 0.044 0.000 1.150 163 L HN 0.774 nan 8.230 nan 0.000 0.442 164 N N 3.464 122.202 118.700 0.064 0.000 2.586 164 N HA -0.149 4.594 4.740 0.005 0.000 0.282 164 N C -2.466 173.108 175.510 0.107 0.000 1.171 164 N CA 0.396 53.487 53.050 0.068 0.000 0.733 164 N CB -1.069 37.440 38.487 0.038 0.000 0.910 164 N HN 0.458 nan 8.380 nan 0.000 0.548 165 P HA 0.177 nan 4.420 nan 0.000 0.284 165 P C 0.440 177.777 177.300 0.062 0.000 1.253 165 P CA -0.281 62.864 63.100 0.076 0.000 0.800 165 P CB 0.671 32.408 31.700 0.062 0.000 0.961 166 T N -0.391 114.202 114.554 0.065 0.000 2.788 166 T HA 0.059 4.412 4.350 0.005 0.000 0.287 166 T C 1.293 176.010 174.700 0.027 0.000 1.007 166 T CA -0.461 61.664 62.100 0.042 0.000 1.005 166 T CB 0.322 69.225 68.868 0.058 0.000 1.012 166 T HN 0.259 nan 8.240 nan 0.000 0.530 167 Q N 0.391 120.201 119.800 0.017 0.000 2.226 167 Q HA -0.099 4.244 4.340 0.005 0.000 0.204 167 Q C 1.584 177.595 176.000 0.018 0.000 0.975 167 Q CA 1.383 57.195 55.803 0.016 0.000 0.866 167 Q CB -0.341 28.404 28.738 0.012 0.000 0.915 167 Q HN 0.698 nan 8.270 nan 0.000 0.440 168 D N 0.369 120.780 120.400 0.019 0.000 2.213 168 D HA -0.068 4.575 4.640 0.005 0.000 0.205 168 D C 1.370 177.680 176.300 0.016 0.000 0.961 168 D CA 0.555 54.565 54.000 0.016 0.000 0.853 168 D CB 0.129 40.938 40.800 0.016 0.000 0.967 168 D HN 0.403 nan 8.370 nan 0.000 0.496 169 E N 0.144 120.356 120.200 0.020 0.000 2.358 169 E HA 0.032 4.385 4.350 0.005 0.000 0.195 169 E C 1.969 178.580 176.600 0.019 0.000 1.010 169 E CA 0.032 56.443 56.400 0.018 0.000 0.856 169 E CB 0.158 29.873 29.700 0.025 0.000 0.795 169 E HN 0.239 nan 8.360 nan 0.000 0.504 170 L N 0.800 122.036 121.223 0.023 0.000 2.376 170 L HA -0.115 4.229 4.340 0.005 0.000 0.219 170 L C 2.062 178.945 176.870 0.021 0.000 1.133 170 L CA 0.858 55.714 54.840 0.026 0.000 0.816 170 L CB -0.103 41.972 42.059 0.027 0.000 0.933 170 L HN 0.014 nan 8.230 nan 0.000 0.449 171 K N -0.304 120.105 120.400 0.016 0.000 2.211 171 K HA -0.108 4.215 4.320 0.005 0.000 0.203 171 K C 1.740 178.345 176.600 0.009 0.000 1.050 171 K CA 0.799 57.094 56.287 0.013 0.000 0.945 171 K CB 0.113 32.620 32.500 0.011 0.000 0.732 171 K HN 0.238 nan 8.250 nan 0.000 0.451 172 E N 0.499 120.702 120.200 0.005 0.000 2.318 172 E HA 0.008 4.361 4.350 0.005 0.000 0.193 172 E C 0.621 177.222 176.600 0.001 0.000 0.998 172 E CA 0.160 56.558 56.400 -0.003 0.000 0.859 172 E CB 0.283 29.975 29.700 -0.014 0.000 0.812 172 E HN -0.004 nan 8.360 nan 0.000 0.492 173 S N 0.666 116.375 115.700 0.014 0.000 2.576 173 S HA 0.056 4.529 4.470 0.005 0.000 0.276 173 S C 0.834 175.466 174.600 0.053 0.000 1.339 173 S CA -0.202 58.019 58.200 0.036 0.000 1.039 173 S CB 0.918 64.147 63.200 0.048 0.000 0.902 173 S HN -0.137 nan 8.310 nan 0.000 0.516 174 K N 2.562 123.020 120.400 0.096 0.000 2.373 174 K HA 0.366 4.689 4.320 0.005 0.000 0.202 174 K C -0.355 176.277 176.600 0.053 0.000 1.025 174 K CA -0.257 56.077 56.287 0.078 0.000 1.115 174 K CB -0.158 32.404 32.500 0.104 0.000 0.858 174 K HN 0.562 nan 8.250 nan 0.000 0.525 175 L N 0.428 121.697 121.223 0.076 0.000 2.482 175 L HA 0.607 4.950 4.340 0.005 0.000 0.263 175 L C -2.308 174.600 176.870 0.063 0.000 0.957 175 L CA -0.438 54.430 54.840 0.047 0.000 0.836 175 L CB 2.547 44.623 42.059 0.029 0.000 1.324 175 L HN -0.041 nan 8.230 nan 0.000 0.406 176 D N 4.145 124.569 120.400 0.040 0.000 2.336 176 D HA 0.488 5.132 4.640 0.005 0.000 0.248 176 D C -1.683 174.637 176.300 0.032 0.000 1.326 176 D CA -0.121 53.905 54.000 0.043 0.000 0.973 176 D CB 0.869 41.687 40.800 0.030 0.000 1.255 176 D HN 0.582 nan 8.370 nan 0.000 0.558 177 L N 0.784 122.037 121.223 0.051 0.000 2.354 177 L HA 0.843 5.186 4.340 0.005 0.000 0.269 177 L C -1.228 175.674 176.870 0.052 0.000 1.005 177 L CA -1.003 53.861 54.840 0.040 0.000 0.819 177 L CB 2.077 44.162 42.059 0.042 0.000 1.311 177 L HN -0.038 nan 8.230 nan 0.000 0.423 178 V N 3.346 123.279 119.914 0.032 0.000 2.313 178 V HA 0.476 4.599 4.120 0.005 0.000 0.278 178 V C -0.097 176.021 176.094 0.039 0.000 1.017 178 V CA -0.570 61.752 62.300 0.037 0.000 0.823 178 V CB 1.300 33.130 31.823 0.011 0.000 1.010 178 V HN 0.709 nan 8.190 nan 0.000 0.443 179 V N 5.227 125.180 119.914 0.064 0.000 2.481 179 V HA 0.926 5.049 4.120 0.005 0.000 0.286 179 V C 0.238 176.372 176.094 0.067 0.000 1.042 179 V CA 0.064 62.406 62.300 0.069 0.000 0.928 179 V CB 1.530 33.410 31.823 0.095 0.000 0.986 179 V HN 1.037 nan 8.190 nan 0.000 0.462 180 A N 4.502 127.358 122.820 0.060 0.000 2.449 180 A HA 1.031 5.354 4.320 0.005 0.000 0.302 180 A C -0.159 177.466 177.584 0.068 0.000 1.048 180 A CA 0.050 52.118 52.037 0.052 0.000 0.708 180 A CB 1.919 20.937 19.000 0.031 0.000 1.274 180 A HN 1.919 nan 8.150 nan 0.000 0.410 181 G N -0.145 108.694 108.800 0.066 0.000 2.338 181 G HA2 0.613 4.577 3.960 0.005 0.000 0.295 181 G HA3 0.613 4.577 3.960 0.005 0.000 0.295 181 G C -0.307 174.614 174.900 0.035 0.000 1.461 181 G CA 0.263 45.411 45.100 0.080 0.000 0.817 181 G HN 1.445 nan 8.290 nan 0.000 0.556 182 T N -1.989 112.577 114.554 0.021 0.000 2.753 182 T HA 0.363 4.716 4.350 0.005 0.000 0.309 182 T C 1.302 175.986 174.700 -0.028 0.000 1.043 182 T CA 0.647 62.725 62.100 -0.037 0.000 0.964 182 T CB 1.319 70.141 68.868 -0.077 0.000 1.206 182 T HN 0.692 nan 8.240 nan 0.000 0.528 183 E N -0.058 120.100 120.200 -0.070 0.000 2.150 183 E HA -0.082 4.271 4.350 0.005 0.000 0.193 183 E C 2.107 178.701 176.600 -0.010 0.000 0.985 183 E CA 0.965 57.312 56.400 -0.089 0.000 0.814 183 E CB -0.422 29.224 29.700 -0.089 0.000 0.752 183 E HN 0.723 nan 8.360 nan 0.000 0.466 184 A N 0.326 123.159 122.820 0.021 0.000 1.973 184 A HA 0.499 4.822 4.320 0.005 0.000 0.210 184 A C 0.925 178.552 177.584 0.072 0.000 1.200 184 A CA 0.654 52.713 52.037 0.038 0.000 0.707 184 A CB 0.320 19.312 19.000 -0.014 0.000 0.862 184 A HN 0.277 nan 8.150 nan 0.000 0.461 185 A N -1.004 121.862 122.820 0.076 0.000 2.515 185 A HA 0.626 4.950 4.320 0.005 0.000 0.296 185 A C -0.470 177.124 177.584 0.016 0.000 1.094 185 A CA -0.447 51.579 52.037 -0.018 0.000 0.718 185 A CB 0.890 19.855 19.000 -0.059 0.000 1.307 185 A HN 0.408 nan 8.150 nan 0.000 0.408 186 V N 1.350 121.167 119.914 -0.163 0.000 3.083 186 V HA 0.405 4.528 4.120 0.005 0.000 0.306 186 V C 0.797 176.873 176.094 -0.031 0.000 1.077 186 V CA -0.114 62.134 62.300 -0.087 0.000 1.073 186 V CB 0.876 32.595 31.823 -0.173 0.000 1.081 186 V HN 0.883 nan 8.190 nan 0.000 0.474 187 L N 1.198 122.423 121.223 0.003 0.000 3.517 187 L HA 0.527 4.870 4.340 0.005 0.000 0.192 187 L C 1.095 177.973 176.870 0.013 0.000 1.303 187 L CA 0.363 55.203 54.840 0.000 0.000 1.685 187 L CB 0.079 42.137 42.059 -0.002 0.000 1.877 187 L HN 0.677 nan 8.230 nan 0.000 0.882 188 M N -0.010 119.600 119.600 0.016 0.000 2.219 188 M HA 0.664 5.147 4.480 0.005 0.000 0.280 188 M C -0.423 175.884 176.300 0.013 0.000 1.189 188 M CA -0.307 55.000 55.300 0.012 0.000 1.010 188 M CB 0.794 33.397 32.600 0.005 0.000 1.422 188 M HN 0.115 nan 8.290 nan 0.000 0.504 189 V N 0.455 120.367 119.914 -0.004 0.000 2.859 189 V HA 0.359 4.482 4.120 0.005 0.000 0.257 189 V C -1.346 174.723 176.094 -0.041 0.000 1.691 189 V CA -0.867 61.428 62.300 -0.009 0.000 0.901 189 V CB 1.727 33.553 31.823 0.005 0.000 1.246 189 V HN 1.097 nan 8.190 nan 0.000 0.466 190 E N 2.707 122.884 120.200 -0.037 0.000 2.241 190 E HA 0.845 5.198 4.350 0.005 0.000 0.263 190 E C -0.212 176.362 176.600 -0.044 0.000 0.882 190 E CA 0.346 56.713 56.400 -0.056 0.000 0.769 190 E CB 2.005 31.670 29.700 -0.059 0.000 1.185 190 E HN 1.014 nan 8.360 nan 0.000 0.415 191 S N 2.942 118.607 115.700 -0.058 0.000 2.811 191 S HA 0.772 5.245 4.470 0.005 0.000 0.311 191 S C -0.758 173.812 174.600 -0.050 0.000 1.152 191 S CA -0.676 57.498 58.200 -0.043 0.000 0.864 191 S CB 1.748 64.920 63.200 -0.046 0.000 1.226 191 S HN 0.451 nan 8.310 nan 0.000 0.541 192 E N -0.929 119.248 120.200 -0.038 0.000 2.647 192 E HA 0.540 4.894 4.350 0.005 0.000 0.320 192 E C -1.873 174.709 176.600 -0.030 0.000 0.951 192 E CA -0.587 55.791 56.400 -0.036 0.000 0.809 192 E CB 1.112 30.799 29.700 -0.023 0.000 1.295 192 E HN 1.325 nan 8.360 nan 0.000 0.407 193 A N 4.118 126.914 122.820 -0.040 0.000 2.485 193 A HA 0.372 4.695 4.320 0.005 0.000 0.285 193 A C -1.094 176.461 177.584 -0.048 0.000 1.045 193 A CA -0.696 51.312 52.037 -0.049 0.000 0.792 193 A CB 1.660 20.615 19.000 -0.075 0.000 1.307 193 A HN 0.512 nan 8.150 nan 0.000 0.406 194 Q N 1.523 121.301 119.800 -0.035 0.000 2.546 194 Q HA 0.393 4.737 4.340 0.005 0.000 0.237 194 Q C -0.347 175.629 176.000 -0.039 0.000 1.333 194 Q CA 0.306 56.090 55.803 -0.031 0.000 0.877 194 Q CB -0.853 27.876 28.738 -0.015 0.000 1.629 194 Q HN 0.750 nan 8.270 nan 0.000 0.549 195 L N 1.403 122.598 121.223 -0.046 0.000 3.746 195 L HA -0.273 4.070 4.340 0.005 0.000 0.542 195 L C -0.838 176.000 176.870 -0.054 0.000 1.268 195 L CA 0.798 55.611 54.840 -0.045 0.000 0.818 195 L CB -1.538 40.500 42.059 -0.035 0.000 1.472 195 L HN 0.542 nan 8.230 nan 0.000 0.843 196 L N -0.465 120.711 121.223 -0.077 0.000 2.360 196 L HA 0.625 4.968 4.340 0.005 0.000 0.271 196 L C 1.144 177.967 176.870 -0.078 0.000 1.057 196 L CA -0.332 54.443 54.840 -0.109 0.000 0.803 196 L CB 1.717 43.657 42.059 -0.198 0.000 1.207 196 L HN 0.506 nan 8.230 nan 0.000 0.445 197 S N 0.340 115.999 115.700 -0.069 0.000 2.617 197 S HA 0.102 4.575 4.470 0.005 0.000 0.259 197 S C 0.726 175.312 174.600 -0.025 0.000 1.301 197 S CA -0.523 57.656 58.200 -0.034 0.000 0.984 197 S CB 0.975 64.164 63.200 -0.018 0.000 0.954 197 S HN 0.625 nan 8.310 nan 0.000 0.572 198 E N 0.702 120.902 120.200 0.001 0.000 2.077 198 E HA -0.091 4.262 4.350 0.005 0.000 0.193 198 E C 1.430 178.045 176.600 0.025 0.000 0.989 198 E CA 1.540 57.952 56.400 0.019 0.000 0.800 198 E CB -0.216 29.503 29.700 0.032 0.000 0.746 198 E HN 0.637 nan 8.360 nan 0.000 0.452 199 D N 0.238 120.654 120.400 0.026 0.000 2.224 199 D HA -0.112 4.531 4.640 0.005 0.000 0.205 199 D C 1.759 178.097 176.300 0.063 0.000 0.965 199 D CA 0.763 54.788 54.000 0.042 0.000 0.852 199 D CB -0.019 40.808 40.800 0.045 0.000 0.947 199 D HN 0.290 nan 8.370 nan 0.000 0.494 200 Q N -0.486 119.333 119.800 0.032 0.000 2.123 200 Q HA 0.002 4.345 4.340 0.005 0.000 0.199 200 Q C 2.099 178.112 176.000 0.023 0.000 0.966 200 Q CA 0.709 56.524 55.803 0.020 0.000 0.845 200 Q CB 0.129 28.757 28.738 -0.182 0.000 0.907 200 Q HN 0.182 nan 8.270 nan 0.000 0.439 201 M N -0.055 119.535 119.600 -0.015 0.000 2.288 201 M HA -0.065 4.418 4.480 0.005 0.000 0.266 201 M C 2.099 178.416 176.300 0.029 0.000 1.072 201 M CA 0.888 56.185 55.300 -0.006 0.000 1.132 201 M CB -0.635 31.953 32.600 -0.019 0.000 1.386 201 M HN 0.236 nan 8.290 nan 0.000 0.432 202 L N 0.438 121.685 121.223 0.039 0.000 2.072 202 L HA 0.088 4.431 4.340 0.005 0.000 0.205 202 L C 2.262 179.137 176.870 0.008 0.000 1.079 202 L CA 1.861 56.724 54.840 0.038 0.000 0.752 202 L CB -1.216 40.865 42.059 0.036 0.000 0.906 202 L HN 0.275 nan 8.230 nan 0.000 0.436 203 G N -1.134 107.669 108.800 0.005 0.000 2.443 203 G HA2 -0.172 3.791 3.960 0.005 0.000 0.219 203 G HA3 -0.172 3.791 3.960 0.005 0.000 0.219 203 G C 1.534 176.269 174.900 -0.275 0.000 1.131 203 G CA 0.640 45.693 45.100 -0.078 0.000 0.775 203 G HN 0.599 nan 8.290 nan 0.000 0.547 204 A N 0.111 122.822 122.820 -0.182 0.000 1.968 204 A HA 0.202 4.525 4.320 0.005 0.000 0.217 204 A C 2.519 180.120 177.584 0.029 0.000 1.169 204 A CA 1.420 53.372 52.037 -0.142 0.000 0.638 204 A CB -0.293 18.778 19.000 0.118 0.000 0.812 204 A HN 0.214 nan 8.150 nan 0.000 0.446 205 V N -0.310 119.620 119.914 0.028 0.000 2.358 205 V HA -0.192 3.931 4.120 0.005 0.000 0.246 205 V C 2.531 178.660 176.094 0.058 0.000 1.047 205 V CA 1.917 64.248 62.300 0.051 0.000 1.035 205 V CB -0.679 31.165 31.823 0.036 0.000 0.658 205 V HN 0.367 nan 8.190 nan 0.000 0.452 206 V N -0.490 119.437 119.914 0.023 0.000 2.427 206 V HA -0.235 3.888 4.120 0.005 0.000 0.248 206 V C 2.157 178.292 176.094 0.069 0.000 1.051 206 V CA 2.171 64.492 62.300 0.035 0.000 1.048 206 V CB -0.805 31.019 31.823 0.001 0.000 0.666 206 V HN 0.552 nan 8.190 nan 0.000 0.456 207 F N 2.305 122.176 119.950 -0.132 0.000 2.069 207 F HA -0.086 4.443 4.527 0.004 0.000 0.298 207 F C 2.215 178.003 175.800 -0.021 0.000 1.113 207 F CA 1.945 59.862 58.000 -0.137 0.000 1.214 207 F CB -0.833 37.962 39.000 -0.340 0.000 0.978 207 F HN 0.143 nan 8.300 nan 0.000 0.474 208 G N -1.307 107.530 108.800 0.062 0.000 2.422 208 G HA2 -0.267 3.696 3.960 0.005 0.000 0.218 208 G HA3 -0.267 3.696 3.960 0.005 0.000 0.218 208 G C 1.765 176.673 174.900 0.013 0.000 1.140 208 G CA 0.847 45.959 45.100 0.020 0.000 0.775 208 G HN 0.564 nan 8.290 nan 0.000 0.545 209 H N 0.715 119.760 119.070 -0.042 0.000 2.389 209 H HA 0.052 4.611 4.556 0.005 0.000 0.299 209 H C 2.179 177.467 175.328 -0.068 0.000 1.081 209 H CA 1.490 57.513 56.048 -0.042 0.000 1.345 209 H CB 0.230 29.973 29.762 -0.033 0.000 1.393 209 H HN 0.454 nan 8.280 nan 0.000 0.520 210 E N -0.183 119.963 120.200 -0.089 0.000 2.158 210 E HA -0.097 4.257 4.350 0.005 0.000 0.191 210 E C 2.277 178.773 176.600 -0.174 0.000 0.982 210 E CA 0.240 56.555 56.400 -0.141 0.000 0.823 210 E CB 0.294 29.939 29.700 -0.092 0.000 0.766 210 E HN 0.448 nan 8.360 nan 0.000 0.468 211 Q N 0.361 120.035 119.800 -0.211 0.000 2.245 211 Q HA -0.117 4.226 4.340 0.005 0.000 0.201 211 Q C 1.868 177.935 176.000 0.111 0.000 0.955 211 Q CA 0.911 56.640 55.803 -0.123 0.000 0.870 211 Q CB 0.104 28.665 28.738 -0.296 0.000 0.945 211 Q HN 0.501 nan 8.270 nan 0.000 0.461 212 Q N -0.546 119.262 119.800 0.014 0.000 2.444 212 Q HA 0.015 4.359 4.340 0.005 0.000 0.206 212 Q C 1.326 177.212 176.000 -0.189 0.000 0.948 212 Q CA 0.157 55.922 55.803 -0.064 0.000 0.946 212 Q CB 0.183 28.886 28.738 -0.058 0.000 1.027 212 Q HN 0.122 nan 8.270 nan 0.000 0.513 213 Q N 0.913 120.606 119.800 -0.178 0.000 2.167 213 Q HA -0.094 4.249 4.340 0.005 0.000 0.202 213 Q C 2.357 178.247 176.000 -0.182 0.000 0.970 213 Q CA 1.835 57.519 55.803 -0.197 0.000 0.855 213 Q CB -0.088 28.543 28.738 -0.178 0.000 0.911 213 Q HN 0.567 nan 8.270 nan 0.000 0.438 214 V N -2.524 117.301 119.914 -0.148 0.000 2.759 214 V HA -0.106 4.017 4.120 0.005 0.000 0.256 214 V C 2.256 178.132 176.094 -0.364 0.000 1.080 214 V CA 0.967 63.162 62.300 -0.174 0.000 1.101 214 V CB -0.936 30.875 31.823 -0.020 0.000 0.698 214 V HN -0.007 nan 8.190 nan 0.000 0.477 215 V N 0.766 120.459 119.914 -0.367 0.000 2.323 215 V HA -0.144 3.979 4.120 0.005 0.000 0.244 215 V C 2.481 178.364 176.094 -0.351 0.000 1.041 215 V CA 2.350 64.403 62.300 -0.413 0.000 1.025 215 V CB -0.539 31.067 31.823 -0.363 0.000 0.656 215 V HN 0.453 nan 8.190 nan 0.000 0.451 216 I N -0.155 120.259 120.570 -0.261 0.000 2.286 216 I HA -0.285 3.888 4.170 0.005 0.000 0.248 216 I C 2.645 178.640 176.117 -0.203 0.000 1.115 216 I CA 1.499 62.681 61.300 -0.196 0.000 1.392 216 I CB -0.479 37.422 38.000 -0.165 0.000 1.065 216 I HN 0.352 nan 8.210 nan 0.000 0.418 217 Q N 0.529 120.189 119.800 -0.234 0.000 2.124 217 Q HA -0.156 4.187 4.340 0.005 0.000 0.202 217 Q C 1.936 177.787 176.000 -0.248 0.000 0.977 217 Q CA 1.232 56.908 55.803 -0.211 0.000 0.850 217 Q CB -0.172 28.450 28.738 -0.194 0.000 0.901 217 Q HN 0.535 nan 8.270 nan 0.000 0.429 218 N N 0.353 118.812 118.700 -0.401 0.000 2.354 218 N HA -0.032 4.711 4.740 0.005 0.000 0.179 218 N C 1.733 177.088 175.510 -0.257 0.000 1.021 218 N CA 0.785 53.572 53.050 -0.439 0.000 0.887 218 N CB 0.152 38.038 38.487 -1.000 0.000 0.974 218 N HN 0.263 nan 8.380 nan 0.000 0.437 219 I N 1.289 121.727 120.570 -0.219 0.000 2.233 219 I HA -0.184 3.989 4.170 0.005 0.000 0.243 219 I C 1.871 177.934 176.117 -0.089 0.000 1.093 219 I CA 0.720 61.951 61.300 -0.116 0.000 1.380 219 I CB -0.203 37.740 38.000 -0.094 0.000 1.067 219 I HN 0.032 nan 8.210 nan 0.000 0.413 220 N N 0.700 119.339 118.700 -0.101 0.000 2.166 220 N HA -0.170 4.573 4.740 0.005 0.000 0.186 220 N C 1.706 177.177 175.510 -0.065 0.000 1.019 220 N CA 1.154 54.158 53.050 -0.076 0.000 0.856 220 N CB -0.162 38.275 38.487 -0.083 0.000 0.993 220 N HN 0.362 nan 8.380 nan 0.000 0.426 221 E N 0.851 121.003 120.200 -0.080 0.000 2.208 221 E HA -0.042 4.311 4.350 0.005 0.000 0.193 221 E C 2.099 178.675 176.600 -0.040 0.000 0.988 221 E CA 0.114 56.478 56.400 -0.060 0.000 0.828 221 E CB -0.175 29.481 29.700 -0.072 0.000 0.763 221 E HN 0.359 nan 8.360 nan 0.000 0.478 222 L N 0.360 121.558 121.223 -0.041 0.000 2.179 222 L HA -0.097 4.246 4.340 0.005 0.000 0.208 222 L C 2.204 179.065 176.870 -0.014 0.000 1.096 222 L CA 0.441 55.270 54.840 -0.019 0.000 0.779 222 L CB 0.112 42.164 42.059 -0.012 0.000 0.922 222 L HN -0.066 nan 8.230 nan 0.000 0.443 223 V N -0.225 119.676 119.914 -0.023 0.000 2.427 223 V HA -0.280 3.844 4.120 0.005 0.000 0.248 223 V C 2.306 178.394 176.094 -0.009 0.000 1.051 223 V CA 1.697 63.987 62.300 -0.015 0.000 1.048 223 V CB -0.522 31.288 31.823 -0.021 0.000 0.666 223 V HN 0.415 nan 8.190 nan 0.000 0.456 224 K N -0.387 120.004 120.400 -0.014 0.000 2.288 224 K HA -0.110 4.213 4.320 0.005 0.000 0.201 224 K C 2.009 178.607 176.600 -0.004 0.000 1.048 224 K CA 1.083 57.365 56.287 -0.010 0.000 0.956 224 K CB 0.010 32.500 32.500 -0.016 0.000 0.746 224 K HN 0.599 nan 8.250 nan 0.000 0.461 225 E N -0.089 120.109 120.200 -0.003 0.000 2.079 225 E HA 0.038 4.391 4.350 0.005 0.000 0.191 225 E C 0.354 176.959 176.600 0.009 0.000 0.961 225 E CA 0.544 56.946 56.400 0.003 0.000 0.823 225 E CB 0.396 30.099 29.700 0.004 0.000 0.789 225 E HN 0.131 nan 8.360 nan 0.000 0.459 226 A N 1.332 124.158 122.820 0.010 0.000 3.365 226 A HA 0.490 4.813 4.320 0.005 0.000 0.258 226 A C -0.150 177.443 177.584 0.016 0.000 0.964 226 A CA -0.245 51.802 52.037 0.015 0.000 0.988 226 A CB 0.593 19.605 19.000 0.019 0.000 1.193 226 A HN 0.150 nan 8.150 nan 0.000 0.508 227 G N 0.391 109.201 108.800 0.015 0.000 2.416 227 G HA2 0.502 4.465 3.960 0.005 0.000 0.324 227 G HA3 0.502 4.465 3.960 0.005 0.000 0.324 227 G C -0.381 174.539 174.900 0.033 0.000 1.194 227 G CA -0.634 44.476 45.100 0.017 0.000 0.922 227 G HN 0.393 nan 8.290 nan 0.000 0.467 228 K N 3.149 123.577 120.400 0.045 0.000 2.412 228 K HA 0.156 4.479 4.320 0.005 0.000 0.281 228 K C -1.889 174.766 176.600 0.092 0.000 1.027 228 K CA -0.938 55.393 56.287 0.073 0.000 0.989 228 K CB 0.812 33.371 32.500 0.099 0.000 0.935 228 K HN 0.353 nan 8.250 nan 0.000 0.475 229 P HA -0.089 nan 4.420 nan 0.000 0.265 229 P C -0.216 177.182 177.300 0.164 0.000 1.187 229 P CA 0.216 63.375 63.100 0.099 0.000 0.766 229 P CB 0.304 32.050 31.700 0.077 0.000 0.820 230 R N 2.594 123.181 120.500 0.145 0.000 2.640 230 R HA -0.029 4.314 4.340 0.005 0.000 0.270 230 R C 0.017 176.505 176.300 0.314 0.000 1.024 230 R CA -0.018 56.198 56.100 0.193 0.000 1.085 230 R CB -0.765 29.606 30.300 0.119 0.000 0.963 230 R HN 0.507 nan 8.270 nan 0.000 0.426 231 W N 1.090 122.425 121.300 0.059 0.000 2.223 231 W HA 0.156 4.819 4.660 0.005 0.000 0.334 231 W C 0.480 177.092 176.519 0.155 0.000 1.334 231 W CA -0.027 57.382 57.345 0.106 0.000 1.246 231 W CB 0.508 30.038 29.460 0.117 0.000 1.184 231 W HN 0.785 nan 8.180 nan 0.000 0.563 232 D N 3.557 124.122 120.400 0.275 0.000 2.498 232 D HA 0.054 4.697 4.640 0.005 0.000 0.229 232 D C -1.047 175.444 176.300 0.318 0.000 1.188 232 D CA 0.052 54.181 54.000 0.216 0.000 1.028 232 D CB -0.389 40.467 40.800 0.095 0.000 1.087 232 D HN 0.276 nan 8.370 nan 0.000 0.510 233 W N 3.434 124.840 121.300 0.176 0.000 2.785 233 W HA 0.456 5.120 4.660 0.006 0.000 0.333 233 W C -1.500 175.101 176.519 0.136 0.000 1.062 233 W CA -0.650 56.816 57.345 0.202 0.000 1.233 233 W CB 1.394 31.044 29.460 0.316 0.000 1.413 233 W HN 0.021 nan 8.180 nan 0.000 0.489 234 Q N 6.557 125.921 119.800 -0.728 0.000 2.285 234 Q HA 0.332 4.675 4.340 0.005 0.000 0.269 234 Q C -2.204 173.112 176.000 -1.139 0.000 1.030 234 Q CA -1.774 53.567 55.803 -0.770 0.000 0.788 234 Q CB 2.067 30.609 28.738 -0.328 0.000 1.266 234 Q HN 0.410 nan 8.270 nan 0.000 0.438 235 P HA 0.059 nan 4.420 nan 0.000 0.273 235 P C -0.202 176.924 177.300 -0.289 0.000 1.250 235 P CA -0.372 62.329 63.100 -0.665 0.000 0.793 235 P CB 0.781 32.291 31.700 -0.317 0.000 1.011 236 E N 1.965 122.094 120.200 -0.119 0.000 2.415 236 E HA 0.090 4.443 4.350 0.005 0.000 0.260 236 E C -1.684 174.885 176.600 -0.052 0.000 1.016 236 E CA -1.338 55.026 56.400 -0.060 0.000 0.924 236 E CB -0.681 29.018 29.700 -0.001 0.000 0.961 236 E HN 0.252 nan 8.360 nan 0.000 0.459 237 P HA -0.035 nan 4.420 nan 0.000 0.269 237 P C -0.575 176.714 177.300 -0.018 0.000 1.209 237 P CA -0.352 62.724 63.100 -0.041 0.000 0.776 237 P CB 0.857 32.533 31.700 -0.040 0.000 0.876 238 V N 3.126 123.033 119.914 -0.012 0.000 2.485 238 V HA 0.020 4.143 4.120 0.005 0.000 0.287 238 V C 0.380 176.473 176.094 -0.000 0.000 1.022 238 V CA -0.206 62.093 62.300 -0.001 0.000 1.067 238 V CB -0.461 31.363 31.823 0.002 0.000 0.967 238 V HN 0.509 nan 8.190 nan 0.000 0.479 239 N N 6.077 124.780 118.700 0.005 0.000 2.521 239 N HA 0.187 4.930 4.740 0.005 0.000 0.236 239 N C 0.921 176.435 175.510 0.007 0.000 1.067 239 N CA -0.214 52.839 53.050 0.005 0.000 0.939 239 N CB 1.127 39.618 38.487 0.008 0.000 1.201 239 N HN 0.703 nan 8.380 nan 0.000 0.511 240 E N 1.997 122.200 120.200 0.004 0.000 2.150 240 E HA -0.082 4.271 4.350 0.005 0.000 0.193 240 E C 1.133 177.736 176.600 0.005 0.000 0.985 240 E CA 0.685 57.087 56.400 0.004 0.000 0.814 240 E CB -0.026 29.675 29.700 0.002 0.000 0.752 240 E HN 0.660 nan 8.360 nan 0.000 0.466 241 A N 0.332 123.155 122.820 0.005 0.000 2.167 241 A HA -0.007 4.317 4.320 0.005 0.000 0.214 241 A C 2.015 179.603 177.584 0.008 0.000 1.151 241 A CA 0.515 52.555 52.037 0.005 0.000 0.735 241 A CB -0.061 18.942 19.000 0.004 0.000 0.802 241 A HN 0.195 nan 8.150 nan 0.000 0.467 242 L N -1.284 119.944 121.223 0.009 0.000 2.467 242 L HA 0.258 4.601 4.340 0.005 0.000 0.213 242 L C 1.403 178.282 176.870 0.015 0.000 1.053 242 L CA 1.150 55.998 54.840 0.013 0.000 0.847 242 L CB -0.352 41.715 42.059 0.014 0.000 1.075 242 L HN 0.159 nan 8.230 nan 0.000 0.479 243 N N 0.703 119.411 118.700 0.015 0.000 2.166 243 N HA -0.072 4.671 4.740 0.005 0.000 0.186 243 N C 1.738 177.257 175.510 0.014 0.000 1.019 243 N CA 1.498 54.558 53.050 0.017 0.000 0.856 243 N CB -0.309 38.188 38.487 0.016 0.000 0.993 243 N HN 0.494 nan 8.380 nan 0.000 0.426 244 A N 0.330 123.157 122.820 0.011 0.000 2.072 244 A HA 0.032 4.355 4.320 0.005 0.000 0.216 244 A C 2.197 179.787 177.584 0.010 0.000 1.156 244 A CA 0.581 52.623 52.037 0.009 0.000 0.701 244 A CB -0.214 18.790 19.000 0.007 0.000 0.816 244 A HN 0.164 nan 8.150 nan 0.000 0.458 245 R N -0.477 120.029 120.500 0.011 0.000 2.115 245 R HA -0.040 4.303 4.340 0.005 0.000 0.226 245 R C 1.613 177.921 176.300 0.013 0.000 1.100 245 R CA 1.525 57.632 56.100 0.011 0.000 0.980 245 R CB -0.127 30.179 30.300 0.011 0.000 0.875 245 R HN 0.318 nan 8.270 nan 0.000 0.445 246 V N 0.256 120.179 119.914 0.016 0.000 2.535 246 V HA -0.025 4.098 4.120 0.005 0.000 0.246 246 V C 2.288 178.393 176.094 0.018 0.000 1.045 246 V CA 1.526 63.838 62.300 0.019 0.000 1.058 246 V CB -0.201 31.636 31.823 0.024 0.000 0.689 246 V HN 0.443 nan 8.190 nan 0.000 0.461 247 A N 0.417 123.246 122.820 0.016 0.000 1.933 247 A HA -0.015 4.308 4.320 0.005 0.000 0.218 247 A C 2.145 179.736 177.584 0.011 0.000 1.175 247 A CA 1.670 53.715 52.037 0.013 0.000 0.628 247 A CB -0.576 18.430 19.000 0.011 0.000 0.814 247 A HN 0.580 nan 8.150 nan 0.000 0.444 248 A N -1.964 120.862 122.820 0.010 0.000 2.265 248 A HA 0.429 4.752 4.320 0.005 0.000 0.213 248 A C 1.388 178.978 177.584 0.009 0.000 1.255 248 A CA 1.058 53.100 52.037 0.009 0.000 0.862 248 A CB -0.293 18.712 19.000 0.007 0.000 0.852 248 A HN 0.614 nan 8.150 nan 0.000 0.484 249 L N -4.024 117.206 121.223 0.011 0.000 3.195 249 L HA 0.492 4.835 4.340 0.005 0.000 0.290 249 L C 1.786 178.664 176.870 0.013 0.000 1.092 249 L CA 1.319 56.166 54.840 0.012 0.000 1.094 249 L CB 0.020 42.087 42.059 0.012 0.000 1.743 249 L HN 0.135 nan 8.230 nan 0.000 0.579 250 A N -1.094 121.736 122.820 0.016 0.000 1.997 250 A HA 0.129 4.452 4.320 0.005 0.000 0.198 250 A C 1.911 179.508 177.584 0.022 0.000 1.449 250 A CA 0.626 52.675 52.037 0.019 0.000 0.908 250 A CB -0.237 18.778 19.000 0.024 0.000 0.984 250 A HN 0.302 nan 8.150 nan 0.000 0.487 251 E N 0.637 120.848 120.200 0.020 0.000 2.160 251 E HA -0.186 4.167 4.350 0.005 0.000 0.195 251 E C 1.991 178.603 176.600 0.019 0.000 0.991 251 E CA 1.181 57.592 56.400 0.019 0.000 0.810 251 E CB -0.184 29.522 29.700 0.012 0.000 0.742 251 E HN 0.539 nan 8.360 nan 0.000 0.466 252 A N 1.829 124.658 122.820 0.015 0.000 1.883 252 A HA -0.235 4.088 4.320 0.005 0.000 0.217 252 A C 2.190 179.783 177.584 0.016 0.000 1.186 252 A CA 2.034 54.079 52.037 0.013 0.000 0.624 252 A CB -0.552 18.454 19.000 0.010 0.000 0.822 252 A HN 0.428 nan 8.150 nan 0.000 0.444 253 R N -0.791 119.718 120.500 0.016 0.000 2.280 253 R HA 0.354 4.697 4.340 0.005 0.000 0.195 253 R C 1.462 177.774 176.300 0.020 0.000 0.935 253 R CA 0.509 56.617 56.100 0.013 0.000 1.033 253 R CB -0.406 29.898 30.300 0.006 0.000 0.964 253 R HN 0.402 nan 8.270 nan 0.000 0.489 254 L N 0.823 122.068 121.223 0.037 0.000 2.291 254 L HA 0.001 4.345 4.340 0.005 0.000 0.214 254 L C 2.468 179.415 176.870 0.129 0.000 1.120 254 L CA 0.927 55.812 54.840 0.076 0.000 0.799 254 L CB -0.155 41.956 42.059 0.086 0.000 0.925 254 L HN 0.289 nan 8.230 nan 0.000 0.446 255 S N -0.367 115.379 115.700 0.076 0.000 2.402 255 S HA -0.161 4.312 4.470 0.005 0.000 0.229 255 S C 1.476 176.119 174.600 0.072 0.000 1.021 255 S CA 1.300 59.542 58.200 0.071 0.000 0.974 255 S CB -0.059 63.160 63.200 0.032 0.000 0.800 255 S HN 0.398 nan 8.310 nan 0.000 0.484 256 D N 0.895 121.322 120.400 0.045 0.000 2.347 256 D HA 0.249 4.892 4.640 0.005 0.000 0.213 256 D C 1.882 178.186 176.300 0.006 0.000 0.985 256 D CA 0.771 54.786 54.000 0.025 0.000 0.879 256 D CB -0.196 40.610 40.800 0.010 0.000 0.919 256 D HN 0.451 nan 8.370 nan 0.000 0.526 257 A N -0.146 122.672 122.820 -0.003 0.000 1.968 257 A HA -0.131 4.192 4.320 0.005 0.000 0.217 257 A C 1.111 178.571 177.584 -0.206 0.000 1.169 257 A CA 0.728 52.698 52.037 -0.111 0.000 0.638 257 A CB -0.595 18.312 19.000 -0.155 0.000 0.812 257 A HN 0.216 nan 8.150 nan 0.000 0.446 258 Y N -0.910 119.358 120.300 -0.054 0.000 2.676 258 Y HA 0.288 4.841 4.550 0.005 0.000 0.331 258 Y C 1.940 177.821 175.900 -0.031 0.000 1.128 258 Y CA 0.087 58.155 58.100 -0.054 0.000 1.360 258 Y CB 0.019 38.442 38.460 -0.062 0.000 1.176 258 Y HN 0.260 nan 8.280 nan 0.000 0.518 259 R N 0.244 120.780 120.500 0.060 0.000 2.287 259 R HA 0.213 4.556 4.340 0.005 0.000 0.197 259 R C 0.566 176.878 176.300 0.020 0.000 0.900 259 R CA 0.072 56.197 56.100 0.043 0.000 1.052 259 R CB 0.400 30.718 30.300 0.029 0.000 1.117 259 R HN 0.341 nan 8.270 nan 0.000 0.568 260 I N -0.189 120.378 120.570 -0.005 0.000 2.720 260 I HA 0.118 4.291 4.170 0.005 0.000 0.287 260 I C 1.349 177.467 176.117 0.002 0.000 1.090 260 I CA -0.260 61.036 61.300 -0.008 0.000 1.384 260 I CB 1.474 39.460 38.000 -0.024 0.000 1.420 260 I HN -0.017 nan 8.210 nan 0.000 0.575 261 T N -0.024 114.536 114.554 0.011 0.000 2.809 261 T HA -0.059 4.294 4.350 0.005 0.000 0.260 261 T C 0.673 175.392 174.700 0.031 0.000 1.039 261 T CA 0.506 62.620 62.100 0.023 0.000 1.141 261 T CB -0.424 68.456 68.868 0.021 0.000 0.869 261 T HN 0.759 nan 8.240 nan 0.000 0.437 262 D N 1.193 121.607 120.400 0.024 0.000 2.424 262 D HA 0.147 4.790 4.640 0.005 0.000 0.244 262 D C 1.086 177.420 176.300 0.056 0.000 1.134 262 D CA -0.014 54.007 54.000 0.035 0.000 0.881 262 D CB 1.061 41.875 40.800 0.024 0.000 1.191 262 D HN 0.241 nan 8.370 nan 0.000 0.445 263 K N 2.104 122.556 120.400 0.086 0.000 2.031 263 K HA -0.132 4.191 4.320 0.005 0.000 0.205 263 K C 1.653 178.364 176.600 0.185 0.000 1.049 263 K CA 0.948 57.335 56.287 0.166 0.000 0.939 263 K CB 0.115 32.700 32.500 0.140 0.000 0.717 263 K HN 0.548 nan 8.250 nan 0.000 0.438 264 Q N 0.222 120.078 119.800 0.093 0.000 2.170 264 Q HA -0.159 4.184 4.340 0.005 0.000 0.203 264 Q C 1.694 177.735 176.000 0.068 0.000 0.976 264 Q CA 1.464 57.310 55.803 0.072 0.000 0.858 264 Q CB 0.127 28.885 28.738 0.033 0.000 0.907 264 Q HN 0.417 nan 8.270 nan 0.000 0.433 265 E N 0.058 120.285 120.200 0.045 0.000 2.216 265 E HA -0.124 4.229 4.350 0.005 0.000 0.192 265 E C 1.933 178.526 176.600 -0.011 0.000 0.988 265 E CA 0.344 56.754 56.400 0.015 0.000 0.834 265 E CB 0.078 29.780 29.700 0.004 0.000 0.772 265 E HN 0.167 nan 8.360 nan 0.000 0.479 266 R N -0.038 120.454 120.500 -0.013 0.000 2.062 266 R HA -0.084 4.259 4.340 0.005 0.000 0.226 266 R C 1.674 177.861 176.300 -0.189 0.000 1.125 266 R CA 1.003 57.019 56.100 -0.140 0.000 0.966 266 R CB -0.087 30.104 30.300 -0.183 0.000 0.861 266 R HN 0.155 nan 8.270 nan 0.000 0.433 267 Y N -0.066 120.174 120.300 -0.100 0.000 2.497 267 Y HA -0.012 4.542 4.550 0.005 0.000 0.292 267 Y C 2.116 177.983 175.900 -0.054 0.000 1.137 267 Y CA 1.022 59.078 58.100 -0.073 0.000 1.285 267 Y CB 0.139 38.580 38.460 -0.033 0.000 0.991 267 Y HN 0.272 nan 8.280 nan 0.000 0.556 268 A N -0.909 121.956 122.820 0.074 0.000 2.030 268 A HA -0.108 4.215 4.320 0.005 0.000 0.215 268 A C 1.977 179.554 177.584 -0.011 0.000 1.164 268 A CA 1.083 53.140 52.037 0.034 0.000 0.697 268 A CB -0.237 18.780 19.000 0.029 0.000 0.827 268 A HN 0.357 nan 8.150 nan 0.000 0.457 269 Q N 0.187 119.954 119.800 -0.054 0.000 2.123 269 Q HA -0.070 4.273 4.340 0.005 0.000 0.196 269 Q C 1.888 177.828 176.000 -0.101 0.000 0.958 269 Q CA 2.046 57.803 55.803 -0.078 0.000 0.841 269 Q CB -0.443 28.234 28.738 -0.103 0.000 0.915 269 Q HN 0.580 nan 8.270 nan 0.000 0.455 270 V N -1.333 118.479 119.914 -0.169 0.000 2.809 270 V HA -0.059 4.065 4.120 0.005 0.000 0.256 270 V C 1.654 177.712 176.094 -0.061 0.000 1.080 270 V CA 2.038 64.240 62.300 -0.163 0.000 1.102 270 V CB -0.507 31.124 31.823 -0.320 0.000 0.705 270 V HN 0.242 nan 8.190 nan 0.000 0.475 271 D N 0.199 120.581 120.400 -0.031 0.000 2.183 271 D HA -0.085 4.558 4.640 0.005 0.000 0.205 271 D C 1.997 178.303 176.300 0.009 0.000 0.962 271 D CA 1.326 55.334 54.000 0.012 0.000 0.849 271 D CB 0.279 41.102 40.800 0.039 0.000 0.978 271 D HN 0.229 nan 8.370 nan 0.000 0.488 272 V N 0.144 120.057 119.914 -0.001 0.000 2.667 272 V HA -0.060 4.063 4.120 0.005 0.000 0.252 272 V C 2.092 178.186 176.094 0.001 0.000 1.065 272 V CA 0.985 63.285 62.300 0.001 0.000 1.083 272 V CB -0.269 31.552 31.823 -0.003 0.000 0.692 272 V HN 0.249 nan 8.190 nan 0.000 0.468 273 I N -0.504 120.063 120.570 -0.005 0.000 2.233 273 I HA -0.187 3.986 4.170 0.005 0.000 0.243 273 I C 2.496 178.621 176.117 0.012 0.000 1.093 273 I CA 1.488 62.789 61.300 0.001 0.000 1.380 273 I CB -0.381 37.617 38.000 -0.003 0.000 1.067 273 I HN 0.186 nan 8.210 nan 0.000 0.413 274 K N 0.445 120.855 120.400 0.017 0.000 2.097 274 K HA -0.089 4.234 4.320 0.005 0.000 0.206 274 K C 2.179 178.795 176.600 0.026 0.000 1.049 274 K CA 1.458 57.761 56.287 0.028 0.000 0.933 274 K CB -0.116 32.407 32.500 0.038 0.000 0.717 274 K HN 0.173 nan 8.250 nan 0.000 0.442 275 S N 0.968 116.681 115.700 0.022 0.000 2.481 275 S HA -0.074 4.399 4.470 0.005 0.000 0.231 275 S C 1.393 176.003 174.600 0.017 0.000 0.996 275 S CA 0.985 59.197 58.200 0.020 0.000 0.942 275 S CB 0.002 63.213 63.200 0.018 0.000 0.768 275 S HN 0.338 nan 8.310 nan 0.000 0.520 276 E N 0.209 120.418 120.200 0.015 0.000 2.290 276 E HA 0.039 4.392 4.350 0.005 0.000 0.197 276 E C 1.762 178.371 176.600 0.014 0.000 0.948 276 E CA 0.691 57.098 56.400 0.013 0.000 0.895 276 E CB 0.014 29.719 29.700 0.009 0.000 0.865 276 E HN 0.321 nan 8.360 nan 0.000 0.486 277 T N 1.612 116.176 114.554 0.017 0.000 2.770 277 T HA -0.052 4.301 4.350 0.005 0.000 0.263 277 T C 2.017 176.729 174.700 0.020 0.000 1.039 277 T CA 0.807 62.918 62.100 0.018 0.000 1.142 277 T CB -0.102 68.779 68.868 0.021 0.000 0.868 277 T HN 0.066 nan 8.240 nan 0.000 0.435 278 I N 1.565 122.149 120.570 0.023 0.000 2.315 278 I HA -0.108 4.065 4.170 0.005 0.000 0.248 278 I C 2.933 179.062 176.117 0.020 0.000 1.117 278 I CA 0.945 62.260 61.300 0.023 0.000 1.404 278 I CB -0.488 37.528 38.000 0.028 0.000 1.071 278 I HN 0.177 nan 8.210 nan 0.000 0.419 279 A N 0.543 123.374 122.820 0.018 0.000 1.972 279 A HA -0.173 4.150 4.320 0.005 0.000 0.219 279 A C 2.375 179.967 177.584 0.014 0.000 1.169 279 A CA 2.323 54.369 52.037 0.015 0.000 0.635 279 A CB -0.964 18.044 19.000 0.014 0.000 0.810 279 A HN 0.403 nan 8.150 nan 0.000 0.446 280 T N 0.130 114.692 114.554 0.013 0.000 2.896 280 T HA 0.027 4.380 4.350 0.005 0.000 0.263 280 T C 1.760 176.468 174.700 0.012 0.000 1.050 280 T CA 1.204 63.311 62.100 0.012 0.000 1.140 280 T CB -0.271 68.604 68.868 0.011 0.000 0.877 280 T HN 0.340 nan 8.240 nan 0.000 0.457 281 L N 0.320 121.551 121.223 0.014 0.000 2.156 281 L HA 0.076 4.419 4.340 0.005 0.000 0.208 281 L C 2.302 179.180 176.870 0.014 0.000 1.095 281 L CA 0.843 55.692 54.840 0.014 0.000 0.770 281 L CB -0.441 41.628 42.059 0.017 0.000 0.914 281 L HN 0.228 nan 8.230 nan 0.000 0.439 282 L N -0.750 120.481 121.223 0.015 0.000 2.156 282 L HA -0.103 4.240 4.340 0.005 0.000 0.208 282 L C 2.734 179.611 176.870 0.012 0.000 1.095 282 L CA 0.886 55.734 54.840 0.014 0.000 0.770 282 L CB -0.529 41.539 42.059 0.015 0.000 0.914 282 L HN 0.208 nan 8.230 nan 0.000 0.439 283 A N -0.562 122.265 122.820 0.011 0.000 2.014 283 A HA -0.197 4.126 4.320 0.005 0.000 0.218 283 A C 2.213 179.802 177.584 0.009 0.000 1.163 283 A CA 1.378 53.421 52.037 0.010 0.000 0.652 283 A CB -0.272 18.734 19.000 0.009 0.000 0.808 283 A HN 0.421 nan 8.150 nan 0.000 0.449 284 E N -0.050 120.156 120.200 0.009 0.000 2.046 284 E HA -0.101 4.252 4.350 0.005 0.000 0.190 284 E C -0.520 176.085 176.600 0.008 0.000 0.982 284 E CA 1.109 57.514 56.400 0.008 0.000 0.800 284 E CB 0.151 29.856 29.700 0.009 0.000 0.756 284 E HN 0.752 nan 8.360 nan 0.000 0.449 285 D N -1.661 118.744 120.400 0.009 0.000 2.837 285 D HA 0.086 4.729 4.640 0.005 0.000 0.220 285 D C -0.608 175.698 176.300 0.010 0.000 1.236 285 D CA -0.498 53.507 54.000 0.009 0.000 0.838 285 D CB 0.880 41.685 40.800 0.008 0.000 1.647 285 D HN -0.043 nan 8.370 nan 0.000 0.486 286 E N -0.023 120.182 120.200 0.010 0.000 2.463 286 E HA 0.033 4.386 4.350 0.005 0.000 0.193 286 E C 0.952 177.558 176.600 0.011 0.000 1.041 286 E CA 0.343 56.750 56.400 0.010 0.000 0.879 286 E CB 0.343 30.049 29.700 0.010 0.000 0.997 286 E HN 0.675 nan 8.360 nan 0.000 0.478 287 T N -1.198 113.362 114.554 0.010 0.000 3.023 287 T HA 0.052 4.406 4.350 0.005 0.000 0.266 287 T C 1.002 175.709 174.700 0.011 0.000 1.093 287 T CA 0.062 62.168 62.100 0.010 0.000 1.129 287 T CB 0.030 68.903 68.868 0.008 0.000 0.899 287 T HN -0.022 nan 8.240 nan 0.000 0.491 288 L N 1.906 123.137 121.223 0.013 0.000 2.452 288 L HA 0.364 4.707 4.340 0.005 0.000 0.267 288 L C 0.428 177.309 176.870 0.018 0.000 1.188 288 L CA -0.520 54.329 54.840 0.015 0.000 0.821 288 L CB 0.429 42.498 42.059 0.017 0.000 1.102 288 L HN 0.165 nan 8.230 nan 0.000 0.470 289 D N 0.406 120.818 120.400 0.020 0.000 2.264 289 D HA 0.047 4.690 4.640 0.005 0.000 0.249 289 D C 0.822 177.138 176.300 0.027 0.000 1.070 289 D CA -0.231 53.782 54.000 0.023 0.000 0.912 289 D CB 1.139 41.953 40.800 0.024 0.000 1.193 289 D HN 0.383 nan 8.370 nan 0.000 0.427 290 E N 1.706 121.923 120.200 0.028 0.000 2.047 290 E HA -0.128 4.225 4.350 0.005 0.000 0.191 290 E C 1.160 177.783 176.600 0.037 0.000 0.987 290 E CA 0.839 57.258 56.400 0.031 0.000 0.799 290 E CB -0.037 29.681 29.700 0.031 0.000 0.752 290 E HN 0.487 nan 8.360 nan 0.000 0.449 291 N N 1.008 119.732 118.700 0.039 0.000 2.354 291 N HA -0.119 4.625 4.740 0.005 0.000 0.179 291 N C 1.737 177.275 175.510 0.047 0.000 1.021 291 N CA 0.494 53.571 53.050 0.046 0.000 0.887 291 N CB -0.030 38.486 38.487 0.049 0.000 0.974 291 N HN 0.356 nan 8.380 nan 0.000 0.437 292 E N 0.941 121.166 120.200 0.041 0.000 2.106 292 E HA -0.048 4.305 4.350 0.005 0.000 0.192 292 E C 1.777 178.403 176.600 0.043 0.000 0.984 292 E CA 0.507 56.932 56.400 0.041 0.000 0.806 292 E CB 0.080 29.799 29.700 0.033 0.000 0.750 292 E HN 0.253 nan 8.360 nan 0.000 0.458 293 L N -0.221 121.026 121.223 0.041 0.000 2.156 293 L HA -0.003 4.341 4.340 0.005 0.000 0.208 293 L C 2.523 179.426 176.870 0.055 0.000 1.095 293 L CA 0.965 55.831 54.840 0.043 0.000 0.770 293 L CB -0.305 41.776 42.059 0.037 0.000 0.914 293 L HN 0.244 nan 8.230 nan 0.000 0.439 294 G N -0.621 108.215 108.800 0.059 0.000 2.448 294 G HA2 -0.169 3.794 3.960 0.005 0.000 0.218 294 G HA3 -0.169 3.794 3.960 0.005 0.000 0.218 294 G C 1.434 176.392 174.900 0.097 0.000 1.135 294 G CA 0.210 45.355 45.100 0.075 0.000 0.784 294 G HN 0.375 nan 8.290 nan 0.000 0.543 295 E N -0.085 120.163 120.200 0.081 0.000 2.152 295 E HA -0.006 4.347 4.350 0.005 0.000 0.192 295 E C 2.394 179.062 176.600 0.112 0.000 0.983 295 E CA 0.388 56.842 56.400 0.090 0.000 0.818 295 E CB -0.054 29.687 29.700 0.067 0.000 0.758 295 E HN 0.506 nan 8.360 nan 0.000 0.467 296 I N 0.729 121.350 120.570 0.085 0.000 2.353 296 I HA -0.226 3.948 4.170 0.005 0.000 0.248 296 I C 2.202 178.365 176.117 0.077 0.000 1.119 296 I CA 0.785 62.128 61.300 0.072 0.000 1.417 296 I CB -0.120 37.910 38.000 0.050 0.000 1.078 296 I HN 0.066 nan 8.210 nan 0.000 0.421 297 L N -0.036 121.238 121.223 0.086 0.000 2.141 297 L HA -0.235 4.108 4.340 0.005 0.000 0.209 297 L C 2.657 179.585 176.870 0.097 0.000 1.094 297 L CA 1.416 56.304 54.840 0.081 0.000 0.763 297 L CB -0.685 41.423 42.059 0.081 0.000 0.908 297 L HN 0.306 nan 8.230 nan 0.000 0.437 298 H N -0.393 118.702 119.070 0.042 0.000 2.428 298 H HA -0.054 4.505 4.556 0.005 0.000 0.296 298 H C 2.138 177.479 175.328 0.023 0.000 1.062 298 H CA 1.182 57.255 56.048 0.041 0.000 1.350 298 H CB 0.246 30.039 29.762 0.051 0.000 1.403 298 H HN 0.286 nan 8.280 nan 0.000 0.533 299 A N 0.237 123.129 122.820 0.120 0.000 1.969 299 A HA -0.054 4.270 4.320 0.005 0.000 0.218 299 A C 2.316 179.891 177.584 -0.016 0.000 1.169 299 A CA 1.274 53.345 52.037 0.057 0.000 0.635 299 A CB -0.545 18.498 19.000 0.071 0.000 0.810 299 A HN 0.492 nan 8.150 nan 0.000 0.445 300 I N -0.458 120.103 120.570 -0.015 0.000 2.252 300 I HA -0.223 3.950 4.170 0.005 0.000 0.245 300 I C 2.395 178.451 176.117 -0.101 0.000 1.102 300 I CA 1.390 62.669 61.300 -0.035 0.000 1.385 300 I CB -0.404 37.596 38.000 -0.000 0.000 1.064 300 I HN 0.376 nan 8.210 nan 0.000 0.414 301 E N 0.815 120.929 120.200 -0.143 0.000 2.110 301 E HA -0.278 4.075 4.350 0.005 0.000 0.193 301 E C 2.118 178.459 176.600 -0.432 0.000 0.988 301 E CA 1.120 57.336 56.400 -0.307 0.000 0.804 301 E CB -0.077 29.477 29.700 -0.243 0.000 0.745 301 E HN 0.371 nan 8.360 nan 0.000 0.458 302 K N 0.862 121.078 120.400 -0.307 0.000 2.103 302 K HA -0.152 4.171 4.320 0.005 0.000 0.204 302 K C 1.977 178.480 176.600 -0.161 0.000 1.052 302 K CA 1.252 57.407 56.287 -0.221 0.000 0.945 302 K CB 0.057 32.488 32.500 -0.116 0.000 0.722 302 K HN -0.070 nan 8.250 nan 0.000 0.443 303 N N 0.147 118.771 118.700 -0.127 0.000 2.216 303 N HA -0.105 4.638 4.740 0.005 0.000 0.183 303 N C 1.538 176.986 175.510 -0.102 0.000 1.017 303 N CA 0.948 53.946 53.050 -0.087 0.000 0.861 303 N CB 0.066 38.521 38.487 -0.053 0.000 0.986 303 N HN -0.017 nan 8.380 nan 0.000 0.428 304 V N -0.222 119.606 119.914 -0.144 0.000 2.295 304 V HA -0.171 3.952 4.120 0.005 0.000 0.246 304 V C 2.237 178.243 176.094 -0.147 0.000 1.049 304 V CA 1.377 63.599 62.300 -0.131 0.000 1.024 304 V CB -0.442 31.301 31.823 -0.132 0.000 0.648 304 V HN 0.151 nan 8.190 nan 0.000 0.447 305 V N -0.184 119.586 119.914 -0.240 0.000 2.307 305 V HA -0.213 3.910 4.120 0.005 0.000 0.245 305 V C 2.516 178.548 176.094 -0.103 0.000 1.045 305 V CA 1.962 64.148 62.300 -0.190 0.000 1.024 305 V CB -0.797 30.862 31.823 -0.273 0.000 0.651 305 V HN 0.438 nan 8.190 nan 0.000 0.449 306 R N 0.040 120.481 120.500 -0.098 0.000 2.115 306 R HA -0.082 4.261 4.340 0.005 0.000 0.230 306 R C 2.520 178.794 176.300 -0.042 0.000 1.111 306 R CA 1.503 57.570 56.100 -0.056 0.000 0.976 306 R CB -0.365 29.907 30.300 -0.047 0.000 0.870 306 R HN 0.452 nan 8.270 nan 0.000 0.445 307 S N 0.382 116.054 115.700 -0.047 0.000 2.406 307 S HA -0.037 4.436 4.470 0.005 0.000 0.228 307 S C 1.752 176.334 174.600 -0.029 0.000 1.020 307 S CA 0.915 59.095 58.200 -0.034 0.000 0.965 307 S CB -0.003 63.177 63.200 -0.034 0.000 0.798 307 S HN 0.309 nan 8.310 nan 0.000 0.488 308 R N 0.434 120.915 120.500 -0.032 0.000 2.093 308 R HA 0.050 4.393 4.340 0.005 0.000 0.224 308 R C 2.136 178.424 176.300 -0.019 0.000 1.101 308 R CA 0.944 57.031 56.100 -0.022 0.000 0.979 308 R CB -0.413 29.876 30.300 -0.018 0.000 0.877 308 R HN 0.236 nan 8.270 nan 0.000 0.441 309 V N 1.674 121.576 119.914 -0.021 0.000 2.379 309 V HA -0.188 3.935 4.120 0.005 0.000 0.245 309 V C 2.209 178.290 176.094 -0.021 0.000 1.044 309 V CA 1.201 63.491 62.300 -0.016 0.000 1.036 309 V CB -0.439 31.378 31.823 -0.011 0.000 0.664 309 V HN 0.328 nan 8.190 nan 0.000 0.453 310 L N 0.860 122.070 121.223 -0.022 0.000 2.141 310 L HA -0.042 4.301 4.340 0.005 0.000 0.209 310 L C 2.395 179.245 176.870 -0.032 0.000 1.094 310 L CA 2.546 57.371 54.840 -0.026 0.000 0.763 310 L CB -1.172 40.875 42.059 -0.020 0.000 0.908 310 L HN 0.318 nan 8.230 nan 0.000 0.437 311 A N -0.662 122.142 122.820 -0.027 0.000 1.929 311 A HA 0.221 4.544 4.320 0.005 0.000 0.216 311 A C 1.696 179.263 177.584 -0.029 0.000 1.176 311 A CA 1.392 53.412 52.037 -0.027 0.000 0.628 311 A CB -0.527 18.460 19.000 -0.022 0.000 0.816 311 A HN 0.759 nan 8.150 nan 0.000 0.444 312 G N -0.969 107.815 108.800 -0.027 0.000 2.148 312 G HA2 -0.076 3.887 3.960 0.005 0.000 0.120 312 G HA3 -0.076 3.887 3.960 0.005 0.000 0.120 312 G C -0.336 174.554 174.900 -0.018 0.000 1.034 312 G CA 0.047 45.132 45.100 -0.026 0.000 0.710 312 G HN 0.509 nan 8.290 nan 0.000 0.495 313 E N 1.378 121.570 120.200 -0.014 0.000 2.319 313 E HA 0.451 4.804 4.350 0.005 0.000 0.268 313 E C -1.960 174.638 176.600 -0.004 0.000 1.050 313 E CA -1.749 54.645 56.400 -0.008 0.000 0.878 313 E CB 1.304 31.000 29.700 -0.007 0.000 1.066 313 E HN 0.165 nan 8.360 nan 0.000 0.406 314 P HA -0.023 nan 4.420 nan 0.000 0.267 314 P C -0.440 176.867 177.300 0.011 0.000 1.200 314 P CA 0.357 63.460 63.100 0.005 0.000 0.772 314 P CB 0.702 32.406 31.700 0.007 0.000 0.855 315 R N 1.064 121.574 120.500 0.016 0.000 2.783 315 R HA 0.206 4.549 4.340 0.005 0.000 0.276 315 R C 2.069 178.392 176.300 0.039 0.000 1.223 315 R CA -0.538 55.577 56.100 0.025 0.000 1.173 315 R CB -0.142 30.175 30.300 0.028 0.000 1.157 315 R HN 0.377 nan 8.270 nan 0.000 0.600 316 I N 0.789 121.393 120.570 0.057 0.000 2.163 316 I HA -0.290 3.883 4.170 0.005 0.000 0.243 316 I C 1.533 177.686 176.117 0.061 0.000 1.085 316 I CA 1.576 62.925 61.300 0.081 0.000 1.347 316 I CB -0.416 37.660 38.000 0.126 0.000 1.044 316 I HN 0.676 nan 8.210 nan 0.000 0.408 317 D N 0.711 121.144 120.400 0.054 0.000 2.325 317 D HA 0.080 4.723 4.640 0.005 0.000 0.225 317 D C 1.231 177.549 176.300 0.031 0.000 1.096 317 D CA 0.525 54.550 54.000 0.043 0.000 0.844 317 D CB 0.004 40.832 40.800 0.047 0.000 0.925 317 D HN 0.394 nan 8.370 nan 0.000 0.513 318 G N 0.874 109.691 108.800 0.028 0.000 2.248 318 G HA2 -0.283 3.680 3.960 0.005 0.000 0.263 318 G HA3 -0.283 3.680 3.960 0.005 0.000 0.263 318 G C -0.089 174.820 174.900 0.015 0.000 1.082 318 G CA -0.269 44.842 45.100 0.019 0.000 0.863 318 G HN 0.420 nan 8.290 nan 0.000 0.495 319 R N -0.549 119.961 120.500 0.017 0.000 2.828 319 R HA 0.549 4.892 4.340 0.005 0.000 0.264 319 R C 0.039 176.343 176.300 0.006 0.000 1.022 319 R CA -0.970 55.136 56.100 0.011 0.000 1.021 319 R CB 1.098 31.408 30.300 0.015 0.000 1.163 319 R HN 0.237 nan 8.270 nan 0.000 0.494 320 E N 1.481 121.681 120.200 -0.001 0.000 2.322 320 E HA 0.022 4.375 4.350 0.005 0.000 0.257 320 E C 0.660 177.259 176.600 -0.002 0.000 1.155 320 E CA -0.108 56.290 56.400 -0.004 0.000 0.936 320 E CB 0.850 30.544 29.700 -0.010 0.000 1.130 320 E HN 0.521 nan 8.360 nan 0.000 0.465 321 K N 0.278 120.675 120.400 -0.005 0.000 2.280 321 K HA -0.150 4.173 4.320 0.005 0.000 0.202 321 K C 0.510 177.111 176.600 0.002 0.000 1.047 321 K CA 1.806 58.092 56.287 -0.002 0.000 0.942 321 K CB 0.064 32.558 32.500 -0.009 0.000 0.739 321 K HN 0.265 nan 8.250 nan 0.000 0.457 322 D N -0.269 120.128 120.400 -0.005 0.000 2.469 322 D HA 0.031 4.675 4.640 0.005 0.000 0.213 322 D C 0.515 176.802 176.300 -0.021 0.000 1.135 322 D CA -0.345 53.651 54.000 -0.006 0.000 0.834 322 D CB -0.095 40.700 40.800 -0.008 0.000 1.009 322 D HN 0.160 nan 8.370 nan 0.000 0.507 323 M N 1.471 121.057 119.600 -0.023 0.000 2.219 323 M HA 0.243 4.726 4.480 0.005 0.000 0.353 323 M C -0.539 175.741 176.300 -0.034 0.000 1.304 323 M CA -0.331 54.944 55.300 -0.042 0.000 1.115 323 M CB 1.014 33.597 32.600 -0.028 0.000 1.664 323 M HN 0.038 nan 8.290 nan 0.000 0.459 324 I N 4.685 125.214 120.570 -0.069 0.000 2.498 324 I HA 0.386 4.559 4.170 0.005 0.000 0.301 324 I C 0.016 176.129 176.117 -0.007 0.000 0.984 324 I CA -0.810 60.472 61.300 -0.029 0.000 1.204 324 I CB 1.101 39.083 38.000 -0.031 0.000 1.362 324 I HN 0.763 nan 8.210 nan 0.000 0.471 325 R N 3.525 124.044 120.500 0.032 0.000 2.863 325 R HA 0.233 4.576 4.340 0.005 0.000 0.273 325 R C 0.186 176.516 176.300 0.050 0.000 1.057 325 R CA 0.158 56.279 56.100 0.035 0.000 1.191 325 R CB 0.166 30.488 30.300 0.037 0.000 1.104 325 R HN 0.835 nan 8.270 nan 0.000 0.519 326 G N 0.982 109.801 108.800 0.032 0.000 2.441 326 G HA2 0.288 4.251 3.960 0.005 0.000 0.243 326 G HA3 0.288 4.251 3.960 0.005 0.000 0.243 326 G C -0.460 174.434 174.900 -0.010 0.000 1.281 326 G CA -0.457 44.662 45.100 0.031 0.000 0.854 326 G HN 0.266 nan 8.290 nan 0.000 0.560 327 L N 1.206 122.422 121.223 -0.012 0.000 2.334 327 L HA 0.501 4.844 4.340 0.005 0.000 0.273 327 L C -0.738 176.051 176.870 -0.136 0.000 1.013 327 L CA -0.931 53.842 54.840 -0.112 0.000 0.816 327 L CB 2.315 44.353 42.059 -0.034 0.000 1.278 327 L HN 0.412 nan 8.230 nan 0.000 0.431 328 D N 1.667 121.917 120.400 -0.250 0.000 2.575 328 D HA 0.369 5.012 4.640 0.005 0.000 0.250 328 D C -1.398 174.807 176.300 -0.159 0.000 1.279 328 D CA -0.208 53.696 54.000 -0.161 0.000 0.925 328 D CB 2.038 42.759 40.800 -0.131 0.000 1.261 328 D HN 0.060 nan 8.370 nan 0.000 0.567 329 V N 5.251 125.148 119.914 -0.029 0.000 2.347 329 V HA 0.571 4.694 4.120 0.005 0.000 0.280 329 V C 0.286 176.415 176.094 0.058 0.000 1.021 329 V CA -0.495 61.854 62.300 0.082 0.000 0.847 329 V CB 1.251 33.157 31.823 0.138 0.000 0.990 329 V HN 0.389 nan 8.190 nan 0.000 0.444 330 R N 2.355 122.899 120.500 0.074 0.000 2.628 330 R HA 0.749 5.092 4.340 0.005 0.000 0.288 330 R C -0.759 175.578 176.300 0.062 0.000 0.980 330 R CA -0.518 55.612 56.100 0.051 0.000 0.891 330 R CB 2.474 32.792 30.300 0.031 0.000 1.188 330 R HN 0.691 nan 8.270 nan 0.000 0.450 331 T N -0.573 114.007 114.554 0.043 0.000 2.896 331 T HA 0.517 4.870 4.350 0.005 0.000 0.297 331 T C 0.182 174.897 174.700 0.025 0.000 1.108 331 T CA 0.380 62.504 62.100 0.039 0.000 1.004 331 T CB 1.526 70.416 68.868 0.037 0.000 1.159 331 T HN 0.788 nan 8.240 nan 0.000 0.499 332 G N 1.773 110.586 108.800 0.021 0.000 2.225 332 G HA2 -0.204 3.759 3.960 0.005 0.000 0.264 332 G HA3 -0.204 3.759 3.960 0.005 0.000 0.264 332 G C 0.897 175.803 174.900 0.009 0.000 1.060 332 G CA 0.456 45.563 45.100 0.012 0.000 0.833 332 G HN 1.069 nan 8.290 nan 0.000 0.498 333 V N -0.872 119.050 119.914 0.013 0.000 2.871 333 V HA 0.372 4.495 4.120 0.005 0.000 0.256 333 V C 1.243 177.339 176.094 0.003 0.000 1.082 333 V CA 1.789 64.095 62.300 0.010 0.000 1.105 333 V CB -0.102 31.731 31.823 0.017 0.000 0.713 333 V HN 0.432 nan 8.190 nan 0.000 0.473 334 L N 0.164 121.387 121.223 0.001 0.000 2.346 334 L HA 0.447 4.790 4.340 0.005 0.000 0.274 334 L C -1.463 175.397 176.870 -0.016 0.000 1.007 334 L CA -1.515 53.320 54.840 -0.008 0.000 0.818 334 L CB 1.685 43.740 42.059 -0.006 0.000 1.284 334 L HN -0.027 nan 8.230 nan 0.000 0.424 335 P HA 0.054 nan 4.420 nan 0.000 0.214 335 P C 0.487 177.759 177.300 -0.046 0.000 1.163 335 P CA 0.671 63.754 63.100 -0.029 0.000 0.881 335 P CB 0.368 32.052 31.700 -0.026 0.000 0.775 336 R N 0.155 120.624 120.500 -0.052 0.000 3.534 336 R HA 0.382 4.725 4.340 0.005 0.000 0.312 336 R C 0.021 176.259 176.300 -0.105 0.000 1.419 336 R CA 0.203 56.257 56.100 -0.076 0.000 1.262 336 R CB -0.549 29.716 30.300 -0.059 0.000 1.437 336 R HN 0.189 nan 8.270 nan 0.000 0.627 337 T N -2.231 112.254 114.554 -0.115 0.000 2.864 337 T HA 0.268 4.621 4.350 0.005 0.000 0.299 337 T C 0.760 175.370 174.700 -0.150 0.000 1.166 337 T CA -0.531 61.488 62.100 -0.135 0.000 1.007 337 T CB 1.131 69.981 68.868 -0.031 0.000 1.219 337 T HN 0.398 nan 8.240 nan 0.000 0.506 338 H N 1.534 120.605 119.070 0.002 0.000 2.276 338 H HA 0.271 4.830 4.556 0.006 0.000 0.301 338 H C 1.378 176.707 175.328 0.002 0.000 1.073 338 H CA 1.604 57.653 56.048 0.002 0.000 1.311 338 H CB -0.035 29.731 29.762 0.007 0.000 1.379 338 H HN 0.598 nan 8.280 nan 0.000 0.494 339 G N -0.800 108.082 108.800 0.136 0.000 2.461 339 G HA2 0.519 4.482 3.960 0.005 0.000 0.323 339 G HA3 0.519 4.482 3.960 0.005 0.000 0.323 339 G C -1.009 173.918 174.900 0.045 0.000 1.229 339 G CA -0.521 44.623 45.100 0.072 0.000 0.941 339 G HN 0.200 nan 8.290 nan 0.000 0.477 340 S N -0.595 115.125 115.700 0.034 0.000 2.575 340 S HA 0.836 5.309 4.470 0.005 0.000 0.278 340 S C -0.424 174.198 174.600 0.037 0.000 1.139 340 S CA -0.424 57.793 58.200 0.029 0.000 0.954 340 S CB 1.865 65.076 63.200 0.020 0.000 1.054 340 S HN 1.460 nan 8.310 nan 0.000 0.483 341 A N 1.960 124.808 122.820 0.046 0.000 2.547 341 A HA 0.818 5.141 4.320 0.005 0.000 0.297 341 A C -1.817 175.818 177.584 0.085 0.000 1.056 341 A CA -0.575 51.504 52.037 0.069 0.000 0.688 341 A CB 1.361 20.407 19.000 0.076 0.000 1.282 341 A HN 0.771 nan 8.150 nan 0.000 0.400 342 L N 2.397 123.682 121.223 0.102 0.000 2.490 342 L HA 0.637 4.980 4.340 0.005 0.000 0.256 342 L C -1.609 175.346 176.870 0.141 0.000 1.089 342 L CA -0.269 54.631 54.840 0.100 0.000 0.916 342 L CB 0.450 42.540 42.059 0.052 0.000 1.188 342 L HN 0.625 nan 8.230 nan 0.000 0.476 343 F N 3.116 123.086 119.950 0.033 0.000 2.408 343 F HA 0.752 5.283 4.527 0.006 0.000 0.344 343 F C -0.164 175.659 175.800 0.038 0.000 1.112 343 F CA 0.070 58.092 58.000 0.037 0.000 1.096 343 F CB 1.309 40.337 39.000 0.047 0.000 1.129 343 F HN 0.432 nan 8.300 nan 0.000 0.486 344 T N 6.692 120.825 114.554 -0.702 0.000 2.848 344 T HA 0.410 4.763 4.350 0.005 0.000 0.285 344 T C -0.962 173.333 174.700 -0.676 0.000 0.995 344 T CA -0.738 61.071 62.100 -0.485 0.000 0.970 344 T CB 1.468 70.198 68.868 -0.229 0.000 0.976 344 T HN 0.658 nan 8.240 nan 0.000 0.441 345 R N 1.946 122.229 120.500 -0.361 0.000 2.422 345 R HA 0.544 4.887 4.340 0.005 0.000 0.307 345 R C 1.024 177.292 176.300 -0.054 0.000 1.004 345 R CA 0.458 56.447 56.100 -0.184 0.000 0.882 345 R CB 0.097 30.396 30.300 -0.003 0.000 1.164 345 R HN 0.960 nan 8.270 nan 0.000 0.489 346 G N 4.048 112.820 108.800 -0.046 0.000 2.889 346 G HA2 -0.424 3.540 3.960 0.005 0.000 0.308 346 G HA3 -0.424 3.540 3.960 0.005 0.000 0.308 346 G C 0.185 175.077 174.900 -0.012 0.000 1.248 346 G CA 0.646 45.740 45.100 -0.009 0.000 0.982 346 G HN 0.702 nan 8.290 nan 0.000 0.571 347 E N 0.400 120.604 120.200 0.006 0.000 2.995 347 E HA 0.452 4.805 4.350 0.005 0.000 0.203 347 E C 0.184 176.790 176.600 0.010 0.000 0.980 347 E CA 0.451 56.855 56.400 0.006 0.000 1.172 347 E CB 0.444 30.155 29.700 0.019 0.000 1.088 347 E HN 0.890 nan 8.360 nan 0.000 0.463 348 T N -0.887 113.673 114.554 0.010 0.000 2.841 348 T HA 0.457 4.810 4.350 0.005 0.000 0.285 348 T C -0.579 174.133 174.700 0.019 0.000 0.991 348 T CA -0.666 61.453 62.100 0.031 0.000 0.966 348 T CB 1.740 70.654 68.868 0.076 0.000 0.962 348 T HN 0.316 nan 8.240 nan 0.000 0.438 349 Q N 2.001 121.818 119.800 0.027 0.000 2.416 349 Q HA 0.759 5.102 4.340 0.005 0.000 0.281 349 Q C -1.794 174.250 176.000 0.074 0.000 1.067 349 Q CA -1.601 54.228 55.803 0.044 0.000 0.809 349 Q CB 2.281 31.021 28.738 0.003 0.000 1.418 349 Q HN 0.900 nan 8.270 nan 0.000 0.411 350 A N 2.332 125.232 122.820 0.134 0.000 2.357 350 A HA 0.494 4.817 4.320 0.005 0.000 0.295 350 A C -1.300 176.350 177.584 0.109 0.000 1.121 350 A CA -0.670 51.438 52.037 0.119 0.000 0.742 350 A CB 1.209 20.319 19.000 0.184 0.000 1.181 350 A HN 0.685 nan 8.150 nan 0.000 0.454 351 L N 4.382 125.641 121.223 0.061 0.000 2.462 351 L HA 0.407 4.750 4.340 0.005 0.000 0.283 351 L C -0.663 176.234 176.870 0.045 0.000 1.166 351 L CA 0.383 55.254 54.840 0.053 0.000 0.964 351 L CB 0.165 42.246 42.059 0.037 0.000 1.294 351 L HN 0.404 nan 8.230 nan 0.000 0.449 352 V N 3.689 123.639 119.914 0.060 0.000 2.394 352 V HA 0.592 4.715 4.120 0.005 0.000 0.282 352 V C 0.392 176.497 176.094 0.018 0.000 1.031 352 V CA -0.342 61.981 62.300 0.038 0.000 0.881 352 V CB 1.503 33.366 31.823 0.067 0.000 0.982 352 V HN 0.809 nan 8.190 nan 0.000 0.451 353 T N 1.701 116.248 114.554 -0.011 0.000 2.863 353 T HA 0.856 5.210 4.350 0.005 0.000 0.285 353 T C -0.434 174.259 174.700 -0.011 0.000 1.009 353 T CA -0.655 61.446 62.100 0.001 0.000 0.989 353 T CB 1.997 70.870 68.868 0.008 0.000 1.004 353 T HN 0.976 nan 8.240 nan 0.000 0.455 354 A N 2.300 125.136 122.820 0.026 0.000 2.318 354 A HA 0.751 5.074 4.320 0.005 0.000 0.324 354 A C 0.019 177.651 177.584 0.080 0.000 1.170 354 A CA -0.808 51.253 52.037 0.040 0.000 0.810 354 A CB 0.914 19.943 19.000 0.048 0.000 1.198 354 A HN 0.891 nan 8.150 nan 0.000 0.484 355 T N 3.061 117.652 114.554 0.062 0.000 2.824 355 T HA 0.549 4.902 4.350 0.005 0.000 0.282 355 T C -0.317 174.353 174.700 -0.050 0.000 0.993 355 T CA -0.252 61.884 62.100 0.060 0.000 0.967 355 T CB 0.872 69.791 68.868 0.084 0.000 0.960 355 T HN 0.473 nan 8.240 nan 0.000 0.441 356 L N 2.325 123.352 121.223 -0.326 0.000 2.334 356 L HA 0.817 5.160 4.340 0.005 0.000 0.277 356 L C 0.888 177.657 176.870 -0.168 0.000 1.075 356 L CA -0.287 54.385 54.840 -0.279 0.000 0.804 356 L CB 1.249 43.016 42.059 -0.486 0.000 1.174 356 L HN 0.874 nan 8.230 nan 0.000 0.438 357 G N 0.226 109.030 108.800 0.006 0.000 2.870 357 G HA2 0.665 4.628 3.960 0.005 0.000 0.299 357 G HA3 0.665 4.628 3.960 0.005 0.000 0.299 357 G C -1.043 173.932 174.900 0.126 0.000 1.324 357 G CA -0.155 44.980 45.100 0.058 0.000 0.808 357 G HN 0.528 nan 8.290 nan 0.000 0.535 358 T N -3.159 111.435 114.554 0.066 0.000 2.927 358 T HA 0.609 4.963 4.350 0.005 0.000 0.286 358 T C 1.546 176.239 174.700 -0.012 0.000 1.040 358 T CA 0.548 62.653 62.100 0.007 0.000 1.010 358 T CB 1.524 70.390 68.868 -0.003 0.000 1.177 358 T HN 1.369 nan 8.240 nan 0.000 0.546 359 A N -0.024 122.765 122.820 -0.052 0.000 2.131 359 A HA -0.040 4.283 4.320 0.005 0.000 0.220 359 A C 2.340 179.918 177.584 -0.010 0.000 1.158 359 A CA 1.333 53.350 52.037 -0.034 0.000 0.665 359 A CB -0.868 18.098 19.000 -0.057 0.000 0.795 359 A HN 0.855 nan 8.150 nan 0.000 0.460 360 R N -0.295 120.201 120.500 -0.007 0.000 2.148 360 R HA -0.092 4.252 4.340 0.005 0.000 0.223 360 R C 0.334 176.642 176.300 0.014 0.000 1.088 360 R CA 1.352 57.454 56.100 0.003 0.000 0.985 360 R CB -0.078 30.224 30.300 0.002 0.000 0.880 360 R HN 0.426 nan 8.270 nan 0.000 0.451 361 D N 0.370 120.782 120.400 0.020 0.000 2.328 361 D HA 0.067 4.711 4.640 0.005 0.000 0.226 361 D C -0.114 176.208 176.300 0.038 0.000 1.066 361 D CA 0.176 54.194 54.000 0.030 0.000 0.861 361 D CB 0.464 41.286 40.800 0.036 0.000 0.912 361 D HN 0.206 nan 8.370 nan 0.000 0.521 362 A N 0.881 123.722 122.820 0.035 0.000 2.425 362 A HA 0.111 4.434 4.320 0.005 0.000 0.249 362 A C 0.485 178.094 177.584 0.041 0.000 1.084 362 A CA -0.238 51.824 52.037 0.042 0.000 0.781 362 A CB 0.410 19.433 19.000 0.037 0.000 1.019 362 A HN 0.084 nan 8.150 nan 0.000 0.490 363 Q N 1.823 121.651 119.800 0.047 0.000 2.293 363 Q HA 0.389 4.732 4.340 0.005 0.000 0.263 363 Q C -1.100 174.924 176.000 0.041 0.000 1.002 363 Q CA -0.277 55.553 55.803 0.046 0.000 0.910 363 Q CB 0.574 29.343 28.738 0.053 0.000 1.185 363 Q HN 0.516 nan 8.270 nan 0.000 0.401 364 V N 6.975 126.911 119.914 0.038 0.000 2.339 364 V HA 0.170 4.293 4.120 0.005 0.000 0.261 364 V C 0.053 176.168 176.094 0.036 0.000 1.058 364 V CA -0.347 61.974 62.300 0.034 0.000 0.897 364 V CB 0.300 32.141 31.823 0.030 0.000 1.052 364 V HN 0.727 nan 8.190 nan 0.000 0.480 365 L N 4.033 125.277 121.223 0.036 0.000 2.315 365 L HA 0.308 4.652 4.340 0.005 0.000 0.283 365 L C 0.533 177.423 176.870 0.034 0.000 1.089 365 L CA -0.197 54.665 54.840 0.037 0.000 0.833 365 L CB 0.561 42.642 42.059 0.036 0.000 1.170 365 L HN 0.528 nan 8.230 nan 0.000 0.442 366 D N 3.723 124.144 120.400 0.035 0.000 2.713 366 D HA 0.070 4.713 4.640 0.005 0.000 0.229 366 D C 0.184 176.502 176.300 0.030 0.000 1.136 366 D CA -0.119 53.900 54.000 0.032 0.000 1.010 366 D CB 0.193 41.014 40.800 0.034 0.000 1.084 366 D HN 0.430 nan 8.370 nan 0.000 0.495 367 E N 0.732 120.949 120.200 0.029 0.000 2.373 367 E HA 0.040 4.393 4.350 0.005 0.000 0.263 367 E C 1.152 177.764 176.600 0.021 0.000 1.073 367 E CA -0.657 55.761 56.400 0.029 0.000 0.894 367 E CB 1.438 31.158 29.700 0.032 0.000 1.008 367 E HN 0.242 nan 8.360 nan 0.000 0.420 368 L N 2.831 124.064 121.223 0.017 0.000 1.951 368 L HA -0.216 4.127 4.340 0.005 0.000 0.222 368 L C 1.285 178.157 176.870 0.003 0.000 1.078 368 L CA 2.569 57.409 54.840 0.001 0.000 0.778 368 L CB -0.503 41.553 42.059 -0.004 0.000 0.893 368 L HN 0.677 nan 8.230 nan 0.000 0.436 369 M N -0.629 118.976 119.600 0.009 0.000 2.208 369 M HA 0.668 5.151 4.480 0.005 0.000 0.352 369 M C 0.308 176.616 176.300 0.013 0.000 1.137 369 M CA 0.249 55.554 55.300 0.008 0.000 1.091 369 M CB -0.800 31.804 32.600 0.005 0.000 1.309 369 M HN 0.707 nan 8.290 nan 0.000 0.408 370 G N 0.895 109.703 108.800 0.013 0.000 2.337 370 G HA2 0.436 4.399 3.960 0.005 0.000 0.310 370 G HA3 0.436 4.399 3.960 0.005 0.000 0.310 370 G C -0.732 174.178 174.900 0.018 0.000 1.534 370 G CA -0.307 44.803 45.100 0.016 0.000 0.982 370 G HN 0.789 nan 8.290 nan 0.000 0.672 371 E N -0.548 119.663 120.200 0.018 0.000 2.810 371 E HA 0.165 4.518 4.350 0.005 0.000 0.214 371 E C 0.970 177.582 176.600 0.021 0.000 0.980 371 E CA -0.520 55.892 56.400 0.019 0.000 1.159 371 E CB 0.478 30.187 29.700 0.016 0.000 1.047 371 E HN 0.743 nan 8.360 nan 0.000 0.484 372 R N 0.018 120.532 120.500 0.023 0.000 2.679 372 R HA 0.302 4.645 4.340 0.005 0.000 0.268 372 R C -0.414 175.904 176.300 0.030 0.000 1.044 372 R CA 0.253 56.368 56.100 0.026 0.000 1.105 372 R CB 0.033 30.351 30.300 0.029 0.000 0.989 372 R HN -0.247 nan 8.270 nan 0.000 0.447 373 T N 1.906 116.479 114.554 0.031 0.000 2.770 373 T HA 0.113 4.466 4.350 0.005 0.000 0.283 373 T C -0.793 173.934 174.700 0.045 0.000 0.988 373 T CA -0.634 61.487 62.100 0.035 0.000 0.957 373 T CB 1.279 70.164 68.868 0.029 0.000 0.930 373 T HN 0.493 nan 8.240 nan 0.000 0.443 374 D N 1.499 121.929 120.400 0.050 0.000 2.264 374 D HA 0.189 4.833 4.640 0.005 0.000 0.250 374 D C 0.945 177.294 176.300 0.081 0.000 1.113 374 D CA 0.045 54.086 54.000 0.067 0.000 0.871 374 D CB 1.946 42.779 40.800 0.055 0.000 1.167 374 D HN 0.540 nan 8.370 nan 0.000 0.447 375 T N 2.967 117.591 114.554 0.117 0.000 3.040 375 T HA 0.063 4.416 4.350 0.005 0.000 0.252 375 T C 0.273 175.107 174.700 0.223 0.000 1.064 375 T CA -0.066 62.117 62.100 0.139 0.000 1.110 375 T CB -0.058 68.885 68.868 0.127 0.000 0.921 375 T HN 0.272 nan 8.240 nan 0.000 0.480 376 F N 2.322 122.311 119.950 0.066 0.000 2.436 376 F HA 0.685 5.215 4.527 0.005 0.000 0.340 376 F C -1.259 174.580 175.800 0.065 0.000 1.113 376 F CA -1.974 56.071 58.000 0.076 0.000 1.022 376 F CB 0.910 39.962 39.000 0.085 0.000 1.128 376 F HN -0.054 nan 8.300 nan 0.000 0.466 377 L N 6.847 127.720 121.223 -0.584 0.000 2.365 377 L HA 0.503 4.846 4.340 0.005 0.000 0.273 377 L C -1.419 174.973 176.870 -0.797 0.000 1.000 377 L CA -0.755 53.751 54.840 -0.557 0.000 0.819 377 L CB 2.205 44.141 42.059 -0.206 0.000 1.284 377 L HN 0.620 nan 8.230 nan 0.000 0.418 378 F N 2.274 121.754 119.950 -0.783 0.000 2.536 378 F HA 0.479 5.009 4.527 0.005 0.000 0.322 378 F C -0.489 175.015 175.800 -0.494 0.000 1.144 378 F CA -0.431 57.256 58.000 -0.522 0.000 0.924 378 F CB 1.248 40.024 39.000 -0.372 0.000 1.181 378 F HN 0.408 nan 8.300 nan 0.000 0.438 379 H N 5.261 124.399 119.070 0.114 0.000 2.589 379 H HA 0.179 4.738 4.556 0.005 0.000 0.335 379 H C -1.640 173.855 175.328 0.278 0.000 1.019 379 H CA -0.591 55.560 56.048 0.171 0.000 1.213 379 H CB 2.053 31.840 29.762 0.043 0.000 1.472 379 H HN 0.626 nan 8.280 nan 0.000 0.508 380 Y N 3.675 124.160 120.300 0.308 0.000 2.331 380 Y HA 0.256 4.809 4.550 0.005 0.000 0.338 380 Y C -0.765 175.263 175.900 0.213 0.000 0.992 380 Y CA -0.632 57.630 58.100 0.270 0.000 1.121 380 Y CB 0.822 39.441 38.460 0.265 0.000 1.184 380 Y HN 0.499 nan 8.280 nan 0.000 0.469 381 N N 6.496 125.028 118.700 -0.280 0.000 2.354 381 N HA 0.225 4.969 4.740 0.005 0.000 0.287 381 N C -1.905 173.411 175.510 -0.324 0.000 1.016 381 N CA -0.419 52.525 53.050 -0.177 0.000 0.871 381 N CB 1.558 39.990 38.487 -0.090 0.000 1.299 381 N HN 0.646 nan 8.380 nan 0.000 0.482 382 F N 3.811 123.615 119.950 -0.243 0.000 2.363 382 F HA 0.438 4.968 4.527 0.005 0.000 0.366 382 F C -2.179 173.531 175.800 -0.149 0.000 1.083 382 F CA -1.792 56.091 58.000 -0.194 0.000 1.176 382 F CB 0.930 39.943 39.000 0.022 0.000 1.432 382 F HN 0.285 nan 8.300 nan 0.000 0.482 383 P HA 0.257 nan 4.420 nan 0.000 0.276 383 P C -2.136 174.926 177.300 -0.397 0.000 1.252 383 P CA -1.454 61.450 63.100 -0.326 0.000 0.802 383 P CB 0.432 31.874 31.700 -0.430 0.000 1.035 384 P HA -0.159 nan 4.420 nan 0.000 0.220 384 P C 1.151 178.388 177.300 -0.105 0.000 1.148 384 P CA 1.454 64.510 63.100 -0.073 0.000 0.803 384 P CB -0.372 31.343 31.700 0.025 0.000 0.782 385 Y N 0.115 120.346 120.300 -0.115 0.000 2.616 385 Y HA 0.043 4.596 4.550 0.005 0.000 0.296 385 Y C 2.186 177.997 175.900 -0.149 0.000 1.154 385 Y CA 0.649 58.684 58.100 -0.110 0.000 1.325 385 Y CB -1.582 36.825 38.460 -0.089 0.000 1.007 385 Y HN -0.038 nan 8.280 nan 0.000 0.542 386 S N 0.718 116.067 115.700 -0.587 0.000 2.371 386 S HA -0.177 4.296 4.470 0.005 0.000 0.224 386 S C 1.751 176.188 174.600 -0.271 0.000 1.029 386 S CA 1.207 59.091 58.200 -0.527 0.000 0.978 386 S CB -1.164 61.490 63.200 -0.910 0.000 0.833 386 S HN 0.493 nan 8.310 nan 0.000 0.466 387 V N -1.889 117.898 119.914 -0.212 0.000 3.406 387 V HA 0.586 4.709 4.120 0.005 0.000 0.263 387 V C 1.494 177.537 176.094 -0.085 0.000 1.172 387 V CA 0.136 62.379 62.300 -0.096 0.000 1.140 387 V CB -1.143 30.676 31.823 -0.007 0.000 0.784 387 V HN 0.942 nan 8.190 nan 0.000 0.467 388 G N 0.043 108.808 108.800 -0.058 0.000 2.203 388 G HA2 -0.181 3.782 3.960 0.005 0.000 0.231 388 G HA3 -0.181 3.782 3.960 0.005 0.000 0.231 388 G C -0.257 174.635 174.900 -0.012 0.000 1.058 388 G CA 0.333 45.420 45.100 -0.021 0.000 0.781 388 G HN 0.672 nan 8.290 nan 0.000 0.496 389 E N -0.784 119.413 120.200 -0.004 0.000 2.404 389 E HA 0.739 5.092 4.350 0.005 0.000 0.264 389 E C -0.037 176.577 176.600 0.022 0.000 0.946 389 E CA -0.463 55.940 56.400 0.006 0.000 0.806 389 E CB 1.526 31.229 29.700 0.004 0.000 1.334 389 E HN 0.380 nan 8.360 nan 0.000 0.429 390 T N -1.408 113.159 114.554 0.022 0.000 2.797 390 T HA 0.772 5.125 4.350 0.005 0.000 0.279 390 T C 0.062 174.778 174.700 0.028 0.000 0.991 390 T CA -0.662 61.454 62.100 0.028 0.000 0.979 390 T CB 1.558 70.439 68.868 0.022 0.000 0.943 390 T HN 0.586 nan 8.240 nan 0.000 0.444 391 G N 2.188 111.008 108.800 0.033 0.000 2.911 391 G HA2 0.615 4.578 3.960 0.005 0.000 0.299 391 G HA3 0.615 4.578 3.960 0.005 0.000 0.299 391 G C -1.408 173.512 174.900 0.034 0.000 1.283 391 G CA -1.058 44.062 45.100 0.034 0.000 0.805 391 G HN 0.658 nan 8.290 nan 0.000 0.548 392 M N 0.929 120.549 119.600 0.034 0.000 2.294 392 M HA 0.521 5.004 4.480 0.005 0.000 0.335 392 M C -0.765 175.557 176.300 0.038 0.000 1.079 392 M CA -0.869 54.450 55.300 0.032 0.000 0.982 392 M CB 1.245 33.861 32.600 0.026 0.000 1.651 392 M HN 0.307 nan 8.290 nan 0.000 0.437 393 V N 3.335 123.271 119.914 0.035 0.000 2.417 393 V HA 0.941 5.064 4.120 0.005 0.000 0.291 393 V C 0.125 176.237 176.094 0.030 0.000 1.024 393 V CA 0.442 62.764 62.300 0.037 0.000 0.861 393 V CB 1.399 33.246 31.823 0.039 0.000 0.985 393 V HN 1.068 nan 8.190 nan 0.000 0.436 394 G N 4.334 113.153 108.800 0.032 0.000 3.420 394 G HA2 0.185 4.148 3.960 0.005 0.000 0.142 394 G HA3 0.185 4.148 3.960 0.005 0.000 0.142 394 G C -0.201 174.717 174.900 0.029 0.000 1.209 394 G CA 0.324 45.440 45.100 0.026 0.000 1.454 394 G HN 0.705 nan 8.290 nan 0.000 0.728 395 S N 2.625 118.344 115.700 0.033 0.000 2.525 395 S HA 0.586 5.060 4.470 0.005 0.000 0.278 395 S C -2.552 172.079 174.600 0.053 0.000 1.234 395 S CA -0.609 57.614 58.200 0.038 0.000 1.058 395 S CB 1.455 64.676 63.200 0.035 0.000 0.983 395 S HN 0.314 nan 8.310 nan 0.000 0.495 396 P HA 0.073 nan 4.420 nan 0.000 0.260 396 P C -0.253 177.097 177.300 0.083 0.000 1.185 396 P CA 0.146 63.300 63.100 0.090 0.000 0.763 396 P CB 0.263 32.029 31.700 0.109 0.000 0.776 397 K N 2.552 123.007 120.400 0.092 0.000 2.180 397 K HA 0.153 4.476 4.320 0.005 0.000 0.251 397 K C 1.605 178.240 176.600 0.058 0.000 1.014 397 K CA -0.338 55.990 56.287 0.070 0.000 0.913 397 K CB 0.525 33.068 32.500 0.073 0.000 1.008 397 K HN 0.311 nan 8.250 nan 0.000 0.490 398 R N 0.983 121.499 120.500 0.026 0.000 2.105 398 R HA -0.179 4.164 4.340 0.005 0.000 0.239 398 R C 2.226 178.501 176.300 -0.042 0.000 1.135 398 R CA 1.422 57.520 56.100 -0.003 0.000 0.967 398 R CB -0.204 30.089 30.300 -0.013 0.000 0.861 398 R HN 0.472 nan 8.270 nan 0.000 0.442 399 R N 1.164 121.641 120.500 -0.039 0.000 2.115 399 R HA -0.115 4.228 4.340 0.005 0.000 0.230 399 R C 1.681 177.971 176.300 -0.015 0.000 1.111 399 R CA 1.344 57.382 56.100 -0.103 0.000 0.976 399 R CB 0.137 30.409 30.300 -0.048 0.000 0.870 399 R HN 0.345 nan 8.270 nan 0.000 0.445 400 E N -0.088 120.199 120.200 0.144 0.000 2.112 400 E HA -0.128 4.225 4.350 0.005 0.000 0.190 400 E C 1.897 178.629 176.600 0.221 0.000 0.979 400 E CA 1.082 57.688 56.400 0.345 0.000 0.814 400 E CB 0.047 29.950 29.700 0.338 0.000 0.762 400 E HN 0.375 nan 8.360 nan 0.000 0.460 401 I N 0.737 121.365 120.570 0.098 0.000 2.353 401 I HA -0.104 4.069 4.170 0.005 0.000 0.248 401 I C 2.511 178.604 176.117 -0.039 0.000 1.119 401 I CA 0.985 62.317 61.300 0.054 0.000 1.417 401 I CB -0.418 37.606 38.000 0.042 0.000 1.078 401 I HN 0.106 nan 8.210 nan 0.000 0.421 402 G N 0.168 108.888 108.800 -0.133 0.000 2.404 402 G HA2 -0.230 3.733 3.960 0.005 0.000 0.215 402 G HA3 -0.230 3.733 3.960 0.005 0.000 0.215 402 G C 1.403 176.121 174.900 -0.303 0.000 1.174 402 G CA 0.772 45.725 45.100 -0.245 0.000 0.780 402 G HN 0.441 nan 8.290 nan 0.000 0.537 403 H N -0.219 118.696 119.070 -0.258 0.000 2.470 403 H HA 0.108 4.668 4.556 0.006 0.000 0.289 403 H C 2.794 177.870 175.328 -0.421 0.000 1.033 403 H CA 0.391 56.158 56.048 -0.468 0.000 1.331 403 H CB 0.176 29.381 29.762 -0.929 0.000 1.414 403 H HN 0.389 nan 8.280 nan 0.000 0.545 404 G N 0.696 109.441 108.800 -0.092 0.000 2.418 404 G HA2 -0.301 3.663 3.960 0.005 0.000 0.217 404 G HA3 -0.301 3.663 3.960 0.005 0.000 0.217 404 G C 1.767 176.582 174.900 -0.141 0.000 1.158 404 G CA 0.650 45.773 45.100 0.038 0.000 0.771 404 G HN 0.217 nan 8.290 nan 0.000 0.545 405 R N -0.186 120.238 120.500 -0.127 0.000 2.115 405 R HA 0.137 4.480 4.340 0.005 0.000 0.226 405 R C 2.321 178.508 176.300 -0.188 0.000 1.100 405 R CA 0.751 56.767 56.100 -0.140 0.000 0.980 405 R CB -0.712 29.534 30.300 -0.091 0.000 0.875 405 R HN 0.330 nan 8.270 nan 0.000 0.445 406 L N 0.001 121.106 121.223 -0.196 0.000 2.093 406 L HA 0.086 4.429 4.340 0.005 0.000 0.208 406 L C 1.932 178.653 176.870 -0.249 0.000 1.085 406 L CA 2.129 56.857 54.840 -0.187 0.000 0.755 406 L CB -0.693 41.279 42.059 -0.146 0.000 0.904 406 L HN 0.228 nan 8.230 nan 0.000 0.435 407 A N -1.027 121.561 122.820 -0.386 0.000 2.016 407 A HA -0.160 4.163 4.320 0.005 0.000 0.217 407 A C 2.399 179.521 177.584 -0.768 0.000 1.162 407 A CA 1.373 53.069 52.037 -0.569 0.000 0.662 407 A CB -0.485 18.093 19.000 -0.702 0.000 0.812 407 A HN 0.466 nan 8.150 nan 0.000 0.450 408 K N -0.444 119.530 120.400 -0.711 0.000 2.217 408 K HA -0.074 4.249 4.320 0.005 0.000 0.202 408 K C 2.008 178.573 176.600 -0.058 0.000 1.051 408 K CA 0.506 56.620 56.287 -0.288 0.000 0.952 408 K CB -0.079 32.344 32.500 -0.128 0.000 0.736 408 K HN 0.246 nan 8.250 nan 0.000 0.453 409 R N -0.402 120.025 120.500 -0.122 0.000 2.127 409 R HA -0.095 4.248 4.340 0.005 0.000 0.238 409 R C 2.164 178.425 176.300 -0.065 0.000 1.134 409 R CA 1.546 57.602 56.100 -0.074 0.000 0.975 409 R CB -0.525 29.718 30.300 -0.096 0.000 0.865 409 R HN 0.341 nan 8.270 nan 0.000 0.447 410 G N -0.477 108.270 108.800 -0.088 0.000 2.683 410 G HA2 0.001 3.964 3.960 0.005 0.000 0.213 410 G HA3 0.001 3.964 3.960 0.005 0.000 0.213 410 G C 1.358 176.232 174.900 -0.043 0.000 1.142 410 G CA 0.013 45.071 45.100 -0.070 0.000 0.793 410 G HN 0.135 nan 8.290 nan 0.000 0.534 411 V N 0.236 120.145 119.914 -0.007 0.000 2.949 411 V HA 0.105 4.228 4.120 0.005 0.000 0.245 411 V C 2.409 178.429 176.094 -0.124 0.000 1.086 411 V CA 0.509 62.808 62.300 -0.002 0.000 1.097 411 V CB 0.113 32.055 31.823 0.199 0.000 0.762 411 V HN 0.287 nan 8.190 nan 0.000 0.470 412 L N 1.351 122.538 121.223 -0.059 0.000 2.079 412 L HA -0.096 4.247 4.340 0.005 0.000 0.210 412 L C 2.413 179.226 176.870 -0.095 0.000 1.081 412 L CA 2.324 57.105 54.840 -0.098 0.000 0.752 412 L CB -0.605 41.491 42.059 0.063 0.000 0.896 412 L HN 0.249 nan 8.230 nan 0.000 0.433 413 A N -1.878 120.904 122.820 -0.064 0.000 2.014 413 A HA -0.093 4.230 4.320 0.005 0.000 0.218 413 A C 2.266 179.810 177.584 -0.067 0.000 1.163 413 A CA 1.541 53.546 52.037 -0.054 0.000 0.652 413 A CB -0.708 18.266 19.000 -0.044 0.000 0.808 413 A HN 0.280 nan 8.150 nan 0.000 0.449 414 V N -0.365 119.497 119.914 -0.086 0.000 3.506 414 V HA 0.184 4.308 4.120 0.005 0.000 0.263 414 V C 0.928 176.954 176.094 -0.112 0.000 1.203 414 V CA 0.143 62.391 62.300 -0.086 0.000 1.133 414 V CB -0.394 31.383 31.823 -0.077 0.000 0.802 414 V HN 0.546 nan 8.190 nan 0.000 0.459 415 M N 2.338 121.843 119.600 -0.157 0.000 2.248 415 M HA 0.262 4.745 4.480 0.005 0.000 0.337 415 M C -1.927 174.302 176.300 -0.118 0.000 1.121 415 M CA -1.209 53.977 55.300 -0.190 0.000 1.155 415 M CB 0.901 33.308 32.600 -0.321 0.000 1.514 415 M HN 0.076 nan 8.290 nan 0.000 0.452 416 P HA 0.101 nan 4.420 nan 0.000 0.274 416 P C -1.093 176.211 177.300 0.008 0.000 1.246 416 P CA -0.255 62.819 63.100 -0.044 0.000 0.795 416 P CB 0.489 32.157 31.700 -0.053 0.000 1.006 417 D N 0.797 121.215 120.400 0.031 0.000 2.377 417 D HA 0.086 4.729 4.640 0.005 0.000 0.245 417 D C 1.637 177.989 176.300 0.086 0.000 1.196 417 D CA -0.217 53.810 54.000 0.045 0.000 0.962 417 D CB 0.523 41.341 40.800 0.031 0.000 1.127 417 D HN 0.227 nan 8.370 nan 0.000 0.471 418 M N 0.585 120.225 119.600 0.067 0.000 2.394 418 M HA -0.090 4.393 4.480 0.005 0.000 0.264 418 M C 0.923 177.245 176.300 0.036 0.000 1.073 418 M CA 1.040 56.376 55.300 0.060 0.000 1.111 418 M CB -0.463 32.156 32.600 0.031 0.000 1.401 418 M HN 0.263 nan 8.290 nan 0.000 0.448 419 D N 0.535 120.956 120.400 0.036 0.000 2.144 419 D HA -0.092 4.551 4.640 0.005 0.000 0.200 419 D C 1.905 178.231 176.300 0.043 0.000 0.978 419 D CA 1.148 55.162 54.000 0.024 0.000 0.833 419 D CB 0.029 40.841 40.800 0.020 0.000 0.961 419 D HN 0.359 nan 8.370 nan 0.000 0.470 420 K N -1.124 119.326 120.400 0.083 0.000 2.211 420 K HA 0.058 4.381 4.320 0.005 0.000 0.201 420 K C 0.082 176.823 176.600 0.235 0.000 1.052 420 K CA 0.131 56.492 56.287 0.123 0.000 0.973 420 K CB 0.667 33.232 32.500 0.108 0.000 0.766 420 K HN 0.002 nan 8.250 nan 0.000 0.466 421 F N 2.343 122.319 119.950 0.043 0.000 2.771 421 F HA 0.255 4.785 4.527 0.005 0.000 0.365 421 F C -2.556 173.283 175.800 0.066 0.000 1.169 421 F CA -2.591 55.468 58.000 0.100 0.000 1.093 421 F CB 1.734 40.795 39.000 0.102 0.000 1.363 421 F HN -0.174 nan 8.300 nan 0.000 0.496 422 P HA 0.171 nan 4.420 nan 0.000 0.218 422 P C -1.505 175.402 177.300 -0.655 0.000 1.826 422 P CA 0.126 62.996 63.100 -0.383 0.000 0.946 422 P CB -0.518 30.949 31.700 -0.388 0.000 1.728 423 Y N -0.252 119.800 120.300 -0.414 0.000 2.376 423 Y HA 0.333 4.886 4.550 0.006 0.000 0.340 423 Y C 1.082 176.960 175.900 -0.036 0.000 0.965 423 Y CA -0.819 57.098 58.100 -0.304 0.000 1.078 423 Y CB 1.504 39.635 38.460 -0.548 0.000 1.193 423 Y HN -0.158 nan 8.280 nan 0.000 0.452 424 T N 0.514 115.149 114.554 0.135 0.000 2.779 424 T HA 0.486 4.839 4.350 0.005 0.000 0.296 424 T C -0.355 174.457 174.700 0.187 0.000 0.938 424 T CA -0.615 61.577 62.100 0.153 0.000 1.119 424 T CB 0.016 68.941 68.868 0.095 0.000 0.891 424 T HN 0.321 nan 8.240 nan 0.000 0.526 425 V N 4.621 124.690 119.914 0.258 0.000 2.398 425 V HA 0.523 4.646 4.120 0.005 0.000 0.286 425 V C 0.451 176.671 176.094 0.210 0.000 1.026 425 V CA -0.993 61.463 62.300 0.259 0.000 0.868 425 V CB 1.319 33.345 31.823 0.338 0.000 0.982 425 V HN 0.905 nan 8.190 nan 0.000 0.443 426 R N 3.366 123.925 120.500 0.099 0.000 2.387 426 R HA 0.714 5.057 4.340 0.005 0.000 0.314 426 R C -1.701 174.574 176.300 -0.042 0.000 0.958 426 R CA -0.403 55.700 56.100 0.006 0.000 0.846 426 R CB 1.869 32.194 30.300 0.043 0.000 1.147 426 R HN 0.559 nan 8.270 nan 0.000 0.447 427 V N 5.448 125.232 119.914 -0.217 0.000 2.378 427 V HA 0.337 4.461 4.120 0.005 0.000 0.288 427 V C -0.436 175.394 176.094 -0.439 0.000 1.016 427 V CA -0.731 61.350 62.300 -0.365 0.000 0.840 427 V CB 1.805 33.274 31.823 -0.590 0.000 0.994 427 V HN 0.478 nan 8.190 nan 0.000 0.431 428 V N 3.774 123.555 119.914 -0.223 0.000 2.384 428 V HA 0.496 4.619 4.120 0.005 0.000 0.287 428 V C 0.188 176.230 176.094 -0.087 0.000 1.020 428 V CA -0.305 61.934 62.300 -0.103 0.000 0.850 428 V CB 1.823 33.632 31.823 -0.024 0.000 0.987 428 V HN 0.817 nan 8.190 nan 0.000 0.436 429 S N 3.857 119.545 115.700 -0.021 0.000 2.437 429 S HA 0.521 4.995 4.470 0.005 0.000 0.305 429 S C -0.589 173.986 174.600 -0.042 0.000 1.109 429 S CA -0.625 57.597 58.200 0.037 0.000 1.099 429 S CB 0.747 64.088 63.200 0.235 0.000 1.004 429 S HN 0.715 nan 8.310 nan 0.000 0.475 430 E N 4.277 124.451 120.200 -0.043 0.000 2.145 430 E HA 0.301 4.654 4.350 0.005 0.000 0.262 430 E C -0.574 175.958 176.600 -0.115 0.000 0.883 430 E CA -0.632 55.716 56.400 -0.087 0.000 0.748 430 E CB 1.084 30.770 29.700 -0.022 0.000 1.140 430 E HN 0.550 nan 8.360 nan 0.000 0.417 431 I N 3.532 123.952 120.570 -0.250 0.000 2.363 431 I HA 0.022 4.195 4.170 0.005 0.000 0.292 431 I C 1.627 177.522 176.117 -0.370 0.000 1.075 431 I CA 0.156 61.289 61.300 -0.279 0.000 1.333 431 I CB 0.007 37.777 38.000 -0.383 0.000 1.415 431 I HN 0.379 nan 8.210 nan 0.000 0.502 432 T N 2.507 116.955 114.554 -0.177 0.000 3.044 432 T HA 0.111 4.464 4.350 0.005 0.000 0.255 432 T C 0.477 175.108 174.700 -0.114 0.000 1.073 432 T CA 0.016 62.079 62.100 -0.062 0.000 1.125 432 T CB 0.188 69.127 68.868 0.118 0.000 0.908 432 T HN 0.689 nan 8.240 nan 0.000 0.480 433 E N 0.048 120.173 120.200 -0.126 0.000 2.343 433 E HA 0.630 4.983 4.350 0.005 0.000 0.278 433 E C -1.635 174.914 176.600 -0.085 0.000 0.910 433 E CA -1.051 55.284 56.400 -0.108 0.000 0.757 433 E CB 1.987 31.667 29.700 -0.034 0.000 1.218 433 E HN -0.020 nan 8.360 nan 0.000 0.435 434 S N 1.109 116.770 115.700 -0.066 0.000 2.575 434 S HA 0.450 4.923 4.470 0.005 0.000 0.278 434 S C -0.922 173.725 174.600 0.079 0.000 1.139 434 S CA -0.374 57.855 58.200 0.048 0.000 0.954 434 S CB 1.552 64.847 63.200 0.158 0.000 1.054 434 S HN 0.692 nan 8.310 nan 0.000 0.483 435 N N 3.231 121.992 118.700 0.102 0.000 2.690 435 N HA 0.295 5.038 4.740 0.005 0.000 0.262 435 N C 1.115 176.701 175.510 0.127 0.000 0.936 435 N CA 1.073 54.187 53.050 0.107 0.000 0.990 435 N CB -0.286 38.253 38.487 0.088 0.000 1.677 435 N HN 0.629 nan 8.380 nan 0.000 0.826 436 G N -0.011 108.855 108.800 0.110 0.000 3.197 436 G HA2 0.175 4.138 3.960 0.005 0.000 0.167 436 G HA3 0.175 4.138 3.960 0.005 0.000 0.167 436 G C -0.527 174.423 174.900 0.084 0.000 1.914 436 G CA 0.207 45.366 45.100 0.099 0.000 0.956 436 G HN 0.275 nan 8.290 nan 0.000 0.480 437 S N -0.632 115.115 115.700 0.077 0.000 2.520 437 S HA 0.481 4.954 4.470 0.005 0.000 0.324 437 S C 0.836 175.485 174.600 0.081 0.000 1.069 437 S CA -0.402 57.825 58.200 0.045 0.000 1.121 437 S CB 1.245 64.461 63.200 0.027 0.000 0.971 437 S HN 0.284 nan 8.310 nan 0.000 0.463 438 S N 2.890 118.648 115.700 0.096 0.000 2.478 438 S HA -0.052 4.421 4.470 0.005 0.000 0.222 438 S C 2.141 176.867 174.600 0.210 0.000 1.008 438 S CA 0.841 59.161 58.200 0.200 0.000 0.928 438 S CB -0.014 63.383 63.200 0.328 0.000 0.781 438 S HN 0.898 nan 8.310 nan 0.000 0.518 439 S N 1.814 117.500 115.700 -0.023 0.000 2.387 439 S HA 0.039 4.512 4.470 0.005 0.000 0.226 439 S C 1.757 176.329 174.600 -0.046 0.000 1.026 439 S CA 0.789 58.889 58.200 -0.167 0.000 0.972 439 S CB -0.330 62.582 63.200 -0.481 0.000 0.814 439 S HN 0.251 nan 8.310 nan 0.000 0.477 440 M N 1.535 121.120 119.600 -0.026 0.000 2.447 440 M HA 0.333 4.816 4.480 0.005 0.000 0.264 440 M C 2.433 178.748 176.300 0.025 0.000 1.095 440 M CA 0.972 56.263 55.300 -0.014 0.000 1.125 440 M CB -1.571 31.021 32.600 -0.012 0.000 1.389 440 M HN 0.549 nan 8.290 nan 0.000 0.459 441 A N -0.484 122.398 122.820 0.104 0.000 2.066 441 A HA -0.016 4.307 4.320 0.005 0.000 0.218 441 A C 2.384 180.042 177.584 0.123 0.000 1.157 441 A CA 1.361 53.503 52.037 0.174 0.000 0.670 441 A CB -0.488 18.714 19.000 0.336 0.000 0.804 441 A HN 0.426 nan 8.150 nan 0.000 0.453 442 S N -0.245 115.560 115.700 0.175 0.000 2.402 442 S HA -0.095 4.378 4.470 0.005 0.000 0.229 442 S C 1.805 176.534 174.600 0.215 0.000 1.021 442 S CA 1.325 59.677 58.200 0.254 0.000 0.974 442 S CB -0.261 63.191 63.200 0.420 0.000 0.800 442 S HN 0.390 nan 8.310 nan 0.000 0.484 443 V N 1.007 120.971 119.914 0.083 0.000 2.427 443 V HA -0.190 3.933 4.120 0.005 0.000 0.248 443 V C 2.357 178.414 176.094 -0.061 0.000 1.051 443 V CA 1.305 63.625 62.300 0.034 0.000 1.048 443 V CB -1.072 30.724 31.823 -0.045 0.000 0.666 443 V HN 0.574 nan 8.190 nan 0.000 0.456 444 C N 1.162 120.320 119.300 -0.235 0.000 2.440 444 C HA 0.009 4.472 4.460 0.005 0.000 0.278 444 C C 2.888 177.627 174.990 -0.419 0.000 1.295 444 C CA 0.711 59.412 59.018 -0.528 0.000 1.738 444 C CB -1.656 25.305 27.740 -1.298 0.000 1.987 444 C HN 0.649 nan 8.230 nan 0.000 0.492 445 G N 0.123 108.789 108.800 -0.223 0.000 2.511 445 G HA2 0.143 4.106 3.960 0.005 0.000 0.217 445 G HA3 0.143 4.106 3.960 0.005 0.000 0.217 445 G C 1.795 176.722 174.900 0.044 0.000 1.133 445 G CA 0.857 45.956 45.100 -0.002 0.000 0.792 445 G HN 0.591 nan 8.290 nan 0.000 0.539 446 A N 0.694 123.565 122.820 0.086 0.000 1.898 446 A HA 0.028 4.352 4.320 0.005 0.000 0.216 446 A C 2.581 180.206 177.584 0.068 0.000 1.181 446 A CA 2.122 54.239 52.037 0.134 0.000 0.620 446 A CB -0.719 18.486 19.000 0.342 0.000 0.819 446 A HN 0.370 nan 8.150 nan 0.000 0.442 447 S N -0.631 115.082 115.700 0.022 0.000 2.402 447 S HA -0.041 4.432 4.470 0.005 0.000 0.229 447 S C 1.829 176.421 174.600 -0.014 0.000 1.021 447 S CA 1.260 59.453 58.200 -0.012 0.000 0.974 447 S CB -0.457 62.717 63.200 -0.042 0.000 0.800 447 S HN 0.480 nan 8.310 nan 0.000 0.484 448 L N 0.687 121.907 121.223 -0.005 0.000 2.179 448 L HA 0.121 4.464 4.340 0.005 0.000 0.208 448 L C 2.826 179.708 176.870 0.021 0.000 1.096 448 L CA 0.982 55.831 54.840 0.014 0.000 0.779 448 L CB -0.523 41.560 42.059 0.041 0.000 0.922 448 L HN 0.347 nan 8.230 nan 0.000 0.443 449 A N 0.080 122.915 122.820 0.026 0.000 1.929 449 A HA -0.046 4.277 4.320 0.005 0.000 0.216 449 A C 2.228 179.824 177.584 0.020 0.000 1.176 449 A CA 1.009 53.063 52.037 0.028 0.000 0.628 449 A CB -0.458 18.559 19.000 0.028 0.000 0.816 449 A HN 0.329 nan 8.150 nan 0.000 0.444 450 L N -1.240 119.988 121.223 0.009 0.000 2.109 450 L HA -0.098 4.245 4.340 0.005 0.000 0.207 450 L C 2.737 179.581 176.870 -0.042 0.000 1.086 450 L CA 1.052 55.882 54.840 -0.017 0.000 0.760 450 L CB -0.400 41.638 42.059 -0.035 0.000 0.910 450 L HN 0.388 nan 8.230 nan 0.000 0.437 451 M N -0.630 118.950 119.600 -0.033 0.000 2.254 451 M HA -0.193 4.290 4.480 0.005 0.000 0.265 451 M C 1.697 177.986 176.300 -0.019 0.000 1.066 451 M CA 1.495 56.773 55.300 -0.037 0.000 1.123 451 M CB -0.321 32.263 32.600 -0.027 0.000 1.388 451 M HN 0.154 nan 8.290 nan 0.000 0.425 452 D N 0.301 120.700 120.400 -0.001 0.000 2.183 452 D HA -0.027 4.617 4.640 0.005 0.000 0.203 452 D C 1.822 178.135 176.300 0.022 0.000 0.969 452 D CA 1.294 55.301 54.000 0.011 0.000 0.842 452 D CB 0.234 41.046 40.800 0.020 0.000 0.957 452 D HN 0.253 nan 8.370 nan 0.000 0.484 453 A N -0.622 122.214 122.820 0.026 0.000 1.968 453 A HA 0.345 4.668 4.320 0.005 0.000 0.217 453 A C 1.930 179.530 177.584 0.027 0.000 1.169 453 A CA 1.468 53.537 52.037 0.054 0.000 0.638 453 A CB -0.377 18.657 19.000 0.056 0.000 0.812 453 A HN 0.488 nan 8.150 nan 0.000 0.446 454 G N -2.167 106.620 108.800 -0.022 0.000 2.143 454 G HA2 -0.104 3.859 3.960 0.005 0.000 0.175 454 G HA3 -0.104 3.859 3.960 0.005 0.000 0.175 454 G C -0.015 174.790 174.900 -0.159 0.000 1.004 454 G CA -0.108 44.964 45.100 -0.047 0.000 0.671 454 G HN 0.761 nan 8.290 nan 0.000 0.512 455 V N 2.461 122.233 119.914 -0.236 0.000 2.439 455 V HA 0.360 4.483 4.120 0.005 0.000 0.271 455 V C -1.192 174.658 176.094 -0.407 0.000 1.040 455 V CA -0.817 61.175 62.300 -0.512 0.000 1.002 455 V CB 1.150 32.756 31.823 -0.361 0.000 1.000 455 V HN 0.245 nan 8.190 nan 0.000 0.477 456 P HA 0.213 nan 4.420 nan 0.000 0.237 456 P C 0.028 177.197 177.300 -0.218 0.000 1.788 456 P CA -0.178 62.762 63.100 -0.267 0.000 1.061 456 P CB -0.304 31.272 31.700 -0.206 0.000 1.967 457 I N -1.663 118.795 120.570 -0.188 0.000 2.696 457 I HA 0.159 4.332 4.170 0.005 0.000 0.284 457 I C 1.321 177.378 176.117 -0.100 0.000 1.129 457 I CA -0.454 60.760 61.300 -0.145 0.000 1.410 457 I CB 0.699 38.621 38.000 -0.130 0.000 1.399 457 I HN -0.070 nan 8.210 nan 0.000 0.579 458 K N 3.598 123.947 120.400 -0.085 0.000 2.057 458 K HA 0.099 4.422 4.320 0.005 0.000 0.207 458 K C 0.616 177.185 176.600 -0.052 0.000 1.049 458 K CA 1.547 57.797 56.287 -0.060 0.000 0.931 458 K CB -0.123 32.346 32.500 -0.052 0.000 0.714 458 K HN 0.870 nan 8.250 nan 0.000 0.440 459 A N -0.133 122.654 122.820 -0.055 0.000 2.609 459 A HA 0.675 4.998 4.320 0.005 0.000 0.291 459 A C -1.615 175.939 177.584 -0.049 0.000 1.096 459 A CA -0.702 51.307 52.037 -0.046 0.000 0.684 459 A CB 1.209 20.186 19.000 -0.038 0.000 1.282 459 A HN 0.111 nan 8.150 nan 0.000 0.412 460 A N -0.247 122.548 122.820 -0.042 0.000 2.388 460 A HA 0.594 4.917 4.320 0.005 0.000 0.257 460 A C -0.210 177.347 177.584 -0.045 0.000 1.095 460 A CA -0.138 51.874 52.037 -0.043 0.000 0.791 460 A CB 0.506 19.484 19.000 -0.036 0.000 1.029 460 A HN 2.032 nan 8.150 nan 0.000 0.489 461 V N 1.588 121.470 119.914 -0.053 0.000 2.588 461 V HA 0.818 4.942 4.120 0.005 0.000 0.304 461 V C 0.035 176.081 176.094 -0.079 0.000 1.042 461 V CA 0.429 62.696 62.300 -0.056 0.000 0.877 461 V CB 1.381 33.174 31.823 -0.050 0.000 0.996 461 V HN 1.695 nan 8.190 nan 0.000 0.425 462 A N 4.202 126.978 122.820 -0.074 0.000 2.552 462 A HA 1.088 5.411 4.320 0.005 0.000 0.288 462 A C -0.167 177.381 177.584 -0.060 0.000 1.193 462 A CA -0.228 51.749 52.037 -0.099 0.000 0.713 462 A CB 1.872 20.819 19.000 -0.088 0.000 1.305 462 A HN 2.095 nan 8.150 nan 0.000 0.424 463 G N -1.270 107.501 108.800 -0.047 0.000 2.387 463 G HA2 0.662 4.625 3.960 0.005 0.000 0.294 463 G HA3 0.662 4.625 3.960 0.005 0.000 0.294 463 G C -1.621 173.293 174.900 0.022 0.000 1.509 463 G CA 0.201 45.293 45.100 -0.014 0.000 0.806 463 G HN 1.795 nan 8.290 nan 0.000 0.546 464 I N -1.852 118.738 120.570 0.033 0.000 3.095 464 I HA 0.928 5.101 4.170 0.005 0.000 0.310 464 I C 0.123 176.265 176.117 0.041 0.000 1.196 464 I CA -1.657 59.678 61.300 0.058 0.000 0.985 464 I CB 1.651 39.705 38.000 0.089 0.000 1.250 464 I HN 1.061 nan 8.210 nan 0.000 0.446 465 A N 4.064 126.915 122.820 0.052 0.000 2.303 465 A HA 0.925 5.248 4.320 0.005 0.000 0.317 465 A C -0.399 177.245 177.584 0.099 0.000 1.149 465 A CA -0.579 51.490 52.037 0.054 0.000 0.822 465 A CB 0.777 19.798 19.000 0.035 0.000 1.131 465 A HN 0.658 nan 8.150 nan 0.000 0.493 466 M N 1.481 121.175 119.600 0.157 0.000 2.528 466 M HA 0.550 5.033 4.480 0.005 0.000 0.321 466 M C 0.306 176.690 176.300 0.139 0.000 1.153 466 M CA -0.325 55.078 55.300 0.172 0.000 0.951 466 M CB 1.387 34.146 32.600 0.264 0.000 1.705 466 M HN 0.849 nan 8.290 nan 0.000 0.451 467 G N 1.335 110.185 108.800 0.083 0.000 2.600 467 G HA2 0.831 4.795 3.960 0.005 0.000 0.303 467 G HA3 0.831 4.795 3.960 0.005 0.000 0.303 467 G C -2.171 172.748 174.900 0.031 0.000 1.253 467 G CA -0.480 44.654 45.100 0.057 0.000 0.974 467 G HN 0.587 nan 8.290 nan 0.000 0.483 468 L N 0.112 121.348 121.223 0.022 0.000 2.455 468 L HA 0.683 5.027 4.340 0.005 0.000 0.264 468 L C -1.125 175.758 176.870 0.022 0.000 0.968 468 L CA -0.639 54.211 54.840 0.017 0.000 0.827 468 L CB 2.541 44.590 42.059 -0.017 0.000 1.317 468 L HN 0.347 nan 8.230 nan 0.000 0.407 469 V N 4.591 124.524 119.914 0.032 0.000 2.304 469 V HA 0.545 4.668 4.120 0.005 0.000 0.278 469 V C -0.385 175.731 176.094 0.038 0.000 1.018 469 V CA -0.560 61.754 62.300 0.024 0.000 0.814 469 V CB 1.137 32.967 31.823 0.012 0.000 1.021 469 V HN 0.718 nan 8.190 nan 0.000 0.440 470 K N 3.384 123.802 120.400 0.030 0.000 2.507 470 K HA 0.475 4.798 4.320 0.005 0.000 0.251 470 K C 0.170 176.781 176.600 0.018 0.000 0.943 470 K CA -0.440 55.869 56.287 0.037 0.000 0.794 470 K CB 2.093 34.616 32.500 0.037 0.000 1.188 470 K HN 0.544 nan 8.250 nan 0.000 0.428 471 E N 2.596 122.806 120.200 0.017 0.000 2.467 471 E HA 0.128 4.481 4.350 0.005 0.000 0.213 471 E C 0.341 176.945 176.600 0.007 0.000 0.823 471 E CA 0.554 56.959 56.400 0.008 0.000 1.233 471 E CB 1.014 30.716 29.700 0.004 0.000 1.233 471 E HN 0.841 nan 8.360 nan 0.000 0.585 472 G N 1.066 109.874 108.800 0.014 0.000 3.110 472 G HA2 0.085 4.048 3.960 0.005 0.000 0.207 472 G HA3 0.085 4.048 3.960 0.005 0.000 0.207 472 G C 0.610 175.524 174.900 0.022 0.000 1.841 472 G CA 0.662 45.769 45.100 0.013 0.000 0.751 472 G HN 0.191 nan 8.290 nan 0.000 0.771 473 D N -0.448 119.973 120.400 0.035 0.000 2.469 473 D HA 0.047 4.690 4.640 0.005 0.000 0.240 473 D C 0.483 176.860 176.300 0.128 0.000 1.087 473 D CA -0.168 53.867 54.000 0.058 0.000 0.876 473 D CB -0.712 40.111 40.800 0.039 0.000 1.160 473 D HN 0.336 nan 8.370 nan 0.000 0.497 474 N N 0.922 119.672 118.700 0.083 0.000 2.525 474 N HA 0.264 5.007 4.740 0.005 0.000 0.271 474 N C -0.647 174.925 175.510 0.103 0.000 1.194 474 N CA -0.378 52.703 53.050 0.051 0.000 0.964 474 N CB 0.318 38.780 38.487 -0.043 0.000 1.126 474 N HN 0.329 nan 8.380 nan 0.000 0.452 475 Y N -2.409 117.870 120.300 -0.034 0.000 2.553 475 Y HA 0.752 5.305 4.550 0.006 0.000 0.347 475 Y C -1.549 174.329 175.900 -0.037 0.000 1.019 475 Y CA -1.588 56.489 58.100 -0.039 0.000 1.032 475 Y CB 1.014 39.444 38.460 -0.050 0.000 1.284 475 Y HN 0.254 nan 8.280 nan 0.000 0.466 476 V N 3.262 123.222 119.914 0.077 0.000 2.483 476 V HA 0.467 4.590 4.120 0.005 0.000 0.297 476 V C -0.627 175.515 176.094 0.080 0.000 1.027 476 V CA -0.921 61.390 62.300 0.019 0.000 0.855 476 V CB 1.438 33.252 31.823 -0.014 0.000 0.995 476 V HN 0.751 nan 8.190 nan 0.000 0.424 477 V N 6.452 126.417 119.914 0.085 0.000 2.432 477 V HA 0.449 4.572 4.120 0.005 0.000 0.275 477 V C -0.210 175.904 176.094 0.034 0.000 1.043 477 V CA -0.403 61.935 62.300 0.063 0.000 0.925 477 V CB 1.304 33.165 31.823 0.064 0.000 0.985 477 V HN 0.603 nan 8.190 nan 0.000 0.466 478 L N 4.007 125.250 121.223 0.033 0.000 2.317 478 L HA 0.529 4.872 4.340 0.005 0.000 0.281 478 L C 0.350 177.247 176.870 0.044 0.000 1.024 478 L CA 0.320 55.180 54.840 0.034 0.000 0.810 478 L CB 2.001 44.081 42.059 0.035 0.000 1.240 478 L HN 0.596 nan 8.230 nan 0.000 0.427 479 S N 1.221 116.945 115.700 0.040 0.000 2.442 479 S HA 0.313 4.786 4.470 0.005 0.000 0.297 479 S C -0.610 174.021 174.600 0.051 0.000 1.131 479 S CA -0.445 57.784 58.200 0.048 0.000 1.092 479 S CB 0.733 63.953 63.200 0.033 0.000 0.998 479 S HN 0.724 nan 8.310 nan 0.000 0.478 480 D N 2.005 122.445 120.400 0.067 0.000 3.278 480 D HA -0.172 4.471 4.640 0.005 0.000 0.233 480 D C 0.011 176.352 176.300 0.068 0.000 1.149 480 D CA 0.512 54.555 54.000 0.072 0.000 0.957 480 D CB -1.132 39.714 40.800 0.076 0.000 0.913 480 D HN 0.596 nan 8.370 nan 0.000 0.409 481 I N -1.830 118.782 120.570 0.070 0.000 2.945 481 I HA 0.458 4.631 4.170 0.005 0.000 0.292 481 I C 0.473 176.639 176.117 0.083 0.000 1.093 481 I CA -1.066 60.276 61.300 0.071 0.000 1.336 481 I CB 0.462 38.502 38.000 0.066 0.000 1.435 481 I HN 0.009 nan 8.210 nan 0.000 0.593 482 L N 2.664 123.945 121.223 0.097 0.000 2.657 482 L HA 0.459 4.802 4.340 0.005 0.000 0.240 482 L C 1.728 178.689 176.870 0.151 0.000 1.151 482 L CA 0.413 55.327 54.840 0.124 0.000 0.831 482 L CB 0.474 42.617 42.059 0.140 0.000 1.539 482 L HN 0.827 nan 8.230 nan 0.000 0.511 483 G N -1.332 107.590 108.800 0.204 0.000 2.421 483 G HA2 -0.156 3.807 3.960 0.005 0.000 0.217 483 G HA3 -0.156 3.807 3.960 0.005 0.000 0.217 483 G C 0.884 176.017 174.900 0.388 0.000 1.143 483 G CA 0.363 45.636 45.100 0.288 0.000 0.784 483 G HN 0.643 nan 8.290 nan 0.000 0.541 484 D N 0.525 121.118 120.400 0.322 0.000 2.234 484 D HA 0.001 4.644 4.640 0.005 0.000 0.205 484 D C 2.192 178.598 176.300 0.178 0.000 0.962 484 D CA 0.557 54.724 54.000 0.279 0.000 0.855 484 D CB 0.007 40.974 40.800 0.278 0.000 0.951 484 D HN 0.430 nan 8.370 nan 0.000 0.500 485 E N -0.090 120.197 120.200 0.145 0.000 2.478 485 E HA -0.060 4.294 4.350 0.005 0.000 0.194 485 E C 0.869 177.513 176.600 0.074 0.000 1.045 485 E CA 0.233 56.685 56.400 0.087 0.000 0.868 485 E CB 0.414 30.159 29.700 0.074 0.000 0.885 485 E HN 0.127 nan 8.360 nan 0.000 0.505 486 D N -0.514 119.936 120.400 0.083 0.000 2.338 486 D HA -0.037 4.606 4.640 0.005 0.000 0.224 486 D C 1.513 177.792 176.300 -0.035 0.000 0.967 486 D CA 0.917 54.916 54.000 -0.001 0.000 0.896 486 D CB 0.265 41.026 40.800 -0.065 0.000 1.028 486 D HN 0.121 nan 8.370 nan 0.000 0.493 487 H N -0.547 118.582 119.070 0.099 0.000 2.363 487 H HA 0.170 4.729 4.556 0.005 0.000 0.301 487 H C 1.629 177.021 175.328 0.106 0.000 1.074 487 H CA 1.093 57.212 56.048 0.118 0.000 1.354 487 H CB 0.132 29.990 29.762 0.161 0.000 1.397 487 H HN 0.096 nan 8.280 nan 0.000 0.516 488 L N 0.104 121.438 121.223 0.184 0.000 2.558 488 L HA 0.163 4.506 4.340 0.005 0.000 0.225 488 L C 1.661 178.557 176.870 0.043 0.000 1.128 488 L CA -0.068 54.816 54.840 0.072 0.000 0.868 488 L CB -0.141 41.893 42.059 -0.042 0.000 1.006 488 L HN 0.219 nan 8.230 nan 0.000 0.454 489 G N -0.432 108.399 108.800 0.053 0.000 2.485 489 G HA2 0.038 4.001 3.960 0.005 0.000 0.260 489 G HA3 0.038 4.001 3.960 0.005 0.000 0.260 489 G C 0.145 175.065 174.900 0.033 0.000 1.459 489 G CA -0.012 45.108 45.100 0.033 0.000 1.060 489 G HN 0.062 nan 8.290 nan 0.000 0.546 490 D N -1.371 119.044 120.400 0.024 0.000 2.415 490 D HA 0.138 4.781 4.640 0.005 0.000 0.269 490 D C 0.879 177.189 176.300 0.016 0.000 1.099 490 D CA 0.532 54.543 54.000 0.018 0.000 0.865 490 D CB 0.683 41.488 40.800 0.008 0.000 1.359 490 D HN 0.478 nan 8.370 nan 0.000 0.506 491 M N -0.505 119.107 119.600 0.020 0.000 2.578 491 M HA 0.533 5.017 4.480 0.005 0.000 0.276 491 M C -2.112 174.220 176.300 0.054 0.000 1.245 491 M CA -0.820 54.500 55.300 0.033 0.000 0.871 491 M CB 3.303 35.921 32.600 0.029 0.000 1.722 491 M HN -0.381 nan 8.290 nan 0.000 0.473 492 D N 1.729 122.170 120.400 0.069 0.000 2.453 492 D HA 0.454 5.097 4.640 0.005 0.000 0.238 492 D C -2.158 174.221 176.300 0.132 0.000 1.088 492 D CA -0.056 53.990 54.000 0.075 0.000 0.854 492 D CB 1.002 41.815 40.800 0.023 0.000 1.076 492 D HN 0.563 nan 8.370 nan 0.000 0.533 493 F N 3.997 123.938 119.950 -0.016 0.000 2.307 493 F HA 0.388 4.918 4.527 0.005 0.000 0.369 493 F C -0.178 175.615 175.800 -0.013 0.000 1.076 493 F CA -0.775 57.214 58.000 -0.018 0.000 1.149 493 F CB 0.424 39.413 39.000 -0.019 0.000 1.410 493 F HN 0.024 nan 8.300 nan 0.000 0.481 494 K N 4.616 124.841 120.400 -0.292 0.000 2.227 494 K HA 0.611 4.934 4.320 0.005 0.000 0.280 494 K C -1.093 175.296 176.600 -0.352 0.000 1.041 494 K CA -0.620 55.529 56.287 -0.230 0.000 0.905 494 K CB 1.930 34.341 32.500 -0.149 0.000 1.068 494 K HN 0.292 nan 8.250 nan 0.000 0.470 495 V N 1.716 121.504 119.914 -0.210 0.000 2.638 495 V HA 0.676 4.799 4.120 0.005 0.000 0.306 495 V C -0.836 175.201 176.094 -0.096 0.000 1.052 495 V CA -0.952 61.243 62.300 -0.175 0.000 0.885 495 V CB 1.706 33.470 31.823 -0.098 0.000 0.999 495 V HN 0.893 nan 8.190 nan 0.000 0.424 496 A N 2.853 125.616 122.820 -0.095 0.000 2.455 496 A HA 1.044 5.367 4.320 0.005 0.000 0.300 496 A C -0.138 177.409 177.584 -0.063 0.000 1.040 496 A CA 0.079 52.073 52.037 -0.072 0.000 0.697 496 A CB 2.011 20.961 19.000 -0.084 0.000 1.265 496 A HN 1.596 nan 8.150 nan 0.000 0.407 497 G N -0.083 108.687 108.800 -0.048 0.000 2.430 497 G HA2 0.656 4.620 3.960 0.005 0.000 0.300 497 G HA3 0.656 4.620 3.960 0.005 0.000 0.300 497 G C -0.191 174.688 174.900 -0.035 0.000 1.330 497 G CA 0.312 45.386 45.100 -0.042 0.000 0.813 497 G HN 1.660 nan 8.290 nan 0.000 0.487 498 S N -0.844 114.837 115.700 -0.032 0.000 2.566 498 S HA 0.442 4.915 4.470 0.005 0.000 0.277 498 S C 1.452 176.042 174.600 -0.017 0.000 1.150 498 S CA -0.026 58.157 58.200 -0.028 0.000 1.032 498 S CB 1.437 64.618 63.200 -0.032 0.000 1.157 498 S HN 0.767 nan 8.310 nan 0.000 0.507 499 R N 0.032 120.523 120.500 -0.014 0.000 2.148 499 R HA -0.021 4.322 4.340 0.005 0.000 0.223 499 R C 0.820 177.117 176.300 -0.005 0.000 1.088 499 R CA 1.480 57.576 56.100 -0.006 0.000 0.985 499 R CB -0.291 30.005 30.300 -0.006 0.000 0.880 499 R HN 0.661 nan 8.270 nan 0.000 0.451 500 D N -1.179 119.215 120.400 -0.011 0.000 2.269 500 D HA 0.104 4.747 4.640 0.005 0.000 0.220 500 D C 0.755 177.047 176.300 -0.013 0.000 0.962 500 D CA 1.139 55.132 54.000 -0.010 0.000 0.884 500 D CB 0.424 41.216 40.800 -0.013 0.000 1.023 500 D HN 0.325 nan 8.370 nan 0.000 0.484 501 G N -0.266 108.522 108.800 -0.020 0.000 2.949 501 G HA2 0.617 4.580 3.960 0.005 0.000 0.285 501 G HA3 0.617 4.580 3.960 0.005 0.000 0.285 501 G C -1.193 173.689 174.900 -0.031 0.000 1.395 501 G CA -0.674 44.410 45.100 -0.027 0.000 0.901 501 G HN -0.024 nan 8.290 nan 0.000 0.519 502 I N 1.135 121.680 120.570 -0.040 0.000 2.359 502 I HA 0.239 4.412 4.170 0.005 0.000 0.294 502 I C 1.277 177.360 176.117 -0.056 0.000 0.987 502 I CA -0.503 60.769 61.300 -0.046 0.000 1.225 502 I CB 2.194 40.166 38.000 -0.047 0.000 1.366 502 I HN 0.591 nan 8.210 nan 0.000 0.466 503 S N 3.989 119.654 115.700 -0.058 0.000 2.468 503 S HA 0.417 4.890 4.470 0.005 0.000 0.226 503 S C 0.639 175.199 174.600 -0.067 0.000 1.051 503 S CA 0.032 58.197 58.200 -0.059 0.000 0.943 503 S CB 0.428 63.594 63.200 -0.056 0.000 0.810 503 S HN 0.682 nan 8.310 nan 0.000 0.509 504 A N 0.765 123.536 122.820 -0.081 0.000 2.449 504 A HA 0.805 5.128 4.320 0.005 0.000 0.302 504 A C -1.598 175.910 177.584 -0.127 0.000 1.048 504 A CA -0.638 51.340 52.037 -0.097 0.000 0.708 504 A CB 1.735 20.672 19.000 -0.103 0.000 1.274 504 A HN 0.610 nan 8.150 nan 0.000 0.410 505 L N 1.126 122.263 121.223 -0.145 0.000 2.541 505 L HA 0.560 4.903 4.340 0.005 0.000 0.266 505 L C -0.711 176.028 176.870 -0.218 0.000 0.966 505 L CA 0.124 54.833 54.840 -0.218 0.000 0.871 505 L CB 1.882 43.824 42.059 -0.196 0.000 1.232 505 L HN 0.849 nan 8.230 nan 0.000 0.408 506 Q N 4.684 124.320 119.800 -0.273 0.000 2.342 506 Q HA 0.679 5.022 4.340 0.005 0.000 0.267 506 Q C -1.567 174.281 176.000 -0.252 0.000 1.038 506 Q CA -0.685 54.994 55.803 -0.207 0.000 0.832 506 Q CB 2.086 30.735 28.738 -0.149 0.000 1.323 506 Q HN 0.803 nan 8.270 nan 0.000 0.448 507 M N 3.625 123.150 119.600 -0.124 0.000 2.151 507 M HA 0.363 4.847 4.480 0.005 0.000 0.290 507 M C -1.896 174.413 176.300 0.015 0.000 0.965 507 M CA -0.431 54.858 55.300 -0.017 0.000 0.930 507 M CB 1.470 34.109 32.600 0.065 0.000 1.560 507 M HN 0.575 nan 8.290 nan 0.000 0.438 508 D N 6.917 127.340 120.400 0.039 0.000 2.408 508 D HA 0.408 5.051 4.640 0.005 0.000 0.261 508 D C -0.841 175.482 176.300 0.039 0.000 1.190 508 D CA -0.045 53.970 54.000 0.026 0.000 0.910 508 D CB 1.144 41.948 40.800 0.007 0.000 1.097 508 D HN 0.542 nan 8.370 nan 0.000 0.522 509 I N 0.860 121.449 120.570 0.032 0.000 2.353 509 I HA 0.278 4.451 4.170 0.005 0.000 0.293 509 I C 1.530 177.653 176.117 0.010 0.000 0.992 509 I CA -0.463 60.849 61.300 0.019 0.000 1.268 509 I CB 1.443 39.445 38.000 0.003 0.000 1.387 509 I HN 0.159 nan 8.210 nan 0.000 0.478 510 K N 6.381 126.787 120.400 0.011 0.000 2.361 510 K HA 0.348 4.671 4.320 0.005 0.000 0.194 510 K C 0.365 176.964 176.600 -0.001 0.000 1.032 510 K CA 0.476 56.772 56.287 0.015 0.000 1.048 510 K CB -0.286 32.233 32.500 0.032 0.000 0.842 510 K HN 0.750 nan 8.250 nan 0.000 0.526 511 I N -2.743 117.819 120.570 -0.013 0.000 2.797 511 I HA 0.546 4.719 4.170 0.005 0.000 0.307 511 I C -0.560 175.530 176.117 -0.044 0.000 1.033 511 I CA -1.136 60.148 61.300 -0.026 0.000 1.071 511 I CB 2.296 40.285 38.000 -0.018 0.000 1.255 511 I HN 0.015 nan 8.210 nan 0.000 0.445 512 E N 1.964 122.131 120.200 -0.055 0.000 2.283 512 E HA 0.553 4.906 4.350 0.005 0.000 0.271 512 E C 0.191 176.755 176.600 -0.059 0.000 1.031 512 E CA -0.286 56.075 56.400 -0.065 0.000 0.868 512 E CB 1.381 31.033 29.700 -0.079 0.000 1.094 512 E HN 1.102 nan 8.360 nan 0.000 0.401 513 G N 2.249 111.011 108.800 -0.064 0.000 2.288 513 G HA2 -0.231 3.732 3.960 0.005 0.000 0.205 513 G HA3 -0.231 3.732 3.960 0.005 0.000 0.205 513 G C -0.278 174.571 174.900 -0.084 0.000 1.071 513 G CA -0.295 44.766 45.100 -0.064 0.000 0.788 513 G HN 0.494 nan 8.290 nan 0.000 0.491 514 I N 2.441 122.950 120.570 -0.102 0.000 2.371 514 I HA 0.587 4.760 4.170 0.005 0.000 0.290 514 I C 1.096 177.119 176.117 -0.158 0.000 1.028 514 I CA 0.173 61.391 61.300 -0.136 0.000 1.345 514 I CB 0.830 38.750 38.000 -0.132 0.000 1.407 514 I HN 0.360 nan 8.210 nan 0.000 0.501 515 T N 2.847 117.293 114.554 -0.181 0.000 2.862 515 T HA 0.265 4.619 4.350 0.005 0.000 0.276 515 T C 0.893 175.481 174.700 -0.187 0.000 0.974 515 T CA -0.661 61.337 62.100 -0.171 0.000 0.966 515 T CB 1.516 70.284 68.868 -0.166 0.000 1.072 515 T HN 0.693 nan 8.240 nan 0.000 0.538 516 K N 0.186 120.497 120.400 -0.149 0.000 2.116 516 K HA -0.031 4.292 4.320 0.005 0.000 0.203 516 K C 2.706 179.224 176.600 -0.138 0.000 1.052 516 K CA 1.287 57.497 56.287 -0.129 0.000 0.952 516 K CB -0.650 31.799 32.500 -0.086 0.000 0.729 516 K HN 0.802 nan 8.250 nan 0.000 0.446 517 E N 1.382 121.495 120.200 -0.145 0.000 2.150 517 E HA -0.123 4.230 4.350 0.005 0.000 0.193 517 E C 1.707 178.173 176.600 -0.223 0.000 0.985 517 E CA 1.387 57.706 56.400 -0.136 0.000 0.814 517 E CB -0.901 28.748 29.700 -0.084 0.000 0.752 517 E HN 0.669 nan 8.360 nan 0.000 0.466 518 I N -3.573 116.772 120.570 -0.375 0.000 2.928 518 I HA 0.070 4.244 4.170 0.005 0.000 0.266 518 I C 2.557 178.438 176.117 -0.394 0.000 1.234 518 I CA 0.862 61.854 61.300 -0.513 0.000 1.483 518 I CB -0.031 37.525 38.000 -0.740 0.000 1.097 518 I HN 0.127 nan 8.210 nan 0.000 0.455 519 M N 1.245 120.648 119.600 -0.328 0.000 2.236 519 M HA -0.091 4.392 4.480 0.005 0.000 0.266 519 M C 2.445 178.578 176.300 -0.278 0.000 1.070 519 M CA 1.563 56.647 55.300 -0.359 0.000 1.137 519 M CB -0.205 32.274 32.600 -0.202 0.000 1.378 519 M HN 0.450 nan 8.290 nan 0.000 0.426 520 Q N -0.432 119.274 119.800 -0.157 0.000 2.212 520 Q HA -0.029 4.315 4.340 0.005 0.000 0.199 520 Q C 1.705 177.666 176.000 -0.065 0.000 0.950 520 Q CA 1.104 56.864 55.803 -0.070 0.000 0.863 520 Q CB -0.388 28.328 28.738 -0.036 0.000 0.944 520 Q HN 0.269 nan 8.270 nan 0.000 0.465 521 V N 1.720 121.578 119.914 -0.094 0.000 2.358 521 V HA -0.180 3.943 4.120 0.005 0.000 0.246 521 V C 2.483 178.536 176.094 -0.068 0.000 1.047 521 V CA 1.752 64.025 62.300 -0.045 0.000 1.035 521 V CB -0.729 31.102 31.823 0.014 0.000 0.658 521 V HN 0.549 nan 8.190 nan 0.000 0.452 522 A N -0.697 122.004 122.820 -0.198 0.000 2.067 522 A HA -0.114 4.209 4.320 0.005 0.000 0.219 522 A C 2.073 179.624 177.584 -0.055 0.000 1.158 522 A CA 1.600 53.485 52.037 -0.255 0.000 0.661 522 A CB -0.331 18.269 19.000 -0.666 0.000 0.801 522 A HN 0.454 nan 8.150 nan 0.000 0.452 523 L N -0.503 120.728 121.223 0.013 0.000 2.202 523 L HA 0.108 4.451 4.340 0.005 0.000 0.205 523 L C 1.841 178.787 176.870 0.126 0.000 1.083 523 L CA 1.814 56.803 54.840 0.249 0.000 0.790 523 L CB -0.462 41.749 42.059 0.254 0.000 0.942 523 L HN 0.379 nan 8.230 nan 0.000 0.452 524 N N -0.620 118.117 118.700 0.062 0.000 2.216 524 N HA -0.215 4.528 4.740 0.005 0.000 0.183 524 N C 1.857 177.395 175.510 0.047 0.000 1.017 524 N CA 1.333 54.411 53.050 0.047 0.000 0.861 524 N CB -0.027 38.477 38.487 0.029 0.000 0.986 524 N HN 0.514 nan 8.380 nan 0.000 0.428 525 Q N -0.757 119.070 119.800 0.046 0.000 2.230 525 Q HA 0.076 4.419 4.340 0.005 0.000 0.202 525 Q C 1.622 177.659 176.000 0.062 0.000 0.963 525 Q CA 1.068 56.898 55.803 0.044 0.000 0.866 525 Q CB -0.076 28.682 28.738 0.034 0.000 0.931 525 Q HN 0.438 nan 8.270 nan 0.000 0.452 526 A N 0.880 123.755 122.820 0.092 0.000 2.014 526 A HA -0.145 4.178 4.320 0.005 0.000 0.218 526 A C 1.953 179.584 177.584 0.078 0.000 1.163 526 A CA 1.219 53.319 52.037 0.104 0.000 0.652 526 A CB -0.338 18.758 19.000 0.159 0.000 0.808 526 A HN 0.292 nan 8.150 nan 0.000 0.449 527 K N -0.417 120.024 120.400 0.068 0.000 2.057 527 K HA -0.098 4.225 4.320 0.005 0.000 0.206 527 K C 2.019 178.652 176.600 0.054 0.000 1.050 527 K CA 1.259 57.578 56.287 0.053 0.000 0.935 527 K CB -0.448 32.078 32.500 0.044 0.000 0.715 527 K HN 0.394 nan 8.250 nan 0.000 0.439 528 G N 0.311 109.143 108.800 0.054 0.000 2.422 528 G HA2 -0.229 3.734 3.960 0.005 0.000 0.218 528 G HA3 -0.229 3.734 3.960 0.005 0.000 0.218 528 G C 1.499 176.445 174.900 0.076 0.000 1.146 528 G CA 0.859 45.992 45.100 0.055 0.000 0.769 528 G HN 0.418 nan 8.290 nan 0.000 0.547 529 A N 0.177 123.041 122.820 0.073 0.000 2.016 529 A HA 0.169 4.492 4.320 0.005 0.000 0.217 529 A C 2.272 179.937 177.584 0.136 0.000 1.162 529 A CA 1.428 53.523 52.037 0.097 0.000 0.662 529 A CB -0.306 18.738 19.000 0.072 0.000 0.812 529 A HN 0.336 nan 8.150 nan 0.000 0.450 530 R N -0.421 120.136 120.500 0.096 0.000 2.090 530 R HA 0.040 4.383 4.340 0.005 0.000 0.228 530 R C 1.697 178.042 176.300 0.074 0.000 1.110 530 R CA 1.089 57.234 56.100 0.075 0.000 0.973 530 R CB -0.296 30.030 30.300 0.043 0.000 0.869 530 R HN 0.509 nan 8.270 nan 0.000 0.440 531 L N -0.841 120.430 121.223 0.081 0.000 2.217 531 L HA -0.132 4.211 4.340 0.005 0.000 0.211 531 L C 2.291 179.218 176.870 0.094 0.000 1.107 531 L CA 1.136 56.018 54.840 0.070 0.000 0.783 531 L CB -0.394 41.702 42.059 0.063 0.000 0.919 531 L HN 0.318 nan 8.230 nan 0.000 0.442 532 H N 0.332 119.427 119.070 0.041 0.000 2.363 532 H HA -0.092 4.467 4.556 0.005 0.000 0.301 532 H C 2.143 177.511 175.328 0.066 0.000 1.074 532 H CA 1.695 57.772 56.048 0.049 0.000 1.354 532 H CB 0.111 29.903 29.762 0.050 0.000 1.397 532 H HN 0.190 nan 8.280 nan 0.000 0.516 533 I N -0.129 120.492 120.570 0.085 0.000 2.252 533 I HA -0.212 3.962 4.170 0.005 0.000 0.245 533 I C 2.122 178.252 176.117 0.022 0.000 1.102 533 I CA 0.862 62.209 61.300 0.077 0.000 1.385 533 I CB -0.208 37.889 38.000 0.163 0.000 1.064 533 I HN 0.233 nan 8.210 nan 0.000 0.414 534 L N 0.599 121.828 121.223 0.010 0.000 2.131 534 L HA -0.120 4.223 4.340 0.005 0.000 0.210 534 L C 2.631 179.490 176.870 -0.017 0.000 1.092 534 L CA 1.399 56.235 54.840 -0.006 0.000 0.759 534 L CB -0.984 41.072 42.059 -0.004 0.000 0.903 534 L HN 0.335 nan 8.230 nan 0.000 0.435 535 G N -0.625 108.153 108.800 -0.038 0.000 2.408 535 G HA2 -0.157 3.806 3.960 0.005 0.000 0.217 535 G HA3 -0.157 3.806 3.960 0.005 0.000 0.217 535 G C 1.533 176.396 174.900 -0.061 0.000 1.150 535 G CA 0.838 45.908 45.100 -0.050 0.000 0.776 535 G HN 0.217 nan 8.290 nan 0.000 0.542 536 V N 0.739 120.600 119.914 -0.090 0.000 2.591 536 V HA -0.051 4.072 4.120 0.005 0.000 0.249 536 V C 2.782 178.881 176.094 0.008 0.000 1.053 536 V CA 1.512 63.779 62.300 -0.055 0.000 1.068 536 V CB -0.309 31.468 31.823 -0.078 0.000 0.689 536 V HN 0.331 nan 8.190 nan 0.000 0.462 537 M N -0.385 119.232 119.600 0.028 0.000 2.229 537 M HA -0.156 4.327 4.480 0.005 0.000 0.264 537 M C 2.095 178.404 176.300 0.016 0.000 1.063 537 M CA 1.671 56.996 55.300 0.042 0.000 1.114 537 M CB -0.332 32.282 32.600 0.024 0.000 1.387 537 M HN 0.361 nan 8.290 nan 0.000 0.420 538 E N -0.166 120.034 120.200 0.001 0.000 2.274 538 E HA -0.163 4.191 4.350 0.005 0.000 0.194 538 E C 1.926 178.525 176.600 -0.001 0.000 0.996 538 E CA 0.636 57.034 56.400 -0.003 0.000 0.840 538 E CB -0.008 29.688 29.700 -0.008 0.000 0.772 538 E HN 0.601 nan 8.360 nan 0.000 0.491 539 Q N 0.213 120.012 119.800 -0.000 0.000 2.119 539 Q HA -0.109 4.234 4.340 0.005 0.000 0.201 539 Q C 2.074 178.077 176.000 0.006 0.000 0.972 539 Q CA 1.296 57.099 55.803 0.000 0.000 0.847 539 Q CB -0.009 28.727 28.738 -0.004 0.000 0.903 539 Q HN 0.213 nan 8.270 nan 0.000 0.433 540 A N 1.130 123.957 122.820 0.013 0.000 1.844 540 A HA 0.132 4.455 4.320 0.005 0.000 0.212 540 A C 1.136 178.727 177.584 0.012 0.000 1.221 540 A CA 0.657 52.704 52.037 0.016 0.000 0.607 540 A CB 0.051 19.069 19.000 0.029 0.000 0.878 540 A HN 0.387 nan 8.150 nan 0.000 0.451 541 I N -3.457 117.119 120.570 0.011 0.000 2.619 541 I HA 0.475 4.649 4.170 0.005 0.000 0.292 541 I C -0.321 175.794 176.117 -0.002 0.000 1.100 541 I CA -0.894 60.408 61.300 0.004 0.000 1.043 541 I CB 2.226 40.229 38.000 0.005 0.000 1.239 541 I HN 0.274 nan 8.210 nan 0.000 0.420 542 N N 3.699 122.395 118.700 -0.007 0.000 2.360 542 N HA 0.316 5.059 4.740 0.005 0.000 0.211 542 N C 0.008 175.508 175.510 -0.018 0.000 1.147 542 N CA 0.139 53.181 53.050 -0.012 0.000 0.866 542 N CB 1.322 39.804 38.487 -0.009 0.000 1.206 542 N HN 0.748 nan 8.380 nan 0.000 0.478 543 A N 1.326 124.136 122.820 -0.017 0.000 2.422 543 A HA 0.739 5.062 4.320 0.005 0.000 0.302 543 A C -2.580 174.990 177.584 -0.022 0.000 1.041 543 A CA -0.930 51.094 52.037 -0.022 0.000 0.708 543 A CB 1.064 20.054 19.000 -0.017 0.000 1.257 543 A HN 0.064 nan 8.150 nan 0.000 0.414 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.081 63.100 -0.033 0.000 0.800 544 P CB 0.000 31.665 31.700 -0.059 0.000 0.726