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 1xd1_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.966 175.900 0.109 0.000 1.272 2 Y CA 0.000 58.191 58.100 0.151 0.000 1.940 2 Y CB 0.000 38.489 38.460 0.048 0.000 1.050 3 S N 3.352 119.113 115.700 0.102 0.000 2.513 3 S HA 0.193 4.663 4.470 -0.000 0.000 0.276 3 S C -1.808 172.470 174.600 -0.536 0.000 1.254 3 S CA -0.857 57.235 58.200 -0.181 0.000 1.053 3 S CB 1.317 64.464 63.200 -0.088 0.000 0.958 3 S HN -0.016 nan 8.310 nan 0.000 0.491 4 P HA -0.021 nan 4.420 nan 0.000 0.222 4 P C 0.088 177.099 177.300 -0.483 0.000 1.147 4 P CA 0.571 62.695 63.100 -1.626 0.000 0.790 4 P CB 0.004 30.675 31.700 -1.716 0.000 0.780 5 N N -2.559 115.998 118.700 -0.238 0.000 2.829 5 N HA -0.103 4.637 4.740 -0.000 0.000 0.250 5 N C -0.006 175.575 175.510 0.118 0.000 1.090 5 N CA 1.451 54.514 53.050 0.023 0.000 0.781 5 N CB -2.238 36.287 38.487 0.062 0.000 1.124 5 N HN 0.323 nan 8.380 nan 0.000 0.559 6 T N -2.591 111.978 114.554 0.025 0.000 2.788 6 T HA 0.308 4.658 4.350 -0.000 0.000 0.280 6 T C 0.538 175.264 174.700 0.043 0.000 0.984 6 T CA -0.442 61.704 62.100 0.076 0.000 0.972 6 T CB 1.647 70.573 68.868 0.097 0.000 1.039 6 T HN 0.118 nan 8.240 nan 0.000 0.530 7 Q N 0.596 120.413 119.800 0.027 0.000 2.352 7 Q HA 0.104 4.444 4.340 -0.000 0.000 0.260 7 Q C 0.230 176.233 176.000 0.005 0.000 0.976 7 Q CA -0.264 55.541 55.803 0.003 0.000 0.881 7 Q CB 0.631 29.362 28.738 -0.012 0.000 1.235 7 Q HN 0.618 nan 8.270 nan 0.000 0.419 8 Q N 0.800 120.600 119.800 -0.001 0.000 2.269 8 Q HA 0.026 4.366 4.340 -0.000 0.000 0.300 8 Q C 0.412 176.407 176.000 -0.009 0.000 1.070 8 Q CA 1.263 57.063 55.803 -0.004 0.000 0.957 8 Q CB 0.104 28.839 28.738 -0.006 0.000 1.131 8 Q HN 0.980 nan 8.270 nan 0.000 0.377 9 G N 3.914 112.707 108.800 -0.012 0.000 2.201 9 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.212 9 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.212 9 G C -0.195 174.685 174.900 -0.032 0.000 0.994 9 G CA -0.220 44.865 45.100 -0.025 0.000 0.644 9 G HN 0.586 nan 8.290 nan 0.000 0.508 10 R N 0.664 121.157 120.500 -0.012 0.000 2.393 10 R HA 0.563 4.903 4.340 -0.000 0.000 0.315 10 R C 0.834 177.143 176.300 0.015 0.000 0.952 10 R CA 0.167 56.257 56.100 -0.017 0.000 0.842 10 R CB 1.243 31.551 30.300 0.013 0.000 1.163 10 R HN 0.275 nan 8.270 nan 0.000 0.450 11 T N -2.579 111.943 114.554 -0.054 0.000 3.129 11 T HA 0.252 4.602 4.350 -0.000 0.000 0.267 11 T C 0.348 174.817 174.700 -0.385 0.000 1.018 11 T CA -0.240 61.812 62.100 -0.079 0.000 0.903 11 T CB 0.386 69.193 68.868 -0.103 0.000 1.067 11 T HN 0.260 nan 8.240 nan 0.000 0.549 12 S N 1.231 116.745 115.700 -0.309 0.000 2.588 12 S HA 0.770 5.240 4.470 -0.000 0.000 0.275 12 S C -0.850 173.684 174.600 -0.110 0.000 1.130 12 S CA -1.078 56.862 58.200 -0.434 0.000 0.855 12 S CB 1.752 64.750 63.200 -0.337 0.000 1.116 12 S HN 0.588 nan 8.310 nan 0.000 0.472 13 I N -0.758 119.762 120.570 -0.083 0.000 2.740 13 I HA 0.919 5.089 4.170 -0.000 0.000 0.303 13 I C -0.922 175.262 176.117 0.112 0.000 1.044 13 I CA -1.037 60.337 61.300 0.123 0.000 1.064 13 I CB 1.768 39.850 38.000 0.138 0.000 1.249 13 I HN 0.433 nan 8.210 nan 0.000 0.433 14 V N 3.732 123.729 119.914 0.139 0.000 2.628 14 V HA 0.437 4.557 4.120 -0.000 0.000 0.306 14 V C -1.119 175.000 176.094 0.042 0.000 1.045 14 V CA -0.340 61.994 62.300 0.057 0.000 0.905 14 V CB 1.644 33.410 31.823 -0.095 0.000 0.997 14 V HN 0.893 nan 8.190 nan 0.000 0.436 15 H N 6.659 125.685 119.070 -0.073 0.000 2.690 15 H HA 0.427 4.983 4.556 -0.000 0.000 0.289 15 H C -0.482 174.768 175.328 -0.130 0.000 1.089 15 H CA -0.613 55.412 56.048 -0.038 0.000 1.299 15 H CB 0.556 30.323 29.762 0.008 0.000 1.405 15 H HN 0.623 nan 8.280 nan 0.000 0.463 16 L N 6.923 127.997 121.223 -0.249 0.000 2.399 16 L HA 0.098 4.438 4.340 -0.000 0.000 0.257 16 L C 0.067 176.768 176.870 -0.282 0.000 1.236 16 L CA -0.643 53.758 54.840 -0.730 0.000 1.144 16 L CB -0.703 40.619 42.059 -1.227 0.000 1.379 16 L HN 0.483 nan 8.230 nan 0.000 0.414 17 F N 4.550 124.204 119.950 -0.494 0.000 2.539 17 F HA -0.071 4.456 4.527 -0.000 0.000 0.393 17 F C 1.375 177.376 175.800 0.335 0.000 1.032 17 F CA 0.338 58.162 58.000 -0.293 0.000 1.120 17 F CB -0.238 38.548 39.000 -0.356 0.000 1.014 17 F HN 0.539 nan 8.300 nan 0.000 0.546 18 E N 2.247 122.471 120.200 0.040 0.000 3.496 18 E HA -0.304 4.046 4.350 -0.000 0.000 0.300 18 E C -0.342 176.376 176.600 0.198 0.000 0.877 18 E CA 0.900 57.293 56.400 -0.011 0.000 1.050 18 E CB -1.686 27.862 29.700 -0.253 0.000 1.532 18 E HN 0.621 nan 8.360 nan 0.000 0.447 19 W N 1.485 122.735 121.300 -0.084 0.000 2.112 19 W HA 0.189 4.849 4.660 -0.000 0.000 0.349 19 W C 1.564 177.913 176.519 -0.284 0.000 1.289 19 W CA 0.087 57.281 57.345 -0.250 0.000 1.256 19 W CB 0.234 29.547 29.460 -0.245 0.000 1.148 19 W HN -0.096 nan 8.180 nan 0.000 0.590 20 R N 1.115 121.538 120.500 -0.129 0.000 2.500 20 R HA 0.143 4.483 4.340 -0.000 0.000 0.275 20 R C 1.041 177.348 176.300 0.013 0.000 1.051 20 R CA -0.496 55.452 56.100 -0.253 0.000 1.088 20 R CB 0.634 30.810 30.300 -0.207 0.000 1.063 20 R HN 0.672 nan 8.270 nan 0.000 0.511 21 W N 0.541 121.891 121.300 0.083 0.000 2.335 21 W HA -0.230 4.430 4.660 -0.000 0.000 0.311 21 W C 1.960 178.494 176.519 0.024 0.000 1.213 21 W CA 0.232 57.617 57.345 0.066 0.000 1.274 21 W CB -0.340 29.176 29.460 0.092 0.000 1.148 21 W HN 0.415 nan 8.180 nan 0.000 0.498 22 V N 1.088 121.143 119.914 0.235 0.000 2.490 22 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 22 V C 1.682 177.824 176.094 0.080 0.000 1.061 22 V CA 2.302 64.676 62.300 0.123 0.000 1.064 22 V CB -0.523 31.343 31.823 0.070 0.000 0.670 22 V HN 0.109 nan 8.190 nan 0.000 0.461 23 D N -0.177 120.259 120.400 0.060 0.000 2.149 23 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 23 D C 2.071 178.494 176.300 0.206 0.000 0.972 23 D CA 1.648 55.666 54.000 0.030 0.000 0.835 23 D CB 0.003 40.689 40.800 -0.191 0.000 0.966 23 D HN 0.501 nan 8.370 nan 0.000 0.476 24 I N 1.476 122.213 120.570 0.277 0.000 2.252 24 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 24 I C 2.605 178.779 176.117 0.094 0.000 1.102 24 I CA 0.762 62.188 61.300 0.211 0.000 1.385 24 I CB -0.226 37.892 38.000 0.196 0.000 1.064 24 I HN -0.104 nan 8.210 nan 0.000 0.414 25 A N 1.192 124.061 122.820 0.082 0.000 1.883 25 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 25 A C 2.315 179.918 177.584 0.033 0.000 1.186 25 A CA 1.545 53.596 52.037 0.023 0.000 0.624 25 A CB -0.867 18.147 19.000 0.024 0.000 0.822 25 A HN 0.372 nan 8.150 nan 0.000 0.444 26 L N -1.219 120.038 121.223 0.056 0.000 2.027 26 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 26 L C 2.677 179.592 176.870 0.076 0.000 1.074 26 L CA 1.764 56.637 54.840 0.054 0.000 0.745 26 L CB -0.499 41.586 42.059 0.043 0.000 0.898 26 L HN 0.457 nan 8.230 nan 0.000 0.433 27 E N -0.299 119.970 120.200 0.114 0.000 2.118 27 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 27 E C 2.250 178.903 176.600 0.089 0.000 0.992 27 E CA 1.544 58.028 56.400 0.140 0.000 0.804 27 E CB -0.269 29.543 29.700 0.187 0.000 0.741 27 E HN 0.430 nan 8.360 nan 0.000 0.458 28 c N 0.591 119.211 118.600 0.033 0.000 2.413 28 c HA -0.129 4.441 4.570 -0.000 0.000 0.276 28 c C 2.323 176.426 174.090 0.023 0.000 1.236 28 c CA 1.316 57.646 56.329 0.002 0.000 1.735 28 c CB -0.907 41.579 42.510 -0.041 0.000 2.031 28 c HN 0.552 nan 8.230 nan 0.000 0.474 29 E N 0.465 120.684 120.200 0.030 0.000 2.051 29 E HA -0.156 4.194 4.350 -0.000 0.000 0.189 29 E C 2.290 178.924 176.600 0.056 0.000 0.979 29 E CA 0.911 57.330 56.400 0.032 0.000 0.803 29 E CB -0.305 29.410 29.700 0.026 0.000 0.761 29 E HN 0.708 nan 8.360 nan 0.000 0.451 30 R N -0.850 119.701 120.500 0.086 0.000 2.276 30 R HA -0.006 4.334 4.340 -0.000 0.000 0.196 30 R C 1.102 177.518 176.300 0.194 0.000 0.961 30 R CA 0.962 57.132 56.100 0.116 0.000 1.024 30 R CB 0.092 30.459 30.300 0.112 0.000 0.940 30 R HN 0.244 nan 8.270 nan 0.000 0.480 31 Y N -0.082 120.237 120.300 0.031 0.000 3.147 31 Y HA 0.250 4.800 4.550 -0.000 0.000 0.219 31 Y C 1.724 177.649 175.900 0.040 0.000 1.021 31 Y CA -0.268 57.853 58.100 0.036 0.000 1.440 31 Y CB 0.153 38.628 38.460 0.025 0.000 1.472 31 Y HN -0.157 nan 8.280 nan 0.000 0.408 32 L N 0.584 121.865 121.223 0.096 0.000 2.013 32 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 32 L C 2.597 179.527 176.870 0.100 0.000 1.073 32 L CA 1.780 56.631 54.840 0.018 0.000 0.753 32 L CB -0.935 41.106 42.059 -0.029 0.000 0.890 32 L HN 0.404 nan 8.230 nan 0.000 0.432 33 A N 0.212 123.060 122.820 0.046 0.000 1.855 33 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 33 A C 0.140 177.733 177.584 0.015 0.000 1.191 33 A CA 1.437 53.494 52.037 0.033 0.000 0.613 33 A CB -1.822 17.184 19.000 0.011 0.000 0.829 33 A HN 0.276 nan 8.150 nan 0.000 0.442 34 P HA -0.128 nan 4.420 nan 0.000 0.216 34 P C 0.752 178.018 177.300 -0.056 0.000 1.150 34 P CA 1.379 64.459 63.100 -0.033 0.000 0.837 34 P CB 0.008 31.685 31.700 -0.038 0.000 0.786 35 K N -1.668 118.676 120.400 -0.095 0.000 2.417 35 K HA 0.327 4.647 4.320 -0.000 0.000 0.196 35 K C 1.111 177.719 176.600 0.014 0.000 1.023 35 K CA 0.566 56.813 56.287 -0.067 0.000 1.122 35 K CB -0.798 31.570 32.500 -0.220 0.000 0.850 35 K HN 0.107 nan 8.250 nan 0.000 0.521 36 G N 0.480 109.299 108.800 0.032 0.000 2.147 36 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.244 36 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.244 36 G C -0.251 174.609 174.900 -0.066 0.000 1.005 36 G CA -0.377 44.705 45.100 -0.030 0.000 0.713 36 G HN 0.191 nan 8.290 nan 0.000 0.515 37 F N 0.474 120.403 119.950 -0.034 0.000 2.443 37 F HA 0.511 5.038 4.527 -0.000 0.000 0.353 37 F C 1.784 177.588 175.800 0.007 0.000 1.101 37 F CA 0.771 58.766 58.000 -0.007 0.000 1.226 37 F CB 1.377 40.385 39.000 0.012 0.000 1.140 37 F HN -0.007 nan 8.300 nan 0.000 0.557 38 G N 1.305 110.198 108.800 0.156 0.000 2.453 38 G HA2 0.406 4.366 3.960 -0.000 0.000 0.215 38 G HA3 0.406 4.366 3.960 -0.000 0.000 0.215 38 G C 0.480 175.510 174.900 0.216 0.000 1.147 38 G CA 0.647 45.842 45.100 0.159 0.000 0.802 38 G HN 1.019 nan 8.290 nan 0.000 0.535 39 G N -1.983 106.980 108.800 0.272 0.000 2.488 39 G HA2 0.464 4.423 3.960 -0.000 0.000 0.301 39 G HA3 0.464 4.423 3.960 -0.000 0.000 0.301 39 G C -2.191 172.861 174.900 0.254 0.000 1.339 39 G CA -0.264 45.014 45.100 0.295 0.000 0.803 39 G HN 0.484 nan 8.290 nan 0.000 0.482 40 V N 0.273 120.319 119.914 0.220 0.000 2.638 40 V HA 0.584 4.704 4.120 -0.000 0.000 0.306 40 V C -0.230 176.027 176.094 0.272 0.000 1.052 40 V CA -0.689 61.697 62.300 0.143 0.000 0.885 40 V CB 1.667 33.478 31.823 -0.020 0.000 0.999 40 V HN 0.874 nan 8.190 nan 0.000 0.424 41 Q N 3.324 123.291 119.800 0.278 0.000 2.303 41 Q HA 0.651 4.991 4.340 -0.000 0.000 0.257 41 Q C -0.744 175.453 176.000 0.328 0.000 0.941 41 Q CA -0.479 55.512 55.803 0.313 0.000 0.931 41 Q CB 1.855 30.715 28.738 0.202 0.000 1.215 41 Q HN 0.815 nan 8.270 nan 0.000 0.437 42 V N 1.169 121.268 119.914 0.309 0.000 2.713 42 V HA 0.600 4.720 4.120 -0.000 0.000 0.307 42 V C 0.071 176.435 176.094 0.449 0.000 1.052 42 V CA -0.831 61.720 62.300 0.417 0.000 0.967 42 V CB 1.652 33.738 31.823 0.439 0.000 1.019 42 V HN 0.788 nan 8.190 nan 0.000 0.459 43 S N 3.147 119.156 115.700 0.514 0.000 2.589 43 S HA 0.317 4.787 4.470 -0.000 0.000 0.265 43 S C -2.373 172.430 174.600 0.339 0.000 1.342 43 S CA -0.345 58.098 58.200 0.404 0.000 1.005 43 S CB -0.003 63.382 63.200 0.308 0.000 0.909 43 S HN 0.849 nan 8.310 nan 0.000 0.555 44 P HA 0.011 nan 4.420 nan 0.000 0.257 44 P C -1.871 175.558 177.300 0.215 0.000 1.162 44 P CA -0.544 62.624 63.100 0.113 0.000 0.762 44 P CB 0.052 31.687 31.700 -0.109 0.000 0.753 45 P HA -0.028 nan 4.420 nan 0.000 0.255 45 P C -0.297 177.072 177.300 0.115 0.000 1.248 45 P CA 0.523 63.758 63.100 0.224 0.000 0.807 45 P CB 0.279 31.794 31.700 -0.309 0.000 1.150 46 N N 0.591 119.353 118.700 0.102 0.000 2.509 46 N HA 0.057 4.797 4.740 -0.000 0.000 0.287 46 N C -0.212 175.275 175.510 -0.038 0.000 1.121 46 N CA -0.495 52.572 53.050 0.027 0.000 0.977 46 N CB 1.396 39.840 38.487 -0.071 0.000 1.167 46 N HN -0.043 nan 8.380 nan 0.000 0.476 47 E N 0.861 121.024 120.200 -0.061 0.000 2.652 47 E HA -0.125 4.225 4.350 -0.000 0.000 0.255 47 E C -0.353 176.159 176.600 -0.147 0.000 0.952 47 E CA 0.113 56.462 56.400 -0.085 0.000 0.947 47 E CB 0.218 29.873 29.700 -0.075 0.000 0.912 47 E HN 0.725 nan 8.360 nan 0.000 0.489 48 N N 2.144 120.760 118.700 -0.140 0.000 2.653 48 N HA 0.263 5.003 4.740 -0.000 0.000 0.294 48 N C -0.830 174.558 175.510 -0.203 0.000 1.305 48 N CA -0.777 52.169 53.050 -0.174 0.000 0.827 48 N CB 0.999 39.403 38.487 -0.139 0.000 1.415 48 N HN 0.177 nan 8.380 nan 0.000 0.546 49 V N 0.264 120.046 119.914 -0.220 0.000 2.614 49 V HA 0.330 4.450 4.120 -0.000 0.000 0.291 49 V C 0.595 176.609 176.094 -0.134 0.000 1.049 49 V CA -0.606 61.578 62.300 -0.193 0.000 1.038 49 V CB 0.602 32.349 31.823 -0.127 0.000 0.980 49 V HN 0.838 nan 8.190 nan 0.000 0.481 50 A N 7.171 129.939 122.820 -0.088 0.000 2.316 50 A HA 0.632 4.952 4.320 -0.000 0.000 0.311 50 A C -0.273 177.085 177.584 -0.378 0.000 1.339 50 A CA -0.297 51.584 52.037 -0.260 0.000 0.960 50 A CB -0.357 18.570 19.000 -0.122 0.000 1.152 50 A HN 0.766 nan 8.150 nan 0.000 0.547 51 I N 2.600 122.868 120.570 -0.504 0.000 2.321 51 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 51 I C -0.170 175.570 176.117 -0.629 0.000 0.998 51 I CA -0.152 60.916 61.300 -0.388 0.000 1.227 51 I CB 1.153 38.992 38.000 -0.269 0.000 1.368 51 I HN 0.779 nan 8.210 nan 0.000 0.466 52 Y N 3.162 123.417 120.300 -0.075 0.000 2.449 52 Y HA 0.174 4.723 4.550 -0.000 0.000 0.254 52 Y C 0.754 176.672 175.900 0.029 0.000 1.140 52 Y CA -0.393 57.706 58.100 -0.003 0.000 1.272 52 Y CB 0.265 38.775 38.460 0.082 0.000 1.114 52 Y HN 0.534 nan 8.280 nan 0.000 0.525 53 N N 1.671 120.404 118.700 0.057 0.000 2.609 53 N HA 0.239 4.979 4.740 -0.000 0.000 0.268 53 N C -2.944 172.506 175.510 -0.099 0.000 1.106 53 N CA -1.879 51.161 53.050 -0.016 0.000 0.823 53 N CB 1.071 39.577 38.487 0.033 0.000 1.263 53 N HN -0.156 nan 8.380 nan 0.000 0.533 54 P HA 0.160 nan 4.420 nan 0.000 0.273 54 P C -0.463 176.687 177.300 -0.250 0.000 1.250 54 P CA -0.394 62.394 63.100 -0.520 0.000 0.793 54 P CB 0.574 31.420 31.700 -1.424 0.000 1.011 55 F N 3.072 122.906 119.950 -0.195 0.000 2.518 55 F HA 0.023 4.549 4.527 -0.000 0.000 0.375 55 F C 0.789 176.594 175.800 0.007 0.000 1.097 55 F CA 0.056 58.056 58.000 -0.001 0.000 1.108 55 F CB -0.311 38.764 39.000 0.124 0.000 1.078 55 F HN 0.237 nan 8.300 nan 0.000 0.564 56 R N 3.595 123.682 120.500 -0.689 0.000 2.965 56 R HA -0.166 4.174 4.340 -0.000 0.000 0.245 56 R C -2.626 173.441 176.300 -0.388 0.000 0.861 56 R CA 0.271 55.972 56.100 -0.666 0.000 0.614 56 R CB -2.360 27.431 30.300 -0.848 0.000 1.229 56 R HN 0.399 nan 8.270 nan 0.000 0.503 57 P HA -0.018 nan 4.420 nan 0.000 0.274 57 P C 1.478 178.431 177.300 -0.578 0.000 1.237 57 P CA -0.535 62.242 63.100 -0.539 0.000 0.793 57 P CB 0.284 31.184 31.700 -1.334 0.000 0.977 58 W N 3.122 124.275 121.300 -0.246 0.000 2.350 58 W HA -0.118 4.541 4.660 -0.000 0.000 0.289 58 W C 1.542 178.137 176.519 0.128 0.000 1.215 58 W CA 0.819 58.151 57.345 -0.023 0.000 1.236 58 W CB -1.794 27.818 29.460 0.254 0.000 1.130 58 W HN 0.467 nan 8.180 nan 0.000 0.541 59 W N 3.413 124.194 121.300 -0.864 0.000 3.077 59 W HA 0.061 4.721 4.660 0.000 0.000 0.245 59 W C 1.410 177.833 176.519 -0.160 0.000 1.316 59 W CA 0.800 57.763 57.345 -0.637 0.000 1.537 59 W CB -1.396 27.336 29.460 -1.214 0.000 1.131 59 W HN 0.217 nan 8.180 nan 0.000 0.695 60 E N 1.669 121.778 120.200 -0.152 0.000 2.347 60 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 60 E C 1.760 178.348 176.600 -0.020 0.000 1.008 60 E CA 0.581 56.941 56.400 -0.067 0.000 0.852 60 E CB -0.470 29.059 29.700 -0.285 0.000 0.783 60 E HN 0.233 nan 8.360 nan 0.000 0.505 61 R N -0.336 120.144 120.500 -0.033 0.000 2.323 61 R HA 0.012 4.352 4.340 -0.000 0.000 0.198 61 R C 0.227 176.332 176.300 -0.325 0.000 0.988 61 R CA 0.505 56.503 56.100 -0.170 0.000 1.041 61 R CB 0.040 30.216 30.300 -0.207 0.000 0.926 61 R HN 0.305 nan 8.270 nan 0.000 0.476 62 Y N 0.031 120.430 120.300 0.164 0.000 2.636 62 Y HA 0.234 4.784 4.550 0.000 0.000 0.260 62 Y C 0.094 176.137 175.900 0.239 0.000 1.177 62 Y CA -0.184 58.049 58.100 0.222 0.000 1.209 62 Y CB 0.729 39.357 38.460 0.280 0.000 1.166 62 Y HN -0.117 nan 8.280 nan 0.000 0.531 63 Q N 1.264 121.172 119.800 0.180 0.000 2.798 63 Q HA 0.287 4.627 4.340 -0.000 0.000 0.250 63 Q C -2.746 173.234 176.000 -0.033 0.000 1.006 63 Q CA -2.012 53.868 55.803 0.128 0.000 0.759 63 Q CB 1.397 30.203 28.738 0.113 0.000 1.201 63 Q HN 0.068 nan 8.270 nan 0.000 0.486 64 P HA -0.049 nan 4.420 nan 0.000 0.267 64 P C 0.163 177.307 177.300 -0.260 0.000 1.200 64 P CA 0.123 63.093 63.100 -0.216 0.000 0.772 64 P CB 1.193 32.726 31.700 -0.278 0.000 0.855 65 V N 0.585 120.322 119.914 -0.296 0.000 3.359 65 V HA 0.120 4.240 4.120 -0.000 0.000 0.245 65 V C 0.758 176.744 176.094 -0.180 0.000 1.247 65 V CA 1.426 63.581 62.300 -0.241 0.000 1.145 65 V CB 0.555 32.120 31.823 -0.431 0.000 0.906 65 V HN 0.816 nan 8.190 nan 0.000 0.464 66 S N -2.138 113.351 115.700 -0.351 0.000 2.683 66 S HA 0.439 4.909 4.470 -0.000 0.000 0.269 66 S C -0.966 173.243 174.600 -0.652 0.000 1.165 66 S CA -0.361 57.555 58.200 -0.473 0.000 0.840 66 S CB 0.856 63.937 63.200 -0.199 0.000 1.169 66 S HN -0.037 nan 8.310 nan 0.000 0.490 67 Y N 0.946 121.099 120.300 -0.245 0.000 2.658 67 Y HA 0.470 5.020 4.550 -0.000 0.000 0.276 67 Y C 0.504 176.345 175.900 -0.099 0.000 1.167 67 Y CA -0.796 57.086 58.100 -0.363 0.000 1.230 67 Y CB -0.081 38.108 38.460 -0.451 0.000 1.144 67 Y HN 0.379 nan 8.280 nan 0.000 0.529 68 K N 0.840 121.258 120.400 0.030 0.000 2.298 68 K HA 0.212 4.532 4.320 -0.000 0.000 0.280 68 K C -0.565 176.088 176.600 0.088 0.000 1.032 68 K CA -0.595 55.738 56.287 0.078 0.000 0.958 68 K CB 0.816 33.341 32.500 0.043 0.000 0.978 68 K HN -0.060 nan 8.250 nan 0.000 0.472 69 L N 3.650 124.943 121.223 0.116 0.000 2.382 69 L HA 0.075 4.415 4.340 -0.000 0.000 0.259 69 L C -0.335 176.610 176.870 0.125 0.000 1.291 69 L CA 0.184 55.062 54.840 0.063 0.000 1.176 69 L CB -0.502 41.533 42.059 -0.041 0.000 1.373 69 L HN 0.595 nan 8.230 nan 0.000 0.426 70 c N 2.088 120.754 118.600 0.110 0.000 2.781 70 c HA 0.758 5.328 4.570 -0.000 0.000 0.348 70 c C 0.285 174.413 174.090 0.063 0.000 1.051 70 c CA 0.054 56.446 56.329 0.106 0.000 1.347 70 c CB 0.058 42.614 42.510 0.077 0.000 1.846 70 c HN 0.874 nan 8.230 nan 0.000 0.473 71 T N 1.933 116.525 114.554 0.063 0.000 2.778 71 T HA 0.497 4.847 4.350 -0.000 0.000 0.293 71 T C 0.863 175.505 174.700 -0.097 0.000 1.144 71 T CA -0.701 61.385 62.100 -0.024 0.000 1.010 71 T CB 1.059 69.915 68.868 -0.020 0.000 1.325 71 T HN 0.539 nan 8.240 nan 0.000 0.515 72 R N 0.166 120.576 120.500 -0.149 0.000 2.341 72 R HA 0.041 4.381 4.340 -0.000 0.000 0.213 72 R C 1.807 177.943 176.300 -0.274 0.000 1.082 72 R CA 0.810 56.804 56.100 -0.175 0.000 1.017 72 R CB -0.370 29.825 30.300 -0.176 0.000 0.860 72 R HN 0.537 nan 8.270 nan 0.000 0.473 73 S N -0.558 114.867 115.700 -0.458 0.000 2.478 73 S HA 0.162 4.632 4.470 -0.000 0.000 0.222 73 S C 0.743 174.802 174.600 -0.901 0.000 1.008 73 S CA 0.617 58.289 58.200 -0.880 0.000 0.928 73 S CB 0.842 62.997 63.200 -1.741 0.000 0.781 73 S HN 0.640 nan 8.310 nan 0.000 0.518 74 G N 1.395 109.932 108.800 -0.438 0.000 2.369 74 G HA2 0.164 4.124 3.960 -0.000 0.000 0.293 74 G HA3 0.164 4.124 3.960 -0.000 0.000 0.293 74 G C -1.501 173.558 174.900 0.265 0.000 1.301 74 G CA -0.679 44.411 45.100 -0.017 0.000 0.913 74 G HN 0.351 nan 8.290 nan 0.000 0.540 75 N N -0.807 118.083 118.700 0.316 0.000 2.604 75 N HA 0.476 5.216 4.740 -0.000 0.000 0.297 75 N C 0.999 176.706 175.510 0.328 0.000 1.266 75 N CA 0.038 53.250 53.050 0.270 0.000 0.961 75 N CB 1.147 39.738 38.487 0.173 0.000 1.166 75 N HN 0.716 nan 8.380 nan 0.000 0.601 76 E N -0.799 119.539 120.200 0.230 0.000 2.118 76 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 76 E C 0.381 177.111 176.600 0.218 0.000 0.992 76 E CA 1.426 57.956 56.400 0.217 0.000 0.804 76 E CB -0.106 29.706 29.700 0.186 0.000 0.741 76 E HN 0.535 nan 8.360 nan 0.000 0.458 77 D N 0.523 121.032 120.400 0.182 0.000 2.092 77 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 77 D C 1.782 178.171 176.300 0.147 0.000 0.994 77 D CA 1.347 55.433 54.000 0.144 0.000 0.828 77 D CB -0.230 40.643 40.800 0.121 0.000 0.963 77 D HN 0.382 nan 8.370 nan 0.000 0.450 78 E N 0.018 120.343 120.200 0.209 0.000 2.110 78 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 78 E C 1.957 178.664 176.600 0.179 0.000 0.988 78 E CA 0.449 56.993 56.400 0.240 0.000 0.804 78 E CB -0.213 29.700 29.700 0.356 0.000 0.745 78 E HN 0.228 nan 8.360 nan 0.000 0.458 79 F N 1.844 121.764 119.950 -0.050 0.000 2.113 79 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 79 F C 2.456 178.062 175.800 -0.323 0.000 1.103 79 F CA 1.506 59.187 58.000 -0.532 0.000 1.248 79 F CB 0.005 38.642 39.000 -0.605 0.000 0.999 79 F HN -0.239 nan 8.300 nan 0.000 0.475 80 R N 0.504 120.951 120.500 -0.088 0.000 2.120 80 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 80 R C 2.309 178.517 176.300 -0.153 0.000 1.123 80 R CA 1.517 57.545 56.100 -0.121 0.000 0.975 80 R CB -0.719 29.609 30.300 0.047 0.000 0.866 80 R HN 0.398 nan 8.270 nan 0.000 0.446 81 N N 0.831 119.480 118.700 -0.085 0.000 2.142 81 N HA -0.219 4.521 4.740 -0.000 0.000 0.186 81 N C 1.871 177.306 175.510 -0.125 0.000 1.023 81 N CA 1.588 54.606 53.050 -0.054 0.000 0.852 81 N CB -0.111 38.383 38.487 0.011 0.000 0.998 81 N HN 0.337 nan 8.380 nan 0.000 0.424 82 M N 0.699 120.177 119.600 -0.203 0.000 2.117 82 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 82 M C 1.804 177.882 176.300 -0.370 0.000 1.065 82 M CA 1.336 56.488 55.300 -0.247 0.000 1.114 82 M CB -0.058 32.378 32.600 -0.274 0.000 1.361 82 M HN -0.060 nan 8.290 nan 0.000 0.408 83 V N 0.667 120.249 119.914 -0.553 0.000 2.343 83 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 83 V C 2.343 178.128 176.094 -0.516 0.000 1.051 83 V CA 2.336 64.284 62.300 -0.585 0.000 1.036 83 V CB -1.264 30.160 31.823 -0.665 0.000 0.654 83 V HN 0.586 nan 8.190 nan 0.000 0.451 84 T N -0.234 114.114 114.554 -0.343 0.000 2.674 84 T HA -0.201 4.149 4.350 -0.000 0.000 0.265 84 T C 2.087 176.699 174.700 -0.147 0.000 1.039 84 T CA 1.696 63.685 62.100 -0.186 0.000 1.150 84 T CB -0.243 68.665 68.868 0.066 0.000 0.864 84 T HN 0.411 nan 8.240 nan 0.000 0.427 85 R N 0.119 120.549 120.500 -0.118 0.000 2.073 85 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 85 R C 2.839 179.064 176.300 -0.126 0.000 1.134 85 R CA 1.490 57.543 56.100 -0.079 0.000 0.952 85 R CB -0.868 29.399 30.300 -0.054 0.000 0.850 85 R HN 0.376 nan 8.270 nan 0.000 0.433 86 c N 0.712 119.195 118.600 -0.195 0.000 2.432 86 c HA -0.054 4.516 4.570 -0.000 0.000 0.277 86 c C 2.366 176.297 174.090 -0.265 0.000 1.249 86 c CA 0.533 56.739 56.329 -0.205 0.000 1.725 86 c CB -1.035 41.332 42.510 -0.238 0.000 2.028 86 c HN 0.511 nan 8.230 nan 0.000 0.477 87 N N 1.530 119.963 118.700 -0.446 0.000 2.120 87 N HA -0.091 4.648 4.740 -0.000 0.000 0.188 87 N C 1.207 176.516 175.510 -0.336 0.000 1.024 87 N CA 1.113 53.783 53.050 -0.633 0.000 0.852 87 N CB -0.701 36.882 38.487 -1.506 0.000 1.003 87 N HN 0.503 nan 8.380 nan 0.000 0.424 88 N N 0.243 118.867 118.700 -0.127 0.000 2.635 88 N HA -0.061 4.679 4.740 -0.000 0.000 0.191 88 N C 0.899 176.410 175.510 0.002 0.000 1.155 88 N CA 0.224 53.317 53.050 0.072 0.000 0.927 88 N CB 0.243 38.800 38.487 0.116 0.000 0.976 88 N HN 0.071 nan 8.380 nan 0.000 0.448 89 V N -1.313 118.566 119.914 -0.057 0.000 3.432 89 V HA 0.261 4.381 4.120 -0.000 0.000 0.298 89 V C 1.185 177.247 176.094 -0.052 0.000 1.464 89 V CA 0.612 62.888 62.300 -0.041 0.000 1.046 89 V CB 0.245 32.046 31.823 -0.037 0.000 0.887 89 V HN 0.341 nan 8.190 nan 0.000 0.441 90 G N 0.663 109.409 108.800 -0.090 0.000 2.157 90 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.248 90 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.248 90 G C 0.172 175.025 174.900 -0.078 0.000 0.979 90 G CA 0.256 45.303 45.100 -0.088 0.000 0.650 90 G HN 0.499 nan 8.290 nan 0.000 0.529 91 V N 2.766 122.622 119.914 -0.097 0.000 2.350 91 V HA 0.564 4.684 4.120 -0.000 0.000 0.276 91 V C 0.663 176.673 176.094 -0.140 0.000 1.028 91 V CA -1.200 61.062 62.300 -0.064 0.000 0.860 91 V CB 1.318 33.116 31.823 -0.041 0.000 0.990 91 V HN 0.320 nan 8.190 nan 0.000 0.453 92 R N 4.211 124.648 120.500 -0.105 0.000 2.615 92 R HA 0.517 4.857 4.340 -0.000 0.000 0.270 92 R C -0.529 175.531 176.300 -0.400 0.000 1.081 92 R CA -0.653 55.291 56.100 -0.260 0.000 1.154 92 R CB 0.811 30.953 30.300 -0.263 0.000 1.063 92 R HN 0.421 nan 8.270 nan 0.000 0.519 93 I N 2.608 122.817 120.570 -0.600 0.000 2.436 93 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 93 I C -0.756 174.921 176.117 -0.733 0.000 1.010 93 I CA -0.896 60.093 61.300 -0.519 0.000 1.098 93 I CB 1.222 38.956 38.000 -0.443 0.000 1.266 93 I HN 0.416 nan 8.210 nan 0.000 0.434 94 Y N 4.803 125.078 120.300 -0.042 0.000 2.341 94 Y HA 0.483 5.033 4.550 -0.000 0.000 0.338 94 Y C 0.212 176.099 175.900 -0.021 0.000 0.965 94 Y CA -0.930 57.148 58.100 -0.037 0.000 1.108 94 Y CB 1.905 40.472 38.460 0.179 0.000 1.180 94 Y HN 0.172 nan 8.280 nan 0.000 0.458 95 V N 3.072 122.984 119.914 -0.003 0.000 2.439 95 V HA 0.120 4.240 4.120 -0.000 0.000 0.282 95 V C -0.168 176.049 176.094 0.206 0.000 1.039 95 V CA -0.812 61.565 62.300 0.127 0.000 0.913 95 V CB 1.470 33.375 31.823 0.136 0.000 0.983 95 V HN 0.668 nan 8.190 nan 0.000 0.460 96 D N 4.242 124.762 120.400 0.200 0.000 2.359 96 D HA 0.319 4.959 4.640 -0.000 0.000 0.250 96 D C 0.083 176.506 176.300 0.205 0.000 1.264 96 D CA -0.008 54.096 54.000 0.173 0.000 0.911 96 D CB 1.179 42.101 40.800 0.203 0.000 1.056 96 D HN 0.684 nan 8.370 nan 0.000 0.499 97 A N 4.098 127.025 122.820 0.180 0.000 2.260 97 A HA 0.397 4.717 4.320 -0.000 0.000 0.312 97 A C -0.114 177.542 177.584 0.119 0.000 1.321 97 A CA -0.674 51.460 52.037 0.161 0.000 0.928 97 A CB 0.690 19.701 19.000 0.019 0.000 1.158 97 A HN 0.370 nan 8.150 nan 0.000 0.542 98 V N 5.646 125.632 119.914 0.120 0.000 2.247 98 V HA 0.139 4.259 4.120 -0.000 0.000 0.262 98 V C 0.937 176.995 176.094 -0.059 0.000 1.096 98 V CA 0.176 62.493 62.300 0.029 0.000 0.895 98 V CB -0.446 31.375 31.823 -0.004 0.000 1.141 98 V HN 0.886 nan 8.190 nan 0.000 0.478 99 I N 0.223 120.769 120.570 -0.040 0.000 4.018 99 I HA 0.289 4.459 4.170 -0.000 0.000 0.337 99 I C 1.603 177.691 176.117 -0.049 0.000 1.327 99 I CA 0.374 61.653 61.300 -0.034 0.000 1.100 99 I CB 0.085 38.060 38.000 -0.042 0.000 1.025 99 I HN 0.486 nan 8.210 nan 0.000 0.396 100 N N 1.592 120.267 118.700 -0.041 0.000 2.354 100 N HA -0.089 4.651 4.740 -0.000 0.000 0.179 100 N C 0.603 176.168 175.510 0.093 0.000 1.021 100 N CA 1.060 54.154 53.050 0.073 0.000 0.887 100 N CB 0.168 38.794 38.487 0.231 0.000 0.974 100 N HN 0.701 nan 8.380 nan 0.000 0.437 101 H N -3.683 115.395 119.070 0.014 0.000 2.933 101 H HA 0.323 4.879 4.556 0.000 0.000 0.310 101 H C -0.611 174.701 175.328 -0.026 0.000 1.351 101 H CA -0.858 55.193 56.048 0.005 0.000 1.137 101 H CB 0.453 30.226 29.762 0.019 0.000 1.853 101 H HN -0.189 nan 8.280 nan 0.000 0.539 102 M N 0.669 120.322 119.600 0.087 0.000 2.424 102 M HA 0.326 4.806 4.480 -0.000 0.000 0.243 102 M C 1.033 177.410 176.300 0.129 0.000 0.874 102 M CA -0.403 54.839 55.300 -0.097 0.000 1.442 102 M CB 0.333 32.643 32.600 -0.483 0.000 1.345 102 M HN 0.883 nan 8.290 nan 0.000 0.767 103 C N 0.049 119.409 119.300 0.101 0.000 2.641 103 C HA 0.736 5.196 4.460 -0.000 0.000 0.318 103 C C 1.030 176.106 174.990 0.143 0.000 1.490 103 C CA -0.890 58.217 59.018 0.147 0.000 2.260 103 C CB -0.921 26.889 27.740 0.118 0.000 2.103 103 C HN 0.834 nan 8.230 nan 0.000 0.641 104 G N 1.370 110.234 108.800 0.106 0.000 2.441 104 G HA2 0.218 4.178 3.960 -0.000 0.000 0.243 104 G HA3 0.218 4.178 3.960 -0.000 0.000 0.243 104 G C 0.909 175.848 174.900 0.065 0.000 1.281 104 G CA 0.172 45.303 45.100 0.053 0.000 0.854 104 G HN 1.031 nan 8.290 nan 0.000 0.560 105 N N 1.403 120.115 118.700 0.021 0.000 2.453 105 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 105 N C 1.751 177.263 175.510 0.004 0.000 1.041 105 N CA 1.046 54.098 53.050 0.004 0.000 0.900 105 N CB -0.019 38.453 38.487 -0.025 0.000 0.961 105 N HN 0.421 nan 8.380 nan 0.000 0.443 106 A N 0.798 123.624 122.820 0.009 0.000 2.208 106 A HA 0.239 4.559 4.320 -0.000 0.000 0.209 106 A C 0.869 178.468 177.584 0.026 0.000 1.161 106 A CA -0.239 51.802 52.037 0.007 0.000 0.782 106 A CB -0.065 18.935 19.000 -0.000 0.000 0.816 106 A HN 0.114 nan 8.150 nan 0.000 0.477 107 V N 1.522 121.473 119.914 0.061 0.000 2.740 107 V HA 0.109 4.229 4.120 -0.000 0.000 0.303 107 V C 0.676 176.791 176.094 0.035 0.000 1.054 107 V CA -0.115 62.246 62.300 0.102 0.000 1.106 107 V CB 1.173 33.130 31.823 0.223 0.000 0.957 107 V HN 0.395 nan 8.190 nan 0.000 0.486 108 S N 3.293 118.991 115.700 -0.004 0.000 2.565 108 S HA 0.535 5.004 4.470 -0.000 0.000 0.276 108 S C 0.482 174.887 174.600 -0.325 0.000 1.326 108 S CA -0.236 57.897 58.200 -0.111 0.000 1.045 108 S CB 1.203 64.358 63.200 -0.074 0.000 0.918 108 S HN 1.069 nan 8.310 nan 0.000 0.505 109 A N 2.256 124.853 122.820 -0.372 0.000 2.386 109 A HA 0.727 5.047 4.320 -0.000 0.000 0.246 109 A C 1.015 178.253 177.584 -0.578 0.000 1.089 109 A CA 0.444 52.105 52.037 -0.627 0.000 0.790 109 A CB -0.491 18.289 19.000 -0.368 0.000 1.042 109 A HN 1.485 nan 8.150 nan 0.000 0.497 110 G N -1.237 107.126 108.800 -0.729 0.000 2.278 110 G HA2 0.381 4.341 3.960 -0.000 0.000 0.265 110 G HA3 0.381 4.341 3.960 -0.000 0.000 0.265 110 G C -0.006 174.717 174.900 -0.294 0.000 1.329 110 G CA 0.583 45.513 45.100 -0.284 0.000 1.017 110 G HN 1.867 nan 8.290 nan 0.000 0.472 111 T N -2.489 112.058 114.554 -0.012 0.000 3.415 111 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 111 T C 0.727 175.560 174.700 0.221 0.000 1.007 111 T CA 0.970 63.163 62.100 0.154 0.000 0.958 111 T CB 0.729 69.702 68.868 0.175 0.000 1.171 111 T HN 1.312 nan 8.240 nan 0.000 0.500 112 S N 2.796 118.656 115.700 0.266 0.000 4.069 112 S HA 0.418 4.888 4.470 -0.000 0.000 0.192 112 S C 0.321 175.139 174.600 0.363 0.000 1.441 112 S CA -0.586 57.803 58.200 0.315 0.000 0.994 112 S CB -1.032 62.354 63.200 0.310 0.000 1.456 112 S HN 0.742 nan 8.310 nan 0.000 0.458 113 S N 0.757 116.617 115.700 0.267 0.000 2.566 113 S HA 0.374 4.844 4.470 -0.000 0.000 0.298 113 S C 1.032 175.665 174.600 0.055 0.000 1.083 113 S CA -0.427 57.832 58.200 0.098 0.000 0.978 113 S CB 1.141 64.386 63.200 0.075 0.000 1.073 113 S HN 0.466 nan 8.310 nan 0.000 0.491 114 T N -3.013 111.533 114.554 -0.014 0.000 3.139 114 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 114 T C 0.849 175.560 174.700 0.018 0.000 1.164 114 T CA 0.691 62.784 62.100 -0.012 0.000 1.075 114 T CB -0.799 68.038 68.868 -0.052 0.000 0.904 114 T HN 0.657 nan 8.240 nan 0.000 0.540 115 c N 0.087 118.709 118.600 0.036 0.000 3.722 115 c HA 0.651 5.221 4.570 -0.000 0.000 0.279 115 c C 1.977 176.109 174.090 0.071 0.000 1.819 115 c CA -0.128 56.231 56.329 0.049 0.000 1.744 115 c CB -0.583 41.952 42.510 0.041 0.000 3.247 115 c HN 0.863 nan 8.230 nan 0.000 0.549 116 G N 1.502 110.358 108.800 0.094 0.000 2.184 116 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 116 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 116 G C 0.260 175.247 174.900 0.146 0.000 0.975 116 G CA 0.631 45.800 45.100 0.115 0.000 0.642 116 G HN 0.607 nan 8.290 nan 0.000 0.536 117 S N -0.035 115.750 115.700 0.141 0.000 2.549 117 S HA 0.371 4.841 4.470 -0.000 0.000 0.286 117 S C 0.007 174.774 174.600 0.279 0.000 1.314 117 S CA -0.211 58.091 58.200 0.171 0.000 1.062 117 S CB 0.625 63.893 63.200 0.113 0.000 0.865 117 S HN 0.584 nan 8.310 nan 0.000 0.498 118 Y N 4.868 125.257 120.300 0.148 0.000 2.304 118 Y HA 0.525 5.075 4.550 -0.000 0.000 0.328 118 Y C -0.497 175.520 175.900 0.195 0.000 1.123 118 Y CA -0.977 57.197 58.100 0.124 0.000 1.218 118 Y CB 0.268 38.741 38.460 0.022 0.000 1.207 118 Y HN 0.557 nan 8.280 nan 0.000 0.495 119 F N 3.736 123.098 119.950 -0.980 0.000 2.631 119 F HA 0.498 5.025 4.527 -0.000 0.000 0.308 119 F C -1.711 173.433 175.800 -1.094 0.000 1.097 119 F CA -1.436 56.020 58.000 -0.907 0.000 0.952 119 F CB 1.489 40.190 39.000 -0.498 0.000 1.307 119 F HN 0.429 nan 8.300 nan 0.000 0.450 120 N N 2.979 121.153 118.700 -0.878 0.000 2.648 120 N HA 0.376 5.116 4.740 -0.000 0.000 0.261 120 N C -2.561 172.658 175.510 -0.485 0.000 1.138 120 N CA -1.996 50.675 53.050 -0.631 0.000 0.804 120 N CB 1.966 40.235 38.487 -0.363 0.000 1.237 120 N HN 0.284 nan 8.380 nan 0.000 0.532 121 P HA -0.059 nan 4.420 nan 0.000 0.216 121 P C 1.316 178.535 177.300 -0.135 0.000 1.153 121 P CA 1.335 64.350 63.100 -0.141 0.000 0.858 121 P CB 0.218 31.931 31.700 0.021 0.000 0.789 122 G N -0.240 108.485 108.800 -0.125 0.000 2.440 122 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 122 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 122 G C 1.407 176.262 174.900 -0.074 0.000 1.154 122 G CA 1.316 46.365 45.100 -0.086 0.000 0.767 122 G HN 0.436 nan 8.290 nan 0.000 0.552 123 S N -0.867 114.785 115.700 -0.081 0.000 2.660 123 S HA 0.316 4.786 4.470 -0.000 0.000 0.227 123 S C 1.091 175.683 174.600 -0.013 0.000 0.948 123 S CA 0.064 58.247 58.200 -0.029 0.000 0.948 123 S CB 0.264 63.462 63.200 -0.004 0.000 0.779 123 S HN 0.206 nan 8.310 nan 0.000 0.487 124 R N 0.511 120.960 120.500 -0.086 0.000 3.627 124 R HA -0.155 4.185 4.340 -0.000 0.000 0.281 124 R C -1.028 175.359 176.300 0.145 0.000 1.140 124 R CA 0.921 56.978 56.100 -0.072 0.000 0.761 124 R CB -2.656 27.628 30.300 -0.026 0.000 1.181 124 R HN 0.678 nan 8.270 nan 0.000 0.472 125 D N -0.460 119.890 120.400 -0.082 0.000 2.303 125 D HA 0.417 5.057 4.640 -0.000 0.000 0.236 125 D C -0.828 175.310 176.300 -0.270 0.000 1.068 125 D CA -0.300 53.705 54.000 0.009 0.000 0.830 125 D CB 0.386 41.209 40.800 0.038 0.000 1.109 125 D HN 0.054 nan 8.370 nan 0.000 0.496 126 F N 5.352 125.449 119.950 0.245 0.000 2.660 126 F HA 0.288 4.815 4.527 -0.000 0.000 0.352 126 F C -1.464 174.431 175.800 0.158 0.000 1.257 126 F CA -1.591 56.532 58.000 0.205 0.000 1.200 126 F CB 1.761 40.916 39.000 0.258 0.000 1.473 126 F HN 0.280 nan 8.300 nan 0.000 0.561 127 P HA -0.228 nan 4.420 nan 0.000 0.219 127 P C 1.362 178.738 177.300 0.128 0.000 1.146 127 P CA 1.485 64.695 63.100 0.183 0.000 0.808 127 P CB 0.353 32.169 31.700 0.193 0.000 0.779 128 A N -0.570 122.328 122.820 0.129 0.000 2.172 128 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 128 A C 2.262 179.838 177.584 -0.014 0.000 1.154 128 A CA 0.980 53.053 52.037 0.062 0.000 0.701 128 A CB -1.137 17.901 19.000 0.063 0.000 0.789 128 A HN 0.107 nan 8.150 nan 0.000 0.465 129 V N 0.377 120.255 119.914 -0.060 0.000 2.341 129 V HA 0.044 4.164 4.120 -0.000 0.000 0.240 129 V C -1.371 174.643 176.094 -0.134 0.000 1.035 129 V CA 1.240 63.407 62.300 -0.223 0.000 1.033 129 V CB -0.779 30.650 31.823 -0.656 0.000 0.678 129 V HN 0.478 nan 8.190 nan 0.000 0.464 130 P HA 0.427 nan 4.420 nan 0.000 0.287 130 P C -1.990 175.362 177.300 0.087 0.000 1.290 130 P CA -0.242 62.874 63.100 0.027 0.000 0.889 130 P CB 1.981 33.739 31.700 0.097 0.000 1.190 131 Y N -0.801 119.678 120.300 0.298 0.000 2.553 131 Y HA 0.497 5.047 4.550 0.000 0.000 0.347 131 Y C 0.695 176.846 175.900 0.418 0.000 1.019 131 Y CA -0.372 57.933 58.100 0.342 0.000 1.032 131 Y CB 2.279 40.926 38.460 0.311 0.000 1.284 131 Y HN 0.551 nan 8.280 nan 0.000 0.466 132 S N -1.193 114.861 115.700 0.589 0.000 2.840 132 S HA 0.571 5.041 4.470 -0.000 0.000 0.307 132 S C 0.954 175.937 174.600 0.638 0.000 1.180 132 S CA -0.336 58.167 58.200 0.504 0.000 0.846 132 S CB 1.099 64.460 63.200 0.267 0.000 1.233 132 S HN 0.863 nan 8.310 nan 0.000 0.548 133 G N -0.213 108.918 108.800 0.551 0.000 2.462 133 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.220 133 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.220 133 G C 0.656 175.867 174.900 0.519 0.000 1.121 133 G CA 0.731 46.135 45.100 0.506 0.000 0.758 133 G HN 0.693 nan 8.290 nan 0.000 0.559 134 W N 1.083 122.496 121.300 0.188 0.000 2.525 134 W HA 0.161 4.821 4.660 0.000 0.000 0.259 134 W C 1.104 177.672 176.519 0.082 0.000 1.253 134 W CA 0.444 57.857 57.345 0.113 0.000 1.262 134 W CB 0.079 29.578 29.460 0.064 0.000 1.122 134 W HN 0.169 nan 8.180 nan 0.000 0.607 135 D N -1.545 119.024 120.400 0.281 0.000 2.368 135 D HA 0.096 4.736 4.640 -0.000 0.000 0.218 135 D C -0.329 175.666 176.300 -0.508 0.000 1.112 135 D CA 0.325 54.263 54.000 -0.104 0.000 0.834 135 D CB -0.150 40.510 40.800 -0.233 0.000 0.953 135 D HN 0.001 nan 8.370 nan 0.000 0.505 136 F N 0.376 120.355 119.950 0.049 0.000 2.556 136 F HA 0.314 4.841 4.527 0.000 0.000 0.327 136 F C 1.390 177.205 175.800 0.025 0.000 1.059 136 F CA -1.054 56.953 58.000 0.012 0.000 0.953 136 F CB 0.991 40.011 39.000 0.033 0.000 1.227 136 F HN -0.349 nan 8.300 nan 0.000 0.478 137 N N 1.159 119.974 118.700 0.192 0.000 2.362 137 N HA -0.051 4.689 4.740 -0.000 0.000 0.204 137 N C 0.717 176.292 175.510 0.108 0.000 1.166 137 N CA 0.323 53.446 53.050 0.122 0.000 0.831 137 N CB -0.204 38.346 38.487 0.104 0.000 1.008 137 N HN 0.602 nan 8.380 nan 0.000 0.472 138 D N 0.687 121.165 120.400 0.129 0.000 2.133 138 D HA -0.156 4.484 4.640 -0.000 0.000 0.192 138 D C 1.824 178.151 176.300 0.045 0.000 1.001 138 D CA 1.302 55.348 54.000 0.076 0.000 0.844 138 D CB -0.134 40.707 40.800 0.070 0.000 0.944 138 D HN 0.358 nan 8.370 nan 0.000 0.447 139 G N 0.354 109.176 108.800 0.036 0.000 2.464 139 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 139 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 139 G C 1.606 176.516 174.900 0.016 0.000 1.138 139 G CA 0.135 45.242 45.100 0.011 0.000 0.793 139 G HN 0.167 nan 8.290 nan 0.000 0.539 140 K N -0.222 120.198 120.400 0.033 0.000 2.103 140 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 140 K C 1.154 177.781 176.600 0.046 0.000 1.052 140 K CA 0.115 56.426 56.287 0.039 0.000 0.945 140 K CB -0.352 32.182 32.500 0.057 0.000 0.722 140 K HN 0.328 nan 8.250 nan 0.000 0.443 141 c N 1.860 120.488 118.600 0.047 0.000 2.676 141 c HA 0.107 4.677 4.570 -0.000 0.000 0.416 141 c C 0.856 174.961 174.090 0.026 0.000 1.299 141 c CA 0.046 56.399 56.329 0.040 0.000 2.048 141 c CB -0.107 42.422 42.510 0.032 0.000 2.713 141 c HN 0.373 nan 8.230 nan 0.000 0.624 142 K N 1.926 122.340 120.400 0.023 0.000 2.447 142 K HA 0.156 4.476 4.320 -0.000 0.000 0.205 142 K C 0.598 177.204 176.600 0.009 0.000 1.059 142 K CA 0.051 56.347 56.287 0.015 0.000 1.065 142 K CB 0.524 33.035 32.500 0.018 0.000 0.885 142 K HN 0.879 nan 8.250 nan 0.000 0.545 143 T N -2.572 111.986 114.554 0.006 0.000 2.899 143 T HA 0.213 4.563 4.350 -0.000 0.000 0.295 143 T C 1.512 176.213 174.700 0.001 0.000 1.033 143 T CA -0.273 61.828 62.100 0.002 0.000 1.084 143 T CB 1.643 70.510 68.868 -0.003 0.000 0.979 143 T HN 0.165 nan 8.240 nan 0.000 0.532 144 G N 0.679 109.479 108.800 0.001 0.000 2.432 144 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 144 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 144 G C 1.592 176.491 174.900 -0.002 0.000 1.135 144 G CA 0.762 45.861 45.100 -0.000 0.000 0.767 144 G HN 0.972 nan 8.290 nan 0.000 0.550 145 S N -1.242 114.456 115.700 -0.004 0.000 2.535 145 S HA 0.389 4.859 4.470 -0.000 0.000 0.214 145 S C 1.916 176.511 174.600 -0.009 0.000 0.980 145 S CA 0.936 59.132 58.200 -0.007 0.000 0.907 145 S CB 0.254 63.449 63.200 -0.008 0.000 0.790 145 S HN 1.462 nan 8.310 nan 0.000 0.510 146 G N 0.891 109.687 108.800 -0.007 0.000 2.205 146 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.261 146 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.261 146 G C -0.271 174.620 174.900 -0.014 0.000 0.980 146 G CA 0.411 45.508 45.100 -0.006 0.000 0.632 146 G HN 0.569 nan 8.290 nan 0.000 0.533 147 D N -0.323 120.065 120.400 -0.021 0.000 2.440 147 D HA 0.577 5.217 4.640 -0.000 0.000 0.258 147 D C 0.966 177.244 176.300 -0.037 0.000 1.092 147 D CA -0.687 53.292 54.000 -0.035 0.000 1.016 147 D CB 0.684 41.464 40.800 -0.034 0.000 1.141 147 D HN 0.199 nan 8.370 nan 0.000 0.552 148 I N 1.480 122.015 120.570 -0.059 0.000 2.421 148 I HA 0.005 4.175 4.170 -0.000 0.000 0.291 148 I C 1.255 177.367 176.117 -0.008 0.000 1.089 148 I CA 0.487 61.738 61.300 -0.082 0.000 1.354 148 I CB 0.371 38.263 38.000 -0.180 0.000 1.413 148 I HN 0.283 nan 8.210 nan 0.000 0.513 149 E N 4.150 124.350 120.200 -0.001 0.000 2.290 149 E HA 0.084 4.434 4.350 -0.000 0.000 0.197 149 E C 0.394 177.042 176.600 0.081 0.000 0.948 149 E CA 0.203 56.628 56.400 0.042 0.000 0.895 149 E CB 0.470 30.183 29.700 0.021 0.000 0.865 149 E HN 0.598 nan 8.360 nan 0.000 0.486 150 N N -0.407 118.323 118.700 0.051 0.000 2.519 150 N HA 0.098 4.838 4.740 -0.000 0.000 0.286 150 N C -0.727 174.819 175.510 0.060 0.000 1.079 150 N CA -0.226 52.877 53.050 0.088 0.000 0.878 150 N CB 0.658 39.172 38.487 0.045 0.000 1.375 150 N HN -0.088 nan 8.380 nan 0.000 0.514 151 Y N 1.976 122.274 120.300 -0.005 0.000 2.632 151 Y HA 0.072 4.621 4.550 -0.000 0.000 0.301 151 Y C 1.253 177.140 175.900 -0.021 0.000 1.172 151 Y CA 0.731 58.823 58.100 -0.013 0.000 1.328 151 Y CB -0.119 38.330 38.460 -0.018 0.000 1.016 151 Y HN 0.631 nan 8.280 nan 0.000 0.529 152 N N -0.564 118.194 118.700 0.095 0.000 2.336 152 N HA -0.055 4.685 4.740 -0.000 0.000 0.189 152 N C -0.296 175.226 175.510 0.019 0.000 1.113 152 N CA 0.079 53.160 53.050 0.052 0.000 0.858 152 N CB 0.301 38.817 38.487 0.048 0.000 0.970 152 N HN 0.108 nan 8.380 nan 0.000 0.471 153 D N 0.488 120.886 120.400 -0.004 0.000 2.477 153 D HA 0.275 4.915 4.640 -0.000 0.000 0.239 153 D C 0.693 176.963 176.300 -0.049 0.000 1.102 153 D CA -0.631 53.363 54.000 -0.011 0.000 0.901 153 D CB 0.900 41.697 40.800 -0.005 0.000 1.026 153 D HN 0.068 nan 8.370 nan 0.000 0.515 154 A N 2.734 125.528 122.820 -0.044 0.000 2.194 154 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 154 A C 1.886 179.376 177.584 -0.157 0.000 1.162 154 A CA 1.647 53.613 52.037 -0.118 0.000 0.674 154 A CB -0.360 18.594 19.000 -0.077 0.000 0.789 154 A HN 0.565 nan 8.150 nan 0.000 0.470 155 T N 0.025 114.587 114.554 0.012 0.000 2.894 155 T HA -0.091 4.259 4.350 -0.000 0.000 0.258 155 T C 2.032 176.769 174.700 0.062 0.000 1.043 155 T CA 1.375 63.568 62.100 0.155 0.000 1.141 155 T CB -0.170 68.828 68.868 0.217 0.000 0.873 155 T HN 0.903 nan 8.240 nan 0.000 0.449 156 Q N 0.922 120.716 119.800 -0.009 0.000 2.378 156 Q HA 0.088 4.428 4.340 -0.000 0.000 0.205 156 Q C 1.936 177.872 176.000 -0.107 0.000 0.954 156 Q CA 0.688 56.471 55.803 -0.034 0.000 0.901 156 Q CB -0.517 28.197 28.738 -0.039 0.000 0.981 156 Q HN 0.261 nan 8.270 nan 0.000 0.483 157 V N 0.838 120.639 119.914 -0.188 0.000 2.515 157 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 157 V C 1.966 177.989 176.094 -0.119 0.000 1.058 157 V CA 1.779 63.932 62.300 -0.244 0.000 1.064 157 V CB -0.329 31.270 31.823 -0.372 0.000 0.675 157 V HN 0.264 nan 8.190 nan 0.000 0.461 158 R N 0.048 120.412 120.500 -0.227 0.000 2.105 158 R HA 0.051 4.391 4.340 -0.000 0.000 0.214 158 R C 1.786 178.089 176.300 0.005 0.000 1.091 158 R CA 1.011 56.960 56.100 -0.250 0.000 1.007 158 R CB -0.402 29.384 30.300 -0.856 0.000 0.912 158 R HN 0.455 nan 8.270 nan 0.000 0.450 159 D N -0.906 119.544 120.400 0.084 0.000 2.346 159 D HA 0.058 4.698 4.640 -0.000 0.000 0.206 159 D C 0.224 176.562 176.300 0.063 0.000 1.001 159 D CA 0.350 54.424 54.000 0.124 0.000 0.871 159 D CB 0.187 41.087 40.800 0.166 0.000 0.943 159 D HN 0.097 nan 8.370 nan 0.000 0.518 160 c N 0.807 119.417 118.600 0.016 0.000 2.328 160 c HA 0.463 5.033 4.570 -0.000 0.000 0.378 160 c C 0.786 174.852 174.090 -0.040 0.000 1.249 160 c CA -0.965 55.359 56.329 -0.008 0.000 2.204 160 c CB 1.148 43.641 42.510 -0.029 0.000 2.218 160 c HN 0.071 nan 8.230 nan 0.000 0.564 161 R N 0.995 121.466 120.500 -0.049 0.000 2.267 161 R HA 0.351 4.691 4.340 -0.000 0.000 0.319 161 R C -0.696 175.512 176.300 -0.153 0.000 1.067 161 R CA -0.500 55.549 56.100 -0.085 0.000 0.936 161 R CB 0.309 30.576 30.300 -0.055 0.000 1.006 161 R HN 0.464 nan 8.270 nan 0.000 0.452 162 L N 4.755 125.823 121.223 -0.258 0.000 2.456 162 L HA -0.012 4.328 4.340 -0.000 0.000 0.277 162 L C 0.296 177.029 176.870 -0.228 0.000 1.124 162 L CA 0.784 55.429 54.840 -0.326 0.000 0.880 162 L CB 0.191 41.904 42.059 -0.576 0.000 1.192 162 L HN 0.933 nan 8.230 nan 0.000 0.463 163 T N 1.849 116.316 114.554 -0.144 0.000 3.549 163 T HA -0.174 4.176 4.350 -0.000 0.000 0.398 163 T C 1.133 175.754 174.700 -0.131 0.000 0.766 163 T CA 1.116 63.142 62.100 -0.125 0.000 2.007 163 T CB -2.362 66.418 68.868 -0.146 0.000 1.727 163 T HN 2.266 nan 8.240 nan 0.000 0.693 164 G N -0.408 108.330 108.800 -0.103 0.000 2.257 164 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.267 164 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.267 164 G C 0.186 175.041 174.900 -0.075 0.000 0.984 164 G CA 0.045 45.098 45.100 -0.079 0.000 0.626 164 G HN 0.956 nan 8.290 nan 0.000 0.540 165 L N 1.411 122.557 121.223 -0.128 0.000 2.534 165 L HA 0.262 4.602 4.340 -0.000 0.000 0.271 165 L C 1.462 178.327 176.870 -0.009 0.000 1.178 165 L CA 0.056 54.831 54.840 -0.109 0.000 0.907 165 L CB 0.121 41.955 42.059 -0.377 0.000 1.164 165 L HN 0.216 nan 8.230 nan 0.000 0.482 166 L N 3.836 125.097 121.223 0.063 0.000 2.660 166 L HA -0.082 4.258 4.340 -0.000 0.000 0.272 166 L C 0.456 177.496 176.870 0.282 0.000 1.194 166 L CA 0.187 55.089 54.840 0.104 0.000 0.945 166 L CB -0.121 41.911 42.059 -0.045 0.000 1.212 166 L HN 0.538 nan 8.230 nan 0.000 0.490 167 D N 3.949 124.514 120.400 0.276 0.000 2.295 167 D HA 0.331 4.971 4.640 -0.000 0.000 0.248 167 D C -0.284 176.126 176.300 0.183 0.000 1.154 167 D CA -0.212 53.917 54.000 0.215 0.000 0.857 167 D CB 0.843 41.716 40.800 0.122 0.000 1.117 167 D HN 0.241 nan 8.370 nan 0.000 0.468 168 L N 2.412 123.622 121.223 -0.022 0.000 2.380 168 L HA 0.358 4.698 4.340 -0.000 0.000 0.273 168 L C 0.652 177.431 176.870 -0.152 0.000 1.138 168 L CA -0.824 53.829 54.840 -0.313 0.000 0.832 168 L CB 1.083 42.915 42.059 -0.378 0.000 1.124 168 L HN 0.463 nan 8.230 nan 0.000 0.454 169 A N 5.191 127.896 122.820 -0.192 0.000 2.915 169 A HA 0.288 4.608 4.320 -0.000 0.000 0.292 169 A C 1.028 178.591 177.584 -0.036 0.000 1.632 169 A CA -0.343 51.662 52.037 -0.054 0.000 1.337 169 A CB -0.547 18.436 19.000 -0.029 0.000 1.111 169 A HN 0.836 nan 8.150 nan 0.000 0.569 170 L N 1.021 122.245 121.223 0.002 0.000 2.633 170 L HA -0.078 4.262 4.340 -0.000 0.000 0.235 170 L C 2.330 179.219 176.870 0.032 0.000 1.163 170 L CA 0.827 55.677 54.840 0.017 0.000 0.859 170 L CB -0.234 41.855 42.059 0.051 0.000 0.973 170 L HN 0.846 nan 8.230 nan 0.000 0.451 171 E N 0.912 121.130 120.200 0.031 0.000 2.447 171 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 171 E C 0.254 176.866 176.600 0.019 0.000 1.028 171 E CA 0.052 56.459 56.400 0.012 0.000 0.876 171 E CB 0.187 29.877 29.700 -0.016 0.000 0.885 171 E HN 0.355 nan 8.360 nan 0.000 0.500 172 K N 1.623 122.044 120.400 0.036 0.000 2.276 172 K HA 0.048 4.368 4.320 -0.000 0.000 0.283 172 K C 0.138 176.781 176.600 0.072 0.000 1.044 172 K CA 0.052 56.382 56.287 0.070 0.000 0.944 172 K CB 1.215 33.782 32.500 0.113 0.000 1.012 172 K HN -0.108 nan 8.250 nan 0.000 0.472 173 D N 1.917 122.365 120.400 0.080 0.000 2.149 173 D HA -0.240 4.400 4.640 -0.000 0.000 0.198 173 D C 1.504 177.850 176.300 0.076 0.000 0.990 173 D CA 1.408 55.446 54.000 0.063 0.000 0.839 173 D CB 0.028 40.867 40.800 0.064 0.000 0.948 173 D HN 0.620 nan 8.370 nan 0.000 0.460 174 Y N 0.463 120.787 120.300 0.040 0.000 2.128 174 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 174 Y C 2.105 178.052 175.900 0.078 0.000 1.154 174 Y CA 1.531 59.663 58.100 0.053 0.000 1.149 174 Y CB -0.577 37.923 38.460 0.067 0.000 0.976 174 Y HN -0.070 nan 8.280 nan 0.000 0.505 175 V N 0.744 120.652 119.914 -0.009 0.000 2.358 175 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 175 V C 2.411 178.452 176.094 -0.088 0.000 1.047 175 V CA 2.249 64.524 62.300 -0.042 0.000 1.035 175 V CB -0.611 31.200 31.823 -0.019 0.000 0.658 175 V HN 0.340 nan 8.190 nan 0.000 0.452 176 R N -0.088 120.372 120.500 -0.068 0.000 2.096 176 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 176 R C 2.558 178.789 176.300 -0.115 0.000 1.127 176 R CA 1.691 57.748 56.100 -0.073 0.000 0.968 176 R CB -0.423 29.853 30.300 -0.041 0.000 0.861 176 R HN 0.450 nan 8.270 nan 0.000 0.440 177 S N 0.515 116.131 115.700 -0.141 0.000 2.387 177 S HA -0.041 4.429 4.470 -0.000 0.000 0.226 177 S C 1.614 176.086 174.600 -0.213 0.000 1.026 177 S CA 0.931 59.037 58.200 -0.156 0.000 0.972 177 S CB 0.068 63.191 63.200 -0.129 0.000 0.814 177 S HN 0.177 nan 8.310 nan 0.000 0.477 178 K N 1.284 121.502 120.400 -0.304 0.000 2.211 178 K HA 0.160 4.480 4.320 -0.000 0.000 0.203 178 K C 1.795 178.234 176.600 -0.269 0.000 1.050 178 K CA 0.673 56.788 56.287 -0.286 0.000 0.945 178 K CB -0.437 31.845 32.500 -0.363 0.000 0.732 178 K HN 0.415 nan 8.250 nan 0.000 0.451 179 I N 0.607 121.039 120.570 -0.230 0.000 2.333 179 I HA -0.166 4.004 4.170 -0.000 0.000 0.246 179 I C 2.297 178.259 176.117 -0.259 0.000 1.106 179 I CA 0.792 61.920 61.300 -0.288 0.000 1.411 179 I CB -0.270 37.627 38.000 -0.172 0.000 1.082 179 I HN -0.003 nan 8.210 nan 0.000 0.420 180 A N 0.165 122.855 122.820 -0.215 0.000 1.930 180 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 180 A C 2.281 179.733 177.584 -0.219 0.000 1.175 180 A CA 1.549 53.454 52.037 -0.220 0.000 0.627 180 A CB -0.550 18.348 19.000 -0.169 0.000 0.815 180 A HN 0.448 nan 8.150 nan 0.000 0.443 181 E N -1.328 118.765 120.200 -0.179 0.000 2.085 181 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 181 E C 1.828 178.373 176.600 -0.092 0.000 0.994 181 E CA 1.602 57.923 56.400 -0.132 0.000 0.801 181 E CB -0.315 29.318 29.700 -0.111 0.000 0.743 181 E HN 0.721 nan 8.360 nan 0.000 0.453 182 Y N 0.875 120.996 120.300 -0.298 0.000 2.114 182 Y HA -0.198 4.352 4.550 0.000 0.000 0.284 182 Y C 2.087 177.880 175.900 -0.178 0.000 1.143 182 Y CA 1.941 59.868 58.100 -0.289 0.000 1.135 182 Y CB -0.382 37.645 38.460 -0.723 0.000 0.980 182 Y HN 0.016 nan 8.280 nan 0.000 0.499 183 M N 0.008 119.304 119.600 -0.506 0.000 2.132 183 M HA -0.205 4.275 4.480 -0.000 0.000 0.263 183 M C 1.779 177.934 176.300 -0.242 0.000 1.065 183 M CA 1.560 56.527 55.300 -0.554 0.000 1.122 183 M CB -0.399 31.779 32.600 -0.704 0.000 1.365 183 M HN 0.226 nan 8.290 nan 0.000 0.411 184 N N -0.300 118.245 118.700 -0.259 0.000 2.244 184 N HA -0.180 4.560 4.740 -0.000 0.000 0.183 184 N C 1.597 177.056 175.510 -0.085 0.000 1.016 184 N CA 1.259 54.126 53.050 -0.306 0.000 0.866 184 N CB -0.612 37.467 38.487 -0.681 0.000 0.980 184 N HN 0.423 nan 8.380 nan 0.000 0.430 185 H N 1.161 120.144 119.070 -0.145 0.000 2.352 185 H HA 0.034 4.590 4.556 -0.000 0.000 0.299 185 H C 2.013 177.325 175.328 -0.027 0.000 1.097 185 H CA 1.421 57.437 56.048 -0.053 0.000 1.311 185 H CB -0.457 29.280 29.762 -0.040 0.000 1.377 185 H HN 0.117 nan 8.280 nan 0.000 0.504 186 L N -0.510 120.586 121.223 -0.213 0.000 2.056 186 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 186 L C 2.668 179.492 176.870 -0.077 0.000 1.078 186 L CA 1.200 55.921 54.840 -0.199 0.000 0.749 186 L CB -0.356 41.608 42.059 -0.157 0.000 0.901 186 L HN 0.283 nan 8.230 nan 0.000 0.433 187 I N 0.005 120.570 120.570 -0.010 0.000 2.179 187 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 187 I C 1.999 178.146 176.117 0.051 0.000 1.088 187 I CA 1.285 62.582 61.300 -0.005 0.000 1.357 187 I CB -0.404 37.620 38.000 0.040 0.000 1.051 187 I HN 0.263 nan 8.210 nan 0.000 0.409 188 D N 0.786 121.248 120.400 0.105 0.000 2.263 188 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 188 D C 2.157 178.547 176.300 0.150 0.000 0.971 188 D CA 1.155 55.253 54.000 0.163 0.000 0.867 188 D CB -0.118 40.807 40.800 0.208 0.000 0.929 188 D HN 0.384 nan 8.370 nan 0.000 0.492 189 I N -0.612 120.001 120.570 0.073 0.000 2.546 189 I HA -0.042 4.128 4.170 -0.000 0.000 0.255 189 I C 1.705 177.870 176.117 0.080 0.000 1.163 189 I CA 1.113 62.450 61.300 0.062 0.000 1.457 189 I CB 0.185 38.166 38.000 -0.031 0.000 1.092 189 I HN 0.164 nan 8.210 nan 0.000 0.434 190 G N 0.502 109.325 108.800 0.039 0.000 2.370 190 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.174 190 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.174 190 G C 0.354 175.159 174.900 -0.159 0.000 1.002 190 G CA -0.052 45.045 45.100 -0.005 0.000 0.730 190 G HN 0.183 nan 8.290 nan 0.000 0.497 191 V N -0.347 119.427 119.914 -0.234 0.000 2.872 191 V HA 0.663 4.783 4.120 -0.000 0.000 0.307 191 V C 1.303 177.130 176.094 -0.445 0.000 1.072 191 V CA 1.018 63.093 62.300 -0.375 0.000 1.148 191 V CB 1.400 32.975 31.823 -0.413 0.000 0.954 191 V HN 1.355 nan 8.190 nan 0.000 0.490 192 A N 2.892 125.389 122.820 -0.539 0.000 2.267 192 A HA 0.756 5.076 4.320 -0.000 0.000 0.213 192 A C 1.152 178.562 177.584 -0.289 0.000 1.192 192 A CA 0.639 52.370 52.037 -0.510 0.000 0.851 192 A CB -0.515 18.247 19.000 -0.396 0.000 0.881 192 A HN 2.105 nan 8.150 nan 0.000 0.494 193 G N -1.906 106.658 108.800 -0.394 0.000 2.320 193 G HA2 0.478 4.437 3.960 -0.000 0.000 0.296 193 G HA3 0.478 4.437 3.960 -0.000 0.000 0.296 193 G C -1.512 173.050 174.900 -0.564 0.000 1.306 193 G CA -0.720 44.270 45.100 -0.182 0.000 0.836 193 G HN 0.214 nan 8.290 nan 0.000 0.517 194 F N -0.679 119.298 119.950 0.046 0.000 2.613 194 F HA 0.716 5.243 4.527 -0.000 0.000 0.310 194 F C 0.228 175.702 175.800 -0.544 0.000 1.085 194 F CA -0.909 57.007 58.000 -0.140 0.000 0.945 194 F CB 2.497 41.405 39.000 -0.154 0.000 1.298 194 F HN 0.483 nan 8.300 nan 0.000 0.455 195 R N 2.816 123.066 120.500 -0.415 0.000 2.215 195 R HA 0.522 4.862 4.340 -0.000 0.000 0.336 195 R C -1.555 174.582 176.300 -0.271 0.000 0.996 195 R CA -0.399 55.203 56.100 -0.829 0.000 0.847 195 R CB 0.416 30.366 30.300 -0.584 0.000 1.127 195 R HN 0.778 nan 8.270 nan 0.000 0.465 196 L N 4.600 125.687 121.223 -0.228 0.000 2.342 196 L HA 0.136 4.476 4.340 -0.000 0.000 0.285 196 L C 0.189 177.047 176.870 -0.020 0.000 1.095 196 L CA -0.354 54.435 54.840 -0.084 0.000 0.843 196 L CB 0.612 42.630 42.059 -0.069 0.000 1.201 196 L HN 0.632 nan 8.230 nan 0.000 0.445 197 D N 3.559 123.991 120.400 0.054 0.000 2.414 197 D HA 0.293 4.933 4.640 -0.000 0.000 0.242 197 D C 0.808 177.193 176.300 0.142 0.000 1.129 197 D CA 0.578 54.660 54.000 0.136 0.000 0.885 197 D CB 0.962 41.912 40.800 0.249 0.000 1.198 197 D HN 0.713 nan 8.370 nan 0.000 0.437 198 A N 2.794 125.707 122.820 0.155 0.000 2.687 198 A HA -0.229 4.091 4.320 -0.000 0.000 0.299 198 A C 1.751 179.397 177.584 0.104 0.000 1.497 198 A CA 1.123 53.282 52.037 0.204 0.000 0.751 198 A CB -2.084 17.108 19.000 0.320 0.000 1.048 198 A HN 0.434 nan 8.150 nan 0.000 0.464 199 S N -0.672 115.012 115.700 -0.027 0.000 2.447 199 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 199 S C 1.806 176.263 174.600 -0.239 0.000 1.006 199 S CA 1.389 59.519 58.200 -0.118 0.000 0.957 199 S CB -0.098 62.964 63.200 -0.230 0.000 0.773 199 S HN 0.855 nan 8.310 nan 0.000 0.507 200 K N 0.776 120.971 120.400 -0.343 0.000 2.211 200 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 200 K C 0.957 177.298 176.600 -0.431 0.000 1.050 200 K CA 1.034 57.076 56.287 -0.409 0.000 0.945 200 K CB -0.089 32.119 32.500 -0.487 0.000 0.732 200 K HN 0.438 nan 8.250 nan 0.000 0.451 201 H N -0.269 118.746 119.070 -0.092 0.000 2.533 201 H HA 0.184 4.740 4.556 -0.000 0.000 0.271 201 H C 0.025 175.277 175.328 -0.126 0.000 1.000 201 H CA 0.344 56.315 56.048 -0.128 0.000 1.149 201 H CB 0.027 29.746 29.762 -0.073 0.000 1.375 201 H HN 0.178 nan 8.280 nan 0.000 0.582 202 M N -0.334 119.252 119.600 -0.023 0.000 2.530 202 M HA 0.207 4.687 4.480 -0.000 0.000 0.307 202 M C -1.003 175.283 176.300 -0.024 0.000 1.161 202 M CA -0.863 54.450 55.300 0.021 0.000 0.903 202 M CB 2.352 35.021 32.600 0.116 0.000 1.711 202 M HN -0.027 nan 8.290 nan 0.000 0.451 203 W N 2.052 123.392 121.300 0.065 0.000 2.238 203 W HA 0.259 4.919 4.660 -0.000 0.000 0.321 203 W C -1.776 174.722 176.519 -0.035 0.000 1.293 203 W CA -0.957 56.388 57.345 0.001 0.000 1.204 203 W CB -0.212 29.234 29.460 -0.022 0.000 1.167 203 W HN 0.484 nan 8.180 nan 0.000 0.553 204 P HA -0.214 nan 4.420 nan 0.000 0.216 204 P C 1.690 179.003 177.300 0.022 0.000 1.150 204 P CA 2.535 65.546 63.100 -0.147 0.000 0.843 204 P CB 0.092 31.562 31.700 -0.384 0.000 0.787 205 G N -0.663 108.182 108.800 0.075 0.000 2.422 205 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 205 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 205 G C 1.225 176.161 174.900 0.061 0.000 1.140 205 G CA 0.681 45.811 45.100 0.049 0.000 0.775 205 G HN 0.188 nan 8.290 nan 0.000 0.545 206 D N 0.584 121.054 120.400 0.117 0.000 2.149 206 D HA -0.021 4.619 4.640 -0.000 0.000 0.201 206 D C 2.556 178.896 176.300 0.067 0.000 0.972 206 D CA 0.291 54.347 54.000 0.094 0.000 0.835 206 D CB -0.012 40.880 40.800 0.153 0.000 0.966 206 D HN 0.350 nan 8.370 nan 0.000 0.476 207 I N 0.795 121.417 120.570 0.087 0.000 2.179 207 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 207 I C 2.367 178.501 176.117 0.029 0.000 1.088 207 I CA 0.979 62.316 61.300 0.061 0.000 1.357 207 I CB -0.126 37.941 38.000 0.111 0.000 1.051 207 I HN -0.090 nan 8.210 nan 0.000 0.409 208 K N 1.727 122.149 120.400 0.036 0.000 2.103 208 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 208 K C 2.019 178.622 176.600 0.005 0.000 1.048 208 K CA 1.786 58.085 56.287 0.020 0.000 0.930 208 K CB -0.390 32.125 32.500 0.024 0.000 0.716 208 K HN 0.296 nan 8.250 nan 0.000 0.444 209 A N 0.491 123.314 122.820 0.006 0.000 1.933 209 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 209 A C 2.230 179.803 177.584 -0.019 0.000 1.175 209 A CA 1.733 53.768 52.037 -0.004 0.000 0.628 209 A CB -0.597 18.403 19.000 -0.000 0.000 0.814 209 A HN 0.369 nan 8.150 nan 0.000 0.444 210 I N -0.433 120.120 120.570 -0.029 0.000 2.286 210 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 210 I C 2.204 178.277 176.117 -0.074 0.000 1.104 210 I CA 0.850 62.112 61.300 -0.062 0.000 1.397 210 I CB -0.293 37.659 38.000 -0.080 0.000 1.072 210 I HN 0.263 nan 8.210 nan 0.000 0.417 211 L N 0.354 121.542 121.223 -0.058 0.000 2.191 211 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 211 L C 1.846 178.695 176.870 -0.035 0.000 1.103 211 L CA 1.038 55.845 54.840 -0.055 0.000 0.769 211 L CB -0.727 41.309 42.059 -0.039 0.000 0.908 211 L HN 0.284 nan 8.230 nan 0.000 0.438 212 D N 0.376 120.762 120.400 -0.023 0.000 2.264 212 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 212 D C 1.813 178.109 176.300 -0.007 0.000 0.966 212 D CA 1.070 55.065 54.000 -0.009 0.000 0.864 212 D CB 0.054 40.852 40.800 -0.004 0.000 0.933 212 D HN 0.338 nan 8.370 nan 0.000 0.499 213 K N -0.221 120.163 120.400 -0.026 0.000 2.404 213 K HA 0.076 4.396 4.320 -0.000 0.000 0.194 213 K C 0.011 176.586 176.600 -0.041 0.000 1.023 213 K CA -0.310 55.961 56.287 -0.028 0.000 1.094 213 K CB 0.649 33.117 32.500 -0.054 0.000 0.841 213 K HN -0.030 nan 8.250 nan 0.000 0.523 214 L N 1.284 122.481 121.223 -0.043 0.000 2.350 214 L HA 0.154 4.494 4.340 -0.000 0.000 0.275 214 L C 0.473 177.381 176.870 0.063 0.000 1.099 214 L CA -0.066 54.739 54.840 -0.057 0.000 0.808 214 L CB 0.480 42.507 42.059 -0.054 0.000 1.149 214 L HN 0.130 nan 8.230 nan 0.000 0.442 215 H N 1.221 120.288 119.070 -0.006 0.000 2.660 215 H HA 0.174 4.730 4.556 0.000 0.000 0.374 215 H C -0.103 175.221 175.328 -0.008 0.000 1.291 215 H CA -0.502 55.546 56.048 -0.001 0.000 1.437 215 H CB 0.655 30.422 29.762 0.008 0.000 1.509 215 H HN 0.593 nan 8.280 nan 0.000 0.614 216 N N 0.192 118.968 118.700 0.127 0.000 2.493 216 N HA 0.155 4.895 4.740 -0.000 0.000 0.275 216 N C -0.408 175.121 175.510 0.032 0.000 1.186 216 N CA -0.677 52.400 53.050 0.045 0.000 0.978 216 N CB 0.997 39.500 38.487 0.027 0.000 1.184 216 N HN 0.196 nan 8.380 nan 0.000 0.487 217 L N 1.242 122.427 121.223 -0.062 0.000 2.516 217 L HA -0.056 4.284 4.340 -0.000 0.000 0.288 217 L C 0.844 177.759 176.870 0.075 0.000 1.246 217 L CA 0.137 54.886 54.840 -0.153 0.000 0.844 217 L CB -0.123 41.550 42.059 -0.643 0.000 1.106 217 L HN 0.606 nan 8.230 nan 0.000 0.509 218 N N 0.289 119.112 118.700 0.205 0.000 2.386 218 N HA -0.093 4.647 4.740 -0.000 0.000 0.273 218 N C 1.130 176.853 175.510 0.356 0.000 1.331 218 N CA 0.252 53.498 53.050 0.326 0.000 0.891 218 N CB 0.580 39.369 38.487 0.503 0.000 1.139 218 N HN 0.629 nan 8.380 nan 0.000 0.487 219 S N 2.470 118.270 115.700 0.166 0.000 2.537 219 S HA -0.107 4.363 4.470 -0.000 0.000 0.240 219 S C 1.184 175.789 174.600 0.008 0.000 0.981 219 S CA 0.454 58.715 58.200 0.101 0.000 0.948 219 S CB -0.055 63.166 63.200 0.036 0.000 0.759 219 S HN 0.635 nan 8.310 nan 0.000 0.531 220 N N -0.134 118.515 118.700 -0.085 0.000 2.457 220 N HA 0.040 4.780 4.740 -0.000 0.000 0.180 220 N C 0.527 175.744 175.510 -0.488 0.000 1.050 220 N CA 0.826 53.650 53.050 -0.377 0.000 0.906 220 N CB -0.019 38.057 38.487 -0.684 0.000 0.968 220 N HN 0.631 nan 8.380 nan 0.000 0.445 221 W N -0.645 120.613 121.300 -0.071 0.000 2.782 221 W HA 0.283 4.943 4.660 0.000 0.000 0.268 221 W C -0.285 175.921 176.519 -0.522 0.000 1.043 221 W CA -0.160 56.981 57.345 -0.341 0.000 1.387 221 W CB 0.256 29.384 29.460 -0.553 0.000 0.904 221 W HN -0.190 nan 8.180 nan 0.000 0.625 222 F N 1.821 121.876 119.950 0.175 0.000 2.561 222 F HA 0.490 5.017 4.527 -0.000 0.000 0.321 222 F C -1.775 174.054 175.800 0.048 0.000 1.065 222 F CA -2.773 55.284 58.000 0.095 0.000 0.934 222 F CB 0.263 39.310 39.000 0.078 0.000 1.215 222 F HN -0.429 nan 8.300 nan 0.000 0.471 223 P HA 0.148 nan 4.420 nan 0.000 0.269 223 P C -0.736 176.631 177.300 0.113 0.000 1.209 223 P CA -0.238 62.933 63.100 0.118 0.000 0.776 223 P CB 0.654 32.407 31.700 0.089 0.000 0.876 224 A N 2.181 125.043 122.820 0.070 0.000 2.565 224 A HA 0.379 4.699 4.320 -0.000 0.000 0.237 224 A C 1.498 179.109 177.584 0.045 0.000 1.053 224 A CA 0.832 52.900 52.037 0.051 0.000 0.755 224 A CB -1.355 17.663 19.000 0.029 0.000 0.980 224 A HN 0.940 nan 8.150 nan 0.000 0.506 225 G N 1.433 110.255 108.800 0.037 0.000 2.175 225 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 225 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 225 G C 0.416 175.332 174.900 0.027 0.000 0.982 225 G CA 0.306 45.423 45.100 0.028 0.000 0.641 225 G HN 1.190 nan 8.290 nan 0.000 0.527 226 S N 0.922 116.641 115.700 0.032 0.000 2.548 226 S HA 0.506 4.976 4.470 -0.000 0.000 0.277 226 S C 0.420 175.000 174.600 -0.033 0.000 1.315 226 S CA 0.005 58.210 58.200 0.007 0.000 1.050 226 S CB 1.216 64.427 63.200 0.018 0.000 0.918 226 S HN 0.444 nan 8.310 nan 0.000 0.497 227 K N 3.236 123.616 120.400 -0.034 0.000 2.203 227 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 227 K C -2.618 173.955 176.600 -0.045 0.000 0.944 227 K CA -2.307 53.961 56.287 -0.033 0.000 0.829 227 K CB 1.084 33.571 32.500 -0.022 0.000 1.125 227 K HN 0.342 nan 8.250 nan 0.000 0.430 228 P HA -0.065 nan 4.420 nan 0.000 0.268 228 P C -0.644 176.720 177.300 0.107 0.000 1.205 228 P CA -0.145 62.956 63.100 0.002 0.000 0.771 228 P CB 0.321 32.067 31.700 0.077 0.000 0.858 229 F N 4.716 124.655 119.950 -0.019 0.000 2.504 229 F HA 0.229 4.756 4.527 0.000 0.000 0.369 229 F C -0.199 175.667 175.800 0.110 0.000 1.082 229 F CA -0.628 57.383 58.000 0.018 0.000 1.216 229 F CB -0.050 38.978 39.000 0.048 0.000 1.108 229 F HN 0.108 nan 8.300 nan 0.000 0.554 230 I N 8.816 129.202 120.570 -0.306 0.000 2.410 230 I HA 0.181 4.351 4.170 -0.000 0.000 0.286 230 I C -1.175 174.728 176.117 -0.356 0.000 1.009 230 I CA -0.788 60.352 61.300 -0.267 0.000 1.111 230 I CB 0.995 38.928 38.000 -0.113 0.000 1.262 230 I HN 0.512 nan 8.210 nan 0.000 0.443 231 Y N 3.452 123.456 120.300 -0.493 0.000 2.350 231 Y HA 0.709 5.259 4.550 -0.000 0.000 0.338 231 Y C -0.501 175.327 175.900 -0.120 0.000 0.961 231 Y CA -1.393 56.511 58.100 -0.328 0.000 1.100 231 Y CB 0.825 39.056 38.460 -0.381 0.000 1.179 231 Y HN 0.487 nan 8.280 nan 0.000 0.454 232 Q N 2.572 122.394 119.800 0.036 0.000 2.278 232 Q HA 0.219 4.559 4.340 -0.000 0.000 0.257 232 Q C -0.623 175.397 176.000 0.033 0.000 0.928 232 Q CA -0.761 55.033 55.803 -0.014 0.000 0.932 232 Q CB 2.131 30.857 28.738 -0.020 0.000 1.221 232 Q HN 0.718 nan 8.270 nan 0.000 0.434 233 E N 3.167 123.386 120.200 0.031 0.000 2.070 233 E HA 0.196 4.546 4.350 -0.000 0.000 0.282 233 E C -1.357 175.266 176.600 0.039 0.000 1.104 233 E CA -0.218 56.273 56.400 0.152 0.000 0.876 233 E CB 0.531 30.334 29.700 0.172 0.000 1.055 233 E HN 0.335 nan 8.360 nan 0.000 0.401 234 V N 7.132 127.093 119.914 0.078 0.000 2.482 234 V HA 0.291 4.411 4.120 -0.000 0.000 0.295 234 V C 0.074 176.181 176.094 0.022 0.000 1.026 234 V CA -0.672 61.569 62.300 -0.099 0.000 0.856 234 V CB 1.612 33.274 31.823 -0.269 0.000 1.001 234 V HN 0.626 nan 8.190 nan 0.000 0.424 235 I N 3.928 124.382 120.570 -0.193 0.000 2.278 235 I HA 0.269 4.439 4.170 -0.000 0.000 0.296 235 I C -0.312 175.730 176.117 -0.124 0.000 1.121 235 I CA 0.200 61.280 61.300 -0.367 0.000 1.267 235 I CB 0.521 38.130 38.000 -0.652 0.000 1.447 235 I HN 0.565 nan 8.210 nan 0.000 0.509 236 D N 7.567 127.978 120.400 0.019 0.000 2.477 236 D HA 0.284 4.924 4.640 -0.000 0.000 0.239 236 D C 0.134 176.474 176.300 0.066 0.000 1.102 236 D CA -0.266 53.757 54.000 0.038 0.000 0.901 236 D CB 0.842 41.683 40.800 0.069 0.000 1.026 236 D HN 0.401 nan 8.370 nan 0.000 0.515 237 L N 2.956 124.200 121.223 0.035 0.000 2.984 237 L HA 0.429 4.769 4.340 -0.000 0.000 0.246 237 L C 1.047 177.945 176.870 0.047 0.000 1.268 237 L CA -0.418 54.455 54.840 0.055 0.000 1.054 237 L CB -0.317 41.764 42.059 0.036 0.000 1.393 237 L HN 0.570 nan 8.230 nan 0.000 0.532 238 G N -0.094 108.733 108.800 0.045 0.000 2.870 238 G HA2 0.008 3.968 3.960 -0.000 0.000 0.685 238 G HA3 0.008 3.968 3.960 -0.000 0.000 0.685 238 G C 0.708 175.620 174.900 0.020 0.000 1.556 238 G CA -0.109 45.012 45.100 0.035 0.000 1.042 238 G HN 0.674 nan 8.290 nan 0.000 0.592 239 G N 0.140 108.950 108.800 0.016 0.000 2.238 239 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.217 239 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.217 239 G C 0.292 175.202 174.900 0.016 0.000 0.996 239 G CA 1.126 46.233 45.100 0.012 0.000 0.632 239 G HN 1.137 nan 8.290 nan 0.000 0.503 240 E N 0.818 121.030 120.200 0.021 0.000 2.227 240 E HA 0.475 4.825 4.350 -0.000 0.000 0.268 240 E C -1.074 175.539 176.600 0.022 0.000 0.990 240 E CA -1.487 54.932 56.400 0.031 0.000 0.856 240 E CB 1.868 31.596 29.700 0.047 0.000 1.159 240 E HN 0.092 nan 8.360 nan 0.000 0.401 241 P HA -0.064 nan 4.420 nan 0.000 0.220 241 P C 0.168 177.469 177.300 0.001 0.000 1.148 241 P CA 1.074 64.179 63.100 0.009 0.000 0.803 241 P CB 0.365 32.068 31.700 0.006 0.000 0.782 242 I N 0.595 121.163 120.570 -0.003 0.000 2.342 242 I HA 0.157 4.327 4.170 -0.000 0.000 0.291 242 I C 0.521 176.656 176.117 0.029 0.000 1.010 242 I CA -0.513 60.789 61.300 0.004 0.000 1.308 242 I CB 0.896 38.885 38.000 -0.018 0.000 1.400 242 I HN -0.228 nan 8.210 nan 0.000 0.488 243 K N 3.664 124.087 120.400 0.037 0.000 2.207 243 K HA 0.289 4.609 4.320 -0.000 0.000 0.255 243 K C 0.872 177.512 176.600 0.067 0.000 0.941 243 K CA -0.547 55.755 56.287 0.025 0.000 0.825 243 K CB 1.793 34.279 32.500 -0.023 0.000 1.119 243 K HN 0.647 nan 8.250 nan 0.000 0.430 244 S N -0.061 115.668 115.700 0.049 0.000 2.469 244 S HA -0.188 4.282 4.470 -0.000 0.000 0.238 244 S C 1.778 176.277 174.600 -0.168 0.000 0.998 244 S CA 1.365 59.615 58.200 0.083 0.000 0.957 244 S CB -0.423 62.853 63.200 0.127 0.000 0.764 244 S HN 0.662 nan 8.310 nan 0.000 0.514 245 S N 1.992 117.398 115.700 -0.489 0.000 2.447 245 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 245 S C 1.130 175.275 174.600 -0.758 0.000 1.006 245 S CA 0.931 58.349 58.200 -1.303 0.000 0.957 245 S CB -0.558 62.223 63.200 -0.698 0.000 0.773 245 S HN 0.432 nan 8.310 nan 0.000 0.507 246 D N 0.568 120.781 120.400 -0.310 0.000 2.350 246 D HA -0.014 4.626 4.640 -0.000 0.000 0.216 246 D C 0.527 176.618 176.300 -0.347 0.000 0.968 246 D CA 0.878 54.708 54.000 -0.283 0.000 0.894 246 D CB -0.271 40.348 40.800 -0.303 0.000 0.909 246 D HN 0.626 nan 8.370 nan 0.000 0.520 247 Y N -1.083 119.149 120.300 -0.113 0.000 2.458 247 Y HA 0.131 4.681 4.550 -0.000 0.000 0.256 247 Y C 1.413 177.463 175.900 0.251 0.000 1.159 247 Y CA -0.448 57.689 58.100 0.061 0.000 1.261 247 Y CB -0.026 38.480 38.460 0.077 0.000 1.119 247 Y HN -0.168 nan 8.280 nan 0.000 0.524 248 F N -0.105 119.972 119.950 0.212 0.000 2.307 248 F HA -0.078 4.449 4.527 0.000 0.000 0.301 248 F C 2.266 178.224 175.800 0.263 0.000 1.076 248 F CA 0.980 59.104 58.000 0.206 0.000 1.383 248 F CB -1.246 37.820 39.000 0.109 0.000 1.055 248 F HN 0.116 nan 8.300 nan 0.000 0.526 249 G N -0.670 108.349 108.800 0.365 0.000 2.598 249 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 249 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 249 G C 1.521 176.563 174.900 0.237 0.000 1.131 249 G CA 0.386 45.657 45.100 0.285 0.000 0.785 249 G HN 0.263 nan 8.290 nan 0.000 0.539 250 N N 0.251 119.085 118.700 0.223 0.000 2.368 250 N HA 0.240 4.980 4.740 -0.000 0.000 0.178 250 N C 1.083 176.605 175.510 0.019 0.000 1.076 250 N CA 0.985 54.100 53.050 0.109 0.000 0.889 250 N CB 1.287 39.853 38.487 0.132 0.000 1.040 250 N HN 0.430 nan 8.380 nan 0.000 0.463 251 G N -0.134 108.765 108.800 0.165 0.000 2.350 251 G HA2 0.084 4.044 3.960 -0.000 0.000 0.276 251 G HA3 0.084 4.044 3.960 -0.000 0.000 0.276 251 G C -1.243 173.876 174.900 0.365 0.000 1.313 251 G CA -0.917 44.219 45.100 0.060 0.000 0.903 251 G HN -0.052 nan 8.290 nan 0.000 0.490 252 R N -1.076 119.577 120.500 0.256 0.000 2.738 252 R HA 0.569 4.909 4.340 -0.000 0.000 0.275 252 R C 0.112 176.538 176.300 0.210 0.000 1.121 252 R CA 0.217 56.450 56.100 0.221 0.000 1.207 252 R CB 0.943 31.332 30.300 0.148 0.000 1.141 252 R HN 1.138 nan 8.270 nan 0.000 0.571 253 V N -2.878 117.165 119.914 0.214 0.000 2.925 253 V HA 0.389 4.509 4.120 -0.000 0.000 0.311 253 V C -0.045 176.171 176.094 0.203 0.000 1.104 253 V CA -1.162 61.272 62.300 0.225 0.000 0.954 253 V CB 1.808 33.808 31.823 0.295 0.000 1.022 253 V HN 0.909 nan 8.190 nan 0.000 0.427 254 T N -0.197 114.499 114.554 0.237 0.000 2.834 254 T HA 0.404 4.754 4.350 -0.000 0.000 0.298 254 T C -0.083 174.712 174.700 0.160 0.000 0.966 254 T CA 0.035 62.278 62.100 0.239 0.000 1.141 254 T CB 0.878 69.931 68.868 0.310 0.000 0.905 254 T HN 1.011 nan 8.240 nan 0.000 0.535 255 E N 2.562 122.739 120.200 -0.038 0.000 1.986 255 E HA 0.296 4.646 4.350 -0.000 0.000 0.264 255 E C -0.360 176.045 176.600 -0.324 0.000 1.023 255 E CA -1.138 55.198 56.400 -0.106 0.000 0.834 255 E CB -0.589 29.032 29.700 -0.132 0.000 1.111 255 E HN 0.667 nan 8.360 nan 0.000 0.417 256 F N 2.416 122.289 119.950 -0.129 0.000 2.502 256 F HA 0.012 4.539 4.527 0.000 0.000 0.298 256 F C 1.647 177.347 175.800 -0.167 0.000 1.111 256 F CA 0.772 58.690 58.000 -0.137 0.000 1.445 256 F CB 0.178 39.190 39.000 0.020 0.000 1.081 256 F HN 0.373 nan 8.300 nan 0.000 0.558 257 K N -1.191 119.173 120.400 -0.061 0.000 2.365 257 K HA -0.171 4.149 4.320 -0.000 0.000 0.199 257 K C 1.651 178.057 176.600 -0.323 0.000 1.045 257 K CA 0.720 56.955 56.287 -0.086 0.000 0.962 257 K CB -0.295 32.218 32.500 0.023 0.000 0.759 257 K HN 0.251 nan 8.250 nan 0.000 0.469 258 Y N 1.405 121.237 120.300 -0.780 0.000 2.070 258 Y HA -0.206 4.344 4.550 -0.000 0.000 0.279 258 Y C 2.436 178.203 175.900 -0.221 0.000 1.134 258 Y CA 2.042 59.696 58.100 -0.743 0.000 1.113 258 Y CB -0.712 37.309 38.460 -0.732 0.000 0.981 258 Y HN 0.036 nan 8.280 nan 0.000 0.487 259 G N -0.634 108.141 108.800 -0.042 0.000 2.408 259 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 259 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 259 G C 1.776 176.681 174.900 0.009 0.000 1.150 259 G CA 0.907 46.006 45.100 -0.002 0.000 0.776 259 G HN 0.622 nan 8.290 nan 0.000 0.542 260 A N 0.797 123.637 122.820 0.033 0.000 1.858 260 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 260 A C 2.395 180.027 177.584 0.080 0.000 1.190 260 A CA 1.966 54.047 52.037 0.074 0.000 0.617 260 A CB -0.292 18.775 19.000 0.112 0.000 0.827 260 A HN 0.192 nan 8.150 nan 0.000 0.443 261 K N -0.728 119.761 120.400 0.147 0.000 2.057 261 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 261 K C 1.860 178.502 176.600 0.070 0.000 1.050 261 K CA 1.021 57.455 56.287 0.246 0.000 0.935 261 K CB -0.878 31.943 32.500 0.534 0.000 0.715 261 K HN 0.415 nan 8.250 nan 0.000 0.439 262 L N 0.749 121.940 121.223 -0.052 0.000 2.131 262 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 262 L C 2.003 178.678 176.870 -0.325 0.000 1.092 262 L CA 1.902 56.492 54.840 -0.416 0.000 0.759 262 L CB -0.914 40.855 42.059 -0.484 0.000 0.903 262 L HN 0.228 nan 8.230 nan 0.000 0.435 263 G N -1.672 107.012 108.800 -0.193 0.000 2.421 263 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.216 263 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.216 263 G C 1.561 176.255 174.900 -0.343 0.000 1.171 263 G CA 1.317 46.277 45.100 -0.234 0.000 0.775 263 G HN 0.495 nan 8.290 nan 0.000 0.543 264 T N -0.792 113.627 114.554 -0.224 0.000 2.821 264 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 264 T C 2.307 176.907 174.700 -0.168 0.000 1.046 264 T CA 1.557 63.545 62.100 -0.187 0.000 1.139 264 T CB -0.417 68.503 68.868 0.086 0.000 0.871 264 T HN 0.015 nan 8.240 nan 0.000 0.454 265 V N 1.479 121.295 119.914 -0.163 0.000 2.307 265 V HA -0.025 4.095 4.120 -0.000 0.000 0.245 265 V C 2.737 178.654 176.094 -0.295 0.000 1.045 265 V CA 1.637 63.821 62.300 -0.194 0.000 1.024 265 V CB -0.587 31.058 31.823 -0.296 0.000 0.651 265 V HN 0.502 nan 8.190 nan 0.000 0.449 266 I N -0.554 119.789 120.570 -0.379 0.000 2.546 266 I HA -0.157 4.013 4.170 -0.000 0.000 0.255 266 I C 2.519 178.452 176.117 -0.307 0.000 1.163 266 I CA 1.236 62.315 61.300 -0.368 0.000 1.457 266 I CB -0.282 37.484 38.000 -0.390 0.000 1.092 266 I HN 0.214 nan 8.210 nan 0.000 0.434 267 R N 0.955 121.222 120.500 -0.387 0.000 2.299 267 R HA 0.039 4.379 4.340 -0.000 0.000 0.197 267 R C 0.255 176.424 176.300 -0.218 0.000 0.971 267 R CA 0.114 55.947 56.100 -0.445 0.000 1.030 267 R CB 0.102 29.752 30.300 -1.083 0.000 0.932 267 R HN 0.162 nan 8.270 nan 0.000 0.477 268 K N -0.404 119.905 120.400 -0.152 0.000 3.117 268 K HA -0.162 4.157 4.320 -0.000 0.000 0.269 268 K C -1.036 175.691 176.600 0.212 0.000 1.098 268 K CA 0.368 56.654 56.287 -0.002 0.000 0.785 268 K CB -1.046 31.446 32.500 -0.013 0.000 1.242 268 K HN 0.141 nan 8.250 nan 0.000 0.491 269 W N 2.341 123.626 121.300 -0.023 0.000 2.202 269 W HA 0.101 4.761 4.660 0.001 0.000 0.332 269 W C 0.945 177.470 176.519 0.010 0.000 1.263 269 W CA -0.245 57.096 57.345 -0.006 0.000 1.223 269 W CB -0.299 29.160 29.460 -0.001 0.000 1.128 269 W HN 0.424 nan 8.180 nan 0.000 0.573 270 N N 0.292 119.107 118.700 0.190 0.000 2.691 270 N HA -0.187 4.553 4.740 -0.000 0.000 0.277 270 N C 0.719 176.298 175.510 0.115 0.000 1.029 270 N CA 1.478 54.591 53.050 0.105 0.000 0.798 270 N CB -1.227 37.304 38.487 0.074 0.000 0.922 270 N HN 1.006 nan 8.380 nan 0.000 0.562 271 G N -1.587 107.277 108.800 0.106 0.000 2.304 271 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.252 271 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.252 271 G C 0.021 174.997 174.900 0.126 0.000 1.014 271 G CA 0.380 45.547 45.100 0.112 0.000 0.619 271 G HN 0.694 nan 8.290 nan 0.000 0.525 272 E N 1.536 121.822 120.200 0.143 0.000 2.467 272 E HA 0.355 4.705 4.350 -0.000 0.000 0.264 272 E C 0.686 177.237 176.600 -0.081 0.000 1.020 272 E CA 1.099 57.574 56.400 0.124 0.000 0.945 272 E CB 0.593 30.375 29.700 0.137 0.000 0.942 272 E HN 0.854 nan 8.360 nan 0.000 0.449 273 K N 0.837 121.074 120.400 -0.272 0.000 2.546 273 K HA 0.321 4.641 4.320 -0.000 0.000 0.264 273 K C 0.563 176.949 176.600 -0.357 0.000 0.937 273 K CA -0.777 55.281 56.287 -0.382 0.000 0.833 273 K CB 0.880 33.078 32.500 -0.504 0.000 1.378 273 K HN 0.178 nan 8.250 nan 0.000 0.432 274 M N 1.178 120.593 119.600 -0.308 0.000 2.267 274 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 274 M C 1.828 178.090 176.300 -0.065 0.000 1.063 274 M CA 2.247 57.377 55.300 -0.284 0.000 1.090 274 M CB -0.419 31.970 32.600 -0.351 0.000 1.392 274 M HN 0.877 nan 8.290 nan 0.000 0.422 275 S N -0.226 115.431 115.700 -0.071 0.000 2.440 275 S HA -0.170 4.300 4.470 -0.000 0.000 0.238 275 S C 1.470 176.275 174.600 0.342 0.000 1.010 275 S CA 0.937 59.240 58.200 0.171 0.000 0.972 275 S CB -0.752 62.470 63.200 0.036 0.000 0.774 275 S HN 0.452 nan 8.310 nan 0.000 0.501 276 Y N 1.562 121.958 120.300 0.158 0.000 2.571 276 Y HA 0.329 4.879 4.550 -0.000 0.000 0.294 276 Y C 1.704 177.782 175.900 0.297 0.000 1.141 276 Y CA -0.797 57.425 58.100 0.204 0.000 1.308 276 Y CB -0.800 37.802 38.460 0.237 0.000 1.002 276 Y HN 0.301 nan 8.280 nan 0.000 0.551 277 L N -0.162 121.205 121.223 0.240 0.000 2.610 277 L HA -0.055 4.284 4.340 -0.000 0.000 0.232 277 L C 2.299 179.046 176.870 -0.205 0.000 1.149 277 L CA 0.457 55.272 54.840 -0.041 0.000 0.872 277 L CB -0.294 41.522 42.059 -0.406 0.000 0.992 277 L HN 0.088 nan 8.230 nan 0.000 0.447 278 K N 1.757 121.850 120.400 -0.511 0.000 2.103 278 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 278 K C 1.171 177.499 176.600 -0.453 0.000 1.048 278 K CA 1.638 57.239 56.287 -1.145 0.000 0.930 278 K CB 0.075 31.935 32.500 -1.067 0.000 0.716 278 K HN 0.422 nan 8.250 nan 0.000 0.444 279 N N -0.248 118.376 118.700 -0.126 0.000 2.380 279 N HA -0.083 4.657 4.740 -0.000 0.000 0.255 279 N C -0.689 174.870 175.510 0.083 0.000 1.158 279 N CA -0.514 52.521 53.050 -0.025 0.000 0.878 279 N CB -0.512 37.978 38.487 0.005 0.000 1.138 279 N HN 0.236 nan 8.380 nan 0.000 0.509 280 W N 1.459 122.540 121.300 -0.365 0.000 2.264 280 W HA 0.375 5.035 4.660 -0.000 0.000 0.331 280 W C 0.225 176.389 176.519 -0.592 0.000 1.364 280 W CA 1.656 58.511 57.345 -0.815 0.000 1.253 280 W CB 0.504 29.438 29.460 -0.877 0.000 1.215 280 W HN 0.414 nan 8.180 nan 0.000 0.561 281 G N 4.171 112.290 108.800 -1.134 0.000 2.240 281 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.199 281 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.199 281 G C 0.153 174.677 174.900 -0.626 0.000 1.342 281 G CA -0.051 44.550 45.100 -0.832 0.000 1.145 281 G HN 0.402 nan 8.290 nan 0.000 0.477 282 E N 0.582 120.678 120.200 -0.174 0.000 2.160 282 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 282 E C 2.475 178.970 176.600 -0.175 0.000 0.991 282 E CA 1.702 58.056 56.400 -0.078 0.000 0.810 282 E CB -0.511 29.215 29.700 0.043 0.000 0.742 282 E HN 0.755 nan 8.360 nan 0.000 0.466 283 G N -0.272 108.431 108.800 -0.161 0.000 2.499 283 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.221 283 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.221 283 G C 0.505 175.276 174.900 -0.215 0.000 1.109 283 G CA 0.526 45.548 45.100 -0.129 0.000 0.749 283 G HN 0.272 nan 8.290 nan 0.000 0.568 284 W N -0.083 120.781 121.300 -0.726 0.000 3.316 284 W HA 0.448 5.108 4.660 -0.000 0.000 0.327 284 W C 1.622 177.676 176.519 -0.775 0.000 1.232 284 W CA -0.305 56.507 57.345 -0.888 0.000 1.805 284 W CB -0.002 28.552 29.460 -1.510 0.000 1.090 284 W HN 0.315 nan 8.180 nan 0.000 0.654 285 G N -0.576 108.017 108.800 -0.345 0.000 2.132 285 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.234 285 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.234 285 G C -0.027 174.926 174.900 0.088 0.000 0.989 285 G CA -0.549 44.481 45.100 -0.117 0.000 0.676 285 G HN -0.013 nan 8.290 nan 0.000 0.522 286 F N 0.285 120.188 119.950 -0.079 0.000 2.378 286 F HA 0.618 5.145 4.527 -0.000 0.000 0.319 286 F C 1.441 177.304 175.800 0.104 0.000 1.155 286 F CA -1.351 56.621 58.000 -0.046 0.000 1.157 286 F CB 0.370 39.201 39.000 -0.282 0.000 1.252 286 F HN 0.338 nan 8.300 nan 0.000 0.550 287 V N -0.448 119.710 119.914 0.406 0.000 3.237 287 V HA 0.274 4.394 4.120 -0.000 0.000 0.305 287 V C -2.499 173.760 176.094 0.275 0.000 1.096 287 V CA -1.828 60.690 62.300 0.363 0.000 1.130 287 V CB -0.429 31.641 31.823 0.412 0.000 1.048 287 V HN 0.520 nan 8.190 nan 0.000 0.484 288 P HA 0.068 nan 4.420 nan 0.000 0.265 288 P C 0.995 178.216 177.300 -0.132 0.000 1.193 288 P CA 0.714 63.802 63.100 -0.019 0.000 0.765 288 P CB 0.755 32.358 31.700 -0.162 0.000 0.823 289 S N 2.904 118.497 115.700 -0.179 0.000 2.380 289 S HA -0.221 4.249 4.470 -0.000 0.000 0.229 289 S C 1.358 175.732 174.600 -0.377 0.000 1.043 289 S CA 2.072 59.950 58.200 -0.536 0.000 1.038 289 S CB -0.921 62.047 63.200 -0.387 0.000 0.872 289 S HN 0.653 nan 8.310 nan 0.000 0.456 290 D N -0.341 119.902 120.400 -0.262 0.000 2.371 290 D HA -0.050 4.590 4.640 -0.000 0.000 0.234 290 D C 1.208 177.359 176.300 -0.247 0.000 1.049 290 D CA 0.342 54.208 54.000 -0.224 0.000 0.907 290 D CB -0.256 40.417 40.800 -0.212 0.000 0.891 290 D HN 0.300 nan 8.370 nan 0.000 0.531 291 R N -0.296 120.027 120.500 -0.294 0.000 2.572 291 R HA 0.432 4.772 4.340 -0.000 0.000 0.370 291 R C -0.173 176.061 176.300 -0.110 0.000 1.005 291 R CA -0.218 55.716 56.100 -0.276 0.000 1.146 291 R CB 0.950 30.805 30.300 -0.740 0.000 1.390 291 R HN 0.167 nan 8.270 nan 0.000 0.553 292 A N 1.603 124.344 122.820 -0.131 0.000 2.304 292 A HA 0.558 4.878 4.320 -0.000 0.000 0.323 292 A C -0.669 176.895 177.584 -0.033 0.000 1.195 292 A CA -0.496 51.493 52.037 -0.080 0.000 0.826 292 A CB 1.073 19.956 19.000 -0.194 0.000 1.184 292 A HN 0.121 nan 8.150 nan 0.000 0.496 293 L N 5.206 126.442 121.223 0.022 0.000 2.316 293 L HA 0.657 4.997 4.340 -0.000 0.000 0.280 293 L C -0.473 176.396 176.870 -0.002 0.000 1.006 293 L CA -0.353 54.514 54.840 0.046 0.000 0.836 293 L CB 0.868 42.941 42.059 0.022 0.000 1.221 293 L HN 0.675 nan 8.230 nan 0.000 0.418 294 V N 3.050 122.884 119.914 -0.133 0.000 2.994 294 V HA 0.840 4.960 4.120 -0.000 0.000 0.318 294 V C -0.642 175.336 176.094 -0.192 0.000 1.085 294 V CA -0.629 61.407 62.300 -0.440 0.000 0.998 294 V CB 1.846 33.094 31.823 -0.957 0.000 1.063 294 V HN 0.746 nan 8.190 nan 0.000 0.447 295 F N -1.120 118.605 119.950 -0.375 0.000 2.770 295 F HA 0.742 5.269 4.527 -0.000 0.000 0.313 295 F C 0.002 175.783 175.800 -0.032 0.000 1.154 295 F CA -0.877 57.013 58.000 -0.184 0.000 0.923 295 F CB 0.653 39.563 39.000 -0.149 0.000 1.301 295 F HN 0.237 nan 8.300 nan 0.000 0.449 296 V N 0.034 120.065 119.914 0.194 0.000 2.379 296 V HA 0.057 4.177 4.120 -0.000 0.000 0.243 296 V C 0.121 176.380 176.094 0.275 0.000 1.035 296 V CA 1.972 64.382 62.300 0.184 0.000 1.035 296 V CB -0.489 31.419 31.823 0.141 0.000 0.673 296 V HN 0.918 nan 8.190 nan 0.000 0.457 297 D N -0.451 120.192 120.400 0.406 0.000 2.570 297 D HA 0.289 4.929 4.640 -0.000 0.000 0.244 297 D C -1.122 175.363 176.300 0.308 0.000 1.178 297 D CA -0.603 53.616 54.000 0.364 0.000 0.881 297 D CB 1.907 42.870 40.800 0.272 0.000 1.453 297 D HN 0.279 nan 8.370 nan 0.000 0.447 298 N N -1.595 117.190 118.700 0.141 0.000 2.629 298 N HA 0.093 4.833 4.740 -0.000 0.000 0.279 298 N C 1.219 176.618 175.510 -0.185 0.000 1.344 298 N CA -0.476 52.519 53.050 -0.093 0.000 0.789 298 N CB 0.577 38.866 38.487 -0.329 0.000 1.508 298 N HN 0.598 nan 8.380 nan 0.000 0.516 299 H N -0.770 118.092 119.070 -0.347 0.000 2.426 299 H HA -0.094 4.462 4.556 -0.000 0.000 0.298 299 H C -0.097 174.866 175.328 -0.609 0.000 1.107 299 H CA 1.562 57.156 56.048 -0.757 0.000 1.298 299 H CB -0.190 28.765 29.762 -1.345 0.000 1.377 299 H HN 0.507 nan 8.280 nan 0.000 0.519 300 D N 1.491 121.344 120.400 -0.912 0.000 2.084 300 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 300 D C 1.937 178.193 176.300 -0.074 0.000 0.981 300 D CA 1.602 55.334 54.000 -0.448 0.000 0.841 300 D CB -0.363 40.244 40.800 -0.322 0.000 0.997 300 D HN 0.623 nan 8.370 nan 0.000 0.454 301 N N 0.884 119.587 118.700 0.006 0.000 2.521 301 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 301 N C 1.318 176.904 175.510 0.127 0.000 1.146 301 N CA 0.502 53.624 53.050 0.119 0.000 0.893 301 N CB -0.641 37.965 38.487 0.198 0.000 0.975 301 N HN 0.367 nan 8.380 nan 0.000 0.451 302 Q N 0.453 120.301 119.800 0.080 0.000 2.451 302 Q HA 0.004 4.344 4.340 -0.000 0.000 0.206 302 Q C 0.240 176.413 176.000 0.287 0.000 0.947 302 Q CA 0.278 56.180 55.803 0.166 0.000 0.937 302 Q CB -0.041 28.782 28.738 0.142 0.000 1.025 302 Q HN 0.545 nan 8.270 nan 0.000 0.511 303 R N -0.469 120.136 120.500 0.176 0.000 2.795 303 R HA 0.432 4.772 4.340 -0.000 0.000 0.320 303 R C 0.113 176.535 176.300 0.203 0.000 1.223 303 R CA -0.207 56.030 56.100 0.227 0.000 1.305 303 R CB 0.056 30.316 30.300 -0.067 0.000 1.318 303 R HN 0.141 nan 8.270 nan 0.000 0.636 304 G N 1.203 110.106 108.800 0.172 0.000 2.421 304 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.300 304 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.300 304 G C 0.073 174.939 174.900 -0.057 0.000 0.974 304 G CA 0.834 45.984 45.100 0.084 0.000 1.062 304 G HN 0.702 nan 8.290 nan 0.000 0.514 305 H N -0.742 118.379 119.070 0.085 0.000 2.269 305 H HA 0.213 4.769 4.556 0.000 0.000 0.216 305 H C 2.353 177.694 175.328 0.021 0.000 0.985 305 H CA 0.728 56.819 56.048 0.071 0.000 1.274 305 H CB -0.255 29.579 29.762 0.119 0.000 1.283 305 H HN 0.423 nan 8.280 nan 0.000 0.491 306 G N 1.026 109.917 108.800 0.152 0.000 2.326 306 G HA2 0.248 4.208 3.960 -0.000 0.000 0.232 306 G HA3 0.248 4.208 3.960 -0.000 0.000 0.232 306 G C -0.083 174.829 174.900 0.020 0.000 1.559 306 G CA 0.571 45.698 45.100 0.046 0.000 1.031 306 G HN 0.490 nan 8.290 nan 0.000 0.498 307 A N -2.993 119.848 122.820 0.035 0.000 2.337 307 A HA 0.703 5.023 4.320 -0.000 0.000 0.331 307 A C 0.805 178.507 177.584 0.196 0.000 1.137 307 A CA 0.565 52.635 52.037 0.055 0.000 0.807 307 A CB 1.277 20.225 19.000 -0.087 0.000 1.250 307 A HN 2.276 nan 8.150 nan 0.000 0.468 308 G N -0.266 108.618 108.800 0.141 0.000 2.617 308 G HA2 0.351 4.311 3.960 -0.000 0.000 0.197 308 G HA3 0.351 4.311 3.960 -0.000 0.000 0.197 308 G C 1.674 176.651 174.900 0.129 0.000 1.017 308 G CA 0.888 46.075 45.100 0.145 0.000 0.713 308 G HN 2.847 nan 8.290 nan 0.000 0.481 309 G N 0.461 109.333 108.800 0.120 0.000 2.550 309 G HA2 0.142 4.102 3.960 -0.000 0.000 0.277 309 G HA3 0.142 4.102 3.960 -0.000 0.000 0.277 309 G C 1.375 176.367 174.900 0.154 0.000 1.190 309 G CA 2.368 47.542 45.100 0.123 0.000 0.971 309 G HN 1.962 nan 8.290 nan 0.000 0.559 310 A N -0.117 122.826 122.820 0.205 0.000 2.208 310 A HA 0.431 4.751 4.320 -0.000 0.000 0.209 310 A C 2.505 180.263 177.584 0.290 0.000 1.161 310 A CA 2.396 54.599 52.037 0.276 0.000 0.782 310 A CB -0.523 18.666 19.000 0.315 0.000 0.816 310 A HN 2.060 nan 8.150 nan 0.000 0.477 311 S N -0.391 115.412 115.700 0.172 0.000 2.478 311 S HA 0.142 4.612 4.470 -0.000 0.000 0.222 311 S C 0.741 175.243 174.600 -0.163 0.000 1.008 311 S CA -0.266 57.820 58.200 -0.190 0.000 0.928 311 S CB -0.366 62.784 63.200 -0.084 0.000 0.781 311 S HN 0.245 nan 8.310 nan 0.000 0.518 312 I N 2.828 123.397 120.570 -0.001 0.000 2.845 312 I HA 0.098 4.268 4.170 -0.000 0.000 0.296 312 I C 0.282 176.417 176.117 0.029 0.000 1.216 312 I CA 0.053 61.378 61.300 0.041 0.000 1.438 312 I CB -0.435 37.634 38.000 0.115 0.000 1.342 312 I HN 0.326 nan 8.210 nan 0.000 0.577 313 L N 6.430 127.695 121.223 0.071 0.000 2.322 313 L HA 0.519 4.859 4.340 -0.000 0.000 0.279 313 L C 0.532 177.489 176.870 0.145 0.000 1.036 313 L CA -0.281 54.630 54.840 0.118 0.000 0.807 313 L CB 1.829 43.995 42.059 0.178 0.000 1.226 313 L HN 0.807 nan 8.230 nan 0.000 0.433 314 T N -2.133 112.362 114.554 -0.099 0.000 2.804 314 T HA 0.338 4.688 4.350 -0.000 0.000 0.290 314 T C 0.817 174.979 174.700 -0.896 0.000 1.099 314 T CA -0.600 61.177 62.100 -0.539 0.000 1.011 314 T CB 0.706 69.435 68.868 -0.231 0.000 1.291 314 T HN 0.417 nan 8.240 nan 0.000 0.523 315 F N -0.993 118.408 119.950 -0.915 0.000 2.250 315 F HA 0.111 4.638 4.527 0.000 0.000 0.301 315 F C 1.788 177.508 175.800 -0.133 0.000 1.077 315 F CA 0.233 57.943 58.000 -0.483 0.000 1.348 315 F CB -1.205 37.569 39.000 -0.377 0.000 1.040 315 F HN 0.572 nan 8.300 nan 0.000 0.509 316 W N 1.615 122.428 121.300 -0.812 0.000 2.350 316 W HA -0.153 4.507 4.660 0.001 0.000 0.289 316 W C 0.955 177.383 176.519 -0.153 0.000 1.215 316 W CA 1.129 58.187 57.345 -0.478 0.000 1.236 316 W CB -0.328 28.794 29.460 -0.563 0.000 1.130 316 W HN 0.004 nan 8.180 nan 0.000 0.541 317 D N 0.146 120.603 120.400 0.096 0.000 3.072 317 D HA 0.238 4.878 4.640 -0.000 0.000 0.250 317 D C 1.558 177.984 176.300 0.209 0.000 1.304 317 D CA 0.420 54.495 54.000 0.124 0.000 0.861 317 D CB 0.028 40.879 40.800 0.085 0.000 1.062 317 D HN 0.050 nan 8.370 nan 0.000 0.481 318 A N 1.438 124.411 122.820 0.255 0.000 1.916 318 A HA -0.360 3.959 4.320 -0.000 0.000 0.224 318 A C 2.198 179.982 177.584 0.333 0.000 1.366 318 A CA 2.027 54.283 52.037 0.366 0.000 0.692 318 A CB -0.513 18.600 19.000 0.188 0.000 0.841 318 A HN 0.333 nan 8.150 nan 0.000 0.480 319 R N -0.618 120.001 120.500 0.198 0.000 2.080 319 R HA -0.055 4.285 4.340 -0.000 0.000 0.236 319 R C 2.110 178.507 176.300 0.162 0.000 1.137 319 R CA 1.841 58.042 56.100 0.169 0.000 0.943 319 R CB -0.384 29.979 30.300 0.106 0.000 0.846 319 R HN 0.578 nan 8.270 nan 0.000 0.431 320 L N -0.669 120.627 121.223 0.122 0.000 2.217 320 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 320 L C 2.159 179.081 176.870 0.087 0.000 1.107 320 L CA 0.656 55.525 54.840 0.047 0.000 0.783 320 L CB -0.493 41.560 42.059 -0.009 0.000 0.919 320 L HN 0.283 nan 8.230 nan 0.000 0.442 321 Y N 1.532 121.874 120.300 0.069 0.000 2.163 321 Y HA -0.224 4.326 4.550 0.000 0.000 0.288 321 Y C 2.512 178.485 175.900 0.122 0.000 1.136 321 Y CA 1.487 59.646 58.100 0.097 0.000 1.147 321 Y CB -0.096 38.474 38.460 0.183 0.000 0.987 321 Y HN -0.015 nan 8.280 nan 0.000 0.509 322 K N -0.539 119.981 120.400 0.200 0.000 2.147 322 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 322 K C 2.254 178.846 176.600 -0.013 0.000 1.049 322 K CA 1.724 58.120 56.287 0.182 0.000 0.936 322 K CB -0.237 32.522 32.500 0.432 0.000 0.722 322 K HN 0.392 nan 8.250 nan 0.000 0.446 323 M N 0.151 119.657 119.600 -0.156 0.000 2.132 323 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 323 M C 2.182 178.242 176.300 -0.400 0.000 1.065 323 M CA 1.368 56.346 55.300 -0.537 0.000 1.122 323 M CB -0.027 32.356 32.600 -0.363 0.000 1.365 323 M HN 0.218 nan 8.290 nan 0.000 0.411 324 A N -0.743 121.901 122.820 -0.293 0.000 1.898 324 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 324 A C 1.991 179.478 177.584 -0.162 0.000 1.181 324 A CA 1.438 53.317 52.037 -0.262 0.000 0.620 324 A CB -0.904 17.964 19.000 -0.220 0.000 0.819 324 A HN 0.346 nan 8.150 nan 0.000 0.442 325 V N 0.010 119.781 119.914 -0.238 0.000 2.427 325 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 325 V C 2.769 178.829 176.094 -0.057 0.000 1.051 325 V CA 1.803 63.997 62.300 -0.177 0.000 1.048 325 V CB -1.396 30.246 31.823 -0.301 0.000 0.666 325 V HN 0.602 nan 8.190 nan 0.000 0.456 326 G N -0.761 108.005 108.800 -0.057 0.000 2.421 326 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.216 326 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.216 326 G C 1.567 176.521 174.900 0.089 0.000 1.171 326 G CA 0.974 46.089 45.100 0.024 0.000 0.775 326 G HN 0.480 nan 8.290 nan 0.000 0.543 327 F N 0.944 120.859 119.950 -0.058 0.000 2.102 327 F HA -0.017 4.510 4.527 0.000 0.000 0.298 327 F C 2.646 178.497 175.800 0.084 0.000 1.105 327 F CA 2.076 60.061 58.000 -0.026 0.000 1.239 327 F CB -0.108 38.593 39.000 -0.498 0.000 0.991 327 F HN 0.161 nan 8.300 nan 0.000 0.474 328 M N -0.010 119.699 119.600 0.180 0.000 2.080 328 M HA -0.229 4.251 4.480 -0.000 0.000 0.260 328 M C 1.945 178.311 176.300 0.110 0.000 1.068 328 M CA 1.954 57.392 55.300 0.230 0.000 1.109 328 M CB -0.453 32.284 32.600 0.228 0.000 1.342 328 M HN 0.294 nan 8.290 nan 0.000 0.405 329 L N -0.087 121.160 121.223 0.040 0.000 2.275 329 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 329 L C 2.585 179.499 176.870 0.073 0.000 1.119 329 L CA 0.773 55.624 54.840 0.019 0.000 0.790 329 L CB -0.755 41.293 42.059 -0.018 0.000 0.919 329 L HN 0.434 nan 8.230 nan 0.000 0.443 330 A N -1.937 120.906 122.820 0.039 0.000 1.984 330 A HA -0.077 4.243 4.320 -0.000 0.000 0.214 330 A C 1.225 179.033 177.584 0.374 0.000 1.173 330 A CA 0.226 52.353 52.037 0.151 0.000 0.673 330 A CB -0.344 18.596 19.000 -0.099 0.000 0.830 330 A HN 0.300 nan 8.150 nan 0.000 0.453 331 H N 1.052 120.180 119.070 0.096 0.000 2.683 331 H HA 0.158 4.714 4.556 0.000 0.000 0.339 331 H C -1.665 173.718 175.328 0.092 0.000 1.081 331 H CA -1.313 54.732 56.048 -0.006 0.000 1.432 331 H CB 1.418 30.979 29.762 -0.335 0.000 1.462 331 H HN 0.101 nan 8.280 nan 0.000 0.557 332 P HA -0.163 nan 4.420 nan 0.000 0.225 332 P C 0.251 177.626 177.300 0.125 0.000 1.148 332 P CA 0.695 63.769 63.100 -0.043 0.000 0.779 332 P CB -0.161 31.456 31.700 -0.139 0.000 0.780 333 Y N 2.181 122.663 120.300 0.303 0.000 2.526 333 Y HA 0.336 4.886 4.550 -0.000 0.000 0.330 333 Y C 1.305 177.268 175.900 0.104 0.000 1.156 333 Y CA 1.202 59.441 58.100 0.232 0.000 1.419 333 Y CB -0.244 38.395 38.460 0.299 0.000 1.250 333 Y HN 0.289 nan 8.280 nan 0.000 0.540 334 G N 4.600 113.033 108.800 -0.613 0.000 2.806 334 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.236 334 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.236 334 G C -1.250 173.575 174.900 -0.125 0.000 1.387 334 G CA -0.171 44.658 45.100 -0.451 0.000 0.884 334 G HN 0.915 nan 8.290 nan 0.000 0.560 335 F N 1.917 121.738 119.950 -0.215 0.000 2.415 335 F HA 0.633 5.160 4.527 -0.000 0.000 0.348 335 F C 1.170 176.873 175.800 -0.161 0.000 1.119 335 F CA 0.013 57.914 58.000 -0.166 0.000 1.069 335 F CB 1.434 40.344 39.000 -0.150 0.000 1.124 335 F HN 0.825 nan 8.300 nan 0.000 0.472 336 T N 4.139 118.279 114.554 -0.690 0.000 2.845 336 T HA 0.440 4.790 4.350 -0.000 0.000 0.288 336 T C -0.354 174.079 174.700 -0.446 0.000 0.980 336 T CA -0.889 60.931 62.100 -0.466 0.000 1.071 336 T CB 1.403 70.070 68.868 -0.334 0.000 0.941 336 T HN 0.792 nan 8.240 nan 0.000 0.487 337 R N 2.188 122.577 120.500 -0.184 0.000 2.437 337 R HA 0.612 4.952 4.340 -0.000 0.000 0.310 337 R C -1.462 174.837 176.300 -0.001 0.000 0.955 337 R CA -0.727 55.318 56.100 -0.092 0.000 0.851 337 R CB 1.465 31.727 30.300 -0.063 0.000 1.161 337 R HN 0.605 nan 8.270 nan 0.000 0.446 338 V N 5.422 125.352 119.914 0.026 0.000 2.472 338 V HA 0.347 4.467 4.120 -0.000 0.000 0.290 338 V C 0.107 176.258 176.094 0.095 0.000 1.037 338 V CA -0.704 61.643 62.300 0.079 0.000 0.908 338 V CB 1.556 33.464 31.823 0.141 0.000 0.985 338 V HN 0.797 nan 8.190 nan 0.000 0.454 339 M N 4.016 123.687 119.600 0.118 0.000 2.318 339 M HA 0.556 5.036 4.480 -0.000 0.000 0.347 339 M C -0.248 176.082 176.300 0.050 0.000 1.175 339 M CA 0.552 55.914 55.300 0.105 0.000 1.075 339 M CB 1.648 34.339 32.600 0.151 0.000 1.614 339 M HN 0.608 nan 8.290 nan 0.000 0.456 340 S N 2.535 118.228 115.700 -0.011 0.000 2.733 340 S HA 0.798 5.268 4.470 -0.000 0.000 0.294 340 S C -1.230 173.430 174.600 0.100 0.000 1.149 340 S CA -0.626 57.581 58.200 0.012 0.000 1.034 340 S CB 0.582 63.710 63.200 -0.120 0.000 1.015 340 S HN 0.854 nan 8.310 nan 0.000 0.486 341 S N 3.154 118.894 115.700 0.067 0.000 2.798 341 S HA 0.825 5.295 4.470 -0.000 0.000 0.312 341 S C -1.209 173.467 174.600 0.127 0.000 1.122 341 S CA -0.807 57.442 58.200 0.081 0.000 0.949 341 S CB 0.599 63.748 63.200 -0.086 0.000 1.235 341 S HN 0.796 nan 8.310 nan 0.000 0.552 342 Y N -0.994 119.359 120.300 0.088 0.000 2.570 342 Y HA 0.781 5.331 4.550 -0.000 0.000 0.345 342 Y C -0.434 175.442 175.900 -0.041 0.000 1.014 342 Y CA -1.480 56.559 58.100 -0.100 0.000 1.063 342 Y CB 0.769 39.040 38.460 -0.316 0.000 1.272 342 Y HN 0.451 nan 8.280 nan 0.000 0.477 343 R N 1.367 121.927 120.500 0.100 0.000 2.459 343 R HA 0.463 4.803 4.340 -0.000 0.000 0.281 343 R C -1.538 175.061 176.300 0.500 0.000 1.050 343 R CA -0.402 55.790 56.100 0.153 0.000 1.055 343 R CB 0.930 31.227 30.300 -0.005 0.000 1.045 343 R HN 0.947 nan 8.270 nan 0.000 0.495 344 W N 1.657 123.211 121.300 0.424 0.000 3.033 344 W HA 0.460 5.119 4.660 -0.001 0.000 0.336 344 W C -2.577 174.113 176.519 0.285 0.000 1.173 344 W CA -2.672 54.850 57.345 0.296 0.000 1.185 344 W CB 0.493 30.119 29.460 0.276 0.000 1.425 344 W HN 0.329 nan 8.180 nan 0.000 0.536 345 P HA 0.081 nan 4.420 nan 0.000 0.259 345 P C -0.167 177.120 177.300 -0.022 0.000 1.635 345 P CA 0.096 63.228 63.100 0.054 0.000 1.199 345 P CB 0.204 31.952 31.700 0.079 0.000 1.850 346 R N 2.168 122.475 120.500 -0.321 0.000 2.538 346 R HA 0.018 4.358 4.340 -0.000 0.000 0.282 346 R C 0.604 176.769 176.300 -0.226 0.000 1.009 346 R CA 0.590 56.476 56.100 -0.356 0.000 1.063 346 R CB 0.307 30.146 30.300 -0.767 0.000 0.945 346 R HN 0.504 nan 8.270 nan 0.000 0.414 347 Q N 3.900 123.582 119.800 -0.197 0.000 2.771 347 Q HA 0.184 4.524 4.340 -0.000 0.000 0.247 347 Q C -1.408 174.525 176.000 -0.113 0.000 0.986 347 Q CA -0.426 55.327 55.803 -0.085 0.000 0.713 347 Q CB 0.530 29.273 28.738 0.009 0.000 1.241 347 Q HN 0.413 nan 8.270 nan 0.000 0.488 348 F N 2.410 122.348 119.950 -0.020 0.000 2.494 348 F HA 0.167 4.694 4.527 -0.001 0.000 0.369 348 F C 0.447 176.252 175.800 0.008 0.000 1.098 348 F CA 0.473 58.468 58.000 -0.009 0.000 1.154 348 F CB 0.741 39.712 39.000 -0.048 0.000 1.103 348 F HN 0.364 nan 8.300 nan 0.000 0.549 349 Q N 3.095 123.004 119.800 0.181 0.000 2.327 349 Q HA 0.222 4.562 4.340 -0.000 0.000 0.270 349 Q C 0.126 176.200 176.000 0.123 0.000 1.022 349 Q CA -0.713 55.165 55.803 0.125 0.000 0.773 349 Q CB 1.385 30.177 28.738 0.090 0.000 1.251 349 Q HN 0.606 nan 8.270 nan 0.000 0.457 350 N N 1.658 120.417 118.700 0.099 0.000 2.776 350 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 350 N C 0.337 175.904 175.510 0.095 0.000 1.111 350 N CA 1.316 54.411 53.050 0.075 0.000 0.711 350 N CB -0.832 37.693 38.487 0.062 0.000 1.065 350 N HN 1.132 nan 8.380 nan 0.000 0.556 351 G N -1.205 107.677 108.800 0.136 0.000 2.148 351 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 351 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 351 G C -0.224 174.883 174.900 0.344 0.000 0.981 351 G CA 0.539 45.729 45.100 0.150 0.000 0.670 351 G HN 0.655 nan 8.290 nan 0.000 0.528 352 N N 0.146 119.067 118.700 0.368 0.000 2.249 352 N HA 0.486 5.226 4.740 -0.000 0.000 0.296 352 N C -1.497 174.034 175.510 0.035 0.000 1.051 352 N CA -0.740 52.466 53.050 0.259 0.000 0.815 352 N CB 1.716 40.279 38.487 0.128 0.000 1.487 352 N HN 0.124 nan 8.380 nan 0.000 0.475 353 D N 1.249 121.470 120.400 -0.299 0.000 2.344 353 D HA 0.036 4.676 4.640 -0.000 0.000 0.253 353 D C 1.088 177.341 176.300 -0.078 0.000 1.255 353 D CA -0.476 53.224 54.000 -0.500 0.000 0.894 353 D CB 0.781 41.164 40.800 -0.696 0.000 1.067 353 D HN 0.403 nan 8.370 nan 0.000 0.492 354 V N 1.697 121.616 119.914 0.009 0.000 3.380 354 V HA 0.083 4.203 4.120 -0.000 0.000 0.268 354 V C 0.666 176.942 176.094 0.303 0.000 1.168 354 V CA 0.609 63.012 62.300 0.170 0.000 1.156 354 V CB -0.467 31.455 31.823 0.164 0.000 0.785 354 V HN 0.370 nan 8.190 nan 0.000 0.487 355 N N 1.785 120.575 118.700 0.150 0.000 2.328 355 N HA 0.092 4.832 4.740 -0.000 0.000 0.247 355 N C 0.740 176.149 175.510 -0.168 0.000 1.165 355 N CA 0.697 53.729 53.050 -0.030 0.000 0.873 355 N CB 0.343 38.858 38.487 0.047 0.000 1.125 355 N HN 0.788 nan 8.380 nan 0.000 0.513 356 D N -0.511 119.919 120.400 0.049 0.000 2.363 356 D HA -0.105 4.535 4.640 -0.000 0.000 0.226 356 D C 1.492 177.988 176.300 0.327 0.000 1.020 356 D CA 0.004 54.041 54.000 0.063 0.000 0.892 356 D CB -0.400 40.548 40.800 0.245 0.000 0.900 356 D HN 0.464 nan 8.370 nan 0.000 0.531 357 W N 0.778 122.321 121.300 0.406 0.000 2.942 357 W HA 0.281 4.941 4.660 -0.000 0.000 0.263 357 W C -0.180 176.469 176.519 0.217 0.000 1.296 357 W CA -0.582 57.002 57.345 0.398 0.000 1.504 357 W CB -0.749 28.923 29.460 0.353 0.000 1.096 357 W HN -0.310 nan 8.180 nan 0.000 0.639 358 V N 3.518 122.957 119.914 -0.792 0.000 2.678 358 V HA 0.075 4.195 4.120 -0.000 0.000 0.304 358 V C 1.468 177.574 176.094 0.020 0.000 1.086 358 V CA 1.071 62.975 62.300 -0.661 0.000 1.246 358 V CB -0.601 30.908 31.823 -0.522 0.000 0.861 358 V HN 0.183 nan 8.190 nan 0.000 0.491 359 G N 6.685 115.479 108.800 -0.009 0.000 2.588 359 G HA2 0.464 4.424 3.960 -0.000 0.000 0.278 359 G HA3 0.464 4.424 3.960 -0.000 0.000 0.278 359 G C -2.259 172.377 174.900 -0.441 0.000 1.307 359 G CA -1.006 44.071 45.100 -0.037 0.000 1.016 359 G HN 0.655 nan 8.290 nan 0.000 0.503 360 P HA 0.174 nan 4.420 nan 0.000 0.271 360 P C -2.657 174.107 177.300 -0.894 0.000 1.233 360 P CA -1.005 61.207 63.100 -1.480 0.000 0.789 360 P CB -0.066 31.139 31.700 -0.826 0.000 0.951 361 P HA 0.013 nan 4.420 nan 0.000 0.261 361 P C -0.247 176.849 177.300 -0.340 0.000 1.173 361 P CA 0.888 63.618 63.100 -0.617 0.000 0.760 361 P CB -0.159 31.024 31.700 -0.862 0.000 0.783 362 N N 0.897 119.488 118.700 -0.181 0.000 3.116 362 N HA 0.364 5.104 4.740 -0.000 0.000 0.244 362 N C -1.691 173.813 175.510 -0.011 0.000 1.485 362 N CA -1.051 51.955 53.050 -0.074 0.000 0.884 362 N CB 1.145 39.605 38.487 -0.045 0.000 1.415 362 N HN 0.126 nan 8.380 nan 0.000 0.524 363 N N -0.009 118.704 118.700 0.022 0.000 2.540 363 N HA 0.393 5.133 4.740 -0.000 0.000 0.275 363 N C -1.177 174.382 175.510 0.081 0.000 1.053 363 N CA -0.797 52.274 53.050 0.035 0.000 0.876 363 N CB 0.953 39.450 38.487 0.016 0.000 1.284 363 N HN 0.597 nan 8.380 nan 0.000 0.518 364 N N 1.856 120.625 118.700 0.115 0.000 2.725 364 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 364 N C 0.837 176.558 175.510 0.353 0.000 1.103 364 N CA 1.319 54.484 53.050 0.191 0.000 0.707 364 N CB -0.862 37.692 38.487 0.111 0.000 1.043 364 N HN 1.059 nan 8.380 nan 0.000 0.553 365 G N -2.093 106.931 108.800 0.374 0.000 2.217 365 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.246 365 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.246 365 G C 0.043 174.949 174.900 0.010 0.000 0.990 365 G CA 0.251 45.433 45.100 0.137 0.000 0.627 365 G HN 0.409 nan 8.290 nan 0.000 0.522 366 V N 3.069 123.006 119.914 0.038 0.000 2.389 366 V HA 0.384 4.504 4.120 -0.000 0.000 0.264 366 V C 1.334 177.413 176.094 -0.025 0.000 1.049 366 V CA -0.598 61.699 62.300 -0.005 0.000 0.932 366 V CB 0.971 32.801 31.823 0.011 0.000 1.011 366 V HN 0.354 nan 8.190 nan 0.000 0.475 367 I N 5.120 125.657 120.570 -0.056 0.000 2.826 367 I HA -0.033 4.137 4.170 -0.000 0.000 0.295 367 I C 0.978 177.100 176.117 0.008 0.000 1.213 367 I CA 0.438 61.712 61.300 -0.043 0.000 1.436 367 I CB 0.104 38.076 38.000 -0.046 0.000 1.348 367 I HN 0.572 nan 8.210 nan 0.000 0.570 368 K N 6.387 126.817 120.400 0.051 0.000 2.295 368 K HA 0.103 4.423 4.320 -0.000 0.000 0.270 368 K C 0.214 176.908 176.600 0.157 0.000 1.011 368 K CA -0.444 55.899 56.287 0.092 0.000 0.953 368 K CB 0.560 33.101 32.500 0.068 0.000 0.956 368 K HN 0.581 nan 8.250 nan 0.000 0.477 369 E N 0.798 121.019 120.200 0.036 0.000 2.373 369 E HA 0.101 4.451 4.350 -0.000 0.000 0.263 369 E C -0.718 175.782 176.600 -0.167 0.000 1.073 369 E CA -0.727 55.611 56.400 -0.103 0.000 0.894 369 E CB 0.748 30.394 29.700 -0.089 0.000 1.008 369 E HN 0.051 nan 8.360 nan 0.000 0.420 370 V N 2.892 122.482 119.914 -0.541 0.000 2.427 370 V HA 0.135 4.255 4.120 -0.000 0.000 0.268 370 V C 0.314 176.220 176.094 -0.313 0.000 1.046 370 V CA -0.173 61.679 62.300 -0.746 0.000 0.970 370 V CB 0.481 31.490 31.823 -1.358 0.000 1.001 370 V HN 0.823 nan 8.190 nan 0.000 0.476 371 T N 4.138 118.614 114.554 -0.130 0.000 2.829 371 T HA 0.654 5.004 4.350 -0.000 0.000 0.282 371 T C -0.510 174.163 174.700 -0.045 0.000 0.990 371 T CA -0.775 61.288 62.100 -0.062 0.000 1.028 371 T CB 1.443 70.304 68.868 -0.011 0.000 0.951 371 T HN 0.221 nan 8.240 nan 0.000 0.460 372 I N 3.662 124.208 120.570 -0.039 0.000 2.304 372 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 372 I C 0.395 176.508 176.117 -0.007 0.000 1.018 372 I CA -0.935 60.349 61.300 -0.027 0.000 1.260 372 I CB 0.523 38.507 38.000 -0.026 0.000 1.390 372 I HN 0.680 nan 8.210 nan 0.000 0.475 373 N N 8.928 127.628 118.700 -0.000 0.000 2.424 373 N HA 0.218 4.957 4.740 -0.000 0.000 0.257 373 N C -1.396 174.119 175.510 0.009 0.000 1.250 373 N CA -1.231 51.823 53.050 0.006 0.000 0.946 373 N CB 0.494 38.987 38.487 0.010 0.000 1.175 373 N HN 0.361 nan 8.380 nan 0.000 0.477 374 P HA -0.134 nan 4.420 nan 0.000 0.223 374 P C 0.198 177.509 177.300 0.019 0.000 1.144 374 P CA 1.265 64.374 63.100 0.015 0.000 0.783 374 P CB 0.204 31.912 31.700 0.012 0.000 0.771 375 D N -1.399 119.010 120.400 0.016 0.000 2.340 375 D HA -0.030 4.610 4.640 -0.000 0.000 0.217 375 D C 0.884 177.201 176.300 0.028 0.000 1.081 375 D CA 1.036 55.047 54.000 0.020 0.000 0.842 375 D CB -0.774 40.032 40.800 0.009 0.000 0.934 375 D HN 0.262 nan 8.370 nan 0.000 0.511 376 T N -3.735 110.832 114.554 0.022 0.000 5.983 376 T HA -0.265 4.085 4.350 -0.000 0.000 0.274 376 T C 0.663 175.347 174.700 -0.026 0.000 2.195 376 T CA 1.444 63.548 62.100 0.008 0.000 3.709 376 T CB -2.937 65.962 68.868 0.051 0.000 0.873 376 T HN 0.515 nan 8.240 nan 0.000 1.045 377 T N -0.530 114.027 114.554 0.004 0.000 2.689 377 T HA 0.603 4.952 4.350 -0.000 0.000 0.308 377 T C 0.908 175.616 174.700 0.014 0.000 1.021 377 T CA -0.110 62.005 62.100 0.025 0.000 0.973 377 T CB 0.850 69.740 68.868 0.035 0.000 1.113 377 T HN 0.705 nan 8.240 nan 0.000 0.522 378 c N -0.069 118.564 118.600 0.054 0.000 2.562 378 c HA 0.899 5.469 4.570 -0.000 0.000 0.332 378 c C 1.199 175.344 174.090 0.090 0.000 1.201 378 c CA -0.425 55.942 56.329 0.064 0.000 1.803 378 c CB 1.066 43.644 42.510 0.112 0.000 2.328 378 c HN 1.206 nan 8.230 nan 0.000 0.500 379 G N 0.320 109.177 108.800 0.094 0.000 2.887 379 G HA2 0.497 4.457 3.960 -0.000 0.000 0.277 379 G HA3 0.497 4.457 3.960 -0.000 0.000 0.277 379 G C -0.094 174.898 174.900 0.153 0.000 1.346 379 G CA -0.186 44.967 45.100 0.088 0.000 1.058 379 G HN 0.793 nan 8.290 nan 0.000 0.535 380 N N 0.194 118.930 118.700 0.060 0.000 2.741 380 N HA -0.155 4.585 4.740 -0.000 0.000 0.251 380 N C -0.076 175.285 175.510 -0.247 0.000 1.112 380 N CA 1.356 54.396 53.050 -0.017 0.000 0.750 380 N CB -0.635 37.921 38.487 0.116 0.000 1.119 380 N HN 0.732 nan 8.380 nan 0.000 0.561 381 D N -4.058 116.244 120.400 -0.163 0.000 3.070 381 D HA -0.213 4.427 4.640 -0.000 0.000 0.210 381 D C -0.486 175.652 176.300 -0.269 0.000 1.103 381 D CA 1.014 54.881 54.000 -0.222 0.000 0.980 381 D CB -1.523 39.117 40.800 -0.266 0.000 1.100 381 D HN 0.501 nan 8.370 nan 0.000 0.423 382 W N 0.800 122.077 121.300 -0.038 0.000 2.345 382 W HA 0.370 5.031 4.660 0.000 0.000 0.308 382 W C 1.733 178.243 176.519 -0.014 0.000 1.273 382 W CA -0.864 56.476 57.345 -0.008 0.000 1.243 382 W CB 0.705 30.110 29.460 -0.090 0.000 1.260 382 W HN -0.269 nan 8.180 nan 0.000 0.509 383 V N 2.451 122.423 119.914 0.097 0.000 2.548 383 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 383 V C 1.305 177.485 176.094 0.144 0.000 1.055 383 V CA 0.562 62.840 62.300 -0.037 0.000 1.065 383 V CB -0.956 30.543 31.823 -0.540 0.000 0.681 383 V HN 0.879 nan 8.190 nan 0.000 0.462 384 c N 1.188 119.911 118.600 0.206 0.000 3.899 384 c HA -0.174 4.396 4.570 -0.000 0.000 0.297 384 c C 1.713 175.721 174.090 -0.138 0.000 1.371 384 c CA 0.565 56.999 56.329 0.176 0.000 2.088 384 c CB -2.569 40.004 42.510 0.105 0.000 1.346 384 c HN 0.683 nan 8.230 nan 0.000 0.658 385 E N 0.465 120.442 120.200 -0.372 0.000 2.171 385 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 385 E C 1.944 178.262 176.600 -0.470 0.000 0.997 385 E CA 1.743 57.496 56.400 -1.078 0.000 0.810 385 E CB -0.188 29.059 29.700 -0.755 0.000 0.738 385 E HN 0.972 nan 8.360 nan 0.000 0.467 386 H N -0.096 118.863 119.070 -0.186 0.000 2.545 386 H HA 0.076 4.632 4.556 -0.000 0.000 0.282 386 H C 1.242 176.669 175.328 0.164 0.000 1.020 386 H CA 0.917 56.990 56.048 0.043 0.000 1.243 386 H CB -0.039 29.676 29.762 -0.079 0.000 1.377 386 H HN 0.099 nan 8.280 nan 0.000 0.581 387 R N -0.576 119.696 120.500 -0.379 0.000 2.362 387 R HA 0.060 4.400 4.340 -0.000 0.000 0.227 387 R C -0.279 176.172 176.300 0.253 0.000 0.905 387 R CA -0.437 55.544 56.100 -0.198 0.000 1.067 387 R CB 0.276 30.276 30.300 -0.500 0.000 1.078 387 R HN 0.105 nan 8.270 nan 0.000 0.516 388 W N 1.865 123.197 121.300 0.053 0.000 2.303 388 W HA 0.160 4.820 4.660 -0.000 0.000 0.318 388 W C 1.540 178.135 176.519 0.127 0.000 1.362 388 W CA -1.152 56.248 57.345 0.092 0.000 1.234 388 W CB 0.015 29.550 29.460 0.125 0.000 1.248 388 W HN 0.066 nan 8.180 nan 0.000 0.546 389 R N 1.768 122.448 120.500 0.299 0.000 2.113 389 R HA -0.318 4.022 4.340 -0.000 0.000 0.244 389 R C 1.726 178.150 176.300 0.207 0.000 1.142 389 R CA 2.578 58.806 56.100 0.214 0.000 0.953 389 R CB -0.001 30.373 30.300 0.123 0.000 0.860 389 R HN 0.485 nan 8.270 nan 0.000 0.438 390 Q N 0.006 119.935 119.800 0.215 0.000 2.135 390 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 390 Q C 2.007 178.150 176.000 0.238 0.000 0.981 390 Q CA 1.818 57.734 55.803 0.189 0.000 0.856 390 Q CB -0.066 28.806 28.738 0.223 0.000 0.902 390 Q HN 0.487 nan 8.270 nan 0.000 0.425 391 I N -0.415 120.334 120.570 0.298 0.000 2.429 391 I HA -0.133 4.037 4.170 -0.000 0.000 0.247 391 I C 2.493 178.742 176.117 0.220 0.000 1.099 391 I CA 0.453 61.891 61.300 0.231 0.000 1.422 391 I CB -0.246 37.877 38.000 0.205 0.000 1.112 391 I HN 0.147 nan 8.210 nan 0.000 0.430 392 R N 1.597 122.275 120.500 0.296 0.000 2.091 392 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 392 R C 1.719 178.121 176.300 0.170 0.000 1.136 392 R CA 1.879 58.173 56.100 0.323 0.000 0.959 392 R CB -0.436 30.110 30.300 0.411 0.000 0.856 392 R HN 0.336 nan 8.270 nan 0.000 0.437 393 N N 0.052 118.852 118.700 0.167 0.000 2.396 393 N HA -0.083 4.657 4.740 -0.000 0.000 0.180 393 N C 1.512 177.114 175.510 0.153 0.000 1.028 393 N CA 0.921 54.062 53.050 0.152 0.000 0.893 393 N CB -0.070 38.509 38.487 0.154 0.000 0.967 393 N HN 0.225 nan 8.380 nan 0.000 0.440 394 M N -0.200 119.468 119.600 0.113 0.000 2.447 394 M HA 0.072 4.552 4.480 -0.000 0.000 0.264 394 M C 1.780 178.107 176.300 0.044 0.000 1.095 394 M CA 0.304 55.649 55.300 0.075 0.000 1.125 394 M CB -0.465 32.150 32.600 0.025 0.000 1.389 394 M HN -0.120 nan 8.290 nan 0.000 0.459 395 V N 0.443 120.333 119.914 -0.040 0.000 2.358 395 V HA -0.216 3.903 4.120 -0.000 0.000 0.246 395 V C 2.266 178.248 176.094 -0.188 0.000 1.047 395 V CA 1.409 63.580 62.300 -0.216 0.000 1.035 395 V CB -0.353 31.142 31.823 -0.545 0.000 0.658 395 V HN 0.330 nan 8.190 nan 0.000 0.452 396 I N -0.955 119.546 120.570 -0.115 0.000 2.353 396 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 396 I C 2.265 178.294 176.117 -0.146 0.000 1.119 396 I CA 1.468 62.697 61.300 -0.118 0.000 1.417 396 I CB -0.381 37.590 38.000 -0.047 0.000 1.078 396 I HN 0.329 nan 8.210 nan 0.000 0.421 397 F N 1.894 121.711 119.950 -0.220 0.000 2.126 397 F HA -0.227 4.300 4.527 0.000 0.000 0.299 397 F C 2.650 178.343 175.800 -0.179 0.000 1.096 397 F CA 1.657 59.507 58.000 -0.250 0.000 1.255 397 F CB -0.330 38.650 39.000 -0.033 0.000 0.997 397 F HN -0.152 nan 8.300 nan 0.000 0.479 398 R N 0.181 120.803 120.500 0.204 0.000 2.092 398 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 398 R C 2.002 178.270 176.300 -0.054 0.000 1.119 398 R CA 1.627 57.789 56.100 0.104 0.000 0.970 398 R CB -0.308 30.007 30.300 0.025 0.000 0.864 398 R HN 0.279 nan 8.270 nan 0.000 0.440 399 N N 0.016 118.649 118.700 -0.112 0.000 2.084 399 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 399 N C 1.768 177.188 175.510 -0.150 0.000 1.030 399 N CA 1.355 54.331 53.050 -0.124 0.000 0.849 399 N CB -0.387 38.020 38.487 -0.133 0.000 1.012 399 N HN 0.035 nan 8.380 nan 0.000 0.423 400 V N 0.994 120.763 119.914 -0.242 0.000 2.407 400 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 400 V C 2.067 178.021 176.094 -0.234 0.000 1.055 400 V CA 1.554 63.690 62.300 -0.274 0.000 1.049 400 V CB -0.604 30.927 31.823 -0.485 0.000 0.662 400 V HN 0.322 nan 8.190 nan 0.000 0.455 401 V N -2.007 117.742 119.914 -0.274 0.000 3.596 401 V HA 0.268 4.388 4.120 -0.000 0.000 0.289 401 V C 0.566 176.616 176.094 -0.073 0.000 1.336 401 V CA -0.256 61.931 62.300 -0.190 0.000 1.137 401 V CB -0.406 31.258 31.823 -0.266 0.000 0.966 401 V HN 0.446 nan 8.190 nan 0.000 0.428 402 D N 1.494 121.855 120.400 -0.065 0.000 2.531 402 D HA 0.387 5.027 4.640 -0.000 0.000 0.239 402 D C 1.470 177.761 176.300 -0.015 0.000 1.144 402 D CA 2.175 56.158 54.000 -0.028 0.000 0.869 402 D CB 0.467 41.248 40.800 -0.032 0.000 1.160 402 D HN 0.585 nan 8.370 nan 0.000 0.484 403 G N 3.212 112.013 108.800 0.002 0.000 2.284 403 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.230 403 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.230 403 G C 0.198 175.109 174.900 0.019 0.000 1.021 403 G CA -0.015 45.089 45.100 0.007 0.000 0.619 403 G HN 0.595 nan 8.290 nan 0.000 0.510 404 Q N 2.153 121.966 119.800 0.022 0.000 2.364 404 Q HA 0.342 4.682 4.340 -0.000 0.000 0.267 404 Q C -1.852 174.191 176.000 0.072 0.000 0.999 404 Q CA -0.891 54.937 55.803 0.041 0.000 0.886 404 Q CB 0.949 29.707 28.738 0.034 0.000 1.243 404 Q HN 0.466 nan 8.270 nan 0.000 0.415 405 P HA 0.100 nan 4.420 nan 0.000 0.274 405 P C -0.682 176.725 177.300 0.178 0.000 1.246 405 P CA -0.421 62.747 63.100 0.115 0.000 0.795 405 P CB 0.493 32.251 31.700 0.096 0.000 1.006 406 F N 1.993 121.952 119.950 0.014 0.000 2.445 406 F HA 0.372 4.899 4.527 0.000 0.000 0.359 406 F C 0.262 176.122 175.800 0.101 0.000 1.101 406 F CA 0.806 58.815 58.000 0.016 0.000 1.177 406 F CB 0.163 39.083 39.000 -0.133 0.000 1.110 406 F HN 0.419 nan 8.300 nan 0.000 0.522 407 T N 1.587 116.020 114.554 -0.201 0.000 2.671 407 T HA 0.291 4.641 4.350 -0.000 0.000 0.300 407 T C -0.422 174.269 174.700 -0.015 0.000 1.238 407 T CA -1.187 60.869 62.100 -0.072 0.000 1.020 407 T CB 1.207 70.112 68.868 0.062 0.000 1.503 407 T HN 0.491 nan 8.240 nan 0.000 0.497 408 N N 0.576 119.345 118.700 0.116 0.000 2.714 408 N HA -0.136 4.604 4.740 -0.000 0.000 0.252 408 N C -0.416 175.265 175.510 0.284 0.000 1.014 408 N CA 0.676 53.860 53.050 0.223 0.000 0.735 408 N CB -0.780 37.880 38.487 0.289 0.000 0.924 408 N HN 0.730 nan 8.380 nan 0.000 0.540 409 W N 0.979 122.307 121.300 0.048 0.000 2.190 409 W HA 0.301 4.960 4.660 -0.000 0.000 0.330 409 W C -0.479 176.172 176.519 0.221 0.000 1.299 409 W CA -0.081 57.322 57.345 0.098 0.000 1.215 409 W CB 0.310 29.800 29.460 0.050 0.000 1.147 409 W HN 0.217 nan 8.180 nan 0.000 0.563 410 Y N 5.209 125.065 120.300 -0.740 0.000 2.504 410 Y HA 0.381 4.931 4.550 0.000 0.000 0.344 410 Y C -1.585 173.844 175.900 -0.785 0.000 1.023 410 Y CA -0.937 56.868 58.100 -0.492 0.000 1.020 410 Y CB 1.382 39.738 38.460 -0.173 0.000 1.282 410 Y HN 0.520 nan 8.280 nan 0.000 0.454 411 D N 2.120 121.613 120.400 -1.511 0.000 2.736 411 D HA 0.202 4.842 4.640 -0.000 0.000 0.223 411 D C -1.025 174.730 176.300 -0.908 0.000 1.231 411 D CA -0.807 52.594 54.000 -0.999 0.000 0.818 411 D CB 1.057 41.735 40.800 -0.204 0.000 1.587 411 D HN 0.441 nan 8.370 nan 0.000 0.463 412 N N 1.265 119.700 118.700 -0.442 0.000 2.268 412 N HA 0.179 4.919 4.740 -0.000 0.000 0.204 412 N C 1.373 176.896 175.510 0.023 0.000 1.124 412 N CA 0.288 53.299 53.050 -0.065 0.000 0.838 412 N CB 0.353 38.956 38.487 0.192 0.000 0.994 412 N HN 1.028 nan 8.380 nan 0.000 0.489 413 G N -1.262 107.525 108.800 -0.021 0.000 2.179 413 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 413 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 413 G C 0.414 175.321 174.900 0.012 0.000 0.977 413 G CA 0.701 45.824 45.100 0.037 0.000 0.641 413 G HN 0.643 nan 8.290 nan 0.000 0.533 414 S N -0.649 115.048 115.700 -0.004 0.000 3.896 414 S HA 0.456 4.926 4.470 -0.000 0.000 0.187 414 S C 0.946 175.452 174.600 -0.157 0.000 1.007 414 S CA 0.721 58.900 58.200 -0.037 0.000 1.499 414 S CB 0.219 63.489 63.200 0.115 0.000 0.986 414 S HN 0.290 nan 8.310 nan 0.000 0.827 415 N N 0.733 119.305 118.700 -0.214 0.000 2.338 415 N HA 0.345 5.085 4.740 -0.000 0.000 0.251 415 N C -1.292 174.040 175.510 -0.295 0.000 1.199 415 N CA -0.074 52.812 53.050 -0.273 0.000 0.879 415 N CB 1.029 39.337 38.487 -0.299 0.000 1.159 415 N HN 0.293 nan 8.380 nan 0.000 0.514 416 Q N 1.342 120.977 119.800 -0.276 0.000 2.381 416 Q HA 0.472 4.812 4.340 -0.000 0.000 0.263 416 Q C -0.823 174.976 176.000 -0.336 0.000 1.030 416 Q CA -0.735 54.863 55.803 -0.342 0.000 0.772 416 Q CB 2.124 30.654 28.738 -0.348 0.000 1.232 416 Q HN 0.131 nan 8.270 nan 0.000 0.476 417 V N -1.127 118.589 119.914 -0.331 0.000 3.141 417 V HA 1.062 5.182 4.120 -0.000 0.000 0.312 417 V C -1.170 174.730 176.094 -0.323 0.000 1.157 417 V CA -0.839 61.198 62.300 -0.438 0.000 1.041 417 V CB 1.985 33.496 31.823 -0.519 0.000 1.071 417 V HN 0.735 nan 8.190 nan 0.000 0.441 418 A N 1.730 124.269 122.820 -0.467 0.000 2.605 418 A HA 1.005 5.325 4.320 -0.000 0.000 0.294 418 A C -1.229 176.114 177.584 -0.402 0.000 1.062 418 A CA -0.146 51.601 52.037 -0.483 0.000 0.682 418 A CB 1.643 20.369 19.000 -0.457 0.000 1.278 418 A HN 2.454 nan 8.150 nan 0.000 0.410 419 F N -1.214 118.330 119.950 -0.678 0.000 2.770 419 F HA 0.830 5.357 4.527 -0.000 0.000 0.313 419 F C -0.082 175.382 175.800 -0.561 0.000 1.154 419 F CA -0.309 57.433 58.000 -0.431 0.000 0.923 419 F CB 0.685 39.585 39.000 -0.166 0.000 1.301 419 F HN 1.180 nan 8.300 nan 0.000 0.449 420 G N 0.500 109.362 108.800 0.104 0.000 2.685 420 G HA2 0.691 4.651 3.960 -0.000 0.000 0.298 420 G HA3 0.691 4.651 3.960 -0.000 0.000 0.298 420 G C -1.561 173.517 174.900 0.297 0.000 1.277 420 G CA -1.315 43.932 45.100 0.245 0.000 0.986 420 G HN 0.588 nan 8.290 nan 0.000 0.487 421 R N 0.282 120.929 120.500 0.246 0.000 2.352 421 R HA 0.497 4.837 4.340 -0.000 0.000 0.304 421 R C 0.861 177.229 176.300 0.113 0.000 1.104 421 R CA 0.013 56.232 56.100 0.198 0.000 0.991 421 R CB 0.312 30.721 30.300 0.181 0.000 1.140 421 R HN 1.286 nan 8.270 nan 0.000 0.540 422 G N 3.527 112.392 108.800 0.109 0.000 2.614 422 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.303 422 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.303 422 G C 0.245 175.188 174.900 0.070 0.000 1.270 422 G CA 0.679 45.824 45.100 0.076 0.000 0.988 422 G HN 0.672 nan 8.290 nan 0.000 0.551 423 N N 0.440 119.168 118.700 0.047 0.000 2.389 423 N HA 0.259 4.999 4.740 -0.000 0.000 0.260 423 N C 1.280 176.809 175.510 0.033 0.000 1.191 423 N CA -0.042 53.031 53.050 0.039 0.000 0.885 423 N CB 0.630 39.139 38.487 0.036 0.000 1.162 423 N HN 0.502 nan 8.380 nan 0.000 0.512 424 R N -0.668 119.841 120.500 0.015 0.000 2.344 424 R HA 0.379 4.719 4.340 -0.000 0.000 0.209 424 R C 0.371 176.630 176.300 -0.068 0.000 0.886 424 R CA 0.450 56.539 56.100 -0.018 0.000 1.040 424 R CB 1.051 31.316 30.300 -0.059 0.000 1.114 424 R HN 0.314 nan 8.270 nan 0.000 0.547 425 G N 0.324 109.090 108.800 -0.057 0.000 2.673 425 G HA2 0.518 4.478 3.960 -0.000 0.000 0.292 425 G HA3 0.518 4.478 3.960 -0.000 0.000 0.292 425 G C -2.041 172.980 174.900 0.202 0.000 1.450 425 G CA -0.405 44.650 45.100 -0.075 0.000 0.837 425 G HN -0.013 nan 8.290 nan 0.000 0.505 426 F N 0.589 120.592 119.950 0.089 0.000 2.608 426 F HA 0.810 5.337 4.527 0.000 0.000 0.309 426 F C -1.051 174.694 175.800 -0.091 0.000 1.103 426 F CA -1.016 56.970 58.000 -0.024 0.000 0.954 426 F CB 2.119 41.062 39.000 -0.094 0.000 1.267 426 F HN 0.511 nan 8.300 nan 0.000 0.444 427 I N 5.420 125.417 120.570 -0.955 0.000 2.686 427 I HA 0.727 4.897 4.170 -0.000 0.000 0.295 427 I C -1.836 173.583 176.117 -1.164 0.000 1.114 427 I CA -0.732 60.017 61.300 -0.920 0.000 1.038 427 I CB 1.957 39.394 38.000 -0.939 0.000 1.238 427 I HN 0.368 nan 8.210 nan 0.000 0.420 428 V N 6.922 126.267 119.914 -0.947 0.000 2.656 428 V HA 0.548 4.668 4.120 -0.000 0.000 0.307 428 V C -1.017 174.625 176.094 -0.753 0.000 1.051 428 V CA -0.503 61.327 62.300 -0.783 0.000 0.893 428 V CB 1.840 33.281 31.823 -0.636 0.000 0.999 428 V HN 0.486 nan 8.190 nan 0.000 0.426 429 F N 2.383 122.129 119.950 -0.339 0.000 2.532 429 F HA 0.595 5.122 4.527 0.000 0.000 0.321 429 F C 0.124 175.712 175.800 -0.352 0.000 1.089 429 F CA -0.647 57.205 58.000 -0.248 0.000 0.926 429 F CB 2.010 40.856 39.000 -0.257 0.000 1.168 429 F HN 0.455 nan 8.300 nan 0.000 0.459 430 N N 1.786 120.449 118.700 -0.061 0.000 2.576 430 N HA 0.197 4.937 4.740 -0.000 0.000 0.269 430 N C -0.953 174.471 175.510 -0.144 0.000 1.058 430 N CA -0.260 52.685 53.050 -0.176 0.000 0.860 430 N CB 0.600 39.028 38.487 -0.099 0.000 1.249 430 N HN 0.574 nan 8.380 nan 0.000 0.525 431 N N 1.909 120.473 118.700 -0.226 0.000 2.235 431 N HA 0.176 4.916 4.740 -0.000 0.000 0.231 431 N C -1.102 174.225 175.510 -0.304 0.000 1.177 431 N CA -0.160 52.756 53.050 -0.223 0.000 0.874 431 N CB 0.376 38.722 38.487 -0.236 0.000 1.097 431 N HN 0.486 nan 8.380 nan 0.000 0.518 432 D N -0.456 119.665 120.400 -0.465 0.000 2.332 432 D HA 0.153 4.793 4.640 -0.000 0.000 0.252 432 D C -0.129 175.847 176.300 -0.539 0.000 1.050 432 D CA -0.194 53.354 54.000 -0.754 0.000 0.970 432 D CB 1.059 40.873 40.800 -1.644 0.000 1.141 432 D HN 0.069 nan 8.370 nan 0.000 0.485 433 D N 0.988 121.182 120.400 -0.342 0.000 2.400 433 D HA 0.096 4.736 4.640 -0.000 0.000 0.243 433 D C -0.080 176.343 176.300 0.206 0.000 1.184 433 D CA 0.066 54.066 54.000 0.001 0.000 0.853 433 D CB -0.074 40.804 40.800 0.130 0.000 0.944 433 D HN 0.325 nan 8.370 nan 0.000 0.501 434 W N -1.153 120.179 121.300 0.054 0.000 3.083 434 W HA 0.530 5.190 4.660 -0.000 0.000 0.333 434 W C -0.402 176.175 176.519 0.096 0.000 1.217 434 W CA -1.048 56.337 57.345 0.067 0.000 1.170 434 W CB 0.106 29.605 29.460 0.065 0.000 1.437 434 W HN -0.429 nan 8.180 nan 0.000 0.557 435 S N 1.404 117.310 115.700 0.344 0.000 2.584 435 S HA 0.359 4.829 4.470 -0.000 0.000 0.270 435 S C -1.119 173.692 174.600 0.351 0.000 1.346 435 S CA -0.161 58.191 58.200 0.254 0.000 1.018 435 S CB 0.214 63.532 63.200 0.196 0.000 0.899 435 S HN 0.398 nan 8.310 nan 0.000 0.542 436 F N 1.852 121.859 119.950 0.094 0.000 2.482 436 F HA 0.598 5.125 4.527 0.000 0.000 0.331 436 F C -0.144 175.693 175.800 0.063 0.000 1.115 436 F CA -0.597 57.455 58.000 0.086 0.000 0.955 436 F CB 1.545 40.557 39.000 0.021 0.000 1.136 436 F HN 0.404 nan 8.300 nan 0.000 0.452 437 S N 7.519 122.845 115.700 -0.624 0.000 2.614 437 S HA 0.731 5.201 4.470 -0.000 0.000 0.259 437 S C -2.158 172.066 174.600 -0.626 0.000 1.118 437 S CA -0.409 57.465 58.200 -0.543 0.000 1.065 437 S CB 0.386 63.537 63.200 -0.081 0.000 1.121 437 S HN 0.823 nan 8.310 nan 0.000 0.458 438 L N 3.138 123.792 121.223 -0.948 0.000 2.775 438 L HA 0.689 5.029 4.340 -0.000 0.000 0.263 438 L C -0.826 175.814 176.870 -0.383 0.000 1.017 438 L CA -0.051 54.484 54.840 -0.508 0.000 0.891 438 L CB 2.073 43.816 42.059 -0.527 0.000 1.482 438 L HN 0.542 nan 8.230 nan 0.000 0.410 439 T N 2.776 117.300 114.554 -0.050 0.000 2.767 439 T HA 0.772 5.122 4.350 -0.000 0.000 0.284 439 T C -0.873 173.833 174.700 0.011 0.000 0.973 439 T CA -0.169 61.959 62.100 0.047 0.000 0.996 439 T CB 0.699 69.626 68.868 0.100 0.000 0.927 439 T HN 0.293 nan 8.240 nan 0.000 0.456 440 L N 2.474 123.747 121.223 0.083 0.000 2.333 440 L HA 0.590 4.930 4.340 -0.000 0.000 0.263 440 L C -0.084 176.764 176.870 -0.037 0.000 1.014 440 L CA -1.090 53.766 54.840 0.026 0.000 0.820 440 L CB 1.496 43.591 42.059 0.059 0.000 1.352 440 L HN 0.384 nan 8.230 nan 0.000 0.421 441 Q N 0.113 119.877 119.800 -0.060 0.000 2.307 441 Q HA 0.269 4.609 4.340 -0.000 0.000 0.259 441 Q C 0.651 176.450 176.000 -0.335 0.000 0.998 441 Q CA 0.547 56.283 55.803 -0.111 0.000 0.923 441 Q CB 1.144 29.875 28.738 -0.012 0.000 1.196 441 Q HN 0.781 nan 8.270 nan 0.000 0.416 442 T N 0.334 114.576 114.554 -0.521 0.000 3.031 442 T HA 0.252 4.602 4.350 -0.000 0.000 0.254 442 T C 1.264 175.737 174.700 -0.378 0.000 1.060 442 T CA 0.553 62.050 62.100 -1.005 0.000 1.135 442 T CB -0.134 68.208 68.868 -0.877 0.000 0.896 442 T HN 1.017 nan 8.240 nan 0.000 0.472 443 G N 1.041 109.732 108.800 -0.182 0.000 2.159 443 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.256 443 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.256 443 G C -0.268 174.607 174.900 -0.041 0.000 0.977 443 G CA 0.190 45.258 45.100 -0.054 0.000 0.652 443 G HN 0.583 nan 8.290 nan 0.000 0.531 444 L N 1.728 122.894 121.223 -0.095 0.000 2.375 444 L HA 0.654 4.994 4.340 -0.000 0.000 0.268 444 L C -1.369 175.512 176.870 0.019 0.000 1.058 444 L CA -2.409 52.398 54.840 -0.055 0.000 0.803 444 L CB 0.866 42.794 42.059 -0.217 0.000 1.212 444 L HN -0.029 nan 8.230 nan 0.000 0.451 445 P HA 0.185 nan 4.420 nan 0.000 0.275 445 P C -0.892 176.512 177.300 0.173 0.000 1.228 445 P CA -0.532 62.636 63.100 0.113 0.000 0.786 445 P CB 0.678 32.443 31.700 0.107 0.000 0.927 446 A N 1.779 124.663 122.820 0.107 0.000 2.583 446 A HA 0.428 4.748 4.320 -0.000 0.000 0.231 446 A C 0.892 178.554 177.584 0.130 0.000 1.065 446 A CA 1.243 53.345 52.037 0.109 0.000 0.760 446 A CB -1.168 17.863 19.000 0.053 0.000 1.001 446 A HN 0.974 nan 8.150 nan 0.000 0.509 447 G N -0.627 108.256 108.800 0.139 0.000 2.369 447 G HA2 0.432 4.392 3.960 -0.000 0.000 0.307 447 G HA3 0.432 4.392 3.960 -0.000 0.000 0.307 447 G C -0.690 174.269 174.900 0.098 0.000 1.327 447 G CA -0.222 44.901 45.100 0.038 0.000 0.963 447 G HN 1.132 nan 8.290 nan 0.000 0.590 448 T N 1.070 115.596 114.554 -0.047 0.000 2.758 448 T HA 0.646 4.996 4.350 -0.000 0.000 0.285 448 T C -1.118 173.465 174.700 -0.195 0.000 0.981 448 T CA 0.101 62.197 62.100 -0.006 0.000 0.965 448 T CB 0.677 69.588 68.868 0.071 0.000 0.927 448 T HN 0.406 nan 8.240 nan 0.000 0.448 449 Y N 0.574 120.774 120.300 -0.167 0.000 2.468 449 Y HA 0.443 4.993 4.550 -0.000 0.000 0.342 449 Y C 0.455 176.248 175.900 -0.179 0.000 1.021 449 Y CA -1.213 56.797 58.100 -0.148 0.000 1.079 449 Y CB 1.019 39.412 38.460 -0.112 0.000 1.226 449 Y HN 0.566 nan 8.280 nan 0.000 0.460 450 c N 2.232 120.831 118.600 -0.002 0.000 2.435 450 c HA 0.187 4.757 4.570 -0.000 0.000 0.375 450 c C 0.273 174.340 174.090 -0.039 0.000 1.281 450 c CA -0.697 55.601 56.329 -0.051 0.000 1.963 450 c CB -0.383 42.090 42.510 -0.062 0.000 2.490 450 c HN 0.766 nan 8.230 nan 0.000 0.557 451 D N 1.730 122.098 120.400 -0.052 0.000 2.343 451 D HA 0.146 4.786 4.640 -0.000 0.000 0.255 451 D C 0.967 177.232 176.300 -0.059 0.000 1.187 451 D CA -0.363 53.607 54.000 -0.050 0.000 0.875 451 D CB 1.015 41.776 40.800 -0.067 0.000 1.136 451 D HN 0.428 nan 8.370 nan 0.000 0.469 452 V N 2.568 122.458 119.914 -0.041 0.000 3.573 452 V HA 0.008 4.128 4.120 -0.000 0.000 0.270 452 V C 1.466 177.535 176.094 -0.043 0.000 1.221 452 V CA 0.334 62.630 62.300 -0.007 0.000 1.163 452 V CB -0.661 31.217 31.823 0.092 0.000 0.847 452 V HN 0.518 nan 8.190 nan 0.000 0.468 453 I N 2.104 122.584 120.570 -0.149 0.000 2.429 453 I HA -0.016 4.154 4.170 -0.000 0.000 0.247 453 I C 2.751 178.766 176.117 -0.170 0.000 1.099 453 I CA 1.898 63.048 61.300 -0.250 0.000 1.422 453 I CB -1.011 36.614 38.000 -0.625 0.000 1.112 453 I HN 0.582 nan 8.210 nan 0.000 0.430 454 S N -0.158 115.449 115.700 -0.154 0.000 2.470 454 S HA 0.222 4.692 4.470 -0.000 0.000 0.225 454 S C 1.088 175.654 174.600 -0.057 0.000 1.006 454 S CA 0.480 58.621 58.200 -0.099 0.000 0.934 454 S CB -0.073 63.072 63.200 -0.092 0.000 0.778 454 S HN 0.423 nan 8.310 nan 0.000 0.517 455 G N -0.321 108.450 108.800 -0.047 0.000 2.846 455 G HA2 0.564 4.524 3.960 -0.000 0.000 0.299 455 G HA3 0.564 4.524 3.960 -0.000 0.000 0.299 455 G C -2.157 172.740 174.900 -0.005 0.000 1.242 455 G CA -0.543 44.544 45.100 -0.022 0.000 0.800 455 G HN 0.176 nan 8.290 nan 0.000 0.538 456 D N -0.388 120.012 120.400 0.000 0.000 2.581 456 D HA 0.331 4.971 4.640 -0.000 0.000 0.232 456 D C -0.957 175.341 176.300 -0.003 0.000 1.143 456 D CA -0.544 53.463 54.000 0.013 0.000 0.881 456 D CB 2.628 43.445 40.800 0.030 0.000 1.500 456 D HN 0.212 nan 8.370 nan 0.000 0.458 457 K N 2.298 122.696 120.400 -0.002 0.000 2.250 457 K HA 0.301 4.621 4.320 -0.000 0.000 0.280 457 K C -0.522 176.076 176.600 -0.003 0.000 1.098 457 K CA -0.351 55.926 56.287 -0.016 0.000 0.916 457 K CB -0.202 32.281 32.500 -0.028 0.000 1.209 457 K HN 0.447 nan 8.250 nan 0.000 0.461 458 I N 6.374 126.941 120.570 -0.005 0.000 2.243 458 I HA -0.034 4.136 4.170 -0.000 0.000 0.289 458 I C 0.018 176.133 176.117 -0.004 0.000 1.140 458 I CA -0.595 60.706 61.300 0.002 0.000 1.289 458 I CB -0.252 37.751 38.000 0.005 0.000 1.498 458 I HN 0.670 nan 8.210 nan 0.000 0.561 459 N N 4.713 123.409 118.700 -0.005 0.000 2.639 459 N HA -0.263 4.477 4.740 -0.000 0.000 0.305 459 N C 0.611 176.114 175.510 -0.013 0.000 1.282 459 N CA 1.157 54.201 53.050 -0.010 0.000 0.691 459 N CB -0.734 37.751 38.487 -0.004 0.000 1.022 459 N HN 0.936 nan 8.380 nan 0.000 0.531 460 G N 1.029 109.816 108.800 -0.021 0.000 2.308 460 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.221 460 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.221 460 G C -0.093 174.793 174.900 -0.023 0.000 1.032 460 G CA 0.392 45.479 45.100 -0.022 0.000 0.623 460 G HN 0.900 nan 8.290 nan 0.000 0.506 461 N N -0.972 117.716 118.700 -0.021 0.000 2.853 461 N HA 0.620 5.360 4.740 -0.000 0.000 0.258 461 N C -0.901 174.595 175.510 -0.024 0.000 1.444 461 N CA 0.352 53.390 53.050 -0.021 0.000 0.837 461 N CB 1.386 39.866 38.487 -0.011 0.000 1.489 461 N HN 0.341 nan 8.380 nan 0.000 0.529 462 c N -0.058 118.526 118.600 -0.027 0.000 2.454 462 c HA 0.566 5.135 4.570 -0.000 0.000 0.336 462 c C 1.799 175.876 174.090 -0.021 0.000 1.189 462 c CA -0.523 55.788 56.329 -0.031 0.000 1.877 462 c CB 1.022 43.503 42.510 -0.048 0.000 2.348 462 c HN 0.874 nan 8.230 nan 0.000 0.508 463 T N -1.715 112.828 114.554 -0.018 0.000 3.086 463 T HA 0.390 4.740 4.350 -0.000 0.000 0.250 463 T C 0.686 175.375 174.700 -0.019 0.000 1.074 463 T CA 0.524 62.616 62.100 -0.013 0.000 0.988 463 T CB 0.144 69.009 68.868 -0.005 0.000 0.988 463 T HN 0.951 nan 8.240 nan 0.000 0.530 464 G N 0.778 109.561 108.800 -0.029 0.000 3.247 464 G HA2 0.665 4.625 3.960 -0.000 0.000 0.226 464 G HA3 0.665 4.625 3.960 -0.000 0.000 0.226 464 G C -0.740 174.132 174.900 -0.047 0.000 1.220 464 G CA -1.312 43.766 45.100 -0.036 0.000 0.875 464 G HN 0.376 nan 8.290 nan 0.000 0.606 465 I N 0.664 121.201 120.570 -0.056 0.000 2.872 465 I HA 0.096 4.266 4.170 -0.000 0.000 0.291 465 I C 0.227 176.280 176.117 -0.108 0.000 1.216 465 I CA 0.820 62.079 61.300 -0.069 0.000 1.424 465 I CB 0.538 38.501 38.000 -0.061 0.000 1.351 465 I HN 0.166 nan 8.210 nan 0.000 0.592 466 K N 5.913 126.210 120.400 -0.171 0.000 2.324 466 K HA 0.599 4.919 4.320 -0.000 0.000 0.253 466 K C -1.167 175.133 176.600 -0.499 0.000 0.932 466 K CA -0.739 55.361 56.287 -0.310 0.000 0.799 466 K CB 2.126 34.414 32.500 -0.353 0.000 1.154 466 K HN 0.314 nan 8.250 nan 0.000 0.425 467 I N 3.208 123.490 120.570 -0.480 0.000 2.474 467 I HA 0.286 4.456 4.170 -0.000 0.000 0.294 467 I C -0.848 174.969 176.117 -0.501 0.000 1.005 467 I CA -0.842 60.168 61.300 -0.484 0.000 1.113 467 I CB 1.135 38.952 38.000 -0.304 0.000 1.289 467 I HN 0.533 nan 8.210 nan 0.000 0.436 468 Y N 4.620 124.862 120.300 -0.097 0.000 2.334 468 Y HA 0.453 5.003 4.550 -0.000 0.000 0.336 468 Y C 0.210 176.073 175.900 -0.062 0.000 0.960 468 Y CA -0.923 57.154 58.100 -0.039 0.000 1.164 468 Y CB 1.539 39.966 38.460 -0.055 0.000 1.155 468 Y HN 0.165 nan 8.280 nan 0.000 0.478 469 V N 3.968 123.967 119.914 0.141 0.000 2.407 469 V HA 0.373 4.493 4.120 -0.000 0.000 0.278 469 V C 0.261 176.397 176.094 0.069 0.000 1.037 469 V CA -0.809 61.525 62.300 0.056 0.000 0.900 469 V CB 1.142 33.001 31.823 0.061 0.000 0.983 469 V HN 0.915 nan 8.190 nan 0.000 0.459 470 S N 2.762 118.475 115.700 0.022 0.000 2.652 470 S HA 0.211 4.681 4.470 -0.000 0.000 0.267 470 S C 0.751 175.360 174.600 0.014 0.000 1.201 470 S CA -0.531 57.678 58.200 0.015 0.000 0.996 470 S CB 0.656 63.854 63.200 -0.004 0.000 1.054 470 S HN 0.674 nan 8.310 nan 0.000 0.561 471 D N 1.183 121.588 120.400 0.008 0.000 2.218 471 D HA -0.077 4.563 4.640 -0.000 0.000 0.204 471 D C 0.893 177.196 176.300 0.005 0.000 0.976 471 D CA 1.431 55.436 54.000 0.008 0.000 0.853 471 D CB -0.474 40.328 40.800 0.003 0.000 0.939 471 D HN 0.818 nan 8.370 nan 0.000 0.481 472 D N -1.151 119.248 120.400 -0.002 0.000 2.325 472 D HA 0.182 4.822 4.640 -0.000 0.000 0.225 472 D C 1.474 177.765 176.300 -0.014 0.000 1.096 472 D CA 0.420 54.418 54.000 -0.004 0.000 0.844 472 D CB -0.038 40.761 40.800 -0.003 0.000 0.925 472 D HN 0.156 nan 8.370 nan 0.000 0.513 473 G N 0.061 108.848 108.800 -0.021 0.000 2.179 473 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.260 473 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.260 473 G C 0.215 175.062 174.900 -0.088 0.000 0.977 473 G CA 0.232 45.300 45.100 -0.052 0.000 0.641 473 G HN 0.467 nan 8.290 nan 0.000 0.533 474 K N 0.371 120.736 120.400 -0.058 0.000 2.118 474 K HA 0.745 5.065 4.320 -0.000 0.000 0.264 474 K C 0.206 176.766 176.600 -0.068 0.000 1.000 474 K CA 0.244 56.496 56.287 -0.059 0.000 0.929 474 K CB 1.590 34.074 32.500 -0.026 0.000 1.021 474 K HN 0.814 nan 8.250 nan 0.000 0.463 475 A N 1.421 124.198 122.820 -0.073 0.000 2.589 475 A HA 0.303 4.623 4.320 -0.000 0.000 0.296 475 A C -1.903 175.541 177.584 -0.233 0.000 1.062 475 A CA -0.708 51.216 52.037 -0.188 0.000 0.686 475 A CB 0.992 19.775 19.000 -0.360 0.000 1.282 475 A HN 0.831 nan 8.150 nan 0.000 0.404 476 H N 0.283 119.129 119.070 -0.373 0.000 2.527 476 H HA 0.706 5.262 4.556 -0.000 0.000 0.321 476 H C -1.508 173.506 175.328 -0.523 0.000 1.087 476 H CA 0.008 55.881 56.048 -0.292 0.000 1.337 476 H CB 0.414 30.073 29.762 -0.172 0.000 1.440 476 H HN 0.415 nan 8.280 nan 0.000 0.490 477 F N 2.164 121.753 119.950 -0.603 0.000 2.540 477 F HA 0.389 4.916 4.527 0.000 0.000 0.317 477 F C -0.134 175.368 175.800 -0.496 0.000 1.104 477 F CA -0.720 57.083 58.000 -0.328 0.000 0.913 477 F CB 2.184 41.161 39.000 -0.038 0.000 1.170 477 F HN 0.432 nan 8.300 nan 0.000 0.450 478 S N 4.394 120.077 115.700 -0.028 0.000 2.779 478 S HA 0.758 5.228 4.470 -0.000 0.000 0.293 478 S C -1.218 173.447 174.600 0.107 0.000 1.150 478 S CA -0.374 57.817 58.200 -0.015 0.000 1.057 478 S CB 0.229 63.452 63.200 0.038 0.000 1.021 478 S HN 0.526 nan 8.310 nan 0.000 0.485 479 I N 3.609 124.287 120.570 0.181 0.000 2.468 479 I HA 0.327 4.496 4.170 -0.000 0.000 0.284 479 I C 0.226 176.429 176.117 0.144 0.000 1.038 479 I CA -0.628 60.771 61.300 0.165 0.000 1.083 479 I CB 2.000 40.113 38.000 0.188 0.000 1.223 479 I HN 0.565 nan 8.210 nan 0.000 0.443 480 S N 4.430 120.189 115.700 0.098 0.000 2.580 480 S HA 0.097 4.567 4.470 -0.000 0.000 0.274 480 S C 1.360 176.001 174.600 0.069 0.000 1.329 480 S CA -0.581 57.672 58.200 0.089 0.000 1.036 480 S CB 0.595 63.837 63.200 0.070 0.000 0.919 480 S HN 0.760 nan 8.310 nan 0.000 0.515 481 N N 2.935 121.672 118.700 0.062 0.000 2.571 481 N HA -0.039 4.701 4.740 -0.000 0.000 0.189 481 N C 0.654 176.185 175.510 0.035 0.000 1.154 481 N CA 0.397 53.464 53.050 0.027 0.000 0.907 481 N CB -0.193 38.302 38.487 0.014 0.000 0.977 481 N HN 0.379 nan 8.380 nan 0.000 0.449 482 S N -0.321 115.407 115.700 0.046 0.000 2.540 482 S HA 0.323 4.793 4.470 -0.000 0.000 0.218 482 S C 0.917 175.539 174.600 0.036 0.000 0.977 482 S CA -0.336 57.889 58.200 0.040 0.000 0.918 482 S CB 0.206 63.431 63.200 0.042 0.000 0.806 482 S HN 0.625 nan 8.310 nan 0.000 0.496 483 A N 1.809 124.652 122.820 0.038 0.000 2.520 483 A HA 0.177 4.497 4.320 -0.000 0.000 0.235 483 A C 1.488 179.091 177.584 0.032 0.000 1.065 483 A CA -0.044 52.012 52.037 0.031 0.000 0.764 483 A CB 0.125 19.144 19.000 0.032 0.000 1.002 483 A HN 0.237 nan 8.150 nan 0.000 0.502 484 E N 0.913 121.124 120.200 0.019 0.000 2.077 484 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 484 E C -0.313 176.317 176.600 0.050 0.000 0.989 484 E CA 1.897 58.311 56.400 0.023 0.000 0.800 484 E CB 0.077 29.777 29.700 0.001 0.000 0.746 484 E HN 0.631 nan 8.360 nan 0.000 0.452 485 D N 1.117 121.540 120.400 0.039 0.000 2.461 485 D HA 0.138 4.778 4.640 -0.000 0.000 0.240 485 D C -2.181 174.184 176.300 0.109 0.000 1.094 485 D CA -1.522 52.535 54.000 0.096 0.000 0.868 485 D CB 1.580 42.344 40.800 -0.060 0.000 1.062 485 D HN 0.178 nan 8.370 nan 0.000 0.530 486 P HA 0.024 nan 4.420 nan 0.000 0.286 486 P C -0.696 176.758 177.300 0.257 0.000 1.577 486 P CA -0.007 63.197 63.100 0.174 0.000 0.805 486 P CB -0.803 30.966 31.700 0.114 0.000 1.706 487 F N -1.636 118.260 119.950 -0.090 0.000 2.665 487 F HA 0.628 5.155 4.527 0.000 0.000 0.308 487 F C -1.610 174.043 175.800 -0.245 0.000 1.112 487 F CA -2.245 55.605 58.000 -0.251 0.000 0.972 487 F CB 0.654 39.406 39.000 -0.413 0.000 1.295 487 F HN -0.326 nan 8.300 nan 0.000 0.440 488 I N 2.604 122.986 120.570 -0.313 0.000 2.509 488 I HA 0.817 4.987 4.170 -0.000 0.000 0.293 488 I C -0.652 175.299 176.117 -0.278 0.000 1.020 488 I CA -1.168 59.969 61.300 -0.271 0.000 1.088 488 I CB 2.015 40.005 38.000 -0.017 0.000 1.267 488 I HN 1.006 nan 8.210 nan 0.000 0.430 489 A N 7.531 130.230 122.820 -0.202 0.000 2.398 489 A HA 0.895 5.215 4.320 -0.000 0.000 0.301 489 A C -0.849 176.792 177.584 0.094 0.000 1.041 489 A CA -0.487 51.494 52.037 -0.093 0.000 0.711 489 A CB 1.308 20.177 19.000 -0.219 0.000 1.240 489 A HN 0.730 nan 8.150 nan 0.000 0.420 490 I N 0.052 120.743 120.570 0.203 0.000 2.828 490 I HA 0.943 5.113 4.170 -0.000 0.000 0.302 490 I C -0.646 175.574 176.117 0.172 0.000 1.101 490 I CA -0.944 60.425 61.300 0.115 0.000 1.031 490 I CB 2.411 40.415 38.000 0.007 0.000 1.231 490 I HN 0.945 nan 8.210 nan 0.000 0.427 491 H N 2.649 121.798 119.070 0.132 0.000 2.966 491 H HA 0.743 5.298 4.556 -0.000 0.000 0.330 491 H C 0.397 175.823 175.328 0.163 0.000 1.292 491 H CA -0.361 55.690 56.048 0.004 0.000 1.127 491 H CB 1.181 30.806 29.762 -0.229 0.000 1.863 491 H HN 0.666 nan 8.280 nan 0.000 0.543 492 A N 0.193 123.201 122.820 0.314 0.000 1.958 492 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 492 A C 1.644 179.367 177.584 0.231 0.000 1.178 492 A CA 2.000 54.197 52.037 0.267 0.000 0.642 492 A CB -0.716 18.365 19.000 0.135 0.000 0.816 492 A HN 0.733 nan 8.150 nan 0.000 0.453 493 E N -0.061 120.397 120.200 0.430 0.000 2.502 493 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 493 E C 1.684 178.341 176.600 0.096 0.000 1.062 493 E CA 0.923 57.488 56.400 0.275 0.000 0.867 493 E CB -0.091 29.794 29.700 0.309 0.000 0.888 493 E HN 0.759 nan 8.360 nan 0.000 0.510 494 S N -0.314 115.273 115.700 -0.188 0.000 2.539 494 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 494 S C 0.801 175.315 174.600 -0.143 0.000 0.987 494 S CA -0.444 57.612 58.200 -0.240 0.000 0.929 494 S CB 0.194 63.110 63.200 -0.474 0.000 0.832 494 S HN -0.026 nan 8.310 nan 0.000 0.492 495 K N 1.370 121.656 120.400 -0.190 0.000 2.401 495 K HA 0.235 4.555 4.320 -0.000 0.000 0.278 495 K C -0.212 176.189 176.600 -0.332 0.000 1.018 495 K CA -0.590 55.363 56.287 -0.558 0.000 0.981 495 K CB 0.296 32.368 32.500 -0.713 0.000 0.933 495 K HN 0.131 nan 8.250 nan 0.000 0.477 496 L N 0.000 121.025 121.223 -0.330 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.731 54.840 -0.181 0.000 0.813 496 L CB 0.000 41.981 42.059 -0.131 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502