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 2pc9_1_D DATA FIRST_RESID 2 DATA SEQUENCE QRLEALGIHP KKRVFWNTVS PVLVEHTLLR GEGLLAHHGP LVVDTTPYTG DATA SEQUENCE RSPKDKFVVR EPEVEGEIWW GEVNQPFAPE AFEALYQRVV QYLSERDLYV DATA SEQUENCE QDLYAGADRR YRLAVRVVTE SPWHALFARN MFILPRRFGX XXXXXAFVPG DATA SEQUENCE FTVVHAPYFQ AVPERDGTRS EVFVGISFQR RLVLIVGTKY AGEIKKSIFT DATA SEQUENCE VMNYLMPKRG VFPMHASANV GKEGDVAVFF GLSGTGKTTL STDPERPLIG DATA SEQUENCE DDEHGWSEDG VFNFEGGCYA KVIRLSPEHE PLIYKASNQF EAILENVVVN DATA SEQUENCE PESRRVQWDD DSKTENTRSS YPIAHLENVV ESGVAGHPRA IFFLSADAYG DATA SEQUENCE VLPPIARLSP EEAMYYFLSG YTARVXXXXX XXXXPRATFS ACFGAPFLPM DATA SEQUENCE HPGVYARMLG EKIRKHAPRV YLVNTGWTGG PYGVGYRFPL PVTRALLKAA DATA SEQUENCE LSGALENVPY RRDPVFGFEV PLEAPGVPQE LLNPRETWAD KEAYDQQARK DATA SEQUENCE LARLFQENFQ KYASGVAKEV AEAGPRT 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.878 176.000 -0.203 0.000 1.003 2 Q CA 0.000 55.457 55.803 -0.576 0.000 1.022 2 Q CB 0.000 28.532 28.738 -0.343 0.000 1.108 3 R N 0.654 121.204 120.500 0.083 0.000 2.510 3 R HA 0.378 4.717 4.340 -0.000 0.000 0.287 3 R C -0.507 175.946 176.300 0.256 0.000 1.084 3 R CA -0.236 55.972 56.100 0.180 0.000 0.934 3 R CB 0.919 31.273 30.300 0.089 0.000 1.201 3 R HN 0.217 nan 8.270 nan 0.000 0.431 4 L N 3.076 124.449 121.223 0.250 0.000 2.607 4 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 4 L C 0.958 177.868 176.870 0.067 0.000 1.123 4 L CA 0.016 54.945 54.840 0.149 0.000 0.890 4 L CB 0.264 42.374 42.059 0.086 0.000 1.103 4 L HN 0.655 nan 8.230 nan 0.000 0.468 5 E N 1.144 121.398 120.200 0.090 0.000 2.204 5 E HA -0.155 4.194 4.350 -0.000 0.000 0.195 5 E C 2.247 178.883 176.600 0.060 0.000 0.990 5 E CA 1.136 57.582 56.400 0.076 0.000 0.821 5 E CB -0.130 29.660 29.700 0.151 0.000 0.750 5 E HN 0.417 nan 8.360 nan 0.000 0.477 6 A N -0.057 122.805 122.820 0.070 0.000 2.121 6 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 6 A C 1.809 179.428 177.584 0.058 0.000 1.154 6 A CA 0.762 52.835 52.037 0.061 0.000 0.679 6 A CB -0.251 18.785 19.000 0.061 0.000 0.795 6 A HN 0.231 nan 8.150 nan 0.000 0.458 7 L N -1.982 119.278 121.223 0.063 0.000 2.554 7 L HA 0.265 4.605 4.340 -0.000 0.000 0.225 7 L C 1.614 178.560 176.870 0.126 0.000 1.104 7 L CA 0.557 55.468 54.840 0.117 0.000 0.866 7 L CB 0.055 42.183 42.059 0.115 0.000 1.047 7 L HN 0.511 nan 8.230 nan 0.000 0.468 8 G N 0.999 109.784 108.800 -0.025 0.000 2.141 8 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.231 8 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.231 8 G C 0.135 174.761 174.900 -0.457 0.000 0.984 8 G CA -0.347 44.658 45.100 -0.157 0.000 0.660 8 G HN 0.242 nan 8.290 nan 0.000 0.525 9 I N 1.969 122.311 120.570 -0.381 0.000 2.325 9 I HA 0.344 4.514 4.170 -0.000 0.000 0.291 9 I C -0.038 175.839 176.117 -0.399 0.000 1.019 9 I CA -0.802 60.291 61.300 -0.345 0.000 1.302 9 I CB 0.864 38.766 38.000 -0.164 0.000 1.401 9 I HN 0.044 nan 8.210 nan 0.000 0.485 10 H N 6.318 125.378 119.070 -0.015 0.000 2.632 10 H HA 0.294 4.850 4.556 -0.000 0.000 0.258 10 H C -2.403 172.910 175.328 -0.026 0.000 1.278 10 H CA -2.588 53.455 56.048 -0.009 0.000 1.352 10 H CB 0.389 30.147 29.762 -0.007 0.000 1.418 10 H HN 0.257 nan 8.280 nan 0.000 0.513 11 P HA -0.010 nan 4.420 nan 0.000 0.258 11 P C 0.611 177.909 177.300 -0.003 0.000 1.187 11 P CA 0.311 63.409 63.100 -0.003 0.000 0.767 11 P CB 0.828 32.523 31.700 -0.007 0.000 0.770 12 K N 1.917 122.300 120.400 -0.029 0.000 2.358 12 K HA 0.142 4.462 4.320 -0.000 0.000 0.200 12 K C 0.765 177.335 176.600 -0.051 0.000 1.030 12 K CA 0.150 56.419 56.287 -0.030 0.000 1.097 12 K CB 0.415 32.898 32.500 -0.028 0.000 0.862 12 K HN 0.298 nan 8.250 nan 0.000 0.534 13 K N 0.690 121.044 120.400 -0.076 0.000 1.776 13 K HA 0.392 4.712 4.320 -0.000 0.000 0.262 13 K C -0.115 176.396 176.600 -0.150 0.000 0.971 13 K CA -0.664 55.564 56.287 -0.097 0.000 0.943 13 K CB 0.344 32.787 32.500 -0.095 0.000 2.334 13 K HN -0.140 nan 8.250 nan 0.000 0.894 14 R N 0.389 120.753 120.500 -0.225 0.000 2.531 14 R HA 0.452 4.792 4.340 -0.000 0.000 0.273 14 R C -0.540 175.429 176.300 -0.551 0.000 1.070 14 R CA -0.492 55.353 56.100 -0.425 0.000 1.112 14 R CB 0.773 30.706 30.300 -0.611 0.000 1.049 14 R HN 0.085 nan 8.270 nan 0.000 0.508 15 V N 3.925 123.486 119.914 -0.589 0.000 2.443 15 V HA 0.315 4.435 4.120 -0.000 0.000 0.293 15 V C -1.061 174.702 176.094 -0.552 0.000 1.021 15 V CA -0.673 61.329 62.300 -0.496 0.000 0.848 15 V CB 1.144 32.867 31.823 -0.167 0.000 0.998 15 V HN 0.527 nan 8.190 nan 0.000 0.424 16 F N 3.414 123.162 119.950 -0.337 0.000 2.385 16 F HA 0.506 5.033 4.527 -0.000 0.000 0.360 16 F C -0.210 175.493 175.800 -0.163 0.000 1.122 16 F CA -0.592 57.308 58.000 -0.167 0.000 1.090 16 F CB 0.918 39.780 39.000 -0.231 0.000 1.150 16 F HN 0.417 nan 8.300 nan 0.000 0.472 17 W N 3.827 125.201 121.300 0.125 0.000 2.361 17 W HA 0.355 5.014 4.660 -0.000 0.000 0.309 17 W C 0.389 176.955 176.519 0.077 0.000 1.122 17 W CA -0.724 56.666 57.345 0.075 0.000 1.208 17 W CB 0.546 30.023 29.460 0.028 0.000 1.246 17 W HN 0.467 nan 8.180 nan 0.000 0.490 18 N N 1.209 120.051 118.700 0.237 0.000 2.716 18 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 18 N C -0.259 175.335 175.510 0.139 0.000 1.033 18 N CA 1.272 54.410 53.050 0.147 0.000 0.727 18 N CB -1.678 36.889 38.487 0.132 0.000 0.950 18 N HN 0.367 nan 8.380 nan 0.000 0.541 19 T N -0.047 114.599 114.554 0.154 0.000 2.946 19 T HA 0.236 4.585 4.350 -0.000 0.000 0.311 19 T C 1.397 176.136 174.700 0.066 0.000 1.063 19 T CA -0.267 61.904 62.100 0.118 0.000 1.139 19 T CB 1.106 70.044 68.868 0.118 0.000 0.994 19 T HN 0.231 nan 8.240 nan 0.000 0.547 20 V N 1.228 121.172 119.914 0.051 0.000 2.953 20 V HA 0.281 4.401 4.120 -0.000 0.000 0.304 20 V C 1.381 177.498 176.094 0.039 0.000 1.073 20 V CA -0.515 61.816 62.300 0.051 0.000 1.064 20 V CB 0.833 32.694 31.823 0.063 0.000 1.047 20 V HN 0.874 nan 8.190 nan 0.000 0.478 21 S N 2.834 118.572 115.700 0.063 0.000 2.368 21 S HA -0.109 4.361 4.470 -0.000 0.000 0.226 21 S C -0.391 174.280 174.600 0.119 0.000 1.044 21 S CA 2.461 60.697 58.200 0.060 0.000 1.062 21 S CB -1.520 61.726 63.200 0.077 0.000 0.931 21 S HN 0.877 nan 8.310 nan 0.000 0.440 22 P HA -0.066 nan 4.420 nan 0.000 0.216 22 P C 1.523 178.896 177.300 0.121 0.000 1.153 22 P CA 0.846 64.121 63.100 0.291 0.000 0.858 22 P CB -0.131 31.668 31.700 0.166 0.000 0.789 23 V N -0.697 119.223 119.914 0.010 0.000 2.307 23 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 23 V C 2.459 178.384 176.094 -0.282 0.000 1.045 23 V CA 1.567 63.782 62.300 -0.141 0.000 1.024 23 V CB -1.314 30.389 31.823 -0.200 0.000 0.651 23 V HN 0.058 nan 8.190 nan 0.000 0.449 24 L N -0.279 120.819 121.223 -0.208 0.000 2.079 24 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 24 L C 2.485 179.311 176.870 -0.072 0.000 1.081 24 L CA 1.202 55.922 54.840 -0.201 0.000 0.752 24 L CB -0.724 41.259 42.059 -0.127 0.000 0.896 24 L HN 0.210 nan 8.230 nan 0.000 0.433 25 V N -0.222 119.689 119.914 -0.005 0.000 2.295 25 V HA -0.275 3.844 4.120 -0.000 0.000 0.246 25 V C 2.376 178.522 176.094 0.087 0.000 1.049 25 V CA 1.848 64.177 62.300 0.048 0.000 1.024 25 V CB -0.473 31.414 31.823 0.106 0.000 0.648 25 V HN 0.451 nan 8.190 nan 0.000 0.447 26 E N -0.779 119.480 120.200 0.098 0.000 2.085 26 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 26 E C 2.131 178.847 176.600 0.193 0.000 0.994 26 E CA 1.761 58.241 56.400 0.133 0.000 0.801 26 E CB -0.253 29.529 29.700 0.135 0.000 0.743 26 E HN 0.742 nan 8.360 nan 0.000 0.453 27 H N -0.424 118.649 119.070 0.005 0.000 2.321 27 H HA -0.070 4.486 4.556 -0.000 0.000 0.300 27 H C 2.301 177.641 175.328 0.021 0.000 1.087 27 H CA 1.270 57.318 56.048 0.000 0.000 1.319 27 H CB 0.062 29.801 29.762 -0.039 0.000 1.379 27 H HN 0.126 nan 8.280 nan 0.000 0.501 28 T N 1.505 116.150 114.554 0.151 0.000 2.720 28 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 28 T C 2.247 176.998 174.700 0.086 0.000 1.037 28 T CA 1.003 63.176 62.100 0.122 0.000 1.144 28 T CB -0.328 68.611 68.868 0.117 0.000 0.864 28 T HN 0.197 nan 8.240 nan 0.000 0.444 29 L N 0.298 121.566 121.223 0.076 0.000 1.994 29 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 29 L C 2.568 179.469 176.870 0.052 0.000 1.071 29 L CA 1.249 56.122 54.840 0.055 0.000 0.745 29 L CB -0.667 41.429 42.059 0.061 0.000 0.892 29 L HN 0.241 nan 8.230 nan 0.000 0.431 30 L N -0.458 120.802 121.223 0.063 0.000 2.131 30 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 30 L C 2.322 179.214 176.870 0.036 0.000 1.092 30 L CA 1.183 56.049 54.840 0.044 0.000 0.759 30 L CB -0.394 41.687 42.059 0.035 0.000 0.903 30 L HN 0.233 nan 8.230 nan 0.000 0.435 31 R N -0.046 120.484 120.500 0.050 0.000 2.320 31 R HA 0.117 4.457 4.340 -0.000 0.000 0.211 31 R C 1.216 177.545 176.300 0.048 0.000 0.931 31 R CA 0.514 56.643 56.100 0.048 0.000 1.071 31 R CB 0.040 30.383 30.300 0.071 0.000 1.025 31 R HN 0.387 nan 8.270 nan 0.000 0.495 32 G N 1.548 110.374 108.800 0.042 0.000 2.225 32 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.267 32 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.267 32 G C 0.369 175.294 174.900 0.041 0.000 1.024 32 G CA 0.546 45.666 45.100 0.033 0.000 0.784 32 G HN 0.484 nan 8.290 nan 0.000 0.507 33 E N -0.530 119.705 120.200 0.058 0.000 2.474 33 E HA 0.435 4.785 4.350 -0.000 0.000 0.195 33 E C 1.250 177.815 176.600 -0.059 0.000 1.039 33 E CA 0.448 56.889 56.400 0.070 0.000 0.881 33 E CB 0.526 30.347 29.700 0.202 0.000 0.970 33 E HN 0.794 nan 8.360 nan 0.000 0.486 34 G N 0.151 108.914 108.800 -0.061 0.000 2.523 34 G HA2 0.486 4.446 3.960 -0.000 0.000 0.291 34 G HA3 0.486 4.446 3.960 -0.000 0.000 0.291 34 G C -1.760 173.097 174.900 -0.072 0.000 1.450 34 G CA -0.852 44.172 45.100 -0.126 0.000 0.790 34 G HN -0.020 nan 8.290 nan 0.000 0.496 35 L N 0.054 121.225 121.223 -0.086 0.000 2.370 35 L HA 0.576 4.916 4.340 -0.000 0.000 0.266 35 L C -0.275 176.569 176.870 -0.044 0.000 1.002 35 L CA -0.976 53.833 54.840 -0.053 0.000 0.818 35 L CB 2.348 44.372 42.059 -0.060 0.000 1.325 35 L HN 0.322 nan 8.230 nan 0.000 0.418 36 L N 2.173 123.390 121.223 -0.008 0.000 2.290 36 L HA 0.544 4.884 4.340 -0.000 0.000 0.284 36 L C 0.295 177.171 176.870 0.008 0.000 1.078 36 L CA -0.162 54.688 54.840 0.016 0.000 0.815 36 L CB 1.445 43.536 42.059 0.054 0.000 1.162 36 L HN 0.711 nan 8.230 nan 0.000 0.435 37 A N 2.332 125.157 122.820 0.008 0.000 2.281 37 A HA 0.361 4.681 4.320 -0.000 0.000 0.329 37 A C -0.538 177.086 177.584 0.067 0.000 1.122 37 A CA -0.635 51.410 52.037 0.012 0.000 0.850 37 A CB 0.417 19.396 19.000 -0.035 0.000 1.207 37 A HN 0.758 nan 8.150 nan 0.000 0.495 38 H N -0.160 118.881 119.070 -0.048 0.000 3.212 38 H HA -0.117 4.439 4.556 -0.000 0.000 0.292 38 H C 0.838 176.187 175.328 0.034 0.000 0.922 38 H CA 2.871 58.863 56.048 -0.094 0.000 1.389 38 H CB -0.595 29.067 29.762 -0.167 0.000 1.321 38 H HN 0.943 nan 8.280 nan 0.000 0.563 39 H N 1.476 120.316 119.070 -0.383 0.000 4.089 39 H HA -0.207 4.349 4.556 -0.000 0.000 0.142 39 H C 1.361 176.650 175.328 -0.065 0.000 0.778 39 H CA 0.693 56.557 56.048 -0.308 0.000 1.258 39 H CB -1.135 28.437 29.762 -0.316 0.000 0.810 39 H HN 0.986 nan 8.280 nan 0.000 0.487 40 G N -1.235 107.643 108.800 0.129 0.000 2.205 40 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.180 40 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.180 40 G C -2.439 172.547 174.900 0.144 0.000 1.004 40 G CA -0.191 45.035 45.100 0.210 0.000 0.670 40 G HN 0.352 nan 8.290 nan 0.000 0.496 41 P HA 0.417 nan 4.420 nan 0.000 0.268 41 P C -0.247 177.041 177.300 -0.021 0.000 1.205 41 P CA -0.119 62.997 63.100 0.027 0.000 0.771 41 P CB 1.209 32.941 31.700 0.053 0.000 0.858 42 L N 4.616 125.797 121.223 -0.070 0.000 2.262 42 L HA 0.283 4.623 4.340 -0.000 0.000 0.288 42 L C -0.750 176.035 176.870 -0.142 0.000 1.035 42 L CA -0.473 54.307 54.840 -0.099 0.000 0.820 42 L CB 0.889 42.876 42.059 -0.119 0.000 1.204 42 L HN 0.030 nan 8.230 nan 0.000 0.424 43 V N 6.436 126.257 119.914 -0.154 0.000 2.406 43 V HA 0.514 4.634 4.120 -0.000 0.000 0.272 43 V C 0.128 176.054 176.094 -0.281 0.000 1.043 43 V CA -0.167 62.014 62.300 -0.198 0.000 0.915 43 V CB 1.306 33.031 31.823 -0.163 0.000 0.988 43 V HN 0.673 nan 8.190 nan 0.000 0.466 44 V N 1.532 121.214 119.914 -0.388 0.000 3.126 44 V HA 0.773 4.892 4.120 -0.000 0.000 0.314 44 V C -0.944 174.934 176.094 -0.360 0.000 1.138 44 V CA -0.806 61.173 62.300 -0.536 0.000 1.034 44 V CB 2.399 33.515 31.823 -1.178 0.000 1.075 44 V HN 0.721 nan 8.190 nan 0.000 0.442 45 D N 0.459 120.689 120.400 -0.282 0.000 2.646 45 D HA 0.544 5.184 4.640 -0.000 0.000 0.245 45 D C 0.125 176.416 176.300 -0.016 0.000 1.099 45 D CA 0.378 54.309 54.000 -0.116 0.000 0.849 45 D CB 2.588 43.349 40.800 -0.065 0.000 1.448 45 D HN 1.027 nan 8.370 nan 0.000 0.489 46 T N -0.950 113.639 114.554 0.059 0.000 3.170 46 T HA 0.139 4.489 4.350 -0.000 0.000 0.288 46 T C 0.711 175.503 174.700 0.154 0.000 0.992 46 T CA -0.184 62.022 62.100 0.176 0.000 0.909 46 T CB -0.238 68.802 68.868 0.285 0.000 1.133 46 T HN 0.381 nan 8.240 nan 0.000 0.530 47 T N 1.420 116.015 114.554 0.068 0.000 2.906 47 T HA 0.280 4.630 4.350 -0.000 0.000 0.320 47 T C -1.380 173.308 174.700 -0.020 0.000 1.088 47 T CA -0.752 61.350 62.100 0.003 0.000 1.120 47 T CB 0.453 69.308 68.868 -0.023 0.000 1.000 47 T HN 0.024 nan 8.240 nan 0.000 0.550 48 P HA 0.143 nan 4.420 nan 0.000 0.249 48 P C -0.670 176.413 177.300 -0.362 0.000 1.229 48 P CA 0.052 62.978 63.100 -0.290 0.000 0.788 48 P CB -0.156 31.304 31.700 -0.400 0.000 1.072 49 Y N 1.188 121.504 120.300 0.026 0.000 2.594 49 Y HA 0.223 4.773 4.550 -0.000 0.000 0.342 49 Y C 1.536 177.448 175.900 0.019 0.000 1.010 49 Y CA -0.234 57.874 58.100 0.013 0.000 1.270 49 Y CB 0.134 38.623 38.460 0.047 0.000 1.125 49 Y HN -0.091 nan 8.280 nan 0.000 0.513 50 T N -1.368 113.213 114.554 0.044 0.000 3.186 50 T HA 0.589 4.939 4.350 -0.000 0.000 0.257 50 T C 0.626 175.112 174.700 -0.357 0.000 1.029 50 T CA 0.066 62.164 62.100 -0.003 0.000 0.916 50 T CB -0.120 68.755 68.868 0.011 0.000 1.041 50 T HN 0.648 nan 8.240 nan 0.000 0.562 51 G N 0.168 108.574 108.800 -0.657 0.000 2.600 51 G HA2 0.563 4.523 3.960 -0.000 0.000 0.293 51 G HA3 0.563 4.523 3.960 -0.000 0.000 0.293 51 G C -1.242 173.199 174.900 -0.765 0.000 1.408 51 G CA -1.272 43.209 45.100 -1.032 0.000 0.782 51 G HN 0.235 nan 8.290 nan 0.000 0.482 52 R N -0.572 119.707 120.500 -0.369 0.000 2.774 52 R HA 0.428 4.768 4.340 -0.000 0.000 0.269 52 R C -0.275 176.011 176.300 -0.025 0.000 1.068 52 R CA 0.155 56.250 56.100 -0.008 0.000 1.180 52 R CB 0.580 30.974 30.300 0.155 0.000 1.077 52 R HN 0.315 nan 8.270 nan 0.000 0.513 53 S N 3.021 118.714 115.700 -0.013 0.000 2.328 53 S HA 0.162 4.632 4.470 -0.000 0.000 0.204 53 S C -1.762 172.800 174.600 -0.063 0.000 1.475 53 S CA -1.200 56.975 58.200 -0.041 0.000 1.148 53 S CB 1.332 64.473 63.200 -0.098 0.000 1.077 53 S HN 0.540 nan 8.310 nan 0.000 0.479 54 P HA -0.116 nan 4.420 nan 0.000 0.216 54 P C 0.763 177.965 177.300 -0.162 0.000 1.150 54 P CA 1.107 64.144 63.100 -0.105 0.000 0.837 54 P CB 0.172 31.816 31.700 -0.094 0.000 0.786 55 K N -0.470 119.858 120.400 -0.120 0.000 2.504 55 K HA -0.035 4.285 4.320 -0.000 0.000 0.195 55 K C 0.603 177.091 176.600 -0.187 0.000 1.036 55 K CA 0.725 56.931 56.287 -0.135 0.000 0.984 55 K CB -0.170 32.302 32.500 -0.047 0.000 0.788 55 K HN 0.216 nan 8.250 nan 0.000 0.488 56 D N 0.763 121.054 120.400 -0.181 0.000 2.538 56 D HA 0.014 4.654 4.640 -0.000 0.000 0.231 56 D C -0.449 175.676 176.300 -0.293 0.000 1.229 56 D CA 0.081 54.013 54.000 -0.114 0.000 0.828 56 D CB 0.545 41.357 40.800 0.021 0.000 1.035 56 D HN 0.049 nan 8.370 nan 0.000 0.495 57 K N 0.927 121.013 120.400 -0.523 0.000 2.213 57 K HA 0.426 4.745 4.320 -0.000 0.000 0.270 57 K C -1.195 174.993 176.600 -0.686 0.000 1.002 57 K CA -0.274 55.742 56.287 -0.452 0.000 0.868 57 K CB 0.899 33.237 32.500 -0.270 0.000 1.093 57 K HN -0.291 nan 8.250 nan 0.000 0.454 58 F N 1.857 121.630 119.950 -0.296 0.000 2.620 58 F HA 0.499 5.026 4.527 -0.000 0.000 0.320 58 F C -0.637 175.128 175.800 -0.058 0.000 1.069 58 F CA -0.995 56.936 58.000 -0.115 0.000 0.953 58 F CB 2.050 40.984 39.000 -0.110 0.000 1.322 58 F HN 0.041 nan 8.300 nan 0.000 0.479 59 V N 2.293 122.416 119.914 0.348 0.000 2.577 59 V HA 0.352 4.472 4.120 -0.000 0.000 0.303 59 V C -0.647 175.704 176.094 0.429 0.000 1.042 59 V CA -1.027 61.427 62.300 0.258 0.000 0.872 59 V CB 1.839 33.785 31.823 0.205 0.000 0.998 59 V HN 0.540 nan 8.190 nan 0.000 0.423 60 V N 4.820 124.854 119.914 0.200 0.000 2.599 60 V HA 0.108 4.228 4.120 -0.000 0.000 0.300 60 V C 0.954 177.230 176.094 0.304 0.000 1.034 60 V CA -0.055 62.357 62.300 0.187 0.000 1.115 60 V CB 0.294 32.024 31.823 -0.155 0.000 0.934 60 V HN 0.838 nan 8.190 nan 0.000 0.485 61 R N 3.653 124.278 120.500 0.208 0.000 2.893 61 R HA 0.174 4.514 4.340 -0.000 0.000 0.243 61 R C -0.012 176.345 176.300 0.095 0.000 1.481 61 R CA 0.005 56.162 56.100 0.095 0.000 1.250 61 R CB -0.137 30.030 30.300 -0.222 0.000 1.213 61 R HN 0.779 nan 8.270 nan 0.000 0.609 62 E N 3.266 123.572 120.200 0.176 0.000 2.216 62 E HA 0.131 4.481 4.350 -0.000 0.000 0.279 62 E C -1.819 174.864 176.600 0.137 0.000 0.997 62 E CA -2.160 54.310 56.400 0.118 0.000 0.817 62 E CB 1.632 31.393 29.700 0.102 0.000 1.096 62 E HN 0.282 nan 8.360 nan 0.000 0.393 63 P HA -0.228 nan 4.420 nan 0.000 0.216 63 P C 0.496 177.861 177.300 0.107 0.000 1.154 63 P CA 1.306 64.459 63.100 0.087 0.000 0.865 63 P CB 0.287 32.020 31.700 0.055 0.000 0.789 64 E N -0.833 119.428 120.200 0.102 0.000 2.118 64 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 64 E C 1.638 178.318 176.600 0.132 0.000 0.992 64 E CA 1.431 57.894 56.400 0.104 0.000 0.804 64 E CB -0.651 29.105 29.700 0.093 0.000 0.741 64 E HN 0.254 nan 8.360 nan 0.000 0.458 65 V N -2.023 117.991 119.914 0.166 0.000 3.483 65 V HA 0.196 4.316 4.120 -0.000 0.000 0.301 65 V C 1.629 177.872 176.094 0.248 0.000 1.389 65 V CA 0.181 62.586 62.300 0.176 0.000 1.101 65 V CB 0.439 32.334 31.823 0.121 0.000 0.971 65 V HN -0.057 nan 8.190 nan 0.000 0.434 66 E N 3.021 123.396 120.200 0.291 0.000 2.114 66 E HA -0.144 4.206 4.350 -0.000 0.000 0.199 66 E C 2.028 178.868 176.600 0.400 0.000 1.008 66 E CA 2.280 58.923 56.400 0.405 0.000 0.810 66 E CB -0.760 29.085 29.700 0.241 0.000 0.739 66 E HN 0.664 nan 8.360 nan 0.000 0.456 67 G N -1.094 107.853 108.800 0.244 0.000 2.985 67 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.209 67 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.209 67 G C 1.032 176.037 174.900 0.176 0.000 1.165 67 G CA 0.198 45.419 45.100 0.203 0.000 0.776 67 G HN 0.242 nan 8.290 nan 0.000 0.541 68 E N -0.384 119.906 120.200 0.150 0.000 2.244 68 E HA 0.136 4.486 4.350 -0.000 0.000 0.196 68 E C 0.302 176.918 176.600 0.026 0.000 0.939 68 E CA -0.310 56.154 56.400 0.106 0.000 0.884 68 E CB 0.491 30.258 29.700 0.112 0.000 0.850 68 E HN 0.183 nan 8.360 nan 0.000 0.481 69 I N 1.576 122.051 120.570 -0.158 0.000 2.556 69 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 69 I C 0.019 175.721 176.117 -0.692 0.000 1.114 69 I CA -0.120 60.831 61.300 -0.581 0.000 1.418 69 I CB -0.158 37.099 38.000 -1.238 0.000 1.394 69 I HN 0.220 nan 8.210 nan 0.000 0.552 70 W N 8.796 129.597 121.300 -0.831 0.000 2.081 70 W HA 0.282 4.942 4.660 -0.000 0.000 0.433 70 W C -0.685 175.554 176.519 -0.467 0.000 0.876 70 W CA -1.737 55.086 57.345 -0.869 0.000 1.631 70 W CB -0.213 28.805 29.460 -0.737 0.000 1.757 70 W HN 0.403 nan 8.180 nan 0.000 0.298 71 W N 5.772 127.046 121.300 -0.043 0.000 2.251 71 W HA 0.421 5.080 4.660 -0.000 0.000 0.327 71 W C 0.963 177.319 176.519 -0.271 0.000 1.361 71 W CA 1.031 58.310 57.345 -0.109 0.000 1.234 71 W CB 0.619 30.087 29.460 0.013 0.000 1.212 71 W HN 0.652 nan 8.180 nan 0.000 0.557 72 G N 1.005 109.775 108.800 -0.050 0.000 2.404 72 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.253 72 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.253 72 G C 0.416 175.181 174.900 -0.224 0.000 1.253 72 G CA -0.085 44.894 45.100 -0.201 0.000 0.917 72 G HN 0.480 nan 8.290 nan 0.000 0.480 73 E N -0.185 119.850 120.200 -0.276 0.000 2.204 73 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 73 E C 2.045 178.469 176.600 -0.294 0.000 0.989 73 E CA 1.685 57.946 56.400 -0.232 0.000 0.824 73 E CB -0.048 29.542 29.700 -0.183 0.000 0.756 73 E HN 0.204 nan 8.360 nan 0.000 0.477 74 V N 1.756 121.413 119.914 -0.429 0.000 2.273 74 V HA -0.106 4.014 4.120 -0.000 0.000 0.242 74 V C 0.845 176.754 176.094 -0.309 0.000 1.035 74 V CA 1.188 63.254 62.300 -0.390 0.000 1.013 74 V CB -0.369 31.151 31.823 -0.504 0.000 0.652 74 V HN 0.279 nan 8.190 nan 0.000 0.452 75 N N 1.854 120.365 118.700 -0.315 0.000 2.817 75 N HA 0.261 5.001 4.740 -0.000 0.000 0.234 75 N C -0.567 174.973 175.510 0.049 0.000 1.066 75 N CA -0.013 52.942 53.050 -0.157 0.000 0.926 75 N CB 0.911 39.260 38.487 -0.230 0.000 1.176 75 N HN 0.575 nan 8.380 nan 0.000 0.506 76 Q N 2.162 121.960 119.800 -0.003 0.000 2.304 76 Q HA 0.239 4.579 4.340 -0.000 0.000 0.260 76 Q C -2.071 174.245 176.000 0.527 0.000 0.965 76 Q CA -1.459 54.432 55.803 0.147 0.000 0.898 76 Q CB 0.914 29.526 28.738 -0.209 0.000 1.196 76 Q HN 0.329 nan 8.270 nan 0.000 0.402 77 P HA 0.099 nan 4.420 nan 0.000 0.275 77 P C -1.203 176.381 177.300 0.472 0.000 1.228 77 P CA 0.030 63.318 63.100 0.314 0.000 0.786 77 P CB 0.563 32.104 31.700 -0.265 0.000 0.927 78 F N 1.600 121.666 119.950 0.195 0.000 2.581 78 F HA 0.535 5.062 4.527 -0.000 0.000 0.311 78 F C -0.559 175.276 175.800 0.059 0.000 1.113 78 F CA -0.850 57.217 58.000 0.112 0.000 0.935 78 F CB 1.870 40.971 39.000 0.168 0.000 1.232 78 F HN 0.415 nan 8.300 nan 0.000 0.445 79 A N 6.956 129.565 122.820 -0.353 0.000 2.477 79 A HA 0.368 4.687 4.320 -0.000 0.000 0.246 79 A C -1.978 175.571 177.584 -0.058 0.000 1.078 79 A CA -0.933 50.978 52.037 -0.209 0.000 0.770 79 A CB -0.085 18.750 19.000 -0.276 0.000 1.011 79 A HN 0.671 nan 8.150 nan 0.000 0.494 80 P HA -0.188 nan 4.420 nan 0.000 0.216 80 P C 0.821 178.191 177.300 0.117 0.000 1.150 80 P CA 1.703 64.857 63.100 0.090 0.000 0.843 80 P CB 0.237 31.961 31.700 0.039 0.000 0.787 81 E N -0.435 119.775 120.200 0.018 0.000 2.047 81 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 81 E C 2.171 178.761 176.600 -0.018 0.000 0.987 81 E CA 1.410 57.810 56.400 0.000 0.000 0.799 81 E CB -1.235 28.440 29.700 -0.042 0.000 0.752 81 E HN 0.129 nan 8.360 nan 0.000 0.449 82 A N 0.499 123.240 122.820 -0.132 0.000 1.933 82 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 82 A C 2.094 179.725 177.584 0.079 0.000 1.175 82 A CA 1.279 53.181 52.037 -0.226 0.000 0.628 82 A CB -0.801 17.727 19.000 -0.786 0.000 0.814 82 A HN 0.330 nan 8.150 nan 0.000 0.444 83 F N 0.955 120.993 119.950 0.146 0.000 2.102 83 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 83 F C 2.207 178.090 175.800 0.139 0.000 1.105 83 F CA 2.241 60.434 58.000 0.322 0.000 1.239 83 F CB -0.234 38.966 39.000 0.334 0.000 0.991 83 F HN 0.326 nan 8.300 nan 0.000 0.474 84 E N 0.820 121.127 120.200 0.178 0.000 2.110 84 E HA -0.156 4.193 4.350 -0.000 0.000 0.193 84 E C 2.068 178.667 176.600 -0.001 0.000 0.988 84 E CA 1.457 57.898 56.400 0.068 0.000 0.804 84 E CB -0.591 29.178 29.700 0.116 0.000 0.745 84 E HN 0.420 nan 8.360 nan 0.000 0.458 85 A N 0.514 123.325 122.820 -0.015 0.000 1.877 85 A HA -0.113 4.206 4.320 -0.000 0.000 0.216 85 A C 2.186 179.719 177.584 -0.084 0.000 1.186 85 A CA 1.537 53.552 52.037 -0.035 0.000 0.620 85 A CB -0.857 18.121 19.000 -0.037 0.000 0.822 85 A HN 0.396 nan 8.150 nan 0.000 0.443 86 L N -1.642 119.492 121.223 -0.149 0.000 2.017 86 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 86 L C 2.266 178.928 176.870 -0.345 0.000 1.073 86 L CA 2.311 56.995 54.840 -0.259 0.000 0.745 86 L CB -1.149 40.660 42.059 -0.417 0.000 0.894 86 L HN 0.506 nan 8.230 nan 0.000 0.432 87 Y N 0.079 120.064 120.300 -0.525 0.000 2.151 87 Y HA -0.309 4.240 4.550 -0.000 0.000 0.284 87 Y C 2.579 178.306 175.900 -0.288 0.000 1.166 87 Y CA 2.194 59.998 58.100 -0.494 0.000 1.163 87 Y CB -0.152 37.966 38.460 -0.570 0.000 0.974 87 Y HN 0.337 nan 8.280 nan 0.000 0.511 88 Q N 0.206 119.920 119.800 -0.143 0.000 2.119 88 Q HA -0.164 4.176 4.340 -0.000 0.000 0.201 88 Q C 2.337 178.242 176.000 -0.160 0.000 0.972 88 Q CA 1.618 57.342 55.803 -0.132 0.000 0.847 88 Q CB -0.377 28.353 28.738 -0.015 0.000 0.903 88 Q HN 0.567 nan 8.270 nan 0.000 0.433 89 R N -0.220 120.197 120.500 -0.138 0.000 2.081 89 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 89 R C 2.425 178.665 176.300 -0.100 0.000 1.131 89 R CA 1.335 57.416 56.100 -0.032 0.000 0.960 89 R CB -0.380 29.968 30.300 0.080 0.000 0.856 89 R HN 0.064 nan 8.270 nan 0.000 0.436 90 V N 1.093 120.729 119.914 -0.464 0.000 2.295 90 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 90 V C 2.476 178.405 176.094 -0.274 0.000 1.049 90 V CA 1.990 63.931 62.300 -0.598 0.000 1.024 90 V CB -0.548 30.786 31.823 -0.815 0.000 0.648 90 V HN 0.293 nan 8.190 nan 0.000 0.447 91 V N -1.891 117.768 119.914 -0.424 0.000 2.626 91 V HA -0.252 3.868 4.120 -0.000 0.000 0.252 91 V C 2.146 178.145 176.094 -0.159 0.000 1.067 91 V CA 1.728 63.829 62.300 -0.332 0.000 1.081 91 V CB -0.964 30.570 31.823 -0.481 0.000 0.686 91 V HN 0.532 nan 8.190 nan 0.000 0.468 92 Q N -0.559 119.184 119.800 -0.094 0.000 2.079 92 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 92 Q C 2.162 178.183 176.000 0.035 0.000 0.974 92 Q CA 2.158 57.956 55.803 -0.009 0.000 0.840 92 Q CB -0.381 28.374 28.738 0.030 0.000 0.898 92 Q HN 0.851 nan 8.270 nan 0.000 0.430 93 Y N 0.994 121.285 120.300 -0.016 0.000 2.181 93 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 93 Y C 1.721 177.629 175.900 0.013 0.000 1.146 93 Y CA 1.322 59.453 58.100 0.052 0.000 1.164 93 Y CB -0.166 38.416 38.460 0.203 0.000 0.982 93 Y HN -0.001 nan 8.280 nan 0.000 0.515 94 L N -0.792 120.345 121.223 -0.144 0.000 2.093 94 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 94 L C 2.469 179.216 176.870 -0.204 0.000 1.085 94 L CA 1.390 56.098 54.840 -0.220 0.000 0.755 94 L CB -0.656 41.353 42.059 -0.084 0.000 0.904 94 L HN 0.131 nan 8.230 nan 0.000 0.435 95 S N -0.246 115.367 115.700 -0.145 0.000 2.419 95 S HA -0.187 4.283 4.470 -0.000 0.000 0.235 95 S C 1.618 176.153 174.600 -0.110 0.000 1.019 95 S CA 1.120 59.259 58.200 -0.102 0.000 0.982 95 S CB -0.246 62.926 63.200 -0.047 0.000 0.789 95 S HN 0.479 nan 8.310 nan 0.000 0.490 96 E N 0.786 120.893 120.200 -0.155 0.000 2.478 96 E HA -0.034 4.316 4.350 -0.000 0.000 0.198 96 E C 0.902 177.406 176.600 -0.160 0.000 1.046 96 E CA 0.346 56.660 56.400 -0.145 0.000 0.870 96 E CB 0.131 29.739 29.700 -0.154 0.000 0.818 96 E HN 0.529 nan 8.360 nan 0.000 0.527 97 R N -0.087 120.300 120.500 -0.188 0.000 2.831 97 R HA 0.321 4.661 4.340 -0.000 0.000 0.266 97 R C -1.194 175.045 176.300 -0.102 0.000 1.051 97 R CA -0.974 55.041 56.100 -0.142 0.000 0.943 97 R CB 0.543 30.736 30.300 -0.178 0.000 1.228 97 R HN -0.289 nan 8.270 nan 0.000 0.467 98 D N 1.047 121.419 120.400 -0.047 0.000 2.525 98 D HA 0.170 4.810 4.640 -0.000 0.000 0.235 98 D C -0.296 175.984 176.300 -0.034 0.000 1.137 98 D CA 0.558 54.532 54.000 -0.044 0.000 0.868 98 D CB 0.543 41.409 40.800 0.110 0.000 1.180 98 D HN 0.258 nan 8.370 nan 0.000 0.465 99 L N 2.165 123.282 121.223 -0.177 0.000 2.354 99 L HA 0.426 4.766 4.340 -0.000 0.000 0.269 99 L C -0.916 175.794 176.870 -0.268 0.000 1.005 99 L CA -1.025 53.740 54.840 -0.124 0.000 0.819 99 L CB 1.340 43.301 42.059 -0.164 0.000 1.311 99 L HN 0.283 nan 8.230 nan 0.000 0.423 100 Y N 1.294 121.604 120.300 0.017 0.000 2.341 100 Y HA 0.586 5.135 4.550 -0.000 0.000 0.338 100 Y C -0.191 175.624 175.900 -0.142 0.000 0.965 100 Y CA -0.814 57.293 58.100 0.012 0.000 1.108 100 Y CB 2.126 40.628 38.460 0.070 0.000 1.180 100 Y HN 0.102 nan 8.280 nan 0.000 0.458 101 V N 3.939 123.754 119.914 -0.165 0.000 2.628 101 V HA 0.511 4.630 4.120 -0.000 0.000 0.306 101 V C -0.709 175.319 176.094 -0.109 0.000 1.045 101 V CA -0.915 61.215 62.300 -0.284 0.000 0.905 101 V CB 1.905 33.222 31.823 -0.843 0.000 0.997 101 V HN 0.604 nan 8.190 nan 0.000 0.436 102 Q N 2.212 121.964 119.800 -0.081 0.000 2.274 102 Q HA 0.407 4.747 4.340 -0.000 0.000 0.268 102 Q C -1.739 174.169 176.000 -0.154 0.000 1.015 102 Q CA -0.627 55.141 55.803 -0.058 0.000 0.775 102 Q CB 2.668 31.399 28.738 -0.012 0.000 1.256 102 Q HN 0.686 nan 8.270 nan 0.000 0.442 103 D N 3.606 123.827 120.400 -0.298 0.000 2.317 103 D HA 0.524 5.164 4.640 -0.000 0.000 0.234 103 D C -0.010 175.933 176.300 -0.595 0.000 1.112 103 D CA 0.036 53.538 54.000 -0.830 0.000 0.840 103 D CB 1.074 40.995 40.800 -1.464 0.000 1.078 103 D HN 0.313 nan 8.370 nan 0.000 0.486 104 L N 1.370 122.370 121.223 -0.373 0.000 2.301 104 L HA 0.547 4.886 4.340 -0.000 0.000 0.249 104 L C -1.065 175.764 176.870 -0.067 0.000 1.069 104 L CA -1.133 53.666 54.840 -0.069 0.000 0.865 104 L CB 1.377 43.469 42.059 0.056 0.000 1.467 104 L HN 0.196 nan 8.230 nan 0.000 0.419 105 Y N -0.139 120.319 120.300 0.263 0.000 2.499 105 Y HA 0.721 5.271 4.550 -0.000 0.000 0.347 105 Y C -0.126 175.905 175.900 0.218 0.000 0.987 105 Y CA -0.794 57.464 58.100 0.262 0.000 1.044 105 Y CB 2.294 40.992 38.460 0.397 0.000 1.245 105 Y HN 0.506 nan 8.280 nan 0.000 0.461 106 A N 1.825 124.822 122.820 0.295 0.000 2.318 106 A HA 0.769 5.089 4.320 -0.000 0.000 0.317 106 A C -0.042 177.718 177.584 0.293 0.000 1.159 106 A CA -0.178 52.001 52.037 0.237 0.000 0.799 106 A CB 0.349 19.358 19.000 0.015 0.000 1.194 106 A HN 1.480 nan 8.150 nan 0.000 0.479 107 G N 0.680 109.738 108.800 0.429 0.000 3.373 107 G HA2 0.350 4.310 3.960 -0.000 0.000 0.685 107 G HA3 0.350 4.310 3.960 -0.000 0.000 0.685 107 G C 0.489 175.709 174.900 0.534 0.000 1.166 107 G CA -0.089 45.369 45.100 0.597 0.000 1.063 107 G HN 1.965 nan 8.290 nan 0.000 0.481 108 A N 1.725 124.901 122.820 0.593 0.000 2.066 108 A HA 0.228 4.548 4.320 -0.000 0.000 0.218 108 A C 1.281 179.065 177.584 0.334 0.000 1.157 108 A CA 1.711 54.002 52.037 0.423 0.000 0.670 108 A CB 0.074 19.265 19.000 0.319 0.000 0.804 108 A HN 0.870 nan 8.150 nan 0.000 0.453 109 D N -0.130 120.293 120.400 0.039 0.000 2.352 109 D HA 0.119 4.759 4.640 -0.000 0.000 0.245 109 D C 1.209 177.425 176.300 -0.141 0.000 1.224 109 D CA -0.259 53.647 54.000 -0.155 0.000 0.879 109 D CB 0.309 40.744 40.800 -0.608 0.000 1.057 109 D HN 0.283 nan 8.370 nan 0.000 0.491 110 R N 3.545 124.023 120.500 -0.036 0.000 2.153 110 R HA -0.240 4.099 4.340 -0.000 0.000 0.252 110 R C 2.038 178.127 176.300 -0.351 0.000 1.158 110 R CA 1.586 57.506 56.100 -0.300 0.000 0.975 110 R CB 0.043 30.239 30.300 -0.173 0.000 0.871 110 R HN 0.431 nan 8.270 nan 0.000 0.450 111 R N -0.865 119.425 120.500 -0.350 0.000 2.120 111 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 111 R C 0.774 176.677 176.300 -0.662 0.000 1.123 111 R CA 1.623 57.402 56.100 -0.536 0.000 0.975 111 R CB 0.029 29.907 30.300 -0.704 0.000 0.866 111 R HN 0.330 nan 8.270 nan 0.000 0.446 112 Y N 0.369 120.535 120.300 -0.224 0.000 2.481 112 Y HA 0.210 4.760 4.550 -0.000 0.000 0.247 112 Y C 0.058 175.906 175.900 -0.087 0.000 1.151 112 Y CA -0.628 57.387 58.100 -0.141 0.000 1.238 112 Y CB 0.182 38.558 38.460 -0.140 0.000 1.179 112 Y HN -0.007 nan 8.280 nan 0.000 0.524 113 R N 1.186 121.667 120.500 -0.032 0.000 2.697 113 R HA 0.185 4.525 4.340 -0.000 0.000 0.265 113 R C -0.693 175.673 176.300 0.110 0.000 1.009 113 R CA -0.298 55.829 56.100 0.044 0.000 1.099 113 R CB 0.417 30.622 30.300 -0.158 0.000 0.965 113 R HN 0.150 nan 8.270 nan 0.000 0.428 114 L N 2.289 123.613 121.223 0.168 0.000 2.313 114 L HA 0.487 4.826 4.340 -0.000 0.000 0.283 114 L C -0.692 176.248 176.870 0.117 0.000 1.013 114 L CA -0.499 54.410 54.840 0.115 0.000 0.816 114 L CB 1.609 43.696 42.059 0.047 0.000 1.236 114 L HN 0.883 nan 8.230 nan 0.000 0.419 115 A N 5.454 128.266 122.820 -0.014 0.000 2.396 115 A HA 0.591 4.911 4.320 -0.000 0.000 0.279 115 A C -0.619 176.938 177.584 -0.045 0.000 1.165 115 A CA -0.326 51.530 52.037 -0.302 0.000 0.824 115 A CB -0.038 18.502 19.000 -0.766 0.000 1.100 115 A HN 0.586 nan 8.150 nan 0.000 0.516 116 V N 4.101 124.044 119.914 0.047 0.000 2.409 116 V HA 0.458 4.578 4.120 -0.000 0.000 0.291 116 V C 0.358 176.512 176.094 0.101 0.000 1.020 116 V CA -0.628 61.691 62.300 0.031 0.000 0.848 116 V CB 1.376 33.065 31.823 -0.222 0.000 0.990 116 V HN 0.967 nan 8.190 nan 0.000 0.430 117 R N 3.898 124.485 120.500 0.146 0.000 2.294 117 R HA 0.710 5.050 4.340 -0.000 0.000 0.319 117 R C -1.532 174.786 176.300 0.029 0.000 0.984 117 R CA -0.354 55.806 56.100 0.099 0.000 0.861 117 R CB 1.636 32.054 30.300 0.196 0.000 1.104 117 R HN 0.526 nan 8.270 nan 0.000 0.451 118 V N 5.631 125.534 119.914 -0.018 0.000 2.417 118 V HA 0.368 4.488 4.120 -0.000 0.000 0.291 118 V C -0.548 175.533 176.094 -0.021 0.000 1.024 118 V CA -0.716 61.579 62.300 -0.008 0.000 0.861 118 V CB 1.752 33.573 31.823 -0.003 0.000 0.985 118 V HN 0.544 nan 8.190 nan 0.000 0.436 119 V N 4.290 124.206 119.914 0.002 0.000 2.409 119 V HA 0.740 4.860 4.120 -0.000 0.000 0.291 119 V C 0.022 176.150 176.094 0.058 0.000 1.020 119 V CA -0.131 62.158 62.300 -0.017 0.000 0.848 119 V CB 1.809 33.608 31.823 -0.041 0.000 0.990 119 V HN 0.971 nan 8.190 nan 0.000 0.430 120 T N 1.960 116.572 114.554 0.096 0.000 2.843 120 T HA 0.385 4.734 4.350 -0.000 0.000 0.302 120 T C 0.512 175.349 174.700 0.228 0.000 1.232 120 T CA -0.058 62.150 62.100 0.179 0.000 1.009 120 T CB 2.220 71.214 68.868 0.209 0.000 1.254 120 T HN 0.861 nan 8.240 nan 0.000 0.504 121 E N 0.595 120.931 120.200 0.226 0.000 2.474 121 E HA 0.264 4.614 4.350 -0.000 0.000 0.194 121 E C 0.441 177.224 176.600 0.305 0.000 1.041 121 E CA -0.256 56.308 56.400 0.274 0.000 0.874 121 E CB 0.374 30.216 29.700 0.237 0.000 0.914 121 E HN 0.232 nan 8.360 nan 0.000 0.498 122 S N 1.535 117.364 115.700 0.215 0.000 2.429 122 S HA 0.243 4.712 4.470 -0.000 0.000 0.302 122 S C -1.915 172.567 174.600 -0.197 0.000 1.115 122 S CA -2.116 56.164 58.200 0.134 0.000 1.095 122 S CB 1.223 64.593 63.200 0.282 0.000 0.987 122 S HN -0.128 nan 8.310 nan 0.000 0.474 123 P HA -0.072 nan 4.420 nan 0.000 0.215 123 P C 1.658 178.777 177.300 -0.302 0.000 1.157 123 P CA 1.140 63.776 63.100 -0.774 0.000 0.868 123 P CB -0.224 31.127 31.700 -0.582 0.000 0.788 124 W N -0.386 120.821 121.300 -0.156 0.000 2.519 124 W HA -0.057 4.603 4.660 -0.000 0.000 0.266 124 W C 1.198 177.635 176.519 -0.136 0.000 1.253 124 W CA 0.619 57.879 57.345 -0.141 0.000 1.274 124 W CB -1.800 27.575 29.460 -0.142 0.000 1.114 124 W HN 0.117 nan 8.180 nan 0.000 0.596 125 H N 1.508 119.824 119.070 -1.257 0.000 2.389 125 H HA -0.002 4.553 4.556 -0.000 0.000 0.299 125 H C 2.677 177.755 175.328 -0.416 0.000 1.081 125 H CA 2.751 58.139 56.048 -1.100 0.000 1.345 125 H CB -0.281 28.935 29.762 -0.909 0.000 1.393 125 H HN 0.192 nan 8.280 nan 0.000 0.520 126 A N 0.483 123.192 122.820 -0.186 0.000 1.930 126 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 126 A C 2.176 179.729 177.584 -0.052 0.000 1.175 126 A CA 1.196 53.188 52.037 -0.076 0.000 0.627 126 A CB -0.556 18.413 19.000 -0.051 0.000 0.815 126 A HN 0.363 nan 8.150 nan 0.000 0.443 127 L N -1.325 119.863 121.223 -0.059 0.000 2.093 127 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 127 L C 2.137 178.993 176.870 -0.023 0.000 1.085 127 L CA 2.168 56.994 54.840 -0.024 0.000 0.755 127 L CB -0.834 41.234 42.059 0.015 0.000 0.904 127 L HN 0.438 nan 8.230 nan 0.000 0.435 128 F N 0.569 120.431 119.950 -0.146 0.000 2.095 128 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 128 F C 2.291 177.947 175.800 -0.240 0.000 1.104 128 F CA 1.870 59.760 58.000 -0.182 0.000 1.232 128 F CB -0.716 38.124 39.000 -0.267 0.000 0.987 128 F HN 0.143 nan 8.300 nan 0.000 0.475 129 A N 0.561 123.283 122.820 -0.163 0.000 1.908 129 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 129 A C 2.372 179.855 177.584 -0.168 0.000 1.181 129 A CA 1.820 53.764 52.037 -0.155 0.000 0.627 129 A CB -0.963 18.126 19.000 0.148 0.000 0.818 129 A HN 0.493 nan 8.150 nan 0.000 0.445 130 R N -0.433 120.002 120.500 -0.108 0.000 2.096 130 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 130 R C 1.935 178.134 176.300 -0.168 0.000 1.139 130 R CA 1.942 57.996 56.100 -0.077 0.000 0.952 130 R CB -0.273 29.996 30.300 -0.051 0.000 0.854 130 R HN 0.566 nan 8.270 nan 0.000 0.436 131 N N 0.096 118.624 118.700 -0.287 0.000 2.106 131 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 131 N C 1.594 176.814 175.510 -0.483 0.000 1.029 131 N CA 1.394 54.237 53.050 -0.345 0.000 0.848 131 N CB -0.247 38.017 38.487 -0.372 0.000 1.007 131 N HN 0.154 nan 8.380 nan 0.000 0.423 132 M N -0.519 118.587 119.600 -0.823 0.000 2.175 132 M HA 0.032 4.512 4.480 -0.000 0.000 0.264 132 M C -0.112 175.648 176.300 -0.900 0.000 1.063 132 M CA 1.177 55.831 55.300 -1.077 0.000 1.119 132 M CB -0.009 31.513 32.600 -1.797 0.000 1.377 132 M HN -0.084 nan 8.290 nan 0.000 0.415 133 F N -1.053 118.769 119.950 -0.213 0.000 2.476 133 F HA 0.494 5.021 4.527 -0.000 0.000 0.358 133 F C 0.067 175.864 175.800 -0.005 0.000 1.091 133 F CA -1.233 56.724 58.000 -0.071 0.000 1.131 133 F CB -0.014 38.966 39.000 -0.032 0.000 1.653 133 F HN -0.347 nan 8.300 nan 0.000 0.518 134 I N 1.809 122.588 120.570 0.348 0.000 2.355 134 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 134 I C -0.822 175.482 176.117 0.313 0.000 0.999 134 I CA -0.428 61.028 61.300 0.260 0.000 1.163 134 I CB 1.046 39.230 38.000 0.307 0.000 1.316 134 I HN 0.162 nan 8.210 nan 0.000 0.454 135 L N 8.024 129.354 121.223 0.178 0.000 2.485 135 L HA 0.094 4.434 4.340 -0.000 0.000 0.275 135 L C -1.326 175.722 176.870 0.296 0.000 1.207 135 L CA -1.128 53.826 54.840 0.191 0.000 0.855 135 L CB 0.262 42.379 42.059 0.096 0.000 1.114 135 L HN 0.364 nan 8.230 nan 0.000 0.485 136 P HA -0.194 nan 4.420 nan 0.000 0.215 136 P C 1.293 178.781 177.300 0.313 0.000 1.153 136 P CA 1.237 64.652 63.100 0.526 0.000 0.853 136 P CB -0.012 31.968 31.700 0.466 0.000 0.788 137 R N 0.012 120.621 120.500 0.181 0.000 2.249 137 R HA -0.098 4.242 4.340 -0.000 0.000 0.230 137 R C 1.907 178.227 176.300 0.033 0.000 1.121 137 R CA 1.233 57.395 56.100 0.105 0.000 0.997 137 R CB -0.742 29.603 30.300 0.075 0.000 0.867 137 R HN 0.162 nan 8.270 nan 0.000 0.465 138 R N -0.276 120.192 120.500 -0.053 0.000 2.235 138 R HA 0.016 4.356 4.340 -0.000 0.000 0.213 138 R C 0.515 176.613 176.300 -0.337 0.000 1.059 138 R CA 0.798 56.760 56.100 -0.231 0.000 0.997 138 R CB 0.062 30.139 30.300 -0.372 0.000 0.884 138 R HN 0.251 nan 8.270 nan 0.000 0.462 139 F N -0.333 119.609 119.950 -0.013 0.000 2.660 139 F HA 0.320 4.847 4.527 -0.000 0.000 0.302 139 F C 1.091 176.875 175.800 -0.028 0.000 1.103 139 F CA 0.271 58.237 58.000 -0.055 0.000 1.340 139 F CB 0.879 39.787 39.000 -0.154 0.000 1.048 139 F HN 0.049 nan 8.300 nan 0.000 0.551 148 F N 0.913 120.891 119.950 0.045 0.000 2.539 148 F HA 0.637 5.164 4.527 -0.000 0.000 0.328 148 F C -1.091 174.726 175.800 0.028 0.000 1.148 148 F CA -0.591 57.439 58.000 0.051 0.000 0.940 148 F CB 2.082 41.111 39.000 0.049 0.000 1.194 148 F HN 0.336 nan 8.300 nan 0.000 0.438 149 V N 7.628 127.266 119.914 -0.460 0.000 2.328 149 V HA 0.355 4.474 4.120 -0.000 0.000 0.278 149 V C -2.077 173.711 176.094 -0.510 0.000 1.021 149 V CA -1.841 60.273 62.300 -0.311 0.000 0.838 149 V CB 0.954 32.672 31.823 -0.173 0.000 0.999 149 V HN 0.626 nan 8.190 nan 0.000 0.447 150 P HA 0.132 nan 4.420 nan 0.000 0.264 150 P C 0.925 178.156 177.300 -0.115 0.000 1.183 150 P CA 0.345 63.364 63.100 -0.135 0.000 0.763 150 P CB 0.845 32.600 31.700 0.092 0.000 0.807 151 G N 1.066 109.823 108.800 -0.070 0.000 2.833 151 G HA2 0.208 4.168 3.960 -0.000 0.000 0.210 151 G HA3 0.208 4.168 3.960 -0.000 0.000 0.210 151 G C -0.378 174.602 174.900 0.134 0.000 1.139 151 G CA 0.299 45.411 45.100 0.019 0.000 0.771 151 G HN 0.437 nan 8.290 nan 0.000 0.535 152 F N -0.243 119.694 119.950 -0.022 0.000 2.688 152 F HA 0.494 5.021 4.527 -0.000 0.000 0.308 152 F C -1.129 174.668 175.800 -0.005 0.000 1.117 152 F CA -0.600 57.393 58.000 -0.012 0.000 0.976 152 F CB 1.977 40.965 39.000 -0.019 0.000 1.291 152 F HN -0.157 nan 8.300 nan 0.000 0.439 153 T N 3.101 117.758 114.554 0.172 0.000 2.876 153 T HA 0.628 4.977 4.350 -0.000 0.000 0.289 153 T C -1.417 173.390 174.700 0.179 0.000 1.014 153 T CA -0.647 61.540 62.100 0.144 0.000 0.986 153 T CB 2.001 70.918 68.868 0.081 0.000 1.021 153 T HN 0.291 nan 8.240 nan 0.000 0.458 154 V N 3.365 123.356 119.914 0.128 0.000 2.347 154 V HA 0.368 4.488 4.120 -0.000 0.000 0.280 154 V C -0.181 175.986 176.094 0.121 0.000 1.021 154 V CA -0.703 61.670 62.300 0.122 0.000 0.847 154 V CB 1.468 33.331 31.823 0.066 0.000 0.990 154 V HN 0.729 nan 8.190 nan 0.000 0.444 155 V N 5.355 125.360 119.914 0.152 0.000 2.318 155 V HA 0.316 4.435 4.120 -0.000 0.000 0.271 155 V C 0.067 176.234 176.094 0.121 0.000 1.030 155 V CA -0.446 61.925 62.300 0.119 0.000 0.844 155 V CB 0.669 32.571 31.823 0.131 0.000 1.015 155 V HN 0.852 nan 8.190 nan 0.000 0.460 156 H N 4.910 123.971 119.070 -0.015 0.000 2.595 156 H HA 0.668 5.224 4.556 -0.000 0.000 0.313 156 H C -0.466 174.840 175.328 -0.036 0.000 1.023 156 H CA -0.437 55.580 56.048 -0.051 0.000 1.218 156 H CB 1.704 31.413 29.762 -0.087 0.000 1.403 156 H HN 0.659 nan 8.280 nan 0.000 0.477 157 A N 7.835 130.463 122.820 -0.321 0.000 3.030 157 A HA 0.275 4.594 4.320 -0.000 0.000 0.335 157 A C -2.121 175.304 177.584 -0.265 0.000 1.089 157 A CA -1.225 50.721 52.037 -0.153 0.000 0.807 157 A CB 0.598 19.597 19.000 -0.002 0.000 1.099 157 A HN 0.589 nan 8.150 nan 0.000 0.474 158 P HA -0.180 nan 4.420 nan 0.000 0.222 158 P C 0.596 177.688 177.300 -0.347 0.000 1.147 158 P CA 1.425 64.224 63.100 -0.502 0.000 0.790 158 P CB 0.030 31.312 31.700 -0.697 0.000 0.780 159 Y N -1.696 118.590 120.300 -0.023 0.000 2.517 159 Y HA 0.152 4.702 4.550 -0.000 0.000 0.281 159 Y C 1.344 177.178 175.900 -0.110 0.000 1.125 159 Y CA -0.324 57.788 58.100 0.020 0.000 1.283 159 Y CB -0.637 37.905 38.460 0.136 0.000 1.042 159 Y HN -0.167 nan 8.280 nan 0.000 0.547 160 F N 2.672 122.439 119.950 -0.304 0.000 2.506 160 F HA 0.208 4.735 4.527 -0.000 0.000 0.371 160 F C -0.073 175.568 175.800 -0.264 0.000 1.078 160 F CA -0.924 56.753 58.000 -0.538 0.000 1.195 160 F CB 0.424 39.005 39.000 -0.699 0.000 1.099 160 F HN -0.093 nan 8.300 nan 0.000 0.548 161 Q N 5.849 125.312 119.800 -0.562 0.000 2.278 161 Q HA 0.492 4.832 4.340 -0.000 0.000 0.257 161 Q C -0.227 175.555 176.000 -0.363 0.000 0.928 161 Q CA -0.593 55.035 55.803 -0.292 0.000 0.932 161 Q CB 1.579 30.185 28.738 -0.219 0.000 1.221 161 Q HN 0.813 nan 8.270 nan 0.000 0.434 162 A N 2.363 125.179 122.820 -0.007 0.000 2.340 162 A HA 0.509 4.829 4.320 -0.000 0.000 0.268 162 A C -0.239 177.337 177.584 -0.013 0.000 1.100 162 A CA -0.475 51.609 52.037 0.078 0.000 0.803 162 A CB 0.715 19.795 19.000 0.134 0.000 1.043 162 A HN 0.467 nan 8.150 nan 0.000 0.488 163 V N 4.507 124.411 119.914 -0.016 0.000 2.326 163 V HA 0.221 4.341 4.120 -0.000 0.000 0.281 163 V C -1.791 174.308 176.094 0.007 0.000 1.015 163 V CA -0.981 61.307 62.300 -0.020 0.000 0.823 163 V CB 1.306 33.101 31.823 -0.046 0.000 1.009 163 V HN 0.790 nan 8.190 nan 0.000 0.436 164 P HA -0.195 nan 4.420 nan 0.000 0.215 164 P C 1.474 178.787 177.300 0.023 0.000 1.163 164 P CA 1.539 64.664 63.100 0.041 0.000 0.894 164 P CB 0.402 32.134 31.700 0.054 0.000 0.791 165 E N -1.086 119.121 120.200 0.012 0.000 2.118 165 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 165 E C 2.272 178.868 176.600 -0.007 0.000 0.992 165 E CA 0.825 57.227 56.400 0.002 0.000 0.804 165 E CB -0.255 29.445 29.700 -0.001 0.000 0.741 165 E HN 0.181 nan 8.360 nan 0.000 0.458 166 R N 0.472 120.967 120.500 -0.009 0.000 2.112 166 R HA -0.077 4.263 4.340 -0.000 0.000 0.216 166 R C 0.832 177.123 176.300 -0.015 0.000 1.080 166 R CA 1.185 57.278 56.100 -0.013 0.000 0.996 166 R CB 0.387 30.679 30.300 -0.014 0.000 0.902 166 R HN 0.054 nan 8.270 nan 0.000 0.449 167 D N -1.197 119.198 120.400 -0.009 0.000 2.392 167 D HA 0.135 4.774 4.640 -0.000 0.000 0.206 167 D C 0.848 177.152 176.300 0.007 0.000 1.046 167 D CA 0.967 54.959 54.000 -0.014 0.000 0.865 167 D CB 0.886 41.670 40.800 -0.027 0.000 0.969 167 D HN 0.449 nan 8.370 nan 0.000 0.509 168 G N 1.763 110.570 108.800 0.012 0.000 2.137 168 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.237 168 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.237 168 G C 0.616 175.601 174.900 0.141 0.000 1.002 168 G CA 0.792 45.903 45.100 0.019 0.000 0.702 168 G HN 0.480 nan 8.290 nan 0.000 0.515 169 T N -3.386 111.238 114.554 0.117 0.000 2.849 169 T HA 0.644 4.994 4.350 -0.000 0.000 0.276 169 T C 1.289 176.104 174.700 0.192 0.000 0.971 169 T CA 0.178 62.359 62.100 0.135 0.000 0.949 169 T CB 1.940 70.856 68.868 0.081 0.000 1.093 169 T HN 0.248 nan 8.240 nan 0.000 0.545 170 R N -0.148 120.529 120.500 0.295 0.000 2.100 170 R HA 0.124 4.464 4.340 -0.000 0.000 0.220 170 R C 0.861 177.266 176.300 0.175 0.000 1.091 170 R CA 0.974 57.225 56.100 0.251 0.000 0.986 170 R CB -0.077 30.406 30.300 0.306 0.000 0.888 170 R HN 0.861 nan 8.270 nan 0.000 0.444 171 S N -1.549 114.258 115.700 0.180 0.000 2.880 171 S HA 0.048 4.518 4.470 -0.000 0.000 0.308 171 S C 0.588 175.262 174.600 0.124 0.000 1.195 171 S CA -0.581 57.700 58.200 0.135 0.000 0.866 171 S CB 0.997 64.278 63.200 0.136 0.000 1.254 171 S HN 0.298 nan 8.310 nan 0.000 0.571 172 E N 0.003 120.267 120.200 0.107 0.000 2.347 172 E HA 0.063 4.412 4.350 -0.000 0.000 0.196 172 E C 0.007 176.658 176.600 0.085 0.000 1.008 172 E CA 0.668 57.119 56.400 0.084 0.000 0.852 172 E CB -0.199 29.550 29.700 0.082 0.000 0.783 172 E HN 0.330 nan 8.360 nan 0.000 0.505 173 V N 1.483 121.433 119.914 0.060 0.000 2.567 173 V HA 0.360 4.480 4.120 -0.000 0.000 0.289 173 V C -0.750 175.438 176.094 0.156 0.000 1.049 173 V CA -0.438 61.855 62.300 -0.011 0.000 0.969 173 V CB 0.814 32.496 31.823 -0.236 0.000 0.995 173 V HN 0.251 nan 8.190 nan 0.000 0.471 174 F N 4.145 124.074 119.950 -0.036 0.000 2.630 174 F HA 0.637 5.164 4.527 -0.000 0.000 0.325 174 F C -1.001 174.801 175.800 0.003 0.000 1.184 174 F CA -0.529 57.473 58.000 0.003 0.000 1.011 174 F CB 1.732 40.688 39.000 -0.074 0.000 1.268 174 F HN 0.205 nan 8.300 nan 0.000 0.480 175 V N 5.805 125.344 119.914 -0.624 0.000 2.340 175 V HA 0.710 4.830 4.120 -0.000 0.000 0.277 175 V C 0.105 175.790 176.094 -0.682 0.000 1.017 175 V CA -0.383 61.648 62.300 -0.448 0.000 0.820 175 V CB 1.101 32.802 31.823 -0.203 0.000 1.028 175 V HN 0.972 nan 8.190 nan 0.000 0.436 176 G N 4.464 112.878 108.800 -0.644 0.000 2.448 176 G HA2 0.831 4.791 3.960 -0.000 0.000 0.324 176 G HA3 0.831 4.791 3.960 -0.000 0.000 0.324 176 G C -1.079 173.804 174.900 -0.027 0.000 1.203 176 G CA -0.614 44.298 45.100 -0.313 0.000 0.954 176 G HN 0.531 nan 8.290 nan 0.000 0.480 177 I N 0.858 121.346 120.570 -0.136 0.000 2.465 177 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 177 I C -0.152 175.689 176.117 -0.459 0.000 1.014 177 I CA -0.755 60.370 61.300 -0.291 0.000 1.093 177 I CB 2.391 40.091 38.000 -0.500 0.000 1.267 177 I HN 0.436 nan 8.210 nan 0.000 0.431 178 S N 5.034 120.436 115.700 -0.496 0.000 2.594 178 S HA 0.421 4.891 4.470 -0.000 0.000 0.322 178 S C 0.504 174.878 174.600 -0.377 0.000 1.085 178 S CA -0.477 57.416 58.200 -0.511 0.000 1.116 178 S CB 0.307 63.088 63.200 -0.698 0.000 0.979 178 S HN 0.456 nan 8.310 nan 0.000 0.465 179 F N 2.894 122.770 119.950 -0.123 0.000 2.259 179 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 179 F C 2.505 178.240 175.800 -0.109 0.000 1.088 179 F CA 0.652 58.597 58.000 -0.091 0.000 1.358 179 F CB -0.162 38.650 39.000 -0.312 0.000 1.040 179 F HN 0.486 nan 8.300 nan 0.000 0.505 180 Q N 0.453 120.281 119.800 0.047 0.000 2.123 180 Q HA -0.036 4.303 4.340 -0.000 0.000 0.199 180 Q C 1.941 177.888 176.000 -0.088 0.000 0.966 180 Q CA 1.493 57.300 55.803 0.007 0.000 0.845 180 Q CB -0.095 28.651 28.738 0.014 0.000 0.907 180 Q HN 0.251 nan 8.270 nan 0.000 0.439 181 R N -0.552 119.846 120.500 -0.169 0.000 2.297 181 R HA 0.233 4.573 4.340 -0.000 0.000 0.197 181 R C -0.105 175.993 176.300 -0.337 0.000 0.943 181 R CA 0.107 56.082 56.100 -0.208 0.000 1.038 181 R CB 0.237 30.418 30.300 -0.199 0.000 0.957 181 R HN 0.100 nan 8.270 nan 0.000 0.484 182 R N 0.534 120.716 120.500 -0.529 0.000 3.422 182 R HA -0.165 4.175 4.340 -0.000 0.000 0.267 182 R C -1.000 174.616 176.300 -1.140 0.000 1.074 182 R CA 0.456 55.819 56.100 -1.228 0.000 0.718 182 R CB -1.914 27.861 30.300 -0.874 0.000 1.157 182 R HN 0.184 nan 8.270 nan 0.000 0.440 183 L N -0.512 120.377 121.223 -0.557 0.000 2.323 183 L HA 0.753 5.092 4.340 -0.000 0.000 0.265 183 L C -0.055 176.901 176.870 0.143 0.000 1.012 183 L CA -1.302 53.474 54.840 -0.108 0.000 0.820 183 L CB 2.411 44.459 42.059 -0.018 0.000 1.334 183 L HN -0.222 nan 8.230 nan 0.000 0.427 184 V N 2.716 122.768 119.914 0.230 0.000 2.483 184 V HA 0.407 4.527 4.120 -0.000 0.000 0.297 184 V C -0.874 175.354 176.094 0.224 0.000 1.027 184 V CA -0.460 61.954 62.300 0.189 0.000 0.855 184 V CB 2.166 34.071 31.823 0.136 0.000 0.995 184 V HN 0.417 nan 8.190 nan 0.000 0.424 185 L N 7.133 128.518 121.223 0.271 0.000 2.305 185 L HA 0.696 5.036 4.340 -0.000 0.000 0.284 185 L C -0.742 176.232 176.870 0.174 0.000 1.013 185 L CA 0.172 55.176 54.840 0.272 0.000 0.819 185 L CB 1.115 43.416 42.059 0.404 0.000 1.227 185 L HN 0.553 nan 8.230 nan 0.000 0.417 186 I N 6.487 127.124 120.570 0.110 0.000 2.447 186 I HA 0.621 4.791 4.170 -0.000 0.000 0.287 186 I C -0.776 175.319 176.117 -0.038 0.000 1.023 186 I CA -0.861 60.474 61.300 0.059 0.000 1.083 186 I CB 1.934 40.014 38.000 0.133 0.000 1.245 186 I HN 0.489 nan 8.210 nan 0.000 0.434 187 V N 1.631 121.539 119.914 -0.010 0.000 3.114 187 V HA 0.934 5.053 4.120 -0.000 0.000 0.308 187 V C 0.459 176.542 176.094 -0.018 0.000 1.168 187 V CA 0.158 62.435 62.300 -0.039 0.000 1.015 187 V CB 1.446 33.281 31.823 0.019 0.000 1.050 187 V HN 1.005 nan 8.190 nan 0.000 0.433 188 G N 1.196 109.974 108.800 -0.035 0.000 2.267 188 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.257 188 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.257 188 G C 0.505 175.316 174.900 -0.147 0.000 0.998 188 G CA 0.969 46.036 45.100 -0.055 0.000 0.620 188 G HN 1.930 nan 8.290 nan 0.000 0.529 189 T N -0.856 113.583 114.554 -0.193 0.000 2.893 189 T HA 0.638 4.988 4.350 -0.000 0.000 0.293 189 T C 0.828 175.504 174.700 -0.039 0.000 1.027 189 T CA -0.073 61.931 62.100 -0.160 0.000 0.988 189 T CB 1.373 70.067 68.868 -0.291 0.000 1.043 189 T HN 0.141 nan 8.240 nan 0.000 0.461 190 K N 2.511 122.986 120.400 0.125 0.000 2.367 190 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 190 K C -0.104 176.779 176.600 0.473 0.000 1.027 190 K CA -0.255 56.190 56.287 0.263 0.000 1.075 190 K CB 0.144 32.852 32.500 0.346 0.000 0.845 190 K HN 0.587 nan 8.250 nan 0.000 0.529 191 Y N 2.132 122.564 120.300 0.221 0.000 2.745 191 Y HA -0.082 4.468 4.550 -0.000 0.000 0.335 191 Y C 1.330 177.272 175.900 0.069 0.000 1.212 191 Y CA -0.703 57.505 58.100 0.181 0.000 1.535 191 Y CB 0.388 38.934 38.460 0.144 0.000 1.220 191 Y HN 0.102 nan 8.280 nan 0.000 0.531 192 A N 5.132 127.636 122.820 -0.527 0.000 1.978 192 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 192 A C 2.372 179.310 177.584 -1.077 0.000 1.170 192 A CA 1.716 53.127 52.037 -1.044 0.000 0.636 192 A CB -1.380 16.598 19.000 -1.702 0.000 0.810 192 A HN 1.042 nan 8.150 nan 0.000 0.448 193 G N -0.330 107.735 108.800 -1.224 0.000 2.485 193 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.221 193 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.221 193 G C 1.297 176.121 174.900 -0.126 0.000 1.115 193 G CA 0.995 45.736 45.100 -0.599 0.000 0.751 193 G HN 0.565 nan 8.290 nan 0.000 0.567 194 E N 0.261 120.453 120.200 -0.014 0.000 2.204 194 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 194 E C 2.523 179.140 176.600 0.029 0.000 0.990 194 E CA 0.497 56.946 56.400 0.082 0.000 0.821 194 E CB -0.073 29.690 29.700 0.105 0.000 0.750 194 E HN 0.561 nan 8.360 nan 0.000 0.477 195 I N 0.974 121.521 120.570 -0.039 0.000 2.235 195 I HA -0.214 3.956 4.170 -0.000 0.000 0.241 195 I C 2.692 178.912 176.117 0.172 0.000 1.085 195 I CA 0.860 62.187 61.300 0.046 0.000 1.378 195 I CB -0.254 37.760 38.000 0.023 0.000 1.076 195 I HN 0.008 nan 8.210 nan 0.000 0.415 196 K N 1.401 121.876 120.400 0.126 0.000 2.001 196 K HA -0.229 4.091 4.320 -0.000 0.000 0.214 196 K C 2.141 178.790 176.600 0.082 0.000 1.050 196 K CA 1.616 57.953 56.287 0.083 0.000 0.934 196 K CB 0.041 32.451 32.500 -0.149 0.000 0.718 196 K HN 0.049 nan 8.250 nan 0.000 0.443 197 K N 0.636 121.040 120.400 0.008 0.000 2.211 197 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 197 K C 2.249 178.921 176.600 0.120 0.000 1.050 197 K CA 1.443 57.726 56.287 -0.006 0.000 0.945 197 K CB -0.208 32.274 32.500 -0.030 0.000 0.732 197 K HN 0.389 nan 8.250 nan 0.000 0.451 198 S N 0.912 116.673 115.700 0.102 0.000 2.406 198 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 198 S C 1.980 176.589 174.600 0.015 0.000 1.020 198 S CA 0.515 58.751 58.200 0.060 0.000 0.965 198 S CB -0.167 63.050 63.200 0.028 0.000 0.798 198 S HN 0.027 nan 8.310 nan 0.000 0.488 199 I N 0.932 121.531 120.570 0.049 0.000 2.439 199 I HA 0.030 4.200 4.170 -0.000 0.000 0.251 199 I C 2.183 178.345 176.117 0.075 0.000 1.139 199 I CA 0.735 62.021 61.300 -0.024 0.000 1.438 199 I CB -1.306 36.674 38.000 -0.034 0.000 1.085 199 I HN 0.298 nan 8.210 nan 0.000 0.427 200 F N 2.281 122.227 119.950 -0.006 0.000 2.134 200 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 200 F C 2.514 178.350 175.800 0.061 0.000 1.097 200 F CA 1.684 59.700 58.000 0.027 0.000 1.264 200 F CB -0.837 38.103 39.000 -0.100 0.000 1.001 200 F HN 0.000 nan 8.300 nan 0.000 0.479 201 T N 0.228 114.781 114.554 -0.002 0.000 2.746 201 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 201 T C 2.284 177.010 174.700 0.043 0.000 1.039 201 T CA 1.667 63.755 62.100 -0.020 0.000 1.142 201 T CB -0.716 68.205 68.868 0.089 0.000 0.866 201 T HN 0.130 nan 8.240 nan 0.000 0.444 202 V N 1.740 121.637 119.914 -0.028 0.000 2.332 202 V HA -0.176 3.943 4.120 -0.000 0.000 0.248 202 V C 2.574 178.675 176.094 0.012 0.000 1.055 202 V CA 1.398 63.656 62.300 -0.070 0.000 1.038 202 V CB -0.526 30.916 31.823 -0.635 0.000 0.651 202 V HN 0.455 nan 8.190 nan 0.000 0.450 203 M N -0.271 119.289 119.600 -0.067 0.000 2.229 203 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 203 M C 1.805 178.112 176.300 0.012 0.000 1.063 203 M CA 1.459 56.697 55.300 -0.104 0.000 1.114 203 M CB -1.577 30.847 32.600 -0.293 0.000 1.387 203 M HN 0.483 nan 8.290 nan 0.000 0.420 204 N N -1.137 117.568 118.700 0.008 0.000 2.550 204 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 204 N C 1.357 177.002 175.510 0.226 0.000 1.110 204 N CA 0.367 53.462 53.050 0.074 0.000 0.912 204 N CB 0.127 38.511 38.487 -0.170 0.000 0.968 204 N HN 0.324 nan 8.380 nan 0.000 0.448 205 Y N 0.436 120.755 120.300 0.031 0.000 2.422 205 Y HA 0.239 4.788 4.550 -0.000 0.000 0.291 205 Y C 1.654 177.527 175.900 -0.045 0.000 1.144 205 Y CA 0.318 58.375 58.100 -0.071 0.000 1.208 205 Y CB -0.015 38.273 38.460 -0.287 0.000 1.195 205 Y HN -0.121 nan 8.280 nan 0.000 0.535 206 L N -0.415 120.826 121.223 0.029 0.000 2.072 206 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 206 L C 2.299 179.150 176.870 -0.031 0.000 1.079 206 L CA 0.809 55.636 54.840 -0.022 0.000 0.752 206 L CB -0.489 41.644 42.059 0.124 0.000 0.906 206 L HN 0.259 nan 8.230 nan 0.000 0.436 207 M N -0.311 119.305 119.600 0.026 0.000 2.108 207 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 207 M C -0.112 176.223 176.300 0.059 0.000 1.066 207 M CA 2.031 57.380 55.300 0.081 0.000 1.107 207 M CB -2.160 30.540 32.600 0.165 0.000 1.356 207 M HN 0.035 nan 8.290 nan 0.000 0.406 208 P HA -0.141 nan 4.420 nan 0.000 0.217 208 P C 1.030 178.287 177.300 -0.072 0.000 1.150 208 P CA 1.302 64.394 63.100 -0.015 0.000 0.832 208 P CB -0.178 31.464 31.700 -0.096 0.000 0.787 209 K N -0.698 119.617 120.400 -0.141 0.000 2.574 209 K HA -0.008 4.312 4.320 -0.000 0.000 0.193 209 K C 1.383 177.961 176.600 -0.036 0.000 1.035 209 K CA 0.678 56.886 56.287 -0.133 0.000 0.982 209 K CB -0.069 32.294 32.500 -0.228 0.000 0.795 209 K HN 0.185 nan 8.250 nan 0.000 0.491 210 R N -0.537 119.972 120.500 0.015 0.000 2.543 210 R HA 0.090 4.430 4.340 -0.000 0.000 0.323 210 R C 0.467 176.823 176.300 0.093 0.000 1.002 210 R CA 0.307 56.460 56.100 0.088 0.000 1.106 210 R CB 1.190 31.592 30.300 0.170 0.000 1.280 210 R HN 0.275 nan 8.270 nan 0.000 0.549 211 G N 1.196 110.024 108.800 0.046 0.000 2.143 211 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.248 211 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.248 211 G C 0.046 174.973 174.900 0.046 0.000 0.991 211 G CA 0.136 45.261 45.100 0.043 0.000 0.689 211 G HN 0.139 nan 8.290 nan 0.000 0.522 212 V N 0.913 120.857 119.914 0.051 0.000 2.427 212 V HA 0.620 4.740 4.120 -0.000 0.000 0.286 212 V C 0.175 176.416 176.094 0.245 0.000 1.034 212 V CA -0.892 61.462 62.300 0.089 0.000 0.893 212 V CB 1.517 33.345 31.823 0.009 0.000 0.982 212 V HN 0.369 nan 8.190 nan 0.000 0.452 213 F N 9.179 129.214 119.950 0.142 0.000 2.413 213 F HA 0.533 5.060 4.527 -0.000 0.000 0.359 213 F C -2.095 173.901 175.800 0.327 0.000 1.122 213 F CA -3.038 55.094 58.000 0.220 0.000 1.160 213 F CB 0.904 39.999 39.000 0.159 0.000 1.146 213 F HN 0.309 nan 8.300 nan 0.000 0.514 214 P HA 0.266 nan 4.420 nan 0.000 0.279 214 P C -1.266 175.827 177.300 -0.346 0.000 1.239 214 P CA -0.285 62.817 63.100 0.004 0.000 0.789 214 P CB 1.496 33.370 31.700 0.290 0.000 0.933 215 M N 1.980 121.470 119.600 -0.184 0.000 2.326 215 M HA 0.229 4.709 4.480 -0.000 0.000 0.292 215 M C 0.165 176.590 176.300 0.209 0.000 1.081 215 M CA -0.493 54.814 55.300 0.013 0.000 0.919 215 M CB 2.835 35.349 32.600 -0.144 0.000 1.634 215 M HN 0.451 nan 8.290 nan 0.000 0.451 216 H N 2.247 121.524 119.070 0.346 0.000 2.680 216 H HA 0.652 5.208 4.556 -0.000 0.000 0.224 216 H C -1.264 174.067 175.328 0.004 0.000 1.866 216 H CA -0.301 55.913 56.048 0.277 0.000 1.302 216 H CB 0.078 30.175 29.762 0.558 0.000 1.709 216 H HN 0.785 nan 8.280 nan 0.000 0.537 217 A N 1.631 124.275 122.820 -0.293 0.000 2.593 217 A HA 0.462 4.782 4.320 -0.000 0.000 0.290 217 A C -0.403 177.044 177.584 -0.229 0.000 1.126 217 A CA -0.514 51.242 52.037 -0.468 0.000 0.695 217 A CB 1.382 19.724 19.000 -1.097 0.000 1.290 217 A HN 0.529 nan 8.150 nan 0.000 0.414 218 S N -0.156 115.439 115.700 -0.174 0.000 2.669 218 S HA 0.881 5.350 4.470 -0.000 0.000 0.270 218 S C -0.037 174.462 174.600 -0.168 0.000 1.225 218 S CA 0.137 58.283 58.200 -0.089 0.000 0.991 218 S CB 1.492 64.639 63.200 -0.088 0.000 0.987 218 S HN 2.452 nan 8.310 nan 0.000 0.552 219 A N 1.293 123.990 122.820 -0.205 0.000 2.594 219 A HA 0.703 5.022 4.320 -0.000 0.000 0.296 219 A C -1.179 176.368 177.584 -0.062 0.000 1.061 219 A CA -0.947 50.969 52.037 -0.203 0.000 0.689 219 A CB 1.026 19.619 19.000 -0.678 0.000 1.280 219 A HN 1.229 nan 8.150 nan 0.000 0.406 220 N N -0.491 118.234 118.700 0.043 0.000 2.732 220 N HA 0.729 5.469 4.740 -0.000 0.000 0.259 220 N C -1.673 173.847 175.510 0.017 0.000 1.402 220 N CA -0.580 52.491 53.050 0.034 0.000 0.829 220 N CB 1.887 40.408 38.487 0.057 0.000 1.495 220 N HN 1.298 nan 8.380 nan 0.000 0.511 221 V N -0.809 119.110 119.914 0.009 0.000 2.841 221 V HA 0.895 5.014 4.120 -0.000 0.000 0.310 221 V C 0.375 176.476 176.094 0.010 0.000 1.090 221 V CA -0.313 61.988 62.300 0.002 0.000 0.930 221 V CB 1.313 33.131 31.823 -0.009 0.000 1.014 221 V HN 1.038 nan 8.190 nan 0.000 0.425 222 G N 3.058 111.865 108.800 0.012 0.000 2.588 222 G HA2 0.260 4.220 3.960 -0.000 0.000 0.281 222 G HA3 0.260 4.220 3.960 -0.000 0.000 0.281 222 G C 0.411 175.316 174.900 0.008 0.000 1.236 222 G CA 0.096 45.202 45.100 0.011 0.000 0.969 222 G HN 1.012 nan 8.290 nan 0.000 0.504 223 K N -0.718 119.685 120.400 0.006 0.000 2.281 223 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 223 K C 1.614 178.220 176.600 0.009 0.000 1.046 223 K CA 1.304 57.594 56.287 0.006 0.000 0.938 223 K CB 0.125 32.627 32.500 0.003 0.000 0.737 223 K HN 0.363 nan 8.250 nan 0.000 0.458 224 E N -0.775 119.432 120.200 0.011 0.000 2.489 224 E HA 0.033 4.382 4.350 -0.000 0.000 0.193 224 E C 0.914 177.524 176.600 0.017 0.000 1.057 224 E CA 0.758 57.166 56.400 0.014 0.000 0.866 224 E CB 0.787 30.496 29.700 0.016 0.000 0.916 224 E HN 0.564 nan 8.360 nan 0.000 0.500 225 G N 2.606 111.414 108.800 0.014 0.000 2.175 225 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 225 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 225 G C -0.170 174.735 174.900 0.009 0.000 0.982 225 G CA 0.186 45.295 45.100 0.014 0.000 0.641 225 G HN 0.354 nan 8.290 nan 0.000 0.527 226 D N 0.973 121.378 120.400 0.009 0.000 2.339 226 D HA 0.389 5.029 4.640 -0.000 0.000 0.256 226 D C 0.461 176.752 176.300 -0.015 0.000 1.214 226 D CA -0.353 53.648 54.000 0.003 0.000 0.877 226 D CB 1.974 42.782 40.800 0.013 0.000 1.111 226 D HN 0.122 nan 8.370 nan 0.000 0.478 227 V N 1.396 121.281 119.914 -0.048 0.000 2.546 227 V HA 0.542 4.661 4.120 -0.000 0.000 0.284 227 V C 0.566 176.586 176.094 -0.124 0.000 1.050 227 V CA -0.613 61.632 62.300 -0.093 0.000 0.981 227 V CB 1.136 32.866 31.823 -0.155 0.000 0.990 227 V HN 0.862 nan 8.190 nan 0.000 0.474 228 A N 4.655 127.404 122.820 -0.118 0.000 2.355 228 A HA 0.862 5.182 4.320 -0.000 0.000 0.317 228 A C -1.001 176.370 177.584 -0.355 0.000 1.094 228 A CA -0.530 51.385 52.037 -0.202 0.000 0.764 228 A CB 1.736 20.690 19.000 -0.077 0.000 1.230 228 A HN 0.620 nan 8.150 nan 0.000 0.448 229 V N 1.861 121.462 119.914 -0.522 0.000 2.540 229 V HA 0.581 4.701 4.120 -0.000 0.000 0.302 229 V C -1.417 174.372 176.094 -0.509 0.000 1.035 229 V CA -0.295 61.735 62.300 -0.451 0.000 0.873 229 V CB 1.328 32.938 31.823 -0.355 0.000 0.992 229 V HN 0.700 nan 8.190 nan 0.000 0.428 230 F N 4.268 124.134 119.950 -0.139 0.000 2.445 230 F HA 0.648 5.175 4.527 -0.000 0.000 0.348 230 F C -0.407 175.288 175.800 -0.174 0.000 1.125 230 F CA -0.699 57.284 58.000 -0.029 0.000 0.983 230 F CB 1.077 40.037 39.000 -0.067 0.000 1.198 230 F HN 0.250 nan 8.300 nan 0.000 0.436 231 F N 1.475 121.468 119.950 0.073 0.000 2.399 231 F HA 0.811 5.338 4.527 -0.000 0.000 0.334 231 F C 0.643 176.209 175.800 -0.389 0.000 1.097 231 F CA -0.812 57.076 58.000 -0.187 0.000 1.076 231 F CB 1.919 40.709 39.000 -0.349 0.000 1.162 231 F HN 0.596 nan 8.300 nan 0.000 0.495 232 G N 2.328 111.037 108.800 -0.150 0.000 2.429 232 G HA2 0.397 4.357 3.960 -0.000 0.000 0.300 232 G HA3 0.397 4.357 3.960 -0.000 0.000 0.300 232 G C -1.855 173.113 174.900 0.112 0.000 1.598 232 G CA -1.081 44.013 45.100 -0.010 0.000 0.863 232 G HN 0.579 nan 8.290 nan 0.000 0.614 233 L N 1.356 122.710 121.223 0.218 0.000 2.418 233 L HA 0.468 4.808 4.340 -0.000 0.000 0.265 233 L C 1.554 178.496 176.870 0.120 0.000 1.143 233 L CA -0.676 54.282 54.840 0.198 0.000 0.809 233 L CB 1.360 43.529 42.059 0.184 0.000 1.124 233 L HN 0.824 nan 8.230 nan 0.000 0.456 234 S N 0.735 116.513 115.700 0.130 0.000 2.593 234 S HA 0.202 4.672 4.470 -0.000 0.000 0.300 234 S C 1.019 175.658 174.600 0.066 0.000 1.267 234 S CA -0.057 58.198 58.200 0.091 0.000 1.065 234 S CB 0.446 63.712 63.200 0.109 0.000 0.807 234 S HN 1.128 nan 8.310 nan 0.000 0.499 235 G N 2.240 111.065 108.800 0.042 0.000 2.157 235 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.239 235 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.239 235 G C 0.547 175.459 174.900 0.020 0.000 0.982 235 G CA 0.686 45.807 45.100 0.035 0.000 0.650 235 G HN 1.785 nan 8.290 nan 0.000 0.527 236 T N -2.723 111.840 114.554 0.016 0.000 3.054 236 T HA 0.490 4.840 4.350 -0.000 0.000 0.255 236 T C 2.041 176.726 174.700 -0.026 0.000 1.035 236 T CA 1.473 63.577 62.100 0.006 0.000 0.941 236 T CB 0.747 69.642 68.868 0.045 0.000 1.026 236 T HN 2.126 nan 8.240 nan 0.000 0.533 237 G N 1.879 110.653 108.800 -0.044 0.000 2.148 237 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.203 237 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.203 237 G C 0.640 175.462 174.900 -0.131 0.000 0.993 237 G CA 0.408 45.458 45.100 -0.083 0.000 0.661 237 G HN 0.597 nan 8.290 nan 0.000 0.518 238 K N -0.034 120.302 120.400 -0.107 0.000 2.103 238 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 238 K C 2.378 178.823 176.600 -0.258 0.000 1.048 238 K CA 2.183 58.374 56.287 -0.160 0.000 0.930 238 K CB -0.211 32.231 32.500 -0.097 0.000 0.716 238 K HN 0.370 nan 8.250 nan 0.000 0.444 239 T N -0.619 113.827 114.554 -0.181 0.000 2.852 239 T HA -0.114 4.236 4.350 -0.000 0.000 0.256 239 T C 1.857 176.435 174.700 -0.203 0.000 1.038 239 T CA 1.642 63.639 62.100 -0.172 0.000 1.141 239 T CB -0.378 68.431 68.868 -0.097 0.000 0.869 239 T HN 0.442 nan 8.240 nan 0.000 0.439 240 T N 1.642 116.092 114.554 -0.173 0.000 2.788 240 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 240 T C 1.891 176.447 174.700 -0.240 0.000 1.044 240 T CA 0.885 62.885 62.100 -0.167 0.000 1.139 240 T CB -0.469 68.328 68.868 -0.118 0.000 0.867 240 T HN 0.259 nan 8.240 nan 0.000 0.454 241 L N 1.295 122.317 121.223 -0.335 0.000 2.270 241 L HA 0.100 4.439 4.340 -0.000 0.000 0.210 241 L C 2.848 179.274 176.870 -0.740 0.000 1.104 241 L CA 1.186 55.753 54.840 -0.454 0.000 0.804 241 L CB -0.349 41.454 42.059 -0.425 0.000 0.937 241 L HN 0.401 nan 8.230 nan 0.000 0.450 242 S N -2.490 112.663 115.700 -0.911 0.000 2.603 242 S HA 0.004 4.474 4.470 -0.000 0.000 0.220 242 S C 0.906 175.272 174.600 -0.390 0.000 0.967 242 S CA -0.131 57.516 58.200 -0.921 0.000 0.920 242 S CB -0.411 62.303 63.200 -0.809 0.000 0.773 242 S HN 0.176 nan 8.310 nan 0.000 0.529 243 T N 3.630 118.001 114.554 -0.305 0.000 2.794 243 T HA 0.407 4.756 4.350 -0.000 0.000 0.304 243 T C -1.053 173.557 174.700 -0.150 0.000 0.973 243 T CA -0.335 61.657 62.100 -0.179 0.000 0.972 243 T CB 0.547 69.329 68.868 -0.145 0.000 0.952 243 T HN 0.304 nan 8.240 nan 0.000 0.509 244 D N 4.203 124.535 120.400 -0.113 0.000 2.855 244 D HA 0.250 4.890 4.640 -0.000 0.000 0.241 244 D C -1.868 174.395 176.300 -0.061 0.000 1.277 244 D CA -2.197 51.751 54.000 -0.086 0.000 0.918 244 D CB 2.579 43.333 40.800 -0.077 0.000 1.462 244 D HN 0.101 nan 8.370 nan 0.000 0.559 245 P HA -0.093 nan 4.420 nan 0.000 0.223 245 P C 0.493 177.773 177.300 -0.034 0.000 1.144 245 P CA 0.832 63.906 63.100 -0.045 0.000 0.783 245 P CB 0.664 32.336 31.700 -0.047 0.000 0.771 246 E N -0.439 119.742 120.200 -0.033 0.000 2.481 246 E HA 0.117 4.467 4.350 -0.000 0.000 0.198 246 E C 0.530 177.121 176.600 -0.015 0.000 1.027 246 E CA 0.152 56.539 56.400 -0.022 0.000 0.900 246 E CB 0.403 30.090 29.700 -0.022 0.000 0.993 246 E HN 0.394 nan 8.360 nan 0.000 0.482 247 R N 1.255 121.745 120.500 -0.017 0.000 2.472 247 R HA 0.309 4.648 4.340 -0.000 0.000 0.294 247 R C -2.691 173.604 176.300 -0.010 0.000 1.243 247 R CA -1.935 54.161 56.100 -0.006 0.000 1.023 247 R CB 1.438 31.742 30.300 0.007 0.000 1.157 247 R HN -0.173 nan 8.270 nan 0.000 0.530 248 P HA -0.126 nan 4.420 nan 0.000 0.260 248 P C -0.483 176.816 177.300 -0.001 0.000 1.172 248 P CA -0.092 63.005 63.100 -0.004 0.000 0.760 248 P CB 0.461 32.162 31.700 0.001 0.000 0.773 249 L N 5.038 126.258 121.223 -0.005 0.000 2.410 249 L HA 0.104 4.444 4.340 -0.000 0.000 0.273 249 L C 1.026 177.910 176.870 0.023 0.000 1.152 249 L CA 0.600 55.440 54.840 -0.001 0.000 0.855 249 L CB 0.082 42.135 42.059 -0.009 0.000 1.129 249 L HN 0.398 nan 8.230 nan 0.000 0.463 250 I N 3.228 123.819 120.570 0.034 0.000 2.494 250 I HA 0.260 4.429 4.170 -0.000 0.000 0.250 250 I C 1.078 177.300 176.117 0.176 0.000 1.112 250 I CA 0.674 62.024 61.300 0.083 0.000 1.438 250 I CB -0.174 37.856 38.000 0.050 0.000 1.111 250 I HN 0.746 nan 8.210 nan 0.000 0.431 251 G N 0.228 109.178 108.800 0.249 0.000 2.601 251 G HA2 0.240 4.200 3.960 -0.000 0.000 0.291 251 G HA3 0.240 4.200 3.960 -0.000 0.000 0.291 251 G C -1.060 173.948 174.900 0.180 0.000 1.456 251 G CA -0.078 45.160 45.100 0.230 0.000 0.804 251 G HN 0.107 nan 8.290 nan 0.000 0.499 252 D N -1.429 118.994 120.400 0.037 0.000 2.398 252 D HA 0.192 4.832 4.640 -0.000 0.000 0.210 252 D C 0.560 176.835 176.300 -0.041 0.000 1.094 252 D CA 0.490 54.483 54.000 -0.010 0.000 0.839 252 D CB 1.241 42.011 40.800 -0.051 0.000 0.963 252 D HN 0.338 nan 8.370 nan 0.000 0.506 253 D N -0.781 119.575 120.400 -0.075 0.000 1.979 253 D HA 0.086 4.726 4.640 -0.000 0.000 0.399 253 D C -0.736 175.418 176.300 -0.242 0.000 1.016 253 D CA 0.198 54.115 54.000 -0.139 0.000 0.928 253 D CB 0.783 41.494 40.800 -0.149 0.000 1.739 253 D HN 0.085 nan 8.370 nan 0.000 0.537 254 E N -0.250 119.675 120.200 -0.458 0.000 2.260 254 E HA 0.496 4.846 4.350 -0.000 0.000 0.266 254 E C -1.308 174.643 176.600 -1.082 0.000 0.887 254 E CA -0.569 55.432 56.400 -0.664 0.000 0.777 254 E CB 1.992 31.254 29.700 -0.730 0.000 1.205 254 E HN 0.153 nan 8.360 nan 0.000 0.414 255 H N 0.102 118.588 119.070 -0.974 0.000 2.946 255 H HA 0.678 5.233 4.556 -0.000 0.000 0.365 255 H C -0.278 174.214 175.328 -1.394 0.000 1.197 255 H CA -0.908 54.450 56.048 -1.150 0.000 1.131 255 H CB 2.109 31.502 29.762 -0.615 0.000 1.849 255 H HN 0.545 nan 8.280 nan 0.000 0.555 256 G N -0.083 108.002 108.800 -1.192 0.000 2.452 256 G HA2 0.345 4.305 3.960 -0.000 0.000 0.324 256 G HA3 0.345 4.305 3.960 -0.000 0.000 0.324 256 G C -1.698 173.053 174.900 -0.249 0.000 1.214 256 G CA -0.540 44.129 45.100 -0.719 0.000 0.947 256 G HN 0.451 nan 8.290 nan 0.000 0.478 257 W N 3.839 125.105 121.300 -0.057 0.000 2.338 257 W HA 0.594 5.254 4.660 -0.000 0.000 0.315 257 W C 0.410 177.034 176.519 0.175 0.000 1.005 257 W CA -1.695 55.717 57.345 0.111 0.000 1.380 257 W CB 1.105 30.742 29.460 0.296 0.000 1.235 257 W HN 0.649 nan 8.180 nan 0.000 0.409 258 S N 2.392 118.402 115.700 0.517 0.000 2.718 258 S HA 0.321 4.790 4.470 -0.000 0.000 0.292 258 S C 0.936 175.730 174.600 0.323 0.000 1.125 258 S CA -0.122 58.242 58.200 0.274 0.000 1.013 258 S CB 1.332 64.654 63.200 0.203 0.000 1.192 258 S HN 0.536 nan 8.310 nan 0.000 0.535 259 E N -0.203 120.177 120.200 0.299 0.000 2.418 259 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 259 E C 0.164 177.045 176.600 0.469 0.000 1.026 259 E CA 0.938 57.572 56.400 0.391 0.000 0.862 259 E CB -0.308 29.562 29.700 0.284 0.000 0.799 259 E HN 0.604 nan 8.360 nan 0.000 0.518 260 D N 0.422 120.987 120.400 0.275 0.000 2.388 260 D HA 0.184 4.823 4.640 -0.000 0.000 0.208 260 D C 0.984 177.128 176.300 -0.261 0.000 1.035 260 D CA 1.033 55.120 54.000 0.144 0.000 0.875 260 D CB 1.280 42.179 40.800 0.166 0.000 0.984 260 D HN 0.322 nan 8.370 nan 0.000 0.508 261 G N 0.271 108.849 108.800 -0.371 0.000 2.373 261 G HA2 0.198 4.158 3.960 -0.000 0.000 0.250 261 G HA3 0.198 4.158 3.960 -0.000 0.000 0.250 261 G C -1.252 173.630 174.900 -0.030 0.000 1.304 261 G CA -0.245 44.564 45.100 -0.485 0.000 0.948 261 G HN 0.196 nan 8.290 nan 0.000 0.474 262 V N -1.195 118.678 119.914 -0.068 0.000 2.732 262 V HA 0.984 5.104 4.120 -0.000 0.000 0.310 262 V C -0.330 175.909 176.094 0.242 0.000 1.053 262 V CA -0.602 61.703 62.300 0.009 0.000 0.957 262 V CB 1.081 32.769 31.823 -0.226 0.000 1.018 262 V HN 1.903 nan 8.190 nan 0.000 0.452 263 F N 0.126 120.152 119.950 0.128 0.000 2.628 263 F HA 0.546 5.073 4.527 -0.000 0.000 0.309 263 F C -0.763 175.141 175.800 0.174 0.000 1.108 263 F CA -1.171 56.938 58.000 0.182 0.000 0.971 263 F CB 1.338 40.477 39.000 0.231 0.000 1.279 263 F HN 0.732 nan 8.300 nan 0.000 0.441 264 N N 1.858 120.700 118.700 0.238 0.000 2.513 264 N HA 0.166 4.905 4.740 -0.000 0.000 0.268 264 N C 0.075 175.715 175.510 0.217 0.000 1.180 264 N CA -0.508 52.468 53.050 -0.125 0.000 0.948 264 N CB 0.515 38.974 38.487 -0.047 0.000 1.083 264 N HN 0.590 nan 8.380 nan 0.000 0.455 265 F N 1.497 121.361 119.950 -0.143 0.000 2.615 265 F HA 0.160 4.687 4.527 -0.000 0.000 0.297 265 F C 0.646 176.519 175.800 0.122 0.000 1.124 265 F CA 0.444 58.491 58.000 0.079 0.000 1.451 265 F CB -0.228 38.795 39.000 0.038 0.000 1.103 265 F HN 0.500 nan 8.300 nan 0.000 0.569 266 E N -1.752 118.548 120.200 0.167 0.000 2.339 266 E HA 0.566 4.916 4.350 -0.000 0.000 0.262 266 E C 0.540 177.155 176.600 0.024 0.000 0.934 266 E CA -0.401 56.051 56.400 0.086 0.000 0.802 266 E CB 1.458 31.095 29.700 -0.104 0.000 1.275 266 E HN -0.031 nan 8.360 nan 0.000 0.427 267 G N 0.019 108.801 108.800 -0.030 0.000 3.519 267 G HA2 0.443 4.403 3.960 -0.000 0.000 0.269 267 G HA3 0.443 4.403 3.960 -0.000 0.000 0.269 267 G C 0.110 174.934 174.900 -0.127 0.000 1.028 267 G CA 0.296 45.370 45.100 -0.044 0.000 0.809 267 G HN 0.496 nan 8.290 nan 0.000 0.521 268 G N -1.322 107.345 108.800 -0.223 0.000 2.975 268 G HA2 0.481 4.441 3.960 -0.000 0.000 0.291 268 G HA3 0.481 4.441 3.960 -0.000 0.000 0.291 268 G C -1.620 173.083 174.900 -0.328 0.000 1.334 268 G CA -0.493 44.432 45.100 -0.292 0.000 0.843 268 G HN 0.213 nan 8.290 nan 0.000 0.548 269 C N -1.167 117.841 119.300 -0.487 0.000 2.626 269 C HA 0.585 5.045 4.460 -0.000 0.000 0.310 269 C C -1.228 173.500 174.990 -0.436 0.000 1.191 269 C CA -0.547 58.167 59.018 -0.507 0.000 1.517 269 C CB 1.205 28.519 27.740 -0.709 0.000 2.102 269 C HN 0.631 nan 8.230 nan 0.000 0.479 270 Y N 2.564 122.645 120.300 -0.365 0.000 2.635 270 Y HA 0.583 5.132 4.550 -0.000 0.000 0.373 270 Y C 0.493 176.321 175.900 -0.119 0.000 1.000 270 Y CA -0.703 57.274 58.100 -0.205 0.000 1.219 270 Y CB -0.144 38.252 38.460 -0.106 0.000 1.294 270 Y HN 0.819 nan 8.280 nan 0.000 0.612 271 A N 2.519 125.206 122.820 -0.222 0.000 2.322 271 A HA 0.436 4.756 4.320 -0.000 0.000 0.269 271 A C -0.079 177.414 177.584 -0.152 0.000 1.094 271 A CA -0.682 51.278 52.037 -0.129 0.000 0.807 271 A CB 0.454 19.456 19.000 0.002 0.000 1.047 271 A HN 0.544 nan 8.150 nan 0.000 0.487 272 K N 0.745 121.092 120.400 -0.089 0.000 2.276 272 K HA 0.338 4.658 4.320 -0.000 0.000 0.283 272 K C 0.442 177.050 176.600 0.014 0.000 1.044 272 K CA -0.083 56.170 56.287 -0.055 0.000 0.944 272 K CB 1.166 33.653 32.500 -0.022 0.000 1.012 272 K HN 0.590 nan 8.250 nan 0.000 0.472 273 V N 0.939 120.894 119.914 0.068 0.000 3.346 273 V HA 0.211 4.330 4.120 -0.000 0.000 0.309 273 V C 0.362 176.579 176.094 0.204 0.000 1.457 273 V CA -0.552 61.834 62.300 0.144 0.000 1.069 273 V CB -0.246 31.748 31.823 0.285 0.000 0.944 273 V HN 0.592 nan 8.190 nan 0.000 0.449 274 I N 2.423 123.077 120.570 0.139 0.000 2.752 274 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 274 I C 1.380 177.571 176.117 0.123 0.000 1.197 274 I CA 0.901 62.284 61.300 0.139 0.000 1.432 274 I CB -0.461 37.589 38.000 0.083 0.000 1.359 274 I HN 0.548 nan 8.210 nan 0.000 0.571 275 R N 2.819 123.414 120.500 0.158 0.000 3.878 275 R HA -0.210 4.130 4.340 -0.000 0.000 0.330 275 R C -0.245 176.085 176.300 0.050 0.000 1.186 275 R CA 0.395 56.556 56.100 0.101 0.000 0.885 275 R CB -2.080 28.239 30.300 0.032 0.000 1.377 275 R HN 0.533 nan 8.270 nan 0.000 0.523 276 L N 1.154 122.419 121.223 0.071 0.000 2.485 276 L HA 0.218 4.558 4.340 -0.000 0.000 0.275 276 L C 0.446 177.194 176.870 -0.202 0.000 1.207 276 L CA 1.281 56.056 54.840 -0.108 0.000 0.855 276 L CB 1.133 43.009 42.059 -0.306 0.000 1.114 276 L HN 0.261 nan 8.230 nan 0.000 0.485 277 S N 2.872 118.451 115.700 -0.202 0.000 2.537 277 S HA 0.577 5.047 4.470 -0.000 0.000 0.270 277 S C -2.392 171.939 174.600 -0.448 0.000 1.142 277 S CA -0.987 57.011 58.200 -0.337 0.000 0.870 277 S CB 1.754 64.839 63.200 -0.193 0.000 1.112 277 S HN 0.415 nan 8.310 nan 0.000 0.466 278 P HA -0.083 nan 4.420 nan 0.000 0.216 278 P C 0.845 177.985 177.300 -0.267 0.000 1.150 278 P CA 1.428 64.135 63.100 -0.655 0.000 0.837 278 P CB 0.042 31.329 31.700 -0.689 0.000 0.786 279 E N -1.779 118.319 120.200 -0.169 0.000 2.072 279 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 279 E C 1.656 178.215 176.600 -0.068 0.000 0.985 279 E CA 1.299 57.665 56.400 -0.057 0.000 0.801 279 E CB -0.764 28.977 29.700 0.069 0.000 0.750 279 E HN 0.468 nan 8.360 nan 0.000 0.452 280 H N -0.787 118.201 119.070 -0.136 0.000 2.595 280 H HA 0.270 4.826 4.556 -0.000 0.000 0.265 280 H C 0.059 175.330 175.328 -0.095 0.000 0.953 280 H CA 0.488 56.476 56.048 -0.101 0.000 1.197 280 H CB 0.620 30.332 29.762 -0.082 0.000 1.438 280 H HN -0.023 nan 8.280 nan 0.000 0.531 281 E N 0.146 120.345 120.200 -0.002 0.000 4.230 281 E HA 0.113 4.463 4.350 -0.000 0.000 0.216 281 E C -1.897 174.685 176.600 -0.031 0.000 1.132 281 E CA -1.113 55.273 56.400 -0.023 0.000 1.404 281 E CB 1.140 30.831 29.700 -0.015 0.000 1.183 281 E HN 0.184 nan 8.360 nan 0.000 0.431 282 P HA -0.261 nan 4.420 nan 0.000 0.218 282 P C 1.204 178.494 177.300 -0.017 0.000 1.154 282 P CA 1.315 64.387 63.100 -0.047 0.000 0.872 282 P CB 0.381 32.038 31.700 -0.071 0.000 0.790 283 L N -1.401 119.800 121.223 -0.037 0.000 2.056 283 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 283 L C 2.894 179.720 176.870 -0.074 0.000 1.078 283 L CA 1.290 56.100 54.840 -0.049 0.000 0.749 283 L CB -0.754 41.279 42.059 -0.043 0.000 0.901 283 L HN -0.102 nan 8.230 nan 0.000 0.433 284 I N -1.386 119.157 120.570 -0.044 0.000 2.353 284 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 284 I C 2.565 178.599 176.117 -0.138 0.000 1.119 284 I CA 1.148 62.414 61.300 -0.057 0.000 1.417 284 I CB -0.248 37.773 38.000 0.034 0.000 1.078 284 I HN 0.143 nan 8.210 nan 0.000 0.421 285 Y N 1.849 122.016 120.300 -0.222 0.000 2.181 285 Y HA -0.301 4.249 4.550 -0.000 0.000 0.288 285 Y C 2.598 178.375 175.900 -0.205 0.000 1.146 285 Y CA 1.836 59.762 58.100 -0.290 0.000 1.164 285 Y CB -0.089 38.193 38.460 -0.296 0.000 0.982 285 Y HN -0.044 nan 8.280 nan 0.000 0.515 286 K N -0.264 120.120 120.400 -0.027 0.000 2.057 286 K HA -0.140 4.179 4.320 -0.000 0.000 0.206 286 K C 2.202 178.666 176.600 -0.228 0.000 1.050 286 K CA 1.119 57.352 56.287 -0.090 0.000 0.935 286 K CB -0.347 32.116 32.500 -0.062 0.000 0.715 286 K HN 0.374 nan 8.250 nan 0.000 0.439 287 A N 0.045 122.666 122.820 -0.332 0.000 2.015 287 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 287 A C 1.970 179.276 177.584 -0.464 0.000 1.163 287 A CA 1.684 53.404 52.037 -0.528 0.000 0.646 287 A CB -0.213 18.132 19.000 -1.092 0.000 0.806 287 A HN 0.274 nan 8.150 nan 0.000 0.448 288 S N 0.301 115.783 115.700 -0.363 0.000 2.470 288 S HA 0.008 4.478 4.470 -0.000 0.000 0.225 288 S C 0.998 175.591 174.600 -0.010 0.000 1.006 288 S CA 0.111 58.265 58.200 -0.076 0.000 0.934 288 S CB -0.125 63.070 63.200 -0.009 0.000 0.778 288 S HN 0.607 nan 8.310 nan 0.000 0.517 289 N N 2.909 121.525 118.700 -0.140 0.000 2.575 289 N HA 0.122 4.862 4.740 -0.000 0.000 0.275 289 N C -0.269 175.210 175.510 -0.052 0.000 1.202 289 N CA 0.038 53.054 53.050 -0.057 0.000 0.945 289 N CB 0.302 38.703 38.487 -0.142 0.000 1.247 289 N HN 0.672 nan 8.380 nan 0.000 0.510 290 Q N -1.016 118.773 119.800 -0.019 0.000 2.553 290 Q HA 0.336 4.676 4.340 -0.000 0.000 0.293 290 Q C -0.890 175.180 176.000 0.117 0.000 1.038 290 Q CA -0.893 54.896 55.803 -0.023 0.000 0.777 290 Q CB 1.068 29.683 28.738 -0.206 0.000 1.487 290 Q HN -0.027 nan 8.270 nan 0.000 0.426 291 F N 1.552 121.505 119.950 0.004 0.000 2.607 291 F HA 0.025 4.552 4.527 -0.000 0.000 0.374 291 F C 0.560 176.464 175.800 0.174 0.000 1.104 291 F CA 1.778 59.815 58.000 0.063 0.000 1.296 291 F CB 0.252 39.266 39.000 0.022 0.000 1.085 291 F HN 0.980 nan 8.300 nan 0.000 0.584 292 E N 0.663 120.491 120.200 -0.621 0.000 4.207 292 E HA -0.171 4.179 4.350 -0.000 0.000 0.382 292 E C -0.065 176.448 176.600 -0.145 0.000 0.552 292 E CA 0.516 56.701 56.400 -0.357 0.000 1.616 292 E CB -1.498 28.189 29.700 -0.021 0.000 1.908 292 E HN 0.710 nan 8.360 nan 0.000 0.413 293 A N 1.365 124.188 122.820 0.004 0.000 2.425 293 A HA 0.542 4.862 4.320 -0.000 0.000 0.249 293 A C 0.098 177.694 177.584 0.020 0.000 1.084 293 A CA 0.223 52.303 52.037 0.071 0.000 0.781 293 A CB 0.173 19.275 19.000 0.169 0.000 1.019 293 A HN 0.227 nan 8.150 nan 0.000 0.490 294 I N 2.612 123.224 120.570 0.069 0.000 2.389 294 I HA 0.236 4.406 4.170 -0.000 0.000 0.288 294 I C -0.688 175.461 176.117 0.054 0.000 0.999 294 I CA -0.155 61.172 61.300 0.044 0.000 1.129 294 I CB 1.494 39.578 38.000 0.139 0.000 1.288 294 I HN 0.467 nan 8.210 nan 0.000 0.444 295 L N 6.599 127.808 121.223 -0.024 0.000 2.264 295 L HA 0.383 4.723 4.340 -0.000 0.000 0.287 295 L C 0.259 177.067 176.870 -0.102 0.000 1.039 295 L CA -0.270 54.556 54.840 -0.024 0.000 0.829 295 L CB 0.837 42.853 42.059 -0.071 0.000 1.211 295 L HN 0.624 nan 8.230 nan 0.000 0.427 296 E N 4.960 125.129 120.200 -0.052 0.000 2.152 296 E HA 0.090 4.440 4.350 -0.000 0.000 0.285 296 E C -0.022 176.554 176.600 -0.039 0.000 1.043 296 E CA -0.208 56.145 56.400 -0.078 0.000 0.839 296 E CB 0.391 30.103 29.700 0.020 0.000 1.069 296 E HN 0.570 nan 8.360 nan 0.000 0.399 297 N N 1.217 119.871 118.700 -0.077 0.000 2.828 297 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 297 N C 0.112 175.585 175.510 -0.061 0.000 1.044 297 N CA 1.082 54.104 53.050 -0.047 0.000 0.851 297 N CB -1.837 36.660 38.487 0.017 0.000 1.136 297 N HN 0.414 nan 8.380 nan 0.000 0.572 298 V N -2.268 117.586 119.914 -0.100 0.000 3.133 298 V HA 0.532 4.652 4.120 -0.000 0.000 0.305 298 V C 1.114 177.113 176.094 -0.158 0.000 1.084 298 V CA -0.616 61.601 62.300 -0.139 0.000 1.089 298 V CB 1.561 33.232 31.823 -0.253 0.000 1.073 298 V HN -0.070 nan 8.190 nan 0.000 0.477 299 V N 3.164 122.979 119.914 -0.165 0.000 2.439 299 V HA 0.544 4.664 4.120 -0.000 0.000 0.282 299 V C 0.070 176.047 176.094 -0.194 0.000 1.039 299 V CA -0.096 62.117 62.300 -0.144 0.000 0.913 299 V CB 1.357 33.120 31.823 -0.101 0.000 0.983 299 V HN 0.911 nan 8.190 nan 0.000 0.460 300 V N 5.839 125.656 119.914 -0.161 0.000 2.638 300 V HA 0.480 4.600 4.120 -0.000 0.000 0.306 300 V C -0.048 175.979 176.094 -0.112 0.000 1.052 300 V CA -0.826 61.375 62.300 -0.164 0.000 0.885 300 V CB 2.004 33.729 31.823 -0.163 0.000 0.999 300 V HN 0.953 nan 8.190 nan 0.000 0.424 301 N N 8.447 127.085 118.700 -0.103 0.000 2.434 301 N HA 0.153 4.893 4.740 -0.000 0.000 0.268 301 N C -1.448 174.024 175.510 -0.063 0.000 1.256 301 N CA -0.842 52.164 53.050 -0.074 0.000 0.914 301 N CB 1.809 40.255 38.487 -0.069 0.000 1.088 301 N HN 0.552 nan 8.380 nan 0.000 0.478 302 P HA -0.148 nan 4.420 nan 0.000 0.218 302 P C 0.455 177.735 177.300 -0.033 0.000 1.148 302 P CA 1.369 64.444 63.100 -0.042 0.000 0.822 302 P CB 0.551 32.230 31.700 -0.035 0.000 0.784 303 E N 0.010 120.190 120.200 -0.033 0.000 2.127 303 E HA -0.028 4.321 4.350 -0.000 0.000 0.191 303 E C 2.216 178.799 176.600 -0.029 0.000 0.964 303 E CA 1.350 57.734 56.400 -0.027 0.000 0.832 303 E CB -0.513 29.172 29.700 -0.024 0.000 0.790 303 E HN 0.379 nan 8.360 nan 0.000 0.465 304 S N 0.123 115.798 115.700 -0.041 0.000 2.501 304 S HA 0.048 4.518 4.470 -0.000 0.000 0.220 304 S C 0.900 175.468 174.600 -0.054 0.000 0.997 304 S CA -0.199 57.969 58.200 -0.053 0.000 0.919 304 S CB 0.225 63.383 63.200 -0.071 0.000 0.778 304 S HN -0.014 nan 8.310 nan 0.000 0.523 305 R N 0.922 121.394 120.500 -0.048 0.000 3.758 305 R HA -0.082 4.258 4.340 -0.000 0.000 0.299 305 R C -0.933 175.337 176.300 -0.050 0.000 1.182 305 R CA 0.558 56.634 56.100 -0.040 0.000 0.809 305 R CB -2.077 28.220 30.300 -0.004 0.000 1.249 305 R HN 0.513 nan 8.270 nan 0.000 0.497 306 R N 0.212 120.658 120.500 -0.091 0.000 2.297 306 R HA 0.343 4.683 4.340 -0.000 0.000 0.308 306 R C 0.270 176.471 176.300 -0.164 0.000 1.029 306 R CA -0.696 55.337 56.100 -0.111 0.000 0.929 306 R CB 1.211 31.437 30.300 -0.123 0.000 1.046 306 R HN -0.137 nan 8.270 nan 0.000 0.461 307 V N 4.487 124.245 119.914 -0.261 0.000 2.555 307 V HA 0.013 4.132 4.120 -0.000 0.000 0.286 307 V C 0.570 176.331 176.094 -0.555 0.000 1.044 307 V CA -0.178 61.782 62.300 -0.567 0.000 1.026 307 V CB 1.176 32.300 31.823 -1.165 0.000 0.981 307 V HN 0.474 nan 8.190 nan 0.000 0.480 308 Q N 4.509 124.074 119.800 -0.391 0.000 2.566 308 Q HA 0.139 4.479 4.340 -0.000 0.000 0.221 308 Q C 0.421 176.325 176.000 -0.159 0.000 1.195 308 Q CA -0.056 55.636 55.803 -0.184 0.000 0.967 308 Q CB 0.453 29.129 28.738 -0.103 0.000 1.337 308 Q HN 0.859 nan 8.270 nan 0.000 0.553 309 W N 0.989 122.313 121.300 0.039 0.000 2.387 309 W HA -0.126 4.534 4.660 -0.000 0.000 0.272 309 W C 0.827 177.361 176.519 0.025 0.000 1.224 309 W CA 0.595 57.967 57.345 0.045 0.000 1.210 309 W CB 0.319 29.834 29.460 0.093 0.000 1.125 309 W HN 0.449 nan 8.180 nan 0.000 0.572 310 D N -1.009 119.512 120.400 0.201 0.000 2.346 310 D HA -0.068 4.572 4.640 -0.000 0.000 0.206 310 D C 0.161 176.499 176.300 0.064 0.000 1.001 310 D CA 0.802 54.872 54.000 0.117 0.000 0.871 310 D CB -0.408 40.441 40.800 0.082 0.000 0.943 310 D HN -0.001 nan 8.370 nan 0.000 0.518 311 D N 2.010 122.432 120.400 0.037 0.000 2.349 311 D HA -0.030 4.610 4.640 -0.000 0.000 0.266 311 D C 0.110 176.413 176.300 0.006 0.000 1.293 311 D CA -0.047 53.957 54.000 0.007 0.000 0.926 311 D CB 0.585 41.372 40.800 -0.022 0.000 1.090 311 D HN 0.031 nan 8.370 nan 0.000 0.502 312 D N 1.044 121.451 120.400 0.011 0.000 2.395 312 D HA 0.017 4.657 4.640 -0.000 0.000 0.226 312 D C 1.116 177.416 176.300 -0.001 0.000 1.146 312 D CA -0.297 53.710 54.000 0.010 0.000 0.830 312 D CB 0.161 40.973 40.800 0.019 0.000 0.958 312 D HN 0.051 nan 8.370 nan 0.000 0.501 313 S N 0.589 116.283 115.700 -0.009 0.000 2.387 313 S HA -0.198 4.272 4.470 -0.000 0.000 0.230 313 S C 1.658 176.247 174.600 -0.017 0.000 1.035 313 S CA 1.218 59.409 58.200 -0.015 0.000 1.014 313 S CB -0.002 63.186 63.200 -0.021 0.000 0.836 313 S HN 0.415 nan 8.310 nan 0.000 0.466 314 K N -0.579 119.810 120.400 -0.018 0.000 2.166 314 K HA 0.148 4.468 4.320 -0.000 0.000 0.201 314 K C 0.693 177.287 176.600 -0.010 0.000 1.052 314 K CA 0.685 56.962 56.287 -0.018 0.000 0.969 314 K CB 0.330 32.818 32.500 -0.021 0.000 0.761 314 K HN 0.274 nan 8.250 nan 0.000 0.459 315 T N -1.152 113.401 114.554 -0.001 0.000 2.886 315 T HA 0.029 4.379 4.350 -0.000 0.000 0.341 315 T C -0.719 173.991 174.700 0.017 0.000 1.839 315 T CA -0.629 61.475 62.100 0.006 0.000 1.052 315 T CB 1.274 70.149 68.868 0.012 0.000 1.715 315 T HN -0.080 nan 8.240 nan 0.000 0.504 316 E N 1.303 121.514 120.200 0.018 0.000 2.216 316 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 316 E C 0.951 177.573 176.600 0.036 0.000 0.988 316 E CA 0.515 56.932 56.400 0.028 0.000 0.834 316 E CB 0.022 29.737 29.700 0.025 0.000 0.772 316 E HN 0.516 nan 8.360 nan 0.000 0.479 317 N N 1.793 120.515 118.700 0.036 0.000 2.652 317 N HA -0.045 4.694 4.740 -0.000 0.000 0.259 317 N C -0.809 174.740 175.510 0.065 0.000 1.240 317 N CA 0.015 53.095 53.050 0.050 0.000 0.951 317 N CB -0.261 38.257 38.487 0.051 0.000 1.281 317 N HN -0.056 nan 8.380 nan 0.000 0.507 318 T N -1.114 113.472 114.554 0.053 0.000 2.940 318 T HA 0.286 4.635 4.350 -0.000 0.000 0.309 318 T C 0.242 174.953 174.700 0.019 0.000 1.056 318 T CA -0.387 61.743 62.100 0.051 0.000 1.137 318 T CB 0.998 69.904 68.868 0.063 0.000 0.976 318 T HN 0.061 nan 8.240 nan 0.000 0.547 319 R N 1.285 121.776 120.500 -0.014 0.000 2.837 319 R HA 0.715 5.055 4.340 -0.000 0.000 0.271 319 R C -0.807 175.476 176.300 -0.028 0.000 0.993 319 R CA -0.919 55.091 56.100 -0.150 0.000 0.931 319 R CB 1.907 31.902 30.300 -0.508 0.000 1.206 319 R HN 0.712 nan 8.270 nan 0.000 0.474 320 S N -0.052 115.629 115.700 -0.031 0.000 2.502 320 S HA 0.430 4.900 4.470 -0.000 0.000 0.304 320 S C -0.998 173.649 174.600 0.078 0.000 1.097 320 S CA -0.420 57.857 58.200 0.129 0.000 1.045 320 S CB 1.162 64.525 63.200 0.271 0.000 1.019 320 S HN 0.519 nan 8.310 nan 0.000 0.481 321 S N 3.976 119.771 115.700 0.158 0.000 2.478 321 S HA 0.837 5.307 4.470 -0.000 0.000 0.312 321 S C -1.517 173.071 174.600 -0.020 0.000 1.094 321 S CA -0.513 57.721 58.200 0.057 0.000 1.081 321 S CB 0.378 63.756 63.200 0.296 0.000 1.007 321 S HN 0.786 nan 8.310 nan 0.000 0.475 322 Y N 1.703 121.912 120.300 -0.152 0.000 2.592 322 Y HA 0.684 5.234 4.550 -0.000 0.000 0.334 322 Y C -3.207 172.462 175.900 -0.384 0.000 1.136 322 Y CA -2.496 55.386 58.100 -0.363 0.000 1.042 322 Y CB 0.417 38.651 38.460 -0.378 0.000 1.325 322 Y HN 0.386 nan 8.280 nan 0.000 0.457 323 P HA 0.114 nan 4.420 nan 0.000 0.272 323 P C 0.722 178.020 177.300 -0.004 0.000 1.223 323 P CA -0.183 62.810 63.100 -0.178 0.000 0.784 323 P CB 1.878 33.490 31.700 -0.146 0.000 0.923 324 I N 2.397 122.965 120.570 -0.004 0.000 2.530 324 I HA -0.237 3.933 4.170 -0.000 0.000 0.257 324 I C 2.251 178.427 176.117 0.098 0.000 1.179 324 I CA 1.462 62.798 61.300 0.060 0.000 1.440 324 I CB -0.872 37.133 38.000 0.009 0.000 1.087 324 I HN 0.433 nan 8.210 nan 0.000 0.440 325 A N -1.208 121.670 122.820 0.097 0.000 2.121 325 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 325 A C 1.920 179.615 177.584 0.185 0.000 1.154 325 A CA 1.324 53.431 52.037 0.118 0.000 0.679 325 A CB -0.902 18.164 19.000 0.111 0.000 0.795 325 A HN 0.510 nan 8.150 nan 0.000 0.458 326 H N -0.633 118.452 119.070 0.025 0.000 2.462 326 H HA 0.222 4.778 4.556 -0.000 0.000 0.292 326 H C 0.600 175.870 175.328 -0.095 0.000 1.049 326 H CA 0.318 56.334 56.048 -0.053 0.000 1.334 326 H CB -0.165 29.524 29.762 -0.120 0.000 1.404 326 H HN 0.342 nan 8.280 nan 0.000 0.544 327 L N 0.841 122.120 121.223 0.094 0.000 2.417 327 L HA 0.053 4.393 4.340 -0.000 0.000 0.268 327 L C 1.332 178.206 176.870 0.007 0.000 1.158 327 L CA 0.020 54.877 54.840 0.029 0.000 0.819 327 L CB 1.222 43.327 42.059 0.077 0.000 1.112 327 L HN 0.300 nan 8.230 nan 0.000 0.458 328 E N 1.348 121.538 120.200 -0.017 0.000 2.024 328 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 328 E C 0.624 177.216 176.600 -0.012 0.000 0.974 328 E CA 0.567 56.955 56.400 -0.021 0.000 0.810 328 E CB 0.078 29.758 29.700 -0.034 0.000 0.775 328 E HN 0.554 nan 8.360 nan 0.000 0.453 329 N N 1.547 120.238 118.700 -0.014 0.000 3.124 329 N HA 0.099 4.839 4.740 -0.000 0.000 0.284 329 N C -0.892 174.616 175.510 -0.003 0.000 1.209 329 N CA -0.359 52.684 53.050 -0.013 0.000 1.149 329 N CB 0.296 38.770 38.487 -0.023 0.000 1.434 329 N HN -0.051 nan 8.380 nan 0.000 0.529 330 V N -0.749 119.168 119.914 0.005 0.000 3.141 330 V HA 0.557 4.677 4.120 -0.000 0.000 0.312 330 V C -0.214 175.888 176.094 0.014 0.000 1.157 330 V CA -0.833 61.475 62.300 0.014 0.000 1.041 330 V CB 1.724 33.562 31.823 0.025 0.000 1.071 330 V HN -0.119 nan 8.190 nan 0.000 0.441 331 V N 2.099 122.026 119.914 0.022 0.000 2.320 331 V HA 0.320 4.440 4.120 -0.000 0.000 0.265 331 V C 1.225 177.334 176.094 0.024 0.000 1.048 331 V CA -0.013 62.301 62.300 0.023 0.000 0.865 331 V CB -0.121 31.721 31.823 0.032 0.000 1.043 331 V HN 1.048 nan 8.190 nan 0.000 0.474 332 E N 2.935 123.143 120.200 0.014 0.000 2.086 332 E HA -0.241 4.109 4.350 -0.000 0.000 0.205 332 E C 2.322 178.920 176.600 -0.004 0.000 1.027 332 E CA 2.142 58.544 56.400 0.004 0.000 0.830 332 E CB -0.220 29.479 29.700 -0.002 0.000 0.751 332 E HN 0.893 nan 8.360 nan 0.000 0.456 333 S N -1.438 114.265 115.700 0.005 0.000 2.474 333 S HA 0.017 4.487 4.470 -0.000 0.000 0.235 333 S C 1.780 176.404 174.600 0.040 0.000 0.997 333 S CA 0.801 59.003 58.200 0.004 0.000 0.949 333 S CB -0.247 62.966 63.200 0.021 0.000 0.766 333 S HN 0.464 nan 8.310 nan 0.000 0.517 334 G N 0.047 108.885 108.800 0.063 0.000 2.153 334 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.252 334 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.252 334 G C 0.008 175.018 174.900 0.183 0.000 0.994 334 G CA 0.313 45.481 45.100 0.114 0.000 0.698 334 G HN 0.784 nan 8.290 nan 0.000 0.521 335 V N -0.547 119.454 119.914 0.146 0.000 2.914 335 V HA 1.005 5.124 4.120 -0.000 0.000 0.314 335 V C 0.365 176.518 176.094 0.098 0.000 1.084 335 V CA 0.056 62.458 62.300 0.169 0.000 0.963 335 V CB 1.849 33.763 31.823 0.152 0.000 1.025 335 V HN 1.635 nan 8.190 nan 0.000 0.432 336 A N 1.718 124.584 122.820 0.078 0.000 2.511 336 A HA 0.887 5.207 4.320 -0.000 0.000 0.293 336 A C -0.029 177.540 177.584 -0.026 0.000 1.098 336 A CA -0.043 52.005 52.037 0.019 0.000 0.643 336 A CB 0.761 19.759 19.000 -0.005 0.000 1.302 336 A HN 1.340 nan 8.150 nan 0.000 0.446 337 G N -1.170 107.607 108.800 -0.039 0.000 2.570 337 G HA2 0.478 4.438 3.960 -0.000 0.000 0.276 337 G HA3 0.478 4.438 3.960 -0.000 0.000 0.276 337 G C -0.190 174.611 174.900 -0.165 0.000 1.346 337 G CA -0.213 44.848 45.100 -0.064 0.000 1.034 337 G HN 0.844 nan 8.290 nan 0.000 0.512 338 H N 0.268 119.305 119.070 -0.055 0.000 2.707 338 H HA 0.274 4.829 4.556 -0.000 0.000 0.359 338 H C -1.897 173.287 175.328 -0.239 0.000 1.113 338 H CA -0.479 55.474 56.048 -0.159 0.000 1.422 338 H CB 0.556 30.281 29.762 -0.061 0.000 1.443 338 H HN 0.162 nan 8.280 nan 0.000 0.591 339 P HA 0.022 nan 4.420 nan 0.000 0.267 339 P C 0.283 177.492 177.300 -0.152 0.000 1.205 339 P CA -0.107 62.780 63.100 -0.355 0.000 0.765 339 P CB 0.842 32.146 31.700 -0.659 0.000 0.828 340 R N 2.007 122.438 120.500 -0.115 0.000 2.265 340 R HA 0.417 4.757 4.340 -0.000 0.000 0.194 340 R C 0.396 176.638 176.300 -0.097 0.000 0.931 340 R CA 0.144 56.211 56.100 -0.055 0.000 1.032 340 R CB -0.010 30.279 30.300 -0.017 0.000 0.980 340 R HN 0.487 nan 8.270 nan 0.000 0.497 341 A N 0.770 123.480 122.820 -0.183 0.000 2.547 341 A HA 0.698 5.017 4.320 -0.000 0.000 0.297 341 A C -1.107 176.157 177.584 -0.534 0.000 1.056 341 A CA -0.598 51.243 52.037 -0.325 0.000 0.688 341 A CB 1.469 20.330 19.000 -0.231 0.000 1.282 341 A HN 0.071 nan 8.150 nan 0.000 0.400 342 I N 1.458 121.601 120.570 -0.711 0.000 2.498 342 I HA 0.502 4.672 4.170 -0.000 0.000 0.290 342 I C -1.509 174.083 176.117 -0.875 0.000 1.032 342 I CA -0.333 60.592 61.300 -0.625 0.000 1.073 342 I CB 1.910 39.684 38.000 -0.376 0.000 1.251 342 I HN 0.567 nan 8.210 nan 0.000 0.426 343 F N 5.519 125.302 119.950 -0.279 0.000 2.467 343 F HA 0.507 5.034 4.527 -0.000 0.000 0.336 343 F C -0.505 175.334 175.800 0.064 0.000 1.123 343 F CA -0.620 57.286 58.000 -0.156 0.000 0.964 343 F CB 1.239 40.156 39.000 -0.138 0.000 1.136 343 F HN 0.140 nan 8.300 nan 0.000 0.447 344 F N 4.213 124.271 119.950 0.179 0.000 2.385 344 F HA 0.476 5.003 4.527 -0.000 0.000 0.360 344 F C -0.071 175.786 175.800 0.095 0.000 1.122 344 F CA -1.509 56.520 58.000 0.048 0.000 1.090 344 F CB 0.825 39.937 39.000 0.187 0.000 1.150 344 F HN 0.191 nan 8.300 nan 0.000 0.472 345 L N 2.879 124.231 121.223 0.215 0.000 2.307 345 L HA 0.600 4.940 4.340 -0.000 0.000 0.282 345 L C 0.038 177.039 176.870 0.219 0.000 1.051 345 L CA -0.364 54.584 54.840 0.180 0.000 0.804 345 L CB 1.450 43.579 42.059 0.116 0.000 1.197 345 L HN 0.476 nan 8.230 nan 0.000 0.431 346 S N 1.412 117.223 115.700 0.185 0.000 2.571 346 S HA 0.591 5.061 4.470 -0.000 0.000 0.284 346 S C -0.299 174.370 174.600 0.115 0.000 1.128 346 S CA -0.588 57.719 58.200 0.179 0.000 0.970 346 S CB 1.985 65.368 63.200 0.304 0.000 1.039 346 S HN 0.676 nan 8.310 nan 0.000 0.485 347 A N 2.432 125.295 122.820 0.071 0.000 2.774 347 A HA 0.437 4.757 4.320 -0.000 0.000 0.326 347 A C -0.347 177.411 177.584 0.290 0.000 1.478 347 A CA -0.462 51.666 52.037 0.151 0.000 1.099 347 A CB -0.377 18.723 19.000 0.167 0.000 1.148 347 A HN 0.667 nan 8.150 nan 0.000 0.519 348 D N 2.890 123.531 120.400 0.401 0.000 2.393 348 D HA 0.459 5.099 4.640 -0.000 0.000 0.232 348 D C 1.127 177.848 176.300 0.701 0.000 1.192 348 D CA 0.453 54.796 54.000 0.571 0.000 0.882 348 D CB 1.023 42.189 40.800 0.610 0.000 1.038 348 D HN 0.390 nan 8.370 nan 0.000 0.499 349 A N 3.628 126.754 122.820 0.510 0.000 2.015 349 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 349 A C 1.409 179.091 177.584 0.162 0.000 1.163 349 A CA 0.880 52.977 52.037 0.101 0.000 0.646 349 A CB -0.703 18.083 19.000 -0.356 0.000 0.806 349 A HN 0.692 nan 8.150 nan 0.000 0.448 350 Y N -0.337 120.156 120.300 0.321 0.000 2.483 350 Y HA 0.148 4.697 4.550 -0.000 0.000 0.291 350 Y C 2.040 178.250 175.900 0.516 0.000 1.143 350 Y CA 0.587 58.904 58.100 0.361 0.000 1.289 350 Y CB -0.490 38.177 38.460 0.345 0.000 0.983 350 Y HN 0.460 nan 8.280 nan 0.000 0.556 351 G N -0.554 108.639 108.800 0.656 0.000 2.179 351 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 351 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 351 G C 0.860 176.265 174.900 0.842 0.000 1.010 351 G CA 0.513 46.036 45.100 0.706 0.000 0.736 351 G HN 0.306 nan 8.290 nan 0.000 0.513 352 V N 0.131 120.412 119.914 0.611 0.000 2.575 352 V HA 0.239 4.359 4.120 -0.000 0.000 0.242 352 V C 1.899 178.231 176.094 0.396 0.000 1.045 352 V CA 1.220 63.769 62.300 0.415 0.000 1.065 352 V CB -0.166 31.783 31.823 0.211 0.000 0.717 352 V HN 0.431 nan 8.190 nan 0.000 0.467 353 L N 3.120 124.520 121.223 0.294 0.000 2.426 353 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 353 L C -1.995 174.968 176.870 0.155 0.000 1.169 353 L CA -1.435 53.504 54.840 0.165 0.000 0.836 353 L CB 0.070 42.187 42.059 0.096 0.000 1.112 353 L HN 0.134 nan 8.230 nan 0.000 0.465 354 P HA 0.104 nan 4.420 nan 0.000 0.272 354 P C -2.170 175.026 177.300 -0.174 0.000 1.223 354 P CA -1.485 61.630 63.100 0.025 0.000 0.784 354 P CB 0.336 32.072 31.700 0.059 0.000 0.923 355 P HA -0.092 nan 4.420 nan 0.000 0.216 355 P C 0.734 177.834 177.300 -0.334 0.000 1.154 355 P CA 1.722 64.419 63.100 -0.670 0.000 0.865 355 P CB 0.405 31.654 31.700 -0.753 0.000 0.789 356 I N -2.199 118.251 120.570 -0.199 0.000 2.827 356 I HA 0.618 4.788 4.170 -0.000 0.000 0.298 356 I C -1.932 174.119 176.117 -0.111 0.000 1.235 356 I CA -1.266 59.960 61.300 -0.123 0.000 1.021 356 I CB 2.299 40.249 38.000 -0.082 0.000 1.259 356 I HN -0.113 nan 8.210 nan 0.000 0.427 357 A N 6.166 128.909 122.820 -0.129 0.000 2.488 357 A HA 0.622 4.941 4.320 -0.000 0.000 0.295 357 A C -1.222 176.300 177.584 -0.102 0.000 1.045 357 A CA -0.641 51.264 52.037 -0.221 0.000 0.703 357 A CB 1.632 20.099 19.000 -0.888 0.000 1.271 357 A HN 0.781 nan 8.150 nan 0.000 0.400 358 R N 1.804 122.319 120.500 0.024 0.000 2.390 358 R HA 0.657 4.997 4.340 -0.000 0.000 0.291 358 R C -1.137 175.064 176.300 -0.165 0.000 1.070 358 R CA -0.242 55.763 56.100 -0.158 0.000 1.014 358 R CB 0.393 30.592 30.300 -0.169 0.000 1.007 358 R HN 0.675 nan 8.270 nan 0.000 0.466 359 L N 2.857 123.944 121.223 -0.227 0.000 2.334 359 L HA 0.444 4.783 4.340 -0.000 0.000 0.273 359 L C 0.159 176.979 176.870 -0.083 0.000 1.013 359 L CA -0.970 53.829 54.840 -0.067 0.000 0.816 359 L CB 2.008 44.071 42.059 0.008 0.000 1.278 359 L HN 0.772 nan 8.230 nan 0.000 0.431 360 S N 0.718 116.419 115.700 0.001 0.000 2.652 360 S HA 0.430 4.900 4.470 -0.000 0.000 0.270 360 S C -2.038 172.569 174.600 0.011 0.000 1.243 360 S CA -1.219 56.968 58.200 -0.023 0.000 0.999 360 S CB 1.364 64.561 63.200 -0.005 0.000 0.973 360 S HN 0.388 nan 8.310 nan 0.000 0.544 361 P HA -0.152 nan 4.420 nan 0.000 0.216 361 P C 1.053 178.387 177.300 0.057 0.000 1.157 361 P CA 1.541 64.644 63.100 0.004 0.000 0.880 361 P CB -0.101 31.583 31.700 -0.026 0.000 0.791 362 E N -0.055 120.174 120.200 0.049 0.000 2.058 362 E HA -0.208 4.141 4.350 -0.000 0.000 0.194 362 E C 2.006 178.690 176.600 0.139 0.000 0.997 362 E CA 1.370 57.814 56.400 0.073 0.000 0.801 362 E CB -0.821 28.898 29.700 0.032 0.000 0.746 362 E HN 0.444 nan 8.360 nan 0.000 0.450 363 E N 0.221 120.517 120.200 0.160 0.000 2.106 363 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 363 E C 2.066 178.956 176.600 0.484 0.000 0.984 363 E CA 0.803 57.382 56.400 0.297 0.000 0.806 363 E CB -0.153 29.749 29.700 0.336 0.000 0.750 363 E HN 0.304 nan 8.360 nan 0.000 0.458 364 A N 0.968 124.005 122.820 0.363 0.000 1.940 364 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 364 A C 2.127 180.022 177.584 0.519 0.000 1.176 364 A CA 1.387 53.714 52.037 0.484 0.000 0.631 364 A CB -0.398 18.740 19.000 0.229 0.000 0.814 364 A HN 0.155 nan 8.150 nan 0.000 0.446 365 M N -2.584 117.215 119.600 0.332 0.000 2.200 365 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 365 M C 2.214 178.720 176.300 0.344 0.000 1.066 365 M CA 1.610 57.095 55.300 0.309 0.000 1.127 365 M CB -0.366 32.355 32.600 0.201 0.000 1.379 365 M HN 0.625 nan 8.290 nan 0.000 0.420 366 Y N -0.091 120.308 120.300 0.164 0.000 2.163 366 Y HA -0.269 4.281 4.550 -0.000 0.000 0.288 366 Y C 1.853 177.762 175.900 0.016 0.000 1.136 366 Y CA 1.762 59.861 58.100 -0.002 0.000 1.147 366 Y CB -0.316 37.944 38.460 -0.335 0.000 0.987 366 Y HN 0.084 nan 8.280 nan 0.000 0.509 367 Y N -1.562 119.000 120.300 0.437 0.000 2.373 367 Y HA -0.143 4.407 4.550 -0.000 0.000 0.293 367 Y C 2.157 178.096 175.900 0.064 0.000 1.129 367 Y CA 1.184 59.505 58.100 0.368 0.000 1.226 367 Y CB -0.790 37.990 38.460 0.534 0.000 1.000 367 Y HN 0.271 nan 8.280 nan 0.000 0.549 368 F N -0.000 119.946 119.950 -0.006 0.000 2.134 368 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 368 F C 1.855 177.464 175.800 -0.318 0.000 1.097 368 F CA 1.400 59.221 58.000 -0.298 0.000 1.264 368 F CB -0.559 38.368 39.000 -0.123 0.000 1.001 368 F HN -0.045 nan 8.300 nan 0.000 0.479 369 L N -0.943 120.131 121.223 -0.248 0.000 2.093 369 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 369 L C 2.521 179.082 176.870 -0.514 0.000 1.085 369 L CA 1.269 55.834 54.840 -0.459 0.000 0.755 369 L CB -0.725 41.201 42.059 -0.221 0.000 0.904 369 L HN 0.078 nan 8.230 nan 0.000 0.435 370 S N -0.162 115.381 115.700 -0.263 0.000 2.343 370 S HA -0.089 4.381 4.470 -0.000 0.000 0.219 370 S C 1.308 175.828 174.600 -0.132 0.000 1.033 370 S CA 0.966 59.150 58.200 -0.026 0.000 1.014 370 S CB -0.613 62.793 63.200 0.344 0.000 0.915 370 S HN 0.616 nan 8.310 nan 0.000 0.435 371 G N 1.415 109.900 108.800 -0.526 0.000 2.359 371 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.298 371 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.298 371 G C -0.345 174.383 174.900 -0.286 0.000 1.030 371 G CA 0.364 44.846 45.100 -1.030 0.000 1.149 371 G HN 0.571 nan 8.290 nan 0.000 0.512 372 Y N 1.532 121.773 120.300 -0.097 0.000 2.350 372 Y HA 0.643 5.193 4.550 -0.000 0.000 0.340 372 Y C 0.241 176.117 175.900 -0.041 0.000 1.006 372 Y CA -0.246 57.712 58.100 -0.236 0.000 1.166 372 Y CB 1.440 39.789 38.460 -0.185 0.000 1.168 372 Y HN 0.205 nan 8.280 nan 0.000 0.502 373 T N 5.555 119.524 114.554 -0.975 0.000 2.912 373 T HA 0.749 5.099 4.350 -0.000 0.000 0.299 373 T C -0.976 173.295 174.700 -0.716 0.000 1.052 373 T CA -0.559 61.079 62.100 -0.771 0.000 0.996 373 T CB 1.333 70.070 68.868 -0.218 0.000 1.070 373 T HN 0.811 nan 8.240 nan 0.000 0.465 374 A N 2.820 125.394 122.820 -0.410 0.000 2.304 374 A HA 0.854 5.174 4.320 -0.000 0.000 0.301 374 A C -0.075 177.458 177.584 -0.084 0.000 1.132 374 A CA -0.643 51.319 52.037 -0.125 0.000 0.819 374 A CB 0.566 19.633 19.000 0.112 0.000 1.094 374 A HN 0.580 nan 8.150 nan 0.000 0.492 375 R N -0.006 120.430 120.500 -0.107 0.000 2.854 375 R HA 0.840 5.180 4.340 -0.000 0.000 0.271 375 R C -0.863 175.295 176.300 -0.235 0.000 0.996 375 R CA -0.596 55.426 56.100 -0.131 0.000 0.961 375 R CB 1.560 31.816 30.300 -0.072 0.000 1.182 375 R HN 0.974 nan 8.270 nan 0.000 0.479 387 R N 1.995 122.439 120.500 -0.092 0.000 2.435 387 R HA 0.725 5.065 4.340 -0.000 0.000 0.308 387 R C -0.043 176.329 176.300 0.120 0.000 0.975 387 R CA -0.265 55.870 56.100 0.058 0.000 0.867 387 R CB 1.714 32.031 30.300 0.028 0.000 1.171 387 R HN 0.677 nan 8.270 nan 0.000 0.470 388 A N 2.650 125.659 122.820 0.315 0.000 2.429 388 A HA 0.408 4.728 4.320 -0.000 0.000 0.242 388 A C -0.489 177.085 177.584 -0.016 0.000 1.088 388 A CA 0.271 52.435 52.037 0.213 0.000 0.784 388 A CB 0.585 19.806 19.000 0.368 0.000 1.038 388 A HN 0.710 nan 8.150 nan 0.000 0.501 389 T N 0.422 114.784 114.554 -0.320 0.000 3.041 389 T HA 0.538 4.888 4.350 -0.000 0.000 0.321 389 T C -1.322 173.105 174.700 -0.455 0.000 1.184 389 T CA -0.118 61.855 62.100 -0.210 0.000 1.050 389 T CB 0.721 69.519 68.868 -0.117 0.000 1.159 389 T HN 0.359 nan 8.240 nan 0.000 0.469 390 F N 1.479 121.442 119.950 0.022 0.000 2.460 390 F HA 0.633 5.160 4.527 -0.000 0.000 0.341 390 F C 0.599 176.372 175.800 -0.046 0.000 1.130 390 F CA -0.807 57.182 58.000 -0.018 0.000 0.962 390 F CB 2.048 41.045 39.000 -0.004 0.000 1.171 390 F HN 0.459 nan 8.300 nan 0.000 0.436 391 S N 2.958 118.657 115.700 -0.002 0.000 2.667 391 S HA 0.706 5.176 4.470 -0.000 0.000 0.304 391 S C -0.119 174.336 174.600 -0.242 0.000 1.135 391 S CA -0.628 57.541 58.200 -0.052 0.000 1.125 391 S CB 0.189 63.382 63.200 -0.010 0.000 0.996 391 S HN 0.822 nan 8.310 nan 0.000 0.474 392 A N 2.799 125.452 122.820 -0.279 0.000 2.598 392 A HA 0.192 4.512 4.320 -0.000 0.000 0.239 392 A C 1.449 178.678 177.584 -0.592 0.000 1.032 392 A CA 0.601 52.298 52.037 -0.566 0.000 0.760 392 A CB -1.232 17.351 19.000 -0.695 0.000 0.946 392 A HN 1.754 nan 8.150 nan 0.000 0.512 393 C N 0.466 119.177 119.300 -0.980 0.000 4.265 393 C HA -0.236 4.224 4.460 -0.000 0.000 0.287 393 C C 0.743 175.549 174.990 -0.307 0.000 1.451 393 C CA 0.773 59.033 59.018 -1.264 0.000 1.966 393 C CB -3.243 24.036 27.740 -0.768 0.000 1.302 393 C HN 1.665 nan 8.230 nan 0.000 0.794 394 F N -2.149 117.675 119.950 -0.210 0.000 3.084 394 F HA -0.093 4.434 4.527 -0.000 0.000 0.286 394 F C 1.036 177.054 175.800 0.363 0.000 0.855 394 F CA 1.673 59.735 58.000 0.103 0.000 1.091 394 F CB -1.592 37.545 39.000 0.228 0.000 1.177 394 F HN 0.901 nan 8.300 nan 0.000 0.542 395 G N -1.580 107.410 108.800 0.316 0.000 4.529 395 G HA2 0.509 4.469 3.960 -0.000 0.000 0.230 395 G HA3 0.509 4.469 3.960 -0.000 0.000 0.230 395 G C 0.527 175.437 174.900 0.017 0.000 3.287 395 G CA -0.027 45.294 45.100 0.368 0.000 0.646 395 G HN 0.672 nan 8.290 nan 0.000 0.205 396 A N 1.083 123.863 122.820 -0.068 0.000 1.978 396 A HA 0.107 4.427 4.320 -0.000 0.000 0.220 396 A C 0.360 177.862 177.584 -0.138 0.000 1.170 396 A CA 1.902 53.924 52.037 -0.024 0.000 0.636 396 A CB -0.662 18.396 19.000 0.097 0.000 0.810 396 A HN 0.367 nan 8.150 nan 0.000 0.448 397 P HA -0.053 nan 4.420 nan 0.000 0.228 397 P C 0.162 177.035 177.300 -0.711 0.000 1.151 397 P CA 0.780 63.472 63.100 -0.680 0.000 0.770 397 P CB -0.080 31.064 31.700 -0.927 0.000 0.786 398 F N -2.219 117.722 119.950 -0.015 0.000 2.661 398 F HA 0.254 4.781 4.527 -0.000 0.000 0.306 398 F C 0.699 176.398 175.800 -0.169 0.000 1.094 398 F CA -0.662 57.276 58.000 -0.102 0.000 1.254 398 F CB -0.526 38.384 39.000 -0.150 0.000 1.040 398 F HN -0.264 nan 8.300 nan 0.000 0.562 399 L N 4.230 125.456 121.223 0.005 0.000 2.268 399 L HA 0.260 4.600 4.340 -0.000 0.000 0.289 399 L C -1.298 175.694 176.870 0.203 0.000 1.064 399 L CA -1.360 53.499 54.840 0.032 0.000 0.824 399 L CB 0.950 43.007 42.059 -0.004 0.000 1.202 399 L HN -0.178 nan 8.230 nan 0.000 0.433 400 P HA -0.038 nan 4.420 nan 0.000 0.224 400 P C 0.563 177.924 177.300 0.100 0.000 1.157 400 P CA 0.921 64.105 63.100 0.141 0.000 0.799 400 P CB 0.681 32.491 31.700 0.183 0.000 0.809 401 M N -0.850 118.877 119.600 0.211 0.000 2.494 401 M HA 0.229 4.708 4.480 -0.000 0.000 0.300 401 M C 0.821 177.150 176.300 0.048 0.000 1.189 401 M CA -0.812 54.541 55.300 0.088 0.000 0.982 401 M CB 0.688 33.278 32.600 -0.016 0.000 1.534 401 M HN -0.101 nan 8.290 nan 0.000 0.488 402 H N 1.063 120.085 119.070 -0.080 0.000 2.897 402 H HA 0.028 4.584 4.556 -0.000 0.000 0.347 402 H C -1.709 173.456 175.328 -0.273 0.000 1.068 402 H CA -0.589 55.245 56.048 -0.358 0.000 1.426 402 H CB 0.299 29.904 29.762 -0.261 0.000 1.410 402 H HN 0.319 nan 8.280 nan 0.000 0.597 403 P HA -0.133 nan 4.420 nan 0.000 0.218 403 P C 1.624 178.919 177.300 -0.009 0.000 1.148 403 P CA 1.388 64.388 63.100 -0.168 0.000 0.822 403 P CB -0.005 31.358 31.700 -0.563 0.000 0.784 404 G N -0.119 108.631 108.800 -0.084 0.000 2.442 404 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 404 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 404 G C 1.613 176.490 174.900 -0.038 0.000 1.141 404 G CA 0.681 45.751 45.100 -0.049 0.000 0.763 404 G HN 0.176 nan 8.290 nan 0.000 0.554 405 V N -0.057 119.783 119.914 -0.124 0.000 2.343 405 V HA -0.213 3.906 4.120 -0.000 0.000 0.247 405 V C 2.431 178.400 176.094 -0.209 0.000 1.051 405 V CA 1.655 63.809 62.300 -0.244 0.000 1.036 405 V CB -0.721 30.838 31.823 -0.441 0.000 0.654 405 V HN 0.467 nan 8.190 nan 0.000 0.451 406 Y N 0.593 120.984 120.300 0.152 0.000 2.220 406 Y HA -0.017 4.533 4.550 -0.000 0.000 0.291 406 Y C 2.549 178.655 175.900 0.343 0.000 1.129 406 Y CA 1.086 59.407 58.100 0.368 0.000 1.161 406 Y CB -1.077 37.674 38.460 0.485 0.000 0.997 406 Y HN 0.161 nan 8.280 nan 0.000 0.522 407 A N 0.572 123.659 122.820 0.445 0.000 1.908 407 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 407 A C 2.263 179.881 177.584 0.056 0.000 1.181 407 A CA 1.836 54.066 52.037 0.321 0.000 0.627 407 A CB -0.631 18.526 19.000 0.263 0.000 0.818 407 A HN 0.411 nan 8.150 nan 0.000 0.445 408 R N -1.254 119.257 120.500 0.018 0.000 2.081 408 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 408 R C 2.305 178.521 176.300 -0.140 0.000 1.131 408 R CA 1.715 57.782 56.100 -0.055 0.000 0.960 408 R CB -0.362 29.904 30.300 -0.057 0.000 0.856 408 R HN 0.557 nan 8.270 nan 0.000 0.436 409 M N 0.144 119.651 119.600 -0.155 0.000 2.117 409 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 409 M C 2.247 178.173 176.300 -0.624 0.000 1.065 409 M CA 1.278 56.408 55.300 -0.283 0.000 1.114 409 M CB -0.302 32.245 32.600 -0.088 0.000 1.361 409 M HN 0.153 nan 8.290 nan 0.000 0.408 410 L N 0.517 121.257 121.223 -0.804 0.000 2.042 410 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 410 L C 2.273 178.864 176.870 -0.466 0.000 1.076 410 L CA 2.231 56.521 54.840 -0.917 0.000 0.749 410 L CB -1.227 40.362 42.059 -0.783 0.000 0.893 410 L HN 0.243 nan 8.230 nan 0.000 0.432 411 G N -0.753 107.877 108.800 -0.283 0.000 2.446 411 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.217 411 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.217 411 G C 1.385 176.163 174.900 -0.203 0.000 1.168 411 G CA 0.985 45.981 45.100 -0.172 0.000 0.771 411 G HN 0.596 nan 8.290 nan 0.000 0.551 412 E N 0.831 120.889 120.200 -0.238 0.000 2.085 412 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 412 E C 2.287 178.711 176.600 -0.293 0.000 0.994 412 E CA 1.476 57.739 56.400 -0.230 0.000 0.801 412 E CB -0.225 29.347 29.700 -0.213 0.000 0.743 412 E HN 0.225 nan 8.360 nan 0.000 0.453 413 K N 0.317 120.444 120.400 -0.455 0.000 2.057 413 K HA -0.042 4.277 4.320 -0.000 0.000 0.207 413 K C 2.335 178.747 176.600 -0.313 0.000 1.049 413 K CA 1.391 57.299 56.287 -0.631 0.000 0.931 413 K CB -0.385 31.246 32.500 -1.449 0.000 0.714 413 K HN 0.346 nan 8.250 nan 0.000 0.440 414 I N 0.702 121.144 120.570 -0.214 0.000 2.202 414 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 414 I C 2.301 178.382 176.117 -0.060 0.000 1.091 414 I CA 1.094 62.377 61.300 -0.028 0.000 1.368 414 I CB -0.183 37.790 38.000 -0.045 0.000 1.058 414 I HN 0.117 nan 8.210 nan 0.000 0.410 415 R N 0.578 121.010 120.500 -0.113 0.000 2.285 415 R HA -0.162 4.178 4.340 -0.000 0.000 0.213 415 R C 2.034 178.243 176.300 -0.152 0.000 1.068 415 R CA 0.785 56.817 56.100 -0.113 0.000 1.004 415 R CB -0.141 30.094 30.300 -0.108 0.000 0.873 415 R HN 0.181 nan 8.270 nan 0.000 0.467 416 K N -0.398 119.871 120.400 -0.219 0.000 2.276 416 K HA -0.001 4.319 4.320 -0.000 0.000 0.198 416 K C 1.146 177.410 176.600 -0.561 0.000 1.052 416 K CA 1.114 57.167 56.287 -0.390 0.000 0.984 416 K CB 0.346 32.552 32.500 -0.490 0.000 0.836 416 K HN 0.176 nan 8.250 nan 0.000 0.490 417 H N -0.449 118.583 119.070 -0.062 0.000 2.893 417 H HA 0.376 4.932 4.556 -0.000 0.000 0.270 417 H C -0.106 175.234 175.328 0.021 0.000 1.095 417 H CA 0.392 56.434 56.048 -0.010 0.000 1.186 417 H CB 0.778 30.613 29.762 0.122 0.000 1.562 417 H HN 0.219 nan 8.280 nan 0.000 0.536 418 A N 2.291 125.145 122.820 0.055 0.000 2.560 418 A HA -0.156 4.163 4.320 -0.000 0.000 0.299 418 A C -2.002 175.595 177.584 0.022 0.000 1.484 418 A CA 0.152 52.197 52.037 0.013 0.000 0.749 418 A CB -1.702 17.286 19.000 -0.020 0.000 1.072 418 A HN 0.307 nan 8.150 nan 0.000 0.426 419 P HA 0.406 nan 4.420 nan 0.000 0.279 419 P C -0.318 176.903 177.300 -0.131 0.000 1.252 419 P CA -0.516 62.573 63.100 -0.017 0.000 0.811 419 P CB 0.649 32.359 31.700 0.017 0.000 1.035 420 R N 0.646 121.030 120.500 -0.193 0.000 2.234 420 R HA 0.430 4.770 4.340 -0.000 0.000 0.324 420 R C -0.432 175.517 176.300 -0.586 0.000 1.054 420 R CA -0.703 55.176 56.100 -0.368 0.000 0.912 420 R CB 0.645 30.796 30.300 -0.249 0.000 1.030 420 R HN 0.272 nan 8.270 nan 0.000 0.455 421 V N 4.782 124.277 119.914 -0.698 0.000 2.435 421 V HA 0.386 4.505 4.120 -0.000 0.000 0.290 421 V C -0.797 174.787 176.094 -0.849 0.000 1.030 421 V CA -0.719 61.162 62.300 -0.698 0.000 0.881 421 V CB 0.876 32.410 31.823 -0.481 0.000 0.983 421 V HN 0.586 nan 8.190 nan 0.000 0.445 422 Y N 3.758 123.740 120.300 -0.530 0.000 2.536 422 Y HA 0.700 5.250 4.550 -0.000 0.000 0.347 422 Y C -0.414 175.343 175.900 -0.238 0.000 1.000 422 Y CA -1.110 56.797 58.100 -0.321 0.000 1.051 422 Y CB 1.899 40.248 38.460 -0.185 0.000 1.259 422 Y HN 0.489 nan 8.280 nan 0.000 0.468 423 L N 2.788 123.993 121.223 -0.030 0.000 2.296 423 L HA 0.781 5.121 4.340 -0.000 0.000 0.286 423 L C -1.275 175.582 176.870 -0.022 0.000 1.023 423 L CA -0.688 54.130 54.840 -0.037 0.000 0.812 423 L CB 1.188 43.045 42.059 -0.337 0.000 1.223 423 L HN 0.455 nan 8.230 nan 0.000 0.421 424 V N 4.556 124.512 119.914 0.071 0.000 2.483 424 V HA 0.425 4.545 4.120 -0.000 0.000 0.297 424 V C -0.420 175.671 176.094 -0.005 0.000 1.027 424 V CA -0.804 61.502 62.300 0.011 0.000 0.855 424 V CB 1.603 33.462 31.823 0.060 0.000 0.995 424 V HN 0.792 nan 8.190 nan 0.000 0.424 425 N N 2.962 121.601 118.700 -0.102 0.000 2.420 425 N HA 0.231 4.971 4.740 -0.000 0.000 0.249 425 N C 0.945 176.368 175.510 -0.144 0.000 1.033 425 N CA 0.242 53.251 53.050 -0.068 0.000 0.944 425 N CB 1.576 40.024 38.487 -0.065 0.000 1.113 425 N HN 0.800 nan 8.380 nan 0.000 0.502 426 T N -0.346 114.172 114.554 -0.061 0.000 3.040 426 T HA 0.270 4.620 4.350 -0.000 0.000 0.250 426 T C 1.272 175.878 174.700 -0.157 0.000 1.058 426 T CA 0.118 62.168 62.100 -0.082 0.000 0.988 426 T CB -0.011 68.815 68.868 -0.069 0.000 0.993 426 T HN 0.308 nan 8.240 nan 0.000 0.519 427 G N 0.787 109.519 108.800 -0.113 0.000 2.751 427 G HA2 0.325 4.285 3.960 -0.000 0.000 0.142 427 G HA3 0.325 4.285 3.960 -0.000 0.000 0.142 427 G C -0.239 174.434 174.900 -0.378 0.000 1.783 427 G CA -0.454 44.480 45.100 -0.276 0.000 1.018 427 G HN 0.470 nan 8.290 nan 0.000 0.474 428 W N -1.738 119.677 121.300 0.192 0.000 2.647 428 W HA 0.607 5.267 4.660 -0.000 0.000 0.353 428 W C -0.016 176.609 176.519 0.177 0.000 1.080 428 W CA -0.369 57.066 57.345 0.149 0.000 1.208 428 W CB 1.640 31.172 29.460 0.119 0.000 1.396 428 W HN 0.521 nan 8.180 nan 0.000 0.573 429 T N -1.476 113.180 114.554 0.170 0.000 2.754 429 T HA 0.472 4.822 4.350 -0.000 0.000 0.296 429 T C 0.287 174.833 174.700 -0.257 0.000 1.205 429 T CA 0.353 62.557 62.100 0.174 0.000 1.009 429 T CB 1.035 70.122 68.868 0.366 0.000 1.368 429 T HN 0.928 nan 8.240 nan 0.000 0.509 430 G N 0.405 109.192 108.800 -0.022 0.000 2.323 430 G HA2 0.304 4.263 3.960 -0.000 0.000 0.292 430 G HA3 0.304 4.263 3.960 -0.000 0.000 0.292 430 G C 0.975 175.388 174.900 -0.812 0.000 1.040 430 G CA 0.894 45.825 45.100 -0.280 0.000 0.942 430 G HN 1.987 nan 8.290 nan 0.000 0.506 431 G N -1.926 105.996 108.800 -1.464 0.000 2.484 431 G HA2 0.384 4.344 3.960 -0.000 0.000 0.685 431 G HA3 0.384 4.344 3.960 -0.000 0.000 0.685 431 G C -2.496 172.111 174.900 -0.488 0.000 1.294 431 G CA -0.186 44.044 45.100 -1.450 0.000 0.879 431 G HN 0.614 nan 8.290 nan 0.000 0.646 432 P HA 0.297 nan 4.420 nan 0.000 0.274 432 P C -0.336 176.856 177.300 -0.181 0.000 1.260 432 P CA -0.388 62.656 63.100 -0.092 0.000 0.793 432 P CB 0.260 31.918 31.700 -0.070 0.000 1.048 433 Y N 0.674 120.730 120.300 -0.407 0.000 2.650 433 Y HA 0.328 4.878 4.550 -0.000 0.000 0.342 433 Y C 1.377 177.066 175.900 -0.352 0.000 1.110 433 Y CA 2.015 59.747 58.100 -0.613 0.000 1.438 433 Y CB -0.755 37.138 38.460 -0.945 0.000 1.181 433 Y HN 0.726 nan 8.280 nan 0.000 0.526 434 G N 3.035 111.360 108.800 -0.792 0.000 3.330 434 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.197 434 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.197 434 G C 0.432 175.152 174.900 -0.301 0.000 1.284 434 G CA 0.082 44.854 45.100 -0.546 0.000 0.921 434 G HN 0.557 nan 8.290 nan 0.000 0.466 435 V N 1.822 121.586 119.914 -0.250 0.000 2.436 435 V HA 0.461 4.581 4.120 -0.000 0.000 0.240 435 V C 2.069 178.074 176.094 -0.149 0.000 1.040 435 V CA 1.717 63.904 62.300 -0.189 0.000 1.052 435 V CB -0.481 31.204 31.823 -0.231 0.000 0.707 435 V HN 0.786 nan 8.190 nan 0.000 0.469 436 G N -0.664 108.018 108.800 -0.197 0.000 2.562 436 G HA2 0.419 4.378 3.960 -0.000 0.000 0.275 436 G HA3 0.419 4.378 3.960 -0.000 0.000 0.275 436 G C -0.787 174.124 174.900 0.018 0.000 1.196 436 G CA -0.231 44.762 45.100 -0.179 0.000 0.908 436 G HN 0.409 nan 8.290 nan 0.000 0.524 437 Y N -1.229 119.151 120.300 0.133 0.000 2.403 437 Y HA 0.683 5.233 4.550 -0.000 0.000 0.323 437 Y C 0.631 176.643 175.900 0.187 0.000 1.226 437 Y CA -1.738 56.455 58.100 0.155 0.000 1.235 437 Y CB 0.872 39.343 38.460 0.017 0.000 1.248 437 Y HN 0.536 nan 8.280 nan 0.000 0.489 438 R N 1.886 122.457 120.500 0.117 0.000 2.438 438 R HA 0.236 4.576 4.340 -0.000 0.000 0.287 438 R C -1.044 175.230 176.300 -0.045 0.000 1.077 438 R CA -0.595 55.301 56.100 -0.340 0.000 1.034 438 R CB 0.247 30.214 30.300 -0.556 0.000 0.993 438 R HN 0.803 nan 8.270 nan 0.000 0.459 439 F N 6.602 126.459 119.950 -0.155 0.000 2.612 439 F HA 0.022 4.549 4.527 -0.000 0.000 0.389 439 F C -1.286 174.505 175.800 -0.015 0.000 1.055 439 F CA -0.818 57.182 58.000 -0.001 0.000 1.232 439 F CB 0.453 39.435 39.000 -0.030 0.000 1.044 439 F HN 0.474 nan 8.300 nan 0.000 0.560 440 P HA -0.098 nan 4.420 nan 0.000 0.264 440 P C 0.640 177.973 177.300 0.054 0.000 1.193 440 P CA -0.103 62.980 63.100 -0.029 0.000 0.763 440 P CB 1.043 32.677 31.700 -0.111 0.000 0.810 441 L N 6.591 127.822 121.223 0.013 0.000 2.012 441 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 441 L C -0.836 176.032 176.870 -0.005 0.000 1.073 441 L CA 2.352 57.193 54.840 0.001 0.000 0.748 441 L CB -2.218 39.822 42.059 -0.031 0.000 0.891 441 L HN 0.304 nan 8.230 nan 0.000 0.431 442 P HA -0.128 nan 4.420 nan 0.000 0.219 442 P C 1.956 179.254 177.300 -0.003 0.000 1.146 442 P CA 1.163 64.248 63.100 -0.025 0.000 0.808 442 P CB 0.036 31.715 31.700 -0.036 0.000 0.779 443 V N -0.958 118.979 119.914 0.038 0.000 2.379 443 V HA -0.182 3.937 4.120 -0.000 0.000 0.245 443 V C 2.276 178.427 176.094 0.095 0.000 1.044 443 V CA 2.305 64.659 62.300 0.090 0.000 1.036 443 V CB -1.655 30.275 31.823 0.179 0.000 0.664 443 V HN 0.157 nan 8.190 nan 0.000 0.453 444 T N -0.237 114.380 114.554 0.104 0.000 2.746 444 T HA -0.188 4.161 4.350 -0.000 0.000 0.267 444 T C 2.075 176.734 174.700 -0.068 0.000 1.039 444 T CA 1.424 63.528 62.100 0.007 0.000 1.142 444 T CB -0.236 68.627 68.868 -0.008 0.000 0.866 444 T HN 0.385 nan 8.240 nan 0.000 0.444 445 R N 0.806 121.268 120.500 -0.063 0.000 2.096 445 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 445 R C 2.785 179.034 176.300 -0.085 0.000 1.127 445 R CA 1.265 57.308 56.100 -0.094 0.000 0.968 445 R CB -0.434 29.817 30.300 -0.081 0.000 0.861 445 R HN 0.366 nan 8.270 nan 0.000 0.440 446 A N 1.205 123.993 122.820 -0.053 0.000 1.902 446 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 446 A C 2.173 179.722 177.584 -0.059 0.000 1.181 446 A CA 1.097 53.108 52.037 -0.044 0.000 0.623 446 A CB -0.496 18.493 19.000 -0.020 0.000 0.818 446 A HN 0.171 nan 8.150 nan 0.000 0.443 447 L N -0.515 120.669 121.223 -0.066 0.000 2.046 447 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 447 L C 2.555 179.335 176.870 -0.151 0.000 1.077 447 L CA 0.996 55.778 54.840 -0.095 0.000 0.747 447 L CB -0.532 41.469 42.059 -0.096 0.000 0.896 447 L HN 0.382 nan 8.230 nan 0.000 0.432 448 L N -0.251 120.851 121.223 -0.201 0.000 2.056 448 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 448 L C 2.683 179.462 176.870 -0.153 0.000 1.078 448 L CA 1.342 56.000 54.840 -0.303 0.000 0.749 448 L CB -0.558 41.242 42.059 -0.431 0.000 0.901 448 L HN 0.266 nan 8.230 nan 0.000 0.433 449 K N 0.588 120.923 120.400 -0.108 0.000 2.032 449 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 449 K C 2.158 178.738 176.600 -0.033 0.000 1.048 449 K CA 1.624 57.878 56.287 -0.056 0.000 0.927 449 K CB -0.135 32.335 32.500 -0.050 0.000 0.712 449 K HN 0.252 nan 8.250 nan 0.000 0.441 450 A N 0.844 123.640 122.820 -0.042 0.000 1.902 450 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 450 A C 2.334 179.912 177.584 -0.010 0.000 1.181 450 A CA 1.915 53.939 52.037 -0.022 0.000 0.623 450 A CB -0.893 18.090 19.000 -0.028 0.000 0.818 450 A HN 0.510 nan 8.150 nan 0.000 0.443 451 A N -0.557 122.229 122.820 -0.056 0.000 1.933 451 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 451 A C 2.151 179.774 177.584 0.064 0.000 1.175 451 A CA 1.505 53.494 52.037 -0.080 0.000 0.628 451 A CB -0.486 18.274 19.000 -0.399 0.000 0.814 451 A HN 0.470 nan 8.150 nan 0.000 0.444 452 L N 0.089 121.360 121.223 0.080 0.000 2.179 452 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 452 L C 2.872 179.778 176.870 0.059 0.000 1.096 452 L CA 1.266 56.165 54.840 0.099 0.000 0.779 452 L CB -0.239 41.877 42.059 0.094 0.000 0.922 452 L HN 0.575 nan 8.230 nan 0.000 0.443 453 S N -0.843 114.880 115.700 0.039 0.000 2.453 453 S HA 0.032 4.501 4.470 -0.000 0.000 0.231 453 S C 1.635 176.258 174.600 0.039 0.000 1.005 453 S CA 0.712 58.931 58.200 0.031 0.000 0.949 453 S CB 0.220 63.430 63.200 0.017 0.000 0.774 453 S HN 0.529 nan 8.310 nan 0.000 0.510 454 G N 0.516 109.349 108.800 0.054 0.000 2.195 454 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.224 454 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.224 454 G C 0.974 175.913 174.900 0.065 0.000 0.990 454 G CA 0.129 45.267 45.100 0.063 0.000 0.639 454 G HN 1.192 nan 8.290 nan 0.000 0.514 455 A N 0.015 122.865 122.820 0.051 0.000 2.070 455 A HA 0.330 4.650 4.320 -0.000 0.000 0.220 455 A C 2.185 179.807 177.584 0.063 0.000 1.159 455 A CA 1.679 53.742 52.037 0.044 0.000 0.656 455 A CB -0.257 18.756 19.000 0.023 0.000 0.800 455 A HN 0.789 nan 8.150 nan 0.000 0.453 456 L N -0.678 120.601 121.223 0.095 0.000 2.558 456 L HA 0.020 4.360 4.340 -0.000 0.000 0.225 456 L C 1.779 178.799 176.870 0.249 0.000 1.128 456 L CA 0.138 55.068 54.840 0.150 0.000 0.868 456 L CB -0.219 41.947 42.059 0.179 0.000 1.006 456 L HN 0.301 nan 8.230 nan 0.000 0.454 457 E N 0.633 120.939 120.200 0.176 0.000 2.208 457 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 457 E C 0.601 177.291 176.600 0.150 0.000 0.988 457 E CA 0.865 57.355 56.400 0.150 0.000 0.828 457 E CB -0.120 29.630 29.700 0.085 0.000 0.763 457 E HN 0.604 nan 8.360 nan 0.000 0.478 458 N N 0.614 119.391 118.700 0.129 0.000 2.458 458 N HA 0.097 4.836 4.740 -0.000 0.000 0.274 458 N C -0.253 175.321 175.510 0.106 0.000 1.242 458 N CA -0.233 52.880 53.050 0.105 0.000 0.904 458 N CB 1.225 39.751 38.487 0.064 0.000 1.206 458 N HN -0.080 nan 8.380 nan 0.000 0.510 459 V N -2.581 117.424 119.914 0.152 0.000 3.019 459 V HA 0.734 4.854 4.120 -0.000 0.000 0.317 459 V C -2.728 173.440 176.094 0.124 0.000 1.094 459 V CA -2.612 59.731 62.300 0.072 0.000 1.000 459 V CB 1.606 33.406 31.823 -0.037 0.000 1.060 459 V HN -0.130 nan 8.190 nan 0.000 0.443 460 P HA 0.484 nan 4.420 nan 0.000 0.279 460 P C -1.611 175.705 177.300 0.027 0.000 1.239 460 P CA 0.149 63.307 63.100 0.096 0.000 0.789 460 P CB 0.235 31.961 31.700 0.045 0.000 0.933 461 Y N 1.046 121.369 120.300 0.038 0.000 2.621 461 Y HA 0.633 5.183 4.550 -0.000 0.000 0.334 461 Y C 0.824 176.754 175.900 0.050 0.000 1.074 461 Y CA -0.566 57.563 58.100 0.048 0.000 1.149 461 Y CB 1.969 40.459 38.460 0.049 0.000 1.302 461 Y HN 0.274 nan 8.280 nan 0.000 0.501 462 R N 0.854 121.492 120.500 0.230 0.000 2.564 462 R HA 0.564 4.903 4.340 -0.000 0.000 0.284 462 R C -1.287 175.121 176.300 0.180 0.000 1.031 462 R CA -1.029 55.165 56.100 0.156 0.000 0.904 462 R CB 1.906 32.269 30.300 0.104 0.000 1.199 462 R HN 0.626 nan 8.270 nan 0.000 0.443 463 R N 1.821 122.402 120.500 0.135 0.000 2.490 463 R HA 0.035 4.374 4.340 -0.000 0.000 0.280 463 R C -0.660 175.708 176.300 0.113 0.000 1.077 463 R CA -0.181 55.995 56.100 0.127 0.000 1.065 463 R CB 0.871 31.213 30.300 0.069 0.000 1.003 463 R HN 0.747 nan 8.270 nan 0.000 0.470 464 D N 4.555 125.026 120.400 0.118 0.000 2.312 464 D HA 0.086 4.726 4.640 -0.000 0.000 0.252 464 D C -1.745 174.545 176.300 -0.015 0.000 1.150 464 D CA -1.848 52.196 54.000 0.073 0.000 0.870 464 D CB 1.703 42.512 40.800 0.016 0.000 1.153 464 D HN 0.310 nan 8.370 nan 0.000 0.457 465 P HA -0.176 nan 4.420 nan 0.000 0.213 465 P C 1.559 178.788 177.300 -0.119 0.000 1.170 465 P CA 0.706 63.783 63.100 -0.038 0.000 0.902 465 P CB 0.337 32.034 31.700 -0.005 0.000 0.789 466 V N -1.835 117.989 119.914 -0.151 0.000 2.255 466 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 466 V C 2.132 177.884 176.094 -0.571 0.000 1.038 466 V CA 1.811 63.893 62.300 -0.364 0.000 1.008 466 V CB -1.289 30.258 31.823 -0.459 0.000 0.645 466 V HN -0.037 nan 8.190 nan 0.000 0.449 467 F N 0.531 120.214 119.950 -0.444 0.000 2.473 467 F HA 0.369 4.896 4.527 -0.000 0.000 0.294 467 F C 2.048 177.492 175.800 -0.594 0.000 1.103 467 F CA 0.941 58.554 58.000 -0.645 0.000 1.442 467 F CB -0.526 37.788 39.000 -1.143 0.000 1.097 467 F HN 0.302 nan 8.300 nan 0.000 0.547 468 G N 0.336 108.939 108.800 -0.330 0.000 2.179 468 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.260 468 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.260 468 G C 0.313 175.190 174.900 -0.038 0.000 0.977 468 G CA 0.260 45.259 45.100 -0.168 0.000 0.641 468 G HN 0.280 nan 8.290 nan 0.000 0.533 469 F N -0.005 120.010 119.950 0.107 0.000 2.362 469 F HA 0.888 5.415 4.527 -0.000 0.000 0.311 469 F C 0.376 176.224 175.800 0.080 0.000 1.161 469 F CA -3.194 54.852 58.000 0.076 0.000 1.085 469 F CB 0.341 39.381 39.000 0.067 0.000 1.311 469 F HN -0.033 nan 8.300 nan 0.000 0.524 470 E N 0.457 120.883 120.200 0.377 0.000 2.146 470 E HA 0.527 4.877 4.350 -0.000 0.000 0.282 470 E C -1.334 175.505 176.600 0.398 0.000 0.989 470 E CA -0.420 56.171 56.400 0.318 0.000 0.799 470 E CB 1.116 30.885 29.700 0.114 0.000 1.088 470 E HN 0.556 nan 8.360 nan 0.000 0.397 471 V N 7.291 127.441 119.914 0.394 0.000 2.459 471 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 471 V C -2.106 173.995 176.094 0.012 0.000 1.029 471 V CA -2.029 60.402 62.300 0.218 0.000 0.874 471 V CB 1.614 33.542 31.823 0.175 0.000 0.985 471 V HN 0.694 nan 8.190 nan 0.000 0.438 472 P HA 0.193 nan 4.420 nan 0.000 0.271 472 P C 0.528 177.642 177.300 -0.310 0.000 1.216 472 P CA -0.063 62.578 63.100 -0.766 0.000 0.776 472 P CB 1.468 32.776 31.700 -0.653 0.000 0.881 473 L N 1.049 122.112 121.223 -0.266 0.000 2.341 473 L HA 0.049 4.389 4.340 -0.000 0.000 0.214 473 L C 1.233 178.054 176.870 -0.081 0.000 1.115 473 L CA 1.029 55.806 54.840 -0.105 0.000 0.820 473 L CB -0.187 41.838 42.059 -0.057 0.000 0.944 473 L HN 0.558 nan 8.230 nan 0.000 0.452 474 E N -1.158 118.973 120.200 -0.116 0.000 2.390 474 E HA 0.718 5.068 4.350 -0.000 0.000 0.280 474 E C -1.375 175.178 176.600 -0.078 0.000 0.992 474 E CA -0.980 55.379 56.400 -0.068 0.000 0.790 474 E CB 2.070 31.745 29.700 -0.041 0.000 1.248 474 E HN -0.100 nan 8.360 nan 0.000 0.447 475 A N 1.808 124.602 122.820 -0.043 0.000 2.498 475 A HA 0.709 5.029 4.320 -0.000 0.000 0.298 475 A C -2.683 174.890 177.584 -0.018 0.000 1.075 475 A CA -1.681 50.335 52.037 -0.035 0.000 0.714 475 A CB 1.303 20.283 19.000 -0.033 0.000 1.299 475 A HN 0.532 nan 8.150 nan 0.000 0.407 476 P HA 0.292 nan 4.420 nan 0.000 0.264 476 P C 0.816 178.109 177.300 -0.011 0.000 1.236 476 P CA 1.597 64.691 63.100 -0.011 0.000 0.811 476 P CB 0.304 31.999 31.700 -0.009 0.000 0.840 477 G N 1.862 110.656 108.800 -0.009 0.000 2.157 477 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.239 477 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.239 477 G C -0.216 174.681 174.900 -0.005 0.000 0.982 477 G CA -0.239 44.855 45.100 -0.010 0.000 0.650 477 G HN 0.533 nan 8.290 nan 0.000 0.527 478 V N 1.687 121.601 119.914 0.001 0.000 2.487 478 V HA 0.537 4.657 4.120 -0.000 0.000 0.298 478 V C -1.895 174.208 176.094 0.016 0.000 1.028 478 V CA -1.754 60.556 62.300 0.016 0.000 0.860 478 V CB 1.986 33.828 31.823 0.032 0.000 0.991 478 V HN 0.128 nan 8.190 nan 0.000 0.427 479 P HA 0.074 nan 4.420 nan 0.000 0.264 479 P C 0.139 177.459 177.300 0.033 0.000 1.183 479 P CA -0.102 63.007 63.100 0.015 0.000 0.763 479 P CB 0.451 32.154 31.700 0.005 0.000 0.807 480 Q N 1.078 120.892 119.800 0.024 0.000 2.482 480 Q HA -0.091 4.249 4.340 -0.000 0.000 0.209 480 Q C 0.756 176.784 176.000 0.046 0.000 0.961 480 Q CA 1.324 57.144 55.803 0.027 0.000 0.945 480 Q CB -0.473 28.272 28.738 0.012 0.000 1.012 480 Q HN 0.453 nan 8.270 nan 0.000 0.515 481 E N 0.672 120.902 120.200 0.051 0.000 2.158 481 E HA 0.034 4.383 4.350 -0.000 0.000 0.191 481 E C 1.360 178.027 176.600 0.113 0.000 0.982 481 E CA 0.671 57.110 56.400 0.065 0.000 0.823 481 E CB -0.049 29.680 29.700 0.048 0.000 0.766 481 E HN 0.311 nan 8.360 nan 0.000 0.468 482 L N 0.517 121.823 121.223 0.138 0.000 2.492 482 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 482 L C 1.660 178.727 176.870 0.329 0.000 1.132 482 L CA 0.273 55.267 54.840 0.258 0.000 0.850 482 L CB -0.071 42.124 42.059 0.228 0.000 0.966 482 L HN 0.195 nan 8.230 nan 0.000 0.454 483 L N -0.743 120.592 121.223 0.186 0.000 2.313 483 L HA -0.039 4.301 4.340 -0.000 0.000 0.214 483 L C 1.025 177.964 176.870 0.113 0.000 1.119 483 L CA 0.523 55.437 54.840 0.122 0.000 0.809 483 L CB -0.254 41.836 42.059 0.051 0.000 0.933 483 L HN 0.248 nan 8.230 nan 0.000 0.449 484 N N 0.152 118.922 118.700 0.116 0.000 2.621 484 N HA 0.170 4.910 4.740 -0.000 0.000 0.237 484 N C -2.048 173.514 175.510 0.087 0.000 0.997 484 N CA -1.855 51.246 53.050 0.086 0.000 0.918 484 N CB 1.697 40.212 38.487 0.047 0.000 1.122 484 N HN -0.202 nan 8.380 nan 0.000 0.510 485 P HA -0.158 nan 4.420 nan 0.000 0.215 485 P C 1.307 178.493 177.300 -0.189 0.000 1.157 485 P CA 1.082 64.268 63.100 0.143 0.000 0.874 485 P CB 0.313 32.190 31.700 0.296 0.000 0.790 486 R N 0.494 120.575 120.500 -0.697 0.000 2.159 486 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 486 R C 1.960 178.073 176.300 -0.311 0.000 1.131 486 R CA 1.399 56.864 56.100 -1.058 0.000 0.982 486 R CB -0.395 29.412 30.300 -0.822 0.000 0.868 486 R HN 0.223 nan 8.270 nan 0.000 0.453 487 E N -0.149 119.984 120.200 -0.112 0.000 2.494 487 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 487 E C 0.528 177.185 176.600 0.095 0.000 1.074 487 E CA 1.080 57.485 56.400 0.008 0.000 0.867 487 E CB 0.324 30.038 29.700 0.023 0.000 0.924 487 E HN 0.453 nan 8.360 nan 0.000 0.502 488 T N -3.277 111.382 114.554 0.175 0.000 2.975 488 T HA 0.105 4.455 4.350 -0.000 0.000 0.261 488 T C 0.020 174.922 174.700 0.337 0.000 0.984 488 T CA -0.685 61.570 62.100 0.258 0.000 0.911 488 T CB -0.182 68.876 68.868 0.317 0.000 1.127 488 T HN 0.027 nan 8.240 nan 0.000 0.514 489 W N 1.690 123.025 121.300 0.058 0.000 2.218 489 W HA 0.740 5.400 4.660 -0.000 0.000 0.326 489 W C 1.595 178.169 176.519 0.092 0.000 1.276 489 W CA -0.352 57.057 57.345 0.108 0.000 1.210 489 W CB 0.953 30.506 29.460 0.155 0.000 1.143 489 W HN 0.230 nan 8.180 nan 0.000 0.563 490 A N 1.723 124.689 122.820 0.244 0.000 1.835 490 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 490 A C 0.832 178.546 177.584 0.216 0.000 1.199 490 A CA 1.594 53.734 52.037 0.171 0.000 0.615 490 A CB -0.801 18.253 19.000 0.091 0.000 0.838 490 A HN 0.516 nan 8.150 nan 0.000 0.444 491 D N -0.166 120.407 120.400 0.288 0.000 2.365 491 D HA 0.256 4.896 4.640 -0.000 0.000 0.237 491 D C 0.468 176.978 176.300 0.350 0.000 1.190 491 D CA 0.003 54.173 54.000 0.284 0.000 0.867 491 D CB 0.657 41.627 40.800 0.283 0.000 1.050 491 D HN 0.259 nan 8.370 nan 0.000 0.491 492 K N 2.288 122.824 120.400 0.227 0.000 2.487 492 K HA 0.004 4.324 4.320 -0.000 0.000 0.192 492 K C 0.951 177.641 176.600 0.149 0.000 1.027 492 K CA 0.255 56.646 56.287 0.173 0.000 1.054 492 K CB 0.732 33.292 32.500 0.100 0.000 0.824 492 K HN 0.352 nan 8.250 nan 0.000 0.510 493 E N -0.002 120.292 120.200 0.157 0.000 2.372 493 E HA 0.108 4.458 4.350 -0.000 0.000 0.201 493 E C 1.564 178.234 176.600 0.116 0.000 0.938 493 E CA 0.196 56.666 56.400 0.116 0.000 0.944 493 E CB 0.458 30.214 29.700 0.093 0.000 0.937 493 E HN 0.196 nan 8.360 nan 0.000 0.495 494 A N 0.220 123.154 122.820 0.189 0.000 2.121 494 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 494 A C 1.907 179.544 177.584 0.088 0.000 1.154 494 A CA 0.792 52.962 52.037 0.221 0.000 0.679 494 A CB -0.513 18.711 19.000 0.372 0.000 0.795 494 A HN 0.326 nan 8.150 nan 0.000 0.458 495 Y N 1.105 121.272 120.300 -0.221 0.000 2.176 495 Y HA -0.151 4.399 4.550 -0.000 0.000 0.291 495 Y C 1.815 177.466 175.900 -0.416 0.000 1.122 495 Y CA 1.817 59.419 58.100 -0.831 0.000 1.128 495 Y CB -0.089 37.869 38.460 -0.838 0.000 1.005 495 Y HN 0.351 nan 8.280 nan 0.000 0.509 496 D N 0.005 120.320 120.400 -0.141 0.000 2.158 496 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 496 D C 1.907 178.099 176.300 -0.180 0.000 0.995 496 D CA 1.307 55.225 54.000 -0.136 0.000 0.846 496 D CB -0.194 40.607 40.800 0.003 0.000 0.941 496 D HN 0.500 nan 8.370 nan 0.000 0.456 497 Q N 0.163 119.892 119.800 -0.118 0.000 2.123 497 Q HA -0.110 4.230 4.340 -0.000 0.000 0.199 497 Q C 2.136 178.093 176.000 -0.071 0.000 0.966 497 Q CA 0.795 56.562 55.803 -0.060 0.000 0.845 497 Q CB -0.139 28.608 28.738 0.014 0.000 0.907 497 Q HN 0.297 nan 8.270 nan 0.000 0.439 498 Q N 0.507 120.226 119.800 -0.135 0.000 2.083 498 Q HA -0.010 4.330 4.340 -0.000 0.000 0.198 498 Q C 1.885 177.801 176.000 -0.141 0.000 0.969 498 Q CA 1.627 57.401 55.803 -0.049 0.000 0.838 498 Q CB -0.302 28.402 28.738 -0.056 0.000 0.900 498 Q HN 0.315 nan 8.270 nan 0.000 0.436 499 A N 0.467 123.050 122.820 -0.394 0.000 1.908 499 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 499 A C 2.150 179.611 177.584 -0.205 0.000 1.181 499 A CA 1.698 53.552 52.037 -0.306 0.000 0.627 499 A CB -0.613 18.098 19.000 -0.481 0.000 0.818 499 A HN 0.385 nan 8.150 nan 0.000 0.445 500 R N -0.345 120.037 120.500 -0.196 0.000 2.092 500 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 500 R C 2.316 178.556 176.300 -0.100 0.000 1.119 500 R CA 1.758 57.762 56.100 -0.161 0.000 0.970 500 R CB -0.215 30.015 30.300 -0.116 0.000 0.864 500 R HN 0.582 nan 8.270 nan 0.000 0.440 501 K N 0.279 120.648 120.400 -0.053 0.000 2.057 501 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 501 K C 2.003 178.582 176.600 -0.035 0.000 1.049 501 K CA 1.229 57.513 56.287 -0.006 0.000 0.931 501 K CB -0.131 32.411 32.500 0.070 0.000 0.714 501 K HN 0.123 nan 8.250 nan 0.000 0.440 502 L N 1.018 122.205 121.223 -0.060 0.000 2.141 502 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 502 L C 2.123 179.112 176.870 0.198 0.000 1.094 502 L CA 1.897 56.719 54.840 -0.031 0.000 0.763 502 L CB -0.663 41.426 42.059 0.051 0.000 0.908 502 L HN 0.217 nan 8.230 nan 0.000 0.437 503 A N -0.438 122.391 122.820 0.015 0.000 1.933 503 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 503 A C 2.433 180.019 177.584 0.003 0.000 1.175 503 A CA 1.601 53.563 52.037 -0.125 0.000 0.628 503 A CB -0.462 18.284 19.000 -0.424 0.000 0.814 503 A HN 0.492 nan 8.150 nan 0.000 0.444 504 R N -0.733 119.760 120.500 -0.011 0.000 2.090 504 R HA 0.061 4.401 4.340 -0.000 0.000 0.228 504 R C 2.054 178.372 176.300 0.030 0.000 1.110 504 R CA 1.121 57.222 56.100 0.001 0.000 0.973 504 R CB -0.458 29.835 30.300 -0.011 0.000 0.869 504 R HN 0.482 nan 8.270 nan 0.000 0.440 505 L N -0.314 120.935 121.223 0.044 0.000 2.042 505 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 505 L C 2.182 178.990 176.870 -0.103 0.000 1.076 505 L CA 1.410 56.256 54.840 0.011 0.000 0.749 505 L CB -0.388 41.717 42.059 0.078 0.000 0.893 505 L HN 0.100 nan 8.230 nan 0.000 0.432 506 F N -0.047 119.903 119.950 -0.000 0.000 2.095 506 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 506 F C 2.842 178.638 175.800 -0.007 0.000 1.104 506 F CA 1.436 59.449 58.000 0.022 0.000 1.232 506 F CB -0.247 38.888 39.000 0.226 0.000 0.987 506 F HN 0.116 nan 8.300 nan 0.000 0.475 507 Q N 0.150 120.076 119.800 0.210 0.000 2.079 507 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 507 Q C 2.138 178.196 176.000 0.097 0.000 0.974 507 Q CA 1.400 57.305 55.803 0.169 0.000 0.840 507 Q CB -0.625 28.162 28.738 0.082 0.000 0.898 507 Q HN 0.518 nan 8.270 nan 0.000 0.430 508 E N 0.863 121.064 120.200 0.001 0.000 2.058 508 E HA -0.206 4.143 4.350 -0.000 0.000 0.194 508 E C 1.846 178.385 176.600 -0.102 0.000 0.997 508 E CA 1.297 57.670 56.400 -0.044 0.000 0.801 508 E CB -0.122 29.542 29.700 -0.059 0.000 0.746 508 E HN 0.301 nan 8.360 nan 0.000 0.450 509 N N 0.018 118.580 118.700 -0.230 0.000 2.142 509 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 509 N C 1.509 176.955 175.510 -0.107 0.000 1.023 509 N CA 0.849 53.706 53.050 -0.322 0.000 0.852 509 N CB -0.206 37.737 38.487 -0.908 0.000 0.998 509 N HN 0.074 nan 8.380 nan 0.000 0.424 510 F N 1.129 120.995 119.950 -0.141 0.000 2.333 510 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 510 F C 2.331 178.122 175.800 -0.015 0.000 1.083 510 F CA 0.961 58.951 58.000 -0.018 0.000 1.395 510 F CB -0.185 38.813 39.000 -0.003 0.000 1.056 510 F HN 0.147 nan 8.300 nan 0.000 0.529 511 Q N 0.861 120.656 119.800 -0.009 0.000 2.234 511 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 511 Q C 2.012 177.859 176.000 -0.255 0.000 0.980 511 Q CA 1.371 57.122 55.803 -0.086 0.000 0.869 511 Q CB -0.178 28.534 28.738 -0.043 0.000 0.912 511 Q HN 0.472 nan 8.270 nan 0.000 0.436 512 K N -0.935 119.211 120.400 -0.423 0.000 2.209 512 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 512 K C 1.152 177.303 176.600 -0.748 0.000 1.048 512 K CA 1.213 57.104 56.287 -0.660 0.000 0.940 512 K CB 0.061 31.943 32.500 -1.031 0.000 0.729 512 K HN 0.264 nan 8.250 nan 0.000 0.451 513 Y N -1.305 118.744 120.300 -0.418 0.000 2.453 513 Y HA 0.305 4.855 4.550 -0.000 0.000 0.247 513 Y C 1.885 177.444 175.900 -0.569 0.000 1.124 513 Y CA -0.199 57.606 58.100 -0.491 0.000 1.243 513 Y CB 0.022 38.122 38.460 -0.600 0.000 1.213 513 Y HN -0.059 nan 8.280 nan 0.000 0.523 514 A N 0.692 123.209 122.820 -0.505 0.000 1.917 514 A HA -0.276 4.043 4.320 -0.000 0.000 0.219 514 A C 2.406 179.932 177.584 -0.097 0.000 1.182 514 A CA 2.487 54.344 52.037 -0.299 0.000 0.633 514 A CB -1.091 17.883 19.000 -0.043 0.000 0.819 514 A HN 0.465 nan 8.150 nan 0.000 0.448 515 S N -0.618 115.025 115.700 -0.095 0.000 2.419 515 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 515 S C 1.815 176.377 174.600 -0.064 0.000 1.019 515 S CA 1.315 59.479 58.200 -0.060 0.000 0.982 515 S CB -0.960 62.202 63.200 -0.063 0.000 0.789 515 S HN 0.761 nan 8.310 nan 0.000 0.490 516 G N 0.991 109.741 108.800 -0.083 0.000 2.712 516 G HA2 0.337 4.297 3.960 -0.000 0.000 0.212 516 G HA3 0.337 4.297 3.960 -0.000 0.000 0.212 516 G C 0.445 175.316 174.900 -0.047 0.000 1.142 516 G CA 0.619 45.669 45.100 -0.084 0.000 0.789 516 G HN 0.815 nan 8.290 nan 0.000 0.535 517 V N -3.477 116.430 119.914 -0.012 0.000 3.074 517 V HA 0.881 5.001 4.120 -0.000 0.000 0.314 517 V C 0.323 176.449 176.094 0.054 0.000 1.117 517 V CA -1.413 60.907 62.300 0.034 0.000 1.014 517 V CB 1.035 32.915 31.823 0.095 0.000 1.057 517 V HN 0.312 nan 8.190 nan 0.000 0.438 518 A N 1.694 124.544 122.820 0.050 0.000 2.547 518 A HA 0.230 4.550 4.320 -0.000 0.000 0.233 518 A C 1.332 178.962 177.584 0.076 0.000 1.067 518 A CA 0.629 52.692 52.037 0.045 0.000 0.763 518 A CB -0.078 18.939 19.000 0.029 0.000 1.007 518 A HN 1.253 nan 8.150 nan 0.000 0.506 519 K N 0.301 120.735 120.400 0.057 0.000 2.283 519 K HA -0.137 4.183 4.320 -0.000 0.000 0.202 519 K C 0.833 177.469 176.600 0.059 0.000 1.048 519 K CA 1.795 58.123 56.287 0.068 0.000 0.948 519 K CB -0.089 32.435 32.500 0.040 0.000 0.742 519 K HN 0.603 nan 8.250 nan 0.000 0.458 520 E N 1.255 121.480 120.200 0.041 0.000 2.153 520 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 520 E C 1.942 178.560 176.600 0.031 0.000 0.988 520 E CA 1.048 57.460 56.400 0.020 0.000 0.811 520 E CB -0.258 29.449 29.700 0.012 0.000 0.746 520 E HN 0.160 nan 8.360 nan 0.000 0.466 521 V N 0.770 120.738 119.914 0.090 0.000 2.307 521 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 521 V C 2.230 178.387 176.094 0.106 0.000 1.045 521 V CA 1.805 64.192 62.300 0.146 0.000 1.024 521 V CB -0.913 31.070 31.823 0.267 0.000 0.651 521 V HN 0.347 nan 8.190 nan 0.000 0.449 522 A N -0.084 122.836 122.820 0.167 0.000 1.902 522 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 522 A C 2.122 179.621 177.584 -0.142 0.000 1.181 522 A CA 1.898 53.975 52.037 0.067 0.000 0.623 522 A CB -0.492 18.673 19.000 0.274 0.000 0.818 522 A HN 0.661 nan 8.150 nan 0.000 0.443 523 E N -0.261 119.887 120.200 -0.087 0.000 2.268 523 E HA 0.009 4.358 4.350 -0.000 0.000 0.195 523 E C 1.812 178.284 176.600 -0.212 0.000 0.995 523 E CA 0.620 56.942 56.400 -0.130 0.000 0.836 523 E CB -0.203 29.455 29.700 -0.070 0.000 0.763 523 E HN 0.618 nan 8.360 nan 0.000 0.491 524 A N 1.539 124.213 122.820 -0.244 0.000 2.238 524 A HA 0.178 4.498 4.320 -0.000 0.000 0.208 524 A C 1.254 178.484 177.584 -0.590 0.000 1.177 524 A CA 0.435 52.306 52.037 -0.277 0.000 0.804 524 A CB -0.161 18.759 19.000 -0.133 0.000 0.823 524 A HN 0.209 nan 8.150 nan 0.000 0.482 525 G N 0.326 108.536 108.800 -0.984 0.000 2.563 525 G HA2 0.462 4.422 3.960 -0.000 0.000 0.283 525 G HA3 0.462 4.422 3.960 -0.000 0.000 0.283 525 G C -2.448 171.981 174.900 -0.785 0.000 1.309 525 G CA -1.327 42.789 45.100 -1.640 0.000 1.022 525 G HN 0.191 nan 8.290 nan 0.000 0.501 526 P HA 0.166 nan 4.420 nan 0.000 0.272 526 P C -0.661 176.384 177.300 -0.426 0.000 1.223 526 P CA -0.162 62.612 63.100 -0.543 0.000 0.784 526 P CB 0.719 31.982 31.700 -0.730 0.000 0.923 527 R N 0.722 120.988 120.500 -0.391 0.000 2.204 527 R HA 0.335 4.675 4.340 -0.000 0.000 0.341 527 R C 0.495 176.641 176.300 -0.257 0.000 1.035 527 R CA -0.616 55.320 56.100 -0.274 0.000 0.887 527 R CB -0.502 29.666 30.300 -0.220 0.000 1.114 527 R HN 0.434 nan 8.270 nan 0.000 0.473 528 T N 0.000 114.434 114.554 -0.200 0.000 3.816 528 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 528 T CA 0.000 62.004 62.100 -0.159 0.000 1.349 528 T CB 0.000 68.806 68.868 -0.104 0.000 0.612 528 T HN 0.000 nan 8.240 nan 0.000 0.658