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 1kmn_1_A DATA FIRST_RESID 4 DATA SEQUENCE NIQAIRGMND YLPGETAIWQ RIEGTLKNVL GSYGYSEIRL PIVEQTPLFK DATA SEQUENCE RAIGEVTDVV EKEMYTFEDR NGDSLTLRPE GTAGCVRAGI EHGLLYNQEQ DATA SEQUENCE RLWYIGPMFR HERPQKGRYR QFHQLGCEVF GLQGPDIDAE LIMLTARWWR DATA SEQUENCE ALGISEHVTL ELNSIGSLEA RANYRDALVA FLXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXYLDEES REHFAGLCKL LESAGIAYTV DATA SEQUENCE NQRLVRGLDY YNRTVFEWVT NSLGSQGTVC AGGRYDGLVE QLGGRATPAV DATA SEQUENCE GFAMGLERLV LLVQAVNPEF KADPVVDIYL VASGADTQSA AMALAERLRD DATA SEQUENCE ELPGVKLMTN HGGGNFKKQF ARADKWGARV AVVLGESEVA NGTAVVKDLR DATA SEQUENCE SGEQTAVAQD SVAAHLRTLL G 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.510 175.510 0.000 0.000 1.280 4 N CA 0.000 53.050 53.050 -0.000 0.000 0.885 4 N CB 0.000 38.487 38.487 -0.000 0.000 1.341 5 I N 0.683 121.253 120.570 -0.001 0.000 2.577 5 I HA 0.176 nan 4.170 nan 0.000 0.300 5 I C -0.197 175.920 176.117 -0.000 0.000 0.990 5 I CA -0.250 61.050 61.300 0.000 0.000 1.283 5 I CB 1.049 39.049 38.000 -0.001 0.000 1.411 5 I HN 0.161 8.370 8.210 -0.001 0.000 0.515 6 Q N 2.359 122.160 119.800 0.002 0.000 2.486 6 Q HA 0.152 nan 4.340 nan 0.000 0.274 6 Q C -1.247 174.754 176.000 0.002 0.000 1.076 6 Q CA -0.987 54.816 55.803 0.001 0.000 0.872 6 Q CB 2.493 31.234 28.738 0.005 0.000 1.383 6 Q HN 0.125 8.398 8.270 0.004 0.000 0.478 7 A N 0.457 123.276 122.820 -0.001 0.000 2.289 7 A HA 0.077 nan 4.320 nan 0.000 0.298 7 A C 0.067 177.658 177.584 0.012 0.000 1.208 7 A CA -0.535 51.501 52.037 -0.002 0.000 0.845 7 A CB 0.461 19.450 19.000 -0.019 0.000 1.125 7 A HN 0.210 8.358 8.150 -0.002 0.000 0.517 8 I N 3.519 124.103 120.570 0.022 0.000 3.247 8 I HA -0.317 nan 4.170 nan 0.000 0.309 8 I C -0.215 175.927 176.117 0.042 0.000 1.246 8 I CA -0.612 60.712 61.300 0.041 0.000 1.384 8 I CB 0.030 38.064 38.000 0.057 0.000 1.401 8 I HN 0.335 8.556 8.210 0.018 0.000 0.520 9 R N 8.343 128.868 120.500 0.042 0.000 2.478 9 R HA -0.320 nan 4.340 nan 0.000 0.281 9 R C 0.692 177.021 176.300 0.048 0.000 0.939 9 R CA 1.293 57.418 56.100 0.042 0.000 1.120 9 R CB -0.498 29.827 30.300 0.042 0.000 0.885 9 R HN 0.211 8.506 8.270 0.041 0.000 0.415 10 G N -1.045 107.791 108.800 0.060 0.000 2.143 10 G HA2 -0.403 nan 3.960 nan 0.000 0.249 10 G HA3 -0.403 nan 3.960 nan 0.000 0.249 10 G C -1.127 173.845 174.900 0.120 0.000 0.981 10 G CA 0.370 45.526 45.100 0.093 0.000 0.665 10 G HN 0.483 8.809 8.290 0.059 0.000 0.528 11 M N -1.557 118.084 119.600 0.067 0.000 1.996 11 M HA 0.071 nan 4.480 nan 0.000 0.268 11 M C -1.559 174.718 176.300 -0.038 0.000 0.888 11 M CA -0.479 54.832 55.300 0.018 0.000 0.939 11 M CB 0.763 33.370 32.600 0.012 0.000 1.736 11 M HN -0.625 7.643 8.290 0.052 0.053 0.407 12 N N 4.140 122.779 118.700 -0.102 0.000 2.463 12 N HA 0.095 nan 4.740 nan 0.000 0.270 12 N C -1.150 174.087 175.510 -0.454 0.000 1.205 12 N CA 0.020 52.923 53.050 -0.245 0.000 0.974 12 N CB 0.960 39.274 38.487 -0.288 0.000 1.197 12 N HN 0.139 8.480 8.380 -0.064 0.000 0.504 13 D N -0.596 119.547 120.400 -0.428 0.000 2.217 13 D HA 0.049 nan 4.640 nan 0.000 0.248 13 D C -0.969 174.962 176.300 -0.614 0.000 1.008 13 D CA -0.053 53.691 54.000 -0.428 0.000 0.914 13 D CB 1.769 42.451 40.800 -0.198 0.000 1.182 13 D HN 0.108 8.297 8.370 -0.302 0.000 0.451 14 Y N -0.474 119.717 120.300 -0.182 0.000 2.402 14 Y HA 0.112 nan 4.550 nan 0.000 0.332 14 Y C -0.750 175.074 175.900 -0.127 0.000 0.960 14 Y CA -0.694 57.268 58.100 -0.229 0.000 1.228 14 Y CB 0.657 38.812 38.460 -0.509 0.000 1.120 14 Y HN 0.005 8.143 8.280 -0.238 0.000 0.491 15 L N 2.961 124.218 121.223 0.056 0.000 2.453 15 L HA 0.200 nan 4.340 nan 0.000 0.261 15 L C -0.278 176.631 176.870 0.066 0.000 1.179 15 L CA -1.716 53.150 54.840 0.043 0.000 0.813 15 L CB -1.056 41.025 42.059 0.037 0.000 1.110 15 L HN 0.181 8.455 8.230 0.073 0.000 0.466 16 P HA -0.389 nan 4.420 nan 0.000 0.214 16 P C 1.612 178.965 177.300 0.089 0.000 1.099 16 P CA 3.402 66.548 63.100 0.077 0.000 0.976 16 P CB -0.242 31.511 31.700 0.089 0.000 0.774 17 G N -5.715 103.137 108.800 0.085 0.000 2.507 17 G HA2 -0.253 nan 3.960 nan 0.000 0.221 17 G HA3 -0.253 nan 3.960 nan 0.000 0.221 17 G C 1.990 176.961 174.900 0.118 0.000 1.119 17 G CA 1.830 46.985 45.100 0.090 0.000 0.751 17 G HN 0.188 8.522 8.290 0.073 0.000 0.574 18 E N 0.139 120.426 120.200 0.144 0.000 2.122 18 E HA -0.078 nan 4.350 nan 0.000 0.190 18 E C 2.182 178.950 176.600 0.281 0.000 0.977 18 E CA 2.514 59.051 56.400 0.229 0.000 0.820 18 E CB 0.227 30.088 29.700 0.268 0.000 0.770 18 E HN -0.133 8.168 8.360 0.125 0.133 0.462 19 T N 1.917 116.563 114.554 0.154 0.000 2.635 19 T HA -0.325 nan 4.350 nan 0.000 0.267 19 T C 1.426 176.214 174.700 0.146 0.000 1.040 19 T CA 4.764 66.920 62.100 0.093 0.000 1.156 19 T CB -0.371 68.523 68.868 0.045 0.000 0.863 19 T HN -0.157 8.157 8.240 0.123 0.000 0.430 20 A N 1.142 124.036 122.820 0.124 0.000 1.896 20 A HA -0.316 nan 4.320 nan 0.000 0.220 20 A C 1.821 179.474 177.584 0.115 0.000 1.206 20 A CA 3.727 55.827 52.037 0.104 0.000 0.647 20 A CB -1.045 18.008 19.000 0.089 0.000 0.828 20 A HN -0.414 7.805 8.150 0.115 0.000 0.455 21 I N -3.373 117.281 120.570 0.139 0.000 2.394 21 I HA -0.283 nan 4.170 nan 0.000 0.251 21 I C 1.801 177.969 176.117 0.086 0.000 1.136 21 I CA 2.056 63.422 61.300 0.111 0.000 1.425 21 I CB -1.256 36.794 38.000 0.083 0.000 1.079 21 I HN -0.629 7.675 8.210 0.155 0.000 0.425 22 W N -0.576 120.681 121.300 -0.072 0.000 2.381 22 W HA -0.392 nan 4.660 nan 0.000 0.301 22 W C 2.144 178.604 176.519 -0.099 0.000 1.205 22 W CA 4.351 61.613 57.345 -0.138 0.000 1.285 22 W CB -0.472 28.837 29.460 -0.251 0.000 1.133 22 W HN -0.349 7.960 8.180 0.384 0.101 0.521 23 Q N -1.932 117.968 119.800 0.167 0.000 2.124 23 Q HA -0.479 nan 4.340 nan 0.000 0.202 23 Q C 2.172 178.205 176.000 0.055 0.000 0.977 23 Q CA 3.098 58.955 55.803 0.090 0.000 0.850 23 Q CB -0.804 27.975 28.738 0.069 0.000 0.901 23 Q HN 0.470 8.849 8.270 0.182 0.000 0.429 24 R N 0.805 121.340 120.500 0.059 0.000 2.073 24 R HA -0.283 nan 4.340 nan 0.000 0.234 24 R C 2.511 178.835 176.300 0.039 0.000 1.134 24 R CA 3.361 59.489 56.100 0.047 0.000 0.952 24 R CB -0.145 30.192 30.300 0.062 0.000 0.850 24 R HN -0.426 7.889 8.270 0.076 0.000 0.433 25 I N -1.422 119.158 120.570 0.017 0.000 2.315 25 I HA -0.517 nan 4.170 nan 0.000 0.248 25 I C 1.945 177.991 176.117 -0.118 0.000 1.117 25 I CA 3.653 64.913 61.300 -0.067 0.000 1.404 25 I CB -0.374 37.507 38.000 -0.198 0.000 1.071 25 I HN -0.364 7.856 8.210 0.018 0.000 0.419 26 E N -0.288 119.868 120.200 -0.073 0.000 2.031 26 E HA -0.390 nan 4.350 nan 0.000 0.193 26 E C 2.672 179.217 176.600 -0.091 0.000 0.994 26 E CA 3.377 59.731 56.400 -0.077 0.000 0.800 26 E CB -0.399 29.308 29.700 0.012 0.000 0.752 26 E HN 0.164 8.508 8.360 -0.026 0.000 0.447 27 G N -1.176 107.600 108.800 -0.041 0.000 2.529 27 G HA2 -0.457 nan 3.960 nan 0.000 0.219 27 G HA3 -0.457 nan 3.960 nan 0.000 0.219 27 G C 1.098 175.963 174.900 -0.058 0.000 1.177 27 G CA 2.561 47.639 45.100 -0.036 0.000 0.773 27 G HN 0.114 8.396 8.290 -0.013 0.000 0.573 28 T N 5.647 120.171 114.554 -0.050 0.000 2.653 28 T HA -0.443 nan 4.350 nan 0.000 0.268 28 T C 2.343 176.995 174.700 -0.081 0.000 1.035 28 T CA 4.980 67.055 62.100 -0.042 0.000 1.154 28 T CB -0.629 68.227 68.868 -0.020 0.000 0.862 28 T HN -0.581 7.638 8.240 -0.035 0.000 0.441 29 L N -0.225 120.879 121.223 -0.200 0.000 2.017 29 L HA -0.468 nan 4.340 nan 0.000 0.208 29 L C 2.161 178.944 176.870 -0.145 0.000 1.073 29 L CA 3.275 57.925 54.840 -0.316 0.000 0.745 29 L CB -0.553 41.144 42.059 -0.603 0.000 0.894 29 L HN -0.368 7.662 8.230 -0.210 0.073 0.432 30 K N -1.307 118.943 120.400 -0.250 0.000 2.002 30 K HA -0.451 nan 4.320 nan 0.000 0.209 30 K C 2.096 178.568 176.600 -0.213 0.000 1.048 30 K CA 3.571 59.618 56.287 -0.400 0.000 0.930 30 K CB -0.406 31.904 32.500 -0.316 0.000 0.714 30 K HN 0.328 8.448 8.250 -0.217 0.000 0.438 31 N N -0.366 118.278 118.700 -0.092 0.000 2.049 31 N HA -0.381 nan 4.740 nan 0.000 0.198 31 N C 1.984 177.498 175.510 0.007 0.000 1.030 31 N CA 3.568 56.602 53.050 -0.026 0.000 0.870 31 N CB 0.208 38.691 38.487 -0.008 0.000 1.045 31 N HN 0.109 8.329 8.380 -0.089 0.107 0.434 32 V N -0.662 119.281 119.914 0.048 0.000 2.490 32 V HA -0.332 nan 4.120 nan 0.000 0.250 32 V C 2.000 178.134 176.094 0.067 0.000 1.061 32 V CA 3.412 65.775 62.300 0.105 0.000 1.064 32 V CB -0.860 31.083 31.823 0.201 0.000 0.670 32 V HN -0.124 8.095 8.190 0.048 0.000 0.461 33 L N -2.294 118.893 121.223 -0.059 0.000 2.156 33 L HA -0.236 nan 4.340 nan 0.000 0.208 33 L C 1.913 178.798 176.870 0.025 0.000 1.095 33 L CA 2.657 57.384 54.840 -0.187 0.000 0.770 33 L CB -0.373 41.393 42.059 -0.488 0.000 0.914 33 L HN -0.229 7.825 8.230 -0.071 0.133 0.439 34 G N -1.644 107.175 108.800 0.031 0.000 2.404 34 G HA2 -0.336 nan 3.960 nan 0.000 0.215 34 G HA3 -0.336 nan 3.960 nan 0.000 0.215 34 G C 1.464 176.437 174.900 0.120 0.000 1.174 34 G CA 2.056 47.221 45.100 0.108 0.000 0.780 34 G HN 0.210 8.372 8.290 -0.041 0.104 0.537 35 S N 2.014 117.766 115.700 0.087 0.000 2.520 35 S HA -0.306 nan 4.470 nan 0.000 0.249 35 S C -0.009 174.544 174.600 -0.079 0.000 0.983 35 S CA 2.501 60.697 58.200 -0.006 0.000 0.958 35 S CB -0.138 63.020 63.200 -0.068 0.000 0.750 35 S HN 0.033 8.391 8.310 0.080 0.000 0.527 36 Y N -1.398 118.912 120.300 0.016 0.000 2.442 36 Y HA 0.017 nan 4.550 nan 0.000 0.250 36 Y C -0.370 175.690 175.900 0.266 0.000 1.113 36 Y CA 0.187 58.343 58.100 0.094 0.000 1.273 36 Y CB 0.876 39.307 38.460 -0.049 0.000 1.138 36 Y HN -0.739 7.529 8.280 0.322 0.205 0.522 37 G N -2.625 106.401 108.800 0.377 0.000 2.163 37 G HA2 -0.380 nan 3.960 nan 0.000 0.213 37 G HA3 -0.380 nan 3.960 nan 0.000 0.213 37 G C -0.388 174.683 174.900 0.284 0.000 0.991 37 G CA -0.135 45.122 45.100 0.262 0.000 0.653 37 G HN -0.337 8.025 8.290 0.315 0.116 0.518 38 Y N 1.228 121.636 120.300 0.179 0.000 2.359 38 Y HA -0.048 nan 4.550 nan 0.000 0.330 38 Y C -0.385 175.735 175.900 0.367 0.000 1.143 38 Y CA -0.470 57.777 58.100 0.245 0.000 1.318 38 Y CB 0.249 38.857 38.460 0.246 0.000 1.234 38 Y HN -0.822 7.842 8.280 0.717 0.046 0.522 39 S N 3.465 119.395 115.700 0.382 0.000 2.509 39 S HA 0.279 nan 4.470 nan 0.000 0.297 39 S C -1.182 173.397 174.600 -0.036 0.000 1.118 39 S CA -1.544 56.815 58.200 0.264 0.000 1.074 39 S CB 1.852 65.114 63.200 0.102 0.000 1.038 39 S HN 0.556 9.005 8.310 0.232 0.000 0.498 40 E N 4.024 124.062 120.200 -0.270 0.000 2.404 40 E HA 0.200 nan 4.350 nan 0.000 0.261 40 E C -1.263 175.056 176.600 -0.469 0.000 1.074 40 E CA 0.632 56.408 56.400 -1.040 0.000 0.917 40 E CB 0.972 30.180 29.700 -0.818 0.000 0.965 40 E HN 0.356 8.777 8.360 0.100 0.000 0.433 41 I N 4.631 124.947 120.570 -0.423 0.000 2.534 41 I HA 0.179 nan 4.170 nan 0.000 0.288 41 I C -2.093 173.960 176.117 -0.106 0.000 1.077 41 I CA -1.646 59.559 61.300 -0.158 0.000 1.051 41 I CB 2.799 40.782 38.000 -0.028 0.000 1.234 41 I HN 0.031 7.872 8.210 -0.615 0.000 0.425 42 R N 7.615 128.068 120.500 -0.079 0.000 2.295 42 R HA 0.509 nan 4.340 nan 0.000 0.324 42 R C -0.819 175.467 176.300 -0.023 0.000 0.968 42 R CA -0.979 55.097 56.100 -0.041 0.000 0.837 42 R CB 0.768 31.045 30.300 -0.038 0.000 1.133 42 R HN 0.155 8.374 8.270 -0.085 0.000 0.450 43 L N 4.246 125.457 121.223 -0.021 0.000 2.342 43 L HA 0.582 nan 4.340 nan 0.000 0.271 43 L C -0.948 175.918 176.870 -0.007 0.000 1.008 43 L CA -3.195 51.630 54.840 -0.026 0.000 0.818 43 L CB 1.085 43.098 42.059 -0.077 0.000 1.296 43 L HN 0.356 8.575 8.230 -0.019 0.000 0.427 44 P HA 0.015 nan 4.420 nan 0.000 0.266 44 P C 0.059 177.386 177.300 0.044 0.000 1.195 44 P CA 0.115 63.231 63.100 0.027 0.000 0.768 44 P CB 0.996 32.712 31.700 0.026 0.000 0.838 45 I N 0.572 121.176 120.570 0.056 0.000 2.394 45 I HA -0.182 nan 4.170 nan 0.000 0.251 45 I C 0.055 176.222 176.117 0.085 0.000 1.136 45 I CA 1.747 63.097 61.300 0.083 0.000 1.425 45 I CB -0.750 37.301 38.000 0.084 0.000 1.079 45 I HN 0.042 8.281 8.210 0.049 0.000 0.425 46 V N -7.333 112.625 119.914 0.074 0.000 2.864 46 V HA 0.562 nan 4.120 nan 0.000 0.314 46 V C -1.355 174.806 176.094 0.112 0.000 1.073 46 V CA -2.564 59.794 62.300 0.096 0.000 0.956 46 V CB 2.683 34.557 31.823 0.086 0.000 1.023 46 V HN -0.669 7.539 8.190 0.061 0.019 0.435 47 E N -0.331 119.974 120.200 0.174 0.000 2.456 47 E HA 0.329 nan 4.350 nan 0.000 0.276 47 E C -1.757 174.890 176.600 0.079 0.000 0.981 47 E CA -2.357 54.101 56.400 0.098 0.000 0.814 47 E CB 4.345 34.051 29.700 0.010 0.000 1.382 47 E HN -0.020 8.486 8.360 0.242 0.000 0.459 48 Q N -0.649 119.142 119.800 -0.015 0.000 2.332 48 Q HA 0.059 nan 4.340 nan 0.000 0.263 48 Q C 1.464 177.482 176.000 0.029 0.000 0.979 48 Q CA 1.173 56.959 55.803 -0.028 0.000 0.885 48 Q CB 0.658 29.363 28.738 -0.056 0.000 1.218 48 Q HN 0.353 8.587 8.270 -0.060 0.000 0.405 49 T N 7.765 122.342 114.554 0.040 0.000 2.803 49 T HA -0.156 nan 4.350 nan 0.000 0.269 49 T C -0.457 174.307 174.700 0.107 0.000 1.052 49 T CA 5.633 67.808 62.100 0.125 0.000 1.136 49 T CB -2.157 66.728 68.868 0.029 0.000 0.864 49 T HN 0.733 8.849 8.240 -0.029 0.107 0.467 50 P HA -0.105 nan 4.420 nan 0.000 0.222 50 P C 0.770 178.058 177.300 -0.020 0.000 1.147 50 P CA 2.244 65.348 63.100 0.007 0.000 0.790 50 P CB -0.556 31.133 31.700 -0.019 0.000 0.780 51 L N -0.705 120.458 121.223 -0.100 0.000 1.955 51 L HA -0.344 nan 4.340 nan 0.000 0.213 51 L C 1.254 178.003 176.870 -0.201 0.000 1.072 51 L CA 4.132 58.824 54.840 -0.247 0.000 0.755 51 L CB -0.338 41.405 42.059 -0.526 0.000 0.888 51 L HN -0.273 7.871 8.230 -0.094 0.030 0.432 52 F N -3.248 116.707 119.950 0.010 0.000 2.202 52 F HA -0.471 nan 4.527 nan 0.000 0.301 52 F C 2.524 178.337 175.800 0.022 0.000 1.082 52 F CA 3.710 61.725 58.000 0.026 0.000 1.313 52 F CB -0.769 38.248 39.000 0.029 0.000 1.024 52 F HN -0.601 7.586 8.300 -0.188 0.000 0.495 53 K N -0.517 119.995 120.400 0.186 0.000 1.984 53 K HA -0.373 nan 4.320 nan 0.000 0.209 53 K C 2.344 178.986 176.600 0.069 0.000 1.046 53 K CA 3.495 59.846 56.287 0.107 0.000 0.934 53 K CB -0.328 32.215 32.500 0.072 0.000 0.717 53 K HN -0.448 7.803 8.250 0.180 0.107 0.438 54 R N -1.183 119.341 120.500 0.041 0.000 2.070 54 R HA -0.310 nan 4.340 nan 0.000 0.233 54 R C 1.935 178.262 176.300 0.045 0.000 1.137 54 R CA 2.686 58.802 56.100 0.027 0.000 0.945 54 R CB 0.068 30.369 30.300 0.001 0.000 0.845 54 R HN 0.066 8.244 8.270 0.029 0.109 0.430 55 A N -1.805 121.043 122.820 0.046 0.000 1.835 55 A HA -0.130 nan 4.320 nan 0.000 0.215 55 A C 1.533 179.205 177.584 0.146 0.000 1.199 55 A CA 2.051 54.148 52.037 0.099 0.000 0.615 55 A CB -0.016 19.023 19.000 0.066 0.000 0.838 55 A HN 0.245 8.293 8.150 0.014 0.110 0.444 56 I N -4.497 116.148 120.570 0.126 0.000 2.226 56 I HA -0.269 nan 4.170 nan 0.000 0.245 56 I C -0.101 176.003 176.117 -0.022 0.000 1.100 56 I CA 1.810 63.126 61.300 0.027 0.000 1.374 56 I CB 0.510 38.569 38.000 0.098 0.000 1.057 56 I HN -0.572 7.632 8.210 0.153 0.098 0.413 57 G N -4.910 103.907 108.800 0.029 0.000 3.014 57 G HA2 -0.222 nan 3.960 nan 0.000 0.683 57 G HA3 -0.222 nan 3.960 nan 0.000 0.683 57 G C 0.387 175.304 174.900 0.029 0.000 1.271 57 G CA -0.826 44.285 45.100 0.019 0.000 0.843 57 G HN -0.530 7.796 8.290 0.060 0.000 0.612 58 E N 3.260 123.477 120.200 0.029 0.000 2.051 58 E HA -0.246 nan 4.350 nan 0.000 0.192 58 E C 0.583 177.196 176.600 0.023 0.000 0.991 58 E CA 2.941 59.358 56.400 0.028 0.000 0.799 58 E CB -0.107 29.607 29.700 0.024 0.000 0.748 58 E HN 0.598 8.975 8.360 0.028 0.000 0.449 59 V N -3.439 116.487 119.914 0.020 0.000 3.141 59 V HA -0.034 nan 4.120 nan 0.000 0.265 59 V C -0.023 176.081 176.094 0.017 0.000 1.126 59 V CA -0.064 62.246 62.300 0.018 0.000 1.141 59 V CB -0.390 31.444 31.823 0.019 0.000 0.743 59 V HN -0.023 8.179 8.190 0.020 0.000 0.492 60 T N 2.377 116.941 114.554 0.017 0.000 2.908 60 T HA -0.012 nan 4.350 nan 0.000 0.301 60 T C 0.554 175.267 174.700 0.021 0.000 1.019 60 T CA 1.146 63.255 62.100 0.015 0.000 1.152 60 T CB 0.607 69.482 68.868 0.010 0.000 0.966 60 T HN -0.727 7.337 8.240 0.017 0.187 0.540 61 D N 5.939 126.352 120.400 0.022 0.000 2.218 61 D HA -0.190 nan 4.640 nan 0.000 0.204 61 D C 1.713 178.035 176.300 0.037 0.000 0.976 61 D CA 3.276 57.292 54.000 0.026 0.000 0.853 61 D CB -0.323 40.492 40.800 0.025 0.000 0.939 61 D HN 0.540 8.922 8.370 0.019 0.000 0.481 62 V N -0.293 119.646 119.914 0.042 0.000 2.237 62 V HA -0.355 nan 4.120 nan 0.000 0.245 62 V C 2.070 178.195 176.094 0.051 0.000 1.046 62 V CA 4.187 66.522 62.300 0.058 0.000 1.007 62 V CB -0.723 31.137 31.823 0.061 0.000 0.638 62 V HN -0.037 8.143 8.190 0.034 0.030 0.445 63 V N -0.619 119.322 119.914 0.044 0.000 2.233 63 V HA -0.503 nan 4.120 nan 0.000 0.247 63 V C 2.438 178.550 176.094 0.030 0.000 1.050 63 V CA 3.994 66.320 62.300 0.043 0.000 1.010 63 V CB -0.824 31.030 31.823 0.051 0.000 0.637 63 V HN -0.122 8.093 8.190 0.042 0.000 0.444 64 E N -1.767 118.448 120.200 0.024 0.000 2.026 64 E HA -0.316 nan 4.350 nan 0.000 0.206 64 E C 1.442 178.045 176.600 0.005 0.000 1.028 64 E CA 2.719 59.126 56.400 0.013 0.000 0.845 64 E CB 0.126 29.833 29.700 0.012 0.000 0.772 64 E HN -0.139 8.237 8.360 0.027 0.000 0.462 65 K N -6.001 114.406 120.400 0.013 0.000 2.469 65 K HA 0.238 nan 4.320 nan 0.000 0.204 65 K C 0.049 176.670 176.600 0.035 0.000 1.047 65 K CA -0.371 55.917 56.287 0.001 0.000 1.072 65 K CB 0.448 32.942 32.500 -0.010 0.000 0.863 65 K HN -0.359 7.904 8.250 0.023 0.000 0.530 66 E N -1.444 118.800 120.200 0.074 0.000 2.434 66 E HA 0.124 nan 4.350 nan 0.000 0.207 66 E C 0.261 176.978 176.600 0.194 0.000 0.929 66 E CA -0.171 56.322 56.400 0.154 0.000 1.001 66 E CB 1.713 31.507 29.700 0.156 0.000 1.016 66 E HN -0.320 8.075 8.360 0.057 0.000 0.502 67 M N 0.207 119.871 119.600 0.106 0.000 2.249 67 M HA -0.106 nan 4.480 nan 0.000 0.340 67 M C 0.419 176.813 176.300 0.155 0.000 1.166 67 M CA 1.188 56.549 55.300 0.101 0.000 1.115 67 M CB 0.333 32.930 32.600 -0.004 0.000 1.606 67 M HN -0.725 7.603 8.290 0.063 0.000 0.448 68 Y N 4.567 124.885 120.300 0.030 0.000 2.849 68 Y HA 0.217 nan 4.550 nan 0.000 0.356 68 Y C -0.982 174.974 175.900 0.094 0.000 1.236 68 Y CA -1.385 56.767 58.100 0.086 0.000 1.508 68 Y CB -2.158 36.342 38.460 0.065 0.000 1.619 68 Y HN 0.612 9.095 8.280 0.338 0.000 0.513 69 T N 4.090 118.722 114.554 0.130 0.000 2.788 69 T HA 0.409 nan 4.350 nan 0.000 0.287 69 T C -1.063 173.735 174.700 0.163 0.000 1.007 69 T CA 0.654 62.769 62.100 0.025 0.000 1.005 69 T CB 0.763 69.615 68.868 -0.026 0.000 1.012 69 T HN -0.320 7.911 8.240 0.069 0.050 0.530 70 F N -2.307 117.649 119.950 0.010 0.000 3.410 70 F HA 0.333 nan 4.527 nan 0.000 0.328 70 F C -2.894 172.909 175.800 0.005 0.000 1.099 70 F CA -1.384 56.617 58.000 0.003 0.000 0.841 70 F CB 1.426 40.427 39.000 0.002 0.000 1.527 70 F HN 0.499 8.538 8.300 -0.436 0.000 0.478 71 E N -1.084 119.315 120.200 0.331 0.000 2.234 71 E HA 0.302 nan 4.350 nan 0.000 0.266 71 E C -2.091 174.669 176.600 0.267 0.000 0.877 71 E CA -1.288 55.207 56.400 0.158 0.000 0.758 71 E CB 3.323 33.079 29.700 0.093 0.000 1.170 71 E HN -0.053 8.633 8.360 0.543 0.000 0.415 72 D N 1.536 122.022 120.400 0.143 0.000 2.358 72 D HA 0.047 nan 4.640 nan 0.000 0.244 72 D C 1.389 177.743 176.300 0.090 0.000 1.163 72 D CA -0.765 53.327 54.000 0.153 0.000 0.945 72 D CB 2.007 42.865 40.800 0.095 0.000 1.152 72 D HN 0.463 8.857 8.370 0.040 0.000 0.451 73 R N 2.242 122.786 120.500 0.073 0.000 2.395 73 R HA -0.117 nan 4.340 nan 0.000 0.202 73 R C -0.685 175.634 176.300 0.031 0.000 1.088 73 R CA 1.250 57.377 56.100 0.044 0.000 1.090 73 R CB -1.597 28.723 30.300 0.033 0.000 0.876 73 R HN 0.571 8.890 8.270 0.082 0.000 0.477 74 N N -4.788 113.930 118.700 0.030 0.000 2.167 74 N HA 0.040 nan 4.740 nan 0.000 0.234 74 N C 0.322 175.839 175.510 0.012 0.000 1.312 74 N CA -0.407 52.654 53.050 0.017 0.000 0.861 74 N CB -0.528 37.967 38.487 0.013 0.000 1.217 74 N HN -0.809 7.446 8.380 0.039 0.149 0.504 75 G N 0.034 108.844 108.800 0.017 0.000 2.179 75 G HA2 -0.486 nan 3.960 nan 0.000 0.260 75 G HA3 -0.486 nan 3.960 nan 0.000 0.260 75 G C -0.827 174.070 174.900 -0.005 0.000 0.977 75 G CA 0.302 45.407 45.100 0.008 0.000 0.641 75 G HN 0.194 8.405 8.290 0.028 0.096 0.533 76 D N 1.402 121.796 120.400 -0.010 0.000 2.304 76 D HA 0.101 nan 4.640 nan 0.000 0.250 76 D C -1.008 175.249 176.300 -0.071 0.000 1.107 76 D CA 0.478 54.458 54.000 -0.034 0.000 0.885 76 D CB 1.193 41.974 40.800 -0.032 0.000 1.192 76 D HN -0.335 8.247 8.370 0.003 -0.210 0.436 77 S N 2.891 118.539 115.700 -0.087 0.000 2.416 77 S HA 0.433 nan 4.470 nan 0.000 0.287 77 S C -1.031 173.437 174.600 -0.220 0.000 1.139 77 S CA -0.224 57.891 58.200 -0.142 0.000 1.058 77 S CB 0.164 63.312 63.200 -0.086 0.000 0.967 77 S HN 0.338 8.610 8.310 -0.063 0.000 0.495 78 L N 8.086 129.025 121.223 -0.474 0.000 2.334 78 L HA 0.736 nan 4.340 nan 0.000 0.270 78 L C -1.594 174.877 176.870 -0.666 0.000 1.018 78 L CA -1.063 53.413 54.840 -0.608 0.000 0.811 78 L CB 2.756 44.274 42.059 -0.902 0.000 1.271 78 L HN 0.415 8.283 8.230 -0.603 0.000 0.443 79 T N 2.448 116.827 114.554 -0.293 0.000 3.143 79 T HA 0.283 nan 4.350 nan 0.000 0.312 79 T C -1.011 173.662 174.700 -0.045 0.000 0.986 79 T CA 0.077 62.099 62.100 -0.131 0.000 1.024 79 T CB 1.750 70.586 68.868 -0.053 0.000 1.030 79 T HN 0.491 8.643 8.240 -0.148 0.000 0.448 80 L N 7.352 128.557 121.223 -0.030 0.000 2.597 80 L HA -0.033 nan 4.340 nan 0.000 0.271 80 L C -0.395 176.395 176.870 -0.133 0.000 1.157 80 L CA 0.213 54.942 54.840 -0.185 0.000 0.928 80 L CB -0.280 41.440 42.059 -0.565 0.000 1.216 80 L HN 0.079 8.357 8.230 0.081 0.000 0.481 81 R N 5.570 126.045 120.500 -0.041 0.000 2.538 81 R HA -0.190 nan 4.340 nan 0.000 0.273 81 R C -1.346 174.900 176.300 -0.091 0.000 0.967 81 R CA 0.815 56.850 56.100 -0.109 0.000 1.101 81 R CB -0.626 29.797 30.300 0.205 0.000 0.908 81 R HN 0.050 8.353 8.270 0.055 0.000 0.411 82 P HA 0.107 nan 4.420 nan 0.000 0.244 82 P C -1.071 176.303 177.300 0.122 0.000 1.191 82 P CA 1.456 64.546 63.100 -0.017 0.000 0.829 82 P CB 0.732 32.400 31.700 -0.055 0.000 1.008 83 E N -2.716 117.579 120.200 0.157 0.000 2.391 83 E HA 0.158 nan 4.350 nan 0.000 0.256 83 E C -1.500 175.196 176.600 0.160 0.000 0.975 83 E CA -1.335 55.203 56.400 0.230 0.000 0.881 83 E CB 2.116 31.992 29.700 0.293 0.000 1.728 83 E HN -0.762 7.690 8.360 0.154 0.000 0.446 84 G N -3.411 105.452 108.800 0.106 0.000 2.695 84 G HA2 0.353 nan 3.960 nan 0.000 0.205 84 G HA3 0.353 nan 3.960 nan 0.000 0.205 84 G C 0.389 175.202 174.900 -0.145 0.000 1.068 84 G CA 0.443 45.412 45.100 -0.218 0.000 0.842 84 G HN 0.569 8.988 8.290 0.216 0.000 0.628 85 T N 6.002 120.601 114.554 0.075 0.000 2.665 85 T HA -0.405 nan 4.350 nan 0.000 0.268 85 T C 1.582 176.253 174.700 -0.049 0.000 1.035 85 T CA 5.107 67.211 62.100 0.007 0.000 1.151 85 T CB -0.661 68.034 68.868 -0.288 0.000 0.862 85 T HN 0.308 8.654 8.240 0.176 0.000 0.438 86 A N 0.074 122.872 122.820 -0.037 0.000 1.877 86 A HA -0.234 nan 4.320 nan 0.000 0.216 86 A C 1.689 179.187 177.584 -0.143 0.000 1.186 86 A CA 3.383 55.358 52.037 -0.103 0.000 0.620 86 A CB -0.788 18.120 19.000 -0.154 0.000 0.822 86 A HN -0.352 8.061 8.150 0.056 -0.230 0.443 87 G N -2.790 105.931 108.800 -0.132 0.000 2.442 87 G HA2 -0.410 nan 3.960 nan 0.000 0.219 87 G HA3 -0.410 nan 3.960 nan 0.000 0.219 87 G C 0.543 175.397 174.900 -0.078 0.000 1.141 87 G CA 2.002 47.027 45.100 -0.125 0.000 0.763 87 G HN -0.163 8.082 8.290 -0.074 0.000 0.554 88 C N 2.838 122.111 119.300 -0.044 0.000 2.581 88 C HA -0.269 nan 4.460 nan 0.000 0.287 88 C C 1.999 177.018 174.990 0.048 0.000 1.241 88 C CA 3.961 63.018 59.018 0.064 0.000 1.747 88 C CB -1.209 26.685 27.740 0.257 0.000 2.090 88 C HN 0.179 8.281 8.230 -0.070 0.086 0.460 89 V N 1.297 121.272 119.914 0.100 0.000 2.363 89 V HA -0.572 nan 4.120 nan 0.000 0.254 89 V C 2.190 178.240 176.094 -0.073 0.000 1.074 89 V CA 4.289 66.596 62.300 0.012 0.000 1.069 89 V CB -1.368 30.515 31.823 0.100 0.000 0.659 89 V HN 0.489 8.775 8.190 0.159 0.000 0.455 90 R N -0.348 120.109 120.500 -0.072 0.000 2.070 90 R HA -0.391 nan 4.340 nan 0.000 0.233 90 R C 1.872 178.122 176.300 -0.082 0.000 1.137 90 R CA 3.547 59.590 56.100 -0.094 0.000 0.945 90 R CB -0.219 30.007 30.300 -0.124 0.000 0.845 90 R HN 0.116 8.321 8.270 -0.067 0.025 0.430 91 A N -2.752 120.043 122.820 -0.041 0.000 1.968 91 A HA -0.112 nan 4.320 nan 0.000 0.217 91 A C 2.064 179.685 177.584 0.062 0.000 1.169 91 A CA 2.641 54.703 52.037 0.043 0.000 0.638 91 A CB -0.720 18.354 19.000 0.123 0.000 0.812 91 A HN -0.173 7.954 8.150 -0.038 0.000 0.446 92 G N -1.302 107.464 108.800 -0.057 0.000 2.440 92 G HA2 -0.364 nan 3.960 nan 0.000 0.218 92 G HA3 -0.364 nan 3.960 nan 0.000 0.218 92 G C 0.998 175.828 174.900 -0.117 0.000 1.154 92 G CA 2.115 47.121 45.100 -0.155 0.000 0.767 92 G HN 0.194 8.348 8.290 -0.077 0.090 0.552 93 I N 0.946 121.446 120.570 -0.117 0.000 2.333 93 I HA -0.385 nan 4.170 nan 0.000 0.246 93 I C 1.994 178.055 176.117 -0.093 0.000 1.106 93 I CA 3.453 64.696 61.300 -0.094 0.000 1.411 93 I CB -0.014 37.930 38.000 -0.094 0.000 1.082 93 I HN -0.133 8.003 8.210 -0.124 -0.001 0.420 94 E N 1.668 121.787 120.200 -0.136 0.000 2.171 94 E HA -0.351 nan 4.350 nan 0.000 0.197 94 E C 1.359 177.746 176.600 -0.355 0.000 0.997 94 E CA 2.827 59.066 56.400 -0.269 0.000 0.810 94 E CB 0.055 29.529 29.700 -0.378 0.000 0.738 94 E HN 0.119 8.242 8.360 -0.118 0.166 0.467 95 H N -4.501 114.538 119.070 -0.051 0.000 2.674 95 H HA 0.235 nan 4.556 nan 0.000 0.274 95 H C -0.652 174.657 175.328 -0.030 0.000 1.121 95 H CA -0.713 55.312 56.048 -0.038 0.000 1.132 95 H CB 0.305 30.044 29.762 -0.039 0.000 1.606 95 H HN -0.433 7.827 8.280 0.016 0.030 0.558 96 G N 0.732 109.566 108.800 0.057 0.000 2.372 96 G HA2 -0.396 nan 3.960 nan 0.000 0.297 96 G HA3 -0.396 nan 3.960 nan 0.000 0.297 96 G C -0.234 174.693 174.900 0.045 0.000 1.005 96 G CA 1.249 46.381 45.100 0.053 0.000 1.173 96 G HN -0.024 8.084 8.290 0.012 0.190 0.511 97 L N -2.743 118.484 121.223 0.007 0.000 2.616 97 L HA 0.083 nan 4.340 nan 0.000 0.229 97 L C 0.529 177.369 176.870 -0.050 0.000 1.110 97 L CA 0.561 55.386 54.840 -0.024 0.000 0.884 97 L CB 0.521 42.549 42.059 -0.052 0.000 1.115 97 L HN 0.282 8.506 8.230 -0.010 0.000 0.481 98 L N -4.424 116.767 121.223 -0.054 0.000 2.575 98 L HA 0.103 nan 4.340 nan 0.000 0.228 98 L C -0.318 176.594 176.870 0.069 0.000 1.075 98 L CA 0.198 55.002 54.840 -0.058 0.000 0.867 98 L CB 0.772 42.705 42.059 -0.211 0.000 1.097 98 L HN -0.887 7.273 8.230 -0.033 0.050 0.485 99 Y N 1.345 121.615 120.300 -0.049 0.000 2.650 99 Y HA -0.304 nan 4.550 nan 0.000 0.342 99 Y C -0.329 175.563 175.900 -0.014 0.000 1.110 99 Y CA 0.834 58.919 58.100 -0.026 0.000 1.438 99 Y CB -0.874 37.571 38.460 -0.025 0.000 1.181 99 Y HN -0.330 8.046 8.280 0.159 0.000 0.526 100 N N 4.840 123.416 118.700 -0.206 0.000 2.721 100 N HA -0.291 nan 4.740 nan 0.000 0.249 100 N C -1.442 173.974 175.510 -0.156 0.000 1.072 100 N CA 1.435 54.313 53.050 -0.287 0.000 0.710 100 N CB -1.221 36.906 38.487 -0.600 0.000 0.993 100 N HN 0.341 8.785 8.380 0.106 0.000 0.547 101 Q N -2.897 116.865 119.800 -0.063 0.000 2.456 101 Q HA 0.244 nan 4.340 nan 0.000 0.283 101 Q C -2.424 173.582 176.000 0.010 0.000 1.084 101 Q CA -1.746 54.036 55.803 -0.034 0.000 0.801 101 Q CB 3.754 32.473 28.738 -0.033 0.000 1.434 101 Q HN -0.922 7.324 8.270 -0.020 0.012 0.419 102 E N 0.802 121.007 120.200 0.008 0.000 2.191 102 E HA 0.279 nan 4.350 nan 0.000 0.274 102 E C -1.415 175.201 176.600 0.026 0.000 0.948 102 E CA -1.066 55.349 56.400 0.024 0.000 0.802 102 E CB 1.051 30.749 29.700 -0.004 0.000 1.137 102 E HN 0.121 8.475 8.360 -0.010 0.000 0.397 103 Q N 3.159 122.995 119.800 0.061 0.000 2.295 103 Q HA 0.351 nan 4.340 nan 0.000 0.268 103 Q C -2.183 173.828 176.000 0.018 0.000 1.010 103 Q CA -0.445 55.390 55.803 0.055 0.000 0.856 103 Q CB 4.493 33.305 28.738 0.123 0.000 1.349 103 Q HN 0.046 8.372 8.270 0.093 0.000 0.412 104 R N 3.358 123.776 120.500 -0.137 0.000 2.435 104 R HA 0.832 nan 4.340 nan 0.000 0.308 104 R C -1.443 174.744 176.300 -0.187 0.000 0.975 104 R CA -0.381 55.490 56.100 -0.381 0.000 0.867 104 R CB 1.241 30.899 30.300 -1.069 0.000 1.171 104 R HN 0.709 8.904 8.270 -0.125 0.000 0.470 105 L N -1.511 119.745 121.223 0.055 0.000 2.303 105 L HA 0.982 nan 4.340 nan 0.000 0.256 105 L C -2.060 174.947 176.870 0.229 0.000 1.034 105 L CA -2.193 52.738 54.840 0.151 0.000 0.832 105 L CB 3.530 45.643 42.059 0.090 0.000 1.403 105 L HN 0.854 9.128 8.230 0.072 0.000 0.419 106 W N -3.533 117.805 121.300 0.063 0.000 3.083 106 W HA 0.855 nan 4.660 nan 0.000 0.333 106 W C -2.938 173.548 176.519 -0.055 0.000 1.217 106 W CA -1.446 55.825 57.345 -0.122 0.000 1.170 106 W CB 2.902 32.339 29.460 -0.039 0.000 1.437 106 W HN 0.499 8.510 8.180 -0.282 0.000 0.557 107 Y N -5.948 114.420 120.300 0.114 0.000 2.615 107 Y HA 0.596 nan 4.550 nan 0.000 0.341 107 Y C -2.798 173.247 175.900 0.241 0.000 1.089 107 Y CA -2.187 55.888 58.100 -0.042 0.000 1.049 107 Y CB 2.478 40.932 38.460 -0.010 0.000 1.296 107 Y HN 0.684 8.620 8.280 -0.572 0.000 0.470 108 I N 0.258 121.087 120.570 0.431 0.000 2.644 108 I HA 0.580 nan 4.170 nan 0.000 0.291 108 I C -1.461 174.838 176.117 0.304 0.000 1.180 108 I CA -1.186 60.368 61.300 0.424 0.000 1.040 108 I CB 2.818 41.100 38.000 0.469 0.000 1.255 108 I HN 0.355 8.738 8.210 0.288 0.000 0.422 109 G N 6.342 115.311 108.800 0.281 0.000 2.317 109 G HA2 0.231 nan 3.960 nan 0.000 0.293 109 G HA3 0.231 nan 3.960 nan 0.000 0.293 109 G C -4.031 170.906 174.900 0.063 0.000 1.287 109 G CA 0.286 45.502 45.100 0.193 0.000 0.850 109 G HN 0.196 8.677 8.290 0.319 0.000 0.515 110 P HA 0.777 nan 4.420 nan 0.000 0.282 110 P C -1.849 175.061 177.300 -0.650 0.000 1.259 110 P CA -0.594 62.145 63.100 -0.601 0.000 0.826 110 P CB 1.333 32.612 31.700 -0.702 0.000 1.064 111 M N -2.150 116.746 119.600 -1.173 0.000 2.550 111 M HA 0.799 nan 4.480 nan 0.000 0.292 111 M C -1.534 173.918 176.300 -1.412 0.000 1.221 111 M CA -1.623 53.032 55.300 -1.075 0.000 0.873 111 M CB 5.038 36.854 32.600 -1.307 0.000 1.727 111 M HN 0.741 8.169 8.290 -1.436 0.000 0.459 112 F N 1.051 120.711 119.950 -0.483 0.000 2.493 112 F HA 0.660 nan 4.527 nan 0.000 0.329 112 F C -0.901 174.849 175.800 -0.084 0.000 1.126 112 F CA -1.137 56.636 58.000 -0.379 0.000 0.937 112 F CB 1.860 40.537 39.000 -0.538 0.000 1.146 112 F HN 1.002 9.128 8.300 -0.097 0.115 0.442 113 R N 0.492 121.135 120.500 0.240 0.000 2.673 113 R HA 0.330 nan 4.340 nan 0.000 0.281 113 R C -1.495 175.098 176.300 0.489 0.000 0.991 113 R CA -1.838 54.493 56.100 0.386 0.000 0.896 113 R CB 4.376 34.900 30.300 0.373 0.000 1.201 113 R HN 0.234 8.588 8.270 0.141 0.000 0.457 114 H N 5.001 124.329 119.070 0.430 0.000 2.787 114 H HA 0.050 nan 4.556 nan 0.000 0.275 114 H C -1.811 173.604 175.328 0.144 0.000 1.183 114 H CA -0.094 56.113 56.048 0.266 0.000 1.290 114 H CB 0.370 30.108 29.762 -0.039 0.000 1.438 114 H HN 0.616 9.021 8.280 0.450 0.144 0.487 115 E N 3.738 124.060 120.200 0.203 0.000 2.445 115 E HA 0.194 nan 4.350 nan 0.000 0.273 115 E C -1.669 174.991 176.600 0.100 0.000 0.961 115 E CA -1.968 54.521 56.400 0.148 0.000 0.807 115 E CB 4.185 33.941 29.700 0.095 0.000 1.362 115 E HN -0.568 7.858 8.360 0.109 0.000 0.453 116 R N 1.879 122.415 120.500 0.059 0.000 2.296 116 R HA 0.119 nan 4.340 nan 0.000 0.323 116 R C -1.878 174.407 176.300 -0.025 0.000 1.067 116 R CA -1.843 54.274 56.100 0.028 0.000 0.946 116 R CB -1.014 29.295 30.300 0.014 0.000 0.991 116 R HN 0.311 8.612 8.270 0.050 0.000 0.448 117 P HA -0.195 nan 4.420 nan 0.000 0.261 117 P C -1.456 175.763 177.300 -0.134 0.000 1.183 117 P CA 0.431 63.473 63.100 -0.097 0.000 0.761 117 P CB 0.132 31.804 31.700 -0.046 0.000 0.785 118 Q N 3.317 122.966 119.800 -0.251 0.000 3.078 118 Q HA 0.301 nan 4.340 nan 0.000 0.348 118 Q C -1.217 174.594 176.000 -0.314 0.000 0.861 118 Q CA -1.807 53.870 55.803 -0.210 0.000 0.822 118 Q CB 3.140 31.787 28.738 -0.151 0.000 1.395 118 Q HN 0.061 8.096 8.270 -0.391 0.000 0.497 119 K N -0.274 120.019 120.400 -0.178 0.000 2.044 119 K HA -0.040 nan 4.320 nan 0.000 0.204 119 K C 1.731 178.275 176.600 -0.092 0.000 1.049 119 K CA 1.423 57.658 56.287 -0.087 0.000 0.945 119 K CB -0.088 32.403 32.500 -0.014 0.000 0.724 119 K HN 0.392 8.569 8.250 -0.121 0.000 0.440 120 G N -2.057 106.683 108.800 -0.100 0.000 2.395 120 G HA2 -0.030 nan 3.960 nan 0.000 0.214 120 G HA3 -0.030 nan 3.960 nan 0.000 0.214 120 G C 0.184 175.027 174.900 -0.094 0.000 1.177 120 G CA 0.447 45.538 45.100 -0.015 0.000 0.794 120 G HN -0.492 7.926 8.290 -0.102 -0.189 0.532 121 R N 1.665 121.983 120.500 -0.303 0.000 2.459 121 R HA 0.168 nan 4.340 nan 0.000 0.281 121 R C -1.428 174.448 176.300 -0.707 0.000 1.050 121 R CA 0.011 55.923 56.100 -0.313 0.000 1.055 121 R CB 1.100 31.297 30.300 -0.171 0.000 1.045 121 R HN -0.594 7.516 8.270 -0.267 0.000 0.495 122 Y N -1.351 118.986 120.300 0.062 0.000 2.588 122 Y HA 0.319 nan 4.550 nan 0.000 0.343 122 Y C -0.580 175.389 175.900 0.115 0.000 1.065 122 Y CA -1.220 56.937 58.100 0.094 0.000 1.038 122 Y CB 3.355 41.898 38.460 0.139 0.000 1.297 122 Y HN -0.090 8.277 8.280 0.146 0.000 0.467 123 R N -2.107 118.508 120.500 0.191 0.000 2.119 123 R HA -0.149 nan 4.340 nan 0.000 0.222 123 R C -0.024 176.289 176.300 0.023 0.000 1.088 123 R CA 1.457 57.625 56.100 0.113 0.000 0.984 123 R CB 1.199 31.533 30.300 0.058 0.000 0.884 123 R HN 0.582 8.835 8.270 0.182 0.127 0.447 124 Q N -1.314 118.471 119.800 -0.025 0.000 2.363 124 Q HA 0.395 nan 4.340 nan 0.000 0.265 124 Q C -1.375 174.505 176.000 -0.199 0.000 1.032 124 Q CA -0.926 54.648 55.803 -0.383 0.000 0.746 124 Q CB 2.133 30.639 28.738 -0.386 0.000 1.237 124 Q HN -0.612 7.710 8.270 0.086 0.000 0.475 125 F N 3.474 123.211 119.950 -0.355 0.000 2.575 125 F HA 0.561 nan 4.527 nan 0.000 0.330 125 F C -2.199 173.373 175.800 -0.380 0.000 1.056 125 F CA -2.812 55.087 58.000 -0.169 0.000 0.964 125 F CB 2.579 41.613 39.000 0.057 0.000 1.258 125 F HN 0.594 8.410 8.300 -0.806 0.000 0.484 126 H N -0.855 118.381 119.070 0.277 0.000 2.466 126 H HA 0.555 nan 4.556 nan 0.000 0.338 126 H C -1.473 174.066 175.328 0.352 0.000 1.091 126 H CA -0.985 55.173 56.048 0.183 0.000 1.207 126 H CB 2.059 31.905 29.762 0.140 0.000 1.466 126 H HN 0.026 9.119 8.280 0.589 -0.460 0.493 127 Q N 1.679 121.713 119.800 0.390 0.000 2.365 127 Q HA 0.756 nan 4.340 nan 0.000 0.269 127 Q C -2.524 173.708 176.000 0.387 0.000 1.061 127 Q CA -1.659 54.400 55.803 0.425 0.000 0.816 127 Q CB 4.042 33.063 28.738 0.470 0.000 1.325 127 Q HN 0.362 8.787 8.270 0.259 0.000 0.446 128 L N 3.477 124.904 121.223 0.340 0.000 2.333 128 L HA 0.838 nan 4.340 nan 0.000 0.280 128 L C -2.397 174.643 176.870 0.283 0.000 1.004 128 L CA -1.874 53.145 54.840 0.299 0.000 0.820 128 L CB 3.098 45.260 42.059 0.173 0.000 1.247 128 L HN 0.037 8.465 8.230 0.331 0.000 0.416 129 G N 3.359 112.181 108.800 0.036 0.000 2.690 129 G HA2 0.666 nan 3.960 nan 0.000 0.293 129 G HA3 0.666 nan 3.960 nan 0.000 0.293 129 G C -3.043 171.499 174.900 -0.596 0.000 1.399 129 G CA -0.453 44.544 45.100 -0.173 0.000 0.890 129 G HN 0.311 8.551 8.290 -0.082 0.000 0.485 130 C N -1.493 117.440 119.300 -0.611 0.000 2.888 130 C HA 0.972 nan 4.460 nan 0.000 0.308 130 C C -1.939 172.883 174.990 -0.280 0.000 1.213 130 C CA -2.761 56.006 59.018 -0.418 0.000 1.461 130 C CB 3.324 30.901 27.740 -0.271 0.000 1.934 130 C HN 0.608 8.380 8.230 -0.765 0.000 0.474 131 E N -0.271 119.890 120.200 -0.064 0.000 2.312 131 E HA 0.783 nan 4.350 nan 0.000 0.267 131 E C -2.342 174.191 176.600 -0.112 0.000 0.894 131 E CA -2.089 54.268 56.400 -0.072 0.000 0.773 131 E CB 4.085 33.787 29.700 0.003 0.000 1.241 131 E HN 0.341 8.703 8.360 0.003 0.000 0.432 132 V N -2.144 117.579 119.914 -0.318 0.000 2.612 132 V HA 0.842 nan 4.120 nan 0.000 0.301 132 V C -2.399 173.436 176.094 -0.431 0.000 1.059 132 V CA -1.466 60.699 62.300 -0.225 0.000 0.886 132 V CB 2.124 33.895 31.823 -0.086 0.000 1.007 132 V HN 0.361 8.304 8.190 -0.411 0.000 0.426 133 F N 6.222 126.154 119.950 -0.030 0.000 2.458 133 F HA 0.724 nan 4.527 nan 0.000 0.330 133 F C 0.260 176.037 175.800 -0.037 0.000 1.082 133 F CA -2.210 55.764 58.000 -0.043 0.000 0.995 133 F CB 2.547 41.539 39.000 -0.013 0.000 1.170 133 F HN 0.570 9.031 8.300 0.268 0.000 0.478 134 G N 0.409 109.295 108.800 0.144 0.000 2.238 134 G HA2 -0.384 nan 3.960 nan 0.000 0.217 134 G HA3 -0.384 nan 3.960 nan 0.000 0.217 134 G C -1.459 173.464 174.900 0.039 0.000 0.996 134 G CA 0.081 45.231 45.100 0.084 0.000 0.632 134 G HN 0.689 8.941 8.290 0.129 0.115 0.503 135 L N 1.149 122.382 121.223 0.017 0.000 2.287 135 L HA 0.159 nan 4.340 nan 0.000 0.287 135 L C -0.180 176.708 176.870 0.029 0.000 1.022 135 L CA -1.645 53.204 54.840 0.015 0.000 0.814 135 L CB 0.377 42.438 42.059 0.004 0.000 1.217 135 L HN -0.402 7.828 8.230 -0.000 0.000 0.420 136 Q N 4.512 124.340 119.800 0.047 0.000 1.911 136 Q HA -0.183 nan 4.340 nan 0.000 0.202 136 Q C 0.436 176.515 176.000 0.131 0.000 0.976 136 Q CA 1.077 56.938 55.803 0.097 0.000 0.845 136 Q CB 0.281 29.074 28.738 0.091 0.000 0.903 136 Q HN 0.362 8.654 8.270 0.036 0.000 0.437 137 G N -0.883 107.933 108.800 0.027 0.000 2.765 137 G HA2 -0.124 nan 3.960 nan 0.000 0.230 137 G HA3 -0.124 nan 3.960 nan 0.000 0.230 137 G C -0.008 174.722 174.900 -0.282 0.000 1.238 137 G CA -1.214 43.797 45.100 -0.149 0.000 0.854 137 G HN -0.132 8.174 8.290 0.026 0.000 0.579 138 P HA -0.182 nan 4.420 nan 0.000 0.219 138 P C 0.509 177.694 177.300 -0.192 0.000 1.146 138 P CA 2.192 65.018 63.100 -0.458 0.000 0.808 138 P CB 0.066 31.474 31.700 -0.486 0.000 0.779 139 D N -1.373 118.933 120.400 -0.157 0.000 2.154 139 D HA -0.352 nan 4.640 nan 0.000 0.190 139 D C 2.086 178.352 176.300 -0.056 0.000 1.003 139 D CA 3.077 57.021 54.000 -0.094 0.000 0.849 139 D CB -1.209 39.549 40.800 -0.071 0.000 0.942 139 D HN 0.398 8.623 8.370 -0.182 0.035 0.446 140 I N -1.719 118.831 120.570 -0.033 0.000 2.394 140 I HA -0.331 nan 4.170 nan 0.000 0.251 140 I C 0.501 176.625 176.117 0.012 0.000 1.136 140 I CA 1.590 62.895 61.300 0.008 0.000 1.425 140 I CB -0.254 37.758 38.000 0.019 0.000 1.079 140 I HN -0.677 7.506 8.210 -0.045 0.000 0.425 141 D N 0.288 120.688 120.400 -0.000 0.000 2.097 141 D HA -0.298 nan 4.640 nan 0.000 0.197 141 D C 2.240 178.484 176.300 -0.093 0.000 0.984 141 D CA 3.325 57.325 54.000 -0.001 0.000 0.826 141 D CB -0.991 39.837 40.800 0.047 0.000 0.973 141 D HN -0.331 7.896 8.370 -0.017 0.132 0.460 142 A N -0.148 122.607 122.820 -0.108 0.000 1.892 142 A HA -0.378 nan 4.320 nan 0.000 0.218 142 A C 1.782 179.300 177.584 -0.110 0.000 1.188 142 A CA 3.300 55.257 52.037 -0.134 0.000 0.631 142 A CB -0.862 18.062 19.000 -0.126 0.000 0.822 142 A HN 0.244 8.336 8.150 -0.097 0.000 0.447 143 E N -0.966 119.199 120.200 -0.057 0.000 2.085 143 E HA -0.356 nan 4.350 nan 0.000 0.194 143 E C 2.424 178.943 176.600 -0.137 0.000 0.994 143 E CA 2.983 59.366 56.400 -0.029 0.000 0.801 143 E CB -0.148 29.595 29.700 0.070 0.000 0.743 143 E HN -0.444 7.822 8.360 -0.040 0.070 0.453 144 L N -1.255 119.906 121.223 -0.104 0.000 2.046 144 L HA -0.352 nan 4.340 nan 0.000 0.208 144 L C 2.308 179.017 176.870 -0.268 0.000 1.077 144 L CA 3.260 58.043 54.840 -0.095 0.000 0.747 144 L CB -0.076 42.062 42.059 0.132 0.000 0.896 144 L HN -0.432 7.678 8.230 -0.048 0.091 0.432 145 I N -0.558 119.838 120.570 -0.290 0.000 2.142 145 I HA -0.662 nan 4.170 nan 0.000 0.240 145 I C 1.927 177.892 176.117 -0.252 0.000 1.078 145 I CA 4.304 65.449 61.300 -0.257 0.000 1.343 145 I CB -0.096 37.787 38.000 -0.195 0.000 1.046 145 I HN -0.210 7.774 8.210 -0.253 0.075 0.405 146 M N -0.904 118.568 119.600 -0.214 0.000 2.144 146 M HA -0.489 nan 4.480 nan 0.000 0.260 146 M C 2.344 178.417 176.300 -0.378 0.000 1.067 146 M CA 4.298 59.480 55.300 -0.197 0.000 1.095 146 M CB -0.203 32.348 32.600 -0.082 0.000 1.365 146 M HN 0.123 8.304 8.290 -0.181 0.000 0.406 147 L N -1.260 119.589 121.223 -0.623 0.000 2.017 147 L HA -0.418 nan 4.340 nan 0.000 0.208 147 L C 1.559 177.683 176.870 -1.243 0.000 1.073 147 L CA 3.515 57.702 54.840 -1.088 0.000 0.745 147 L CB -0.029 41.220 42.059 -1.351 0.000 0.894 147 L HN 0.196 8.005 8.230 -0.532 0.102 0.432 148 T N -3.325 110.486 114.554 -1.237 0.000 2.867 148 T HA -0.292 nan 4.350 nan 0.000 0.268 148 T C 1.711 175.363 174.700 -1.746 0.000 1.057 148 T CA 3.591 64.739 62.100 -1.587 0.000 1.136 148 T CB -0.673 67.364 68.868 -1.385 0.000 0.874 148 T HN -0.247 7.340 8.240 -0.958 0.078 0.466 149 A N 2.543 124.730 122.820 -1.056 0.000 1.902 149 A HA -0.297 nan 4.320 nan 0.000 0.217 149 A C 1.595 178.842 177.584 -0.561 0.000 1.181 149 A CA 3.046 54.649 52.037 -0.724 0.000 0.623 149 A CB -0.959 17.916 19.000 -0.209 0.000 0.818 149 A HN 0.423 7.917 8.150 -0.750 0.206 0.443 150 R N -1.202 119.020 120.500 -0.463 0.000 2.091 150 R HA -0.344 nan 4.340 nan 0.000 0.238 150 R C 2.068 178.241 176.300 -0.211 0.000 1.136 150 R CA 3.336 59.288 56.100 -0.247 0.000 0.959 150 R CB -0.028 30.184 30.300 -0.147 0.000 0.856 150 R HN -0.126 7.761 8.270 -0.513 0.076 0.437 151 W N -1.877 119.039 121.300 -0.640 0.000 2.318 151 W HA -0.316 nan 4.660 nan 0.000 0.313 151 W C 2.377 178.702 176.519 -0.324 0.000 1.221 151 W CA 2.628 59.614 57.345 -0.599 0.000 1.266 151 W CB -0.951 27.905 29.460 -1.005 0.000 1.150 151 W HN -0.422 7.266 8.180 -0.684 0.081 0.496 152 W N -3.787 117.506 121.300 -0.013 0.000 2.355 152 W HA -0.523 nan 4.660 nan 0.000 0.309 152 W C 2.283 178.785 176.519 -0.029 0.000 1.206 152 W CA 1.161 58.462 57.345 -0.073 0.000 1.284 152 W CB -0.446 28.930 29.460 -0.141 0.000 1.145 152 W HN -0.671 6.938 8.180 -0.952 0.000 0.502 153 R N -0.635 119.956 120.500 0.152 0.000 2.103 153 R HA -0.434 nan 4.340 nan 0.000 0.242 153 R C 2.384 178.739 176.300 0.091 0.000 1.142 153 R CA 3.106 59.266 56.100 0.100 0.000 0.960 153 R CB -0.245 30.081 30.300 0.044 0.000 0.858 153 R HN -0.355 7.952 8.270 0.062 0.000 0.439 154 A N -1.383 121.484 122.820 0.079 0.000 2.014 154 A HA -0.077 nan 4.320 nan 0.000 0.218 154 A C 1.414 179.066 177.584 0.114 0.000 1.163 154 A CA 2.288 54.375 52.037 0.083 0.000 0.652 154 A CB -0.171 18.870 19.000 0.070 0.000 0.808 154 A HN -0.156 7.929 8.150 0.062 0.102 0.449 155 L N -4.688 116.594 121.223 0.097 0.000 2.585 155 L HA 0.087 nan 4.340 nan 0.000 0.226 155 L C 1.105 177.982 176.870 0.011 0.000 1.113 155 L CA -0.712 54.146 54.840 0.030 0.000 0.876 155 L CB -0.411 41.610 42.059 -0.064 0.000 1.072 155 L HN -0.443 7.714 8.230 0.113 0.141 0.468 156 G N -0.484 108.368 108.800 0.087 0.000 2.143 156 G HA2 -0.338 nan 3.960 nan 0.000 0.248 156 G HA3 -0.338 nan 3.960 nan 0.000 0.248 156 G C 0.171 175.108 174.900 0.063 0.000 0.991 156 G CA 1.121 46.273 45.100 0.087 0.000 0.689 156 G HN -0.009 8.181 8.290 0.112 0.167 0.522 157 I N -6.522 114.087 120.570 0.066 0.000 3.877 157 I HA 0.450 nan 4.170 nan 0.000 0.332 157 I C 0.272 176.460 176.117 0.118 0.000 1.525 157 I CA -2.040 59.290 61.300 0.050 0.000 1.146 157 I CB 0.058 38.003 38.000 -0.092 0.000 1.137 157 I HN -0.509 7.721 8.210 0.098 0.039 0.424 158 S N 2.981 118.789 115.700 0.181 0.000 2.382 158 S HA -0.311 nan 4.470 nan 0.000 0.228 158 S C 1.494 176.177 174.600 0.138 0.000 1.027 158 S CA 3.009 61.339 58.200 0.217 0.000 0.991 158 S CB -0.537 62.782 63.200 0.198 0.000 0.823 158 S HN -0.175 8.152 8.310 0.168 0.084 0.469 159 E N -0.034 120.233 120.200 0.112 0.000 2.516 159 E HA -0.154 nan 4.350 nan 0.000 0.199 159 E C -0.428 176.011 176.600 -0.268 0.000 1.069 159 E CA 1.018 57.398 56.400 -0.032 0.000 0.876 159 E CB -0.377 29.310 29.700 -0.023 0.000 0.843 159 E HN 0.221 8.660 8.360 0.151 0.012 0.530 160 H N -1.591 117.459 119.070 -0.034 0.000 2.825 160 H HA 0.223 nan 4.556 nan 0.000 0.226 160 H C -1.810 173.438 175.328 -0.133 0.000 1.414 160 H CA -0.386 55.618 56.048 -0.074 0.000 1.198 160 H CB 0.663 30.370 29.762 -0.093 0.000 2.013 160 H HN -0.399 7.737 8.280 0.109 0.209 0.530 161 V N -6.335 113.572 119.914 -0.013 0.000 3.036 161 V HA 0.323 nan 4.120 nan 0.000 0.288 161 V C -1.637 174.552 176.094 0.160 0.000 1.407 161 V CA -0.726 61.569 62.300 -0.007 0.000 0.983 161 V CB 2.690 34.331 31.823 -0.303 0.000 1.128 161 V HN -0.559 7.642 8.190 0.017 0.000 0.439 162 T N 3.358 117.967 114.554 0.091 0.000 2.907 162 T HA 0.524 nan 4.350 nan 0.000 0.292 162 T C -2.173 172.319 174.700 -0.347 0.000 1.043 162 T CA -1.148 60.916 62.100 -0.061 0.000 1.003 162 T CB 2.750 71.576 68.868 -0.070 0.000 1.084 162 T HN 0.437 8.682 8.240 0.066 0.034 0.483 163 L N 3.407 124.288 121.223 -0.571 0.000 2.265 163 L HA 0.533 nan 4.340 nan 0.000 0.289 163 L C -2.106 174.573 176.870 -0.319 0.000 1.033 163 L CA -0.914 53.447 54.840 -0.798 0.000 0.814 163 L CB 1.702 43.201 42.059 -0.932 0.000 1.203 163 L HN 0.446 8.450 8.230 -0.376 0.000 0.423 164 E N 6.202 126.268 120.200 -0.223 0.000 2.204 164 E HA 0.752 nan 4.350 nan 0.000 0.276 164 E C -2.182 174.421 176.600 0.006 0.000 0.974 164 E CA -0.981 55.363 56.400 -0.093 0.000 0.815 164 E CB 2.979 32.634 29.700 -0.076 0.000 1.119 164 E HN 0.858 9.060 8.360 -0.264 0.000 0.393 165 L N 2.729 123.999 121.223 0.078 0.000 2.393 165 L HA 0.826 nan 4.340 nan 0.000 0.260 165 L C -2.440 174.589 176.870 0.266 0.000 1.002 165 L CA -1.247 53.746 54.840 0.255 0.000 0.818 165 L CB 4.363 46.639 42.059 0.361 0.000 1.369 165 L HN 0.836 8.988 8.230 0.024 0.092 0.412 166 N N 2.306 121.166 118.700 0.267 0.000 3.043 166 N HA 0.212 nan 4.740 nan 0.000 0.243 166 N C -3.284 172.014 175.510 -0.353 0.000 1.347 166 N CA 0.244 53.192 53.050 -0.169 0.000 0.896 166 N CB 3.606 42.014 38.487 -0.133 0.000 1.501 166 N HN 0.794 9.412 8.380 0.398 0.000 0.504 167 S N 1.167 116.397 115.700 -0.783 0.000 2.519 167 S HA 0.648 nan 4.470 nan 0.000 0.309 167 S C -0.465 173.952 174.600 -0.305 0.000 1.100 167 S CA -2.405 55.503 58.200 -0.487 0.000 1.059 167 S CB 0.846 63.665 63.200 -0.635 0.000 1.008 167 S HN 0.045 7.795 8.310 -0.933 0.000 0.478 168 I N 2.426 122.901 120.570 -0.158 0.000 3.805 168 I HA 0.506 nan 4.170 nan 0.000 0.337 168 I C -0.167 175.887 176.117 -0.104 0.000 1.539 168 I CA -1.745 59.474 61.300 -0.136 0.000 1.176 168 I CB -1.135 36.820 38.000 -0.075 0.000 1.248 168 I HN 0.377 8.433 8.210 -0.090 0.100 0.437 169 G N 1.089 109.823 108.800 -0.110 0.000 2.602 169 G HA2 -0.504 nan 3.960 nan 0.000 0.306 169 G HA3 -0.504 nan 3.960 nan 0.000 0.306 169 G C -1.231 173.649 174.900 -0.034 0.000 1.301 169 G CA 0.887 45.942 45.100 -0.076 0.000 0.974 169 G HN -0.542 7.580 8.290 -0.140 0.084 0.547 170 S N -0.880 114.808 115.700 -0.020 0.000 2.795 170 S HA 0.306 nan 4.470 nan 0.000 0.308 170 S C 1.425 176.037 174.600 0.020 0.000 1.098 170 S CA -1.545 56.660 58.200 0.009 0.000 0.934 170 S CB 2.396 65.603 63.200 0.012 0.000 1.300 170 S HN -0.419 7.986 8.310 -0.029 -0.112 0.566 171 L N 2.073 123.317 121.223 0.035 0.000 1.976 171 L HA -0.198 nan 4.340 nan 0.000 0.209 171 L C 2.455 179.349 176.870 0.039 0.000 1.071 171 L CA 2.943 57.809 54.840 0.042 0.000 0.746 171 L CB -1.734 40.352 42.059 0.045 0.000 0.890 171 L HN 0.534 8.786 8.230 0.037 0.000 0.432 172 E N -1.088 119.133 120.200 0.035 0.000 2.086 172 E HA -0.405 nan 4.350 nan 0.000 0.200 172 E C 2.117 178.742 176.600 0.041 0.000 1.012 172 E CA 4.004 60.426 56.400 0.037 0.000 0.812 172 E CB -0.649 29.070 29.700 0.030 0.000 0.743 172 E HN 0.391 8.771 8.360 0.032 0.000 0.453 173 A N -2.127 120.708 122.820 0.025 0.000 1.933 173 A HA -0.198 nan 4.320 nan 0.000 0.218 173 A C 1.256 178.864 177.584 0.040 0.000 1.175 173 A CA 2.455 54.502 52.037 0.016 0.000 0.628 173 A CB -0.493 18.486 19.000 -0.035 0.000 0.814 173 A HN -0.716 7.443 8.150 0.015 0.000 0.444 174 R N -2.778 117.740 120.500 0.030 0.000 2.148 174 R HA -0.121 nan 4.340 nan 0.000 0.223 174 R C 2.379 178.757 176.300 0.131 0.000 1.088 174 R CA 2.023 58.166 56.100 0.072 0.000 0.985 174 R CB 0.290 30.614 30.300 0.041 0.000 0.880 174 R HN -0.450 7.751 8.270 0.018 0.079 0.451 175 A N 0.503 123.378 122.820 0.092 0.000 1.821 175 A HA -0.182 nan 4.320 nan 0.000 0.215 175 A C 0.783 178.422 177.584 0.092 0.000 1.214 175 A CA 2.775 54.859 52.037 0.079 0.000 0.608 175 A CB -0.313 18.721 19.000 0.056 0.000 0.862 175 A HN 0.667 8.617 8.150 0.071 0.242 0.448 176 N N -2.075 116.678 118.700 0.089 0.000 2.926 176 N HA -0.208 nan 4.740 nan 0.000 0.284 176 N C -0.681 174.921 175.510 0.153 0.000 1.303 176 N CA 0.352 53.455 53.050 0.089 0.000 1.062 176 N CB -1.604 36.923 38.487 0.067 0.000 1.389 176 N HN -0.061 8.366 8.380 0.077 0.000 0.538 177 Y N -0.041 120.262 120.300 0.005 0.000 2.425 177 Y HA 0.205 nan 4.550 nan 0.000 0.261 177 Y C -0.174 175.727 175.900 0.002 0.000 1.084 177 Y CA 0.696 58.794 58.100 -0.002 0.000 1.248 177 Y CB 2.761 41.215 38.460 -0.010 0.000 1.270 177 Y HN -0.011 8.243 8.280 0.179 0.134 0.524 178 R N 0.509 120.992 120.500 -0.028 0.000 2.091 178 R HA -0.466 nan 4.340 nan 0.000 0.238 178 R C 1.543 177.770 176.300 -0.122 0.000 1.136 178 R CA 4.069 60.128 56.100 -0.068 0.000 0.959 178 R CB -0.827 29.471 30.300 -0.003 0.000 0.856 178 R HN -0.407 7.904 8.270 0.068 0.000 0.437 179 D N -0.695 119.653 120.400 -0.088 0.000 2.088 179 D HA -0.284 nan 4.640 nan 0.000 0.191 179 D C 1.774 177.997 176.300 -0.128 0.000 0.992 179 D CA 2.592 56.548 54.000 -0.073 0.000 0.831 179 D CB -1.594 39.187 40.800 -0.032 0.000 0.973 179 D HN 0.052 8.391 8.370 -0.049 0.002 0.447 180 A N -1.202 121.487 122.820 -0.217 0.000 2.024 180 A HA -0.159 nan 4.320 nan 0.000 0.220 180 A C 1.028 178.386 177.584 -0.376 0.000 1.164 180 A CA 2.313 54.185 52.037 -0.276 0.000 0.643 180 A CB -0.363 18.464 19.000 -0.289 0.000 0.806 180 A HN -0.094 7.935 8.150 -0.202 0.000 0.451 181 L N -2.723 118.190 121.223 -0.518 0.000 2.194 181 L HA -0.018 nan 4.340 nan 0.000 0.197 181 L C 1.530 178.353 176.870 -0.080 0.000 1.106 181 L CA 2.471 57.091 54.840 -0.367 0.000 0.785 181 L CB 0.991 42.794 42.059 -0.426 0.000 0.960 181 L HN -0.492 7.265 8.230 -0.572 0.130 0.465 182 V N -0.136 119.734 119.914 -0.073 0.000 2.392 182 V HA -0.442 nan 4.120 nan 0.000 0.249 182 V C 1.839 177.948 176.094 0.025 0.000 1.059 182 V CA 3.090 65.388 62.300 -0.003 0.000 1.051 182 V CB -1.572 30.241 31.823 -0.015 0.000 0.658 182 V HN -0.248 7.863 8.190 -0.133 0.000 0.455 183 A N 0.240 123.067 122.820 0.011 0.000 1.851 183 A HA -0.303 nan 4.320 nan 0.000 0.216 183 A C 1.334 178.953 177.584 0.059 0.000 1.195 183 A CA 2.689 54.737 52.037 0.019 0.000 0.622 183 A CB -0.285 18.721 19.000 0.010 0.000 0.831 183 A HN -0.287 7.849 8.150 -0.023 0.000 0.444 184 F N -0.498 119.408 119.950 -0.073 0.000 2.192 184 F HA -0.303 nan 4.527 nan 0.000 0.301 184 F C 0.538 176.311 175.800 -0.046 0.000 1.079 184 F CA 1.072 59.038 58.000 -0.058 0.000 1.303 184 F CB 0.477 39.436 39.000 -0.068 0.000 1.024 184 F HN -0.372 8.032 8.300 0.175 0.000 0.494 229 L N 0.880 122.064 121.223 -0.066 0.000 2.454 229 L HA 0.187 nan 4.340 nan 0.000 0.256 229 L C -0.477 176.377 176.870 -0.026 0.000 1.136 229 L CA -1.060 53.738 54.840 -0.070 0.000 0.804 229 L CB 1.425 43.437 42.059 -0.079 0.000 1.181 229 L HN -0.687 7.512 8.230 -0.053 0.000 0.469 230 D N -2.282 118.105 120.400 -0.021 0.000 2.225 230 D HA -0.029 nan 4.640 nan 0.000 0.249 230 D C 0.148 176.457 176.300 0.015 0.000 1.052 230 D CA -0.594 53.407 54.000 0.002 0.000 0.909 230 D CB 2.038 42.840 40.800 0.004 0.000 1.186 230 D HN -0.095 8.253 8.370 -0.036 0.000 0.431 231 E N 1.282 121.497 120.200 0.025 0.000 2.033 231 E HA -0.474 nan 4.350 nan 0.000 0.199 231 E C 1.546 178.177 176.600 0.051 0.000 1.011 231 E CA 3.643 60.065 56.400 0.036 0.000 0.815 231 E CB -0.343 29.378 29.700 0.035 0.000 0.755 231 E HN 0.652 9.026 8.360 0.023 0.000 0.451 232 E N -3.723 116.506 120.200 0.049 0.000 2.219 232 E HA -0.293 nan 4.350 nan 0.000 0.198 232 E C 2.688 179.338 176.600 0.084 0.000 0.998 232 E CA 2.797 59.238 56.400 0.068 0.000 0.818 232 E CB -1.080 28.655 29.700 0.058 0.000 0.741 232 E HN 0.585 8.969 8.360 0.040 0.000 0.477 233 S N -0.881 114.848 115.700 0.049 0.000 2.446 233 S HA -0.140 nan 4.470 nan 0.000 0.225 233 S C 1.776 176.441 174.600 0.108 0.000 1.016 233 S CA 1.626 59.847 58.200 0.035 0.000 0.943 233 S CB -0.268 62.918 63.200 -0.023 0.000 0.786 233 S HN -0.285 8.006 8.310 0.033 0.039 0.508 234 R N 1.420 121.978 120.500 0.096 0.000 2.062 234 R HA -0.311 nan 4.340 nan 0.000 0.231 234 R C 2.217 178.629 176.300 0.185 0.000 1.136 234 R CA 3.348 59.525 56.100 0.129 0.000 0.948 234 R CB -0.226 30.124 30.300 0.082 0.000 0.845 234 R HN -0.422 7.786 8.270 0.066 0.102 0.430 235 E N -0.866 119.421 120.200 0.146 0.000 2.038 235 E HA -0.351 nan 4.350 nan 0.000 0.195 235 E C 2.153 178.861 176.600 0.179 0.000 1.000 235 E CA 3.636 60.115 56.400 0.132 0.000 0.803 235 E CB -0.280 29.479 29.700 0.099 0.000 0.750 235 E HN -0.071 8.359 8.360 0.117 0.000 0.448 236 H N 0.252 119.377 119.070 0.093 0.000 2.422 236 H HA -0.294 nan 4.556 nan 0.000 0.298 236 H C 2.177 177.581 175.328 0.128 0.000 1.098 236 H CA 2.702 58.805 56.048 0.092 0.000 1.315 236 H CB 0.258 30.078 29.762 0.097 0.000 1.382 236 H HN -0.578 7.871 8.280 0.282 0.000 0.523 237 F N -0.336 119.758 119.950 0.240 0.000 2.187 237 F HA -0.305 nan 4.527 nan 0.000 0.295 237 F C 0.814 176.681 175.800 0.112 0.000 1.091 237 F CA 2.546 60.654 58.000 0.180 0.000 1.308 237 F CB 0.028 39.098 39.000 0.117 0.000 1.030 237 F HN -0.524 7.914 8.300 0.435 0.123 0.487 238 A N -0.581 122.316 122.820 0.128 0.000 1.877 238 A HA -0.367 nan 4.320 nan 0.000 0.216 238 A C 2.065 179.607 177.584 -0.071 0.000 1.186 238 A CA 3.408 55.455 52.037 0.016 0.000 0.620 238 A CB -1.024 18.022 19.000 0.077 0.000 0.822 238 A HN 0.410 8.708 8.150 0.247 0.000 0.443 239 G N -2.324 106.449 108.800 -0.045 0.000 2.469 239 G HA2 -0.334 nan 3.960 nan 0.000 0.220 239 G HA3 -0.334 nan 3.960 nan 0.000 0.220 239 G C 0.857 175.663 174.900 -0.156 0.000 1.136 239 G CA 1.970 47.015 45.100 -0.091 0.000 0.759 239 G HN 0.429 8.727 8.290 0.014 0.000 0.562 240 L N 0.552 121.655 121.223 -0.200 0.000 2.095 240 L HA -0.061 nan 4.340 nan 0.000 0.204 240 L C 1.519 178.182 176.870 -0.344 0.000 1.080 240 L CA 2.767 57.453 54.840 -0.257 0.000 0.759 240 L CB 0.061 41.978 42.059 -0.237 0.000 0.914 240 L HN -0.702 7.312 8.230 -0.163 0.119 0.439 241 C N -1.032 118.020 119.300 -0.413 0.000 2.411 241 C HA -0.435 nan 4.460 nan 0.000 0.279 241 C C 2.009 176.795 174.990 -0.341 0.000 1.288 241 C CA 4.011 62.786 59.018 -0.405 0.000 1.764 241 C CB -2.289 25.341 27.740 -0.184 0.000 1.974 241 C HN 0.325 8.114 8.230 -0.433 0.182 0.498 242 K N 0.488 120.758 120.400 -0.217 0.000 1.973 242 K HA -0.292 nan 4.320 nan 0.000 0.210 242 K C 1.956 178.444 176.600 -0.186 0.000 1.045 242 K CA 3.478 59.668 56.287 -0.162 0.000 0.937 242 K CB -0.125 32.312 32.500 -0.105 0.000 0.721 242 K HN -0.066 7.960 8.250 -0.196 0.106 0.438 243 L N -0.756 120.360 121.223 -0.179 0.000 2.103 243 L HA -0.372 nan 4.340 nan 0.000 0.215 243 L C 2.938 179.697 176.870 -0.184 0.000 1.080 243 L CA 3.140 57.884 54.840 -0.161 0.000 0.764 243 L CB -1.007 40.960 42.059 -0.153 0.000 0.890 243 L HN -0.353 7.773 8.230 -0.174 0.000 0.435 244 L N -2.609 118.452 121.223 -0.270 0.000 2.068 244 L HA -0.301 nan 4.340 nan 0.000 0.204 244 L C 2.322 179.025 176.870 -0.278 0.000 1.076 244 L CA 3.380 58.036 54.840 -0.307 0.000 0.753 244 L CB -1.726 40.029 42.059 -0.507 0.000 0.910 244 L HN -0.245 7.767 8.230 -0.318 0.027 0.439 245 E N -0.709 119.300 120.200 -0.318 0.000 2.033 245 E HA -0.440 nan 4.350 nan 0.000 0.199 245 E C 3.051 179.577 176.600 -0.122 0.000 1.011 245 E CA 3.386 59.665 56.400 -0.203 0.000 0.815 245 E CB -0.513 29.098 29.700 -0.149 0.000 0.755 245 E HN -0.487 7.575 8.360 -0.386 0.067 0.451 246 S N 0.251 115.884 115.700 -0.112 0.000 2.365 246 S HA -0.283 nan 4.470 nan 0.000 0.225 246 S C 1.665 176.221 174.600 -0.073 0.000 1.039 246 S CA 2.811 60.964 58.200 -0.079 0.000 1.033 246 S CB 0.066 63.221 63.200 -0.075 0.000 0.887 246 S HN -0.114 8.118 8.310 -0.131 0.000 0.447 247 A N 0.032 122.798 122.820 -0.090 0.000 2.125 247 A HA -0.100 nan 4.320 nan 0.000 0.219 247 A C 0.342 177.894 177.584 -0.054 0.000 1.156 247 A CA 0.273 52.267 52.037 -0.072 0.000 0.671 247 A CB 0.074 19.023 19.000 -0.085 0.000 0.794 247 A HN -0.376 7.529 8.150 -0.116 0.176 0.459 248 G N -2.666 106.098 108.800 -0.060 0.000 2.182 248 G HA2 -0.396 nan 3.960 nan 0.000 0.248 248 G HA3 -0.396 nan 3.960 nan 0.000 0.248 248 G C -0.553 174.339 174.900 -0.014 0.000 1.042 248 G CA -0.056 45.025 45.100 -0.032 0.000 0.775 248 G HN -0.153 7.884 8.290 -0.082 0.203 0.501 249 I N 1.076 121.621 120.570 -0.043 0.000 2.312 249 I HA -0.013 nan 4.170 nan 0.000 0.290 249 I C -1.293 174.813 176.117 -0.017 0.000 1.008 249 I CA -0.626 60.674 61.300 0.000 0.000 1.226 249 I CB 0.681 38.679 38.000 -0.003 0.000 1.371 249 I HN -0.342 7.811 8.210 -0.094 0.000 0.468 250 A N 9.484 132.340 122.820 0.061 0.000 2.350 250 A HA 0.206 nan 4.320 nan 0.000 0.293 250 A C -1.333 176.334 177.584 0.139 0.000 1.231 250 A CA -0.256 51.845 52.037 0.107 0.000 0.883 250 A CB 0.281 19.332 19.000 0.084 0.000 1.133 250 A HN 0.441 8.645 8.150 0.090 0.000 0.533 251 Y N 0.415 120.659 120.300 -0.094 0.000 2.631 251 Y HA 0.760 nan 4.550 nan 0.000 0.328 251 Y C -1.300 174.548 175.900 -0.086 0.000 1.118 251 Y CA -4.088 53.933 58.100 -0.131 0.000 1.206 251 Y CB 1.120 39.501 38.460 -0.133 0.000 1.337 251 Y HN -0.282 8.453 8.280 0.759 0.000 0.515 252 T N -2.811 111.616 114.554 -0.211 0.000 3.109 252 T HA 0.287 nan 4.350 nan 0.000 0.311 252 T C -1.980 172.577 174.700 -0.239 0.000 1.011 252 T CA -0.560 61.370 62.100 -0.284 0.000 1.026 252 T CB 1.969 70.748 68.868 -0.148 0.000 1.047 252 T HN 0.309 8.495 8.240 -0.091 0.000 0.448 253 V N 3.276 123.023 119.914 -0.280 0.000 2.405 253 V HA 0.177 nan 4.120 nan 0.000 0.264 253 V C -0.075 175.970 176.094 -0.083 0.000 1.048 253 V CA -0.191 62.046 62.300 -0.104 0.000 0.966 253 V CB -0.826 30.962 31.823 -0.057 0.000 1.015 253 V HN 0.210 8.174 8.190 -0.377 0.000 0.477 254 N N 8.482 127.146 118.700 -0.060 0.000 2.558 254 N HA 0.181 nan 4.740 nan 0.000 0.233 254 N C 0.972 176.435 175.510 -0.080 0.000 1.038 254 N CA -1.595 51.415 53.050 -0.068 0.000 0.934 254 N CB 0.663 39.114 38.487 -0.060 0.000 1.175 254 N HN -0.104 8.257 8.380 -0.032 0.000 0.512 255 Q N 5.029 124.779 119.800 -0.084 0.000 2.268 255 Q HA -0.314 nan 4.340 nan 0.000 0.210 255 Q C 0.864 176.805 176.000 -0.099 0.000 0.988 255 Q CA 2.525 58.268 55.803 -0.100 0.000 0.883 255 Q CB -0.334 28.355 28.738 -0.082 0.000 0.911 255 Q HN 0.223 8.448 8.270 -0.075 0.000 0.430 256 R N -3.573 116.881 120.500 -0.077 0.000 2.586 256 R HA 0.196 nan 4.340 nan 0.000 0.306 256 R C -0.916 175.346 176.300 -0.063 0.000 1.079 256 R CA -0.812 55.249 56.100 -0.065 0.000 1.083 256 R CB -0.415 29.856 30.300 -0.048 0.000 1.306 256 R HN -0.580 7.800 8.270 -0.070 -0.152 0.567 257 L N 2.127 123.304 121.223 -0.077 0.000 2.259 257 L HA 0.220 nan 4.340 nan 0.000 0.288 257 L C -1.835 174.984 176.870 -0.084 0.000 1.051 257 L CA -0.197 54.598 54.840 -0.074 0.000 0.824 257 L CB 0.584 42.601 42.059 -0.071 0.000 1.206 257 L HN -0.138 7.964 8.230 -0.091 0.074 0.429 258 V N 4.358 124.231 119.914 -0.068 0.000 2.735 258 V HA 0.268 nan 4.120 nan 0.000 0.310 258 V C -1.062 174.997 176.094 -0.058 0.000 1.061 258 V CA -1.203 61.062 62.300 -0.059 0.000 0.913 258 V CB 2.699 34.506 31.823 -0.027 0.000 1.005 258 V HN 0.145 8.302 8.190 -0.055 0.000 0.428 259 R N 3.280 123.740 120.500 -0.067 0.000 2.541 259 R HA 0.212 nan 4.340 nan 0.000 0.263 259 R C 0.693 177.020 176.300 0.045 0.000 1.112 259 R CA -1.222 54.846 56.100 -0.053 0.000 1.170 259 R CB 0.879 31.051 30.300 -0.214 0.000 1.167 259 R HN 0.179 8.414 8.270 -0.058 0.000 0.582 260 G N -0.659 108.178 108.800 0.062 0.000 3.026 260 G HA2 -0.026 nan 3.960 nan 0.000 0.208 260 G HA3 -0.026 nan 3.960 nan 0.000 0.208 260 G C -1.004 173.906 174.900 0.015 0.000 1.169 260 G CA 0.093 45.219 45.100 0.044 0.000 0.788 260 G HN 0.266 8.593 8.290 0.063 0.000 0.533 261 L N -1.218 120.012 121.223 0.011 0.000 2.342 261 L HA 0.260 nan 4.340 nan 0.000 0.271 261 L C -0.346 176.365 176.870 -0.265 0.000 1.008 261 L CA -1.813 52.853 54.840 -0.290 0.000 0.818 261 L CB 0.998 42.539 42.059 -0.862 0.000 1.296 261 L HN -0.855 7.411 8.230 0.179 0.071 0.427 262 D N 3.366 123.603 120.400 -0.272 0.000 2.355 262 D HA -0.087 nan 4.640 nan 0.000 0.218 262 D C 0.633 176.922 176.300 -0.018 0.000 1.004 262 D CA 2.509 56.454 54.000 -0.092 0.000 0.880 262 D CB 0.210 40.992 40.800 -0.030 0.000 0.911 262 D HN 0.366 8.558 8.370 -0.296 0.000 0.528 263 Y N -4.905 115.333 120.300 -0.102 0.000 2.517 263 Y HA 0.030 nan 4.550 nan 0.000 0.281 263 Y C -0.279 175.604 175.900 -0.028 0.000 1.125 263 Y CA -2.252 55.788 58.100 -0.101 0.000 1.283 263 Y CB -1.005 37.341 38.460 -0.190 0.000 1.042 263 Y HN -0.520 7.271 8.280 -0.718 0.058 0.547 264 Y N -0.239 120.347 120.300 0.476 0.000 2.511 264 Y HA -0.306 nan 4.550 nan 0.000 0.347 264 Y C -0.069 175.962 175.900 0.219 0.000 1.257 264 Y CA 1.394 59.715 58.100 0.370 0.000 1.469 264 Y CB 0.351 38.951 38.460 0.234 0.000 1.353 264 Y HN -0.775 7.487 8.280 -0.030 0.000 0.617 265 N N -0.027 118.891 118.700 0.364 0.000 3.225 265 N HA -0.002 nan 4.740 nan 0.000 0.250 265 N C -0.506 175.061 175.510 0.096 0.000 0.980 265 N CA 0.363 53.521 53.050 0.181 0.000 1.117 265 N CB 1.284 39.850 38.487 0.131 0.000 1.488 265 N HN -0.415 8.230 8.380 0.441 0.000 0.833 266 R N 1.133 121.672 120.500 0.066 0.000 1.906 266 R HA 0.116 nan 4.340 nan 0.000 0.186 266 R C 0.135 176.485 176.300 0.083 0.000 1.615 266 R CA 1.757 57.855 56.100 -0.003 0.000 1.265 266 R CB 0.474 30.673 30.300 -0.168 0.000 0.976 266 R HN -0.087 8.236 8.270 0.087 0.000 0.487 267 T N 2.344 117.010 114.554 0.187 0.000 2.934 267 T HA 0.051 nan 4.350 nan 0.000 0.306 267 T C -1.140 173.728 174.700 0.281 0.000 1.042 267 T CA 2.709 65.010 62.100 0.334 0.000 1.145 267 T CB -0.045 69.070 68.868 0.412 0.000 0.982 267 T HN -0.139 8.184 8.240 0.138 0.000 0.544 268 V N 6.206 126.277 119.914 0.262 0.000 2.711 268 V HA 0.832 nan 4.120 nan 0.000 0.304 268 V C -2.380 173.836 176.094 0.203 0.000 1.097 268 V CA -0.315 62.029 62.300 0.074 0.000 0.906 268 V CB 3.168 34.942 31.823 -0.081 0.000 1.015 268 V HN 0.895 9.288 8.190 0.338 0.000 0.427 269 F N 3.091 123.047 119.950 0.010 0.000 2.713 269 F HA 0.981 nan 4.527 nan 0.000 0.311 269 F C -3.316 172.488 175.800 0.007 0.000 1.141 269 F CA -1.743 56.265 58.000 0.013 0.000 0.939 269 F CB 3.591 42.620 39.000 0.049 0.000 1.325 269 F HN 0.860 8.932 8.300 -0.380 0.000 0.453 270 E N -4.175 116.022 120.200 -0.005 0.000 2.407 270 E HA 0.593 nan 4.350 nan 0.000 0.279 270 E C -2.383 174.214 176.600 -0.005 0.000 1.012 270 E CA -1.137 55.249 56.400 -0.024 0.000 0.800 270 E CB 3.749 33.411 29.700 -0.063 0.000 1.276 270 E HN 0.621 9.032 8.360 0.085 0.000 0.452 271 W N 0.059 121.431 121.300 0.119 0.000 2.361 271 W HA 0.446 nan 4.660 nan 0.000 0.314 271 W C -1.017 175.477 176.519 -0.042 0.000 1.041 271 W CA -0.804 56.587 57.345 0.077 0.000 1.241 271 W CB 1.694 31.243 29.460 0.149 0.000 1.279 271 W HN 0.963 9.242 8.180 0.354 0.112 0.436 272 V N -0.240 119.723 119.914 0.082 0.000 2.680 272 V HA 0.873 nan 4.120 nan 0.000 0.309 272 V C -2.088 174.000 176.094 -0.011 0.000 1.052 272 V CA -3.439 58.871 62.300 0.016 0.000 0.908 272 V CB 2.875 34.691 31.823 -0.011 0.000 1.001 272 V HN 0.751 8.956 8.190 0.025 0.000 0.431 273 T N 3.646 118.182 114.554 -0.030 0.000 2.788 273 T HA 0.454 nan 4.350 nan 0.000 0.296 273 T C 0.138 174.831 174.700 -0.011 0.000 1.009 273 T CA -1.481 60.602 62.100 -0.028 0.000 0.949 273 T CB 0.558 69.389 68.868 -0.062 0.000 0.946 273 T HN 0.826 8.936 8.240 -0.030 0.112 0.453 274 N N 9.785 128.485 118.700 0.001 0.000 2.441 274 N HA 0.063 nan 4.740 nan 0.000 0.225 274 N C -0.434 175.089 175.510 0.021 0.000 1.208 274 N CA 1.056 54.107 53.050 0.002 0.000 0.847 274 N CB -0.041 38.443 38.487 -0.006 0.000 1.121 274 N HN 0.683 9.064 8.380 0.001 0.000 0.479 275 S N -0.713 115.003 115.700 0.026 0.000 2.603 275 S HA 0.029 nan 4.470 nan 0.000 0.232 275 S C 0.033 174.627 174.600 -0.010 0.000 1.016 275 S CA -0.529 57.690 58.200 0.031 0.000 0.976 275 S CB 0.840 64.079 63.200 0.066 0.000 0.921 275 S HN -0.515 7.640 8.310 0.011 0.161 0.516 276 L N 0.788 122.003 121.223 -0.013 0.000 3.742 276 L HA -0.301 nan 4.340 nan 0.000 0.431 276 L C 0.182 177.036 176.870 -0.026 0.000 1.220 276 L CA 0.552 55.381 54.840 -0.018 0.000 0.863 276 L CB -1.344 40.708 42.059 -0.011 0.000 1.751 276 L HN -0.396 7.757 8.230 -0.009 0.071 0.922 277 G N -0.543 108.230 108.800 -0.045 0.000 2.434 277 G HA2 -0.266 nan 3.960 nan 0.000 0.214 277 G HA3 -0.266 nan 3.960 nan 0.000 0.214 277 G C -0.609 174.273 174.900 -0.029 0.000 1.202 277 G CA 1.274 46.336 45.100 -0.062 0.000 0.788 277 G HN 0.337 8.583 8.290 -0.049 0.015 0.539 278 S N -0.247 115.438 115.700 -0.024 0.000 3.530 278 S HA 0.139 nan 4.470 nan 0.000 0.180 278 S C -0.284 174.321 174.600 0.008 0.000 0.889 278 S CA 0.363 58.571 58.200 0.012 0.000 1.478 278 S CB 0.548 nan 63.200 nan 0.000 0.612 278 S HN -0.448 7.837 8.310 -0.041 0.000 0.615 279 Q N -0.718 119.081 119.800 -0.001 0.000 2.352 279 Q HA 0.108 nan 4.340 nan 0.000 0.212 279 Q C 0.128 176.118 176.000 -0.016 0.000 0.888 279 Q CA 0.351 56.146 55.803 -0.014 0.000 0.934 279 Q CB 1.831 30.555 28.738 -0.024 0.000 1.093 279 Q HN 0.302 8.572 8.270 0.000 0.000 0.523 280 G N -2.209 106.582 108.800 -0.015 0.000 3.709 280 G HA2 -0.226 nan 3.960 nan 0.000 0.196 280 G HA3 -0.226 nan 3.960 nan 0.000 0.196 280 G C -1.971 172.921 174.900 -0.012 0.000 1.177 280 G CA 0.193 45.283 45.100 -0.016 0.000 0.906 280 G HN -0.285 7.940 8.290 -0.013 0.057 0.416 281 T N 1.223 115.776 114.554 -0.003 0.000 2.744 281 T HA 0.477 nan 4.350 nan 0.000 0.291 281 T C 0.277 174.996 174.700 0.031 0.000 0.957 281 T CA -0.712 61.400 62.100 0.020 0.000 1.002 281 T CB 0.488 69.366 68.868 0.017 0.000 0.919 281 T HN -0.594 7.641 8.240 -0.007 0.000 0.468 282 V N 6.276 126.218 119.914 0.047 0.000 2.672 282 V HA 0.309 nan 4.120 nan 0.000 0.242 282 V C -1.290 174.903 176.094 0.164 0.000 1.059 282 V CA 1.927 64.252 62.300 0.043 0.000 1.081 282 V CB 1.138 32.908 31.823 -0.088 0.000 0.752 282 V HN 0.689 8.917 8.190 0.064 0.000 0.472 283 C N -1.951 117.500 119.300 0.252 0.000 2.698 283 C HA 0.841 nan 4.460 nan 0.000 0.309 283 C C -2.601 172.553 174.990 0.274 0.000 1.186 283 C CA -2.022 57.212 59.018 0.360 0.000 1.474 283 C CB 2.334 30.390 27.740 0.526 0.000 2.020 283 C HN -0.551 7.824 8.230 0.242 0.000 0.474 284 A N 5.239 128.167 122.820 0.180 0.000 2.594 284 A HA 0.966 nan 4.320 nan 0.000 0.295 284 A C -2.718 174.792 177.584 -0.124 0.000 1.071 284 A CA -1.011 50.980 52.037 -0.077 0.000 0.685 284 A CB 3.383 22.366 19.000 -0.029 0.000 1.285 284 A HN 0.618 8.939 8.150 0.284 0.000 0.405 285 G N -2.496 105.978 108.800 -0.543 0.000 2.321 285 G HA2 0.576 nan 3.960 nan 0.000 0.296 285 G HA3 0.576 nan 3.960 nan 0.000 0.296 285 G C -2.849 171.796 174.900 -0.425 0.000 1.287 285 G CA 0.836 45.807 45.100 -0.215 0.000 0.846 285 G HN 0.377 8.149 8.290 -0.863 0.000 0.508 286 G N -3.559 105.376 108.800 0.225 0.000 2.340 286 G HA2 0.443 nan 3.960 nan 0.000 0.299 286 G HA3 0.443 nan 3.960 nan 0.000 0.299 286 G C -2.574 172.735 174.900 0.681 0.000 1.291 286 G CA 0.410 45.709 45.100 0.331 0.000 0.841 286 G HN -0.462 8.173 8.290 0.575 0.000 0.500 287 R N 0.702 121.538 120.500 0.560 0.000 2.571 287 R HA 0.539 nan 4.340 nan 0.000 0.259 287 R C -0.741 175.902 176.300 0.571 0.000 1.226 287 R CA -0.631 55.716 56.100 0.411 0.000 1.157 287 R CB 1.976 32.412 30.300 0.226 0.000 1.220 287 R HN 0.506 8.948 8.270 0.446 0.096 0.605 288 Y N -5.378 115.017 120.300 0.158 0.000 3.227 288 Y HA 0.130 nan 4.550 nan 0.000 0.207 288 Y C -1.429 174.501 175.900 0.050 0.000 0.742 288 Y CA -1.386 56.763 58.100 0.083 0.000 1.128 288 Y CB -1.509 36.885 38.460 -0.111 0.000 1.145 288 Y HN -0.138 8.069 8.280 -0.056 0.040 0.539 289 D N 4.179 124.592 120.400 0.023 0.000 2.149 289 D HA -0.304 nan 4.640 nan 0.000 0.198 289 D C 1.367 177.706 176.300 0.065 0.000 0.990 289 D CA 4.131 58.130 54.000 -0.002 0.000 0.839 289 D CB -0.269 40.540 40.800 0.014 0.000 0.948 289 D HN -0.212 8.473 8.370 0.067 -0.274 0.460 290 G N -2.871 105.993 108.800 0.107 0.000 2.511 290 G HA2 -0.109 nan 3.960 nan 0.000 0.217 290 G HA3 -0.109 nan 3.960 nan 0.000 0.217 290 G C 0.953 175.928 174.900 0.125 0.000 1.133 290 G CA 0.710 45.874 45.100 0.106 0.000 0.792 290 G HN 0.167 8.513 8.290 0.123 0.018 0.539 291 L N 1.611 122.943 121.223 0.182 0.000 2.189 291 L HA -0.324 nan 4.340 nan 0.000 0.214 291 L C 1.572 178.520 176.870 0.130 0.000 1.097 291 L CA 2.811 57.751 54.840 0.166 0.000 0.764 291 L CB -0.031 42.136 42.059 0.180 0.000 0.900 291 L HN -0.630 7.739 8.230 0.232 0.000 0.436 292 V N -5.712 114.292 119.914 0.149 0.000 2.358 292 V HA -0.416 nan 4.120 nan 0.000 0.246 292 V C 1.659 177.777 176.094 0.040 0.000 1.047 292 V CA 3.454 65.811 62.300 0.095 0.000 1.035 292 V CB -1.099 30.788 31.823 0.107 0.000 0.658 292 V HN -0.384 7.880 8.190 0.177 0.032 0.452 293 E N 0.719 120.945 120.200 0.044 0.000 2.028 293 E HA -0.417 nan 4.350 nan 0.000 0.191 293 E C 2.299 178.907 176.600 0.012 0.000 0.988 293 E CA 3.121 59.532 56.400 0.018 0.000 0.799 293 E CB -0.345 29.371 29.700 0.026 0.000 0.755 293 E HN -0.448 7.952 8.360 0.067 0.000 0.447 294 Q N 0.580 120.399 119.800 0.032 0.000 2.062 294 Q HA -0.313 nan 4.340 nan 0.000 0.209 294 Q C 2.468 178.473 176.000 0.008 0.000 0.996 294 Q CA 3.064 58.883 55.803 0.027 0.000 0.859 294 Q CB -0.029 28.739 28.738 0.050 0.000 0.920 294 Q HN -0.310 7.990 8.270 0.050 0.000 0.415 295 L N -5.015 116.211 121.223 0.005 0.000 2.633 295 L HA -0.237 nan 4.340 nan 0.000 0.235 295 L C 0.465 177.312 176.870 -0.038 0.000 1.163 295 L CA 0.554 55.381 54.840 -0.022 0.000 0.859 295 L CB -0.471 41.569 42.059 -0.031 0.000 0.973 295 L HN -0.372 7.871 8.230 0.022 0.000 0.451 296 G N -2.922 105.859 108.800 -0.032 0.000 2.138 296 G HA2 -0.205 nan 3.960 nan 0.000 0.193 296 G HA3 -0.205 nan 3.960 nan 0.000 0.193 296 G C -0.305 174.559 174.900 -0.060 0.000 0.998 296 G CA -0.245 44.828 45.100 -0.045 0.000 0.668 296 G HN -0.172 7.861 8.290 -0.019 0.246 0.516 297 G N -0.902 107.865 108.800 -0.056 0.000 2.932 297 G HA2 0.267 nan 3.960 nan 0.000 0.283 297 G HA3 0.267 nan 3.960 nan 0.000 0.283 297 G C -1.816 173.036 174.900 -0.081 0.000 1.336 297 G CA -1.294 43.759 45.100 -0.079 0.000 1.056 297 G HN -0.097 8.171 8.290 -0.036 0.000 0.522 298 R N -0.828 119.600 120.500 -0.121 0.000 2.531 298 R HA 0.008 nan 4.340 nan 0.000 0.273 298 R C -0.679 175.621 176.300 -0.001 0.000 1.070 298 R CA -0.286 55.752 56.100 -0.104 0.000 1.112 298 R CB 1.026 31.180 30.300 -0.243 0.000 1.049 298 R HN 0.213 8.390 8.270 -0.155 0.000 0.508 299 A N 1.182 124.015 122.820 0.022 0.000 2.520 299 A HA 0.031 nan 4.320 nan 0.000 0.245 299 A C -1.140 176.494 177.584 0.084 0.000 1.072 299 A CA 0.396 52.465 52.037 0.053 0.000 0.761 299 A CB 0.685 19.713 19.000 0.047 0.000 1.004 299 A HN 0.078 8.231 8.150 0.005 0.000 0.499 300 T N 4.617 119.226 114.554 0.092 0.000 2.889 300 T HA 0.352 nan 4.350 nan 0.000 0.315 300 T C -3.027 171.725 174.700 0.087 0.000 1.291 300 T CA -2.106 60.058 62.100 0.106 0.000 1.028 300 T CB 2.471 71.422 68.868 0.138 0.000 1.235 300 T HN 0.072 8.364 8.240 0.087 0.000 0.491 301 P HA 0.394 nan 4.420 nan 0.000 0.278 301 P C -2.299 174.942 177.300 -0.099 0.000 1.258 301 P CA -0.971 62.124 63.100 -0.008 0.000 0.811 301 P CB 1.219 32.925 31.700 0.010 0.000 1.063 302 A N -1.836 120.782 122.820 -0.336 0.000 2.604 302 A HA 0.852 nan 4.320 nan 0.000 0.295 302 A C -2.438 174.642 177.584 -0.840 0.000 1.067 302 A CA -0.432 51.146 52.037 -0.764 0.000 0.683 302 A CB 3.416 21.698 19.000 -1.197 0.000 1.281 302 A HN 0.268 8.541 8.150 -0.294 -0.300 0.407 303 V N -2.457 117.071 119.914 -0.643 0.000 3.077 303 V HA 0.657 nan 4.120 nan 0.000 0.299 303 V C -1.752 174.409 176.094 0.113 0.000 1.276 303 V CA -0.689 61.544 62.300 -0.112 0.000 0.993 303 V CB 4.040 35.892 31.823 0.049 0.000 1.076 303 V HN -0.006 7.766 8.190 -0.697 0.000 0.434 304 G N 1.368 110.412 108.800 0.406 0.000 2.490 304 G HA2 0.869 nan 3.960 nan 0.000 0.308 304 G HA3 0.869 nan 3.960 nan 0.000 0.308 304 G C -3.351 171.869 174.900 0.535 0.000 1.286 304 G CA 0.577 45.870 45.100 0.323 0.000 0.825 304 G HN -0.107 8.506 8.290 0.539 0.000 0.479 305 F N -6.182 113.978 119.950 0.349 0.000 2.746 305 F HA 0.680 nan 4.527 nan 0.000 0.311 305 F C -3.334 172.647 175.800 0.302 0.000 1.135 305 F CA -1.223 56.967 58.000 0.318 0.000 0.954 305 F CB 1.882 41.140 39.000 0.430 0.000 1.276 305 F HN 0.018 8.266 8.300 -0.087 0.000 0.440 306 A N -0.719 122.454 122.820 0.589 0.000 2.435 306 A HA 1.015 nan 4.320 nan 0.000 0.304 306 A C -2.982 174.924 177.584 0.535 0.000 1.064 306 A CA -1.278 51.063 52.037 0.507 0.000 0.727 306 A CB 3.471 22.742 19.000 0.452 0.000 1.284 306 A HN 0.660 9.145 8.150 0.557 0.000 0.415 307 M N 1.030 120.923 119.600 0.488 0.000 2.518 307 M HA 0.782 nan 4.480 nan 0.000 0.300 307 M C -1.361 175.116 176.300 0.296 0.000 1.175 307 M CA -1.530 54.006 55.300 0.394 0.000 0.890 307 M CB 4.637 37.504 32.600 0.445 0.000 1.710 307 M HN 0.705 9.273 8.290 0.463 0.000 0.453 308 G N 2.416 111.344 108.800 0.212 0.000 2.448 308 G HA2 0.338 nan 3.960 nan 0.000 0.309 308 G HA3 0.338 nan 3.960 nan 0.000 0.309 308 G C -0.737 174.242 174.900 0.132 0.000 1.027 308 G CA -0.505 44.705 45.100 0.183 0.000 1.104 308 G HN 0.865 9.269 8.290 0.190 0.000 0.428 309 L N 5.747 127.081 121.223 0.185 0.000 2.129 309 L HA -0.545 nan 4.340 nan 0.000 0.212 309 L C 1.724 178.521 176.870 -0.122 0.000 1.087 309 L CA 3.672 58.548 54.840 0.060 0.000 0.757 309 L CB -0.098 42.121 42.059 0.267 0.000 0.896 309 L HN 0.058 8.462 8.230 0.290 0.000 0.434 310 E N -2.086 118.185 120.200 0.119 0.000 2.107 310 E HA -0.277 nan 4.350 nan 0.000 0.191 310 E C 2.598 179.174 176.600 -0.039 0.000 0.982 310 E CA 3.581 60.022 56.400 0.069 0.000 0.809 310 E CB -0.852 28.939 29.700 0.151 0.000 0.756 310 E HN 0.317 8.811 8.360 0.255 0.019 0.459 311 R N -0.290 120.218 120.500 0.012 0.000 2.062 311 R HA -0.285 nan 4.340 nan 0.000 0.231 311 R C 2.320 178.548 176.300 -0.119 0.000 1.136 311 R CA 2.718 58.808 56.100 -0.016 0.000 0.948 311 R CB -0.403 29.901 30.300 0.007 0.000 0.845 311 R HN -0.708 7.519 8.270 0.064 0.081 0.430 312 L N 0.281 121.414 121.223 -0.150 0.000 1.956 312 L HA -0.370 nan 4.340 nan 0.000 0.216 312 L C 1.783 178.456 176.870 -0.328 0.000 1.073 312 L CA 3.547 58.256 54.840 -0.219 0.000 0.762 312 L CB -0.404 41.531 42.059 -0.206 0.000 0.889 312 L HN 0.178 8.351 8.230 -0.096 0.000 0.433 313 V N -1.572 118.046 119.914 -0.492 0.000 2.370 313 V HA -0.501 nan 4.120 nan 0.000 0.252 313 V C 2.374 178.221 176.094 -0.412 0.000 1.068 313 V CA 4.015 65.927 62.300 -0.647 0.000 1.061 313 V CB -1.234 29.818 31.823 -1.286 0.000 0.656 313 V HN 0.313 8.071 8.190 -0.534 0.112 0.455 314 L N -1.473 119.585 121.223 -0.276 0.000 2.027 314 L HA -0.259 nan 4.340 nan 0.000 0.206 314 L C 2.023 178.782 176.870 -0.184 0.000 1.074 314 L CA 3.147 57.889 54.840 -0.163 0.000 0.745 314 L CB -0.689 41.332 42.059 -0.063 0.000 0.898 314 L HN -0.357 7.513 8.230 -0.262 0.203 0.433 315 L N -0.909 120.192 121.223 -0.202 0.000 1.989 315 L HA -0.414 nan 4.340 nan 0.000 0.211 315 L C 1.927 178.631 176.870 -0.277 0.000 1.071 315 L CA 3.370 58.077 54.840 -0.223 0.000 0.749 315 L CB -0.972 40.951 42.059 -0.226 0.000 0.890 315 L HN 0.252 8.183 8.230 -0.199 0.179 0.431 316 V N -0.855 118.862 119.914 -0.329 0.000 2.231 316 V HA -0.646 nan 4.120 nan 0.000 0.248 316 V C 2.121 177.978 176.094 -0.395 0.000 1.054 316 V CA 4.861 66.899 62.300 -0.437 0.000 1.015 316 V CB -0.750 30.736 31.823 -0.562 0.000 0.638 316 V HN 0.232 8.228 8.190 -0.323 0.000 0.444 317 Q N -2.155 117.460 119.800 -0.309 0.000 2.364 317 Q HA -0.334 nan 4.340 nan 0.000 0.209 317 Q C 1.579 177.493 176.000 -0.143 0.000 0.977 317 Q CA 2.566 58.254 55.803 -0.192 0.000 0.885 317 Q CB -0.313 28.341 28.738 -0.139 0.000 0.941 317 Q HN -0.099 7.981 8.270 -0.317 0.000 0.464 318 A N -1.654 121.062 122.820 -0.173 0.000 1.920 318 A HA -0.024 nan 4.320 nan 0.000 0.209 318 A C 1.238 178.712 177.584 -0.183 0.000 1.229 318 A CA 1.933 53.881 52.037 -0.148 0.000 0.671 318 A CB 0.810 19.721 19.000 -0.148 0.000 0.886 318 A HN -0.291 7.543 8.150 -0.212 0.189 0.461 319 V N -2.707 117.046 119.914 -0.269 0.000 2.871 319 V HA -0.150 nan 4.120 nan 0.000 0.256 319 V C 0.877 176.861 176.094 -0.184 0.000 1.082 319 V CA 2.472 64.575 62.300 -0.329 0.000 1.105 319 V CB 0.218 31.728 31.823 -0.522 0.000 0.713 319 V HN 0.166 8.185 8.190 -0.286 0.000 0.473 320 N N -1.512 117.088 118.700 -0.167 0.000 2.660 320 N HA 0.386 nan 4.740 nan 0.000 0.316 320 N C -1.484 174.031 175.510 0.007 0.000 1.774 320 N CA -1.050 51.964 53.050 -0.059 0.000 0.946 320 N CB 0.659 39.072 38.487 -0.123 0.000 1.322 320 N HN -0.104 8.114 8.380 -0.217 0.032 0.492 321 P HA -0.253 nan 4.420 nan 0.000 0.227 321 P C -0.441 176.884 177.300 0.041 0.000 1.154 321 P CA 1.875 64.977 63.100 0.002 0.000 0.879 321 P CB 0.247 31.947 31.700 -0.001 0.000 0.779 322 E N -1.008 119.236 120.200 0.074 0.000 2.186 322 E HA 0.181 nan 4.350 nan 0.000 0.255 322 E C -1.899 174.804 176.600 0.171 0.000 0.881 322 E CA -0.627 55.825 56.400 0.086 0.000 0.752 322 E CB 0.413 30.143 29.700 0.051 0.000 1.176 322 E HN 0.081 8.429 8.360 0.077 0.058 0.421 323 F N 2.910 122.844 119.950 -0.026 0.000 2.988 323 F HA -0.016 nan 4.527 nan 0.000 0.333 323 F C -1.443 174.341 175.800 -0.026 0.000 1.243 323 F CA 0.115 58.096 58.000 -0.031 0.000 1.041 323 F CB 1.683 40.653 39.000 -0.049 0.000 1.354 323 F HN 0.249 8.654 8.300 0.175 0.000 0.505 324 K N 1.584 122.011 120.400 0.045 0.000 2.578 324 K HA -0.294 nan 4.320 nan 0.000 0.279 324 K C -1.627 174.933 176.600 -0.066 0.000 0.983 324 K CA 0.684 56.979 56.287 0.013 0.000 1.078 324 K CB 0.743 33.245 32.500 0.004 0.000 0.852 324 K HN -0.516 7.768 8.250 0.056 0.000 0.490 325 A N 3.205 126.015 122.820 -0.015 0.000 2.247 325 A HA 0.106 nan 4.320 nan 0.000 0.313 325 A C -0.966 176.607 177.584 -0.018 0.000 1.109 325 A CA -0.992 51.023 52.037 -0.037 0.000 0.890 325 A CB 1.083 20.093 19.000 0.015 0.000 1.239 325 A HN 0.146 8.315 8.150 0.032 0.000 0.506 326 D N -1.128 119.263 120.400 -0.015 0.000 2.405 326 D HA -0.140 nan 4.640 nan 0.000 0.232 326 D C -1.906 174.408 176.300 0.025 0.000 1.240 326 D CA -0.334 53.666 54.000 0.001 0.000 0.881 326 D CB -0.784 40.020 40.800 0.007 0.000 1.222 326 D HN 0.104 8.461 8.370 -0.022 0.000 0.482 327 P HA 0.236 nan 4.420 nan 0.000 0.278 327 P C -0.436 176.906 177.300 0.070 0.000 1.266 327 P CA -0.811 62.322 63.100 0.056 0.000 0.807 327 P CB 1.335 33.068 31.700 0.055 0.000 1.094 328 V N -4.856 115.122 119.914 0.106 0.000 2.725 328 V HA 0.114 nan 4.120 nan 0.000 0.247 328 V C 0.270 176.409 176.094 0.075 0.000 1.058 328 V CA 0.903 63.271 62.300 0.113 0.000 1.080 328 V CB -0.023 31.915 31.823 0.192 0.000 0.713 328 V HN 0.243 8.509 8.190 0.126 0.000 0.465 329 V N -0.585 119.387 119.914 0.096 0.000 2.569 329 V HA 0.183 nan 4.120 nan 0.000 0.301 329 V C -1.226 174.915 176.094 0.078 0.000 1.044 329 V CA -0.591 61.739 62.300 0.049 0.000 0.874 329 V CB 1.959 33.781 31.823 -0.001 0.000 1.002 329 V HN -0.786 7.489 8.190 0.141 0.000 0.424 330 D N 4.977 125.410 120.400 0.055 0.000 2.146 330 D HA 0.128 nan 4.640 nan 0.000 0.209 330 D C -0.062 176.283 176.300 0.075 0.000 0.973 330 D CA 2.861 56.895 54.000 0.056 0.000 0.860 330 D CB 1.763 42.584 40.800 0.036 0.000 1.015 330 D HN 0.522 8.790 8.370 0.034 0.123 0.465 331 I N -3.341 117.272 120.570 0.072 0.000 2.509 331 I HA 0.366 nan 4.170 nan 0.000 0.293 331 I C -2.298 173.896 176.117 0.129 0.000 1.020 331 I CA -0.548 60.805 61.300 0.088 0.000 1.088 331 I CB 3.233 41.260 38.000 0.045 0.000 1.267 331 I HN -0.059 8.075 8.210 0.052 0.107 0.430 332 Y N 6.929 127.248 120.300 0.033 0.000 2.328 332 Y HA 0.381 nan 4.550 nan 0.000 0.333 332 Y C -1.903 174.033 175.900 0.060 0.000 0.958 332 Y CA -2.571 55.550 58.100 0.034 0.000 1.167 332 Y CB 1.808 40.335 38.460 0.111 0.000 1.151 332 Y HN -0.006 8.404 8.280 0.217 0.000 0.470 333 L N 9.729 130.694 121.223 -0.431 0.000 2.462 333 L HA 0.113 nan 4.340 nan 0.000 0.283 333 L C -1.254 175.335 176.870 -0.469 0.000 1.166 333 L CA -0.495 54.137 54.840 -0.346 0.000 0.964 333 L CB -0.177 41.748 42.059 -0.223 0.000 1.294 333 L HN 0.369 8.271 8.230 -0.369 0.106 0.449 334 V N 6.540 126.297 119.914 -0.260 0.000 2.637 334 V HA 0.067 nan 4.120 nan 0.000 0.296 334 V C -1.141 174.933 176.094 -0.035 0.000 1.046 334 V CA 0.498 62.742 62.300 -0.093 0.000 1.066 334 V CB -0.104 31.864 31.823 0.242 0.000 0.968 334 V HN -0.178 7.935 8.190 -0.129 0.000 0.483 335 A N 7.617 130.392 122.820 -0.075 0.000 2.512 335 A HA 0.479 nan 4.320 nan 0.000 0.294 335 A C -2.338 175.157 177.584 -0.148 0.000 1.054 335 A CA -0.012 51.981 52.037 -0.073 0.000 0.756 335 A CB 1.995 20.925 19.000 -0.116 0.000 1.293 335 A HN 0.034 8.286 8.150 -0.119 -0.173 0.395 336 S N 2.898 118.508 115.700 -0.149 0.000 2.625 336 S HA 0.392 nan 4.470 nan 0.000 0.271 336 S C -0.830 173.694 174.600 -0.126 0.000 1.161 336 S CA -1.228 56.836 58.200 -0.228 0.000 0.820 336 S CB 1.730 64.620 63.200 -0.517 0.000 1.137 336 S HN 0.349 8.628 8.310 -0.052 0.000 0.470 337 G N -1.092 107.637 108.800 -0.118 0.000 2.566 337 G HA2 -0.289 nan 3.960 nan 0.000 0.599 337 G HA3 -0.289 nan 3.960 nan 0.000 0.599 337 G C -1.534 173.341 174.900 -0.042 0.000 1.292 337 G CA -0.637 44.427 45.100 -0.061 0.000 0.922 337 G HN 0.070 8.273 8.290 -0.145 0.000 0.514 338 A N 0.181 122.986 122.820 -0.025 0.000 2.701 338 A HA -0.273 nan 4.320 nan 0.000 0.290 338 A C -0.315 177.258 177.584 -0.018 0.000 1.534 338 A CA 1.205 53.231 52.037 -0.019 0.000 1.137 338 A CB -1.366 17.627 19.000 -0.011 0.000 1.032 338 A HN -0.163 8.256 8.150 -0.018 -0.280 0.580 339 D N 0.351 120.737 120.400 -0.023 0.000 3.068 339 D HA -0.344 nan 4.640 nan 0.000 0.218 339 D C 0.751 177.036 176.300 -0.025 0.000 1.145 339 D CA 1.233 55.220 54.000 -0.021 0.000 0.896 339 D CB -0.922 39.869 40.800 -0.014 0.000 1.105 339 D HN 0.140 8.494 8.370 -0.027 0.000 0.423 340 T N 0.509 115.043 114.554 -0.034 0.000 2.555 340 T HA -0.430 nan 4.350 nan 0.000 0.264 340 T C 1.476 176.147 174.700 -0.049 0.000 1.083 340 T CA 3.918 65.995 62.100 -0.039 0.000 1.179 340 T CB -0.065 68.772 68.868 -0.051 0.000 0.863 340 T HN -0.518 7.661 8.240 -0.037 0.038 0.412 341 Q N 0.406 120.167 119.800 -0.066 0.000 2.167 341 Q HA -0.539 nan 4.340 nan 0.000 0.218 341 Q C 2.145 178.115 176.000 -0.051 0.000 1.033 341 Q CA 3.421 59.177 55.803 -0.079 0.000 0.918 341 Q CB -0.996 27.698 28.738 -0.073 0.000 1.019 341 Q HN 0.432 8.660 8.270 -0.070 0.000 0.417 342 S N -0.862 114.822 115.700 -0.026 0.000 2.382 342 S HA -0.301 nan 4.470 nan 0.000 0.228 342 S C 2.031 176.619 174.600 -0.019 0.000 1.027 342 S CA 2.422 60.614 58.200 -0.014 0.000 0.991 342 S CB -0.422 62.774 63.200 -0.006 0.000 0.823 342 S HN -0.289 8.007 8.310 -0.024 0.000 0.469 343 A N 0.120 122.925 122.820 -0.025 0.000 1.872 343 A HA -0.150 nan 4.320 nan 0.000 0.214 343 A C 1.302 178.865 177.584 -0.035 0.000 1.187 343 A CA 2.691 54.713 52.037 -0.025 0.000 0.614 343 A CB -0.781 18.206 19.000 -0.022 0.000 0.826 343 A HN 0.359 8.408 8.150 -0.026 0.085 0.442 344 A N -0.998 121.791 122.820 -0.052 0.000 1.917 344 A HA -0.385 nan 4.320 nan 0.000 0.219 344 A C 2.211 179.751 177.584 -0.074 0.000 1.182 344 A CA 3.008 55.000 52.037 -0.074 0.000 0.633 344 A CB -0.758 18.174 19.000 -0.114 0.000 0.819 344 A HN -0.408 7.536 8.150 -0.054 0.173 0.448 345 M N -2.511 117.051 119.600 -0.063 0.000 2.254 345 M HA -0.336 nan 4.480 nan 0.000 0.265 345 M C 1.571 177.859 176.300 -0.022 0.000 1.066 345 M CA 3.629 58.907 55.300 -0.037 0.000 1.123 345 M CB -0.062 32.538 32.600 -0.000 0.000 1.388 345 M HN 0.146 8.400 8.290 -0.060 0.000 0.425 346 A N -0.087 122.721 122.820 -0.021 0.000 1.877 346 A HA -0.237 nan 4.320 nan 0.000 0.216 346 A C 1.987 179.561 177.584 -0.017 0.000 1.186 346 A CA 2.954 54.982 52.037 -0.014 0.000 0.620 346 A CB -1.081 17.912 19.000 -0.013 0.000 0.822 346 A HN -0.770 7.259 8.150 -0.025 0.106 0.443 347 L N -1.231 119.978 121.223 -0.024 0.000 2.046 347 L HA -0.364 nan 4.340 nan 0.000 0.208 347 L C 1.605 178.461 176.870 -0.023 0.000 1.077 347 L CA 2.500 57.325 54.840 -0.024 0.000 0.747 347 L CB -0.827 41.214 42.059 -0.030 0.000 0.896 347 L HN -0.072 8.141 8.230 -0.029 0.000 0.432 348 A N -1.204 121.597 122.820 -0.031 0.000 1.865 348 A HA -0.406 nan 4.320 nan 0.000 0.217 348 A C 2.164 179.739 177.584 -0.015 0.000 1.191 348 A CA 3.405 55.425 52.037 -0.029 0.000 0.623 348 A CB -1.007 17.969 19.000 -0.039 0.000 0.826 348 A HN -0.139 7.986 8.150 -0.038 0.002 0.444 349 E N -2.117 118.077 120.200 -0.011 0.000 2.058 349 E HA -0.411 nan 4.350 nan 0.000 0.194 349 E C 2.563 179.161 176.600 -0.004 0.000 0.997 349 E CA 3.037 59.435 56.400 -0.004 0.000 0.801 349 E CB -0.453 29.246 29.700 -0.001 0.000 0.746 349 E HN -0.141 8.212 8.360 -0.012 0.000 0.450 350 R N -0.427 120.070 120.500 -0.005 0.000 2.080 350 R HA -0.291 nan 4.340 nan 0.000 0.236 350 R C 2.529 178.828 176.300 -0.002 0.000 1.137 350 R CA 3.184 59.282 56.100 -0.003 0.000 0.943 350 R CB -0.065 30.233 30.300 -0.005 0.000 0.846 350 R HN -0.682 7.584 8.270 -0.007 0.000 0.431 351 L N -3.511 117.709 121.223 -0.004 0.000 2.187 351 L HA -0.317 nan 4.340 nan 0.000 0.213 351 L C 2.343 179.214 176.870 0.001 0.000 1.100 351 L CA 2.706 57.545 54.840 -0.001 0.000 0.765 351 L CB -0.586 41.470 42.059 -0.006 0.000 0.904 351 L HN 0.209 8.434 8.230 -0.008 0.000 0.437 352 R N -2.345 118.155 120.500 -0.001 0.000 2.115 352 R HA -0.253 nan 4.340 nan 0.000 0.226 352 R C 1.097 177.399 176.300 0.003 0.000 1.100 352 R CA 2.880 58.980 56.100 0.001 0.000 0.980 352 R CB -0.338 29.962 30.300 -0.001 0.000 0.875 352 R HN -0.378 7.744 8.270 -0.003 0.146 0.445 353 D N -1.846 118.556 120.400 0.003 0.000 2.162 353 D HA -0.010 nan 4.640 nan 0.000 0.203 353 D C 1.269 177.572 176.300 0.006 0.000 0.967 353 D CA 2.045 56.048 54.000 0.004 0.000 0.840 353 D CB 0.027 40.829 40.800 0.004 0.000 0.972 353 D HN -0.595 7.687 8.370 0.002 0.089 0.482 354 E N -1.496 118.708 120.200 0.006 0.000 2.072 354 E HA -0.147 nan 4.350 nan 0.000 0.191 354 E C 0.352 176.958 176.600 0.010 0.000 0.985 354 E CA 2.389 58.794 56.400 0.009 0.000 0.801 354 E CB 0.780 30.487 29.700 0.011 0.000 0.750 354 E HN -0.445 7.918 8.360 0.005 0.000 0.452 355 L N -0.329 120.899 121.223 0.009 0.000 2.371 355 L HA 0.427 nan 4.340 nan 0.000 0.262 355 L C -2.140 174.734 176.870 0.007 0.000 1.054 355 L CA -2.557 52.289 54.840 0.009 0.000 0.924 355 L CB -0.057 42.009 42.059 0.012 0.000 1.295 355 L HN -0.416 7.712 8.230 0.008 0.107 0.441 356 P HA 0.155 nan 4.420 nan 0.000 0.278 356 P C 0.286 177.590 177.300 0.007 0.000 1.238 356 P CA 0.011 63.115 63.100 0.006 0.000 0.794 356 P CB 0.491 32.195 31.700 0.006 0.000 0.955 357 G N 0.531 109.335 108.800 0.007 0.000 2.234 357 G HA2 -0.327 nan 3.960 nan 0.000 0.235 357 G HA3 -0.327 nan 3.960 nan 0.000 0.235 357 G C -0.875 174.030 174.900 0.008 0.000 0.997 357 G CA -0.216 44.888 45.100 0.007 0.000 0.623 357 G HN 0.441 8.735 8.290 0.007 0.000 0.514 358 V N -2.900 117.019 119.914 0.008 0.000 2.743 358 V HA 0.282 nan 4.120 nan 0.000 0.301 358 V C -0.641 175.458 176.094 0.008 0.000 1.057 358 V CA -2.127 60.178 62.300 0.010 0.000 1.006 358 V CB 0.447 32.277 31.823 0.012 0.000 1.024 358 V HN -0.728 7.389 8.190 0.007 0.077 0.473 359 K N 3.618 124.024 120.400 0.010 0.000 2.292 359 K HA 0.313 nan 4.320 nan 0.000 0.270 359 K C -1.682 174.919 176.600 0.002 0.000 1.062 359 K CA -1.206 55.083 56.287 0.002 0.000 0.916 359 K CB 0.433 32.936 32.500 0.006 0.000 1.166 359 K HN 0.253 8.843 8.250 0.015 -0.331 0.458 360 L N 4.483 125.702 121.223 -0.008 0.000 2.356 360 L HA 0.669 nan 4.340 nan 0.000 0.277 360 L C -1.899 174.956 176.870 -0.025 0.000 0.996 360 L CA -1.465 53.372 54.840 -0.005 0.000 0.822 360 L CB 2.854 44.909 42.059 -0.006 0.000 1.256 360 L HN 0.454 8.677 8.230 -0.013 0.000 0.413 361 M N 7.626 127.220 119.600 -0.010 0.000 2.114 361 M HA 0.428 nan 4.480 nan 0.000 0.332 361 M C -1.734 174.558 176.300 -0.013 0.000 1.014 361 M CA -1.077 54.211 55.300 -0.022 0.000 0.956 361 M CB 3.302 35.818 32.600 -0.139 0.000 1.551 361 M HN 0.811 9.125 8.290 0.040 0.000 0.427 362 T N 8.825 123.363 114.554 -0.028 0.000 2.751 362 T HA -0.001 nan 4.350 nan 0.000 0.290 362 T C -0.227 174.404 174.700 -0.115 0.000 0.919 362 T CA -0.070 61.956 62.100 -0.122 0.000 1.136 362 T CB -1.057 67.771 68.868 -0.067 0.000 0.875 362 T HN 0.385 8.630 8.240 0.007 0.000 0.532 363 N N 7.307 125.813 118.700 -0.324 0.000 2.305 363 N HA -0.298 nan 4.740 nan 0.000 0.232 363 N C -1.344 174.080 175.510 -0.143 0.000 1.274 363 N CA 1.228 54.232 53.050 -0.078 0.000 0.870 363 N CB 0.938 39.298 38.487 -0.211 0.000 1.105 363 N HN -0.193 7.843 8.380 -0.573 0.000 0.436 364 H N 2.060 121.194 119.070 0.106 0.000 3.016 364 H HA 0.092 nan 4.556 nan 0.000 0.362 364 H C -0.450 174.912 175.328 0.056 0.000 1.233 364 H CA 0.168 56.250 56.048 0.056 0.000 1.124 364 H CB 4.049 33.842 29.762 0.053 0.000 1.850 364 H HN 0.205 8.670 8.280 0.308 0.000 0.549 365 G N 1.981 110.899 108.800 0.197 0.000 2.387 365 G HA2 -0.342 nan 3.960 nan 0.000 0.270 365 G HA3 -0.342 nan 3.960 nan 0.000 0.270 365 G C 0.134 175.066 174.900 0.053 0.000 0.957 365 G CA 0.021 45.185 45.100 0.106 0.000 1.352 365 G HN 0.335 8.771 8.290 0.243 0.000 0.457 366 G N 0.314 109.118 108.800 0.007 0.000 2.546 366 G HA2 -0.366 nan 3.960 nan 0.000 0.346 366 G HA3 -0.366 nan 3.960 nan 0.000 0.346 366 G C -1.263 173.613 174.900 -0.040 0.000 1.334 366 G CA 0.046 45.124 45.100 -0.038 0.000 0.925 366 G HN -0.087 8.205 8.290 0.003 0.000 0.537 367 G N -2.017 106.739 108.800 -0.072 0.000 3.187 367 G HA2 -0.166 nan 3.960 nan 0.000 0.682 367 G HA3 -0.166 nan 3.960 nan 0.000 0.682 367 G C -2.975 171.824 174.900 -0.169 0.000 1.266 367 G CA -0.887 44.169 45.100 -0.073 0.000 0.902 367 G HN -0.168 8.071 8.290 -0.084 0.000 0.589 368 N N -0.170 118.437 118.700 -0.156 0.000 2.444 368 N HA 0.034 nan 4.740 nan 0.000 0.255 368 N C 1.059 176.406 175.510 -0.271 0.000 1.255 368 N CA -0.701 52.208 53.050 -0.234 0.000 0.933 368 N CB 0.695 39.108 38.487 -0.123 0.000 1.143 368 N HN -0.240 8.081 8.380 -0.098 0.000 0.453 369 F N 0.246 120.033 119.950 -0.271 0.000 2.063 369 F HA -0.477 nan 4.527 nan 0.000 0.297 369 F C 1.855 177.214 175.800 -0.735 0.000 1.099 369 F CA 4.643 62.282 58.000 -0.601 0.000 1.220 369 F CB -0.180 38.468 39.000 -0.588 0.000 0.972 369 F HN 0.370 8.391 8.300 -0.465 0.000 0.487 370 K N -2.425 117.873 120.400 -0.171 0.000 2.044 370 K HA -0.470 nan 4.320 nan 0.000 0.210 370 K C 2.296 178.901 176.600 0.009 0.000 1.049 370 K CA 3.399 59.668 56.287 -0.030 0.000 0.927 370 K CB -0.522 32.003 32.500 0.041 0.000 0.713 370 K HN -0.307 8.033 8.250 -0.054 -0.123 0.443 371 K N -1.062 119.325 120.400 -0.020 0.000 1.987 371 K HA -0.384 nan 4.320 nan 0.000 0.216 371 K C 2.620 179.269 176.600 0.082 0.000 1.051 371 K CA 3.326 59.625 56.287 0.020 0.000 0.942 371 K CB -0.336 32.162 32.500 -0.003 0.000 0.722 371 K HN -0.709 7.648 8.250 -0.053 -0.139 0.444 372 Q N -1.375 118.470 119.800 0.075 0.000 2.096 372 Q HA -0.313 nan 4.340 nan 0.000 0.204 372 Q C 2.815 179.087 176.000 0.453 0.000 0.982 372 Q CA 3.184 59.154 55.803 0.277 0.000 0.850 372 Q CB -0.134 28.718 28.738 0.190 0.000 0.901 372 Q HN -0.299 7.952 8.270 -0.033 0.000 0.422 373 F N -0.778 119.326 119.950 0.256 0.000 2.095 373 F HA -0.383 nan 4.527 nan 0.000 0.298 373 F C 2.049 177.939 175.800 0.149 0.000 1.104 373 F CA 1.323 59.451 58.000 0.213 0.000 1.232 373 F CB -1.217 37.876 39.000 0.155 0.000 0.987 373 F HN 0.419 8.737 8.300 0.030 0.000 0.475 374 A N -1.302 121.691 122.820 0.287 0.000 1.877 374 A HA -0.381 nan 4.320 nan 0.000 0.216 374 A C 2.176 179.783 177.584 0.038 0.000 1.186 374 A CA 3.291 55.406 52.037 0.130 0.000 0.620 374 A CB -0.818 18.229 19.000 0.078 0.000 0.822 374 A HN 0.251 8.565 8.150 0.274 0.000 0.443 375 R N -1.584 118.942 120.500 0.042 0.000 2.091 375 R HA -0.420 nan 4.340 nan 0.000 0.238 375 R C 2.218 178.412 176.300 -0.178 0.000 1.136 375 R CA 3.246 59.278 56.100 -0.114 0.000 0.959 375 R CB -0.174 30.144 30.300 0.030 0.000 0.856 375 R HN 0.151 8.430 8.270 0.122 0.065 0.437 376 A N -0.527 122.286 122.820 -0.012 0.000 1.883 376 A HA -0.319 nan 4.320 nan 0.000 0.217 376 A C 1.971 179.637 177.584 0.136 0.000 1.186 376 A CA 3.217 55.332 52.037 0.129 0.000 0.624 376 A CB -1.067 18.243 19.000 0.516 0.000 0.822 376 A HN 0.395 8.470 8.150 0.199 0.195 0.444 377 D N -1.634 118.818 120.400 0.088 0.000 2.117 377 D HA -0.292 nan 4.640 nan 0.000 0.197 377 D C 3.062 179.344 176.300 -0.030 0.000 0.987 377 D CA 3.409 57.434 54.000 0.042 0.000 0.829 377 D CB -0.257 40.563 40.800 0.033 0.000 0.961 377 D HN -0.163 8.195 8.370 0.116 0.081 0.460 378 K N 0.874 121.180 120.400 -0.157 0.000 2.074 378 K HA -0.290 nan 4.320 nan 0.000 0.209 378 K C 1.775 178.197 176.600 -0.296 0.000 1.048 378 K CA 2.910 59.005 56.287 -0.320 0.000 0.926 378 K CB -0.048 32.105 32.500 -0.580 0.000 0.713 378 K HN -0.144 7.942 8.250 -0.156 0.071 0.444 379 W N -4.920 116.319 121.300 -0.101 0.000 2.905 379 W HA -0.014 nan 4.660 nan 0.000 0.251 379 W C -0.498 176.002 176.519 -0.031 0.000 1.305 379 W CA 0.269 57.569 57.345 -0.076 0.000 1.465 379 W CB 0.401 29.789 29.460 -0.120 0.000 1.122 379 W HN -0.578 7.495 8.180 -0.163 0.009 0.659 380 G N -4.053 104.846 108.800 0.165 0.000 2.171 380 G HA2 -0.483 nan 3.960 nan 0.000 0.238 380 G HA3 -0.483 nan 3.960 nan 0.000 0.238 380 G C -0.686 174.288 174.900 0.124 0.000 1.039 380 G CA -0.400 44.767 45.100 0.112 0.000 0.759 380 G HN -0.382 7.780 8.290 0.118 0.199 0.501 381 A N -1.985 120.931 122.820 0.161 0.000 2.477 381 A HA -0.055 nan 4.320 nan 0.000 0.246 381 A C -0.277 177.369 177.584 0.105 0.000 1.078 381 A CA 0.152 52.283 52.037 0.156 0.000 0.770 381 A CB 0.773 19.914 19.000 0.236 0.000 1.011 381 A HN -0.365 7.898 8.150 0.190 0.000 0.494 382 R N 2.902 123.448 120.500 0.078 0.000 2.075 382 R HA 0.076 nan 4.340 nan 0.000 0.220 382 R C -0.625 175.698 176.300 0.038 0.000 1.118 382 R CA 1.593 57.721 56.100 0.047 0.000 0.986 382 R CB 1.101 31.423 30.300 0.035 0.000 0.884 382 R HN 0.355 8.673 8.270 0.081 0.000 0.439 383 V N -7.262 112.683 119.914 0.051 0.000 2.960 383 V HA 0.837 nan 4.120 nan 0.000 0.315 383 V C -2.049 174.083 176.094 0.064 0.000 1.087 383 V CA -3.227 59.095 62.300 0.037 0.000 0.982 383 V CB 2.799 34.639 31.823 0.029 0.000 1.039 383 V HN -0.783 7.445 8.190 0.064 0.000 0.437 384 A N 1.276 124.120 122.820 0.041 0.000 2.359 384 A HA 0.689 nan 4.320 nan 0.000 0.303 384 A C -2.196 175.409 177.584 0.036 0.000 1.066 384 A CA -1.513 50.566 52.037 0.070 0.000 0.730 384 A CB 2.753 21.816 19.000 0.105 0.000 1.211 384 A HN 0.747 8.901 8.150 0.007 0.000 0.439 385 V N 6.525 126.451 119.914 0.021 0.000 2.284 385 V HA 0.364 nan 4.120 nan 0.000 0.260 385 V C -0.461 175.647 176.094 0.023 0.000 1.084 385 V CA -0.325 61.977 62.300 0.004 0.000 0.894 385 V CB -0.672 31.141 31.823 -0.017 0.000 1.119 385 V HN 0.015 8.211 8.190 0.010 0.000 0.484 386 V N 8.060 128.012 119.914 0.063 0.000 3.051 386 V HA 0.145 nan 4.120 nan 0.000 0.306 386 V C -0.958 175.185 176.094 0.082 0.000 1.083 386 V CA -0.361 62.015 62.300 0.127 0.000 1.104 386 V CB 1.259 33.180 31.823 0.163 0.000 1.027 386 V HN 0.441 8.659 8.190 0.046 0.000 0.483 387 L N 0.955 122.251 121.223 0.121 0.000 2.392 387 L HA 0.308 nan 4.340 nan 0.000 0.262 387 L C -0.714 176.212 176.870 0.093 0.000 1.498 387 L CA -0.295 54.587 54.840 0.070 0.000 0.820 387 L CB 1.326 43.393 42.059 0.014 0.000 0.990 387 L HN 0.141 8.496 8.230 0.207 0.000 0.520 388 G N 1.107 109.988 108.800 0.135 0.000 2.611 388 G HA2 -0.035 nan 3.960 nan 0.000 0.273 388 G HA3 -0.035 nan 3.960 nan 0.000 0.273 388 G C -0.108 174.829 174.900 0.062 0.000 1.305 388 G CA -0.743 44.440 45.100 0.138 0.000 1.010 388 G HN -0.348 8.088 8.290 0.127 -0.070 0.509 389 E N -0.951 119.279 120.200 0.049 0.000 2.106 389 E HA -0.397 nan 4.350 nan 0.000 0.192 389 E C 2.300 178.912 176.600 0.020 0.000 0.984 389 E CA 4.330 60.744 56.400 0.024 0.000 0.806 389 E CB -0.414 29.297 29.700 0.018 0.000 0.750 389 E HN 0.416 8.814 8.360 0.063 0.000 0.458 390 S N -0.433 115.284 115.700 0.028 0.000 2.351 390 S HA -0.363 nan 4.470 nan 0.000 0.220 390 S C 1.964 176.571 174.600 0.011 0.000 1.035 390 S CA 3.355 61.566 58.200 0.018 0.000 1.031 390 S CB -0.351 62.861 63.200 0.020 0.000 0.928 390 S HN -0.040 8.280 8.310 0.041 0.014 0.433 391 E N 0.109 120.318 120.200 0.014 0.000 2.219 391 E HA -0.296 nan 4.350 nan 0.000 0.198 391 E C 1.868 178.468 176.600 0.000 0.000 0.998 391 E CA 2.956 59.359 56.400 0.004 0.000 0.818 391 E CB -0.783 28.923 29.700 0.010 0.000 0.741 391 E HN 0.064 8.439 8.360 0.025 0.000 0.477 392 V N -0.781 119.136 119.914 0.004 0.000 2.283 392 V HA -0.272 nan 4.120 nan 0.000 0.243 392 V C 2.325 178.418 176.094 -0.003 0.000 1.039 392 V CA 3.939 66.238 62.300 -0.001 0.000 1.016 392 V CB -0.954 30.868 31.823 -0.001 0.000 0.650 392 V HN -0.566 7.482 8.190 0.011 0.149 0.449 393 A N 0.025 122.845 122.820 -0.000 0.000 1.972 393 A HA -0.232 nan 4.320 nan 0.000 0.219 393 A C 1.342 178.925 177.584 -0.003 0.000 1.169 393 A CA 2.932 54.968 52.037 -0.001 0.000 0.635 393 A CB -0.376 18.624 19.000 0.001 0.000 0.810 393 A HN 0.399 8.551 8.150 0.003 0.000 0.446 394 N N -4.349 114.349 118.700 -0.003 0.000 2.370 394 N HA 0.045 nan 4.740 nan 0.000 0.198 394 N C 0.377 175.882 175.510 -0.010 0.000 1.156 394 N CA -0.630 52.416 53.050 -0.006 0.000 0.839 394 N CB 0.100 38.583 38.487 -0.007 0.000 0.989 394 N HN -0.094 8.157 8.380 -0.002 0.127 0.468 395 G N 0.284 109.078 108.800 -0.010 0.000 2.233 395 G HA2 -0.358 nan 3.960 nan 0.000 0.270 395 G HA3 -0.358 nan 3.960 nan 0.000 0.270 395 G C -0.766 174.123 174.900 -0.020 0.000 1.011 395 G CA 1.328 46.420 45.100 -0.013 0.000 0.762 395 G HN -0.245 7.858 8.290 -0.008 0.183 0.511 396 T N -3.195 111.347 114.554 -0.021 0.000 2.889 396 T HA 0.857 nan 4.350 nan 0.000 0.278 396 T C -1.662 173.020 174.700 -0.030 0.000 0.995 396 T CA -2.863 59.218 62.100 -0.032 0.000 0.966 396 T CB 3.052 71.901 68.868 -0.032 0.000 1.237 396 T HN -0.408 7.774 8.240 -0.016 0.048 0.591 397 A N -1.324 121.471 122.820 -0.041 0.000 2.513 397 A HA 0.215 nan 4.320 nan 0.000 0.285 397 A C -1.840 175.718 177.584 -0.042 0.000 1.047 397 A CA 0.206 52.223 52.037 -0.033 0.000 0.864 397 A CB 2.195 21.173 19.000 -0.038 0.000 1.373 397 A HN -0.011 8.105 8.150 -0.056 0.000 0.403 398 V N 4.800 124.700 119.914 -0.024 0.000 2.585 398 V HA 0.070 nan 4.120 nan 0.000 0.296 398 V C -0.807 175.269 176.094 -0.030 0.000 1.035 398 V CA 1.168 63.449 62.300 -0.032 0.000 1.084 398 V CB 0.261 32.070 31.823 -0.024 0.000 0.953 398 V HN 0.095 8.281 8.190 -0.007 0.000 0.483 399 V N 8.687 128.574 119.914 -0.045 0.000 2.347 399 V HA 0.371 nan 4.120 nan 0.000 0.280 399 V C -1.939 174.133 176.094 -0.037 0.000 1.021 399 V CA -1.071 61.209 62.300 -0.034 0.000 0.847 399 V CB 1.277 33.080 31.823 -0.034 0.000 0.990 399 V HN 0.271 8.427 8.190 -0.057 0.000 0.444 400 K N 8.375 128.747 120.400 -0.046 0.000 2.274 400 K HA 0.448 nan 4.320 nan 0.000 0.262 400 K C -2.520 174.037 176.600 -0.073 0.000 0.961 400 K CA -1.919 54.315 56.287 -0.089 0.000 0.833 400 K CB 3.612 36.007 32.500 -0.174 0.000 1.102 400 K HN 0.913 9.144 8.250 -0.031 0.000 0.436 401 D N 6.435 126.797 120.400 -0.064 0.000 2.316 401 D HA 0.296 nan 4.640 nan 0.000 0.245 401 D C 0.982 177.242 176.300 -0.066 0.000 1.171 401 D CA -1.094 52.880 54.000 -0.042 0.000 0.856 401 D CB 0.784 41.568 40.800 -0.026 0.000 1.090 401 D HN -0.038 8.292 8.370 -0.066 0.000 0.476 402 L N 3.714 124.905 121.223 -0.054 0.000 2.362 402 L HA -0.247 nan 4.340 nan 0.000 0.219 402 L C 1.024 177.869 176.870 -0.043 0.000 1.134 402 L CA 2.260 57.062 54.840 -0.064 0.000 0.807 402 L CB -0.501 41.546 42.059 -0.021 0.000 0.927 402 L HN 0.648 8.861 8.230 -0.029 0.000 0.447 403 R N -2.913 117.571 120.500 -0.027 0.000 2.062 403 R HA -0.105 nan 4.340 nan 0.000 0.229 403 R C 1.165 177.450 176.300 -0.025 0.000 1.128 403 R CA 2.017 58.106 56.100 -0.019 0.000 0.960 403 R CB 0.119 30.412 30.300 -0.011 0.000 0.855 403 R HN -0.138 8.136 8.270 -0.023 -0.018 0.432 404 S N -4.961 110.721 115.700 -0.031 0.000 2.526 404 S HA 0.173 nan 4.470 nan 0.000 0.220 404 S C 0.529 175.103 174.600 -0.044 0.000 1.017 404 S CA -0.122 58.060 58.200 -0.030 0.000 0.930 404 S CB 1.449 64.636 63.200 -0.022 0.000 0.856 404 S HN 0.007 8.641 8.310 -0.033 -0.345 0.497 405 G N 1.157 109.917 108.800 -0.065 0.000 2.199 405 G HA2 -0.268 nan 3.960 nan 0.000 0.254 405 G HA3 -0.268 nan 3.960 nan 0.000 0.254 405 G C -0.567 174.282 174.900 -0.086 0.000 0.982 405 G CA 0.294 45.338 45.100 -0.094 0.000 0.632 405 G HN 0.147 8.397 8.290 -0.066 0.000 0.529 406 E N 2.478 122.643 120.200 -0.058 0.000 2.491 406 E HA -0.255 nan 4.350 nan 0.000 0.250 406 E C -0.900 175.669 176.600 -0.051 0.000 1.061 406 E CA 0.261 56.634 56.400 -0.044 0.000 0.942 406 E CB -1.059 28.625 29.700 -0.026 0.000 0.957 406 E HN 0.258 8.509 8.360 -0.049 0.080 0.480 407 Q N 3.104 122.871 119.800 -0.056 0.000 2.322 407 Q HA 0.578 nan 4.340 nan 0.000 0.265 407 Q C -0.685 175.292 176.000 -0.039 0.000 0.985 407 Q CA -1.544 54.225 55.803 -0.056 0.000 0.849 407 Q CB 1.657 30.349 28.738 -0.077 0.000 1.274 407 Q HN 0.080 8.318 8.270 -0.054 0.000 0.449 408 T N -0.980 113.554 114.554 -0.033 0.000 2.861 408 T HA 0.422 nan 4.350 nan 0.000 0.287 408 T C -1.168 173.504 174.700 -0.047 0.000 1.003 408 T CA -1.500 60.583 62.100 -0.028 0.000 0.977 408 T CB 2.674 71.539 68.868 -0.005 0.000 0.996 408 T HN 0.329 8.549 8.240 -0.034 0.000 0.448 409 A N 4.550 127.342 122.820 -0.046 0.000 2.440 409 A HA 0.364 nan 4.320 nan 0.000 0.251 409 A C -0.779 176.748 177.584 -0.095 0.000 1.089 409 A CA 0.167 52.169 52.037 -0.060 0.000 0.779 409 A CB 0.482 19.457 19.000 -0.042 0.000 1.022 409 A HN 0.328 8.457 8.150 -0.035 0.000 0.492 410 V N 1.726 121.559 119.914 -0.135 0.000 3.074 410 V HA 0.314 nan 4.120 nan 0.000 0.314 410 V C -1.325 174.682 176.094 -0.146 0.000 1.117 410 V CA -1.688 60.478 62.300 -0.222 0.000 1.014 410 V CB 4.332 35.898 31.823 -0.428 0.000 1.057 410 V HN -0.120 8.003 8.190 -0.111 0.000 0.438 411 A N 0.128 122.868 122.820 -0.133 0.000 2.316 411 A HA 0.410 nan 4.320 nan 0.000 0.284 411 A C 0.514 178.056 177.584 -0.071 0.000 1.115 411 A CA -0.937 51.057 52.037 -0.071 0.000 0.812 411 A CB 1.160 20.138 19.000 -0.038 0.000 1.064 411 A HN 0.301 8.353 8.150 -0.164 0.000 0.489 412 Q N 3.158 122.931 119.800 -0.045 0.000 2.077 412 Q HA -0.475 nan 4.340 nan 0.000 0.206 412 Q C 2.051 178.039 176.000 -0.019 0.000 0.989 412 Q CA 4.333 60.116 55.803 -0.034 0.000 0.853 412 Q CB -0.014 28.710 28.738 -0.023 0.000 0.907 412 Q HN 0.082 8.330 8.270 -0.036 0.000 0.418 413 D N -3.639 116.756 120.400 -0.009 0.000 2.265 413 D HA -0.182 nan 4.640 nan 0.000 0.208 413 D C 1.444 177.760 176.300 0.027 0.000 0.977 413 D CA 2.690 56.694 54.000 0.007 0.000 0.871 413 D CB -0.358 40.447 40.800 0.009 0.000 0.925 413 D HN 0.517 8.880 8.370 -0.011 0.000 0.485 414 S N -2.065 113.651 115.700 0.027 0.000 2.502 414 S HA 0.189 nan 4.470 nan 0.000 0.215 414 S C 1.927 176.605 174.600 0.130 0.000 1.009 414 S CA 0.815 59.078 58.200 0.104 0.000 0.908 414 S CB 1.386 64.683 63.200 0.161 0.000 0.801 414 S HN -0.499 7.662 8.310 -0.006 0.145 0.505 415 V N -0.383 119.511 119.914 -0.034 0.000 2.324 415 V HA -0.419 nan 4.120 nan 0.000 0.250 415 V C 1.030 177.163 176.094 0.065 0.000 1.060 415 V CA 3.567 65.831 62.300 -0.060 0.000 1.042 415 V CB -1.528 30.253 31.823 -0.071 0.000 0.650 415 V HN -0.100 7.947 8.190 -0.052 0.111 0.450 416 A N -0.544 122.311 122.820 0.057 0.000 1.873 416 A HA -0.447 nan 4.320 nan 0.000 0.218 416 A C 1.659 179.291 177.584 0.081 0.000 1.193 416 A CA 3.538 55.608 52.037 0.055 0.000 0.629 416 A CB -1.286 17.736 19.000 0.037 0.000 0.826 416 A HN -0.205 7.964 8.150 0.037 0.003 0.447 417 A N -1.557 121.331 122.820 0.115 0.000 1.908 417 A HA -0.305 nan 4.320 nan 0.000 0.218 417 A C 2.370 179.992 177.584 0.063 0.000 1.181 417 A CA 2.979 55.062 52.037 0.076 0.000 0.627 417 A CB -1.067 17.970 19.000 0.060 0.000 0.818 417 A HN -0.404 7.751 8.150 0.131 0.073 0.445 418 H N -1.745 117.322 119.070 -0.004 0.000 2.387 418 H HA -0.302 nan 4.556 nan 0.000 0.299 418 H C 2.794 178.119 175.328 -0.005 0.000 1.090 418 H CA 3.434 59.479 56.048 -0.005 0.000 1.332 418 H CB 0.116 29.874 29.762 -0.006 0.000 1.386 418 H HN -0.470 8.032 8.280 0.503 0.079 0.516 419 L N -0.770 120.530 121.223 0.128 0.000 2.072 419 L HA -0.323 nan 4.340 nan 0.000 0.205 419 L C 1.609 178.503 176.870 0.041 0.000 1.079 419 L CA 2.846 57.726 54.840 0.066 0.000 0.752 419 L CB -0.347 41.741 42.059 0.048 0.000 0.906 419 L HN 0.492 8.808 8.230 0.144 0.000 0.436 420 R N -1.176 119.345 120.500 0.035 0.000 2.127 420 R HA -0.405 nan 4.340 nan 0.000 0.238 420 R C 2.404 178.707 176.300 0.004 0.000 1.134 420 R CA 4.124 60.233 56.100 0.016 0.000 0.975 420 R CB 0.002 30.308 30.300 0.011 0.000 0.865 420 R HN 0.107 8.406 8.270 0.048 0.000 0.447 421 T N -1.197 113.356 114.554 -0.002 0.000 2.852 421 T HA -0.166 nan 4.350 nan 0.000 0.256 421 T C 1.478 176.176 174.700 -0.004 0.000 1.038 421 T CA 2.326 64.417 62.100 -0.016 0.000 1.141 421 T CB -0.219 68.622 68.868 -0.045 0.000 0.869 421 T HN -0.630 7.504 8.240 0.004 0.109 0.439 422 L N 0.851 122.080 121.223 0.009 0.000 2.189 422 L HA -0.319 nan 4.340 nan 0.000 0.214 422 L C 0.718 177.595 176.870 0.011 0.000 1.097 422 L CA 2.361 57.210 54.840 0.014 0.000 0.764 422 L CB 0.321 42.398 42.059 0.029 0.000 0.900 422 L HN -0.366 7.875 8.230 0.019 0.000 0.436 423 L N -6.228 115.002 121.223 0.012 0.000 2.262 423 L HA 0.026 nan 4.340 nan 0.000 0.197 423 L C 0.631 177.504 176.870 0.004 0.000 1.073 423 L CA 0.623 55.469 54.840 0.011 0.000 0.800 423 L CB 1.218 43.286 42.059 0.015 0.000 0.987 423 L HN -0.206 7.999 8.230 0.013 0.033 0.470 424 G N 0.000 108.801 108.800 0.002 0.000 5.446 424 G HA2 0.000 nan 3.960 nan 0.000 0.244 424 G HA3 0.000 nan 3.960 nan 0.000 0.244 424 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 424 G HN 0.000 8.292 8.290 0.003 0.000 0.925