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 3jsu_1_B DATA FIRST_RESID 2 DATA SEQUENCE MEQVCDVFDI YAICACCKVE SKNEGKKNEV FNNYTFRGLG NKGVLPWKCI DATA SEQUENCE SLDMKYFRAV TTYVNESKYE KLKYKRCKYL XXXXXXXXXX XPNSKKLQNV DATA SEQUENCE VVMGRTNWES IPKKFKPLSN RINVILSRTL KKEDFDEDVY IINKVEDLIV DATA SEQUENCE LLGKLNYYKC FILGGSVVYQ EFLEKKLIKK IYFTRINSTY ECDVFFPEIN DATA SEQUENCE ENEYQIISVS DVYTSNNTTL DFIIYKKTNN XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XDDEEEDDFV YFNFNKEKEE DATA SEQUENCE KNKNSIHPND FQIYNSLKYK YHPEYQYLNI IYDIMMNGNK QSDRTGVGVL DATA SEQUENCE SKFGYIMKFD LSQYFPLLTT KKLFLRGIIE ELLWFIRGET NGNTLLNKNV DATA SEQUENCE RIWEANGTRE FLDNRKLFHR EVNDLGPIYG FQWRHFGAEY TNMYDNYENK DATA SEQUENCE GVDQLKNIIN LIKNDPTSRR ILLCAWNVKD LDQMALPPCH ILCQFYVFDG DATA SEQUENCE KLSCIMYQRS CDLGLGVPFN IASYSIFTHM IAQVCNLQPA QFIHVLGNAH DATA SEQUENCE VYNNHIDSLK IQLNRIPYPF PTLKLNPDIK NIEDFTISDF TIQNYVHHEK DATA SEQUENCE ISMD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 M HA 0.000 nan 4.480 nan 0.000 0.227 2 M C 0.000 176.338 176.300 0.063 0.000 1.140 2 M CA 0.000 55.331 55.300 0.052 0.000 0.988 2 M CB 0.000 32.630 32.600 0.049 0.000 1.302 3 E N 3.329 123.583 120.200 0.091 0.000 2.442 3 E HA 0.071 4.450 4.350 0.049 0.000 0.262 3 E C -0.945 175.700 176.600 0.076 0.000 1.004 3 E CA 0.665 57.115 56.400 0.083 0.000 0.928 3 E CB 0.581 30.363 29.700 0.137 0.000 0.937 3 E HN 0.231 nan 8.360 nan 0.000 0.446 4 Q N 1.962 121.772 119.800 0.017 0.000 2.322 4 Q HA 0.164 4.533 4.340 0.049 0.000 0.265 4 Q C 1.262 177.254 176.000 -0.013 0.000 0.985 4 Q CA -0.486 55.333 55.803 0.026 0.000 0.849 4 Q CB 1.860 30.615 28.738 0.029 0.000 1.274 4 Q HN 0.264 nan 8.270 nan 0.000 0.449 5 V N 1.504 121.446 119.914 0.046 0.000 2.252 5 V HA -0.399 3.750 4.120 0.049 0.000 0.255 5 V C 2.180 178.354 176.094 0.134 0.000 1.071 5 V CA 2.658 65.028 62.300 0.116 0.000 1.050 5 V CB -1.441 30.484 31.823 0.169 0.000 0.654 5 V HN 0.990 nan 8.190 nan 0.000 0.448 6 C N 0.017 119.372 119.300 0.091 0.000 2.419 6 C HA -0.125 4.364 4.460 0.049 0.000 0.283 6 C C 2.126 177.100 174.990 -0.027 0.000 1.373 6 C CA 0.639 59.692 59.018 0.058 0.000 1.781 6 C CB -1.417 26.375 27.740 0.087 0.000 1.886 6 C HN 0.623 nan 8.230 nan 0.000 0.520 7 D N 1.279 121.649 120.400 -0.049 0.000 2.213 7 D HA -0.008 4.661 4.640 0.049 0.000 0.205 7 D C 2.381 178.573 176.300 -0.181 0.000 0.961 7 D CA 1.119 55.066 54.000 -0.089 0.000 0.853 7 D CB -0.066 40.695 40.800 -0.065 0.000 0.967 7 D HN 0.506 nan 8.370 nan 0.000 0.496 8 V N 0.400 120.138 119.914 -0.292 0.000 2.346 8 V HA -0.120 4.029 4.120 0.049 0.000 0.244 8 V C 1.745 177.480 176.094 -0.599 0.000 1.037 8 V CA 1.143 63.115 62.300 -0.547 0.000 1.029 8 V CB -0.452 30.770 31.823 -1.002 0.000 0.663 8 V HN 0.036 nan 8.190 nan 0.000 0.454 9 F N -0.360 119.490 119.950 -0.166 0.000 2.765 9 F HA 0.247 4.803 4.527 0.048 0.000 0.302 9 F C 0.709 176.427 175.800 -0.136 0.000 1.111 9 F CA -0.269 57.696 58.000 -0.059 0.000 1.359 9 F CB -0.352 38.660 39.000 0.022 0.000 1.097 9 F HN 0.132 nan 8.300 nan 0.000 0.577 10 D N 1.902 122.197 120.400 -0.176 0.000 2.812 10 D HA -0.208 4.462 4.640 0.049 0.000 0.237 10 D C -0.198 175.719 176.300 -0.638 0.000 1.162 10 D CA 0.579 54.271 54.000 -0.514 0.000 0.740 10 D CB -1.037 39.463 40.800 -0.500 0.000 1.000 10 D HN 0.275 nan 8.370 nan 0.000 0.416 11 I N 1.534 121.854 120.570 -0.417 0.000 2.301 11 I HA 0.158 4.357 4.170 0.049 0.000 0.292 11 I C 0.314 176.282 176.117 -0.249 0.000 1.046 11 I CA -0.392 60.744 61.300 -0.273 0.000 1.282 11 I CB 0.313 38.275 38.000 -0.063 0.000 1.409 11 I HN -0.057 nan 8.210 nan 0.000 0.484 12 Y N 4.468 124.780 120.300 0.020 0.000 2.602 12 Y HA 0.761 5.340 4.550 0.049 0.000 0.330 12 Y C 0.317 176.401 175.900 0.306 0.000 1.114 12 Y CA -1.360 56.871 58.100 0.219 0.000 1.182 12 Y CB 1.568 40.214 38.460 0.311 0.000 1.305 12 Y HN 0.503 nan 8.280 nan 0.000 0.502 13 A N 1.914 125.101 122.820 0.612 0.000 2.356 13 A HA 0.741 5.091 4.320 0.049 0.000 0.310 13 A C -1.458 176.445 177.584 0.530 0.000 1.075 13 A CA -0.659 51.681 52.037 0.505 0.000 0.746 13 A CB 0.797 20.043 19.000 0.410 0.000 1.221 13 A HN 0.756 nan 8.150 nan 0.000 0.443 14 I N 2.993 123.834 120.570 0.452 0.000 2.498 14 I HA 0.672 4.871 4.170 0.049 0.000 0.290 14 I C -0.403 175.881 176.117 0.279 0.000 1.032 14 I CA -0.413 61.089 61.300 0.337 0.000 1.073 14 I CB 1.317 39.405 38.000 0.147 0.000 1.251 14 I HN 1.065 nan 8.210 nan 0.000 0.426 15 C N 4.588 123.946 119.300 0.096 0.000 3.336 15 C HA 0.995 5.484 4.460 0.049 0.000 0.339 15 C C -0.971 173.914 174.990 -0.175 0.000 1.468 15 C CA -0.403 58.575 59.018 -0.066 0.000 1.287 15 C CB 1.121 28.628 27.740 -0.389 0.000 1.682 15 C HN 1.008 nan 8.230 nan 0.000 0.451 16 A N 0.189 122.906 122.820 -0.172 0.000 2.442 16 A HA 0.781 5.130 4.320 0.049 0.000 0.284 16 A C -0.842 176.736 177.584 -0.009 0.000 1.058 16 A CA -0.251 51.726 52.037 -0.101 0.000 0.738 16 A CB 0.517 19.584 19.000 0.112 0.000 1.242 16 A HN 1.451 nan 8.150 nan 0.000 0.421 17 C N 1.697 120.927 119.300 -0.117 0.000 2.563 17 C HA 0.819 5.309 4.460 0.049 0.000 0.314 17 C C 0.814 176.001 174.990 0.328 0.000 1.199 17 C CA -0.901 58.217 59.018 0.167 0.000 1.564 17 C CB 0.170 27.991 27.740 0.134 0.000 2.173 17 C HN 1.119 nan 8.230 nan 0.000 0.485 18 C N 1.186 120.722 119.300 0.393 0.000 2.711 18 C HA 0.751 5.240 4.460 0.049 0.000 0.410 18 C C -0.319 174.854 174.990 0.305 0.000 1.553 18 C CA -0.963 58.280 59.018 0.375 0.000 1.759 18 C CB 0.191 28.183 27.740 0.420 0.000 2.077 18 C HN 0.881 nan 8.230 nan 0.000 0.483 19 K N 0.694 121.209 120.400 0.193 0.000 2.118 19 K HA 0.624 4.973 4.320 0.049 0.000 0.267 19 K C -0.552 176.124 176.600 0.125 0.000 0.991 19 K CA -0.383 55.909 56.287 0.009 0.000 0.916 19 K CB 1.626 34.051 32.500 -0.125 0.000 1.041 19 K HN 0.728 nan 8.250 nan 0.000 0.455 20 V N -0.949 119.003 119.914 0.062 0.000 2.513 20 V HA 0.359 4.508 4.120 0.049 0.000 0.299 20 V C -0.241 175.876 176.094 0.038 0.000 1.035 20 V CA -1.114 61.254 62.300 0.114 0.000 0.889 20 V CB 1.416 33.329 31.823 0.149 0.000 0.988 20 V HN 0.688 nan 8.190 nan 0.000 0.440 21 E N 2.438 122.675 120.200 0.062 0.000 2.568 21 E HA 0.028 4.407 4.350 0.049 0.000 0.262 21 E C 1.001 177.598 176.600 -0.005 0.000 0.961 21 E CA 0.724 57.139 56.400 0.025 0.000 0.945 21 E CB 0.657 30.382 29.700 0.041 0.000 0.924 21 E HN 0.843 nan 8.360 nan 0.000 0.467 22 S N 2.713 118.399 115.700 -0.023 0.000 2.603 22 S HA -0.081 4.418 4.470 0.049 0.000 0.229 22 S C 0.374 174.959 174.600 -0.025 0.000 0.972 22 S CA 0.301 58.476 58.200 -0.042 0.000 0.935 22 S CB -0.065 63.105 63.200 -0.051 0.000 0.769 22 S HN 0.498 nan 8.310 nan 0.000 0.536 23 K N 1.614 122.010 120.400 -0.006 0.000 3.096 23 K HA -0.184 4.165 4.320 0.049 0.000 0.266 23 K C 0.039 176.639 176.600 -0.000 0.000 1.043 23 K CA 0.601 56.890 56.287 0.005 0.000 0.758 23 K CB -2.386 30.119 32.500 0.008 0.000 1.260 23 K HN 0.387 nan 8.250 nan 0.000 0.481 24 N N -1.420 117.278 118.700 -0.004 0.000 2.758 24 N HA -0.246 4.523 4.740 0.049 0.000 0.245 24 N C -0.448 175.057 175.510 -0.009 0.000 1.059 24 N CA 1.515 54.562 53.050 -0.005 0.000 0.900 24 N CB -0.393 38.094 38.487 0.001 0.000 1.145 24 N HN 0.482 nan 8.380 nan 0.000 0.590 25 E N 0.678 120.870 120.200 -0.013 0.000 2.134 25 E HA 0.513 4.892 4.350 0.049 0.000 0.278 25 E C 0.671 177.256 176.600 -0.025 0.000 0.959 25 E CA 0.236 56.627 56.400 -0.016 0.000 0.783 25 E CB 1.021 30.713 29.700 -0.013 0.000 1.095 25 E HN 0.387 nan 8.360 nan 0.000 0.399 26 G N 4.189 112.975 108.800 -0.024 0.000 2.858 26 G HA2 -0.154 3.835 3.960 0.049 0.000 0.272 26 G HA3 -0.154 3.835 3.960 0.049 0.000 0.272 26 G C -0.468 174.411 174.900 -0.034 0.000 1.003 26 G CA -0.672 44.410 45.100 -0.031 0.000 1.241 26 G HN 0.214 nan 8.290 nan 0.000 0.569 27 K N 2.172 122.557 120.400 -0.024 0.000 2.356 27 K HA 0.431 4.780 4.320 0.049 0.000 0.243 27 K C 0.701 177.290 176.600 -0.018 0.000 1.072 27 K CA -0.001 56.273 56.287 -0.021 0.000 1.014 27 K CB 1.077 33.570 32.500 -0.012 0.000 1.523 27 K HN 0.665 nan 8.250 nan 0.000 0.455 28 K N 0.388 120.772 120.400 -0.027 0.000 2.126 28 K HA 0.304 4.653 4.320 0.049 0.000 0.245 28 K C -0.509 176.079 176.600 -0.020 0.000 1.068 28 K CA -1.127 55.148 56.287 -0.020 0.000 0.877 28 K CB 0.961 33.446 32.500 -0.026 0.000 1.406 28 K HN 0.080 nan 8.250 nan 0.000 0.490 29 N N 2.227 120.923 118.700 -0.007 0.000 2.399 29 N HA -0.019 4.750 4.740 0.049 0.000 0.259 29 N C -0.863 174.612 175.510 -0.058 0.000 1.160 29 N CA 0.252 53.308 53.050 0.011 0.000 0.946 29 N CB 0.433 38.955 38.487 0.057 0.000 1.156 29 N HN 0.328 nan 8.380 nan 0.000 0.489 30 E N 1.934 122.058 120.200 -0.126 0.000 2.442 30 E HA 0.047 4.426 4.350 0.049 0.000 0.262 30 E C -0.736 175.556 176.600 -0.514 0.000 1.004 30 E CA -0.044 56.149 56.400 -0.344 0.000 0.928 30 E CB 0.595 30.003 29.700 -0.487 0.000 0.937 30 E HN 0.219 nan 8.360 nan 0.000 0.446 31 V N 4.770 124.339 119.914 -0.575 0.000 2.667 31 V HA 0.436 4.586 4.120 0.049 0.000 0.308 31 V C -0.545 175.085 176.094 -0.774 0.000 1.048 31 V CA -0.550 61.450 62.300 -0.499 0.000 0.928 31 V CB 1.180 32.871 31.823 -0.220 0.000 1.004 31 V HN 0.512 nan 8.190 nan 0.000 0.444 32 F N 2.264 122.038 119.950 -0.293 0.000 2.575 32 F HA 0.774 5.328 4.527 0.044 0.000 0.330 32 F C 0.197 175.862 175.800 -0.225 0.000 1.056 32 F CA -0.597 57.184 58.000 -0.365 0.000 0.964 32 F CB 2.082 40.687 39.000 -0.658 0.000 1.258 32 F HN 0.754 nan 8.300 nan 0.000 0.484 33 N N -1.821 116.900 118.700 0.035 0.000 3.355 33 N HA 0.178 4.947 4.740 0.049 0.000 0.238 33 N C -0.611 175.027 175.510 0.213 0.000 1.466 33 N CA -0.792 52.343 53.050 0.141 0.000 0.882 33 N CB 0.299 38.859 38.487 0.122 0.000 1.406 33 N HN 0.258 nan 8.380 nan 0.000 0.500 34 N N -0.928 117.944 118.700 0.286 0.000 2.258 34 N HA -0.185 4.585 4.740 0.049 0.000 0.187 34 N C 0.644 176.328 175.510 0.291 0.000 1.012 34 N CA 1.139 54.371 53.050 0.304 0.000 0.870 34 N CB -0.420 38.215 38.487 0.246 0.000 0.977 34 N HN 0.553 nan 8.380 nan 0.000 0.434 35 Y N 2.145 122.519 120.300 0.124 0.000 2.574 35 Y HA -0.082 4.497 4.550 0.047 0.000 0.294 35 Y C 2.039 177.987 175.900 0.081 0.000 1.142 35 Y CA 0.839 59.005 58.100 0.110 0.000 1.314 35 Y CB -0.493 38.009 38.460 0.071 0.000 0.991 35 Y HN -0.017 nan 8.280 nan 0.000 0.555 36 T N 0.253 114.791 114.554 -0.027 0.000 2.778 36 T HA -0.202 4.178 4.350 0.049 0.000 0.269 36 T C 0.132 174.594 174.700 -0.397 0.000 1.050 36 T CA 1.175 63.111 62.100 -0.274 0.000 1.137 36 T CB -0.534 68.105 68.868 -0.383 0.000 0.860 36 T HN 0.086 nan 8.240 nan 0.000 0.468 37 F N 1.904 121.838 119.950 -0.027 0.000 2.350 37 F HA 0.407 4.963 4.527 0.048 0.000 0.365 37 F C 1.310 177.230 175.800 0.200 0.000 1.122 37 F CA -0.892 57.170 58.000 0.104 0.000 1.139 37 F CB 0.718 39.812 39.000 0.157 0.000 1.220 37 F HN 0.021 nan 8.300 nan 0.000 0.499 38 R N 0.616 121.273 120.500 0.262 0.000 2.636 38 R HA 0.249 4.618 4.340 0.049 0.000 0.259 38 R C 0.781 177.315 176.300 0.390 0.000 0.970 38 R CA -0.192 56.079 56.100 0.285 0.000 1.107 38 R CB -0.060 30.219 30.300 -0.036 0.000 1.687 38 R HN 0.598 nan 8.270 nan 0.000 0.527 39 G N 2.014 111.046 108.800 0.385 0.000 2.255 39 G HA2 0.189 4.179 3.960 0.049 0.000 0.267 39 G HA3 0.189 4.179 3.960 0.049 0.000 0.267 39 G C 0.367 175.434 174.900 0.278 0.000 1.177 39 G CA -0.185 45.155 45.100 0.400 0.000 1.027 39 G HN 0.109 nan 8.290 nan 0.000 0.437 40 L N 2.442 123.740 121.223 0.124 0.000 2.265 40 L HA 0.384 4.753 4.340 0.049 0.000 0.195 40 L C 1.547 178.340 176.870 -0.128 0.000 1.083 40 L CA 0.947 55.827 54.840 0.066 0.000 0.798 40 L CB 0.011 42.147 42.059 0.127 0.000 0.989 40 L HN 0.654 nan 8.230 nan 0.000 0.472 41 G N -1.134 107.543 108.800 -0.204 0.000 2.682 41 G HA2 0.433 4.422 3.960 0.049 0.000 0.290 41 G HA3 0.433 4.422 3.960 0.049 0.000 0.290 41 G C -2.038 172.718 174.900 -0.240 0.000 1.425 41 G CA -0.337 44.605 45.100 -0.263 0.000 0.807 41 G HN 0.005 nan 8.290 nan 0.000 0.482 42 N N -0.528 118.048 118.700 -0.207 0.000 2.503 42 N HA 0.344 5.113 4.740 0.049 0.000 0.287 42 N C -0.471 174.972 175.510 -0.112 0.000 1.096 42 N CA -0.612 52.355 53.050 -0.139 0.000 0.936 42 N CB 1.255 39.690 38.487 -0.085 0.000 1.570 42 N HN 0.644 nan 8.380 nan 0.000 0.504 43 K N 2.615 122.965 120.400 -0.083 0.000 3.244 43 K HA -0.191 4.158 4.320 0.049 0.000 0.270 43 K C 0.713 177.270 176.600 -0.072 0.000 1.016 43 K CA 0.778 57.028 56.287 -0.061 0.000 0.754 43 K CB -1.660 30.814 32.500 -0.043 0.000 1.326 43 K HN 1.054 nan 8.250 nan 0.000 0.465 44 G N -1.539 107.213 108.800 -0.081 0.000 2.205 44 G HA2 -0.394 3.596 3.960 0.049 0.000 0.269 44 G HA3 -0.394 3.596 3.960 0.049 0.000 0.269 44 G C 0.351 175.187 174.900 -0.107 0.000 0.977 44 G CA 0.736 45.790 45.100 -0.078 0.000 0.652 44 G HN 0.780 nan 8.290 nan 0.000 0.539 45 V N -2.486 117.345 119.914 -0.138 0.000 3.229 45 V HA 0.833 4.982 4.120 0.049 0.000 0.310 45 V C 1.043 176.959 176.094 -0.297 0.000 1.206 45 V CA -1.705 60.482 62.300 -0.187 0.000 1.051 45 V CB 1.467 33.196 31.823 -0.157 0.000 1.183 45 V HN 0.231 nan 8.190 nan 0.000 0.466 46 L N 0.835 121.802 121.223 -0.426 0.000 2.417 46 L HA 0.309 4.678 4.340 0.049 0.000 0.268 46 L C -1.573 174.834 176.870 -0.772 0.000 1.158 46 L CA -1.222 53.149 54.840 -0.782 0.000 0.819 46 L CB 1.009 42.427 42.059 -1.069 0.000 1.112 46 L HN 0.487 nan 8.230 nan 0.000 0.458 47 P HA -0.109 nan 4.420 nan 0.000 0.225 47 P C -1.030 176.030 177.300 -0.401 0.000 1.148 47 P CA 0.900 63.739 63.100 -0.435 0.000 0.779 47 P CB 0.075 31.658 31.700 -0.196 0.000 0.780 48 W N -3.077 117.955 121.300 -0.448 0.000 2.799 48 W HA 0.585 5.274 4.660 0.049 0.000 0.349 48 W C 1.025 177.455 176.519 -0.149 0.000 1.100 48 W CA -1.001 56.061 57.345 -0.472 0.000 1.174 48 W CB 0.178 29.212 29.460 -0.709 0.000 1.427 48 W HN -0.549 nan 8.180 nan 0.000 0.547 49 K N 0.862 121.390 120.400 0.213 0.000 1.965 49 K HA -0.069 4.280 4.320 0.049 0.000 0.214 49 K C -0.041 176.661 176.600 0.170 0.000 1.046 49 K CA 1.377 57.752 56.287 0.147 0.000 0.944 49 K CB -0.413 32.187 32.500 0.166 0.000 0.726 49 K HN 0.592 nan 8.250 nan 0.000 0.441 50 C N -0.274 119.184 119.300 0.264 0.000 3.113 50 C HA 0.521 5.010 4.460 0.049 0.000 0.376 50 C C -1.397 173.713 174.990 0.201 0.000 1.077 50 C CA -0.917 58.245 59.018 0.240 0.000 1.253 50 C CB 0.312 28.133 27.740 0.136 0.000 1.637 50 C HN 0.368 nan 8.230 nan 0.000 0.535 51 I N 6.239 126.910 120.570 0.169 0.000 2.871 51 I HA 0.159 4.359 4.170 0.049 0.000 0.284 51 I C 1.477 177.628 176.117 0.056 0.000 1.390 51 I CA -0.029 61.288 61.300 0.028 0.000 0.958 51 I CB 1.108 38.986 38.000 -0.205 0.000 1.618 51 I HN 0.846 nan 8.210 nan 0.000 0.595 52 S N 2.499 118.238 115.700 0.065 0.000 2.400 52 S HA -0.273 4.226 4.470 0.049 0.000 0.234 52 S C 1.779 176.414 174.600 0.058 0.000 1.049 52 S CA 1.287 59.523 58.200 0.059 0.000 1.039 52 S CB -0.256 62.976 63.200 0.053 0.000 0.856 52 S HN 0.591 nan 8.310 nan 0.000 0.465 53 L N 2.481 123.735 121.223 0.051 0.000 2.046 53 L HA -0.050 4.319 4.340 0.049 0.000 0.208 53 L C 2.201 179.158 176.870 0.144 0.000 1.077 53 L CA 2.396 57.271 54.840 0.057 0.000 0.747 53 L CB -0.952 41.119 42.059 0.020 0.000 0.896 53 L HN 0.400 nan 8.230 nan 0.000 0.432 54 D N -1.625 118.874 120.400 0.166 0.000 2.144 54 D HA -0.224 4.445 4.640 0.049 0.000 0.199 54 D C 2.101 178.549 176.300 0.246 0.000 0.984 54 D CA 1.186 55.351 54.000 0.274 0.000 0.834 54 D CB 0.104 40.997 40.800 0.155 0.000 0.955 54 D HN 0.173 nan 8.370 nan 0.000 0.465 55 M N 0.438 120.132 119.600 0.158 0.000 2.080 55 M HA -0.126 4.383 4.480 0.049 0.000 0.260 55 M C 2.234 178.619 176.300 0.143 0.000 1.068 55 M CA 1.353 56.738 55.300 0.142 0.000 1.109 55 M CB -0.983 31.653 32.600 0.060 0.000 1.342 55 M HN 0.130 nan 8.290 nan 0.000 0.405 56 K N -0.909 119.544 120.400 0.088 0.000 2.097 56 K HA -0.220 4.129 4.320 0.049 0.000 0.206 56 K C 2.096 178.702 176.600 0.009 0.000 1.049 56 K CA 1.285 57.591 56.287 0.032 0.000 0.933 56 K CB -0.200 32.308 32.500 0.013 0.000 0.717 56 K HN 0.209 nan 8.250 nan 0.000 0.442 57 Y N 0.442 120.674 120.300 -0.114 0.000 2.184 57 Y HA -0.204 4.375 4.550 0.049 0.000 0.290 57 Y C 1.902 177.712 175.900 -0.151 0.000 1.129 57 Y CA 1.515 59.460 58.100 -0.260 0.000 1.144 57 Y CB -0.568 37.587 38.460 -0.508 0.000 0.995 57 Y HN 0.120 nan 8.280 nan 0.000 0.513 58 F N 1.271 121.155 119.950 -0.110 0.000 2.027 58 F HA -0.289 4.267 4.527 0.049 0.000 0.297 58 F C 2.723 178.360 175.800 -0.271 0.000 1.129 58 F CA 2.559 60.447 58.000 -0.187 0.000 1.195 58 F CB -0.919 38.045 39.000 -0.059 0.000 0.960 58 F HN 0.030 nan 8.300 nan 0.000 0.485 59 R N 0.427 120.725 120.500 -0.337 0.000 2.080 59 R HA -0.194 4.175 4.340 0.049 0.000 0.236 59 R C 2.398 178.479 176.300 -0.366 0.000 1.137 59 R CA 1.751 57.600 56.100 -0.418 0.000 0.943 59 R CB -0.957 29.235 30.300 -0.179 0.000 0.846 59 R HN 0.426 nan 8.270 nan 0.000 0.431 60 A N 0.396 123.043 122.820 -0.288 0.000 1.892 60 A HA -0.174 4.175 4.320 0.049 0.000 0.218 60 A C 2.345 179.733 177.584 -0.327 0.000 1.188 60 A CA 2.081 53.964 52.037 -0.256 0.000 0.631 60 A CB -0.831 18.023 19.000 -0.244 0.000 0.822 60 A HN 0.275 nan 8.150 nan 0.000 0.447 61 V N 0.464 120.038 119.914 -0.567 0.000 2.261 61 V HA -0.255 3.894 4.120 0.049 0.000 0.246 61 V C 3.012 178.738 176.094 -0.614 0.000 1.047 61 V CA 2.561 64.456 62.300 -0.675 0.000 1.015 61 V CB -1.588 29.601 31.823 -1.056 0.000 0.642 61 V HN 0.854 nan 8.190 nan 0.000 0.446 62 T N -1.262 112.827 114.554 -0.776 0.000 2.915 62 T HA -0.174 4.206 4.350 0.049 0.000 0.269 62 T C 1.662 176.314 174.700 -0.079 0.000 1.071 62 T CA 1.860 63.628 62.100 -0.552 0.000 1.132 62 T CB -0.659 67.821 68.868 -0.647 0.000 0.878 62 T HN 0.641 nan 8.240 nan 0.000 0.479 63 T N -2.451 112.025 114.554 -0.131 0.000 3.057 63 T HA 0.175 4.554 4.350 0.049 0.000 0.254 63 T C 0.553 175.272 174.700 0.033 0.000 1.094 63 T CA -0.595 61.484 62.100 -0.036 0.000 1.088 63 T CB -0.739 68.082 68.868 -0.079 0.000 0.934 63 T HN 0.433 nan 8.240 nan 0.000 0.497 64 Y N 2.246 122.522 120.300 -0.040 0.000 2.597 64 Y HA 0.419 4.999 4.550 0.049 0.000 0.336 64 Y C -0.584 175.345 175.900 0.049 0.000 1.216 64 Y CA -0.580 57.513 58.100 -0.013 0.000 1.463 64 Y CB 0.409 38.861 38.460 -0.013 0.000 1.303 64 Y HN 0.022 nan 8.280 nan 0.000 0.576 65 V N 6.068 125.354 119.914 -1.047 0.000 2.891 65 V HA 0.216 4.365 4.120 0.049 0.000 0.304 65 V C -1.070 174.180 176.094 -1.408 0.000 1.171 65 V CA -1.351 60.252 62.300 -1.160 0.000 0.943 65 V CB 2.082 33.492 31.823 -0.689 0.000 1.037 65 V HN 0.775 nan 8.190 nan 0.000 0.427 66 N N 2.422 120.194 118.700 -1.546 0.000 2.706 66 N HA 0.295 5.064 4.740 0.049 0.000 0.240 66 N C 0.851 176.035 175.510 -0.543 0.000 1.039 66 N CA -0.243 52.375 53.050 -0.719 0.000 0.888 66 N CB 1.468 39.834 38.487 -0.203 0.000 1.128 66 N HN 0.761 nan 8.380 nan 0.000 0.512 67 E N 0.216 120.182 120.200 -0.390 0.000 2.160 67 E HA -0.166 4.213 4.350 0.049 0.000 0.195 67 E C 1.318 177.901 176.600 -0.028 0.000 0.991 67 E CA 1.248 57.539 56.400 -0.182 0.000 0.810 67 E CB 0.146 29.758 29.700 -0.147 0.000 0.742 67 E HN 0.638 nan 8.360 nan 0.000 0.466 68 S N 0.442 116.117 115.700 -0.042 0.000 2.595 68 S HA -0.058 4.441 4.470 0.049 0.000 0.235 68 S C 1.395 176.018 174.600 0.038 0.000 0.974 68 S CA 0.771 58.973 58.200 0.003 0.000 0.942 68 S CB 0.031 63.228 63.200 -0.005 0.000 0.766 68 S HN 0.100 nan 8.310 nan 0.000 0.536 69 K N -1.038 119.411 120.400 0.081 0.000 2.438 69 K HA 0.274 4.623 4.320 0.049 0.000 0.206 69 K C 0.778 177.509 176.600 0.219 0.000 1.081 69 K CA -0.206 56.166 56.287 0.141 0.000 1.053 69 K CB 0.102 32.725 32.500 0.206 0.000 0.908 69 K HN 0.313 nan 8.250 nan 0.000 0.556 70 Y N 1.954 122.299 120.300 0.076 0.000 2.314 70 Y HA -0.095 4.484 4.550 0.048 0.000 0.293 70 Y C 2.025 177.944 175.900 0.033 0.000 1.129 70 Y CA 1.360 59.510 58.100 0.082 0.000 1.201 70 Y CB 0.149 38.632 38.460 0.038 0.000 0.999 70 Y HN 0.025 nan 8.280 nan 0.000 0.541 71 E N 0.804 120.928 120.200 -0.127 0.000 2.038 71 E HA -0.211 4.168 4.350 0.049 0.000 0.195 71 E C 2.074 178.572 176.600 -0.170 0.000 1.000 71 E CA 2.055 58.331 56.400 -0.207 0.000 0.803 71 E CB -0.189 29.462 29.700 -0.082 0.000 0.750 71 E HN 0.452 nan 8.360 nan 0.000 0.448 72 K N -0.199 120.139 120.400 -0.104 0.000 2.113 72 K HA -0.150 4.200 4.320 0.049 0.000 0.208 72 K C 2.243 178.806 176.600 -0.061 0.000 1.047 72 K CA 1.427 57.657 56.287 -0.095 0.000 0.928 72 K CB -0.244 32.206 32.500 -0.082 0.000 0.716 72 K HN 0.205 nan 8.250 nan 0.000 0.446 73 L N 0.800 121.956 121.223 -0.111 0.000 2.056 73 L HA -0.166 4.204 4.340 0.049 0.000 0.207 73 L C 2.596 179.340 176.870 -0.209 0.000 1.078 73 L CA 1.192 55.946 54.840 -0.143 0.000 0.749 73 L CB -0.385 41.616 42.059 -0.096 0.000 0.901 73 L HN 0.163 nan 8.230 nan 0.000 0.433 74 K N -0.321 119.846 120.400 -0.388 0.000 2.032 74 K HA -0.275 4.075 4.320 0.049 0.000 0.209 74 K C 2.268 178.790 176.600 -0.130 0.000 1.048 74 K CA 1.855 57.929 56.287 -0.354 0.000 0.927 74 K CB -0.320 31.858 32.500 -0.537 0.000 0.712 74 K HN 0.142 nan 8.250 nan 0.000 0.441 75 Y N 1.621 121.801 120.300 -0.201 0.000 2.081 75 Y HA -0.330 4.249 4.550 0.049 0.000 0.280 75 Y C 2.319 178.157 175.900 -0.104 0.000 1.163 75 Y CA 2.269 60.294 58.100 -0.125 0.000 1.135 75 Y CB -0.133 38.263 38.460 -0.107 0.000 0.970 75 Y HN -0.022 nan 8.280 nan 0.000 0.498 76 K N 0.164 120.635 120.400 0.118 0.000 2.097 76 K HA -0.208 4.141 4.320 0.049 0.000 0.206 76 K C 2.184 178.714 176.600 -0.117 0.000 1.049 76 K CA 1.584 57.874 56.287 0.004 0.000 0.933 76 K CB -0.121 32.370 32.500 -0.015 0.000 0.717 76 K HN 0.369 nan 8.250 nan 0.000 0.442 77 R N -0.161 120.246 120.500 -0.156 0.000 2.061 77 R HA -0.074 4.295 4.340 0.049 0.000 0.230 77 R C 2.614 178.895 176.300 -0.032 0.000 1.140 77 R CA 1.670 57.665 56.100 -0.175 0.000 0.940 77 R CB -0.562 29.635 30.300 -0.173 0.000 0.839 77 R HN 0.251 nan 8.270 nan 0.000 0.429 78 C N 0.815 120.087 119.300 -0.047 0.000 2.440 78 C HA -0.034 4.456 4.460 0.049 0.000 0.278 78 C C 2.304 177.256 174.990 -0.063 0.000 1.295 78 C CA 0.402 59.403 59.018 -0.029 0.000 1.738 78 C CB -0.543 27.168 27.740 -0.049 0.000 1.987 78 C HN 0.437 nan 8.230 nan 0.000 0.492 79 K N -1.056 119.262 120.400 -0.137 0.000 2.585 79 K HA -0.153 4.197 4.320 0.049 0.000 0.194 79 K C 1.430 177.996 176.600 -0.057 0.000 1.037 79 K CA 1.004 57.184 56.287 -0.178 0.000 0.964 79 K CB -0.087 32.193 32.500 -0.367 0.000 0.787 79 K HN 0.753 nan 8.250 nan 0.000 0.488 80 Y N -0.606 119.616 120.300 -0.131 0.000 2.664 80 Y HA 0.207 4.786 4.550 0.049 0.000 0.278 80 Y C 0.447 176.326 175.900 -0.036 0.000 1.130 80 Y CA -0.467 57.580 58.100 -0.089 0.000 1.260 80 Y CB 0.249 38.630 38.460 -0.131 0.000 1.369 80 Y HN -0.148 nan 8.280 nan 0.000 0.499 94 N N 0.664 119.387 118.700 0.038 0.000 3.018 94 N HA -0.101 4.668 4.740 0.049 0.000 0.209 94 N C -0.844 174.689 175.510 0.038 0.000 0.928 94 N CA 1.353 54.428 53.050 0.042 0.000 1.032 94 N CB -1.187 37.334 38.487 0.056 0.000 1.036 94 N HN 0.547 nan 8.380 nan 0.000 0.552 95 S N -0.117 115.600 115.700 0.027 0.000 2.508 95 S HA 0.193 4.692 4.470 0.049 0.000 0.182 95 S C 0.417 175.017 174.600 -0.001 0.000 0.683 95 S CA -0.508 57.700 58.200 0.013 0.000 0.912 95 S CB -0.044 63.164 63.200 0.013 0.000 1.441 95 S HN 0.128 nan 8.310 nan 0.000 0.414 96 K N 2.256 122.655 120.400 -0.003 0.000 2.442 96 K HA 0.097 4.447 4.320 0.049 0.000 0.198 96 K C 0.192 176.775 176.600 -0.028 0.000 1.044 96 K CA 0.756 57.038 56.287 -0.009 0.000 0.948 96 K CB -0.111 32.386 32.500 -0.006 0.000 0.762 96 K HN 0.583 nan 8.250 nan 0.000 0.472 97 K N 1.195 121.574 120.400 -0.035 0.000 2.483 97 K HA 0.191 4.540 4.320 0.049 0.000 0.256 97 K C -0.829 175.722 176.600 -0.083 0.000 0.961 97 K CA -0.821 55.430 56.287 -0.060 0.000 0.873 97 K CB 1.570 34.041 32.500 -0.048 0.000 1.107 97 K HN -0.161 nan 8.250 nan 0.000 0.432 98 L N 2.863 124.002 121.223 -0.140 0.000 2.426 98 L HA 0.115 4.485 4.340 0.049 0.000 0.271 98 L C -0.377 176.401 176.870 -0.154 0.000 1.169 98 L CA 1.058 55.771 54.840 -0.211 0.000 0.836 98 L CB 0.452 42.300 42.059 -0.352 0.000 1.112 98 L HN 0.644 nan 8.230 nan 0.000 0.465 99 Q N 2.651 122.399 119.800 -0.086 0.000 2.857 99 Q HA 0.517 4.886 4.340 0.049 0.000 0.319 99 Q C -1.271 174.789 176.000 0.099 0.000 0.963 99 Q CA -1.108 54.692 55.803 -0.005 0.000 0.770 99 Q CB 1.618 30.366 28.738 0.018 0.000 1.492 99 Q HN 0.635 nan 8.270 nan 0.000 0.493 100 N N -0.192 118.592 118.700 0.141 0.000 2.404 100 N HA 0.454 5.224 4.740 0.049 0.000 0.297 100 N C -1.241 174.375 175.510 0.176 0.000 1.163 100 N CA -0.354 52.823 53.050 0.212 0.000 0.864 100 N CB 1.905 40.554 38.487 0.269 0.000 1.247 100 N HN 0.157 nan 8.380 nan 0.000 0.510 101 V N 1.351 121.360 119.914 0.159 0.000 2.394 101 V HA 0.286 4.436 4.120 0.049 0.000 0.282 101 V C 0.123 176.268 176.094 0.084 0.000 1.031 101 V CA -0.774 61.555 62.300 0.049 0.000 0.881 101 V CB 1.292 33.016 31.823 -0.164 0.000 0.982 101 V HN 0.474 nan 8.190 nan 0.000 0.451 102 V N 3.785 123.761 119.914 0.102 0.000 2.326 102 V HA 0.572 4.721 4.120 0.049 0.000 0.281 102 V C -0.303 175.852 176.094 0.101 0.000 1.015 102 V CA -0.673 61.711 62.300 0.139 0.000 0.823 102 V CB 1.176 33.093 31.823 0.156 0.000 1.009 102 V HN 0.443 nan 8.190 nan 0.000 0.436 103 V N 7.877 127.824 119.914 0.056 0.000 2.432 103 V HA 0.533 4.682 4.120 0.049 0.000 0.271 103 V C 0.364 176.489 176.094 0.051 0.000 1.046 103 V CA -0.043 62.275 62.300 0.030 0.000 0.945 103 V CB 0.999 32.806 31.823 -0.028 0.000 0.992 103 V HN 1.030 nan 8.190 nan 0.000 0.471 104 M N 3.801 123.448 119.600 0.078 0.000 2.457 104 M HA 0.791 5.300 4.480 0.049 0.000 0.300 104 M C 0.183 176.523 176.300 0.067 0.000 1.141 104 M CA -0.557 54.791 55.300 0.080 0.000 0.901 104 M CB 1.925 34.622 32.600 0.161 0.000 1.687 104 M HN 0.533 nan 8.290 nan 0.000 0.449 105 G N 1.396 110.212 108.800 0.028 0.000 2.699 105 G HA2 0.184 4.173 3.960 0.049 0.000 0.246 105 G HA3 0.184 4.173 3.960 0.049 0.000 0.246 105 G C 0.369 175.313 174.900 0.072 0.000 1.219 105 G CA -0.403 44.712 45.100 0.026 0.000 0.866 105 G HN 1.037 nan 8.290 nan 0.000 0.572 106 R N -0.671 119.862 120.500 0.055 0.000 2.070 106 R HA -0.117 4.252 4.340 0.049 0.000 0.232 106 R C 2.753 179.143 176.300 0.149 0.000 1.138 106 R CA 2.193 58.350 56.100 0.096 0.000 0.936 106 R CB -0.798 29.536 30.300 0.057 0.000 0.839 106 R HN 0.596 nan 8.270 nan 0.000 0.429 107 T N 0.874 115.477 114.554 0.081 0.000 2.624 107 T HA -0.241 4.139 4.350 0.049 0.000 0.268 107 T C 1.560 176.299 174.700 0.064 0.000 1.041 107 T CA 1.885 64.020 62.100 0.059 0.000 1.159 107 T CB -0.724 68.151 68.868 0.012 0.000 0.863 107 T HN 0.415 nan 8.240 nan 0.000 0.434 108 N N 0.342 119.071 118.700 0.049 0.000 2.094 108 N HA -0.158 4.611 4.740 0.049 0.000 0.191 108 N C 1.626 177.186 175.510 0.083 0.000 1.023 108 N CA 1.643 54.711 53.050 0.031 0.000 0.857 108 N CB -0.402 38.092 38.487 0.011 0.000 1.013 108 N HN 0.623 nan 8.380 nan 0.000 0.426 109 W N 1.443 122.736 121.300 -0.012 0.000 2.355 109 W HA -0.127 4.563 4.660 0.048 0.000 0.309 109 W C 1.469 178.006 176.519 0.030 0.000 1.206 109 W CA 1.477 58.828 57.345 0.008 0.000 1.284 109 W CB -0.445 29.012 29.460 -0.005 0.000 1.145 109 W HN 0.211 nan 8.180 nan 0.000 0.502 110 E N 0.401 120.729 120.200 0.213 0.000 2.085 110 E HA -0.226 4.153 4.350 0.049 0.000 0.194 110 E C 2.288 178.871 176.600 -0.029 0.000 0.994 110 E CA 2.364 58.830 56.400 0.110 0.000 0.801 110 E CB -0.405 29.387 29.700 0.154 0.000 0.743 110 E HN 0.219 nan 8.360 nan 0.000 0.453 111 S N 0.412 116.091 115.700 -0.035 0.000 2.507 111 S HA -0.058 4.441 4.470 0.049 0.000 0.235 111 S C 0.893 175.435 174.600 -0.098 0.000 0.988 111 S CA 0.237 58.397 58.200 -0.067 0.000 0.944 111 S CB -0.417 62.737 63.200 -0.075 0.000 0.762 111 S HN 0.081 nan 8.310 nan 0.000 0.526 112 I N 2.644 123.123 120.570 -0.153 0.000 2.395 112 I HA 0.320 4.519 4.170 0.049 0.000 0.289 112 I C -2.375 173.678 176.117 -0.106 0.000 1.023 112 I CA -2.709 58.502 61.300 -0.148 0.000 1.350 112 I CB 0.690 38.540 38.000 -0.250 0.000 1.409 112 I HN -0.065 nan 8.210 nan 0.000 0.507 113 P HA 0.015 nan 4.420 nan 0.000 0.266 113 P C 0.018 177.287 177.300 -0.051 0.000 1.193 113 P CA 0.043 63.165 63.100 0.036 0.000 0.770 113 P CB 0.557 32.371 31.700 0.190 0.000 0.836 114 K N 2.324 122.663 120.400 -0.101 0.000 2.097 114 K HA -0.163 4.186 4.320 0.049 0.000 0.205 114 K C 1.813 178.326 176.600 -0.145 0.000 1.050 114 K CA 1.157 57.381 56.287 -0.106 0.000 0.938 114 K CB -0.145 32.314 32.500 -0.069 0.000 0.718 114 K HN 0.400 nan 8.250 nan 0.000 0.442 115 K N 0.575 120.812 120.400 -0.270 0.000 2.211 115 K HA -0.130 4.219 4.320 0.049 0.000 0.204 115 K C 0.954 177.310 176.600 -0.407 0.000 1.047 115 K CA 1.253 57.305 56.287 -0.392 0.000 0.935 115 K CB 0.049 32.188 32.500 -0.601 0.000 0.728 115 K HN 0.064 nan 8.250 nan 0.000 0.452 116 F N 1.072 120.988 119.950 -0.057 0.000 2.727 116 F HA 0.255 4.811 4.527 0.049 0.000 0.302 116 F C 0.836 176.586 175.800 -0.084 0.000 1.097 116 F CA -0.224 57.744 58.000 -0.054 0.000 1.330 116 F CB 0.002 38.971 39.000 -0.051 0.000 1.084 116 F HN -0.212 nan 8.300 nan 0.000 0.578 117 K N 1.774 122.175 120.400 0.001 0.000 2.339 117 K HA 0.002 4.351 4.320 0.049 0.000 0.260 117 K C -2.047 174.567 176.600 0.024 0.000 0.989 117 K CA -0.694 55.531 56.287 -0.103 0.000 0.888 117 K CB -0.379 31.979 32.500 -0.237 0.000 0.983 117 K HN -0.185 nan 8.250 nan 0.000 0.515 118 P HA -0.210 nan 4.420 nan 0.000 0.015 118 P C -0.814 176.563 177.300 0.128 0.000 0.539 118 P CA 0.630 63.874 63.100 0.240 0.000 1.035 118 P CB -0.742 31.085 31.700 0.213 0.000 1.908 119 L N 0.829 122.121 121.223 0.116 0.000 2.852 119 L HA -0.112 4.258 4.340 0.049 0.000 0.281 119 L C 1.336 178.243 176.870 0.062 0.000 1.110 119 L CA 0.454 55.343 54.840 0.081 0.000 1.030 119 L CB -0.595 41.513 42.059 0.081 0.000 1.405 119 L HN 0.403 nan 8.230 nan 0.000 0.464 120 S N 2.884 118.618 115.700 0.057 0.000 2.642 120 S HA -0.133 4.366 4.470 0.049 0.000 0.308 120 S C 0.866 175.474 174.600 0.014 0.000 1.255 120 S CA 0.259 58.482 58.200 0.039 0.000 1.057 120 S CB 0.024 63.249 63.200 0.043 0.000 0.785 120 S HN 0.904 nan 8.310 nan 0.000 0.500 121 N N 0.609 119.318 118.700 0.014 0.000 2.741 121 N HA -0.191 4.578 4.740 0.049 0.000 0.251 121 N C -0.716 174.801 175.510 0.012 0.000 1.112 121 N CA 0.782 53.833 53.050 0.003 0.000 0.750 121 N CB -0.653 37.825 38.487 -0.016 0.000 1.119 121 N HN 0.702 nan 8.380 nan 0.000 0.561 122 R N 0.582 121.101 120.500 0.031 0.000 2.514 122 R HA 0.387 4.756 4.340 0.049 0.000 0.296 122 R C -0.381 175.964 176.300 0.076 0.000 1.012 122 R CA -0.641 55.492 56.100 0.054 0.000 0.897 122 R CB 1.305 31.629 30.300 0.040 0.000 1.184 122 R HN 0.116 nan 8.270 nan 0.000 0.440 123 I N 3.626 124.249 120.570 0.089 0.000 2.725 123 I HA -0.091 4.108 4.170 0.049 0.000 0.296 123 I C 0.312 176.497 176.117 0.114 0.000 1.155 123 I CA 0.346 61.709 61.300 0.106 0.000 1.450 123 I CB -0.497 37.578 38.000 0.125 0.000 1.478 123 I HN 0.390 nan 8.210 nan 0.000 0.642 124 N N 5.560 124.321 118.700 0.102 0.000 2.454 124 N HA 0.222 4.991 4.740 0.049 0.000 0.254 124 N C -0.503 175.047 175.510 0.067 0.000 1.228 124 N CA 0.249 53.364 53.050 0.109 0.000 0.900 124 N CB 1.878 40.451 38.487 0.144 0.000 1.089 124 N HN 0.227 nan 8.380 nan 0.000 0.449 125 V N 2.880 122.813 119.914 0.032 0.000 2.932 125 V HA 0.506 4.655 4.120 0.049 0.000 0.307 125 V C -0.350 175.691 176.094 -0.089 0.000 1.147 125 V CA -0.687 61.603 62.300 -0.015 0.000 0.951 125 V CB 2.208 34.036 31.823 0.009 0.000 1.031 125 V HN 0.456 nan 8.190 nan 0.000 0.426 126 I N 4.068 124.529 120.570 -0.183 0.000 2.582 126 I HA 0.499 4.698 4.170 0.049 0.000 0.292 126 I C -1.417 174.625 176.117 -0.125 0.000 1.066 126 I CA -0.824 60.351 61.300 -0.209 0.000 1.053 126 I CB 2.262 39.955 38.000 -0.511 0.000 1.241 126 I HN 0.313 nan 8.210 nan 0.000 0.421 127 L N 4.593 125.781 121.223 -0.058 0.000 2.272 127 L HA 0.652 5.021 4.340 0.049 0.000 0.289 127 L C -0.022 176.825 176.870 -0.038 0.000 1.032 127 L CA 0.413 55.233 54.840 -0.033 0.000 0.810 127 L CB 1.366 43.431 42.059 0.009 0.000 1.205 127 L HN 0.668 nan 8.230 nan 0.000 0.422 128 S N 2.743 118.419 115.700 -0.040 0.000 2.611 128 S HA 0.601 5.100 4.470 0.049 0.000 0.268 128 S C -0.187 174.402 174.600 -0.018 0.000 1.156 128 S CA -0.677 57.509 58.200 -0.023 0.000 0.817 128 S CB 1.136 64.324 63.200 -0.021 0.000 1.122 128 S HN 0.632 nan 8.310 nan 0.000 0.466 129 R N 0.556 121.051 120.500 -0.007 0.000 2.572 129 R HA 0.210 4.579 4.340 0.049 0.000 0.370 129 R C 0.831 177.132 176.300 0.002 0.000 1.005 129 R CA 0.646 56.742 56.100 -0.007 0.000 1.146 129 R CB 0.669 30.963 30.300 -0.010 0.000 1.390 129 R HN 0.762 nan 8.270 nan 0.000 0.553 130 T N -2.954 111.607 114.554 0.011 0.000 3.010 130 T HA 0.273 4.652 4.350 0.049 0.000 0.252 130 T C 0.627 175.346 174.700 0.032 0.000 0.963 130 T CA -0.242 61.869 62.100 0.018 0.000 0.952 130 T CB 0.232 69.113 68.868 0.023 0.000 1.182 130 T HN -0.072 nan 8.240 nan 0.000 0.495 131 L N 3.494 124.749 121.223 0.054 0.000 2.418 131 L HA 0.352 4.721 4.340 0.049 0.000 0.274 131 L C 0.073 177.002 176.870 0.098 0.000 1.135 131 L CA -0.434 54.477 54.840 0.117 0.000 0.870 131 L CB 0.566 42.744 42.059 0.197 0.000 1.154 131 L HN 0.313 nan 8.230 nan 0.000 0.462 132 K N 3.820 124.267 120.400 0.077 0.000 2.234 132 K HA 0.302 4.651 4.320 0.049 0.000 0.277 132 K C 0.249 176.908 176.600 0.098 0.000 1.038 132 K CA -0.840 55.479 56.287 0.053 0.000 0.888 132 K CB 1.585 34.089 32.500 0.006 0.000 1.091 132 K HN 0.410 nan 8.250 nan 0.000 0.467 133 K N 2.170 122.630 120.400 0.102 0.000 2.148 133 K HA -0.327 4.022 4.320 0.049 0.000 0.213 133 K C 1.697 178.356 176.600 0.098 0.000 1.050 133 K CA 2.334 58.690 56.287 0.116 0.000 0.932 133 K CB -0.218 32.320 32.500 0.063 0.000 0.717 133 K HN 0.773 nan 8.250 nan 0.000 0.462 134 E N 2.259 122.482 120.200 0.038 0.000 2.026 134 E HA -0.262 4.117 4.350 0.049 0.000 0.206 134 E C 1.404 177.985 176.600 -0.030 0.000 1.028 134 E CA 2.173 58.575 56.400 0.004 0.000 0.845 134 E CB -0.971 28.720 29.700 -0.015 0.000 0.772 134 E HN 0.580 nan 8.360 nan 0.000 0.462 135 D N 0.069 120.403 120.400 -0.109 0.000 2.417 135 D HA -0.072 4.597 4.640 0.049 0.000 0.240 135 D C -0.257 175.797 176.300 -0.409 0.000 1.062 135 D CA 0.412 54.263 54.000 -0.249 0.000 0.959 135 D CB -0.535 40.065 40.800 -0.332 0.000 0.877 135 D HN 0.015 nan 8.370 nan 0.000 0.528 136 F N 0.315 120.238 119.950 -0.046 0.000 2.593 136 F HA 0.302 4.858 4.527 0.049 0.000 0.320 136 F C 0.827 176.589 175.800 -0.062 0.000 1.060 136 F CA -1.630 56.333 58.000 -0.062 0.000 0.940 136 F CB 1.196 40.124 39.000 -0.120 0.000 1.268 136 F HN -0.292 nan 8.300 nan 0.000 0.475 137 D N 0.783 121.315 120.400 0.220 0.000 2.335 137 D HA -0.023 4.646 4.640 0.049 0.000 0.236 137 D C 0.788 177.077 176.300 -0.018 0.000 1.297 137 D CA 0.465 54.506 54.000 0.068 0.000 0.906 137 D CB 0.635 41.462 40.800 0.045 0.000 1.164 137 D HN 0.594 nan 8.370 nan 0.000 0.469 138 E N -0.106 120.058 120.200 -0.061 0.000 2.158 138 E HA -0.094 4.285 4.350 0.049 0.000 0.191 138 E C 1.279 177.704 176.600 -0.291 0.000 0.982 138 E CA 0.691 57.023 56.400 -0.114 0.000 0.823 138 E CB 0.213 29.873 29.700 -0.067 0.000 0.766 138 E HN 0.340 nan 8.360 nan 0.000 0.468 139 D N 0.511 120.750 120.400 -0.267 0.000 2.081 139 D HA -0.099 4.570 4.640 0.049 0.000 0.194 139 D C 0.446 176.381 176.300 -0.609 0.000 0.986 139 D CA 0.761 54.522 54.000 -0.398 0.000 0.837 139 D CB -0.343 40.352 40.800 -0.174 0.000 0.985 139 D HN -0.027 nan 8.370 nan 0.000 0.448 140 V N 3.063 122.771 119.914 -0.344 0.000 2.500 140 V HA -0.158 3.991 4.120 0.049 0.000 0.267 140 V C 0.061 175.899 176.094 -0.426 0.000 0.977 140 V CA 0.404 62.482 62.300 -0.371 0.000 1.151 140 V CB -1.831 29.751 31.823 -0.401 0.000 1.013 140 V HN 0.007 nan 8.190 nan 0.000 0.467 141 Y N 4.788 124.964 120.300 -0.207 0.000 2.281 141 Y HA 0.626 5.205 4.550 0.049 0.000 0.337 141 Y C 0.603 176.346 175.900 -0.262 0.000 1.304 141 Y CA -0.579 57.412 58.100 -0.181 0.000 1.465 141 Y CB 0.635 39.016 38.460 -0.131 0.000 1.350 141 Y HN 0.401 nan 8.280 nan 0.000 0.575 142 I N 2.063 122.636 120.570 0.005 0.000 2.841 142 I HA 0.440 4.639 4.170 0.049 0.000 0.298 142 I C -1.035 175.057 176.117 -0.041 0.000 1.304 142 I CA -0.945 60.301 61.300 -0.091 0.000 1.019 142 I CB 2.456 40.391 38.000 -0.109 0.000 1.282 142 I HN 0.502 nan 8.210 nan 0.000 0.432 143 I N 0.238 120.775 120.570 -0.056 0.000 3.174 143 I HA 0.572 4.771 4.170 0.049 0.000 0.313 143 I C -0.353 175.738 176.117 -0.043 0.000 1.155 143 I CA -0.812 60.459 61.300 -0.047 0.000 0.977 143 I CB 2.264 40.230 38.000 -0.057 0.000 1.248 143 I HN 0.428 nan 8.210 nan 0.000 0.453 144 N N 1.204 119.879 118.700 -0.042 0.000 2.402 144 N HA 0.176 4.945 4.740 0.049 0.000 0.174 144 N C -0.072 175.409 175.510 -0.048 0.000 1.027 144 N CA 0.679 53.706 53.050 -0.038 0.000 0.891 144 N CB 0.467 38.934 38.487 -0.033 0.000 1.016 144 N HN 0.508 nan 8.380 nan 0.000 0.439 145 K N -0.625 119.738 120.400 -0.061 0.000 2.615 145 K HA 0.188 4.538 4.320 0.049 0.000 0.291 145 K C 0.842 177.377 176.600 -0.109 0.000 1.017 145 K CA -0.454 55.784 56.287 -0.082 0.000 0.882 145 K CB 1.704 34.157 32.500 -0.078 0.000 1.522 145 K HN -0.362 nan 8.250 nan 0.000 0.412 146 V N 1.507 121.320 119.914 -0.168 0.000 2.223 146 V HA -0.364 3.786 4.120 0.049 0.000 0.253 146 V C 1.699 177.689 176.094 -0.173 0.000 1.061 146 V CA 2.465 64.609 62.300 -0.261 0.000 1.035 146 V CB -0.671 30.925 31.823 -0.379 0.000 0.653 146 V HN 0.834 nan 8.190 nan 0.000 0.454 147 E N -0.027 120.088 120.200 -0.142 0.000 2.233 147 E HA -0.253 4.126 4.350 0.049 0.000 0.199 147 E C 1.883 178.424 176.600 -0.099 0.000 1.004 147 E CA 1.387 57.724 56.400 -0.105 0.000 0.819 147 E CB -0.319 29.333 29.700 -0.080 0.000 0.738 147 E HN 0.650 nan 8.360 nan 0.000 0.478 148 D N 0.310 120.654 120.400 -0.094 0.000 2.219 148 D HA -0.117 4.552 4.640 0.049 0.000 0.205 148 D C 1.929 178.159 176.300 -0.117 0.000 0.970 148 D CA 0.466 54.411 54.000 -0.092 0.000 0.851 148 D CB -0.024 40.730 40.800 -0.077 0.000 0.943 148 D HN 0.120 nan 8.370 nan 0.000 0.488 149 L N 1.430 122.586 121.223 -0.111 0.000 1.989 149 L HA -0.206 4.163 4.340 0.049 0.000 0.211 149 L C 2.132 178.868 176.870 -0.223 0.000 1.071 149 L CA 1.400 56.161 54.840 -0.131 0.000 0.749 149 L CB -0.532 41.508 42.059 -0.031 0.000 0.890 149 L HN -0.055 nan 8.230 nan 0.000 0.431 150 I N -0.813 119.601 120.570 -0.260 0.000 2.236 150 I HA -0.304 3.895 4.170 0.049 0.000 0.249 150 I C 2.541 178.438 176.117 -0.368 0.000 1.102 150 I CA 1.429 62.448 61.300 -0.469 0.000 1.365 150 I CB -1.603 36.153 38.000 -0.407 0.000 1.051 150 I HN 0.178 nan 8.210 nan 0.000 0.420 151 V N 0.700 120.489 119.914 -0.208 0.000 2.307 151 V HA -0.227 3.923 4.120 0.049 0.000 0.245 151 V C 2.492 178.500 176.094 -0.144 0.000 1.045 151 V CA 1.389 63.612 62.300 -0.129 0.000 1.024 151 V CB -0.713 31.052 31.823 -0.095 0.000 0.651 151 V HN 0.335 nan 8.190 nan 0.000 0.449 152 L N -0.321 120.776 121.223 -0.211 0.000 2.201 152 L HA -0.050 4.319 4.340 0.049 0.000 0.212 152 L C 2.036 178.735 176.870 -0.284 0.000 1.105 152 L CA 1.697 56.365 54.840 -0.287 0.000 0.775 152 L CB -0.570 41.252 42.059 -0.396 0.000 0.913 152 L HN 0.219 nan 8.230 nan 0.000 0.440 153 L N -1.012 120.044 121.223 -0.279 0.000 2.217 153 L HA 0.013 4.382 4.340 0.049 0.000 0.211 153 L C 2.397 179.359 176.870 0.154 0.000 1.107 153 L CA 0.892 55.580 54.840 -0.254 0.000 0.783 153 L CB -1.073 40.800 42.059 -0.311 0.000 0.919 153 L HN 0.417 nan 8.230 nan 0.000 0.442 154 G N -0.057 108.835 108.800 0.153 0.000 2.511 154 G HA2 -0.139 3.850 3.960 0.049 0.000 0.217 154 G HA3 -0.139 3.850 3.960 0.049 0.000 0.217 154 G C 1.362 176.365 174.900 0.171 0.000 1.133 154 G CA 0.081 45.356 45.100 0.293 0.000 0.792 154 G HN 0.296 nan 8.290 nan 0.000 0.539 155 K N -0.219 120.222 120.400 0.068 0.000 2.493 155 K HA 0.457 4.806 4.320 0.049 0.000 0.207 155 K C -0.329 176.297 176.600 0.043 0.000 1.033 155 K CA -0.132 56.180 56.287 0.041 0.000 1.161 155 K CB 0.380 32.871 32.500 -0.015 0.000 0.873 155 K HN 0.192 nan 8.250 nan 0.000 0.491 156 L N 0.086 121.370 121.223 0.101 0.000 2.359 156 L HA 0.363 4.732 4.340 0.049 0.000 0.256 156 L C -0.854 176.199 176.870 0.306 0.000 1.026 156 L CA -1.060 53.859 54.840 0.132 0.000 0.828 156 L CB 2.153 44.204 42.059 -0.014 0.000 1.406 156 L HN 0.031 nan 8.230 nan 0.000 0.413 157 N N 1.694 120.550 118.700 0.260 0.000 2.609 157 N HA 0.351 5.120 4.740 0.049 0.000 0.234 157 N C -1.708 173.911 175.510 0.181 0.000 1.001 157 N CA -0.157 53.034 53.050 0.235 0.000 0.926 157 N CB 1.059 39.618 38.487 0.120 0.000 1.130 157 N HN 0.352 nan 8.380 nan 0.000 0.510 158 Y N 0.296 120.569 120.300 -0.045 0.000 2.581 158 Y HA 0.371 4.950 4.550 0.048 0.000 0.345 158 Y C 0.073 175.954 175.900 -0.032 0.000 1.036 158 Y CA -1.241 56.822 58.100 -0.062 0.000 1.042 158 Y CB 0.350 38.817 38.460 0.012 0.000 1.289 158 Y HN 0.183 nan 8.280 nan 0.000 0.471 159 Y N 1.914 122.069 120.300 -0.242 0.000 2.159 159 Y HA 0.425 5.004 4.550 0.049 0.000 0.285 159 Y C -0.122 175.640 175.900 -0.231 0.000 1.106 159 Y CA 0.875 58.832 58.100 -0.239 0.000 1.095 159 Y CB 0.273 38.642 38.460 -0.151 0.000 1.015 159 Y HN 0.628 nan 8.280 nan 0.000 0.491 160 K N -0.981 119.337 120.400 -0.136 0.000 2.435 160 K HA 0.415 4.764 4.320 0.049 0.000 0.251 160 K C -1.792 174.745 176.600 -0.105 0.000 0.954 160 K CA -0.951 55.168 56.287 -0.281 0.000 0.820 160 K CB 2.419 34.648 32.500 -0.451 0.000 1.292 160 K HN 0.102 nan 8.250 nan 0.000 0.436 161 C N 2.868 122.058 119.300 -0.183 0.000 2.281 161 C HA 0.602 5.091 4.460 0.049 0.000 0.323 161 C C -1.151 173.671 174.990 -0.280 0.000 1.270 161 C CA -0.666 58.278 59.018 -0.124 0.000 1.559 161 C CB -1.107 26.616 27.740 -0.027 0.000 2.239 161 C HN 0.597 nan 8.230 nan 0.000 0.488 162 F N 6.508 126.500 119.950 0.071 0.000 2.436 162 F HA 0.546 5.103 4.527 0.048 0.000 0.340 162 F C 0.495 176.311 175.800 0.028 0.000 1.113 162 F CA -1.074 56.974 58.000 0.080 0.000 1.022 162 F CB 1.092 40.127 39.000 0.058 0.000 1.128 162 F HN 0.314 nan 8.300 nan 0.000 0.466 163 I N 5.887 126.598 120.570 0.235 0.000 2.276 163 I HA 0.112 4.311 4.170 0.049 0.000 0.290 163 I C 0.926 177.187 176.117 0.240 0.000 1.109 163 I CA 0.110 61.448 61.300 0.063 0.000 1.229 163 I CB 0.251 38.170 38.000 -0.136 0.000 1.452 163 I HN 0.706 nan 8.210 nan 0.000 0.497 164 L N 4.440 125.791 121.223 0.212 0.000 2.376 164 L HA 0.062 4.431 4.340 0.049 0.000 0.219 164 L C 1.860 178.756 176.870 0.043 0.000 1.133 164 L CA 0.481 55.478 54.840 0.262 0.000 0.816 164 L CB -0.699 41.536 42.059 0.292 0.000 0.933 164 L HN 0.775 nan 8.230 nan 0.000 0.449 165 G N 0.360 109.072 108.800 -0.146 0.000 2.551 165 G HA2 -0.114 3.875 3.960 0.049 0.000 0.383 165 G HA3 -0.114 3.875 3.960 0.049 0.000 0.383 165 G C 0.265 174.867 174.900 -0.497 0.000 1.370 165 G CA 0.023 44.826 45.100 -0.494 0.000 0.940 165 G HN 0.711 nan 8.290 nan 0.000 0.524 166 G N -3.377 104.966 108.800 -0.760 0.000 2.489 166 G HA2 0.655 4.645 3.960 0.049 0.000 0.291 166 G HA3 0.655 4.645 3.960 0.049 0.000 0.291 166 G C 0.759 175.477 174.900 -0.304 0.000 1.487 166 G CA 0.845 45.732 45.100 -0.355 0.000 0.795 166 G HN 1.941 nan 8.290 nan 0.000 0.513 167 S N -0.804 114.879 115.700 -0.028 0.000 2.372 167 S HA -0.218 4.281 4.470 0.049 0.000 0.227 167 S C 2.265 176.880 174.600 0.025 0.000 1.044 167 S CA 2.409 60.659 58.200 0.082 0.000 1.050 167 S CB -0.657 62.576 63.200 0.055 0.000 0.901 167 S HN 0.968 nan 8.310 nan 0.000 0.447 168 V N 1.896 121.800 119.914 -0.017 0.000 2.270 168 V HA -0.128 4.021 4.120 0.049 0.000 0.245 168 V C 2.719 178.808 176.094 -0.008 0.000 1.043 168 V CA 1.617 63.910 62.300 -0.010 0.000 1.014 168 V CB -1.126 30.687 31.823 -0.017 0.000 0.645 168 V HN 0.478 nan 8.190 nan 0.000 0.447 169 V N -0.757 119.135 119.914 -0.037 0.000 2.252 169 V HA -0.315 3.834 4.120 0.049 0.000 0.249 169 V C 2.308 178.512 176.094 0.184 0.000 1.056 169 V CA 2.295 64.629 62.300 0.056 0.000 1.022 169 V CB -0.972 30.837 31.823 -0.023 0.000 0.641 169 V HN 0.461 nan 8.190 nan 0.000 0.445 170 Y N 0.462 120.808 120.300 0.077 0.000 2.070 170 Y HA -0.301 4.279 4.550 0.049 0.000 0.280 170 Y C 2.717 178.571 175.900 -0.078 0.000 1.148 170 Y CA 1.814 59.881 58.100 -0.055 0.000 1.125 170 Y CB -1.295 36.921 38.460 -0.407 0.000 0.975 170 Y HN 0.248 nan 8.280 nan 0.000 0.492 171 Q N 0.945 120.778 119.800 0.054 0.000 2.012 171 Q HA -0.296 4.073 4.340 0.049 0.000 0.211 171 Q C 2.105 178.127 176.000 0.036 0.000 1.009 171 Q CA 2.745 58.553 55.803 0.009 0.000 0.866 171 Q CB -0.550 28.195 28.738 0.013 0.000 0.945 171 Q HN 0.698 nan 8.270 nan 0.000 0.414 172 E N -1.265 118.947 120.200 0.021 0.000 2.058 172 E HA -0.211 4.168 4.350 0.049 0.000 0.194 172 E C 1.911 178.495 176.600 -0.026 0.000 0.997 172 E CA 1.345 57.721 56.400 -0.041 0.000 0.801 172 E CB -0.824 28.794 29.700 -0.137 0.000 0.746 172 E HN 0.417 nan 8.360 nan 0.000 0.450 173 F N 1.030 120.997 119.950 0.029 0.000 2.373 173 F HA -0.061 4.495 4.527 0.048 0.000 0.300 173 F C 2.032 177.880 175.800 0.079 0.000 1.080 173 F CA 1.062 59.096 58.000 0.057 0.000 1.417 173 F CB -0.023 39.028 39.000 0.085 0.000 1.070 173 F HN 0.009 nan 8.300 nan 0.000 0.546 174 L N -1.147 120.206 121.223 0.215 0.000 2.200 174 L HA -0.051 4.318 4.340 0.049 0.000 0.200 174 L C 2.166 179.127 176.870 0.152 0.000 1.072 174 L CA 0.685 55.624 54.840 0.165 0.000 0.787 174 L CB -0.534 41.559 42.059 0.057 0.000 0.957 174 L HN -0.005 nan 8.230 nan 0.000 0.459 175 E N 0.796 121.052 120.200 0.094 0.000 2.160 175 E HA -0.217 4.162 4.350 0.049 0.000 0.195 175 E C 1.174 177.816 176.600 0.071 0.000 0.991 175 E CA 1.017 57.459 56.400 0.071 0.000 0.810 175 E CB -0.036 29.684 29.700 0.033 0.000 0.742 175 E HN 0.387 nan 8.360 nan 0.000 0.466 176 K N 1.174 121.612 120.400 0.064 0.000 2.551 176 K HA 0.047 4.396 4.320 0.049 0.000 0.204 176 K C -0.444 176.220 176.600 0.108 0.000 1.033 176 K CA -0.079 56.240 56.287 0.053 0.000 1.187 176 K CB 0.334 32.825 32.500 -0.014 0.000 0.900 176 K HN -0.079 nan 8.250 nan 0.000 0.499 177 K N 0.825 121.317 120.400 0.153 0.000 3.415 177 K HA -0.212 4.137 4.320 0.049 0.000 0.271 177 K C 0.369 177.089 176.600 0.200 0.000 0.876 177 K CA 0.701 57.103 56.287 0.192 0.000 0.670 177 K CB -1.932 30.645 32.500 0.128 0.000 1.510 177 K HN 0.399 nan 8.250 nan 0.000 0.455 178 L N -0.474 120.900 121.223 0.251 0.000 2.556 178 L HA 0.157 4.526 4.340 0.049 0.000 0.226 178 L C 0.834 177.861 176.870 0.263 0.000 1.089 178 L CA -0.215 54.780 54.840 0.259 0.000 0.864 178 L CB 0.153 42.430 42.059 0.362 0.000 1.067 178 L HN 0.152 nan 8.230 nan 0.000 0.477 179 I N 0.665 121.431 120.570 0.327 0.000 2.395 179 I HA 0.050 4.249 4.170 0.049 0.000 0.289 179 I C 0.981 177.357 176.117 0.432 0.000 1.023 179 I CA 0.522 62.029 61.300 0.344 0.000 1.350 179 I CB 1.518 39.708 38.000 0.317 0.000 1.409 179 I HN 0.105 nan 8.210 nan 0.000 0.507 180 K N 4.634 125.263 120.400 0.381 0.000 2.161 180 K HA 0.173 4.522 4.320 0.049 0.000 0.205 180 K C 0.238 177.155 176.600 0.528 0.000 1.035 180 K CA 0.712 57.231 56.287 0.387 0.000 0.970 180 K CB 0.586 33.251 32.500 0.275 0.000 0.866 180 K HN 0.458 nan 8.250 nan 0.000 0.461 181 K N 0.607 121.413 120.400 0.677 0.000 2.435 181 K HA 0.456 4.805 4.320 0.049 0.000 0.251 181 K C -1.090 175.783 176.600 0.455 0.000 0.954 181 K CA -0.635 55.931 56.287 0.464 0.000 0.820 181 K CB 2.465 35.082 32.500 0.195 0.000 1.292 181 K HN 0.009 nan 8.250 nan 0.000 0.436 182 I N 2.204 122.950 120.570 0.294 0.000 2.418 182 I HA 0.257 4.457 4.170 0.049 0.000 0.287 182 I C -1.135 175.114 176.117 0.220 0.000 1.008 182 I CA -0.897 60.597 61.300 0.324 0.000 1.104 182 I CB 1.028 39.163 38.000 0.224 0.000 1.264 182 I HN 0.464 nan 8.210 nan 0.000 0.438 183 Y N 5.920 126.387 120.300 0.278 0.000 2.751 183 Y HA 0.303 4.882 4.550 0.049 0.000 0.333 183 Y C -0.247 175.826 175.900 0.289 0.000 1.122 183 Y CA -0.597 57.675 58.100 0.287 0.000 1.367 183 Y CB 0.148 38.735 38.460 0.213 0.000 1.242 183 Y HN 0.383 nan 8.280 nan 0.000 0.505 184 F N 2.363 122.444 119.950 0.218 0.000 2.411 184 F HA 0.368 4.925 4.527 0.050 0.000 0.355 184 F C 0.347 176.196 175.800 0.082 0.000 1.117 184 F CA -0.696 57.360 58.000 0.093 0.000 1.139 184 F CB 0.750 39.821 39.000 0.117 0.000 1.120 184 F HN 0.161 nan 8.300 nan 0.000 0.493 185 T N 6.981 121.662 114.554 0.211 0.000 2.744 185 T HA 0.364 4.743 4.350 0.049 0.000 0.291 185 T C 0.027 174.761 174.700 0.057 0.000 0.957 185 T CA -0.609 61.554 62.100 0.105 0.000 1.002 185 T CB 0.368 69.291 68.868 0.092 0.000 0.919 185 T HN 0.418 nan 8.240 nan 0.000 0.468 186 R N 3.170 123.584 120.500 -0.142 0.000 2.230 186 R HA 0.319 4.688 4.340 0.049 0.000 0.337 186 R C -0.273 175.863 176.300 -0.273 0.000 1.063 186 R CA -0.712 55.187 56.100 -0.335 0.000 0.935 186 R CB 0.474 30.218 30.300 -0.927 0.000 1.121 186 R HN 0.468 nan 8.270 nan 0.000 0.486 187 I N 3.073 123.605 120.570 -0.063 0.000 2.379 187 I HA -0.007 4.193 4.170 0.049 0.000 0.290 187 I C 0.523 176.779 176.117 0.231 0.000 1.063 187 I CA -0.277 60.974 61.300 -0.081 0.000 1.351 187 I CB 0.514 38.307 38.000 -0.346 0.000 1.410 187 I HN 0.426 nan 8.210 nan 0.000 0.505 188 N N 5.630 124.441 118.700 0.185 0.000 3.298 188 N HA 0.177 4.946 4.740 0.049 0.000 0.292 188 N C -0.920 174.693 175.510 0.171 0.000 1.271 188 N CA -0.038 53.180 53.050 0.280 0.000 1.184 188 N CB 0.189 38.813 38.487 0.228 0.000 1.452 188 N HN 0.667 nan 8.380 nan 0.000 0.534 189 S N -1.277 114.531 115.700 0.179 0.000 2.587 189 S HA 0.454 4.953 4.470 0.049 0.000 0.269 189 S C -0.705 173.947 174.600 0.086 0.000 1.154 189 S CA -0.968 57.288 58.200 0.092 0.000 0.824 189 S CB 1.257 64.521 63.200 0.107 0.000 1.118 189 S HN 0.045 nan 8.310 nan 0.000 0.462 190 T N 1.838 116.312 114.554 -0.133 0.000 2.859 190 T HA 0.761 5.140 4.350 0.049 0.000 0.281 190 T C -1.527 172.998 174.700 -0.290 0.000 1.005 190 T CA -0.121 61.940 62.100 -0.066 0.000 1.025 190 T CB 0.314 69.151 68.868 -0.052 0.000 0.977 190 T HN 0.543 nan 8.240 nan 0.000 0.458 191 Y N -0.091 120.290 120.300 0.134 0.000 2.655 191 Y HA 0.417 4.997 4.550 0.049 0.000 0.336 191 Y C 0.051 176.028 175.900 0.129 0.000 1.154 191 Y CA -1.340 56.846 58.100 0.144 0.000 1.055 191 Y CB 1.346 39.933 38.460 0.212 0.000 1.295 191 Y HN 0.565 nan 8.280 nan 0.000 0.465 192 E N 1.066 121.431 120.200 0.275 0.000 2.313 192 E HA 0.598 4.977 4.350 0.049 0.000 0.276 192 E C -1.438 175.264 176.600 0.168 0.000 1.031 192 E CA -0.126 56.387 56.400 0.189 0.000 0.857 192 E CB 0.615 30.392 29.700 0.129 0.000 1.040 192 E HN 0.641 nan 8.360 nan 0.000 0.408 193 C N 2.990 122.396 119.300 0.177 0.000 2.994 193 C HA 0.302 4.792 4.460 0.049 0.000 0.304 193 C C 0.026 174.986 174.990 -0.049 0.000 1.273 193 C CA -0.568 58.474 59.018 0.039 0.000 1.537 193 C CB 1.463 29.245 27.740 0.070 0.000 2.001 193 C HN 0.972 nan 8.230 nan 0.000 0.471 194 D N -0.513 119.699 120.400 -0.313 0.000 2.489 194 D HA 0.201 4.870 4.640 0.049 0.000 0.231 194 D C -0.021 175.903 176.300 -0.627 0.000 1.114 194 D CA 0.274 54.109 54.000 -0.275 0.000 0.842 194 D CB 0.104 40.837 40.800 -0.113 0.000 1.133 194 D HN 0.427 nan 8.370 nan 0.000 0.506 195 V N -1.176 118.172 119.914 -0.943 0.000 2.709 195 V HA 0.795 4.944 4.120 0.049 0.000 0.308 195 V C -1.389 174.116 176.094 -0.982 0.000 1.062 195 V CA -1.120 60.716 62.300 -0.773 0.000 0.901 195 V CB 1.337 32.988 31.823 -0.286 0.000 1.003 195 V HN -0.035 nan 8.190 nan 0.000 0.425 196 F N 2.920 122.947 119.950 0.128 0.000 2.556 196 F HA 0.619 5.176 4.527 0.050 0.000 0.314 196 F C -0.377 175.565 175.800 0.236 0.000 1.106 196 F CA -1.120 56.985 58.000 0.176 0.000 0.911 196 F CB 1.672 40.759 39.000 0.145 0.000 1.190 196 F HN 0.611 nan 8.300 nan 0.000 0.448 197 F N 6.217 126.333 119.950 0.278 0.000 2.602 197 F HA 0.230 4.786 4.527 0.048 0.000 0.385 197 F C -1.656 174.303 175.800 0.265 0.000 1.063 197 F CA -1.874 56.244 58.000 0.196 0.000 1.233 197 F CB 0.217 39.237 39.000 0.034 0.000 1.067 197 F HN 0.251 nan 8.300 nan 0.000 0.564 198 P HA -0.124 nan 4.420 nan 0.000 0.267 198 P C -0.936 176.569 177.300 0.341 0.000 1.201 198 P CA -0.081 63.102 63.100 0.138 0.000 0.775 198 P CB 0.432 32.093 31.700 -0.066 0.000 0.854 199 E N 2.390 122.753 120.200 0.273 0.000 2.265 199 E HA 0.127 4.506 4.350 0.049 0.000 0.272 199 E C -0.051 176.623 176.600 0.124 0.000 1.067 199 E CA -0.436 56.075 56.400 0.184 0.000 0.900 199 E CB -0.148 29.387 29.700 -0.276 0.000 1.017 199 E HN 0.301 nan 8.360 nan 0.000 0.431 200 I N 4.475 125.143 120.570 0.164 0.000 2.618 200 I HA -0.061 4.138 4.170 0.049 0.000 0.284 200 I C 0.858 177.049 176.117 0.124 0.000 1.146 200 I CA -0.048 61.307 61.300 0.092 0.000 1.425 200 I CB 0.305 38.270 38.000 -0.058 0.000 1.383 200 I HN 0.531 nan 8.210 nan 0.000 0.562 201 N N 6.377 125.180 118.700 0.172 0.000 2.415 201 N HA 0.010 4.780 4.740 0.049 0.000 0.250 201 N C 0.828 176.457 175.510 0.198 0.000 1.127 201 N CA 0.120 53.267 53.050 0.162 0.000 0.945 201 N CB 0.666 39.249 38.487 0.160 0.000 1.196 201 N HN 0.534 nan 8.380 nan 0.000 0.499 202 E N 1.989 122.286 120.200 0.160 0.000 2.284 202 E HA -0.200 4.179 4.350 0.049 0.000 0.200 202 E C 0.646 177.322 176.600 0.126 0.000 1.008 202 E CA 0.927 57.425 56.400 0.163 0.000 0.829 202 E CB 0.200 29.976 29.700 0.127 0.000 0.744 202 E HN 0.590 nan 8.360 nan 0.000 0.491 203 N N 0.383 119.142 118.700 0.098 0.000 2.457 203 N HA -0.076 4.694 4.740 0.049 0.000 0.180 203 N C 1.161 176.694 175.510 0.038 0.000 1.050 203 N CA 0.749 53.835 53.050 0.061 0.000 0.906 203 N CB 0.253 38.769 38.487 0.048 0.000 0.968 203 N HN 0.358 nan 8.380 nan 0.000 0.445 204 E N -0.916 119.320 120.200 0.060 0.000 2.290 204 E HA 0.097 4.477 4.350 0.049 0.000 0.199 204 E C -0.370 176.075 176.600 -0.260 0.000 0.912 204 E CA 0.287 56.640 56.400 -0.079 0.000 0.924 204 E CB 0.509 30.201 29.700 -0.014 0.000 0.901 204 E HN 0.197 nan 8.360 nan 0.000 0.487 205 Y N 1.311 121.690 120.300 0.133 0.000 2.376 205 Y HA 0.271 4.850 4.550 0.048 0.000 0.340 205 Y C -0.262 175.791 175.900 0.254 0.000 0.965 205 Y CA -0.930 57.287 58.100 0.194 0.000 1.078 205 Y CB 1.763 40.339 38.460 0.194 0.000 1.193 205 Y HN -0.106 nan 8.280 nan 0.000 0.452 206 Q N 1.834 121.838 119.800 0.340 0.000 2.421 206 Q HA 0.686 5.055 4.340 0.049 0.000 0.280 206 Q C -1.555 174.467 176.000 0.036 0.000 1.085 206 Q CA -1.041 54.878 55.803 0.194 0.000 0.807 206 Q CB 2.427 31.213 28.738 0.081 0.000 1.405 206 Q HN 0.660 nan 8.270 nan 0.000 0.419 207 I N 2.890 123.354 120.570 -0.176 0.000 2.496 207 I HA 0.102 4.301 4.170 0.049 0.000 0.285 207 I C 0.826 176.825 176.117 -0.197 0.000 1.080 207 I CA -0.144 60.951 61.300 -0.341 0.000 1.404 207 I CB 0.577 38.313 38.000 -0.439 0.000 1.403 207 I HN 0.761 nan 8.210 nan 0.000 0.539 208 I N 0.613 121.070 120.570 -0.188 0.000 4.288 208 I HA 0.351 4.550 4.170 0.049 0.000 0.331 208 I C 0.229 176.225 176.117 -0.201 0.000 1.322 208 I CA 0.083 61.280 61.300 -0.173 0.000 1.149 208 I CB 0.552 38.471 38.000 -0.135 0.000 1.112 208 I HN 0.350 nan 8.210 nan 0.000 0.403 209 S N 1.198 116.787 115.700 -0.184 0.000 2.537 209 S HA 0.695 5.194 4.470 0.049 0.000 0.270 209 S C -0.730 173.790 174.600 -0.133 0.000 1.142 209 S CA -0.601 57.507 58.200 -0.153 0.000 0.870 209 S CB 2.763 65.934 63.200 -0.049 0.000 1.112 209 S HN 0.224 nan 8.310 nan 0.000 0.466 210 V N 0.315 120.163 119.914 -0.109 0.000 2.623 210 V HA 0.894 5.043 4.120 0.049 0.000 0.304 210 V C 0.101 176.219 176.094 0.041 0.000 1.054 210 V CA -0.803 61.482 62.300 -0.025 0.000 0.882 210 V CB 1.127 32.971 31.823 0.034 0.000 1.002 210 V HN 0.929 nan 8.190 nan 0.000 0.424 211 S N 2.226 117.987 115.700 0.102 0.000 2.686 211 S HA 0.483 4.982 4.470 0.049 0.000 0.270 211 S C 0.017 174.702 174.600 0.141 0.000 1.194 211 S CA -0.185 58.140 58.200 0.208 0.000 0.990 211 S CB 1.316 64.724 63.200 0.346 0.000 1.029 211 S HN 1.016 nan 8.310 nan 0.000 0.560 212 D N -0.627 119.864 120.400 0.151 0.000 2.361 212 D HA 0.281 4.950 4.640 0.049 0.000 0.239 212 D C -0.606 175.493 176.300 -0.334 0.000 1.200 212 D CA -0.214 53.701 54.000 -0.142 0.000 0.915 212 D CB 0.664 41.320 40.800 -0.239 0.000 1.170 212 D HN 0.349 nan 8.370 nan 0.000 0.444 213 V N 2.301 121.908 119.914 -0.511 0.000 2.532 213 V HA 0.367 4.517 4.120 0.049 0.000 0.295 213 V C -0.618 175.332 176.094 -0.240 0.000 1.041 213 V CA -0.328 61.752 62.300 -0.367 0.000 0.926 213 V CB 0.826 32.321 31.823 -0.546 0.000 0.992 213 V HN 0.467 nan 8.190 nan 0.000 0.457 214 Y N 0.818 121.162 120.300 0.073 0.000 2.665 214 Y HA 0.645 5.224 4.550 0.049 0.000 0.336 214 Y C 0.294 176.256 175.900 0.104 0.000 1.085 214 Y CA -1.034 57.140 58.100 0.123 0.000 1.096 214 Y CB 2.130 40.638 38.460 0.079 0.000 1.301 214 Y HN 0.417 nan 8.280 nan 0.000 0.493 215 T N 1.167 115.893 114.554 0.287 0.000 2.847 215 T HA 0.505 4.884 4.350 0.049 0.000 0.291 215 T C -1.106 173.680 174.700 0.142 0.000 0.998 215 T CA -0.679 61.529 62.100 0.180 0.000 0.967 215 T CB 1.006 69.965 68.868 0.151 0.000 0.954 215 T HN 0.515 nan 8.240 nan 0.000 0.441 216 S N 3.235 118.992 115.700 0.095 0.000 2.538 216 S HA 0.440 4.940 4.470 0.049 0.000 0.288 216 S C -0.200 174.434 174.600 0.056 0.000 1.108 216 S CA -0.713 57.527 58.200 0.067 0.000 0.971 216 S CB 0.317 63.539 63.200 0.038 0.000 1.041 216 S HN 0.792 nan 8.310 nan 0.000 0.483 217 N N 3.066 121.805 118.700 0.064 0.000 2.698 217 N HA -0.231 4.538 4.740 0.049 0.000 0.258 217 N C -0.181 175.379 175.510 0.083 0.000 0.978 217 N CA 1.044 54.138 53.050 0.073 0.000 0.777 217 N CB -1.417 37.117 38.487 0.077 0.000 0.907 217 N HN 0.843 nan 8.380 nan 0.000 0.543 218 N N -1.619 117.129 118.700 0.080 0.000 2.758 218 N HA -0.219 4.550 4.740 0.049 0.000 0.248 218 N C -1.340 174.223 175.510 0.088 0.000 1.076 218 N CA 1.643 54.742 53.050 0.082 0.000 0.696 218 N CB -0.684 37.851 38.487 0.080 0.000 0.979 218 N HN 0.647 nan 8.380 nan 0.000 0.550 219 T N -1.533 113.073 114.554 0.086 0.000 2.893 219 T HA 0.527 4.906 4.350 0.049 0.000 0.337 219 T C -0.522 174.230 174.700 0.085 0.000 1.587 219 T CA 0.012 62.165 62.100 0.087 0.000 1.066 219 T CB 0.865 69.785 68.868 0.085 0.000 1.414 219 T HN 0.330 nan 8.240 nan 0.000 0.488 220 T N 2.178 116.794 114.554 0.104 0.000 2.927 220 T HA 0.869 5.248 4.350 0.049 0.000 0.281 220 T C 0.011 174.729 174.700 0.031 0.000 0.998 220 T CA -0.620 61.548 62.100 0.114 0.000 1.019 220 T CB 1.018 69.998 68.868 0.187 0.000 1.061 220 T HN 1.139 nan 8.240 nan 0.000 0.518 221 L N -1.376 119.833 121.223 -0.025 0.000 2.940 221 L HA 0.869 5.238 4.340 0.049 0.000 0.270 221 L C -2.237 174.458 176.870 -0.292 0.000 1.030 221 L CA -1.271 53.451 54.840 -0.197 0.000 0.928 221 L CB 2.004 43.876 42.059 -0.312 0.000 1.506 221 L HN 0.833 nan 8.230 nan 0.000 0.405 222 D N -0.480 119.621 120.400 -0.498 0.000 2.596 222 D HA 0.637 5.306 4.640 0.049 0.000 0.262 222 D C -1.458 174.374 176.300 -0.779 0.000 1.210 222 D CA -0.347 53.336 54.000 -0.528 0.000 0.873 222 D CB 1.451 42.094 40.800 -0.262 0.000 1.408 222 D HN 0.441 nan 8.370 nan 0.000 0.441 223 F N -0.016 119.856 119.950 -0.129 0.000 2.467 223 F HA 0.541 5.098 4.527 0.050 0.000 0.336 223 F C 0.203 175.951 175.800 -0.086 0.000 1.123 223 F CA -0.995 56.898 58.000 -0.178 0.000 0.964 223 F CB 1.580 40.299 39.000 -0.470 0.000 1.136 223 F HN 0.391 nan 8.300 nan 0.000 0.447 224 I N 0.876 121.505 120.570 0.100 0.000 2.846 224 I HA 0.752 4.951 4.170 0.049 0.000 0.307 224 I C -1.215 174.892 176.117 -0.018 0.000 1.053 224 I CA -1.054 60.230 61.300 -0.027 0.000 1.050 224 I CB 2.645 40.528 38.000 -0.194 0.000 1.239 224 I HN 0.417 nan 8.210 nan 0.000 0.439 225 I N 3.431 123.909 120.570 -0.153 0.000 2.436 225 I HA 0.368 4.567 4.170 0.049 0.000 0.289 225 I C -1.276 174.725 176.117 -0.194 0.000 1.010 225 I CA -0.534 60.653 61.300 -0.188 0.000 1.098 225 I CB 1.718 39.566 38.000 -0.254 0.000 1.266 225 I HN 0.510 nan 8.210 nan 0.000 0.434 226 Y N 5.292 125.564 120.300 -0.046 0.000 2.323 226 Y HA 0.431 5.010 4.550 0.048 0.000 0.331 226 Y C 0.210 176.182 175.900 0.120 0.000 1.092 226 Y CA -0.279 57.863 58.100 0.070 0.000 1.150 226 Y CB 1.512 40.060 38.460 0.146 0.000 1.200 226 Y HN 0.393 nan 8.280 nan 0.000 0.472 227 K N 2.952 123.518 120.400 0.276 0.000 2.345 227 K HA 0.336 4.685 4.320 0.049 0.000 0.255 227 K C -1.008 175.690 176.600 0.162 0.000 0.934 227 K CA -1.212 55.197 56.287 0.204 0.000 0.801 227 K CB 1.241 33.785 32.500 0.075 0.000 1.137 227 K HN 0.439 nan 8.250 nan 0.000 0.424 228 K N 2.681 123.130 120.400 0.082 0.000 2.419 228 K HA 0.008 4.358 4.320 0.049 0.000 0.282 228 K C -0.450 176.069 176.600 -0.136 0.000 1.056 228 K CA 0.250 56.385 56.287 -0.253 0.000 1.035 228 K CB 0.157 32.536 32.500 -0.202 0.000 0.921 228 K HN 0.621 nan 8.250 nan 0.000 0.472 229 T N 1.929 116.386 114.554 -0.161 0.000 2.898 229 T HA 0.178 4.557 4.350 0.049 0.000 0.301 229 T C 0.321 174.978 174.700 -0.072 0.000 1.049 229 T CA -0.731 61.324 62.100 -0.076 0.000 1.095 229 T CB 0.486 69.325 68.868 -0.049 0.000 0.976 229 T HN 0.525 nan 8.240 nan 0.000 0.539 230 N N 2.889 121.566 118.700 -0.038 0.000 2.994 230 N HA 0.223 4.992 4.740 0.049 0.000 0.306 230 N C -0.821 174.678 175.510 -0.020 0.000 1.348 230 N CA -0.291 52.743 53.050 -0.027 0.000 1.109 230 N CB -0.251 38.226 38.487 -0.015 0.000 1.415 230 N HN 0.601 nan 8.380 nan 0.000 0.529 284 D N -1.127 119.254 120.400 -0.031 0.000 2.480 284 D HA 0.081 4.750 4.640 0.049 0.000 0.243 284 D C 1.053 177.325 176.300 -0.046 0.000 1.120 284 D CA 0.274 54.252 54.000 -0.037 0.000 0.835 284 D CB 1.121 41.903 40.800 -0.029 0.000 1.204 284 D HN 0.138 nan 8.370 nan 0.000 0.513 285 E N 0.838 121.013 120.200 -0.042 0.000 2.158 285 E HA -0.042 4.337 4.350 0.049 0.000 0.191 285 E C 1.112 177.664 176.600 -0.079 0.000 0.982 285 E CA 0.777 57.147 56.400 -0.050 0.000 0.823 285 E CB 0.157 29.839 29.700 -0.029 0.000 0.766 285 E HN 0.069 nan 8.360 nan 0.000 0.468 286 E N -0.016 120.142 120.200 -0.071 0.000 2.511 286 E HA -0.031 4.348 4.350 0.049 0.000 0.196 286 E C 1.248 177.794 176.600 -0.089 0.000 1.066 286 E CA 0.165 56.514 56.400 -0.085 0.000 0.871 286 E CB 0.125 29.794 29.700 -0.051 0.000 0.863 286 E HN 0.293 nan 8.360 nan 0.000 0.520 287 E N 0.197 120.340 120.200 -0.096 0.000 2.051 287 E HA -0.129 4.250 4.350 0.049 0.000 0.189 287 E C 0.941 177.468 176.600 -0.121 0.000 0.979 287 E CA 0.878 57.229 56.400 -0.081 0.000 0.803 287 E CB 0.244 29.899 29.700 -0.076 0.000 0.761 287 E HN 0.151 nan 8.360 nan 0.000 0.451 288 D N 0.619 120.868 120.400 -0.252 0.000 2.183 288 D HA -0.121 4.548 4.640 0.049 0.000 0.203 288 D C 1.336 177.037 176.300 -0.998 0.000 0.969 288 D CA 0.690 54.370 54.000 -0.533 0.000 0.842 288 D CB -0.200 40.302 40.800 -0.496 0.000 0.957 288 D HN 0.120 nan 8.370 nan 0.000 0.484 289 D N -0.075 119.926 120.400 -0.665 0.000 2.149 289 D HA -0.161 4.508 4.640 0.049 0.000 0.198 289 D C 1.777 177.772 176.300 -0.508 0.000 0.990 289 D CA 0.419 54.066 54.000 -0.589 0.000 0.839 289 D CB -0.344 40.233 40.800 -0.371 0.000 0.948 289 D HN 0.194 nan 8.370 nan 0.000 0.460 290 F N 1.347 121.066 119.950 -0.386 0.000 2.102 290 F HA -0.211 4.345 4.527 0.048 0.000 0.298 290 F C 2.228 177.982 175.800 -0.076 0.000 1.105 290 F CA 1.003 58.899 58.000 -0.172 0.000 1.239 290 F CB -0.422 38.519 39.000 -0.099 0.000 0.991 290 F HN -0.213 nan 8.300 nan 0.000 0.474 291 V N -0.129 119.701 119.914 -0.139 0.000 2.332 291 V HA -0.353 3.796 4.120 0.049 0.000 0.248 291 V C 2.284 178.386 176.094 0.015 0.000 1.055 291 V CA 2.095 64.331 62.300 -0.106 0.000 1.038 291 V CB -1.149 30.633 31.823 -0.069 0.000 0.651 291 V HN 0.366 nan 8.190 nan 0.000 0.450 292 Y N -1.322 118.963 120.300 -0.024 0.000 2.165 292 Y HA -0.140 4.439 4.550 0.049 0.000 0.286 292 Y C 2.313 178.356 175.900 0.237 0.000 1.155 292 Y CA 0.489 58.611 58.100 0.036 0.000 1.164 292 Y CB -1.231 37.189 38.460 -0.067 0.000 0.978 292 Y HN 0.198 nan 8.280 nan 0.000 0.513 293 F N 0.368 120.388 119.950 0.118 0.000 2.494 293 F HA -0.129 4.427 4.527 0.048 0.000 0.298 293 F C 1.412 177.261 175.800 0.082 0.000 1.106 293 F CA 0.632 58.686 58.000 0.090 0.000 1.452 293 F CB -0.698 38.280 39.000 -0.038 0.000 1.085 293 F HN 0.203 nan 8.300 nan 0.000 0.569 294 N N -0.268 118.537 118.700 0.175 0.000 2.230 294 N HA -0.037 4.732 4.740 0.049 0.000 0.202 294 N C 1.733 177.284 175.510 0.068 0.000 1.119 294 N CA 0.038 53.097 53.050 0.015 0.000 0.851 294 N CB -0.216 38.186 38.487 -0.142 0.000 0.990 294 N HN 0.275 nan 8.380 nan 0.000 0.497 295 F N 1.226 121.197 119.950 0.035 0.000 2.147 295 F HA -0.139 4.417 4.527 0.049 0.000 0.301 295 F C 1.179 176.985 175.800 0.010 0.000 1.084 295 F CA 1.079 59.100 58.000 0.036 0.000 1.268 295 F CB -0.916 38.115 39.000 0.053 0.000 1.009 295 F HN -0.128 nan 8.300 nan 0.000 0.486 296 N N 0.196 118.227 118.700 -1.115 0.000 2.320 296 N HA 0.042 4.812 4.740 0.049 0.000 0.237 296 N C -0.698 174.574 175.510 -0.396 0.000 1.129 296 N CA -0.114 52.417 53.050 -0.865 0.000 0.854 296 N CB -0.223 37.555 38.487 -1.181 0.000 1.083 296 N HN -0.047 nan 8.380 nan 0.000 0.504 297 K N 1.862 122.115 120.400 -0.245 0.000 2.237 297 K HA 0.012 4.361 4.320 0.049 0.000 0.283 297 K C 0.227 176.767 176.600 -0.100 0.000 1.080 297 K CA 0.140 56.343 56.287 -0.140 0.000 0.965 297 K CB 0.209 32.658 32.500 -0.085 0.000 1.098 297 K HN 0.192 nan 8.250 nan 0.000 0.434 298 E N 1.414 121.553 120.200 -0.101 0.000 2.941 298 E HA -0.311 4.069 4.350 0.049 0.000 0.265 298 E C -0.285 176.279 176.600 -0.060 0.000 1.160 298 E CA 1.261 57.617 56.400 -0.073 0.000 0.730 298 E CB -1.594 28.076 29.700 -0.050 0.000 1.359 298 E HN 0.811 nan 8.360 nan 0.000 0.451 299 K N 0.057 120.419 120.400 -0.065 0.000 4.166 299 K HA -0.269 4.080 4.320 0.049 0.000 0.276 299 K C 0.218 176.800 176.600 -0.030 0.000 0.808 299 K CA 1.490 57.751 56.287 -0.044 0.000 0.717 299 K CB -0.519 31.953 32.500 -0.046 0.000 1.774 299 K HN 0.153 nan 8.250 nan 0.000 0.427 300 E N 1.521 121.708 120.200 -0.023 0.000 4.505 300 E HA -0.004 4.375 4.350 0.049 0.000 0.553 300 E C 0.259 176.853 176.600 -0.010 0.000 1.022 300 E CA 0.688 57.078 56.400 -0.016 0.000 3.619 300 E CB 0.114 29.809 29.700 -0.008 0.000 2.034 300 E HN 0.491 nan 8.360 nan 0.000 0.479 301 E N -0.914 119.283 120.200 -0.005 0.000 2.759 301 E HA -0.176 4.203 4.350 0.049 0.000 0.280 301 E C -1.446 175.149 176.600 -0.008 0.000 1.009 301 E CA 0.929 57.328 56.400 -0.002 0.000 0.849 301 E CB -1.329 28.371 29.700 0.000 0.000 1.415 301 E HN 0.317 nan 8.360 nan 0.000 0.412 302 K N 1.156 121.547 120.400 -0.013 0.000 2.652 302 K HA 0.224 4.573 4.320 0.049 0.000 0.249 302 K C -0.465 176.119 176.600 -0.025 0.000 0.986 302 K CA -0.639 55.636 56.287 -0.020 0.000 0.867 302 K CB 0.951 33.439 32.500 -0.021 0.000 1.201 302 K HN 0.243 nan 8.250 nan 0.000 0.450 303 N N 2.726 121.406 118.700 -0.034 0.000 2.458 303 N HA 0.015 4.784 4.740 0.049 0.000 0.258 303 N C -1.004 174.479 175.510 -0.045 0.000 1.219 303 N CA 0.019 53.042 53.050 -0.044 0.000 0.902 303 N CB 0.650 39.093 38.487 -0.073 0.000 1.076 303 N HN 0.276 nan 8.380 nan 0.000 0.455 304 K N 1.136 121.510 120.400 -0.043 0.000 2.259 304 K HA 0.419 4.768 4.320 0.049 0.000 0.249 304 K C 0.115 176.690 176.600 -0.041 0.000 0.942 304 K CA -0.909 55.353 56.287 -0.041 0.000 0.816 304 K CB 0.760 33.236 32.500 -0.042 0.000 1.155 304 K HN 0.511 nan 8.250 nan 0.000 0.428 305 N N 0.696 119.376 118.700 -0.035 0.000 2.732 305 N HA -0.258 4.511 4.740 0.049 0.000 0.250 305 N C -1.032 174.465 175.510 -0.022 0.000 1.097 305 N CA 1.402 54.437 53.050 -0.024 0.000 0.812 305 N CB -1.907 36.566 38.487 -0.023 0.000 1.148 305 N HN 1.079 nan 8.380 nan 0.000 0.572 306 S N -1.898 113.774 115.700 -0.048 0.000 3.436 306 S HA -0.227 4.272 4.470 0.049 0.000 0.393 306 S C -0.129 174.424 174.600 -0.078 0.000 0.914 306 S CA 0.501 58.647 58.200 -0.089 0.000 1.317 306 S CB -1.672 61.494 63.200 -0.056 0.000 0.920 306 S HN 0.406 nan 8.310 nan 0.000 0.564 307 I N 2.853 123.383 120.570 -0.065 0.000 2.390 307 I HA 0.352 4.551 4.170 0.049 0.000 0.283 307 I C 0.781 176.906 176.117 0.013 0.000 1.016 307 I CA -0.695 60.630 61.300 0.042 0.000 1.151 307 I CB 0.680 38.758 38.000 0.130 0.000 1.293 307 I HN 0.502 nan 8.210 nan 0.000 0.458 308 H N 7.119 126.185 119.070 -0.007 0.000 2.929 308 H HA 0.063 4.648 4.556 0.049 0.000 0.358 308 H C -1.434 173.904 175.328 0.017 0.000 1.111 308 H CA -0.689 55.353 56.048 -0.009 0.000 1.409 308 H CB 0.003 29.738 29.762 -0.045 0.000 1.373 308 H HN 0.352 nan 8.280 nan 0.000 0.610 309 P HA -0.176 nan 4.420 nan 0.000 0.210 309 P C 0.933 178.313 177.300 0.132 0.000 1.189 309 P CA 1.264 64.455 63.100 0.151 0.000 0.920 309 P CB 0.240 32.005 31.700 0.108 0.000 0.782 310 N N -0.348 118.396 118.700 0.072 0.000 2.635 310 N HA -0.109 4.661 4.740 0.049 0.000 0.191 310 N C 0.760 176.232 175.510 -0.064 0.000 1.155 310 N CA 0.751 53.816 53.050 0.025 0.000 0.927 310 N CB -0.597 37.895 38.487 0.008 0.000 0.976 310 N HN 0.228 nan 8.380 nan 0.000 0.448 311 D N -0.357 119.931 120.400 -0.187 0.000 2.310 311 D HA -0.087 4.582 4.640 0.049 0.000 0.212 311 D C 0.147 176.047 176.300 -0.667 0.000 0.965 311 D CA 0.847 54.548 54.000 -0.498 0.000 0.879 311 D CB 0.036 40.377 40.800 -0.766 0.000 0.921 311 D HN 0.274 nan 8.370 nan 0.000 0.510 312 F N 0.170 120.186 119.950 0.110 0.000 2.818 312 F HA 0.237 4.792 4.527 0.047 0.000 0.369 312 F C 1.638 177.512 175.800 0.124 0.000 1.327 312 F CA -0.727 57.355 58.000 0.137 0.000 1.211 312 F CB -0.116 39.025 39.000 0.235 0.000 1.036 312 F HN -0.258 nan 8.300 nan 0.000 0.510 313 Q N 1.153 121.051 119.800 0.163 0.000 1.985 313 Q HA -0.199 4.171 4.340 0.049 0.000 0.207 313 Q C 2.053 178.107 176.000 0.090 0.000 0.996 313 Q CA 2.613 58.478 55.803 0.104 0.000 0.851 313 Q CB -0.096 28.671 28.738 0.048 0.000 0.921 313 Q HN 0.579 nan 8.270 nan 0.000 0.418 314 I N -0.169 120.454 120.570 0.088 0.000 2.226 314 I HA -0.279 3.920 4.170 0.049 0.000 0.245 314 I C 2.307 178.459 176.117 0.058 0.000 1.100 314 I CA 1.368 62.701 61.300 0.055 0.000 1.374 314 I CB -0.421 37.610 38.000 0.051 0.000 1.057 314 I HN 0.398 nan 8.210 nan 0.000 0.413 315 Y N 2.043 122.347 120.300 0.006 0.000 2.181 315 Y HA -0.240 4.340 4.550 0.050 0.000 0.288 315 Y C 2.270 178.078 175.900 -0.155 0.000 1.146 315 Y CA 1.710 59.779 58.100 -0.051 0.000 1.164 315 Y CB -0.298 38.147 38.460 -0.024 0.000 0.982 315 Y HN 0.163 nan 8.280 nan 0.000 0.515 316 N N -0.283 118.351 118.700 -0.109 0.000 2.463 316 N HA -0.085 4.684 4.740 0.049 0.000 0.181 316 N C 1.857 177.242 175.510 -0.208 0.000 1.078 316 N CA 1.057 53.968 53.050 -0.230 0.000 0.902 316 N CB -0.171 38.312 38.487 -0.007 0.000 0.970 316 N HN 0.536 nan 8.380 nan 0.000 0.451 317 S N -0.029 115.581 115.700 -0.150 0.000 2.489 317 S HA 0.073 4.572 4.470 0.049 0.000 0.228 317 S C 0.926 175.401 174.600 -0.207 0.000 0.995 317 S CA -0.057 58.060 58.200 -0.138 0.000 0.934 317 S CB -0.209 62.943 63.200 -0.080 0.000 0.771 317 S HN 0.109 nan 8.310 nan 0.000 0.522 318 L N 1.807 122.859 121.223 -0.285 0.000 2.416 318 L HA 0.334 4.703 4.340 0.049 0.000 0.272 318 L C 1.482 178.106 176.870 -0.411 0.000 1.161 318 L CA -0.554 54.083 54.840 -0.339 0.000 0.845 318 L CB 0.841 42.658 42.059 -0.404 0.000 1.119 318 L HN 0.119 nan 8.230 nan 0.000 0.464 319 K N 2.897 123.043 120.400 -0.424 0.000 2.044 319 K HA -0.000 4.349 4.320 0.049 0.000 0.204 319 K C -0.378 175.745 176.600 -0.796 0.000 1.045 319 K CA 1.275 57.195 56.287 -0.612 0.000 0.951 319 K CB 0.144 32.250 32.500 -0.656 0.000 0.738 319 K HN 0.369 nan 8.250 nan 0.000 0.443 320 Y N 0.850 120.897 120.300 -0.421 0.000 2.345 320 Y HA 0.398 4.977 4.550 0.048 0.000 0.331 320 Y C -0.996 174.495 175.900 -0.681 0.000 0.959 320 Y CA -0.977 56.731 58.100 -0.653 0.000 1.204 320 Y CB 1.786 39.771 38.460 -0.792 0.000 1.135 320 Y HN -0.163 nan 8.280 nan 0.000 0.477 321 K N 3.675 123.766 120.400 -0.515 0.000 2.432 321 K HA 0.290 4.639 4.320 0.049 0.000 0.226 321 K C -0.701 175.870 176.600 -0.049 0.000 1.057 321 K CA -0.256 55.693 56.287 -0.564 0.000 1.034 321 K CB 0.300 32.026 32.500 -1.291 0.000 1.561 321 K HN 0.555 nan 8.250 nan 0.000 0.492 322 Y N -0.263 120.048 120.300 0.018 0.000 2.457 322 Y HA 0.064 4.643 4.550 0.048 0.000 0.263 322 Y C 0.794 176.755 175.900 0.102 0.000 1.164 322 Y CA -0.566 57.568 58.100 0.057 0.000 1.274 322 Y CB -0.482 37.993 38.460 0.025 0.000 1.097 322 Y HN 0.482 nan 8.280 nan 0.000 0.523 323 H N 2.616 121.834 119.070 0.246 0.000 2.848 323 H HA 0.037 4.623 4.556 0.050 0.000 0.341 323 H C -1.765 173.617 175.328 0.089 0.000 1.060 323 H CA -1.551 54.538 56.048 0.069 0.000 1.444 323 H CB 1.630 31.393 29.762 0.001 0.000 1.446 323 H HN 0.014 nan 8.280 nan 0.000 0.583 324 P HA -0.164 nan 4.420 nan 0.000 0.216 324 P C 1.279 178.879 177.300 0.501 0.000 1.150 324 P CA 1.602 64.872 63.100 0.283 0.000 0.843 324 P CB 0.198 32.077 31.700 0.299 0.000 0.787 325 E N -1.473 119.050 120.200 0.538 0.000 2.171 325 E HA -0.241 4.138 4.350 0.049 0.000 0.197 325 E C 1.395 178.067 176.600 0.120 0.000 0.997 325 E CA 1.007 57.584 56.400 0.295 0.000 0.810 325 E CB -0.504 29.104 29.700 -0.155 0.000 0.738 325 E HN 0.267 nan 8.360 nan 0.000 0.467 326 Y N 0.918 121.340 120.300 0.204 0.000 2.403 326 Y HA -0.182 4.399 4.550 0.051 0.000 0.291 326 Y C 2.236 178.217 175.900 0.135 0.000 1.143 326 Y CA 1.266 59.449 58.100 0.138 0.000 1.257 326 Y CB -0.166 38.351 38.460 0.095 0.000 0.984 326 Y HN 0.153 nan 8.280 nan 0.000 0.550 327 Q N -1.524 118.442 119.800 0.277 0.000 2.096 327 Q HA -0.266 4.103 4.340 0.049 0.000 0.204 327 Q C 1.871 177.963 176.000 0.153 0.000 0.982 327 Q CA 1.981 57.883 55.803 0.166 0.000 0.850 327 Q CB -0.449 28.336 28.738 0.078 0.000 0.901 327 Q HN 0.665 nan 8.270 nan 0.000 0.422 328 Y N 0.893 121.264 120.300 0.119 0.000 2.176 328 Y HA -0.118 4.460 4.550 0.047 0.000 0.291 328 Y C 1.836 177.723 175.900 -0.022 0.000 1.122 328 Y CA 1.083 59.212 58.100 0.048 0.000 1.128 328 Y CB -0.310 38.203 38.460 0.089 0.000 1.005 328 Y HN -0.040 nan 8.280 nan 0.000 0.509 329 L N 0.587 121.737 121.223 -0.122 0.000 2.079 329 L HA -0.273 4.096 4.340 0.049 0.000 0.210 329 L C 2.003 178.787 176.870 -0.143 0.000 1.081 329 L CA 1.462 56.166 54.840 -0.226 0.000 0.752 329 L CB -0.652 41.365 42.059 -0.069 0.000 0.896 329 L HN 0.309 nan 8.230 nan 0.000 0.433 330 N N 0.120 118.841 118.700 0.034 0.000 2.244 330 N HA -0.095 4.674 4.740 0.049 0.000 0.183 330 N C 1.874 177.346 175.510 -0.064 0.000 1.016 330 N CA 1.165 54.266 53.050 0.086 0.000 0.866 330 N CB -0.128 38.441 38.487 0.136 0.000 0.980 330 N HN 0.345 nan 8.380 nan 0.000 0.430 331 I N 0.770 121.195 120.570 -0.242 0.000 2.315 331 I HA -0.184 4.016 4.170 0.049 0.000 0.248 331 I C 1.986 177.846 176.117 -0.428 0.000 1.117 331 I CA 0.791 61.795 61.300 -0.494 0.000 1.404 331 I CB -0.109 37.472 38.000 -0.699 0.000 1.071 331 I HN 0.049 nan 8.210 nan 0.000 0.419 332 I N -0.264 120.056 120.570 -0.416 0.000 2.179 332 I HA -0.347 3.852 4.170 0.049 0.000 0.242 332 I C 2.641 178.601 176.117 -0.261 0.000 1.088 332 I CA 1.571 62.659 61.300 -0.354 0.000 1.357 332 I CB -0.461 37.277 38.000 -0.437 0.000 1.051 332 I HN 0.193 nan 8.210 nan 0.000 0.409 333 Y N 1.812 121.865 120.300 -0.411 0.000 2.114 333 Y HA -0.372 4.207 4.550 0.047 0.000 0.282 333 Y C 2.192 177.927 175.900 -0.275 0.000 1.165 333 Y CA 2.241 60.056 58.100 -0.475 0.000 1.148 333 Y CB -0.482 37.664 38.460 -0.523 0.000 0.972 333 Y HN 0.245 nan 8.280 nan 0.000 0.504 334 D N -0.295 120.021 120.400 -0.140 0.000 2.117 334 D HA -0.201 4.468 4.640 0.049 0.000 0.197 334 D C 2.121 178.350 176.300 -0.119 0.000 0.987 334 D CA 1.858 55.794 54.000 -0.106 0.000 0.829 334 D CB -0.339 40.490 40.800 0.050 0.000 0.961 334 D HN 0.483 nan 8.370 nan 0.000 0.460 335 I N -0.256 120.244 120.570 -0.117 0.000 2.315 335 I HA -0.222 3.978 4.170 0.049 0.000 0.248 335 I C 2.330 178.384 176.117 -0.105 0.000 1.117 335 I CA 0.696 61.956 61.300 -0.066 0.000 1.404 335 I CB -0.185 37.776 38.000 -0.065 0.000 1.071 335 I HN 0.130 nan 8.210 nan 0.000 0.419 336 M N -0.583 118.913 119.600 -0.174 0.000 2.175 336 M HA -0.167 4.342 4.480 0.049 0.000 0.264 336 M C 2.176 178.374 176.300 -0.170 0.000 1.063 336 M CA 1.478 56.695 55.300 -0.139 0.000 1.119 336 M CB -0.142 32.390 32.600 -0.113 0.000 1.377 336 M HN 0.198 nan 8.290 nan 0.000 0.415 337 M N -0.444 118.968 119.600 -0.312 0.000 2.334 337 M HA -0.007 4.503 4.480 0.049 0.000 0.266 337 M C 0.859 177.070 176.300 -0.148 0.000 1.082 337 M CA 1.236 56.371 55.300 -0.276 0.000 1.141 337 M CB -0.717 31.601 32.600 -0.471 0.000 1.380 337 M HN 0.281 nan 8.290 nan 0.000 0.440 338 N N -0.230 118.399 118.700 -0.118 0.000 2.143 338 N HA 0.144 4.913 4.740 0.049 0.000 0.222 338 N C 0.802 176.292 175.510 -0.033 0.000 1.264 338 N CA 0.119 53.133 53.050 -0.061 0.000 0.897 338 N CB 0.906 39.368 38.487 -0.042 0.000 1.092 338 N HN 0.191 nan 8.380 nan 0.000 0.516 339 G N 1.119 109.899 108.800 -0.033 0.000 2.630 339 G HA2 0.030 4.019 3.960 0.049 0.000 0.236 339 G HA3 0.030 4.019 3.960 0.049 0.000 0.236 339 G C 0.118 175.008 174.900 -0.016 0.000 1.248 339 G CA -0.103 44.992 45.100 -0.008 0.000 0.844 339 G HN 0.092 nan 8.290 nan 0.000 0.588 340 N N 0.409 119.102 118.700 -0.011 0.000 2.456 340 N HA 0.188 4.957 4.740 0.049 0.000 0.288 340 N C -0.244 175.251 175.510 -0.024 0.000 1.059 340 N CA -0.304 52.733 53.050 -0.021 0.000 0.946 340 N CB 1.861 40.332 38.487 -0.026 0.000 1.150 340 N HN 0.402 nan 8.380 nan 0.000 0.479 341 K N 2.157 122.542 120.400 -0.026 0.000 2.383 341 K HA 0.147 4.496 4.320 0.049 0.000 0.286 341 K C -0.059 176.523 176.600 -0.031 0.000 1.051 341 K CA 0.143 56.416 56.287 -0.025 0.000 0.974 341 K CB 0.580 33.069 32.500 -0.020 0.000 0.968 341 K HN 0.421 nan 8.250 nan 0.000 0.475 342 Q N 0.881 120.659 119.800 -0.037 0.000 2.416 342 Q HA 0.247 4.616 4.340 0.049 0.000 0.281 342 Q C -0.867 175.108 176.000 -0.041 0.000 1.067 342 Q CA -0.882 54.894 55.803 -0.044 0.000 0.809 342 Q CB 2.340 31.041 28.738 -0.061 0.000 1.418 342 Q HN 0.726 nan 8.270 nan 0.000 0.411 343 S N 0.416 116.096 115.700 -0.034 0.000 2.652 343 S HA 0.623 5.123 4.470 0.049 0.000 0.270 343 S C -0.623 173.959 174.600 -0.031 0.000 1.243 343 S CA -0.598 57.589 58.200 -0.022 0.000 0.999 343 S CB 1.229 64.419 63.200 -0.016 0.000 0.973 343 S HN 0.664 nan 8.310 nan 0.000 0.544 344 D N -0.603 119.790 120.400 -0.010 0.000 2.596 344 D HA 0.208 4.878 4.640 0.049 0.000 0.262 344 D C 0.138 176.444 176.300 0.010 0.000 1.210 344 D CA -1.001 52.991 54.000 -0.013 0.000 0.873 344 D CB 1.241 42.029 40.800 -0.020 0.000 1.408 344 D HN 0.563 nan 8.370 nan 0.000 0.441 345 R N -0.553 119.952 120.500 0.010 0.000 2.447 345 R HA -0.056 4.313 4.340 0.049 0.000 0.215 345 R C 0.243 176.556 176.300 0.022 0.000 1.130 345 R CA 1.126 57.234 56.100 0.014 0.000 1.075 345 R CB -0.232 30.079 30.300 0.019 0.000 0.824 345 R HN 0.451 nan 8.270 nan 0.000 0.484 346 T N -2.040 112.533 114.554 0.031 0.000 2.986 346 T HA 0.173 4.552 4.350 0.049 0.000 0.264 346 T C 0.673 175.379 174.700 0.009 0.000 0.964 346 T CA 0.443 62.554 62.100 0.017 0.000 0.895 346 T CB 1.134 70.002 68.868 0.001 0.000 1.163 346 T HN 0.418 nan 8.240 nan 0.000 0.517 347 G N 1.354 110.166 108.800 0.019 0.000 2.153 347 G HA2 -0.269 3.720 3.960 0.049 0.000 0.252 347 G HA3 -0.269 3.720 3.960 0.049 0.000 0.252 347 G C 0.840 175.751 174.900 0.018 0.000 0.994 347 G CA 0.562 45.670 45.100 0.013 0.000 0.698 347 G HN 0.482 nan 8.290 nan 0.000 0.521 348 V N -0.175 119.762 119.914 0.038 0.000 2.949 348 V HA 0.561 4.711 4.120 0.049 0.000 0.245 348 V C 1.796 177.937 176.094 0.078 0.000 1.086 348 V CA 1.529 63.857 62.300 0.047 0.000 1.097 348 V CB -0.331 31.509 31.823 0.027 0.000 0.762 348 V HN 2.162 nan 8.190 nan 0.000 0.470 349 G N 0.557 109.411 108.800 0.090 0.000 2.705 349 G HA2 0.159 4.149 3.960 0.049 0.000 0.686 349 G HA3 0.159 4.149 3.960 0.049 0.000 0.686 349 G C -0.780 174.148 174.900 0.047 0.000 1.285 349 G CA -0.157 44.972 45.100 0.047 0.000 0.800 349 G HN 1.357 nan 8.290 nan 0.000 0.611 350 V N -0.933 118.959 119.914 -0.037 0.000 3.226 350 V HA 0.906 5.056 4.120 0.049 0.000 0.304 350 V C -0.281 175.776 176.094 -0.062 0.000 1.336 350 V CA -1.419 60.819 62.300 -0.103 0.000 1.066 350 V CB 1.955 33.601 31.823 -0.294 0.000 1.087 350 V HN 1.228 nan 8.190 nan 0.000 0.451 351 L N 2.526 123.720 121.223 -0.049 0.000 2.341 351 L HA 0.891 5.260 4.340 0.049 0.000 0.278 351 L C -0.076 176.793 176.870 -0.002 0.000 1.005 351 L CA -0.216 54.610 54.840 -0.023 0.000 0.818 351 L CB 2.004 44.053 42.059 -0.018 0.000 1.259 351 L HN 1.116 nan 8.230 nan 0.000 0.418 352 S N 2.328 118.037 115.700 0.014 0.000 2.564 352 S HA 0.753 5.252 4.470 0.049 0.000 0.274 352 S C -1.085 173.558 174.600 0.073 0.000 1.124 352 S CA -1.033 57.204 58.200 0.062 0.000 0.869 352 S CB 2.935 66.173 63.200 0.064 0.000 1.105 352 S HN 0.397 nan 8.310 nan 0.000 0.472 353 K N 0.327 120.809 120.400 0.137 0.000 2.409 353 K HA 0.620 4.969 4.320 0.049 0.000 0.252 353 K C -1.963 174.740 176.600 0.171 0.000 1.036 353 K CA -0.636 55.723 56.287 0.121 0.000 0.871 353 K CB 1.770 34.372 32.500 0.169 0.000 1.374 353 K HN 0.691 nan 8.250 nan 0.000 0.459 354 F N 0.164 120.011 119.950 -0.172 0.000 2.539 354 F HA 0.469 5.025 4.527 0.048 0.000 0.328 354 F C -0.150 175.475 175.800 -0.291 0.000 1.148 354 F CA -0.466 57.436 58.000 -0.165 0.000 0.940 354 F CB 1.504 40.446 39.000 -0.096 0.000 1.194 354 F HN 0.666 nan 8.300 nan 0.000 0.438 355 G N 4.763 113.218 108.800 -0.575 0.000 3.081 355 G HA2 -0.100 3.890 3.960 0.049 0.000 0.603 355 G HA3 -0.100 3.890 3.960 0.049 0.000 0.603 355 G C -1.833 172.723 174.900 -0.574 0.000 1.106 355 G CA -0.736 44.008 45.100 -0.593 0.000 1.001 355 G HN 0.698 nan 8.290 nan 0.000 0.445 356 Y N 0.579 120.748 120.300 -0.218 0.000 2.615 356 Y HA 0.822 5.402 4.550 0.050 0.000 0.341 356 Y C 0.371 176.157 175.900 -0.189 0.000 1.089 356 Y CA -1.107 56.890 58.100 -0.171 0.000 1.049 356 Y CB 2.278 40.644 38.460 -0.156 0.000 1.296 356 Y HN 0.754 nan 8.280 nan 0.000 0.470 357 I N 2.361 122.951 120.570 0.034 0.000 2.722 357 I HA 0.597 4.796 4.170 0.049 0.000 0.295 357 I C -1.816 174.240 176.117 -0.102 0.000 1.161 357 I CA -0.770 60.488 61.300 -0.070 0.000 1.032 357 I CB 1.518 39.464 38.000 -0.090 0.000 1.244 357 I HN 0.645 nan 8.210 nan 0.000 0.421 358 M N 6.542 126.041 119.600 -0.167 0.000 2.530 358 M HA 0.528 5.037 4.480 0.049 0.000 0.307 358 M C -1.376 174.638 176.300 -0.476 0.000 1.161 358 M CA -0.781 54.343 55.300 -0.294 0.000 0.903 358 M CB 2.611 35.093 32.600 -0.196 0.000 1.711 358 M HN 0.362 nan 8.290 nan 0.000 0.451 359 K N 2.172 122.174 120.400 -0.664 0.000 2.471 359 K HA 0.618 4.967 4.320 0.049 0.000 0.252 359 K C -1.857 174.345 176.600 -0.663 0.000 0.938 359 K CA -0.399 55.563 56.287 -0.540 0.000 0.796 359 K CB 2.161 34.498 32.500 -0.271 0.000 1.161 359 K HN 0.406 nan 8.250 nan 0.000 0.425 360 F N 1.179 121.184 119.950 0.091 0.000 2.477 360 F HA 0.149 4.706 4.527 0.051 0.000 0.335 360 F C 0.401 176.234 175.800 0.055 0.000 1.130 360 F CA -1.103 57.018 58.000 0.200 0.000 0.948 360 F CB 1.286 40.446 39.000 0.266 0.000 1.154 360 F HN 0.394 nan 8.300 nan 0.000 0.439 361 D N 4.480 124.911 120.400 0.053 0.000 2.470 361 D HA 0.130 4.799 4.640 0.049 0.000 0.226 361 D C 1.207 177.271 176.300 -0.394 0.000 1.196 361 D CA 0.276 54.172 54.000 -0.174 0.000 0.979 361 D CB 0.437 41.119 40.800 -0.198 0.000 1.059 361 D HN 0.582 nan 8.370 nan 0.000 0.515 362 L N 2.137 123.290 121.223 -0.117 0.000 2.349 362 L HA -0.196 4.173 4.340 0.049 0.000 0.220 362 L C 2.278 179.103 176.870 -0.076 0.000 1.130 362 L CA 1.034 55.844 54.840 -0.050 0.000 0.791 362 L CB -0.511 41.579 42.059 0.052 0.000 0.918 362 L HN 0.335 nan 8.230 nan 0.000 0.444 363 S N -1.473 114.157 115.700 -0.116 0.000 2.522 363 S HA -0.073 4.426 4.470 0.049 0.000 0.227 363 S C 1.699 176.266 174.600 -0.056 0.000 0.986 363 S CA 0.290 58.456 58.200 -0.056 0.000 0.929 363 S CB 0.107 63.289 63.200 -0.029 0.000 0.769 363 S HN 0.435 nan 8.310 nan 0.000 0.529 364 Q N -0.155 119.522 119.800 -0.205 0.000 2.280 364 Q HA 0.321 4.691 4.340 0.049 0.000 0.228 364 Q C -0.580 175.440 176.000 0.033 0.000 0.857 364 Q CA 0.234 55.977 55.803 -0.100 0.000 0.939 364 Q CB 0.804 29.486 28.738 -0.094 0.000 1.114 364 Q HN 0.886 nan 8.270 nan 0.000 0.514 365 Y N -3.689 116.720 120.300 0.182 0.000 2.851 365 Y HA 0.522 5.101 4.550 0.049 0.000 0.359 365 Y C -1.860 174.143 175.900 0.170 0.000 1.231 365 Y CA -2.256 55.969 58.100 0.209 0.000 1.106 365 Y CB 0.138 38.780 38.460 0.303 0.000 1.409 365 Y HN -0.179 nan 8.280 nan 0.000 0.454 366 F N 4.799 124.872 119.950 0.205 0.000 2.402 366 F HA 0.651 5.206 4.527 0.046 0.000 0.355 366 F C -2.319 173.251 175.800 -0.384 0.000 1.123 366 F CA -3.292 54.680 58.000 -0.046 0.000 1.021 366 F CB 2.196 41.130 39.000 -0.110 0.000 1.160 366 F HN 0.315 nan 8.300 nan 0.000 0.451 367 P HA -0.011 nan 4.420 nan 0.000 0.238 367 P C -0.410 176.101 177.300 -1.315 0.000 1.714 367 P CA 0.093 62.215 63.100 -1.629 0.000 0.908 367 P CB -0.112 30.738 31.700 -1.416 0.000 1.893 368 L N 1.540 122.192 121.223 -0.952 0.000 2.325 368 L HA 0.153 4.522 4.340 0.049 0.000 0.284 368 L C 0.374 177.155 176.870 -0.148 0.000 1.089 368 L CA -0.526 54.027 54.840 -0.478 0.000 0.836 368 L CB -0.206 41.675 42.059 -0.298 0.000 1.184 368 L HN 0.025 nan 8.230 nan 0.000 0.444 369 L N 4.522 125.641 121.223 -0.174 0.000 2.605 369 L HA -0.052 4.317 4.340 0.049 0.000 0.296 369 L C 1.384 178.392 176.870 0.229 0.000 1.255 369 L CA 0.886 55.733 54.840 0.013 0.000 0.879 369 L CB 0.066 41.992 42.059 -0.222 0.000 1.124 369 L HN 0.853 nan 8.230 nan 0.000 0.507 370 T N -4.404 110.296 114.554 0.245 0.000 2.985 370 T HA -0.036 4.343 4.350 0.049 0.000 0.254 370 T C 1.315 176.135 174.700 0.200 0.000 1.021 370 T CA 0.347 62.608 62.100 0.267 0.000 0.957 370 T CB -0.067 68.954 68.868 0.255 0.000 1.047 370 T HN 0.718 nan 8.240 nan 0.000 0.511 371 T N 0.618 115.189 114.554 0.029 0.000 3.284 371 T HA 0.238 4.617 4.350 0.049 0.000 0.252 371 T C 0.280 174.964 174.700 -0.026 0.000 1.144 371 T CA -0.229 61.809 62.100 -0.104 0.000 1.021 371 T CB -0.752 67.978 68.868 -0.229 0.000 0.984 371 T HN 0.844 nan 8.240 nan 0.000 0.545 372 K N -0.679 119.760 120.400 0.066 0.000 2.639 372 K HA 0.319 4.668 4.320 0.049 0.000 0.279 372 K C -1.648 174.942 176.600 -0.017 0.000 0.976 372 K CA -1.102 55.206 56.287 0.035 0.000 0.861 372 K CB 1.117 33.592 32.500 -0.043 0.000 1.436 372 K HN -0.061 nan 8.250 nan 0.000 0.400 373 K N 2.833 123.165 120.400 -0.113 0.000 2.350 373 K HA 0.270 4.619 4.320 0.049 0.000 0.279 373 K C -1.060 175.333 176.600 -0.345 0.000 1.027 373 K CA -0.293 55.764 56.287 -0.383 0.000 0.969 373 K CB 0.462 32.654 32.500 -0.514 0.000 0.954 373 K HN 0.542 nan 8.250 nan 0.000 0.474 374 L N 4.977 126.040 121.223 -0.268 0.000 2.385 374 L HA 0.442 4.811 4.340 0.049 0.000 0.273 374 L C -0.981 175.782 176.870 -0.178 0.000 0.990 374 L CA -0.978 53.721 54.840 -0.236 0.000 0.821 374 L CB 1.198 43.125 42.059 -0.220 0.000 1.279 374 L HN 0.521 nan 8.230 nan 0.000 0.412 375 F N 3.038 123.079 119.950 0.151 0.000 2.397 375 F HA 0.428 4.965 4.527 0.017 0.000 0.331 375 F C 0.827 176.672 175.800 0.076 0.000 1.090 375 F CA -0.532 57.520 58.000 0.086 0.000 1.065 375 F CB 1.344 40.381 39.000 0.063 0.000 1.184 375 F HN 0.290 nan 8.300 nan 0.000 0.499 376 L N 1.535 122.879 121.223 0.202 0.000 2.781 376 L HA 0.249 4.618 4.340 0.049 0.000 0.245 376 L C 2.231 179.064 176.870 -0.062 0.000 1.118 376 L CA 0.021 54.889 54.840 0.047 0.000 0.918 376 L CB -0.068 41.976 42.059 -0.025 0.000 1.246 376 L HN 0.633 nan 8.230 nan 0.000 0.526 377 R N 1.218 121.683 120.500 -0.058 0.000 2.105 377 R HA -0.151 4.219 4.340 0.049 0.000 0.239 377 R C 2.079 178.276 176.300 -0.171 0.000 1.135 377 R CA 1.799 57.822 56.100 -0.128 0.000 0.967 377 R CB -0.261 29.967 30.300 -0.120 0.000 0.861 377 R HN 0.366 nan 8.270 nan 0.000 0.442 378 G N 1.864 110.567 108.800 -0.161 0.000 2.453 378 G HA2 -0.262 3.727 3.960 0.049 0.000 0.215 378 G HA3 -0.262 3.727 3.960 0.049 0.000 0.215 378 G C 1.510 176.264 174.900 -0.244 0.000 1.201 378 G CA 1.084 46.059 45.100 -0.209 0.000 0.784 378 G HN 0.510 nan 8.290 nan 0.000 0.545 379 I N -1.195 119.235 120.570 -0.233 0.000 2.423 379 I HA -0.064 4.136 4.170 0.049 0.000 0.254 379 I C 2.477 178.425 176.117 -0.281 0.000 1.151 379 I CA 1.071 62.229 61.300 -0.237 0.000 1.421 379 I CB -0.319 37.589 38.000 -0.153 0.000 1.079 379 I HN 0.121 nan 8.210 nan 0.000 0.431 380 I N 1.114 121.495 120.570 -0.315 0.000 2.353 380 I HA -0.151 4.049 4.170 0.049 0.000 0.248 380 I C 2.655 178.552 176.117 -0.367 0.000 1.119 380 I CA 1.071 62.097 61.300 -0.456 0.000 1.417 380 I CB -0.453 37.144 38.000 -0.671 0.000 1.078 380 I HN 0.254 nan 8.210 nan 0.000 0.421 381 E N 0.727 120.754 120.200 -0.289 0.000 2.110 381 E HA -0.270 4.110 4.350 0.049 0.000 0.193 381 E C 1.925 178.386 176.600 -0.231 0.000 0.988 381 E CA 1.090 57.358 56.400 -0.220 0.000 0.804 381 E CB -0.202 29.371 29.700 -0.213 0.000 0.745 381 E HN 0.551 nan 8.360 nan 0.000 0.458 382 E N 0.449 120.453 120.200 -0.327 0.000 2.110 382 E HA -0.184 4.195 4.350 0.049 0.000 0.193 382 E C 2.094 178.304 176.600 -0.649 0.000 0.988 382 E CA 0.533 56.667 56.400 -0.443 0.000 0.804 382 E CB 0.047 29.485 29.700 -0.436 0.000 0.745 382 E HN 0.040 nan 8.360 nan 0.000 0.458 383 L N 0.868 121.801 121.223 -0.484 0.000 2.027 383 L HA -0.131 4.238 4.340 0.049 0.000 0.206 383 L C 2.300 179.132 176.870 -0.062 0.000 1.074 383 L CA 1.451 56.104 54.840 -0.312 0.000 0.745 383 L CB -0.498 41.439 42.059 -0.204 0.000 0.898 383 L HN 0.251 nan 8.230 nan 0.000 0.433 384 L N -2.748 118.455 121.223 -0.032 0.000 2.141 384 L HA -0.233 4.136 4.340 0.049 0.000 0.209 384 L C 2.301 179.264 176.870 0.155 0.000 1.094 384 L CA 1.027 55.932 54.840 0.108 0.000 0.763 384 L CB -0.676 41.441 42.059 0.096 0.000 0.908 384 L HN 0.445 nan 8.230 nan 0.000 0.437 385 W N 0.426 121.633 121.300 -0.154 0.000 2.388 385 W HA -0.165 4.527 4.660 0.054 0.000 0.294 385 W C 2.157 178.655 176.519 -0.034 0.000 1.212 385 W CA 1.072 58.331 57.345 -0.143 0.000 1.271 385 W CB -0.164 29.124 29.460 -0.287 0.000 1.126 385 W HN -0.015 nan 8.180 nan 0.000 0.535 386 F N 0.395 120.300 119.950 -0.075 0.000 2.113 386 F HA -0.116 4.441 4.527 0.050 0.000 0.297 386 F C 2.303 178.067 175.800 -0.060 0.000 1.103 386 F CA 1.126 58.933 58.000 -0.322 0.000 1.248 386 F CB -1.485 37.177 39.000 -0.564 0.000 0.999 386 F HN -0.192 nan 8.300 nan 0.000 0.475 387 I N -0.155 120.618 120.570 0.339 0.000 2.264 387 I HA -0.304 3.895 4.170 0.049 0.000 0.248 387 I C 2.295 178.549 176.117 0.228 0.000 1.111 387 I CA 1.311 62.825 61.300 0.358 0.000 1.382 387 I CB -0.432 37.783 38.000 0.359 0.000 1.060 387 I HN 0.084 nan 8.210 nan 0.000 0.418 388 R N 0.678 121.271 120.500 0.155 0.000 2.235 388 R HA 0.027 4.396 4.340 0.049 0.000 0.213 388 R C 1.482 177.834 176.300 0.088 0.000 1.059 388 R CA 0.765 56.935 56.100 0.117 0.000 0.997 388 R CB -0.110 30.253 30.300 0.104 0.000 0.884 388 R HN 0.538 nan 8.270 nan 0.000 0.462 389 G N 1.589 110.411 108.800 0.037 0.000 2.136 389 G HA2 -0.277 3.712 3.960 0.049 0.000 0.242 389 G HA3 -0.277 3.712 3.960 0.049 0.000 0.242 389 G C -0.225 174.646 174.900 -0.048 0.000 0.989 389 G CA -0.037 45.085 45.100 0.038 0.000 0.682 389 G HN 0.376 nan 8.290 nan 0.000 0.522 390 E N -0.227 119.799 120.200 -0.290 0.000 2.392 390 E HA 0.467 4.846 4.350 0.049 0.000 0.259 390 E C 1.316 177.526 176.600 -0.650 0.000 1.108 390 E CA 0.582 56.741 56.400 -0.401 0.000 0.916 390 E CB 0.524 29.933 29.700 -0.485 0.000 0.989 390 E HN 0.508 nan 8.360 nan 0.000 0.432 391 T N -2.132 112.222 114.554 -0.334 0.000 3.192 391 T HA 0.046 4.425 4.350 0.049 0.000 0.295 391 T C -0.006 174.679 174.700 -0.025 0.000 0.947 391 T CA -0.580 61.340 62.100 -0.300 0.000 0.916 391 T CB 0.049 68.819 68.868 -0.163 0.000 1.169 391 T HN 0.176 nan 8.240 nan 0.000 0.540 392 N N 1.677 120.440 118.700 0.106 0.000 2.437 392 N HA 0.365 5.135 4.740 0.049 0.000 0.243 392 N C 1.454 177.152 175.510 0.313 0.000 1.041 392 N CA 0.056 53.190 53.050 0.141 0.000 0.940 392 N CB 1.163 39.672 38.487 0.037 0.000 1.133 392 N HN 0.381 nan 8.380 nan 0.000 0.506 393 G N 3.250 112.154 108.800 0.174 0.000 2.470 393 G HA2 -0.230 3.759 3.960 0.049 0.000 0.220 393 G HA3 -0.230 3.759 3.960 0.049 0.000 0.220 393 G C 1.228 176.096 174.900 -0.054 0.000 1.121 393 G CA 0.369 45.484 45.100 0.025 0.000 0.766 393 G HN 0.658 nan 8.290 nan 0.000 0.553 394 N N 0.038 118.742 118.700 0.007 0.000 2.166 394 N HA -0.100 4.670 4.740 0.049 0.000 0.186 394 N C 2.213 177.708 175.510 -0.025 0.000 1.019 394 N CA 1.425 54.476 53.050 0.000 0.000 0.856 394 N CB -0.138 38.377 38.487 0.046 0.000 0.993 394 N HN 0.177 nan 8.380 nan 0.000 0.426 395 T N 1.464 116.021 114.554 0.005 0.000 2.665 395 T HA -0.123 4.256 4.350 0.049 0.000 0.268 395 T C 1.924 176.526 174.700 -0.164 0.000 1.035 395 T CA 0.943 63.038 62.100 -0.008 0.000 1.151 395 T CB -0.292 68.665 68.868 0.148 0.000 0.862 395 T HN 0.169 nan 8.240 nan 0.000 0.438 396 L N 0.267 121.265 121.223 -0.374 0.000 2.044 396 L HA 0.031 4.400 4.340 0.049 0.000 0.205 396 L C 2.500 179.217 176.870 -0.256 0.000 1.075 396 L CA 1.024 55.593 54.840 -0.452 0.000 0.747 396 L CB -0.627 40.987 42.059 -0.741 0.000 0.903 396 L HN 0.238 nan 8.230 nan 0.000 0.435 397 L N -0.039 121.070 121.223 -0.191 0.000 2.191 397 L HA -0.185 4.184 4.340 0.049 0.000 0.212 397 L C 1.927 178.742 176.870 -0.091 0.000 1.103 397 L CA 0.746 55.513 54.840 -0.121 0.000 0.769 397 L CB -0.617 41.395 42.059 -0.079 0.000 0.908 397 L HN 0.373 nan 8.230 nan 0.000 0.438 398 N N 0.276 118.928 118.700 -0.081 0.000 2.494 398 N HA -0.075 4.694 4.740 0.049 0.000 0.182 398 N C 1.203 176.675 175.510 -0.064 0.000 1.076 398 N CA 0.868 53.886 53.050 -0.053 0.000 0.908 398 N CB 0.132 38.603 38.487 -0.027 0.000 0.967 398 N HN 0.387 nan 8.380 nan 0.000 0.449 399 K N 0.213 120.557 120.400 -0.094 0.000 2.373 399 K HA 0.205 4.555 4.320 0.049 0.000 0.202 399 K C -0.262 176.273 176.600 -0.109 0.000 1.025 399 K CA -0.191 56.039 56.287 -0.096 0.000 1.115 399 K CB 0.503 32.935 32.500 -0.114 0.000 0.858 399 K HN -0.038 nan 8.250 nan 0.000 0.525 400 N N 0.868 119.504 118.700 -0.108 0.000 2.783 400 N HA -0.139 4.630 4.740 0.049 0.000 0.247 400 N C -1.362 174.068 175.510 -0.133 0.000 1.089 400 N CA 0.492 53.478 53.050 -0.108 0.000 0.690 400 N CB -0.962 37.468 38.487 -0.095 0.000 0.991 400 N HN -0.078 nan 8.380 nan 0.000 0.552 401 V N 1.386 121.203 119.914 -0.162 0.000 2.304 401 V HA 0.246 4.396 4.120 0.049 0.000 0.278 401 V C 1.067 177.050 176.094 -0.184 0.000 1.018 401 V CA -0.343 61.842 62.300 -0.192 0.000 0.814 401 V CB 1.418 33.094 31.823 -0.245 0.000 1.021 401 V HN 0.128 nan 8.190 nan 0.000 0.440 402 R N 3.383 123.790 120.500 -0.155 0.000 2.568 402 R HA 0.386 4.755 4.340 0.049 0.000 0.288 402 R C 1.382 177.594 176.300 -0.147 0.000 1.077 402 R CA -0.050 55.972 56.100 -0.131 0.000 1.102 402 R CB 0.087 30.325 30.300 -0.103 0.000 1.278 402 R HN 0.670 nan 8.270 nan 0.000 0.560 403 I N -0.888 119.576 120.570 -0.178 0.000 2.208 403 I HA -0.251 3.948 4.170 0.049 0.000 0.245 403 I C 0.981 176.908 176.117 -0.317 0.000 1.097 403 I CA 1.590 62.740 61.300 -0.250 0.000 1.363 403 I CB 0.026 37.877 38.000 -0.247 0.000 1.051 403 I HN 0.371 nan 8.210 nan 0.000 0.413 404 W N 0.717 121.883 121.300 -0.222 0.000 3.239 404 W HA 0.143 4.833 4.660 0.050 0.000 0.348 404 W C 2.122 178.534 176.519 -0.177 0.000 1.183 404 W CA -0.301 56.938 57.345 -0.175 0.000 1.819 404 W CB -0.147 29.218 29.460 -0.159 0.000 1.091 404 W HN 0.084 nan 8.180 nan 0.000 0.629 405 E N 1.194 121.379 120.200 -0.025 0.000 2.023 405 E HA -0.254 4.125 4.350 0.049 0.000 0.196 405 E C 2.349 178.900 176.600 -0.081 0.000 1.003 405 E CA 2.078 58.451 56.400 -0.045 0.000 0.809 405 E CB -0.109 29.554 29.700 -0.062 0.000 0.755 405 E HN 0.134 nan 8.360 nan 0.000 0.449 406 A N 1.072 123.807 122.820 -0.141 0.000 1.978 406 A HA -0.187 4.162 4.320 0.049 0.000 0.220 406 A C 1.764 179.111 177.584 -0.395 0.000 1.170 406 A CA 1.568 53.493 52.037 -0.186 0.000 0.636 406 A CB -0.529 18.362 19.000 -0.181 0.000 0.810 406 A HN 0.315 nan 8.150 nan 0.000 0.448 407 N N -0.324 118.075 118.700 -0.503 0.000 2.521 407 N HA -0.023 4.747 4.740 0.049 0.000 0.188 407 N C 1.254 176.598 175.510 -0.276 0.000 1.146 407 N CA 0.996 53.527 53.050 -0.865 0.000 0.893 407 N CB 0.111 38.315 38.487 -0.470 0.000 0.975 407 N HN 0.509 nan 8.380 nan 0.000 0.451 408 G N 0.356 109.113 108.800 -0.072 0.000 3.377 408 G HA2 -0.018 3.971 3.960 0.049 0.000 0.257 408 G HA3 -0.018 3.971 3.960 0.049 0.000 0.257 408 G C 0.546 175.490 174.900 0.073 0.000 1.038 408 G CA -0.119 45.013 45.100 0.054 0.000 0.809 408 G HN 0.255 nan 8.290 nan 0.000 0.526 409 T N -1.832 112.768 114.554 0.075 0.000 2.860 409 T HA 0.265 4.644 4.350 0.049 0.000 0.299 409 T C 1.515 176.288 174.700 0.120 0.000 1.045 409 T CA -0.332 61.822 62.100 0.090 0.000 1.071 409 T CB 2.083 71.002 68.868 0.085 0.000 0.985 409 T HN 0.052 nan 8.240 nan 0.000 0.537 410 R N 1.222 121.774 120.500 0.087 0.000 2.096 410 R HA -0.145 4.224 4.340 0.049 0.000 0.240 410 R C 2.032 178.380 176.300 0.080 0.000 1.139 410 R CA 2.110 58.257 56.100 0.077 0.000 0.952 410 R CB -0.999 29.338 30.300 0.063 0.000 0.854 410 R HN 0.856 nan 8.270 nan 0.000 0.436 411 E N -0.449 119.803 120.200 0.088 0.000 2.017 411 E HA -0.150 4.229 4.350 0.049 0.000 0.193 411 E C 1.742 178.385 176.600 0.072 0.000 0.997 411 E CA 1.686 58.131 56.400 0.075 0.000 0.804 411 E CB -0.610 29.136 29.700 0.077 0.000 0.757 411 E HN 0.364 nan 8.360 nan 0.000 0.448 412 F N 0.847 120.791 119.950 -0.009 0.000 2.126 412 F HA -0.159 4.398 4.527 0.050 0.000 0.299 412 F C 1.830 177.602 175.800 -0.047 0.000 1.096 412 F CA 1.310 59.298 58.000 -0.019 0.000 1.255 412 F CB -0.120 38.877 39.000 -0.004 0.000 0.997 412 F HN -0.042 nan 8.300 nan 0.000 0.479 413 L N -0.292 121.039 121.223 0.180 0.000 2.046 413 L HA -0.225 4.144 4.340 0.049 0.000 0.208 413 L C 2.116 178.869 176.870 -0.196 0.000 1.077 413 L CA 1.458 56.317 54.840 0.033 0.000 0.747 413 L CB -0.825 41.271 42.059 0.062 0.000 0.896 413 L HN 0.067 nan 8.230 nan 0.000 0.432 414 D N -0.236 120.070 120.400 -0.157 0.000 2.144 414 D HA -0.190 4.479 4.640 0.049 0.000 0.200 414 D C 1.888 177.992 176.300 -0.325 0.000 0.978 414 D CA 1.169 55.020 54.000 -0.248 0.000 0.833 414 D CB -0.260 40.573 40.800 0.055 0.000 0.961 414 D HN 0.266 nan 8.370 nan 0.000 0.470 415 N N 0.376 118.929 118.700 -0.244 0.000 2.289 415 N HA -0.124 4.645 4.740 0.049 0.000 0.184 415 N C 1.374 176.678 175.510 -0.344 0.000 1.016 415 N CA 0.713 53.609 53.050 -0.257 0.000 0.872 415 N CB 0.188 38.497 38.487 -0.297 0.000 0.973 415 N HN -0.136 nan 8.380 nan 0.000 0.433 416 R N 0.907 121.148 120.500 -0.432 0.000 2.313 416 R HA 0.091 4.460 4.340 0.049 0.000 0.199 416 R C 0.003 176.077 176.300 -0.376 0.000 0.958 416 R CA 0.145 56.023 56.100 -0.370 0.000 1.047 416 R CB -0.132 29.976 30.300 -0.320 0.000 0.955 416 R HN 0.302 nan 8.270 nan 0.000 0.481 417 K N -0.092 119.953 120.400 -0.593 0.000 3.281 417 K HA -0.171 4.178 4.320 0.049 0.000 0.295 417 K C -0.163 175.881 176.600 -0.926 0.000 1.233 417 K CA 0.656 56.378 56.287 -0.940 0.000 0.866 417 K CB -1.869 30.446 32.500 -0.309 0.000 1.265 417 K HN 0.220 nan 8.250 nan 0.000 0.482 418 L N 1.342 122.137 121.223 -0.713 0.000 2.865 418 L HA 0.208 4.577 4.340 0.049 0.000 0.233 418 L C 1.115 177.796 176.870 -0.315 0.000 1.320 418 L CA -0.483 54.144 54.840 -0.354 0.000 1.225 418 L CB -0.407 41.544 42.059 -0.181 0.000 1.542 418 L HN 0.031 nan 8.230 nan 0.000 0.432 419 F N -1.137 118.760 119.950 -0.087 0.000 2.250 419 F HA -0.167 4.390 4.527 0.049 0.000 0.301 419 F C 2.097 177.696 175.800 -0.335 0.000 1.077 419 F CA 0.976 58.842 58.000 -0.223 0.000 1.348 419 F CB -0.463 38.343 39.000 -0.323 0.000 1.040 419 F HN 0.410 nan 8.300 nan 0.000 0.509 420 H N -0.436 118.730 119.070 0.160 0.000 2.507 420 H HA 0.289 4.875 4.556 0.049 0.000 0.294 420 H C 0.226 175.600 175.328 0.077 0.000 1.064 420 H CA -0.138 55.977 56.048 0.112 0.000 1.138 420 H CB 0.007 29.829 29.762 0.100 0.000 1.515 420 H HN 0.018 nan 8.280 nan 0.000 0.547 421 R N 1.734 122.302 120.500 0.114 0.000 2.407 421 R HA 0.143 4.513 4.340 0.049 0.000 0.303 421 R C -0.108 176.245 176.300 0.088 0.000 0.981 421 R CA -0.497 55.660 56.100 0.096 0.000 0.905 421 R CB 0.910 31.243 30.300 0.056 0.000 1.099 421 R HN 0.211 nan 8.270 nan 0.000 0.459 422 E N 2.526 122.785 120.200 0.100 0.000 2.404 422 E HA 0.089 4.469 4.350 0.049 0.000 0.261 422 E C -0.639 176.009 176.600 0.081 0.000 1.074 422 E CA -0.494 55.965 56.400 0.098 0.000 0.917 422 E CB 0.858 30.634 29.700 0.125 0.000 0.965 422 E HN 0.377 nan 8.360 nan 0.000 0.433 423 V N 4.776 124.737 119.914 0.078 0.000 2.617 423 V HA -0.108 4.042 4.120 0.049 0.000 0.304 423 V C 0.685 176.818 176.094 0.064 0.000 1.040 423 V CA 1.540 63.882 62.300 0.071 0.000 1.149 423 V CB -0.145 31.717 31.823 0.065 0.000 0.914 423 V HN 1.073 nan 8.190 nan 0.000 0.487 424 N N 1.165 119.903 118.700 0.063 0.000 2.965 424 N HA -0.168 4.601 4.740 0.049 0.000 0.232 424 N C 0.112 175.651 175.510 0.048 0.000 0.913 424 N CA 0.930 54.014 53.050 0.057 0.000 0.981 424 N CB -0.500 38.013 38.487 0.043 0.000 1.077 424 N HN 0.828 nan 8.380 nan 0.000 0.589 425 D N 1.351 121.777 120.400 0.043 0.000 2.468 425 D HA 0.182 4.851 4.640 0.049 0.000 0.218 425 D C 1.037 177.348 176.300 0.019 0.000 1.155 425 D CA -0.200 53.816 54.000 0.028 0.000 0.924 425 D CB 0.295 41.125 40.800 0.049 0.000 1.029 425 D HN 0.277 nan 8.370 nan 0.000 0.515 426 L N 2.656 123.874 121.223 -0.008 0.000 2.456 426 L HA 0.103 4.473 4.340 0.049 0.000 0.224 426 L C 1.618 178.364 176.870 -0.206 0.000 1.148 426 L CA 0.539 55.352 54.840 -0.045 0.000 0.825 426 L CB -0.826 41.200 42.059 -0.054 0.000 0.937 426 L HN 0.600 nan 8.230 nan 0.000 0.450 427 G N 0.262 108.836 108.800 -0.377 0.000 2.660 427 G HA2 -0.196 3.793 3.960 0.049 0.000 0.215 427 G HA3 -0.196 3.793 3.960 0.049 0.000 0.215 427 G C -2.491 171.645 174.900 -1.274 0.000 1.345 427 G CA -0.379 44.171 45.100 -0.916 0.000 0.877 427 G HN 0.046 nan 8.290 nan 0.000 0.549 428 P HA 0.240 nan 4.420 nan 0.000 0.231 428 P C 0.834 177.863 177.300 -0.453 0.000 1.756 428 P CA 0.197 62.714 63.100 -0.973 0.000 0.990 428 P CB -1.051 30.188 31.700 -0.768 0.000 1.973 429 I N -3.360 116.951 120.570 -0.431 0.000 3.562 429 I HA 0.183 4.383 4.170 0.049 0.000 0.285 429 I C 1.600 177.501 176.117 -0.359 0.000 1.211 429 I CA -1.022 60.045 61.300 -0.388 0.000 0.887 429 I CB -0.356 37.419 38.000 -0.375 0.000 1.581 429 I HN -0.114 nan 8.210 nan 0.000 0.735 430 Y N 1.738 121.782 120.300 -0.426 0.000 1.876 430 Y HA -0.343 4.236 4.550 0.049 0.000 0.218 430 Y C 2.686 178.083 175.900 -0.839 0.000 1.157 430 Y CA 2.634 60.227 58.100 -0.845 0.000 1.004 430 Y CB -1.811 35.719 38.460 -1.551 0.000 0.825 430 Y HN 0.800 nan 8.280 nan 0.000 0.532 431 G N -0.915 107.556 108.800 -0.548 0.000 2.649 431 G HA2 -0.390 3.599 3.960 0.049 0.000 0.220 431 G HA3 -0.390 3.599 3.960 0.049 0.000 0.220 431 G C 1.633 176.495 174.900 -0.064 0.000 1.189 431 G CA 1.465 46.377 45.100 -0.313 0.000 0.777 431 G HN 0.423 nan 8.290 nan 0.000 0.602 432 F N 1.346 121.179 119.950 -0.195 0.000 2.095 432 F HA -0.116 4.440 4.527 0.048 0.000 0.298 432 F C 3.021 178.836 175.800 0.026 0.000 1.104 432 F CA 2.166 60.133 58.000 -0.055 0.000 1.232 432 F CB -0.119 38.767 39.000 -0.189 0.000 0.987 432 F HN 0.106 nan 8.300 nan 0.000 0.475 433 Q N -0.895 118.961 119.800 0.093 0.000 2.170 433 Q HA -0.208 4.161 4.340 0.049 0.000 0.203 433 Q C 2.069 178.282 176.000 0.354 0.000 0.976 433 Q CA 1.370 57.276 55.803 0.172 0.000 0.858 433 Q CB -0.914 27.948 28.738 0.207 0.000 0.907 433 Q HN 0.540 nan 8.270 nan 0.000 0.433 434 W N 0.783 122.099 121.300 0.027 0.000 2.467 434 W HA -0.034 4.656 4.660 0.049 0.000 0.275 434 W C 1.591 178.072 176.519 -0.064 0.000 1.239 434 W CA 0.573 57.935 57.345 0.028 0.000 1.266 434 W CB 0.088 29.567 29.460 0.033 0.000 1.112 434 W HN 0.127 nan 8.180 nan 0.000 0.576 435 R N -1.486 119.017 120.500 0.005 0.000 2.446 435 R HA 0.134 4.503 4.340 0.049 0.000 0.254 435 R C 0.229 176.058 176.300 -0.785 0.000 0.918 435 R CA 0.458 56.346 56.100 -0.354 0.000 1.069 435 R CB -0.315 29.720 30.300 -0.443 0.000 1.194 435 R HN 0.290 nan 8.270 nan 0.000 0.534 436 H N -1.001 117.906 119.070 -0.272 0.000 3.043 436 H HA 0.136 4.721 4.556 0.048 0.000 0.244 436 H C -0.552 174.553 175.328 -0.371 0.000 1.199 436 H CA -0.878 54.905 56.048 -0.442 0.000 0.956 436 H CB -0.105 29.082 29.762 -0.958 0.000 2.305 436 H HN -0.079 nan 8.280 nan 0.000 0.665 437 F N 2.633 122.473 119.950 -0.184 0.000 2.580 437 F HA 0.208 4.764 4.527 0.048 0.000 0.398 437 F C 1.473 177.261 175.800 -0.019 0.000 1.023 437 F CA 2.214 60.176 58.000 -0.063 0.000 1.188 437 F CB 0.311 39.315 39.000 0.007 0.000 1.005 437 F HN 0.550 nan 8.300 nan 0.000 0.546 438 G N 3.267 112.045 108.800 -0.036 0.000 2.232 438 G HA2 -0.098 3.891 3.960 0.049 0.000 0.226 438 G HA3 -0.098 3.891 3.960 0.049 0.000 0.226 438 G C 0.270 175.223 174.900 0.089 0.000 0.996 438 G CA -0.089 45.071 45.100 0.100 0.000 0.626 438 G HN 1.314 nan 8.290 nan 0.000 0.509 439 A N 0.086 122.956 122.820 0.083 0.000 2.386 439 A HA 0.636 4.985 4.320 0.049 0.000 0.248 439 A C 0.328 178.077 177.584 0.275 0.000 1.082 439 A CA 0.485 52.622 52.037 0.166 0.000 0.789 439 A CB 0.416 19.485 19.000 0.115 0.000 1.025 439 A HN 0.481 nan 8.150 nan 0.000 0.490 440 E N 0.269 120.617 120.200 0.245 0.000 2.180 440 E HA 0.279 4.659 4.350 0.049 0.000 0.283 440 E C -1.206 175.537 176.600 0.238 0.000 1.061 440 E CA 0.166 56.684 56.400 0.196 0.000 0.861 440 E CB 0.102 29.882 29.700 0.133 0.000 1.056 440 E HN 0.432 nan 8.360 nan 0.000 0.407 441 Y N 3.790 124.064 120.300 -0.044 0.000 2.402 441 Y HA 0.101 4.681 4.550 0.049 0.000 0.333 441 Y C 1.268 177.139 175.900 -0.049 0.000 1.076 441 Y CA 0.671 58.605 58.100 -0.277 0.000 1.299 441 Y CB 0.724 38.798 38.460 -0.643 0.000 1.197 441 Y HN 0.681 nan 8.280 nan 0.000 0.517 442 T N 1.088 115.414 114.554 -0.380 0.000 3.286 442 T HA 0.260 4.639 4.350 0.049 0.000 0.237 442 T C -0.164 174.319 174.700 -0.361 0.000 0.969 442 T CA 0.494 62.456 62.100 -0.229 0.000 1.298 442 T CB -0.078 68.709 68.868 -0.134 0.000 1.053 442 T HN 0.662 nan 8.240 nan 0.000 0.402 443 N N 0.128 118.538 118.700 -0.485 0.000 2.591 443 N HA 0.314 5.083 4.740 0.049 0.000 0.263 443 N C 0.698 176.028 175.510 -0.301 0.000 1.308 443 N CA -0.644 52.223 53.050 -0.304 0.000 0.837 443 N CB 1.038 39.500 38.487 -0.042 0.000 1.548 443 N HN 0.354 nan 8.380 nan 0.000 0.493 444 M N -1.322 118.193 119.600 -0.142 0.000 2.530 444 M HA -0.029 4.480 4.480 0.049 0.000 0.261 444 M C -0.227 175.953 176.300 -0.200 0.000 1.067 444 M CA 1.336 56.557 55.300 -0.131 0.000 1.071 444 M CB -0.525 31.944 32.600 -0.220 0.000 1.405 444 M HN 0.584 nan 8.290 nan 0.000 0.478 445 Y N 0.383 120.670 120.300 -0.022 0.000 2.478 445 Y HA 0.280 4.860 4.550 0.049 0.000 0.261 445 Y C 0.946 176.766 175.900 -0.134 0.000 1.127 445 Y CA -0.650 57.425 58.100 -0.043 0.000 1.288 445 Y CB -0.319 38.119 38.460 -0.038 0.000 1.084 445 Y HN 0.248 nan 8.280 nan 0.000 0.530 446 D N 0.908 121.225 120.400 -0.140 0.000 2.362 446 D HA -0.098 4.571 4.640 0.049 0.000 0.238 446 D C -0.154 175.821 176.300 -0.541 0.000 1.212 446 D CA 0.249 53.992 54.000 -0.428 0.000 0.902 446 D CB 0.435 40.771 40.800 -0.773 0.000 1.180 446 D HN 0.076 nan 8.370 nan 0.000 0.445 447 N N 2.191 120.594 118.700 -0.496 0.000 2.437 447 N HA 0.007 4.776 4.740 0.049 0.000 0.259 447 N C -0.687 174.560 175.510 -0.438 0.000 0.983 447 N CA -0.154 52.705 53.050 -0.320 0.000 0.937 447 N CB 0.261 38.658 38.487 -0.150 0.000 1.122 447 N HN 0.327 nan 8.380 nan 0.000 0.499 448 Y N 1.045 121.276 120.300 -0.114 0.000 2.507 448 Y HA 0.226 4.805 4.550 0.048 0.000 0.254 448 Y C 0.710 176.535 175.900 -0.124 0.000 1.171 448 Y CA -0.484 57.469 58.100 -0.245 0.000 1.238 448 Y CB -0.049 38.029 38.460 -0.637 0.000 1.148 448 Y HN 0.505 nan 8.280 nan 0.000 0.525 449 E N 2.338 122.612 120.200 0.123 0.000 2.868 449 E HA -0.174 4.206 4.350 0.049 0.000 0.246 449 E C 0.134 176.837 176.600 0.172 0.000 0.962 449 E CA 0.578 57.091 56.400 0.188 0.000 0.955 449 E CB -0.119 29.643 29.700 0.103 0.000 0.903 449 E HN 0.394 nan 8.360 nan 0.000 0.524 450 N N 2.440 121.268 118.700 0.213 0.000 2.850 450 N HA -0.179 4.590 4.740 0.049 0.000 0.249 450 N C -1.142 174.464 175.510 0.159 0.000 1.060 450 N CA 1.095 54.232 53.050 0.146 0.000 0.825 450 N CB -0.807 37.734 38.487 0.091 0.000 1.132 450 N HN 0.479 nan 8.380 nan 0.000 0.564 451 K N 0.813 121.359 120.400 0.243 0.000 2.123 451 K HA 0.606 4.955 4.320 0.049 0.000 0.259 451 K C 0.974 177.704 176.600 0.217 0.000 0.960 451 K CA 0.172 56.578 56.287 0.198 0.000 0.872 451 K CB 1.527 34.141 32.500 0.190 0.000 1.079 451 K HN 0.254 nan 8.250 nan 0.000 0.440 452 G N 0.189 109.069 108.800 0.133 0.000 2.796 452 G HA2 -0.232 3.758 3.960 0.049 0.000 0.226 452 G HA3 -0.232 3.758 3.960 0.049 0.000 0.226 452 G C -0.798 174.150 174.900 0.081 0.000 1.381 452 G CA -0.902 44.260 45.100 0.103 0.000 0.867 452 G HN 0.384 nan 8.290 nan 0.000 0.552 453 V N 0.929 120.899 119.914 0.093 0.000 2.407 453 V HA 0.401 4.551 4.120 0.049 0.000 0.278 453 V C 0.282 176.374 176.094 -0.005 0.000 1.037 453 V CA 0.010 62.338 62.300 0.046 0.000 0.900 453 V CB 1.707 33.555 31.823 0.041 0.000 0.983 453 V HN 0.756 nan 8.190 nan 0.000 0.459 454 D N 3.960 124.335 120.400 -0.042 0.000 2.517 454 D HA 0.147 4.816 4.640 0.049 0.000 0.220 454 D C 1.236 177.514 176.300 -0.037 0.000 1.158 454 D CA 0.103 54.060 54.000 -0.072 0.000 0.992 454 D CB 0.798 41.554 40.800 -0.073 0.000 1.058 454 D HN 0.611 nan 8.370 nan 0.000 0.516 455 Q N 1.188 120.977 119.800 -0.019 0.000 2.096 455 Q HA -0.181 4.188 4.340 0.049 0.000 0.204 455 Q C 1.776 177.743 176.000 -0.056 0.000 0.982 455 Q CA 0.813 56.594 55.803 -0.037 0.000 0.850 455 Q CB 0.135 28.855 28.738 -0.030 0.000 0.901 455 Q HN 0.378 nan 8.270 nan 0.000 0.422 456 L N 1.436 122.631 121.223 -0.048 0.000 2.079 456 L HA -0.204 4.165 4.340 0.049 0.000 0.210 456 L C 2.173 179.016 176.870 -0.045 0.000 1.081 456 L CA 1.879 56.686 54.840 -0.055 0.000 0.752 456 L CB -0.387 41.696 42.059 0.039 0.000 0.896 456 L HN 0.054 nan 8.230 nan 0.000 0.433 457 K N -1.002 119.380 120.400 -0.029 0.000 2.062 457 K HA -0.138 4.211 4.320 0.049 0.000 0.205 457 K C 1.869 178.440 176.600 -0.047 0.000 1.051 457 K CA 1.244 57.513 56.287 -0.031 0.000 0.941 457 K CB -0.017 32.471 32.500 -0.021 0.000 0.719 457 K HN 0.391 nan 8.250 nan 0.000 0.440 458 N N 1.510 120.183 118.700 -0.046 0.000 2.120 458 N HA -0.187 4.582 4.740 0.049 0.000 0.188 458 N C 1.947 177.422 175.510 -0.059 0.000 1.024 458 N CA 1.672 54.694 53.050 -0.046 0.000 0.852 458 N CB -0.363 38.100 38.487 -0.040 0.000 1.003 458 N HN 0.464 nan 8.380 nan 0.000 0.424 459 I N -1.847 118.678 120.570 -0.075 0.000 2.439 459 I HA -0.023 4.177 4.170 0.049 0.000 0.251 459 I C 1.925 177.943 176.117 -0.164 0.000 1.139 459 I CA 0.982 62.222 61.300 -0.100 0.000 1.438 459 I CB -0.291 37.648 38.000 -0.103 0.000 1.085 459 I HN -0.088 nan 8.210 nan 0.000 0.427 460 I N 1.867 122.341 120.570 -0.159 0.000 2.315 460 I HA -0.202 3.997 4.170 0.049 0.000 0.248 460 I C 2.076 178.124 176.117 -0.115 0.000 1.117 460 I CA 1.159 62.360 61.300 -0.165 0.000 1.404 460 I CB -0.644 37.282 38.000 -0.123 0.000 1.071 460 I HN 0.351 nan 8.210 nan 0.000 0.419 461 N N 0.918 119.569 118.700 -0.083 0.000 2.171 461 N HA -0.062 4.707 4.740 0.049 0.000 0.184 461 N C 1.985 177.458 175.510 -0.062 0.000 1.021 461 N CA 1.076 54.088 53.050 -0.063 0.000 0.854 461 N CB -0.288 38.172 38.487 -0.045 0.000 0.994 461 N HN 0.310 nan 8.380 nan 0.000 0.426 462 L N 0.749 121.935 121.223 -0.063 0.000 2.131 462 L HA -0.065 4.304 4.340 0.049 0.000 0.210 462 L C 2.065 178.899 176.870 -0.061 0.000 1.092 462 L CA 0.803 55.614 54.840 -0.050 0.000 0.759 462 L CB -0.241 41.798 42.059 -0.034 0.000 0.903 462 L HN 0.116 nan 8.230 nan 0.000 0.435 463 I N -0.549 119.964 120.570 -0.094 0.000 2.353 463 I HA -0.257 3.942 4.170 0.049 0.000 0.248 463 I C 2.386 178.449 176.117 -0.091 0.000 1.119 463 I CA 1.227 62.463 61.300 -0.107 0.000 1.417 463 I CB -0.132 37.761 38.000 -0.178 0.000 1.078 463 I HN 0.186 nan 8.210 nan 0.000 0.421 464 K N 0.545 120.893 120.400 -0.086 0.000 2.116 464 K HA -0.025 4.324 4.320 0.049 0.000 0.203 464 K C 1.264 177.830 176.600 -0.058 0.000 1.052 464 K CA 1.044 57.288 56.287 -0.071 0.000 0.952 464 K CB 0.014 32.474 32.500 -0.066 0.000 0.729 464 K HN 0.317 nan 8.250 nan 0.000 0.446 465 N N 0.085 118.755 118.700 -0.051 0.000 2.197 465 N HA -0.029 4.740 4.740 0.049 0.000 0.201 465 N C -0.375 175.113 175.510 -0.037 0.000 1.148 465 N CA 0.483 53.508 53.050 -0.041 0.000 0.883 465 N CB 0.945 39.411 38.487 -0.035 0.000 1.012 465 N HN 0.040 nan 8.380 nan 0.000 0.507 466 D N 0.189 120.566 120.400 -0.039 0.000 3.100 466 D HA 0.150 4.820 4.640 0.049 0.000 0.350 466 D C -1.776 174.502 176.300 -0.035 0.000 1.310 466 D CA -1.354 52.627 54.000 -0.031 0.000 0.741 466 D CB 0.732 41.519 40.800 -0.023 0.000 1.248 466 D HN -0.096 nan 8.370 nan 0.000 0.527 467 P HA -0.210 nan 4.420 nan 0.000 0.218 467 P C 1.164 178.421 177.300 -0.071 0.000 1.146 467 P CA 1.407 64.468 63.100 -0.065 0.000 0.820 467 P CB -0.168 31.484 31.700 -0.080 0.000 0.778 468 T N -4.514 110.011 114.554 -0.049 0.000 3.129 468 T HA 0.089 4.468 4.350 0.049 0.000 0.251 468 T C 0.959 175.654 174.700 -0.007 0.000 1.117 468 T CA -0.216 61.861 62.100 -0.039 0.000 1.034 468 T CB -0.722 68.139 68.868 -0.013 0.000 0.968 468 T HN 0.054 nan 8.240 nan 0.000 0.526 469 S N 1.104 116.802 115.700 -0.003 0.000 2.568 469 S HA 0.175 4.674 4.470 0.049 0.000 0.282 469 S C 0.821 175.447 174.600 0.042 0.000 1.338 469 S CA -0.569 57.641 58.200 0.016 0.000 1.045 469 S CB 0.358 63.565 63.200 0.011 0.000 0.873 469 S HN 0.561 nan 8.310 nan 0.000 0.516 470 R N 2.480 123.009 120.500 0.047 0.000 2.586 470 R HA 0.264 4.633 4.340 0.049 0.000 0.336 470 R C 0.564 176.896 176.300 0.053 0.000 1.060 470 R CA -0.072 56.068 56.100 0.067 0.000 1.079 470 R CB 0.299 30.634 30.300 0.059 0.000 1.317 470 R HN 0.553 nan 8.270 nan 0.000 0.568 471 R N 0.560 121.088 120.500 0.046 0.000 2.629 471 R HA 0.298 4.667 4.340 0.049 0.000 0.386 471 R C -0.107 176.222 176.300 0.048 0.000 1.071 471 R CA -0.132 55.989 56.100 0.035 0.000 1.104 471 R CB 0.711 31.020 30.300 0.016 0.000 1.370 471 R HN 0.080 nan 8.270 nan 0.000 0.574 472 I N 2.425 123.045 120.570 0.084 0.000 2.270 472 I HA 0.122 4.322 4.170 0.049 0.000 0.300 472 I C -0.738 175.492 176.117 0.188 0.000 1.186 472 I CA -0.009 61.367 61.300 0.127 0.000 1.431 472 I CB -0.095 38.003 38.000 0.163 0.000 1.485 472 I HN -0.093 nan 8.210 nan 0.000 0.650 473 L N 5.428 126.724 121.223 0.122 0.000 2.370 473 L HA 0.538 4.907 4.340 0.049 0.000 0.266 473 L C -0.681 176.247 176.870 0.096 0.000 1.002 473 L CA -0.588 54.319 54.840 0.111 0.000 0.818 473 L CB 2.161 44.253 42.059 0.055 0.000 1.325 473 L HN 0.269 nan 8.230 nan 0.000 0.418 474 L N 2.614 123.904 121.223 0.113 0.000 2.316 474 L HA 0.577 4.946 4.340 0.049 0.000 0.280 474 L C -1.030 175.924 176.870 0.140 0.000 1.006 474 L CA -0.141 54.728 54.840 0.048 0.000 0.836 474 L CB 1.278 43.307 42.059 -0.050 0.000 1.221 474 L HN 0.725 nan 8.230 nan 0.000 0.418 475 C N 4.224 123.628 119.300 0.173 0.000 2.322 475 C HA 0.787 5.276 4.460 0.049 0.000 0.324 475 C C 1.298 176.567 174.990 0.464 0.000 1.284 475 C CA -0.047 59.143 59.018 0.287 0.000 1.606 475 C CB 0.508 28.362 27.740 0.190 0.000 2.251 475 C HN 0.974 nan 8.230 nan 0.000 0.502 476 A N 5.040 128.178 122.820 0.529 0.000 2.267 476 A HA 0.200 4.549 4.320 0.049 0.000 0.213 476 A C 0.811 178.601 177.584 0.344 0.000 1.192 476 A CA -0.202 52.111 52.037 0.461 0.000 0.851 476 A CB -0.056 19.212 19.000 0.447 0.000 0.881 476 A HN 0.924 nan 8.150 nan 0.000 0.494 477 W N 2.443 123.872 121.300 0.214 0.000 2.072 477 W HA 0.243 4.932 4.660 0.047 0.000 0.413 477 W C -0.632 176.004 176.519 0.196 0.000 0.865 477 W CA -0.689 56.745 57.345 0.147 0.000 1.579 477 W CB 0.073 29.615 29.460 0.136 0.000 1.720 477 W HN 0.212 nan 8.180 nan 0.000 0.301 478 N N 3.838 122.527 118.700 -0.018 0.000 2.521 478 N HA 0.016 4.785 4.740 0.049 0.000 0.236 478 N C 0.920 176.257 175.510 -0.289 0.000 1.067 478 N CA 0.082 53.070 53.050 -0.104 0.000 0.939 478 N CB 1.143 39.325 38.487 -0.509 0.000 1.201 478 N HN 0.171 nan 8.380 nan 0.000 0.511 479 V N 4.180 124.005 119.914 -0.148 0.000 2.380 479 V HA -0.256 3.893 4.120 0.049 0.000 0.251 479 V C 2.435 178.433 176.094 -0.161 0.000 1.063 479 V CA 1.722 63.915 62.300 -0.177 0.000 1.055 479 V CB -0.438 31.414 31.823 0.049 0.000 0.657 479 V HN 0.675 nan 8.190 nan 0.000 0.455 480 K N -0.291 120.041 120.400 -0.115 0.000 2.147 480 K HA -0.194 4.155 4.320 0.049 0.000 0.205 480 K C 1.302 177.810 176.600 -0.153 0.000 1.049 480 K CA 1.706 57.931 56.287 -0.104 0.000 0.936 480 K CB -0.071 32.387 32.500 -0.069 0.000 0.722 480 K HN 0.465 nan 8.250 nan 0.000 0.446 481 D N 0.351 120.614 120.400 -0.228 0.000 2.349 481 D HA 0.037 4.706 4.640 0.049 0.000 0.214 481 D C 1.626 177.754 176.300 -0.287 0.000 1.063 481 D CA 0.043 53.897 54.000 -0.244 0.000 0.847 481 D CB 0.254 40.891 40.800 -0.271 0.000 0.933 481 D HN 0.179 nan 8.370 nan 0.000 0.513 482 L N 0.822 121.840 121.223 -0.341 0.000 1.997 482 L HA -0.229 4.140 4.340 0.049 0.000 0.216 482 L C 1.720 178.434 176.870 -0.260 0.000 1.074 482 L CA 1.354 55.959 54.840 -0.391 0.000 0.763 482 L CB -0.354 41.403 42.059 -0.503 0.000 0.890 482 L HN -0.042 nan 8.230 nan 0.000 0.434 483 D N -0.402 119.881 120.400 -0.195 0.000 2.263 483 D HA -0.175 4.494 4.640 0.049 0.000 0.208 483 D C 2.167 178.382 176.300 -0.142 0.000 0.971 483 D CA 1.006 54.921 54.000 -0.142 0.000 0.867 483 D CB -0.117 40.620 40.800 -0.104 0.000 0.929 483 D HN 0.500 nan 8.370 nan 0.000 0.492 484 Q N -0.630 119.067 119.800 -0.172 0.000 2.451 484 Q HA 0.134 4.503 4.340 0.049 0.000 0.206 484 Q C 0.499 176.358 176.000 -0.235 0.000 0.947 484 Q CA 0.132 55.826 55.803 -0.182 0.000 0.937 484 Q CB 0.282 28.903 28.738 -0.196 0.000 1.025 484 Q HN 0.301 nan 8.270 nan 0.000 0.511 485 M N -0.439 119.027 119.600 -0.223 0.000 2.274 485 M HA 0.261 4.770 4.480 0.049 0.000 0.344 485 M C 1.093 177.360 176.300 -0.055 0.000 1.161 485 M CA -0.318 54.862 55.300 -0.199 0.000 1.126 485 M CB 1.039 33.515 32.600 -0.206 0.000 1.522 485 M HN 0.042 nan 8.290 nan 0.000 0.461 486 A N 3.578 126.420 122.820 0.035 0.000 1.986 486 A HA 0.024 4.373 4.320 0.049 0.000 0.220 486 A C 0.687 178.469 177.584 0.330 0.000 1.171 486 A CA 1.486 53.661 52.037 0.230 0.000 0.640 486 A CB -0.483 18.682 19.000 0.274 0.000 0.811 486 A HN 0.817 nan 8.150 nan 0.000 0.451 487 L N -5.896 115.451 121.223 0.207 0.000 2.672 487 L HA 0.594 4.963 4.340 0.049 0.000 0.256 487 L C -3.444 173.472 176.870 0.076 0.000 0.946 487 L CA -2.091 52.857 54.840 0.180 0.000 0.889 487 L CB 1.371 43.592 42.059 0.270 0.000 1.441 487 L HN -0.245 nan 8.230 nan 0.000 0.418 488 P HA 0.229 nan 4.420 nan 0.000 0.268 488 P C -2.521 174.855 177.300 0.126 0.000 1.205 488 P CA -0.627 62.460 63.100 -0.022 0.000 0.771 488 P CB -0.061 31.665 31.700 0.042 0.000 0.858 489 P HA -0.047 nan 4.420 nan 0.000 0.264 489 P C 0.152 177.639 177.300 0.311 0.000 1.193 489 P CA 0.213 63.358 63.100 0.076 0.000 0.763 489 P CB 0.542 32.181 31.700 -0.103 0.000 0.810 490 C N 2.046 121.476 119.300 0.217 0.000 2.475 490 C HA -0.024 4.465 4.460 0.049 0.000 0.279 490 C C 1.246 176.275 174.990 0.065 0.000 1.322 490 C CA 0.570 59.620 59.018 0.054 0.000 1.734 490 C CB -1.659 25.980 27.740 -0.167 0.000 2.005 490 C HN 0.639 nan 8.230 nan 0.000 0.495 491 H N 0.776 120.133 119.070 0.479 0.000 2.821 491 H HA 0.201 4.785 4.556 0.047 0.000 0.262 491 H C 1.193 176.783 175.328 0.436 0.000 1.402 491 H CA -0.652 55.615 56.048 0.366 0.000 1.293 491 H CB 0.236 30.173 29.762 0.292 0.000 1.533 491 H HN 0.135 nan 8.280 nan 0.000 0.528 492 I N 1.844 122.674 120.570 0.433 0.000 2.091 492 I HA -0.225 3.974 4.170 0.049 0.000 0.239 492 I C 0.792 177.135 176.117 0.377 0.000 1.061 492 I CA 1.496 63.027 61.300 0.384 0.000 1.317 492 I CB -0.743 37.409 38.000 0.254 0.000 1.031 492 I HN 0.438 nan 8.210 nan 0.000 0.401 493 L N -3.300 118.108 121.223 0.308 0.000 2.765 493 L HA 0.586 4.955 4.340 0.049 0.000 0.263 493 L C -1.263 175.697 176.870 0.150 0.000 1.068 493 L CA -1.100 53.888 54.840 0.246 0.000 0.903 493 L CB 1.878 44.036 42.059 0.165 0.000 1.512 493 L HN -0.194 nan 8.230 nan 0.000 0.404 494 C N 0.488 119.848 119.300 0.101 0.000 2.441 494 C HA 0.788 5.278 4.460 0.049 0.000 0.318 494 C C -0.545 174.342 174.990 -0.171 0.000 1.222 494 C CA -0.212 58.769 59.018 -0.062 0.000 1.474 494 C CB 1.456 29.194 27.740 -0.003 0.000 2.125 494 C HN 0.849 nan 8.230 nan 0.000 0.479 495 Q N 1.957 121.587 119.800 -0.284 0.000 2.353 495 Q HA 0.715 5.084 4.340 0.049 0.000 0.268 495 Q C -1.710 174.085 176.000 -0.342 0.000 1.045 495 Q CA -0.337 55.360 55.803 -0.176 0.000 0.811 495 Q CB 1.288 30.000 28.738 -0.044 0.000 1.305 495 Q HN 0.661 nan 8.270 nan 0.000 0.447 496 F N 1.980 121.989 119.950 0.098 0.000 2.507 496 F HA 0.513 5.069 4.527 0.048 0.000 0.327 496 F C -0.774 175.128 175.800 0.171 0.000 1.068 496 F CA -0.695 57.372 58.000 0.112 0.000 0.965 496 F CB 1.395 40.425 39.000 0.049 0.000 1.192 496 F HN 0.494 nan 8.300 nan 0.000 0.476 497 Y N 1.197 121.626 120.300 0.215 0.000 2.492 497 Y HA 0.748 5.327 4.550 0.048 0.000 0.346 497 Y C -1.820 174.165 175.900 0.141 0.000 0.997 497 Y CA -1.108 57.074 58.100 0.136 0.000 1.025 497 Y CB 1.728 40.239 38.460 0.086 0.000 1.263 497 Y HN 0.354 nan 8.280 nan 0.000 0.454 498 V N 6.583 126.270 119.914 -0.378 0.000 2.638 498 V HA 0.575 4.725 4.120 0.049 0.000 0.306 498 V C -1.477 174.441 176.094 -0.294 0.000 1.052 498 V CA -0.933 61.229 62.300 -0.229 0.000 0.885 498 V CB 1.760 33.506 31.823 -0.128 0.000 0.999 498 V HN 0.643 nan 8.190 nan 0.000 0.424 499 F N 3.256 123.059 119.950 -0.245 0.000 2.622 499 F HA 0.534 5.090 4.527 0.048 0.000 0.318 499 F C -0.030 175.737 175.800 -0.055 0.000 1.135 499 F CA -0.551 57.353 58.000 -0.160 0.000 1.015 499 F CB 1.725 40.669 39.000 -0.093 0.000 1.275 499 F HN 0.683 nan 8.300 nan 0.000 0.457 500 D N 4.406 124.179 120.400 -1.046 0.000 2.708 500 D HA -0.128 4.541 4.640 0.049 0.000 0.236 500 D C 1.009 177.125 176.300 -0.307 0.000 1.146 500 D CA 2.312 55.865 54.000 -0.745 0.000 0.662 500 D CB -1.013 39.301 40.800 -0.811 0.000 1.059 500 D HN 1.664 nan 8.370 nan 0.000 0.428 501 G N -0.293 108.371 108.800 -0.226 0.000 2.153 501 G HA2 -0.361 3.628 3.960 0.049 0.000 0.252 501 G HA3 -0.361 3.628 3.960 0.049 0.000 0.252 501 G C 0.261 175.115 174.900 -0.076 0.000 0.994 501 G CA 0.779 45.803 45.100 -0.128 0.000 0.698 501 G HN 0.613 nan 8.290 nan 0.000 0.521 502 K N -0.904 119.467 120.400 -0.047 0.000 2.259 502 K HA 0.770 5.120 4.320 0.049 0.000 0.249 502 K C -0.698 175.931 176.600 0.049 0.000 0.942 502 K CA -1.073 55.222 56.287 0.014 0.000 0.816 502 K CB 2.389 34.929 32.500 0.067 0.000 1.155 502 K HN 0.141 nan 8.250 nan 0.000 0.428 503 L N 0.810 122.067 121.223 0.057 0.000 2.341 503 L HA 0.497 4.866 4.340 0.049 0.000 0.278 503 L C -1.134 175.842 176.870 0.176 0.000 1.005 503 L CA 0.150 55.056 54.840 0.110 0.000 0.818 503 L CB 1.999 44.092 42.059 0.056 0.000 1.259 503 L HN 0.545 nan 8.230 nan 0.000 0.418 504 S N 3.138 118.998 115.700 0.267 0.000 2.566 504 S HA 0.716 5.215 4.470 0.049 0.000 0.298 504 S C -1.504 173.247 174.600 0.252 0.000 1.083 504 S CA -0.576 57.773 58.200 0.247 0.000 0.978 504 S CB 1.675 65.010 63.200 0.226 0.000 1.073 504 S HN 0.831 nan 8.310 nan 0.000 0.491 505 C N 3.334 122.739 119.300 0.175 0.000 2.609 505 C HA 0.724 5.214 4.460 0.049 0.000 0.313 505 C C -1.215 173.787 174.990 0.020 0.000 1.175 505 C CA -0.654 58.363 59.018 -0.002 0.000 1.434 505 C CB -0.555 27.224 27.740 0.065 0.000 2.005 505 C HN 0.872 nan 8.230 nan 0.000 0.471 506 I N 6.580 127.084 120.570 -0.111 0.000 2.433 506 I HA 0.474 4.673 4.170 0.049 0.000 0.292 506 I C -0.317 175.769 176.117 -0.053 0.000 1.001 506 I CA -0.273 60.975 61.300 -0.087 0.000 1.119 506 I CB 1.707 39.659 38.000 -0.080 0.000 1.289 506 I HN 0.551 nan 8.210 nan 0.000 0.438 507 M N 8.078 127.673 119.600 -0.008 0.000 2.142 507 M HA 0.312 4.821 4.480 0.049 0.000 0.299 507 M C -1.978 174.366 176.300 0.072 0.000 0.960 507 M CA -0.633 54.662 55.300 -0.008 0.000 0.920 507 M CB 1.583 34.091 32.600 -0.153 0.000 1.541 507 M HN 0.539 nan 8.290 nan 0.000 0.429 508 Y N 4.124 124.430 120.300 0.010 0.000 2.327 508 Y HA 0.381 4.961 4.550 0.050 0.000 0.336 508 Y C -0.561 175.405 175.900 0.110 0.000 1.035 508 Y CA 0.214 58.339 58.100 0.041 0.000 1.165 508 Y CB 0.799 39.254 38.460 -0.008 0.000 1.181 508 Y HN 0.706 nan 8.280 nan 0.000 0.494 509 Q N 6.590 126.220 119.800 -0.284 0.000 2.333 509 Q HA 0.277 4.646 4.340 0.049 0.000 0.265 509 Q C 0.596 176.432 176.000 -0.274 0.000 0.989 509 Q CA -0.788 54.993 55.803 -0.037 0.000 0.842 509 Q CB 1.067 29.937 28.738 0.219 0.000 1.262 509 Q HN 0.972 nan 8.270 nan 0.000 0.451 510 R N 1.263 121.757 120.500 -0.011 0.000 2.153 510 R HA 0.153 4.522 4.340 0.049 0.000 0.218 510 R C 0.330 176.689 176.300 0.099 0.000 1.072 510 R CA 0.436 56.578 56.100 0.069 0.000 0.990 510 R CB 0.355 30.721 30.300 0.109 0.000 0.889 510 R HN 0.273 nan 8.270 nan 0.000 0.452 511 S N -0.128 115.634 115.700 0.104 0.000 2.571 511 S HA 0.529 5.029 4.470 0.049 0.000 0.284 511 S C -1.475 173.181 174.600 0.092 0.000 1.128 511 S CA -0.822 57.483 58.200 0.175 0.000 0.970 511 S CB 1.594 64.936 63.200 0.237 0.000 1.039 511 S HN 0.356 nan 8.310 nan 0.000 0.485 512 C N 3.633 122.885 119.300 -0.080 0.000 2.432 512 C HA 0.494 4.983 4.460 0.049 0.000 0.334 512 C C -0.518 174.140 174.990 -0.554 0.000 1.155 512 C CA -1.154 57.755 59.018 -0.182 0.000 1.335 512 C CB 0.632 28.297 27.740 -0.125 0.000 1.964 512 C HN 0.897 nan 8.230 nan 0.000 0.444 513 D N 2.966 123.267 120.400 -0.166 0.000 2.483 513 D HA 0.136 4.805 4.640 0.049 0.000 0.220 513 D C 1.196 177.538 176.300 0.070 0.000 1.173 513 D CA -0.418 53.573 54.000 -0.014 0.000 0.964 513 D CB 0.395 41.401 40.800 0.344 0.000 1.046 513 D HN 0.352 nan 8.370 nan 0.000 0.517 514 L N 3.130 124.333 121.223 -0.033 0.000 2.089 514 L HA -0.115 4.255 4.340 0.049 0.000 0.213 514 L C 2.152 179.155 176.870 0.222 0.000 1.079 514 L CA 1.994 56.883 54.840 0.081 0.000 0.758 514 L CB -1.350 40.672 42.059 -0.061 0.000 0.891 514 L HN 0.551 nan 8.230 nan 0.000 0.433 515 G N -1.430 107.521 108.800 0.251 0.000 2.404 515 G HA2 -0.159 3.830 3.960 0.049 0.000 0.215 515 G HA3 -0.159 3.830 3.960 0.049 0.000 0.215 515 G C 1.753 176.747 174.900 0.156 0.000 1.174 515 G CA 0.498 45.760 45.100 0.271 0.000 0.780 515 G HN 0.334 nan 8.290 nan 0.000 0.537 516 L N -0.667 120.702 121.223 0.244 0.000 2.445 516 L HA 0.294 4.663 4.340 0.049 0.000 0.207 516 L C 2.910 179.929 176.870 0.249 0.000 1.053 516 L CA 0.751 55.706 54.840 0.192 0.000 0.841 516 L CB 0.115 42.339 42.059 0.275 0.000 1.074 516 L HN 0.305 nan 8.230 nan 0.000 0.479 517 G N -0.681 108.288 108.800 0.282 0.000 2.408 517 G HA2 -0.123 3.866 3.960 0.049 0.000 0.213 517 G HA3 -0.123 3.866 3.960 0.049 0.000 0.213 517 G C 1.493 176.559 174.900 0.277 0.000 1.177 517 G CA 0.651 45.944 45.100 0.321 0.000 0.802 517 G HN 0.081 nan 8.290 nan 0.000 0.533 518 V N 2.272 122.318 119.914 0.219 0.000 2.317 518 V HA -0.165 3.985 4.120 0.049 0.000 0.251 518 V C 0.354 176.487 176.094 0.064 0.000 1.065 518 V CA 2.458 64.894 62.300 0.227 0.000 1.049 518 V CB -1.156 30.808 31.823 0.234 0.000 0.651 518 V HN 0.288 nan 8.190 nan 0.000 0.450 519 P HA -0.142 nan 4.420 nan 0.000 0.216 519 P C 1.527 178.624 177.300 -0.337 0.000 1.153 519 P CA 1.613 64.445 63.100 -0.448 0.000 0.858 519 P CB -0.115 31.211 31.700 -0.623 0.000 0.789 520 F N -0.592 119.324 119.950 -0.057 0.000 2.163 520 F HA -0.064 4.485 4.527 0.038 0.000 0.297 520 F C 2.069 177.855 175.800 -0.024 0.000 1.094 520 F CA 1.219 59.191 58.000 -0.047 0.000 1.290 520 F CB -1.641 37.354 39.000 -0.009 0.000 1.017 520 F HN -0.065 nan 8.300 nan 0.000 0.483 521 N N 0.681 119.535 118.700 0.257 0.000 2.061 521 N HA -0.216 4.553 4.740 0.049 0.000 0.193 521 N C 1.934 177.494 175.510 0.083 0.000 1.030 521 N CA 1.544 54.726 53.050 0.221 0.000 0.856 521 N CB -0.365 38.352 38.487 0.384 0.000 1.023 521 N HN 0.169 nan 8.380 nan 0.000 0.424 522 I N 1.188 121.799 120.570 0.067 0.000 2.151 522 I HA -0.313 3.886 4.170 0.049 0.000 0.243 522 I C 2.511 178.454 176.117 -0.289 0.000 1.080 522 I CA 1.103 62.397 61.300 -0.010 0.000 1.339 522 I CB -0.359 37.568 38.000 -0.121 0.000 1.039 522 I HN 0.213 nan 8.210 nan 0.000 0.409 523 A N -0.359 122.304 122.820 -0.261 0.000 1.873 523 A HA -0.189 4.160 4.320 0.049 0.000 0.215 523 A C 2.469 179.998 177.584 -0.093 0.000 1.186 523 A CA 2.012 53.906 52.037 -0.238 0.000 0.616 523 A CB -0.799 18.149 19.000 -0.087 0.000 0.823 523 A HN 0.349 nan 8.150 nan 0.000 0.442 524 S N -1.232 114.409 115.700 -0.098 0.000 2.369 524 S HA -0.215 4.285 4.470 0.049 0.000 0.225 524 S C 1.817 176.221 174.600 -0.326 0.000 1.043 524 S CA 2.030 60.108 58.200 -0.204 0.000 1.074 524 S CB -0.580 62.465 63.200 -0.258 0.000 0.962 524 S HN 0.670 nan 8.310 nan 0.000 0.433 525 Y N 1.455 121.581 120.300 -0.290 0.000 2.509 525 Y HA 0.046 4.625 4.550 0.048 0.000 0.293 525 Y C 2.747 178.354 175.900 -0.488 0.000 1.133 525 Y CA 0.558 58.458 58.100 -0.334 0.000 1.283 525 Y CB -0.348 37.830 38.460 -0.470 0.000 1.001 525 Y HN 0.174 nan 8.280 nan 0.000 0.555 526 S N 0.183 115.583 115.700 -0.500 0.000 2.345 526 S HA -0.145 4.354 4.470 0.049 0.000 0.220 526 S C 2.054 176.784 174.600 0.217 0.000 1.031 526 S CA 1.295 59.366 58.200 -0.215 0.000 0.996 526 S CB -0.427 62.618 63.200 -0.258 0.000 0.882 526 S HN 0.368 nan 8.310 nan 0.000 0.445 527 I N 0.620 121.332 120.570 0.236 0.000 2.163 527 I HA -0.210 3.989 4.170 0.049 0.000 0.243 527 I C 2.166 178.403 176.117 0.199 0.000 1.085 527 I CA 1.319 62.731 61.300 0.187 0.000 1.347 527 I CB -0.394 37.647 38.000 0.067 0.000 1.044 527 I HN 0.211 nan 8.210 nan 0.000 0.408 528 F N 1.852 121.791 119.950 -0.018 0.000 2.161 528 F HA -0.237 4.319 4.527 0.049 0.000 0.300 528 F C 2.523 178.394 175.800 0.118 0.000 1.089 528 F CA 1.878 59.887 58.000 0.015 0.000 1.282 528 F CB -0.758 38.223 39.000 -0.032 0.000 1.010 528 F HN -0.022 nan 8.300 nan 0.000 0.485 529 T N -0.812 113.816 114.554 0.123 0.000 2.777 529 T HA -0.188 4.191 4.350 0.049 0.000 0.266 529 T C 1.905 176.612 174.700 0.012 0.000 1.040 529 T CA 1.597 63.753 62.100 0.093 0.000 1.141 529 T CB -0.519 68.455 68.868 0.176 0.000 0.868 529 T HN 0.421 nan 8.240 nan 0.000 0.444 530 H N 0.686 119.755 119.070 -0.001 0.000 2.319 530 H HA -0.004 4.581 4.556 0.050 0.000 0.299 530 H C 2.450 177.726 175.328 -0.087 0.000 1.092 530 H CA 1.505 57.540 56.048 -0.021 0.000 1.302 530 H CB -0.219 29.539 29.762 -0.006 0.000 1.373 530 H HN 0.354 nan 8.280 nan 0.000 0.497 531 M N 0.010 119.590 119.600 -0.033 0.000 2.065 531 M HA -0.189 4.320 4.480 0.049 0.000 0.259 531 M C 2.400 178.626 176.300 -0.124 0.000 1.069 531 M CA 1.351 56.528 55.300 -0.205 0.000 1.110 531 M CB -0.133 32.251 32.600 -0.360 0.000 1.328 531 M HN 0.167 nan 8.290 nan 0.000 0.405 532 I N 0.447 120.839 120.570 -0.298 0.000 2.179 532 I HA -0.217 3.982 4.170 0.049 0.000 0.242 532 I C 2.774 178.768 176.117 -0.205 0.000 1.088 532 I CA 1.619 62.712 61.300 -0.346 0.000 1.357 532 I CB -1.741 35.872 38.000 -0.645 0.000 1.051 532 I HN 0.246 nan 8.210 nan 0.000 0.409 533 A N 0.449 123.178 122.820 -0.152 0.000 1.892 533 A HA -0.312 4.037 4.320 0.049 0.000 0.218 533 A C 2.386 179.934 177.584 -0.060 0.000 1.188 533 A CA 2.274 54.250 52.037 -0.102 0.000 0.631 533 A CB -0.931 18.015 19.000 -0.090 0.000 0.822 533 A HN 0.553 nan 8.150 nan 0.000 0.447 534 Q N -0.035 119.757 119.800 -0.013 0.000 2.061 534 Q HA -0.146 4.224 4.340 0.049 0.000 0.204 534 Q C 1.766 177.776 176.000 0.016 0.000 0.984 534 Q CA 2.563 58.383 55.803 0.028 0.000 0.846 534 Q CB -0.391 28.413 28.738 0.110 0.000 0.902 534 Q HN 0.726 nan 8.270 nan 0.000 0.421 535 V N -2.191 117.745 119.914 0.037 0.000 3.541 535 V HA -0.025 4.124 4.120 0.049 0.000 0.272 535 V C 1.148 177.217 176.094 -0.042 0.000 1.215 535 V CA 0.833 63.137 62.300 0.007 0.000 1.176 535 V CB -0.453 31.401 31.823 0.051 0.000 0.854 535 V HN 0.450 nan 8.190 nan 0.000 0.496 536 C N 0.771 120.035 119.300 -0.060 0.000 3.491 536 C HA 0.411 4.900 4.460 0.049 0.000 0.298 536 C C 0.971 175.922 174.990 -0.066 0.000 1.424 536 C CA -0.293 58.678 59.018 -0.079 0.000 1.772 536 C CB -1.414 26.256 27.740 -0.116 0.000 2.447 536 C HN 0.786 nan 8.230 nan 0.000 0.670 537 N N 1.312 119.980 118.700 -0.052 0.000 2.756 537 N HA -0.135 4.634 4.740 0.049 0.000 0.248 537 N C -0.734 174.745 175.510 -0.052 0.000 1.062 537 N CA 0.883 53.905 53.050 -0.047 0.000 0.696 537 N CB -1.335 37.124 38.487 -0.047 0.000 0.946 537 N HN 0.528 nan 8.380 nan 0.000 0.548 538 L N -0.317 120.874 121.223 -0.054 0.000 2.327 538 L HA 0.454 4.823 4.340 0.049 0.000 0.258 538 L C 0.118 176.959 176.870 -0.050 0.000 1.024 538 L CA -0.931 53.876 54.840 -0.055 0.000 0.825 538 L CB 1.613 43.635 42.059 -0.063 0.000 1.386 538 L HN -0.145 nan 8.230 nan 0.000 0.417 539 Q N 2.190 121.963 119.800 -0.046 0.000 2.256 539 Q HA 0.410 4.780 4.340 0.049 0.000 0.257 539 Q C -2.414 173.546 176.000 -0.066 0.000 0.936 539 Q CA -2.027 53.746 55.803 -0.050 0.000 0.903 539 Q CB 1.689 30.409 28.738 -0.031 0.000 1.263 539 Q HN 0.228 nan 8.270 nan 0.000 0.440 540 P HA 0.116 nan 4.420 nan 0.000 0.271 540 P C -0.857 176.396 177.300 -0.079 0.000 1.216 540 P CA 0.236 63.236 63.100 -0.166 0.000 0.776 540 P CB 1.305 32.711 31.700 -0.490 0.000 0.881 541 A N 3.661 126.480 122.820 -0.002 0.000 2.385 541 A HA 0.251 4.600 4.320 0.049 0.000 0.209 541 A C 0.341 177.957 177.584 0.054 0.000 2.123 541 A CA 0.120 52.178 52.037 0.034 0.000 1.674 541 A CB -0.138 18.915 19.000 0.087 0.000 1.212 541 A HN 0.570 nan 8.150 nan 0.000 0.422 542 Q N -0.712 119.143 119.800 0.093 0.000 2.222 542 Q HA 0.527 4.896 4.340 0.049 0.000 0.252 542 Q C -1.858 174.263 176.000 0.201 0.000 0.926 542 Q CA -0.524 55.344 55.803 0.108 0.000 0.899 542 Q CB 2.179 30.941 28.738 0.041 0.000 1.250 542 Q HN 0.490 nan 8.270 nan 0.000 0.441 543 F N 3.421 123.435 119.950 0.107 0.000 2.427 543 F HA 0.508 5.064 4.527 0.048 0.000 0.348 543 F C -1.389 174.490 175.800 0.131 0.000 1.125 543 F CA -1.100 56.982 58.000 0.136 0.000 0.989 543 F CB 0.535 39.656 39.000 0.201 0.000 1.165 543 F HN 0.374 nan 8.300 nan 0.000 0.442 544 I N 6.507 126.739 120.570 -0.564 0.000 2.355 544 I HA 0.235 4.435 4.170 0.049 0.000 0.288 544 I C -0.680 175.008 176.117 -0.716 0.000 0.999 544 I CA -0.553 60.414 61.300 -0.554 0.000 1.163 544 I CB 1.333 39.178 38.000 -0.258 0.000 1.316 544 I HN 0.626 nan 8.210 nan 0.000 0.454 545 H N 6.033 124.665 119.070 -0.730 0.000 2.556 545 H HA 0.501 5.086 4.556 0.048 0.000 0.310 545 H C -1.188 174.005 175.328 -0.226 0.000 1.057 545 H CA -0.769 55.016 56.048 -0.438 0.000 1.264 545 H CB 1.257 30.888 29.762 -0.220 0.000 1.404 545 H HN 0.306 nan 8.280 nan 0.000 0.462 546 V N 7.881 127.804 119.914 0.015 0.000 2.328 546 V HA 0.160 4.309 4.120 0.049 0.000 0.278 546 V C -0.003 175.911 176.094 -0.299 0.000 1.021 546 V CA -0.641 61.583 62.300 -0.127 0.000 0.838 546 V CB 1.065 32.862 31.823 -0.043 0.000 0.999 546 V HN 0.623 nan 8.190 nan 0.000 0.447 547 L N 4.588 125.629 121.223 -0.303 0.000 2.275 547 L HA 0.583 4.952 4.340 0.049 0.000 0.288 547 L C 1.263 177.925 176.870 -0.347 0.000 1.046 547 L CA -0.093 54.559 54.840 -0.314 0.000 0.805 547 L CB 1.153 43.108 42.059 -0.173 0.000 1.193 547 L HN 0.711 nan 8.230 nan 0.000 0.426 548 G N 2.428 110.993 108.800 -0.393 0.000 2.672 548 G HA2 -0.106 3.883 3.960 0.049 0.000 0.200 548 G HA3 -0.106 3.883 3.960 0.049 0.000 0.200 548 G C 0.381 175.326 174.900 0.074 0.000 1.819 548 G CA -0.183 44.741 45.100 -0.293 0.000 0.902 548 G HN 0.625 nan 8.290 nan 0.000 0.512 549 N N 1.920 120.819 118.700 0.332 0.000 2.399 549 N HA 0.351 5.120 4.740 0.049 0.000 0.259 549 N C -0.608 175.021 175.510 0.198 0.000 1.160 549 N CA -0.062 53.216 53.050 0.380 0.000 0.946 549 N CB 0.764 39.430 38.487 0.298 0.000 1.156 549 N HN 0.320 nan 8.380 nan 0.000 0.489 550 A N 5.165 128.087 122.820 0.171 0.000 2.253 550 A HA 0.360 4.709 4.320 0.049 0.000 0.316 550 A C -0.425 177.167 177.584 0.013 0.000 1.327 550 A CA -0.702 51.350 52.037 0.025 0.000 0.917 550 A CB 0.279 19.380 19.000 0.168 0.000 1.162 550 A HN 0.855 nan 8.150 nan 0.000 0.535 551 H N 0.073 119.123 119.070 -0.033 0.000 2.747 551 H HA 0.760 5.345 4.556 0.047 0.000 0.371 551 H C -1.698 173.526 175.328 -0.173 0.000 1.161 551 H CA -1.174 54.798 56.048 -0.127 0.000 1.167 551 H CB 1.409 31.031 29.762 -0.232 0.000 1.732 551 H HN 0.246 nan 8.280 nan 0.000 0.544 552 V N 2.592 122.479 119.914 -0.046 0.000 2.487 552 V HA 0.128 4.277 4.120 0.049 0.000 0.298 552 V C -0.882 175.153 176.094 -0.097 0.000 1.028 552 V CA -0.766 61.513 62.300 -0.035 0.000 0.860 552 V CB 1.004 32.826 31.823 -0.001 0.000 0.991 552 V HN 0.596 nan 8.190 nan 0.000 0.427 553 Y N 3.883 124.181 120.300 -0.005 0.000 2.377 553 Y HA 0.173 4.753 4.550 0.050 0.000 0.330 553 Y C 1.843 177.684 175.900 -0.098 0.000 1.108 553 Y CA -0.199 57.812 58.100 -0.148 0.000 1.308 553 Y CB 0.518 38.698 38.460 -0.467 0.000 1.216 553 Y HN 0.596 nan 8.280 nan 0.000 0.518 554 N N 2.190 120.953 118.700 0.104 0.000 2.192 554 N HA -0.226 4.543 4.740 0.049 0.000 0.188 554 N C 1.149 176.713 175.510 0.090 0.000 1.013 554 N CA 1.463 54.560 53.050 0.079 0.000 0.863 554 N CB -0.196 38.327 38.487 0.060 0.000 0.990 554 N HN 0.720 nan 8.380 nan 0.000 0.430 555 N N -0.069 118.678 118.700 0.078 0.000 2.449 555 N HA -0.092 4.677 4.740 0.049 0.000 0.191 555 N C 0.685 176.345 175.510 0.250 0.000 1.161 555 N CA 0.489 53.604 53.050 0.108 0.000 0.863 555 N CB -0.444 38.081 38.487 0.063 0.000 0.980 555 N HN 0.506 nan 8.380 nan 0.000 0.458 556 H N -0.343 118.796 119.070 0.114 0.000 2.729 556 H HA 0.319 4.907 4.556 0.053 0.000 0.263 556 H C 1.772 177.144 175.328 0.074 0.000 0.961 556 H CA -0.362 55.746 56.048 0.101 0.000 1.217 556 H CB 0.806 30.654 29.762 0.144 0.000 1.447 556 H HN 0.035 nan 8.280 nan 0.000 0.496 557 I N 1.491 122.177 120.570 0.193 0.000 2.113 557 I HA -0.354 3.845 4.170 0.049 0.000 0.242 557 I C 1.761 177.931 176.117 0.089 0.000 1.057 557 I CA 1.477 62.852 61.300 0.124 0.000 1.314 557 I CB -0.190 37.867 38.000 0.095 0.000 1.022 557 I HN 0.311 nan 8.210 nan 0.000 0.408 558 D N 0.563 121.005 120.400 0.069 0.000 2.144 558 D HA -0.126 4.543 4.640 0.049 0.000 0.199 558 D C 2.366 178.682 176.300 0.027 0.000 0.984 558 D CA 1.441 55.459 54.000 0.030 0.000 0.834 558 D CB -0.157 40.655 40.800 0.021 0.000 0.955 558 D HN 0.289 nan 8.370 nan 0.000 0.465 559 S N 0.515 116.240 115.700 0.042 0.000 2.368 559 S HA -0.051 4.448 4.470 0.049 0.000 0.224 559 S C 2.215 176.825 174.600 0.017 0.000 1.029 559 S CA 0.489 58.700 58.200 0.018 0.000 0.988 559 S CB -0.151 63.047 63.200 -0.004 0.000 0.838 559 S HN 0.254 nan 8.310 nan 0.000 0.462 560 L N 0.887 122.136 121.223 0.044 0.000 2.291 560 L HA 0.014 4.383 4.340 0.049 0.000 0.214 560 L C 2.341 179.255 176.870 0.073 0.000 1.120 560 L CA 0.893 55.759 54.840 0.043 0.000 0.799 560 L CB -0.328 41.761 42.059 0.051 0.000 0.925 560 L HN 0.219 nan 8.230 nan 0.000 0.446 561 K N 0.296 120.744 120.400 0.080 0.000 2.148 561 K HA -0.076 4.273 4.320 0.049 0.000 0.204 561 K C 2.053 178.667 176.600 0.024 0.000 1.050 561 K CA 1.117 57.447 56.287 0.071 0.000 0.942 561 K CB -0.009 32.438 32.500 -0.088 0.000 0.724 561 K HN 0.268 nan 8.250 nan 0.000 0.446 562 I N 0.730 121.300 120.570 0.000 0.000 2.286 562 I HA -0.264 3.935 4.170 0.049 0.000 0.245 562 I C 2.690 178.791 176.117 -0.027 0.000 1.104 562 I CA 1.128 62.419 61.300 -0.014 0.000 1.397 562 I CB -0.157 37.835 38.000 -0.014 0.000 1.072 562 I HN 0.254 nan 8.210 nan 0.000 0.417 563 Q N 0.721 120.505 119.800 -0.027 0.000 2.046 563 Q HA -0.212 4.158 4.340 0.049 0.000 0.200 563 Q C 2.261 178.215 176.000 -0.077 0.000 0.975 563 Q CA 1.472 57.234 55.803 -0.067 0.000 0.836 563 Q CB 0.063 28.779 28.738 -0.037 0.000 0.896 563 Q HN 0.309 nan 8.270 nan 0.000 0.428 564 L N 1.326 122.532 121.223 -0.028 0.000 2.261 564 L HA -0.170 4.199 4.340 0.049 0.000 0.216 564 L C 1.395 178.312 176.870 0.079 0.000 1.114 564 L CA 1.405 56.217 54.840 -0.046 0.000 0.777 564 L CB -0.350 41.627 42.059 -0.136 0.000 0.910 564 L HN 0.252 nan 8.230 nan 0.000 0.440 565 N N -0.453 118.289 118.700 0.070 0.000 2.322 565 N HA 0.063 4.832 4.740 0.049 0.000 0.194 565 N C 0.106 175.604 175.510 -0.019 0.000 1.126 565 N CA 0.126 53.226 53.050 0.082 0.000 0.845 565 N CB 0.370 38.902 38.487 0.074 0.000 0.976 565 N HN 0.333 nan 8.380 nan 0.000 0.475 566 R N 0.490 120.910 120.500 -0.134 0.000 2.474 566 R HA 0.468 4.837 4.340 0.049 0.000 0.295 566 R C -0.043 176.082 176.300 -0.293 0.000 0.980 566 R CA -0.504 55.398 56.100 -0.330 0.000 0.934 566 R CB 1.768 31.610 30.300 -0.764 0.000 1.101 566 R HN -0.048 nan 8.270 nan 0.000 0.469 567 I N 4.483 124.917 120.570 -0.228 0.000 2.304 567 I HA 0.222 4.421 4.170 0.049 0.000 0.291 567 I C -1.986 173.898 176.117 -0.387 0.000 1.018 567 I CA -2.373 58.794 61.300 -0.221 0.000 1.260 567 I CB 1.421 39.324 38.000 -0.161 0.000 1.390 567 I HN 0.236 nan 8.210 nan 0.000 0.475 568 P HA -0.057 nan 4.420 nan 0.000 0.266 568 P C -1.229 175.716 177.300 -0.592 0.000 1.186 568 P CA 0.462 63.146 63.100 -0.693 0.000 0.767 568 P CB 0.272 31.195 31.700 -1.296 0.000 0.820 569 Y N 1.929 122.106 120.300 -0.204 0.000 2.534 569 Y HA 0.394 4.971 4.550 0.045 0.000 0.329 569 Y C -1.679 174.193 175.900 -0.048 0.000 1.154 569 Y CA -2.632 55.406 58.100 -0.104 0.000 1.192 569 Y CB 0.125 38.553 38.460 -0.053 0.000 1.275 569 Y HN 0.312 nan 8.280 nan 0.000 0.491 570 P HA -0.032 nan 4.420 nan 0.000 0.269 570 P C -0.618 176.771 177.300 0.148 0.000 1.209 570 P CA 0.198 63.311 63.100 0.022 0.000 0.776 570 P CB 0.430 32.108 31.700 -0.036 0.000 0.876 571 F N 3.553 123.565 119.950 0.104 0.000 2.539 571 F HA 0.160 4.714 4.527 0.046 0.000 0.340 571 F C -0.923 174.998 175.800 0.202 0.000 1.185 571 F CA -1.586 56.500 58.000 0.143 0.000 1.333 571 F CB -0.986 38.039 39.000 0.042 0.000 1.152 571 F HN 0.330 nan 8.300 nan 0.000 0.602 572 P HA 0.300 nan 4.420 nan 0.000 0.328 572 P C -0.907 176.574 177.300 0.302 0.000 1.305 572 P CA -0.157 63.146 63.100 0.338 0.000 0.745 572 P CB 1.168 33.065 31.700 0.329 0.000 1.462 573 T N -3.227 111.441 114.554 0.189 0.000 2.903 573 T HA 0.587 4.966 4.350 0.049 0.000 0.299 573 T C -0.989 173.675 174.700 -0.061 0.000 1.093 573 T CA -0.773 61.407 62.100 0.134 0.000 1.002 573 T CB 1.031 69.969 68.868 0.118 0.000 1.127 573 T HN 0.290 nan 8.240 nan 0.000 0.488 574 L N 1.240 122.344 121.223 -0.197 0.000 2.313 574 L HA 0.732 5.102 4.340 0.049 0.000 0.283 574 L C -0.374 176.344 176.870 -0.253 0.000 1.013 574 L CA -0.458 54.107 54.840 -0.459 0.000 0.816 574 L CB 1.306 42.765 42.059 -0.999 0.000 1.236 574 L HN 0.879 nan 8.230 nan 0.000 0.419 575 K N 5.869 126.158 120.400 -0.185 0.000 2.413 575 K HA 0.566 4.915 4.320 0.049 0.000 0.257 575 K C -1.610 174.915 176.600 -0.125 0.000 0.946 575 K CA -0.581 55.644 56.287 -0.102 0.000 0.823 575 K CB 1.018 33.486 32.500 -0.054 0.000 1.109 575 K HN 0.701 nan 8.250 nan 0.000 0.427 576 L N 2.668 123.824 121.223 -0.111 0.000 2.344 576 L HA 0.320 4.689 4.340 0.049 0.000 0.272 576 L C 0.261 177.077 176.870 -0.091 0.000 1.035 576 L CA -1.204 53.543 54.840 -0.155 0.000 0.807 576 L CB 1.262 43.263 42.059 -0.098 0.000 1.237 576 L HN 0.671 nan 8.230 nan 0.000 0.442 577 N N 3.764 122.396 118.700 -0.113 0.000 2.427 577 N HA 0.050 4.819 4.740 0.049 0.000 0.269 577 N C -1.577 173.882 175.510 -0.085 0.000 1.235 577 N CA -1.608 51.388 53.050 -0.091 0.000 0.934 577 N CB 0.906 39.328 38.487 -0.108 0.000 1.121 577 N HN 0.315 nan 8.380 nan 0.000 0.480 578 P HA -0.123 nan 4.420 nan 0.000 0.223 578 P C 0.103 177.354 177.300 -0.081 0.000 1.144 578 P CA 0.998 64.066 63.100 -0.053 0.000 0.783 578 P CB 0.470 32.149 31.700 -0.035 0.000 0.771 579 D N -0.100 120.240 120.400 -0.101 0.000 2.224 579 D HA -0.020 4.649 4.640 0.049 0.000 0.205 579 D C 0.973 177.169 176.300 -0.175 0.000 0.965 579 D CA 0.525 54.457 54.000 -0.114 0.000 0.852 579 D CB -0.071 40.670 40.800 -0.097 0.000 0.947 579 D HN 0.173 nan 8.370 nan 0.000 0.494 580 I N 2.124 122.529 120.570 -0.275 0.000 2.578 580 I HA -0.040 4.159 4.170 0.049 0.000 0.286 580 I C 1.280 177.180 176.117 -0.362 0.000 1.126 580 I CA 0.358 61.373 61.300 -0.475 0.000 1.380 580 I CB 0.315 37.682 38.000 -1.055 0.000 1.408 580 I HN -0.251 nan 8.210 nan 0.000 0.532 581 K N 4.321 124.572 120.400 -0.249 0.000 2.358 581 K HA 0.246 4.595 4.320 0.049 0.000 0.200 581 K C -0.078 176.456 176.600 -0.110 0.000 1.030 581 K CA 0.017 56.217 56.287 -0.144 0.000 1.097 581 K CB 0.585 33.025 32.500 -0.100 0.000 0.862 581 K HN 0.511 nan 8.250 nan 0.000 0.534 582 N N 0.849 119.462 118.700 -0.145 0.000 2.249 582 N HA 0.121 4.890 4.740 0.049 0.000 0.296 582 N C 0.668 176.183 175.510 0.008 0.000 1.051 582 N CA -0.413 52.604 53.050 -0.054 0.000 0.815 582 N CB 2.182 40.644 38.487 -0.042 0.000 1.487 582 N HN -0.176 nan 8.380 nan 0.000 0.475 583 I N 2.100 122.752 120.570 0.136 0.000 2.248 583 I HA -0.240 3.959 4.170 0.049 0.000 0.248 583 I C 1.572 177.898 176.117 0.348 0.000 1.107 583 I CA 1.894 63.384 61.300 0.317 0.000 1.373 583 I CB 0.037 38.163 38.000 0.210 0.000 1.055 583 I HN 0.565 nan 8.210 nan 0.000 0.418 584 E N -0.318 119.996 120.200 0.190 0.000 2.427 584 E HA -0.126 4.253 4.350 0.049 0.000 0.196 584 E C 0.793 177.473 176.600 0.134 0.000 1.028 584 E CA 0.678 57.181 56.400 0.172 0.000 0.864 584 E CB -0.118 29.649 29.700 0.113 0.000 0.813 584 E HN 0.578 nan 8.360 nan 0.000 0.514 585 D N -0.018 120.406 120.400 0.040 0.000 2.339 585 D HA 0.033 4.702 4.640 0.049 0.000 0.217 585 D C -0.065 176.185 176.300 -0.083 0.000 1.050 585 D CA 0.177 54.143 54.000 -0.057 0.000 0.856 585 D CB 0.005 40.706 40.800 -0.165 0.000 0.922 585 D HN 0.017 nan 8.370 nan 0.000 0.518 586 F N 1.510 121.515 119.950 0.091 0.000 2.459 586 F HA 0.216 4.772 4.527 0.049 0.000 0.346 586 F C 1.523 177.433 175.800 0.183 0.000 1.128 586 F CA -0.083 57.992 58.000 0.124 0.000 1.268 586 F CB 0.923 40.062 39.000 0.231 0.000 1.161 586 F HN -0.276 nan 8.300 nan 0.000 0.583 587 T N 0.083 114.886 114.554 0.415 0.000 2.896 587 T HA 0.312 4.692 4.350 0.049 0.000 0.297 587 T C 0.528 175.464 174.700 0.394 0.000 1.108 587 T CA -0.764 61.517 62.100 0.301 0.000 1.004 587 T CB 1.226 70.191 68.868 0.161 0.000 1.159 587 T HN 0.467 nan 8.240 nan 0.000 0.499 588 I N 2.099 122.806 120.570 0.229 0.000 2.381 588 I HA -0.166 4.033 4.170 0.049 0.000 0.255 588 I C 2.242 178.507 176.117 0.247 0.000 1.140 588 I CA 2.476 63.874 61.300 0.163 0.000 1.404 588 I CB -0.436 37.583 38.000 0.031 0.000 1.075 588 I HN 0.869 nan 8.210 nan 0.000 0.433 589 S N -1.521 114.302 115.700 0.204 0.000 2.558 589 S HA 0.012 4.512 4.470 0.049 0.000 0.217 589 S C 1.357 176.044 174.600 0.145 0.000 0.975 589 S CA 0.345 58.632 58.200 0.146 0.000 0.912 589 S CB -0.460 62.787 63.200 0.078 0.000 0.776 589 S HN 0.463 nan 8.310 nan 0.000 0.526 590 D N 0.880 121.393 120.400 0.189 0.000 2.324 590 D HA 0.223 4.892 4.640 0.049 0.000 0.235 590 D C -0.911 175.218 176.300 -0.285 0.000 1.095 590 D CA 0.306 54.279 54.000 -0.045 0.000 0.871 590 D CB -0.048 40.701 40.800 -0.084 0.000 0.906 590 D HN 0.405 nan 8.370 nan 0.000 0.522 591 F N -0.091 119.866 119.950 0.012 0.000 2.540 591 F HA 0.370 4.928 4.527 0.051 0.000 0.317 591 F C 0.355 176.105 175.800 -0.083 0.000 1.104 591 F CA -0.728 57.234 58.000 -0.063 0.000 0.913 591 F CB 2.150 41.086 39.000 -0.108 0.000 1.170 591 F HN -0.463 nan 8.300 nan 0.000 0.450 592 T N 4.496 119.068 114.554 0.029 0.000 2.991 592 T HA 0.463 4.842 4.350 0.049 0.000 0.303 592 T C -0.908 173.743 174.700 -0.080 0.000 1.015 592 T CA -0.420 61.673 62.100 -0.011 0.000 1.007 592 T CB 1.315 70.178 68.868 -0.010 0.000 1.034 592 T HN 0.207 nan 8.240 nan 0.000 0.446 593 I N 3.863 124.388 120.570 -0.074 0.000 2.304 593 I HA 0.310 4.509 4.170 0.049 0.000 0.291 593 I C 0.430 176.547 176.117 0.000 0.000 1.018 593 I CA -0.404 60.832 61.300 -0.106 0.000 1.260 593 I CB 1.135 39.055 38.000 -0.134 0.000 1.390 593 I HN 0.625 nan 8.210 nan 0.000 0.475 594 Q N 5.549 125.358 119.800 0.014 0.000 2.266 594 Q HA 0.379 4.748 4.340 0.049 0.000 0.261 594 Q C -0.125 175.942 176.000 0.112 0.000 0.985 594 Q CA -0.782 55.057 55.803 0.060 0.000 0.873 594 Q CB 1.333 30.093 28.738 0.036 0.000 1.306 594 Q HN 0.419 nan 8.270 nan 0.000 0.447 595 N N 1.532 120.298 118.700 0.110 0.000 2.688 595 N HA -0.240 4.529 4.740 0.049 0.000 0.258 595 N C -1.555 174.053 175.510 0.163 0.000 1.016 595 N CA 0.760 53.873 53.050 0.106 0.000 0.747 595 N CB -0.834 37.711 38.487 0.097 0.000 0.895 595 N HN 0.532 nan 8.380 nan 0.000 0.543 596 Y N 0.812 121.122 120.300 0.017 0.000 2.594 596 Y HA 0.401 4.978 4.550 0.044 0.000 0.342 596 Y C -0.327 175.443 175.900 -0.216 0.000 1.010 596 Y CA -0.832 57.278 58.100 0.016 0.000 1.270 596 Y CB 0.505 39.029 38.460 0.107 0.000 1.125 596 Y HN 0.019 nan 8.280 nan 0.000 0.513 597 V N 7.870 127.451 119.914 -0.556 0.000 2.407 597 V HA 0.361 4.510 4.120 0.049 0.000 0.278 597 V C -0.463 175.037 176.094 -0.991 0.000 1.037 597 V CA -0.287 61.164 62.300 -1.415 0.000 0.900 597 V CB 0.578 31.746 31.823 -1.092 0.000 0.983 597 V HN 0.874 nan 8.190 nan 0.000 0.459 598 H N 1.193 119.598 119.070 -1.107 0.000 2.990 598 H HA 0.623 5.207 4.556 0.046 0.000 0.343 598 H C -0.684 174.639 175.328 -0.008 0.000 1.270 598 H CA -0.951 54.862 56.048 -0.391 0.000 1.118 598 H CB 1.034 30.375 29.762 -0.703 0.000 1.861 598 H HN 0.560 nan 8.280 nan 0.000 0.544 599 H N -0.126 119.124 119.070 0.300 0.000 2.505 599 H HA 0.136 4.718 4.556 0.045 0.000 0.358 599 H C 0.040 175.548 175.328 0.301 0.000 1.304 599 H CA -0.085 56.124 56.048 0.267 0.000 1.393 599 H CB 1.237 31.082 29.762 0.140 0.000 1.591 599 H HN 0.850 nan 8.280 nan 0.000 0.595 600 E N 0.892 121.281 120.200 0.316 0.000 2.408 600 E HA 0.102 4.481 4.350 0.049 0.000 0.259 600 E C -0.377 176.316 176.600 0.155 0.000 1.110 600 E CA -0.882 55.654 56.400 0.226 0.000 0.929 600 E CB 0.695 30.482 29.700 0.145 0.000 0.971 600 E HN 0.435 nan 8.360 nan 0.000 0.438 601 K N 1.417 121.869 120.400 0.087 0.000 2.397 601 K HA 0.225 4.575 4.320 0.049 0.000 0.265 601 K C -0.343 176.271 176.600 0.022 0.000 0.982 601 K CA -0.015 56.280 56.287 0.014 0.000 0.931 601 K CB 0.322 32.817 32.500 -0.008 0.000 0.943 601 K HN 0.493 nan 8.250 nan 0.000 0.501 602 I N 1.150 121.716 120.570 -0.006 0.000 2.571 602 I HA 0.073 4.272 4.170 0.049 0.000 0.289 602 I C -0.938 175.166 176.117 -0.021 0.000 1.115 602 I CA -0.895 60.400 61.300 -0.008 0.000 1.045 602 I CB 2.380 40.369 38.000 -0.020 0.000 1.238 602 I HN 0.603 nan 8.210 nan 0.000 0.424 603 S N 6.529 122.223 115.700 -0.009 0.000 2.400 603 S HA 0.242 4.741 4.470 0.049 0.000 0.295 603 S C 1.303 175.878 174.600 -0.041 0.000 1.113 603 S CA -0.682 57.511 58.200 -0.011 0.000 1.064 603 S CB 0.824 64.032 63.200 0.013 0.000 0.990 603 S HN 0.506 nan 8.310 nan 0.000 0.502 604 M N 1.669 121.199 119.600 -0.117 0.000 2.195 604 M HA -0.082 4.427 4.480 0.049 0.000 0.260 604 M C 1.118 177.379 176.300 -0.066 0.000 1.066 604 M CA 1.383 56.520 55.300 -0.272 0.000 1.089 604 M CB -0.912 31.227 32.600 -0.769 0.000 1.377 604 M HN 0.583 nan 8.290 nan 0.000 0.411 605 D N 0.000 120.418 120.400 0.029 0.000 6.856 605 D HA 0.000 4.669 4.640 0.049 0.000 0.175 605 D CA 0.000 54.070 54.000 0.116 0.000 0.868 605 D CB 0.000 40.861 40.800 0.101 0.000 0.688 605 D HN 0.000 nan 8.370 nan 0.000 0.683