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 1fui_1_F DATA FIRST_RESID 1 DATA SEQUENCE MKKISLPKIG IRPVIDGRRM GVRESLEEQT MNMAKATAAL LTEKLRHACG DATA SEQUENCE AAVECVISDT CIAGMAEAAA CEEKFSSQNV GLTITVTPCW CYGSETIDMD DATA SEQUENCE PTRPKAIWGF NGTERPGAVY LAAALAAHSQ KGIPAFSIYG HDVQDADDTS DATA SEQUENCE IPADVEEKLL RFARAGLAVA SMKGKSYLSL GGVSMGIAGS IVDHNFFESW DATA SEQUENCE LGMKVQAVDM TELRRRIDQK IYDEAELEMA LAWADKNFRY GEDENNKQYQ DATA SEQUENCE RNAEQSRAVL RESLLMAMCI RDMMQGNSKL ADIGRVEESL GYNAIAAGFQ DATA SEQUENCE GQRHWTDQYP NGDTAEAILN SSFDWNGVRE PFVVATENDS LNGVAMLMGH DATA SEQUENCE QLTGTAQVFA DVRTYWSPEA IERVTGHKLD GLAEHGIIHL INSGSAALDG DATA SEQUENCE SCKQRDSEGN PTMKPHWEIS QQEADACLAA TEWCPAIHEY FRGGGYSSRF DATA SEQUENCE LTEGGVPFTM TRVNIIKGLG PVLQIAEGWS VELPKDVHDI LNKRTNSTWP DATA SEQUENCE TTWFAPRLTG KGPFTDVYSV MANWGANHGV LTIGHVGADF ITLASMLRIP DATA SEQUENCE VCMHNVEETK VYRPSAWAAH GMDIEGQDYR ACQNYGPLYK R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.289 55.300 -0.018 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 K N 0.591 120.978 120.400 -0.021 0.000 5.248 2 K HA -0.175 4.145 4.320 -0.000 0.000 0.573 2 K C -0.136 176.441 176.600 -0.038 0.000 2.577 2 K CA 0.664 56.935 56.287 -0.027 0.000 2.028 2 K CB -0.239 32.248 32.500 -0.022 0.000 2.551 2 K HN 0.668 nan 8.250 nan 0.000 0.155 3 K N -0.430 119.938 120.400 -0.054 0.000 3.016 3 K HA -0.204 4.116 4.320 -0.000 0.000 0.262 3 K C 0.500 177.058 176.600 -0.071 0.000 1.043 3 K CA 1.276 57.518 56.287 -0.075 0.000 0.761 3 K CB -1.469 30.994 32.500 -0.062 0.000 1.230 3 K HN 0.495 nan 8.250 nan 0.000 0.485 4 I N -1.296 119.237 120.570 -0.061 0.000 2.856 4 I HA 0.029 4.199 4.170 -0.000 0.000 0.312 4 I C -0.388 175.694 176.117 -0.060 0.000 1.186 4 I CA 0.404 61.674 61.300 -0.049 0.000 2.036 4 I CB -1.161 36.819 38.000 -0.034 0.000 1.589 4 I HN 0.250 nan 8.210 nan 0.000 0.968 5 S N 4.828 120.491 115.700 -0.061 0.000 3.371 5 S HA -0.150 4.320 4.470 -0.000 0.000 0.353 5 S C 0.341 174.890 174.600 -0.086 0.000 0.849 5 S CA 0.161 58.323 58.200 -0.062 0.000 1.356 5 S CB -1.180 61.998 63.200 -0.036 0.000 1.217 5 S HN 0.617 nan 8.310 nan 0.000 0.559 6 L N 4.605 125.742 121.223 -0.142 0.000 2.439 6 L HA 0.325 4.665 4.340 -0.000 0.000 0.269 6 L C -1.241 175.581 176.870 -0.080 0.000 1.179 6 L CA -1.843 52.864 54.840 -0.221 0.000 0.828 6 L CB 0.029 41.751 42.059 -0.561 0.000 1.106 6 L HN 0.288 nan 8.230 nan 0.000 0.467 7 P HA 0.134 nan 4.420 nan 0.000 0.271 7 P C -1.194 176.144 177.300 0.063 0.000 1.218 7 P CA -0.204 62.912 63.100 0.027 0.000 0.780 7 P CB 0.927 32.647 31.700 0.032 0.000 0.901 8 K N 1.693 122.087 120.400 -0.010 0.000 2.238 8 K HA 0.586 4.906 4.320 -0.000 0.000 0.239 8 K C -0.045 176.491 176.600 -0.105 0.000 0.987 8 K CA -1.032 55.227 56.287 -0.047 0.000 0.857 8 K CB 1.510 33.962 32.500 -0.078 0.000 1.154 8 K HN 0.407 nan 8.250 nan 0.000 0.439 9 I N 1.367 121.865 120.570 -0.121 0.000 2.321 9 I HA 0.218 4.388 4.170 -0.000 0.000 0.291 9 I C 0.499 176.481 176.117 -0.225 0.000 0.998 9 I CA -0.492 60.732 61.300 -0.127 0.000 1.227 9 I CB 1.532 39.489 38.000 -0.072 0.000 1.368 9 I HN 0.629 nan 8.210 nan 0.000 0.466 10 G N 7.207 115.801 108.800 -0.344 0.000 2.338 10 G HA2 0.670 4.630 3.960 -0.000 0.000 0.298 10 G HA3 0.670 4.630 3.960 -0.000 0.000 0.298 10 G C -0.615 174.233 174.900 -0.087 0.000 1.140 10 G CA -0.420 44.274 45.100 -0.678 0.000 0.860 10 G HN 0.519 nan 8.290 nan 0.000 0.470 11 I N 1.815 122.454 120.570 0.115 0.000 2.389 11 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 11 I C -0.086 176.218 176.117 0.312 0.000 0.999 11 I CA -0.707 60.714 61.300 0.202 0.000 1.129 11 I CB 1.981 40.056 38.000 0.126 0.000 1.288 11 I HN 0.331 nan 8.210 nan 0.000 0.444 12 R N 7.344 127.985 120.500 0.235 0.000 2.272 12 R HA 0.353 4.693 4.340 -0.000 0.000 0.323 12 R C -2.611 173.716 176.300 0.046 0.000 1.002 12 R CA -1.659 54.525 56.100 0.139 0.000 0.900 12 R CB 0.996 31.371 30.300 0.126 0.000 1.151 12 R HN 0.290 nan 8.270 nan 0.000 0.507 13 P HA 0.090 nan 4.420 nan 0.000 0.287 13 P C -0.361 176.863 177.300 -0.127 0.000 1.307 13 P CA -0.170 62.893 63.100 -0.061 0.000 0.777 13 P CB 1.395 33.063 31.700 -0.054 0.000 0.883 14 V N 6.335 126.132 119.914 -0.196 0.000 2.532 14 V HA 0.504 4.624 4.120 -0.000 0.000 0.295 14 V C 0.560 176.427 176.094 -0.378 0.000 1.041 14 V CA -0.637 61.478 62.300 -0.308 0.000 0.926 14 V CB 1.805 33.378 31.823 -0.418 0.000 0.992 14 V HN 0.530 nan 8.190 nan 0.000 0.457 15 I N 1.825 122.161 120.570 -0.390 0.000 3.006 15 I HA 0.397 4.567 4.170 -0.000 0.000 0.306 15 I C -0.935 174.913 176.117 -0.448 0.000 1.250 15 I CA -0.686 60.394 61.300 -0.366 0.000 0.996 15 I CB 2.378 40.231 38.000 -0.246 0.000 1.261 15 I HN 0.594 nan 8.210 nan 0.000 0.442 16 D N 3.499 123.668 120.400 -0.384 0.000 2.458 16 D HA 0.075 4.715 4.640 -0.000 0.000 0.243 16 D C 0.927 177.017 176.300 -0.351 0.000 1.146 16 D CA 0.681 54.431 54.000 -0.416 0.000 0.877 16 D CB 1.790 42.514 40.800 -0.125 0.000 1.176 16 D HN 0.737 nan 8.370 nan 0.000 0.461 17 G N 4.112 112.623 108.800 -0.482 0.000 2.650 17 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.214 17 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.214 17 G C 0.835 175.728 174.900 -0.011 0.000 1.136 17 G CA -0.068 44.917 45.100 -0.191 0.000 0.789 17 G HN 0.611 nan 8.290 nan 0.000 0.536 18 R N 0.072 120.609 120.500 0.060 0.000 2.438 18 R HA 0.527 4.867 4.340 -0.000 0.000 0.287 18 R C 0.240 176.558 176.300 0.031 0.000 1.077 18 R CA -0.581 55.567 56.100 0.080 0.000 1.034 18 R CB 1.028 31.407 30.300 0.131 0.000 0.993 18 R HN -0.095 nan 8.270 nan 0.000 0.459 19 R N 2.386 122.901 120.500 0.025 0.000 1.664 19 R HA 0.269 4.609 4.340 -0.000 0.000 0.112 19 R C 0.614 176.922 176.300 0.013 0.000 0.720 19 R CA -0.281 55.825 56.100 0.010 0.000 1.864 19 R CB -0.423 29.880 30.300 0.005 0.000 1.040 19 R HN 0.834 nan 8.270 nan 0.000 0.700 20 M N -1.989 117.616 119.600 0.009 0.000 2.901 20 M HA -0.248 4.232 4.480 -0.000 0.000 0.182 20 M C 0.601 176.904 176.300 0.006 0.000 0.641 20 M CA 1.958 57.263 55.300 0.009 0.000 0.689 20 M CB -1.352 31.256 32.600 0.015 0.000 2.484 20 M HN 0.863 nan 8.290 nan 0.000 0.302 21 G N -3.106 105.696 108.800 0.003 0.000 3.514 21 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.197 21 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.197 21 G C 0.444 175.342 174.900 -0.004 0.000 1.098 21 G CA 0.070 45.169 45.100 -0.001 0.000 0.884 21 G HN 0.472 nan 8.290 nan 0.000 0.433 22 V N 2.214 122.130 119.914 0.004 0.000 2.214 22 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 22 V C 2.674 178.757 176.094 -0.018 0.000 1.051 22 V CA 2.954 65.256 62.300 0.003 0.000 1.003 22 V CB -0.766 31.073 31.823 0.027 0.000 0.635 22 V HN 0.471 nan 8.190 nan 0.000 0.447 23 R N 0.451 120.935 120.500 -0.026 0.000 2.080 23 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 23 R C 2.469 178.737 176.300 -0.053 0.000 1.137 23 R CA 2.127 58.195 56.100 -0.053 0.000 0.943 23 R CB -0.442 29.823 30.300 -0.058 0.000 0.846 23 R HN 0.801 nan 8.270 nan 0.000 0.431 24 E N 0.327 120.504 120.200 -0.039 0.000 2.209 24 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 24 E C 1.618 178.193 176.600 -0.040 0.000 0.993 24 E CA 1.671 58.048 56.400 -0.038 0.000 0.819 24 E CB -0.273 29.411 29.700 -0.027 0.000 0.745 24 E HN 0.483 nan 8.360 nan 0.000 0.477 25 S N -0.152 115.525 115.700 -0.038 0.000 2.527 25 S HA 0.035 4.505 4.470 -0.000 0.000 0.222 25 S C 1.720 176.285 174.600 -0.058 0.000 0.985 25 S CA 0.029 58.205 58.200 -0.041 0.000 0.921 25 S CB 0.112 63.294 63.200 -0.030 0.000 0.772 25 S HN 0.081 nan 8.310 nan 0.000 0.529 26 L N 1.463 122.644 121.223 -0.069 0.000 2.556 26 L HA 0.384 4.724 4.340 -0.000 0.000 0.226 26 L C 2.370 179.176 176.870 -0.107 0.000 1.089 26 L CA 0.637 55.420 54.840 -0.096 0.000 0.864 26 L CB -0.791 41.206 42.059 -0.102 0.000 1.067 26 L HN 0.207 nan 8.230 nan 0.000 0.477 27 E N 0.177 120.323 120.200 -0.089 0.000 2.065 27 E HA -0.319 4.031 4.350 -0.000 0.000 0.201 27 E C 1.833 178.383 176.600 -0.083 0.000 1.016 27 E CA 1.749 58.098 56.400 -0.086 0.000 0.818 27 E CB 0.080 29.740 29.700 -0.067 0.000 0.749 27 E HN 0.557 nan 8.360 nan 0.000 0.453 28 E N 0.622 120.778 120.200 -0.074 0.000 2.051 28 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 28 E C 2.253 178.801 176.600 -0.087 0.000 0.991 28 E CA 1.253 57.612 56.400 -0.068 0.000 0.799 28 E CB -0.025 29.642 29.700 -0.056 0.000 0.748 28 E HN 0.207 nan 8.360 nan 0.000 0.449 29 Q N -0.290 119.442 119.800 -0.114 0.000 2.084 29 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 29 Q C 1.960 177.853 176.000 -0.179 0.000 0.978 29 Q CA 2.121 57.829 55.803 -0.158 0.000 0.844 29 Q CB 0.004 28.618 28.738 -0.208 0.000 0.898 29 Q HN 0.239 nan 8.270 nan 0.000 0.426 30 T N 0.775 115.228 114.554 -0.169 0.000 2.708 30 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 30 T C 1.753 176.383 174.700 -0.118 0.000 1.037 30 T CA 1.234 63.232 62.100 -0.170 0.000 1.146 30 T CB -0.087 68.680 68.868 -0.168 0.000 0.865 30 T HN 0.260 nan 8.240 nan 0.000 0.435 31 M N 1.553 121.100 119.600 -0.088 0.000 2.213 31 M HA -0.022 4.458 4.480 -0.000 0.000 0.263 31 M C 1.872 178.151 176.300 -0.035 0.000 1.062 31 M CA 1.102 56.371 55.300 -0.052 0.000 1.105 31 M CB -1.190 31.384 32.600 -0.043 0.000 1.385 31 M HN 0.169 nan 8.290 nan 0.000 0.417 32 N N 0.110 118.780 118.700 -0.049 0.000 2.142 32 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 32 N C 1.671 177.179 175.510 -0.005 0.000 1.023 32 N CA 1.091 54.125 53.050 -0.028 0.000 0.852 32 N CB -0.356 38.105 38.487 -0.043 0.000 0.998 32 N HN 0.348 nan 8.380 nan 0.000 0.424 33 M N 0.473 120.046 119.600 -0.045 0.000 2.108 33 M HA -0.145 4.334 4.480 -0.000 0.000 0.261 33 M C 1.894 178.243 176.300 0.081 0.000 1.066 33 M CA 1.555 56.844 55.300 -0.019 0.000 1.107 33 M CB -0.034 32.452 32.600 -0.191 0.000 1.356 33 M HN 0.194 nan 8.290 nan 0.000 0.406 34 A N 0.268 123.110 122.820 0.037 0.000 1.877 34 A HA -0.214 4.105 4.320 -0.000 0.000 0.216 34 A C 2.040 179.673 177.584 0.081 0.000 1.186 34 A CA 2.024 54.104 52.037 0.072 0.000 0.620 34 A CB -0.615 18.408 19.000 0.039 0.000 0.822 34 A HN 0.520 nan 8.150 nan 0.000 0.443 35 K N -0.431 120.001 120.400 0.053 0.000 2.097 35 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 35 K C 2.258 178.894 176.600 0.060 0.000 1.049 35 K CA 1.069 57.384 56.287 0.046 0.000 0.933 35 K CB -0.295 32.221 32.500 0.026 0.000 0.717 35 K HN 0.451 nan 8.250 nan 0.000 0.442 36 A N 0.743 123.614 122.820 0.085 0.000 1.930 36 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 36 A C 2.156 179.809 177.584 0.115 0.000 1.175 36 A CA 1.852 53.951 52.037 0.104 0.000 0.627 36 A CB -0.773 18.317 19.000 0.150 0.000 0.815 36 A HN 0.227 nan 8.150 nan 0.000 0.443 37 T N 0.221 114.873 114.554 0.163 0.000 2.777 37 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 37 T C 2.237 176.977 174.700 0.066 0.000 1.040 37 T CA 1.419 63.604 62.100 0.142 0.000 1.141 37 T CB -0.391 68.616 68.868 0.232 0.000 0.868 37 T HN 0.575 nan 8.240 nan 0.000 0.444 38 A N 1.526 124.382 122.820 0.061 0.000 1.902 38 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 38 A C 2.646 180.234 177.584 0.005 0.000 1.181 38 A CA 1.824 53.877 52.037 0.026 0.000 0.623 38 A CB -1.128 17.888 19.000 0.027 0.000 0.818 38 A HN 0.497 nan 8.150 nan 0.000 0.443 39 A N -0.376 122.452 122.820 0.014 0.000 1.877 39 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 39 A C 2.167 179.743 177.584 -0.013 0.000 1.186 39 A CA 1.796 53.833 52.037 0.001 0.000 0.620 39 A CB -0.705 18.302 19.000 0.012 0.000 0.822 39 A HN 0.774 nan 8.150 nan 0.000 0.443 40 L N -0.199 121.018 121.223 -0.009 0.000 2.017 40 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 40 L C 2.303 179.145 176.870 -0.047 0.000 1.073 40 L CA 1.753 56.576 54.840 -0.029 0.000 0.745 40 L CB -0.424 41.612 42.059 -0.038 0.000 0.894 40 L HN 0.415 nan 8.230 nan 0.000 0.432 41 L N -0.879 120.317 121.223 -0.044 0.000 2.027 41 L HA -0.183 4.157 4.340 -0.000 0.000 0.206 41 L C 2.570 179.388 176.870 -0.086 0.000 1.074 41 L CA 1.813 56.614 54.840 -0.065 0.000 0.745 41 L CB -1.337 40.690 42.059 -0.053 0.000 0.898 41 L HN 0.501 nan 8.230 nan 0.000 0.433 42 T N -3.378 111.132 114.554 -0.073 0.000 2.915 42 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 42 T C 1.624 176.270 174.700 -0.090 0.000 1.071 42 T CA 1.320 63.368 62.100 -0.086 0.000 1.132 42 T CB -0.138 68.693 68.868 -0.063 0.000 0.878 42 T HN 0.398 nan 8.240 nan 0.000 0.479 43 E N 0.827 120.985 120.200 -0.071 0.000 2.060 43 E HA -0.063 4.286 4.350 -0.000 0.000 0.189 43 E C 1.798 178.354 176.600 -0.073 0.000 0.974 43 E CA 0.581 56.942 56.400 -0.065 0.000 0.808 43 E CB 0.133 29.806 29.700 -0.045 0.000 0.768 43 E HN 0.280 nan 8.360 nan 0.000 0.453 44 K N 0.005 120.362 120.400 -0.071 0.000 2.426 44 K HA 0.185 4.505 4.320 -0.000 0.000 0.193 44 K C 0.553 177.103 176.600 -0.083 0.000 1.028 44 K CA 0.201 56.449 56.287 -0.066 0.000 1.047 44 K CB 0.557 33.022 32.500 -0.059 0.000 0.821 44 K HN 0.189 nan 8.250 nan 0.000 0.513 45 L N 1.198 122.348 121.223 -0.122 0.000 2.333 45 L HA 0.447 4.787 4.340 -0.000 0.000 0.269 45 L C -0.071 176.655 176.870 -0.241 0.000 1.010 45 L CA -0.978 53.765 54.840 -0.161 0.000 0.818 45 L CB 1.613 43.562 42.059 -0.184 0.000 1.306 45 L HN -0.178 nan 8.230 nan 0.000 0.430 46 R N 0.265 120.594 120.500 -0.285 0.000 2.698 46 R HA 0.436 4.776 4.340 -0.000 0.000 0.275 46 R C -0.968 175.131 176.300 -0.335 0.000 1.001 46 R CA -0.970 54.880 56.100 -0.417 0.000 0.896 46 R CB 1.860 31.694 30.300 -0.777 0.000 1.218 46 R HN 0.568 nan 8.270 nan 0.000 0.462 47 H N 0.458 119.385 119.070 -0.238 0.000 2.679 47 H HA 0.090 4.646 4.556 -0.000 0.000 0.369 47 H C 1.137 176.414 175.328 -0.085 0.000 1.178 47 H CA 0.545 56.510 56.048 -0.139 0.000 1.419 47 H CB 1.152 30.847 29.762 -0.112 0.000 1.458 47 H HN 0.770 nan 8.280 nan 0.000 0.605 48 A N 1.582 124.464 122.820 0.103 0.000 2.076 48 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 48 A C 2.371 180.139 177.584 0.307 0.000 1.160 48 A CA 1.560 53.658 52.037 0.103 0.000 0.653 48 A CB -0.928 17.933 19.000 -0.232 0.000 0.801 48 A HN 0.835 nan 8.150 nan 0.000 0.455 49 C N -2.871 116.560 119.300 0.218 0.000 2.576 49 C HA 0.513 4.973 4.460 -0.000 0.000 0.267 49 C C 1.977 177.158 174.990 0.317 0.000 1.364 49 C CA 0.243 59.400 59.018 0.231 0.000 1.723 49 C CB -0.941 26.834 27.740 0.057 0.000 1.778 49 C HN 1.522 nan 8.230 nan 0.000 0.572 50 G N 0.504 109.394 108.800 0.151 0.000 2.279 50 G HA2 0.051 4.011 3.960 -0.000 0.000 0.223 50 G HA3 0.051 4.011 3.960 -0.000 0.000 0.223 50 G C 0.482 175.192 174.900 -0.316 0.000 1.015 50 G CA 0.125 45.095 45.100 -0.216 0.000 0.621 50 G HN 1.554 nan 8.290 nan 0.000 0.506 51 A N 0.777 123.532 122.820 -0.108 0.000 2.492 51 A HA 0.717 5.037 4.320 -0.000 0.000 0.236 51 A C 1.082 178.635 177.584 -0.051 0.000 1.078 51 A CA 1.298 53.296 52.037 -0.066 0.000 0.773 51 A CB 0.147 19.128 19.000 -0.032 0.000 1.023 51 A HN 2.175 nan 8.150 nan 0.000 0.504 52 A N 0.899 123.681 122.820 -0.064 0.000 2.351 52 A HA 0.520 4.840 4.320 -0.000 0.000 0.257 52 A C 0.108 177.673 177.584 -0.032 0.000 1.087 52 A CA -0.342 51.631 52.037 -0.105 0.000 0.798 52 A CB 0.105 19.044 19.000 -0.101 0.000 1.033 52 A HN 1.082 nan 8.150 nan 0.000 0.488 53 V N 2.395 122.206 119.914 -0.172 0.000 2.498 53 V HA 0.192 4.312 4.120 -0.000 0.000 0.279 53 V C 0.296 176.340 176.094 -0.083 0.000 1.048 53 V CA -0.126 62.046 62.300 -0.214 0.000 0.967 53 V CB 0.821 32.435 31.823 -0.348 0.000 0.988 53 V HN 0.952 nan 8.190 nan 0.000 0.473 54 E N 2.787 122.976 120.200 -0.017 0.000 2.191 54 E HA 0.475 4.825 4.350 -0.000 0.000 0.278 54 E C -1.131 175.441 176.600 -0.047 0.000 0.972 54 E CA -0.513 55.873 56.400 -0.025 0.000 0.804 54 E CB 1.659 31.356 29.700 -0.005 0.000 1.110 54 E HN 0.651 nan 8.360 nan 0.000 0.394 55 C N 2.319 121.591 119.300 -0.047 0.000 2.435 55 C HA 0.574 5.034 4.460 -0.000 0.000 0.333 55 C C -0.241 174.718 174.990 -0.052 0.000 1.202 55 C CA -0.680 58.304 59.018 -0.057 0.000 1.830 55 C CB 0.890 28.612 27.740 -0.031 0.000 2.326 55 C HN 0.451 nan 8.230 nan 0.000 0.507 56 V N 4.097 123.954 119.914 -0.096 0.000 2.487 56 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 56 V C -0.207 175.926 176.094 0.065 0.000 1.028 56 V CA -0.196 62.078 62.300 -0.043 0.000 0.860 56 V CB 1.358 33.105 31.823 -0.126 0.000 0.991 56 V HN 0.699 nan 8.190 nan 0.000 0.427 57 I N 2.507 123.168 120.570 0.152 0.000 2.525 57 I HA 0.381 4.551 4.170 -0.000 0.000 0.301 57 I C 0.765 177.027 176.117 0.241 0.000 0.992 57 I CA -0.385 61.036 61.300 0.201 0.000 1.162 57 I CB 2.003 40.065 38.000 0.103 0.000 1.332 57 I HN 0.628 nan 8.210 nan 0.000 0.458 58 S N 2.658 118.476 115.700 0.197 0.000 2.563 58 S HA -0.043 4.427 4.470 -0.000 0.000 0.284 58 S C 0.958 175.568 174.600 0.017 0.000 1.331 58 S CA -0.265 57.952 58.200 0.029 0.000 1.047 58 S CB 0.394 63.552 63.200 -0.070 0.000 0.859 58 S HN 0.571 nan 8.310 nan 0.000 0.514 59 D N 1.352 121.746 120.400 -0.011 0.000 2.178 59 D HA 0.004 4.644 4.640 -0.000 0.000 0.201 59 D C 1.126 177.412 176.300 -0.024 0.000 0.980 59 D CA 1.458 55.453 54.000 -0.009 0.000 0.842 59 D CB -0.074 40.717 40.800 -0.015 0.000 0.948 59 D HN 0.756 nan 8.370 nan 0.000 0.472 60 T N -3.026 111.501 114.554 -0.044 0.000 2.838 60 T HA 0.435 4.785 4.350 -0.000 0.000 0.292 60 T C -0.117 174.542 174.700 -0.068 0.000 1.113 60 T CA -0.929 61.139 62.100 -0.052 0.000 1.008 60 T CB 1.536 70.369 68.868 -0.057 0.000 1.259 60 T HN -0.071 nan 8.240 nan 0.000 0.520 61 C N 0.959 120.211 119.300 -0.079 0.000 2.652 61 C HA 0.527 4.986 4.460 -0.000 0.000 0.412 61 C C 0.535 175.453 174.990 -0.120 0.000 1.294 61 C CA -0.536 58.420 59.018 -0.103 0.000 2.127 61 C CB -1.135 26.535 27.740 -0.117 0.000 2.691 61 C HN 0.693 nan 8.230 nan 0.000 0.615 62 I N 2.882 123.367 120.570 -0.142 0.000 2.312 62 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 62 I C 0.823 176.821 176.117 -0.199 0.000 1.008 62 I CA 0.413 61.623 61.300 -0.149 0.000 1.226 62 I CB 1.227 39.146 38.000 -0.135 0.000 1.371 62 I HN 0.833 nan 8.210 nan 0.000 0.468 63 A N 4.437 127.145 122.820 -0.186 0.000 2.456 63 A HA 0.740 5.060 4.320 -0.000 0.000 0.237 63 A C 0.710 178.182 177.584 -0.186 0.000 1.217 63 A CA 0.378 52.261 52.037 -0.257 0.000 0.962 63 A CB 0.379 19.235 19.000 -0.240 0.000 1.079 63 A HN 0.761 nan 8.150 nan 0.000 0.536 64 G N -2.051 106.691 108.800 -0.097 0.000 2.634 64 G HA2 0.411 4.371 3.960 -0.000 0.000 0.309 64 G HA3 0.411 4.371 3.960 -0.000 0.000 0.309 64 G C 0.465 175.347 174.900 -0.029 0.000 1.299 64 G CA -0.137 44.948 45.100 -0.024 0.000 0.798 64 G HN -0.085 nan 8.290 nan 0.000 0.490 65 M N 0.183 119.778 119.600 -0.007 0.000 2.175 65 M HA -0.027 4.453 4.480 -0.000 0.000 0.264 65 M C 2.809 179.093 176.300 -0.027 0.000 1.063 65 M CA 1.912 57.203 55.300 -0.016 0.000 1.119 65 M CB -0.360 32.237 32.600 -0.004 0.000 1.377 65 M HN 0.618 nan 8.290 nan 0.000 0.415 66 A N 0.594 123.399 122.820 -0.024 0.000 1.877 66 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 66 A C 1.908 179.464 177.584 -0.046 0.000 1.186 66 A CA 1.869 53.888 52.037 -0.029 0.000 0.620 66 A CB -0.678 18.308 19.000 -0.023 0.000 0.822 66 A HN 0.526 nan 8.150 nan 0.000 0.443 67 E N -0.389 119.777 120.200 -0.057 0.000 2.107 67 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 67 E C 2.274 178.814 176.600 -0.099 0.000 0.982 67 E CA 0.797 57.150 56.400 -0.077 0.000 0.809 67 E CB -0.266 29.383 29.700 -0.085 0.000 0.756 67 E HN 0.610 nan 8.360 nan 0.000 0.459 68 A N 1.427 124.193 122.820 -0.089 0.000 1.933 68 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 68 A C 2.363 179.884 177.584 -0.104 0.000 1.175 68 A CA 1.645 53.623 52.037 -0.099 0.000 0.628 68 A CB -0.576 18.385 19.000 -0.065 0.000 0.814 68 A HN 0.293 nan 8.150 nan 0.000 0.444 69 A N -0.217 122.558 122.820 -0.075 0.000 1.930 69 A HA 0.223 4.543 4.320 -0.000 0.000 0.217 69 A C 2.487 180.023 177.584 -0.079 0.000 1.175 69 A CA 1.868 53.868 52.037 -0.062 0.000 0.627 69 A CB -0.936 18.041 19.000 -0.039 0.000 0.815 69 A HN 0.994 nan 8.150 nan 0.000 0.443 70 A N -0.933 121.835 122.820 -0.087 0.000 1.877 70 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 70 A C 2.413 179.912 177.584 -0.142 0.000 1.186 70 A CA 1.700 53.684 52.037 -0.088 0.000 0.620 70 A CB -1.466 17.488 19.000 -0.077 0.000 0.822 70 A HN 0.833 nan 8.150 nan 0.000 0.443 71 C N -0.587 118.580 119.300 -0.221 0.000 2.413 71 C HA -0.137 4.322 4.460 -0.000 0.000 0.276 71 C C 2.644 177.323 174.990 -0.518 0.000 1.236 71 C CA 1.919 60.675 59.018 -0.435 0.000 1.735 71 C CB -1.030 26.404 27.740 -0.509 0.000 2.031 71 C HN 0.697 nan 8.230 nan 0.000 0.474 72 E N 0.838 120.856 120.200 -0.304 0.000 2.085 72 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 72 E C 2.048 178.625 176.600 -0.038 0.000 0.994 72 E CA 2.044 58.358 56.400 -0.144 0.000 0.801 72 E CB -0.548 29.115 29.700 -0.061 0.000 0.743 72 E HN 0.801 nan 8.360 nan 0.000 0.453 73 E N 0.169 120.340 120.200 -0.047 0.000 2.058 73 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 73 E C 2.025 178.645 176.600 0.034 0.000 0.997 73 E CA 1.595 57.994 56.400 -0.001 0.000 0.801 73 E CB -0.141 29.551 29.700 -0.014 0.000 0.746 73 E HN 0.169 nan 8.360 nan 0.000 0.450 74 K N -0.543 119.866 120.400 0.015 0.000 2.026 74 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 74 K C 1.951 178.710 176.600 0.266 0.000 1.048 74 K CA 1.490 57.836 56.287 0.098 0.000 0.929 74 K CB -0.181 32.361 32.500 0.070 0.000 0.713 74 K HN 0.095 nan 8.250 nan 0.000 0.439 75 F N 1.571 121.532 119.950 0.018 0.000 2.102 75 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 75 F C 2.807 178.622 175.800 0.024 0.000 1.105 75 F CA 1.402 59.416 58.000 0.024 0.000 1.239 75 F CB -1.332 37.686 39.000 0.030 0.000 0.991 75 F HN 0.202 nan 8.300 nan 0.000 0.474 76 S N -0.283 115.555 115.700 0.229 0.000 2.419 76 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 76 S C 1.893 176.547 174.600 0.091 0.000 1.019 76 S CA 1.313 59.592 58.200 0.132 0.000 0.982 76 S CB -1.021 62.237 63.200 0.097 0.000 0.789 76 S HN 0.404 nan 8.310 nan 0.000 0.490 77 S N 0.023 115.778 115.700 0.091 0.000 2.548 77 S HA 0.203 4.673 4.470 -0.000 0.000 0.215 77 S C 1.476 176.108 174.600 0.053 0.000 0.976 77 S CA -0.301 57.935 58.200 0.061 0.000 0.908 77 S CB -0.116 63.116 63.200 0.053 0.000 0.781 77 S HN 0.445 nan 8.310 nan 0.000 0.519 78 Q N 1.616 121.455 119.800 0.064 0.000 2.219 78 Q HA 0.248 4.588 4.340 -0.000 0.000 0.209 78 Q C -0.146 175.855 176.000 0.002 0.000 0.854 78 Q CA -0.145 55.678 55.803 0.033 0.000 0.960 78 Q CB -0.199 28.563 28.738 0.040 0.000 1.116 78 Q HN 0.774 nan 8.270 nan 0.000 0.500 79 N N 0.872 119.580 118.700 0.014 0.000 2.738 79 N HA -0.158 4.581 4.740 -0.000 0.000 0.249 79 N C -0.261 175.234 175.510 -0.026 0.000 1.047 79 N CA 0.295 53.346 53.050 0.002 0.000 0.707 79 N CB -0.761 37.724 38.487 -0.005 0.000 0.937 79 N HN 0.137 nan 8.380 nan 0.000 0.545 80 V N -0.904 118.979 119.914 -0.052 0.000 2.530 80 V HA 0.632 4.752 4.120 -0.000 0.000 0.282 80 V C 1.330 177.397 176.094 -0.045 0.000 1.048 80 V CA 0.823 63.048 62.300 -0.126 0.000 0.997 80 V CB 1.480 33.075 31.823 -0.379 0.000 0.987 80 V HN 0.220 nan 8.190 nan 0.000 0.477 81 G N 5.620 114.397 108.800 -0.039 0.000 3.020 81 G HA2 0.425 4.385 3.960 -0.000 0.000 0.217 81 G HA3 0.425 4.385 3.960 -0.000 0.000 0.217 81 G C 0.057 174.959 174.900 0.003 0.000 1.144 81 G CA 0.562 45.661 45.100 -0.002 0.000 0.760 81 G HN 1.005 nan 8.290 nan 0.000 0.548 82 L N -1.053 120.166 121.223 -0.006 0.000 2.582 82 L HA 0.730 5.070 4.340 -0.000 0.000 0.257 82 L C -0.770 176.156 176.870 0.093 0.000 0.974 82 L CA -1.452 53.422 54.840 0.058 0.000 0.851 82 L CB 0.611 42.660 42.059 -0.016 0.000 1.424 82 L HN 0.024 nan 8.230 nan 0.000 0.412 83 T N -0.840 113.836 114.554 0.202 0.000 2.893 83 T HA 0.904 5.254 4.350 -0.000 0.000 0.291 83 T C -0.404 174.407 174.700 0.184 0.000 1.028 83 T CA -0.535 61.678 62.100 0.188 0.000 0.995 83 T CB 2.001 71.015 68.868 0.244 0.000 1.051 83 T HN 0.611 nan 8.240 nan 0.000 0.470 84 I N 2.058 122.716 120.570 0.146 0.000 2.439 84 I HA 0.333 4.503 4.170 -0.000 0.000 0.285 84 I C -0.208 175.991 176.117 0.137 0.000 1.021 84 I CA -0.737 60.613 61.300 0.083 0.000 1.091 84 I CB 2.314 40.374 38.000 0.099 0.000 1.242 84 I HN 0.680 nan 8.210 nan 0.000 0.439 85 T N 6.099 120.731 114.554 0.130 0.000 2.767 85 T HA 0.522 4.872 4.350 -0.000 0.000 0.284 85 T C -0.192 174.598 174.700 0.149 0.000 0.973 85 T CA -0.487 61.699 62.100 0.144 0.000 0.996 85 T CB 1.408 70.380 68.868 0.174 0.000 0.927 85 T HN 0.412 nan 8.240 nan 0.000 0.456 86 V N 1.002 120.967 119.914 0.085 0.000 2.769 86 V HA 1.005 5.125 4.120 -0.000 0.000 0.312 86 V C -0.336 175.678 176.094 -0.133 0.000 1.061 86 V CA -0.567 61.739 62.300 0.010 0.000 0.931 86 V CB 2.008 33.853 31.823 0.035 0.000 1.010 86 V HN 0.847 nan 8.190 nan 0.000 0.433 87 T N 3.577 118.000 114.554 -0.218 0.000 2.977 87 T HA 0.622 4.972 4.350 -0.000 0.000 0.345 87 T C -2.881 171.686 174.700 -0.221 0.000 1.562 87 T CA -0.297 61.650 62.100 -0.255 0.000 1.090 87 T CB 2.600 71.252 68.868 -0.360 0.000 1.383 87 T HN 0.699 nan 8.240 nan 0.000 0.484 88 P HA 0.323 nan 4.420 nan 0.000 0.282 88 P C 0.275 177.544 177.300 -0.051 0.000 1.373 88 P CA 0.034 63.034 63.100 -0.166 0.000 1.001 88 P CB -0.328 31.129 31.700 -0.404 0.000 1.489 89 C N -3.695 115.565 119.300 -0.067 0.000 3.321 89 C HA 0.633 5.093 4.460 -0.000 0.000 0.363 89 C C -0.517 174.512 174.990 0.065 0.000 1.705 89 C CA -1.253 57.775 59.018 0.017 0.000 1.298 89 C CB 0.789 28.511 27.740 -0.029 0.000 2.086 89 C HN 0.281 nan 8.230 nan 0.000 0.438 90 W N 1.292 122.582 121.300 -0.017 0.000 2.272 90 W HA 0.575 5.235 4.660 -0.000 0.000 0.318 90 W C -1.006 175.476 176.519 -0.061 0.000 1.255 90 W CA 0.019 57.392 57.345 0.046 0.000 1.200 90 W CB 1.256 30.773 29.460 0.095 0.000 1.170 90 W HN 0.920 nan 8.180 nan 0.000 0.549 91 C N 4.692 123.296 119.300 -1.160 0.000 3.154 91 C HA 0.349 4.809 4.460 -0.000 0.000 0.312 91 C C -0.684 173.767 174.990 -0.898 0.000 1.349 91 C CA -0.709 57.672 59.018 -1.062 0.000 1.518 91 C CB 1.262 28.340 27.740 -1.105 0.000 1.934 91 C HN 0.500 nan 8.230 nan 0.000 0.462 92 Y N 2.135 122.164 120.300 -0.452 0.000 2.632 92 Y HA 0.344 4.894 4.550 -0.000 0.000 0.336 92 Y C 1.479 177.320 175.900 -0.097 0.000 1.237 92 Y CA -0.027 57.938 58.100 -0.227 0.000 1.595 92 Y CB -0.971 37.440 38.460 -0.083 0.000 1.508 92 Y HN 1.022 nan 8.280 nan 0.000 0.480 93 G N 2.194 111.011 108.800 0.028 0.000 3.984 93 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.253 93 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.253 93 G C 1.855 176.752 174.900 -0.005 0.000 0.873 93 G CA 2.265 47.354 45.100 -0.017 0.000 0.733 93 G HN 0.623 nan 8.290 nan 0.000 1.445 94 S N 0.265 115.954 115.700 -0.018 0.000 2.440 94 S HA -0.060 4.410 4.470 -0.000 0.000 0.238 94 S C 1.906 176.498 174.600 -0.013 0.000 1.010 94 S CA 1.958 60.132 58.200 -0.042 0.000 0.972 94 S CB -0.298 62.882 63.200 -0.034 0.000 0.774 94 S HN 0.733 nan 8.310 nan 0.000 0.501 95 E N 0.935 121.153 120.200 0.030 0.000 2.435 95 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 95 E C 1.779 178.385 176.600 0.010 0.000 1.029 95 E CA 1.195 57.615 56.400 0.033 0.000 0.865 95 E CB -0.049 29.702 29.700 0.085 0.000 0.833 95 E HN 0.920 nan 8.360 nan 0.000 0.510 96 T N -1.500 113.064 114.554 0.016 0.000 2.959 96 T HA 0.166 4.516 4.350 -0.000 0.000 0.254 96 T C 0.977 175.702 174.700 0.042 0.000 1.003 96 T CA -0.527 61.575 62.100 0.005 0.000 0.950 96 T CB -0.432 68.418 68.868 -0.031 0.000 1.090 96 T HN 0.143 nan 8.240 nan 0.000 0.503 97 I N 0.565 121.150 120.570 0.025 0.000 2.779 97 I HA 0.461 4.631 4.170 -0.000 0.000 0.285 97 I C -0.148 175.990 176.117 0.035 0.000 1.134 97 I CA -0.633 60.679 61.300 0.020 0.000 1.398 97 I CB 0.361 38.212 38.000 -0.248 0.000 1.404 97 I HN -0.161 nan 8.210 nan 0.000 0.587 98 D N 5.620 126.104 120.400 0.140 0.000 2.339 98 D HA 0.122 4.762 4.640 -0.000 0.000 0.256 98 D C 0.576 176.959 176.300 0.139 0.000 1.214 98 D CA -0.232 53.856 54.000 0.146 0.000 0.877 98 D CB 0.961 41.882 40.800 0.202 0.000 1.111 98 D HN 0.505 nan 8.370 nan 0.000 0.478 99 M N 1.636 121.278 119.600 0.071 0.000 2.556 99 M HA 0.001 4.481 4.480 -0.000 0.000 0.245 99 M C 0.514 176.855 176.300 0.070 0.000 1.128 99 M CA 0.132 55.462 55.300 0.051 0.000 1.069 99 M CB -0.482 32.128 32.600 0.017 0.000 1.469 99 M HN 0.447 nan 8.290 nan 0.000 0.494 100 D N 3.417 123.869 120.400 0.088 0.000 2.472 100 D HA -0.026 4.614 4.640 -0.000 0.000 0.248 100 D C -1.562 174.781 176.300 0.071 0.000 1.174 100 D CA -0.898 53.151 54.000 0.080 0.000 0.883 100 D CB 1.744 42.603 40.800 0.099 0.000 1.149 100 D HN 0.113 nan 8.370 nan 0.000 0.488 101 P HA -0.085 nan 4.420 nan 0.000 0.229 101 P C 1.109 178.400 177.300 -0.014 0.000 1.160 101 P CA 0.852 63.966 63.100 0.022 0.000 0.777 101 P CB 0.254 31.962 31.700 0.014 0.000 0.814 102 T N -2.840 111.707 114.554 -0.012 0.000 3.042 102 T HA 0.070 4.420 4.350 -0.000 0.000 0.245 102 T C 1.141 175.824 174.700 -0.028 0.000 1.029 102 T CA -0.363 61.693 62.100 -0.073 0.000 1.120 102 T CB -0.552 68.262 68.868 -0.091 0.000 0.917 102 T HN 0.166 nan 8.240 nan 0.000 0.467 103 R N 2.345 122.870 120.500 0.041 0.000 2.543 103 R HA 0.443 4.783 4.340 -0.000 0.000 0.277 103 R C -3.003 173.350 176.300 0.088 0.000 1.074 103 R CA -1.547 54.592 56.100 0.066 0.000 1.076 103 R CB -0.710 29.645 30.300 0.091 0.000 0.993 103 R HN 0.073 nan 8.270 nan 0.000 0.459 104 P HA 0.045 nan 4.420 nan 0.000 0.268 104 P C -1.193 176.335 177.300 0.380 0.000 1.205 104 P CA 0.045 63.258 63.100 0.188 0.000 0.771 104 P CB 0.647 32.326 31.700 -0.035 0.000 0.858 105 K N 1.594 122.251 120.400 0.428 0.000 2.464 105 K HA 0.850 5.170 4.320 -0.000 0.000 0.253 105 K C -1.169 175.384 176.600 -0.079 0.000 0.933 105 K CA -0.861 55.557 56.287 0.218 0.000 0.801 105 K CB 2.713 35.252 32.500 0.065 0.000 1.271 105 K HN 0.370 nan 8.250 nan 0.000 0.430 106 A N 2.485 125.051 122.820 -0.424 0.000 2.515 106 A HA 0.823 5.143 4.320 -0.000 0.000 0.296 106 A C -1.265 176.207 177.584 -0.186 0.000 1.094 106 A CA -0.794 50.916 52.037 -0.544 0.000 0.718 106 A CB 0.984 19.211 19.000 -1.288 0.000 1.307 106 A HN 0.672 nan 8.150 nan 0.000 0.408 107 I N 0.713 121.255 120.570 -0.046 0.000 2.499 107 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 107 I C -1.468 174.791 176.117 0.237 0.000 1.048 107 I CA -0.197 61.168 61.300 0.109 0.000 1.062 107 I CB 1.912 39.979 38.000 0.111 0.000 1.238 107 I HN 0.775 nan 8.210 nan 0.000 0.426 108 W N 6.857 128.200 121.300 0.071 0.000 2.361 108 W HA 0.714 5.374 4.660 -0.000 0.000 0.314 108 W C -0.395 176.225 176.519 0.168 0.000 1.041 108 W CA -1.506 55.902 57.345 0.106 0.000 1.241 108 W CB 1.573 31.081 29.460 0.079 0.000 1.279 108 W HN 0.467 nan 8.180 nan 0.000 0.436 109 G N 5.517 114.454 108.800 0.229 0.000 2.370 109 G HA2 0.369 4.329 3.960 -0.000 0.000 0.317 109 G HA3 0.369 4.329 3.960 -0.000 0.000 0.317 109 G C -1.401 173.516 174.900 0.029 0.000 1.162 109 G CA -0.822 44.329 45.100 0.086 0.000 0.922 109 G HN 0.499 nan 8.290 nan 0.000 0.454 110 F N 3.154 122.903 119.950 -0.335 0.000 2.608 110 F HA 0.096 4.623 4.527 -0.000 0.000 0.380 110 F C 0.823 176.668 175.800 0.075 0.000 1.083 110 F CA -0.357 57.516 58.000 -0.212 0.000 1.266 110 F CB 0.864 39.707 39.000 -0.262 0.000 1.076 110 F HN 0.428 nan 8.300 nan 0.000 0.574 111 N N 4.724 123.203 118.700 -0.368 0.000 2.968 111 N HA 0.287 5.027 4.740 -0.000 0.000 0.271 111 N C -0.349 174.983 175.510 -0.298 0.000 1.174 111 N CA 0.102 53.059 53.050 -0.154 0.000 1.096 111 N CB 0.002 38.342 38.487 -0.245 0.000 1.403 111 N HN 0.780 nan 8.380 nan 0.000 0.522 112 G N -0.337 108.472 108.800 0.016 0.000 2.714 112 G HA2 0.363 4.323 3.960 -0.000 0.000 0.292 112 G HA3 0.363 4.323 3.960 -0.000 0.000 0.292 112 G C 0.718 175.724 174.900 0.177 0.000 1.308 112 G CA -0.347 44.856 45.100 0.172 0.000 0.964 112 G HN 0.317 nan 8.290 nan 0.000 0.484 113 T N -2.153 112.490 114.554 0.148 0.000 3.004 113 T HA 0.057 4.407 4.350 -0.000 0.000 0.243 113 T C 1.663 176.425 174.700 0.104 0.000 1.020 113 T CA 1.220 63.386 62.100 0.110 0.000 1.145 113 T CB -0.106 68.810 68.868 0.080 0.000 0.876 113 T HN 0.380 nan 8.240 nan 0.000 0.449 114 E N 1.140 121.402 120.200 0.103 0.000 2.208 114 E HA 0.084 4.434 4.350 -0.000 0.000 0.193 114 E C 0.770 177.422 176.600 0.086 0.000 0.988 114 E CA 0.560 57.006 56.400 0.076 0.000 0.828 114 E CB 0.040 29.775 29.700 0.058 0.000 0.763 114 E HN 0.189 nan 8.360 nan 0.000 0.478 115 R N 1.779 122.360 120.500 0.135 0.000 2.937 115 R HA 0.161 4.501 4.340 -0.000 0.000 0.264 115 R C -2.251 174.179 176.300 0.217 0.000 1.334 115 R CA -2.076 54.115 56.100 0.151 0.000 1.516 115 R CB 0.091 30.485 30.300 0.157 0.000 1.187 115 R HN 0.095 nan 8.270 nan 0.000 0.609 116 P HA 0.056 nan 4.420 nan 0.000 0.228 116 P C 0.891 178.330 177.300 0.231 0.000 1.748 116 P CA 0.109 63.325 63.100 0.194 0.000 0.909 116 P CB 0.047 31.849 31.700 0.171 0.000 1.882 117 G N 1.505 110.440 108.800 0.225 0.000 2.443 117 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 117 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 117 G C 1.545 176.581 174.900 0.227 0.000 1.131 117 G CA 0.655 45.876 45.100 0.201 0.000 0.775 117 G HN 0.409 nan 8.290 nan 0.000 0.547 118 A N 0.174 123.115 122.820 0.201 0.000 2.015 118 A HA 0.150 4.470 4.320 -0.000 0.000 0.219 118 A C 2.511 180.120 177.584 0.042 0.000 1.163 118 A CA 1.556 53.629 52.037 0.060 0.000 0.646 118 A CB -0.282 18.708 19.000 -0.017 0.000 0.806 118 A HN 0.245 nan 8.150 nan 0.000 0.448 119 V N -1.503 118.515 119.914 0.172 0.000 2.379 119 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 119 V C 2.317 178.655 176.094 0.407 0.000 1.044 119 V CA 1.881 64.328 62.300 0.245 0.000 1.036 119 V CB -1.112 30.873 31.823 0.271 0.000 0.664 119 V HN 0.728 nan 8.190 nan 0.000 0.453 120 Y N 0.439 120.918 120.300 0.299 0.000 2.181 120 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 120 Y C 2.310 178.237 175.900 0.044 0.000 1.146 120 Y CA 1.438 59.585 58.100 0.079 0.000 1.164 120 Y CB -0.265 38.128 38.460 -0.111 0.000 0.982 120 Y HN 0.104 nan 8.280 nan 0.000 0.515 121 L N 0.102 121.335 121.223 0.016 0.000 1.976 121 L HA -0.363 3.977 4.340 -0.000 0.000 0.223 121 L C 2.611 179.396 176.870 -0.142 0.000 1.081 121 L CA 2.207 57.004 54.840 -0.073 0.000 0.784 121 L CB -1.103 40.966 42.059 0.017 0.000 0.896 121 L HN 0.453 nan 8.230 nan 0.000 0.438 122 A N -0.722 122.050 122.820 -0.080 0.000 1.908 122 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 122 A C 2.370 179.927 177.584 -0.045 0.000 1.181 122 A CA 2.060 54.063 52.037 -0.057 0.000 0.627 122 A CB -0.825 18.151 19.000 -0.040 0.000 0.818 122 A HN 0.640 nan 8.150 nan 0.000 0.445 123 A N -0.296 122.506 122.820 -0.031 0.000 1.873 123 A HA 0.204 4.523 4.320 -0.000 0.000 0.215 123 A C 2.533 180.021 177.584 -0.161 0.000 1.186 123 A CA 2.057 54.088 52.037 -0.010 0.000 0.616 123 A CB -1.071 18.040 19.000 0.184 0.000 0.823 123 A HN 1.076 nan 8.150 nan 0.000 0.442 124 A N -0.214 122.352 122.820 -0.422 0.000 1.902 124 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 124 A C 2.177 179.722 177.584 -0.065 0.000 1.181 124 A CA 1.503 53.294 52.037 -0.410 0.000 0.623 124 A CB -0.639 17.891 19.000 -0.783 0.000 0.818 124 A HN 0.470 nan 8.150 nan 0.000 0.443 125 L N -0.823 120.381 121.223 -0.032 0.000 2.046 125 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 125 L C 3.118 180.026 176.870 0.063 0.000 1.077 125 L CA 1.053 55.931 54.840 0.064 0.000 0.747 125 L CB -0.618 41.441 42.059 -0.000 0.000 0.896 125 L HN 0.453 nan 8.230 nan 0.000 0.432 126 A N 0.143 122.969 122.820 0.010 0.000 1.908 126 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 126 A C 2.537 180.128 177.584 0.012 0.000 1.181 126 A CA 1.862 53.909 52.037 0.016 0.000 0.627 126 A CB -0.705 18.300 19.000 0.009 0.000 0.818 126 A HN 0.414 nan 8.150 nan 0.000 0.445 127 A N -1.359 121.444 122.820 -0.027 0.000 1.902 127 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 127 A C 2.078 179.620 177.584 -0.071 0.000 1.181 127 A CA 1.573 53.569 52.037 -0.068 0.000 0.623 127 A CB -0.913 18.006 19.000 -0.135 0.000 0.818 127 A HN 0.665 nan 8.150 nan 0.000 0.443 128 H N 0.024 119.078 119.070 -0.026 0.000 2.290 128 H HA -0.081 4.475 4.556 -0.000 0.000 0.298 128 H C 2.524 177.855 175.328 0.006 0.000 1.087 128 H CA 1.908 57.947 56.048 -0.016 0.000 1.291 128 H CB -0.304 29.439 29.762 -0.033 0.000 1.369 128 H HN 0.485 nan 8.280 nan 0.000 0.492 129 S N 0.378 116.167 115.700 0.147 0.000 2.423 129 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 129 S C 2.100 176.760 174.600 0.100 0.000 1.014 129 S CA 0.932 59.210 58.200 0.129 0.000 0.965 129 S CB -0.052 63.213 63.200 0.108 0.000 0.785 129 S HN 0.466 nan 8.310 nan 0.000 0.495 130 Q N 1.034 120.869 119.800 0.058 0.000 2.172 130 Q HA 0.040 4.380 4.340 -0.000 0.000 0.200 130 Q C 1.137 177.160 176.000 0.038 0.000 0.964 130 Q CA 0.977 56.801 55.803 0.035 0.000 0.855 130 Q CB 0.075 28.820 28.738 0.012 0.000 0.918 130 Q HN 0.377 nan 8.270 nan 0.000 0.444 131 K N -0.788 119.634 120.400 0.037 0.000 2.437 131 K HA 0.162 4.482 4.320 -0.000 0.000 0.198 131 K C 0.491 177.134 176.600 0.072 0.000 1.024 131 K CA 0.432 56.739 56.287 0.034 0.000 1.148 131 K CB 0.640 33.138 32.500 -0.005 0.000 0.860 131 K HN 0.365 nan 8.250 nan 0.000 0.515 132 G N 2.821 111.695 108.800 0.123 0.000 2.198 132 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 132 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 132 G C 0.173 175.146 174.900 0.120 0.000 1.025 132 G CA 0.485 45.706 45.100 0.200 0.000 0.769 132 G HN 0.514 nan 8.290 nan 0.000 0.507 133 I N -2.511 118.109 120.570 0.084 0.000 2.668 133 I HA 0.436 4.606 4.170 -0.000 0.000 0.276 133 I C -2.476 173.668 176.117 0.045 0.000 1.139 133 I CA -2.791 58.544 61.300 0.059 0.000 1.133 133 I CB 1.365 39.448 38.000 0.138 0.000 1.327 133 I HN -0.213 nan 8.210 nan 0.000 0.520 134 P HA 0.161 nan 4.420 nan 0.000 0.265 134 P C -0.252 176.896 177.300 -0.253 0.000 1.187 134 P CA 0.345 63.322 63.100 -0.206 0.000 0.766 134 P CB 0.876 32.385 31.700 -0.318 0.000 0.820 135 A N 2.494 125.105 122.820 -0.349 0.000 2.515 135 A HA 0.733 5.053 4.320 -0.000 0.000 0.296 135 A C -1.198 176.187 177.584 -0.331 0.000 1.094 135 A CA -0.532 51.275 52.037 -0.383 0.000 0.718 135 A CB 0.819 19.345 19.000 -0.790 0.000 1.307 135 A HN 0.314 nan 8.150 nan 0.000 0.408 136 F N 0.709 120.485 119.950 -0.290 0.000 2.377 136 F HA 0.593 5.120 4.527 -0.000 0.000 0.328 136 F C 1.158 176.854 175.800 -0.173 0.000 1.094 136 F CA 0.170 57.999 58.000 -0.285 0.000 1.093 136 F CB 1.933 40.717 39.000 -0.361 0.000 1.214 136 F HN 0.444 nan 8.300 nan 0.000 0.518 137 S N 3.078 118.863 115.700 0.142 0.000 2.451 137 S HA 0.713 5.183 4.470 -0.000 0.000 0.301 137 S C -0.829 173.957 174.600 0.310 0.000 1.116 137 S CA -0.559 57.748 58.200 0.178 0.000 1.093 137 S CB 0.211 63.492 63.200 0.135 0.000 1.017 137 S HN 0.477 nan 8.310 nan 0.000 0.482 138 I N 5.543 126.278 120.570 0.275 0.000 2.437 138 I HA 0.338 4.508 4.170 -0.000 0.000 0.279 138 I C -1.469 174.887 176.117 0.399 0.000 1.028 138 I CA -0.676 60.774 61.300 0.249 0.000 1.142 138 I CB 1.151 39.221 38.000 0.116 0.000 1.266 138 I HN 0.620 nan 8.210 nan 0.000 0.461 139 Y N 5.369 125.756 120.300 0.146 0.000 2.346 139 Y HA 0.690 5.240 4.550 -0.000 0.000 0.332 139 Y C 0.295 176.230 175.900 0.059 0.000 0.985 139 Y CA -1.119 57.065 58.100 0.140 0.000 1.112 139 Y CB 1.862 40.368 38.460 0.076 0.000 1.170 139 Y HN 0.537 nan 8.280 nan 0.000 0.447 140 G N 3.517 112.172 108.800 -0.241 0.000 2.483 140 G HA2 0.092 4.052 3.960 -0.000 0.000 0.248 140 G HA3 0.092 4.052 3.960 -0.000 0.000 0.248 140 G C 0.084 174.655 174.900 -0.549 0.000 1.248 140 G CA -0.077 44.849 45.100 -0.289 0.000 0.838 140 G HN 0.951 nan 8.290 nan 0.000 0.566 141 H N -0.160 118.716 119.070 -0.322 0.000 2.326 141 H HA 0.018 4.574 4.556 -0.000 0.000 0.301 141 H C 0.389 175.580 175.328 -0.229 0.000 1.081 141 H CA 1.572 57.466 56.048 -0.257 0.000 1.334 141 H CB 0.331 30.011 29.762 -0.136 0.000 1.385 141 H HN 0.407 nan 8.280 nan 0.000 0.504 142 D N 0.313 120.679 120.400 -0.057 0.000 2.163 142 D HA 0.171 4.811 4.640 -0.000 0.000 0.248 142 D C -0.192 176.036 176.300 -0.120 0.000 1.035 142 D CA -0.430 53.530 54.000 -0.067 0.000 0.872 142 D CB 2.462 43.240 40.800 -0.036 0.000 1.183 142 D HN -0.123 nan 8.370 nan 0.000 0.445 143 V N 2.042 121.904 119.914 -0.087 0.000 2.673 143 V HA -0.017 4.103 4.120 -0.000 0.000 0.303 143 V C 0.607 176.645 176.094 -0.094 0.000 1.046 143 V CA 0.251 62.495 62.300 -0.092 0.000 1.126 143 V CB 0.373 32.181 31.823 -0.024 0.000 0.934 143 V HN 0.385 nan 8.190 nan 0.000 0.487 144 Q N 2.095 121.798 119.800 -0.162 0.000 2.348 144 Q HA 0.384 4.724 4.340 -0.000 0.000 0.271 144 Q C -1.091 174.966 176.000 0.094 0.000 1.067 144 Q CA -0.981 54.775 55.803 -0.079 0.000 0.839 144 Q CB 1.963 30.571 28.738 -0.217 0.000 1.354 144 Q HN 0.673 nan 8.270 nan 0.000 0.447 145 D N 0.482 120.977 120.400 0.158 0.000 2.339 145 D HA 0.098 4.738 4.640 -0.000 0.000 0.245 145 D C 0.611 177.078 176.300 0.278 0.000 1.115 145 D CA 0.049 54.154 54.000 0.176 0.000 0.917 145 D CB 1.299 42.165 40.800 0.110 0.000 1.192 145 D HN 0.720 nan 8.370 nan 0.000 0.428 146 A N 1.856 124.787 122.820 0.185 0.000 2.024 146 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 146 A C 1.401 178.979 177.584 -0.010 0.000 1.164 146 A CA 2.076 54.159 52.037 0.076 0.000 0.643 146 A CB -0.501 18.515 19.000 0.026 0.000 0.806 146 A HN 0.710 nan 8.150 nan 0.000 0.451 147 D N -1.372 119.052 120.400 0.041 0.000 2.350 147 D HA 0.050 4.690 4.640 -0.000 0.000 0.213 147 D C 0.290 176.620 176.300 0.050 0.000 1.031 147 D CA 0.040 54.051 54.000 0.017 0.000 0.861 147 D CB -0.080 40.733 40.800 0.021 0.000 0.926 147 D HN 0.199 nan 8.370 nan 0.000 0.520 148 D N 0.652 121.126 120.400 0.123 0.000 2.371 148 D HA 0.027 4.667 4.640 -0.000 0.000 0.256 148 D C 0.919 177.325 176.300 0.177 0.000 1.193 148 D CA 0.309 54.404 54.000 0.157 0.000 0.881 148 D CB 1.293 42.217 40.800 0.207 0.000 1.143 148 D HN 0.195 nan 8.370 nan 0.000 0.473 149 T N -0.725 113.905 114.554 0.127 0.000 3.044 149 T HA 0.128 4.477 4.350 -0.000 0.000 0.260 149 T C 0.893 175.689 174.700 0.160 0.000 1.019 149 T CA -0.374 61.801 62.100 0.125 0.000 0.921 149 T CB -0.148 68.758 68.868 0.063 0.000 1.053 149 T HN 0.285 nan 8.240 nan 0.000 0.533 150 S N 1.307 117.098 115.700 0.152 0.000 2.614 150 S HA 0.603 5.073 4.470 -0.000 0.000 0.265 150 S C -0.126 174.582 174.600 0.180 0.000 1.303 150 S CA -0.891 57.386 58.200 0.129 0.000 1.000 150 S CB 0.320 63.570 63.200 0.083 0.000 0.935 150 S HN 0.384 nan 8.310 nan 0.000 0.551 151 I N 2.335 122.978 120.570 0.121 0.000 2.330 151 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 151 I C -2.241 173.877 176.117 0.001 0.000 1.001 151 I CA -2.365 58.985 61.300 0.083 0.000 1.193 151 I CB 1.253 39.238 38.000 -0.025 0.000 1.345 151 I HN 0.490 nan 8.210 nan 0.000 0.461 152 P HA 0.058 nan 4.420 nan 0.000 0.269 152 P C 0.600 177.852 177.300 -0.080 0.000 1.217 152 P CA -0.141 62.937 63.100 -0.037 0.000 0.783 152 P CB 0.812 32.490 31.700 -0.036 0.000 0.898 153 A N 2.425 125.202 122.820 -0.073 0.000 1.908 153 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 153 A C 1.788 179.307 177.584 -0.107 0.000 1.181 153 A CA 2.133 54.119 52.037 -0.085 0.000 0.627 153 A CB -1.313 17.644 19.000 -0.072 0.000 0.818 153 A HN 0.720 nan 8.150 nan 0.000 0.445 154 D N -0.088 120.252 120.400 -0.101 0.000 2.178 154 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 154 D C 1.739 177.954 176.300 -0.142 0.000 0.980 154 D CA 1.582 55.523 54.000 -0.099 0.000 0.842 154 D CB -0.874 39.904 40.800 -0.036 0.000 0.948 154 D HN 0.262 nan 8.370 nan 0.000 0.472 155 V N 0.855 120.663 119.914 -0.176 0.000 2.488 155 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 155 V C 2.642 178.529 176.094 -0.345 0.000 1.046 155 V CA 1.677 63.791 62.300 -0.308 0.000 1.053 155 V CB -0.588 30.988 31.823 -0.411 0.000 0.679 155 V HN 0.245 nan 8.190 nan 0.000 0.458 156 E N 0.397 120.442 120.200 -0.258 0.000 2.051 156 E HA -0.294 4.056 4.350 -0.000 0.000 0.192 156 E C 2.245 178.735 176.600 -0.184 0.000 0.991 156 E CA 1.678 57.947 56.400 -0.217 0.000 0.799 156 E CB -0.100 29.511 29.700 -0.148 0.000 0.748 156 E HN 0.705 nan 8.360 nan 0.000 0.449 157 E N 0.513 120.612 120.200 -0.168 0.000 2.058 157 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 157 E C 2.019 178.501 176.600 -0.197 0.000 0.997 157 E CA 1.486 57.793 56.400 -0.156 0.000 0.801 157 E CB 0.077 29.691 29.700 -0.144 0.000 0.746 157 E HN 0.150 nan 8.360 nan 0.000 0.450 158 K N 0.151 120.387 120.400 -0.274 0.000 2.057 158 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 158 K C 2.328 178.839 176.600 -0.149 0.000 1.049 158 K CA 1.066 57.133 56.287 -0.367 0.000 0.931 158 K CB -0.119 32.085 32.500 -0.494 0.000 0.714 158 K HN 0.201 nan 8.250 nan 0.000 0.440 159 L N 0.875 121.998 121.223 -0.167 0.000 2.046 159 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 159 L C 2.300 179.158 176.870 -0.020 0.000 1.077 159 L CA 1.177 55.962 54.840 -0.092 0.000 0.747 159 L CB -0.349 41.593 42.059 -0.196 0.000 0.896 159 L HN 0.200 nan 8.230 nan 0.000 0.432 160 L N -0.826 120.351 121.223 -0.077 0.000 2.027 160 L HA -0.204 4.136 4.340 -0.000 0.000 0.206 160 L C 2.775 179.604 176.870 -0.069 0.000 1.074 160 L CA 1.134 55.930 54.840 -0.073 0.000 0.745 160 L CB -0.516 41.491 42.059 -0.086 0.000 0.898 160 L HN 0.238 nan 8.230 nan 0.000 0.433 161 R N 0.008 120.473 120.500 -0.059 0.000 2.091 161 R HA -0.244 4.096 4.340 -0.000 0.000 0.238 161 R C 2.374 178.638 176.300 -0.059 0.000 1.136 161 R CA 1.805 57.879 56.100 -0.045 0.000 0.959 161 R CB -0.399 29.895 30.300 -0.009 0.000 0.856 161 R HN 0.250 nan 8.270 nan 0.000 0.437 162 F N 0.750 120.617 119.950 -0.138 0.000 2.113 162 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 162 F C 2.035 177.674 175.800 -0.267 0.000 1.103 162 F CA 1.496 59.313 58.000 -0.306 0.000 1.248 162 F CB -0.536 38.289 39.000 -0.291 0.000 0.999 162 F HN 0.104 nan 8.300 nan 0.000 0.475 163 A N 0.717 123.388 122.820 -0.249 0.000 1.898 163 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 163 A C 2.414 179.798 177.584 -0.334 0.000 1.181 163 A CA 1.578 53.430 52.037 -0.308 0.000 0.620 163 A CB -0.879 18.065 19.000 -0.094 0.000 0.819 163 A HN 0.473 nan 8.150 nan 0.000 0.442 164 R N -0.458 119.890 120.500 -0.253 0.000 2.080 164 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 164 R C 2.374 178.516 176.300 -0.263 0.000 1.137 164 R CA 1.555 57.524 56.100 -0.219 0.000 0.943 164 R CB -0.415 29.787 30.300 -0.164 0.000 0.846 164 R HN 0.450 nan 8.270 nan 0.000 0.431 165 A N 0.002 122.634 122.820 -0.314 0.000 1.902 165 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 165 A C 2.329 179.697 177.584 -0.360 0.000 1.181 165 A CA 1.679 53.525 52.037 -0.318 0.000 0.623 165 A CB -1.138 17.673 19.000 -0.316 0.000 0.818 165 A HN 0.592 nan 8.150 nan 0.000 0.443 166 G N -0.464 107.999 108.800 -0.561 0.000 2.432 166 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 166 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 166 G C 1.548 176.269 174.900 -0.297 0.000 1.135 166 G CA 0.950 45.728 45.100 -0.536 0.000 0.767 166 G HN 0.423 nan 8.290 nan 0.000 0.550 167 L N 0.369 121.433 121.223 -0.266 0.000 2.072 167 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 167 L C 3.402 180.213 176.870 -0.099 0.000 1.079 167 L CA 0.869 55.616 54.840 -0.155 0.000 0.752 167 L CB -0.328 41.629 42.059 -0.170 0.000 0.906 167 L HN 0.316 nan 8.230 nan 0.000 0.436 168 A N -0.314 122.430 122.820 -0.127 0.000 1.883 168 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 168 A C 2.283 179.839 177.584 -0.045 0.000 1.186 168 A CA 2.039 54.024 52.037 -0.087 0.000 0.624 168 A CB -0.884 18.041 19.000 -0.125 0.000 0.822 168 A HN 0.217 nan 8.150 nan 0.000 0.444 169 V N -0.246 119.632 119.914 -0.060 0.000 2.261 169 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 169 V C 3.058 179.173 176.094 0.034 0.000 1.047 169 V CA 2.057 64.357 62.300 0.001 0.000 1.015 169 V CB -1.280 30.535 31.823 -0.014 0.000 0.642 169 V HN 0.627 nan 8.190 nan 0.000 0.446 170 A N -0.573 122.249 122.820 0.003 0.000 2.019 170 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 170 A C 2.436 180.031 177.584 0.019 0.000 1.164 170 A CA 2.120 54.169 52.037 0.021 0.000 0.644 170 A CB -0.546 18.453 19.000 -0.002 0.000 0.805 170 A HN 0.521 nan 8.150 nan 0.000 0.449 171 S N -0.509 115.200 115.700 0.015 0.000 2.406 171 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 171 S C 1.921 176.535 174.600 0.023 0.000 1.020 171 S CA 1.498 59.710 58.200 0.020 0.000 0.965 171 S CB -0.304 62.913 63.200 0.028 0.000 0.798 171 S HN 0.611 nan 8.310 nan 0.000 0.488 172 M N 1.008 120.626 119.600 0.031 0.000 2.288 172 M HA 0.045 4.525 4.480 -0.000 0.000 0.266 172 M C 0.964 177.265 176.300 0.001 0.000 1.072 172 M CA 0.640 55.964 55.300 0.039 0.000 1.132 172 M CB -0.312 32.322 32.600 0.056 0.000 1.386 172 M HN 0.044 nan 8.290 nan 0.000 0.432 173 K N 1.329 121.716 120.400 -0.021 0.000 2.466 173 K HA -0.001 4.319 4.320 -0.000 0.000 0.278 173 K C 0.864 177.415 176.600 -0.081 0.000 1.048 173 K CA 0.999 57.224 56.287 -0.102 0.000 1.088 173 K CB -0.021 32.449 32.500 -0.051 0.000 0.884 173 K HN 0.486 nan 8.250 nan 0.000 0.478 174 G N 3.218 111.951 108.800 -0.112 0.000 2.241 174 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 174 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 174 G C -0.124 174.762 174.900 -0.024 0.000 0.998 174 G CA 0.039 45.102 45.100 -0.063 0.000 0.621 174 G HN 0.549 nan 8.290 nan 0.000 0.519 175 K N 0.945 121.342 120.400 -0.005 0.000 2.102 175 K HA 0.700 5.020 4.320 -0.000 0.000 0.244 175 K C 0.356 176.975 176.600 0.031 0.000 1.021 175 K CA -0.185 56.115 56.287 0.022 0.000 0.913 175 K CB 0.999 33.525 32.500 0.043 0.000 1.062 175 K HN 0.200 nan 8.250 nan 0.000 0.485 176 S N 0.140 115.860 115.700 0.033 0.000 2.651 176 S HA 0.339 4.809 4.470 -0.000 0.000 0.291 176 S C -1.026 173.583 174.600 0.015 0.000 1.141 176 S CA -0.641 57.565 58.200 0.009 0.000 1.027 176 S CB 0.677 63.877 63.200 0.000 0.000 1.043 176 S HN 0.493 nan 8.310 nan 0.000 0.530 177 Y N 2.215 122.388 120.300 -0.211 0.000 2.328 177 Y HA 0.608 5.158 4.550 -0.000 0.000 0.337 177 Y C -1.048 174.696 175.900 -0.260 0.000 0.966 177 Y CA -1.145 56.792 58.100 -0.272 0.000 1.136 177 Y CB 0.715 38.768 38.460 -0.678 0.000 1.170 177 Y HN 0.502 nan 8.280 nan 0.000 0.470 178 L N 6.384 127.151 121.223 -0.760 0.000 2.255 178 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 178 L C -0.320 176.136 176.870 -0.689 0.000 1.046 178 L CA 0.200 54.705 54.840 -0.559 0.000 0.816 178 L CB 0.962 42.823 42.059 -0.330 0.000 1.197 178 L HN 0.667 nan 8.230 nan 0.000 0.427 179 S N 6.418 121.901 115.700 -0.362 0.000 2.473 179 S HA 0.345 4.815 4.470 -0.000 0.000 0.312 179 S C -0.196 174.348 174.600 -0.094 0.000 1.087 179 S CA -0.611 57.520 58.200 -0.116 0.000 1.077 179 S CB -0.305 62.933 63.200 0.063 0.000 1.065 179 S HN 0.676 nan 8.310 nan 0.000 0.510 180 L N 6.074 127.253 121.223 -0.073 0.000 2.328 180 L HA 0.542 4.882 4.340 -0.000 0.000 0.280 180 L C 0.837 177.714 176.870 0.012 0.000 1.111 180 L CA 0.403 55.242 54.840 -0.002 0.000 0.909 180 L CB -0.518 41.582 42.059 0.069 0.000 1.277 180 L HN 1.015 nan 8.230 nan 0.000 0.433 181 G N 2.414 111.219 108.800 0.009 0.000 2.466 181 G HA2 0.000 3.960 3.960 -0.000 0.000 0.316 181 G HA3 0.000 3.960 3.960 -0.000 0.000 0.316 181 G C -0.272 174.641 174.900 0.022 0.000 1.270 181 G CA -0.424 44.677 45.100 0.002 0.000 0.982 181 G HN 0.800 nan 8.290 nan 0.000 0.506 182 G N -1.708 107.107 108.800 0.026 0.000 3.407 182 G HA2 0.703 4.663 3.960 -0.000 0.000 0.187 182 G HA3 0.703 4.663 3.960 -0.000 0.000 0.187 182 G C -0.017 174.901 174.900 0.031 0.000 1.262 182 G CA 0.434 45.563 45.100 0.050 0.000 0.808 182 G HN 1.560 nan 8.290 nan 0.000 0.687 183 V N 1.138 121.074 119.914 0.036 0.000 2.614 183 V HA 0.468 4.588 4.120 -0.000 0.000 0.291 183 V C 0.411 176.486 176.094 -0.032 0.000 1.049 183 V CA -0.172 62.139 62.300 0.018 0.000 1.038 183 V CB 1.231 33.072 31.823 0.030 0.000 0.980 183 V HN 0.487 nan 8.190 nan 0.000 0.481 184 S N 5.751 121.427 115.700 -0.040 0.000 2.448 184 S HA 0.519 4.989 4.470 -0.000 0.000 0.320 184 S C 0.249 174.817 174.600 -0.055 0.000 1.071 184 S CA -0.606 57.543 58.200 -0.085 0.000 1.113 184 S CB -0.173 62.981 63.200 -0.076 0.000 0.972 184 S HN 0.729 nan 8.310 nan 0.000 0.465 185 M N 3.799 123.354 119.600 -0.075 0.000 2.169 185 M HA -0.216 4.264 4.480 -0.000 0.000 0.196 185 M C 1.012 177.301 176.300 -0.019 0.000 0.355 185 M CA 0.928 56.205 55.300 -0.040 0.000 0.396 185 M CB -2.118 30.464 32.600 -0.030 0.000 1.125 185 M HN 1.095 nan 8.290 nan 0.000 0.939 186 G N 0.270 109.063 108.800 -0.012 0.000 2.233 186 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.270 186 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.270 186 G C 0.063 174.953 174.900 -0.017 0.000 1.011 186 G CA 0.400 45.496 45.100 -0.008 0.000 0.762 186 G HN 0.715 nan 8.290 nan 0.000 0.511 187 I N 0.783 121.343 120.570 -0.018 0.000 2.436 187 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 187 I C 1.968 178.070 176.117 -0.025 0.000 1.083 187 I CA 0.098 61.380 61.300 -0.031 0.000 1.372 187 I CB 0.922 38.911 38.000 -0.018 0.000 1.408 187 I HN 0.216 nan 8.210 nan 0.000 0.516 188 A N 5.957 128.749 122.820 -0.047 0.000 1.903 188 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 188 A C 2.254 179.815 177.584 -0.039 0.000 1.191 188 A CA 2.270 54.278 52.037 -0.048 0.000 0.638 188 A CB -1.157 17.798 19.000 -0.075 0.000 0.823 188 A HN 0.891 nan 8.150 nan 0.000 0.451 189 G N -0.643 108.131 108.800 -0.042 0.000 2.470 189 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.220 189 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.220 189 G C 1.706 176.631 174.900 0.042 0.000 1.121 189 G CA 1.587 46.678 45.100 -0.015 0.000 0.766 189 G HN 0.990 nan 8.290 nan 0.000 0.553 190 S N -0.266 115.464 115.700 0.051 0.000 2.562 190 S HA 0.238 4.708 4.470 -0.000 0.000 0.221 190 S C 1.025 175.666 174.600 0.068 0.000 0.975 190 S CA -0.369 57.874 58.200 0.073 0.000 0.918 190 S CB -0.127 63.108 63.200 0.059 0.000 0.772 190 S HN 0.232 nan 8.310 nan 0.000 0.531 191 I N 3.396 123.997 120.570 0.052 0.000 2.206 191 I HA 0.184 4.354 4.170 -0.000 0.000 0.292 191 I C -0.359 175.813 176.117 0.092 0.000 1.156 191 I CA -0.643 60.694 61.300 0.062 0.000 1.356 191 I CB 0.329 38.350 38.000 0.036 0.000 1.494 191 I HN 0.004 nan 8.210 nan 0.000 0.601 192 V N 4.092 124.082 119.914 0.127 0.000 2.539 192 V HA -0.142 3.978 4.120 -0.000 0.000 0.300 192 V C 0.775 177.029 176.094 0.266 0.000 1.019 192 V CA 0.563 62.962 62.300 0.164 0.000 1.160 192 V CB 0.173 32.054 31.823 0.098 0.000 0.901 192 V HN 0.595 nan 8.190 nan 0.000 0.481 193 D N 4.056 124.637 120.400 0.302 0.000 2.441 193 D HA 0.155 4.795 4.640 -0.000 0.000 0.221 193 D C 0.983 177.575 176.300 0.487 0.000 1.156 193 D CA -0.345 53.857 54.000 0.337 0.000 0.896 193 D CB 0.623 41.557 40.800 0.223 0.000 1.028 193 D HN 0.597 nan 8.370 nan 0.000 0.509 194 H N 2.252 121.466 119.070 0.241 0.000 2.387 194 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 194 H C 1.629 177.122 175.328 0.275 0.000 1.099 194 H CA 1.507 57.694 56.048 0.232 0.000 1.315 194 H CB 0.011 29.851 29.762 0.131 0.000 1.380 194 H HN 0.410 nan 8.280 nan 0.000 0.513 195 N N -0.128 118.806 118.700 0.391 0.000 2.166 195 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 195 N C 1.686 177.461 175.510 0.441 0.000 1.019 195 N CA 0.830 54.089 53.050 0.349 0.000 0.856 195 N CB -0.306 38.363 38.487 0.303 0.000 0.993 195 N HN 0.250 nan 8.380 nan 0.000 0.426 196 F N 0.042 120.158 119.950 0.276 0.000 2.134 196 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 196 F C 1.562 177.464 175.800 0.169 0.000 1.097 196 F CA 1.291 59.395 58.000 0.174 0.000 1.264 196 F CB -0.735 38.150 39.000 -0.191 0.000 1.001 196 F HN 0.009 nan 8.300 nan 0.000 0.479 197 F N 1.169 121.014 119.950 -0.175 0.000 2.146 197 F HA -0.126 4.400 4.527 -0.000 0.000 0.298 197 F C 2.438 178.154 175.800 -0.139 0.000 1.096 197 F CA 1.944 59.762 58.000 -0.302 0.000 1.275 197 F CB -0.720 38.181 39.000 -0.164 0.000 1.008 197 F HN 0.027 nan 8.300 nan 0.000 0.480 198 E N -0.483 119.824 120.200 0.179 0.000 2.047 198 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 198 E C 2.300 178.965 176.600 0.108 0.000 0.987 198 E CA 1.583 58.049 56.400 0.109 0.000 0.799 198 E CB -0.281 29.500 29.700 0.135 0.000 0.752 198 E HN 0.225 nan 8.360 nan 0.000 0.449 199 S N -0.120 115.690 115.700 0.184 0.000 2.377 199 S HA -0.056 4.414 4.470 -0.000 0.000 0.223 199 S C 1.543 176.209 174.600 0.110 0.000 1.030 199 S CA 0.538 58.809 58.200 0.119 0.000 0.970 199 S CB -0.129 63.066 63.200 -0.008 0.000 0.830 199 S HN 0.385 nan 8.310 nan 0.000 0.473 200 W N 1.068 122.381 121.300 0.022 0.000 2.525 200 W HA 0.279 4.939 4.660 -0.000 0.000 0.288 200 W C 1.532 178.087 176.519 0.060 0.000 1.200 200 W CA 0.404 57.755 57.345 0.011 0.000 1.349 200 W CB -0.223 29.187 29.460 -0.084 0.000 1.102 200 W HN 0.274 nan 8.180 nan 0.000 0.558 201 L N -0.403 120.877 121.223 0.095 0.000 2.554 201 L HA 0.317 4.657 4.340 -0.000 0.000 0.225 201 L C 1.629 178.458 176.870 -0.068 0.000 1.104 201 L CA 0.694 55.559 54.840 0.042 0.000 0.866 201 L CB -0.760 41.201 42.059 -0.162 0.000 1.047 201 L HN 0.082 nan 8.230 nan 0.000 0.468 202 G N 0.946 109.593 108.800 -0.255 0.000 2.160 202 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.251 202 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.251 202 G C 0.098 174.808 174.900 -0.315 0.000 1.008 202 G CA 0.381 45.035 45.100 -0.743 0.000 0.724 202 G HN 0.255 nan 8.290 nan 0.000 0.514 203 M N -0.943 118.602 119.600 -0.091 0.000 2.706 203 M HA 0.607 5.087 4.480 -0.000 0.000 0.304 203 M C 0.534 176.853 176.300 0.032 0.000 1.217 203 M CA -0.585 54.721 55.300 0.011 0.000 0.922 203 M CB 1.523 34.214 32.600 0.151 0.000 1.637 203 M HN 0.047 nan 8.290 nan 0.000 0.492 204 K N 0.323 120.729 120.400 0.009 0.000 2.221 204 K HA 0.726 5.046 4.320 -0.000 0.000 0.243 204 K C -1.483 175.059 176.600 -0.098 0.000 0.968 204 K CA -0.908 55.372 56.287 -0.012 0.000 0.846 204 K CB 2.324 34.822 32.500 -0.003 0.000 1.141 204 K HN 0.330 nan 8.250 nan 0.000 0.434 205 V N 2.027 121.845 119.914 -0.160 0.000 2.417 205 V HA 0.193 4.313 4.120 -0.000 0.000 0.291 205 V C -0.738 175.248 176.094 -0.180 0.000 1.024 205 V CA -0.684 61.428 62.300 -0.313 0.000 0.861 205 V CB 1.405 32.775 31.823 -0.755 0.000 0.985 205 V HN 0.662 nan 8.190 nan 0.000 0.436 206 Q N 3.891 123.578 119.800 -0.188 0.000 2.348 206 Q HA 0.713 5.053 4.340 -0.000 0.000 0.265 206 Q C -0.519 175.343 176.000 -0.230 0.000 0.998 206 Q CA -0.162 55.513 55.803 -0.213 0.000 0.831 206 Q CB 1.612 30.149 28.738 -0.335 0.000 1.251 206 Q HN 0.934 nan 8.270 nan 0.000 0.456 207 A N 3.436 126.179 122.820 -0.129 0.000 2.301 207 A HA 0.783 5.103 4.320 -0.000 0.000 0.312 207 A C -1.051 176.455 177.584 -0.129 0.000 1.182 207 A CA -0.532 51.458 52.037 -0.078 0.000 0.826 207 A CB 1.091 20.118 19.000 0.045 0.000 1.134 207 A HN 0.578 nan 8.150 nan 0.000 0.501 208 V N 2.806 122.653 119.914 -0.113 0.000 2.668 208 V HA 0.199 4.319 4.120 -0.000 0.000 0.304 208 V C -0.530 175.563 176.094 -0.001 0.000 1.071 208 V CA -0.662 61.588 62.300 -0.084 0.000 0.894 208 V CB 1.892 33.627 31.823 -0.147 0.000 1.008 208 V HN 1.088 nan 8.190 nan 0.000 0.425 209 D N 3.176 123.600 120.400 0.040 0.000 2.399 209 D HA 0.189 4.829 4.640 -0.000 0.000 0.241 209 D C 1.231 177.604 176.300 0.122 0.000 1.133 209 D CA -0.000 54.050 54.000 0.084 0.000 0.890 209 D CB 1.053 41.908 40.800 0.092 0.000 1.201 209 D HN 0.540 nan 8.370 nan 0.000 0.432 210 M N 1.385 121.089 119.600 0.173 0.000 2.446 210 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 210 M C 1.924 178.445 176.300 0.368 0.000 1.066 210 M CA 1.029 56.482 55.300 0.256 0.000 1.087 210 M CB -0.441 32.370 32.600 0.352 0.000 1.406 210 M HN 0.585 nan 8.290 nan 0.000 0.459 211 T N -2.136 112.598 114.554 0.300 0.000 2.977 211 T HA -0.161 4.189 4.350 -0.000 0.000 0.271 211 T C 1.427 176.254 174.700 0.213 0.000 1.105 211 T CA 1.486 63.751 62.100 0.274 0.000 1.116 211 T CB -0.269 68.711 68.868 0.186 0.000 0.878 211 T HN 0.364 nan 8.240 nan 0.000 0.509 212 E N 0.979 121.283 120.200 0.174 0.000 2.208 212 E HA 0.056 4.406 4.350 -0.000 0.000 0.193 212 E C 1.954 178.632 176.600 0.130 0.000 0.988 212 E CA 0.551 57.031 56.400 0.133 0.000 0.828 212 E CB -0.624 29.145 29.700 0.114 0.000 0.763 212 E HN 0.541 nan 8.360 nan 0.000 0.478 213 L N -0.074 121.237 121.223 0.148 0.000 2.072 213 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 213 L C 2.525 179.518 176.870 0.206 0.000 1.079 213 L CA 1.271 56.169 54.840 0.097 0.000 0.752 213 L CB -0.197 41.810 42.059 -0.087 0.000 0.906 213 L HN 0.148 nan 8.230 nan 0.000 0.436 214 R N 0.306 121.004 120.500 0.330 0.000 2.091 214 R HA -0.219 4.121 4.340 -0.000 0.000 0.238 214 R C 2.391 178.748 176.300 0.095 0.000 1.136 214 R CA 1.689 57.894 56.100 0.174 0.000 0.959 214 R CB -0.408 29.957 30.300 0.108 0.000 0.856 214 R HN 0.211 nan 8.270 nan 0.000 0.437 215 R N -0.130 120.437 120.500 0.111 0.000 2.073 215 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 215 R C 1.993 178.343 176.300 0.083 0.000 1.134 215 R CA 1.504 57.653 56.100 0.082 0.000 0.952 215 R CB -0.068 30.280 30.300 0.080 0.000 0.850 215 R HN 0.158 nan 8.270 nan 0.000 0.433 216 R N 0.368 120.926 120.500 0.096 0.000 2.096 216 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 216 R C 2.310 178.726 176.300 0.193 0.000 1.127 216 R CA 1.296 57.466 56.100 0.116 0.000 0.968 216 R CB -0.623 29.740 30.300 0.104 0.000 0.861 216 R HN 0.368 nan 8.270 nan 0.000 0.440 217 I N 1.245 121.907 120.570 0.152 0.000 2.163 217 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 217 I C 1.683 177.905 176.117 0.176 0.000 1.081 217 I CA 1.407 62.802 61.300 0.159 0.000 1.353 217 I CB -0.370 37.658 38.000 0.047 0.000 1.054 217 I HN 0.013 nan 8.210 nan 0.000 0.407 218 D N 0.500 120.951 120.400 0.086 0.000 2.144 218 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 218 D C 1.741 178.073 176.300 0.053 0.000 0.984 218 D CA 1.197 55.231 54.000 0.055 0.000 0.834 218 D CB -0.174 40.640 40.800 0.023 0.000 0.955 218 D HN 0.449 nan 8.370 nan 0.000 0.465 219 Q N 0.026 119.855 119.800 0.049 0.000 2.204 219 Q HA 0.133 4.473 4.340 -0.000 0.000 0.209 219 Q C -0.357 175.612 176.000 -0.052 0.000 0.861 219 Q CA -0.200 55.606 55.803 0.005 0.000 0.971 219 Q CB 0.542 29.283 28.738 0.005 0.000 1.095 219 Q HN -0.091 nan 8.270 nan 0.000 0.486 220 K N 0.531 120.895 120.400 -0.060 0.000 3.077 220 K HA -0.179 4.141 4.320 -0.000 0.000 0.264 220 K C -0.637 175.659 176.600 -0.507 0.000 1.008 220 K CA 0.567 56.589 56.287 -0.441 0.000 0.740 220 K CB -1.780 30.464 32.500 -0.426 0.000 1.273 220 K HN 0.383 nan 8.250 nan 0.000 0.477 221 I N 1.910 122.385 120.570 -0.157 0.000 2.191 221 I HA 0.160 4.330 4.170 -0.000 0.000 0.289 221 I C 0.044 176.194 176.117 0.055 0.000 1.141 221 I CA -0.597 60.659 61.300 -0.074 0.000 1.430 221 I CB -0.724 37.280 38.000 0.007 0.000 1.497 221 I HN 0.256 nan 8.210 nan 0.000 0.636 222 Y N 0.481 120.764 120.300 -0.027 0.000 2.779 222 Y HA 0.389 4.939 4.550 -0.000 0.000 0.340 222 Y C -1.004 174.879 175.900 -0.028 0.000 1.252 222 Y CA -1.763 56.319 58.100 -0.030 0.000 1.072 222 Y CB 0.487 38.927 38.460 -0.034 0.000 1.343 222 Y HN -0.018 nan 8.280 nan 0.000 0.450 223 D N 1.796 122.339 120.400 0.237 0.000 2.374 223 D HA 0.134 4.774 4.640 -0.000 0.000 0.240 223 D C 0.558 176.981 176.300 0.205 0.000 1.229 223 D CA 0.342 54.420 54.000 0.129 0.000 0.895 223 D CB 0.843 41.703 40.800 0.100 0.000 1.046 223 D HN 0.734 nan 8.370 nan 0.000 0.498 224 E N 2.478 122.739 120.200 0.101 0.000 2.085 224 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 224 E C 1.776 178.417 176.600 0.067 0.000 0.994 224 E CA 1.161 57.640 56.400 0.132 0.000 0.801 224 E CB 0.054 29.766 29.700 0.021 0.000 0.743 224 E HN 0.607 nan 8.360 nan 0.000 0.453 225 A N 1.731 124.570 122.820 0.031 0.000 1.883 225 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 225 A C 2.088 179.667 177.584 -0.008 0.000 1.186 225 A CA 1.895 53.937 52.037 0.009 0.000 0.624 225 A CB -0.578 18.428 19.000 0.011 0.000 0.822 225 A HN 0.312 nan 8.150 nan 0.000 0.444 226 E N -0.761 119.443 120.200 0.008 0.000 2.153 226 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 226 E C 1.854 178.341 176.600 -0.189 0.000 0.988 226 E CA 1.198 57.580 56.400 -0.030 0.000 0.811 226 E CB -0.171 29.568 29.700 0.065 0.000 0.746 226 E HN 0.448 nan 8.360 nan 0.000 0.466 227 L N 1.565 122.704 121.223 -0.140 0.000 2.056 227 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 227 L C 1.795 178.520 176.870 -0.242 0.000 1.078 227 L CA 1.832 56.521 54.840 -0.252 0.000 0.749 227 L CB -0.373 41.585 42.059 -0.169 0.000 0.901 227 L HN 0.124 nan 8.230 nan 0.000 0.433 228 E N -0.841 119.278 120.200 -0.135 0.000 2.058 228 E HA -0.318 4.032 4.350 -0.000 0.000 0.194 228 E C 2.198 178.718 176.600 -0.134 0.000 0.997 228 E CA 1.826 58.162 56.400 -0.106 0.000 0.801 228 E CB -0.338 29.330 29.700 -0.054 0.000 0.746 228 E HN 0.556 nan 8.360 nan 0.000 0.450 229 M N 0.451 119.964 119.600 -0.144 0.000 2.175 229 M HA -0.133 4.347 4.480 -0.000 0.000 0.264 229 M C 2.244 178.406 176.300 -0.231 0.000 1.063 229 M CA 1.475 56.703 55.300 -0.121 0.000 1.119 229 M CB -0.001 32.565 32.600 -0.057 0.000 1.377 229 M HN 0.143 nan 8.290 nan 0.000 0.415 230 A N 0.507 122.974 122.820 -0.590 0.000 1.898 230 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 230 A C 1.974 179.322 177.584 -0.392 0.000 1.181 230 A CA 1.274 52.745 52.037 -0.943 0.000 0.620 230 A CB -0.893 17.052 19.000 -1.759 0.000 0.819 230 A HN 0.557 nan 8.150 nan 0.000 0.442 231 L N -0.710 120.311 121.223 -0.337 0.000 2.017 231 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 231 L C 3.152 179.922 176.870 -0.167 0.000 1.073 231 L CA 1.109 55.802 54.840 -0.245 0.000 0.745 231 L CB -0.607 41.336 42.059 -0.193 0.000 0.894 231 L HN 0.447 nan 8.230 nan 0.000 0.432 232 A N -0.418 122.345 122.820 -0.096 0.000 1.873 232 A HA -0.312 4.008 4.320 -0.000 0.000 0.218 232 A C 2.004 179.594 177.584 0.011 0.000 1.193 232 A CA 2.053 54.070 52.037 -0.034 0.000 0.629 232 A CB -1.297 17.706 19.000 0.004 0.000 0.826 232 A HN 0.647 nan 8.150 nan 0.000 0.447 233 W N 0.593 121.816 121.300 -0.128 0.000 2.335 233 W HA -0.157 4.503 4.660 -0.000 0.000 0.311 233 W C 2.471 178.879 176.519 -0.185 0.000 1.213 233 W CA 2.390 59.697 57.345 -0.064 0.000 1.274 233 W CB -0.360 29.141 29.460 0.068 0.000 1.148 233 W HN 0.383 nan 8.180 nan 0.000 0.498 234 A N 0.282 122.873 122.820 -0.382 0.000 1.858 234 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 234 A C 1.815 178.976 177.584 -0.705 0.000 1.190 234 A CA 2.151 53.508 52.037 -1.133 0.000 0.617 234 A CB -1.194 17.083 19.000 -1.205 0.000 0.827 234 A HN 0.315 nan 8.150 nan 0.000 0.443 235 D N -0.456 119.730 120.400 -0.356 0.000 2.116 235 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 235 D C 1.910 178.141 176.300 -0.115 0.000 0.998 235 D CA 1.874 55.777 54.000 -0.161 0.000 0.836 235 D CB -0.203 40.535 40.800 -0.102 0.000 0.951 235 D HN 0.445 nan 8.370 nan 0.000 0.449 236 K N 0.567 120.883 120.400 -0.140 0.000 2.211 236 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 236 K C 1.337 177.863 176.600 -0.122 0.000 1.050 236 K CA 1.123 57.352 56.287 -0.097 0.000 0.945 236 K CB 0.183 32.648 32.500 -0.059 0.000 0.732 236 K HN 0.081 nan 8.250 nan 0.000 0.451 237 N N -1.223 117.340 118.700 -0.229 0.000 2.382 237 N HA 0.028 4.768 4.740 -0.000 0.000 0.200 237 N C -0.689 174.836 175.510 0.025 0.000 1.122 237 N CA -0.071 52.880 53.050 -0.165 0.000 0.870 237 N CB 0.376 38.631 38.487 -0.388 0.000 1.176 237 N HN -0.017 nan 8.380 nan 0.000 0.474 238 F N 2.744 122.479 119.950 -0.358 0.000 2.533 238 F HA 0.180 4.707 4.527 -0.000 0.000 0.378 238 F C 1.120 176.734 175.800 -0.310 0.000 1.070 238 F CA -0.319 57.443 58.000 -0.396 0.000 1.172 238 F CB -0.033 38.473 39.000 -0.822 0.000 1.085 238 F HN -0.315 nan 8.300 nan 0.000 0.552 239 R N 3.600 124.080 120.500 -0.032 0.000 2.229 239 R HA 0.316 4.656 4.340 -0.000 0.000 0.328 239 R C -1.086 175.164 176.300 -0.083 0.000 1.009 239 R CA -0.484 55.608 56.100 -0.013 0.000 0.864 239 R CB 0.584 30.890 30.300 0.010 0.000 1.085 239 R HN 0.443 nan 8.270 nan 0.000 0.453 240 Y N 0.691 121.089 120.300 0.165 0.000 2.335 240 Y HA 0.462 5.011 4.550 -0.000 0.000 0.323 240 Y C 1.209 177.189 175.900 0.134 0.000 1.224 240 Y CA -0.013 58.191 58.100 0.173 0.000 1.241 240 Y CB 1.586 40.135 38.460 0.148 0.000 1.235 240 Y HN 0.640 nan 8.280 nan 0.000 0.492 241 G N 0.168 109.153 108.800 0.308 0.000 2.667 241 G HA2 0.380 4.340 3.960 -0.000 0.000 0.310 241 G HA3 0.380 4.340 3.960 -0.000 0.000 0.310 241 G C -1.217 173.795 174.900 0.186 0.000 1.259 241 G CA -0.998 44.218 45.100 0.194 0.000 1.019 241 G HN 0.617 nan 8.290 nan 0.000 0.496 242 E N 1.061 121.337 120.200 0.127 0.000 2.292 242 E HA 0.004 4.354 4.350 -0.000 0.000 0.265 242 E C -0.674 175.992 176.600 0.111 0.000 1.093 242 E CA -0.052 56.412 56.400 0.105 0.000 0.922 242 E CB 0.765 30.509 29.700 0.073 0.000 1.001 242 E HN 0.326 nan 8.360 nan 0.000 0.444 243 D N 4.113 124.586 120.400 0.121 0.000 2.346 243 D HA -0.070 4.570 4.640 -0.000 0.000 0.267 243 D C 0.126 176.481 176.300 0.091 0.000 1.320 243 D CA 0.356 54.428 54.000 0.120 0.000 0.951 243 D CB 0.406 41.277 40.800 0.118 0.000 1.079 243 D HN 0.394 nan 8.370 nan 0.000 0.509 244 E N 2.664 122.915 120.200 0.084 0.000 2.416 244 E HA 0.008 4.358 4.350 -0.000 0.000 0.189 244 E C -0.019 176.632 176.600 0.085 0.000 1.091 244 E CA -0.116 56.324 56.400 0.066 0.000 0.889 244 E CB -0.012 29.709 29.700 0.036 0.000 1.015 244 E HN 0.481 nan 8.360 nan 0.000 0.479 245 N N 1.201 119.966 118.700 0.108 0.000 2.524 245 N HA 0.072 4.812 4.740 -0.000 0.000 0.283 245 N C -0.614 174.976 175.510 0.134 0.000 1.142 245 N CA -0.606 52.530 53.050 0.143 0.000 0.984 245 N CB 0.641 39.228 38.487 0.166 0.000 1.155 245 N HN -0.011 nan 8.380 nan 0.000 0.467 246 N N 2.148 120.959 118.700 0.185 0.000 2.412 246 N HA -0.048 4.692 4.740 -0.000 0.000 0.254 246 N C 0.796 176.325 175.510 0.032 0.000 1.232 246 N CA -0.094 53.024 53.050 0.114 0.000 0.880 246 N CB 0.559 39.141 38.487 0.158 0.000 1.076 246 N HN 0.415 nan 8.380 nan 0.000 0.458 247 K N 1.580 121.964 120.400 -0.027 0.000 2.077 247 K HA -0.286 4.034 4.320 -0.000 0.000 0.213 247 K C 1.302 177.819 176.600 -0.138 0.000 1.051 247 K CA 1.403 57.655 56.287 -0.058 0.000 0.929 247 K CB -0.268 32.199 32.500 -0.056 0.000 0.715 247 K HN 0.691 nan 8.250 nan 0.000 0.451 248 Q N -0.499 119.130 119.800 -0.286 0.000 2.591 248 Q HA -0.148 4.191 4.340 -0.000 0.000 0.219 248 Q C 0.080 175.713 176.000 -0.611 0.000 0.981 248 Q CA 0.935 56.453 55.803 -0.474 0.000 0.945 248 Q CB 0.164 28.514 28.738 -0.646 0.000 0.985 248 Q HN 0.376 nan 8.270 nan 0.000 0.542 249 Y N -2.033 118.189 120.300 -0.130 0.000 2.666 249 Y HA 0.264 4.814 4.550 -0.000 0.000 0.260 249 Y C 0.154 175.952 175.900 -0.170 0.000 1.089 249 Y CA -0.672 57.270 58.100 -0.264 0.000 1.246 249 Y CB 0.386 38.661 38.460 -0.308 0.000 1.353 249 Y HN -0.030 nan 8.280 nan 0.000 0.558 250 Q N 2.146 121.970 119.800 0.040 0.000 2.394 250 Q HA 0.235 4.575 4.340 -0.000 0.000 0.248 250 Q C 0.619 176.633 176.000 0.024 0.000 0.992 250 Q CA 0.090 55.920 55.803 0.044 0.000 0.888 250 Q CB 0.648 29.406 28.738 0.034 0.000 1.257 250 Q HN 0.456 nan 8.270 nan 0.000 0.462 251 R N 1.057 121.578 120.500 0.036 0.000 2.617 251 R HA 0.147 4.487 4.340 -0.000 0.000 0.432 251 R C 0.150 176.469 176.300 0.032 0.000 1.018 251 R CA -0.170 55.948 56.100 0.030 0.000 1.077 251 R CB -0.372 29.950 30.300 0.037 0.000 1.394 251 R HN 0.602 nan 8.270 nan 0.000 0.608 252 N N 1.211 119.929 118.700 0.030 0.000 2.651 252 N HA -0.123 4.617 4.740 -0.000 0.000 0.193 252 N C 0.263 175.780 175.510 0.012 0.000 1.149 252 N CA 0.597 53.661 53.050 0.022 0.000 0.933 252 N CB 0.158 38.656 38.487 0.018 0.000 0.974 252 N HN 0.526 nan 8.380 nan 0.000 0.448 253 A N 1.132 123.960 122.820 0.014 0.000 2.900 253 A HA -0.002 4.318 4.320 -0.000 0.000 0.246 253 A C 0.724 178.315 177.584 0.012 0.000 1.725 253 A CA 0.071 52.114 52.037 0.010 0.000 1.400 253 A CB -0.848 18.157 19.000 0.008 0.000 0.973 253 A HN 0.585 nan 8.150 nan 0.000 0.635 254 E N -1.172 119.033 120.200 0.009 0.000 2.885 254 E HA -0.378 3.972 4.350 -0.000 0.000 0.267 254 E C 0.971 177.583 176.600 0.020 0.000 1.100 254 E CA 1.726 58.131 56.400 0.008 0.000 0.779 254 E CB -0.869 28.832 29.700 0.002 0.000 1.383 254 E HN 0.910 nan 8.360 nan 0.000 0.443 255 Q N -1.191 118.627 119.800 0.030 0.000 2.250 255 Q HA 0.067 4.407 4.340 -0.000 0.000 0.200 255 Q C 2.040 178.075 176.000 0.059 0.000 0.941 255 Q CA 0.955 56.781 55.803 0.040 0.000 0.872 255 Q CB 0.232 28.994 28.738 0.041 0.000 0.965 255 Q HN 0.155 nan 8.270 nan 0.000 0.480 256 S N 1.176 116.917 115.700 0.068 0.000 2.407 256 S HA -0.229 4.241 4.470 -0.000 0.000 0.235 256 S C 1.826 176.519 174.600 0.155 0.000 1.036 256 S CA 1.554 59.830 58.200 0.126 0.000 1.013 256 S CB -0.176 63.104 63.200 0.134 0.000 0.820 256 S HN 0.205 nan 8.310 nan 0.000 0.476 257 R N 1.503 122.048 120.500 0.076 0.000 2.115 257 R HA 0.129 4.469 4.340 -0.000 0.000 0.230 257 R C 2.171 178.504 176.300 0.055 0.000 1.111 257 R CA 1.224 57.353 56.100 0.049 0.000 0.976 257 R CB -0.700 29.602 30.300 0.004 0.000 0.870 257 R HN 0.350 nan 8.270 nan 0.000 0.445 258 A N -0.441 122.413 122.820 0.056 0.000 1.933 258 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 258 A C 2.191 179.819 177.584 0.073 0.000 1.175 258 A CA 1.614 53.680 52.037 0.048 0.000 0.628 258 A CB -0.544 18.482 19.000 0.044 0.000 0.814 258 A HN 0.168 nan 8.150 nan 0.000 0.444 259 V N 0.150 120.132 119.914 0.114 0.000 2.307 259 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 259 V C 2.464 178.693 176.094 0.224 0.000 1.045 259 V CA 1.699 64.088 62.300 0.149 0.000 1.024 259 V CB -0.717 31.170 31.823 0.107 0.000 0.651 259 V HN 0.626 nan 8.190 nan 0.000 0.449 260 L N 0.295 121.696 121.223 0.297 0.000 2.046 260 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 260 L C 2.650 179.553 176.870 0.055 0.000 1.077 260 L CA 2.205 57.182 54.840 0.230 0.000 0.747 260 L CB -0.640 41.488 42.059 0.114 0.000 0.896 260 L HN 0.330 nan 8.230 nan 0.000 0.432 261 R N -0.056 120.453 120.500 0.014 0.000 2.066 261 R HA -0.250 4.090 4.340 -0.000 0.000 0.232 261 R C 2.211 178.469 176.300 -0.070 0.000 1.131 261 R CA 1.959 58.023 56.100 -0.060 0.000 0.955 261 R CB -0.142 30.128 30.300 -0.050 0.000 0.851 261 R HN 0.438 nan 8.270 nan 0.000 0.432 262 E N -0.261 119.933 120.200 -0.010 0.000 2.072 262 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 262 E C 1.778 178.384 176.600 0.010 0.000 0.985 262 E CA 1.628 58.024 56.400 -0.006 0.000 0.801 262 E CB 0.046 29.776 29.700 0.049 0.000 0.750 262 E HN 0.228 nan 8.360 nan 0.000 0.452 263 S N 0.418 116.157 115.700 0.065 0.000 2.370 263 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 263 S C 1.858 176.467 174.600 0.016 0.000 1.033 263 S CA 1.178 59.427 58.200 0.080 0.000 1.011 263 S CB -0.251 63.054 63.200 0.175 0.000 0.852 263 S HN 0.287 nan 8.310 nan 0.000 0.457 264 L N 0.712 121.914 121.223 -0.034 0.000 2.109 264 L HA -0.018 4.321 4.340 -0.000 0.000 0.207 264 L C 2.266 179.053 176.870 -0.137 0.000 1.086 264 L CA 0.813 55.600 54.840 -0.089 0.000 0.760 264 L CB -0.495 41.411 42.059 -0.254 0.000 0.910 264 L HN 0.277 nan 8.230 nan 0.000 0.437 265 L N -0.818 120.286 121.223 -0.198 0.000 2.083 265 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 265 L C 2.679 179.433 176.870 -0.193 0.000 1.083 265 L CA 1.355 56.027 54.840 -0.280 0.000 0.752 265 L CB -0.247 41.592 42.059 -0.367 0.000 0.899 265 L HN 0.315 nan 8.230 nan 0.000 0.433 266 M N -0.926 118.585 119.600 -0.149 0.000 2.108 266 M HA -0.240 4.240 4.480 -0.000 0.000 0.261 266 M C 2.472 178.638 176.300 -0.224 0.000 1.066 266 M CA 2.023 57.197 55.300 -0.211 0.000 1.107 266 M CB -0.475 31.979 32.600 -0.243 0.000 1.356 266 M HN 0.332 nan 8.290 nan 0.000 0.406 267 A N 0.202 122.945 122.820 -0.128 0.000 1.883 267 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 267 A C 2.109 179.639 177.584 -0.091 0.000 1.186 267 A CA 1.843 53.827 52.037 -0.087 0.000 0.624 267 A CB -0.640 18.416 19.000 0.093 0.000 0.822 267 A HN 0.469 nan 8.150 nan 0.000 0.444 268 M N -1.030 118.564 119.600 -0.010 0.000 2.086 268 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 268 M C 2.413 178.666 176.300 -0.078 0.000 1.067 268 M CA 1.641 56.942 55.300 0.002 0.000 1.116 268 M CB -0.672 31.936 32.600 0.014 0.000 1.348 268 M HN 0.556 nan 8.290 nan 0.000 0.407 269 C N 0.249 119.487 119.300 -0.104 0.000 2.446 269 C HA -0.098 4.361 4.460 -0.000 0.000 0.277 269 C C 2.630 177.540 174.990 -0.133 0.000 1.275 269 C CA 0.502 59.467 59.018 -0.089 0.000 1.727 269 C CB -0.911 26.782 27.740 -0.078 0.000 2.010 269 C HN 0.513 nan 8.230 nan 0.000 0.486 270 I N 0.591 121.037 120.570 -0.207 0.000 2.179 270 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 270 I C 2.922 178.877 176.117 -0.269 0.000 1.088 270 I CA 1.537 62.691 61.300 -0.243 0.000 1.357 270 I CB -0.641 37.163 38.000 -0.327 0.000 1.051 270 I HN 0.350 nan 8.210 nan 0.000 0.409 271 R N 1.083 121.368 120.500 -0.358 0.000 2.083 271 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 271 R C 1.790 177.929 176.300 -0.269 0.000 1.137 271 R CA 2.244 58.035 56.100 -0.515 0.000 0.951 271 R CB -0.298 29.663 30.300 -0.565 0.000 0.851 271 R HN 0.298 nan 8.270 nan 0.000 0.434 272 D N 0.268 120.570 120.400 -0.163 0.000 2.178 272 D HA -0.170 4.470 4.640 -0.000 0.000 0.201 272 D C 1.944 178.186 176.300 -0.096 0.000 0.980 272 D CA 1.358 55.301 54.000 -0.094 0.000 0.842 272 D CB -0.121 40.647 40.800 -0.054 0.000 0.948 272 D HN 0.351 nan 8.370 nan 0.000 0.472 273 M N -0.655 118.894 119.600 -0.085 0.000 2.200 273 M HA -0.049 4.431 4.480 -0.000 0.000 0.265 273 M C 2.192 178.506 176.300 0.023 0.000 1.066 273 M CA 0.981 56.268 55.300 -0.022 0.000 1.127 273 M CB -0.089 32.564 32.600 0.089 0.000 1.379 273 M HN 0.015 nan 8.290 nan 0.000 0.420 274 M N -0.154 119.429 119.600 -0.029 0.000 2.099 274 M HA -0.217 4.263 4.480 -0.000 0.000 0.262 274 M C 1.901 178.218 176.300 0.028 0.000 1.067 274 M CA 1.769 57.069 55.300 0.001 0.000 1.124 274 M CB -0.273 32.294 32.600 -0.055 0.000 1.353 274 M HN 0.320 nan 8.290 nan 0.000 0.410 275 Q N -0.398 119.409 119.800 0.012 0.000 2.171 275 Q HA 0.428 4.768 4.340 -0.000 0.000 0.218 275 Q C 0.394 176.386 176.000 -0.013 0.000 0.822 275 Q CA 0.133 55.956 55.803 0.033 0.000 0.987 275 Q CB 0.831 29.635 28.738 0.110 0.000 1.144 275 Q HN 0.370 nan 8.270 nan 0.000 0.494 276 G N 1.784 110.549 108.800 -0.058 0.000 2.814 276 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.677 276 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.677 276 G C -1.124 173.750 174.900 -0.044 0.000 1.429 276 G CA -0.248 44.808 45.100 -0.075 0.000 0.868 276 G HN 0.369 nan 8.290 nan 0.000 0.553 277 N N -0.776 117.898 118.700 -0.044 0.000 2.752 277 N HA 0.387 5.127 4.740 -0.000 0.000 0.268 277 N C 1.202 176.698 175.510 -0.024 0.000 1.190 277 N CA 0.500 53.537 53.050 -0.023 0.000 0.897 277 N CB 1.291 39.770 38.487 -0.014 0.000 1.515 277 N HN 1.206 nan 8.380 nan 0.000 0.567 278 S N 2.830 118.520 115.700 -0.018 0.000 2.419 278 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 278 S C 1.456 176.046 174.600 -0.016 0.000 1.019 278 S CA 0.689 58.878 58.200 -0.019 0.000 0.982 278 S CB -0.018 63.174 63.200 -0.014 0.000 0.789 278 S HN 0.488 nan 8.310 nan 0.000 0.490 279 K N 1.689 122.083 120.400 -0.010 0.000 2.152 279 K HA 0.082 4.402 4.320 -0.000 0.000 0.206 279 K C 2.026 178.614 176.600 -0.020 0.000 1.048 279 K CA 0.940 57.222 56.287 -0.009 0.000 0.933 279 K CB -0.820 31.682 32.500 0.004 0.000 0.721 279 K HN 0.480 nan 8.250 nan 0.000 0.447 280 L N 0.424 121.633 121.223 -0.022 0.000 2.191 280 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 280 L C 2.447 179.294 176.870 -0.038 0.000 1.103 280 L CA 0.933 55.753 54.840 -0.034 0.000 0.769 280 L CB -0.618 41.421 42.059 -0.034 0.000 0.908 280 L HN 0.087 nan 8.230 nan 0.000 0.438 281 A N -0.279 122.521 122.820 -0.033 0.000 1.968 281 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 281 A C 1.860 179.427 177.584 -0.029 0.000 1.169 281 A CA 1.358 53.376 52.037 -0.031 0.000 0.638 281 A CB -0.278 18.705 19.000 -0.028 0.000 0.812 281 A HN 0.322 nan 8.150 nan 0.000 0.446 282 D N 0.389 120.773 120.400 -0.028 0.000 2.178 282 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 282 D C 1.579 177.859 176.300 -0.033 0.000 0.974 282 D CA 1.515 55.499 54.000 -0.026 0.000 0.841 282 D CB -0.319 40.468 40.800 -0.023 0.000 0.953 282 D HN 0.751 nan 8.370 nan 0.000 0.478 283 I N -3.419 117.125 120.570 -0.042 0.000 3.858 283 I HA 0.390 4.560 4.170 -0.000 0.000 0.325 283 I C 1.141 177.229 176.117 -0.049 0.000 1.403 283 I CA 0.158 61.427 61.300 -0.053 0.000 1.169 283 I CB 0.035 37.989 38.000 -0.076 0.000 1.077 283 I HN -0.023 nan 8.210 nan 0.000 0.403 284 G N 2.145 110.922 108.800 -0.038 0.000 2.179 284 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 284 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 284 G C 0.346 175.226 174.900 -0.033 0.000 0.977 284 G CA -0.262 44.818 45.100 -0.033 0.000 0.641 284 G HN 0.427 nan 8.290 nan 0.000 0.533 285 R N 1.388 121.865 120.500 -0.039 0.000 3.956 285 R HA 0.381 4.721 4.340 -0.000 0.000 0.237 285 R C 1.919 178.196 176.300 -0.038 0.000 1.552 285 R CA 0.423 56.500 56.100 -0.037 0.000 1.529 285 R CB -0.057 30.218 30.300 -0.042 0.000 1.376 285 R HN 0.652 nan 8.270 nan 0.000 0.733 286 V N -1.455 118.439 119.914 -0.033 0.000 2.358 286 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 286 V C 2.116 178.184 176.094 -0.044 0.000 1.047 286 V CA 1.542 63.820 62.300 -0.035 0.000 1.035 286 V CB -0.433 31.373 31.823 -0.027 0.000 0.658 286 V HN 0.459 nan 8.190 nan 0.000 0.452 287 E N 0.862 121.039 120.200 -0.039 0.000 2.058 287 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 287 E C 2.134 178.683 176.600 -0.085 0.000 0.997 287 E CA 1.957 58.328 56.400 -0.048 0.000 0.801 287 E CB -0.143 29.541 29.700 -0.027 0.000 0.746 287 E HN 0.749 nan 8.360 nan 0.000 0.450 288 E N 0.145 120.299 120.200 -0.077 0.000 2.265 288 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 288 E C 2.073 178.599 176.600 -0.123 0.000 0.996 288 E CA 1.195 57.532 56.400 -0.105 0.000 0.832 288 E CB -0.081 29.584 29.700 -0.059 0.000 0.756 288 E HN 0.333 nan 8.360 nan 0.000 0.491 289 S N 0.275 115.921 115.700 -0.091 0.000 2.423 289 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 289 S C 1.931 176.471 174.600 -0.099 0.000 1.014 289 S CA 0.592 58.744 58.200 -0.080 0.000 0.965 289 S CB -0.385 62.782 63.200 -0.055 0.000 0.785 289 S HN 0.205 nan 8.310 nan 0.000 0.495 290 L N 1.432 122.581 121.223 -0.123 0.000 2.083 290 L HA 0.155 4.495 4.340 -0.000 0.000 0.209 290 L C 1.768 178.534 176.870 -0.172 0.000 1.083 290 L CA 0.718 55.481 54.840 -0.127 0.000 0.752 290 L CB -1.647 40.341 42.059 -0.117 0.000 0.899 290 L HN 0.708 nan 8.230 nan 0.000 0.433 291 G N -1.545 107.078 108.800 -0.296 0.000 2.760 291 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.246 291 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.246 291 G C -0.496 174.134 174.900 -0.449 0.000 1.359 291 G CA -0.080 44.810 45.100 -0.350 0.000 0.861 291 G HN 0.084 nan 8.290 nan 0.000 0.541 292 Y N 0.503 120.784 120.300 -0.032 0.000 2.531 292 Y HA 0.317 4.867 4.550 -0.000 0.000 0.249 292 Y C 1.487 177.369 175.900 -0.029 0.000 1.168 292 Y CA 0.027 58.107 58.100 -0.033 0.000 1.226 292 Y CB 0.332 38.761 38.460 -0.051 0.000 1.177 292 Y HN 0.821 nan 8.280 nan 0.000 0.527 293 N N 0.508 119.255 118.700 0.079 0.000 2.754 293 N HA -0.196 4.543 4.740 -0.000 0.000 0.248 293 N C -0.542 175.005 175.510 0.061 0.000 1.093 293 N CA 0.606 53.688 53.050 0.055 0.000 0.699 293 N CB -0.965 37.548 38.487 0.044 0.000 1.016 293 N HN 0.351 nan 8.380 nan 0.000 0.552 294 A N 0.249 123.110 122.820 0.069 0.000 2.331 294 A HA 0.573 4.893 4.320 -0.000 0.000 0.283 294 A C 1.342 178.965 177.584 0.065 0.000 1.142 294 A CA -0.394 51.667 52.037 0.041 0.000 0.812 294 A CB 0.545 19.541 19.000 -0.007 0.000 1.074 294 A HN 0.473 nan 8.150 nan 0.000 0.497 295 I N 0.611 121.227 120.570 0.077 0.000 4.018 295 I HA 0.453 4.623 4.170 -0.000 0.000 0.337 295 I C 0.488 176.686 176.117 0.134 0.000 1.327 295 I CA 0.662 62.027 61.300 0.108 0.000 1.100 295 I CB 0.076 38.140 38.000 0.106 0.000 1.025 295 I HN 0.734 nan 8.210 nan 0.000 0.396 296 A N 0.523 123.405 122.820 0.104 0.000 2.605 296 A HA 0.835 5.155 4.320 -0.000 0.000 0.294 296 A C -1.421 176.085 177.584 -0.130 0.000 1.062 296 A CA -0.000 52.106 52.037 0.115 0.000 0.682 296 A CB 1.146 20.325 19.000 0.299 0.000 1.278 296 A HN 0.195 nan 8.150 nan 0.000 0.410 297 A N -0.268 122.442 122.820 -0.182 0.000 2.593 297 A HA 0.990 5.310 4.320 -0.000 0.000 0.290 297 A C -0.195 177.243 177.584 -0.243 0.000 1.126 297 A CA -0.193 51.556 52.037 -0.480 0.000 0.695 297 A CB 1.422 20.253 19.000 -0.281 0.000 1.290 297 A HN 2.435 nan 8.150 nan 0.000 0.414 298 G N -0.832 107.821 108.800 -0.245 0.000 2.638 298 G HA2 0.607 4.567 3.960 -0.000 0.000 0.302 298 G HA3 0.607 4.567 3.960 -0.000 0.000 0.302 298 G C -1.814 173.123 174.900 0.062 0.000 1.365 298 G CA -0.392 44.744 45.100 0.060 0.000 0.987 298 G HN 1.143 nan 8.290 nan 0.000 0.495 299 F N 2.081 121.969 119.950 -0.103 0.000 2.403 299 F HA 0.398 4.925 4.527 -0.000 0.000 0.355 299 F C 1.352 177.086 175.800 -0.110 0.000 1.119 299 F CA -1.102 56.807 58.000 -0.152 0.000 1.007 299 F CB 2.092 40.963 39.000 -0.215 0.000 1.194 299 F HN 0.611 nan 8.300 nan 0.000 0.443 300 Q N 4.813 124.280 119.800 -0.556 0.000 2.014 300 Q HA -0.002 4.338 4.340 -0.000 0.000 0.207 300 Q C 1.645 177.234 176.000 -0.685 0.000 0.993 300 Q CA 2.487 57.998 55.803 -0.486 0.000 0.850 300 Q CB -0.411 28.144 28.738 -0.306 0.000 0.916 300 Q HN 1.132 nan 8.270 nan 0.000 0.417 301 G N 0.195 108.263 108.800 -1.220 0.000 2.889 301 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.308 301 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.308 301 G C -0.413 174.374 174.900 -0.188 0.000 1.248 301 G CA 0.445 45.110 45.100 -0.725 0.000 0.982 301 G HN 0.536 nan 8.290 nan 0.000 0.571 302 Q N 0.875 120.613 119.800 -0.104 0.000 2.392 302 Q HA 0.410 4.750 4.340 -0.000 0.000 0.262 302 Q C 1.415 177.258 176.000 -0.261 0.000 1.003 302 Q CA -0.344 55.402 55.803 -0.095 0.000 0.888 302 Q CB 0.847 29.552 28.738 -0.056 0.000 1.260 302 Q HN 0.473 nan 8.270 nan 0.000 0.435 303 R N 1.051 121.314 120.500 -0.395 0.000 2.175 303 R HA -0.004 4.336 4.340 -0.000 0.000 0.202 303 R C 1.672 177.937 176.300 -0.058 0.000 1.018 303 R CA 0.840 56.828 56.100 -0.187 0.000 1.029 303 R CB -0.052 30.185 30.300 -0.104 0.000 0.959 303 R HN 0.762 nan 8.270 nan 0.000 0.480 304 H N -0.991 118.093 119.070 0.024 0.000 2.390 304 H HA -0.200 4.356 4.556 -0.000 0.000 0.298 304 H C 1.775 177.146 175.328 0.071 0.000 1.106 304 H CA 1.365 57.432 56.048 0.033 0.000 1.297 304 H CB -0.012 29.779 29.762 0.049 0.000 1.375 304 H HN 0.314 nan 8.280 nan 0.000 0.509 305 W N 2.404 123.735 121.300 0.051 0.000 2.488 305 W HA -0.129 4.531 4.660 -0.000 0.000 0.304 305 W C 1.991 178.561 176.519 0.086 0.000 1.175 305 W CA 1.823 59.246 57.345 0.130 0.000 1.365 305 W CB -0.329 29.256 29.460 0.208 0.000 1.131 305 W HN 0.207 nan 8.180 nan 0.000 0.520 306 T N -1.151 113.630 114.554 0.378 0.000 2.977 306 T HA -0.191 4.159 4.350 -0.000 0.000 0.271 306 T C 0.978 175.711 174.700 0.055 0.000 1.105 306 T CA 1.575 63.856 62.100 0.302 0.000 1.116 306 T CB -0.553 68.560 68.868 0.409 0.000 0.878 306 T HN -0.118 nan 8.240 nan 0.000 0.509 307 D N 1.579 121.948 120.400 -0.053 0.000 2.363 307 D HA 0.025 4.665 4.640 -0.000 0.000 0.226 307 D C 1.977 178.148 176.300 -0.215 0.000 1.020 307 D CA 0.682 54.604 54.000 -0.130 0.000 0.892 307 D CB 0.075 40.814 40.800 -0.102 0.000 0.900 307 D HN 0.902 nan 8.370 nan 0.000 0.531 308 Q N -2.301 117.295 119.800 -0.341 0.000 2.024 308 Q HA 0.028 4.367 4.340 -0.000 0.000 0.227 308 Q C -0.451 175.267 176.000 -0.470 0.000 0.720 308 Q CA -0.195 55.314 55.803 -0.490 0.000 0.884 308 Q CB 0.631 28.903 28.738 -0.777 0.000 1.212 308 Q HN 0.038 nan 8.270 nan 0.000 0.450 309 Y N 1.102 121.209 120.300 -0.322 0.000 2.598 309 Y HA 0.650 5.200 4.550 -0.000 0.000 0.340 309 Y C -2.546 173.341 175.900 -0.021 0.000 1.038 309 Y CA -3.282 54.605 58.100 -0.356 0.000 1.100 309 Y CB 0.388 38.230 38.460 -1.030 0.000 1.281 309 Y HN -0.142 nan 8.280 nan 0.000 0.488 310 P HA 0.000 nan 4.420 nan 0.000 0.265 310 P C -0.470 177.138 177.300 0.514 0.000 1.193 310 P CA -0.011 63.286 63.100 0.328 0.000 0.765 310 P CB 0.348 32.203 31.700 0.259 0.000 0.823 311 N N 1.578 120.495 118.700 0.362 0.000 2.288 311 N HA 0.074 4.814 4.740 -0.000 0.000 0.237 311 N C 1.139 176.804 175.510 0.258 0.000 1.311 311 N CA 0.030 53.294 53.050 0.357 0.000 0.909 311 N CB -0.525 37.994 38.487 0.053 0.000 1.167 311 N HN 0.393 nan 8.380 nan 0.000 0.476 312 G N -1.544 107.403 108.800 0.245 0.000 3.233 312 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.227 312 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.227 312 G C 0.425 175.330 174.900 0.008 0.000 1.175 312 G CA -0.211 44.941 45.100 0.087 0.000 0.781 312 G HN 0.558 nan 8.290 nan 0.000 0.542 313 D N 1.045 121.435 120.400 -0.017 0.000 2.106 313 D HA -0.133 4.507 4.640 -0.000 0.000 0.191 313 D C 2.521 178.890 176.300 0.116 0.000 0.997 313 D CA 1.648 55.631 54.000 -0.028 0.000 0.834 313 D CB -0.316 40.449 40.800 -0.058 0.000 0.956 313 D HN 0.204 nan 8.370 nan 0.000 0.448 314 T N 0.533 115.215 114.554 0.214 0.000 2.737 314 T HA -0.067 4.283 4.350 -0.000 0.000 0.265 314 T C 2.020 176.836 174.700 0.194 0.000 1.038 314 T CA 1.530 63.818 62.100 0.313 0.000 1.144 314 T CB -0.364 68.667 68.868 0.272 0.000 0.866 314 T HN 0.215 nan 8.240 nan 0.000 0.434 315 A N 1.686 124.548 122.820 0.069 0.000 1.883 315 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 315 A C 2.200 179.763 177.584 -0.036 0.000 1.186 315 A CA 1.798 53.823 52.037 -0.020 0.000 0.624 315 A CB -0.607 18.288 19.000 -0.175 0.000 0.822 315 A HN 0.580 nan 8.150 nan 0.000 0.444 316 E N -0.318 119.854 120.200 -0.047 0.000 2.051 316 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 316 E C 2.344 178.941 176.600 -0.005 0.000 0.991 316 E CA 0.995 57.360 56.400 -0.059 0.000 0.799 316 E CB -0.309 29.328 29.700 -0.105 0.000 0.748 316 E HN 0.615 nan 8.360 nan 0.000 0.449 317 A N 1.320 124.179 122.820 0.065 0.000 1.902 317 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 317 A C 2.142 179.800 177.584 0.123 0.000 1.181 317 A CA 1.097 53.206 52.037 0.120 0.000 0.623 317 A CB -0.405 18.733 19.000 0.230 0.000 0.818 317 A HN 0.104 nan 8.150 nan 0.000 0.443 318 I N -0.026 120.645 120.570 0.169 0.000 2.163 318 I HA -0.197 3.973 4.170 -0.000 0.000 0.240 318 I C 2.535 178.629 176.117 -0.038 0.000 1.081 318 I CA 1.182 62.549 61.300 0.111 0.000 1.353 318 I CB -1.510 36.605 38.000 0.191 0.000 1.054 318 I HN 0.283 nan 8.210 nan 0.000 0.407 319 L N 0.604 121.806 121.223 -0.036 0.000 2.079 319 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 319 L C 2.052 178.950 176.870 0.046 0.000 1.081 319 L CA 1.276 56.101 54.840 -0.024 0.000 0.752 319 L CB -0.660 41.321 42.059 -0.130 0.000 0.896 319 L HN 0.348 nan 8.230 nan 0.000 0.433 320 N N -0.656 118.037 118.700 -0.012 0.000 2.494 320 N HA -0.006 4.734 4.740 -0.000 0.000 0.182 320 N C 0.656 176.102 175.510 -0.107 0.000 1.076 320 N CA 0.228 53.259 53.050 -0.032 0.000 0.908 320 N CB 0.208 38.693 38.487 -0.004 0.000 0.967 320 N HN 0.177 nan 8.380 nan 0.000 0.449 321 S N -0.320 115.268 115.700 -0.185 0.000 2.632 321 S HA 0.197 4.667 4.470 -0.000 0.000 0.267 321 S C 1.050 175.387 174.600 -0.439 0.000 1.276 321 S CA -0.489 57.471 58.200 -0.399 0.000 0.998 321 S CB 1.390 64.186 63.200 -0.672 0.000 0.953 321 S HN 0.079 nan 8.310 nan 0.000 0.547 322 S N 1.012 116.415 115.700 -0.496 0.000 2.710 322 S HA 0.311 4.781 4.470 -0.000 0.000 0.224 322 S C -0.386 174.176 174.600 -0.063 0.000 0.948 322 S CA -0.174 57.909 58.200 -0.194 0.000 0.949 322 S CB -0.835 62.397 63.200 0.053 0.000 0.778 322 S HN 0.573 nan 8.310 nan 0.000 0.498 323 F N -0.580 119.340 119.950 -0.049 0.000 2.770 323 F HA 0.734 5.261 4.527 -0.000 0.000 0.313 323 F C -1.221 174.477 175.800 -0.170 0.000 1.154 323 F CA -1.508 56.441 58.000 -0.086 0.000 0.923 323 F CB 0.623 39.632 39.000 0.015 0.000 1.301 323 F HN 0.041 nan 8.300 nan 0.000 0.449 324 D N -0.402 119.894 120.400 -0.174 0.000 3.145 324 D HA 0.181 4.821 4.640 -0.000 0.000 0.345 324 D C 0.223 175.802 176.300 -1.202 0.000 1.391 324 D CA -0.492 53.031 54.000 -0.795 0.000 0.930 324 D CB -0.163 39.879 40.800 -1.263 0.000 1.451 324 D HN 0.735 nan 8.370 nan 0.000 0.555 325 W N -0.121 120.215 121.300 -1.606 0.000 2.359 325 W HA 0.088 4.748 4.660 -0.000 0.000 0.275 325 W C 0.608 176.802 176.519 -0.542 0.000 1.217 325 W CA 0.825 57.343 57.345 -1.379 0.000 1.196 325 W CB -0.919 28.051 29.460 -0.816 0.000 1.129 325 W HN 0.091 nan 8.180 nan 0.000 0.566 326 N N 0.819 119.180 118.700 -0.564 0.000 2.268 326 N HA 0.288 5.028 4.740 -0.000 0.000 0.204 326 N C 0.937 176.347 175.510 -0.167 0.000 1.124 326 N CA 1.253 54.153 53.050 -0.251 0.000 0.838 326 N CB 0.272 38.603 38.487 -0.260 0.000 0.994 326 N HN 0.356 nan 8.380 nan 0.000 0.489 327 G N 0.280 108.983 108.800 -0.162 0.000 2.582 327 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.222 327 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.222 327 G C -0.394 174.510 174.900 0.007 0.000 1.311 327 G CA -0.377 44.702 45.100 -0.036 0.000 0.915 327 G HN 0.318 nan 8.290 nan 0.000 0.528 328 V N -0.634 119.321 119.914 0.068 0.000 2.732 328 V HA 0.940 5.060 4.120 -0.000 0.000 0.297 328 V C 0.372 176.497 176.094 0.052 0.000 1.060 328 V CA 0.707 63.082 62.300 0.124 0.000 1.038 328 V CB 1.042 32.961 31.823 0.160 0.000 1.003 328 V HN 1.819 nan 8.190 nan 0.000 0.481 329 R N 1.790 122.283 120.500 -0.012 0.000 2.762 329 R HA 0.528 4.868 4.340 -0.000 0.000 0.271 329 R C -0.746 175.296 176.300 -0.430 0.000 1.038 329 R CA -0.870 55.130 56.100 -0.167 0.000 0.906 329 R CB 1.155 31.333 30.300 -0.204 0.000 1.259 329 R HN 0.776 nan 8.270 nan 0.000 0.457 330 E N 2.594 122.319 120.200 -0.793 0.000 2.376 330 E HA 0.169 4.519 4.350 -0.000 0.000 0.266 330 E C -1.804 174.429 176.600 -0.612 0.000 1.009 330 E CA -1.883 53.973 56.400 -0.907 0.000 0.902 330 E CB 0.764 30.053 29.700 -0.685 0.000 0.972 330 E HN 0.310 nan 8.360 nan 0.000 0.439 331 P HA 0.026 nan 4.420 nan 0.000 0.272 331 P C -0.834 176.135 177.300 -0.553 0.000 1.223 331 P CA 0.144 62.997 63.100 -0.410 0.000 0.784 331 P CB 0.429 31.956 31.700 -0.288 0.000 0.923 332 F N -0.009 119.786 119.950 -0.257 0.000 2.375 332 F HA 0.319 4.846 4.527 -0.000 0.000 0.317 332 F C 0.741 176.427 175.800 -0.190 0.000 1.124 332 F CA -0.482 57.395 58.000 -0.205 0.000 1.050 332 F CB 0.770 39.678 39.000 -0.153 0.000 1.314 332 F HN -0.043 nan 8.300 nan 0.000 0.511 333 V N 2.494 122.472 119.914 0.106 0.000 2.304 333 V HA 0.386 4.506 4.120 -0.000 0.000 0.278 333 V C -0.881 175.276 176.094 0.104 0.000 1.018 333 V CA -0.577 61.772 62.300 0.083 0.000 0.814 333 V CB 1.067 32.957 31.823 0.111 0.000 1.021 333 V HN 0.447 nan 8.190 nan 0.000 0.440 334 V N 4.259 124.221 119.914 0.081 0.000 2.409 334 V HA 0.688 4.808 4.120 -0.000 0.000 0.290 334 V C 0.452 176.592 176.094 0.075 0.000 1.017 334 V CA -0.668 61.658 62.300 0.042 0.000 0.841 334 V CB 1.783 33.583 31.823 -0.038 0.000 1.003 334 V HN 0.864 nan 8.190 nan 0.000 0.426 335 A N 3.357 126.268 122.820 0.152 0.000 2.366 335 A HA 0.629 4.948 4.320 -0.000 0.000 0.272 335 A C 0.628 178.185 177.584 -0.046 0.000 1.135 335 A CA 0.055 52.224 52.037 0.219 0.000 0.804 335 A CB 0.637 19.903 19.000 0.443 0.000 1.064 335 A HN 0.944 nan 8.150 nan 0.000 0.499 336 T N 0.825 115.031 114.554 -0.579 0.000 2.898 336 T HA 0.326 4.676 4.350 -0.000 0.000 0.301 336 T C 0.424 174.966 174.700 -0.264 0.000 1.049 336 T CA 0.659 62.427 62.100 -0.554 0.000 1.095 336 T CB 0.072 68.413 68.868 -0.879 0.000 0.976 336 T HN 0.858 nan 8.240 nan 0.000 0.539 337 E N 1.015 121.126 120.200 -0.148 0.000 2.971 337 E HA -0.277 4.073 4.350 -0.000 0.000 0.278 337 E C 0.336 176.953 176.600 0.028 0.000 1.009 337 E CA 0.638 57.009 56.400 -0.048 0.000 0.862 337 E CB -1.633 28.110 29.700 0.073 0.000 1.436 337 E HN 0.911 nan 8.360 nan 0.000 0.434 338 N N 0.659 119.381 118.700 0.037 0.000 2.696 338 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 338 N C -0.927 174.714 175.510 0.218 0.000 1.090 338 N CA 1.382 54.511 53.050 0.131 0.000 0.716 338 N CB -0.561 37.966 38.487 0.067 0.000 1.020 338 N HN 0.421 nan 8.380 nan 0.000 0.548 339 D N -0.209 120.363 120.400 0.286 0.000 2.498 339 D HA 0.160 4.800 4.640 -0.000 0.000 0.229 339 D C 1.313 177.783 176.300 0.284 0.000 1.188 339 D CA 0.652 54.834 54.000 0.303 0.000 1.028 339 D CB -0.121 40.971 40.800 0.487 0.000 1.087 339 D HN 0.404 nan 8.370 nan 0.000 0.510 340 S N 2.989 118.813 115.700 0.207 0.000 2.402 340 S HA -0.207 4.263 4.470 -0.000 0.000 0.233 340 S C 2.103 176.778 174.600 0.125 0.000 1.030 340 S CA 0.595 58.860 58.200 0.108 0.000 1.003 340 S CB -0.342 62.775 63.200 -0.139 0.000 0.813 340 S HN 0.552 nan 8.310 nan 0.000 0.477 341 L N 1.060 122.318 121.223 0.058 0.000 2.093 341 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 341 L C 2.683 179.563 176.870 0.017 0.000 1.085 341 L CA 1.399 56.222 54.840 -0.028 0.000 0.755 341 L CB -0.743 41.233 42.059 -0.138 0.000 0.904 341 L HN 0.325 nan 8.230 nan 0.000 0.435 342 N N 0.286 119.019 118.700 0.055 0.000 2.270 342 N HA -0.088 4.652 4.740 -0.000 0.000 0.181 342 N C 1.840 177.414 175.510 0.107 0.000 1.016 342 N CA 1.143 54.187 53.050 -0.010 0.000 0.870 342 N CB -0.147 38.213 38.487 -0.212 0.000 0.979 342 N HN 0.224 nan 8.380 nan 0.000 0.431 343 G N -0.225 108.717 108.800 0.236 0.000 2.422 343 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 343 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 343 G C 1.551 176.619 174.900 0.280 0.000 1.146 343 G CA 0.883 46.177 45.100 0.323 0.000 0.769 343 G HN 0.200 nan 8.290 nan 0.000 0.547 344 V N 1.461 121.514 119.914 0.232 0.000 2.358 344 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 344 V C 3.313 179.518 176.094 0.184 0.000 1.047 344 V CA 1.955 64.374 62.300 0.199 0.000 1.035 344 V CB -0.771 31.131 31.823 0.132 0.000 0.658 344 V HN 0.470 nan 8.190 nan 0.000 0.452 345 A N -0.558 122.351 122.820 0.148 0.000 1.902 345 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 345 A C 2.235 179.959 177.584 0.234 0.000 1.181 345 A CA 2.227 54.370 52.037 0.176 0.000 0.623 345 A CB -0.476 18.562 19.000 0.064 0.000 0.818 345 A HN 0.503 nan 8.150 nan 0.000 0.443 346 M N -0.871 118.842 119.600 0.188 0.000 2.117 346 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 346 M C 2.244 178.684 176.300 0.235 0.000 1.065 346 M CA 1.311 56.732 55.300 0.201 0.000 1.114 346 M CB -0.387 32.324 32.600 0.185 0.000 1.361 346 M HN 0.452 nan 8.290 nan 0.000 0.408 347 L N 0.087 121.450 121.223 0.233 0.000 1.989 347 L HA -0.274 4.066 4.340 -0.000 0.000 0.211 347 L C 2.493 179.475 176.870 0.186 0.000 1.071 347 L CA 1.759 56.737 54.840 0.229 0.000 0.749 347 L CB -0.243 41.952 42.059 0.225 0.000 0.890 347 L HN 0.397 nan 8.230 nan 0.000 0.431 348 M N -0.975 118.727 119.600 0.170 0.000 2.065 348 M HA -0.189 4.291 4.480 -0.000 0.000 0.259 348 M C 2.163 178.451 176.300 -0.021 0.000 1.069 348 M CA 2.074 57.413 55.300 0.065 0.000 1.110 348 M CB -0.969 31.721 32.600 0.149 0.000 1.328 348 M HN 0.376 nan 8.290 nan 0.000 0.405 349 G N -1.237 107.677 108.800 0.190 0.000 2.440 349 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 349 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 349 G C 1.214 176.199 174.900 0.142 0.000 1.154 349 G CA 1.587 46.820 45.100 0.222 0.000 0.767 349 G HN 0.484 nan 8.290 nan 0.000 0.552 350 H N 0.162 119.282 119.070 0.083 0.000 2.357 350 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 350 H C 2.628 177.984 175.328 0.046 0.000 1.082 350 H CA 1.701 57.789 56.048 0.065 0.000 1.342 350 H CB 0.003 29.807 29.762 0.071 0.000 1.389 350 H HN 0.198 nan 8.280 nan 0.000 0.511 351 Q N 0.014 119.758 119.800 -0.094 0.000 2.224 351 Q HA -0.062 4.278 4.340 -0.000 0.000 0.203 351 Q C 2.518 178.427 176.000 -0.152 0.000 0.970 351 Q CA 0.918 56.632 55.803 -0.148 0.000 0.865 351 Q CB 0.006 28.710 28.738 -0.057 0.000 0.922 351 Q HN 0.523 nan 8.270 nan 0.000 0.445 352 L N -0.126 121.002 121.223 -0.158 0.000 2.209 352 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 352 L C 2.179 178.986 176.870 -0.106 0.000 1.094 352 L CA 1.600 56.334 54.840 -0.176 0.000 0.790 352 L CB -0.136 41.742 42.059 -0.302 0.000 0.932 352 L HN 0.270 nan 8.230 nan 0.000 0.447 353 T N -5.668 108.845 114.554 -0.068 0.000 2.969 353 T HA 0.254 4.604 4.350 -0.000 0.000 0.250 353 T C 1.466 176.154 174.700 -0.021 0.000 1.021 353 T CA 0.528 62.615 62.100 -0.023 0.000 1.003 353 T CB 0.924 69.800 68.868 0.013 0.000 1.040 353 T HN 0.319 nan 8.240 nan 0.000 0.492 354 G N 1.874 110.628 108.800 -0.076 0.000 2.184 354 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 354 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 354 G C 0.324 175.262 174.900 0.062 0.000 0.975 354 G CA 0.753 45.817 45.100 -0.059 0.000 0.642 354 G HN 1.208 nan 8.290 nan 0.000 0.536 355 T N -1.854 112.768 114.554 0.114 0.000 2.897 355 T HA 0.827 5.177 4.350 -0.000 0.000 0.278 355 T C 0.653 175.478 174.700 0.209 0.000 0.981 355 T CA 0.428 62.597 62.100 0.115 0.000 0.973 355 T CB 1.946 70.838 68.868 0.040 0.000 1.092 355 T HN 1.704 nan 8.240 nan 0.000 0.543 356 A N 1.358 124.228 122.820 0.084 0.000 2.371 356 A HA 0.543 4.863 4.320 -0.000 0.000 0.257 356 A C 0.182 177.815 177.584 0.082 0.000 1.089 356 A CA -0.647 51.406 52.037 0.025 0.000 0.794 356 A CB 0.085 19.072 19.000 -0.022 0.000 1.029 356 A HN 0.758 nan 8.150 nan 0.000 0.488 357 Q N 0.638 120.479 119.800 0.069 0.000 2.309 357 Q HA 0.484 4.824 4.340 -0.000 0.000 0.264 357 Q C -1.057 174.998 176.000 0.093 0.000 1.008 357 Q CA -0.665 55.202 55.803 0.107 0.000 0.853 357 Q CB 1.912 30.726 28.738 0.127 0.000 1.314 357 Q HN 0.412 nan 8.270 nan 0.000 0.448 358 V N 3.249 123.209 119.914 0.076 0.000 2.350 358 V HA 0.268 4.388 4.120 -0.000 0.000 0.276 358 V C -0.319 175.796 176.094 0.035 0.000 1.028 358 V CA -0.628 61.705 62.300 0.055 0.000 0.860 358 V CB 0.395 32.212 31.823 -0.009 0.000 0.990 358 V HN 0.596 nan 8.190 nan 0.000 0.453 359 F N 4.659 124.555 119.950 -0.090 0.000 2.412 359 F HA 0.688 5.215 4.527 -0.000 0.000 0.348 359 F C 0.393 176.068 175.800 -0.208 0.000 1.102 359 F CA -0.256 57.660 58.000 -0.141 0.000 1.196 359 F CB 0.889 39.799 39.000 -0.151 0.000 1.144 359 F HN 0.580 nan 8.300 nan 0.000 0.541 360 A N 4.401 127.145 122.820 -0.127 0.000 2.549 360 A HA 0.503 4.823 4.320 -0.000 0.000 0.297 360 A C -1.701 175.805 177.584 -0.130 0.000 1.061 360 A CA -0.863 51.102 52.037 -0.120 0.000 0.690 360 A CB 1.109 19.981 19.000 -0.213 0.000 1.287 360 A HN 0.670 nan 8.150 nan 0.000 0.402 361 D N 0.466 120.828 120.400 -0.063 0.000 2.198 361 D HA 0.443 5.083 4.640 -0.000 0.000 0.245 361 D C -0.350 175.922 176.300 -0.045 0.000 1.079 361 D CA 0.006 54.042 54.000 0.060 0.000 0.854 361 D CB 1.713 42.554 40.800 0.068 0.000 1.148 361 D HN 0.185 nan 8.370 nan 0.000 0.456 362 V N 4.513 124.410 119.914 -0.029 0.000 2.287 362 V HA 0.098 4.218 4.120 -0.000 0.000 0.246 362 V C 1.610 177.689 176.094 -0.025 0.000 1.165 362 V CA 0.120 62.361 62.300 -0.098 0.000 1.088 362 V CB 0.184 31.909 31.823 -0.163 0.000 1.242 362 V HN 0.552 nan 8.190 nan 0.000 0.497 363 R N 2.591 123.071 120.500 -0.032 0.000 2.062 363 R HA 0.038 4.378 4.340 -0.000 0.000 0.226 363 R C 0.268 176.599 176.300 0.050 0.000 1.125 363 R CA 1.134 57.235 56.100 0.001 0.000 0.966 363 R CB 0.363 30.630 30.300 -0.055 0.000 0.861 363 R HN 0.635 nan 8.270 nan 0.000 0.433 364 T N -0.672 113.956 114.554 0.124 0.000 2.916 364 T HA 0.224 4.574 4.350 -0.000 0.000 0.305 364 T C -1.864 172.942 174.700 0.178 0.000 1.119 364 T CA -0.548 61.607 62.100 0.091 0.000 1.008 364 T CB 1.763 70.649 68.868 0.031 0.000 1.129 364 T HN 0.129 nan 8.240 nan 0.000 0.480 365 Y N 1.109 121.386 120.300 -0.039 0.000 2.331 365 Y HA 0.604 5.154 4.550 -0.000 0.000 0.338 365 Y C -1.742 174.140 175.900 -0.030 0.000 0.976 365 Y CA -2.017 56.124 58.100 0.069 0.000 1.137 365 Y CB 0.766 39.275 38.460 0.081 0.000 1.172 365 Y HN 0.713 nan 8.280 nan 0.000 0.478 366 W N 6.258 127.274 121.300 -0.473 0.000 2.278 366 W HA 0.465 5.125 4.660 -0.000 0.000 0.317 366 W C -0.017 176.070 176.519 -0.720 0.000 1.030 366 W CA -0.662 56.408 57.345 -0.458 0.000 1.334 366 W CB 1.264 30.646 29.460 -0.129 0.000 1.215 366 W HN 0.703 nan 8.180 nan 0.000 0.405 367 S N 3.662 118.998 115.700 -0.606 0.000 2.592 367 S HA 0.265 4.735 4.470 -0.000 0.000 0.271 367 S C -1.224 173.382 174.600 0.010 0.000 1.326 367 S CA -1.112 56.936 58.200 -0.253 0.000 1.024 367 S CB 1.460 64.636 63.200 -0.041 0.000 0.921 367 S HN 0.340 nan 8.310 nan 0.000 0.527 368 P HA -0.143 nan 4.420 nan 0.000 0.216 368 P C 0.868 178.195 177.300 0.045 0.000 1.150 368 P CA 1.372 64.501 63.100 0.049 0.000 0.843 368 P CB 0.013 31.742 31.700 0.048 0.000 0.787 369 E N 0.394 120.625 120.200 0.053 0.000 2.077 369 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 369 E C 2.329 178.968 176.600 0.065 0.000 0.989 369 E CA 1.624 58.052 56.400 0.047 0.000 0.800 369 E CB -1.249 28.477 29.700 0.043 0.000 0.746 369 E HN 0.210 nan 8.360 nan 0.000 0.452 370 A N 0.978 123.851 122.820 0.088 0.000 1.902 370 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 370 A C 2.126 179.858 177.584 0.248 0.000 1.181 370 A CA 1.122 53.259 52.037 0.167 0.000 0.623 370 A CB -0.504 18.586 19.000 0.150 0.000 0.818 370 A HN 0.134 nan 8.150 nan 0.000 0.443 371 I N -0.076 120.605 120.570 0.185 0.000 2.163 371 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 371 I C 2.477 178.589 176.117 -0.008 0.000 1.085 371 I CA 2.032 63.340 61.300 0.013 0.000 1.347 371 I CB -1.371 36.581 38.000 -0.079 0.000 1.044 371 I HN 0.578 nan 8.210 nan 0.000 0.408 372 E N 0.948 121.159 120.200 0.019 0.000 2.077 372 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 372 E C 2.441 179.058 176.600 0.028 0.000 0.989 372 E CA 1.023 57.434 56.400 0.018 0.000 0.800 372 E CB -0.011 29.697 29.700 0.014 0.000 0.746 372 E HN 0.281 nan 8.360 nan 0.000 0.452 373 R N 0.373 120.900 120.500 0.046 0.000 2.073 373 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 373 R C 2.462 178.791 176.300 0.049 0.000 1.134 373 R CA 1.871 57.999 56.100 0.048 0.000 0.952 373 R CB -0.257 30.079 30.300 0.060 0.000 0.850 373 R HN 0.289 nan 8.270 nan 0.000 0.433 374 V N -1.798 118.156 119.914 0.066 0.000 2.788 374 V HA 0.002 4.122 4.120 -0.000 0.000 0.251 374 V C 1.711 177.795 176.094 -0.017 0.000 1.068 374 V CA 1.810 64.138 62.300 0.047 0.000 1.090 374 V CB 0.034 31.923 31.823 0.110 0.000 0.710 374 V HN 0.551 nan 8.190 nan 0.000 0.467 375 T N -4.769 109.759 114.554 -0.044 0.000 2.959 375 T HA 0.488 4.838 4.350 -0.000 0.000 0.254 375 T C 1.752 176.483 174.700 0.051 0.000 1.003 375 T CA 1.040 63.101 62.100 -0.065 0.000 0.950 375 T CB 0.683 69.430 68.868 -0.201 0.000 1.090 375 T HN 1.492 nan 8.240 nan 0.000 0.503 376 G N 1.419 110.254 108.800 0.060 0.000 2.284 376 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.247 376 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.247 376 G C -0.143 174.811 174.900 0.091 0.000 1.012 376 G CA 0.213 45.360 45.100 0.079 0.000 0.618 376 G HN 0.748 nan 8.290 nan 0.000 0.521 377 H N 1.485 120.507 119.070 -0.080 0.000 2.690 377 H HA 0.522 5.078 4.556 -0.000 0.000 0.314 377 H C 0.496 175.774 175.328 -0.085 0.000 1.069 377 H CA 0.240 56.237 56.048 -0.086 0.000 1.436 377 H CB 0.983 30.678 29.762 -0.110 0.000 1.462 377 H HN 0.508 nan 8.280 nan 0.000 0.511 378 K N 3.207 123.600 120.400 -0.011 0.000 2.284 378 K HA 0.301 4.621 4.320 -0.000 0.000 0.287 378 K C -0.820 175.761 176.600 -0.032 0.000 1.081 378 K CA -0.500 55.770 56.287 -0.028 0.000 0.910 378 K CB 0.311 32.783 32.500 -0.047 0.000 1.088 378 K HN 0.187 nan 8.250 nan 0.000 0.478 379 L N 3.251 124.450 121.223 -0.040 0.000 2.395 379 L HA 0.351 4.691 4.340 -0.000 0.000 0.269 379 L C -0.168 176.659 176.870 -0.072 0.000 1.133 379 L CA 0.342 55.148 54.840 -0.057 0.000 0.812 379 L CB 0.729 42.739 42.059 -0.082 0.000 1.125 379 L HN 0.914 nan 8.230 nan 0.000 0.452 380 D N -0.227 120.129 120.400 -0.075 0.000 2.781 380 D HA 0.816 5.456 4.640 -0.000 0.000 0.295 380 D C 0.202 176.451 176.300 -0.085 0.000 1.143 380 D CA -0.161 53.786 54.000 -0.088 0.000 1.076 380 D CB 0.434 41.189 40.800 -0.075 0.000 1.444 380 D HN 0.754 nan 8.370 nan 0.000 0.567 381 G N -0.917 107.829 108.800 -0.090 0.000 2.525 381 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.248 381 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.248 381 G C 0.397 175.242 174.900 -0.092 0.000 1.238 381 G CA -0.058 44.987 45.100 -0.092 0.000 0.926 381 G HN 0.489 nan 8.290 nan 0.000 0.574 382 L N 0.547 121.709 121.223 -0.101 0.000 2.127 382 L HA 0.036 4.376 4.340 -0.000 0.000 0.211 382 L C 3.399 180.283 176.870 0.023 0.000 1.089 382 L CA 3.074 57.870 54.840 -0.074 0.000 0.757 382 L CB -1.985 40.018 42.059 -0.094 0.000 0.899 382 L HN 1.170 nan 8.230 nan 0.000 0.434 383 A N -0.889 121.932 122.820 0.002 0.000 2.238 383 A HA -0.103 4.217 4.320 -0.000 0.000 0.208 383 A C 2.165 179.744 177.584 -0.008 0.000 1.177 383 A CA 0.459 52.508 52.037 0.021 0.000 0.804 383 A CB -0.538 18.446 19.000 -0.026 0.000 0.823 383 A HN 0.477 nan 8.150 nan 0.000 0.482 384 E N -0.178 119.975 120.200 -0.077 0.000 2.130 384 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 384 E C 0.925 177.378 176.600 -0.245 0.000 0.998 384 E CA 1.630 57.905 56.400 -0.209 0.000 0.806 384 E CB -0.158 29.334 29.700 -0.348 0.000 0.738 384 E HN 0.865 nan 8.360 nan 0.000 0.459 385 H N -1.314 117.809 119.070 0.088 0.000 2.529 385 H HA 0.371 4.927 4.556 -0.000 0.000 0.277 385 H C 0.318 175.767 175.328 0.201 0.000 1.004 385 H CA 0.128 56.255 56.048 0.131 0.000 1.167 385 H CB 1.253 31.096 29.762 0.134 0.000 1.445 385 H HN 0.295 nan 8.280 nan 0.000 0.554 386 G N 0.060 109.016 108.800 0.261 0.000 2.381 386 G HA2 0.006 3.965 3.960 -0.000 0.000 0.672 386 G HA3 0.006 3.965 3.960 -0.000 0.000 0.672 386 G C -1.559 173.523 174.900 0.303 0.000 1.324 386 G CA -0.652 44.627 45.100 0.298 0.000 0.975 386 G HN 0.166 nan 8.290 nan 0.000 0.593 387 I N -0.462 120.307 120.570 0.332 0.000 2.913 387 I HA 0.660 4.830 4.170 -0.000 0.000 0.302 387 I C -0.807 175.623 176.117 0.522 0.000 1.246 387 I CA -1.395 60.133 61.300 0.380 0.000 1.010 387 I CB 2.175 40.339 38.000 0.272 0.000 1.259 387 I HN 0.563 nan 8.210 nan 0.000 0.434 388 I N 4.555 125.448 120.570 0.539 0.000 2.433 388 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 388 I C -0.398 176.034 176.117 0.524 0.000 1.001 388 I CA -0.567 61.039 61.300 0.510 0.000 1.119 388 I CB 1.609 39.840 38.000 0.384 0.000 1.289 388 I HN 0.489 nan 8.210 nan 0.000 0.438 389 H N 7.200 126.477 119.070 0.346 0.000 2.705 389 H HA 0.433 4.989 4.556 -0.000 0.000 0.291 389 H C -1.105 174.183 175.328 -0.067 0.000 1.085 389 H CA -0.719 55.371 56.048 0.071 0.000 1.357 389 H CB 0.712 30.572 29.762 0.163 0.000 1.419 389 H HN 0.425 nan 8.280 nan 0.000 0.462 390 L N 8.201 129.399 121.223 -0.041 0.000 2.280 390 L HA 0.383 4.723 4.340 -0.000 0.000 0.287 390 L C -0.639 176.063 176.870 -0.280 0.000 1.023 390 L CA -0.566 54.159 54.840 -0.192 0.000 0.819 390 L CB 1.019 42.946 42.059 -0.220 0.000 1.212 390 L HN 0.589 nan 8.230 nan 0.000 0.420 391 I N 1.068 121.450 120.570 -0.313 0.000 2.529 391 I HA 0.337 4.507 4.170 -0.000 0.000 0.284 391 I C -0.521 175.476 176.117 -0.200 0.000 1.088 391 I CA -0.690 60.448 61.300 -0.270 0.000 1.062 391 I CB 1.667 39.497 38.000 -0.284 0.000 1.218 391 I HN 0.405 nan 8.210 nan 0.000 0.442 392 N N 3.183 121.741 118.700 -0.235 0.000 2.503 392 N HA 0.130 4.870 4.740 -0.000 0.000 0.267 392 N C 0.713 175.838 175.510 -0.643 0.000 1.214 392 N CA -0.146 52.727 53.050 -0.295 0.000 0.959 392 N CB 1.197 39.548 38.487 -0.227 0.000 1.142 392 N HN 0.656 nan 8.380 nan 0.000 0.455 393 S N 1.016 116.196 115.700 -0.867 0.000 3.613 393 S HA 0.293 4.763 4.470 -0.000 0.000 0.220 393 S C 1.138 174.712 174.600 -1.711 0.000 1.261 393 S CA 0.055 57.179 58.200 -1.793 0.000 1.143 393 S CB -1.118 61.463 63.200 -1.031 0.000 1.315 393 S HN 0.898 nan 8.310 nan 0.000 0.450 394 G N 0.030 107.933 108.800 -1.495 0.000 2.380 394 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.197 394 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.197 394 G C 0.063 174.720 174.900 -0.404 0.000 1.001 394 G CA -0.116 44.504 45.100 -0.800 0.000 0.668 394 G HN 1.507 nan 8.290 nan 0.000 0.483 395 S N -0.558 114.906 115.700 -0.393 0.000 2.595 395 S HA 1.029 5.499 4.470 -0.000 0.000 0.281 395 S C -0.475 174.006 174.600 -0.199 0.000 1.117 395 S CA 0.338 58.400 58.200 -0.231 0.000 0.873 395 S CB 2.653 65.749 63.200 -0.174 0.000 1.108 395 S HN 2.210 nan 8.310 nan 0.000 0.477 396 A N 0.477 123.259 122.820 -0.064 0.000 2.585 396 A HA 0.777 5.097 4.320 -0.000 0.000 0.299 396 A C -0.314 177.384 177.584 0.190 0.000 1.047 396 A CA -0.423 51.650 52.037 0.059 0.000 0.723 396 A CB 0.255 19.279 19.000 0.039 0.000 1.275 396 A HN 2.162 nan 8.150 nan 0.000 0.408 397 A N 1.482 124.383 122.820 0.136 0.000 2.548 397 A HA 0.429 4.749 4.320 -0.000 0.000 0.247 397 A C 1.158 178.763 177.584 0.036 0.000 1.067 397 A CA 0.232 52.300 52.037 0.051 0.000 0.757 397 A CB -0.467 18.535 19.000 0.003 0.000 0.996 397 A HN 1.269 nan 8.150 nan 0.000 0.504 398 L N 1.589 122.794 121.223 -0.030 0.000 2.261 398 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 398 L C 1.404 178.137 176.870 -0.229 0.000 1.114 398 L CA 1.509 56.278 54.840 -0.118 0.000 0.777 398 L CB -0.683 41.446 42.059 0.116 0.000 0.910 398 L HN 0.702 nan 8.230 nan 0.000 0.440 399 D N 0.617 120.955 120.400 -0.103 0.000 2.221 399 D HA -0.138 4.502 4.640 -0.000 0.000 0.204 399 D C 2.183 178.402 176.300 -0.135 0.000 0.982 399 D CA 1.219 55.200 54.000 -0.031 0.000 0.857 399 D CB -0.310 40.498 40.800 0.014 0.000 0.934 399 D HN 0.331 nan 8.370 nan 0.000 0.475 400 G N 0.434 109.094 108.800 -0.234 0.000 2.527 400 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 400 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 400 G C 1.606 176.273 174.900 -0.388 0.000 1.117 400 G CA 1.205 46.198 45.100 -0.177 0.000 0.759 400 G HN 0.425 nan 8.290 nan 0.000 0.556 401 S N -1.056 114.160 115.700 -0.808 0.000 2.447 401 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 401 S C 1.305 175.832 174.600 -0.121 0.000 1.006 401 S CA 0.652 58.541 58.200 -0.517 0.000 0.957 401 S CB -0.549 62.348 63.200 -0.505 0.000 0.773 401 S HN 0.721 nan 8.310 nan 0.000 0.507 402 C N 1.605 120.862 119.300 -0.073 0.000 4.545 402 C HA -0.080 4.380 4.460 -0.000 0.000 0.300 402 C C 1.398 176.380 174.990 -0.014 0.000 1.337 402 C CA 0.608 59.629 59.018 0.005 0.000 2.032 402 C CB -2.271 25.517 27.740 0.079 0.000 1.236 402 C HN 0.521 nan 8.230 nan 0.000 0.774 403 K N -0.152 120.225 120.400 -0.038 0.000 2.400 403 K HA 0.080 4.400 4.320 -0.000 0.000 0.194 403 K C 1.111 177.694 176.600 -0.029 0.000 1.033 403 K CA 0.604 56.871 56.287 -0.033 0.000 1.021 403 K CB 0.148 32.620 32.500 -0.046 0.000 0.808 403 K HN 0.749 nan 8.250 nan 0.000 0.505 404 Q N 0.746 120.531 119.800 -0.026 0.000 2.417 404 Q HA 0.158 4.498 4.340 -0.000 0.000 0.241 404 Q C -0.087 175.895 176.000 -0.030 0.000 1.008 404 Q CA 0.093 55.879 55.803 -0.028 0.000 0.901 404 Q CB 0.766 29.491 28.738 -0.023 0.000 1.259 404 Q HN -0.145 nan 8.270 nan 0.000 0.489 405 R N 1.352 121.833 120.500 -0.033 0.000 2.744 405 R HA 0.274 4.613 4.340 -0.000 0.000 0.279 405 R C -0.954 175.324 176.300 -0.037 0.000 0.977 405 R CA -0.743 55.337 56.100 -0.032 0.000 0.906 405 R CB 1.316 31.601 30.300 -0.026 0.000 1.197 405 R HN 0.775 nan 8.270 nan 0.000 0.463 406 D N -0.134 120.244 120.400 -0.037 0.000 2.511 406 D HA 0.162 4.802 4.640 -0.000 0.000 0.276 406 D C 0.589 176.872 176.300 -0.029 0.000 1.220 406 D CA -0.576 53.401 54.000 -0.038 0.000 1.077 406 D CB 0.186 40.960 40.800 -0.043 0.000 1.126 406 D HN 0.227 nan 8.370 nan 0.000 0.583 407 S N -0.611 115.074 115.700 -0.026 0.000 2.365 407 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 407 S C 1.399 175.988 174.600 -0.018 0.000 1.039 407 S CA 1.348 59.536 58.200 -0.019 0.000 1.033 407 S CB -0.498 62.692 63.200 -0.017 0.000 0.887 407 S HN 0.578 nan 8.310 nan 0.000 0.447 408 E N 0.360 120.548 120.200 -0.020 0.000 2.516 408 E HA 0.136 4.486 4.350 -0.000 0.000 0.199 408 E C 1.294 177.883 176.600 -0.018 0.000 1.069 408 E CA 0.291 56.680 56.400 -0.018 0.000 0.876 408 E CB -0.217 29.472 29.700 -0.019 0.000 0.843 408 E HN 0.630 nan 8.360 nan 0.000 0.530 409 G N 1.717 110.505 108.800 -0.019 0.000 2.157 409 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 409 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 409 G C 0.036 174.925 174.900 -0.018 0.000 0.979 409 G CA -0.156 44.934 45.100 -0.018 0.000 0.650 409 G HN 0.190 nan 8.290 nan 0.000 0.529 410 N N 1.855 120.542 118.700 -0.022 0.000 2.530 410 N HA 0.386 5.126 4.740 -0.000 0.000 0.277 410 N C -2.482 173.013 175.510 -0.025 0.000 1.168 410 N CA -1.023 52.014 53.050 -0.021 0.000 0.979 410 N CB 1.213 39.684 38.487 -0.025 0.000 1.141 410 N HN 0.182 nan 8.380 nan 0.000 0.459 411 P HA 0.073 nan 4.420 nan 0.000 0.271 411 P C -0.195 177.083 177.300 -0.037 0.000 1.216 411 P CA 0.242 63.333 63.100 -0.015 0.000 0.771 411 P CB 1.009 32.714 31.700 0.009 0.000 0.864 412 T N 1.932 116.459 114.554 -0.044 0.000 2.665 412 T HA 0.617 4.967 4.350 -0.000 0.000 0.303 412 T C -1.520 173.149 174.700 -0.052 0.000 1.334 412 T CA -0.613 61.442 62.100 -0.075 0.000 1.011 412 T CB 0.815 69.635 68.868 -0.081 0.000 1.573 412 T HN 0.271 nan 8.240 nan 0.000 0.492 413 M N 2.141 121.704 119.600 -0.062 0.000 2.259 413 M HA 0.530 5.010 4.480 -0.000 0.000 0.304 413 M C -0.863 175.398 176.300 -0.065 0.000 1.019 413 M CA -0.663 54.621 55.300 -0.027 0.000 0.922 413 M CB 2.263 34.880 32.600 0.029 0.000 1.600 413 M HN 0.371 nan 8.290 nan 0.000 0.433 414 K N 2.175 122.524 120.400 -0.085 0.000 2.350 414 K HA 0.708 5.027 4.320 -0.000 0.000 0.241 414 K C -2.748 173.692 176.600 -0.267 0.000 0.994 414 K CA -1.969 54.216 56.287 -0.169 0.000 0.839 414 K CB 1.445 33.842 32.500 -0.172 0.000 1.244 414 K HN 0.220 nan 8.250 nan 0.000 0.443 415 P HA -0.023 nan 4.420 nan 0.000 0.269 415 P C -0.148 176.668 177.300 -0.806 0.000 1.209 415 P CA 0.115 62.656 63.100 -0.931 0.000 0.776 415 P CB 0.269 30.798 31.700 -1.952 0.000 0.876 416 H N 1.134 119.900 119.070 -0.506 0.000 2.457 416 H HA -0.186 4.370 4.556 -0.000 0.000 0.297 416 H C 1.297 176.569 175.328 -0.093 0.000 1.092 416 H CA 1.272 57.210 56.048 -0.183 0.000 1.309 416 H CB -1.126 28.625 29.762 -0.018 0.000 1.382 416 H HN 0.581 nan 8.280 nan 0.000 0.535 417 W N 1.211 122.239 121.300 -0.454 0.000 2.825 417 W HA 0.164 4.824 4.660 -0.000 0.000 0.243 417 W C 0.708 177.162 176.519 -0.108 0.000 1.293 417 W CA 0.314 57.505 57.345 -0.258 0.000 1.403 417 W CB 0.041 29.309 29.460 -0.321 0.000 1.134 417 W HN 0.195 nan 8.180 nan 0.000 0.666 418 E N 0.556 120.581 120.200 -0.292 0.000 2.538 418 E HA 0.207 4.557 4.350 -0.000 0.000 0.207 418 E C 0.083 176.623 176.600 -0.099 0.000 1.002 418 E CA -0.212 56.099 56.400 -0.148 0.000 0.952 418 E CB 0.281 29.843 29.700 -0.230 0.000 1.031 418 E HN 0.242 nan 8.360 nan 0.000 0.476 419 I N 2.111 122.638 120.570 -0.071 0.000 2.331 419 I HA 0.104 4.274 4.170 -0.000 0.000 0.292 419 I C 0.502 176.621 176.117 0.004 0.000 0.998 419 I CA -0.565 60.721 61.300 -0.022 0.000 1.267 419 I CB 1.381 39.398 38.000 0.028 0.000 1.386 419 I HN -0.025 nan 8.210 nan 0.000 0.476 420 S N 3.978 119.671 115.700 -0.012 0.000 2.646 420 S HA 0.194 4.664 4.470 -0.000 0.000 0.276 420 S C 0.587 175.169 174.600 -0.030 0.000 1.222 420 S CA -0.635 57.559 58.200 -0.010 0.000 1.014 420 S CB 1.934 65.126 63.200 -0.014 0.000 0.991 420 S HN 0.624 nan 8.310 nan 0.000 0.533 421 Q N 0.733 120.521 119.800 -0.020 0.000 2.181 421 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 421 Q C 2.024 177.986 176.000 -0.064 0.000 0.980 421 Q CA 1.908 57.690 55.803 -0.035 0.000 0.862 421 Q CB -0.530 28.208 28.738 0.000 0.000 0.905 421 Q HN 0.878 nan 8.270 nan 0.000 0.429 422 Q N -0.443 119.329 119.800 -0.048 0.000 2.119 422 Q HA -0.147 4.193 4.340 -0.000 0.000 0.201 422 Q C 1.933 177.884 176.000 -0.082 0.000 0.972 422 Q CA 1.442 57.214 55.803 -0.051 0.000 0.847 422 Q CB -0.044 28.675 28.738 -0.032 0.000 0.903 422 Q HN 0.518 nan 8.270 nan 0.000 0.433 423 E N 0.829 120.975 120.200 -0.089 0.000 2.106 423 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 423 E C 2.039 178.518 176.600 -0.203 0.000 0.984 423 E CA 0.803 57.142 56.400 -0.103 0.000 0.806 423 E CB -0.113 29.547 29.700 -0.067 0.000 0.750 423 E HN 0.351 nan 8.360 nan 0.000 0.458 424 A N 2.024 124.650 122.820 -0.323 0.000 1.865 424 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 424 A C 1.752 178.941 177.584 -0.657 0.000 1.191 424 A CA 1.924 53.458 52.037 -0.840 0.000 0.623 424 A CB -0.495 18.029 19.000 -0.794 0.000 0.826 424 A HN 0.111 nan 8.150 nan 0.000 0.444 425 D N 0.137 120.356 120.400 -0.303 0.000 2.144 425 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 425 D C 2.168 178.402 176.300 -0.111 0.000 0.984 425 D CA 1.475 55.388 54.000 -0.144 0.000 0.834 425 D CB -0.496 40.267 40.800 -0.063 0.000 0.955 425 D HN 0.451 nan 8.370 nan 0.000 0.465 426 A N 0.442 123.194 122.820 -0.113 0.000 1.933 426 A HA -0.181 4.138 4.320 -0.000 0.000 0.218 426 A C 2.530 180.075 177.584 -0.065 0.000 1.175 426 A CA 1.189 53.182 52.037 -0.072 0.000 0.628 426 A CB -0.872 18.090 19.000 -0.063 0.000 0.814 426 A HN 0.337 nan 8.150 nan 0.000 0.444 427 C N -1.191 118.058 119.300 -0.086 0.000 2.446 427 C HA 0.011 4.471 4.460 -0.000 0.000 0.277 427 C C 2.545 177.552 174.990 0.029 0.000 1.275 427 C CA 0.853 59.858 59.018 -0.021 0.000 1.727 427 C CB -1.382 26.421 27.740 0.105 0.000 2.010 427 C HN 0.662 nan 8.230 nan 0.000 0.486 428 L N 0.824 122.077 121.223 0.050 0.000 2.083 428 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 428 L C 2.741 179.628 176.870 0.029 0.000 1.083 428 L CA 1.616 56.525 54.840 0.115 0.000 0.752 428 L CB -0.490 41.645 42.059 0.126 0.000 0.899 428 L HN 0.359 nan 8.230 nan 0.000 0.433 429 A N -0.650 122.168 122.820 -0.004 0.000 2.015 429 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 429 A C 2.207 179.780 177.584 -0.018 0.000 1.163 429 A CA 1.334 53.365 52.037 -0.011 0.000 0.646 429 A CB -0.464 18.527 19.000 -0.015 0.000 0.806 429 A HN 0.451 nan 8.150 nan 0.000 0.448 430 A N -0.981 121.825 122.820 -0.024 0.000 2.238 430 A HA 0.313 4.633 4.320 -0.000 0.000 0.208 430 A C 0.894 178.468 177.584 -0.016 0.000 1.177 430 A CA 0.798 52.824 52.037 -0.018 0.000 0.804 430 A CB -0.303 18.680 19.000 -0.028 0.000 0.823 430 A HN 0.297 nan 8.150 nan 0.000 0.482 431 T N 0.960 115.471 114.554 -0.072 0.000 2.824 431 T HA 0.485 4.835 4.350 -0.000 0.000 0.280 431 T C -0.628 173.872 174.700 -0.333 0.000 0.995 431 T CA -0.374 61.606 62.100 -0.199 0.000 1.009 431 T CB 1.503 70.168 68.868 -0.339 0.000 0.955 431 T HN 0.384 nan 8.240 nan 0.000 0.452 432 E N 1.396 121.365 120.200 -0.386 0.000 2.210 432 E HA 0.259 4.609 4.350 -0.000 0.000 0.266 432 E C -1.217 175.110 176.600 -0.455 0.000 0.883 432 E CA -0.670 55.552 56.400 -0.298 0.000 0.761 432 E CB 1.589 31.235 29.700 -0.090 0.000 1.156 432 E HN 0.560 nan 8.360 nan 0.000 0.412 433 W N 3.052 124.234 121.300 -0.196 0.000 2.342 433 W HA 0.293 4.953 4.660 -0.000 0.000 0.310 433 W C -0.432 176.211 176.519 0.207 0.000 1.128 433 W CA -0.510 56.775 57.345 -0.099 0.000 1.322 433 W CB 0.625 29.837 29.460 -0.413 0.000 1.251 433 W HN 0.347 nan 8.180 nan 0.000 0.439 434 C N 5.242 124.778 119.300 0.393 0.000 2.358 434 C HA 0.480 4.940 4.460 -0.000 0.000 0.342 434 C C -1.796 173.448 174.990 0.422 0.000 1.234 434 C CA -1.868 57.382 59.018 0.386 0.000 1.969 434 C CB 1.008 28.873 27.740 0.207 0.000 2.346 434 C HN 0.359 nan 8.230 nan 0.000 0.525 435 P HA 0.189 nan 4.420 nan 0.000 0.268 435 P C -0.371 176.984 177.300 0.091 0.000 1.205 435 P CA 0.418 63.557 63.100 0.065 0.000 0.771 435 P CB 0.437 32.189 31.700 0.086 0.000 0.858 436 A N 4.065 126.903 122.820 0.030 0.000 2.462 436 A HA 0.168 4.488 4.320 -0.000 0.000 0.243 436 A C 0.371 178.102 177.584 0.246 0.000 1.076 436 A CA -0.276 51.837 52.037 0.128 0.000 0.773 436 A CB -0.562 18.464 19.000 0.044 0.000 1.010 436 A HN 0.520 nan 8.150 nan 0.000 0.493 437 I N 2.837 123.624 120.570 0.361 0.000 2.483 437 I HA -0.037 4.133 4.170 -0.000 0.000 0.291 437 I C 1.547 177.872 176.117 0.346 0.000 1.112 437 I CA 0.204 61.706 61.300 0.338 0.000 1.350 437 I CB -0.033 38.181 38.000 0.356 0.000 1.419 437 I HN 1.021 nan 8.210 nan 0.000 0.523 438 H N 5.037 124.176 119.070 0.116 0.000 2.325 438 H HA -0.274 4.282 4.556 -0.000 0.000 0.293 438 H C 1.712 176.946 175.328 -0.157 0.000 1.106 438 H CA 2.492 58.523 56.048 -0.028 0.000 1.247 438 H CB 0.310 29.972 29.762 -0.166 0.000 1.359 438 H HN 0.610 nan 8.280 nan 0.000 0.488 439 E N -1.074 118.985 120.200 -0.236 0.000 2.209 439 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 439 E C 1.526 177.807 176.600 -0.531 0.000 0.993 439 E CA 1.525 57.674 56.400 -0.418 0.000 0.819 439 E CB -0.143 29.316 29.700 -0.402 0.000 0.745 439 E HN 0.673 nan 8.360 nan 0.000 0.477 440 Y N -1.949 118.203 120.300 -0.246 0.000 2.441 440 Y HA 0.196 4.746 4.550 -0.000 0.000 0.288 440 Y C 0.300 175.748 175.900 -0.754 0.000 1.118 440 Y CA 0.170 57.983 58.100 -0.479 0.000 1.215 440 Y CB 0.535 38.701 38.460 -0.490 0.000 1.118 440 Y HN -0.114 nan 8.280 nan 0.000 0.547 441 F N 0.197 120.187 119.950 0.066 0.000 2.453 441 F HA 0.403 4.930 4.527 -0.000 0.000 0.358 441 F C 0.865 176.577 175.800 -0.148 0.000 1.129 441 F CA -1.031 56.977 58.000 0.014 0.000 1.200 441 F CB 0.633 39.696 39.000 0.105 0.000 1.431 441 F HN -0.196 nan 8.300 nan 0.000 0.503 442 R N 0.734 121.109 120.500 -0.209 0.000 2.159 442 R HA -0.093 4.247 4.340 -0.000 0.000 0.237 442 R C 2.110 178.329 176.300 -0.136 0.000 1.131 442 R CA 1.195 57.018 56.100 -0.461 0.000 0.982 442 R CB -0.194 29.869 30.300 -0.395 0.000 0.868 442 R HN 0.751 nan 8.270 nan 0.000 0.453 443 G N 0.088 108.893 108.800 0.008 0.000 2.920 443 G HA2 0.290 4.250 3.960 -0.000 0.000 0.208 443 G HA3 0.290 4.250 3.960 -0.000 0.000 0.208 443 G C 0.568 175.547 174.900 0.131 0.000 1.159 443 G CA 0.297 45.441 45.100 0.073 0.000 0.784 443 G HN 0.562 nan 8.290 nan 0.000 0.535 444 G N -1.515 107.375 108.800 0.150 0.000 2.725 444 G HA2 0.458 4.418 3.960 -0.000 0.000 0.220 444 G HA3 0.458 4.418 3.960 -0.000 0.000 0.220 444 G C 0.214 175.152 174.900 0.063 0.000 1.357 444 G CA -0.105 45.061 45.100 0.109 0.000 0.866 444 G HN 2.021 nan 8.290 nan 0.000 0.548 445 G N -2.866 105.880 108.800 -0.091 0.000 2.368 445 G HA2 0.590 4.550 3.960 -0.000 0.000 0.302 445 G HA3 0.590 4.550 3.960 -0.000 0.000 0.302 445 G C -1.780 172.969 174.900 -0.251 0.000 1.329 445 G CA 0.043 45.090 45.100 -0.087 0.000 0.935 445 G HN 1.640 nan 8.290 nan 0.000 0.590 446 Y N 0.633 121.051 120.300 0.196 0.000 2.329 446 Y HA 0.638 5.188 4.550 -0.000 0.000 0.328 446 Y C 0.613 176.699 175.900 0.309 0.000 0.992 446 Y CA -0.665 57.616 58.100 0.301 0.000 1.151 446 Y CB 2.326 41.036 38.460 0.417 0.000 1.150 446 Y HN 0.571 nan 8.280 nan 0.000 0.450 447 S N 1.491 117.403 115.700 0.353 0.000 2.584 447 S HA 0.347 4.817 4.470 -0.000 0.000 0.273 447 S C -0.159 174.450 174.600 0.014 0.000 1.311 447 S CA -0.909 57.388 58.200 0.162 0.000 1.034 447 S CB 0.665 63.978 63.200 0.188 0.000 0.939 447 S HN 0.608 nan 8.310 nan 0.000 0.513 448 S N 2.498 118.055 115.700 -0.239 0.000 2.415 448 S HA 0.389 4.859 4.470 -0.000 0.000 0.313 448 S C -0.319 174.001 174.600 -0.468 0.000 1.067 448 S CA -0.920 56.874 58.200 -0.677 0.000 1.099 448 S CB 0.261 63.085 63.200 -0.627 0.000 0.991 448 S HN 0.679 nan 8.310 nan 0.000 0.491 449 R N 3.012 123.269 120.500 -0.405 0.000 2.294 449 R HA 0.654 4.994 4.340 -0.000 0.000 0.319 449 R C -1.183 175.010 176.300 -0.179 0.000 0.984 449 R CA -0.641 55.287 56.100 -0.287 0.000 0.861 449 R CB 0.505 30.729 30.300 -0.125 0.000 1.104 449 R HN 0.731 nan 8.270 nan 0.000 0.451 450 F N 1.870 121.752 119.950 -0.113 0.000 2.741 450 F HA 0.482 5.009 4.527 -0.000 0.000 0.313 450 F C -2.169 173.613 175.800 -0.030 0.000 1.153 450 F CA -1.358 56.591 58.000 -0.084 0.000 0.931 450 F CB 1.219 40.157 39.000 -0.104 0.000 1.335 450 F HN 0.283 nan 8.300 nan 0.000 0.460 451 L N 2.229 123.654 121.223 0.336 0.000 2.343 451 L HA 0.494 4.834 4.340 -0.000 0.000 0.278 451 L C -0.651 176.378 176.870 0.265 0.000 0.996 451 L CA -0.443 54.522 54.840 0.208 0.000 0.831 451 L CB 1.935 44.021 42.059 0.045 0.000 1.232 451 L HN 0.912 nan 8.230 nan 0.000 0.413 452 T N 3.857 118.588 114.554 0.295 0.000 2.888 452 T HA 0.073 4.423 4.350 -0.000 0.000 0.301 452 T C 0.135 174.957 174.700 0.203 0.000 1.001 452 T CA -0.205 62.049 62.100 0.256 0.000 1.147 452 T CB 0.344 69.375 68.868 0.271 0.000 0.931 452 T HN 0.476 nan 8.240 nan 0.000 0.541 453 E N 1.705 122.005 120.200 0.166 0.000 2.415 453 E HA 0.198 4.548 4.350 -0.000 0.000 0.262 453 E C 0.902 177.611 176.600 0.182 0.000 1.038 453 E CA -0.150 56.330 56.400 0.133 0.000 0.921 453 E CB 0.641 30.396 29.700 0.091 0.000 0.950 453 E HN 0.741 nan 8.360 nan 0.000 0.438 454 G N -0.028 108.860 108.800 0.146 0.000 2.599 454 G HA2 0.373 4.333 3.960 -0.000 0.000 0.264 454 G HA3 0.373 4.333 3.960 -0.000 0.000 0.264 454 G C 0.796 175.782 174.900 0.143 0.000 1.200 454 G CA -0.019 45.181 45.100 0.166 0.000 0.896 454 G HN 0.680 nan 8.290 nan 0.000 0.536 455 G N -2.131 106.765 108.800 0.160 0.000 2.155 455 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.257 455 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.257 455 G C 0.218 175.224 174.900 0.178 0.000 0.983 455 G CA 0.419 45.593 45.100 0.124 0.000 0.676 455 G HN 1.223 nan 8.290 nan 0.000 0.528 456 V N 2.474 122.520 119.914 0.220 0.000 2.439 456 V HA 0.486 4.606 4.120 -0.000 0.000 0.282 456 V C -1.370 174.771 176.094 0.079 0.000 1.039 456 V CA -1.626 60.718 62.300 0.074 0.000 0.913 456 V CB 1.663 33.461 31.823 -0.042 0.000 0.983 456 V HN 0.215 nan 8.190 nan 0.000 0.460 457 P HA 0.345 nan 4.420 nan 0.000 0.276 457 P C -1.205 175.924 177.300 -0.286 0.000 1.243 457 P CA 0.037 62.959 63.100 -0.297 0.000 0.768 457 P CB 0.600 31.910 31.700 -0.650 0.000 0.856 458 F N 0.624 120.667 119.950 0.154 0.000 2.603 458 F HA 0.434 4.961 4.527 -0.000 0.000 0.317 458 F C 0.424 176.374 175.800 0.250 0.000 1.066 458 F CA -0.300 57.834 58.000 0.224 0.000 0.941 458 F CB 2.224 41.388 39.000 0.273 0.000 1.291 458 F HN 0.064 nan 8.300 nan 0.000 0.472 459 T N 3.124 117.917 114.554 0.399 0.000 2.815 459 T HA 0.409 4.758 4.350 -0.000 0.000 0.289 459 T C -0.663 174.058 174.700 0.036 0.000 1.000 459 T CA -0.449 61.764 62.100 0.188 0.000 0.958 459 T CB 0.937 69.901 68.868 0.160 0.000 0.944 459 T HN 0.541 nan 8.240 nan 0.000 0.442 460 M N 4.372 123.928 119.600 -0.074 0.000 2.157 460 M HA 0.523 5.003 4.480 -0.000 0.000 0.354 460 M C -0.067 176.214 176.300 -0.031 0.000 1.170 460 M CA -0.164 54.997 55.300 -0.232 0.000 1.060 460 M CB 0.644 32.873 32.600 -0.618 0.000 1.615 460 M HN 0.762 nan 8.290 nan 0.000 0.460 461 T N 1.793 116.330 114.554 -0.029 0.000 2.887 461 T HA 0.894 5.244 4.350 -0.000 0.000 0.292 461 T C -1.040 173.756 174.700 0.159 0.000 1.087 461 T CA -0.987 61.112 62.100 -0.001 0.000 1.009 461 T CB 2.000 70.564 68.868 -0.506 0.000 1.203 461 T HN 0.787 nan 8.240 nan 0.000 0.518 462 R N 0.147 120.623 120.500 -0.040 0.000 2.633 462 R HA 0.593 4.933 4.340 -0.000 0.000 0.255 462 R C -2.393 173.762 176.300 -0.241 0.000 1.106 462 R CA -0.560 55.458 56.100 -0.136 0.000 0.959 462 R CB 1.375 31.508 30.300 -0.278 0.000 1.259 462 R HN 0.711 nan 8.270 nan 0.000 0.453 463 V N 5.008 124.806 119.914 -0.194 0.000 2.459 463 V HA 0.639 4.759 4.120 -0.000 0.000 0.295 463 V C -0.561 175.352 176.094 -0.301 0.000 1.029 463 V CA -0.749 61.413 62.300 -0.230 0.000 0.874 463 V CB 1.835 33.553 31.823 -0.175 0.000 0.985 463 V HN 0.761 nan 8.190 nan 0.000 0.438 464 N N 3.745 122.239 118.700 -0.345 0.000 2.262 464 N HA 0.609 5.349 4.740 -0.000 0.000 0.295 464 N C -1.138 174.133 175.510 -0.398 0.000 1.161 464 N CA -0.506 52.339 53.050 -0.342 0.000 0.767 464 N CB 2.897 41.202 38.487 -0.303 0.000 1.499 464 N HN 0.462 nan 8.380 nan 0.000 0.476 465 I N 2.042 122.381 120.570 -0.385 0.000 2.339 465 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 465 I C -0.351 175.614 176.117 -0.254 0.000 0.994 465 I CA -0.609 60.449 61.300 -0.403 0.000 1.191 465 I CB 1.112 38.844 38.000 -0.448 0.000 1.343 465 I HN 0.204 nan 8.210 nan 0.000 0.458 466 I N 6.641 127.084 120.570 -0.212 0.000 2.330 466 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 466 I C 0.325 176.385 176.117 -0.095 0.000 1.001 466 I CA -0.738 60.483 61.300 -0.132 0.000 1.193 466 I CB 1.187 39.129 38.000 -0.098 0.000 1.345 466 I HN 0.582 nan 8.210 nan 0.000 0.461 467 K N 4.262 124.618 120.400 -0.073 0.000 2.451 467 K HA 0.252 4.572 4.320 -0.000 0.000 0.280 467 K C 1.144 177.733 176.600 -0.018 0.000 1.020 467 K CA 1.157 57.420 56.287 -0.040 0.000 1.008 467 K CB 0.373 32.855 32.500 -0.030 0.000 0.917 467 K HN 0.925 nan 8.250 nan 0.000 0.478 468 G N 3.139 111.942 108.800 0.005 0.000 2.199 468 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 468 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 468 G C 0.394 175.315 174.900 0.034 0.000 0.982 468 G CA 0.299 45.411 45.100 0.020 0.000 0.632 468 G HN 0.597 nan 8.290 nan 0.000 0.529 469 L N -0.865 120.375 121.223 0.027 0.000 2.678 469 L HA 0.559 4.899 4.340 -0.000 0.000 0.211 469 L C 1.471 178.370 176.870 0.049 0.000 1.043 469 L CA 1.590 56.461 54.840 0.051 0.000 0.881 469 L CB 0.562 42.646 42.059 0.041 0.000 1.361 469 L HN 1.410 nan 8.230 nan 0.000 0.484 470 G N 0.577 109.354 108.800 -0.039 0.000 2.384 470 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.204 470 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.204 470 G C -2.882 171.820 174.900 -0.329 0.000 1.237 470 G CA -0.407 44.598 45.100 -0.158 0.000 1.060 470 G HN 0.078 nan 8.290 nan 0.000 0.514 471 P HA 0.532 nan 4.420 nan 0.000 0.277 471 P C -0.096 177.017 177.300 -0.313 0.000 1.240 471 P CA 0.300 63.055 63.100 -0.574 0.000 0.798 471 P CB 1.572 32.777 31.700 -0.824 0.000 0.979 472 V N -0.018 119.732 119.914 -0.273 0.000 3.049 472 V HA 0.679 4.799 4.120 -0.000 0.000 0.309 472 V C -1.103 174.882 176.094 -0.182 0.000 1.148 472 V CA -1.204 60.988 62.300 -0.180 0.000 0.990 472 V CB 1.915 33.662 31.823 -0.125 0.000 1.039 472 V HN 0.407 nan 8.190 nan 0.000 0.430 473 L N 2.369 123.517 121.223 -0.125 0.000 2.346 473 L HA 0.696 5.036 4.340 -0.000 0.000 0.276 473 L C -0.310 176.487 176.870 -0.122 0.000 1.006 473 L CA 0.055 54.826 54.840 -0.114 0.000 0.817 473 L CB 1.952 43.995 42.059 -0.026 0.000 1.272 473 L HN 0.918 nan 8.230 nan 0.000 0.421 474 Q N 5.398 125.068 119.800 -0.216 0.000 2.337 474 Q HA 0.690 5.030 4.340 -0.000 0.000 0.266 474 Q C -1.386 174.585 176.000 -0.049 0.000 1.023 474 Q CA -0.591 55.073 55.803 -0.232 0.000 0.829 474 Q CB 2.844 31.132 28.738 -0.750 0.000 1.306 474 Q HN 0.601 nan 8.270 nan 0.000 0.449 475 I N 0.861 121.528 120.570 0.162 0.000 2.686 475 I HA 0.711 4.881 4.170 -0.000 0.000 0.295 475 I C -1.095 175.251 176.117 0.383 0.000 1.114 475 I CA -0.933 60.485 61.300 0.196 0.000 1.038 475 I CB 2.283 40.340 38.000 0.094 0.000 1.238 475 I HN 0.637 nan 8.210 nan 0.000 0.420 476 A N 4.833 127.843 122.820 0.317 0.000 2.530 476 A HA 0.512 4.832 4.320 -0.000 0.000 0.279 476 A C -0.837 176.879 177.584 0.220 0.000 1.109 476 A CA -0.565 51.688 52.037 0.361 0.000 0.763 476 A CB 0.729 20.022 19.000 0.489 0.000 1.257 476 A HN 0.726 nan 8.150 nan 0.000 0.424 477 E N 0.861 121.061 120.200 0.001 0.000 2.343 477 E HA 0.603 4.953 4.350 -0.000 0.000 0.269 477 E C 0.641 177.082 176.600 -0.265 0.000 1.047 477 E CA 0.324 56.596 56.400 -0.214 0.000 0.874 477 E CB 1.683 30.990 29.700 -0.654 0.000 1.033 477 E HN 0.867 nan 8.360 nan 0.000 0.409 478 G N 1.613 110.236 108.800 -0.296 0.000 2.510 478 G HA2 0.338 4.298 3.960 -0.000 0.000 0.277 478 G HA3 0.338 4.298 3.960 -0.000 0.000 0.277 478 G C -1.851 172.722 174.900 -0.544 0.000 1.223 478 G CA -0.733 43.972 45.100 -0.658 0.000 0.887 478 G HN 0.428 nan 8.290 nan 0.000 0.485 479 W N 0.504 121.772 121.300 -0.053 0.000 3.107 479 W HA 0.549 5.209 4.660 -0.000 0.000 0.331 479 W C 0.001 176.656 176.519 0.226 0.000 1.204 479 W CA -0.566 56.886 57.345 0.178 0.000 1.184 479 W CB 1.895 31.413 29.460 0.098 0.000 1.421 479 W HN 0.785 nan 8.180 nan 0.000 0.544 480 S N 0.870 116.954 115.700 0.640 0.000 2.562 480 S HA 0.593 5.063 4.470 -0.000 0.000 0.275 480 S C -0.416 174.420 174.600 0.394 0.000 1.281 480 S CA -0.672 57.855 58.200 0.544 0.000 1.045 480 S CB 1.446 64.990 63.200 0.574 0.000 0.962 480 S HN 0.439 nan 8.310 nan 0.000 0.503 481 V N -0.330 119.793 119.914 0.347 0.000 2.881 481 V HA 0.695 4.815 4.120 -0.000 0.000 0.316 481 V C -0.451 175.759 176.094 0.193 0.000 1.070 481 V CA -0.999 61.434 62.300 0.221 0.000 0.976 481 V CB 1.545 33.459 31.823 0.152 0.000 1.038 481 V HN 1.041 nan 8.190 nan 0.000 0.446 482 E N 2.181 122.431 120.200 0.084 0.000 2.145 482 E HA 0.584 4.933 4.350 -0.000 0.000 0.270 482 E C -1.271 175.292 176.600 -0.063 0.000 0.906 482 E CA -0.686 55.735 56.400 0.035 0.000 0.761 482 E CB 1.541 31.256 29.700 0.025 0.000 1.116 482 E HN 0.795 nan 8.360 nan 0.000 0.408 483 L N 5.695 126.829 121.223 -0.148 0.000 2.343 483 L HA 0.489 4.829 4.340 -0.000 0.000 0.275 483 L C -1.877 174.896 176.870 -0.161 0.000 1.056 483 L CA -2.271 52.424 54.840 -0.241 0.000 0.804 483 L CB 1.085 42.852 42.059 -0.486 0.000 1.203 483 L HN 0.512 nan 8.230 nan 0.000 0.440 484 P HA 0.020 nan 4.420 nan 0.000 0.264 484 P C -0.250 176.980 177.300 -0.116 0.000 1.193 484 P CA -0.424 62.610 63.100 -0.110 0.000 0.763 484 P CB 0.609 32.252 31.700 -0.094 0.000 0.810 485 K N 3.364 123.727 120.400 -0.061 0.000 2.148 485 K HA -0.289 4.031 4.320 -0.000 0.000 0.213 485 K C 1.227 177.806 176.600 -0.036 0.000 1.050 485 K CA 2.541 58.816 56.287 -0.019 0.000 0.932 485 K CB -1.608 30.887 32.500 -0.008 0.000 0.717 485 K HN 0.529 nan 8.250 nan 0.000 0.462 486 D N 0.673 121.010 120.400 -0.106 0.000 2.224 486 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 486 D C 1.817 177.973 176.300 -0.239 0.000 0.965 486 D CA 0.992 54.904 54.000 -0.147 0.000 0.852 486 D CB -0.339 40.376 40.800 -0.142 0.000 0.947 486 D HN 0.176 nan 8.370 nan 0.000 0.494 487 V N 0.906 120.617 119.914 -0.338 0.000 2.379 487 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 487 V C 2.574 178.452 176.094 -0.360 0.000 1.044 487 V CA 1.812 63.864 62.300 -0.414 0.000 1.036 487 V CB -0.903 30.624 31.823 -0.494 0.000 0.664 487 V HN 0.292 nan 8.190 nan 0.000 0.453 488 H N 0.684 119.549 119.070 -0.343 0.000 2.352 488 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 488 H C 2.043 177.312 175.328 -0.099 0.000 1.097 488 H CA 2.209 58.116 56.048 -0.236 0.000 1.311 488 H CB -0.206 29.502 29.762 -0.090 0.000 1.377 488 H HN 0.391 nan 8.280 nan 0.000 0.504 489 D N 0.238 120.519 120.400 -0.198 0.000 2.117 489 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 489 D C 2.273 178.463 176.300 -0.184 0.000 0.987 489 D CA 1.161 55.051 54.000 -0.182 0.000 0.829 489 D CB 0.018 40.779 40.800 -0.066 0.000 0.961 489 D HN 0.386 nan 8.370 nan 0.000 0.460 490 I N 1.231 121.685 120.570 -0.193 0.000 2.142 490 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 490 I C 2.666 178.687 176.117 -0.160 0.000 1.078 490 I CA 0.904 62.107 61.300 -0.161 0.000 1.343 490 I CB -1.278 36.608 38.000 -0.189 0.000 1.046 490 I HN 0.050 nan 8.210 nan 0.000 0.405 491 L N 0.361 121.423 121.223 -0.269 0.000 2.046 491 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 491 L C 2.384 179.244 176.870 -0.016 0.000 1.077 491 L CA 1.717 56.425 54.840 -0.219 0.000 0.747 491 L CB -0.938 40.806 42.059 -0.524 0.000 0.896 491 L HN 0.305 nan 8.230 nan 0.000 0.432 492 N N 1.083 119.702 118.700 -0.135 0.000 2.120 492 N HA -0.221 4.519 4.740 -0.000 0.000 0.188 492 N C 1.807 177.293 175.510 -0.040 0.000 1.024 492 N CA 1.697 54.689 53.050 -0.096 0.000 0.852 492 N CB -0.032 38.233 38.487 -0.371 0.000 1.003 492 N HN 0.401 nan 8.380 nan 0.000 0.424 493 K N -0.157 120.205 120.400 -0.063 0.000 2.097 493 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 493 K C 2.152 178.750 176.600 -0.003 0.000 1.050 493 K CA 0.864 57.130 56.287 -0.035 0.000 0.938 493 K CB -0.248 32.231 32.500 -0.035 0.000 0.718 493 K HN 0.034 nan 8.250 nan 0.000 0.442 494 R N 0.553 121.072 120.500 0.031 0.000 2.237 494 R HA -0.026 4.314 4.340 -0.000 0.000 0.219 494 R C 0.806 177.167 176.300 0.102 0.000 1.080 494 R CA 1.458 57.606 56.100 0.080 0.000 0.995 494 R CB 0.089 30.472 30.300 0.139 0.000 0.875 494 R HN 0.380 nan 8.270 nan 0.000 0.462 495 T N -1.172 113.445 114.554 0.105 0.000 3.587 495 T HA 0.155 4.505 4.350 -0.000 0.000 0.221 495 T C -0.006 174.656 174.700 -0.063 0.000 0.921 495 T CA 0.103 62.262 62.100 0.098 0.000 1.426 495 T CB 0.234 69.263 68.868 0.267 0.000 1.340 495 T HN 0.102 nan 8.240 nan 0.000 0.423 496 N N 0.667 119.301 118.700 -0.110 0.000 2.839 496 N HA 0.196 4.936 4.740 -0.000 0.000 0.230 496 N C 0.673 176.023 175.510 -0.267 0.000 1.388 496 N CA -0.038 52.784 53.050 -0.379 0.000 0.747 496 N CB 1.089 39.123 38.487 -0.755 0.000 1.411 496 N HN 0.239 nan 8.380 nan 0.000 0.556 497 S N -1.333 114.261 115.700 -0.177 0.000 2.440 497 S HA -0.202 4.268 4.470 -0.000 0.000 0.238 497 S C 1.735 176.288 174.600 -0.078 0.000 1.010 497 S CA 1.609 59.755 58.200 -0.089 0.000 0.972 497 S CB -0.500 62.665 63.200 -0.059 0.000 0.774 497 S HN 0.580 nan 8.310 nan 0.000 0.501 498 T N -3.436 111.016 114.554 -0.171 0.000 3.107 498 T HA 0.211 4.561 4.350 -0.000 0.000 0.249 498 T C -0.058 174.712 174.700 0.117 0.000 1.096 498 T CA -0.586 61.479 62.100 -0.059 0.000 1.012 498 T CB -0.320 68.516 68.868 -0.054 0.000 0.977 498 T HN 0.388 nan 8.240 nan 0.000 0.527 499 W N 2.633 123.866 121.300 -0.112 0.000 2.578 499 W HA 0.506 5.166 4.660 -0.000 0.000 0.346 499 W C -2.634 173.718 176.519 -0.279 0.000 1.075 499 W CA -3.483 53.747 57.345 -0.192 0.000 1.233 499 W CB 0.359 29.714 29.460 -0.174 0.000 1.358 499 W HN -0.135 nan 8.180 nan 0.000 0.574 500 P HA 0.070 nan 4.420 nan 0.000 0.271 500 P C -0.227 176.851 177.300 -0.371 0.000 1.220 500 P CA 0.383 63.108 63.100 -0.625 0.000 0.768 500 P CB 1.059 32.069 31.700 -1.149 0.000 0.848 501 T N 2.498 116.897 114.554 -0.259 0.000 2.885 501 T HA 0.547 4.897 4.350 -0.000 0.000 0.285 501 T C -0.412 174.194 174.700 -0.157 0.000 1.019 501 T CA -0.183 61.821 62.100 -0.160 0.000 1.010 501 T CB 1.103 69.943 68.868 -0.046 0.000 1.022 501 T HN 0.298 nan 8.240 nan 0.000 0.466 502 T N 2.237 116.651 114.554 -0.234 0.000 3.143 502 T HA 0.303 4.653 4.350 -0.000 0.000 0.312 502 T C -1.253 173.366 174.700 -0.134 0.000 0.986 502 T CA -0.678 61.354 62.100 -0.113 0.000 1.024 502 T CB 0.466 69.270 68.868 -0.106 0.000 1.030 502 T HN 0.505 nan 8.240 nan 0.000 0.448 503 W N 3.269 124.694 121.300 0.208 0.000 2.331 503 W HA 0.656 5.316 4.660 -0.000 0.000 0.306 503 W C -0.297 176.404 176.519 0.303 0.000 1.162 503 W CA -0.839 56.635 57.345 0.214 0.000 1.232 503 W CB 0.617 30.144 29.460 0.112 0.000 1.235 503 W HN 0.552 nan 8.180 nan 0.000 0.479 504 F N 3.287 123.437 119.950 0.334 0.000 2.482 504 F HA 0.746 5.273 4.527 -0.000 0.000 0.331 504 F C -0.442 175.534 175.800 0.293 0.000 1.115 504 F CA -1.288 56.866 58.000 0.257 0.000 0.955 504 F CB 1.150 40.215 39.000 0.109 0.000 1.136 504 F HN 0.329 nan 8.300 nan 0.000 0.452 505 A N 8.068 130.694 122.820 -0.324 0.000 2.311 505 A HA 0.675 4.995 4.320 -0.000 0.000 0.306 505 A C -2.948 174.358 177.584 -0.463 0.000 1.189 505 A CA -1.697 50.247 52.037 -0.155 0.000 0.791 505 A CB 0.621 19.695 19.000 0.123 0.000 1.172 505 A HN 0.459 nan 8.150 nan 0.000 0.481 506 P HA 0.212 nan 4.420 nan 0.000 0.282 506 P C -0.547 176.810 177.300 0.094 0.000 1.249 506 P CA -0.582 62.426 63.100 -0.154 0.000 0.806 506 P CB 0.983 32.796 31.700 0.188 0.000 0.984 507 R N 3.693 124.204 120.500 0.018 0.000 2.370 507 R HA 0.228 4.568 4.340 -0.000 0.000 0.309 507 R C -0.270 176.100 176.300 0.116 0.000 1.059 507 R CA -0.272 55.917 56.100 0.147 0.000 0.981 507 R CB -0.214 30.058 30.300 -0.047 0.000 0.972 507 R HN 0.518 nan 8.270 nan 0.000 0.437 508 L N 3.638 124.950 121.223 0.150 0.000 2.399 508 L HA 0.237 4.577 4.340 -0.000 0.000 0.266 508 L C 1.564 178.474 176.870 0.066 0.000 1.114 508 L CA -0.271 54.650 54.840 0.134 0.000 0.804 508 L CB 1.704 43.791 42.059 0.047 0.000 1.146 508 L HN 0.828 nan 8.230 nan 0.000 0.451 509 T N -3.636 110.969 114.554 0.084 0.000 2.975 509 T HA 0.238 4.588 4.350 -0.000 0.000 0.257 509 T C 1.152 175.883 174.700 0.052 0.000 1.003 509 T CA 0.397 62.518 62.100 0.035 0.000 0.932 509 T CB 0.773 69.635 68.868 -0.011 0.000 1.087 509 T HN 0.934 nan 8.240 nan 0.000 0.512 510 G N 1.464 110.306 108.800 0.070 0.000 2.199 510 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 510 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 510 G C -0.094 174.842 174.900 0.061 0.000 0.982 510 G CA 0.280 45.410 45.100 0.050 0.000 0.632 510 G HN 0.722 nan 8.290 nan 0.000 0.529 511 K N -0.228 120.223 120.400 0.084 0.000 2.328 511 K HA 0.619 4.939 4.320 -0.000 0.000 0.246 511 K C 1.102 177.766 176.600 0.106 0.000 0.955 511 K CA -0.215 56.118 56.287 0.076 0.000 0.817 511 K CB 1.919 34.455 32.500 0.059 0.000 1.208 511 K HN 1.202 nan 8.250 nan 0.000 0.432 512 G N 2.240 111.079 108.800 0.066 0.000 2.596 512 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.295 512 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.295 512 G C -1.742 173.162 174.900 0.008 0.000 1.240 512 G CA -0.049 45.079 45.100 0.047 0.000 0.985 512 G HN 0.542 nan 8.290 nan 0.000 0.555 513 P HA 0.142 nan 4.420 nan 0.000 0.228 513 P C 0.894 177.924 177.300 -0.450 0.000 1.151 513 P CA 1.024 63.948 63.100 -0.293 0.000 0.770 513 P CB -0.089 31.342 31.700 -0.448 0.000 0.786 514 F N -1.801 118.150 119.950 0.002 0.000 2.925 514 F HA 0.205 4.732 4.527 -0.000 0.000 0.302 514 F C 1.663 177.463 175.800 -0.001 0.000 1.189 514 F CA 0.132 58.135 58.000 0.005 0.000 1.346 514 F CB -0.652 38.348 39.000 -0.000 0.000 0.954 514 F HN -0.217 nan 8.300 nan 0.000 0.506 515 T N -0.480 114.127 114.554 0.088 0.000 2.851 515 T HA -0.033 4.317 4.350 -0.000 0.000 0.262 515 T C 0.183 174.910 174.700 0.046 0.000 1.043 515 T CA 1.353 63.490 62.100 0.062 0.000 1.140 515 T CB -0.207 68.686 68.868 0.041 0.000 0.872 515 T HN 0.415 nan 8.240 nan 0.000 0.446 516 D N -1.545 118.882 120.400 0.044 0.000 2.615 516 D HA 0.349 4.989 4.640 -0.000 0.000 0.267 516 D C 0.668 176.998 176.300 0.051 0.000 1.236 516 D CA -0.774 53.261 54.000 0.058 0.000 0.839 516 D CB 0.785 41.637 40.800 0.086 0.000 1.380 516 D HN -0.188 nan 8.370 nan 0.000 0.433 517 V N -0.282 119.697 119.914 0.109 0.000 2.490 517 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 517 V C 1.896 177.867 176.094 -0.204 0.000 1.061 517 V CA 1.673 64.029 62.300 0.094 0.000 1.064 517 V CB -1.057 30.968 31.823 0.338 0.000 0.670 517 V HN 0.646 nan 8.190 nan 0.000 0.461 518 Y N 1.472 121.431 120.300 -0.568 0.000 2.181 518 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 518 Y C 2.677 178.322 175.900 -0.425 0.000 1.146 518 Y CA 1.932 59.483 58.100 -0.914 0.000 1.164 518 Y CB -0.260 37.814 38.460 -0.643 0.000 0.982 518 Y HN 0.210 nan 8.280 nan 0.000 0.515 519 S N -0.550 115.019 115.700 -0.218 0.000 2.402 519 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 519 S C 2.062 176.465 174.600 -0.329 0.000 1.021 519 S CA 1.258 59.311 58.200 -0.244 0.000 0.974 519 S CB -0.559 62.584 63.200 -0.095 0.000 0.800 519 S HN 0.350 nan 8.310 nan 0.000 0.484 520 V N 1.713 121.439 119.914 -0.313 0.000 2.307 520 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 520 V C 2.288 178.278 176.094 -0.172 0.000 1.045 520 V CA 2.053 64.169 62.300 -0.308 0.000 1.024 520 V CB -0.592 31.122 31.823 -0.181 0.000 0.651 520 V HN 0.466 nan 8.190 nan 0.000 0.449 521 M N 1.139 120.600 119.600 -0.233 0.000 2.067 521 M HA -0.074 4.406 4.480 -0.000 0.000 0.260 521 M C 2.110 178.285 176.300 -0.209 0.000 1.069 521 M CA 2.393 57.579 55.300 -0.190 0.000 1.117 521 M CB -0.680 31.777 32.600 -0.238 0.000 1.334 521 M HN 0.210 nan 8.290 nan 0.000 0.407 522 A N 0.080 122.624 122.820 -0.461 0.000 2.032 522 A HA -0.167 4.153 4.320 -0.000 0.000 0.221 522 A C 1.796 179.256 177.584 -0.207 0.000 1.165 522 A CA 2.011 53.794 52.037 -0.423 0.000 0.645 522 A CB -1.025 17.556 19.000 -0.698 0.000 0.807 522 A HN 0.765 nan 8.150 nan 0.000 0.453 523 N N -1.782 116.820 118.700 -0.163 0.000 2.270 523 N HA 0.008 4.748 4.740 -0.000 0.000 0.198 523 N C -0.246 175.244 175.510 -0.034 0.000 1.117 523 N CA -0.242 52.743 53.050 -0.108 0.000 0.845 523 N CB 0.120 38.519 38.487 -0.146 0.000 0.980 523 N HN 0.683 nan 8.380 nan 0.000 0.486 524 W N 0.965 122.158 121.300 -0.178 0.000 2.216 524 W HA 0.131 4.791 4.660 -0.000 0.000 0.326 524 W C 1.015 177.459 176.519 -0.125 0.000 1.319 524 W CA -0.206 57.056 57.345 -0.139 0.000 1.213 524 W CB 0.990 30.373 29.460 -0.127 0.000 1.171 524 W HN 0.042 nan 8.180 nan 0.000 0.557 525 G N 2.933 111.395 108.800 -0.564 0.000 3.088 525 G HA2 0.372 4.332 3.960 -0.000 0.000 0.212 525 G HA3 0.372 4.332 3.960 -0.000 0.000 0.212 525 G C -0.079 174.660 174.900 -0.268 0.000 1.173 525 G CA 0.561 45.440 45.100 -0.369 0.000 0.779 525 G HN 0.542 nan 8.290 nan 0.000 0.540 526 A N 0.144 122.856 122.820 -0.180 0.000 2.557 526 A HA 0.537 4.857 4.320 -0.000 0.000 0.292 526 A C 0.446 178.071 177.584 0.069 0.000 1.139 526 A CA -0.176 51.810 52.037 -0.086 0.000 0.665 526 A CB 0.311 19.229 19.000 -0.136 0.000 1.285 526 A HN 0.070 nan 8.150 nan 0.000 0.433 527 N N -0.060 118.609 118.700 -0.052 0.000 2.336 527 N HA 0.074 4.814 4.740 -0.000 0.000 0.189 527 N C 0.054 175.614 175.510 0.084 0.000 1.113 527 N CA 0.450 53.491 53.050 -0.016 0.000 0.858 527 N CB -0.120 38.303 38.487 -0.105 0.000 0.970 527 N HN 0.741 nan 8.380 nan 0.000 0.471 528 H N -1.370 117.733 119.070 0.054 0.000 2.670 528 H HA 0.715 5.271 4.556 -0.000 0.000 0.361 528 H C -0.228 175.118 175.328 0.030 0.000 1.169 528 H CA -1.088 54.921 56.048 -0.064 0.000 1.198 528 H CB 2.202 31.832 29.762 -0.219 0.000 1.700 528 H HN 0.200 nan 8.280 nan 0.000 0.542 529 G N 0.201 108.985 108.800 -0.026 0.000 2.684 529 G HA2 0.486 4.446 3.960 -0.000 0.000 0.290 529 G HA3 0.486 4.446 3.960 -0.000 0.000 0.290 529 G C -1.715 173.044 174.900 -0.235 0.000 1.425 529 G CA -0.468 44.621 45.100 -0.018 0.000 0.822 529 G HN 0.456 nan 8.290 nan 0.000 0.482 530 V N 0.434 120.254 119.914 -0.156 0.000 2.604 530 V HA 0.583 4.703 4.120 -0.000 0.000 0.305 530 V C -0.915 175.086 176.094 -0.154 0.000 1.043 530 V CA -0.789 61.417 62.300 -0.156 0.000 0.888 530 V CB 1.689 33.472 31.823 -0.066 0.000 0.995 530 V HN 0.585 nan 8.190 nan 0.000 0.429 531 L N 3.847 124.983 121.223 -0.145 0.000 2.305 531 L HA 0.702 5.042 4.340 -0.000 0.000 0.284 531 L C 0.159 177.085 176.870 0.093 0.000 1.013 531 L CA 0.448 55.199 54.840 -0.149 0.000 0.819 531 L CB 1.894 43.699 42.059 -0.422 0.000 1.227 531 L HN 0.761 nan 8.230 nan 0.000 0.417 532 T N 4.530 119.232 114.554 0.246 0.000 2.829 532 T HA 0.448 4.798 4.350 -0.000 0.000 0.280 532 T C -0.212 174.741 174.700 0.422 0.000 0.999 532 T CA -0.463 61.832 62.100 0.325 0.000 0.983 532 T CB 1.542 70.614 68.868 0.340 0.000 0.968 532 T HN 0.368 nan 8.240 nan 0.000 0.446 533 I N 3.374 124.114 120.570 0.283 0.000 2.710 533 I HA 0.428 4.598 4.170 -0.000 0.000 0.286 533 I C 0.867 176.963 176.117 -0.035 0.000 1.181 533 I CA 1.552 62.840 61.300 -0.020 0.000 1.430 533 I CB -0.707 37.253 38.000 -0.066 0.000 1.367 533 I HN 1.012 nan 8.210 nan 0.000 0.577 534 G N 5.581 114.279 108.800 -0.171 0.000 2.728 534 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.294 534 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.294 534 G C -0.490 174.471 174.900 0.101 0.000 1.342 534 G CA -0.391 44.654 45.100 -0.092 0.000 0.866 534 G HN 0.893 nan 8.290 nan 0.000 0.534 535 H N 0.450 119.502 119.070 -0.029 0.000 2.680 535 H HA 0.355 4.911 4.556 -0.000 0.000 0.260 535 H C 1.215 176.564 175.328 0.035 0.000 1.328 535 H CA -0.044 55.993 56.048 -0.019 0.000 1.269 535 H CB 0.631 30.355 29.762 -0.064 0.000 1.446 535 H HN 0.697 nan 8.280 nan 0.000 0.527 536 V N 0.619 120.659 119.914 0.211 0.000 3.177 536 V HA 0.274 4.394 4.120 -0.000 0.000 0.342 536 V C 1.669 177.938 176.094 0.291 0.000 1.379 536 V CA 0.344 62.771 62.300 0.212 0.000 1.191 536 V CB 0.278 32.239 31.823 0.230 0.000 1.167 536 V HN 0.725 nan 8.190 nan 0.000 0.471 537 G N 1.331 110.248 108.800 0.195 0.000 2.440 537 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 537 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 537 G C 1.624 176.614 174.900 0.150 0.000 1.154 537 G CA 1.216 46.419 45.100 0.171 0.000 0.767 537 G HN 0.846 nan 8.290 nan 0.000 0.552 538 A N 0.948 123.821 122.820 0.088 0.000 1.940 538 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 538 A C 2.081 179.701 177.584 0.061 0.000 1.176 538 A CA 2.128 54.199 52.037 0.058 0.000 0.631 538 A CB -0.359 18.669 19.000 0.047 0.000 0.814 538 A HN 0.344 nan 8.150 nan 0.000 0.446 539 D N -1.245 119.188 120.400 0.054 0.000 2.149 539 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 539 D C 1.607 177.857 176.300 -0.082 0.000 0.972 539 D CA 0.937 54.913 54.000 -0.040 0.000 0.835 539 D CB -0.326 40.411 40.800 -0.105 0.000 0.966 539 D HN 0.474 nan 8.370 nan 0.000 0.476 540 F N 1.347 121.292 119.950 -0.008 0.000 2.134 540 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 540 F C 2.482 178.265 175.800 -0.029 0.000 1.097 540 F CA 0.679 58.675 58.000 -0.007 0.000 1.264 540 F CB -0.330 38.677 39.000 0.011 0.000 1.001 540 F HN -0.109 nan 8.300 nan 0.000 0.479 541 I N -0.855 119.792 120.570 0.127 0.000 2.226 541 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 541 I C 2.226 178.332 176.117 -0.018 0.000 1.100 541 I CA 1.603 62.910 61.300 0.012 0.000 1.374 541 I CB -0.726 37.233 38.000 -0.069 0.000 1.057 541 I HN 0.128 nan 8.210 nan 0.000 0.413 542 T N 1.076 115.630 114.554 -0.001 0.000 2.737 542 T HA -0.143 4.207 4.350 -0.000 0.000 0.265 542 T C 1.842 176.519 174.700 -0.038 0.000 1.038 542 T CA 1.066 63.165 62.100 -0.002 0.000 1.144 542 T CB -0.289 68.590 68.868 0.018 0.000 0.866 542 T HN 0.157 nan 8.240 nan 0.000 0.434 543 L N 1.739 122.919 121.223 -0.072 0.000 2.012 543 L HA 0.044 4.384 4.340 -0.000 0.000 0.210 543 L C 2.597 179.460 176.870 -0.012 0.000 1.073 543 L CA 1.975 56.766 54.840 -0.081 0.000 0.748 543 L CB -1.186 40.791 42.059 -0.136 0.000 0.891 543 L HN 0.225 nan 8.230 nan 0.000 0.431 544 A N -0.877 121.957 122.820 0.023 0.000 1.908 544 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 544 A C 2.489 180.095 177.584 0.037 0.000 1.181 544 A CA 2.214 54.285 52.037 0.057 0.000 0.627 544 A CB -1.166 17.874 19.000 0.067 0.000 0.818 544 A HN 0.688 nan 8.150 nan 0.000 0.445 545 S N -0.584 115.074 115.700 -0.069 0.000 2.423 545 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 545 S C 1.921 176.422 174.600 -0.166 0.000 1.014 545 S CA 1.533 59.584 58.200 -0.248 0.000 0.965 545 S CB -0.569 62.200 63.200 -0.717 0.000 0.785 545 S HN 0.521 nan 8.310 nan 0.000 0.495 546 M N 0.491 120.069 119.600 -0.037 0.000 2.319 546 M HA 0.207 4.687 4.480 -0.000 0.000 0.265 546 M C 1.390 177.714 176.300 0.040 0.000 1.068 546 M CA 1.046 56.359 55.300 0.022 0.000 1.118 546 M CB -0.319 32.295 32.600 0.023 0.000 1.395 546 M HN 0.311 nan 8.290 nan 0.000 0.435 547 L N -0.834 120.439 121.223 0.082 0.000 2.640 547 L HA 0.180 4.520 4.340 -0.000 0.000 0.230 547 L C 0.067 177.087 176.870 0.250 0.000 1.123 547 L CA -0.239 54.691 54.840 0.150 0.000 0.900 547 L CB 0.088 42.256 42.059 0.182 0.000 1.146 547 L HN 0.193 nan 8.230 nan 0.000 0.484 548 R N 0.251 120.900 120.500 0.248 0.000 3.422 548 R HA -0.150 4.190 4.340 -0.000 0.000 0.267 548 R C -0.655 175.844 176.300 0.333 0.000 1.074 548 R CA 0.685 56.983 56.100 0.330 0.000 0.718 548 R CB -2.546 27.924 30.300 0.284 0.000 1.157 548 R HN 0.273 nan 8.270 nan 0.000 0.440 549 I N 1.093 121.809 120.570 0.244 0.000 2.307 549 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 549 I C -1.871 174.264 176.117 0.030 0.000 1.021 549 I CA -2.473 58.909 61.300 0.137 0.000 1.224 549 I CB 1.464 39.524 38.000 0.100 0.000 1.376 549 I HN -0.163 nan 8.210 nan 0.000 0.470 550 P HA 0.030 nan 4.420 nan 0.000 0.269 550 P C -0.622 176.562 177.300 -0.193 0.000 1.209 550 P CA -0.152 62.771 63.100 -0.296 0.000 0.776 550 P CB 0.616 31.846 31.700 -0.783 0.000 0.876 551 V N 3.363 123.209 119.914 -0.114 0.000 2.318 551 V HA 0.036 4.156 4.120 -0.000 0.000 0.271 551 V C 1.495 177.656 176.094 0.113 0.000 1.030 551 V CA -0.146 62.166 62.300 0.019 0.000 0.844 551 V CB 0.159 32.023 31.823 0.068 0.000 1.015 551 V HN 0.859 nan 8.190 nan 0.000 0.460 552 C N 2.462 121.825 119.300 0.105 0.000 2.514 552 C HA 0.456 4.916 4.460 -0.000 0.000 0.271 552 C C 0.554 175.642 174.990 0.163 0.000 1.399 552 C CA -0.191 58.953 59.018 0.210 0.000 1.765 552 C CB -0.791 27.034 27.740 0.142 0.000 1.893 552 C HN 0.759 nan 8.230 nan 0.000 0.531 553 M N 1.459 121.155 119.600 0.159 0.000 2.325 553 M HA 0.495 4.975 4.480 -0.000 0.000 0.285 553 M C -1.687 174.814 176.300 0.336 0.000 1.119 553 M CA -0.163 55.255 55.300 0.196 0.000 0.959 553 M CB 1.709 34.365 32.600 0.094 0.000 1.737 553 M HN 0.731 nan 8.290 nan 0.000 0.486 554 H N 1.699 120.970 119.070 0.335 0.000 3.005 554 H HA 0.460 5.016 4.556 -0.000 0.000 0.311 554 H C -1.761 173.478 175.328 -0.147 0.000 1.366 554 H CA -0.765 55.382 56.048 0.164 0.000 1.210 554 H CB 0.457 30.260 29.762 0.068 0.000 1.894 554 H HN 0.614 nan 8.280 nan 0.000 0.520 555 N N 1.273 119.712 118.700 -0.435 0.000 2.351 555 N HA 0.171 4.911 4.740 -0.000 0.000 0.254 555 N C -1.040 174.330 175.510 -0.234 0.000 1.241 555 N CA -0.268 52.338 53.050 -0.741 0.000 0.883 555 N CB 0.400 38.019 38.487 -1.447 0.000 1.202 555 N HN 0.330 nan 8.380 nan 0.000 0.512 556 V N 0.823 120.821 119.914 0.139 0.000 2.649 556 V HA 0.099 4.219 4.120 -0.000 0.000 0.292 556 V C 0.832 176.991 176.094 0.108 0.000 1.055 556 V CA -0.588 61.767 62.300 0.093 0.000 1.023 556 V CB 1.022 32.884 31.823 0.065 0.000 0.992 556 V HN 0.266 nan 8.190 nan 0.000 0.480 557 E N 2.480 122.709 120.200 0.048 0.000 2.415 557 E HA -0.045 4.305 4.350 -0.000 0.000 0.263 557 E C 1.023 177.675 176.600 0.086 0.000 0.995 557 E CA 0.160 56.594 56.400 0.057 0.000 0.915 557 E CB 0.628 30.354 29.700 0.043 0.000 0.951 557 E HN 0.758 nan 8.360 nan 0.000 0.449 558 E N 2.116 122.374 120.200 0.098 0.000 2.130 558 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 558 E C 1.601 178.258 176.600 0.095 0.000 0.998 558 E CA 1.904 58.371 56.400 0.111 0.000 0.806 558 E CB 0.118 29.879 29.700 0.101 0.000 0.738 558 E HN 0.667 nan 8.360 nan 0.000 0.459 559 T N -1.863 112.739 114.554 0.080 0.000 3.035 559 T HA -0.024 4.326 4.350 -0.000 0.000 0.268 559 T C 1.517 176.262 174.700 0.075 0.000 1.109 559 T CA 0.755 62.903 62.100 0.079 0.000 1.119 559 T CB -0.032 68.876 68.868 0.066 0.000 0.900 559 T HN 0.089 nan 8.240 nan 0.000 0.503 560 K N 1.189 121.628 120.400 0.066 0.000 2.393 560 K HA 0.262 4.582 4.320 -0.000 0.000 0.193 560 K C 0.733 177.381 176.600 0.081 0.000 1.026 560 K CA -0.079 56.242 56.287 0.058 0.000 1.064 560 K CB 0.564 33.088 32.500 0.041 0.000 0.833 560 K HN 0.426 nan 8.250 nan 0.000 0.521 561 V N 0.770 120.737 119.914 0.087 0.000 2.470 561 V HA 0.116 4.236 4.120 -0.000 0.000 0.276 561 V C -1.176 175.025 176.094 0.178 0.000 1.040 561 V CA -0.333 62.018 62.300 0.085 0.000 1.008 561 V CB 0.135 31.976 31.823 0.030 0.000 0.990 561 V HN 0.132 nan 8.190 nan 0.000 0.477 562 Y N 7.749 128.061 120.300 0.019 0.000 2.338 562 Y HA 0.720 5.270 4.550 -0.000 0.000 0.328 562 Y C -0.011 175.949 175.900 0.099 0.000 0.965 562 Y CA -1.196 56.949 58.100 0.075 0.000 1.208 562 Y CB 1.080 39.599 38.460 0.098 0.000 1.132 562 Y HN 0.830 nan 8.280 nan 0.000 0.469 563 R N 4.762 125.074 120.500 -0.313 0.000 2.905 563 R HA 0.531 4.871 4.340 -0.000 0.000 0.260 563 R C -2.902 172.707 176.300 -1.152 0.000 1.086 563 R CA -2.338 53.339 56.100 -0.704 0.000 0.978 563 R CB 1.161 30.946 30.300 -0.860 0.000 1.215 563 R HN 0.405 nan 8.270 nan 0.000 0.480 564 P HA -0.070 nan 4.420 nan 0.000 0.268 564 P C 0.629 177.655 177.300 -0.456 0.000 1.208 564 P CA 0.301 62.620 63.100 -1.301 0.000 0.777 564 P CB 0.588 31.717 31.700 -0.952 0.000 0.875 565 S N 1.801 117.336 115.700 -0.276 0.000 2.442 565 S HA -0.186 4.284 4.470 -0.000 0.000 0.236 565 S C 1.818 176.474 174.600 0.092 0.000 1.007 565 S CA 1.018 59.187 58.200 -0.052 0.000 0.965 565 S CB -1.175 62.005 63.200 -0.032 0.000 0.773 565 S HN 0.475 nan 8.310 nan 0.000 0.504 566 A N 1.071 123.983 122.820 0.153 0.000 2.070 566 A HA 0.023 4.343 4.320 -0.000 0.000 0.220 566 A C 1.919 179.768 177.584 0.441 0.000 1.159 566 A CA 0.772 52.981 52.037 0.287 0.000 0.656 566 A CB -1.182 18.001 19.000 0.304 0.000 0.800 566 A HN 0.779 nan 8.150 nan 0.000 0.453 567 W N -0.182 121.156 121.300 0.063 0.000 2.342 567 W HA -0.223 4.437 4.660 -0.000 0.000 0.297 567 W C 2.636 179.247 176.519 0.154 0.000 1.213 567 W CA 1.254 58.644 57.345 0.075 0.000 1.251 567 W CB -0.213 29.220 29.460 -0.045 0.000 1.136 567 W HN 0.493 nan 8.180 nan 0.000 0.526 568 A N 0.358 123.365 122.820 0.312 0.000 1.972 568 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 568 A C 2.024 179.699 177.584 0.150 0.000 1.169 568 A CA 2.097 54.252 52.037 0.198 0.000 0.635 568 A CB -0.982 18.102 19.000 0.140 0.000 0.810 568 A HN 0.187 nan 8.150 nan 0.000 0.446 569 A N -1.083 121.824 122.820 0.146 0.000 2.121 569 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 569 A C 1.629 179.167 177.584 -0.076 0.000 1.154 569 A CA 1.570 53.617 52.037 0.018 0.000 0.679 569 A CB -0.738 18.244 19.000 -0.030 0.000 0.795 569 A HN 0.671 nan 8.150 nan 0.000 0.458 570 H N -1.002 118.060 119.070 -0.013 0.000 2.533 570 H HA 0.430 4.986 4.556 -0.000 0.000 0.271 570 H C 0.955 176.277 175.328 -0.009 0.000 1.000 570 H CA 0.545 56.561 56.048 -0.053 0.000 1.149 570 H CB 0.175 29.847 29.762 -0.150 0.000 1.375 570 H HN 0.658 nan 8.280 nan 0.000 0.582 571 G N -0.842 108.027 108.800 0.114 0.000 2.335 571 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.592 571 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.592 571 G C 0.301 175.265 174.900 0.107 0.000 1.442 571 G CA -0.512 44.643 45.100 0.092 0.000 0.976 571 G HN 0.126 nan 8.290 nan 0.000 0.652 572 M N -0.285 119.367 119.600 0.088 0.000 2.447 572 M HA 0.117 4.597 4.480 -0.000 0.000 0.264 572 M C 0.976 177.339 176.300 0.104 0.000 1.095 572 M CA 0.575 55.930 55.300 0.092 0.000 1.125 572 M CB -0.023 32.620 32.600 0.071 0.000 1.389 572 M HN 0.541 nan 8.290 nan 0.000 0.459 573 D N 1.230 121.692 120.400 0.102 0.000 2.371 573 D HA 0.039 4.679 4.640 -0.000 0.000 0.256 573 D C 1.117 177.507 176.300 0.149 0.000 1.193 573 D CA -0.098 53.969 54.000 0.111 0.000 0.881 573 D CB 0.828 41.684 40.800 0.094 0.000 1.143 573 D HN -0.013 nan 8.370 nan 0.000 0.473 574 I N 3.218 123.884 120.570 0.160 0.000 2.335 574 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 574 I C 1.933 178.193 176.117 0.238 0.000 1.129 574 I CA 1.406 62.826 61.300 0.199 0.000 1.402 574 I CB -0.848 37.276 38.000 0.206 0.000 1.069 574 I HN 0.706 nan 8.210 nan 0.000 0.424 575 E N 0.609 120.947 120.200 0.229 0.000 2.057 575 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 575 E C 2.363 179.149 176.600 0.310 0.000 0.969 575 E CA 0.869 57.443 56.400 0.290 0.000 0.812 575 E CB -0.266 29.582 29.700 0.247 0.000 0.777 575 E HN 0.351 nan 8.360 nan 0.000 0.455 576 G N 1.455 110.375 108.800 0.199 0.000 2.469 576 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.219 576 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.219 576 G C 1.567 176.560 174.900 0.154 0.000 1.150 576 G CA 1.308 46.503 45.100 0.158 0.000 0.763 576 G HN 0.513 nan 8.290 nan 0.000 0.561 577 Q N -0.131 119.762 119.800 0.154 0.000 2.124 577 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 577 Q C 1.929 177.911 176.000 -0.029 0.000 0.977 577 Q CA 1.707 57.577 55.803 0.110 0.000 0.850 577 Q CB -0.328 28.526 28.738 0.193 0.000 0.901 577 Q HN 0.370 nan 8.270 nan 0.000 0.429 578 D N -0.003 120.487 120.400 0.151 0.000 2.084 578 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 578 D C 1.524 177.800 176.300 -0.041 0.000 0.985 578 D CA 1.162 55.261 54.000 0.163 0.000 0.826 578 D CB -0.262 40.681 40.800 0.238 0.000 0.978 578 D HN 0.368 nan 8.370 nan 0.000 0.456 579 Y N 0.739 121.043 120.300 0.008 0.000 2.181 579 Y HA -0.081 4.469 4.550 -0.000 0.000 0.288 579 Y C 2.666 178.504 175.900 -0.104 0.000 1.146 579 Y CA 1.442 59.531 58.100 -0.020 0.000 1.164 579 Y CB -0.105 38.357 38.460 0.003 0.000 0.982 579 Y HN -0.069 nan 8.280 nan 0.000 0.515 580 R N -0.416 120.093 120.500 0.014 0.000 2.073 580 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 580 R C 2.538 178.616 176.300 -0.369 0.000 1.134 580 R CA 1.219 57.271 56.100 -0.080 0.000 0.952 580 R CB -0.679 29.642 30.300 0.035 0.000 0.850 580 R HN 0.311 nan 8.270 nan 0.000 0.433 581 A N 0.673 122.994 122.820 -0.832 0.000 1.873 581 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 581 A C 2.397 179.495 177.584 -0.811 0.000 1.186 581 A CA 1.362 52.520 52.037 -1.466 0.000 0.616 581 A CB -0.855 16.701 19.000 -2.407 0.000 0.823 581 A HN 0.451 nan 8.150 nan 0.000 0.442 582 C N -0.986 118.045 119.300 -0.448 0.000 2.429 582 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 582 C C 2.860 177.800 174.990 -0.083 0.000 1.262 582 C CA 1.335 60.290 59.018 -0.105 0.000 1.733 582 C CB -1.256 26.485 27.740 0.003 0.000 2.010 582 C HN 0.770 nan 8.230 nan 0.000 0.483 583 Q N 0.969 120.701 119.800 -0.113 0.000 2.119 583 Q HA -0.198 4.142 4.340 -0.000 0.000 0.201 583 Q C 2.128 178.041 176.000 -0.145 0.000 0.972 583 Q CA 1.672 57.435 55.803 -0.066 0.000 0.847 583 Q CB -0.257 28.462 28.738 -0.032 0.000 0.903 583 Q HN 0.691 nan 8.270 nan 0.000 0.433 584 N N -0.212 118.309 118.700 -0.298 0.000 2.022 584 N HA -0.197 4.543 4.740 -0.000 0.000 0.194 584 N C 1.476 176.725 175.510 -0.435 0.000 1.057 584 N CA 1.956 54.747 53.050 -0.432 0.000 0.849 584 N CB -0.573 37.507 38.487 -0.678 0.000 1.044 584 N HN 0.297 nan 8.380 nan 0.000 0.424 585 Y N 0.370 120.583 120.300 -0.143 0.000 2.314 585 Y HA 0.184 4.734 4.550 -0.000 0.000 0.293 585 Y C 1.897 177.741 175.900 -0.093 0.000 1.129 585 Y CA 0.730 58.770 58.100 -0.100 0.000 1.201 585 Y CB -0.917 37.489 38.460 -0.090 0.000 0.999 585 Y HN 0.314 nan 8.280 nan 0.000 0.541 586 G N 0.556 109.371 108.800 0.024 0.000 2.752 586 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.234 586 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.234 586 G C -2.551 172.254 174.900 -0.158 0.000 1.367 586 G CA -0.698 44.372 45.100 -0.049 0.000 0.879 586 G HN 0.145 nan 8.290 nan 0.000 0.563 587 P HA 0.164 nan 4.420 nan 0.000 0.267 587 P C 1.068 178.100 177.300 -0.446 0.000 1.200 587 P CA -0.297 62.311 63.100 -0.821 0.000 0.772 587 P CB 0.837 31.607 31.700 -1.550 0.000 0.855 588 L N 2.927 123.898 121.223 -0.421 0.000 2.083 588 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 588 L C 1.982 178.445 176.870 -0.680 0.000 1.083 588 L CA 2.090 56.605 54.840 -0.542 0.000 0.752 588 L CB -1.194 40.429 42.059 -0.727 0.000 0.899 588 L HN 0.354 nan 8.230 nan 0.000 0.433 589 Y N -0.648 119.574 120.300 -0.130 0.000 2.524 589 Y HA 0.216 4.766 4.550 -0.000 0.000 0.270 589 Y C 0.676 176.523 175.900 -0.088 0.000 1.094 589 Y CA -0.166 57.884 58.100 -0.083 0.000 1.276 589 Y CB 0.085 38.515 38.460 -0.050 0.000 1.130 589 Y HN 0.098 nan 8.280 nan 0.000 0.536 590 K N -1.506 118.865 120.400 -0.048 0.000 2.639 590 K HA 0.571 4.891 4.320 -0.000 0.000 0.279 590 K C -0.899 175.626 176.600 -0.124 0.000 0.976 590 K CA -1.280 54.976 56.287 -0.052 0.000 0.861 590 K CB 1.727 34.236 32.500 0.015 0.000 1.436 590 K HN -0.103 nan 8.250 nan 0.000 0.400 591 R N 0.000 120.453 120.500 -0.078 0.000 2.786 591 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 591 R CA 0.000 56.056 56.100 -0.073 0.000 0.921 591 R CB 0.000 30.273 30.300 -0.045 0.000 0.687 591 R HN 0.000 nan 8.270 nan 0.000 0.535