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 1yaj_1_J DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.692 174.600 0.154 0.000 1.055 21 S CA 0.000 58.230 58.200 0.050 0.000 1.107 21 S CB 0.000 63.224 63.200 0.041 0.000 0.593 22 S N 2.651 118.438 115.700 0.145 0.000 2.566 22 S HA 0.308 4.778 4.470 0.000 0.000 0.280 22 S C -2.422 172.299 174.600 0.202 0.000 1.343 22 S CA -0.144 58.140 58.200 0.140 0.000 1.036 22 S CB -0.096 63.165 63.200 0.102 0.000 0.866 22 S HN 0.493 nan 8.310 nan 0.000 0.526 23 P HA 0.176 nan 4.420 nan 0.000 0.268 23 P C -2.518 174.738 177.300 -0.074 0.000 1.208 23 P CA -0.906 62.184 63.100 -0.017 0.000 0.777 23 P CB -0.347 31.323 31.700 -0.049 0.000 0.875 24 P HA 0.036 nan 4.420 nan 0.000 0.267 24 P C -0.903 176.435 177.300 0.063 0.000 1.209 24 P CA 0.484 63.467 63.100 -0.195 0.000 0.763 24 P CB 0.329 31.759 31.700 -0.449 0.000 0.816 25 V N 5.409 125.384 119.914 0.101 0.000 2.349 25 V HA 0.229 4.349 4.120 0.000 0.000 0.284 25 V C 0.120 176.243 176.094 0.048 0.000 1.014 25 V CA -0.560 61.809 62.300 0.115 0.000 0.826 25 V CB 1.708 33.585 31.823 0.089 0.000 1.009 25 V HN 0.217 nan 8.190 nan 0.000 0.431 26 V N 3.016 122.921 119.914 -0.016 0.000 2.547 26 V HA 0.473 4.593 4.120 0.000 0.000 0.299 26 V C -0.233 175.763 176.094 -0.162 0.000 1.040 26 V CA -0.588 61.558 62.300 -0.257 0.000 0.913 26 V CB 2.202 33.509 31.823 -0.861 0.000 0.992 26 V HN 0.786 nan 8.190 nan 0.000 0.449 27 D N 2.896 123.196 120.400 -0.167 0.000 2.373 27 D HA 0.372 5.012 4.640 0.000 0.000 0.227 27 D C 0.236 176.461 176.300 -0.124 0.000 1.091 27 D CA -0.000 53.948 54.000 -0.086 0.000 0.840 27 D CB 1.635 42.390 40.800 -0.076 0.000 1.060 27 D HN 0.801 nan 8.370 nan 0.000 0.502 28 T N -0.538 113.994 114.554 -0.037 0.000 2.893 28 T HA 0.258 4.608 4.350 0.000 0.000 0.279 28 T C 1.664 176.273 174.700 -0.151 0.000 0.991 28 T CA -0.563 61.504 62.100 -0.055 0.000 0.950 28 T CB 0.702 69.694 68.868 0.206 0.000 1.223 28 T HN 0.019 nan 8.240 nan 0.000 0.585 29 V N 0.903 120.666 119.914 -0.252 0.000 2.490 29 V HA -0.085 4.035 4.120 0.000 0.000 0.250 29 V C 2.004 177.886 176.094 -0.354 0.000 1.061 29 V CA 1.523 63.609 62.300 -0.357 0.000 1.064 29 V CB -1.180 30.311 31.823 -0.554 0.000 0.670 29 V HN 0.836 nan 8.190 nan 0.000 0.461 30 H N -0.069 118.822 119.070 -0.298 0.000 2.520 30 H HA 0.548 5.104 4.556 0.000 0.000 0.284 30 H C 0.917 175.441 175.328 -1.341 0.000 1.037 30 H CA 0.617 56.281 56.048 -0.641 0.000 1.168 30 H CB 0.454 29.903 29.762 -0.522 0.000 1.497 30 H HN 0.521 nan 8.280 nan 0.000 0.547 31 G N 0.236 108.580 108.800 -0.760 0.000 2.359 31 G HA2 -0.058 3.902 3.960 0.000 0.000 0.303 31 G HA3 -0.058 3.902 3.960 0.000 0.000 0.303 31 G C -1.296 173.673 174.900 0.115 0.000 1.293 31 G CA -1.168 43.524 45.100 -0.679 0.000 0.964 31 G HN 0.055 nan 8.290 nan 0.000 0.531 32 K N -0.331 120.346 120.400 0.462 0.000 2.172 32 K HA 0.601 4.921 4.320 0.000 0.000 0.276 32 K C -0.478 176.453 176.600 0.552 0.000 1.013 32 K CA -0.603 55.929 56.287 0.410 0.000 0.913 32 K CB 2.215 34.867 32.500 0.253 0.000 1.055 32 K HN 0.334 nan 8.250 nan 0.000 0.461 33 V N 4.424 124.556 119.914 0.363 0.000 2.417 33 V HA 0.220 4.340 4.120 0.000 0.000 0.291 33 V C -0.403 175.880 176.094 0.315 0.000 1.024 33 V CA -0.976 61.507 62.300 0.306 0.000 0.861 33 V CB 1.564 33.587 31.823 0.334 0.000 0.985 33 V HN 0.587 nan 8.190 nan 0.000 0.436 34 L N 4.766 126.147 121.223 0.263 0.000 2.307 34 L HA 0.827 5.167 4.340 0.000 0.000 0.282 34 L C 0.439 177.438 176.870 0.214 0.000 1.051 34 L CA 0.593 55.571 54.840 0.230 0.000 0.804 34 L CB 1.134 43.250 42.059 0.095 0.000 1.197 34 L HN 0.754 nan 8.230 nan 0.000 0.431 35 G N 4.672 113.458 108.800 -0.023 0.000 3.212 35 G HA2 0.607 4.567 3.960 0.000 0.000 0.188 35 G HA3 0.607 4.567 3.960 0.000 0.000 0.188 35 G C -1.234 173.338 174.900 -0.546 0.000 1.254 35 G CA -0.461 44.237 45.100 -0.670 0.000 0.957 35 G HN 0.739 nan 8.290 nan 0.000 0.596 36 K N -1.307 118.692 120.400 -0.667 0.000 2.532 36 K HA 0.593 4.913 4.320 0.000 0.000 0.265 36 K C -1.889 174.475 176.600 -0.393 0.000 0.948 36 K CA -0.831 55.209 56.287 -0.410 0.000 0.842 36 K CB 1.842 34.199 32.500 -0.238 0.000 1.392 36 K HN 0.277 nan 8.250 nan 0.000 0.436 37 F N 1.496 121.386 119.950 -0.100 0.000 2.394 37 F HA 0.458 4.985 4.527 0.000 0.000 0.340 37 F C -0.385 175.402 175.800 -0.022 0.000 1.105 37 F CA -0.730 57.241 58.000 -0.048 0.000 1.124 37 F CB 2.032 41.023 39.000 -0.015 0.000 1.145 37 F HN 0.107 nan 8.300 nan 0.000 0.505 38 V N 2.737 122.794 119.914 0.240 0.000 2.569 38 V HA 0.254 4.374 4.120 0.000 0.000 0.301 38 V C -0.767 175.413 176.094 0.143 0.000 1.044 38 V CA -0.846 61.543 62.300 0.148 0.000 0.874 38 V CB 1.854 33.745 31.823 0.112 0.000 1.002 38 V HN 0.716 nan 8.190 nan 0.000 0.424 39 S N 5.494 121.262 115.700 0.112 0.000 2.422 39 S HA 0.539 5.009 4.470 0.000 0.000 0.298 39 S C -0.339 174.327 174.600 0.111 0.000 1.118 39 S CA -0.363 57.899 58.200 0.105 0.000 1.083 39 S CB 1.053 64.299 63.200 0.077 0.000 0.971 39 S HN 0.573 nan 8.310 nan 0.000 0.478 40 L N 3.291 124.586 121.223 0.119 0.000 2.397 40 L HA 0.328 4.668 4.340 0.000 0.000 0.271 40 L C 0.540 177.534 176.870 0.208 0.000 1.148 40 L CA -0.312 54.604 54.840 0.127 0.000 0.825 40 L CB 0.306 42.379 42.059 0.023 0.000 1.117 40 L HN 0.640 nan 8.230 nan 0.000 0.456 41 E N 3.829 124.147 120.200 0.197 0.000 3.089 41 E HA 0.187 4.537 4.350 0.000 0.000 0.226 41 E C 1.048 177.799 176.600 0.251 0.000 1.083 41 E CA 1.321 57.841 56.400 0.199 0.000 0.938 41 E CB -0.790 29.027 29.700 0.196 0.000 0.942 41 E HN 0.846 nan 8.360 nan 0.000 0.549 42 G N 3.680 112.582 108.800 0.171 0.000 2.258 42 G HA2 -0.294 3.666 3.960 0.000 0.000 0.233 42 G HA3 -0.294 3.666 3.960 0.000 0.000 0.233 42 G C 0.055 174.957 174.900 0.004 0.000 1.006 42 G CA -0.078 45.073 45.100 0.086 0.000 0.620 42 G HN 0.434 nan 8.290 nan 0.000 0.511 43 F N 2.039 121.984 119.950 -0.009 0.000 2.438 43 F HA 0.629 5.156 4.527 0.000 0.000 0.360 43 F C 1.662 177.452 175.800 -0.016 0.000 1.118 43 F CA 0.224 58.205 58.000 -0.031 0.000 1.164 43 F CB 1.358 40.330 39.000 -0.046 0.000 1.131 43 F HN 0.206 nan 8.300 nan 0.000 0.527 44 A N 2.709 125.550 122.820 0.036 0.000 1.902 44 A HA -0.190 4.130 4.320 0.000 0.000 0.217 44 A C 1.306 178.925 177.584 0.057 0.000 1.181 44 A CA 0.842 52.894 52.037 0.025 0.000 0.623 44 A CB -0.577 18.410 19.000 -0.021 0.000 0.818 44 A HN 0.635 nan 8.150 nan 0.000 0.443 45 Q N 1.278 121.141 119.800 0.106 0.000 2.262 45 Q HA 0.244 4.584 4.340 0.000 0.000 0.272 45 Q C -2.437 173.637 176.000 0.124 0.000 1.076 45 Q CA -2.102 53.764 55.803 0.106 0.000 0.905 45 Q CB 0.512 29.336 28.738 0.143 0.000 1.182 45 Q HN 0.363 nan 8.270 nan 0.000 0.390 46 P HA 0.099 nan 4.420 nan 0.000 0.284 46 P C -1.016 176.421 177.300 0.228 0.000 1.253 46 P CA -0.337 62.822 63.100 0.099 0.000 0.800 46 P CB 1.152 32.802 31.700 -0.084 0.000 0.961 47 V N 2.447 122.509 119.914 0.246 0.000 2.439 47 V HA 0.443 4.563 4.120 0.000 0.000 0.282 47 V C 0.765 177.024 176.094 0.274 0.000 1.039 47 V CA -0.703 61.748 62.300 0.251 0.000 0.913 47 V CB 1.025 32.958 31.823 0.184 0.000 0.983 47 V HN 0.728 nan 8.190 nan 0.000 0.460 48 A N 6.608 129.559 122.820 0.218 0.000 2.309 48 A HA 0.713 5.033 4.320 0.000 0.000 0.290 48 A C -0.407 177.096 177.584 -0.134 0.000 1.206 48 A CA -0.225 51.773 52.037 -0.064 0.000 0.850 48 A CB -0.077 18.970 19.000 0.077 0.000 1.118 48 A HN 0.775 nan 8.150 nan 0.000 0.523 49 I N 2.630 122.939 120.570 -0.434 0.000 2.406 49 I HA 0.415 4.585 4.170 0.000 0.000 0.290 49 I C -1.232 174.443 176.117 -0.738 0.000 0.999 49 I CA -0.261 60.771 61.300 -0.447 0.000 1.124 49 I CB 1.469 39.318 38.000 -0.252 0.000 1.289 49 I HN 0.569 nan 8.210 nan 0.000 0.441 50 F N 6.676 126.453 119.950 -0.289 0.000 2.507 50 F HA 0.559 5.086 4.527 0.000 0.000 0.325 50 F C -0.361 175.277 175.800 -0.269 0.000 1.116 50 F CA -0.628 57.253 58.000 -0.199 0.000 0.930 50 F CB 1.593 40.549 39.000 -0.073 0.000 1.146 50 F HN 0.110 nan 8.300 nan 0.000 0.447 51 L N 3.116 124.288 121.223 -0.084 0.000 2.388 51 L HA 0.614 4.954 4.340 0.000 0.000 0.267 51 L C 0.279 177.099 176.870 -0.083 0.000 0.995 51 L CA -0.586 54.175 54.840 -0.131 0.000 0.864 51 L CB 1.535 43.385 42.059 -0.349 0.000 1.216 51 L HN 0.943 nan 8.230 nan 0.000 0.430 52 G N 3.221 112.013 108.800 -0.013 0.000 2.181 52 G HA2 -0.160 3.800 3.960 0.000 0.000 0.152 52 G HA3 -0.160 3.800 3.960 0.000 0.000 0.152 52 G C -0.180 174.798 174.900 0.131 0.000 1.026 52 G CA -0.751 44.340 45.100 -0.013 0.000 0.699 52 G HN 0.465 nan 8.290 nan 0.000 0.497 53 I N 2.436 123.051 120.570 0.075 0.000 2.452 53 I HA 0.228 4.398 4.170 0.000 0.000 0.287 53 I C -1.370 174.768 176.117 0.035 0.000 1.079 53 I CA -1.958 59.360 61.300 0.030 0.000 1.387 53 I CB 0.845 38.795 38.000 -0.084 0.000 1.404 53 I HN -0.018 nan 8.210 nan 0.000 0.522 54 P HA -0.046 nan 4.420 nan 0.000 0.266 54 P C -0.190 177.060 177.300 -0.084 0.000 1.215 54 P CA 0.116 63.155 63.100 -0.101 0.000 0.763 54 P CB 0.236 31.916 31.700 -0.033 0.000 0.806 55 F N 2.068 121.825 119.950 -0.322 0.000 2.684 55 F HA 0.750 5.277 4.527 0.000 0.000 0.298 55 F C -0.039 175.741 175.800 -0.033 0.000 1.120 55 F CA -0.858 56.974 58.000 -0.279 0.000 1.332 55 F CB 0.245 39.020 39.000 -0.375 0.000 0.986 55 F HN 0.469 nan 8.300 nan 0.000 0.524 56 A N 0.510 123.131 122.820 -0.332 0.000 2.517 56 A HA 0.350 4.670 4.320 0.000 0.000 0.296 56 A C -1.318 176.094 177.584 -0.286 0.000 0.983 56 A CA -1.202 50.664 52.037 -0.286 0.000 0.634 56 A CB 0.355 19.069 19.000 -0.478 0.000 1.341 56 A HN 0.334 nan 8.150 nan 0.000 0.438 57 K N 0.449 120.741 120.400 -0.180 0.000 2.219 57 K HA 0.450 4.770 4.320 0.000 0.000 0.258 57 K C -2.382 174.085 176.600 -0.222 0.000 1.008 57 K CA -1.210 54.984 56.287 -0.156 0.000 0.928 57 K CB 0.379 32.824 32.500 -0.091 0.000 0.983 57 K HN 0.329 nan 8.250 nan 0.000 0.484 58 P HA 0.053 nan 4.420 nan 0.000 0.265 58 P C -2.363 174.844 177.300 -0.155 0.000 1.222 58 P CA -1.034 61.954 63.100 -0.187 0.000 0.767 58 P CB 0.352 31.982 31.700 -0.117 0.000 0.801 59 P HA 0.011 nan 4.420 nan 0.000 0.235 59 P C -0.685 176.526 177.300 -0.149 0.000 1.720 59 P CA 0.613 63.617 63.100 -0.159 0.000 1.003 59 P CB -0.065 31.538 31.700 -0.163 0.000 1.968 60 L N -0.273 120.875 121.223 -0.125 0.000 2.334 60 L HA 0.688 5.028 4.340 0.000 0.000 0.270 60 L C 1.396 178.206 176.870 -0.100 0.000 1.018 60 L CA -0.523 54.253 54.840 -0.108 0.000 0.811 60 L CB 1.058 43.067 42.059 -0.084 0.000 1.271 60 L HN 0.310 nan 8.230 nan 0.000 0.443 61 G N 1.643 110.387 108.800 -0.093 0.000 2.550 61 G HA2 -0.247 3.713 3.960 0.000 0.000 0.277 61 G HA3 -0.247 3.713 3.960 0.000 0.000 0.277 61 G C -1.571 173.273 174.900 -0.093 0.000 1.190 61 G CA 0.132 45.185 45.100 -0.079 0.000 0.971 61 G HN 0.610 nan 8.290 nan 0.000 0.559 62 P HA 0.048 nan 4.420 nan 0.000 0.231 62 P C 1.752 179.003 177.300 -0.081 0.000 1.158 62 P CA 1.085 64.155 63.100 -0.049 0.000 0.763 62 P CB -0.059 31.630 31.700 -0.018 0.000 0.805 63 L N -0.968 120.188 121.223 -0.111 0.000 2.591 63 L HA 0.124 4.464 4.340 0.000 0.000 0.228 63 L C 1.667 178.398 176.870 -0.232 0.000 1.133 63 L CA -0.228 54.526 54.840 -0.142 0.000 0.880 63 L CB -0.313 41.674 42.059 -0.120 0.000 1.033 63 L HN -0.075 nan 8.230 nan 0.000 0.450 64 R N 0.706 121.035 120.500 -0.285 0.000 2.389 64 R HA 0.040 4.380 4.340 0.000 0.000 0.295 64 R C -0.410 175.537 176.300 -0.588 0.000 1.075 64 R CA -0.180 55.624 56.100 -0.493 0.000 1.005 64 R CB 0.283 30.217 30.300 -0.609 0.000 0.987 64 R HN 0.056 nan 8.270 nan 0.000 0.452 65 F N 0.276 119.838 119.950 -0.648 0.000 2.937 65 F HA -0.240 4.287 4.527 0.000 0.000 0.290 65 F C -0.148 174.693 175.800 -1.599 0.000 0.802 65 F CA 1.289 58.565 58.000 -1.208 0.000 1.336 65 F CB -2.491 36.236 39.000 -0.455 0.000 1.438 65 F HN 0.682 nan 8.300 nan 0.000 0.469 66 T N -3.466 110.410 114.554 -1.129 0.000 2.883 66 T HA 0.773 5.123 4.350 0.000 0.000 0.301 66 T C -3.095 171.458 174.700 -0.244 0.000 1.158 66 T CA -2.368 59.366 62.100 -0.610 0.000 1.007 66 T CB 3.400 72.144 68.868 -0.206 0.000 1.186 66 T HN -0.253 nan 8.240 nan 0.000 0.499 67 P HA 0.252 nan 4.420 nan 0.000 0.268 67 P C -2.281 175.068 177.300 0.083 0.000 1.204 67 P CA -0.844 62.388 63.100 0.220 0.000 0.768 67 P CB -0.185 31.654 31.700 0.231 0.000 0.842 68 P HA -0.018 nan 4.420 nan 0.000 0.265 68 P C -0.793 176.520 177.300 0.021 0.000 1.193 68 P CA 0.402 63.507 63.100 0.008 0.000 0.765 68 P CB 0.770 32.474 31.700 0.008 0.000 0.823 69 Q N 3.211 123.002 119.800 -0.016 0.000 2.257 69 Q HA 0.436 4.776 4.340 0.000 0.000 0.262 69 Q C -2.342 173.663 176.000 0.007 0.000 0.997 69 Q CA -2.320 53.487 55.803 0.006 0.000 0.873 69 Q CB 0.725 29.457 28.738 -0.009 0.000 1.312 69 Q HN 0.345 nan 8.270 nan 0.000 0.450 70 P HA -0.046 nan 4.420 nan 0.000 0.262 70 P C -0.977 176.318 177.300 -0.009 0.000 1.199 70 P CA 0.337 63.490 63.100 0.088 0.000 0.763 70 P CB 0.362 32.145 31.700 0.137 0.000 0.790 71 A N 4.116 126.931 122.820 -0.008 0.000 2.555 71 A HA 0.032 4.352 4.320 0.000 0.000 0.233 71 A C 0.653 178.080 177.584 -0.263 0.000 1.060 71 A CA 0.052 52.043 52.037 -0.076 0.000 0.759 71 A CB -0.048 18.980 19.000 0.046 0.000 0.995 71 A HN 0.452 nan 8.150 nan 0.000 0.506 72 E N 2.032 122.142 120.200 -0.149 0.000 2.373 72 E HA 0.331 4.681 4.350 0.000 0.000 0.263 72 E C -2.170 174.336 176.600 -0.157 0.000 1.073 72 E CA -1.509 54.788 56.400 -0.171 0.000 0.894 72 E CB 0.150 29.818 29.700 -0.054 0.000 1.008 72 E HN 0.550 nan 8.360 nan 0.000 0.420 73 P HA 0.183 nan 4.420 nan 0.000 0.278 73 P C -0.905 176.407 177.300 0.020 0.000 1.238 73 P CA -0.484 62.480 63.100 -0.226 0.000 0.794 73 P CB 0.344 31.899 31.700 -0.241 0.000 0.955 74 W N 0.747 122.081 121.300 0.058 0.000 2.512 74 W HA 0.577 5.237 4.660 0.000 0.000 0.335 74 W C 0.575 177.125 176.519 0.052 0.000 1.088 74 W CA -0.707 56.682 57.345 0.074 0.000 1.236 74 W CB -0.214 29.311 29.460 0.109 0.000 1.307 74 W HN 0.145 nan 8.180 nan 0.000 0.567 75 S N 0.965 116.833 115.700 0.280 0.000 2.496 75 S HA 0.075 4.545 4.470 0.000 0.000 0.224 75 S C 0.344 174.808 174.600 -0.227 0.000 0.996 75 S CA 0.527 58.730 58.200 0.005 0.000 0.927 75 S CB -0.310 62.880 63.200 -0.016 0.000 0.774 75 S HN 0.453 nan 8.310 nan 0.000 0.524 76 F N -0.220 119.895 119.950 0.273 0.000 3.142 76 F HA 0.487 5.014 4.527 0.000 0.000 0.166 76 F C -0.038 175.947 175.800 0.309 0.000 1.598 76 F CA -0.814 57.317 58.000 0.218 0.000 0.920 76 F CB -0.017 39.065 39.000 0.137 0.000 1.949 76 F HN -0.334 nan 8.300 nan 0.000 0.306 77 V N 1.226 121.418 119.914 0.463 0.000 2.378 77 V HA 0.276 4.396 4.120 0.000 0.000 0.288 77 V C -0.491 175.690 176.094 0.144 0.000 1.016 77 V CA -1.102 61.381 62.300 0.305 0.000 0.840 77 V CB 1.221 33.177 31.823 0.222 0.000 0.994 77 V HN 0.339 nan 8.190 nan 0.000 0.431 78 K N 3.911 124.298 120.400 -0.021 0.000 2.316 78 K HA 0.218 4.538 4.320 0.000 0.000 0.289 78 K C 0.228 176.771 176.600 -0.096 0.000 1.070 78 K CA -0.315 55.828 56.287 -0.239 0.000 0.928 78 K CB 0.165 32.206 32.500 -0.764 0.000 1.039 78 K HN 0.612 nan 8.250 nan 0.000 0.480 79 N N 3.105 121.762 118.700 -0.073 0.000 2.814 79 N HA -0.010 4.730 4.740 0.000 0.000 0.304 79 N C -0.639 174.832 175.510 -0.065 0.000 1.211 79 N CA 0.084 53.106 53.050 -0.047 0.000 1.158 79 N CB 0.409 38.864 38.487 -0.053 0.000 1.458 79 N HN 0.512 nan 8.380 nan 0.000 0.519 80 A N 1.008 123.814 122.820 -0.024 0.000 2.993 80 A HA 0.082 4.402 4.320 0.000 0.000 0.281 80 A C 1.325 178.860 177.584 -0.081 0.000 1.847 80 A CA 0.005 52.026 52.037 -0.025 0.000 1.470 80 A CB -0.738 18.328 19.000 0.109 0.000 1.028 80 A HN 0.536 nan 8.150 nan 0.000 0.604 81 T N -2.741 111.735 114.554 -0.129 0.000 3.004 81 T HA 0.306 4.656 4.350 0.000 0.000 0.266 81 T C 0.470 175.039 174.700 -0.218 0.000 0.986 81 T CA 0.370 62.365 62.100 -0.174 0.000 0.902 81 T CB 0.128 68.917 68.868 -0.133 0.000 1.118 81 T HN 0.305 nan 8.240 nan 0.000 0.522 82 S N 0.746 116.324 115.700 -0.204 0.000 2.532 82 S HA 0.644 5.114 4.470 0.000 0.000 0.301 82 S C -1.386 173.093 174.600 -0.202 0.000 1.083 82 S CA -0.691 57.391 58.200 -0.197 0.000 1.025 82 S CB 0.830 63.953 63.200 -0.127 0.000 1.056 82 S HN 0.286 nan 8.310 nan 0.000 0.494 83 Y N 3.714 123.949 120.300 -0.107 0.000 2.526 83 Y HA 0.203 4.753 4.550 0.000 0.000 0.330 83 Y C -1.457 174.339 175.900 -0.173 0.000 1.156 83 Y CA -1.439 56.594 58.100 -0.111 0.000 1.419 83 Y CB -0.032 38.381 38.460 -0.078 0.000 1.250 83 Y HN 0.413 nan 8.280 nan 0.000 0.540 84 P HA 0.113 nan 4.420 nan 0.000 0.271 84 P C -2.682 174.530 177.300 -0.147 0.000 1.233 84 P CA -1.258 61.679 63.100 -0.273 0.000 0.789 84 P CB 0.469 31.992 31.700 -0.296 0.000 0.951 85 P HA 0.261 nan 4.420 nan 0.000 0.274 85 P C -0.277 176.986 177.300 -0.062 0.000 1.237 85 P CA -0.189 62.848 63.100 -0.105 0.000 0.793 85 P CB 0.272 31.912 31.700 -0.100 0.000 0.977 86 M N -0.030 119.517 119.600 -0.088 0.000 2.300 86 M HA 0.475 4.955 4.480 0.000 0.000 0.348 86 M C -0.701 175.523 176.300 -0.127 0.000 1.151 86 M CA -0.680 54.562 55.300 -0.097 0.000 1.046 86 M CB 0.544 33.065 32.600 -0.132 0.000 1.647 86 M HN 0.120 nan 8.290 nan 0.000 0.451 87 c N 2.187 120.709 118.600 -0.131 0.000 2.608 87 c HA 0.058 4.628 4.570 0.000 0.000 0.407 87 c C 1.079 174.997 174.090 -0.287 0.000 1.322 87 c CA -0.120 56.080 56.329 -0.215 0.000 1.778 87 c CB -0.687 41.717 42.510 -0.177 0.000 2.654 87 c HN 0.898 nan 8.230 nan 0.000 0.622 88 T N 4.185 118.424 114.554 -0.526 0.000 2.923 88 T HA 0.306 4.656 4.350 0.000 0.000 0.304 88 T C -0.084 174.447 174.700 -0.282 0.000 1.044 88 T CA 0.298 62.047 62.100 -0.585 0.000 1.141 88 T CB -0.046 67.987 68.868 -1.392 0.000 1.023 88 T HN 0.904 nan 8.240 nan 0.000 0.533 89 Q N 0.489 120.244 119.800 -0.076 0.000 2.848 89 Q HA 0.205 4.545 4.340 0.000 0.000 0.288 89 Q C -1.785 174.259 176.000 0.073 0.000 0.907 89 Q CA -1.076 54.769 55.803 0.070 0.000 0.792 89 Q CB 0.763 29.514 28.738 0.021 0.000 1.534 89 Q HN 0.410 nan 8.270 nan 0.000 0.419 90 D N 2.953 123.419 120.400 0.110 0.000 2.536 90 D HA -0.020 4.620 4.640 0.000 0.000 0.260 90 D C -1.132 175.187 176.300 0.032 0.000 1.270 90 D CA -0.902 53.150 54.000 0.085 0.000 0.934 90 D CB 0.960 41.815 40.800 0.091 0.000 1.129 90 D HN 0.329 nan 8.370 nan 0.000 0.533 91 P HA -0.203 nan 4.420 nan 0.000 0.218 91 P C 1.294 178.583 177.300 -0.018 0.000 1.148 91 P CA 1.105 64.198 63.100 -0.012 0.000 0.822 91 P CB 0.378 32.071 31.700 -0.012 0.000 0.784 92 K N 0.280 120.676 120.400 -0.006 0.000 1.973 92 K HA -0.059 4.261 4.320 0.000 0.000 0.210 92 K C 2.287 178.872 176.600 -0.024 0.000 1.045 92 K CA 1.431 57.710 56.287 -0.013 0.000 0.937 92 K CB -0.629 31.869 32.500 -0.003 0.000 0.721 92 K HN -0.062 nan 8.250 nan 0.000 0.438 93 A N 0.812 123.623 122.820 -0.015 0.000 1.933 93 A HA -0.067 4.253 4.320 0.000 0.000 0.218 93 A C 2.341 179.895 177.584 -0.049 0.000 1.175 93 A CA 1.871 53.890 52.037 -0.030 0.000 0.628 93 A CB -1.249 17.747 19.000 -0.007 0.000 0.814 93 A HN 0.609 nan 8.150 nan 0.000 0.444 94 G N -0.847 107.931 108.800 -0.037 0.000 2.475 94 G HA2 -0.310 3.651 3.960 0.000 0.000 0.220 94 G HA3 -0.310 3.651 3.960 0.000 0.000 0.220 94 G C 1.634 176.479 174.900 -0.090 0.000 1.125 94 G CA 1.207 46.271 45.100 -0.059 0.000 0.755 94 G HN 0.641 nan 8.290 nan 0.000 0.565 95 Q N -0.666 119.086 119.800 -0.080 0.000 2.061 95 Q HA 0.043 4.383 4.340 0.000 0.000 0.195 95 Q C 2.491 178.430 176.000 -0.101 0.000 0.967 95 Q CA 0.619 56.367 55.803 -0.093 0.000 0.829 95 Q CB -0.263 28.433 28.738 -0.071 0.000 0.900 95 Q HN 0.314 nan 8.270 nan 0.000 0.450 96 L N 1.464 122.636 121.223 -0.084 0.000 2.103 96 L HA -0.227 4.113 4.340 0.000 0.000 0.215 96 L C 2.175 178.959 176.870 -0.145 0.000 1.080 96 L CA 1.645 56.432 54.840 -0.088 0.000 0.764 96 L CB -0.836 41.178 42.059 -0.074 0.000 0.890 96 L HN 0.415 nan 8.230 nan 0.000 0.435 97 L N -1.382 119.726 121.223 -0.191 0.000 2.072 97 L HA -0.122 4.218 4.340 0.000 0.000 0.205 97 L C 2.672 179.332 176.870 -0.351 0.000 1.079 97 L CA 1.979 56.618 54.840 -0.335 0.000 0.752 97 L CB -0.756 41.144 42.059 -0.265 0.000 0.906 97 L HN 0.424 nan 8.230 nan 0.000 0.436 98 S N -0.843 114.718 115.700 -0.231 0.000 2.402 98 S HA -0.179 4.291 4.470 0.000 0.000 0.229 98 S C 1.775 176.269 174.600 -0.177 0.000 1.021 98 S CA 1.436 59.499 58.200 -0.228 0.000 0.974 98 S CB -0.368 62.703 63.200 -0.215 0.000 0.800 98 S HN 0.660 nan 8.310 nan 0.000 0.484 99 E N 0.153 120.277 120.200 -0.125 0.000 2.371 99 E HA 0.095 4.445 4.350 0.000 0.000 0.194 99 E C 1.599 178.211 176.600 0.020 0.000 1.012 99 E CA 0.504 56.871 56.400 -0.055 0.000 0.860 99 E CB -0.012 29.667 29.700 -0.035 0.000 0.811 99 E HN 0.522 nan 8.360 nan 0.000 0.502 100 L N -0.414 120.805 121.223 -0.008 0.000 2.529 100 L HA 0.095 4.435 4.340 0.000 0.000 0.223 100 L C 1.296 178.397 176.870 0.385 0.000 1.113 100 L CA 0.085 55.014 54.840 0.149 0.000 0.861 100 L CB 0.230 42.320 42.059 0.051 0.000 1.012 100 L HN 0.088 nan 8.230 nan 0.000 0.461 101 F N -0.921 119.013 119.950 -0.027 0.000 2.712 101 F HA 0.173 4.700 4.527 0.000 0.000 0.297 101 F C 1.644 177.204 175.800 -0.400 0.000 1.114 101 F CA -0.480 57.400 58.000 -0.200 0.000 1.305 101 F CB -0.399 38.515 39.000 -0.143 0.000 1.086 101 F HN -0.202 nan 8.300 nan 0.000 0.599 102 T N 1.773 116.239 114.554 -0.145 0.000 2.946 102 T HA -0.022 4.328 4.350 0.000 0.000 0.311 102 T C 1.108 175.705 174.700 -0.172 0.000 1.063 102 T CA 0.499 62.445 62.100 -0.257 0.000 1.139 102 T CB 0.480 69.233 68.868 -0.193 0.000 0.994 102 T HN 0.387 nan 8.240 nan 0.000 0.547 103 N N 3.100 121.664 118.700 -0.226 0.000 2.407 103 N HA 0.081 4.821 4.740 0.000 0.000 0.182 103 N C 0.678 176.100 175.510 -0.148 0.000 1.079 103 N CA -0.324 52.624 53.050 -0.170 0.000 0.882 103 N CB -0.203 38.171 38.487 -0.189 0.000 1.106 103 N HN 0.727 nan 8.380 nan 0.000 0.461 104 R N 1.342 121.767 120.500 -0.125 0.000 2.944 104 R HA 0.091 4.431 4.340 0.000 0.000 0.279 104 R C 0.869 177.130 176.300 -0.065 0.000 1.048 104 R CA -0.139 55.915 56.100 -0.076 0.000 1.196 104 R CB 0.398 30.667 30.300 -0.052 0.000 1.134 104 R HN 0.205 nan 8.270 nan 0.000 0.525 105 K N 0.521 120.902 120.400 -0.032 0.000 1.969 105 K HA -0.166 4.154 4.320 0.000 0.000 0.220 105 K C -0.040 176.551 176.600 -0.016 0.000 1.040 105 K CA 1.346 57.623 56.287 -0.017 0.000 0.981 105 K CB -0.491 32.013 32.500 0.005 0.000 0.746 105 K HN 0.729 nan 8.250 nan 0.000 0.444 106 E N 1.941 122.135 120.200 -0.010 0.000 2.200 106 E HA 0.109 4.459 4.350 0.000 0.000 0.283 106 E C -0.592 175.985 176.600 -0.038 0.000 1.015 106 E CA -0.853 55.538 56.400 -0.015 0.000 0.819 106 E CB 0.674 30.372 29.700 -0.004 0.000 1.081 106 E HN 0.208 nan 8.360 nan 0.000 0.397 107 N N 4.266 122.937 118.700 -0.049 0.000 2.447 107 N HA -0.041 4.699 4.740 0.000 0.000 0.263 107 N C -0.407 175.044 175.510 -0.099 0.000 1.226 107 N CA -0.164 52.835 53.050 -0.086 0.000 0.906 107 N CB 0.395 38.834 38.487 -0.079 0.000 1.060 107 N HN 0.511 nan 8.380 nan 0.000 0.468 108 I N 6.001 126.477 120.570 -0.157 0.000 2.533 108 I HA 0.128 4.298 4.170 0.000 0.000 0.284 108 I C -1.519 174.497 176.117 -0.169 0.000 1.109 108 I CA -1.712 59.479 61.300 -0.181 0.000 1.412 108 I CB 0.378 38.151 38.000 -0.379 0.000 1.396 108 I HN 0.389 nan 8.210 nan 0.000 0.543 109 P HA 0.354 nan 4.420 nan 0.000 0.272 109 P C -1.255 175.980 177.300 -0.107 0.000 1.230 109 P CA -0.298 62.748 63.100 -0.091 0.000 0.788 109 P CB 1.099 32.766 31.700 -0.055 0.000 0.949 110 L N -0.019 121.145 121.223 -0.099 0.000 2.424 110 L HA 0.606 4.946 4.340 0.000 0.000 0.258 110 L C 0.111 176.930 176.870 -0.085 0.000 0.995 110 L CA -0.958 53.820 54.840 -0.103 0.000 0.821 110 L CB 1.171 43.149 42.059 -0.135 0.000 1.383 110 L HN 0.125 nan 8.230 nan 0.000 0.410 111 K N 0.830 121.180 120.400 -0.083 0.000 2.168 111 K HA 0.852 5.172 4.320 0.000 0.000 0.239 111 K C -1.107 175.436 176.600 -0.096 0.000 0.999 111 K CA -0.343 55.896 56.287 -0.080 0.000 0.900 111 K CB 1.231 33.685 32.500 -0.076 0.000 1.111 111 K HN 0.490 nan 8.250 nan 0.000 0.452 112 L N 0.002 121.165 121.223 -0.100 0.000 2.341 112 L HA 0.661 5.001 4.340 0.000 0.000 0.267 112 L C -0.634 176.151 176.870 -0.141 0.000 1.009 112 L CA -0.619 54.142 54.840 -0.131 0.000 0.819 112 L CB 2.174 44.152 42.059 -0.134 0.000 1.323 112 L HN 0.513 nan 8.230 nan 0.000 0.425 113 S N -0.436 115.151 115.700 -0.189 0.000 2.678 113 S HA 0.088 4.558 4.470 0.000 0.000 0.290 113 S C 0.017 174.461 174.600 -0.261 0.000 1.047 113 S CA -0.660 57.426 58.200 -0.190 0.000 0.851 113 S CB 1.423 64.558 63.200 -0.109 0.000 1.058 113 S HN 0.746 nan 8.310 nan 0.000 0.451 114 E N 0.791 120.805 120.200 -0.309 0.000 2.268 114 E HA -0.132 4.218 4.350 0.000 0.000 0.195 114 E C 0.063 176.539 176.600 -0.207 0.000 0.995 114 E CA 0.688 56.867 56.400 -0.369 0.000 0.836 114 E CB 0.053 29.562 29.700 -0.318 0.000 0.763 114 E HN 0.492 nan 8.360 nan 0.000 0.491 115 D N 0.529 120.856 120.400 -0.123 0.000 2.508 115 D HA -0.015 4.625 4.640 0.000 0.000 0.224 115 D C 0.013 176.378 176.300 0.109 0.000 1.171 115 D CA -0.288 53.689 54.000 -0.039 0.000 1.006 115 D CB -0.154 40.651 40.800 0.009 0.000 1.073 115 D HN 0.160 nan 8.370 nan 0.000 0.513 116 c N 2.208 120.827 118.600 0.033 0.000 3.486 116 c HA 0.365 4.935 4.570 0.000 0.000 0.264 116 c C 0.755 174.907 174.090 0.103 0.000 1.756 116 c CA -0.754 55.687 56.329 0.187 0.000 1.764 116 c CB -1.414 41.115 42.510 0.032 0.000 3.238 116 c HN 0.449 nan 8.230 nan 0.000 0.524 117 L N 2.423 123.467 121.223 -0.299 0.000 2.416 117 L HA 0.317 4.657 4.340 0.000 0.000 0.243 117 L C -0.817 175.708 176.870 -0.576 0.000 1.373 117 L CA 0.611 55.154 54.840 -0.494 0.000 1.227 117 L CB -0.869 40.669 42.059 -0.869 0.000 1.428 117 L HN 0.426 nan 8.230 nan 0.000 0.425 118 Y N 1.218 121.652 120.300 0.223 0.000 2.536 118 Y HA 0.656 5.206 4.550 0.000 0.000 0.347 118 Y C -0.153 175.895 175.900 0.245 0.000 1.000 118 Y CA -1.429 56.810 58.100 0.232 0.000 1.051 118 Y CB 1.868 40.367 38.460 0.065 0.000 1.259 118 Y HN 0.096 nan 8.280 nan 0.000 0.468 119 L N 0.050 121.403 121.223 0.216 0.000 2.388 119 L HA 0.735 5.075 4.340 0.000 0.000 0.264 119 L C -1.136 175.738 176.870 0.006 0.000 0.998 119 L CA -1.203 53.654 54.840 0.028 0.000 0.817 119 L CB 1.499 43.422 42.059 -0.226 0.000 1.338 119 L HN 0.409 nan 8.230 nan 0.000 0.414 120 N N 2.153 120.892 118.700 0.065 0.000 2.466 120 N HA 0.707 5.447 4.740 0.000 0.000 0.294 120 N C -0.976 174.504 175.510 -0.050 0.000 1.129 120 N CA -0.288 52.769 53.050 0.012 0.000 0.931 120 N CB 2.288 40.844 38.487 0.114 0.000 1.193 120 N HN 0.665 nan 8.380 nan 0.000 0.500 121 I N 1.209 121.655 120.570 -0.208 0.000 2.689 121 I HA 0.344 4.514 4.170 0.000 0.000 0.299 121 I C -1.279 174.640 176.117 -0.330 0.000 1.059 121 I CA -0.739 60.460 61.300 -0.169 0.000 1.055 121 I CB 1.682 39.484 38.000 -0.329 0.000 1.243 121 I HN 0.353 nan 8.210 nan 0.000 0.425 122 Y N 2.415 122.811 120.300 0.161 0.000 2.322 122 Y HA 0.344 4.894 4.550 0.000 0.000 0.324 122 Y C 0.057 176.064 175.900 0.177 0.000 1.027 122 Y CA -0.696 57.504 58.100 0.166 0.000 1.179 122 Y CB 2.156 40.698 38.460 0.137 0.000 1.136 122 Y HN 0.357 nan 8.280 nan 0.000 0.449 123 T N 4.908 119.658 114.554 0.328 0.000 2.815 123 T HA 0.365 4.715 4.350 0.000 0.000 0.289 123 T C -2.502 172.351 174.700 0.256 0.000 1.000 123 T CA -2.323 59.953 62.100 0.293 0.000 0.958 123 T CB 1.250 70.331 68.868 0.354 0.000 0.944 123 T HN 0.358 nan 8.240 nan 0.000 0.442 124 P HA 0.332 nan 4.420 nan 0.000 0.249 124 P C 0.008 177.408 177.300 0.167 0.000 1.544 124 P CA -0.228 62.970 63.100 0.165 0.000 0.932 124 P CB -0.156 31.607 31.700 0.104 0.000 1.524 125 A N 0.288 123.222 122.820 0.191 0.000 2.256 125 A HA 0.398 4.718 4.320 0.000 0.000 0.318 125 A C -0.258 177.435 177.584 0.181 0.000 1.103 125 A CA -0.430 51.707 52.037 0.166 0.000 0.860 125 A CB 0.229 19.326 19.000 0.161 0.000 1.182 125 A HN -0.048 nan 8.150 nan 0.000 0.501 126 D N 1.089 121.574 120.400 0.142 0.000 2.500 126 D HA 0.347 4.987 4.640 0.000 0.000 0.219 126 D C 1.054 177.435 176.300 0.136 0.000 1.137 126 D CA -0.150 53.933 54.000 0.139 0.000 0.946 126 D CB -0.351 40.504 40.800 0.092 0.000 1.022 126 D HN 0.414 nan 8.370 nan 0.000 0.518 127 L N 1.888 123.217 121.223 0.177 0.000 2.302 127 L HA -0.286 4.054 4.340 0.000 0.000 0.218 127 L C 2.419 179.344 176.870 0.092 0.000 1.100 127 L CA 1.731 56.655 54.840 0.140 0.000 0.774 127 L CB -0.990 41.173 42.059 0.174 0.000 0.896 127 L HN 0.504 nan 8.230 nan 0.000 0.439 128 T N -3.113 111.498 114.554 0.095 0.000 2.812 128 T HA -0.097 4.253 4.350 0.000 0.000 0.264 128 T C 0.988 175.716 174.700 0.046 0.000 1.042 128 T CA 0.485 62.624 62.100 0.066 0.000 1.140 128 T CB -0.084 68.823 68.868 0.064 0.000 0.870 128 T HN 0.227 nan 8.240 nan 0.000 0.445 129 K N 1.561 121.991 120.400 0.050 0.000 2.144 129 K HA 0.324 4.644 4.320 0.000 0.000 0.270 129 K C -0.256 176.366 176.600 0.036 0.000 1.005 129 K CA -0.559 55.750 56.287 0.037 0.000 0.932 129 K CB 0.948 33.471 32.500 0.038 0.000 1.021 129 K HN 0.183 nan 8.250 nan 0.000 0.462 130 K N 3.089 123.503 120.400 0.023 0.000 2.121 130 K HA 0.103 4.423 4.320 0.000 0.000 0.235 130 K C -0.496 176.119 176.600 0.025 0.000 1.200 130 K CA -0.190 56.108 56.287 0.018 0.000 1.115 130 K CB -0.283 32.220 32.500 0.005 0.000 1.474 130 K HN 0.380 nan 8.250 nan 0.000 0.295 131 N N 1.767 120.492 118.700 0.040 0.000 2.524 131 N HA 0.180 4.920 4.740 0.000 0.000 0.283 131 N C -0.012 175.525 175.510 0.046 0.000 1.142 131 N CA -0.407 52.670 53.050 0.046 0.000 0.984 131 N CB 1.069 39.595 38.487 0.064 0.000 1.155 131 N HN 0.142 nan 8.380 nan 0.000 0.467 132 R N 1.274 121.797 120.500 0.038 0.000 2.835 132 R HA 0.388 4.728 4.340 0.000 0.000 0.290 132 R C -0.333 175.989 176.300 0.037 0.000 1.410 132 R CA -0.347 55.773 56.100 0.034 0.000 1.590 132 R CB -0.233 30.075 30.300 0.014 0.000 1.288 132 R HN 0.493 nan 8.270 nan 0.000 0.637 133 L N 2.259 123.516 121.223 0.058 0.000 2.476 133 L HA 0.311 4.651 4.340 0.000 0.000 0.264 133 L C -1.579 175.326 176.870 0.058 0.000 1.224 133 L CA -1.503 53.372 54.840 0.059 0.000 0.821 133 L CB 0.505 42.612 42.059 0.081 0.000 1.101 133 L HN 0.185 nan 8.230 nan 0.000 0.488 134 P HA 0.080 nan 4.420 nan 0.000 0.275 134 P C -1.076 176.273 177.300 0.081 0.000 1.228 134 P CA -0.160 62.967 63.100 0.046 0.000 0.786 134 P CB 1.161 32.873 31.700 0.020 0.000 0.927 135 V N 4.428 124.404 119.914 0.103 0.000 2.483 135 V HA 0.395 4.515 4.120 0.000 0.000 0.295 135 V C 0.604 176.802 176.094 0.173 0.000 1.035 135 V CA -0.415 61.974 62.300 0.149 0.000 0.896 135 V CB 1.291 33.212 31.823 0.164 0.000 0.986 135 V HN 0.511 nan 8.190 nan 0.000 0.447 136 M N 4.525 124.261 119.600 0.227 0.000 2.018 136 M HA 0.403 4.883 4.480 0.000 0.000 0.311 136 M C -1.019 175.626 176.300 0.574 0.000 0.928 136 M CA -0.464 55.033 55.300 0.327 0.000 0.911 136 M CB 1.768 34.457 32.600 0.148 0.000 1.447 136 M HN 0.385 nan 8.290 nan 0.000 0.407 137 V N 3.637 123.843 119.914 0.486 0.000 2.455 137 V HA 0.183 4.303 4.120 0.000 0.000 0.273 137 V C -0.527 175.766 176.094 0.331 0.000 1.045 137 V CA -0.181 62.334 62.300 0.357 0.000 0.976 137 V CB 0.673 32.615 31.823 0.198 0.000 0.993 137 V HN 0.810 nan 8.190 nan 0.000 0.475 138 W N 7.344 128.607 121.300 -0.062 0.000 2.376 138 W HA 0.571 5.231 4.660 0.000 0.000 0.312 138 W C -1.310 175.054 176.519 -0.259 0.000 1.060 138 W CA -1.047 56.004 57.345 -0.490 0.000 1.221 138 W CB 1.311 30.436 29.460 -0.558 0.000 1.281 138 W HN 0.414 nan 8.180 nan 0.000 0.456 139 I N 8.213 128.137 120.570 -1.077 0.000 2.306 139 I HA 0.044 4.215 4.170 0.000 0.000 0.288 139 I C 1.235 176.557 176.117 -1.326 0.000 1.036 139 I CA -0.718 60.030 61.300 -0.919 0.000 1.221 139 I CB 0.649 38.243 38.000 -0.675 0.000 1.385 139 I HN 0.419 nan 8.210 nan 0.000 0.472 140 H N 5.040 123.644 119.070 -0.777 0.000 2.822 140 H HA 0.353 4.909 4.556 0.000 0.000 0.373 140 H C -0.124 175.149 175.328 -0.092 0.000 1.223 140 H CA -0.350 55.455 56.048 -0.404 0.000 1.436 140 H CB 0.902 30.833 29.762 0.281 0.000 1.439 140 H HN 0.605 nan 8.280 nan 0.000 0.618 141 G N -2.125 106.832 108.800 0.261 0.000 2.735 141 G HA2 0.504 4.464 3.960 0.000 0.000 0.301 141 G HA3 0.504 4.464 3.960 0.000 0.000 0.301 141 G C 0.072 175.263 174.900 0.486 0.000 1.279 141 G CA -0.803 44.469 45.100 0.286 0.000 1.019 141 G HN 1.102 nan 8.290 nan 0.000 0.497 142 G N -2.333 106.677 108.800 0.349 0.000 2.925 142 G HA2 0.437 4.397 3.960 0.000 0.000 0.224 142 G HA3 0.437 4.397 3.960 0.000 0.000 0.224 142 G C 0.967 175.967 174.900 0.168 0.000 1.015 142 G CA 0.836 46.098 45.100 0.270 0.000 1.026 142 G HN 2.293 nan 8.290 nan 0.000 0.608 143 G N 0.179 109.062 108.800 0.140 0.000 2.200 143 G HA2 -0.206 3.754 3.960 0.000 0.000 0.267 143 G HA3 -0.206 3.754 3.960 0.000 0.000 0.267 143 G C 1.075 175.949 174.900 -0.044 0.000 0.993 143 G CA 0.687 45.811 45.100 0.040 0.000 0.701 143 G HN 1.778 nan 8.290 nan 0.000 0.524 144 L N -3.251 117.980 121.223 0.012 0.000 4.089 144 L HA -0.230 4.110 4.340 0.000 0.000 0.408 144 L C 1.694 178.569 176.870 0.008 0.000 1.184 144 L CA 1.301 56.121 54.840 -0.033 0.000 0.947 144 L CB -1.598 40.152 42.059 -0.516 0.000 2.066 144 L HN 0.432 nan 8.230 nan 0.000 0.851 145 M N -1.471 118.158 119.600 0.047 0.000 2.180 145 M HA 0.341 4.821 4.480 0.000 0.000 0.266 145 M C 0.561 176.908 176.300 0.080 0.000 1.200 145 M CA 0.948 56.276 55.300 0.046 0.000 1.101 145 M CB 1.072 33.675 32.600 0.006 0.000 1.769 145 M HN 0.190 nan 8.290 nan 0.000 0.609 146 V N -2.065 117.894 119.914 0.075 0.000 3.159 146 V HA 1.042 5.162 4.120 0.000 0.000 0.308 146 V C -0.435 175.682 176.094 0.038 0.000 1.190 146 V CA -0.254 62.069 62.300 0.037 0.000 1.037 146 V CB 1.417 33.251 31.823 0.019 0.000 1.060 146 V HN 0.544 nan 8.190 nan 0.000 0.437 147 G N -0.041 108.713 108.800 -0.077 0.000 2.525 147 G HA2 0.594 4.554 3.960 0.000 0.000 0.685 147 G HA3 0.594 4.554 3.960 0.000 0.000 0.685 147 G C -0.671 173.899 174.900 -0.551 0.000 1.285 147 G CA -0.049 44.918 45.100 -0.221 0.000 0.849 147 G HN 2.554 nan 8.290 nan 0.000 0.653 148 A N -0.106 122.357 122.820 -0.594 0.000 2.566 148 A HA 1.075 5.395 4.320 0.000 0.000 0.292 148 A C 0.946 178.383 177.584 -0.245 0.000 1.112 148 A CA 0.441 52.209 52.037 -0.449 0.000 0.707 148 A CB 1.158 20.019 19.000 -0.232 0.000 1.302 148 A HN 2.532 nan 8.150 nan 0.000 0.409 149 A N 0.045 122.881 122.820 0.026 0.000 1.970 149 A HA 0.127 4.447 4.320 0.000 0.000 0.216 149 A C 1.900 179.616 177.584 0.219 0.000 1.170 149 A CA 2.025 54.240 52.037 0.296 0.000 0.645 149 A CB -0.801 18.401 19.000 0.336 0.000 0.816 149 A HN 1.126 nan 8.150 nan 0.000 0.447 150 S N -0.220 115.509 115.700 0.047 0.000 2.465 150 S HA -0.133 4.337 4.470 0.000 0.000 0.241 150 S C 1.803 176.247 174.600 -0.261 0.000 1.000 150 S CA 1.506 59.650 58.200 -0.092 0.000 0.964 150 S CB -0.566 62.430 63.200 -0.341 0.000 0.763 150 S HN 0.637 nan 8.310 nan 0.000 0.512 151 T N 0.916 115.289 114.554 -0.301 0.000 2.746 151 T HA -0.057 4.293 4.350 0.000 0.000 0.267 151 T C -0.078 174.251 174.700 -0.618 0.000 1.039 151 T CA 1.029 62.811 62.100 -0.529 0.000 1.142 151 T CB -0.264 68.153 68.868 -0.751 0.000 0.866 151 T HN 0.463 nan 8.240 nan 0.000 0.444 152 Y N 2.009 122.196 120.300 -0.188 0.000 2.425 152 Y HA 0.398 4.948 4.550 0.000 0.000 0.347 152 Y C 0.166 175.932 175.900 -0.224 0.000 0.976 152 Y CA -1.717 56.141 58.100 -0.403 0.000 1.190 152 Y CB 0.309 38.329 38.460 -0.733 0.000 1.136 152 Y HN -0.037 nan 8.280 nan 0.000 0.517 153 D N 2.212 122.529 120.400 -0.138 0.000 2.308 153 D HA 0.187 4.827 4.640 0.000 0.000 0.251 153 D C 0.830 176.912 176.300 -0.364 0.000 1.127 153 D CA -0.181 53.724 54.000 -0.159 0.000 0.876 153 D CB 1.727 42.477 40.800 -0.084 0.000 1.176 153 D HN 0.811 nan 8.370 nan 0.000 0.446 154 G N 2.920 111.007 108.800 -1.190 0.000 3.233 154 G HA2 -0.035 3.925 3.960 0.000 0.000 0.234 154 G HA3 -0.035 3.925 3.960 0.000 0.000 0.234 154 G C 1.215 175.738 174.900 -0.628 0.000 1.137 154 G CA -0.153 44.354 45.100 -0.989 0.000 0.763 154 G HN 0.462 nan 8.290 nan 0.000 0.549 155 L N 1.613 122.571 121.223 -0.441 0.000 1.994 155 L HA 0.097 4.437 4.340 0.000 0.000 0.208 155 L C 2.957 179.748 176.870 -0.131 0.000 1.071 155 L CA 2.439 57.208 54.840 -0.119 0.000 0.745 155 L CB -0.665 41.384 42.059 -0.016 0.000 0.892 155 L HN 0.201 nan 8.230 nan 0.000 0.431 156 A N -0.617 122.125 122.820 -0.129 0.000 1.849 156 A HA -0.276 4.044 4.320 0.000 0.000 0.217 156 A C 2.309 179.780 177.584 -0.188 0.000 1.202 156 A CA 2.364 54.312 52.037 -0.149 0.000 0.629 156 A CB -1.278 17.640 19.000 -0.137 0.000 0.834 156 A HN 0.467 nan 8.150 nan 0.000 0.447 157 L N -0.534 120.577 121.223 -0.188 0.000 1.989 157 L HA -0.151 4.189 4.340 0.000 0.000 0.211 157 L C 2.911 179.717 176.870 -0.106 0.000 1.071 157 L CA 2.230 56.965 54.840 -0.174 0.000 0.749 157 L CB -0.659 41.272 42.059 -0.214 0.000 0.890 157 L HN 0.420 nan 8.230 nan 0.000 0.431 158 A N -0.776 122.001 122.820 -0.072 0.000 1.865 158 A HA -0.226 4.094 4.320 0.000 0.000 0.217 158 A C 2.424 179.965 177.584 -0.073 0.000 1.191 158 A CA 2.268 54.302 52.037 -0.005 0.000 0.623 158 A CB -1.307 17.743 19.000 0.084 0.000 0.826 158 A HN 0.555 nan 8.150 nan 0.000 0.444 159 A N -1.090 121.606 122.820 -0.206 0.000 1.841 159 A HA -0.232 4.088 4.320 0.000 0.000 0.216 159 A C 2.124 179.364 177.584 -0.573 0.000 1.199 159 A CA 1.717 53.444 52.037 -0.517 0.000 0.621 159 A CB -1.209 17.238 19.000 -0.922 0.000 0.835 159 A HN 0.691 nan 8.150 nan 0.000 0.445 160 H N -0.499 118.229 119.070 -0.570 0.000 2.289 160 H HA -0.091 4.465 4.556 0.000 0.000 0.296 160 H C 1.299 176.603 175.328 -0.039 0.000 1.091 160 H CA 1.794 57.703 56.048 -0.233 0.000 1.274 160 H CB 0.081 29.640 29.762 -0.338 0.000 1.364 160 H HN 0.440 nan 8.280 nan 0.000 0.490 161 E N 0.422 120.649 120.200 0.045 0.000 2.474 161 E HA 0.011 4.361 4.350 0.000 0.000 0.195 161 E C -0.108 176.518 176.600 0.042 0.000 1.039 161 E CA -0.287 56.139 56.400 0.044 0.000 0.881 161 E CB -0.237 29.475 29.700 0.020 0.000 0.970 161 E HN 0.368 nan 8.360 nan 0.000 0.486 162 N N 0.731 119.454 118.700 0.039 0.000 2.573 162 N HA -0.163 4.577 4.740 0.000 0.000 0.280 162 N C -0.860 174.684 175.510 0.057 0.000 1.187 162 N CA 0.724 53.807 53.050 0.056 0.000 0.717 162 N CB -0.671 37.860 38.487 0.073 0.000 0.899 162 N HN 0.016 nan 8.380 nan 0.000 0.546 163 V N -1.988 117.962 119.914 0.060 0.000 3.087 163 V HA 0.580 4.700 4.120 0.000 0.000 0.306 163 V C 0.144 176.305 176.094 0.112 0.000 1.187 163 V CA -1.026 61.318 62.300 0.074 0.000 0.999 163 V CB 2.165 34.017 31.823 0.049 0.000 1.049 163 V HN -0.099 nan 8.190 nan 0.000 0.431 164 V N 3.113 123.111 119.914 0.140 0.000 2.389 164 V HA 0.360 4.480 4.120 0.000 0.000 0.264 164 V C 0.246 176.471 176.094 0.218 0.000 1.049 164 V CA -0.114 62.298 62.300 0.187 0.000 0.932 164 V CB 1.055 32.986 31.823 0.181 0.000 1.011 164 V HN 0.716 nan 8.190 nan 0.000 0.475 165 V N 6.289 126.367 119.914 0.273 0.000 2.481 165 V HA 0.483 4.603 4.120 0.000 0.000 0.286 165 V C -0.049 176.288 176.094 0.404 0.000 1.042 165 V CA -0.428 62.072 62.300 0.333 0.000 0.928 165 V CB 1.874 33.869 31.823 0.287 0.000 0.986 165 V HN 0.579 nan 8.190 nan 0.000 0.462 166 V N 3.437 123.583 119.914 0.388 0.000 2.482 166 V HA 0.433 4.553 4.120 0.000 0.000 0.295 166 V C 0.070 176.369 176.094 0.343 0.000 1.026 166 V CA -0.565 61.925 62.300 0.317 0.000 0.856 166 V CB 2.079 34.035 31.823 0.221 0.000 1.001 166 V HN 0.995 nan 8.190 nan 0.000 0.424 167 T N 3.698 118.467 114.554 0.359 0.000 2.753 167 T HA 0.753 5.103 4.350 0.000 0.000 0.297 167 T C -0.303 174.542 174.700 0.241 0.000 0.981 167 T CA -0.430 61.905 62.100 0.391 0.000 0.956 167 T CB 0.685 69.848 68.868 0.492 0.000 0.936 167 T HN 0.647 nan 8.240 nan 0.000 0.463 168 I N 0.600 121.272 120.570 0.170 0.000 2.793 168 I HA 0.658 4.828 4.170 0.000 0.000 0.313 168 I C -0.417 175.844 176.117 0.239 0.000 0.998 168 I CA -1.191 60.145 61.300 0.060 0.000 1.140 168 I CB 1.635 39.562 38.000 -0.122 0.000 1.327 168 I HN 0.524 nan 8.210 nan 0.000 0.491 169 Q N 2.021 121.986 119.800 0.275 0.000 2.458 169 Q HA 0.559 4.899 4.340 0.000 0.000 0.282 169 Q C -1.894 174.417 176.000 0.519 0.000 1.106 169 Q CA -0.802 55.249 55.803 0.414 0.000 0.814 169 Q CB 2.894 31.830 28.738 0.331 0.000 1.425 169 Q HN 0.766 nan 8.270 nan 0.000 0.437 170 Y N -2.785 117.680 120.300 0.276 0.000 2.558 170 Y HA 0.497 5.047 4.550 0.000 0.000 0.333 170 Y C -0.919 175.093 175.900 0.186 0.000 1.125 170 Y CA -1.342 56.888 58.100 0.217 0.000 1.039 170 Y CB 0.739 39.280 38.460 0.135 0.000 1.331 170 Y HN 0.440 nan 8.280 nan 0.000 0.456 171 R N 2.238 122.822 120.500 0.139 0.000 2.698 171 R HA 0.437 4.777 4.340 0.000 0.000 0.266 171 R C -0.857 175.532 176.300 0.148 0.000 1.026 171 R CA 0.148 56.300 56.100 0.087 0.000 1.102 171 R CB 0.263 30.637 30.300 0.123 0.000 0.978 171 R HN 0.739 nan 8.270 nan 0.000 0.436 172 L N 0.358 121.704 121.223 0.206 0.000 2.283 172 L HA 0.500 4.840 4.340 0.000 0.000 0.259 172 L C 1.109 178.257 176.870 0.463 0.000 1.027 172 L CA -0.672 54.375 54.840 0.345 0.000 0.828 172 L CB 1.561 43.715 42.059 0.159 0.000 1.380 172 L HN 0.886 nan 8.230 nan 0.000 0.425 173 G N 0.411 109.444 108.800 0.389 0.000 2.578 173 G HA2 -0.328 3.632 3.960 0.000 0.000 0.313 173 G HA3 -0.328 3.632 3.960 0.000 0.000 0.313 173 G C 0.929 176.011 174.900 0.303 0.000 1.324 173 G CA 0.630 45.855 45.100 0.208 0.000 0.955 173 G HN 0.699 nan 8.290 nan 0.000 0.541 174 I N -0.959 119.679 120.570 0.114 0.000 2.121 174 I HA -0.309 3.861 4.170 0.000 0.000 0.243 174 I C 2.808 179.099 176.117 0.289 0.000 1.047 174 I CA 2.835 64.198 61.300 0.105 0.000 1.308 174 I CB -0.438 37.410 38.000 -0.252 0.000 1.015 174 I HN 0.576 nan 8.210 nan 0.000 0.410 175 W N 0.634 122.094 121.300 0.267 0.000 2.321 175 W HA -0.152 4.508 4.660 0.000 0.000 0.306 175 W C 2.308 178.971 176.519 0.239 0.000 1.217 175 W CA 1.553 58.987 57.345 0.148 0.000 1.257 175 W CB -0.890 28.567 29.460 -0.004 0.000 1.145 175 W HN 0.283 nan 8.180 nan 0.000 0.509 176 G N -2.967 106.105 108.800 0.453 0.000 3.192 176 G HA2 0.157 4.117 3.960 0.000 0.000 0.239 176 G HA3 0.157 4.117 3.960 0.000 0.000 0.239 176 G C 0.329 175.006 174.900 -0.372 0.000 1.084 176 G CA -0.129 45.064 45.100 0.156 0.000 0.784 176 G HN 0.091 nan 8.290 nan 0.000 0.540 177 F N -0.521 119.662 119.950 0.388 0.000 2.859 177 F HA 0.401 4.928 4.527 0.000 0.000 0.324 177 F C -0.134 175.740 175.800 0.122 0.000 1.158 177 F CA -1.461 56.612 58.000 0.120 0.000 1.147 177 F CB 0.483 39.486 39.000 0.006 0.000 1.137 177 F HN 0.024 nan 8.300 nan 0.000 0.516 178 F N 2.218 122.337 119.950 0.281 0.000 2.434 178 F HA 0.497 5.024 4.527 0.000 0.000 0.358 178 F C 0.315 176.149 175.800 0.056 0.000 1.136 178 F CA -0.285 57.779 58.000 0.106 0.000 1.157 178 F CB 0.366 39.313 39.000 -0.088 0.000 1.167 178 F HN -0.071 nan 8.300 nan 0.000 0.539 179 S N 3.426 118.762 115.700 -0.608 0.000 2.513 179 S HA 0.424 4.894 4.470 0.000 0.000 0.299 179 S C 0.475 174.679 174.600 -0.661 0.000 1.087 179 S CA -0.018 57.882 58.200 -0.501 0.000 1.012 179 S CB 1.507 64.526 63.200 -0.302 0.000 1.044 179 S HN 0.752 nan 8.310 nan 0.000 0.485 180 T N 0.376 114.685 114.554 -0.408 0.000 3.069 180 T HA 0.436 4.786 4.350 0.000 0.000 0.252 180 T C 1.463 176.084 174.700 -0.131 0.000 1.053 180 T CA 0.584 62.527 62.100 -0.262 0.000 0.964 180 T CB -0.025 68.795 68.868 -0.079 0.000 1.005 180 T HN 1.755 nan 8.240 nan 0.000 0.532 181 G N 1.898 110.619 108.800 -0.132 0.000 2.225 181 G HA2 -0.222 3.738 3.960 0.000 0.000 0.254 181 G HA3 -0.222 3.738 3.960 0.000 0.000 0.254 181 G C -0.314 174.552 174.900 -0.057 0.000 0.988 181 G CA 0.242 45.290 45.100 -0.088 0.000 0.625 181 G HN 0.807 nan 8.290 nan 0.000 0.527 182 D N -0.752 119.628 120.400 -0.033 0.000 2.553 182 D HA 0.555 5.195 4.640 0.000 0.000 0.249 182 D C 1.307 177.584 176.300 -0.037 0.000 1.062 182 D CA -0.210 53.771 54.000 -0.033 0.000 1.085 182 D CB 0.393 41.188 40.800 -0.007 0.000 1.350 182 D HN 0.067 nan 8.370 nan 0.000 0.575 183 E N 0.181 120.312 120.200 -0.114 0.000 2.331 183 E HA -0.276 4.074 4.350 0.000 0.000 0.199 183 E C 0.844 177.430 176.600 -0.024 0.000 1.008 183 E CA 1.312 57.655 56.400 -0.095 0.000 0.843 183 E CB -0.547 29.059 29.700 -0.156 0.000 0.761 183 E HN 0.520 nan 8.360 nan 0.000 0.507 184 H N 0.493 119.614 119.070 0.086 0.000 2.521 184 H HA 0.106 4.662 4.556 0.000 0.000 0.286 184 H C 0.423 175.863 175.328 0.186 0.000 1.034 184 H CA 1.290 57.407 56.048 0.114 0.000 1.278 184 H CB 0.303 30.119 29.762 0.090 0.000 1.386 184 H HN 0.168 nan 8.280 nan 0.000 0.567 185 S N -0.586 115.298 115.700 0.306 0.000 2.908 185 S HA 0.148 4.618 4.470 0.000 0.000 0.140 185 S C 0.806 175.531 174.600 0.208 0.000 0.890 185 S CA -0.579 57.885 58.200 0.441 0.000 0.995 185 S CB -0.064 63.390 63.200 0.424 0.000 1.660 185 S HN 0.197 nan 8.310 nan 0.000 0.507 186 R N 1.415 121.961 120.500 0.076 0.000 2.113 186 R HA 0.153 4.493 4.340 0.000 0.000 0.244 186 R C 1.549 177.600 176.300 -0.415 0.000 1.142 186 R CA 1.503 57.502 56.100 -0.169 0.000 0.953 186 R CB -0.340 29.860 30.300 -0.167 0.000 0.860 186 R HN 0.921 nan 8.270 nan 0.000 0.438 187 G N -0.686 107.521 108.800 -0.989 0.000 2.447 187 G HA2 -0.219 3.741 3.960 0.000 0.000 0.220 187 G HA3 -0.219 3.741 3.960 0.000 0.000 0.220 187 G C -0.780 173.334 174.900 -1.310 0.000 1.261 187 G CA -0.385 43.942 45.100 -1.288 0.000 1.000 187 G HN 0.271 nan 8.290 nan 0.000 0.515 188 N N -0.846 117.406 118.700 -0.746 0.000 2.725 188 N HA -0.201 4.539 4.740 0.000 0.000 0.249 188 N C 1.159 176.371 175.510 -0.497 0.000 1.103 188 N CA 1.899 54.696 53.050 -0.421 0.000 0.707 188 N CB -1.453 36.978 38.487 -0.094 0.000 1.043 188 N HN 0.689 nan 8.380 nan 0.000 0.553 189 W N 0.353 121.487 121.300 -0.278 0.000 2.338 189 W HA -0.093 4.567 4.660 0.000 0.000 0.304 189 W C 2.483 178.857 176.519 -0.242 0.000 1.212 189 W CA 0.767 58.006 57.345 -0.177 0.000 1.264 189 W CB -0.653 28.759 29.460 -0.081 0.000 1.142 189 W HN 0.302 nan 8.180 nan 0.000 0.512 190 G N -0.199 108.331 108.800 -0.451 0.000 2.418 190 G HA2 -0.269 3.691 3.960 0.000 0.000 0.217 190 G HA3 -0.269 3.691 3.960 0.000 0.000 0.217 190 G C 1.240 176.147 174.900 0.011 0.000 1.158 190 G CA 1.362 46.339 45.100 -0.204 0.000 0.771 190 G HN 0.265 nan 8.290 nan 0.000 0.545 191 H N 0.400 119.454 119.070 -0.025 0.000 2.357 191 H HA 0.087 4.643 4.556 0.000 0.000 0.301 191 H C 2.724 178.061 175.328 0.015 0.000 1.082 191 H CA 0.788 56.837 56.048 0.000 0.000 1.342 191 H CB -0.420 29.352 29.762 0.016 0.000 1.389 191 H HN 0.249 nan 8.280 nan 0.000 0.511 192 L N 0.367 121.690 121.223 0.166 0.000 2.265 192 L HA -0.154 4.186 4.340 0.000 0.000 0.215 192 L C 1.790 178.777 176.870 0.196 0.000 1.117 192 L CA 0.908 55.844 54.840 0.160 0.000 0.782 192 L CB -0.199 41.965 42.059 0.175 0.000 0.914 192 L HN 0.119 nan 8.230 nan 0.000 0.441 193 D N -0.255 120.277 120.400 0.221 0.000 2.162 193 D HA -0.134 4.506 4.640 0.000 0.000 0.203 193 D C 2.307 178.814 176.300 0.344 0.000 0.967 193 D CA 0.890 55.084 54.000 0.322 0.000 0.840 193 D CB 0.020 41.020 40.800 0.333 0.000 0.972 193 D HN 0.368 nan 8.370 nan 0.000 0.482 194 Q N 0.042 119.951 119.800 0.182 0.000 2.167 194 Q HA -0.051 4.289 4.340 0.000 0.000 0.202 194 Q C 2.191 178.208 176.000 0.029 0.000 0.970 194 Q CA 0.724 56.543 55.803 0.027 0.000 0.855 194 Q CB 0.198 28.869 28.738 -0.112 0.000 0.911 194 Q HN 0.165 nan 8.270 nan 0.000 0.438 195 V N 0.864 120.830 119.914 0.087 0.000 2.453 195 V HA -0.183 3.937 4.120 0.000 0.000 0.247 195 V C 2.230 178.411 176.094 0.145 0.000 1.048 195 V CA 1.614 63.967 62.300 0.088 0.000 1.049 195 V CB -0.805 31.072 31.823 0.090 0.000 0.672 195 V HN 0.362 nan 8.190 nan 0.000 0.457 196 A N 0.108 123.068 122.820 0.233 0.000 1.969 196 A HA -0.033 4.287 4.320 0.000 0.000 0.218 196 A C 2.400 180.212 177.584 0.379 0.000 1.169 196 A CA 1.839 54.075 52.037 0.332 0.000 0.635 196 A CB -0.584 18.660 19.000 0.406 0.000 0.810 196 A HN 0.534 nan 8.150 nan 0.000 0.445 197 A N -0.038 122.865 122.820 0.138 0.000 1.873 197 A HA -0.016 4.304 4.320 0.000 0.000 0.215 197 A C 2.138 179.722 177.584 0.001 0.000 1.186 197 A CA 1.414 53.222 52.037 -0.382 0.000 0.616 197 A CB -0.625 17.835 19.000 -0.900 0.000 0.823 197 A HN 0.455 nan 8.150 nan 0.000 0.442 198 L N -1.226 120.019 121.223 0.037 0.000 2.083 198 L HA -0.178 4.162 4.340 0.000 0.000 0.209 198 L C 2.819 179.780 176.870 0.153 0.000 1.083 198 L CA 1.519 56.418 54.840 0.099 0.000 0.752 198 L CB -0.457 41.649 42.059 0.078 0.000 0.899 198 L HN 0.378 nan 8.230 nan 0.000 0.433 199 R N -0.879 119.722 120.500 0.167 0.000 2.120 199 R HA -0.231 4.109 4.340 0.000 0.000 0.234 199 R C 2.146 178.558 176.300 0.187 0.000 1.123 199 R CA 1.690 57.885 56.100 0.158 0.000 0.975 199 R CB -0.283 30.114 30.300 0.162 0.000 0.866 199 R HN 0.425 nan 8.270 nan 0.000 0.446 200 W N -0.035 121.314 121.300 0.083 0.000 2.436 200 W HA -0.131 4.529 4.660 0.000 0.000 0.284 200 W C 1.580 178.136 176.519 0.061 0.000 1.225 200 W CA 0.786 58.184 57.345 0.089 0.000 1.271 200 W CB 0.004 29.547 29.460 0.139 0.000 1.114 200 W HN -0.212 nan 8.180 nan 0.000 0.559 201 V N 1.009 121.107 119.914 0.306 0.000 2.270 201 V HA -0.332 3.788 4.120 0.000 0.000 0.245 201 V C 2.465 178.569 176.094 0.017 0.000 1.043 201 V CA 2.045 64.457 62.300 0.186 0.000 1.014 201 V CB -0.990 30.961 31.823 0.214 0.000 0.645 201 V HN 0.144 nan 8.190 nan 0.000 0.447 202 Q N -0.240 119.584 119.800 0.039 0.000 2.291 202 Q HA -0.147 4.193 4.340 0.000 0.000 0.206 202 Q C 1.368 177.325 176.000 -0.072 0.000 0.976 202 Q CA 1.147 56.957 55.803 0.010 0.000 0.875 202 Q CB -0.404 28.357 28.738 0.038 0.000 0.927 202 Q HN 0.663 nan 8.270 nan 0.000 0.450 203 D N -0.827 119.477 120.400 -0.161 0.000 2.398 203 D HA 0.122 4.762 4.640 0.000 0.000 0.210 203 D C 0.688 176.746 176.300 -0.404 0.000 1.094 203 D CA 0.020 53.875 54.000 -0.241 0.000 0.839 203 D CB 0.544 41.211 40.800 -0.222 0.000 0.963 203 D HN 0.208 nan 8.370 nan 0.000 0.506 204 N N -0.010 118.382 118.700 -0.514 0.000 2.357 204 N HA -0.008 4.732 4.740 0.000 0.000 0.260 204 N C 1.611 176.968 175.510 -0.256 0.000 1.035 204 N CA -0.224 52.459 53.050 -0.612 0.000 0.839 204 N CB 0.778 38.348 38.487 -1.528 0.000 1.723 204 N HN -0.078 nan 8.380 nan 0.000 0.617 205 I N 3.046 123.522 120.570 -0.157 0.000 2.358 205 I HA -0.312 3.858 4.170 0.000 0.000 0.257 205 I C 2.163 178.362 176.117 0.136 0.000 1.123 205 I CA 1.167 62.528 61.300 0.103 0.000 1.393 205 I CB -0.261 37.800 38.000 0.103 0.000 1.073 205 I HN 0.192 nan 8.210 nan 0.000 0.437 206 A N -1.003 121.831 122.820 0.024 0.000 1.892 206 A HA -0.277 4.043 4.320 0.000 0.000 0.218 206 A C 2.451 180.039 177.584 0.007 0.000 1.188 206 A CA 2.432 54.475 52.037 0.009 0.000 0.631 206 A CB -1.198 17.777 19.000 -0.041 0.000 0.822 206 A HN 0.483 nan 8.150 nan 0.000 0.447 207 S N -0.991 114.677 115.700 -0.053 0.000 2.419 207 S HA -0.078 4.392 4.470 0.000 0.000 0.233 207 S C 0.984 175.460 174.600 -0.207 0.000 1.016 207 S CA 1.171 59.266 58.200 -0.175 0.000 0.974 207 S CB -0.440 62.560 63.200 -0.332 0.000 0.786 207 S HN 0.541 nan 8.310 nan 0.000 0.492 208 F N 0.908 120.841 119.950 -0.029 0.000 2.664 208 F HA 0.359 4.886 4.527 0.000 0.000 0.301 208 F C 1.703 177.547 175.800 0.074 0.000 1.126 208 F CA 0.064 58.079 58.000 0.024 0.000 1.373 208 F CB -0.182 38.832 39.000 0.024 0.000 1.042 208 F HN 0.259 nan 8.300 nan 0.000 0.535 209 G N 0.058 108.966 108.800 0.180 0.000 2.157 209 G HA2 -0.176 3.784 3.960 0.000 0.000 0.239 209 G HA3 -0.176 3.784 3.960 0.000 0.000 0.239 209 G C 0.546 175.526 174.900 0.133 0.000 0.982 209 G CA -0.269 44.917 45.100 0.143 0.000 0.650 209 G HN 0.743 nan 8.290 nan 0.000 0.527 210 G N -0.441 108.447 108.800 0.146 0.000 2.389 210 G HA2 0.489 4.449 3.960 0.000 0.000 0.317 210 G HA3 0.489 4.449 3.960 0.000 0.000 0.317 210 G C -0.263 174.682 174.900 0.076 0.000 1.137 210 G CA -0.145 45.026 45.100 0.119 0.000 0.870 210 G HN 0.456 nan 8.290 nan 0.000 0.496 211 N N 2.286 121.021 118.700 0.060 0.000 2.645 211 N HA 0.261 5.002 4.740 0.000 0.000 0.233 211 N C -0.923 174.606 175.510 0.033 0.000 1.058 211 N CA -2.471 50.595 53.050 0.028 0.000 0.942 211 N CB 1.512 40.001 38.487 0.005 0.000 1.210 211 N HN 0.138 nan 8.380 nan 0.000 0.512 212 P HA -0.121 nan 4.420 nan 0.000 0.223 212 P C 0.909 178.256 177.300 0.078 0.000 1.140 212 P CA 0.914 64.050 63.100 0.061 0.000 0.783 212 P CB 0.118 31.834 31.700 0.027 0.000 0.759 213 G N -1.123 107.666 108.800 -0.018 0.000 2.880 213 G HA2 -0.016 3.944 3.960 0.000 0.000 0.209 213 G HA3 -0.016 3.944 3.960 0.000 0.000 0.209 213 G C 0.671 175.307 174.900 -0.440 0.000 1.157 213 G CA 0.143 45.137 45.100 -0.177 0.000 0.779 213 G HN 0.353 nan 8.290 nan 0.000 0.539 214 S N 0.444 116.062 115.700 -0.137 0.000 2.112 214 S HA 0.468 4.938 4.470 0.000 0.000 0.151 214 S C -0.568 174.100 174.600 0.114 0.000 1.723 214 S CA -0.495 57.654 58.200 -0.084 0.000 1.263 214 S CB 0.137 63.286 63.200 -0.085 0.000 1.194 214 S HN 0.020 nan 8.310 nan 0.000 0.419 215 V N 2.729 122.833 119.914 0.317 0.000 2.427 215 V HA 0.598 4.718 4.120 0.000 0.000 0.286 215 V C 0.249 176.510 176.094 0.278 0.000 1.034 215 V CA -0.571 61.892 62.300 0.272 0.000 0.893 215 V CB 1.504 33.491 31.823 0.274 0.000 0.982 215 V HN 0.583 nan 8.190 nan 0.000 0.452 216 T N 5.983 120.677 114.554 0.233 0.000 2.812 216 T HA 0.651 5.001 4.350 0.000 0.000 0.282 216 T C -0.208 174.682 174.700 0.316 0.000 0.990 216 T CA -0.242 62.000 62.100 0.237 0.000 0.960 216 T CB 1.204 70.142 68.868 0.117 0.000 0.948 216 T HN 0.688 nan 8.240 nan 0.000 0.438 217 I N 1.074 121.819 120.570 0.292 0.000 2.498 217 I HA 0.926 5.096 4.170 0.000 0.000 0.301 217 I C -1.065 175.320 176.117 0.447 0.000 0.984 217 I CA -1.151 60.315 61.300 0.278 0.000 1.204 217 I CB 1.335 39.287 38.000 -0.080 0.000 1.362 217 I HN 0.557 nan 8.210 nan 0.000 0.471 218 F N 2.242 122.256 119.950 0.106 0.000 2.650 218 F HA 0.949 5.476 4.527 0.000 0.000 0.310 218 F C -0.578 175.245 175.800 0.039 0.000 1.112 218 F CA -1.237 56.869 58.000 0.177 0.000 0.986 218 F CB 1.089 40.305 39.000 0.360 0.000 1.285 218 F HN 0.827 nan 8.300 nan 0.000 0.440 219 G N 1.046 109.760 108.800 -0.144 0.000 2.692 219 G HA2 0.528 4.488 3.960 0.000 0.000 0.291 219 G HA3 0.528 4.488 3.960 0.000 0.000 0.291 219 G C -2.406 172.331 174.900 -0.272 0.000 1.423 219 G CA -0.757 43.852 45.100 -0.817 0.000 0.843 219 G HN 0.819 nan 8.290 nan 0.000 0.486 220 E N 0.142 120.151 120.200 -0.319 0.000 2.235 220 E HA 0.641 4.991 4.350 0.000 0.000 0.265 220 E C 0.793 177.409 176.600 0.027 0.000 0.940 220 E CA 0.384 56.794 56.400 0.016 0.000 0.819 220 E CB 2.125 31.898 29.700 0.122 0.000 1.206 220 E HN 0.919 nan 8.360 nan 0.000 0.409 221 S N 2.272 118.061 115.700 0.148 0.000 4.054 221 S HA -0.387 4.083 4.470 0.000 0.000 0.618 221 S C 1.424 176.146 174.600 0.202 0.000 2.026 221 S CA 2.178 60.597 58.200 0.365 0.000 4.205 221 S CB -1.609 61.894 63.200 0.504 0.000 0.233 221 S HN 0.957 nan 8.310 nan 0.000 0.612 222 A N 1.023 123.940 122.820 0.162 0.000 2.019 222 A HA 0.207 4.527 4.320 0.000 0.000 0.219 222 A C 2.558 180.111 177.584 -0.051 0.000 1.164 222 A CA 2.249 54.313 52.037 0.047 0.000 0.644 222 A CB -1.632 17.397 19.000 0.048 0.000 0.805 222 A HN 1.716 nan 8.150 nan 0.000 0.449 223 G N -0.557 108.177 108.800 -0.109 0.000 2.432 223 G HA2 0.052 4.012 3.960 0.000 0.000 0.219 223 G HA3 0.052 4.012 3.960 0.000 0.000 0.219 223 G C 1.427 176.159 174.900 -0.280 0.000 1.135 223 G CA 1.186 46.089 45.100 -0.329 0.000 0.767 223 G HN 0.644 nan 8.290 nan 0.000 0.550 224 G N 0.345 109.065 108.800 -0.134 0.000 2.394 224 G HA2 -0.141 3.819 3.960 0.000 0.000 0.214 224 G HA3 -0.141 3.819 3.960 0.000 0.000 0.214 224 G C 1.523 176.399 174.900 -0.040 0.000 1.176 224 G CA 1.051 46.122 45.100 -0.048 0.000 0.786 224 G HN 0.421 nan 8.290 nan 0.000 0.533 225 E N 1.256 121.438 120.200 -0.031 0.000 2.070 225 E HA -0.183 4.167 4.350 0.000 0.000 0.197 225 E C 2.628 179.176 176.600 -0.087 0.000 1.004 225 E CA 1.655 58.029 56.400 -0.044 0.000 0.805 225 E CB -0.314 29.361 29.700 -0.042 0.000 0.744 225 E HN 0.395 nan 8.360 nan 0.000 0.451 226 S N 0.545 116.183 115.700 -0.102 0.000 2.365 226 S HA -0.178 4.292 4.470 0.000 0.000 0.225 226 S C 2.258 176.712 174.600 -0.243 0.000 1.039 226 S CA 1.559 59.667 58.200 -0.153 0.000 1.033 226 S CB -0.727 62.345 63.200 -0.213 0.000 0.887 226 S HN 0.152 nan 8.310 nan 0.000 0.447 227 V N 1.761 121.543 119.914 -0.220 0.000 2.219 227 V HA -0.240 3.880 4.120 0.000 0.000 0.248 227 V C 2.735 178.690 176.094 -0.231 0.000 1.053 227 V CA 2.210 64.366 62.300 -0.240 0.000 1.009 227 V CB -1.218 30.543 31.823 -0.103 0.000 0.636 227 V HN 0.603 nan 8.190 nan 0.000 0.445 228 S N -0.631 115.013 115.700 -0.094 0.000 2.372 228 S HA -0.235 4.235 4.470 0.000 0.000 0.227 228 S C 1.983 176.498 174.600 -0.142 0.000 1.044 228 S CA 2.139 60.300 58.200 -0.065 0.000 1.050 228 S CB -0.402 62.826 63.200 0.046 0.000 0.901 228 S HN 0.304 nan 8.310 nan 0.000 0.447 229 V N 2.053 121.858 119.914 -0.181 0.000 2.282 229 V HA -0.213 3.907 4.120 0.000 0.000 0.249 229 V C 2.423 178.390 176.094 -0.211 0.000 1.057 229 V CA 2.195 64.354 62.300 -0.234 0.000 1.032 229 V CB -0.708 30.863 31.823 -0.420 0.000 0.645 229 V HN 0.496 nan 8.190 nan 0.000 0.447 230 L N -0.614 120.454 121.223 -0.258 0.000 1.989 230 L HA -0.191 4.149 4.340 0.000 0.000 0.211 230 L C 2.486 179.363 176.870 0.011 0.000 1.071 230 L CA 1.438 56.156 54.840 -0.203 0.000 0.749 230 L CB -0.762 41.033 42.059 -0.441 0.000 0.890 230 L HN 0.193 nan 8.230 nan 0.000 0.431 231 V N 0.166 120.062 119.914 -0.031 0.000 2.453 231 V HA -0.291 3.829 4.120 0.000 0.000 0.252 231 V C 2.193 178.401 176.094 0.190 0.000 1.068 231 V CA 1.705 64.134 62.300 0.216 0.000 1.070 231 V CB -0.374 31.314 31.823 -0.225 0.000 0.664 231 V HN 0.382 nan 8.190 nan 0.000 0.461 232 L N -1.024 120.233 121.223 0.056 0.000 2.416 232 L HA 0.144 4.484 4.340 0.000 0.000 0.216 232 L C 1.365 178.247 176.870 0.019 0.000 1.098 232 L CA 0.197 55.055 54.840 0.031 0.000 0.840 232 L CB -0.034 42.002 42.059 -0.038 0.000 0.981 232 L HN 0.215 nan 8.230 nan 0.000 0.462 233 S N 0.210 115.932 115.700 0.035 0.000 2.548 233 S HA 0.163 4.633 4.470 0.000 0.000 0.277 233 S C -1.575 173.091 174.600 0.109 0.000 1.315 233 S CA -1.220 56.994 58.200 0.023 0.000 1.050 233 S CB 1.106 64.298 63.200 -0.013 0.000 0.918 233 S HN -0.093 nan 8.310 nan 0.000 0.497 234 P HA 0.035 nan 4.420 nan 0.000 0.220 234 P C 1.194 178.555 177.300 0.101 0.000 1.152 234 P CA 0.757 63.965 63.100 0.180 0.000 0.812 234 P CB 0.086 31.862 31.700 0.127 0.000 0.792 235 L N -0.779 120.481 121.223 0.063 0.000 2.056 235 L HA -0.091 4.249 4.340 0.000 0.000 0.207 235 L C 2.390 179.292 176.870 0.054 0.000 1.078 235 L CA 1.398 56.266 54.840 0.047 0.000 0.749 235 L CB -1.306 40.779 42.059 0.043 0.000 0.901 235 L HN -0.075 nan 8.230 nan 0.000 0.433 236 A N -0.097 122.779 122.820 0.094 0.000 2.178 236 A HA -0.159 4.161 4.320 0.000 0.000 0.218 236 A C 1.290 178.984 177.584 0.183 0.000 1.157 236 A CA 0.553 52.701 52.037 0.185 0.000 0.689 236 A CB -0.503 18.642 19.000 0.242 0.000 0.787 236 A HN 0.267 nan 8.150 nan 0.000 0.465 237 K N 0.197 120.580 120.400 -0.027 0.000 2.518 237 K HA -0.044 4.276 4.320 0.000 0.000 0.276 237 K C 0.345 176.787 176.600 -0.263 0.000 0.974 237 K CA 0.683 56.760 56.287 -0.349 0.000 0.986 237 K CB 0.086 32.307 32.500 -0.465 0.000 0.901 237 K HN 0.464 nan 8.250 nan 0.000 0.497 238 N N 1.157 119.630 118.700 -0.378 0.000 2.900 238 N HA -0.254 4.486 4.740 0.000 0.000 0.240 238 N C 0.470 175.849 175.510 -0.219 0.000 0.953 238 N CA 1.521 54.407 53.050 -0.273 0.000 0.950 238 N CB -1.089 37.306 38.487 -0.154 0.000 1.102 238 N HN 0.533 nan 8.380 nan 0.000 0.593 239 L N -0.664 120.484 121.223 -0.125 0.000 2.529 239 L HA 0.225 4.565 4.340 0.000 0.000 0.223 239 L C 0.326 177.276 176.870 0.133 0.000 1.113 239 L CA 0.277 55.151 54.840 0.057 0.000 0.861 239 L CB -0.051 42.116 42.059 0.179 0.000 1.012 239 L HN 0.187 nan 8.230 nan 0.000 0.461 240 F N -4.305 115.484 119.950 -0.269 0.000 2.654 240 F HA 0.441 4.968 4.527 0.000 0.000 0.308 240 F C 0.291 175.828 175.800 -0.438 0.000 1.108 240 F CA -1.084 56.773 58.000 -0.239 0.000 0.957 240 F CB 0.731 39.696 39.000 -0.058 0.000 1.309 240 F HN -0.120 nan 8.300 nan 0.000 0.446 241 H N 0.456 119.528 119.070 0.004 0.000 2.893 241 H HA 0.438 4.994 4.556 0.000 0.000 0.270 241 H C -0.518 174.782 175.328 -0.047 0.000 1.095 241 H CA -0.120 55.868 56.048 -0.101 0.000 1.186 241 H CB 0.797 30.517 29.762 -0.071 0.000 1.562 241 H HN 0.537 nan 8.280 nan 0.000 0.536 242 R N 0.370 120.986 120.500 0.192 0.000 2.579 242 R HA 0.640 4.980 4.340 0.000 0.000 0.260 242 R C -1.491 175.020 176.300 0.351 0.000 1.103 242 R CA -0.563 55.625 56.100 0.147 0.000 0.942 242 R CB 2.310 32.536 30.300 -0.123 0.000 1.251 242 R HN 0.094 nan 8.270 nan 0.000 0.450 243 A N 3.063 126.134 122.820 0.419 0.000 2.435 243 A HA 0.838 5.158 4.320 0.000 0.000 0.304 243 A C -0.982 176.887 177.584 0.476 0.000 1.064 243 A CA -0.735 51.521 52.037 0.365 0.000 0.727 243 A CB 1.214 20.292 19.000 0.131 0.000 1.284 243 A HN 0.637 nan 8.150 nan 0.000 0.415 244 I N 1.550 122.326 120.570 0.344 0.000 2.468 244 I HA 0.243 4.413 4.170 0.000 0.000 0.284 244 I C -0.206 176.069 176.117 0.263 0.000 1.038 244 I CA -0.158 61.263 61.300 0.202 0.000 1.083 244 I CB 2.173 40.203 38.000 0.050 0.000 1.223 244 I HN 0.465 nan 8.210 nan 0.000 0.443 245 S N 5.392 121.202 115.700 0.183 0.000 2.404 245 S HA 0.299 4.769 4.470 0.000 0.000 0.309 245 S C -0.229 174.437 174.600 0.110 0.000 1.076 245 S CA -0.582 57.699 58.200 0.136 0.000 1.095 245 S CB 0.321 63.592 63.200 0.117 0.000 0.972 245 S HN 0.470 nan 8.310 nan 0.000 0.484 246 E N 1.928 122.249 120.200 0.202 0.000 2.115 246 E HA 0.299 4.649 4.350 0.000 0.000 0.282 246 E C -0.328 176.369 176.600 0.161 0.000 0.987 246 E CA -0.492 56.058 56.400 0.250 0.000 0.797 246 E CB 0.841 30.781 29.700 0.400 0.000 1.086 246 E HN 0.586 nan 8.360 nan 0.000 0.397 247 S N 2.228 118.005 115.700 0.128 0.000 3.527 247 S HA -0.117 4.353 4.470 0.000 0.000 0.409 247 S C 0.060 174.910 174.600 0.416 0.000 0.900 247 S CA 0.536 58.855 58.200 0.197 0.000 1.320 247 S CB -1.121 62.100 63.200 0.035 0.000 0.915 247 S HN 0.996 nan 8.310 nan 0.000 0.575 248 G N -0.811 108.179 108.800 0.317 0.000 2.196 248 G HA2 0.452 4.412 3.960 0.000 0.000 0.215 248 G HA3 0.452 4.412 3.960 0.000 0.000 0.215 248 G C -0.711 174.230 174.900 0.069 0.000 1.640 248 G CA -0.077 45.151 45.100 0.213 0.000 0.946 248 G HN 1.502 nan 8.290 nan 0.000 0.710 249 V N -0.305 119.610 119.914 0.002 0.000 3.145 249 V HA 0.963 5.083 4.120 0.000 0.000 0.311 249 V C 1.442 177.506 176.094 -0.049 0.000 1.238 249 V CA -0.009 62.286 62.300 -0.009 0.000 1.066 249 V CB 1.160 32.973 31.823 -0.016 0.000 1.144 249 V HN 2.029 nan 8.190 nan 0.000 0.465 250 A N -0.772 122.023 122.820 -0.042 0.000 2.167 250 A HA 0.298 4.618 4.320 0.000 0.000 0.214 250 A C 1.545 179.073 177.584 -0.093 0.000 1.151 250 A CA 0.901 52.895 52.037 -0.072 0.000 0.735 250 A CB -0.632 18.329 19.000 -0.066 0.000 0.802 250 A HN 0.750 nan 8.150 nan 0.000 0.467 251 L N 0.254 121.418 121.223 -0.098 0.000 2.653 251 L HA 0.060 4.400 4.340 0.000 0.000 0.231 251 L C 0.202 176.962 176.870 -0.183 0.000 1.153 251 L CA 0.024 54.785 54.840 -0.131 0.000 0.933 251 L CB -0.067 41.922 42.059 -0.116 0.000 1.175 251 L HN 0.118 nan 8.230 nan 0.000 0.473 252 T N 0.435 114.875 114.554 -0.191 0.000 4.475 252 T HA 0.033 4.383 4.350 0.000 0.000 0.254 252 T C 1.510 176.057 174.700 -0.255 0.000 1.160 252 T CA 0.389 62.329 62.100 -0.268 0.000 1.091 252 T CB -0.124 68.571 68.868 -0.288 0.000 1.377 252 T HN 0.514 nan 8.240 nan 0.000 1.057 253 S N 2.246 117.793 115.700 -0.255 0.000 2.331 253 S HA -0.315 4.155 4.470 0.000 0.000 0.358 253 S C 2.030 176.506 174.600 -0.206 0.000 1.150 253 S CA 1.827 59.886 58.200 -0.235 0.000 1.766 253 S CB -1.433 61.602 63.200 -0.274 0.000 1.490 253 S HN 0.500 nan 8.310 nan 0.000 0.490 254 V N 2.893 122.673 119.914 -0.223 0.000 2.243 254 V HA -0.277 3.843 4.120 0.000 0.000 0.258 254 V C 2.251 178.253 176.094 -0.152 0.000 1.073 254 V CA 2.738 64.931 62.300 -0.179 0.000 1.069 254 V CB -0.889 30.824 31.823 -0.184 0.000 0.681 254 V HN 0.646 nan 8.190 nan 0.000 0.457 255 L N -0.165 120.958 121.223 -0.165 0.000 2.651 255 L HA -0.002 4.338 4.340 0.000 0.000 0.236 255 L C 0.149 176.932 176.870 -0.144 0.000 1.173 255 L CA 0.208 54.952 54.840 -0.160 0.000 0.843 255 L CB -0.497 41.473 42.059 -0.149 0.000 0.964 255 L HN 0.291 nan 8.230 nan 0.000 0.454 256 V N -0.871 118.966 119.914 -0.127 0.000 2.709 256 V HA 0.365 4.485 4.120 0.000 0.000 0.308 256 V C -0.230 175.809 176.094 -0.092 0.000 1.062 256 V CA -1.079 61.162 62.300 -0.099 0.000 0.901 256 V CB 2.392 34.158 31.823 -0.095 0.000 1.003 256 V HN -0.095 nan 8.190 nan 0.000 0.425 257 K N 3.413 123.769 120.400 -0.073 0.000 2.240 257 K HA 0.604 4.924 4.320 0.000 0.000 0.271 257 K C -0.743 175.820 176.600 -0.061 0.000 1.018 257 K CA -0.447 55.802 56.287 -0.064 0.000 0.874 257 K CB 1.922 34.387 32.500 -0.058 0.000 1.098 257 K HN 0.603 nan 8.250 nan 0.000 0.458 258 K N 0.478 120.844 120.400 -0.056 0.000 2.316 258 K HA 0.641 4.961 4.320 0.000 0.000 0.251 258 K C 0.311 176.888 176.600 -0.038 0.000 0.934 258 K CA -0.413 55.843 56.287 -0.052 0.000 0.802 258 K CB 1.975 34.440 32.500 -0.059 0.000 1.171 258 K HN 0.749 nan 8.250 nan 0.000 0.426 259 G N 1.960 110.738 108.800 -0.036 0.000 2.715 259 G HA2 -0.218 3.742 3.960 0.000 0.000 0.221 259 G HA3 -0.218 3.742 3.960 0.000 0.000 0.221 259 G C -1.397 173.484 174.900 -0.031 0.000 1.204 259 G CA -0.344 44.739 45.100 -0.027 0.000 1.063 259 G HN 0.592 nan 8.290 nan 0.000 0.586 260 D N 0.506 120.890 120.400 -0.027 0.000 2.344 260 D HA 0.582 5.222 4.640 0.000 0.000 0.239 260 D C 1.562 177.838 176.300 -0.040 0.000 1.064 260 D CA 0.327 54.307 54.000 -0.032 0.000 0.829 260 D CB 1.724 42.511 40.800 -0.022 0.000 1.129 260 D HN 0.963 nan 8.370 nan 0.000 0.506 261 V N 2.204 122.082 119.914 -0.060 0.000 2.725 261 V HA 0.051 4.171 4.120 0.000 0.000 0.247 261 V C 2.235 178.278 176.094 -0.085 0.000 1.058 261 V CA 0.553 62.805 62.300 -0.080 0.000 1.080 261 V CB -0.535 31.216 31.823 -0.121 0.000 0.713 261 V HN 0.327 nan 8.190 nan 0.000 0.465 262 K N 1.868 122.223 120.400 -0.076 0.000 2.090 262 K HA -0.198 4.122 4.320 0.000 0.000 0.218 262 K C -0.053 176.523 176.600 -0.041 0.000 1.055 262 K CA 2.926 59.176 56.287 -0.062 0.000 0.941 262 K CB -1.832 30.648 32.500 -0.033 0.000 0.722 262 K HN 0.446 nan 8.250 nan 0.000 0.458 263 P HA -0.167 nan 4.420 nan 0.000 0.216 263 P C 1.362 178.660 177.300 -0.003 0.000 1.150 263 P CA 1.082 64.175 63.100 -0.010 0.000 0.843 263 P CB 0.039 31.734 31.700 -0.008 0.000 0.787 264 L N -1.373 119.843 121.223 -0.013 0.000 2.131 264 L HA -0.056 4.284 4.340 0.000 0.000 0.206 264 L C 2.141 179.021 176.870 0.017 0.000 1.087 264 L CA 1.407 56.253 54.840 0.010 0.000 0.767 264 L CB -0.688 41.373 42.059 0.003 0.000 0.917 264 L HN -0.055 nan 8.230 nan 0.000 0.441 265 A N -0.124 122.662 122.820 -0.057 0.000 1.902 265 A HA -0.232 4.088 4.320 0.000 0.000 0.217 265 A C 2.002 179.640 177.584 0.090 0.000 1.181 265 A CA 1.658 53.655 52.037 -0.068 0.000 0.623 265 A CB -0.458 18.371 19.000 -0.285 0.000 0.818 265 A HN 0.539 nan 8.150 nan 0.000 0.443 266 E N -0.777 119.449 120.200 0.043 0.000 2.077 266 E HA -0.250 4.100 4.350 0.000 0.000 0.193 266 E C 2.182 178.817 176.600 0.059 0.000 0.989 266 E CA 1.280 57.712 56.400 0.054 0.000 0.800 266 E CB -0.183 29.533 29.700 0.027 0.000 0.746 266 E HN 0.781 nan 8.360 nan 0.000 0.452 267 Q N 0.407 120.237 119.800 0.051 0.000 2.364 267 Q HA -0.127 4.213 4.340 0.000 0.000 0.207 267 Q C 1.897 177.936 176.000 0.065 0.000 0.970 267 Q CA 0.716 56.544 55.803 0.043 0.000 0.888 267 Q CB 0.149 28.906 28.738 0.032 0.000 0.951 267 Q HN 0.334 nan 8.270 nan 0.000 0.469 268 I N -0.513 120.128 120.570 0.117 0.000 2.494 268 I HA -0.093 4.077 4.170 0.000 0.000 0.250 268 I C 2.303 178.477 176.117 0.096 0.000 1.112 268 I CA 0.636 62.023 61.300 0.145 0.000 1.438 268 I CB -0.291 37.871 38.000 0.271 0.000 1.111 268 I HN 0.165 nan 8.210 nan 0.000 0.431 269 A N 1.573 124.461 122.820 0.113 0.000 1.865 269 A HA -0.192 4.128 4.320 0.000 0.000 0.217 269 A C 2.292 179.891 177.584 0.026 0.000 1.191 269 A CA 1.580 53.651 52.037 0.056 0.000 0.623 269 A CB -0.906 18.141 19.000 0.080 0.000 0.826 269 A HN 0.332 nan 8.150 nan 0.000 0.444 270 I N -0.520 120.068 120.570 0.031 0.000 2.091 270 I HA -0.287 3.883 4.170 0.000 0.000 0.239 270 I C 2.637 178.757 176.117 0.006 0.000 1.061 270 I CA 1.991 63.300 61.300 0.015 0.000 1.317 270 I CB -0.888 37.121 38.000 0.014 0.000 1.031 270 I HN 0.265 nan 8.210 nan 0.000 0.401 271 T N 0.654 115.213 114.554 0.008 0.000 2.759 271 T HA -0.157 4.193 4.350 0.000 0.000 0.269 271 T C 1.724 176.420 174.700 -0.006 0.000 1.042 271 T CA 1.494 63.593 62.100 -0.003 0.000 1.140 271 T CB -0.279 68.586 68.868 -0.006 0.000 0.864 271 T HN 0.509 nan 8.240 nan 0.000 0.455 272 A N 0.405 123.221 122.820 -0.005 0.000 2.238 272 A HA 0.505 4.825 4.320 0.000 0.000 0.208 272 A C 1.449 179.019 177.584 -0.022 0.000 1.177 272 A CA 0.552 52.577 52.037 -0.020 0.000 0.804 272 A CB -0.737 18.239 19.000 -0.040 0.000 0.823 272 A HN 0.786 nan 8.150 nan 0.000 0.482 273 G N -1.307 107.485 108.800 -0.014 0.000 2.473 273 G HA2 -0.131 3.829 3.960 0.000 0.000 0.289 273 G HA3 -0.131 3.829 3.960 0.000 0.000 0.289 273 G C -0.302 174.587 174.900 -0.017 0.000 1.084 273 G CA -0.022 45.070 45.100 -0.014 0.000 1.215 273 G HN 0.742 nan 8.290 nan 0.000 0.527 274 c N 1.139 119.733 118.600 -0.010 0.000 2.994 274 c HA 0.717 5.287 4.570 0.000 0.000 0.305 274 c C 0.482 174.574 174.090 0.003 0.000 1.251 274 c CA -1.176 55.147 56.329 -0.010 0.000 1.478 274 c CB 2.008 44.508 42.510 -0.016 0.000 1.922 274 c HN 0.935 nan 8.230 nan 0.000 0.472 275 K N 0.184 120.587 120.400 0.006 0.000 2.237 275 K HA 0.476 4.796 4.320 0.000 0.000 0.270 275 K C 0.286 176.898 176.600 0.019 0.000 1.015 275 K CA 0.048 56.342 56.287 0.012 0.000 0.949 275 K CB 0.251 32.758 32.500 0.013 0.000 0.976 275 K HN 0.787 nan 8.250 nan 0.000 0.472 276 T N -1.864 112.701 114.554 0.019 0.000 3.331 276 T HA 0.088 4.438 4.350 0.000 0.000 0.282 276 T C 0.837 175.548 174.700 0.018 0.000 1.010 276 T CA -0.536 61.579 62.100 0.024 0.000 0.928 276 T CB 0.106 68.990 68.868 0.026 0.000 1.154 276 T HN 0.549 nan 8.240 nan 0.000 0.516 277 T N 2.936 117.498 114.554 0.014 0.000 2.665 277 T HA -0.017 4.333 4.350 0.000 0.000 0.268 277 T C 1.151 175.855 174.700 0.006 0.000 1.035 277 T CA 2.009 64.114 62.100 0.009 0.000 1.151 277 T CB -0.290 68.582 68.868 0.007 0.000 0.862 277 T HN 0.874 nan 8.240 nan 0.000 0.438 278 T N -2.307 112.247 114.554 -0.000 0.000 2.843 278 T HA 0.472 4.823 4.350 0.000 0.000 0.302 278 T C 0.970 175.659 174.700 -0.019 0.000 1.232 278 T CA -0.331 61.763 62.100 -0.010 0.000 1.009 278 T CB 1.736 70.584 68.868 -0.035 0.000 1.254 278 T HN -0.105 nan 8.240 nan 0.000 0.504 279 S N 1.033 116.725 115.700 -0.013 0.000 2.348 279 S HA -0.033 4.437 4.470 0.000 0.000 0.221 279 S C 2.544 177.083 174.600 -0.101 0.000 1.033 279 S CA 1.155 59.361 58.200 0.011 0.000 1.010 279 S CB -1.118 62.156 63.200 0.124 0.000 0.891 279 S HN 1.084 nan 8.310 nan 0.000 0.442 280 A N 0.990 123.540 122.820 -0.451 0.000 2.084 280 A HA -0.063 4.257 4.320 0.000 0.000 0.221 280 A C 2.244 179.729 177.584 -0.165 0.000 1.161 280 A CA 1.519 53.212 52.037 -0.574 0.000 0.653 280 A CB -0.766 17.727 19.000 -0.845 0.000 0.802 280 A HN 0.372 nan 8.150 nan 0.000 0.457 281 V N -0.798 119.064 119.914 -0.086 0.000 2.426 281 V HA -0.190 3.930 4.120 0.000 0.000 0.242 281 V C 2.508 178.636 176.094 0.056 0.000 1.036 281 V CA 1.673 63.983 62.300 0.018 0.000 1.044 281 V CB -0.584 31.244 31.823 0.009 0.000 0.688 281 V HN 0.555 nan 8.190 nan 0.000 0.462 282 M N -0.221 119.407 119.600 0.047 0.000 2.144 282 M HA -0.205 4.275 4.480 0.000 0.000 0.260 282 M C 2.121 178.446 176.300 0.041 0.000 1.067 282 M CA 1.732 57.074 55.300 0.069 0.000 1.095 282 M CB -0.483 32.202 32.600 0.142 0.000 1.365 282 M HN 0.285 nan 8.290 nan 0.000 0.406 283 V N -1.009 118.951 119.914 0.076 0.000 2.283 283 V HA -0.274 3.846 4.120 0.000 0.000 0.243 283 V C 2.220 178.371 176.094 0.096 0.000 1.039 283 V CA 2.319 64.650 62.300 0.052 0.000 1.016 283 V CB -1.141 30.765 31.823 0.138 0.000 0.650 283 V HN 0.448 nan 8.190 nan 0.000 0.449 284 H N -0.095 118.984 119.070 0.014 0.000 2.289 284 H HA -0.277 4.279 4.556 0.000 0.000 0.294 284 H C 2.394 177.722 175.328 -0.001 0.000 1.095 284 H CA 2.414 58.467 56.048 0.008 0.000 1.256 284 H CB -0.882 28.874 29.762 -0.009 0.000 1.359 284 H HN 0.456 nan 8.280 nan 0.000 0.487 285 c N -0.170 118.363 118.600 -0.113 0.000 2.413 285 c HA -0.097 4.473 4.570 0.000 0.000 0.276 285 c C 2.949 176.953 174.090 -0.144 0.000 1.236 285 c CA 1.151 57.377 56.329 -0.172 0.000 1.735 285 c CB -1.496 40.975 42.510 -0.065 0.000 2.031 285 c HN 0.654 nan 8.230 nan 0.000 0.474 286 L N 0.159 121.322 121.223 -0.099 0.000 2.201 286 L HA -0.051 4.289 4.340 0.000 0.000 0.212 286 L C 2.930 179.769 176.870 -0.051 0.000 1.105 286 L CA 1.169 55.956 54.840 -0.088 0.000 0.775 286 L CB -0.585 41.371 42.059 -0.173 0.000 0.913 286 L HN 0.335 nan 8.230 nan 0.000 0.440 287 R N -0.594 119.890 120.500 -0.027 0.000 2.235 287 R HA -0.096 4.244 4.340 0.000 0.000 0.213 287 R C 2.020 178.243 176.300 -0.128 0.000 1.059 287 R CA 0.573 56.622 56.100 -0.086 0.000 0.997 287 R CB -0.018 30.273 30.300 -0.015 0.000 0.884 287 R HN 0.393 nan 8.270 nan 0.000 0.462 288 Q N 0.679 120.378 119.800 -0.168 0.000 2.269 288 Q HA 0.034 4.374 4.340 0.000 0.000 0.201 288 Q C 0.276 176.213 176.000 -0.105 0.000 0.946 288 Q CA 0.799 56.507 55.803 -0.159 0.000 0.877 288 Q CB 0.137 28.740 28.738 -0.225 0.000 0.963 288 Q HN 0.033 nan 8.270 nan 0.000 0.472 289 K N 2.081 122.422 120.400 -0.099 0.000 2.469 289 K HA 0.025 4.345 4.320 0.000 0.000 0.274 289 K C 0.536 177.112 176.600 -0.039 0.000 0.983 289 K CA 0.163 56.410 56.287 -0.067 0.000 0.974 289 K CB -0.012 32.444 32.500 -0.073 0.000 0.913 289 K HN 0.226 nan 8.250 nan 0.000 0.493 290 T N -2.194 112.353 114.554 -0.012 0.000 2.868 290 T HA 0.040 4.390 4.350 0.000 0.000 0.292 290 T C 1.325 176.069 174.700 0.073 0.000 1.028 290 T CA -0.617 61.492 62.100 0.015 0.000 1.059 290 T CB 1.237 70.112 68.868 0.012 0.000 0.991 290 T HN 0.617 nan 8.240 nan 0.000 0.531 291 E N 0.622 120.887 120.200 0.108 0.000 2.086 291 E HA -0.311 4.039 4.350 0.000 0.000 0.200 291 E C 1.735 178.488 176.600 0.255 0.000 1.012 291 E CA 1.947 58.490 56.400 0.238 0.000 0.812 291 E CB -0.136 29.614 29.700 0.083 0.000 0.743 291 E HN 0.829 nan 8.360 nan 0.000 0.453 292 E N 0.458 120.733 120.200 0.125 0.000 2.110 292 E HA -0.177 4.174 4.350 0.000 0.000 0.193 292 E C 1.889 178.553 176.600 0.106 0.000 0.988 292 E CA 1.567 58.031 56.400 0.106 0.000 0.804 292 E CB 0.028 29.758 29.700 0.051 0.000 0.745 292 E HN 0.385 nan 8.360 nan 0.000 0.458 293 E N -0.103 120.141 120.200 0.074 0.000 2.077 293 E HA -0.172 4.178 4.350 0.000 0.000 0.193 293 E C 2.184 178.808 176.600 0.040 0.000 0.989 293 E CA 0.903 57.328 56.400 0.041 0.000 0.800 293 E CB -0.149 29.557 29.700 0.010 0.000 0.746 293 E HN 0.296 nan 8.360 nan 0.000 0.452 294 L N 0.557 121.807 121.223 0.046 0.000 2.046 294 L HA -0.177 4.163 4.340 0.000 0.000 0.208 294 L C 2.600 179.488 176.870 0.029 0.000 1.077 294 L CA 0.535 55.336 54.840 -0.065 0.000 0.747 294 L CB -0.390 41.505 42.059 -0.273 0.000 0.896 294 L HN 0.198 nan 8.230 nan 0.000 0.432 295 L N 0.029 121.424 121.223 0.287 0.000 2.131 295 L HA -0.194 4.147 4.340 0.000 0.000 0.210 295 L C 2.381 179.365 176.870 0.191 0.000 1.092 295 L CA 1.696 56.761 54.840 0.376 0.000 0.759 295 L CB -0.547 41.731 42.059 0.367 0.000 0.903 295 L HN 0.223 nan 8.230 nan 0.000 0.435 296 E N -1.106 119.166 120.200 0.120 0.000 2.028 296 E HA -0.194 4.156 4.350 0.000 0.000 0.191 296 E C 1.939 178.574 176.600 0.058 0.000 0.988 296 E CA 1.817 58.260 56.400 0.072 0.000 0.799 296 E CB -0.300 29.427 29.700 0.044 0.000 0.755 296 E HN 0.505 nan 8.360 nan 0.000 0.447 297 T N 0.893 115.472 114.554 0.042 0.000 2.685 297 T HA -0.205 4.145 4.350 0.000 0.000 0.268 297 T C 1.996 176.733 174.700 0.061 0.000 1.034 297 T CA 1.900 64.015 62.100 0.025 0.000 1.149 297 T CB -0.532 68.338 68.868 0.002 0.000 0.860 297 T HN 0.188 nan 8.240 nan 0.000 0.449 298 T N 2.251 116.887 114.554 0.138 0.000 2.684 298 T HA 0.003 4.353 4.350 0.000 0.000 0.267 298 T C 1.945 176.743 174.700 0.164 0.000 1.036 298 T CA 0.971 63.249 62.100 0.296 0.000 1.148 298 T CB -0.456 68.623 68.868 0.351 0.000 0.863 298 T HN 0.297 nan 8.240 nan 0.000 0.436 299 L N 0.356 121.644 121.223 0.108 0.000 2.131 299 L HA -0.077 4.263 4.340 0.000 0.000 0.210 299 L C 2.600 179.453 176.870 -0.029 0.000 1.092 299 L CA 1.296 56.166 54.840 0.050 0.000 0.759 299 L CB -0.483 41.608 42.059 0.052 0.000 0.903 299 L HN 0.270 nan 8.230 nan 0.000 0.435 300 K N -0.536 119.836 120.400 -0.047 0.000 2.103 300 K HA -0.067 4.254 4.320 0.000 0.000 0.204 300 K C 2.114 178.614 176.600 -0.167 0.000 1.052 300 K CA 0.909 57.148 56.287 -0.079 0.000 0.945 300 K CB -0.008 32.460 32.500 -0.052 0.000 0.722 300 K HN 0.199 nan 8.250 nan 0.000 0.443 301 M N 0.973 120.399 119.600 -0.291 0.000 2.296 301 M HA -0.083 4.397 4.480 0.000 0.000 0.265 301 M C 0.190 176.140 176.300 -0.583 0.000 1.064 301 M CA 1.253 56.221 55.300 -0.552 0.000 1.109 301 M CB -0.639 31.278 32.600 -1.138 0.000 1.396 301 M HN 0.100 nan 8.290 nan 0.000 0.430 302 K N 0.078 120.226 120.400 -0.420 0.000 3.125 302 K HA -0.179 4.141 4.320 0.000 0.000 0.268 302 K C -0.491 175.994 176.600 -0.191 0.000 1.078 302 K CA 0.080 56.233 56.287 -0.224 0.000 0.775 302 K CB -2.507 29.907 32.500 -0.143 0.000 1.253 302 K HN 0.182 nan 8.250 nan 0.000 0.486 303 F N 0.075 120.045 119.950 0.032 0.000 2.527 303 F HA 0.000 4.527 4.527 0.000 0.000 0.316 303 F C 2.126 177.945 175.800 0.032 0.000 1.258 303 F CA 0.218 58.238 58.000 0.033 0.000 1.314 303 F CB 0.092 39.119 39.000 0.045 0.000 1.200 303 F HN 0.120 nan 8.300 nan 0.000 0.577 304 L N -0.282 121.091 121.223 0.249 0.000 4.914 304 L HA -0.320 4.020 4.340 0.000 0.000 0.443 304 L C -0.131 176.804 176.870 0.108 0.000 1.095 304 L CA 1.098 56.026 54.840 0.147 0.000 0.975 304 L CB -1.631 40.504 42.059 0.126 0.000 1.914 304 L HN 0.513 nan 8.230 nan 0.000 0.837 305 S N 0.095 115.849 115.700 0.091 0.000 2.498 305 S HA 0.555 5.025 4.470 0.000 0.000 0.324 305 S C -0.240 174.392 174.600 0.053 0.000 1.071 305 S CA -0.598 57.639 58.200 0.060 0.000 1.113 305 S CB 1.469 64.683 63.200 0.024 0.000 0.976 305 S HN 0.258 nan 8.310 nan 0.000 0.462 306 L N 4.172 125.443 121.223 0.080 0.000 2.791 306 L HA 0.056 4.396 4.340 0.000 0.000 0.276 306 L C 0.011 176.872 176.870 -0.014 0.000 1.136 306 L CA 0.408 55.280 54.840 0.053 0.000 1.008 306 L CB -0.507 41.582 42.059 0.050 0.000 1.348 306 L HN 0.546 nan 8.230 nan 0.000 0.476 307 D N 3.846 124.233 120.400 -0.021 0.000 2.398 307 D HA 0.110 4.750 4.640 0.000 0.000 0.250 307 D C 0.979 177.243 176.300 -0.061 0.000 1.287 307 D CA -0.073 53.901 54.000 -0.043 0.000 0.992 307 D CB 0.364 41.136 40.800 -0.047 0.000 1.071 307 D HN 0.604 nan 8.370 nan 0.000 0.514 308 L N 0.983 122.166 121.223 -0.066 0.000 2.627 308 L HA 0.280 4.620 4.340 0.000 0.000 0.232 308 L C 0.188 177.029 176.870 -0.050 0.000 1.150 308 L CA 0.281 55.076 54.840 -0.075 0.000 0.917 308 L CB 0.030 42.031 42.059 -0.096 0.000 1.104 308 L HN 0.175 nan 8.230 nan 0.000 0.445 309 Q N 1.004 120.779 119.800 -0.043 0.000 2.719 309 Q HA 0.611 4.951 4.340 0.000 0.000 0.376 309 Q C 0.006 175.987 176.000 -0.030 0.000 0.856 309 Q CA 0.385 56.170 55.803 -0.030 0.000 1.038 309 Q CB 1.648 30.371 28.738 -0.026 0.000 1.418 309 Q HN 0.537 nan 8.270 nan 0.000 0.395 310 G N -0.092 108.687 108.800 -0.035 0.000 2.619 310 G HA2 0.110 4.070 3.960 0.000 0.000 0.146 310 G HA3 0.110 4.070 3.960 0.000 0.000 0.146 310 G C -1.575 173.298 174.900 -0.044 0.000 1.192 310 G CA -0.311 44.767 45.100 -0.037 0.000 1.063 310 G HN 0.120 nan 8.290 nan 0.000 0.538 311 D N 0.686 121.044 120.400 -0.069 0.000 2.344 311 D HA 0.485 5.125 4.640 0.000 0.000 0.239 311 D C -1.549 174.621 176.300 -0.216 0.000 1.064 311 D CA -1.614 52.327 54.000 -0.099 0.000 0.829 311 D CB 2.649 43.411 40.800 -0.064 0.000 1.129 311 D HN -0.139 nan 8.370 nan 0.000 0.506 312 P HA -0.139 nan 4.420 nan 0.000 0.216 312 P C 1.141 178.100 177.300 -0.569 0.000 1.153 312 P CA 1.318 64.047 63.100 -0.619 0.000 0.858 312 P CB 0.476 31.319 31.700 -1.429 0.000 0.789 313 R N -0.023 120.065 120.500 -0.686 0.000 2.075 313 R HA -0.129 4.211 4.340 0.000 0.000 0.230 313 R C 2.341 178.526 176.300 -0.192 0.000 1.140 313 R CA 1.560 57.329 56.100 -0.552 0.000 0.928 313 R CB -1.016 29.061 30.300 -0.371 0.000 0.834 313 R HN 0.279 nan 8.270 nan 0.000 0.429 314 E N 1.001 121.119 120.200 -0.137 0.000 2.058 314 E HA -0.109 4.241 4.350 0.000 0.000 0.194 314 E C 0.653 177.226 176.600 -0.047 0.000 0.997 314 E CA 0.650 57.011 56.400 -0.066 0.000 0.801 314 E CB -0.134 29.534 29.700 -0.054 0.000 0.746 314 E HN 0.078 nan 8.360 nan 0.000 0.450 315 S N 1.716 117.375 115.700 -0.067 0.000 3.448 315 S HA -0.149 4.321 4.470 0.000 0.000 0.408 315 S C -0.032 174.566 174.600 -0.003 0.000 1.128 315 S CA -0.212 57.962 58.200 -0.043 0.000 1.339 315 S CB -0.041 63.120 63.200 -0.064 0.000 0.915 315 S HN 0.088 nan 8.310 nan 0.000 0.546 316 Q N 7.524 127.331 119.800 0.012 0.000 2.307 316 Q HA 0.316 4.656 4.340 0.000 0.000 0.259 316 Q C -1.142 174.905 176.000 0.079 0.000 0.998 316 Q CA -1.521 54.312 55.803 0.049 0.000 0.923 316 Q CB 1.124 29.903 28.738 0.067 0.000 1.196 316 Q HN 0.425 nan 8.270 nan 0.000 0.416 317 P HA -0.040 nan 4.420 nan 0.000 0.213 317 P C -0.733 176.685 177.300 0.198 0.000 1.170 317 P CA 0.896 64.055 63.100 0.099 0.000 0.889 317 P CB 0.194 31.919 31.700 0.042 0.000 0.782 318 L N -3.802 117.511 121.223 0.150 0.000 2.902 318 L HA 0.344 4.684 4.340 0.000 0.000 0.261 318 L C -0.259 176.586 176.870 -0.042 0.000 0.928 318 L CA -1.178 53.727 54.840 0.108 0.000 1.024 318 L CB -0.430 41.643 42.059 0.025 0.000 1.629 318 L HN -0.176 nan 8.230 nan 0.000 0.478 319 L N 1.188 122.356 121.223 -0.091 0.000 2.489 319 L HA 0.847 5.187 4.340 0.000 0.000 0.285 319 L C 1.009 177.771 176.870 -0.179 0.000 1.259 319 L CA 0.784 55.577 54.840 -0.078 0.000 0.828 319 L CB -0.618 41.427 42.059 -0.024 0.000 1.094 319 L HN 1.089 nan 8.230 nan 0.000 0.524 320 G N -0.548 108.163 108.800 -0.148 0.000 2.485 320 G HA2 0.198 4.158 3.960 0.000 0.000 0.182 320 G HA3 0.198 4.158 3.960 0.000 0.000 0.182 320 G C -0.918 173.930 174.900 -0.085 0.000 1.172 320 G CA -0.433 44.427 45.100 -0.398 0.000 0.996 320 G HN 0.579 nan 8.290 nan 0.000 0.496 321 T N 0.896 115.393 114.554 -0.095 0.000 2.928 321 T HA 0.463 4.813 4.350 0.000 0.000 0.305 321 T C 0.501 175.227 174.700 0.043 0.000 1.035 321 T CA 0.839 63.017 62.100 0.130 0.000 1.145 321 T CB 0.650 69.613 68.868 0.158 0.000 0.963 321 T HN 1.485 nan 8.240 nan 0.000 0.545 322 V N 0.738 120.677 119.914 0.040 0.000 3.167 322 V HA 0.572 4.692 4.120 0.000 0.000 0.310 322 V C -0.250 175.816 176.094 -0.046 0.000 1.207 322 V CA -1.210 61.071 62.300 -0.033 0.000 1.059 322 V CB 1.863 33.642 31.823 -0.073 0.000 1.079 322 V HN 0.593 nan 8.190 nan 0.000 0.446 323 I N 2.993 123.525 120.570 -0.064 0.000 2.664 323 I HA 0.174 4.344 4.170 0.000 0.000 0.291 323 I C 1.348 177.419 176.117 -0.076 0.000 1.120 323 I CA -0.078 61.182 61.300 -0.066 0.000 1.503 323 I CB -1.496 36.466 38.000 -0.063 0.000 1.506 323 I HN 0.966 nan 8.210 nan 0.000 0.621 324 D N 3.044 123.389 120.400 -0.092 0.000 2.269 324 D HA -0.239 4.401 4.640 0.000 0.000 0.191 324 D C 1.574 177.826 176.300 -0.079 0.000 1.007 324 D CA 2.165 56.100 54.000 -0.109 0.000 0.855 324 D CB -0.289 40.422 40.800 -0.148 0.000 0.979 324 D HN 0.495 nan 8.370 nan 0.000 0.452 325 G N -2.376 106.384 108.800 -0.067 0.000 2.559 325 G HA2 -0.121 3.839 3.960 0.000 0.000 0.202 325 G HA3 -0.121 3.839 3.960 0.000 0.000 0.202 325 G C 0.933 175.811 174.900 -0.037 0.000 0.992 325 G CA 0.468 45.538 45.100 -0.050 0.000 0.764 325 G HN 0.213 nan 8.290 nan 0.000 0.525 326 M N -0.763 118.814 119.600 -0.039 0.000 2.925 326 M HA 0.485 4.965 4.480 0.000 0.000 0.249 326 M C 2.076 178.366 176.300 -0.017 0.000 1.439 326 M CA 0.840 56.129 55.300 -0.018 0.000 1.217 326 M CB -0.787 31.808 32.600 -0.008 0.000 1.245 326 M HN 0.210 nan 8.290 nan 0.000 0.552 327 L N 0.037 121.241 121.223 -0.032 0.000 2.253 327 L HA 0.312 4.652 4.340 0.000 0.000 0.205 327 L C 0.126 176.964 176.870 -0.054 0.000 1.078 327 L CA 0.956 55.776 54.840 -0.033 0.000 0.805 327 L CB 0.506 42.545 42.059 -0.033 0.000 0.963 327 L HN 0.050 nan 8.230 nan 0.000 0.459 328 L N 0.234 121.420 121.223 -0.062 0.000 2.376 328 L HA 0.269 4.609 4.340 0.000 0.000 0.275 328 L C 0.095 176.924 176.870 -0.069 0.000 0.987 328 L CA -0.370 54.426 54.840 -0.073 0.000 0.828 328 L CB 2.086 44.099 42.059 -0.077 0.000 1.249 328 L HN 0.048 nan 8.230 nan 0.000 0.409 329 L N 3.151 124.329 121.223 -0.075 0.000 2.567 329 L HA 0.138 4.478 4.340 0.000 0.000 0.225 329 L C 0.446 177.274 176.870 -0.069 0.000 1.119 329 L CA 0.588 55.387 54.840 -0.068 0.000 0.871 329 L CB -0.079 41.937 42.059 -0.071 0.000 1.036 329 L HN 0.627 nan 8.230 nan 0.000 0.459 330 K N -2.497 117.857 120.400 -0.076 0.000 2.735 330 K HA 0.285 4.605 4.320 0.000 0.000 0.295 330 K C -0.556 176.000 176.600 -0.074 0.000 1.052 330 K CA -0.751 55.493 56.287 -0.071 0.000 0.853 330 K CB 0.390 32.848 32.500 -0.070 0.000 1.535 330 K HN -0.171 nan 8.250 nan 0.000 0.383 331 T N -1.727 112.786 114.554 -0.069 0.000 2.900 331 T HA 0.160 4.510 4.350 0.000 0.000 0.307 331 T C -1.863 172.792 174.700 -0.075 0.000 1.065 331 T CA -0.857 61.200 62.100 -0.072 0.000 1.105 331 T CB 0.585 69.411 68.868 -0.071 0.000 0.979 331 T HN 0.337 nan 8.240 nan 0.000 0.544 332 P HA -0.062 nan 4.420 nan 0.000 0.216 332 P C 1.083 178.345 177.300 -0.064 0.000 1.150 332 P CA 0.960 64.016 63.100 -0.072 0.000 0.837 332 P CB -0.036 31.619 31.700 -0.075 0.000 0.786 333 E N -0.620 119.536 120.200 -0.073 0.000 2.455 333 E HA -0.162 4.188 4.350 0.000 0.000 0.202 333 E C 1.519 178.086 176.600 -0.054 0.000 1.045 333 E CA 0.960 57.319 56.400 -0.068 0.000 0.872 333 E CB -0.544 29.105 29.700 -0.085 0.000 0.792 333 E HN 0.485 nan 8.360 nan 0.000 0.542 334 E N -0.647 119.518 120.200 -0.057 0.000 2.228 334 E HA 0.121 4.471 4.350 0.000 0.000 0.197 334 E C 1.794 178.359 176.600 -0.058 0.000 0.909 334 E CA -0.100 56.268 56.400 -0.053 0.000 0.911 334 E CB 0.054 29.721 29.700 -0.056 0.000 0.887 334 E HN 0.096 nan 8.360 nan 0.000 0.481 335 L N 1.502 122.682 121.223 -0.071 0.000 1.990 335 L HA -0.282 4.058 4.340 0.000 0.000 0.213 335 L C 2.564 179.397 176.870 -0.063 0.000 1.072 335 L CA 1.575 56.361 54.840 -0.090 0.000 0.755 335 L CB -0.500 41.496 42.059 -0.104 0.000 0.889 335 L HN 0.150 nan 8.230 nan 0.000 0.432 336 Q N -0.484 119.296 119.800 -0.033 0.000 2.268 336 Q HA -0.256 4.084 4.340 0.000 0.000 0.210 336 Q C 2.038 178.038 176.000 -0.001 0.000 0.988 336 Q CA 1.495 57.298 55.803 0.000 0.000 0.883 336 Q CB -0.297 28.450 28.738 0.014 0.000 0.911 336 Q HN 0.614 nan 8.270 nan 0.000 0.430 337 A N 0.723 123.533 122.820 -0.016 0.000 2.239 337 A HA -0.076 4.244 4.320 0.000 0.000 0.209 337 A C 0.620 178.196 177.584 -0.013 0.000 1.171 337 A CA 0.263 52.293 52.037 -0.011 0.000 0.768 337 A CB 0.001 18.991 19.000 -0.016 0.000 0.790 337 A HN 0.233 nan 8.150 nan 0.000 0.478 338 E N -0.026 120.161 120.200 -0.021 0.000 2.256 338 E HA 0.332 4.682 4.350 0.000 0.000 0.243 338 E C 0.249 176.857 176.600 0.013 0.000 0.925 338 E CA -0.529 55.860 56.400 -0.019 0.000 0.748 338 E CB 0.381 30.041 29.700 -0.067 0.000 1.206 338 E HN 0.240 nan 8.360 nan 0.000 0.428 339 R N 1.699 122.216 120.500 0.027 0.000 2.090 339 R HA -0.002 4.338 4.340 0.000 0.000 0.228 339 R C 0.317 176.670 176.300 0.088 0.000 1.110 339 R CA 0.571 56.696 56.100 0.041 0.000 0.973 339 R CB -0.369 29.942 30.300 0.017 0.000 0.869 339 R HN 0.366 nan 8.270 nan 0.000 0.440 340 N N 0.899 119.652 118.700 0.088 0.000 2.374 340 N HA 0.015 4.755 4.740 0.000 0.000 0.298 340 N C -1.032 174.648 175.510 0.284 0.000 1.273 340 N CA 0.754 53.879 53.050 0.125 0.000 1.093 340 N CB -0.249 38.292 38.487 0.091 0.000 1.486 340 N HN 0.029 nan 8.380 nan 0.000 0.488 341 F N -0.569 119.389 119.950 0.014 0.000 3.569 341 F HA 0.126 4.653 4.527 0.000 0.000 0.328 341 F C -0.751 175.089 175.800 0.067 0.000 1.077 341 F CA -0.987 57.041 58.000 0.047 0.000 0.832 341 F CB 0.578 39.618 39.000 0.066 0.000 1.588 341 F HN 0.284 nan 8.300 nan 0.000 0.482 342 H N 0.968 119.840 119.070 -0.330 0.000 2.482 342 H HA 0.707 5.263 4.556 0.000 0.000 0.344 342 H C -1.176 174.139 175.328 -0.021 0.000 1.151 342 H CA 0.549 56.455 56.048 -0.236 0.000 1.300 342 H CB 1.287 30.806 29.762 -0.405 0.000 1.494 342 H HN 0.647 nan 8.280 nan 0.000 0.542 343 T N 0.557 114.825 114.554 -0.478 0.000 2.883 343 T HA 0.573 4.923 4.350 0.000 0.000 0.301 343 T C -0.292 174.220 174.700 -0.314 0.000 1.158 343 T CA -0.417 61.442 62.100 -0.403 0.000 1.007 343 T CB 1.236 69.974 68.868 -0.216 0.000 1.186 343 T HN 0.813 nan 8.240 nan 0.000 0.499 344 V N -2.880 116.969 119.914 -0.109 0.000 3.159 344 V HA 0.790 4.910 4.120 0.000 0.000 0.308 344 V C -3.300 172.906 176.094 0.188 0.000 1.190 344 V CA -3.202 59.081 62.300 -0.028 0.000 1.037 344 V CB 1.524 33.265 31.823 -0.138 0.000 1.060 344 V HN 0.710 nan 8.190 nan 0.000 0.437 345 P HA 0.155 nan 4.420 nan 0.000 0.259 345 P C -1.289 176.305 177.300 0.489 0.000 1.211 345 P CA 0.732 63.971 63.100 0.232 0.000 0.810 345 P CB -0.441 31.198 31.700 -0.102 0.000 0.815 346 Y N 3.844 124.354 120.300 0.350 0.000 2.360 346 Y HA 0.550 5.100 4.550 0.000 0.000 0.337 346 Y C -0.017 175.972 175.900 0.149 0.000 1.039 346 Y CA -1.478 56.715 58.100 0.154 0.000 1.109 346 Y CB 1.323 39.534 38.460 -0.414 0.000 1.201 346 Y HN 0.172 nan 8.280 nan 0.000 0.458 347 M N 7.766 127.322 119.600 -0.073 0.000 2.053 347 M HA 0.418 4.898 4.480 0.000 0.000 0.297 347 M C -2.214 173.759 176.300 -0.544 0.000 0.921 347 M CA -0.673 54.315 55.300 -0.520 0.000 0.918 347 M CB 0.704 32.550 32.600 -1.256 0.000 1.499 347 M HN 0.377 nan 8.290 nan 0.000 0.422 348 V N 3.913 123.465 119.914 -0.603 0.000 2.472 348 V HA 0.923 5.043 4.120 0.000 0.000 0.290 348 V C 0.504 176.309 176.094 -0.483 0.000 1.037 348 V CA -0.500 61.456 62.300 -0.572 0.000 0.908 348 V CB 1.384 32.814 31.823 -0.655 0.000 0.985 348 V HN 0.951 nan 8.190 nan 0.000 0.454 349 G N 3.535 112.017 108.800 -0.530 0.000 2.660 349 G HA2 0.858 4.818 3.960 0.000 0.000 0.294 349 G HA3 0.858 4.818 3.960 0.000 0.000 0.294 349 G C -1.210 173.336 174.900 -0.590 0.000 1.369 349 G CA -0.643 43.766 45.100 -1.151 0.000 0.912 349 G HN 0.928 nan 8.290 nan 0.000 0.479 350 I N -2.479 117.802 120.570 -0.482 0.000 3.279 350 I HA 0.634 4.804 4.170 0.000 0.000 0.315 350 I C -1.246 174.916 176.117 0.074 0.000 1.187 350 I CA -1.454 59.782 61.300 -0.106 0.000 0.953 350 I CB 2.475 40.436 38.000 -0.065 0.000 1.279 350 I HN 0.446 nan 8.210 nan 0.000 0.465 351 N N 1.067 119.828 118.700 0.102 0.000 2.319 351 N HA 0.261 5.001 4.740 0.000 0.000 0.305 351 N C -0.116 175.482 175.510 0.146 0.000 1.103 351 N CA -0.815 52.357 53.050 0.204 0.000 0.815 351 N CB 2.450 41.059 38.487 0.203 0.000 1.288 351 N HN 0.524 nan 8.380 nan 0.000 0.493 352 K N 0.794 121.299 120.400 0.174 0.000 2.127 352 K HA -0.171 4.149 4.320 0.000 0.000 0.208 352 K C -0.013 176.662 176.600 0.125 0.000 1.047 352 K CA 1.839 58.207 56.287 0.134 0.000 0.927 352 K CB 0.127 32.705 32.500 0.130 0.000 0.716 352 K HN 0.548 nan 8.250 nan 0.000 0.450 353 Q N -0.082 119.798 119.800 0.133 0.000 3.064 353 Q HA 0.099 4.439 4.340 0.000 0.000 0.258 353 Q C -0.229 175.839 176.000 0.114 0.000 0.972 353 Q CA -0.379 55.501 55.803 0.129 0.000 0.761 353 Q CB 1.480 30.296 28.738 0.131 0.000 1.281 353 Q HN 0.113 nan 8.270 nan 0.000 0.455 354 E N 0.567 120.804 120.200 0.063 0.000 2.017 354 E HA -0.148 4.202 4.350 0.000 0.000 0.193 354 E C 0.422 177.035 176.600 0.022 0.000 0.997 354 E CA 1.232 57.592 56.400 -0.066 0.000 0.804 354 E CB 0.083 29.549 29.700 -0.389 0.000 0.757 354 E HN 0.434 nan 8.360 nan 0.000 0.448 355 F N 1.135 121.053 119.950 -0.053 0.000 2.954 355 F HA 0.217 4.744 4.527 0.000 0.000 0.300 355 F C 1.434 177.239 175.800 0.009 0.000 1.206 355 F CA -0.265 57.708 58.000 -0.044 0.000 1.345 355 F CB 0.133 39.100 39.000 -0.054 0.000 1.206 355 F HN -0.053 nan 8.300 nan 0.000 0.537 356 G N -0.210 108.610 108.800 0.032 0.000 2.545 356 G HA2 -0.136 3.824 3.960 0.000 0.000 0.212 356 G HA3 -0.136 3.824 3.960 0.000 0.000 0.212 356 G C 0.739 175.711 174.900 0.121 0.000 1.144 356 G CA 0.556 45.709 45.100 0.089 0.000 0.813 356 G HN 0.627 nan 8.290 nan 0.000 0.531 357 W N -1.162 120.055 121.300 -0.137 0.000 4.729 357 W HA 0.272 4.932 4.660 0.000 0.000 0.165 357 W C 1.697 178.127 176.519 -0.148 0.000 3.407 357 W CA 0.292 57.563 57.345 -0.123 0.000 1.489 357 W CB -0.695 28.746 29.460 -0.032 0.000 1.856 357 W HN 0.001 nan 8.180 nan 0.000 0.641 358 L N 2.243 123.406 121.223 -0.099 0.000 2.064 358 L HA -0.321 4.019 4.340 0.000 0.000 0.234 358 L C 2.107 178.715 176.870 -0.437 0.000 1.103 358 L CA 3.321 57.944 54.840 -0.362 0.000 0.824 358 L CB -1.226 40.916 42.059 0.138 0.000 0.919 358 L HN 0.312 nan 8.230 nan 0.000 0.447 359 I N -1.069 119.297 120.570 -0.340 0.000 2.252 359 I HA -0.183 3.987 4.170 0.000 0.000 0.245 359 I C -0.419 175.385 176.117 -0.522 0.000 1.102 359 I CA 1.124 62.217 61.300 -0.345 0.000 1.385 359 I CB -1.587 36.289 38.000 -0.206 0.000 1.064 359 I HN 0.295 nan 8.210 nan 0.000 0.414 360 P HA -0.121 nan 4.420 nan 0.000 0.225 360 P C 0.798 177.869 177.300 -0.382 0.000 1.148 360 P CA 1.142 63.714 63.100 -0.879 0.000 0.779 360 P CB 0.084 31.180 31.700 -1.007 0.000 0.780 364 M N 0.035 119.627 119.600 -0.012 0.000 2.383 364 M HA 0.224 4.704 4.480 0.000 0.000 0.247 364 M C 0.295 176.687 176.300 0.154 0.000 1.117 364 M CA 0.104 55.473 55.300 0.114 0.000 0.995 364 M CB 0.698 33.439 32.600 0.234 0.000 1.480 364 M HN 0.161 nan 8.290 nan 0.000 0.485 365 S N 0.888 116.638 115.700 0.082 0.000 3.436 365 S HA -0.187 4.283 4.470 0.000 0.000 0.393 365 S C -0.607 174.085 174.600 0.152 0.000 0.914 365 S CA 0.378 58.626 58.200 0.079 0.000 1.317 365 S CB -1.675 61.549 63.200 0.040 0.000 0.920 365 S HN 0.411 nan 8.310 nan 0.000 0.564 366 Y N 1.435 121.739 120.300 0.007 0.000 2.301 366 Y HA 0.383 4.933 4.550 0.000 0.000 0.325 366 Y C -1.651 174.283 175.900 0.056 0.000 1.203 366 Y CA -1.834 56.303 58.100 0.061 0.000 1.255 366 Y CB 0.565 39.082 38.460 0.095 0.000 1.232 366 Y HN 0.112 nan 8.280 nan 0.000 0.501 367 P HA 0.139 nan 4.420 nan 0.000 0.249 367 P C -0.920 176.435 177.300 0.090 0.000 1.686 367 P CA 0.645 63.764 63.100 0.031 0.000 0.873 367 P CB -0.393 31.277 31.700 -0.050 0.000 1.828 368 L N 0.110 121.423 121.223 0.150 0.000 2.599 368 L HA 0.207 4.547 4.340 0.000 0.000 0.241 368 L C 1.303 178.242 176.870 0.115 0.000 1.207 368 L CA -0.070 54.860 54.840 0.150 0.000 0.987 368 L CB 0.539 42.730 42.059 0.219 0.000 1.318 368 L HN 0.082 nan 8.230 nan 0.000 0.458 369 S N -1.215 114.535 115.700 0.083 0.000 2.452 369 S HA 0.015 4.486 4.470 0.000 0.000 0.225 369 S C 1.421 176.059 174.600 0.064 0.000 1.057 369 S CA -0.116 58.127 58.200 0.072 0.000 0.949 369 S CB 0.104 63.337 63.200 0.055 0.000 0.836 369 S HN 0.410 nan 8.310 nan 0.000 0.518 370 E N 1.842 122.074 120.200 0.054 0.000 2.209 370 E HA 0.019 4.369 4.350 0.000 0.000 0.196 370 E C 1.616 178.248 176.600 0.054 0.000 0.993 370 E CA 0.923 57.350 56.400 0.046 0.000 0.819 370 E CB -0.945 28.777 29.700 0.036 0.000 0.745 370 E HN 0.813 nan 8.360 nan 0.000 0.477 371 G N 1.138 109.980 108.800 0.070 0.000 2.143 371 G HA2 -0.309 3.651 3.960 0.000 0.000 0.248 371 G HA3 -0.309 3.651 3.960 0.000 0.000 0.248 371 G C 0.108 175.052 174.900 0.073 0.000 0.991 371 G CA 0.727 45.874 45.100 0.079 0.000 0.689 371 G HN 0.354 nan 8.290 nan 0.000 0.522 372 Q N -1.637 118.200 119.800 0.062 0.000 2.484 372 Q HA 0.913 5.253 4.340 0.000 0.000 0.285 372 Q C -0.786 175.237 176.000 0.039 0.000 1.097 372 Q CA -0.958 54.876 55.803 0.051 0.000 0.802 372 Q CB 2.612 31.372 28.738 0.038 0.000 1.444 372 Q HN 0.352 nan 8.270 nan 0.000 0.429 373 L N 0.854 122.095 121.223 0.029 0.000 2.622 373 L HA 0.560 4.900 4.340 0.000 0.000 0.258 373 L C -2.199 174.670 176.870 -0.001 0.000 0.996 373 L CA -0.286 54.551 54.840 -0.005 0.000 0.858 373 L CB 2.523 44.566 42.059 -0.027 0.000 1.449 373 L HN 0.841 nan 8.230 nan 0.000 0.411 374 D N 1.499 121.885 120.400 -0.023 0.000 2.859 374 D HA 0.232 4.872 4.640 0.000 0.000 0.223 374 D C -0.062 176.230 176.300 -0.013 0.000 1.218 374 D CA -0.498 53.499 54.000 -0.005 0.000 0.850 374 D CB 1.439 42.239 40.800 0.000 0.000 1.656 374 D HN 0.546 nan 8.370 nan 0.000 0.484 375 Q N 1.500 121.306 119.800 0.011 0.000 2.066 375 Q HA -0.302 4.038 4.340 0.000 0.000 0.216 375 Q C 1.531 177.535 176.000 0.007 0.000 1.035 375 Q CA 2.291 58.106 55.803 0.020 0.000 0.897 375 Q CB -0.451 28.303 28.738 0.028 0.000 1.010 375 Q HN 0.611 nan 8.270 nan 0.000 0.416 376 K N -0.361 120.041 120.400 0.003 0.000 2.059 376 K HA -0.156 4.164 4.320 0.000 0.000 0.212 376 K C 2.229 178.824 176.600 -0.007 0.000 1.050 376 K CA 2.012 58.299 56.287 0.001 0.000 0.927 376 K CB -0.296 32.204 32.500 -0.001 0.000 0.714 376 K HN 0.263 nan 8.250 nan 0.000 0.447 377 T N 0.534 115.072 114.554 -0.027 0.000 2.985 377 T HA 0.005 4.355 4.350 0.000 0.000 0.266 377 T C 1.931 176.570 174.700 -0.102 0.000 1.076 377 T CA 0.918 62.989 62.100 -0.048 0.000 1.135 377 T CB -0.097 68.738 68.868 -0.055 0.000 0.890 377 T HN 0.319 nan 8.240 nan 0.000 0.480 378 A N 1.869 124.609 122.820 -0.133 0.000 1.858 378 A HA -0.022 4.298 4.320 0.000 0.000 0.216 378 A C 2.313 179.863 177.584 -0.057 0.000 1.190 378 A CA 1.398 53.281 52.037 -0.256 0.000 0.617 378 A CB -0.694 18.222 19.000 -0.141 0.000 0.827 378 A HN 0.421 nan 8.150 nan 0.000 0.443 379 M N -0.880 118.745 119.600 0.043 0.000 2.213 379 M HA -0.119 4.361 4.480 0.000 0.000 0.263 379 M C 2.465 178.857 176.300 0.152 0.000 1.062 379 M CA 1.631 57.002 55.300 0.118 0.000 1.105 379 M CB -0.233 32.411 32.600 0.073 0.000 1.385 379 M HN 0.486 nan 8.290 nan 0.000 0.417 380 S N 0.499 116.257 115.700 0.097 0.000 2.395 380 S HA -0.010 4.460 4.470 0.000 0.000 0.225 380 S C 1.728 176.427 174.600 0.165 0.000 1.027 380 S CA 0.638 58.922 58.200 0.140 0.000 0.965 380 S CB -0.060 63.184 63.200 0.073 0.000 0.812 380 S HN 0.452 nan 8.310 nan 0.000 0.482 381 L N 0.717 121.987 121.223 0.078 0.000 2.072 381 L HA 0.019 4.359 4.340 0.000 0.000 0.205 381 L C 2.265 179.312 176.870 0.294 0.000 1.079 381 L CA 1.004 55.897 54.840 0.087 0.000 0.752 381 L CB -0.285 41.715 42.059 -0.098 0.000 0.906 381 L HN 0.349 nan 8.230 nan 0.000 0.436 382 L N -0.359 121.121 121.223 0.427 0.000 2.012 382 L HA -0.291 4.049 4.340 0.000 0.000 0.210 382 L C 2.239 179.337 176.870 0.380 0.000 1.073 382 L CA 2.054 57.189 54.840 0.492 0.000 0.748 382 L CB -0.944 41.417 42.059 0.503 0.000 0.891 382 L HN 0.488 nan 8.230 nan 0.000 0.431 383 W N 0.568 121.976 121.300 0.180 0.000 2.338 383 W HA -0.289 4.371 4.660 0.000 0.000 0.304 383 W C 2.319 178.938 176.519 0.167 0.000 1.212 383 W CA 1.748 59.194 57.345 0.168 0.000 1.264 383 W CB -0.039 29.484 29.460 0.104 0.000 1.142 383 W HN 0.215 nan 8.180 nan 0.000 0.512 384 K N 0.422 120.848 120.400 0.043 0.000 2.211 384 K HA -0.099 4.221 4.320 0.000 0.000 0.203 384 K C 1.643 178.199 176.600 -0.074 0.000 1.050 384 K CA 1.462 57.673 56.287 -0.126 0.000 0.945 384 K CB -0.195 32.286 32.500 -0.031 0.000 0.732 384 K HN -0.084 nan 8.250 nan 0.000 0.451 385 S N 0.550 116.282 115.700 0.054 0.000 2.754 385 S HA -0.027 4.443 4.470 0.000 0.000 0.223 385 S C 0.736 175.348 174.600 0.019 0.000 0.951 385 S CA -0.307 57.947 58.200 0.089 0.000 0.954 385 S CB -0.309 63.017 63.200 0.211 0.000 0.780 385 S HN 0.352 nan 8.310 nan 0.000 0.509 386 Y N 3.780 123.971 120.300 -0.183 0.000 2.181 386 Y HA -0.158 4.392 4.550 0.000 0.000 0.284 386 Y C -0.671 175.139 175.900 -0.150 0.000 1.179 386 Y CA 1.780 59.749 58.100 -0.218 0.000 1.179 386 Y CB -0.918 37.253 38.460 -0.481 0.000 0.973 386 Y HN 0.284 nan 8.280 nan 0.000 0.519 387 P HA -0.133 nan 4.420 nan 0.000 0.230 387 P C 1.057 178.294 177.300 -0.106 0.000 1.158 387 P CA 1.490 64.578 63.100 -0.020 0.000 0.769 387 P CB 0.048 31.762 31.700 0.024 0.000 0.807 388 L N -0.531 120.611 121.223 -0.135 0.000 2.356 388 L HA 0.023 4.363 4.340 0.000 0.000 0.193 388 L C 2.665 179.367 176.870 -0.280 0.000 1.087 388 L CA 0.655 55.384 54.840 -0.185 0.000 0.817 388 L CB -0.839 41.122 42.059 -0.162 0.000 1.035 388 L HN -0.214 nan 8.230 nan 0.000 0.482 389 V N -4.592 115.145 119.914 -0.294 0.000 3.052 389 V HA 0.008 4.128 4.120 0.000 0.000 0.254 389 V C 1.347 177.256 176.094 -0.308 0.000 1.100 389 V CA -0.141 61.968 62.300 -0.319 0.000 1.112 389 V CB -0.275 31.368 31.823 -0.300 0.000 0.738 389 V HN 0.617 nan 8.190 nan 0.000 0.469 390 C N 0.848 119.860 119.300 -0.479 0.000 4.365 390 C HA -0.175 4.285 4.460 0.000 0.000 0.299 390 C C 0.690 175.479 174.990 -0.334 0.000 1.409 390 C CA 0.226 58.796 59.018 -0.748 0.000 2.007 390 C CB -2.791 24.659 27.740 -0.483 0.000 1.264 390 C HN 0.678 nan 8.230 nan 0.000 0.777 391 I N 1.289 121.772 120.570 -0.146 0.000 2.474 391 I HA 0.426 4.597 4.170 0.000 0.000 0.287 391 I C 1.025 177.334 176.117 0.321 0.000 1.048 391 I CA 0.268 61.633 61.300 0.109 0.000 1.383 391 I CB 0.886 38.959 38.000 0.121 0.000 1.412 391 I HN 0.478 nan 8.210 nan 0.000 0.531 392 A N 5.850 128.848 122.820 0.296 0.000 2.366 392 A HA 0.135 4.455 4.320 0.000 0.000 0.249 392 A C 1.268 179.034 177.584 0.304 0.000 1.084 392 A CA -0.226 52.041 52.037 0.383 0.000 0.794 392 A CB 0.400 19.530 19.000 0.217 0.000 1.034 392 A HN 0.898 nan 8.150 nan 0.000 0.491 393 K N 0.257 120.758 120.400 0.168 0.000 2.007 393 K HA -0.151 4.169 4.320 0.000 0.000 0.206 393 K C 1.636 178.164 176.600 -0.120 0.000 1.047 393 K CA 1.813 57.982 56.287 -0.196 0.000 0.937 393 K CB -0.198 31.804 32.500 -0.830 0.000 0.718 393 K HN 0.872 nan 8.250 nan 0.000 0.438 394 E N 0.468 120.614 120.200 -0.089 0.000 2.510 394 E HA -0.162 4.188 4.350 0.000 0.000 0.202 394 E C 1.157 177.738 176.600 -0.032 0.000 1.072 394 E CA 0.747 57.108 56.400 -0.064 0.000 0.883 394 E CB -0.103 29.570 29.700 -0.046 0.000 0.818 394 E HN 0.385 nan 8.360 nan 0.000 0.548 395 L N 0.014 121.232 121.223 -0.009 0.000 2.701 395 L HA 0.137 4.477 4.340 0.000 0.000 0.238 395 L C 1.834 178.721 176.870 0.027 0.000 1.106 395 L CA -0.380 54.451 54.840 -0.014 0.000 0.898 395 L CB 0.040 42.069 42.059 -0.050 0.000 1.188 395 L HN 0.123 nan 8.230 nan 0.000 0.508 396 I N 1.188 121.793 120.570 0.059 0.000 2.151 396 I HA -0.184 3.986 4.170 0.000 0.000 0.243 396 I C -0.077 176.096 176.117 0.093 0.000 1.080 396 I CA 1.926 63.292 61.300 0.110 0.000 1.339 396 I CB -2.255 35.815 38.000 0.118 0.000 1.039 396 I HN 0.163 nan 8.210 nan 0.000 0.409 397 P HA -0.180 nan 4.420 nan 0.000 0.215 397 P C 1.737 179.074 177.300 0.062 0.000 1.153 397 P CA 1.461 64.590 63.100 0.048 0.000 0.853 397 P CB -0.020 31.691 31.700 0.018 0.000 0.788 398 E N -0.710 119.522 120.200 0.053 0.000 2.150 398 E HA -0.132 4.218 4.350 0.000 0.000 0.193 398 E C 1.873 178.563 176.600 0.150 0.000 0.985 398 E CA 0.957 57.402 56.400 0.076 0.000 0.814 398 E CB -0.377 29.342 29.700 0.033 0.000 0.752 398 E HN 0.080 nan 8.360 nan 0.000 0.466 399 A N -0.237 122.662 122.820 0.132 0.000 2.067 399 A HA -0.047 4.273 4.320 0.000 0.000 0.217 399 A C 2.112 179.804 177.584 0.180 0.000 1.156 399 A CA 1.257 53.396 52.037 0.170 0.000 0.683 399 A CB -0.121 18.997 19.000 0.197 0.000 0.808 399 A HN 0.189 nan 8.150 nan 0.000 0.455 400 T N -0.969 113.684 114.554 0.165 0.000 3.031 400 T HA 0.007 4.357 4.350 0.000 0.000 0.254 400 T C 1.615 176.399 174.700 0.140 0.000 1.060 400 T CA 1.252 63.459 62.100 0.179 0.000 1.135 400 T CB 0.005 68.970 68.868 0.161 0.000 0.896 400 T HN 0.488 nan 8.240 nan 0.000 0.472 401 E N 0.978 121.234 120.200 0.094 0.000 2.494 401 E HA 0.053 4.403 4.350 0.000 0.000 0.193 401 E C 1.660 178.267 176.600 0.012 0.000 1.074 401 E CA 0.564 56.996 56.400 0.053 0.000 0.867 401 E CB 0.085 29.807 29.700 0.037 0.000 0.924 401 E HN 0.194 nan 8.360 nan 0.000 0.502 402 K N -1.568 118.837 120.400 0.010 0.000 2.399 402 K HA 0.119 4.439 4.320 0.000 0.000 0.196 402 K C 0.490 177.042 176.600 -0.080 0.000 1.117 402 K CA 0.571 56.766 56.287 -0.153 0.000 0.965 402 K CB -0.048 32.145 32.500 -0.511 0.000 0.983 402 K HN 0.076 nan 8.250 nan 0.000 0.531 403 Y N -0.220 120.023 120.300 -0.095 0.000 2.442 403 Y HA 0.338 4.888 4.550 0.000 0.000 0.250 403 Y C 0.914 176.843 175.900 0.050 0.000 1.113 403 Y CA 0.304 58.401 58.100 -0.005 0.000 1.273 403 Y CB 0.742 39.263 38.460 0.101 0.000 1.138 403 Y HN -0.092 nan 8.280 nan 0.000 0.522 404 L N -2.865 118.470 121.223 0.187 0.000 3.128 404 L HA 0.381 4.721 4.340 0.000 0.000 0.277 404 L C 1.993 178.909 176.870 0.077 0.000 1.171 404 L CA 0.445 55.370 54.840 0.142 0.000 1.008 404 L CB 0.065 42.227 42.059 0.172 0.000 1.442 404 L HN 0.005 nan 8.230 nan 0.000 0.584 405 G N 0.376 109.206 108.800 0.051 0.000 2.990 405 G HA2 0.070 4.030 3.960 0.000 0.000 0.206 405 G HA3 0.070 4.030 3.960 0.000 0.000 0.206 405 G C 1.232 176.136 174.900 0.007 0.000 1.169 405 G CA 0.725 45.839 45.100 0.024 0.000 0.819 405 G HN 0.415 nan 8.290 nan 0.000 0.517 406 G N -0.066 108.738 108.800 0.007 0.000 2.486 406 G HA2 0.242 4.202 3.960 0.000 0.000 0.210 406 G HA3 0.242 4.202 3.960 0.000 0.000 0.210 406 G C 0.957 175.863 174.900 0.009 0.000 1.168 406 G CA 1.095 46.194 45.100 -0.003 0.000 0.820 406 G HN 0.569 nan 8.290 nan 0.000 0.544 407 T N -2.161 112.406 114.554 0.022 0.000 2.938 407 T HA 0.532 4.882 4.350 0.000 0.000 0.285 407 T C -0.028 174.691 174.700 0.030 0.000 1.028 407 T CA -0.457 61.658 62.100 0.025 0.000 1.005 407 T CB 2.224 71.111 68.868 0.032 0.000 1.157 407 T HN -0.030 nan 8.240 nan 0.000 0.550 408 D N -1.112 119.304 120.400 0.027 0.000 2.454 408 D HA 0.061 4.701 4.640 0.000 0.000 0.219 408 D C 0.028 176.346 176.300 0.030 0.000 1.081 408 D CA -0.088 53.928 54.000 0.027 0.000 0.867 408 D CB 0.067 40.879 40.800 0.020 0.000 1.054 408 D HN 0.577 nan 8.370 nan 0.000 0.500 409 D N 2.676 123.095 120.400 0.032 0.000 2.455 409 D HA -0.067 4.573 4.640 0.000 0.000 0.265 409 D C 1.454 177.780 176.300 0.043 0.000 1.284 409 D CA 0.343 54.364 54.000 0.034 0.000 0.944 409 D CB 0.734 41.554 40.800 0.035 0.000 1.121 409 D HN 0.056 nan 8.370 nan 0.000 0.525 410 T N 0.347 114.924 114.554 0.039 0.000 2.969 410 T HA -0.134 4.216 4.350 0.000 0.000 0.271 410 T C 1.760 176.494 174.700 0.055 0.000 1.127 410 T CA 0.741 62.867 62.100 0.043 0.000 1.102 410 T CB -0.023 68.864 68.868 0.032 0.000 0.855 410 T HN 0.224 nan 8.240 nan 0.000 0.536 411 V N 0.784 120.731 119.914 0.056 0.000 2.725 411 V HA 0.075 4.195 4.120 0.000 0.000 0.247 411 V C 2.601 178.744 176.094 0.082 0.000 1.058 411 V CA 1.064 63.403 62.300 0.066 0.000 1.080 411 V CB -0.234 31.622 31.823 0.054 0.000 0.713 411 V HN 0.457 nan 8.190 nan 0.000 0.465 412 K N 0.067 120.513 120.400 0.076 0.000 2.228 412 K HA -0.042 4.278 4.320 0.000 0.000 0.202 412 K C 2.109 178.779 176.600 0.117 0.000 1.051 412 K CA 0.706 57.045 56.287 0.087 0.000 0.960 412 K CB -0.063 32.477 32.500 0.067 0.000 0.743 412 K HN 0.344 nan 8.250 nan 0.000 0.458 413 K N 1.128 121.596 120.400 0.114 0.000 2.148 413 K HA -0.132 4.188 4.320 0.000 0.000 0.204 413 K C 2.094 178.817 176.600 0.205 0.000 1.050 413 K CA 0.987 57.361 56.287 0.145 0.000 0.942 413 K CB 0.085 32.649 32.500 0.106 0.000 0.724 413 K HN 0.042 nan 8.250 nan 0.000 0.446 414 K N 1.074 121.583 120.400 0.181 0.000 2.062 414 K HA -0.144 4.176 4.320 0.000 0.000 0.205 414 K C 1.252 178.026 176.600 0.291 0.000 1.051 414 K CA 1.446 57.875 56.287 0.237 0.000 0.941 414 K CB 0.123 32.727 32.500 0.173 0.000 0.719 414 K HN 0.046 nan 8.250 nan 0.000 0.440 415 D N 1.040 121.569 120.400 0.215 0.000 2.178 415 D HA -0.140 4.500 4.640 0.000 0.000 0.201 415 D C 1.982 178.421 176.300 0.232 0.000 0.980 415 D CA 0.919 55.038 54.000 0.199 0.000 0.842 415 D CB 0.047 40.933 40.800 0.144 0.000 0.948 415 D HN 0.248 nan 8.370 nan 0.000 0.472 416 L N -0.369 121.005 121.223 0.251 0.000 2.240 416 L HA -0.068 4.272 4.340 0.000 0.000 0.211 416 L C 2.230 179.331 176.870 0.385 0.000 1.106 416 L CA 0.259 55.276 54.840 0.295 0.000 0.793 416 L CB -0.192 42.023 42.059 0.261 0.000 0.927 416 L HN -0.059 nan 8.230 nan 0.000 0.446 417 F N 0.646 120.731 119.950 0.225 0.000 2.113 417 F HA -0.166 4.361 4.527 0.000 0.000 0.297 417 F C 2.129 178.058 175.800 0.215 0.000 1.103 417 F CA 1.423 59.546 58.000 0.205 0.000 1.248 417 F CB -0.173 38.941 39.000 0.190 0.000 0.999 417 F HN -0.145 nan 8.300 nan 0.000 0.475 418 L N -0.044 121.349 121.223 0.285 0.000 2.127 418 L HA -0.248 4.092 4.340 0.000 0.000 0.211 418 L C 2.144 179.124 176.870 0.184 0.000 1.089 418 L CA 1.499 56.498 54.840 0.266 0.000 0.757 418 L CB -0.758 41.482 42.059 0.301 0.000 0.899 418 L HN 0.178 nan 8.230 nan 0.000 0.434 419 D N -0.289 120.232 120.400 0.202 0.000 2.149 419 D HA -0.141 4.499 4.640 0.000 0.000 0.201 419 D C 2.139 178.575 176.300 0.226 0.000 0.972 419 D CA 0.701 54.845 54.000 0.239 0.000 0.835 419 D CB 0.175 41.151 40.800 0.293 0.000 0.966 419 D HN 0.154 nan 8.370 nan 0.000 0.476 420 L N 1.688 122.969 121.223 0.097 0.000 1.955 420 L HA -0.180 4.160 4.340 0.000 0.000 0.213 420 L C 2.345 179.013 176.870 -0.337 0.000 1.072 420 L CA 1.513 56.182 54.840 -0.284 0.000 0.755 420 L CB -1.110 40.695 42.059 -0.424 0.000 0.888 420 L HN 0.008 nan 8.230 nan 0.000 0.432 421 I N 0.318 120.593 120.570 -0.492 0.000 2.248 421 I HA -0.321 3.849 4.170 0.000 0.000 0.248 421 I C 2.784 178.673 176.117 -0.380 0.000 1.107 421 I CA 1.243 62.178 61.300 -0.609 0.000 1.373 421 I CB -0.623 36.748 38.000 -1.049 0.000 1.055 421 I HN 0.371 nan 8.210 nan 0.000 0.418 422 A N 0.765 123.520 122.820 -0.108 0.000 1.858 422 A HA -0.249 4.071 4.320 0.000 0.000 0.216 422 A C 1.981 179.633 177.584 0.113 0.000 1.190 422 A CA 2.162 54.282 52.037 0.139 0.000 0.617 422 A CB -0.703 18.416 19.000 0.198 0.000 0.827 422 A HN 0.325 nan 8.150 nan 0.000 0.443 423 D N -0.320 120.128 120.400 0.081 0.000 2.133 423 D HA -0.124 4.516 4.640 0.000 0.000 0.195 423 D C 1.994 178.190 176.300 -0.173 0.000 0.997 423 D CA 1.597 55.645 54.000 0.080 0.000 0.840 423 D CB -0.361 40.640 40.800 0.335 0.000 0.947 423 D HN 0.242 nan 8.370 nan 0.000 0.452 424 V N 0.429 120.083 119.914 -0.432 0.000 2.591 424 V HA -0.140 3.980 4.120 0.000 0.000 0.249 424 V C 2.347 178.183 176.094 -0.429 0.000 1.053 424 V CA 1.082 63.004 62.300 -0.629 0.000 1.068 424 V CB -0.304 31.003 31.823 -0.860 0.000 0.689 424 V HN 0.217 nan 8.190 nan 0.000 0.462 425 M N -1.475 117.895 119.600 -0.384 0.000 2.287 425 M HA 0.096 4.576 4.480 0.000 0.000 0.266 425 M C 1.869 177.785 176.300 -0.640 0.000 1.079 425 M CA 1.960 56.924 55.300 -0.559 0.000 1.146 425 M CB -0.131 32.038 32.600 -0.717 0.000 1.374 425 M HN 0.370 nan 8.290 nan 0.000 0.435 426 F N -1.024 118.856 119.950 -0.117 0.000 2.549 426 F HA 0.356 4.883 4.527 0.000 0.000 0.275 426 F C 2.358 178.117 175.800 -0.069 0.000 0.990 426 F CA 0.164 58.125 58.000 -0.064 0.000 1.274 426 F CB -1.338 37.665 39.000 0.005 0.000 1.064 426 F HN 0.045 nan 8.300 nan 0.000 0.715 427 G N 1.271 110.167 108.800 0.161 0.000 2.910 427 G HA2 -0.228 3.732 3.960 0.000 0.000 0.206 427 G HA3 -0.228 3.732 3.960 0.000 0.000 0.206 427 G C 1.755 176.674 174.900 0.032 0.000 1.406 427 G CA 1.802 46.950 45.100 0.081 0.000 0.816 427 G HN 0.109 nan 8.290 nan 0.000 0.669 428 V N 2.660 122.599 119.914 0.042 0.000 2.250 428 V HA -0.207 3.913 4.120 0.000 0.000 0.253 428 V C 0.569 176.661 176.094 -0.003 0.000 1.065 428 V CA 2.832 65.166 62.300 0.057 0.000 1.039 428 V CB -1.384 30.488 31.823 0.083 0.000 0.647 428 V HN 0.338 nan 8.190 nan 0.000 0.446 429 P HA -0.142 nan 4.420 nan 0.000 0.213 429 P C 2.085 179.346 177.300 -0.065 0.000 1.170 429 P CA 2.186 65.234 63.100 -0.087 0.000 0.902 429 P CB -0.166 31.447 31.700 -0.146 0.000 0.789 430 S N -0.827 114.836 115.700 -0.060 0.000 2.365 430 S HA -0.142 4.328 4.470 0.000 0.000 0.225 430 S C 2.019 176.543 174.600 -0.126 0.000 1.039 430 S CA 1.445 59.590 58.200 -0.092 0.000 1.033 430 S CB -1.329 61.818 63.200 -0.088 0.000 0.887 430 S HN -0.071 nan 8.310 nan 0.000 0.447 431 V N 1.970 121.825 119.914 -0.097 0.000 2.261 431 V HA -0.146 3.974 4.120 0.000 0.000 0.246 431 V C 2.051 178.134 176.094 -0.019 0.000 1.047 431 V CA 1.544 63.789 62.300 -0.092 0.000 1.015 431 V CB -0.582 31.226 31.823 -0.025 0.000 0.642 431 V HN 0.460 nan 8.190 nan 0.000 0.446 432 I N -0.283 120.295 120.570 0.012 0.000 2.530 432 I HA -0.214 3.956 4.170 0.000 0.000 0.257 432 I C 2.240 178.379 176.117 0.036 0.000 1.179 432 I CA 0.993 62.317 61.300 0.040 0.000 1.440 432 I CB -0.242 37.774 38.000 0.027 0.000 1.087 432 I HN 0.184 nan 8.210 nan 0.000 0.440 433 V N 0.788 120.703 119.914 0.001 0.000 2.379 433 V HA -0.245 3.875 4.120 0.000 0.000 0.245 433 V C 2.684 178.816 176.094 0.064 0.000 1.044 433 V CA 1.880 64.198 62.300 0.030 0.000 1.036 433 V CB -0.840 30.983 31.823 0.001 0.000 0.664 433 V HN 0.486 nan 8.190 nan 0.000 0.453 434 A N 0.001 122.798 122.820 -0.037 0.000 1.877 434 A HA -0.225 4.095 4.320 0.000 0.000 0.216 434 A C 2.364 180.077 177.584 0.215 0.000 1.186 434 A CA 1.772 53.788 52.037 -0.035 0.000 0.620 434 A CB -0.526 18.210 19.000 -0.440 0.000 0.822 434 A HN 0.479 nan 8.150 nan 0.000 0.443 435 R N -0.439 120.215 120.500 0.256 0.000 2.127 435 R HA -0.129 4.211 4.340 0.000 0.000 0.238 435 R C 1.824 178.226 176.300 0.169 0.000 1.134 435 R CA 1.675 57.939 56.100 0.274 0.000 0.975 435 R CB -0.428 29.995 30.300 0.204 0.000 0.865 435 R HN 0.697 nan 8.270 nan 0.000 0.447 436 N N -0.925 117.863 118.700 0.147 0.000 2.354 436 N HA -0.129 4.611 4.740 0.000 0.000 0.179 436 N C 1.585 177.180 175.510 0.142 0.000 1.021 436 N CA 0.387 53.507 53.050 0.117 0.000 0.887 436 N CB 0.040 38.585 38.487 0.097 0.000 0.974 436 N HN 0.227 nan 8.380 nan 0.000 0.437 437 H N 1.072 120.212 119.070 0.117 0.000 2.448 437 H HA 0.132 4.688 4.556 0.000 0.000 0.292 437 H C 2.162 177.561 175.328 0.118 0.000 1.035 437 H CA 1.045 57.176 56.048 0.139 0.000 1.349 437 H CB 0.258 30.162 29.762 0.237 0.000 1.425 437 H HN -0.024 nan 8.280 nan 0.000 0.539 438 R N 0.361 120.955 120.500 0.156 0.000 2.064 438 R HA -0.120 4.220 4.340 0.000 0.000 0.228 438 R C 1.239 177.543 176.300 0.005 0.000 1.144 438 R CA 2.011 58.165 56.100 0.089 0.000 0.932 438 R CB -0.261 30.136 30.300 0.161 0.000 0.833 438 R HN 0.286 nan 8.270 nan 0.000 0.429 439 D N 0.358 120.775 120.400 0.028 0.000 2.271 439 D HA -0.139 4.501 4.640 0.000 0.000 0.207 439 D C 1.457 177.746 176.300 -0.019 0.000 0.983 439 D CA 1.358 55.361 54.000 0.005 0.000 0.878 439 D CB -0.067 40.746 40.800 0.023 0.000 0.920 439 D HN 0.442 nan 8.370 nan 0.000 0.479 440 A N -0.506 122.286 122.820 -0.045 0.000 2.119 440 A HA 0.376 4.696 4.320 0.000 0.000 0.216 440 A C 1.647 179.177 177.584 -0.089 0.000 1.152 440 A CA 1.133 53.131 52.037 -0.066 0.000 0.708 440 A CB -0.076 18.867 19.000 -0.094 0.000 0.805 440 A HN 0.281 nan 8.150 nan 0.000 0.460 441 G N -2.356 106.380 108.800 -0.106 0.000 2.327 441 G HA2 0.386 4.346 3.960 0.000 0.000 0.159 441 G HA3 0.386 4.346 3.960 0.000 0.000 0.159 441 G C -0.129 174.698 174.900 -0.123 0.000 1.056 441 G CA -0.023 45.024 45.100 -0.089 0.000 0.751 441 G HN 1.636 nan 8.290 nan 0.000 0.488 442 A N -0.363 122.354 122.820 -0.172 0.000 2.515 442 A HA 0.925 5.245 4.320 0.000 0.000 0.298 442 A C -2.999 174.590 177.584 0.008 0.000 1.059 442 A CA -1.610 50.345 52.037 -0.137 0.000 0.698 442 A CB 1.805 20.603 19.000 -0.336 0.000 1.289 442 A HN 0.063 nan 8.150 nan 0.000 0.404 443 P HA 0.171 nan 4.420 nan 0.000 0.259 443 P C -0.487 176.958 177.300 0.243 0.000 1.211 443 P CA 0.965 64.138 63.100 0.122 0.000 0.810 443 P CB 0.330 32.131 31.700 0.168 0.000 0.815 444 T N 3.992 118.613 114.554 0.112 0.000 2.823 444 T HA 0.476 4.826 4.350 0.000 0.000 0.279 444 T C -0.736 173.901 174.700 -0.106 0.000 0.998 444 T CA -0.163 62.034 62.100 0.163 0.000 0.994 444 T CB 0.543 69.572 68.868 0.268 0.000 0.960 444 T HN 0.106 nan 8.240 nan 0.000 0.448 445 Y N 1.730 122.016 120.300 -0.024 0.000 2.406 445 Y HA 0.600 5.150 4.550 0.000 0.000 0.340 445 Y C 0.103 175.940 175.900 -0.106 0.000 0.975 445 Y CA -0.999 57.045 58.100 -0.094 0.000 1.056 445 Y CB 1.829 40.010 38.460 -0.465 0.000 1.210 445 Y HN 0.377 nan 8.280 nan 0.000 0.448 446 M N 3.708 123.477 119.600 0.281 0.000 2.716 446 M HA 0.548 5.028 4.480 0.000 0.000 0.307 446 M C -1.461 175.130 176.300 0.485 0.000 1.223 446 M CA -1.031 54.340 55.300 0.118 0.000 0.871 446 M CB 2.991 35.454 32.600 -0.228 0.000 1.739 446 M HN 0.784 nan 8.290 nan 0.000 0.475 447 Y N -1.328 119.119 120.300 0.244 0.000 2.624 447 Y HA 0.621 5.171 4.550 0.000 0.000 0.334 447 Y C -1.625 174.378 175.900 0.170 0.000 1.155 447 Y CA -1.014 57.229 58.100 0.237 0.000 1.046 447 Y CB 1.448 40.071 38.460 0.273 0.000 1.316 447 Y HN 0.702 nan 8.280 nan 0.000 0.457 448 E N 3.236 123.699 120.200 0.439 0.000 2.402 448 E HA 0.266 4.616 4.350 0.000 0.000 0.244 448 E C -1.968 174.890 176.600 0.429 0.000 0.945 448 E CA -0.772 55.815 56.400 0.311 0.000 0.774 448 E CB 0.821 30.621 29.700 0.166 0.000 1.296 448 E HN 0.643 nan 8.360 nan 0.000 0.414 449 F N 3.385 123.598 119.950 0.439 0.000 2.578 449 F HA 0.055 4.582 4.527 0.000 0.000 0.376 449 F C 0.212 176.135 175.800 0.206 0.000 1.085 449 F CA 0.768 58.941 58.000 0.288 0.000 1.260 449 F CB 0.727 39.901 39.000 0.290 0.000 1.095 449 F HN 0.502 nan 8.300 nan 0.000 0.573 450 Q N 6.909 126.558 119.800 -0.251 0.000 3.090 450 Q HA 0.240 4.580 4.340 0.000 0.000 0.241 450 Q C -2.252 173.701 176.000 -0.078 0.000 0.958 450 Q CA -0.550 55.231 55.803 -0.037 0.000 0.715 450 Q CB 0.613 29.359 28.738 0.014 0.000 1.298 450 Q HN 0.763 nan 8.270 nan 0.000 0.468 451 Y N 0.485 120.705 120.300 -0.134 0.000 2.558 451 Y HA 0.430 4.980 4.550 0.000 0.000 0.333 451 Y C -1.893 174.099 175.900 0.154 0.000 1.125 451 Y CA -0.950 57.117 58.100 -0.055 0.000 1.039 451 Y CB 1.617 39.948 38.460 -0.216 0.000 1.331 451 Y HN 0.436 nan 8.280 nan 0.000 0.456 452 R N 6.902 127.032 120.500 -0.617 0.000 2.239 452 R HA 0.479 4.819 4.340 0.000 0.000 0.332 452 R C -2.792 173.144 176.300 -0.608 0.000 0.988 452 R CA -1.993 53.861 56.100 -0.409 0.000 0.859 452 R CB 0.923 31.018 30.300 -0.342 0.000 1.148 452 R HN 0.430 nan 8.270 nan 0.000 0.482 453 P HA 0.000 nan 4.420 nan 0.000 0.271 453 P C -0.030 176.979 177.300 -0.484 0.000 1.218 453 P CA -0.078 62.846 63.100 -0.293 0.000 0.780 453 P CB 1.387 32.927 31.700 -0.265 0.000 0.901 454 S N 0.403 115.700 115.700 -0.672 0.000 2.650 454 S HA 0.078 4.548 4.470 0.000 0.000 0.219 454 S C 1.001 175.212 174.600 -0.648 0.000 0.960 454 S CA -0.026 57.799 58.200 -0.626 0.000 0.925 454 S CB -1.101 61.739 63.200 -0.601 0.000 0.775 454 S HN 0.404 nan 8.310 nan 0.000 0.525 455 F N 1.310 121.039 119.950 -0.369 0.000 2.717 455 F HA 0.318 4.845 4.527 0.000 0.000 0.295 455 F C 1.278 176.874 175.800 -0.339 0.000 1.117 455 F CA -0.654 57.114 58.000 -0.387 0.000 1.361 455 F CB -0.048 38.577 39.000 -0.626 0.000 1.112 455 F HN 0.054 nan 8.300 nan 0.000 0.594 456 S N 1.020 116.568 115.700 -0.254 0.000 2.558 456 S HA -0.039 4.431 4.470 0.000 0.000 0.291 456 S C 0.514 175.065 174.600 -0.083 0.000 1.306 456 S CA -0.384 57.741 58.200 -0.125 0.000 1.056 456 S CB 0.564 63.659 63.200 -0.175 0.000 0.836 456 S HN 0.298 nan 8.310 nan 0.000 0.504 457 S N 1.923 117.611 115.700 -0.019 0.000 2.563 457 S HA -0.049 4.421 4.470 0.000 0.000 0.294 457 S C 0.859 175.373 174.600 -0.144 0.000 1.279 457 S CA -0.434 57.753 58.200 -0.022 0.000 1.069 457 S CB 0.180 63.437 63.200 0.096 0.000 0.828 457 S HN 0.635 nan 8.310 nan 0.000 0.497 458 D N 4.019 124.365 120.400 -0.091 0.000 2.265 458 D HA -0.128 4.512 4.640 0.000 0.000 0.208 458 D C 1.458 177.672 176.300 -0.143 0.000 0.977 458 D CA 1.290 55.221 54.000 -0.115 0.000 0.871 458 D CB -0.044 40.717 40.800 -0.065 0.000 0.925 458 D HN 0.691 nan 8.370 nan 0.000 0.485 459 M N 0.308 119.838 119.600 -0.117 0.000 2.659 459 M HA -0.028 4.453 4.480 0.000 0.000 0.243 459 M C 0.979 177.085 176.300 -0.323 0.000 1.111 459 M CA 0.428 55.678 55.300 -0.083 0.000 1.070 459 M CB 0.084 32.749 32.600 0.108 0.000 1.525 459 M HN -0.195 nan 8.290 nan 0.000 0.517 460 K N 2.416 122.405 120.400 -0.684 0.000 2.143 460 K HA 0.302 4.622 4.320 0.000 0.000 0.272 460 K C -2.276 173.952 176.600 -0.620 0.000 1.001 460 K CA -1.689 53.855 56.287 -1.238 0.000 0.915 460 K CB 1.163 32.814 32.500 -1.414 0.000 1.047 460 K HN -0.124 nan 8.250 nan 0.000 0.458 461 P HA 0.050 nan 4.420 nan 0.000 0.272 461 P C -0.632 176.540 177.300 -0.214 0.000 1.240 461 P CA -0.076 62.873 63.100 -0.251 0.000 0.791 461 P CB 0.798 32.411 31.700 -0.145 0.000 0.978 462 K N -0.197 120.115 120.400 -0.145 0.000 2.262 462 K HA -0.032 4.288 4.320 0.000 0.000 0.200 462 K C 2.064 178.606 176.600 -0.098 0.000 1.049 462 K CA 1.390 57.598 56.287 -0.133 0.000 0.979 462 K CB -0.509 31.923 32.500 -0.113 0.000 0.773 462 K HN 0.615 nan 8.250 nan 0.000 0.474 463 T N -0.436 114.078 114.554 -0.066 0.000 2.746 463 T HA -0.070 4.280 4.350 0.000 0.000 0.267 463 T C 1.094 175.782 174.700 -0.020 0.000 1.039 463 T CA 0.480 62.561 62.100 -0.032 0.000 1.142 463 T CB -0.532 68.332 68.868 -0.006 0.000 0.866 463 T HN -0.148 nan 8.240 nan 0.000 0.444 464 V N 3.025 122.927 119.914 -0.020 0.000 2.441 464 V HA 0.172 4.292 4.120 0.000 0.000 0.279 464 V C 0.348 176.444 176.094 0.003 0.000 0.990 464 V CA 0.356 62.664 62.300 0.014 0.000 1.116 464 V CB -0.954 30.883 31.823 0.023 0.000 0.977 464 V HN 0.465 nan 8.190 nan 0.000 0.470 465 I N 4.268 124.858 120.570 0.032 0.000 2.378 465 I HA 0.560 4.730 4.170 0.000 0.000 0.291 465 I C 0.977 177.161 176.117 0.112 0.000 0.992 465 I CA -0.356 60.963 61.300 0.031 0.000 1.154 465 I CB 1.550 39.557 38.000 0.011 0.000 1.315 465 I HN 0.792 nan 8.210 nan 0.000 0.448 466 G N 4.196 113.100 108.800 0.173 0.000 2.385 466 G HA2 -0.231 3.729 3.960 0.000 0.000 0.294 466 G HA3 -0.231 3.729 3.960 0.000 0.000 0.294 466 G C -0.429 174.620 174.900 0.248 0.000 1.070 466 G CA -0.150 45.141 45.100 0.319 0.000 1.172 466 G HN 0.726 nan 8.290 nan 0.000 0.516 467 D N -0.861 119.672 120.400 0.221 0.000 2.411 467 D HA 0.415 5.055 4.640 0.000 0.000 0.251 467 D C 0.977 177.414 176.300 0.229 0.000 1.201 467 D CA -0.580 53.555 54.000 0.224 0.000 0.996 467 D CB 0.418 41.378 40.800 0.267 0.000 1.101 467 D HN 0.424 nan 8.370 nan 0.000 0.504 468 H N -0.539 118.597 119.070 0.109 0.000 3.125 468 H HA 0.253 4.809 4.556 0.000 0.000 0.310 468 H C 1.273 176.688 175.328 0.146 0.000 0.980 468 H CA 1.800 57.886 56.048 0.064 0.000 1.422 468 H CB -0.055 29.738 29.762 0.052 0.000 1.432 468 H HN 0.595 nan 8.280 nan 0.000 0.577 469 G N 4.329 112.908 108.800 -0.368 0.000 2.155 469 G HA2 -0.329 3.631 3.960 0.000 0.000 0.257 469 G HA3 -0.329 3.631 3.960 0.000 0.000 0.257 469 G C 1.065 175.836 174.900 -0.215 0.000 0.983 469 G CA 0.562 45.389 45.100 -0.455 0.000 0.676 469 G HN 0.681 nan 8.290 nan 0.000 0.528 470 D N 0.552 120.923 120.400 -0.048 0.000 2.224 470 D HA -0.020 4.620 4.640 0.000 0.000 0.205 470 D C 2.440 178.568 176.300 -0.287 0.000 0.965 470 D CA 1.179 55.233 54.000 0.090 0.000 0.852 470 D CB -0.024 40.902 40.800 0.210 0.000 0.947 470 D HN 0.717 nan 8.370 nan 0.000 0.494 471 E N 1.139 120.857 120.200 -0.803 0.000 2.274 471 E HA -0.136 4.214 4.350 0.000 0.000 0.194 471 E C 2.213 178.485 176.600 -0.547 0.000 0.996 471 E CA 0.254 55.879 56.400 -1.292 0.000 0.840 471 E CB -0.654 28.465 29.700 -0.968 0.000 0.772 471 E HN 0.314 nan 8.360 nan 0.000 0.491 472 L N -0.059 120.928 121.223 -0.394 0.000 2.021 472 L HA -0.209 4.131 4.340 0.000 0.000 0.215 472 L C 2.651 179.361 176.870 -0.267 0.000 1.074 472 L CA 1.858 56.485 54.840 -0.356 0.000 0.760 472 L CB -0.665 41.022 42.059 -0.621 0.000 0.889 472 L HN 0.041 nan 8.230 nan 0.000 0.433 473 F N -0.480 119.433 119.950 -0.062 0.000 2.126 473 F HA -0.236 4.291 4.527 0.000 0.000 0.299 473 F C 2.740 178.569 175.800 0.047 0.000 1.096 473 F CA 1.544 59.578 58.000 0.057 0.000 1.255 473 F CB -0.669 38.478 39.000 0.245 0.000 0.997 473 F HN -0.022 nan 8.300 nan 0.000 0.479 474 S N -0.215 115.568 115.700 0.139 0.000 2.383 474 S HA -0.108 4.362 4.470 0.000 0.000 0.227 474 S C 2.245 176.728 174.600 -0.194 0.000 1.026 474 S CA 1.050 59.268 58.200 0.030 0.000 0.981 474 S CB -0.396 62.854 63.200 0.084 0.000 0.818 474 S HN 0.124 nan 8.310 nan 0.000 0.472 475 V N 0.334 120.038 119.914 -0.351 0.000 2.427 475 V HA -0.051 4.069 4.120 0.000 0.000 0.248 475 V C 1.085 176.846 176.094 -0.555 0.000 1.051 475 V CA 1.429 63.358 62.300 -0.618 0.000 1.048 475 V CB -0.599 30.838 31.823 -0.643 0.000 0.666 475 V HN 0.451 nan 8.190 nan 0.000 0.456 476 F N 0.624 120.387 119.950 -0.312 0.000 2.730 476 F HA 0.520 5.047 4.527 0.000 0.000 0.295 476 F C 1.592 177.282 175.800 -0.184 0.000 1.143 476 F CA -0.067 57.773 58.000 -0.268 0.000 1.367 476 F CB -0.423 38.379 39.000 -0.331 0.000 0.970 476 F HN 0.186 nan 8.300 nan 0.000 0.514 477 G N 1.096 109.874 108.800 -0.036 0.000 2.396 477 G HA2 -0.247 3.713 3.960 0.000 0.000 0.288 477 G HA3 -0.247 3.713 3.960 0.000 0.000 0.288 477 G C 1.254 176.252 174.900 0.164 0.000 0.926 477 G CA 0.419 45.548 45.100 0.048 0.000 1.211 477 G HN 0.618 nan 8.290 nan 0.000 0.496 478 A N 0.992 123.901 122.820 0.149 0.000 1.902 478 A HA 0.086 4.406 4.320 0.000 0.000 0.217 478 A C 0.696 178.246 177.584 -0.057 0.000 1.181 478 A CA 1.968 53.981 52.037 -0.040 0.000 0.623 478 A CB -0.817 18.130 19.000 -0.087 0.000 0.818 478 A HN 0.487 nan 8.150 nan 0.000 0.443 479 P HA -0.142 nan 4.420 nan 0.000 0.221 479 P C 0.389 177.647 177.300 -0.071 0.000 1.141 479 P CA 1.021 64.260 63.100 0.232 0.000 0.794 479 P CB -0.150 31.614 31.700 0.107 0.000 0.764 480 F N -2.982 116.987 119.950 0.032 0.000 2.695 480 F HA 0.234 4.761 4.527 0.000 0.000 0.303 480 F C 1.734 177.550 175.800 0.025 0.000 1.091 480 F CA 0.304 58.330 58.000 0.043 0.000 1.300 480 F CB -0.216 38.806 39.000 0.036 0.000 1.071 480 F HN -0.166 nan 8.300 nan 0.000 0.578 481 L N -1.443 119.849 121.223 0.114 0.000 2.600 481 L HA 0.210 4.550 4.340 0.000 0.000 0.213 481 L C 1.004 177.871 176.870 -0.006 0.000 1.045 481 L CA 0.260 55.126 54.840 0.043 0.000 0.863 481 L CB 0.108 42.164 42.059 -0.005 0.000 1.189 481 L HN -0.230 nan 8.230 nan 0.000 0.484 482 K N 0.165 120.516 120.400 -0.083 0.000 2.209 482 K HA 0.343 4.663 4.320 0.000 0.000 0.238 482 K C -0.613 176.026 176.600 0.065 0.000 1.028 482 K CA -0.515 55.732 56.287 -0.067 0.000 0.935 482 K CB 1.017 33.351 32.500 -0.277 0.000 1.162 482 K HN -0.233 nan 8.250 nan 0.000 0.485 483 E N -1.362 118.916 120.200 0.129 0.000 2.244 483 E HA 0.432 4.782 4.350 0.000 0.000 0.266 483 E C -0.321 176.382 176.600 0.172 0.000 0.914 483 E CA 0.209 56.686 56.400 0.128 0.000 0.794 483 E CB 1.779 31.521 29.700 0.070 0.000 1.210 483 E HN 0.630 nan 8.360 nan 0.000 0.414 484 G N 1.286 110.139 108.800 0.088 0.000 2.144 484 G HA2 -0.110 3.850 3.960 0.000 0.000 0.218 484 G HA3 -0.110 3.850 3.960 0.000 0.000 0.218 484 G C 0.106 174.979 174.900 -0.046 0.000 0.988 484 G CA -0.128 44.984 45.100 0.020 0.000 0.659 484 G HN 0.728 nan 8.290 nan 0.000 0.522 485 A N 0.697 123.518 122.820 0.003 0.000 2.409 485 A HA 0.704 5.024 4.320 0.000 0.000 0.267 485 A C 1.029 178.564 177.584 -0.081 0.000 1.127 485 A CA 0.870 52.870 52.037 -0.061 0.000 0.795 485 A CB 0.303 19.323 19.000 0.035 0.000 1.061 485 A HN 1.953 nan 8.150 nan 0.000 0.502 486 S N 1.754 117.397 115.700 -0.095 0.000 2.592 486 S HA 0.218 4.688 4.470 0.000 0.000 0.271 486 S C 0.805 175.372 174.600 -0.056 0.000 1.326 486 S CA 0.025 58.187 58.200 -0.064 0.000 1.024 486 S CB 1.143 64.313 63.200 -0.049 0.000 0.921 486 S HN 0.711 nan 8.310 nan 0.000 0.527 487 E N 0.890 121.062 120.200 -0.046 0.000 2.118 487 E HA -0.194 4.156 4.350 0.000 0.000 0.195 487 E C 1.848 178.423 176.600 -0.041 0.000 0.992 487 E CA 1.733 58.106 56.400 -0.044 0.000 0.804 487 E CB -0.237 29.445 29.700 -0.030 0.000 0.741 487 E HN 0.852 nan 8.360 nan 0.000 0.458 488 E N 0.120 120.302 120.200 -0.031 0.000 2.085 488 E HA -0.266 4.084 4.350 0.000 0.000 0.194 488 E C 1.972 178.527 176.600 -0.075 0.000 0.994 488 E CA 1.387 57.765 56.400 -0.036 0.000 0.801 488 E CB -0.049 29.652 29.700 0.002 0.000 0.743 488 E HN 0.398 nan 8.360 nan 0.000 0.453 489 E N 0.226 120.399 120.200 -0.045 0.000 2.046 489 E HA -0.122 4.228 4.350 0.000 0.000 0.190 489 E C 2.301 178.870 176.600 -0.052 0.000 0.982 489 E CA 0.682 57.040 56.400 -0.070 0.000 0.800 489 E CB -0.062 29.661 29.700 0.038 0.000 0.756 489 E HN 0.297 nan 8.360 nan 0.000 0.449 490 I N 1.091 121.625 120.570 -0.059 0.000 2.399 490 I HA -0.299 3.871 4.170 0.000 0.000 0.254 490 I C 2.793 178.921 176.117 0.017 0.000 1.146 490 I CA 1.025 62.269 61.300 -0.093 0.000 1.412 490 I CB -0.359 37.501 38.000 -0.234 0.000 1.076 490 I HN 0.154 nan 8.210 nan 0.000 0.432 491 R N 1.285 121.774 120.500 -0.018 0.000 2.061 491 R HA -0.206 4.134 4.340 0.000 0.000 0.230 491 R C 2.454 178.730 176.300 -0.040 0.000 1.140 491 R CA 1.607 57.700 56.100 -0.012 0.000 0.940 491 R CB -0.372 29.903 30.300 -0.042 0.000 0.839 491 R HN 0.241 nan 8.270 nan 0.000 0.429 492 L N 0.760 121.915 121.223 -0.114 0.000 2.012 492 L HA -0.161 4.179 4.340 0.000 0.000 0.210 492 L C 2.376 179.200 176.870 -0.078 0.000 1.073 492 L CA 2.445 57.184 54.840 -0.167 0.000 0.748 492 L CB -0.873 40.956 42.059 -0.383 0.000 0.891 492 L HN 0.238 nan 8.230 nan 0.000 0.431 493 S N -0.973 114.724 115.700 -0.005 0.000 2.383 493 S HA -0.268 4.202 4.470 0.000 0.000 0.229 493 S C 2.191 176.802 174.600 0.018 0.000 1.030 493 S CA 1.753 59.991 58.200 0.063 0.000 1.002 493 S CB -0.329 62.994 63.200 0.206 0.000 0.829 493 S HN 0.564 nan 8.310 nan 0.000 0.467 494 K N 0.046 120.483 120.400 0.062 0.000 2.097 494 K HA 0.002 4.322 4.320 0.000 0.000 0.205 494 K C 2.277 178.842 176.600 -0.058 0.000 1.050 494 K CA 1.352 57.640 56.287 0.002 0.000 0.938 494 K CB -0.208 32.361 32.500 0.115 0.000 0.718 494 K HN 0.486 nan 8.250 nan 0.000 0.442 495 M N 0.412 119.965 119.600 -0.078 0.000 2.064 495 M HA -0.176 4.304 4.480 0.000 0.000 0.260 495 M C 1.824 178.040 176.300 -0.139 0.000 1.073 495 M CA 1.552 56.753 55.300 -0.164 0.000 1.124 495 M CB 0.018 32.513 32.600 -0.176 0.000 1.326 495 M HN -0.069 nan 8.290 nan 0.000 0.410 496 V N 1.232 121.120 119.914 -0.045 0.000 2.282 496 V HA -0.362 3.758 4.120 0.000 0.000 0.249 496 V C 2.516 178.639 176.094 0.047 0.000 1.057 496 V CA 2.319 64.644 62.300 0.042 0.000 1.032 496 V CB -0.974 30.702 31.823 -0.246 0.000 0.645 496 V HN 0.589 nan 8.190 nan 0.000 0.447 497 M N -0.488 119.050 119.600 -0.103 0.000 2.082 497 M HA -0.264 4.216 4.480 0.000 0.000 0.258 497 M C 2.393 178.732 176.300 0.066 0.000 1.071 497 M CA 2.074 57.321 55.300 -0.088 0.000 1.103 497 M CB -0.691 31.806 32.600 -0.171 0.000 1.307 497 M HN 0.273 nan 8.290 nan 0.000 0.409 498 K N -0.324 120.096 120.400 0.034 0.000 2.063 498 K HA -0.135 4.186 4.320 0.000 0.000 0.208 498 K C 1.884 178.602 176.600 0.196 0.000 1.048 498 K CA 1.486 57.809 56.287 0.060 0.000 0.928 498 K CB -0.349 32.135 32.500 -0.027 0.000 0.713 498 K HN 0.310 nan 8.250 nan 0.000 0.442 499 F N 0.092 120.168 119.950 0.210 0.000 2.046 499 F HA -0.285 4.242 4.527 0.000 0.000 0.297 499 F C 2.529 178.455 175.800 0.211 0.000 1.123 499 F CA 0.759 58.917 58.000 0.264 0.000 1.199 499 F CB -0.188 39.131 39.000 0.531 0.000 0.972 499 F HN 0.246 nan 8.300 nan 0.000 0.474 500 W N 0.201 121.595 121.300 0.156 0.000 2.315 500 W HA -0.311 4.349 4.660 0.000 0.000 0.323 500 W C 2.630 179.127 176.519 -0.038 0.000 1.233 500 W CA 1.280 58.610 57.345 -0.025 0.000 1.267 500 W CB -0.780 28.588 29.460 -0.153 0.000 1.160 500 W HN 0.025 nan 8.180 nan 0.000 0.474 501 A N 0.076 122.996 122.820 0.167 0.000 1.972 501 A HA -0.218 4.102 4.320 0.000 0.000 0.219 501 A C 1.636 179.251 177.584 0.051 0.000 1.169 501 A CA 1.934 54.004 52.037 0.055 0.000 0.635 501 A CB -0.948 18.076 19.000 0.040 0.000 0.810 501 A HN 0.297 nan 8.150 nan 0.000 0.446 502 N N -1.191 117.573 118.700 0.105 0.000 2.188 502 N HA -0.095 4.645 4.740 0.000 0.000 0.184 502 N C 1.234 176.746 175.510 0.003 0.000 1.018 502 N CA 1.231 54.327 53.050 0.077 0.000 0.858 502 N CB -0.445 38.141 38.487 0.165 0.000 0.989 502 N HN 0.515 nan 8.380 nan 0.000 0.426 503 F N 0.831 120.664 119.950 -0.194 0.000 2.325 503 F HA 0.133 4.660 4.527 0.000 0.000 0.299 503 F C 1.981 177.649 175.800 -0.219 0.000 1.090 503 F CA 0.771 58.571 58.000 -0.333 0.000 1.392 503 F CB -0.202 38.469 39.000 -0.549 0.000 1.053 503 F HN 0.017 nan 8.300 nan 0.000 0.521 504 A N 0.483 123.230 122.820 -0.121 0.000 1.929 504 A HA -0.090 4.230 4.320 0.000 0.000 0.216 504 A C 2.335 179.831 177.584 -0.147 0.000 1.176 504 A CA 1.270 53.224 52.037 -0.139 0.000 0.628 504 A CB -0.488 18.472 19.000 -0.066 0.000 0.816 504 A HN 0.405 nan 8.150 nan 0.000 0.444 505 R N -0.469 119.962 120.500 -0.115 0.000 2.093 505 R HA 0.039 4.379 4.340 0.000 0.000 0.224 505 R C 0.502 176.728 176.300 -0.123 0.000 1.101 505 R CA 1.317 57.363 56.100 -0.090 0.000 0.979 505 R CB -0.047 30.226 30.300 -0.045 0.000 0.877 505 R HN 0.547 nan 8.270 nan 0.000 0.441 506 N N -0.930 117.668 118.700 -0.169 0.000 2.160 506 N HA 0.069 4.809 4.740 0.000 0.000 0.226 506 N C 0.266 175.622 175.510 -0.257 0.000 1.256 506 N CA 0.611 53.563 53.050 -0.163 0.000 0.890 506 N CB 1.902 40.332 38.487 -0.095 0.000 1.116 506 N HN 0.235 nan 8.380 nan 0.000 0.517 507 G N 2.224 110.725 108.800 -0.498 0.000 2.305 507 G HA2 -0.278 3.682 3.960 0.000 0.000 0.287 507 G HA3 -0.278 3.682 3.960 0.000 0.000 0.287 507 G C -0.245 174.369 174.900 -0.476 0.000 1.036 507 G CA 0.399 45.035 45.100 -0.774 0.000 0.887 507 G HN 0.476 nan 8.290 nan 0.000 0.505 508 N N -0.751 117.699 118.700 -0.417 0.000 2.648 508 N HA 0.261 5.001 4.740 0.000 0.000 0.272 508 N C -1.438 173.898 175.510 -0.290 0.000 1.118 508 N CA -0.976 51.898 53.050 -0.293 0.000 0.973 508 N CB 1.894 40.340 38.487 -0.067 0.000 1.565 508 N HN -0.048 nan 8.380 nan 0.000 0.542 509 P HA -0.111 nan 4.420 nan 0.000 0.216 509 P C 0.066 177.409 177.300 0.073 0.000 1.153 509 P CA 0.716 63.573 63.100 -0.406 0.000 0.848 509 P CB 0.241 31.127 31.700 -1.357 0.000 0.787 510 N N 0.791 119.508 118.700 0.029 0.000 2.292 510 N HA 0.152 4.892 4.740 0.000 0.000 0.242 510 N C 0.878 176.544 175.510 0.259 0.000 1.243 510 N CA 1.516 54.746 53.050 0.300 0.000 0.851 510 N CB 0.151 38.786 38.487 0.246 0.000 1.093 510 N HN 0.228 nan 8.380 nan 0.000 0.450 511 G N 0.333 109.298 108.800 0.275 0.000 2.506 511 G HA2 0.145 4.105 3.960 0.000 0.000 0.292 511 G HA3 0.145 4.105 3.960 0.000 0.000 0.292 511 G C -1.464 173.513 174.900 0.128 0.000 1.425 511 G CA -0.693 44.505 45.100 0.163 0.000 0.788 511 G HN 0.420 nan 8.290 nan 0.000 0.490 512 E N -0.217 120.033 120.200 0.084 0.000 2.366 512 E HA 0.406 4.756 4.350 0.000 0.000 0.266 512 E C 1.074 177.697 176.600 0.039 0.000 1.015 512 E CA 1.177 57.614 56.400 0.062 0.000 0.906 512 E CB 0.911 30.639 29.700 0.047 0.000 0.979 512 E HN 1.606 nan 8.360 nan 0.000 0.443 513 G N 3.203 112.025 108.800 0.036 0.000 2.141 513 G HA2 -0.240 3.720 3.960 0.000 0.000 0.231 513 G HA3 -0.240 3.720 3.960 0.000 0.000 0.231 513 G C -0.089 174.799 174.900 -0.020 0.000 0.984 513 G CA -0.324 44.782 45.100 0.010 0.000 0.660 513 G HN 0.399 nan 8.290 nan 0.000 0.525 514 L N -0.060 121.164 121.223 0.002 0.000 2.401 514 L HA 0.542 4.882 4.340 0.000 0.000 0.266 514 L C -1.961 174.986 176.870 0.129 0.000 0.991 514 L CA -2.409 52.396 54.840 -0.058 0.000 0.818 514 L CB 1.907 43.808 42.059 -0.263 0.000 1.321 514 L HN -0.146 nan 8.230 nan 0.000 0.413 515 P HA -0.079 nan 4.420 nan 0.000 0.271 515 P C -1.002 176.546 177.300 0.413 0.000 1.228 515 P CA 0.030 63.278 63.100 0.246 0.000 0.797 515 P CB 0.244 32.067 31.700 0.205 0.000 0.914 516 H N 0.624 119.836 119.070 0.236 0.000 2.580 516 H HA 0.264 4.820 4.556 0.000 0.000 0.322 516 H C -1.202 174.312 175.328 0.309 0.000 1.082 516 H CA -0.299 55.908 56.048 0.266 0.000 1.383 516 H CB 0.282 30.150 29.762 0.176 0.000 1.450 516 H HN 0.330 nan 8.280 nan 0.000 0.505 517 W N 9.652 130.729 121.300 -0.371 0.000 2.299 517 W HA 0.302 4.962 4.660 0.000 0.000 0.319 517 W C -2.789 173.486 176.519 -0.406 0.000 1.008 517 W CA -3.134 54.018 57.345 -0.321 0.000 1.384 517 W CB 1.073 30.323 29.460 -0.350 0.000 1.220 517 W HN 0.580 nan 8.180 nan 0.000 0.402 518 P HA -0.016 nan 4.420 nan 0.000 0.271 518 P C -0.069 177.349 177.300 0.198 0.000 1.226 518 P CA 0.411 63.551 63.100 0.067 0.000 0.765 518 P CB 1.021 32.788 31.700 0.112 0.000 0.835 519 E N 2.872 123.077 120.200 0.009 0.000 2.414 519 E HA -0.091 4.259 4.350 0.000 0.000 0.263 519 E C -0.718 175.792 176.600 -0.151 0.000 1.000 519 E CA -0.334 55.814 56.400 -0.420 0.000 0.914 519 E CB 0.162 29.642 29.700 -0.366 0.000 0.948 519 E HN 0.383 nan 8.360 nan 0.000 0.444 520 Y N 6.235 126.359 120.300 -0.294 0.000 2.576 520 Y HA -0.019 4.531 4.550 0.000 0.000 0.348 520 Y C -0.174 175.681 175.900 -0.076 0.000 1.212 520 Y CA -0.024 58.027 58.100 -0.082 0.000 1.683 520 Y CB -0.610 37.828 38.460 -0.036 0.000 1.484 520 Y HN 0.467 nan 8.280 nan 0.000 0.477 521 N N 0.782 119.340 118.700 -0.236 0.000 2.992 521 N HA 0.151 4.891 4.740 0.000 0.000 0.338 521 N C 0.645 175.980 175.510 -0.292 0.000 1.376 521 N CA -0.521 52.408 53.050 -0.203 0.000 0.778 521 N CB 0.206 38.630 38.487 -0.106 0.000 1.232 521 N HN 0.218 nan 8.380 nan 0.000 0.581 522 Q N -0.490 119.209 119.800 -0.169 0.000 2.297 522 Q HA -0.059 4.281 4.340 0.000 0.000 0.208 522 Q C 0.928 176.841 176.000 -0.145 0.000 0.981 522 Q CA 1.385 57.100 55.803 -0.146 0.000 0.876 522 Q CB -0.372 28.320 28.738 -0.077 0.000 0.921 522 Q HN 0.535 nan 8.270 nan 0.000 0.446 523 K N 0.587 120.910 120.400 -0.129 0.000 2.366 523 K HA -0.022 4.298 4.320 0.000 0.000 0.198 523 K C -0.050 176.488 176.600 -0.103 0.000 1.044 523 K CA 0.119 56.358 56.287 -0.079 0.000 0.973 523 K CB 0.350 32.831 32.500 -0.032 0.000 0.767 523 K HN 0.178 nan 8.250 nan 0.000 0.475 524 E N -0.499 119.536 120.200 -0.275 0.000 2.298 524 E HA -0.140 4.210 4.350 0.000 0.000 0.235 524 E C -0.297 176.358 176.600 0.092 0.000 1.167 524 E CA 0.310 56.480 56.400 -0.383 0.000 0.708 524 E CB -2.095 27.520 29.700 -0.141 0.000 1.236 524 E HN 0.440 nan 8.360 nan 0.000 0.386 525 G N 1.622 110.484 108.800 0.103 0.000 2.351 525 G HA2 0.383 4.343 3.960 0.000 0.000 0.287 525 G HA3 0.383 4.343 3.960 0.000 0.000 0.287 525 G C -0.261 174.877 174.900 0.397 0.000 1.159 525 G CA -0.200 45.018 45.100 0.197 0.000 0.929 525 G HN 0.317 nan 8.290 nan 0.000 0.435 526 Y N 1.781 122.213 120.300 0.220 0.000 2.562 526 Y HA 0.762 5.312 4.550 0.000 0.000 0.343 526 Y C -1.132 174.761 175.900 -0.011 0.000 1.025 526 Y CA -2.193 56.027 58.100 0.200 0.000 1.082 526 Y CB 1.808 40.376 38.460 0.179 0.000 1.264 526 Y HN 0.428 nan 8.280 nan 0.000 0.478 527 L N 3.095 124.236 121.223 -0.136 0.000 2.309 527 L HA 0.448 4.788 4.340 0.000 0.000 0.282 527 L C -0.790 175.986 176.870 -0.157 0.000 1.036 527 L CA -0.566 53.949 54.840 -0.542 0.000 0.806 527 L CB 1.657 42.758 42.059 -1.596 0.000 1.220 527 L HN 0.815 nan 8.230 nan 0.000 0.429 528 Q N 6.005 125.702 119.800 -0.171 0.000 2.430 528 Q HA 0.425 4.765 4.340 0.000 0.000 0.245 528 Q C -0.857 175.091 176.000 -0.086 0.000 1.021 528 Q CA -0.255 55.548 55.803 0.001 0.000 0.867 528 Q CB 1.164 29.897 28.738 -0.009 0.000 1.210 528 Q HN 0.599 nan 8.270 nan 0.000 0.487 529 I N 1.396 121.921 120.570 -0.075 0.000 2.519 529 I HA 0.565 4.735 4.170 0.000 0.000 0.287 529 I C 0.896 176.811 176.117 -0.336 0.000 1.047 529 I CA 0.057 61.246 61.300 -0.185 0.000 1.381 529 I CB 1.161 39.080 38.000 -0.134 0.000 1.417 529 I HN 0.741 nan 8.210 nan 0.000 0.540 530 G N 2.936 111.533 108.800 -0.338 0.000 2.399 530 G HA2 0.319 4.279 3.960 0.000 0.000 0.256 530 G HA3 0.319 4.279 3.960 0.000 0.000 0.256 530 G C 0.213 174.970 174.900 -0.238 0.000 1.236 530 G CA 0.034 44.940 45.100 -0.324 0.000 0.914 530 G HN 0.598 nan 8.290 nan 0.000 0.482 531 A N -0.477 122.294 122.820 -0.082 0.000 1.858 531 A HA 0.148 4.468 4.320 0.000 0.000 0.216 531 A C 1.002 178.543 177.584 -0.073 0.000 1.190 531 A CA 1.532 53.538 52.037 -0.052 0.000 0.617 531 A CB -0.447 18.585 19.000 0.054 0.000 0.827 531 A HN 0.479 nan 8.150 nan 0.000 0.443 532 N N 0.511 119.178 118.700 -0.055 0.000 2.446 532 N HA 0.292 5.032 4.740 0.000 0.000 0.265 532 N C -1.453 174.020 175.510 -0.062 0.000 0.975 532 N CA 0.017 53.038 53.050 -0.048 0.000 0.928 532 N CB 1.484 39.954 38.487 -0.028 0.000 1.160 532 N HN 0.107 nan 8.380 nan 0.000 0.495 533 T N 3.050 117.567 114.554 -0.063 0.000 2.743 533 T HA 0.257 4.607 4.350 0.000 0.000 0.292 533 T C 0.239 174.910 174.700 -0.049 0.000 0.972 533 T CA -0.576 61.484 62.100 -0.067 0.000 0.967 533 T CB 0.946 69.786 68.868 -0.046 0.000 0.926 533 T HN 0.462 nan 8.240 nan 0.000 0.459 534 Q N 2.122 121.874 119.800 -0.080 0.000 2.626 534 Q HA 0.788 5.128 4.340 0.000 0.000 0.300 534 Q C -1.612 174.296 176.000 -0.154 0.000 0.988 534 Q CA -1.137 54.621 55.803 -0.075 0.000 0.761 534 Q CB 1.698 30.404 28.738 -0.052 0.000 1.494 534 Q HN 0.540 nan 8.270 nan 0.000 0.439 535 A N 0.107 122.839 122.820 -0.146 0.000 2.248 535 A HA 1.000 5.320 4.320 0.000 0.000 0.316 535 A C -0.573 176.826 177.584 -0.307 0.000 1.101 535 A CA 0.246 52.132 52.037 -0.251 0.000 0.875 535 A CB 1.018 19.940 19.000 -0.130 0.000 1.207 535 A HN 1.261 nan 8.150 nan 0.000 0.504 536 A N -0.931 121.593 122.820 -0.492 0.000 2.791 536 A HA 0.757 5.077 4.320 0.000 0.000 0.309 536 A C -1.157 176.265 177.584 -0.270 0.000 1.200 536 A CA -0.470 51.319 52.037 -0.414 0.000 0.635 536 A CB 0.708 19.380 19.000 -0.546 0.000 1.393 536 A HN 0.823 nan 8.150 nan 0.000 0.557 537 Q N -0.707 119.085 119.800 -0.014 0.000 2.534 537 Q HA 0.531 4.871 4.340 0.000 0.000 0.290 537 Q C -1.530 174.653 176.000 0.305 0.000 0.991 537 Q CA -0.999 54.908 55.803 0.174 0.000 0.783 537 Q CB 2.057 30.842 28.738 0.079 0.000 1.470 537 Q HN 0.628 nan 8.270 nan 0.000 0.406 538 K N 0.892 121.447 120.400 0.258 0.000 3.419 538 K HA -0.215 4.105 4.320 0.000 0.000 0.272 538 K C -0.598 176.130 176.600 0.214 0.000 0.973 538 K CA 0.022 56.429 56.287 0.199 0.000 0.749 538 K CB -1.363 31.213 32.500 0.127 0.000 1.403 538 K HN 0.418 nan 8.250 nan 0.000 0.456 539 L N 1.746 123.091 121.223 0.204 0.000 2.499 539 L HA 0.010 4.351 4.340 0.000 0.000 0.273 539 L C 0.532 177.388 176.870 -0.025 0.000 1.195 539 L CA 0.582 55.343 54.840 -0.131 0.000 0.882 539 L CB 0.311 41.988 42.059 -0.637 0.000 1.133 539 L HN 0.295 nan 8.230 nan 0.000 0.483 540 K N 3.084 123.474 120.400 -0.017 0.000 3.078 540 K HA -0.283 4.037 4.320 0.000 0.000 0.261 540 K C 0.683 177.343 176.600 0.100 0.000 0.947 540 K CA 1.098 57.417 56.287 0.054 0.000 0.702 540 K CB -1.146 31.384 32.500 0.050 0.000 1.318 540 K HN 0.906 nan 8.250 nan 0.000 0.473 541 D N 1.012 121.471 120.400 0.099 0.000 2.075 541 D HA -0.066 4.574 4.640 0.000 0.000 0.196 541 D C 1.648 178.016 176.300 0.113 0.000 0.985 541 D CA 1.205 55.269 54.000 0.107 0.000 0.834 541 D CB 0.217 41.074 40.800 0.095 0.000 0.987 541 D HN 0.342 nan 8.370 nan 0.000 0.452 542 K N -0.040 120.414 120.400 0.090 0.000 2.044 542 K HA -0.215 4.105 4.320 0.000 0.000 0.210 542 K C 2.161 178.844 176.600 0.139 0.000 1.049 542 K CA 1.592 57.928 56.287 0.081 0.000 0.927 542 K CB -0.068 32.447 32.500 0.025 0.000 0.713 542 K HN 0.121 nan 8.250 nan 0.000 0.443 543 E N 0.207 120.510 120.200 0.171 0.000 2.033 543 E HA -0.190 4.160 4.350 0.000 0.000 0.199 543 E C 1.992 178.861 176.600 0.449 0.000 1.011 543 E CA 1.452 58.052 56.400 0.334 0.000 0.815 543 E CB -0.401 29.519 29.700 0.367 0.000 0.755 543 E HN 0.014 nan 8.360 nan 0.000 0.451 544 V N 1.282 121.394 119.914 0.330 0.000 2.324 544 V HA -0.355 3.765 4.120 0.000 0.000 0.250 544 V C 2.179 178.438 176.094 0.275 0.000 1.060 544 V CA 1.936 64.418 62.300 0.303 0.000 1.042 544 V CB -1.092 30.846 31.823 0.191 0.000 0.650 544 V HN 0.392 nan 8.190 nan 0.000 0.450 545 A N 0.180 123.128 122.820 0.213 0.000 1.837 545 A HA -0.307 4.013 4.320 0.000 0.000 0.216 545 A C 2.106 179.792 177.584 0.170 0.000 1.210 545 A CA 2.354 54.490 52.037 0.165 0.000 0.632 545 A CB -1.037 18.043 19.000 0.134 0.000 0.843 545 A HN 0.535 nan 8.150 nan 0.000 0.448 546 F N -0.747 119.207 119.950 0.008 0.000 2.085 546 F HA -0.296 4.231 4.527 0.000 0.000 0.299 546 F C 2.006 177.720 175.800 -0.143 0.000 1.096 546 F CA 2.185 60.112 58.000 -0.121 0.000 1.227 546 F CB -0.672 38.173 39.000 -0.258 0.000 0.983 546 F HN 0.428 nan 8.300 nan 0.000 0.482 547 W N 0.233 121.499 121.300 -0.057 0.000 2.388 547 W HA -0.118 4.542 4.660 0.000 0.000 0.294 547 W C 2.635 179.180 176.519 0.043 0.000 1.212 547 W CA 1.683 58.956 57.345 -0.120 0.000 1.271 547 W CB -0.932 28.637 29.460 0.183 0.000 1.126 547 W HN -0.151 nan 8.180 nan 0.000 0.535 548 T N 0.481 115.204 114.554 0.281 0.000 2.867 548 T HA -0.177 4.173 4.350 0.000 0.000 0.268 548 T C 1.395 176.164 174.700 0.115 0.000 1.057 548 T CA 1.509 63.739 62.100 0.216 0.000 1.136 548 T CB -0.375 68.582 68.868 0.148 0.000 0.874 548 T HN 0.137 nan 8.240 nan 0.000 0.466 549 N N 1.214 119.916 118.700 0.003 0.000 2.270 549 N HA 0.027 4.767 4.740 0.000 0.000 0.181 549 N C 1.745 177.171 175.510 -0.140 0.000 1.016 549 N CA 0.460 53.477 53.050 -0.055 0.000 0.870 549 N CB -0.514 37.936 38.487 -0.062 0.000 0.979 549 N HN 0.226 nan 8.380 nan 0.000 0.431 550 L N 0.431 121.456 121.223 -0.330 0.000 2.027 550 L HA 0.068 4.408 4.340 0.000 0.000 0.206 550 L C 1.506 178.231 176.870 -0.241 0.000 1.074 550 L CA 1.369 55.946 54.840 -0.438 0.000 0.745 550 L CB -0.781 40.768 42.059 -0.851 0.000 0.898 550 L HN -0.035 nan 8.230 nan 0.000 0.433 551 F N -0.404 119.520 119.950 -0.043 0.000 2.773 551 F HA -0.050 4.477 4.527 0.000 0.000 0.299 551 F C 2.186 177.983 175.800 -0.005 0.000 1.204 551 F CA 0.385 58.388 58.000 0.006 0.000 1.454 551 F CB -0.629 38.389 39.000 0.029 0.000 1.117 551 F HN 0.211 nan 8.300 nan 0.000 0.590 552 A N -0.420 122.464 122.820 0.106 0.000 1.902 552 A HA -0.097 4.223 4.320 0.000 0.000 0.217 552 A C 1.437 179.057 177.584 0.059 0.000 1.181 552 A CA 0.984 53.062 52.037 0.068 0.000 0.623 552 A CB -0.148 18.867 19.000 0.025 0.000 0.818 552 A HN 0.268 nan 8.150 nan 0.000 0.443 553 K N 0.000 120.424 120.400 0.040 0.000 2.780 553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 553 K CA 0.000 56.308 56.287 0.036 0.000 0.838 553 K CB 0.000 32.539 32.500 0.065 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543