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 1n9w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVLVRDLKA HVGQEVELLG FLHWRRDLGR IQFLLLRDRS GVVQVVTGGL DATA SEQUENCE KLPLPESALR VRGLVVENAK APGGLEVQAK EVEVLSPALE PTPXXXXXXX DATA SEQUENCE XXXXXXXXXX YRYVTLRGEK ARAPLKVQAA LVRGFRRYLD RQDFTEIFTP DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXPQ LYKQIMVGVF ERVYEVAPVX DATA SEQUENCE XXXXXXXXXX XXEYLSLDVE MGFIADEEDL MRLEEALLAE MLEEALNTAG DATA SEQUENCE DEIRLLGATW PSFPQDIPRL THAEAKRILK EELGYPVGQD LSEEAERLLG DATA SEQUENCE EYAKERWGSD WLFVTRYPRS VRPFYTYPEE DGTTRSFDLL FRGLEITSGG DATA SEQUENCE QRIHRYEELL ESLKAKGMDP EAFHGYLEVF KYGMPPHGGF AIGAERLTQK DATA SEQUENCE LLGLPNVRYA RAFP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.034 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 2 R N 1.478 121.946 120.500 -0.053 0.000 2.570 2 R HA 0.571 4.911 4.340 0.001 0.000 0.277 2 R C -1.553 174.692 176.300 -0.092 0.000 1.039 2 R CA 0.153 56.215 56.100 -0.064 0.000 1.065 2 R CB 0.225 30.499 30.300 -0.043 0.000 0.964 2 R HN 0.563 nan 8.270 nan 0.000 0.428 3 V N 6.566 126.409 119.914 -0.118 0.000 2.623 3 V HA 0.280 4.401 4.120 0.001 0.000 0.304 3 V C 0.039 176.081 176.094 -0.086 0.000 1.054 3 V CA -0.803 61.402 62.300 -0.158 0.000 0.882 3 V CB 1.902 33.512 31.823 -0.353 0.000 1.002 3 V HN 0.683 nan 8.190 nan 0.000 0.424 4 L N 3.650 124.847 121.223 -0.044 0.000 2.417 4 L HA 0.255 4.595 4.340 0.001 0.000 0.268 4 L C 1.631 178.498 176.870 -0.004 0.000 1.158 4 L CA -0.119 54.714 54.840 -0.013 0.000 0.819 4 L CB 1.070 43.133 42.059 0.006 0.000 1.112 4 L HN 0.482 nan 8.230 nan 0.000 0.458 5 V N 2.112 122.030 119.914 0.006 0.000 2.278 5 V HA -0.337 3.783 4.120 0.001 0.000 0.251 5 V C 2.528 178.634 176.094 0.021 0.000 1.062 5 V CA 2.623 64.930 62.300 0.013 0.000 1.038 5 V CB -0.956 30.875 31.823 0.014 0.000 0.646 5 V HN 0.978 nan 8.190 nan 0.000 0.447 6 R N 0.476 120.988 120.500 0.020 0.000 2.193 6 R HA -0.148 4.193 4.340 0.001 0.000 0.229 6 R C 1.251 177.574 176.300 0.038 0.000 1.110 6 R CA 2.000 58.114 56.100 0.024 0.000 0.988 6 R CB -0.468 29.843 30.300 0.019 0.000 0.871 6 R HN 0.473 nan 8.270 nan 0.000 0.458 7 D N 0.544 120.975 120.400 0.052 0.000 2.369 7 D HA 0.088 4.729 4.640 0.001 0.000 0.211 7 D C 1.719 178.122 176.300 0.172 0.000 1.077 7 D CA 0.092 54.152 54.000 0.101 0.000 0.842 7 D CB 0.284 41.150 40.800 0.110 0.000 0.947 7 D HN 0.243 nan 8.370 nan 0.000 0.509 8 L N 1.389 122.675 121.223 0.105 0.000 2.127 8 L HA -0.196 4.144 4.340 0.001 0.000 0.211 8 L C 2.503 179.450 176.870 0.128 0.000 1.089 8 L CA 1.216 56.127 54.840 0.119 0.000 0.757 8 L CB -0.463 41.630 42.059 0.057 0.000 0.899 8 L HN 0.084 nan 8.230 nan 0.000 0.434 9 K N 0.696 121.144 120.400 0.080 0.000 2.286 9 K HA -0.145 4.176 4.320 0.001 0.000 0.203 9 K C 1.489 178.105 176.600 0.027 0.000 1.045 9 K CA 1.510 57.825 56.287 0.046 0.000 0.935 9 K CB -0.280 32.236 32.500 0.027 0.000 0.737 9 K HN 0.245 nan 8.250 nan 0.000 0.460 10 A N 0.925 123.765 122.820 0.033 0.000 2.460 10 A HA 0.109 4.430 4.320 0.001 0.000 0.258 10 A C 0.243 177.634 177.584 -0.322 0.000 1.300 10 A CA -0.437 51.537 52.037 -0.106 0.000 0.913 10 A CB -0.185 18.741 19.000 -0.123 0.000 1.031 10 A HN 0.405 nan 8.150 nan 0.000 0.512 11 H N -1.042 118.030 119.070 0.003 0.000 3.052 11 H HA 0.166 4.722 4.556 0.001 0.000 0.257 11 H C -0.286 175.044 175.328 0.004 0.000 1.193 11 H CA -0.171 55.879 56.048 0.003 0.000 1.072 11 H CB 0.599 30.363 29.762 0.003 0.000 1.685 11 H HN 0.142 nan 8.280 nan 0.000 0.630 12 V N 1.190 121.144 119.914 0.066 0.000 2.644 12 V HA 0.036 4.157 4.120 0.001 0.000 0.305 12 V C 1.498 177.613 176.094 0.035 0.000 1.053 12 V CA 1.854 64.182 62.300 0.046 0.000 1.186 12 V CB 0.552 32.389 31.823 0.024 0.000 0.895 12 V HN 0.858 nan 8.190 nan 0.000 0.490 13 G N 3.491 112.313 108.800 0.037 0.000 2.159 13 G HA2 -0.221 3.740 3.960 0.001 0.000 0.256 13 G HA3 -0.221 3.740 3.960 0.001 0.000 0.256 13 G C 0.058 174.979 174.900 0.035 0.000 0.977 13 G CA 0.381 45.498 45.100 0.028 0.000 0.652 13 G HN 0.671 nan 8.290 nan 0.000 0.531 14 Q N -0.425 119.409 119.800 0.057 0.000 2.359 14 Q HA 0.541 4.882 4.340 0.001 0.000 0.275 14 Q C -0.654 175.378 176.000 0.053 0.000 1.082 14 Q CA -0.939 54.904 55.803 0.067 0.000 0.849 14 Q CB 1.300 30.113 28.738 0.124 0.000 1.377 14 Q HN 0.230 nan 8.270 nan 0.000 0.452 15 E N 1.608 121.831 120.200 0.039 0.000 2.200 15 E HA 0.304 4.655 4.350 0.001 0.000 0.283 15 E C -0.593 176.007 176.600 -0.000 0.000 1.015 15 E CA -0.150 56.259 56.400 0.015 0.000 0.819 15 E CB 1.324 31.029 29.700 0.009 0.000 1.081 15 E HN 0.426 nan 8.360 nan 0.000 0.397 16 V N -0.233 119.665 119.914 -0.026 0.000 3.156 16 V HA 0.627 4.747 4.120 0.001 0.000 0.311 16 V C -0.413 175.645 176.094 -0.061 0.000 1.208 16 V CA -1.068 61.188 62.300 -0.073 0.000 1.063 16 V CB 2.239 33.981 31.823 -0.135 0.000 1.098 16 V HN 0.600 nan 8.190 nan 0.000 0.452 17 E N 0.472 120.626 120.200 -0.076 0.000 2.224 17 E HA 0.687 5.037 4.350 0.001 0.000 0.265 17 E C -1.664 174.899 176.600 -0.062 0.000 0.878 17 E CA -0.732 55.633 56.400 -0.058 0.000 0.759 17 E CB 1.911 31.582 29.700 -0.049 0.000 1.164 17 E HN 0.772 nan 8.360 nan 0.000 0.414 18 L N 4.247 125.440 121.223 -0.049 0.000 2.330 18 L HA 0.634 4.974 4.340 0.001 0.000 0.271 18 L C -0.551 176.289 176.870 -0.050 0.000 1.013 18 L CA -1.082 53.731 54.840 -0.044 0.000 0.816 18 L CB 1.349 43.392 42.059 -0.028 0.000 1.287 18 L HN 0.465 nan 8.230 nan 0.000 0.435 19 L N 1.040 122.230 121.223 -0.055 0.000 2.436 19 L HA 0.877 5.218 4.340 0.001 0.000 0.268 19 L C -0.029 176.780 176.870 -0.101 0.000 0.974 19 L CA -0.231 54.556 54.840 -0.088 0.000 0.826 19 L CB 2.046 44.054 42.059 -0.084 0.000 1.291 19 L HN 0.872 nan 8.230 nan 0.000 0.406 20 G N 1.510 110.195 108.800 -0.192 0.000 2.356 20 G HA2 0.420 4.380 3.960 0.001 0.000 0.281 20 G HA3 0.420 4.380 3.960 0.001 0.000 0.281 20 G C -2.053 172.614 174.900 -0.388 0.000 1.246 20 G CA -0.540 44.439 45.100 -0.201 0.000 0.889 20 G HN 0.176 nan 8.290 nan 0.000 0.486 21 F N -0.645 119.340 119.950 0.057 0.000 2.556 21 F HA 0.680 5.208 4.527 0.001 0.000 0.327 21 F C 0.105 175.963 175.800 0.097 0.000 1.059 21 F CA -0.977 57.066 58.000 0.071 0.000 0.953 21 F CB 1.923 40.970 39.000 0.078 0.000 1.227 21 F HN 0.324 nan 8.300 nan 0.000 0.478 22 L N 2.214 123.604 121.223 0.277 0.000 2.385 22 L HA 0.179 4.520 4.340 0.001 0.000 0.285 22 L C 1.073 178.089 176.870 0.243 0.000 1.125 22 L CA 0.305 55.268 54.840 0.206 0.000 0.890 22 L CB -0.799 41.331 42.059 0.118 0.000 1.251 22 L HN 0.695 nan 8.230 nan 0.000 0.445 23 H N 4.233 123.419 119.070 0.193 0.000 2.326 23 H HA -0.002 4.555 4.556 0.001 0.000 0.301 23 H C -0.579 174.911 175.328 0.271 0.000 1.081 23 H CA 1.950 58.116 56.048 0.196 0.000 1.334 23 H CB 0.235 30.107 29.762 0.184 0.000 1.385 23 H HN 0.652 nan 8.280 nan 0.000 0.504 24 W N 0.572 121.911 121.300 0.064 0.000 3.213 24 W HA 0.400 5.060 4.660 0.001 0.000 0.318 24 W C -1.508 175.050 176.519 0.066 0.000 1.248 24 W CA -0.881 56.466 57.345 0.004 0.000 1.187 24 W CB 0.882 30.351 29.460 0.015 0.000 1.403 24 W HN 0.144 nan 8.180 nan 0.000 0.556 25 R N 3.664 123.606 120.500 -0.930 0.000 2.781 25 R HA 0.867 5.208 4.340 0.001 0.000 0.269 25 R C -1.858 173.654 176.300 -1.314 0.000 1.025 25 R CA -1.323 54.273 56.100 -0.840 0.000 0.914 25 R CB 2.378 32.468 30.300 -0.350 0.000 1.236 25 R HN 0.658 nan 8.270 nan 0.000 0.465 26 R N 1.342 121.417 120.500 -0.707 0.000 2.725 26 R HA 0.108 4.448 4.340 0.001 0.000 0.276 26 R C -1.889 174.350 176.300 -0.102 0.000 1.189 26 R CA -0.442 55.404 56.100 -0.423 0.000 1.083 26 R CB 1.360 31.425 30.300 -0.390 0.000 1.262 26 R HN 0.785 nan 8.270 nan 0.000 0.415 27 D N 4.744 125.100 120.400 -0.072 0.000 2.308 27 D HA 0.191 4.832 4.640 0.001 0.000 0.251 27 D C 0.021 176.346 176.300 0.041 0.000 1.127 27 D CA -0.062 53.935 54.000 -0.004 0.000 0.876 27 D CB 1.179 41.965 40.800 -0.023 0.000 1.176 27 D HN 0.608 nan 8.370 nan 0.000 0.446 28 L N 3.488 124.762 121.223 0.086 0.000 3.218 28 L HA 0.354 4.695 4.340 0.001 0.000 0.279 28 L C 1.289 178.202 176.870 0.071 0.000 1.287 28 L CA -0.298 54.601 54.840 0.098 0.000 1.024 28 L CB 0.180 42.347 42.059 0.180 0.000 1.409 28 L HN 0.721 nan 8.230 nan 0.000 0.580 29 G N 2.094 110.920 108.800 0.043 0.000 3.110 29 G HA2 -0.277 3.683 3.960 0.001 0.000 0.238 29 G HA3 -0.277 3.683 3.960 0.001 0.000 0.238 29 G C 0.753 175.666 174.900 0.021 0.000 1.647 29 G CA 0.135 45.253 45.100 0.030 0.000 1.146 29 G HN 0.415 nan 8.290 nan 0.000 0.545 30 R N 1.161 121.674 120.500 0.022 0.000 2.280 30 R HA 0.448 4.788 4.340 0.001 0.000 0.195 30 R C 1.313 177.614 176.300 0.001 0.000 0.935 30 R CA 1.004 57.109 56.100 0.009 0.000 1.033 30 R CB -0.127 30.178 30.300 0.008 0.000 0.964 30 R HN 0.930 nan 8.270 nan 0.000 0.489 31 I N -0.548 120.030 120.570 0.014 0.000 2.689 31 I HA 0.434 4.605 4.170 0.001 0.000 0.299 31 I C -1.206 174.924 176.117 0.021 0.000 1.059 31 I CA -1.399 59.892 61.300 -0.014 0.000 1.055 31 I CB 2.371 40.358 38.000 -0.021 0.000 1.243 31 I HN -0.119 nan 8.210 nan 0.000 0.425 32 Q N 4.027 123.801 119.800 -0.042 0.000 2.345 32 Q HA 0.513 4.853 4.340 0.001 0.000 0.275 32 Q C -1.935 174.051 176.000 -0.023 0.000 1.063 32 Q CA -0.537 55.293 55.803 0.044 0.000 0.819 32 Q CB 2.323 31.067 28.738 0.009 0.000 1.356 32 Q HN 0.665 nan 8.270 nan 0.000 0.418 33 F N 1.426 121.410 119.950 0.056 0.000 2.408 33 F HA 0.547 5.075 4.527 0.001 0.000 0.344 33 F C -0.301 175.589 175.800 0.149 0.000 1.112 33 F CA -0.639 57.447 58.000 0.143 0.000 1.096 33 F CB 1.157 40.312 39.000 0.260 0.000 1.129 33 F HN 0.366 nan 8.300 nan 0.000 0.486 34 L N 3.399 124.807 121.223 0.309 0.000 2.301 34 L HA 0.599 4.940 4.340 0.001 0.000 0.264 34 L C -0.881 176.211 176.870 0.370 0.000 1.016 34 L CA -0.729 54.272 54.840 0.268 0.000 0.821 34 L CB 1.912 44.046 42.059 0.124 0.000 1.346 34 L HN 0.420 nan 8.230 nan 0.000 0.429 35 L N 2.459 123.917 121.223 0.393 0.000 2.372 35 L HA 0.550 4.891 4.340 0.001 0.000 0.274 35 L C -1.079 175.958 176.870 0.279 0.000 0.988 35 L CA -0.393 54.660 54.840 0.356 0.000 0.833 35 L CB 1.882 44.232 42.059 0.486 0.000 1.236 35 L HN 0.415 nan 8.230 nan 0.000 0.410 36 L N 4.738 126.071 121.223 0.184 0.000 2.307 36 L HA 0.557 4.897 4.340 0.001 0.000 0.284 36 L C -0.337 176.609 176.870 0.127 0.000 1.023 36 L CA -0.342 54.589 54.840 0.152 0.000 0.810 36 L CB 1.314 43.428 42.059 0.091 0.000 1.231 36 L HN 0.595 nan 8.230 nan 0.000 0.423 37 R N 3.641 124.242 120.500 0.168 0.000 2.343 37 R HA 0.380 4.721 4.340 0.001 0.000 0.320 37 R C -1.434 174.980 176.300 0.191 0.000 0.956 37 R CA -0.570 55.607 56.100 0.128 0.000 0.836 37 R CB 1.080 31.444 30.300 0.108 0.000 1.151 37 R HN 0.826 nan 8.270 nan 0.000 0.450 38 D N 2.541 123.012 120.400 0.119 0.000 2.621 38 D HA 0.116 4.756 4.640 0.001 0.000 0.255 38 D C 0.649 177.013 176.300 0.106 0.000 1.122 38 D CA -0.892 53.186 54.000 0.131 0.000 1.096 38 D CB 0.596 41.435 40.800 0.064 0.000 1.282 38 D HN 0.588 nan 8.370 nan 0.000 0.619 39 R N -0.672 119.888 120.500 0.100 0.000 2.341 39 R HA -0.065 4.275 4.340 0.001 0.000 0.213 39 R C 0.837 177.163 176.300 0.043 0.000 1.082 39 R CA 1.582 57.726 56.100 0.072 0.000 1.017 39 R CB -0.577 29.766 30.300 0.071 0.000 0.860 39 R HN 0.366 nan 8.270 nan 0.000 0.473 40 S N -1.704 114.017 115.700 0.035 0.000 2.540 40 S HA 0.412 4.882 4.470 0.001 0.000 0.222 40 S C 0.613 175.219 174.600 0.011 0.000 1.008 40 S CA -0.076 58.137 58.200 0.022 0.000 0.939 40 S CB 1.089 64.302 63.200 0.021 0.000 0.865 40 S HN 0.639 nan 8.310 nan 0.000 0.499 41 G N 0.111 108.916 108.800 0.008 0.000 2.356 41 G HA2 0.367 4.328 3.960 0.001 0.000 0.288 41 G HA3 0.367 4.328 3.960 0.001 0.000 0.288 41 G C -1.984 172.903 174.900 -0.021 0.000 1.302 41 G CA -0.238 44.855 45.100 -0.013 0.000 0.887 41 G HN 0.553 nan 8.290 nan 0.000 0.521 42 V N -0.364 119.525 119.914 -0.042 0.000 2.604 42 V HA 0.819 4.940 4.120 0.001 0.000 0.305 42 V C -0.417 175.678 176.094 0.001 0.000 1.043 42 V CA -0.694 61.581 62.300 -0.042 0.000 0.888 42 V CB 1.444 33.181 31.823 -0.143 0.000 0.995 42 V HN 1.364 nan 8.190 nan 0.000 0.429 43 V N 4.533 124.470 119.914 0.037 0.000 2.841 43 V HA 0.514 4.634 4.120 0.001 0.000 0.310 43 V C -0.384 175.765 176.094 0.091 0.000 1.090 43 V CA -0.472 61.859 62.300 0.052 0.000 0.930 43 V CB 2.029 33.877 31.823 0.042 0.000 1.014 43 V HN 1.041 nan 8.190 nan 0.000 0.425 44 Q N 3.767 123.629 119.800 0.103 0.000 2.332 44 Q HA 0.579 4.919 4.340 0.001 0.000 0.263 44 Q C -1.582 174.493 176.000 0.124 0.000 0.979 44 Q CA -0.153 55.744 55.803 0.158 0.000 0.885 44 Q CB 1.534 30.381 28.738 0.182 0.000 1.218 44 Q HN 0.671 nan 8.270 nan 0.000 0.405 45 V N 4.514 124.506 119.914 0.129 0.000 2.638 45 V HA 0.380 4.501 4.120 0.001 0.000 0.306 45 V C -0.740 175.334 176.094 -0.035 0.000 1.052 45 V CA -0.836 61.491 62.300 0.045 0.000 0.885 45 V CB 2.090 33.938 31.823 0.042 0.000 0.999 45 V HN 0.663 nan 8.190 nan 0.000 0.424 46 V N 3.868 123.697 119.914 -0.142 0.000 2.398 46 V HA 0.740 4.861 4.120 0.001 0.000 0.286 46 V C 0.366 176.331 176.094 -0.215 0.000 1.026 46 V CA -0.271 61.819 62.300 -0.349 0.000 0.868 46 V CB 1.554 33.117 31.823 -0.433 0.000 0.982 46 V HN 1.054 nan 8.190 nan 0.000 0.443 47 T N 1.151 115.580 114.554 -0.208 0.000 2.888 47 T HA 0.908 5.258 4.350 0.001 0.000 0.288 47 T C -0.118 174.516 174.700 -0.111 0.000 1.063 47 T CA -0.548 61.480 62.100 -0.120 0.000 1.010 47 T CB 2.208 71.030 68.868 -0.076 0.000 1.214 47 T HN 1.040 nan 8.240 nan 0.000 0.533 48 G N -1.794 106.964 108.800 -0.070 0.000 2.701 48 G HA2 0.571 4.531 3.960 0.001 0.000 0.300 48 G HA3 0.571 4.531 3.960 0.001 0.000 0.300 48 G C 0.645 175.525 174.900 -0.034 0.000 1.410 48 G CA -0.210 44.859 45.100 -0.051 0.000 1.014 48 G HN 1.841 nan 8.290 nan 0.000 0.509 49 G N -0.528 108.257 108.800 -0.024 0.000 2.258 49 G HA2 -0.070 3.891 3.960 0.001 0.000 0.274 49 G HA3 -0.070 3.891 3.960 0.001 0.000 0.274 49 G C 0.119 175.007 174.900 -0.019 0.000 1.021 49 G CA 0.907 45.996 45.100 -0.018 0.000 0.798 49 G HN 1.510 nan 8.290 nan 0.000 0.507 50 L N -0.263 120.946 121.223 -0.024 0.000 2.296 50 L HA 0.793 5.134 4.340 0.001 0.000 0.286 50 L C 0.016 176.872 176.870 -0.022 0.000 1.023 50 L CA -1.314 53.512 54.840 -0.024 0.000 0.812 50 L CB 1.012 43.054 42.059 -0.029 0.000 1.223 50 L HN 0.073 nan 8.230 nan 0.000 0.421 51 K N 6.370 126.758 120.400 -0.020 0.000 2.262 51 K HA 0.347 4.668 4.320 0.001 0.000 0.288 51 K C -0.733 175.852 176.600 -0.024 0.000 1.090 51 K CA 0.018 56.293 56.287 -0.020 0.000 0.918 51 K CB 0.019 32.510 32.500 -0.015 0.000 1.139 51 K HN 0.554 nan 8.250 nan 0.000 0.462 52 L N 5.154 126.358 121.223 -0.032 0.000 2.559 52 L HA 0.065 4.406 4.340 0.001 0.000 0.274 52 L C -1.728 175.122 176.870 -0.034 0.000 1.205 52 L CA -1.415 53.401 54.840 -0.040 0.000 0.907 52 L CB -0.150 41.870 42.059 -0.065 0.000 1.153 52 L HN 0.394 nan 8.230 nan 0.000 0.490 53 P HA 0.206 nan 4.420 nan 0.000 0.277 53 P C -0.469 176.822 177.300 -0.014 0.000 1.271 53 P CA -0.826 62.267 63.100 -0.011 0.000 0.795 53 P CB 0.535 32.236 31.700 0.001 0.000 1.101 54 L N 1.318 122.540 121.223 -0.002 0.000 2.473 54 L HA 0.199 4.540 4.340 0.001 0.000 0.268 54 L C -1.956 174.920 176.870 0.011 0.000 1.215 54 L CA -1.417 53.421 54.840 -0.004 0.000 0.823 54 L CB -1.196 40.869 42.059 0.010 0.000 1.099 54 L HN 0.253 nan 8.230 nan 0.000 0.483 55 P HA 0.045 nan 4.420 nan 0.000 0.268 55 P C 0.176 177.515 177.300 0.066 0.000 1.208 55 P CA 0.311 63.423 63.100 0.020 0.000 0.777 55 P CB 0.433 32.127 31.700 -0.011 0.000 0.875 56 E N -1.115 119.154 120.200 0.116 0.000 3.927 56 E HA -0.148 4.203 4.350 0.001 0.000 0.330 56 E C -0.575 176.187 176.600 0.270 0.000 0.751 56 E CA 0.867 57.369 56.400 0.171 0.000 1.254 56 E CB -2.011 27.741 29.700 0.088 0.000 1.643 56 E HN 0.356 nan 8.360 nan 0.000 0.430 57 S N -0.255 115.564 115.700 0.197 0.000 2.580 57 S HA 0.642 5.112 4.470 0.001 0.000 0.274 57 S C 0.262 174.943 174.600 0.135 0.000 1.329 57 S CA -0.039 58.252 58.200 0.152 0.000 1.036 57 S CB 1.438 64.681 63.200 0.073 0.000 0.919 57 S HN 0.452 nan 8.310 nan 0.000 0.515 58 A N 3.301 126.132 122.820 0.019 0.000 2.320 58 A HA 0.657 4.978 4.320 0.001 0.000 0.287 58 A C -0.391 177.103 177.584 -0.150 0.000 1.181 58 A CA -0.478 51.417 52.037 -0.236 0.000 0.831 58 A CB -0.165 18.672 19.000 -0.273 0.000 1.102 58 A HN 0.774 nan 8.150 nan 0.000 0.513 59 L N 1.719 122.840 121.223 -0.170 0.000 2.309 59 L HA 0.708 5.049 4.340 0.001 0.000 0.261 59 L C 0.232 177.041 176.870 -0.103 0.000 1.021 59 L CA -0.869 53.914 54.840 -0.096 0.000 0.823 59 L CB 2.140 44.171 42.059 -0.046 0.000 1.366 59 L HN 0.828 nan 8.230 nan 0.000 0.423 60 R N 1.122 121.580 120.500 -0.069 0.000 2.451 60 R HA 0.705 5.045 4.340 0.001 0.000 0.307 60 R C -1.990 174.284 176.300 -0.042 0.000 0.965 60 R CA -0.407 55.657 56.100 -0.060 0.000 0.865 60 R CB 1.823 32.091 30.300 -0.054 0.000 1.174 60 R HN 0.449 nan 8.270 nan 0.000 0.455 61 V N 4.640 124.531 119.914 -0.038 0.000 2.555 61 V HA 0.567 4.687 4.120 0.001 0.000 0.302 61 V C -0.250 175.826 176.094 -0.030 0.000 1.038 61 V CA -0.846 61.437 62.300 -0.029 0.000 0.887 61 V CB 1.810 33.621 31.823 -0.020 0.000 0.991 61 V HN 0.704 nan 8.190 nan 0.000 0.434 62 R N 2.115 122.598 120.500 -0.027 0.000 2.476 62 R HA 0.724 5.064 4.340 0.001 0.000 0.305 62 R C -0.303 175.984 176.300 -0.023 0.000 0.965 62 R CA 0.002 56.086 56.100 -0.026 0.000 0.867 62 R CB 1.825 32.111 30.300 -0.024 0.000 1.176 62 R HN 1.019 nan 8.270 nan 0.000 0.447 63 G N 2.465 111.253 108.800 -0.021 0.000 2.489 63 G HA2 0.255 4.215 3.960 0.001 0.000 0.305 63 G HA3 0.255 4.215 3.960 0.001 0.000 0.305 63 G C -2.247 172.648 174.900 -0.009 0.000 1.311 63 G CA -0.815 44.276 45.100 -0.016 0.000 0.813 63 G HN 0.452 nan 8.290 nan 0.000 0.480 64 L N 0.762 121.982 121.223 -0.004 0.000 2.292 64 L HA 0.715 5.056 4.340 0.001 0.000 0.284 64 L C 0.019 176.897 176.870 0.012 0.000 1.065 64 L CA -0.602 54.242 54.840 0.006 0.000 0.806 64 L CB 1.612 43.674 42.059 0.005 0.000 1.175 64 L HN 0.324 nan 8.230 nan 0.000 0.431 65 V N 6.284 126.214 119.914 0.026 0.000 2.455 65 V HA 0.369 4.489 4.120 0.001 0.000 0.273 65 V C -0.070 176.043 176.094 0.032 0.000 1.045 65 V CA -0.262 62.059 62.300 0.034 0.000 0.976 65 V CB 1.127 32.986 31.823 0.059 0.000 0.993 65 V HN 0.589 nan 8.190 nan 0.000 0.475 66 V N 4.525 124.457 119.914 0.030 0.000 2.735 66 V HA 0.391 4.512 4.120 0.001 0.000 0.310 66 V C -0.080 176.034 176.094 0.033 0.000 1.061 66 V CA -1.020 61.297 62.300 0.029 0.000 0.913 66 V CB 2.172 34.010 31.823 0.025 0.000 1.005 66 V HN 0.857 nan 8.190 nan 0.000 0.428 67 E N 3.023 123.240 120.200 0.029 0.000 2.290 67 E HA 0.217 4.568 4.350 0.001 0.000 0.277 67 E C -0.377 176.242 176.600 0.033 0.000 1.035 67 E CA 0.016 56.433 56.400 0.028 0.000 0.873 67 E CB 0.765 30.478 29.700 0.022 0.000 1.029 67 E HN 0.645 nan 8.360 nan 0.000 0.419 68 N N 1.810 120.531 118.700 0.036 0.000 2.581 68 N HA 0.216 4.957 4.740 0.001 0.000 0.279 68 N C 0.155 175.684 175.510 0.032 0.000 1.124 68 N CA -0.189 52.887 53.050 0.042 0.000 0.833 68 N CB 0.832 39.357 38.487 0.064 0.000 1.338 68 N HN 0.478 nan 8.380 nan 0.000 0.533 69 A N 3.064 125.898 122.820 0.023 0.000 2.131 69 A HA -0.133 4.187 4.320 0.001 0.000 0.220 69 A C 1.453 179.044 177.584 0.010 0.000 1.158 69 A CA 1.182 53.228 52.037 0.014 0.000 0.665 69 A CB -0.094 18.913 19.000 0.010 0.000 0.795 69 A HN 0.709 nan 8.150 nan 0.000 0.460 70 K N -0.679 119.730 120.400 0.015 0.000 2.374 70 K HA 0.418 4.738 4.320 0.001 0.000 0.196 70 K C 0.320 176.923 176.600 0.005 0.000 1.023 70 K CA 0.322 56.611 56.287 0.004 0.000 1.103 70 K CB 0.381 32.883 32.500 0.003 0.000 0.848 70 K HN 0.396 nan 8.250 nan 0.000 0.528 71 A N 2.093 124.926 122.820 0.021 0.000 2.337 71 A HA 0.500 4.820 4.320 0.001 0.000 0.331 71 A C -2.649 174.943 177.584 0.013 0.000 1.137 71 A CA -1.973 50.081 52.037 0.028 0.000 0.807 71 A CB 0.507 19.546 19.000 0.064 0.000 1.250 71 A HN -0.116 nan 8.150 nan 0.000 0.468 72 P HA 0.266 nan 4.420 nan 0.000 0.261 72 P C 0.951 178.255 177.300 0.006 0.000 1.203 72 P CA 2.097 65.194 63.100 -0.004 0.000 0.767 72 P CB 0.489 32.181 31.700 -0.012 0.000 0.785 73 G N 3.176 111.977 108.800 0.003 0.000 2.213 73 G HA2 -0.111 3.850 3.960 0.001 0.000 0.236 73 G HA3 -0.111 3.850 3.960 0.001 0.000 0.236 73 G C 0.884 175.792 174.900 0.012 0.000 0.991 73 G CA 0.153 45.258 45.100 0.007 0.000 0.629 73 G HN 0.972 nan 8.290 nan 0.000 0.517 74 G N -1.646 107.162 108.800 0.014 0.000 2.179 74 G HA2 0.098 4.058 3.960 0.001 0.000 0.260 74 G HA3 0.098 4.058 3.960 0.001 0.000 0.260 74 G C 0.325 175.240 174.900 0.025 0.000 0.977 74 G CA 1.417 46.527 45.100 0.016 0.000 0.641 74 G HN 2.196 nan 8.290 nan 0.000 0.533 75 L N -2.855 118.387 121.223 0.031 0.000 2.403 75 L HA 1.070 5.410 4.340 0.001 0.000 0.253 75 L C -0.557 176.341 176.870 0.047 0.000 1.045 75 L CA -1.116 53.746 54.840 0.037 0.000 0.845 75 L CB 1.411 43.491 42.059 0.035 0.000 1.447 75 L HN 0.500 nan 8.230 nan 0.000 0.411 76 E N -0.735 119.494 120.200 0.049 0.000 2.449 76 E HA 0.777 5.128 4.350 0.001 0.000 0.278 76 E C -1.712 174.909 176.600 0.036 0.000 0.992 76 E CA -1.192 55.241 56.400 0.054 0.000 0.807 76 E CB 2.408 32.153 29.700 0.075 0.000 1.350 76 E HN 0.386 nan 8.360 nan 0.000 0.462 77 V N 1.470 121.401 119.914 0.028 0.000 2.378 77 V HA 0.230 4.350 4.120 0.001 0.000 0.288 77 V C -0.662 175.426 176.094 -0.012 0.000 1.016 77 V CA -0.689 61.616 62.300 0.010 0.000 0.840 77 V CB 1.190 33.017 31.823 0.007 0.000 0.994 77 V HN 0.588 nan 8.190 nan 0.000 0.431 78 Q N 3.498 123.288 119.800 -0.018 0.000 2.377 78 Q HA 0.573 4.914 4.340 0.001 0.000 0.249 78 Q C 0.242 176.221 176.000 -0.036 0.000 1.005 78 Q CA -0.275 55.503 55.803 -0.041 0.000 0.912 78 Q CB 1.537 30.255 28.738 -0.033 0.000 1.223 78 Q HN 0.890 nan 8.270 nan 0.000 0.459 79 A N 3.072 125.864 122.820 -0.046 0.000 2.409 79 A HA 0.102 4.423 4.320 0.001 0.000 0.262 79 A C 0.494 178.056 177.584 -0.036 0.000 1.113 79 A CA -0.142 51.873 52.037 -0.037 0.000 0.790 79 A CB 0.410 19.387 19.000 -0.038 0.000 1.046 79 A HN 0.783 nan 8.150 nan 0.000 0.496 80 K N 0.537 120.921 120.400 -0.027 0.000 2.323 80 K HA 0.091 4.412 4.320 0.001 0.000 0.197 80 K C 0.399 176.985 176.600 -0.023 0.000 1.043 80 K CA 0.802 57.075 56.287 -0.024 0.000 0.997 80 K CB 0.470 32.959 32.500 -0.018 0.000 0.807 80 K HN 0.851 nan 8.250 nan 0.000 0.497 81 E N 0.583 120.769 120.200 -0.024 0.000 2.335 81 E HA 0.278 4.628 4.350 0.001 0.000 0.280 81 E C -1.806 174.779 176.600 -0.025 0.000 0.918 81 E CA -0.660 55.727 56.400 -0.023 0.000 0.765 81 E CB 2.130 31.818 29.700 -0.020 0.000 1.218 81 E HN -0.229 nan 8.360 nan 0.000 0.425 82 V N 3.396 123.296 119.914 -0.024 0.000 2.623 82 V HA 0.403 4.524 4.120 0.001 0.000 0.304 82 V C -0.784 175.295 176.094 -0.024 0.000 1.054 82 V CA -0.740 61.546 62.300 -0.025 0.000 0.882 82 V CB 1.751 33.560 31.823 -0.024 0.000 1.002 82 V HN 0.726 nan 8.190 nan 0.000 0.424 83 E N 3.342 123.526 120.200 -0.027 0.000 2.199 83 E HA 0.561 4.912 4.350 0.001 0.000 0.265 83 E C -1.497 175.085 176.600 -0.030 0.000 0.882 83 E CA -0.614 55.770 56.400 -0.026 0.000 0.759 83 E CB 2.237 31.920 29.700 -0.027 0.000 1.148 83 E HN 0.480 nan 8.360 nan 0.000 0.412 84 V N 7.260 127.160 119.914 -0.024 0.000 2.356 84 V HA 0.057 4.177 4.120 0.001 0.000 0.258 84 V C 1.381 177.460 176.094 -0.025 0.000 1.065 84 V CA 0.050 62.337 62.300 -0.023 0.000 0.935 84 V CB 0.371 32.187 31.823 -0.012 0.000 1.061 84 V HN 0.834 nan 8.190 nan 0.000 0.484 85 L N 2.803 124.002 121.223 -0.039 0.000 2.093 85 L HA 0.038 4.379 4.340 0.001 0.000 0.208 85 L C 1.190 178.046 176.870 -0.023 0.000 1.085 85 L CA 1.333 56.149 54.840 -0.039 0.000 0.755 85 L CB -0.043 41.976 42.059 -0.067 0.000 0.904 85 L HN 0.666 nan 8.230 nan 0.000 0.435 86 S N -0.654 115.036 115.700 -0.016 0.000 2.609 86 S HA 0.391 4.861 4.470 0.001 0.000 0.250 86 S C -2.657 171.961 174.600 0.030 0.000 1.112 86 S CA -1.163 57.044 58.200 0.012 0.000 1.102 86 S CB 1.105 64.320 63.200 0.026 0.000 1.124 86 S HN -0.217 nan 8.310 nan 0.000 0.460 87 P HA 0.330 nan 4.420 nan 0.000 0.271 87 P C -0.778 176.549 177.300 0.046 0.000 1.220 87 P CA -0.144 62.974 63.100 0.031 0.000 0.768 87 P CB 0.718 32.428 31.700 0.018 0.000 0.848 88 A N 3.460 126.313 122.820 0.056 0.000 2.354 88 A HA 0.326 4.646 4.320 0.001 0.000 0.269 88 A C 0.912 178.522 177.584 0.044 0.000 1.109 88 A CA -0.264 51.812 52.037 0.064 0.000 0.800 88 A CB -0.170 18.875 19.000 0.076 0.000 1.045 88 A HN 0.567 nan 8.150 nan 0.000 0.489 89 L N 0.614 121.864 121.223 0.045 0.000 2.208 89 L HA 0.167 4.508 4.340 0.001 0.000 0.196 89 L C 0.751 177.641 176.870 0.033 0.000 1.130 89 L CA 0.137 54.997 54.840 0.033 0.000 0.791 89 L CB -0.609 41.468 42.059 0.030 0.000 0.969 89 L HN 0.558 nan 8.230 nan 0.000 0.468 90 E N 0.867 121.092 120.200 0.042 0.000 2.374 90 E HA 0.267 4.618 4.350 0.001 0.000 0.260 90 E C -2.068 174.558 176.600 0.043 0.000 1.101 90 E CA -1.664 54.761 56.400 0.042 0.000 0.907 90 E CB 0.029 29.761 29.700 0.053 0.000 1.014 90 E HN 0.050 nan 8.360 nan 0.000 0.427 91 P HA 0.059 nan 4.420 nan 0.000 0.272 91 P C -0.518 176.805 177.300 0.037 0.000 1.240 91 P CA -0.184 62.932 63.100 0.027 0.000 0.791 91 P CB 0.326 32.037 31.700 0.019 0.000 0.978 92 T N -1.112 113.458 114.554 0.027 0.000 2.817 92 T HA 0.486 4.837 4.350 0.001 0.000 0.293 92 T C -1.739 172.973 174.700 0.020 0.000 0.964 92 T CA -1.244 60.870 62.100 0.025 0.000 1.085 92 T CB -0.553 68.318 68.868 0.004 0.000 0.921 92 T HN 0.177 nan 8.240 nan 0.000 0.502 112 R N 0.758 120.804 120.500 -0.756 0.000 2.066 112 R HA -0.105 4.235 4.340 0.001 0.000 0.232 112 R C 2.107 178.233 176.300 -0.291 0.000 1.131 112 R CA 2.396 58.145 56.100 -0.584 0.000 0.955 112 R CB -1.150 28.990 30.300 -0.267 0.000 0.851 112 R HN 0.674 nan 8.270 nan 0.000 0.432 113 Y N -2.001 118.315 120.300 0.028 0.000 2.736 113 Y HA -0.004 4.547 4.550 0.001 0.000 0.298 113 Y C 1.486 177.390 175.900 0.006 0.000 1.156 113 Y CA 0.590 58.731 58.100 0.069 0.000 1.384 113 Y CB -0.534 37.975 38.460 0.082 0.000 0.976 113 Y HN 0.010 nan 8.280 nan 0.000 0.556 114 V N -1.673 118.050 119.914 -0.319 0.000 3.245 114 V HA -0.043 4.078 4.120 0.001 0.000 0.246 114 V C 1.825 177.786 176.094 -0.221 0.000 1.487 114 V CA 1.156 63.335 62.300 -0.202 0.000 1.154 114 V CB 0.435 32.146 31.823 -0.187 0.000 0.971 114 V HN 0.439 nan 8.190 nan 0.000 0.443 115 T N 0.033 114.407 114.554 -0.300 0.000 2.962 115 T HA -0.022 4.329 4.350 0.001 0.000 0.270 115 T C 1.764 176.332 174.700 -0.220 0.000 1.088 115 T CA 1.677 63.626 62.100 -0.250 0.000 1.127 115 T CB -0.342 68.332 68.868 -0.323 0.000 0.883 115 T HN 0.387 nan 8.240 nan 0.000 0.493 116 L N 0.321 121.404 121.223 -0.233 0.000 2.275 116 L HA 0.028 4.368 4.340 0.001 0.000 0.215 116 L C 2.707 179.487 176.870 -0.151 0.000 1.119 116 L CA 0.980 55.698 54.840 -0.204 0.000 0.790 116 L CB -0.234 41.697 42.059 -0.215 0.000 0.919 116 L HN 0.241 nan 8.230 nan 0.000 0.443 117 R N -0.175 120.235 120.500 -0.151 0.000 2.193 117 R HA -0.045 4.295 4.340 0.001 0.000 0.229 117 R C 1.141 177.388 176.300 -0.089 0.000 1.110 117 R CA 0.489 56.497 56.100 -0.153 0.000 0.988 117 R CB -0.549 29.608 30.300 -0.238 0.000 0.871 117 R HN 0.315 nan 8.270 nan 0.000 0.458 118 G N 0.792 109.555 108.800 -0.061 0.000 2.484 118 G HA2 -0.110 3.851 3.960 0.001 0.000 0.235 118 G HA3 -0.110 3.851 3.960 0.001 0.000 0.235 118 G C 0.272 175.159 174.900 -0.022 0.000 1.282 118 G CA -0.365 44.733 45.100 -0.004 0.000 0.857 118 G HN 0.232 nan 8.290 nan 0.000 0.571 119 E N 1.027 121.216 120.200 -0.017 0.000 2.085 119 E HA -0.163 4.187 4.350 0.001 0.000 0.194 119 E C 2.276 178.869 176.600 -0.011 0.000 0.994 119 E CA 1.327 57.710 56.400 -0.027 0.000 0.801 119 E CB 0.048 29.720 29.700 -0.047 0.000 0.743 119 E HN 0.572 nan 8.360 nan 0.000 0.453 120 K N 0.130 120.530 120.400 0.000 0.000 2.167 120 K HA 0.008 4.329 4.320 0.001 0.000 0.203 120 K C 2.119 178.724 176.600 0.009 0.000 1.052 120 K CA 0.711 57.008 56.287 0.017 0.000 0.956 120 K CB 0.053 32.573 32.500 0.034 0.000 0.735 120 K HN 0.028 nan 8.250 nan 0.000 0.451 121 A N 2.451 125.253 122.820 -0.029 0.000 1.855 121 A HA -0.198 4.123 4.320 0.001 0.000 0.215 121 A C 2.101 179.639 177.584 -0.078 0.000 1.191 121 A CA 1.550 53.538 52.037 -0.081 0.000 0.613 121 A CB -0.461 18.459 19.000 -0.133 0.000 0.829 121 A HN 0.366 nan 8.150 nan 0.000 0.442 122 R N -0.605 119.856 120.500 -0.066 0.000 2.236 122 R HA 0.268 4.608 4.340 0.001 0.000 0.208 122 R C 2.040 178.326 176.300 -0.022 0.000 1.036 122 R CA 1.120 57.185 56.100 -0.058 0.000 1.001 122 R CB -0.571 29.697 30.300 -0.053 0.000 0.896 122 R HN 0.287 nan 8.270 nan 0.000 0.464 123 A N 2.861 125.679 122.820 -0.004 0.000 1.884 123 A HA -0.119 4.202 4.320 0.001 0.000 0.219 123 A C -0.242 177.362 177.584 0.033 0.000 1.197 123 A CA 1.399 53.448 52.037 0.019 0.000 0.637 123 A CB -1.454 17.564 19.000 0.029 0.000 0.827 123 A HN 0.334 nan 8.150 nan 0.000 0.450 124 P HA -0.148 nan 4.420 nan 0.000 0.215 124 P C 1.442 178.762 177.300 0.034 0.000 1.153 124 P CA 1.008 64.138 63.100 0.050 0.000 0.853 124 P CB -0.184 31.554 31.700 0.062 0.000 0.788 125 L N -1.001 120.225 121.223 0.005 0.000 2.083 125 L HA -0.153 4.188 4.340 0.001 0.000 0.209 125 L C 2.515 179.395 176.870 0.015 0.000 1.083 125 L CA 1.354 56.191 54.840 -0.005 0.000 0.752 125 L CB -0.842 41.189 42.059 -0.047 0.000 0.899 125 L HN -0.029 nan 8.230 nan 0.000 0.433 126 K N 0.450 120.862 120.400 0.021 0.000 2.103 126 K HA -0.088 4.233 4.320 0.001 0.000 0.204 126 K C 2.019 178.649 176.600 0.050 0.000 1.052 126 K CA 1.007 57.314 56.287 0.032 0.000 0.945 126 K CB -0.029 32.489 32.500 0.029 0.000 0.722 126 K HN 0.131 nan 8.250 nan 0.000 0.443 127 V N 1.256 121.206 119.914 0.061 0.000 2.307 127 V HA -0.243 3.878 4.120 0.001 0.000 0.245 127 V C 2.662 178.805 176.094 0.082 0.000 1.045 127 V CA 1.910 64.262 62.300 0.087 0.000 1.024 127 V CB -0.480 31.412 31.823 0.114 0.000 0.651 127 V HN 0.442 nan 8.190 nan 0.000 0.449 128 Q N -0.114 119.724 119.800 0.063 0.000 2.112 128 Q HA -0.257 4.084 4.340 0.001 0.000 0.206 128 Q C 2.258 178.288 176.000 0.051 0.000 0.987 128 Q CA 2.168 58.002 55.803 0.051 0.000 0.858 128 Q CB -0.335 28.425 28.738 0.038 0.000 0.905 128 Q HN 0.648 nan 8.270 nan 0.000 0.420 129 A N 0.473 123.325 122.820 0.052 0.000 1.940 129 A HA -0.170 4.151 4.320 0.001 0.000 0.219 129 A C 2.223 179.847 177.584 0.068 0.000 1.176 129 A CA 1.778 53.850 52.037 0.058 0.000 0.631 129 A CB -0.926 18.107 19.000 0.054 0.000 0.814 129 A HN 0.568 nan 8.150 nan 0.000 0.446 130 A N -0.298 122.565 122.820 0.072 0.000 1.898 130 A HA 0.027 4.347 4.320 0.001 0.000 0.216 130 A C 2.157 179.796 177.584 0.091 0.000 1.181 130 A CA 1.348 53.433 52.037 0.080 0.000 0.620 130 A CB -0.589 18.462 19.000 0.084 0.000 0.819 130 A HN 0.464 nan 8.150 nan 0.000 0.442 131 L N -0.309 120.969 121.223 0.090 0.000 2.012 131 L HA -0.204 4.136 4.340 0.001 0.000 0.210 131 L C 2.523 179.449 176.870 0.093 0.000 1.073 131 L CA 1.452 56.344 54.840 0.086 0.000 0.748 131 L CB -0.709 41.385 42.059 0.059 0.000 0.891 131 L HN 0.260 nan 8.230 nan 0.000 0.431 132 V N -0.378 119.578 119.914 0.071 0.000 2.407 132 V HA -0.274 3.846 4.120 0.001 0.000 0.248 132 V C 2.625 178.815 176.094 0.160 0.000 1.055 132 V CA 1.809 64.163 62.300 0.090 0.000 1.049 132 V CB -0.789 31.066 31.823 0.053 0.000 0.662 132 V HN 0.454 nan 8.190 nan 0.000 0.455 133 R N 0.540 121.112 120.500 0.120 0.000 2.081 133 R HA -0.131 4.209 4.340 0.001 0.000 0.235 133 R C 2.358 178.719 176.300 0.102 0.000 1.131 133 R CA 1.761 57.926 56.100 0.108 0.000 0.960 133 R CB -0.693 29.659 30.300 0.086 0.000 0.856 133 R HN 0.531 nan 8.270 nan 0.000 0.436 134 G N 0.233 109.099 108.800 0.110 0.000 2.418 134 G HA2 -0.306 3.655 3.960 0.001 0.000 0.217 134 G HA3 -0.306 3.655 3.960 0.001 0.000 0.217 134 G C 1.243 176.201 174.900 0.096 0.000 1.158 134 G CA 0.561 45.719 45.100 0.097 0.000 0.771 134 G HN 0.403 nan 8.290 nan 0.000 0.545 135 F N 1.731 121.649 119.950 -0.054 0.000 2.069 135 F HA -0.077 4.451 4.527 0.001 0.000 0.298 135 F C 2.902 178.552 175.800 -0.250 0.000 1.113 135 F CA 1.907 59.831 58.000 -0.128 0.000 1.214 135 F CB -0.145 38.785 39.000 -0.118 0.000 0.978 135 F HN -0.016 nan 8.300 nan 0.000 0.474 136 R N -0.154 120.270 120.500 -0.126 0.000 2.092 136 R HA -0.150 4.190 4.340 0.001 0.000 0.231 136 R C 2.485 178.645 176.300 -0.233 0.000 1.119 136 R CA 1.444 57.338 56.100 -0.344 0.000 0.970 136 R CB -0.559 29.767 30.300 0.044 0.000 0.864 136 R HN 0.332 nan 8.270 nan 0.000 0.440 137 R N 0.173 120.624 120.500 -0.082 0.000 2.073 137 R HA -0.213 4.127 4.340 0.001 0.000 0.234 137 R C 2.170 178.417 176.300 -0.088 0.000 1.134 137 R CA 1.698 57.772 56.100 -0.043 0.000 0.952 137 R CB -0.402 29.906 30.300 0.014 0.000 0.850 137 R HN 0.235 nan 8.270 nan 0.000 0.433 138 Y N 1.149 121.330 120.300 -0.199 0.000 2.114 138 Y HA -0.189 4.361 4.550 0.001 0.000 0.284 138 Y C 1.941 177.671 175.900 -0.284 0.000 1.143 138 Y CA 1.867 59.843 58.100 -0.207 0.000 1.135 138 Y CB -0.271 38.058 38.460 -0.218 0.000 0.980 138 Y HN 0.034 nan 8.280 nan 0.000 0.499 139 L N -0.191 120.771 121.223 -0.436 0.000 2.083 139 L HA -0.209 4.132 4.340 0.001 0.000 0.209 139 L C 2.071 178.820 176.870 -0.201 0.000 1.083 139 L CA 1.382 55.839 54.840 -0.638 0.000 0.752 139 L CB -0.611 40.753 42.059 -1.159 0.000 0.899 139 L HN 0.183 nan 8.230 nan 0.000 0.433 140 D N 0.021 120.346 120.400 -0.125 0.000 2.144 140 D HA -0.190 4.450 4.640 0.001 0.000 0.199 140 D C 2.256 178.545 176.300 -0.019 0.000 0.984 140 D CA 1.024 55.049 54.000 0.040 0.000 0.834 140 D CB -0.085 40.740 40.800 0.042 0.000 0.955 140 D HN 0.166 nan 8.370 nan 0.000 0.465 141 R N 0.189 120.615 120.500 -0.123 0.000 2.235 141 R HA -0.072 4.269 4.340 0.001 0.000 0.213 141 R C 1.047 177.259 176.300 -0.146 0.000 1.059 141 R CA 0.763 56.780 56.100 -0.138 0.000 0.997 141 R CB 0.188 30.376 30.300 -0.187 0.000 0.884 141 R HN -0.073 nan 8.270 nan 0.000 0.462 142 Q N 0.390 120.106 119.800 -0.139 0.000 2.246 142 Q HA 0.069 4.410 4.340 0.001 0.000 0.202 142 Q C -0.822 175.276 176.000 0.164 0.000 0.883 142 Q CA 0.302 56.100 55.803 -0.008 0.000 0.952 142 Q CB 0.506 29.245 28.738 0.002 0.000 1.078 142 Q HN 0.211 nan 8.270 nan 0.000 0.493 143 D N -1.446 119.017 120.400 0.104 0.000 3.017 143 D HA -0.205 4.436 4.640 0.001 0.000 0.220 143 D C -1.036 175.309 176.300 0.074 0.000 1.141 143 D CA 0.523 54.559 54.000 0.058 0.000 0.848 143 D CB -1.501 39.293 40.800 -0.010 0.000 1.102 143 D HN 0.204 nan 8.370 nan 0.000 0.427 144 F N 0.363 120.307 119.950 -0.010 0.000 2.389 144 F HA 0.380 4.908 4.527 0.001 0.000 0.337 144 F C 1.468 177.238 175.800 -0.050 0.000 1.112 144 F CA 0.092 58.113 58.000 0.035 0.000 1.192 144 F CB 1.091 40.200 39.000 0.182 0.000 1.185 144 F HN -0.336 nan 8.300 nan 0.000 0.552 145 T N 2.365 116.874 114.554 -0.074 0.000 2.758 145 T HA 0.180 4.530 4.350 0.001 0.000 0.285 145 T C -0.394 173.981 174.700 -0.541 0.000 0.981 145 T CA -0.750 61.130 62.100 -0.367 0.000 0.965 145 T CB 0.934 69.311 68.868 -0.818 0.000 0.927 145 T HN 0.544 nan 8.240 nan 0.000 0.448 146 E N 3.882 123.651 120.200 -0.718 0.000 2.360 146 E HA 0.379 4.730 4.350 0.001 0.000 0.269 146 E C -0.311 175.843 176.600 -0.744 0.000 1.022 146 E CA -0.508 55.209 56.400 -1.139 0.000 0.887 146 E CB 0.450 29.645 29.700 -0.841 0.000 0.990 146 E HN 0.666 nan 8.360 nan 0.000 0.426 147 I N -0.029 120.073 120.570 -0.780 0.000 2.957 147 I HA 0.570 4.740 4.170 0.001 0.000 0.310 147 I C -1.193 174.402 176.117 -0.870 0.000 1.063 147 I CA -1.246 59.728 61.300 -0.543 0.000 1.033 147 I CB 1.576 39.465 38.000 -0.186 0.000 1.230 147 I HN 0.332 nan 8.210 nan 0.000 0.447 148 F N 1.295 121.219 119.950 -0.044 0.000 2.577 148 F HA 0.498 5.025 4.527 0.001 0.000 0.344 148 F C 0.327 176.083 175.800 -0.073 0.000 1.145 148 F CA -0.560 57.415 58.000 -0.041 0.000 0.996 148 F CB 1.898 40.878 39.000 -0.034 0.000 1.248 148 F HN 0.637 nan 8.300 nan 0.000 0.447 149 T N 0.035 114.599 114.554 0.016 0.000 2.948 149 T HA 0.771 5.122 4.350 0.001 0.000 0.285 149 T C -2.028 172.601 174.700 -0.120 0.000 1.019 149 T CA -1.874 60.148 62.100 -0.130 0.000 1.013 149 T CB 1.317 70.090 68.868 -0.159 0.000 1.117 149 T HN 0.174 nan 8.240 nan 0.000 0.533 180 Q N 0.757 120.581 119.800 0.041 0.000 2.084 180 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 180 Q C 2.000 178.014 176.000 0.024 0.000 0.978 180 Q CA 1.835 57.630 55.803 -0.013 0.000 0.844 180 Q CB -0.594 28.035 28.738 -0.183 0.000 0.898 180 Q HN 0.360 nan 8.270 nan 0.000 0.426 181 L N -0.562 120.690 121.223 0.049 0.000 2.046 181 L HA -0.155 4.185 4.340 0.001 0.000 0.208 181 L C 1.733 178.599 176.870 -0.008 0.000 1.077 181 L CA 1.750 56.632 54.840 0.071 0.000 0.747 181 L CB -0.733 41.381 42.059 0.092 0.000 0.896 181 L HN 0.259 nan 8.230 nan 0.000 0.432 182 Y N 0.560 120.892 120.300 0.054 0.000 2.128 182 Y HA -0.248 4.303 4.550 0.001 0.000 0.284 182 Y C 2.595 178.490 175.900 -0.009 0.000 1.154 182 Y CA 1.805 59.915 58.100 0.017 0.000 1.149 182 Y CB -0.744 37.735 38.460 0.030 0.000 0.976 182 Y HN 0.217 nan 8.280 nan 0.000 0.505 183 K N -0.116 120.384 120.400 0.168 0.000 2.057 183 K HA -0.223 4.098 4.320 0.001 0.000 0.207 183 K C 2.113 178.726 176.600 0.022 0.000 1.049 183 K CA 1.684 58.023 56.287 0.087 0.000 0.931 183 K CB -0.276 32.273 32.500 0.081 0.000 0.714 183 K HN 0.434 nan 8.250 nan 0.000 0.440 184 Q N 0.582 120.381 119.800 -0.000 0.000 2.061 184 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 184 Q C 2.196 178.058 176.000 -0.229 0.000 0.984 184 Q CA 1.495 57.225 55.803 -0.122 0.000 0.846 184 Q CB -0.236 28.471 28.738 -0.053 0.000 0.902 184 Q HN 0.352 nan 8.270 nan 0.000 0.421 185 I N -0.000 120.470 120.570 -0.166 0.000 2.163 185 I HA -0.300 3.870 4.170 0.001 0.000 0.243 185 I C 2.188 178.217 176.117 -0.147 0.000 1.085 185 I CA 0.978 62.171 61.300 -0.178 0.000 1.347 185 I CB -0.166 37.787 38.000 -0.078 0.000 1.044 185 I HN 0.288 nan 8.210 nan 0.000 0.408 186 M N 0.001 119.558 119.600 -0.071 0.000 2.358 186 M HA -0.111 4.369 4.480 0.001 0.000 0.264 186 M C 2.088 178.349 176.300 -0.065 0.000 1.064 186 M CA 1.293 56.561 55.300 -0.054 0.000 1.093 186 M CB -0.617 32.011 32.600 0.047 0.000 1.401 186 M HN 0.005 nan 8.290 nan 0.000 0.440 187 V N -0.666 119.189 119.914 -0.099 0.000 2.407 187 V HA -0.190 3.930 4.120 0.001 0.000 0.248 187 V C 2.285 178.291 176.094 -0.147 0.000 1.055 187 V CA 2.014 64.246 62.300 -0.114 0.000 1.049 187 V CB -1.425 30.288 31.823 -0.183 0.000 0.662 187 V HN 0.577 nan 8.190 nan 0.000 0.455 188 G N -1.056 107.618 108.800 -0.210 0.000 2.559 188 G HA2 -0.094 3.866 3.960 0.001 0.000 0.216 188 G HA3 -0.094 3.866 3.960 0.001 0.000 0.216 188 G C 1.437 176.233 174.900 -0.174 0.000 1.126 188 G CA 1.115 46.098 45.100 -0.195 0.000 0.778 188 G HN 0.424 nan 8.290 nan 0.000 0.543 189 V N -0.933 118.845 119.914 -0.226 0.000 2.581 189 V HA 0.263 4.384 4.120 0.001 0.000 0.240 189 V C 1.764 177.593 176.094 -0.441 0.000 1.054 189 V CA 0.899 62.957 62.300 -0.403 0.000 1.076 189 V CB -0.291 31.161 31.823 -0.619 0.000 0.748 189 V HN 0.350 nan 8.190 nan 0.000 0.474 190 F N -0.932 118.980 119.950 -0.063 0.000 2.682 190 F HA 0.289 4.816 4.527 0.001 0.000 0.308 190 F C 1.499 177.249 175.800 -0.084 0.000 1.093 190 F CA 0.225 58.184 58.000 -0.070 0.000 1.244 190 F CB 0.472 39.422 39.000 -0.083 0.000 1.052 190 F HN 0.090 nan 8.300 nan 0.000 0.573 191 E N 0.358 120.607 120.200 0.083 0.000 5.086 191 E HA -0.292 4.059 4.350 0.001 0.000 0.187 191 E C 0.084 176.636 176.600 -0.080 0.000 1.056 191 E CA 1.623 58.057 56.400 0.056 0.000 2.105 191 E CB -0.699 29.072 29.700 0.118 0.000 1.787 191 E HN 0.456 nan 8.360 nan 0.000 0.445 192 R N 0.080 120.452 120.500 -0.214 0.000 2.510 192 R HA 0.626 4.967 4.340 0.001 0.000 0.287 192 R C -0.689 175.410 176.300 -0.335 0.000 1.084 192 R CA -0.482 55.261 56.100 -0.596 0.000 0.934 192 R CB 2.170 31.548 30.300 -1.538 0.000 1.201 192 R HN 0.063 nan 8.270 nan 0.000 0.431 193 V N -0.298 119.629 119.914 0.021 0.000 3.159 193 V HA 0.821 4.941 4.120 0.001 0.000 0.308 193 V C -1.411 174.890 176.094 0.343 0.000 1.190 193 V CA -1.040 61.357 62.300 0.162 0.000 1.037 193 V CB 1.979 33.831 31.823 0.048 0.000 1.060 193 V HN 0.862 nan 8.190 nan 0.000 0.437 194 Y N -0.613 119.767 120.300 0.134 0.000 2.625 194 Y HA 0.914 5.464 4.550 0.001 0.000 0.338 194 Y C -0.841 175.066 175.900 0.012 0.000 1.123 194 Y CA -0.793 57.356 58.100 0.082 0.000 1.046 194 Y CB 1.930 40.398 38.460 0.013 0.000 1.299 194 Y HN 0.998 nan 8.280 nan 0.000 0.464 195 E N 1.038 121.384 120.200 0.243 0.000 2.366 195 E HA 0.669 5.019 4.350 0.001 0.000 0.278 195 E C -2.249 174.465 176.600 0.190 0.000 0.923 195 E CA -1.041 55.397 56.400 0.063 0.000 0.761 195 E CB 2.790 32.469 29.700 -0.035 0.000 1.231 195 E HN 0.664 nan 8.360 nan 0.000 0.443 196 V N 2.530 122.520 119.914 0.126 0.000 2.376 196 V HA 0.871 4.991 4.120 0.001 0.000 0.287 196 V C -0.437 175.701 176.094 0.073 0.000 1.015 196 V CA -0.056 62.302 62.300 0.098 0.000 0.834 196 V CB 0.593 32.498 31.823 0.136 0.000 1.001 196 V HN 0.771 nan 8.190 nan 0.000 0.428 197 A N 6.446 129.293 122.820 0.045 0.000 2.586 197 A HA 0.920 5.240 4.320 0.001 0.000 0.291 197 A C -3.328 174.254 177.584 -0.004 0.000 1.062 197 A CA -1.288 50.773 52.037 0.040 0.000 0.666 197 A CB 1.758 20.788 19.000 0.049 0.000 1.281 197 A HN 0.532 nan 8.150 nan 0.000 0.421 198 P HA 0.525 nan 4.420 nan 0.000 0.272 198 P C -0.638 176.559 177.300 -0.172 0.000 1.223 198 P CA -0.064 62.982 63.100 -0.090 0.000 0.784 198 P CB 0.917 32.593 31.700 -0.040 0.000 0.923 214 Y N 1.110 121.439 120.300 0.048 0.000 2.641 214 Y HA 0.472 5.023 4.550 0.001 0.000 0.333 214 Y C -1.901 174.022 175.900 0.038 0.000 1.174 214 Y CA -1.253 56.873 58.100 0.043 0.000 1.057 214 Y CB 0.866 39.349 38.460 0.038 0.000 1.322 214 Y HN 0.456 nan 8.280 nan 0.000 0.457 215 L N 3.090 124.449 121.223 0.227 0.000 2.360 215 L HA 0.415 4.756 4.340 0.001 0.000 0.276 215 L C -0.088 176.907 176.870 0.208 0.000 1.121 215 L CA 0.050 54.966 54.840 0.127 0.000 0.845 215 L CB 1.097 43.211 42.059 0.091 0.000 1.143 215 L HN 0.857 nan 8.230 nan 0.000 0.452 216 S N 5.291 121.050 115.700 0.098 0.000 2.482 216 S HA 0.595 5.066 4.470 0.001 0.000 0.303 216 S C -0.565 174.040 174.600 0.009 0.000 1.091 216 S CA -0.723 57.557 58.200 0.133 0.000 1.057 216 S CB 1.030 64.311 63.200 0.136 0.000 1.031 216 S HN 0.519 nan 8.310 nan 0.000 0.485 217 L N 4.273 125.456 121.223 -0.067 0.000 2.301 217 L HA 0.507 4.848 4.340 0.001 0.000 0.278 217 L C -0.983 175.886 176.870 -0.001 0.000 1.022 217 L CA -0.757 53.915 54.840 -0.280 0.000 0.854 217 L CB 0.956 42.474 42.059 -0.902 0.000 1.226 217 L HN 0.515 nan 8.230 nan 0.000 0.429 218 D N 2.175 122.656 120.400 0.134 0.000 2.177 218 D HA 0.566 5.206 4.640 0.001 0.000 0.247 218 D C -0.522 175.879 176.300 0.169 0.000 1.063 218 D CA -0.100 53.980 54.000 0.133 0.000 0.867 218 D CB 2.648 43.508 40.800 0.100 0.000 1.168 218 D HN 0.043 nan 8.370 nan 0.000 0.445 219 V N 1.582 121.433 119.914 -0.105 0.000 2.789 219 V HA 0.638 4.758 4.120 0.001 0.000 0.311 219 V C -0.607 175.407 176.094 -0.134 0.000 1.073 219 V CA -0.719 61.471 62.300 -0.182 0.000 0.921 219 V CB 2.040 33.429 31.823 -0.724 0.000 1.009 219 V HN 0.488 nan 8.190 nan 0.000 0.426 220 E N 3.977 124.240 120.200 0.104 0.000 2.311 220 E HA 0.702 5.052 4.350 0.001 0.000 0.281 220 E C -1.096 175.604 176.600 0.166 0.000 0.905 220 E CA -0.489 55.982 56.400 0.119 0.000 0.778 220 E CB 1.736 31.495 29.700 0.099 0.000 1.240 220 E HN 0.763 nan 8.360 nan 0.000 0.410 221 M N 1.981 121.679 119.600 0.163 0.000 2.446 221 M HA 0.879 5.359 4.480 0.001 0.000 0.294 221 M C -0.383 175.975 176.300 0.095 0.000 1.158 221 M CA -0.875 54.476 55.300 0.086 0.000 0.899 221 M CB 2.097 34.783 32.600 0.144 0.000 1.687 221 M HN 0.473 nan 8.290 nan 0.000 0.455 222 G N 0.811 109.629 108.800 0.029 0.000 2.552 222 G HA2 0.743 4.704 3.960 0.001 0.000 0.324 222 G HA3 0.743 4.704 3.960 0.001 0.000 0.324 222 G C -0.726 174.196 174.900 0.037 0.000 1.217 222 G CA -0.908 44.166 45.100 -0.044 0.000 0.989 222 G HN 0.902 nan 8.290 nan 0.000 0.490 223 F N -1.891 118.061 119.950 0.003 0.000 3.080 223 F HA -0.182 4.346 4.527 0.001 0.000 0.292 223 F C 0.970 176.765 175.800 -0.009 0.000 0.891 223 F CA 0.567 58.556 58.000 -0.019 0.000 1.086 223 F CB -2.193 36.790 39.000 -0.027 0.000 1.095 223 F HN 0.607 nan 8.300 nan 0.000 0.633 224 I N -2.578 118.042 120.570 0.083 0.000 2.918 224 I HA 0.788 4.959 4.170 0.001 0.000 0.316 224 I C 1.130 177.262 176.117 0.025 0.000 1.001 224 I CA -0.296 61.044 61.300 0.067 0.000 1.142 224 I CB 1.544 39.580 38.000 0.060 0.000 1.356 224 I HN -0.048 nan 8.210 nan 0.000 0.524 225 A N 1.852 124.680 122.820 0.014 0.000 1.887 225 A HA 0.151 4.472 4.320 0.001 0.000 0.212 225 A C 0.320 177.872 177.584 -0.053 0.000 1.198 225 A CA 1.601 53.632 52.037 -0.010 0.000 0.628 225 A CB -0.654 18.344 19.000 -0.004 0.000 0.847 225 A HN 1.007 nan 8.150 nan 0.000 0.449 226 D N -3.841 116.524 120.400 -0.058 0.000 2.792 226 D HA 0.107 4.747 4.640 0.001 0.000 0.335 226 D C 0.497 176.762 176.300 -0.059 0.000 1.353 226 D CA 0.071 54.010 54.000 -0.103 0.000 0.839 226 D CB -0.170 40.563 40.800 -0.111 0.000 1.396 226 D HN -0.010 nan 8.370 nan 0.000 0.479 227 E N 0.201 120.370 120.200 -0.052 0.000 2.267 227 E HA -0.274 4.076 4.350 0.001 0.000 0.197 227 E C 1.093 177.634 176.600 -0.097 0.000 0.998 227 E CA 1.411 57.822 56.400 0.018 0.000 0.830 227 E CB -0.132 29.630 29.700 0.103 0.000 0.751 227 E HN 0.483 nan 8.360 nan 0.000 0.491 228 E N 1.350 121.469 120.200 -0.135 0.000 2.160 228 E HA -0.164 4.186 4.350 0.001 0.000 0.195 228 E C 1.347 177.846 176.600 -0.169 0.000 0.991 228 E CA 1.530 57.808 56.400 -0.204 0.000 0.810 228 E CB -0.205 29.410 29.700 -0.142 0.000 0.742 228 E HN 0.277 nan 8.360 nan 0.000 0.466 229 D N -0.578 119.779 120.400 -0.072 0.000 2.178 229 D HA -0.129 4.511 4.640 0.001 0.000 0.201 229 D C 1.823 178.135 176.300 0.019 0.000 0.980 229 D CA 0.754 54.749 54.000 -0.008 0.000 0.842 229 D CB -0.099 40.729 40.800 0.046 0.000 0.948 229 D HN 0.256 nan 8.370 nan 0.000 0.472 230 L N -0.445 120.794 121.223 0.026 0.000 2.027 230 L HA -0.080 4.260 4.340 0.001 0.000 0.206 230 L C 2.505 179.256 176.870 -0.198 0.000 1.074 230 L CA 0.839 55.765 54.840 0.144 0.000 0.745 230 L CB -0.364 41.928 42.059 0.390 0.000 0.898 230 L HN 0.011 nan 8.230 nan 0.000 0.433 231 M N -0.747 118.465 119.600 -0.647 0.000 2.117 231 M HA -0.181 4.300 4.480 0.001 0.000 0.262 231 M C 2.521 178.536 176.300 -0.475 0.000 1.065 231 M CA 1.684 56.381 55.300 -1.006 0.000 1.114 231 M CB -0.283 31.386 32.600 -1.551 0.000 1.361 231 M HN 0.113 nan 8.290 nan 0.000 0.408 232 R N 0.121 120.440 120.500 -0.302 0.000 2.096 232 R HA -0.132 4.208 4.340 0.001 0.000 0.235 232 R C 2.189 178.423 176.300 -0.110 0.000 1.127 232 R CA 1.249 57.251 56.100 -0.164 0.000 0.968 232 R CB -0.478 29.764 30.300 -0.098 0.000 0.861 232 R HN 0.379 nan 8.270 nan 0.000 0.440 233 L N 0.884 122.079 121.223 -0.046 0.000 2.093 233 L HA -0.154 4.187 4.340 0.001 0.000 0.208 233 L C 2.378 179.196 176.870 -0.086 0.000 1.085 233 L CA 1.484 56.347 54.840 0.039 0.000 0.755 233 L CB -0.171 42.023 42.059 0.225 0.000 0.904 233 L HN 0.194 nan 8.230 nan 0.000 0.435 234 E N -0.202 119.895 120.200 -0.171 0.000 2.110 234 E HA -0.268 4.083 4.350 0.001 0.000 0.193 234 E C 1.895 178.304 176.600 -0.319 0.000 0.988 234 E CA 1.375 57.603 56.400 -0.286 0.000 0.804 234 E CB 0.003 29.372 29.700 -0.551 0.000 0.745 234 E HN 0.580 nan 8.360 nan 0.000 0.458 235 E N 0.122 120.147 120.200 -0.291 0.000 2.031 235 E HA -0.219 4.132 4.350 0.001 0.000 0.193 235 E C 2.094 178.413 176.600 -0.469 0.000 0.994 235 E CA 1.050 57.209 56.400 -0.402 0.000 0.800 235 E CB -0.184 29.343 29.700 -0.290 0.000 0.752 235 E HN 0.378 nan 8.360 nan 0.000 0.447 236 A N 1.172 123.754 122.820 -0.396 0.000 1.933 236 A HA -0.173 4.148 4.320 0.001 0.000 0.218 236 A C 2.164 179.249 177.584 -0.833 0.000 1.175 236 A CA 1.087 52.840 52.037 -0.475 0.000 0.628 236 A CB -0.520 18.295 19.000 -0.309 0.000 0.814 236 A HN 0.230 nan 8.150 nan 0.000 0.444 237 L N -0.223 120.454 121.223 -0.910 0.000 2.017 237 L HA -0.097 4.243 4.340 0.001 0.000 0.208 237 L C 2.273 178.873 176.870 -0.450 0.000 1.073 237 L CA 1.742 56.081 54.840 -0.834 0.000 0.745 237 L CB -0.511 41.304 42.059 -0.407 0.000 0.894 237 L HN 0.391 nan 8.230 nan 0.000 0.432 238 L N -0.485 120.482 121.223 -0.427 0.000 2.083 238 L HA -0.197 4.144 4.340 0.001 0.000 0.209 238 L C 2.683 179.298 176.870 -0.424 0.000 1.083 238 L CA 1.179 55.762 54.840 -0.428 0.000 0.752 238 L CB -0.950 40.701 42.059 -0.681 0.000 0.899 238 L HN 0.414 nan 8.230 nan 0.000 0.433 239 A N -0.075 122.445 122.820 -0.501 0.000 1.933 239 A HA -0.264 4.057 4.320 0.001 0.000 0.218 239 A C 2.214 179.727 177.584 -0.120 0.000 1.175 239 A CA 1.956 53.755 52.037 -0.398 0.000 0.628 239 A CB -0.433 18.308 19.000 -0.432 0.000 0.814 239 A HN 0.445 nan 8.150 nan 0.000 0.444 240 E N -0.374 119.742 120.200 -0.139 0.000 2.072 240 E HA -0.148 4.203 4.350 0.001 0.000 0.191 240 E C 1.995 178.612 176.600 0.028 0.000 0.985 240 E CA 1.504 57.899 56.400 -0.009 0.000 0.801 240 E CB -0.298 29.412 29.700 0.017 0.000 0.750 240 E HN 0.639 nan 8.360 nan 0.000 0.452 241 M N 0.048 119.643 119.600 -0.008 0.000 2.065 241 M HA -0.180 4.300 4.480 0.001 0.000 0.259 241 M C 2.297 178.661 176.300 0.105 0.000 1.069 241 M CA 1.480 56.811 55.300 0.052 0.000 1.110 241 M CB -0.396 32.226 32.600 0.035 0.000 1.328 241 M HN 0.178 nan 8.290 nan 0.000 0.405 242 L N -0.336 120.952 121.223 0.109 0.000 2.017 242 L HA -0.219 4.121 4.340 0.001 0.000 0.208 242 L C 2.573 179.688 176.870 0.409 0.000 1.073 242 L CA 1.347 56.382 54.840 0.325 0.000 0.745 242 L CB -0.780 41.452 42.059 0.288 0.000 0.894 242 L HN 0.305 nan 8.230 nan 0.000 0.432 243 E N 0.685 121.041 120.200 0.260 0.000 2.085 243 E HA -0.282 4.069 4.350 0.001 0.000 0.194 243 E C 1.916 178.589 176.600 0.122 0.000 0.994 243 E CA 1.573 58.086 56.400 0.188 0.000 0.801 243 E CB 0.001 29.797 29.700 0.161 0.000 0.743 243 E HN 0.336 nan 8.360 nan 0.000 0.453 244 E N 0.010 120.282 120.200 0.120 0.000 2.072 244 E HA -0.070 4.281 4.350 0.001 0.000 0.191 244 E C 1.852 178.507 176.600 0.091 0.000 0.985 244 E CA 1.588 58.043 56.400 0.092 0.000 0.801 244 E CB -0.637 29.117 29.700 0.091 0.000 0.750 244 E HN 0.295 nan 8.360 nan 0.000 0.452 245 A N 0.168 123.072 122.820 0.140 0.000 1.933 245 A HA -0.121 4.200 4.320 0.001 0.000 0.218 245 A C 2.128 179.745 177.584 0.054 0.000 1.175 245 A CA 1.365 53.489 52.037 0.145 0.000 0.628 245 A CB -0.630 18.535 19.000 0.275 0.000 0.814 245 A HN 0.349 nan 8.150 nan 0.000 0.444 246 L N 0.298 121.515 121.223 -0.009 0.000 2.056 246 L HA -0.086 4.254 4.340 0.001 0.000 0.207 246 L C 1.672 178.479 176.870 -0.105 0.000 1.078 246 L CA 1.686 56.408 54.840 -0.197 0.000 0.749 246 L CB -0.757 41.114 42.059 -0.314 0.000 0.901 246 L HN 0.348 nan 8.230 nan 0.000 0.433 247 N N -1.570 117.108 118.700 -0.037 0.000 2.457 247 N HA -0.045 4.695 4.740 0.001 0.000 0.180 247 N C 1.441 176.947 175.510 -0.006 0.000 1.050 247 N CA 1.319 54.357 53.050 -0.021 0.000 0.906 247 N CB -0.017 38.471 38.487 0.002 0.000 0.968 247 N HN 0.523 nan 8.380 nan 0.000 0.445 248 T N -4.719 109.839 114.554 0.007 0.000 3.016 248 T HA 0.501 4.851 4.350 0.001 0.000 0.271 248 T C 0.852 175.562 174.700 0.017 0.000 0.968 248 T CA -0.008 62.102 62.100 0.017 0.000 0.891 248 T CB 0.454 69.341 68.868 0.032 0.000 1.149 248 T HN 0.031 nan 8.240 nan 0.000 0.524 249 A N 0.456 123.283 122.820 0.012 0.000 2.594 249 A HA 0.773 5.094 4.320 0.001 0.000 0.292 249 A C 1.818 179.396 177.584 -0.009 0.000 1.026 249 A CA 0.199 52.246 52.037 0.017 0.000 0.983 249 A CB -0.436 18.592 19.000 0.047 0.000 1.233 249 A HN 0.423 nan 8.150 nan 0.000 0.519 250 G N 0.505 109.279 108.800 -0.043 0.000 2.440 250 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 250 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 250 G C 0.988 175.858 174.900 -0.050 0.000 1.154 250 G CA 1.455 46.506 45.100 -0.080 0.000 0.767 250 G HN 0.434 nan 8.290 nan 0.000 0.552 251 D N 1.021 121.406 120.400 -0.025 0.000 2.104 251 D HA -0.104 4.537 4.640 0.001 0.000 0.194 251 D C 2.616 178.914 176.300 -0.003 0.000 0.994 251 D CA 1.364 55.355 54.000 -0.015 0.000 0.830 251 D CB -0.237 40.558 40.800 -0.007 0.000 0.959 251 D HN 0.486 nan 8.370 nan 0.000 0.452 252 E N 0.759 120.964 120.200 0.008 0.000 2.204 252 E HA -0.121 4.230 4.350 0.001 0.000 0.194 252 E C 2.483 179.106 176.600 0.039 0.000 0.989 252 E CA 0.370 56.783 56.400 0.023 0.000 0.824 252 E CB -0.470 29.249 29.700 0.031 0.000 0.756 252 E HN 0.392 nan 8.360 nan 0.000 0.477 253 I N 0.983 121.576 120.570 0.038 0.000 2.202 253 I HA -0.202 3.968 4.170 0.001 0.000 0.242 253 I C 2.772 178.918 176.117 0.048 0.000 1.091 253 I CA 1.067 62.409 61.300 0.070 0.000 1.368 253 I CB -0.229 37.791 38.000 0.032 0.000 1.058 253 I HN -0.010 nan 8.210 nan 0.000 0.410 254 R N 0.410 120.914 120.500 0.007 0.000 2.115 254 R HA -0.104 4.237 4.340 0.001 0.000 0.230 254 R C 2.356 178.664 176.300 0.013 0.000 1.111 254 R CA 0.960 57.062 56.100 0.005 0.000 0.976 254 R CB -0.278 30.012 30.300 -0.016 0.000 0.870 254 R HN 0.386 nan 8.270 nan 0.000 0.445 255 L N 0.880 122.110 121.223 0.013 0.000 2.046 255 L HA -0.152 4.188 4.340 0.001 0.000 0.208 255 L C 1.684 178.567 176.870 0.022 0.000 1.077 255 L CA 1.376 56.223 54.840 0.012 0.000 0.747 255 L CB -0.002 42.062 42.059 0.010 0.000 0.896 255 L HN 0.233 nan 8.230 nan 0.000 0.432 256 L N -0.410 120.834 121.223 0.036 0.000 2.599 256 L HA 0.128 4.469 4.340 0.001 0.000 0.230 256 L C 1.388 178.281 176.870 0.038 0.000 1.141 256 L CA 0.431 55.296 54.840 0.041 0.000 0.877 256 L CB -0.622 41.471 42.059 0.057 0.000 1.009 256 L HN 0.467 nan 8.230 nan 0.000 0.447 257 G N 1.059 109.881 108.800 0.037 0.000 2.321 257 G HA2 -0.314 3.646 3.960 0.001 0.000 0.287 257 G HA3 -0.314 3.646 3.960 0.001 0.000 0.287 257 G C 0.485 175.415 174.900 0.050 0.000 1.018 257 G CA 0.329 45.450 45.100 0.035 0.000 0.855 257 G HN 0.535 nan 8.290 nan 0.000 0.507 258 A N -0.448 122.422 122.820 0.083 0.000 2.386 258 A HA 0.679 4.999 4.320 0.001 0.000 0.248 258 A C 0.830 178.504 177.584 0.151 0.000 1.082 258 A CA 0.894 52.998 52.037 0.111 0.000 0.789 258 A CB 0.476 19.576 19.000 0.167 0.000 1.025 258 A HN 0.830 nan 8.150 nan 0.000 0.490 259 T N 2.428 117.057 114.554 0.125 0.000 2.767 259 T HA 0.236 4.586 4.350 0.001 0.000 0.288 259 T C -0.203 174.638 174.700 0.235 0.000 0.963 259 T CA -0.119 62.069 62.100 0.147 0.000 1.019 259 T CB 0.456 69.359 68.868 0.059 0.000 0.923 259 T HN 0.597 nan 8.240 nan 0.000 0.468 260 W N 4.595 125.925 121.300 0.050 0.000 2.253 260 W HA 0.200 4.861 4.660 0.001 0.000 0.322 260 W C -2.173 174.410 176.519 0.108 0.000 1.342 260 W CA -1.813 55.585 57.345 0.089 0.000 1.218 260 W CB 0.557 30.073 29.460 0.093 0.000 1.205 260 W HN 0.503 nan 8.180 nan 0.000 0.551 261 P HA -0.025 nan 4.420 nan 0.000 0.273 261 P C -0.523 176.859 177.300 0.136 0.000 1.250 261 P CA -0.087 62.988 63.100 -0.042 0.000 0.793 261 P CB 0.503 32.163 31.700 -0.067 0.000 1.011 262 S N 0.329 116.149 115.700 0.199 0.000 2.579 262 S HA 0.132 4.603 4.470 0.001 0.000 0.275 262 S C -0.021 174.839 174.600 0.432 0.000 1.345 262 S CA -0.603 57.775 58.200 0.297 0.000 1.031 262 S CB -0.257 63.097 63.200 0.256 0.000 0.892 262 S HN 0.291 nan 8.310 nan 0.000 0.529 263 F N 3.059 123.123 119.950 0.190 0.000 2.602 263 F HA 0.291 4.819 4.527 0.001 0.000 0.385 263 F C -2.127 173.632 175.800 -0.068 0.000 1.063 263 F CA -1.923 56.131 58.000 0.090 0.000 1.233 263 F CB 0.085 39.115 39.000 0.050 0.000 1.067 263 F HN 0.433 nan 8.300 nan 0.000 0.564 264 P HA 0.003 nan 4.420 nan 0.000 0.244 264 P C -1.325 175.416 177.300 -0.932 0.000 1.723 264 P CA 0.408 62.731 63.100 -1.295 0.000 1.110 264 P CB -0.149 30.630 31.700 -1.536 0.000 1.972 265 Q N 1.213 120.723 119.800 -0.484 0.000 2.309 265 Q HA 0.221 4.561 4.340 0.001 0.000 0.273 265 Q C -0.864 175.076 176.000 -0.100 0.000 1.040 265 Q CA -0.587 55.096 55.803 -0.200 0.000 0.834 265 Q CB 1.268 30.079 28.738 0.121 0.000 1.345 265 Q HN -0.003 nan 8.270 nan 0.000 0.414 266 D N 2.064 122.412 120.400 -0.087 0.000 2.751 266 D HA -0.198 4.443 4.640 0.001 0.000 0.233 266 D C -0.218 176.017 176.300 -0.109 0.000 1.149 266 D CA 1.052 55.012 54.000 -0.068 0.000 0.682 266 D CB -1.091 39.691 40.800 -0.029 0.000 1.068 266 D HN 0.566 nan 8.370 nan 0.000 0.429 267 I N 0.320 120.807 120.570 -0.139 0.000 2.880 267 I HA -0.063 4.108 4.170 0.001 0.000 0.296 267 I C -1.530 174.469 176.117 -0.197 0.000 1.220 267 I CA -0.820 60.366 61.300 -0.191 0.000 1.435 267 I CB 0.078 37.872 38.000 -0.343 0.000 1.339 267 I HN -0.213 nan 8.210 nan 0.000 0.583 268 P HA 0.087 nan 4.420 nan 0.000 0.268 268 P C -1.009 176.091 177.300 -0.334 0.000 1.204 268 P CA 0.000 62.668 63.100 -0.721 0.000 0.768 268 P CB 0.460 31.133 31.700 -1.711 0.000 0.842 269 R N 2.967 123.343 120.500 -0.208 0.000 2.393 269 R HA 0.619 4.959 4.340 0.001 0.000 0.310 269 R C -0.898 175.414 176.300 0.019 0.000 0.968 269 R CA -0.932 55.162 56.100 -0.011 0.000 0.867 269 R CB 1.142 31.430 30.300 -0.020 0.000 1.124 269 R HN 0.390 nan 8.270 nan 0.000 0.450 270 L N 1.832 123.114 121.223 0.098 0.000 2.439 270 L HA 0.271 4.612 4.340 0.001 0.000 0.270 270 L C -0.031 176.903 176.870 0.106 0.000 0.972 270 L CA -0.201 54.725 54.840 0.143 0.000 0.836 270 L CB 2.057 44.251 42.059 0.224 0.000 1.255 270 L HN 0.788 nan 8.230 nan 0.000 0.404 271 T N -0.734 113.868 114.554 0.080 0.000 2.900 271 T HA 0.064 4.415 4.350 0.001 0.000 0.307 271 T C 1.266 175.970 174.700 0.008 0.000 1.065 271 T CA 0.209 62.340 62.100 0.052 0.000 1.105 271 T CB 0.449 69.346 68.868 0.049 0.000 0.979 271 T HN 0.706 nan 8.240 nan 0.000 0.544 272 H N 1.790 120.761 119.070 -0.165 0.000 2.352 272 H HA -0.146 4.411 4.556 0.001 0.000 0.299 272 H C 2.259 177.507 175.328 -0.133 0.000 1.097 272 H CA 2.048 57.939 56.048 -0.262 0.000 1.311 272 H CB -0.485 29.013 29.762 -0.441 0.000 1.377 272 H HN 0.841 nan 8.280 nan 0.000 0.504 273 A N 0.917 123.738 122.820 0.002 0.000 1.858 273 A HA -0.214 4.107 4.320 0.001 0.000 0.216 273 A C 2.410 179.955 177.584 -0.066 0.000 1.190 273 A CA 1.831 53.855 52.037 -0.023 0.000 0.617 273 A CB -0.695 18.320 19.000 0.023 0.000 0.827 273 A HN 0.660 nan 8.150 nan 0.000 0.443 274 E N -0.192 119.986 120.200 -0.036 0.000 2.110 274 E HA -0.102 4.249 4.350 0.001 0.000 0.193 274 E C 2.088 178.637 176.600 -0.085 0.000 0.988 274 E CA 1.066 57.447 56.400 -0.032 0.000 0.804 274 E CB -0.290 29.424 29.700 0.023 0.000 0.745 274 E HN 0.522 nan 8.360 nan 0.000 0.458 275 A N 1.272 124.025 122.820 -0.112 0.000 1.908 275 A HA -0.246 4.075 4.320 0.001 0.000 0.218 275 A C 2.044 179.506 177.584 -0.203 0.000 1.181 275 A CA 1.872 53.813 52.037 -0.161 0.000 0.627 275 A CB -0.421 18.476 19.000 -0.173 0.000 0.818 275 A HN 0.182 nan 8.150 nan 0.000 0.445 276 K N -0.702 119.553 120.400 -0.241 0.000 2.026 276 K HA -0.132 4.188 4.320 0.001 0.000 0.208 276 K C 2.364 178.892 176.600 -0.119 0.000 1.048 276 K CA 1.504 57.677 56.287 -0.191 0.000 0.929 276 K CB -0.228 32.152 32.500 -0.201 0.000 0.713 276 K HN 0.391 nan 8.250 nan 0.000 0.439 277 R N 0.688 121.125 120.500 -0.105 0.000 2.083 277 R HA -0.125 4.216 4.340 0.001 0.000 0.237 277 R C 2.381 178.619 176.300 -0.104 0.000 1.137 277 R CA 1.540 57.591 56.100 -0.081 0.000 0.951 277 R CB -0.547 29.717 30.300 -0.061 0.000 0.851 277 R HN 0.225 nan 8.270 nan 0.000 0.434 278 I N 0.945 121.420 120.570 -0.159 0.000 2.208 278 I HA -0.309 3.862 4.170 0.001 0.000 0.245 278 I C 2.390 178.382 176.117 -0.208 0.000 1.097 278 I CA 1.257 62.407 61.300 -0.250 0.000 1.363 278 I CB -0.280 37.429 38.000 -0.485 0.000 1.051 278 I HN 0.159 nan 8.210 nan 0.000 0.413 279 L N 0.659 121.788 121.223 -0.157 0.000 1.989 279 L HA -0.271 4.069 4.340 0.001 0.000 0.211 279 L C 2.700 179.574 176.870 0.006 0.000 1.071 279 L CA 1.772 56.578 54.840 -0.057 0.000 0.749 279 L CB -0.502 41.563 42.059 0.010 0.000 0.890 279 L HN 0.225 nan 8.230 nan 0.000 0.431 280 K N 0.020 120.410 120.400 -0.016 0.000 2.031 280 K HA -0.168 4.153 4.320 0.001 0.000 0.205 280 K C 1.916 178.500 176.600 -0.027 0.000 1.049 280 K CA 1.486 57.761 56.287 -0.020 0.000 0.939 280 K CB 0.025 32.503 32.500 -0.038 0.000 0.717 280 K HN 0.310 nan 8.250 nan 0.000 0.438 281 E N 0.075 120.250 120.200 -0.041 0.000 2.051 281 E HA -0.128 4.223 4.350 0.001 0.000 0.189 281 E C 1.863 178.444 176.600 -0.032 0.000 0.979 281 E CA 1.260 57.638 56.400 -0.036 0.000 0.803 281 E CB 0.208 29.884 29.700 -0.040 0.000 0.761 281 E HN 0.419 nan 8.360 nan 0.000 0.451 282 E N 0.128 120.299 120.200 -0.049 0.000 2.244 282 E HA 0.068 4.419 4.350 0.001 0.000 0.196 282 E C 1.679 178.269 176.600 -0.017 0.000 0.939 282 E CA 0.236 56.617 56.400 -0.033 0.000 0.884 282 E CB 0.371 30.046 29.700 -0.043 0.000 0.850 282 E HN 0.154 nan 8.360 nan 0.000 0.481 283 L N 0.508 121.712 121.223 -0.032 0.000 2.628 283 L HA 0.280 4.621 4.340 0.001 0.000 0.229 283 L C 0.858 177.755 176.870 0.043 0.000 1.137 283 L CA -0.115 54.725 54.840 0.001 0.000 0.909 283 L CB 0.011 42.053 42.059 -0.029 0.000 1.137 283 L HN 0.116 nan 8.230 nan 0.000 0.470 284 G N 0.955 109.774 108.800 0.031 0.000 2.369 284 G HA2 -0.340 3.620 3.960 0.001 0.000 0.286 284 G HA3 -0.340 3.620 3.960 0.001 0.000 0.286 284 G C -0.521 174.435 174.900 0.094 0.000 0.938 284 G CA 0.322 45.445 45.100 0.038 0.000 1.271 284 G HN 0.421 nan 8.290 nan 0.000 0.488 285 Y N 1.410 121.685 120.300 -0.042 0.000 2.386 285 Y HA 0.563 5.113 4.550 0.001 0.000 0.334 285 Y C -2.323 173.554 175.900 -0.038 0.000 1.002 285 Y CA -2.708 55.370 58.100 -0.037 0.000 1.068 285 Y CB 2.456 40.892 38.460 -0.040 0.000 1.203 285 Y HN 0.106 nan 8.280 nan 0.000 0.443 286 P HA 0.013 nan 4.420 nan 0.000 0.249 286 P C -0.076 176.936 177.300 -0.480 0.000 1.737 286 P CA 0.493 63.313 63.100 -0.466 0.000 1.128 286 P CB 0.362 31.827 31.700 -0.391 0.000 1.942 287 V N 2.926 122.733 119.914 -0.177 0.000 2.924 287 V HA 0.510 4.631 4.120 0.001 0.000 0.305 287 V C 0.712 176.807 176.094 0.001 0.000 1.073 287 V CA 0.612 62.938 62.300 0.043 0.000 1.098 287 V CB 0.958 32.847 31.823 0.111 0.000 1.000 287 V HN 0.577 nan 8.190 nan 0.000 0.484 288 G N 2.702 111.537 108.800 0.058 0.000 3.175 288 G HA2 0.365 4.326 3.960 0.001 0.000 0.255 288 G HA3 0.365 4.326 3.960 0.001 0.000 0.255 288 G C 0.042 175.004 174.900 0.102 0.000 1.352 288 G CA 0.152 45.284 45.100 0.053 0.000 1.037 288 G HN 0.693 nan 8.290 nan 0.000 0.556 289 Q N -0.898 118.966 119.800 0.107 0.000 2.291 289 Q HA 0.007 4.348 4.340 0.001 0.000 0.205 289 Q C -0.096 176.028 176.000 0.207 0.000 0.970 289 Q CA 1.086 56.981 55.803 0.154 0.000 0.876 289 Q CB 0.130 28.919 28.738 0.085 0.000 0.935 289 Q HN 0.400 nan 8.270 nan 0.000 0.455 290 D N -0.043 120.460 120.400 0.173 0.000 2.308 290 D HA 0.227 4.867 4.640 0.001 0.000 0.242 290 D C -0.783 175.642 176.300 0.207 0.000 1.059 290 D CA -0.379 53.736 54.000 0.192 0.000 0.830 290 D CB 1.228 42.102 40.800 0.123 0.000 1.161 290 D HN 0.175 nan 8.370 nan 0.000 0.494 291 L N 2.437 123.818 121.223 0.263 0.000 2.418 291 L HA 0.103 4.443 4.340 0.001 0.000 0.274 291 L C 1.304 178.257 176.870 0.139 0.000 1.135 291 L CA -0.173 54.781 54.840 0.191 0.000 0.870 291 L CB 0.528 42.713 42.059 0.210 0.000 1.154 291 L HN 0.327 nan 8.230 nan 0.000 0.462 292 S N 1.362 117.131 115.700 0.115 0.000 2.669 292 S HA 0.116 4.586 4.470 0.001 0.000 0.270 292 S C 0.904 175.512 174.600 0.013 0.000 1.225 292 S CA -0.640 57.609 58.200 0.081 0.000 0.991 292 S CB 1.649 64.926 63.200 0.129 0.000 0.987 292 S HN 0.739 nan 8.310 nan 0.000 0.552 293 E N 0.202 120.404 120.200 0.004 0.000 2.118 293 E HA -0.249 4.102 4.350 0.001 0.000 0.195 293 E C 1.745 178.295 176.600 -0.084 0.000 0.992 293 E CA 1.599 57.981 56.400 -0.029 0.000 0.804 293 E CB -0.167 29.521 29.700 -0.020 0.000 0.741 293 E HN 0.787 nan 8.360 nan 0.000 0.458 294 E N 0.559 120.691 120.200 -0.113 0.000 2.072 294 E HA -0.132 4.219 4.350 0.001 0.000 0.191 294 E C 1.728 178.071 176.600 -0.429 0.000 0.985 294 E CA 1.578 57.840 56.400 -0.230 0.000 0.801 294 E CB -0.413 29.172 29.700 -0.191 0.000 0.750 294 E HN 0.311 nan 8.360 nan 0.000 0.452 295 A N 0.780 123.291 122.820 -0.515 0.000 1.877 295 A HA -0.219 4.102 4.320 0.001 0.000 0.216 295 A C 2.143 179.591 177.584 -0.226 0.000 1.186 295 A CA 1.847 53.580 52.037 -0.507 0.000 0.620 295 A CB -0.729 18.145 19.000 -0.210 0.000 0.822 295 A HN 0.388 nan 8.150 nan 0.000 0.443 296 E N -0.932 119.197 120.200 -0.118 0.000 2.118 296 E HA -0.214 4.136 4.350 0.001 0.000 0.195 296 E C 2.307 178.866 176.600 -0.069 0.000 0.992 296 E CA 1.171 57.544 56.400 -0.046 0.000 0.804 296 E CB -0.171 29.529 29.700 -0.001 0.000 0.741 296 E HN 0.588 nan 8.360 nan 0.000 0.458 297 R N 0.515 120.949 120.500 -0.110 0.000 2.081 297 R HA -0.162 4.178 4.340 0.001 0.000 0.235 297 R C 2.106 178.346 176.300 -0.101 0.000 1.131 297 R CA 0.891 56.925 56.100 -0.109 0.000 0.960 297 R CB -0.069 30.158 30.300 -0.122 0.000 0.856 297 R HN 0.092 nan 8.270 nan 0.000 0.436 298 L N 1.077 122.216 121.223 -0.140 0.000 2.017 298 L HA -0.157 4.183 4.340 0.001 0.000 0.208 298 L C 2.298 179.153 176.870 -0.025 0.000 1.073 298 L CA 1.556 56.331 54.840 -0.109 0.000 0.745 298 L CB -0.748 41.194 42.059 -0.194 0.000 0.894 298 L HN 0.242 nan 8.230 nan 0.000 0.432 299 L N -1.205 120.004 121.223 -0.023 0.000 2.127 299 L HA -0.175 4.165 4.340 0.001 0.000 0.211 299 L C 2.490 179.442 176.870 0.137 0.000 1.089 299 L CA 1.198 56.082 54.840 0.073 0.000 0.757 299 L CB -1.216 40.876 42.059 0.055 0.000 0.899 299 L HN 0.424 nan 8.230 nan 0.000 0.434 300 G N -0.058 108.770 108.800 0.046 0.000 2.446 300 G HA2 -0.243 3.717 3.960 0.001 0.000 0.217 300 G HA3 -0.243 3.717 3.960 0.001 0.000 0.217 300 G C 1.413 176.328 174.900 0.026 0.000 1.168 300 G CA 0.717 45.827 45.100 0.016 0.000 0.771 300 G HN 0.459 nan 8.290 nan 0.000 0.551 301 E N -0.630 119.580 120.200 0.016 0.000 2.072 301 E HA -0.145 4.205 4.350 0.001 0.000 0.191 301 E C 2.144 178.771 176.600 0.045 0.000 0.985 301 E CA 0.970 57.374 56.400 0.007 0.000 0.801 301 E CB -0.330 29.366 29.700 -0.006 0.000 0.750 301 E HN 0.583 nan 8.360 nan 0.000 0.452 302 Y N 1.449 121.735 120.300 -0.024 0.000 2.333 302 Y HA -0.202 4.348 4.550 0.001 0.000 0.290 302 Y C 2.179 178.075 175.900 -0.006 0.000 1.144 302 Y CA 1.259 59.337 58.100 -0.037 0.000 1.228 302 Y CB -0.092 38.348 38.460 -0.034 0.000 0.985 302 Y HN 0.002 nan 8.280 nan 0.000 0.542 303 A N 0.123 123.044 122.820 0.167 0.000 1.898 303 A HA -0.107 4.214 4.320 0.001 0.000 0.214 303 A C 2.190 179.894 177.584 0.200 0.000 1.183 303 A CA 1.422 53.670 52.037 0.351 0.000 0.622 303 A CB -0.553 18.697 19.000 0.418 0.000 0.824 303 A HN 0.445 nan 8.150 nan 0.000 0.444 304 K N -0.501 119.939 120.400 0.067 0.000 2.365 304 K HA -0.127 4.194 4.320 0.001 0.000 0.199 304 K C 1.813 178.391 176.600 -0.037 0.000 1.045 304 K CA 1.331 57.633 56.287 0.026 0.000 0.962 304 K CB 0.054 32.541 32.500 -0.021 0.000 0.759 304 K HN 0.443 nan 8.250 nan 0.000 0.469 305 E N 0.870 120.994 120.200 -0.128 0.000 2.057 305 E HA -0.102 4.248 4.350 0.001 0.000 0.190 305 E C 1.870 178.286 176.600 -0.307 0.000 0.969 305 E CA 1.138 57.420 56.400 -0.197 0.000 0.812 305 E CB -0.051 29.519 29.700 -0.217 0.000 0.777 305 E HN 0.186 nan 8.360 nan 0.000 0.455 306 R N -1.150 119.001 120.500 -0.582 0.000 2.193 306 R HA -0.031 4.309 4.340 0.001 0.000 0.213 306 R C 0.769 176.665 176.300 -0.672 0.000 1.055 306 R CA 1.221 56.822 56.100 -0.832 0.000 0.995 306 R CB 0.003 29.368 30.300 -1.559 0.000 0.893 306 R HN 0.317 nan 8.270 nan 0.000 0.459 307 W N -1.318 119.902 121.300 -0.133 0.000 2.413 307 W HA 0.353 5.013 4.660 0.001 0.000 0.288 307 W C 0.817 177.319 176.519 -0.029 0.000 0.958 307 W CA 0.337 57.647 57.345 -0.058 0.000 1.333 307 W CB 0.477 29.919 29.460 -0.031 0.000 1.002 307 W HN 0.340 nan 8.180 nan 0.000 0.562 308 G N 1.615 110.501 108.800 0.145 0.000 2.175 308 G HA2 -0.299 3.662 3.960 0.001 0.000 0.265 308 G HA3 -0.299 3.662 3.960 0.001 0.000 0.265 308 G C 0.306 175.281 174.900 0.126 0.000 0.979 308 G CA 0.913 46.071 45.100 0.096 0.000 0.663 308 G HN 0.196 nan 8.290 nan 0.000 0.533 309 S N -0.344 115.467 115.700 0.186 0.000 2.525 309 S HA 0.504 4.975 4.470 0.001 0.000 0.278 309 S C 0.922 175.575 174.600 0.089 0.000 1.234 309 S CA -0.033 58.271 58.200 0.174 0.000 1.058 309 S CB 0.977 64.289 63.200 0.186 0.000 0.983 309 S HN 0.171 nan 8.310 nan 0.000 0.495 310 D N 3.115 123.514 120.400 -0.000 0.000 2.340 310 D HA 0.106 4.747 4.640 0.001 0.000 0.220 310 D C -0.616 175.481 176.300 -0.338 0.000 1.039 310 D CA 0.465 54.311 54.000 -0.256 0.000 0.866 310 D CB 0.228 40.777 40.800 -0.418 0.000 0.913 310 D HN 0.539 nan 8.370 nan 0.000 0.523 311 W N 0.499 121.801 121.300 0.002 0.000 2.719 311 W HA 0.587 5.248 4.660 0.001 0.000 0.352 311 W C -0.522 175.895 176.519 -0.170 0.000 1.085 311 W CA -0.989 56.297 57.345 -0.099 0.000 1.187 311 W CB 1.162 30.463 29.460 -0.265 0.000 1.417 311 W HN -0.343 nan 8.180 nan 0.000 0.557 312 L N 1.967 123.194 121.223 0.005 0.000 2.565 312 L HA 0.560 4.900 4.340 0.001 0.000 0.261 312 L C -2.108 174.727 176.870 -0.059 0.000 0.932 312 L CA -0.848 53.963 54.840 -0.048 0.000 0.878 312 L CB 0.940 43.049 42.059 0.083 0.000 1.333 312 L HN 0.278 nan 8.230 nan 0.000 0.409 313 F N 4.721 124.682 119.950 0.019 0.000 2.404 313 F HA 0.615 5.143 4.527 0.001 0.000 0.354 313 F C 0.083 175.944 175.800 0.102 0.000 1.122 313 F CA -0.624 57.412 58.000 0.059 0.000 1.080 313 F CB 1.799 40.763 39.000 -0.059 0.000 1.131 313 F HN 0.165 nan 8.300 nan 0.000 0.471 314 V N 3.713 123.882 119.914 0.425 0.000 2.370 314 V HA 0.527 4.647 4.120 0.001 0.000 0.279 314 V C 0.152 176.499 176.094 0.422 0.000 1.029 314 V CA -0.529 61.963 62.300 0.321 0.000 0.870 314 V CB 1.398 33.402 31.823 0.303 0.000 0.984 314 V HN 0.884 nan 8.190 nan 0.000 0.451 315 T N 1.767 116.471 114.554 0.250 0.000 2.841 315 T HA 0.595 4.946 4.350 0.001 0.000 0.276 315 T C 0.191 174.991 174.700 0.167 0.000 1.003 315 T CA -0.855 61.406 62.100 0.268 0.000 0.995 315 T CB 1.224 70.184 68.868 0.152 0.000 1.260 315 T HN 0.434 nan 8.240 nan 0.000 0.581 316 R N -0.135 120.480 120.500 0.192 0.000 3.251 316 R HA -0.142 4.199 4.340 0.001 0.000 0.249 316 R C -1.083 175.262 176.300 0.074 0.000 0.949 316 R CA 0.162 56.338 56.100 0.126 0.000 0.645 316 R CB -2.843 27.503 30.300 0.077 0.000 1.065 316 R HN 0.746 nan 8.270 nan 0.000 0.452 317 Y N 0.731 121.027 120.300 -0.006 0.000 2.578 317 Y HA 0.089 4.640 4.550 0.001 0.000 0.339 317 Y C -1.231 174.570 175.900 -0.164 0.000 1.231 317 Y CA -1.538 56.459 58.100 -0.171 0.000 1.461 317 Y CB 0.112 38.474 38.460 -0.163 0.000 1.323 317 Y HN 0.103 nan 8.280 nan 0.000 0.590 318 P HA 0.036 nan 4.420 nan 0.000 0.266 318 P C 0.482 177.764 177.300 -0.030 0.000 1.195 318 P CA 0.080 63.139 63.100 -0.068 0.000 0.768 318 P CB 0.590 32.232 31.700 -0.097 0.000 0.838 319 R N 2.549 123.036 120.500 -0.022 0.000 2.159 319 R HA -0.167 4.174 4.340 0.001 0.000 0.237 319 R C 1.885 178.157 176.300 -0.047 0.000 1.131 319 R CA 2.215 58.295 56.100 -0.035 0.000 0.982 319 R CB -0.416 29.866 30.300 -0.031 0.000 0.868 319 R HN 0.598 nan 8.270 nan 0.000 0.453 320 S N -0.338 115.341 115.700 -0.036 0.000 2.402 320 S HA -0.095 4.376 4.470 0.001 0.000 0.229 320 S C 1.712 176.291 174.600 -0.035 0.000 1.021 320 S CA 0.963 59.144 58.200 -0.033 0.000 0.974 320 S CB -0.163 63.026 63.200 -0.019 0.000 0.800 320 S HN 0.281 nan 8.310 nan 0.000 0.484 321 V N -1.652 118.241 119.914 -0.036 0.000 3.421 321 V HA 0.567 4.688 4.120 0.001 0.000 0.316 321 V C 0.256 176.309 176.094 -0.068 0.000 1.347 321 V CA -0.624 61.658 62.300 -0.030 0.000 1.183 321 V CB -1.210 30.616 31.823 0.005 0.000 1.092 321 V HN 0.204 nan 8.190 nan 0.000 0.433 322 R N 0.552 120.992 120.500 -0.101 0.000 2.837 322 R HA 0.707 5.048 4.340 0.001 0.000 0.271 322 R C -2.989 173.165 176.300 -0.243 0.000 0.993 322 R CA -2.083 53.912 56.100 -0.175 0.000 0.931 322 R CB 1.913 32.112 30.300 -0.168 0.000 1.206 322 R HN 0.071 nan 8.270 nan 0.000 0.474 323 P HA -0.006 nan 4.420 nan 0.000 0.269 323 P C 0.183 177.095 177.300 -0.646 0.000 1.217 323 P CA 0.052 62.773 63.100 -0.630 0.000 0.783 323 P CB 0.258 31.199 31.700 -1.266 0.000 0.898 324 F N 0.666 120.319 119.950 -0.494 0.000 2.408 324 F HA -0.127 4.400 4.527 0.001 0.000 0.300 324 F C 1.377 176.995 175.800 -0.303 0.000 1.090 324 F CA 0.578 58.361 58.000 -0.362 0.000 1.427 324 F CB -1.479 37.308 39.000 -0.355 0.000 1.070 324 F HN 0.298 nan 8.300 nan 0.000 0.549 325 Y N 0.177 119.885 120.300 -0.987 0.000 2.461 325 Y HA 0.426 4.976 4.550 0.001 0.000 0.277 325 Y C 0.144 175.869 175.900 -0.291 0.000 1.182 325 Y CA -1.299 56.406 58.100 -0.659 0.000 1.276 325 Y CB -1.857 36.160 38.460 -0.740 0.000 1.087 325 Y HN -0.115 nan 8.280 nan 0.000 0.519 326 T N 1.464 115.837 114.554 -0.301 0.000 2.832 326 T HA 0.038 4.388 4.350 0.001 0.000 0.296 326 T C -0.817 173.879 174.700 -0.007 0.000 0.968 326 T CA -0.389 61.653 62.100 -0.097 0.000 1.107 326 T CB 0.328 69.096 68.868 -0.167 0.000 0.916 326 T HN 0.351 nan 8.240 nan 0.000 0.517 327 Y N 6.718 126.994 120.300 -0.039 0.000 2.677 327 Y HA 0.153 4.704 4.550 0.001 0.000 0.335 327 Y C -1.792 174.094 175.900 -0.022 0.000 1.162 327 Y CA -1.648 56.436 58.100 -0.026 0.000 1.483 327 Y CB 0.532 38.994 38.460 0.003 0.000 1.209 327 Y HN 0.419 nan 8.280 nan 0.000 0.528 328 P HA 0.191 nan 4.420 nan 0.000 0.281 328 P C -1.093 176.289 177.300 0.136 0.000 1.264 328 P CA -0.369 62.759 63.100 0.046 0.000 0.824 328 P CB 1.876 33.538 31.700 -0.063 0.000 1.092 329 E N 0.348 120.608 120.200 0.101 0.000 2.263 329 E HA 0.166 4.516 4.350 0.001 0.000 0.264 329 E C 1.120 177.750 176.600 0.050 0.000 0.923 329 E CA -0.691 55.769 56.400 0.101 0.000 0.802 329 E CB 1.408 31.163 29.700 0.091 0.000 1.228 329 E HN 0.417 nan 8.360 nan 0.000 0.417 330 E N 0.757 120.984 120.200 0.045 0.000 2.077 330 E HA -0.213 4.137 4.350 0.001 0.000 0.193 330 E C 0.894 177.506 176.600 0.020 0.000 0.989 330 E CA 1.417 57.832 56.400 0.025 0.000 0.800 330 E CB 0.018 29.733 29.700 0.026 0.000 0.746 330 E HN 0.438 nan 8.360 nan 0.000 0.452 331 D N 0.029 120.445 120.400 0.026 0.000 2.403 331 D HA -0.093 4.547 4.640 0.001 0.000 0.227 331 D C 1.342 177.654 176.300 0.019 0.000 0.995 331 D CA 1.107 55.121 54.000 0.023 0.000 0.928 331 D CB -0.098 40.718 40.800 0.027 0.000 0.887 331 D HN 0.364 nan 8.370 nan 0.000 0.529 332 G N -0.648 108.162 108.800 0.017 0.000 2.179 332 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 332 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 332 G C 0.552 175.460 174.900 0.013 0.000 0.990 332 G CA 0.540 45.646 45.100 0.010 0.000 0.646 332 G HN 0.799 nan 8.290 nan 0.000 0.517 333 T N -1.302 113.269 114.554 0.028 0.000 2.891 333 T HA 0.801 5.151 4.350 0.001 0.000 0.294 333 T C 0.428 175.160 174.700 0.052 0.000 1.065 333 T CA 0.750 62.871 62.100 0.036 0.000 0.936 333 T CB 1.784 70.680 68.868 0.048 0.000 1.415 333 T HN 1.409 nan 8.240 nan 0.000 0.572 334 T N -2.276 112.324 114.554 0.077 0.000 2.841 334 T HA 0.526 4.877 4.350 0.001 0.000 0.296 334 T C -0.494 174.280 174.700 0.123 0.000 1.166 334 T CA -1.213 60.945 62.100 0.096 0.000 1.007 334 T CB 1.409 70.314 68.868 0.061 0.000 1.253 334 T HN 0.579 nan 8.240 nan 0.000 0.511 335 R N 1.699 122.281 120.500 0.137 0.000 4.496 335 R HA 0.423 4.764 4.340 0.001 0.000 0.211 335 R C 0.222 176.610 176.300 0.147 0.000 1.738 335 R CA -0.351 55.819 56.100 0.117 0.000 1.528 335 R CB -0.279 30.050 30.300 0.049 0.000 1.414 335 R HN 0.791 nan 8.270 nan 0.000 0.812 336 S N 0.440 116.242 115.700 0.170 0.000 2.715 336 S HA 0.831 5.302 4.470 0.001 0.000 0.307 336 S C -0.473 174.299 174.600 0.287 0.000 1.119 336 S CA -0.885 57.386 58.200 0.117 0.000 0.937 336 S CB 1.681 64.882 63.200 0.002 0.000 1.150 336 S HN 0.350 nan 8.310 nan 0.000 0.521 337 F N -1.797 118.189 119.950 0.060 0.000 2.725 337 F HA 0.793 5.321 4.527 0.001 0.000 0.309 337 F C -2.175 173.685 175.800 0.102 0.000 1.132 337 F CA -0.891 57.194 58.000 0.141 0.000 0.957 337 F CB 0.662 39.666 39.000 0.006 0.000 1.286 337 F HN 0.476 nan 8.300 nan 0.000 0.440 338 D N 1.836 122.478 120.400 0.403 0.000 2.527 338 D HA 0.609 5.249 4.640 0.001 0.000 0.233 338 D C -1.713 174.881 176.300 0.490 0.000 1.063 338 D CA -0.309 53.847 54.000 0.260 0.000 0.880 338 D CB 2.627 43.537 40.800 0.184 0.000 1.457 338 D HN 0.733 nan 8.370 nan 0.000 0.475 339 L N 1.853 123.284 121.223 0.348 0.000 2.325 339 L HA 0.518 4.858 4.340 0.001 0.000 0.281 339 L C -1.633 175.325 176.870 0.146 0.000 1.004 339 L CA -0.404 54.572 54.840 0.226 0.000 0.823 339 L CB 0.994 43.153 42.059 0.165 0.000 1.236 339 L HN 0.324 nan 8.230 nan 0.000 0.415 340 L N 5.687 126.976 121.223 0.109 0.000 2.287 340 L HA 0.464 4.805 4.340 0.001 0.000 0.287 340 L C -1.125 175.807 176.870 0.105 0.000 1.022 340 L CA -0.465 54.431 54.840 0.094 0.000 0.814 340 L CB 1.421 43.526 42.059 0.077 0.000 1.217 340 L HN 0.543 nan 8.230 nan 0.000 0.420 341 F N 4.729 124.589 119.950 -0.149 0.000 2.460 341 F HA 0.497 5.025 4.527 0.001 0.000 0.341 341 F C 0.503 176.086 175.800 -0.361 0.000 1.130 341 F CA -1.023 56.744 58.000 -0.389 0.000 0.962 341 F CB 0.625 39.348 39.000 -0.462 0.000 1.171 341 F HN 0.468 nan 8.300 nan 0.000 0.436 342 R N 4.036 124.070 120.500 -0.777 0.000 3.525 342 R HA -0.197 4.144 4.340 0.001 0.000 0.276 342 R C 1.010 177.081 176.300 -0.382 0.000 1.116 342 R CA 0.918 56.599 56.100 -0.699 0.000 0.745 342 R CB -2.303 27.389 30.300 -1.014 0.000 1.185 342 R HN 1.628 nan 8.270 nan 0.000 0.454 343 G N -1.112 107.547 108.800 -0.235 0.000 2.179 343 G HA2 -0.346 3.614 3.960 0.001 0.000 0.260 343 G HA3 -0.346 3.614 3.960 0.001 0.000 0.260 343 G C -0.047 174.785 174.900 -0.113 0.000 0.977 343 G CA 0.386 45.402 45.100 -0.140 0.000 0.641 343 G HN 0.356 nan 8.290 nan 0.000 0.533 344 L N 0.924 122.069 121.223 -0.129 0.000 2.329 344 L HA 0.724 5.064 4.340 0.001 0.000 0.279 344 L C 0.256 177.119 176.870 -0.011 0.000 1.014 344 L CA -1.213 53.581 54.840 -0.078 0.000 0.814 344 L CB 1.559 43.554 42.059 -0.107 0.000 1.257 344 L HN 0.148 nan 8.230 nan 0.000 0.424 345 E N 5.105 125.307 120.200 0.003 0.000 2.217 345 E HA 0.111 4.461 4.350 0.001 0.000 0.279 345 E C 0.237 176.852 176.600 0.025 0.000 1.068 345 E CA 0.116 56.536 56.400 0.034 0.000 0.882 345 E CB 0.516 30.233 29.700 0.029 0.000 1.039 345 E HN 0.720 nan 8.360 nan 0.000 0.418 346 I N 0.933 121.543 120.570 0.067 0.000 4.240 346 I HA 0.301 4.472 4.170 0.001 0.000 0.331 346 I C -0.353 175.813 176.117 0.080 0.000 1.381 346 I CA -0.423 60.915 61.300 0.063 0.000 1.136 346 I CB 0.950 39.017 38.000 0.112 0.000 1.137 346 I HN 0.097 nan 8.210 nan 0.000 0.411 347 T N 0.043 114.654 114.554 0.095 0.000 3.012 347 T HA 0.447 4.798 4.350 0.001 0.000 0.330 347 T C -0.961 173.776 174.700 0.062 0.000 1.321 347 T CA -0.522 61.652 62.100 0.123 0.000 1.067 347 T CB 2.323 71.303 68.868 0.187 0.000 1.235 347 T HN 0.097 nan 8.240 nan 0.000 0.479 348 S N 0.377 116.077 115.700 0.000 0.000 2.536 348 S HA 0.922 5.393 4.470 0.001 0.000 0.271 348 S C -0.424 174.034 174.600 -0.235 0.000 1.134 348 S CA 0.154 58.253 58.200 -0.169 0.000 0.897 348 S CB 1.475 64.600 63.200 -0.126 0.000 1.094 348 S HN 1.350 nan 8.310 nan 0.000 0.473 349 G N 1.076 109.532 108.800 -0.574 0.000 2.428 349 G HA2 0.717 4.678 3.960 0.001 0.000 0.304 349 G HA3 0.717 4.678 3.960 0.001 0.000 0.304 349 G C -0.340 174.199 174.900 -0.602 0.000 1.303 349 G CA 0.120 44.944 45.100 -0.460 0.000 0.825 349 G HN 1.567 nan 8.290 nan 0.000 0.484 350 G N -1.609 107.086 108.800 -0.175 0.000 2.324 350 G HA2 0.521 4.481 3.960 0.001 0.000 0.293 350 G HA3 0.521 4.481 3.960 0.001 0.000 0.293 350 G C -1.315 173.669 174.900 0.140 0.000 1.297 350 G CA -0.088 45.038 45.100 0.045 0.000 0.853 350 G HN 0.709 nan 8.290 nan 0.000 0.535 351 Q N -0.098 119.779 119.800 0.127 0.000 2.299 351 Q HA 0.554 4.895 4.340 0.001 0.000 0.246 351 Q C 0.133 176.196 176.000 0.105 0.000 0.935 351 Q CA -0.653 55.195 55.803 0.076 0.000 0.887 351 Q CB 0.651 29.378 28.738 -0.018 0.000 1.223 351 Q HN 0.491 nan 8.270 nan 0.000 0.439 352 R N 2.490 122.991 120.500 0.002 0.000 2.700 352 R HA 0.493 4.834 4.340 0.001 0.000 0.253 352 R C -0.234 176.125 176.300 0.099 0.000 1.091 352 R CA -0.853 55.271 56.100 0.041 0.000 1.104 352 R CB 0.214 30.489 30.300 -0.042 0.000 1.202 352 R HN 0.647 nan 8.270 nan 0.000 0.532 353 I N 1.906 122.512 120.570 0.061 0.000 2.395 353 I HA 0.075 4.245 4.170 0.001 0.000 0.289 353 I C 1.217 177.397 176.117 0.105 0.000 1.023 353 I CA -0.084 61.195 61.300 -0.034 0.000 1.350 353 I CB 0.695 38.584 38.000 -0.186 0.000 1.409 353 I HN 0.763 nan 8.210 nan 0.000 0.507 354 H N 3.826 123.006 119.070 0.184 0.000 2.874 354 H HA 0.328 4.884 4.556 0.001 0.000 0.264 354 H C 0.061 175.581 175.328 0.321 0.000 1.007 354 H CA -0.538 55.747 56.048 0.396 0.000 1.207 354 H CB 0.263 30.247 29.762 0.369 0.000 1.487 354 H HN 0.238 nan 8.280 nan 0.000 0.505 355 R N 1.170 121.534 120.500 -0.228 0.000 2.221 355 R HA 0.048 4.389 4.340 0.001 0.000 0.327 355 R C 0.044 176.353 176.300 0.015 0.000 1.033 355 R CA -0.518 55.534 56.100 -0.081 0.000 0.887 355 R CB 0.186 30.364 30.300 -0.202 0.000 1.057 355 R HN 0.328 nan 8.270 nan 0.000 0.455 356 Y N 3.373 123.680 120.300 0.012 0.000 2.040 356 Y HA -0.335 4.215 4.550 0.001 0.000 0.275 356 Y C 1.703 177.569 175.900 -0.058 0.000 1.171 356 Y CA 2.070 60.168 58.100 -0.003 0.000 1.123 356 Y CB 0.297 38.762 38.460 0.009 0.000 0.963 356 Y HN 0.522 nan 8.280 nan 0.000 0.493 357 E N 0.429 120.671 120.200 0.069 0.000 2.085 357 E HA -0.232 4.118 4.350 0.001 0.000 0.194 357 E C 2.072 178.584 176.600 -0.147 0.000 0.994 357 E CA 1.805 58.179 56.400 -0.043 0.000 0.801 357 E CB -0.303 29.420 29.700 0.038 0.000 0.743 357 E HN 0.713 nan 8.360 nan 0.000 0.453 358 E N 0.123 120.231 120.200 -0.154 0.000 2.150 358 E HA -0.147 4.204 4.350 0.001 0.000 0.193 358 E C 1.999 178.472 176.600 -0.212 0.000 0.985 358 E CA 0.263 56.547 56.400 -0.194 0.000 0.814 358 E CB 0.009 29.556 29.700 -0.255 0.000 0.752 358 E HN 0.035 nan 8.360 nan 0.000 0.466 359 L N 0.503 121.580 121.223 -0.244 0.000 2.056 359 L HA -0.144 4.197 4.340 0.001 0.000 0.207 359 L C 2.061 178.783 176.870 -0.247 0.000 1.078 359 L CA 1.329 56.035 54.840 -0.222 0.000 0.749 359 L CB -0.564 41.309 42.059 -0.310 0.000 0.901 359 L HN 0.138 nan 8.230 nan 0.000 0.433 360 L N -0.698 120.317 121.223 -0.346 0.000 2.017 360 L HA -0.210 4.130 4.340 0.001 0.000 0.208 360 L C 2.558 179.297 176.870 -0.218 0.000 1.073 360 L CA 1.520 56.170 54.840 -0.315 0.000 0.745 360 L CB -0.705 41.159 42.059 -0.325 0.000 0.894 360 L HN 0.248 nan 8.230 nan 0.000 0.432 361 E N -1.261 118.831 120.200 -0.181 0.000 2.118 361 E HA -0.201 4.149 4.350 0.001 0.000 0.195 361 E C 2.494 179.011 176.600 -0.137 0.000 0.992 361 E CA 1.385 57.703 56.400 -0.138 0.000 0.804 361 E CB -0.221 29.407 29.700 -0.121 0.000 0.741 361 E HN 0.341 nan 8.360 nan 0.000 0.458 362 S N -0.892 114.723 115.700 -0.142 0.000 2.368 362 S HA -0.072 4.399 4.470 0.001 0.000 0.224 362 S C 1.859 176.372 174.600 -0.144 0.000 1.029 362 S CA 0.945 59.080 58.200 -0.109 0.000 0.988 362 S CB -0.257 62.912 63.200 -0.052 0.000 0.838 362 S HN 0.265 nan 8.310 nan 0.000 0.462 363 L N 0.978 122.051 121.223 -0.250 0.000 2.012 363 L HA -0.158 4.183 4.340 0.001 0.000 0.210 363 L C 2.632 179.340 176.870 -0.271 0.000 1.073 363 L CA 1.637 56.216 54.840 -0.436 0.000 0.748 363 L CB -0.454 41.241 42.059 -0.607 0.000 0.891 363 L HN 0.272 nan 8.230 nan 0.000 0.431 364 K N -0.136 120.145 120.400 -0.197 0.000 2.057 364 K HA -0.143 4.177 4.320 0.001 0.000 0.207 364 K C 2.191 178.727 176.600 -0.106 0.000 1.049 364 K CA 1.340 57.548 56.287 -0.132 0.000 0.931 364 K CB -0.351 32.086 32.500 -0.106 0.000 0.714 364 K HN 0.294 nan 8.250 nan 0.000 0.440 365 A N 1.639 124.396 122.820 -0.104 0.000 2.024 365 A HA -0.181 4.139 4.320 0.001 0.000 0.220 365 A C 1.643 179.182 177.584 -0.075 0.000 1.164 365 A CA 1.504 53.493 52.037 -0.080 0.000 0.643 365 A CB -0.200 18.754 19.000 -0.076 0.000 0.806 365 A HN 0.197 nan 8.150 nan 0.000 0.451 366 K N -1.533 118.810 120.400 -0.095 0.000 2.387 366 K HA 0.272 4.593 4.320 0.001 0.000 0.198 366 K C 0.830 177.381 176.600 -0.080 0.000 1.022 366 K CA 0.405 56.643 56.287 -0.082 0.000 1.128 366 K CB 0.088 32.535 32.500 -0.089 0.000 0.853 366 K HN 0.596 nan 8.250 nan 0.000 0.523 367 G N 2.058 110.807 108.800 -0.085 0.000 2.198 367 G HA2 -0.295 3.666 3.960 0.001 0.000 0.257 367 G HA3 -0.295 3.666 3.960 0.001 0.000 0.257 367 G C -0.028 174.826 174.900 -0.076 0.000 1.042 367 G CA 0.181 45.240 45.100 -0.068 0.000 0.791 367 G HN 0.176 nan 8.290 nan 0.000 0.502 368 M N -0.044 119.478 119.600 -0.130 0.000 2.409 368 M HA 0.408 4.888 4.480 0.001 0.000 0.329 368 M C -0.051 176.181 176.300 -0.114 0.000 1.180 368 M CA -0.670 54.544 55.300 -0.145 0.000 1.053 368 M CB 1.102 33.495 32.600 -0.347 0.000 1.586 368 M HN 0.140 nan 8.290 nan 0.000 0.461 369 D N 2.344 122.743 120.400 -0.001 0.000 2.317 369 D HA 0.280 4.921 4.640 0.001 0.000 0.234 369 D C -2.030 174.328 176.300 0.096 0.000 1.112 369 D CA -1.991 52.028 54.000 0.031 0.000 0.840 369 D CB 1.448 42.278 40.800 0.051 0.000 1.078 369 D HN 0.146 nan 8.370 nan 0.000 0.486 370 P HA -0.141 nan 4.420 nan 0.000 0.215 370 P C 1.002 178.399 177.300 0.162 0.000 1.153 370 P CA 0.862 63.988 63.100 0.044 0.000 0.853 370 P CB 0.302 31.987 31.700 -0.025 0.000 0.788 371 E N -0.285 119.990 120.200 0.125 0.000 2.130 371 E HA -0.189 4.162 4.350 0.001 0.000 0.196 371 E C 1.954 178.632 176.600 0.131 0.000 0.998 371 E CA 1.607 58.085 56.400 0.129 0.000 0.806 371 E CB -0.875 28.867 29.700 0.070 0.000 0.738 371 E HN 0.236 nan 8.360 nan 0.000 0.459 372 A N -0.236 122.652 122.820 0.113 0.000 2.119 372 A HA -0.030 4.291 4.320 0.001 0.000 0.216 372 A C 1.242 178.738 177.584 -0.147 0.000 1.152 372 A CA 0.447 52.470 52.037 -0.023 0.000 0.708 372 A CB -0.281 18.664 19.000 -0.092 0.000 0.805 372 A HN 0.111 nan 8.150 nan 0.000 0.460 373 F N -1.555 118.418 119.950 0.039 0.000 2.708 373 F HA 0.198 4.726 4.527 0.001 0.000 0.300 373 F C 1.650 177.559 175.800 0.181 0.000 1.118 373 F CA -0.492 57.560 58.000 0.088 0.000 1.307 373 F CB -0.183 38.805 39.000 -0.020 0.000 0.986 373 F HN 0.389 nan 8.300 nan 0.000 0.522 374 H N 0.340 119.538 119.070 0.213 0.000 2.387 374 H HA -0.128 4.429 4.556 0.001 0.000 0.299 374 H C 2.221 177.674 175.328 0.209 0.000 1.099 374 H CA 1.839 58.007 56.048 0.201 0.000 1.315 374 H CB -0.096 29.745 29.762 0.132 0.000 1.380 374 H HN 0.419 nan 8.280 nan 0.000 0.513 375 G N -0.702 108.269 108.800 0.286 0.000 2.408 375 G HA2 -0.306 3.655 3.960 0.001 0.000 0.217 375 G HA3 -0.306 3.655 3.960 0.001 0.000 0.217 375 G C 1.698 176.728 174.900 0.216 0.000 1.150 375 G CA 0.717 45.949 45.100 0.220 0.000 0.776 375 G HN 0.533 nan 8.290 nan 0.000 0.542 376 Y N 0.982 121.396 120.300 0.191 0.000 2.263 376 Y HA 0.131 4.682 4.550 0.001 0.000 0.292 376 Y C 2.411 178.543 175.900 0.387 0.000 1.130 376 Y CA 0.990 59.258 58.100 0.280 0.000 1.179 376 Y CB -0.082 38.621 38.460 0.405 0.000 0.998 376 Y HN 0.092 nan 8.280 nan 0.000 0.532 377 L N -0.159 121.242 121.223 0.296 0.000 2.217 377 L HA -0.122 4.218 4.340 0.001 0.000 0.211 377 L C 2.407 179.482 176.870 0.342 0.000 1.107 377 L CA 0.715 55.728 54.840 0.288 0.000 0.783 377 L CB -0.500 41.685 42.059 0.210 0.000 0.919 377 L HN 0.146 nan 8.230 nan 0.000 0.442 378 E N 0.178 120.456 120.200 0.130 0.000 2.048 378 E HA -0.289 4.061 4.350 0.001 0.000 0.202 378 E C 2.278 178.958 176.600 0.133 0.000 1.021 378 E CA 1.650 58.100 56.400 0.083 0.000 0.825 378 E CB -0.672 29.069 29.700 0.069 0.000 0.756 378 E HN 0.289 nan 8.360 nan 0.000 0.454 379 V N 0.467 120.395 119.914 0.023 0.000 2.688 379 V HA -0.221 3.899 4.120 0.001 0.000 0.256 379 V C 1.673 177.644 176.094 -0.205 0.000 1.084 379 V CA 1.366 63.605 62.300 -0.102 0.000 1.103 379 V CB -0.519 31.070 31.823 -0.389 0.000 0.688 379 V HN 0.159 nan 8.190 nan 0.000 0.480 380 F N 0.214 120.178 119.950 0.024 0.000 2.802 380 F HA 0.111 4.639 4.527 0.001 0.000 0.300 380 F C 2.022 177.831 175.800 0.015 0.000 1.168 380 F CA 0.697 58.733 58.000 0.061 0.000 1.433 380 F CB -0.266 38.796 39.000 0.103 0.000 1.115 380 F HN 0.148 nan 8.300 nan 0.000 0.582 381 K N -0.942 119.407 120.400 -0.085 0.000 2.404 381 K HA 0.044 4.364 4.320 0.001 0.000 0.194 381 K C -0.392 175.804 176.600 -0.673 0.000 1.023 381 K CA 0.345 56.342 56.287 -0.485 0.000 1.094 381 K CB 0.092 32.119 32.500 -0.788 0.000 0.841 381 K HN 0.238 nan 8.250 nan 0.000 0.523 382 Y N 0.721 120.984 120.300 -0.062 0.000 2.724 382 Y HA 0.253 4.803 4.550 0.001 0.000 0.370 382 Y C 0.752 176.616 175.900 -0.061 0.000 0.978 382 Y CA -0.984 57.073 58.100 -0.071 0.000 1.443 382 Y CB 0.627 39.027 38.460 -0.100 0.000 1.386 382 Y HN 0.129 nan 8.280 nan 0.000 0.557 383 G N 1.380 110.207 108.800 0.046 0.000 2.393 383 G HA2 -0.292 3.669 3.960 0.001 0.000 0.299 383 G HA3 -0.292 3.669 3.960 0.001 0.000 0.299 383 G C 0.195 175.108 174.900 0.022 0.000 0.990 383 G CA -0.259 44.876 45.100 0.059 0.000 1.118 383 G HN 0.252 nan 8.290 nan 0.000 0.513 384 M N 1.108 120.719 119.600 0.019 0.000 2.239 384 M HA 0.188 4.669 4.480 0.001 0.000 0.348 384 M C -1.154 175.127 176.300 -0.033 0.000 1.239 384 M CA -1.361 53.893 55.300 -0.076 0.000 1.114 384 M CB 0.290 32.823 32.600 -0.111 0.000 1.641 384 M HN 0.272 nan 8.290 nan 0.000 0.453 385 P HA 0.381 nan 4.420 nan 0.000 0.278 385 P C -2.805 174.271 177.300 -0.373 0.000 1.266 385 P CA -1.728 61.095 63.100 -0.460 0.000 0.807 385 P CB -0.413 30.604 31.700 -1.139 0.000 1.094 386 P HA 0.061 nan 4.420 nan 0.000 0.262 386 P C -0.626 176.604 177.300 -0.116 0.000 1.182 386 P CA 0.983 63.778 63.100 -0.508 0.000 0.761 386 P CB -0.305 31.184 31.700 -0.352 0.000 0.795 387 H N 0.591 119.627 119.070 -0.056 0.000 3.014 387 H HA 0.857 5.414 4.556 0.001 0.000 0.337 387 H C -0.668 174.715 175.328 0.091 0.000 1.320 387 H CA -1.206 54.838 56.048 -0.007 0.000 1.128 387 H CB 1.002 30.743 29.762 -0.035 0.000 1.862 387 H HN 0.580 nan 8.280 nan 0.000 0.536 388 G N -1.202 107.687 108.800 0.149 0.000 2.606 388 G HA2 0.646 4.606 3.960 0.001 0.000 0.300 388 G HA3 0.646 4.606 3.960 0.001 0.000 0.300 388 G C -1.036 173.990 174.900 0.209 0.000 1.360 388 G CA -0.463 44.722 45.100 0.141 0.000 0.783 388 G HN 1.218 nan 8.290 nan 0.000 0.484 389 G N -1.837 107.094 108.800 0.219 0.000 2.488 389 G HA2 0.856 4.816 3.960 0.001 0.000 0.301 389 G HA3 0.856 4.816 3.960 0.001 0.000 0.301 389 G C -1.427 173.621 174.900 0.247 0.000 1.339 389 G CA 0.176 45.373 45.100 0.161 0.000 0.803 389 G HN 1.792 nan 8.290 nan 0.000 0.482 390 F N -2.405 117.636 119.950 0.151 0.000 2.741 390 F HA 0.920 5.447 4.527 0.001 0.000 0.313 390 F C -0.470 175.407 175.800 0.128 0.000 1.153 390 F CA -1.300 56.751 58.000 0.084 0.000 0.931 390 F CB 1.322 40.404 39.000 0.136 0.000 1.335 390 F HN 1.234 nan 8.300 nan 0.000 0.460 391 A N 1.444 124.482 122.820 0.363 0.000 2.414 391 A HA 0.849 5.169 4.320 0.001 0.000 0.306 391 A C -1.482 176.279 177.584 0.296 0.000 1.054 391 A CA -0.787 51.407 52.037 0.261 0.000 0.724 391 A CB 1.259 20.366 19.000 0.177 0.000 1.267 391 A HN 0.778 nan 8.150 nan 0.000 0.418 392 I N 1.606 122.310 120.570 0.223 0.000 2.441 392 I HA 0.444 4.615 4.170 0.001 0.000 0.295 392 I C 0.866 177.027 176.117 0.075 0.000 0.994 392 I CA -0.655 60.734 61.300 0.148 0.000 1.144 392 I CB 2.161 40.227 38.000 0.110 0.000 1.314 392 I HN 0.770 nan 8.210 nan 0.000 0.445 393 G N 4.042 112.867 108.800 0.042 0.000 2.530 393 G HA2 0.385 4.345 3.960 0.001 0.000 0.313 393 G HA3 0.385 4.345 3.960 0.001 0.000 0.313 393 G C 0.888 175.793 174.900 0.009 0.000 0.971 393 G CA 0.056 45.154 45.100 -0.004 0.000 1.237 393 G HN 0.880 nan 8.290 nan 0.000 0.446 394 A N 3.125 125.959 122.820 0.024 0.000 1.884 394 A HA -0.162 4.158 4.320 0.001 0.000 0.219 394 A C 2.078 179.676 177.584 0.024 0.000 1.197 394 A CA 2.091 54.129 52.037 0.002 0.000 0.637 394 A CB -0.330 18.664 19.000 -0.010 0.000 0.827 394 A HN 0.591 nan 8.150 nan 0.000 0.450 395 E N -0.764 119.461 120.200 0.043 0.000 2.110 395 E HA -0.172 4.179 4.350 0.001 0.000 0.193 395 E C 2.312 178.926 176.600 0.024 0.000 0.988 395 E CA 1.326 57.750 56.400 0.041 0.000 0.804 395 E CB -0.157 29.579 29.700 0.061 0.000 0.745 395 E HN 0.572 nan 8.360 nan 0.000 0.458 396 R N 0.107 120.606 120.500 -0.001 0.000 2.081 396 R HA -0.122 4.218 4.340 0.001 0.000 0.235 396 R C 2.376 178.704 176.300 0.047 0.000 1.131 396 R CA 0.920 57.018 56.100 -0.003 0.000 0.960 396 R CB -0.378 29.902 30.300 -0.035 0.000 0.856 396 R HN 0.131 nan 8.270 nan 0.000 0.436 397 L N 0.769 122.032 121.223 0.066 0.000 1.989 397 L HA -0.174 4.167 4.340 0.001 0.000 0.211 397 L C 1.854 178.789 176.870 0.109 0.000 1.071 397 L CA 2.065 56.971 54.840 0.110 0.000 0.749 397 L CB -0.955 41.123 42.059 0.032 0.000 0.890 397 L HN 0.080 nan 8.230 nan 0.000 0.431 398 T N -0.459 114.132 114.554 0.062 0.000 2.684 398 T HA -0.279 4.072 4.350 0.001 0.000 0.267 398 T C 1.748 176.480 174.700 0.054 0.000 1.036 398 T CA 1.766 63.903 62.100 0.062 0.000 1.148 398 T CB -0.316 68.585 68.868 0.054 0.000 0.863 398 T HN 0.517 nan 8.240 nan 0.000 0.436 399 Q N 0.572 120.393 119.800 0.034 0.000 2.014 399 Q HA -0.214 4.126 4.340 0.001 0.000 0.207 399 Q C 2.159 178.130 176.000 -0.048 0.000 0.993 399 Q CA 1.463 57.263 55.803 -0.006 0.000 0.850 399 Q CB -0.027 28.699 28.738 -0.020 0.000 0.916 399 Q HN 0.241 nan 8.270 nan 0.000 0.417 400 K N 0.394 120.760 120.400 -0.056 0.000 2.217 400 K HA -0.107 4.214 4.320 0.001 0.000 0.202 400 K C 2.080 178.579 176.600 -0.169 0.000 1.051 400 K CA 0.437 56.596 56.287 -0.212 0.000 0.952 400 K CB -0.367 31.889 32.500 -0.406 0.000 0.736 400 K HN 0.235 nan 8.250 nan 0.000 0.453 401 L N 0.753 122.038 121.223 0.104 0.000 2.056 401 L HA -0.059 4.281 4.340 0.001 0.000 0.207 401 L C 1.659 178.539 176.870 0.016 0.000 1.078 401 L CA 1.548 56.443 54.840 0.092 0.000 0.749 401 L CB -0.164 41.918 42.059 0.038 0.000 0.901 401 L HN 0.028 nan 8.230 nan 0.000 0.433 402 L N -0.314 120.930 121.223 0.036 0.000 2.653 402 L HA 0.328 4.669 4.340 0.001 0.000 0.231 402 L C 1.181 178.049 176.870 -0.004 0.000 1.153 402 L CA 0.293 55.166 54.840 0.056 0.000 0.933 402 L CB -0.741 41.365 42.059 0.078 0.000 1.175 402 L HN 0.454 nan 8.230 nan 0.000 0.473 403 G N 1.418 110.181 108.800 -0.063 0.000 2.323 403 G HA2 -0.283 3.678 3.960 0.001 0.000 0.292 403 G HA3 -0.283 3.678 3.960 0.001 0.000 0.292 403 G C 0.110 174.939 174.900 -0.118 0.000 1.040 403 G CA 0.023 45.061 45.100 -0.103 0.000 0.942 403 G HN 0.288 nan 8.290 nan 0.000 0.506 404 L N -0.887 120.261 121.223 -0.124 0.000 2.371 404 L HA 0.255 4.596 4.340 0.001 0.000 0.272 404 L C -0.362 176.336 176.870 -0.287 0.000 1.124 404 L CA -2.079 52.640 54.840 -0.203 0.000 0.816 404 L CB 0.900 42.887 42.059 -0.120 0.000 1.129 404 L HN -0.044 nan 8.230 nan 0.000 0.448 405 P HA -0.144 nan 4.420 nan 0.000 0.214 405 P C -0.128 177.002 177.300 -0.284 0.000 1.163 405 P CA 1.371 64.232 63.100 -0.398 0.000 0.889 405 P CB 0.226 31.588 31.700 -0.564 0.000 0.790 406 N N -2.639 115.874 118.700 -0.312 0.000 2.509 406 N HA 0.170 4.910 4.740 0.001 0.000 0.280 406 N C 0.269 175.794 175.510 0.024 0.000 1.306 406 N CA -0.510 52.500 53.050 -0.067 0.000 0.782 406 N CB 1.803 40.328 38.487 0.064 0.000 1.493 406 N HN -0.322 nan 8.380 nan 0.000 0.498 407 V N 2.299 122.240 119.914 0.044 0.000 2.970 407 V HA -0.019 4.102 4.120 0.001 0.000 0.260 407 V C 1.978 178.137 176.094 0.108 0.000 1.100 407 V CA 1.441 63.775 62.300 0.057 0.000 1.122 407 V CB -0.627 31.213 31.823 0.029 0.000 0.721 407 V HN 0.605 nan 8.190 nan 0.000 0.483 408 R N -1.328 119.264 120.500 0.154 0.000 2.189 408 R HA -0.113 4.227 4.340 0.001 0.000 0.223 408 R C 2.025 178.399 176.300 0.124 0.000 1.092 408 R CA 1.634 57.815 56.100 0.134 0.000 0.989 408 R CB -0.368 30.011 30.300 0.132 0.000 0.876 408 R HN 0.555 nan 8.270 nan 0.000 0.457 409 Y N 0.288 120.576 120.300 -0.021 0.000 2.373 409 Y HA -0.018 4.533 4.550 0.001 0.000 0.293 409 Y C 2.119 177.996 175.900 -0.038 0.000 1.129 409 Y CA 0.757 58.836 58.100 -0.035 0.000 1.226 409 Y CB -0.057 38.386 38.460 -0.028 0.000 1.000 409 Y HN 0.044 nan 8.280 nan 0.000 0.549 410 A N -0.096 122.803 122.820 0.131 0.000 2.327 410 A HA 0.205 4.525 4.320 0.001 0.000 0.228 410 A C 0.772 178.371 177.584 0.025 0.000 1.275 410 A CA -0.110 51.967 52.037 0.066 0.000 0.875 410 A CB -0.429 18.609 19.000 0.064 0.000 0.925 410 A HN 0.241 nan 8.150 nan 0.000 0.493 411 R N -1.394 119.104 120.500 -0.004 0.000 2.628 411 R HA 0.604 4.944 4.340 0.001 0.000 0.288 411 R C 0.914 177.120 176.300 -0.155 0.000 0.980 411 R CA 0.167 56.244 56.100 -0.038 0.000 0.891 411 R CB 1.305 31.616 30.300 0.018 0.000 1.188 411 R HN 0.059 nan 8.270 nan 0.000 0.450 412 A N 4.091 126.756 122.820 -0.259 0.000 1.841 412 A HA -0.018 4.303 4.320 0.001 0.000 0.216 412 A C 0.047 177.132 177.584 -0.831 0.000 1.199 412 A CA 1.097 52.743 52.037 -0.653 0.000 0.621 412 A CB -0.277 18.196 19.000 -0.878 0.000 0.835 412 A HN 0.517 nan 8.150 nan 0.000 0.445 413 F N 0.496 120.450 119.950 0.007 0.000 2.451 413 F HA 0.461 4.989 4.527 0.001 0.000 0.367 413 F C -2.222 173.598 175.800 0.032 0.000 1.100 413 F CA -2.630 55.380 58.000 0.016 0.000 1.171 413 F CB 0.142 39.161 39.000 0.031 0.000 1.405 413 F HN 0.022 nan 8.300 nan 0.000 0.482 414 P HA 0.000 nan 4.420 nan 0.000 0.216 414 P CA 0.000 63.169 63.100 0.115 0.000 0.800 414 P CB 0.000 31.747 31.700 0.078 0.000 0.726