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 2ol2_1_B DATA FIRST_RESID 27 DATA SEQUENCE RDFTFDLYRA LASAAPSQNI FFSPVSISMS LAMLSLGAGS STKMQILEGL DATA SEQUENCE GLNLQKSSEK ELHRGFQQLL QELNQPRDGF QLSLGNALFT DLVVDLQDTF DATA SEQUENCE VSAMKTLYLA DTFPTNFRDS AGAMKQINDY VAKQTKGKIV DLLKNLDSNA DATA SEQUENCE VVIMVNYIFF KAKWETSFNH KGTQEQDFYV TSETVVRVPM MSREDQYHYL DATA SEQUENCE LDRNLSCRVV GVPYQGNATA LFILPSEGKM QQVENGLSEK TLRKWLKMFK DATA SEQUENCE KRQLELYLPK FSIEGSYQLE KVLPSLGISN VFTSHADLSG ISNHSNIQVS DATA SEQUENCE EMVHKAVVEV DESGTXXXXX XXXXXXXXXX XXXSQRLVFN RPFLMFIVDN DATA SEQUENCE NILFLGKVNR P 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 27 R HA 0.000 nan 4.340 nan 0.000 0.208 27 R C 0.000 176.413 176.300 0.189 0.000 0.893 27 R CA 0.000 56.183 56.100 0.138 0.000 0.921 27 R CB 0.000 30.378 30.300 0.130 0.000 0.687 28 D N -0.232 120.308 120.400 0.233 0.000 2.945 28 D HA -0.244 4.395 4.640 -0.002 0.000 0.225 28 D C 0.235 176.683 176.300 0.248 0.000 1.158 28 D CA 1.265 55.454 54.000 0.314 0.000 0.805 28 D CB -1.476 39.469 40.800 0.241 0.000 1.098 28 D HN 0.423 nan 8.370 nan 0.000 0.426 29 F N 0.540 120.535 119.950 0.074 0.000 2.186 29 F HA -0.150 4.376 4.527 -0.002 0.000 0.299 29 F C 2.279 178.076 175.800 -0.005 0.000 1.090 29 F CA 1.819 59.836 58.000 0.029 0.000 1.307 29 F CB -0.048 38.957 39.000 0.008 0.000 1.019 29 F HN -0.004 nan 8.300 nan 0.000 0.489 30 T N 0.724 115.286 114.554 0.013 0.000 2.684 30 T HA -0.203 4.146 4.350 -0.002 0.000 0.267 30 T C 1.626 176.177 174.700 -0.249 0.000 1.036 30 T CA 2.067 64.052 62.100 -0.192 0.000 1.148 30 T CB -0.582 68.011 68.868 -0.458 0.000 0.863 30 T HN 0.219 nan 8.240 nan 0.000 0.436 31 F N 1.429 121.437 119.950 0.098 0.000 2.325 31 F HA 0.061 4.587 4.527 -0.002 0.000 0.299 31 F C 2.254 178.104 175.800 0.083 0.000 1.090 31 F CA 0.369 58.444 58.000 0.126 0.000 1.392 31 F CB -0.501 38.551 39.000 0.087 0.000 1.053 31 F HN 0.074 nan 8.300 nan 0.000 0.521 32 D N 0.025 120.480 120.400 0.092 0.000 2.144 32 D HA -0.108 4.531 4.640 -0.002 0.000 0.200 32 D C 2.272 178.463 176.300 -0.181 0.000 0.978 32 D CA 0.746 54.727 54.000 -0.031 0.000 0.833 32 D CB -0.378 40.371 40.800 -0.084 0.000 0.961 32 D HN 0.178 nan 8.370 nan 0.000 0.470 33 L N -0.113 120.896 121.223 -0.357 0.000 2.109 33 L HA -0.117 4.222 4.340 -0.002 0.000 0.207 33 L C 2.140 178.773 176.870 -0.394 0.000 1.086 33 L CA 1.394 55.928 54.840 -0.510 0.000 0.760 33 L CB -0.840 40.770 42.059 -0.750 0.000 0.910 33 L HN 0.023 nan 8.230 nan 0.000 0.437 34 Y N 0.666 120.852 120.300 -0.190 0.000 2.128 34 Y HA -0.273 4.276 4.550 -0.002 0.000 0.284 34 Y C 2.609 178.485 175.900 -0.042 0.000 1.154 34 Y CA 2.109 60.205 58.100 -0.006 0.000 1.149 34 Y CB -0.226 38.360 38.460 0.209 0.000 0.976 34 Y HN 0.160 nan 8.280 nan 0.000 0.505 35 R N 0.063 120.478 120.500 -0.141 0.000 2.075 35 R HA -0.104 4.235 4.340 -0.002 0.000 0.232 35 R C 2.571 178.727 176.300 -0.240 0.000 1.126 35 R CA 1.115 57.106 56.100 -0.182 0.000 0.963 35 R CB -0.702 29.616 30.300 0.030 0.000 0.858 35 R HN 0.451 nan 8.270 nan 0.000 0.435 36 A N 1.478 124.161 122.820 -0.229 0.000 1.902 36 A HA -0.130 4.189 4.320 -0.002 0.000 0.217 36 A C 2.201 179.629 177.584 -0.260 0.000 1.181 36 A CA 1.180 53.088 52.037 -0.215 0.000 0.623 36 A CB -0.555 18.310 19.000 -0.225 0.000 0.818 36 A HN 0.172 nan 8.150 nan 0.000 0.443 37 L N -0.963 120.030 121.223 -0.383 0.000 2.046 37 L HA -0.195 4.143 4.340 -0.002 0.000 0.208 37 L C 3.062 179.766 176.870 -0.277 0.000 1.077 37 L CA 1.105 55.708 54.840 -0.395 0.000 0.747 37 L CB -0.507 41.171 42.059 -0.635 0.000 0.896 37 L HN 0.456 nan 8.230 nan 0.000 0.432 38 A N -0.945 121.651 122.820 -0.373 0.000 1.968 38 A HA -0.129 4.190 4.320 -0.002 0.000 0.217 38 A C 2.488 179.991 177.584 -0.134 0.000 1.169 38 A CA 1.656 53.534 52.037 -0.264 0.000 0.638 38 A CB -0.400 18.357 19.000 -0.405 0.000 0.812 38 A HN 0.346 nan 8.150 nan 0.000 0.446 39 S N 0.128 115.747 115.700 -0.135 0.000 2.368 39 S HA -0.048 4.420 4.470 -0.002 0.000 0.225 39 S C 2.267 176.834 174.600 -0.055 0.000 1.030 39 S CA 1.156 59.311 58.200 -0.074 0.000 0.999 39 S CB -0.432 62.725 63.200 -0.071 0.000 0.844 39 S HN 0.784 nan 8.310 nan 0.000 0.459 40 A N 0.555 123.334 122.820 -0.068 0.000 2.070 40 A HA 0.385 4.704 4.320 -0.002 0.000 0.220 40 A C 1.305 178.881 177.584 -0.014 0.000 1.159 40 A CA 1.319 53.332 52.037 -0.041 0.000 0.656 40 A CB -0.265 18.706 19.000 -0.049 0.000 0.800 40 A HN 0.518 nan 8.150 nan 0.000 0.453 41 A N -0.372 122.442 122.820 -0.010 0.000 3.410 41 A HA 0.586 4.905 4.320 -0.002 0.000 0.276 41 A C -2.888 174.706 177.584 0.018 0.000 0.995 41 A CA -1.201 50.847 52.037 0.018 0.000 0.934 41 A CB 0.114 19.146 19.000 0.054 0.000 1.191 41 A HN 0.155 nan 8.150 nan 0.000 0.511 42 P HA 0.307 nan 4.420 nan 0.000 0.266 42 P C 0.960 178.282 177.300 0.038 0.000 1.193 42 P CA 1.868 64.981 63.100 0.021 0.000 0.770 42 P CB 0.568 32.279 31.700 0.018 0.000 0.836 43 S N -0.383 115.348 115.700 0.053 0.000 3.682 43 S HA -0.249 4.219 4.470 -0.002 0.000 0.354 43 S C 0.231 174.869 174.600 0.063 0.000 1.034 43 S CA 1.429 59.667 58.200 0.063 0.000 1.084 43 S CB -2.306 60.927 63.200 0.055 0.000 0.903 43 S HN 0.704 nan 8.310 nan 0.000 0.470 44 Q N -0.266 119.575 119.800 0.068 0.000 2.418 44 Q HA 0.566 4.905 4.340 -0.002 0.000 0.282 44 Q C -1.045 175.011 176.000 0.093 0.000 1.044 44 Q CA -0.976 54.868 55.803 0.069 0.000 0.813 44 Q CB 0.795 29.571 28.738 0.063 0.000 1.428 44 Q HN 0.383 nan 8.270 nan 0.000 0.402 45 N N 2.038 120.791 118.700 0.088 0.000 2.407 45 N HA 0.161 4.900 4.740 -0.002 0.000 0.250 45 N C -0.825 174.813 175.510 0.214 0.000 1.236 45 N CA 0.596 53.717 53.050 0.119 0.000 0.879 45 N CB 0.369 38.902 38.487 0.077 0.000 1.088 45 N HN 0.415 nan 8.380 nan 0.000 0.450 46 I N 2.360 123.110 120.570 0.299 0.000 2.499 46 I HA 0.411 4.579 4.170 -0.002 0.000 0.288 46 I C -0.874 175.598 176.117 0.593 0.000 1.048 46 I CA -0.516 61.036 61.300 0.420 0.000 1.062 46 I CB 0.796 38.976 38.000 0.299 0.000 1.238 46 I HN 0.336 nan 8.210 nan 0.000 0.426 47 F N 8.730 128.988 119.950 0.513 0.000 2.630 47 F HA 0.657 5.183 4.527 -0.002 0.000 0.325 47 F C -1.355 174.857 175.800 0.687 0.000 1.184 47 F CA -0.826 57.448 58.000 0.457 0.000 1.011 47 F CB 1.441 40.618 39.000 0.295 0.000 1.268 47 F HN 0.342 nan 8.300 nan 0.000 0.480 48 F N 2.017 121.887 119.950 -0.133 0.000 2.741 48 F HA 0.675 5.201 4.527 -0.002 0.000 0.313 48 F C -1.480 174.272 175.800 -0.081 0.000 1.153 48 F CA -1.373 56.714 58.000 0.145 0.000 0.931 48 F CB 1.222 40.319 39.000 0.161 0.000 1.335 48 F HN 0.255 nan 8.300 nan 0.000 0.460 49 S N 2.126 117.919 115.700 0.156 0.000 2.474 49 S HA 0.512 4.981 4.470 -0.002 0.000 0.320 49 S C -2.181 172.319 174.600 -0.166 0.000 1.067 49 S CA -1.512 56.503 58.200 -0.307 0.000 1.127 49 S CB 0.842 63.844 63.200 -0.330 0.000 0.971 49 S HN 0.501 nan 8.310 nan 0.000 0.472 50 P HA -0.113 nan 4.420 nan 0.000 0.214 50 P C 1.609 178.873 177.300 -0.060 0.000 1.163 50 P CA 0.575 63.629 63.100 -0.077 0.000 0.883 50 P CB 0.071 31.650 31.700 -0.202 0.000 0.788 51 V N -0.377 119.469 119.914 -0.114 0.000 2.568 51 V HA -0.230 3.889 4.120 -0.002 0.000 0.253 51 V C 2.458 178.515 176.094 -0.061 0.000 1.072 51 V CA 2.538 64.814 62.300 -0.041 0.000 1.084 51 V CB -1.165 30.634 31.823 -0.039 0.000 0.676 51 V HN 0.188 nan 8.190 nan 0.000 0.469 52 S N -0.878 114.765 115.700 -0.096 0.000 2.387 52 S HA -0.058 4.411 4.470 -0.002 0.000 0.226 52 S C 1.856 176.412 174.600 -0.073 0.000 1.026 52 S CA 1.462 59.625 58.200 -0.062 0.000 0.972 52 S CB -0.327 62.876 63.200 0.004 0.000 0.814 52 S HN 0.606 nan 8.310 nan 0.000 0.477 53 I N 1.112 121.630 120.570 -0.086 0.000 2.252 53 I HA -0.111 4.058 4.170 -0.002 0.000 0.245 53 I C 2.570 178.621 176.117 -0.110 0.000 1.102 53 I CA 1.007 62.244 61.300 -0.104 0.000 1.385 53 I CB -0.386 37.549 38.000 -0.108 0.000 1.064 53 I HN 0.301 nan 8.210 nan 0.000 0.414 54 S N 0.618 116.252 115.700 -0.110 0.000 2.356 54 S HA -0.247 4.222 4.470 -0.002 0.000 0.223 54 S C 2.012 176.325 174.600 -0.477 0.000 1.032 54 S CA 1.643 59.730 58.200 -0.187 0.000 1.005 54 S CB -0.333 62.849 63.200 -0.030 0.000 0.867 54 S HN 0.416 nan 8.310 nan 0.000 0.449 55 M N 1.092 120.342 119.600 -0.584 0.000 2.108 55 M HA -0.128 4.351 4.480 -0.002 0.000 0.261 55 M C 2.273 178.280 176.300 -0.487 0.000 1.066 55 M CA 1.598 56.438 55.300 -0.766 0.000 1.107 55 M CB -0.284 32.102 32.600 -0.356 0.000 1.356 55 M HN 0.322 nan 8.290 nan 0.000 0.406 56 S N 0.372 115.888 115.700 -0.306 0.000 2.382 56 S HA -0.110 4.358 4.470 -0.002 0.000 0.228 56 S C 1.746 176.199 174.600 -0.246 0.000 1.027 56 S CA 1.215 59.272 58.200 -0.238 0.000 0.991 56 S CB -0.355 62.781 63.200 -0.106 0.000 0.823 56 S HN 0.581 nan 8.310 nan 0.000 0.469 57 L N 0.745 121.834 121.223 -0.223 0.000 2.109 57 L HA 0.029 4.368 4.340 -0.002 0.000 0.207 57 L C 2.889 179.647 176.870 -0.187 0.000 1.086 57 L CA 1.034 55.768 54.840 -0.177 0.000 0.760 57 L CB -0.618 41.341 42.059 -0.167 0.000 0.910 57 L HN 0.388 nan 8.230 nan 0.000 0.437 58 A N -0.108 122.565 122.820 -0.245 0.000 1.902 58 A HA -0.266 4.053 4.320 -0.002 0.000 0.217 58 A C 2.341 179.846 177.584 -0.132 0.000 1.181 58 A CA 1.820 53.814 52.037 -0.072 0.000 0.623 58 A CB -0.511 18.503 19.000 0.024 0.000 0.818 58 A HN 0.433 nan 8.150 nan 0.000 0.443 59 M N -0.803 118.423 119.600 -0.624 0.000 2.065 59 M HA -0.162 4.317 4.480 -0.002 0.000 0.259 59 M C 2.044 178.161 176.300 -0.304 0.000 1.069 59 M CA 2.261 57.010 55.300 -0.918 0.000 1.110 59 M CB -0.254 31.678 32.600 -1.113 0.000 1.328 59 M HN 0.360 nan 8.290 nan 0.000 0.405 60 L N 0.916 122.028 121.223 -0.185 0.000 2.191 60 L HA -0.140 4.199 4.340 -0.002 0.000 0.212 60 L C 2.549 179.416 176.870 -0.004 0.000 1.103 60 L CA 2.277 57.093 54.840 -0.039 0.000 0.769 60 L CB -0.830 41.188 42.059 -0.069 0.000 0.908 60 L HN 0.618 nan 8.230 nan 0.000 0.438 61 S N -1.509 114.187 115.700 -0.006 0.000 2.474 61 S HA -0.139 4.330 4.470 -0.002 0.000 0.235 61 S C 1.855 176.505 174.600 0.085 0.000 0.997 61 S CA 0.923 59.145 58.200 0.037 0.000 0.949 61 S CB -0.695 62.552 63.200 0.077 0.000 0.766 61 S HN 0.363 nan 8.310 nan 0.000 0.517 62 L N 1.716 123.002 121.223 0.105 0.000 2.191 62 L HA 0.158 4.497 4.340 -0.002 0.000 0.212 62 L C 2.413 179.397 176.870 0.190 0.000 1.103 62 L CA 1.642 56.556 54.840 0.123 0.000 0.769 62 L CB -1.101 41.002 42.059 0.074 0.000 0.908 62 L HN 0.576 nan 8.230 nan 0.000 0.438 63 G N -2.030 106.835 108.800 0.110 0.000 3.324 63 G HA2 0.464 4.423 3.960 -0.002 0.000 0.251 63 G HA3 0.464 4.423 3.960 -0.002 0.000 0.251 63 G C 0.416 175.178 174.900 -0.230 0.000 1.072 63 G CA 0.472 45.412 45.100 -0.266 0.000 0.787 63 G HN 0.361 nan 8.290 nan 0.000 0.537 64 A N -0.363 122.389 122.820 -0.114 0.000 2.279 64 A HA 0.899 5.218 4.320 -0.002 0.000 0.303 64 A C 0.467 178.004 177.584 -0.078 0.000 1.108 64 A CA 0.114 52.084 52.037 -0.112 0.000 0.830 64 A CB 1.249 20.192 19.000 -0.095 0.000 1.106 64 A HN 0.691 nan 8.150 nan 0.000 0.493 65 G N -1.270 107.479 108.800 -0.085 0.000 2.949 65 G HA2 0.584 4.543 3.960 -0.002 0.000 0.285 65 G HA3 0.584 4.543 3.960 -0.002 0.000 0.285 65 G C 0.067 174.933 174.900 -0.058 0.000 1.395 65 G CA 0.376 45.438 45.100 -0.064 0.000 0.901 65 G HN 1.545 nan 8.290 nan 0.000 0.519 66 S N -1.190 114.486 115.700 -0.041 0.000 3.687 66 S HA -0.316 4.153 4.470 -0.002 0.000 0.619 66 S C 2.292 176.882 174.600 -0.017 0.000 2.483 66 S CA 2.242 60.427 58.200 -0.026 0.000 4.088 66 S CB -1.553 61.628 63.200 -0.031 0.000 0.326 66 S HN 2.022 nan 8.310 nan 0.000 0.982 67 S N 0.476 116.176 115.700 0.001 0.000 2.489 67 S HA -0.009 4.460 4.470 -0.002 0.000 0.228 67 S C 1.605 176.197 174.600 -0.013 0.000 0.995 67 S CA 1.493 59.698 58.200 0.008 0.000 0.934 67 S CB -0.628 62.597 63.200 0.041 0.000 0.771 67 S HN 0.670 nan 8.310 nan 0.000 0.522 68 T N 2.504 117.038 114.554 -0.034 0.000 2.708 68 T HA -0.065 4.283 4.350 -0.002 0.000 0.266 68 T C 1.755 176.408 174.700 -0.079 0.000 1.037 68 T CA 1.669 63.725 62.100 -0.073 0.000 1.146 68 T CB -0.262 68.541 68.868 -0.108 0.000 0.865 68 T HN 0.567 nan 8.240 nan 0.000 0.435 69 K N 0.293 120.656 120.400 -0.062 0.000 2.031 69 K HA -0.026 4.293 4.320 -0.002 0.000 0.205 69 K C 2.392 178.968 176.600 -0.039 0.000 1.049 69 K CA 0.924 57.182 56.287 -0.049 0.000 0.939 69 K CB -0.123 32.358 32.500 -0.031 0.000 0.717 69 K HN 0.119 nan 8.250 nan 0.000 0.438 70 M N 1.271 120.854 119.600 -0.029 0.000 2.082 70 M HA -0.228 4.251 4.480 -0.002 0.000 0.258 70 M C 2.095 178.377 176.300 -0.030 0.000 1.069 70 M CA 1.758 57.044 55.300 -0.023 0.000 1.102 70 M CB -1.074 31.518 32.600 -0.013 0.000 1.336 70 M HN 0.275 nan 8.290 nan 0.000 0.404 71 Q N -0.271 119.510 119.800 -0.032 0.000 2.135 71 Q HA -0.155 4.184 4.340 -0.002 0.000 0.204 71 Q C 2.110 178.078 176.000 -0.055 0.000 0.981 71 Q CA 1.323 57.108 55.803 -0.031 0.000 0.856 71 Q CB -0.205 28.516 28.738 -0.028 0.000 0.902 71 Q HN 0.529 nan 8.270 nan 0.000 0.425 72 I N 0.322 120.848 120.570 -0.073 0.000 2.193 72 I HA -0.280 3.889 4.170 -0.002 0.000 0.240 72 I C 2.150 178.203 176.117 -0.107 0.000 1.084 72 I CA 0.974 62.213 61.300 -0.101 0.000 1.365 72 I CB -0.209 37.733 38.000 -0.096 0.000 1.064 72 I HN 0.187 nan 8.210 nan 0.000 0.410 73 L N 0.271 121.452 121.223 -0.069 0.000 2.079 73 L HA -0.237 4.101 4.340 -0.002 0.000 0.210 73 L C 2.528 179.356 176.870 -0.070 0.000 1.081 73 L CA 1.488 56.292 54.840 -0.060 0.000 0.752 73 L CB -0.628 41.410 42.059 -0.035 0.000 0.896 73 L HN 0.317 nan 8.230 nan 0.000 0.433 74 E N 0.231 120.395 120.200 -0.060 0.000 2.204 74 E HA -0.153 4.196 4.350 -0.002 0.000 0.194 74 E C 2.139 178.692 176.600 -0.078 0.000 0.989 74 E CA 0.839 57.210 56.400 -0.049 0.000 0.824 74 E CB -0.019 29.667 29.700 -0.024 0.000 0.756 74 E HN 0.488 nan 8.360 nan 0.000 0.477 75 G N 0.418 109.132 108.800 -0.143 0.000 2.484 75 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.218 75 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.218 75 G C 1.322 175.943 174.900 -0.465 0.000 1.130 75 G CA 0.113 45.032 45.100 -0.301 0.000 0.784 75 G HN 0.182 nan 8.290 nan 0.000 0.543 76 L N 0.340 121.392 121.223 -0.285 0.000 2.628 76 L HA 0.294 4.633 4.340 -0.002 0.000 0.229 76 L C 1.766 178.584 176.870 -0.086 0.000 1.137 76 L CA 0.267 54.989 54.840 -0.197 0.000 0.909 76 L CB 0.171 42.172 42.059 -0.096 0.000 1.137 76 L HN 0.281 nan 8.230 nan 0.000 0.470 77 G N 1.300 110.056 108.800 -0.075 0.000 2.221 77 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.265 77 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.265 77 G C -0.229 174.653 174.900 -0.030 0.000 1.041 77 G CA 0.230 45.311 45.100 -0.032 0.000 0.807 77 G HN 0.211 nan 8.290 nan 0.000 0.502 78 L N 0.071 121.272 121.223 -0.038 0.000 2.379 78 L HA 0.669 5.008 4.340 -0.002 0.000 0.269 78 L C 0.354 177.206 176.870 -0.030 0.000 1.084 78 L CA -0.800 54.017 54.840 -0.038 0.000 0.802 78 L CB 1.325 43.357 42.059 -0.045 0.000 1.175 78 L HN 0.257 nan 8.230 nan 0.000 0.448 79 N N 3.423 122.106 118.700 -0.029 0.000 2.626 79 N HA 0.139 4.878 4.740 -0.002 0.000 0.249 79 N C 0.415 175.911 175.510 -0.022 0.000 1.021 79 N CA -0.598 52.439 53.050 -0.022 0.000 0.886 79 N CB 0.723 39.199 38.487 -0.019 0.000 1.149 79 N HN 0.656 nan 8.380 nan 0.000 0.517 80 L N 3.415 124.626 121.223 -0.019 0.000 2.447 80 L HA -0.156 4.183 4.340 -0.002 0.000 0.225 80 L C 2.691 179.553 176.870 -0.013 0.000 1.148 80 L CA 1.924 56.754 54.840 -0.016 0.000 0.808 80 L CB -0.661 41.391 42.059 -0.012 0.000 0.928 80 L HN 0.773 nan 8.230 nan 0.000 0.448 81 Q N -0.877 118.916 119.800 -0.013 0.000 2.376 81 Q HA 0.230 4.569 4.340 -0.002 0.000 0.206 81 Q C 1.823 177.816 176.000 -0.012 0.000 0.921 81 Q CA 1.082 56.879 55.803 -0.011 0.000 0.911 81 Q CB -0.509 28.224 28.738 -0.009 0.000 1.032 81 Q HN 0.488 nan 8.270 nan 0.000 0.510 82 K N -0.588 119.802 120.400 -0.015 0.000 2.619 82 K HA 0.655 4.974 4.320 -0.002 0.000 0.201 82 K C -0.065 176.521 176.600 -0.023 0.000 1.090 82 K CA 0.453 56.730 56.287 -0.017 0.000 1.063 82 K CB 0.543 33.034 32.500 -0.016 0.000 0.810 82 K HN 0.504 nan 8.250 nan 0.000 0.506 83 S N -0.365 115.320 115.700 -0.025 0.000 2.608 83 S HA 0.503 4.972 4.470 -0.002 0.000 0.285 83 S C -1.235 173.344 174.600 -0.035 0.000 1.108 83 S CA 0.189 58.368 58.200 -0.034 0.000 0.858 83 S CB 1.057 64.232 63.200 -0.042 0.000 1.077 83 S HN 0.965 nan 8.310 nan 0.000 0.450 84 S N 2.051 117.727 115.700 -0.040 0.000 2.681 84 S HA 0.577 5.046 4.470 -0.002 0.000 0.299 84 S C 0.623 175.185 174.600 -0.062 0.000 1.113 84 S CA -0.658 57.520 58.200 -0.037 0.000 1.013 84 S CB 1.329 64.516 63.200 -0.022 0.000 1.076 84 S HN 0.769 nan 8.310 nan 0.000 0.534 85 E N 0.322 120.490 120.200 -0.053 0.000 2.158 85 E HA -0.074 4.275 4.350 -0.002 0.000 0.191 85 E C 1.594 178.128 176.600 -0.111 0.000 0.982 85 E CA 0.239 56.567 56.400 -0.120 0.000 0.823 85 E CB -0.069 29.619 29.700 -0.020 0.000 0.766 85 E HN 0.483 nan 8.360 nan 0.000 0.468 86 K N 1.876 122.282 120.400 0.009 0.000 2.009 86 K HA -0.213 4.106 4.320 -0.002 0.000 0.210 86 K C 1.694 178.299 176.600 0.010 0.000 1.049 86 K CA 1.625 57.948 56.287 0.060 0.000 0.929 86 K CB -0.089 32.434 32.500 0.039 0.000 0.714 86 K HN 0.177 nan 8.250 nan 0.000 0.440 87 E N 0.705 120.881 120.200 -0.039 0.000 2.204 87 E HA -0.133 4.216 4.350 -0.002 0.000 0.194 87 E C 1.850 178.381 176.600 -0.116 0.000 0.989 87 E CA 0.236 56.597 56.400 -0.065 0.000 0.824 87 E CB -0.052 29.607 29.700 -0.068 0.000 0.756 87 E HN 0.152 nan 8.360 nan 0.000 0.477 88 L N 1.269 122.396 121.223 -0.161 0.000 2.005 88 L HA -0.180 4.159 4.340 -0.002 0.000 0.207 88 L C 2.068 178.846 176.870 -0.154 0.000 1.072 88 L CA 2.028 56.731 54.840 -0.228 0.000 0.744 88 L CB -0.810 41.087 42.059 -0.271 0.000 0.895 88 L HN 0.258 nan 8.230 nan 0.000 0.433 89 H N -0.288 118.837 119.070 0.091 0.000 2.389 89 H HA -0.127 4.428 4.556 -0.002 0.000 0.299 89 H C 2.284 177.590 175.328 -0.037 0.000 1.081 89 H CA 1.450 57.577 56.048 0.132 0.000 1.345 89 H CB -0.178 29.663 29.762 0.132 0.000 1.393 89 H HN 0.345 nan 8.280 nan 0.000 0.520 90 R N 0.886 121.413 120.500 0.045 0.000 2.120 90 R HA -0.083 4.256 4.340 -0.002 0.000 0.234 90 R C 2.450 178.699 176.300 -0.085 0.000 1.123 90 R CA 1.093 57.175 56.100 -0.029 0.000 0.975 90 R CB -0.274 30.009 30.300 -0.029 0.000 0.866 90 R HN 0.314 nan 8.270 nan 0.000 0.446 91 G N 0.041 108.751 108.800 -0.151 0.000 2.414 91 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.215 91 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.215 91 G C 1.017 175.765 174.900 -0.253 0.000 1.188 91 G CA 0.475 45.418 45.100 -0.261 0.000 0.783 91 G HN 0.259 nan 8.290 nan 0.000 0.537 92 F N 0.873 120.789 119.950 -0.057 0.000 2.186 92 F HA 0.023 4.549 4.527 -0.002 0.000 0.299 92 F C 2.829 178.520 175.800 -0.181 0.000 1.090 92 F CA 1.215 59.174 58.000 -0.068 0.000 1.307 92 F CB -0.550 38.478 39.000 0.047 0.000 1.019 92 F HN 0.214 nan 8.300 nan 0.000 0.489 93 Q N 0.035 119.769 119.800 -0.110 0.000 2.135 93 Q HA -0.277 4.062 4.340 -0.002 0.000 0.204 93 Q C 2.094 178.046 176.000 -0.080 0.000 0.981 93 Q CA 1.686 57.380 55.803 -0.181 0.000 0.856 93 Q CB -0.054 28.572 28.738 -0.187 0.000 0.902 93 Q HN 0.330 nan 8.270 nan 0.000 0.425 94 Q N 0.106 119.871 119.800 -0.058 0.000 2.062 94 Q HA -0.068 4.270 4.340 -0.002 0.000 0.196 94 Q C 1.931 177.921 176.000 -0.016 0.000 0.967 94 Q CA 0.989 56.768 55.803 -0.040 0.000 0.832 94 Q CB -0.277 28.431 28.738 -0.050 0.000 0.899 94 Q HN 0.422 nan 8.270 nan 0.000 0.442 95 L N -0.108 121.113 121.223 -0.004 0.000 2.081 95 L HA -0.161 4.178 4.340 -0.002 0.000 0.212 95 L C 1.877 178.778 176.870 0.052 0.000 1.080 95 L CA 1.693 56.551 54.840 0.031 0.000 0.754 95 L CB -0.631 41.471 42.059 0.072 0.000 0.893 95 L HN 0.357 nan 8.230 nan 0.000 0.433 96 L N -0.960 120.296 121.223 0.055 0.000 1.994 96 L HA -0.256 4.083 4.340 -0.002 0.000 0.208 96 L C 2.676 179.568 176.870 0.038 0.000 1.071 96 L CA 1.781 56.652 54.840 0.052 0.000 0.745 96 L CB -0.301 41.776 42.059 0.029 0.000 0.892 96 L HN 0.438 nan 8.230 nan 0.000 0.431 97 Q N -0.660 119.148 119.800 0.014 0.000 2.181 97 Q HA -0.298 4.041 4.340 -0.002 0.000 0.205 97 Q C 1.900 177.911 176.000 0.018 0.000 0.980 97 Q CA 1.903 57.714 55.803 0.012 0.000 0.862 97 Q CB -0.067 28.668 28.738 -0.004 0.000 0.905 97 Q HN 0.435 nan 8.270 nan 0.000 0.429 98 E N 1.088 121.297 120.200 0.015 0.000 2.072 98 E HA -0.145 4.204 4.350 -0.002 0.000 0.191 98 E C 1.623 178.236 176.600 0.022 0.000 0.985 98 E CA 1.033 57.439 56.400 0.009 0.000 0.801 98 E CB -0.193 29.510 29.700 0.004 0.000 0.750 98 E HN 0.329 nan 8.360 nan 0.000 0.452 99 L N 0.503 121.758 121.223 0.053 0.000 2.395 99 L HA 0.023 4.362 4.340 -0.002 0.000 0.218 99 L C 1.480 178.427 176.870 0.128 0.000 1.130 99 L CA 0.464 55.363 54.840 0.098 0.000 0.826 99 L CB -0.201 41.927 42.059 0.116 0.000 0.941 99 L HN 0.153 nan 8.230 nan 0.000 0.451 100 N N 0.098 118.854 118.700 0.093 0.000 2.280 100 N HA -0.010 4.729 4.740 -0.002 0.000 0.192 100 N C 0.789 176.346 175.510 0.078 0.000 1.109 100 N CA 0.181 53.291 53.050 0.101 0.000 0.855 100 N CB 0.147 38.683 38.487 0.081 0.000 0.974 100 N HN 0.355 nan 8.380 nan 0.000 0.482 101 Q N 2.507 122.336 119.800 0.048 0.000 2.281 101 Q HA 0.208 4.547 4.340 -0.002 0.000 0.267 101 Q C -2.144 173.871 176.000 0.026 0.000 1.053 101 Q CA -1.359 54.457 55.803 0.022 0.000 0.905 101 Q CB -0.764 27.968 28.738 -0.011 0.000 1.195 101 Q HN 0.183 nan 8.270 nan 0.000 0.398 102 P HA 0.477 nan 4.420 nan 0.000 0.268 102 P C -0.422 176.896 177.300 0.030 0.000 1.204 102 P CA 0.159 63.294 63.100 0.059 0.000 0.768 102 P CB 0.651 32.382 31.700 0.053 0.000 0.842 103 R N 0.466 120.999 120.500 0.054 0.000 2.797 103 R HA 0.449 4.788 4.340 -0.002 0.000 0.230 103 R C 0.286 176.637 176.300 0.084 0.000 1.591 103 R CA 0.188 56.303 56.100 0.025 0.000 1.501 103 R CB -1.342 28.912 30.300 -0.077 0.000 1.524 103 R HN 0.755 nan 8.270 nan 0.000 0.711 104 D N -0.220 120.228 120.400 0.080 0.000 3.146 104 D HA 0.420 5.059 4.640 -0.002 0.000 0.205 104 D C 1.427 177.781 176.300 0.089 0.000 1.060 104 D CA 1.615 55.663 54.000 0.079 0.000 0.765 104 D CB 0.055 40.886 40.800 0.051 0.000 1.160 104 D HN 2.202 nan 8.370 nan 0.000 0.523 105 G N -0.148 108.705 108.800 0.088 0.000 2.148 105 G HA2 0.229 4.187 3.960 -0.002 0.000 0.203 105 G HA3 0.229 4.187 3.960 -0.002 0.000 0.203 105 G C 0.084 175.061 174.900 0.129 0.000 0.993 105 G CA 0.288 45.439 45.100 0.085 0.000 0.661 105 G HN 1.831 nan 8.290 nan 0.000 0.518 106 F N -0.239 119.655 119.950 -0.095 0.000 2.650 106 F HA 0.691 5.217 4.527 -0.002 0.000 0.310 106 F C -0.779 174.929 175.800 -0.154 0.000 1.112 106 F CA 0.539 58.429 58.000 -0.183 0.000 0.986 106 F CB 1.095 40.027 39.000 -0.114 0.000 1.285 106 F HN 0.642 nan 8.300 nan 0.000 0.440 107 Q N 5.661 125.038 119.800 -0.705 0.000 2.337 107 Q HA 0.680 5.018 4.340 -0.002 0.000 0.260 107 Q C -2.343 173.386 176.000 -0.452 0.000 0.982 107 Q CA -0.521 55.080 55.803 -0.337 0.000 0.734 107 Q CB 1.941 30.609 28.738 -0.118 0.000 1.272 107 Q HN 0.956 nan 8.270 nan 0.000 0.461 108 L N 1.482 122.635 121.223 -0.117 0.000 2.372 108 L HA 0.795 5.134 4.340 -0.002 0.000 0.274 108 L C -0.943 176.068 176.870 0.235 0.000 0.988 108 L CA -0.530 54.364 54.840 0.090 0.000 0.833 108 L CB 2.180 44.431 42.059 0.319 0.000 1.236 108 L HN 0.567 nan 8.230 nan 0.000 0.410 109 S N 6.751 122.631 115.700 0.300 0.000 2.596 109 S HA 0.669 5.138 4.470 -0.002 0.000 0.318 109 S C -0.867 173.936 174.600 0.339 0.000 1.097 109 S CA -0.565 57.812 58.200 0.295 0.000 1.080 109 S CB 1.224 64.586 63.200 0.270 0.000 0.991 109 S HN 0.608 nan 8.310 nan 0.000 0.471 110 L N 1.036 122.414 121.223 0.258 0.000 2.455 110 L HA 1.079 5.418 4.340 -0.002 0.000 0.264 110 L C -0.403 176.469 176.870 0.003 0.000 0.968 110 L CA -0.516 54.401 54.840 0.130 0.000 0.827 110 L CB 1.701 43.814 42.059 0.090 0.000 1.317 110 L HN 0.711 nan 8.230 nan 0.000 0.407 111 G N 1.510 110.061 108.800 -0.415 0.000 2.619 111 G HA2 0.528 4.487 3.960 -0.002 0.000 0.305 111 G HA3 0.528 4.487 3.960 -0.002 0.000 0.305 111 G C -2.078 172.503 174.900 -0.533 0.000 1.330 111 G CA -0.786 44.117 45.100 -0.329 0.000 0.789 111 G HN 0.709 nan 8.290 nan 0.000 0.487 112 N N -0.833 117.763 118.700 -0.172 0.000 2.405 112 N HA 0.666 5.405 4.740 -0.002 0.000 0.274 112 N C -1.219 174.324 175.510 0.055 0.000 1.170 112 N CA -0.274 52.727 53.050 -0.081 0.000 0.848 112 N CB 2.523 40.954 38.487 -0.093 0.000 1.629 112 N HN 1.037 nan 8.380 nan 0.000 0.481 113 A N 1.429 124.297 122.820 0.080 0.000 2.566 113 A HA 0.601 4.920 4.320 -0.002 0.000 0.297 113 A C -1.666 175.804 177.584 -0.190 0.000 1.059 113 A CA -0.547 51.420 52.037 -0.116 0.000 0.691 113 A CB 1.316 20.296 19.000 -0.033 0.000 1.282 113 A HN 0.505 nan 8.150 nan 0.000 0.401 114 L N 1.809 122.789 121.223 -0.405 0.000 2.333 114 L HA 0.580 4.919 4.340 -0.002 0.000 0.280 114 L C -1.522 175.133 176.870 -0.358 0.000 1.004 114 L CA -0.345 54.376 54.840 -0.198 0.000 0.820 114 L CB 1.415 43.440 42.059 -0.057 0.000 1.247 114 L HN 0.720 nan 8.230 nan 0.000 0.416 115 F N 1.167 121.227 119.950 0.184 0.000 2.402 115 F HA 0.389 4.915 4.527 -0.002 0.000 0.355 115 F C 0.614 176.620 175.800 0.342 0.000 1.123 115 F CA -0.702 57.443 58.000 0.241 0.000 1.021 115 F CB 1.940 41.116 39.000 0.294 0.000 1.160 115 F HN 0.303 nan 8.300 nan 0.000 0.451 116 T N -0.690 114.071 114.554 0.345 0.000 2.829 116 T HA 0.343 4.692 4.350 -0.002 0.000 0.280 116 T C -0.597 174.261 174.700 0.262 0.000 0.999 116 T CA -0.994 61.294 62.100 0.312 0.000 0.983 116 T CB 1.619 70.574 68.868 0.146 0.000 0.968 116 T HN 0.414 nan 8.240 nan 0.000 0.446 117 D N 1.290 121.900 120.400 0.349 0.000 2.478 117 D HA 0.020 4.658 4.640 -0.002 0.000 0.234 117 D C 1.162 177.498 176.300 0.060 0.000 1.154 117 D CA -0.472 53.668 54.000 0.233 0.000 0.874 117 D CB 0.499 41.451 40.800 0.255 0.000 1.198 117 D HN 0.329 nan 8.370 nan 0.000 0.455 118 L N 3.758 124.993 121.223 0.021 0.000 2.189 118 L HA -0.119 4.220 4.340 -0.002 0.000 0.214 118 L C 2.176 179.044 176.870 -0.004 0.000 1.097 118 L CA 1.056 55.898 54.840 0.002 0.000 0.764 118 L CB -0.775 41.281 42.059 -0.005 0.000 0.900 118 L HN 0.503 nan 8.230 nan 0.000 0.436 119 V N -0.932 118.967 119.914 -0.024 0.000 3.461 119 V HA 0.012 4.131 4.120 -0.002 0.000 0.267 119 V C 0.687 176.687 176.094 -0.158 0.000 1.186 119 V CA 0.055 62.325 62.300 -0.050 0.000 1.154 119 V CB 0.221 32.024 31.823 -0.033 0.000 0.802 119 V HN 0.036 nan 8.190 nan 0.000 0.474 120 V N 2.352 122.158 119.914 -0.180 0.000 2.353 120 V HA 0.307 4.426 4.120 -0.002 0.000 0.264 120 V C -0.354 175.721 176.094 -0.031 0.000 1.049 120 V CA -0.933 61.251 62.300 -0.194 0.000 0.896 120 V CB 0.805 32.532 31.823 -0.161 0.000 1.025 120 V HN 0.352 nan 8.190 nan 0.000 0.475 121 D N 5.483 125.901 120.400 0.030 0.000 2.371 121 D HA 0.303 4.942 4.640 -0.002 0.000 0.256 121 D C 0.027 176.348 176.300 0.035 0.000 1.193 121 D CA 0.129 54.154 54.000 0.042 0.000 0.881 121 D CB 1.499 42.334 40.800 0.059 0.000 1.143 121 D HN 0.347 nan 8.370 nan 0.000 0.473 122 L N 2.109 123.356 121.223 0.039 0.000 2.350 122 L HA 0.166 4.505 4.340 -0.002 0.000 0.275 122 L C 0.924 177.831 176.870 0.061 0.000 1.099 122 L CA -0.766 54.108 54.840 0.055 0.000 0.808 122 L CB 0.785 42.893 42.059 0.081 0.000 1.149 122 L HN 0.069 nan 8.230 nan 0.000 0.442 123 Q N 1.629 121.475 119.800 0.076 0.000 2.288 123 Q HA 0.054 4.393 4.340 -0.002 0.000 0.258 123 Q C 0.047 176.109 176.000 0.103 0.000 0.957 123 Q CA -0.281 55.567 55.803 0.076 0.000 0.919 123 Q CB 1.675 30.452 28.738 0.065 0.000 1.185 123 Q HN 0.520 nan 8.270 nan 0.000 0.408 124 D N 1.109 121.546 120.400 0.061 0.000 2.149 124 D HA -0.157 4.482 4.640 -0.002 0.000 0.198 124 D C 1.763 178.088 176.300 0.041 0.000 0.990 124 D CA 2.042 56.067 54.000 0.041 0.000 0.839 124 D CB 0.010 40.824 40.800 0.023 0.000 0.948 124 D HN 0.694 nan 8.370 nan 0.000 0.460 125 T N -1.301 113.286 114.554 0.056 0.000 2.759 125 T HA -0.212 4.136 4.350 -0.002 0.000 0.269 125 T C 1.929 176.674 174.700 0.076 0.000 1.042 125 T CA 0.766 62.897 62.100 0.052 0.000 1.140 125 T CB -0.656 68.245 68.868 0.054 0.000 0.864 125 T HN 0.125 nan 8.240 nan 0.000 0.455 126 F N 2.024 121.951 119.950 -0.039 0.000 2.128 126 F HA 0.127 4.653 4.527 -0.002 0.000 0.295 126 F C 2.312 178.076 175.800 -0.060 0.000 1.100 126 F CA 0.400 58.368 58.000 -0.053 0.000 1.260 126 F CB -0.623 38.344 39.000 -0.054 0.000 1.009 126 F HN -0.021 nan 8.300 nan 0.000 0.476 127 V N -0.242 119.609 119.914 -0.105 0.000 2.332 127 V HA -0.316 3.803 4.120 -0.002 0.000 0.248 127 V C 2.731 178.693 176.094 -0.221 0.000 1.055 127 V CA 2.136 64.302 62.300 -0.222 0.000 1.038 127 V CB -1.123 30.658 31.823 -0.071 0.000 0.651 127 V HN 0.557 nan 8.190 nan 0.000 0.450 128 S N -0.047 115.578 115.700 -0.126 0.000 2.356 128 S HA -0.179 4.290 4.470 -0.002 0.000 0.223 128 S C 2.141 176.667 174.600 -0.123 0.000 1.032 128 S CA 1.709 59.850 58.200 -0.098 0.000 1.005 128 S CB -0.366 62.803 63.200 -0.050 0.000 0.867 128 S HN 0.602 nan 8.310 nan 0.000 0.449 129 A N 2.091 124.827 122.820 -0.139 0.000 1.902 129 A HA -0.014 4.305 4.320 -0.002 0.000 0.217 129 A C 2.383 179.867 177.584 -0.167 0.000 1.181 129 A CA 1.711 53.667 52.037 -0.135 0.000 0.623 129 A CB -0.681 18.248 19.000 -0.117 0.000 0.818 129 A HN 0.580 nan 8.150 nan 0.000 0.443 130 M N -0.754 118.645 119.600 -0.336 0.000 2.065 130 M HA -0.169 4.310 4.480 -0.002 0.000 0.259 130 M C 2.268 178.479 176.300 -0.148 0.000 1.071 130 M CA 2.282 57.386 55.300 -0.327 0.000 1.109 130 M CB -0.836 31.391 32.600 -0.622 0.000 1.313 130 M HN 0.446 nan 8.290 nan 0.000 0.408 131 K N 0.045 120.338 120.400 -0.178 0.000 2.057 131 K HA -0.085 4.234 4.320 -0.002 0.000 0.207 131 K C 1.757 178.316 176.600 -0.068 0.000 1.049 131 K CA 2.051 58.271 56.287 -0.112 0.000 0.931 131 K CB -0.689 31.741 32.500 -0.116 0.000 0.714 131 K HN 0.259 nan 8.250 nan 0.000 0.440 132 T N 1.018 115.527 114.554 -0.074 0.000 2.701 132 T HA -0.031 4.318 4.350 -0.002 0.000 0.263 132 T C 1.763 176.417 174.700 -0.078 0.000 1.040 132 T CA 1.649 63.712 62.100 -0.063 0.000 1.147 132 T CB -0.198 68.635 68.868 -0.060 0.000 0.865 132 T HN 0.114 nan 8.240 nan 0.000 0.426 133 L N -1.041 120.125 121.223 -0.095 0.000 2.068 133 L HA 0.034 4.373 4.340 -0.002 0.000 0.204 133 L C 1.768 178.415 176.870 -0.372 0.000 1.076 133 L CA 1.323 56.029 54.840 -0.222 0.000 0.753 133 L CB -0.273 41.647 42.059 -0.231 0.000 0.910 133 L HN 0.294 nan 8.230 nan 0.000 0.439 134 Y N -1.531 118.727 120.300 -0.071 0.000 2.507 134 Y HA 0.267 4.816 4.550 -0.002 0.000 0.254 134 Y C 0.307 176.171 175.900 -0.060 0.000 1.171 134 Y CA -0.766 57.298 58.100 -0.059 0.000 1.238 134 Y CB 0.472 38.877 38.460 -0.093 0.000 1.148 134 Y HN -0.129 nan 8.280 nan 0.000 0.525 135 L N -0.665 120.581 121.223 0.037 0.000 3.843 135 L HA -0.259 4.080 4.340 -0.002 0.000 0.411 135 L C 0.377 177.258 176.870 0.018 0.000 1.205 135 L CA 0.611 55.463 54.840 0.021 0.000 0.945 135 L CB -2.233 39.849 42.059 0.038 0.000 1.929 135 L HN 0.220 nan 8.230 nan 0.000 0.934 136 A N -1.101 121.704 122.820 -0.024 0.000 2.312 136 A HA 0.701 5.020 4.320 -0.002 0.000 0.326 136 A C 0.205 177.651 177.584 -0.230 0.000 1.172 136 A CA -0.610 51.369 52.037 -0.096 0.000 0.821 136 A CB 0.806 19.733 19.000 -0.122 0.000 1.166 136 A HN 0.218 nan 8.150 nan 0.000 0.493 137 D N 0.997 121.182 120.400 -0.357 0.000 2.181 137 D HA 0.511 5.150 4.640 -0.002 0.000 0.248 137 D C -0.755 175.038 176.300 -0.844 0.000 1.020 137 D CA 0.259 53.834 54.000 -0.708 0.000 0.891 137 D CB 1.743 41.813 40.800 -1.215 0.000 1.187 137 D HN 0.376 nan 8.370 nan 0.000 0.443 138 T N 1.759 115.841 114.554 -0.787 0.000 2.934 138 T HA 0.331 4.680 4.350 -0.002 0.000 0.328 138 T C -0.604 173.831 174.700 -0.442 0.000 1.068 138 T CA -0.537 61.258 62.100 -0.508 0.000 1.018 138 T CB -0.072 68.670 68.868 -0.210 0.000 1.009 138 T HN 0.069 nan 8.240 nan 0.000 0.471 139 F N 3.719 123.497 119.950 -0.286 0.000 2.404 139 F HA 0.458 4.983 4.527 -0.002 0.000 0.354 139 F C -2.216 173.544 175.800 -0.067 0.000 1.122 139 F CA -3.055 54.832 58.000 -0.188 0.000 1.080 139 F CB 0.898 39.753 39.000 -0.240 0.000 1.131 139 F HN 0.243 nan 8.300 nan 0.000 0.471 140 P HA 0.221 nan 4.420 nan 0.000 0.269 140 P C -0.673 176.638 177.300 0.018 0.000 1.209 140 P CA 0.155 63.298 63.100 0.071 0.000 0.776 140 P CB 0.757 32.484 31.700 0.045 0.000 0.876 141 T N 1.627 116.126 114.554 -0.092 0.000 3.041 141 T HA 0.235 4.584 4.350 -0.002 0.000 0.321 141 T C -0.583 173.876 174.700 -0.403 0.000 1.184 141 T CA -0.529 61.385 62.100 -0.311 0.000 1.050 141 T CB 0.749 69.271 68.868 -0.578 0.000 1.159 141 T HN 0.177 nan 8.240 nan 0.000 0.469 142 N N 1.955 120.469 118.700 -0.311 0.000 2.807 142 N HA 0.210 4.949 4.740 -0.002 0.000 0.259 142 N C 0.122 175.530 175.510 -0.170 0.000 1.149 142 N CA -0.681 52.264 53.050 -0.175 0.000 1.042 142 N CB -0.458 37.972 38.487 -0.094 0.000 1.367 142 N HN 0.449 nan 8.380 nan 0.000 0.516 143 F N 0.551 120.508 119.950 0.012 0.000 2.722 143 F HA -0.006 4.519 4.527 -0.002 0.000 0.298 143 F C 2.154 177.955 175.800 0.002 0.000 1.175 143 F CA 0.154 58.157 58.000 0.006 0.000 1.462 143 F CB -0.008 39.000 39.000 0.014 0.000 1.111 143 F HN 0.319 nan 8.300 nan 0.000 0.592 144 R N -0.916 119.664 120.500 0.133 0.000 2.148 144 R HA -0.104 4.235 4.340 -0.002 0.000 0.227 144 R C 0.465 176.800 176.300 0.059 0.000 1.103 144 R CA 1.108 57.258 56.100 0.084 0.000 0.983 144 R CB -0.898 29.432 30.300 0.050 0.000 0.874 144 R HN 0.256 nan 8.270 nan 0.000 0.451 145 D N -0.452 119.973 120.400 0.041 0.000 2.485 145 D HA 0.270 4.908 4.640 -0.002 0.000 0.256 145 D C 0.527 176.847 176.300 0.033 0.000 1.141 145 D CA -0.100 53.913 54.000 0.022 0.000 0.942 145 D CB 0.628 41.424 40.800 -0.007 0.000 1.003 145 D HN -0.062 nan 8.370 nan 0.000 0.507 146 S N 1.653 117.389 115.700 0.060 0.000 2.368 146 S HA -0.272 4.197 4.470 -0.002 0.000 0.226 146 S C 2.039 176.662 174.600 0.038 0.000 1.044 146 S CA 1.565 59.809 58.200 0.074 0.000 1.062 146 S CB -0.231 63.002 63.200 0.056 0.000 0.931 146 S HN 0.670 nan 8.310 nan 0.000 0.440 147 A N 1.234 124.063 122.820 0.015 0.000 1.972 147 A HA 0.089 4.408 4.320 -0.002 0.000 0.219 147 A C 2.307 179.881 177.584 -0.016 0.000 1.169 147 A CA 1.743 53.780 52.037 -0.001 0.000 0.635 147 A CB -1.296 17.701 19.000 -0.005 0.000 0.810 147 A HN 0.540 nan 8.150 nan 0.000 0.446 148 G N -0.602 108.185 108.800 -0.022 0.000 2.394 148 G HA2 0.068 4.026 3.960 -0.002 0.000 0.214 148 G HA3 0.068 4.026 3.960 -0.002 0.000 0.214 148 G C 1.755 176.612 174.900 -0.072 0.000 1.176 148 G CA 1.268 46.341 45.100 -0.044 0.000 0.786 148 G HN 0.746 nan 8.290 nan 0.000 0.533 149 A N 0.440 123.213 122.820 -0.078 0.000 1.902 149 A HA 0.050 4.369 4.320 -0.002 0.000 0.217 149 A C 2.359 179.873 177.584 -0.116 0.000 1.181 149 A CA 1.855 53.808 52.037 -0.141 0.000 0.623 149 A CB -0.407 18.505 19.000 -0.148 0.000 0.818 149 A HN 0.381 nan 8.150 nan 0.000 0.443 150 M N -0.665 118.909 119.600 -0.043 0.000 2.117 150 M HA -0.176 4.302 4.480 -0.002 0.000 0.262 150 M C 2.215 178.472 176.300 -0.073 0.000 1.065 150 M CA 2.189 57.460 55.300 -0.048 0.000 1.114 150 M CB -0.160 32.432 32.600 -0.013 0.000 1.361 150 M HN 0.463 nan 8.290 nan 0.000 0.408 151 K N -0.200 120.163 120.400 -0.062 0.000 2.097 151 K HA -0.235 4.084 4.320 -0.002 0.000 0.205 151 K C 2.017 178.577 176.600 -0.066 0.000 1.050 151 K CA 1.610 57.863 56.287 -0.056 0.000 0.938 151 K CB -0.243 32.230 32.500 -0.045 0.000 0.718 151 K HN 0.525 nan 8.250 nan 0.000 0.442 152 Q N 0.721 120.465 119.800 -0.094 0.000 2.084 152 Q HA -0.154 4.185 4.340 -0.002 0.000 0.202 152 Q C 2.074 178.019 176.000 -0.091 0.000 0.978 152 Q CA 1.425 57.171 55.803 -0.095 0.000 0.844 152 Q CB -0.062 28.593 28.738 -0.137 0.000 0.898 152 Q HN 0.391 nan 8.270 nan 0.000 0.426 153 I N 1.302 121.729 120.570 -0.237 0.000 2.252 153 I HA -0.271 3.898 4.170 -0.002 0.000 0.245 153 I C 1.900 177.990 176.117 -0.044 0.000 1.102 153 I CA 0.870 61.967 61.300 -0.340 0.000 1.385 153 I CB -0.321 37.321 38.000 -0.597 0.000 1.064 153 I HN 0.254 nan 8.210 nan 0.000 0.414 154 N N 0.778 119.445 118.700 -0.056 0.000 2.142 154 N HA -0.167 4.572 4.740 -0.002 0.000 0.186 154 N C 1.436 176.932 175.510 -0.022 0.000 1.023 154 N CA 1.279 54.310 53.050 -0.031 0.000 0.852 154 N CB -0.422 38.042 38.487 -0.040 0.000 0.998 154 N HN 0.294 nan 8.380 nan 0.000 0.424 155 D N -0.189 120.206 120.400 -0.008 0.000 2.117 155 D HA -0.154 4.485 4.640 -0.002 0.000 0.197 155 D C 1.820 178.135 176.300 0.025 0.000 0.987 155 D CA 0.682 54.678 54.000 -0.006 0.000 0.829 155 D CB -0.434 40.364 40.800 -0.003 0.000 0.961 155 D HN 0.294 nan 8.370 nan 0.000 0.460 156 Y N 1.701 121.996 120.300 -0.007 0.000 2.128 156 Y HA -0.235 4.314 4.550 -0.002 0.000 0.284 156 Y C 2.184 178.098 175.900 0.023 0.000 1.154 156 Y CA 1.218 59.359 58.100 0.068 0.000 1.149 156 Y CB -0.431 38.180 38.460 0.253 0.000 0.976 156 Y HN -0.197 nan 8.280 nan 0.000 0.505 157 V N 0.478 120.326 119.914 -0.111 0.000 2.427 157 V HA -0.281 3.838 4.120 -0.002 0.000 0.248 157 V C 2.672 178.535 176.094 -0.385 0.000 1.051 157 V CA 1.618 63.683 62.300 -0.392 0.000 1.048 157 V CB -1.591 30.074 31.823 -0.263 0.000 0.666 157 V HN 0.569 nan 8.190 nan 0.000 0.456 158 A N -0.019 122.667 122.820 -0.225 0.000 1.933 158 A HA -0.251 4.068 4.320 -0.002 0.000 0.218 158 A C 2.362 179.825 177.584 -0.202 0.000 1.175 158 A CA 2.123 54.046 52.037 -0.191 0.000 0.628 158 A CB -0.429 18.495 19.000 -0.125 0.000 0.814 158 A HN 0.538 nan 8.150 nan 0.000 0.444 159 K N -0.865 119.412 120.400 -0.205 0.000 2.057 159 K HA -0.151 4.168 4.320 -0.002 0.000 0.206 159 K C 1.837 178.312 176.600 -0.208 0.000 1.050 159 K CA 1.313 57.493 56.287 -0.177 0.000 0.935 159 K CB -0.154 32.263 32.500 -0.139 0.000 0.715 159 K HN 0.340 nan 8.250 nan 0.000 0.439 160 Q N 0.107 119.706 119.800 -0.335 0.000 2.437 160 Q HA -0.069 4.270 4.340 -0.002 0.000 0.210 160 Q C 1.174 177.087 176.000 -0.146 0.000 0.972 160 Q CA 1.507 57.159 55.803 -0.253 0.000 0.903 160 Q CB 0.200 28.728 28.738 -0.351 0.000 0.967 160 Q HN 0.515 nan 8.270 nan 0.000 0.486 161 T N -2.886 111.543 114.554 -0.208 0.000 3.215 161 T HA 0.198 4.547 4.350 -0.002 0.000 0.271 161 T C 0.201 174.789 174.700 -0.186 0.000 1.012 161 T CA -0.552 61.457 62.100 -0.153 0.000 0.899 161 T CB 0.286 69.040 68.868 -0.191 0.000 1.089 161 T HN -0.036 nan 8.240 nan 0.000 0.552 162 K N 1.162 121.473 120.400 -0.148 0.000 3.012 162 K HA -0.244 4.075 4.320 -0.002 0.000 0.259 162 K C 1.304 177.794 176.600 -0.183 0.000 0.989 162 K CA 0.819 57.021 56.287 -0.142 0.000 0.728 162 K CB -2.282 30.143 32.500 -0.124 0.000 1.260 162 K HN 1.155 nan 8.250 nan 0.000 0.480 163 G N -1.322 107.366 108.800 -0.187 0.000 2.179 163 G HA2 -0.425 3.534 3.960 -0.002 0.000 0.260 163 G HA3 -0.425 3.534 3.960 -0.002 0.000 0.260 163 G C 1.021 175.776 174.900 -0.241 0.000 0.977 163 G CA 0.772 45.761 45.100 -0.185 0.000 0.641 163 G HN 0.292 nan 8.290 nan 0.000 0.533 164 K N -0.680 119.506 120.400 -0.357 0.000 2.211 164 K HA 0.275 4.594 4.320 -0.002 0.000 0.203 164 K C 1.213 177.653 176.600 -0.266 0.000 1.050 164 K CA 1.303 57.278 56.287 -0.519 0.000 0.945 164 K CB 0.034 31.837 32.500 -1.162 0.000 0.732 164 K HN 0.663 nan 8.250 nan 0.000 0.451 165 I N 0.066 120.525 120.570 -0.185 0.000 2.464 165 I HA 0.292 4.461 4.170 -0.002 0.000 0.277 165 I C 1.290 177.343 176.117 -0.107 0.000 1.040 165 I CA -0.472 60.769 61.300 -0.098 0.000 1.153 165 I CB 1.410 39.370 38.000 -0.067 0.000 1.274 165 I HN -0.060 nan 8.210 nan 0.000 0.469 166 V N 5.204 125.070 119.914 -0.079 0.000 2.238 166 V HA -0.158 3.961 4.120 -0.002 0.000 0.235 166 V C 0.552 176.612 176.094 -0.055 0.000 1.037 166 V CA 1.691 63.949 62.300 -0.070 0.000 0.991 166 V CB -0.240 31.549 31.823 -0.057 0.000 0.638 166 V HN 0.673 nan 8.190 nan 0.000 0.457 167 D N 0.588 120.965 120.400 -0.039 0.000 2.638 167 D HA 0.334 4.973 4.640 -0.002 0.000 0.245 167 D C 1.217 177.506 176.300 -0.018 0.000 1.176 167 D CA -0.321 53.661 54.000 -0.030 0.000 0.996 167 D CB 0.994 41.778 40.800 -0.026 0.000 1.012 167 D HN 0.368 nan 8.370 nan 0.000 0.515 168 L N 0.452 121.667 121.223 -0.013 0.000 2.089 168 L HA -0.091 4.248 4.340 -0.002 0.000 0.213 168 L C -0.143 176.738 176.870 0.017 0.000 1.079 168 L CA 1.861 56.711 54.840 0.015 0.000 0.758 168 L CB -0.091 41.992 42.059 0.041 0.000 0.891 168 L HN 0.342 nan 8.230 nan 0.000 0.433 169 L N -0.193 121.031 121.223 0.003 0.000 2.346 169 L HA 0.224 4.563 4.340 -0.002 0.000 0.276 169 L C 0.586 177.451 176.870 -0.009 0.000 1.006 169 L CA -0.481 54.359 54.840 0.001 0.000 0.817 169 L CB 1.627 43.685 42.059 -0.002 0.000 1.272 169 L HN -0.208 nan 8.230 nan 0.000 0.421 170 K N 0.804 121.199 120.400 -0.009 0.000 2.391 170 K HA 0.276 4.595 4.320 -0.002 0.000 0.197 170 K C -0.303 176.291 176.600 -0.010 0.000 1.087 170 K CA 0.257 56.537 56.287 -0.012 0.000 1.012 170 K CB 0.503 32.994 32.500 -0.015 0.000 0.925 170 K HN 0.445 nan 8.250 nan 0.000 0.547 171 N N -0.333 118.363 118.700 -0.007 0.000 2.708 171 N HA 0.393 5.132 4.740 -0.002 0.000 0.257 171 N C -2.019 173.490 175.510 -0.001 0.000 1.373 171 N CA -0.676 52.371 53.050 -0.005 0.000 0.843 171 N CB 2.231 40.713 38.487 -0.009 0.000 1.503 171 N HN -0.148 nan 8.380 nan 0.000 0.504 172 L N 0.256 121.481 121.223 0.002 0.000 2.588 172 L HA 0.396 4.735 4.340 -0.002 0.000 0.263 172 L C -0.940 175.929 176.870 -0.001 0.000 0.935 172 L CA -0.096 54.747 54.840 0.005 0.000 0.891 172 L CB 1.355 43.438 42.059 0.041 0.000 1.318 172 L HN 0.725 nan 8.230 nan 0.000 0.409 173 D N 1.349 121.731 120.400 -0.029 0.000 2.317 173 D HA 0.340 4.979 4.640 -0.002 0.000 0.252 173 D C 0.886 177.169 176.300 -0.027 0.000 1.174 173 D CA 0.443 54.424 54.000 -0.032 0.000 0.866 173 D CB 1.509 42.278 40.800 -0.051 0.000 1.127 173 D HN 0.738 nan 8.370 nan 0.000 0.467 174 S N 0.987 116.691 115.700 0.007 0.000 2.653 174 S HA -0.036 4.433 4.470 -0.002 0.000 0.233 174 S C 1.747 176.361 174.600 0.023 0.000 0.970 174 S CA 1.448 59.671 58.200 0.039 0.000 0.947 174 S CB -0.879 62.346 63.200 0.041 0.000 0.771 174 S HN 0.796 nan 8.310 nan 0.000 0.538 175 N N 0.022 118.708 118.700 -0.024 0.000 2.187 175 N HA 0.636 5.375 4.740 -0.002 0.000 0.212 175 N C 0.338 175.788 175.510 -0.099 0.000 1.152 175 N CA 0.385 53.416 53.050 -0.032 0.000 0.872 175 N CB 0.129 nan 38.487 nan 0.000 1.025 175 N HN 0.548 nan 8.380 nan 0.000 0.514 176 A N -0.198 122.491 122.820 -0.219 0.000 2.531 176 A HA 0.461 4.780 4.320 -0.002 0.000 0.236 176 A C 1.532 178.853 177.584 -0.440 0.000 1.062 176 A CA 0.555 52.327 52.037 -0.443 0.000 0.760 176 A CB 0.562 19.048 19.000 -0.857 0.000 0.995 176 A HN 0.871 nan 8.150 nan 0.000 0.501 177 V N 2.719 122.459 119.914 -0.290 0.000 2.908 177 V HA 0.329 4.448 4.120 -0.002 0.000 0.240 177 V C 0.461 176.528 176.094 -0.045 0.000 1.117 177 V CA 1.624 63.860 62.300 -0.106 0.000 1.133 177 V CB 0.517 32.314 31.823 -0.043 0.000 0.857 177 V HN 1.428 nan 8.190 nan 0.000 0.478 178 V N 1.716 121.580 119.914 -0.083 0.000 2.668 178 V HA 0.581 4.700 4.120 -0.002 0.000 0.304 178 V C -1.451 174.665 176.094 0.036 0.000 1.071 178 V CA -0.709 61.624 62.300 0.056 0.000 0.894 178 V CB 1.944 33.812 31.823 0.074 0.000 1.008 178 V HN 0.153 nan 8.190 nan 0.000 0.425 179 I N 7.190 127.870 120.570 0.183 0.000 2.378 179 I HA 0.490 4.659 4.170 -0.002 0.000 0.291 179 I C -0.135 176.185 176.117 0.339 0.000 0.992 179 I CA -0.383 61.047 61.300 0.216 0.000 1.154 179 I CB 1.692 39.849 38.000 0.262 0.000 1.315 179 I HN 0.858 nan 8.210 nan 0.000 0.448 180 M N 8.520 128.272 119.600 0.253 0.000 2.227 180 M HA 0.601 5.080 4.480 -0.002 0.000 0.335 180 M C -1.263 175.199 176.300 0.270 0.000 1.053 180 M CA -0.629 54.816 55.300 0.242 0.000 0.973 180 M CB 1.595 34.295 32.600 0.167 0.000 1.623 180 M HN 0.391 nan 8.290 nan 0.000 0.434 181 V N 3.047 123.157 119.914 0.327 0.000 2.588 181 V HA 0.670 4.789 4.120 -0.002 0.000 0.304 181 V C -1.335 174.930 176.094 0.285 0.000 1.042 181 V CA -0.606 61.908 62.300 0.357 0.000 0.877 181 V CB 1.735 33.862 31.823 0.507 0.000 0.996 181 V HN 0.979 nan 8.190 nan 0.000 0.425 182 N N 3.604 122.443 118.700 0.232 0.000 2.296 182 N HA 0.596 5.335 4.740 -0.002 0.000 0.294 182 N C -1.778 173.792 175.510 0.101 0.000 1.033 182 N CA -0.262 52.823 53.050 0.059 0.000 0.839 182 N CB 2.778 41.345 38.487 0.133 0.000 1.395 182 N HN 0.968 nan 8.380 nan 0.000 0.479 183 Y N 1.632 122.027 120.300 0.158 0.000 2.597 183 Y HA 0.750 5.298 4.550 -0.002 0.000 0.340 183 Y C -1.318 174.671 175.900 0.148 0.000 1.097 183 Y CA -1.233 56.935 58.100 0.114 0.000 1.037 183 Y CB 1.266 39.798 38.460 0.120 0.000 1.305 183 Y HN 0.393 nan 8.280 nan 0.000 0.463 184 I N 2.824 123.607 120.570 0.355 0.000 2.710 184 I HA 0.549 4.718 4.170 -0.002 0.000 0.290 184 I C -2.399 174.001 176.117 0.471 0.000 1.318 184 I CA -0.803 60.720 61.300 0.372 0.000 1.045 184 I CB 1.694 39.838 38.000 0.239 0.000 1.307 184 I HN 0.762 nan 8.210 nan 0.000 0.424 185 F N 8.640 128.773 119.950 0.305 0.000 2.495 185 F HA 0.741 5.267 4.527 -0.002 0.000 0.327 185 F C -1.947 173.996 175.800 0.238 0.000 1.103 185 F CA -0.727 57.407 58.000 0.223 0.000 0.949 185 F CB 1.642 40.703 39.000 0.101 0.000 1.142 185 F HN 0.392 nan 8.300 nan 0.000 0.457 186 F N 6.549 125.939 119.950 -0.934 0.000 2.581 186 F HA 0.574 5.100 4.527 -0.002 0.000 0.311 186 F C -1.676 173.513 175.800 -1.018 0.000 1.113 186 F CA -0.598 56.945 58.000 -0.762 0.000 0.935 186 F CB 1.466 40.278 39.000 -0.314 0.000 1.232 186 F HN 0.544 nan 8.300 nan 0.000 0.445 187 K N 5.112 124.541 120.400 -1.619 0.000 2.606 187 K HA 0.759 5.078 4.320 -0.002 0.000 0.259 187 K C -2.182 173.663 176.600 -1.258 0.000 1.001 187 K CA -0.448 55.134 56.287 -1.176 0.000 0.881 187 K CB 1.442 33.593 32.500 -0.581 0.000 1.288 187 K HN 0.866 nan 8.250 nan 0.000 0.452 188 A N 3.394 125.514 122.820 -1.167 0.000 2.423 188 A HA 0.651 4.970 4.320 -0.002 0.000 0.304 188 A C -1.199 176.237 177.584 -0.246 0.000 1.104 188 A CA -0.896 50.701 52.037 -0.733 0.000 0.757 188 A CB 1.308 19.773 19.000 -0.891 0.000 1.313 188 A HN 0.522 nan 8.150 nan 0.000 0.423 189 K N 0.937 121.324 120.400 -0.021 0.000 2.322 189 K HA 0.130 4.449 4.320 -0.002 0.000 0.283 189 K C -0.917 175.830 176.600 0.245 0.000 1.042 189 K CA 0.230 56.568 56.287 0.086 0.000 0.958 189 K CB 0.544 33.116 32.500 0.120 0.000 0.984 189 K HN 0.685 nan 8.250 nan 0.000 0.473 190 W N 1.496 122.958 121.300 0.269 0.000 2.137 190 W HA 0.003 4.662 4.660 -0.001 0.000 0.344 190 W C 1.849 178.439 176.519 0.118 0.000 1.286 190 W CA -0.117 57.323 57.345 0.158 0.000 1.240 190 W CB 0.380 29.891 29.460 0.085 0.000 1.141 190 W HN 0.707 nan 8.180 nan 0.000 0.579 191 E N 0.284 120.706 120.200 0.369 0.000 2.118 191 E HA -0.173 4.176 4.350 -0.002 0.000 0.195 191 E C 0.351 177.030 176.600 0.132 0.000 0.992 191 E CA 1.409 57.939 56.400 0.216 0.000 0.804 191 E CB 0.117 29.924 29.700 0.178 0.000 0.741 191 E HN 0.388 nan 8.360 nan 0.000 0.458 192 T N -1.025 113.582 114.554 0.088 0.000 2.881 192 T HA 0.449 4.798 4.350 -0.002 0.000 0.291 192 T C -0.215 174.415 174.700 -0.117 0.000 0.990 192 T CA -0.949 61.129 62.100 -0.038 0.000 0.976 192 T CB 1.846 70.632 68.868 -0.138 0.000 0.970 192 T HN -0.096 nan 8.240 nan 0.000 0.438 193 S N 1.707 117.384 115.700 -0.039 0.000 2.592 193 S HA 0.414 4.883 4.470 -0.002 0.000 0.256 193 S C -0.511 173.957 174.600 -0.221 0.000 1.369 193 S CA -0.204 57.998 58.200 0.005 0.000 0.984 193 S CB -0.128 63.119 63.200 0.078 0.000 0.919 193 S HN 0.599 nan 8.310 nan 0.000 0.576 194 F N 1.565 121.544 119.950 0.047 0.000 2.477 194 F HA 0.296 4.822 4.527 -0.002 0.000 0.335 194 F C 0.585 176.377 175.800 -0.013 0.000 1.130 194 F CA -0.916 57.077 58.000 -0.011 0.000 0.948 194 F CB 0.886 39.879 39.000 -0.012 0.000 1.154 194 F HN 0.409 nan 8.300 nan 0.000 0.439 195 N N 3.004 121.752 118.700 0.080 0.000 2.417 195 N HA -0.120 4.619 4.740 -0.002 0.000 0.272 195 N C 1.434 176.902 175.510 -0.070 0.000 1.304 195 N CA 0.353 53.348 53.050 -0.091 0.000 0.906 195 N CB 0.264 38.666 38.487 -0.140 0.000 1.135 195 N HN 0.753 nan 8.380 nan 0.000 0.483 196 H N 3.283 122.418 119.070 0.107 0.000 2.400 196 H HA -0.220 4.335 4.556 -0.002 0.000 0.295 196 H C 1.808 177.179 175.328 0.071 0.000 1.118 196 H CA 2.769 58.870 56.048 0.089 0.000 1.256 196 H CB -0.563 29.243 29.762 0.072 0.000 1.365 196 H HN 0.571 nan 8.280 nan 0.000 0.502 197 K N 1.281 121.770 120.400 0.150 0.000 2.097 197 K HA 0.067 4.386 4.320 -0.002 0.000 0.205 197 K C 2.731 179.391 176.600 0.100 0.000 1.050 197 K CA 1.110 57.517 56.287 0.200 0.000 0.938 197 K CB -1.515 31.042 32.500 0.094 0.000 0.718 197 K HN 0.671 nan 8.250 nan 0.000 0.442 198 G N 0.899 109.729 108.800 0.051 0.000 2.498 198 G HA2 -0.048 3.910 3.960 -0.002 0.000 0.219 198 G HA3 -0.048 3.910 3.960 -0.002 0.000 0.219 198 G C 0.823 175.781 174.900 0.096 0.000 1.119 198 G CA 0.972 46.113 45.100 0.070 0.000 0.766 198 G HN 0.498 nan 8.290 nan 0.000 0.552 199 T N 1.771 116.384 114.554 0.099 0.000 2.799 199 T HA 0.417 4.766 4.350 -0.002 0.000 0.296 199 T C -0.256 174.494 174.700 0.082 0.000 0.947 199 T CA 0.230 62.382 62.100 0.087 0.000 1.141 199 T CB 1.240 70.157 68.868 0.082 0.000 0.891 199 T HN 0.044 nan 8.240 nan 0.000 0.533 200 Q N 1.793 121.640 119.800 0.078 0.000 2.389 200 Q HA 0.355 4.694 4.340 -0.002 0.000 0.277 200 Q C -0.607 175.421 176.000 0.046 0.000 1.082 200 Q CA -0.911 54.928 55.803 0.060 0.000 0.810 200 Q CB 2.168 30.941 28.738 0.060 0.000 1.374 200 Q HN 0.668 nan 8.270 nan 0.000 0.422 201 E N 1.502 121.722 120.200 0.034 0.000 2.299 201 E HA 0.093 4.442 4.350 -0.002 0.000 0.272 201 E C -0.836 175.775 176.600 0.018 0.000 1.043 201 E CA 0.383 56.799 56.400 0.027 0.000 0.895 201 E CB 0.548 30.260 29.700 0.020 0.000 1.011 201 E HN 0.396 nan 8.360 nan 0.000 0.432 202 Q N 2.978 122.792 119.800 0.024 0.000 2.587 202 Q HA 0.326 4.664 4.340 -0.002 0.000 0.293 202 Q C -1.127 174.892 176.000 0.033 0.000 1.083 202 Q CA -1.030 54.779 55.803 0.011 0.000 0.792 202 Q CB 1.211 29.938 28.738 -0.018 0.000 1.484 202 Q HN 0.414 nan 8.270 nan 0.000 0.446 203 D N 0.993 121.406 120.400 0.021 0.000 2.302 203 D HA 0.311 4.950 4.640 -0.002 0.000 0.248 203 D C -1.507 174.840 176.300 0.077 0.000 1.094 203 D CA 0.394 54.391 54.000 -0.005 0.000 0.897 203 D CB 0.541 41.312 40.800 -0.049 0.000 1.200 203 D HN 0.289 nan 8.370 nan 0.000 0.429 204 F N 2.702 122.583 119.950 -0.115 0.000 2.536 204 F HA 0.318 4.844 4.527 -0.002 0.000 0.322 204 F C -1.394 174.349 175.800 -0.095 0.000 1.144 204 F CA -0.917 57.081 58.000 -0.005 0.000 0.924 204 F CB 0.788 39.797 39.000 0.015 0.000 1.181 204 F HN 0.215 nan 8.300 nan 0.000 0.438 205 Y N 6.397 126.523 120.300 -0.291 0.000 2.595 205 Y HA 0.246 4.795 4.550 -0.002 0.000 0.347 205 Y C 1.076 176.948 175.900 -0.045 0.000 1.025 205 Y CA -0.353 57.677 58.100 -0.117 0.000 1.295 205 Y CB 0.643 39.014 38.460 -0.149 0.000 1.147 205 Y HN 0.480 nan 8.280 nan 0.000 0.515 206 V N 1.409 121.482 119.914 0.265 0.000 2.332 206 V HA -0.195 3.923 4.120 -0.002 0.000 0.248 206 V C 1.182 177.386 176.094 0.183 0.000 1.055 206 V CA 2.242 64.721 62.300 0.298 0.000 1.038 206 V CB -0.583 31.368 31.823 0.214 0.000 0.651 206 V HN 0.846 nan 8.190 nan 0.000 0.450 207 T N -4.385 110.262 114.554 0.154 0.000 2.716 207 T HA 0.327 4.676 4.350 -0.002 0.000 0.286 207 T C 1.016 175.817 174.700 0.169 0.000 1.052 207 T CA 0.165 62.342 62.100 0.127 0.000 1.024 207 T CB 1.461 70.385 68.868 0.094 0.000 1.349 207 T HN 0.168 nan 8.240 nan 0.000 0.525 208 S N -0.037 115.738 115.700 0.125 0.000 2.399 208 S HA -0.070 4.399 4.470 -0.002 0.000 0.231 208 S C 1.107 175.824 174.600 0.196 0.000 1.022 208 S CA 0.923 59.205 58.200 0.136 0.000 0.983 208 S CB -0.493 62.741 63.200 0.057 0.000 0.803 208 S HN 0.705 nan 8.310 nan 0.000 0.480 209 E N 0.755 121.032 120.200 0.128 0.000 2.583 209 E HA 0.217 4.566 4.350 -0.002 0.000 0.213 209 E C -0.549 176.084 176.600 0.056 0.000 0.989 209 E CA 0.125 56.581 56.400 0.095 0.000 0.991 209 E CB 1.036 30.773 29.700 0.062 0.000 1.040 209 E HN 0.399 nan 8.360 nan 0.000 0.481 210 T N 1.449 116.038 114.554 0.059 0.000 2.874 210 T HA 0.408 4.757 4.350 -0.002 0.000 0.321 210 T C -0.155 174.534 174.700 -0.019 0.000 1.075 210 T CA -0.262 61.853 62.100 0.025 0.000 0.966 210 T CB 1.493 70.390 68.868 0.048 0.000 1.001 210 T HN -0.255 nan 8.240 nan 0.000 0.476 211 V N 3.127 122.982 119.914 -0.099 0.000 2.628 211 V HA 0.992 5.111 4.120 -0.002 0.000 0.306 211 V C 0.129 176.158 176.094 -0.109 0.000 1.045 211 V CA -0.865 61.303 62.300 -0.220 0.000 0.905 211 V CB 1.456 32.999 31.823 -0.467 0.000 0.997 211 V HN 0.833 nan 8.190 nan 0.000 0.436 212 V N 3.590 123.468 119.914 -0.060 0.000 3.007 212 V HA 0.781 4.900 4.120 -0.002 0.000 0.311 212 V C -0.293 175.801 176.094 -0.001 0.000 1.120 212 V CA -1.343 60.944 62.300 -0.021 0.000 0.980 212 V CB 2.334 34.155 31.823 -0.004 0.000 1.033 212 V HN 0.702 nan 8.190 nan 0.000 0.429 213 R N 2.188 122.683 120.500 -0.008 0.000 2.410 213 R HA 0.753 5.092 4.340 -0.002 0.000 0.288 213 R C -0.634 175.676 176.300 0.016 0.000 1.051 213 R CA -0.172 55.932 56.100 0.007 0.000 1.021 213 R CB 1.664 31.962 30.300 -0.003 0.000 1.032 213 R HN 1.330 nan 8.270 nan 0.000 0.481 214 V N -0.726 119.211 119.914 0.039 0.000 3.049 214 V HA 0.539 4.658 4.120 -0.002 0.000 0.309 214 V C -2.613 173.508 176.094 0.045 0.000 1.148 214 V CA -2.594 59.724 62.300 0.030 0.000 0.990 214 V CB 2.585 34.417 31.823 0.015 0.000 1.039 214 V HN 0.578 nan 8.190 nan 0.000 0.430 215 P HA 0.217 nan 4.420 nan 0.000 0.268 215 P C -0.448 176.884 177.300 0.053 0.000 1.485 215 P CA 0.069 63.197 63.100 0.047 0.000 1.102 215 P CB 0.384 32.109 31.700 0.043 0.000 1.501 216 M N 4.391 124.027 119.600 0.060 0.000 2.143 216 M HA 0.239 4.718 4.480 -0.002 0.000 0.348 216 M C 0.708 177.045 176.300 0.061 0.000 1.375 216 M CA 0.175 55.518 55.300 0.072 0.000 1.124 216 M CB 0.112 32.768 32.600 0.094 0.000 1.669 216 M HN 0.293 nan 8.290 nan 0.000 0.469 217 M N 1.979 121.554 119.600 -0.042 0.000 2.197 217 M HA 0.436 4.915 4.480 -0.002 0.000 0.305 217 M C 0.294 176.558 176.300 -0.061 0.000 1.162 217 M CA -0.171 55.050 55.300 -0.131 0.000 1.099 217 M CB 1.412 33.710 32.600 -0.503 0.000 1.430 217 M HN 0.742 nan 8.290 nan 0.000 0.481 218 S N 0.627 116.328 115.700 0.002 0.000 2.552 218 S HA 0.807 5.276 4.470 -0.002 0.000 0.272 218 S C -1.120 173.532 174.600 0.088 0.000 1.150 218 S CA -1.150 57.015 58.200 -0.058 0.000 0.849 218 S CB 2.580 65.678 63.200 -0.170 0.000 1.113 218 S HN 0.873 nan 8.310 nan 0.000 0.458 219 R N 0.470 120.962 120.500 -0.013 0.000 2.979 219 R HA 0.233 4.572 4.340 -0.002 0.000 0.245 219 R C -2.029 174.281 176.300 0.016 0.000 1.104 219 R CA -0.161 55.947 56.100 0.014 0.000 1.056 219 R CB 1.372 31.683 30.300 0.019 0.000 1.265 219 R HN 0.913 nan 8.270 nan 0.000 0.470 220 E N 3.651 123.824 120.200 -0.046 0.000 2.200 220 E HA 0.244 4.593 4.350 -0.002 0.000 0.283 220 E C -1.184 175.345 176.600 -0.119 0.000 1.015 220 E CA -0.278 56.098 56.400 -0.040 0.000 0.819 220 E CB 1.144 30.799 29.700 -0.074 0.000 1.081 220 E HN 0.523 nan 8.360 nan 0.000 0.397 221 D N 2.006 122.276 120.400 -0.218 0.000 2.992 221 D HA 0.147 4.786 4.640 -0.002 0.000 0.349 221 D C -1.495 174.442 176.300 -0.604 0.000 1.393 221 D CA -0.139 53.564 54.000 -0.496 0.000 0.887 221 D CB 0.899 41.236 40.800 -0.773 0.000 1.447 221 D HN 0.454 nan 8.370 nan 0.000 0.524 222 Q N 0.578 119.989 119.800 -0.647 0.000 2.331 222 Q HA 0.582 4.921 4.340 -0.002 0.000 0.257 222 Q C -1.465 174.168 176.000 -0.612 0.000 0.957 222 Q CA -0.219 55.302 55.803 -0.471 0.000 0.923 222 Q CB 0.547 29.093 28.738 -0.321 0.000 1.212 222 Q HN 0.339 nan 8.270 nan 0.000 0.443 223 Y N 0.516 120.723 120.300 -0.155 0.000 2.406 223 Y HA 0.411 4.960 4.550 -0.001 0.000 0.340 223 Y C -0.092 175.704 175.900 -0.173 0.000 0.975 223 Y CA -1.576 56.452 58.100 -0.120 0.000 1.056 223 Y CB 1.829 40.253 38.460 -0.061 0.000 1.210 223 Y HN 0.863 nan 8.280 nan 0.000 0.448 224 H N 1.945 120.927 119.070 -0.146 0.000 3.034 224 H HA 0.139 4.694 4.556 -0.001 0.000 0.324 224 H C -0.891 174.156 175.328 -0.470 0.000 1.015 224 H CA 0.609 56.385 56.048 -0.453 0.000 1.429 224 H CB 0.124 29.308 29.762 -0.963 0.000 1.429 224 H HN 0.640 nan 8.280 nan 0.000 0.585 225 Y N 2.607 122.773 120.300 -0.223 0.000 2.638 225 Y HA 0.615 5.164 4.550 -0.001 0.000 0.339 225 Y C -1.588 174.455 175.900 0.239 0.000 1.084 225 Y CA -1.420 56.680 58.100 0.000 0.000 1.068 225 Y CB 1.555 40.030 38.460 0.025 0.000 1.294 225 Y HN 0.660 nan 8.280 nan 0.000 0.480 226 L N 3.343 124.114 121.223 -0.753 0.000 2.643 226 L HA 0.752 5.091 4.340 -0.002 0.000 0.256 226 L C -2.219 174.186 176.870 -0.775 0.000 0.931 226 L CA -0.733 53.831 54.840 -0.461 0.000 0.895 226 L CB 1.466 43.483 42.059 -0.070 0.000 1.430 226 L HN 0.970 nan 8.230 nan 0.000 0.419 227 L N 1.796 122.800 121.223 -0.365 0.000 2.325 227 L HA 0.709 5.047 4.340 -0.002 0.000 0.281 227 L C -0.773 176.042 176.870 -0.091 0.000 1.004 227 L CA -0.551 54.164 54.840 -0.209 0.000 0.823 227 L CB 1.427 43.471 42.059 -0.026 0.000 1.236 227 L HN 0.663 nan 8.230 nan 0.000 0.415 228 D N 2.093 122.450 120.400 -0.071 0.000 2.454 228 D HA 0.319 4.958 4.640 -0.002 0.000 0.225 228 D C 1.062 177.387 176.300 0.041 0.000 1.081 228 D CA -0.297 53.722 54.000 0.032 0.000 0.864 228 D CB 1.270 42.150 40.800 0.134 0.000 1.040 228 D HN 0.622 nan 8.370 nan 0.000 0.517 229 R N 2.590 123.112 120.500 0.038 0.000 2.148 229 R HA -0.052 4.287 4.340 -0.002 0.000 0.223 229 R C 1.232 177.555 176.300 0.039 0.000 1.088 229 R CA 0.639 56.759 56.100 0.033 0.000 0.985 229 R CB 0.209 30.526 30.300 0.028 0.000 0.880 229 R HN 0.307 nan 8.270 nan 0.000 0.451 230 N N 0.128 118.857 118.700 0.048 0.000 2.207 230 N HA -0.066 4.673 4.740 -0.002 0.000 0.182 230 N C 1.194 176.736 175.510 0.053 0.000 1.020 230 N CA 0.919 53.994 53.050 0.042 0.000 0.858 230 N CB 0.101 38.607 38.487 0.032 0.000 0.991 230 N HN 0.008 nan 8.380 nan 0.000 0.427 231 L N -0.366 120.909 121.223 0.086 0.000 2.375 231 L HA 0.228 4.567 4.340 -0.002 0.000 0.215 231 L C 0.355 177.280 176.870 0.092 0.000 1.108 231 L CA 0.442 55.346 54.840 0.107 0.000 0.830 231 L CB -0.384 41.790 42.059 0.192 0.000 0.959 231 L HN 0.030 nan 8.230 nan 0.000 0.457 232 S N -0.642 115.102 115.700 0.073 0.000 3.877 232 S HA -0.135 4.334 4.470 -0.002 0.000 0.520 232 S C -0.261 174.363 174.600 0.041 0.000 0.778 232 S CA 0.143 58.371 58.200 0.047 0.000 1.362 232 S CB -1.690 61.534 63.200 0.041 0.000 0.850 232 S HN 0.608 nan 8.310 nan 0.000 0.695 233 C N 2.623 121.933 119.300 0.016 0.000 3.284 233 C HA 0.796 5.255 4.460 -0.002 0.000 0.338 233 C C -0.553 174.376 174.990 -0.103 0.000 1.237 233 C CA -1.253 57.753 59.018 -0.019 0.000 1.276 233 C CB 1.517 29.264 27.740 0.011 0.000 1.601 233 C HN 0.782 nan 8.230 nan 0.000 0.494 234 R N 1.347 121.785 120.500 -0.103 0.000 2.474 234 R HA 0.829 5.168 4.340 -0.002 0.000 0.295 234 R C -1.135 175.057 176.300 -0.180 0.000 0.980 234 R CA -0.551 55.455 56.100 -0.157 0.000 0.934 234 R CB 1.900 32.219 30.300 0.032 0.000 1.101 234 R HN 0.660 nan 8.270 nan 0.000 0.469 235 V N 2.595 122.317 119.914 -0.319 0.000 2.656 235 V HA 0.481 4.600 4.120 -0.002 0.000 0.307 235 V C -0.718 175.446 176.094 0.117 0.000 1.051 235 V CA -0.838 61.362 62.300 -0.167 0.000 0.893 235 V CB 2.108 33.622 31.823 -0.514 0.000 0.999 235 V HN 0.528 nan 8.190 nan 0.000 0.426 236 V N 3.135 123.218 119.914 0.283 0.000 2.808 236 V HA 0.932 5.051 4.120 -0.002 0.000 0.308 236 V C 0.074 176.299 176.094 0.219 0.000 1.099 236 V CA 0.161 62.608 62.300 0.245 0.000 0.920 236 V CB 2.106 34.088 31.823 0.265 0.000 1.014 236 V HN 1.041 nan 8.190 nan 0.000 0.425 237 G N 4.253 113.060 108.800 0.011 0.000 2.388 237 G HA2 0.618 4.577 3.960 -0.002 0.000 0.330 237 G HA3 0.618 4.577 3.960 -0.002 0.000 0.330 237 G C -1.308 173.669 174.900 0.127 0.000 1.142 237 G CA -0.519 44.636 45.100 0.093 0.000 0.908 237 G HN 0.977 nan 8.290 nan 0.000 0.473 238 V N 4.422 124.436 119.914 0.167 0.000 2.385 238 V HA 0.317 4.436 4.120 -0.002 0.000 0.277 238 V C -2.045 174.191 176.094 0.237 0.000 1.012 238 V CA -1.454 60.939 62.300 0.155 0.000 0.832 238 V CB 1.673 33.463 31.823 -0.055 0.000 1.028 238 V HN 0.709 nan 8.190 nan 0.000 0.436 239 P HA 0.115 nan 4.420 nan 0.000 0.267 239 P C -1.092 176.416 177.300 0.347 0.000 1.200 239 P CA 0.184 63.442 63.100 0.264 0.000 0.772 239 P CB 0.895 32.718 31.700 0.205 0.000 0.855 240 Y N -0.058 120.474 120.300 0.386 0.000 2.458 240 Y HA 0.247 4.796 4.550 -0.002 0.000 0.322 240 Y C 1.283 177.328 175.900 0.241 0.000 1.259 240 Y CA -0.430 57.869 58.100 0.331 0.000 1.302 240 Y CB 0.604 39.237 38.460 0.288 0.000 1.314 240 Y HN 0.259 nan 8.280 nan 0.000 0.509 241 Q N 1.484 121.535 119.800 0.418 0.000 2.283 241 Q HA 0.365 4.704 4.340 -0.002 0.000 0.269 241 Q C 0.493 176.610 176.000 0.195 0.000 1.187 241 Q CA 1.068 57.024 55.803 0.254 0.000 0.922 241 Q CB -0.548 28.315 28.738 0.209 0.000 1.323 241 Q HN 0.831 nan 8.270 nan 0.000 0.432 242 G N 4.155 113.050 108.800 0.158 0.000 3.299 242 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.251 242 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.251 242 G C 0.734 175.698 174.900 0.107 0.000 1.741 242 G CA 0.140 45.298 45.100 0.097 0.000 1.151 242 G HN 0.598 nan 8.290 nan 0.000 0.561 243 N N 1.387 120.137 118.700 0.084 0.000 2.258 243 N HA 0.477 5.216 4.740 -0.002 0.000 0.183 243 N C 1.382 176.993 175.510 0.170 0.000 1.029 243 N CA 1.760 54.864 53.050 0.090 0.000 0.857 243 N CB -0.201 38.298 38.487 0.020 0.000 1.008 243 N HN 1.149 nan 8.380 nan 0.000 0.433 244 A N -0.650 122.323 122.820 0.256 0.000 2.351 244 A HA 0.477 4.796 4.320 -0.002 0.000 0.257 244 A C 0.061 177.937 177.584 0.487 0.000 1.087 244 A CA 0.095 52.342 52.037 0.350 0.000 0.798 244 A CB 0.295 19.523 19.000 0.380 0.000 1.033 244 A HN 0.262 nan 8.150 nan 0.000 0.488 245 T N -0.359 114.455 114.554 0.433 0.000 2.952 245 T HA 0.604 4.952 4.350 -0.002 0.000 0.305 245 T C -0.636 174.268 174.700 0.341 0.000 1.064 245 T CA 0.175 62.500 62.100 0.375 0.000 1.008 245 T CB 1.022 70.024 68.868 0.225 0.000 1.078 245 T HN 1.626 nan 8.240 nan 0.000 0.459 246 A N 4.807 127.805 122.820 0.297 0.000 2.301 246 A HA 0.816 5.135 4.320 -0.002 0.000 0.312 246 A C -0.594 176.944 177.584 -0.077 0.000 1.182 246 A CA -0.697 51.405 52.037 0.108 0.000 0.826 246 A CB 0.472 19.538 19.000 0.111 0.000 1.134 246 A HN 0.863 nan 8.150 nan 0.000 0.501 247 L N 2.226 123.368 121.223 -0.135 0.000 2.325 247 L HA 0.485 4.824 4.340 -0.002 0.000 0.281 247 L C -1.395 175.379 176.870 -0.160 0.000 1.004 247 L CA -0.107 54.719 54.840 -0.024 0.000 0.823 247 L CB 1.206 43.327 42.059 0.104 0.000 1.236 247 L HN 0.673 nan 8.230 nan 0.000 0.415 248 F N 4.051 124.119 119.950 0.196 0.000 2.402 248 F HA 0.469 4.995 4.527 -0.002 0.000 0.355 248 F C -0.060 175.943 175.800 0.337 0.000 1.123 248 F CA -0.647 57.446 58.000 0.154 0.000 1.021 248 F CB 1.503 40.217 39.000 -0.477 0.000 1.160 248 F HN 0.215 nan 8.300 nan 0.000 0.451 249 I N 4.837 125.752 120.570 0.576 0.000 2.339 249 I HA 0.279 4.448 4.170 -0.002 0.000 0.290 249 I C -0.786 175.619 176.117 0.479 0.000 0.994 249 I CA -0.531 60.989 61.300 0.367 0.000 1.191 249 I CB 1.412 39.513 38.000 0.169 0.000 1.343 249 I HN 0.364 nan 8.210 nan 0.000 0.458 250 L N 10.140 131.513 121.223 0.250 0.000 2.276 250 L HA 0.704 5.043 4.340 -0.002 0.000 0.286 250 L C -2.577 174.310 176.870 0.029 0.000 1.024 250 L CA -1.765 53.109 54.840 0.056 0.000 0.826 250 L CB 0.932 42.757 42.059 -0.391 0.000 1.211 250 L HN 0.297 nan 8.230 nan 0.000 0.422 251 P HA 0.354 nan 4.420 nan 0.000 0.282 251 P C -0.755 176.553 177.300 0.014 0.000 1.249 251 P CA -0.422 62.715 63.100 0.061 0.000 0.806 251 P CB 1.068 32.832 31.700 0.106 0.000 0.984 252 S N 1.399 117.104 115.700 0.008 0.000 2.576 252 S HA 0.035 4.504 4.470 -0.002 0.000 0.272 252 S C 0.247 174.842 174.600 -0.009 0.000 1.352 252 S CA -0.516 57.676 58.200 -0.012 0.000 1.021 252 S CB -0.155 63.043 63.200 -0.003 0.000 0.887 252 S HN 0.450 nan 8.310 nan 0.000 0.542 253 E N 0.916 121.098 120.200 -0.031 0.000 2.608 253 E HA 0.069 4.418 4.350 -0.002 0.000 0.259 253 E C 1.196 177.792 176.600 -0.007 0.000 0.951 253 E CA 0.712 57.093 56.400 -0.032 0.000 0.945 253 E CB -0.645 29.022 29.700 -0.054 0.000 0.916 253 E HN 1.025 nan 8.360 nan 0.000 0.477 254 G N 3.283 112.087 108.800 0.007 0.000 2.184 254 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.264 254 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.264 254 G C 0.801 175.723 174.900 0.036 0.000 0.975 254 G CA 0.728 45.841 45.100 0.021 0.000 0.642 254 G HN 0.432 nan 8.290 nan 0.000 0.536 255 K N -0.542 119.883 120.400 0.042 0.000 2.410 255 K HA 0.501 4.820 4.320 -0.002 0.000 0.200 255 K C 1.933 178.584 176.600 0.085 0.000 1.023 255 K CA 0.462 56.783 56.287 0.058 0.000 1.149 255 K CB 0.007 32.538 32.500 0.052 0.000 0.859 255 K HN 0.401 nan 8.250 nan 0.000 0.514 256 M N 0.756 120.413 119.600 0.095 0.000 2.065 256 M HA -0.220 4.259 4.480 -0.002 0.000 0.259 256 M C 2.000 178.384 176.300 0.140 0.000 1.071 256 M CA 1.923 57.301 55.300 0.130 0.000 1.109 256 M CB -0.422 32.257 32.600 0.133 0.000 1.313 256 M HN 0.162 nan 8.290 nan 0.000 0.408 257 Q N -0.067 119.803 119.800 0.117 0.000 2.181 257 Q HA -0.237 4.102 4.340 -0.002 0.000 0.205 257 Q C 2.107 178.173 176.000 0.110 0.000 0.980 257 Q CA 2.406 58.278 55.803 0.116 0.000 0.862 257 Q CB -0.509 28.280 28.738 0.086 0.000 0.905 257 Q HN 0.800 nan 8.270 nan 0.000 0.429 258 Q N -0.989 118.867 119.800 0.095 0.000 2.050 258 Q HA -0.126 4.213 4.340 -0.002 0.000 0.202 258 Q C 1.882 177.944 176.000 0.102 0.000 0.980 258 Q CA 1.889 57.742 55.803 0.084 0.000 0.840 258 Q CB -0.001 28.779 28.738 0.070 0.000 0.898 258 Q HN 0.355 nan 8.270 nan 0.000 0.424 259 V N 1.352 121.345 119.914 0.131 0.000 2.343 259 V HA -0.262 3.857 4.120 -0.002 0.000 0.247 259 V C 2.028 178.224 176.094 0.170 0.000 1.051 259 V CA 2.235 64.637 62.300 0.171 0.000 1.036 259 V CB -0.635 31.313 31.823 0.209 0.000 0.654 259 V HN 0.420 nan 8.190 nan 0.000 0.451 260 E N 0.410 120.721 120.200 0.184 0.000 2.077 260 E HA -0.228 4.121 4.350 -0.002 0.000 0.193 260 E C 2.003 178.709 176.600 0.177 0.000 0.989 260 E CA 1.626 58.160 56.400 0.224 0.000 0.800 260 E CB -0.318 29.574 29.700 0.321 0.000 0.746 260 E HN 0.720 nan 8.360 nan 0.000 0.452 261 N N -0.114 118.663 118.700 0.129 0.000 2.309 261 N HA -0.085 4.654 4.740 -0.002 0.000 0.182 261 N C 1.675 177.208 175.510 0.037 0.000 1.018 261 N CA 0.592 53.694 53.050 0.086 0.000 0.876 261 N CB 0.042 38.569 38.487 0.067 0.000 0.972 261 N HN 0.094 nan 8.380 nan 0.000 0.434 262 G N 0.308 109.121 108.800 0.022 0.000 3.042 262 G HA2 0.148 4.107 3.960 -0.002 0.000 0.212 262 G HA3 0.148 4.107 3.960 -0.002 0.000 0.212 262 G C 0.337 175.139 174.900 -0.164 0.000 1.166 262 G CA -0.301 44.769 45.100 -0.050 0.000 0.767 262 G HN 0.079 nan 8.290 nan 0.000 0.546 263 L N 2.156 123.292 121.223 -0.146 0.000 2.453 263 L HA 0.421 4.760 4.340 -0.002 0.000 0.272 263 L C 0.607 177.045 176.870 -0.720 0.000 1.182 263 L CA 0.053 54.666 54.840 -0.378 0.000 0.858 263 L CB 0.859 42.832 42.059 -0.142 0.000 1.120 263 L HN 0.321 nan 8.230 nan 0.000 0.474 264 S N -0.039 114.935 115.700 -1.210 0.000 2.663 264 S HA 0.089 4.558 4.470 -0.002 0.000 0.264 264 S C 0.178 174.263 174.600 -0.857 0.000 1.112 264 S CA -0.553 56.990 58.200 -1.094 0.000 0.823 264 S CB 1.330 64.273 63.200 -0.428 0.000 1.111 264 S HN 0.331 nan 8.310 nan 0.000 0.476 265 E N 0.578 120.623 120.200 -0.258 0.000 2.106 265 E HA -0.029 4.320 4.350 -0.002 0.000 0.192 265 E C 1.796 178.282 176.600 -0.190 0.000 0.984 265 E CA 1.411 57.779 56.400 -0.053 0.000 0.806 265 E CB -0.544 29.209 29.700 0.088 0.000 0.750 265 E HN 0.627 nan 8.360 nan 0.000 0.458 266 K N 0.155 120.428 120.400 -0.211 0.000 1.991 266 K HA -0.192 4.127 4.320 -0.002 0.000 0.212 266 K C 2.487 178.885 176.600 -0.337 0.000 1.049 266 K CA 2.006 58.164 56.287 -0.215 0.000 0.932 266 K CB -0.453 31.939 32.500 -0.180 0.000 0.717 266 K HN 0.242 nan 8.250 nan 0.000 0.441 267 T N 2.112 116.371 114.554 -0.491 0.000 2.684 267 T HA -0.178 4.171 4.350 -0.002 0.000 0.267 267 T C 1.697 175.784 174.700 -1.022 0.000 1.036 267 T CA 1.354 62.986 62.100 -0.780 0.000 1.148 267 T CB -0.288 68.014 68.868 -0.942 0.000 0.863 267 T HN 0.143 nan 8.240 nan 0.000 0.436 268 L N 1.382 122.101 121.223 -0.840 0.000 1.989 268 L HA -0.071 4.268 4.340 -0.002 0.000 0.211 268 L C 2.454 179.099 176.870 -0.375 0.000 1.071 268 L CA 1.779 56.237 54.840 -0.637 0.000 0.749 268 L CB -0.596 41.253 42.059 -0.349 0.000 0.890 268 L HN 0.101 nan 8.230 nan 0.000 0.431 269 R N -0.637 119.698 120.500 -0.275 0.000 2.096 269 R HA -0.191 4.148 4.340 -0.002 0.000 0.235 269 R C 2.366 178.564 176.300 -0.170 0.000 1.127 269 R CA 1.541 57.539 56.100 -0.170 0.000 0.968 269 R CB -0.336 29.892 30.300 -0.119 0.000 0.861 269 R HN 0.407 nan 8.270 nan 0.000 0.440 270 K N 0.105 120.363 120.400 -0.238 0.000 2.026 270 K HA -0.184 4.135 4.320 -0.002 0.000 0.208 270 K C 1.681 178.231 176.600 -0.084 0.000 1.048 270 K CA 1.366 57.551 56.287 -0.170 0.000 0.929 270 K CB -0.044 32.325 32.500 -0.219 0.000 0.713 270 K HN 0.166 nan 8.250 nan 0.000 0.439 271 W N 1.012 122.141 121.300 -0.284 0.000 2.358 271 W HA -0.147 4.512 4.660 -0.002 0.000 0.303 271 W C 1.793 177.935 176.519 -0.629 0.000 1.208 271 W CA 0.419 57.499 57.345 -0.441 0.000 1.274 271 W CB -0.740 28.407 29.460 -0.522 0.000 1.138 271 W HN 0.128 nan 8.180 nan 0.000 0.515 272 L N 0.317 121.389 121.223 -0.253 0.000 2.362 272 L HA -0.117 4.221 4.340 -0.002 0.000 0.219 272 L C 2.093 178.925 176.870 -0.064 0.000 1.134 272 L CA 1.459 56.151 54.840 -0.246 0.000 0.807 272 L CB -1.253 40.740 42.059 -0.111 0.000 0.927 272 L HN 0.098 nan 8.230 nan 0.000 0.447 273 K N -1.059 119.314 120.400 -0.046 0.000 2.284 273 K HA -0.042 4.277 4.320 -0.002 0.000 0.198 273 K C 1.999 178.633 176.600 0.058 0.000 1.048 273 K CA 0.287 56.585 56.287 0.017 0.000 0.987 273 K CB 0.312 32.810 32.500 -0.004 0.000 0.800 273 K HN 0.017 nan 8.250 nan 0.000 0.486 274 M N 0.321 119.947 119.600 0.043 0.000 2.288 274 M HA 0.100 4.579 4.480 -0.002 0.000 0.266 274 M C 0.134 176.557 176.300 0.206 0.000 1.072 274 M CA 0.623 55.978 55.300 0.092 0.000 1.132 274 M CB -0.070 32.573 32.600 0.070 0.000 1.386 274 M HN -0.016 nan 8.290 nan 0.000 0.432 275 F N 1.604 121.606 119.950 0.087 0.000 2.641 275 F HA 0.073 4.599 4.527 -0.001 0.000 0.350 275 F C 0.846 176.726 175.800 0.134 0.000 1.120 275 F CA 0.393 58.465 58.000 0.120 0.000 1.348 275 F CB 0.066 39.170 39.000 0.173 0.000 1.005 275 F HN 0.119 nan 8.300 nan 0.000 0.621 276 K N 2.410 122.984 120.400 0.290 0.000 2.569 276 K HA 0.438 4.757 4.320 -0.002 0.000 0.259 276 K C -0.836 175.764 176.600 -0.001 0.000 0.932 276 K CA -1.060 55.306 56.287 0.132 0.000 0.833 276 K CB 1.374 33.954 32.500 0.133 0.000 1.340 276 K HN 0.402 nan 8.250 nan 0.000 0.429 277 K N 1.128 121.457 120.400 -0.118 0.000 2.276 277 K HA 0.737 5.056 4.320 -0.002 0.000 0.259 277 K C 0.420 176.959 176.600 -0.102 0.000 1.001 277 K CA 0.220 56.377 56.287 -0.217 0.000 0.927 277 K CB 0.825 33.176 32.500 -0.248 0.000 0.969 277 K HN 1.209 nan 8.250 nan 0.000 0.490 278 R N -1.001 119.427 120.500 -0.119 0.000 3.012 278 R HA 0.191 4.529 4.340 -0.002 0.000 0.287 278 R C -1.726 174.507 176.300 -0.112 0.000 0.990 278 R CA -0.998 55.049 56.100 -0.089 0.000 0.839 278 R CB 0.592 30.862 30.300 -0.051 0.000 1.317 278 R HN 0.430 nan 8.270 nan 0.000 0.518 279 Q N 1.259 120.996 119.800 -0.105 0.000 2.286 279 Q HA 0.627 4.966 4.340 -0.002 0.000 0.257 279 Q C -1.235 174.714 176.000 -0.086 0.000 0.941 279 Q CA -0.063 55.677 55.803 -0.106 0.000 0.912 279 Q CB 1.156 29.838 28.738 -0.094 0.000 1.192 279 Q HN 0.543 nan 8.270 nan 0.000 0.410 280 L N 2.404 123.608 121.223 -0.033 0.000 2.465 280 L HA 0.445 4.784 4.340 -0.002 0.000 0.257 280 L C -0.848 176.037 176.870 0.025 0.000 0.988 280 L CA -0.667 54.170 54.840 -0.004 0.000 0.827 280 L CB 2.588 44.688 42.059 0.069 0.000 1.397 280 L HN 0.602 nan 8.230 nan 0.000 0.410 281 E N 2.246 122.417 120.200 -0.048 0.000 2.103 281 E HA 0.287 4.636 4.350 -0.002 0.000 0.254 281 E C -1.246 175.227 176.600 -0.211 0.000 0.940 281 E CA -0.716 55.609 56.400 -0.126 0.000 0.771 281 E CB 1.367 30.998 29.700 -0.114 0.000 1.153 281 E HN 0.199 nan 8.360 nan 0.000 0.428 282 L N 4.347 125.447 121.223 -0.205 0.000 2.290 282 L HA 0.263 4.602 4.340 -0.002 0.000 0.284 282 L C -1.504 175.161 176.870 -0.341 0.000 1.078 282 L CA -0.163 54.532 54.840 -0.242 0.000 0.815 282 L CB 0.227 42.060 42.059 -0.377 0.000 1.162 282 L HN 0.351 nan 8.230 nan 0.000 0.435 283 Y N 6.062 126.342 120.300 -0.032 0.000 2.376 283 Y HA 0.571 5.119 4.550 -0.002 0.000 0.326 283 Y C -0.669 175.184 175.900 -0.079 0.000 0.970 283 Y CA -0.592 57.480 58.100 -0.046 0.000 1.248 283 Y CB 1.576 40.022 38.460 -0.024 0.000 1.117 283 Y HN 0.487 nan 8.280 nan 0.000 0.476 284 L N 7.012 128.164 121.223 -0.118 0.000 2.362 284 L HA 0.739 5.078 4.340 -0.002 0.000 0.275 284 L C -2.805 173.945 176.870 -0.199 0.000 0.998 284 L CA -2.474 52.171 54.840 -0.324 0.000 0.820 284 L CB 1.928 43.574 42.059 -0.688 0.000 1.270 284 L HN 0.231 nan 8.230 nan 0.000 0.415 285 P HA 0.104 nan 4.420 nan 0.000 0.271 285 P C -1.466 175.980 177.300 0.243 0.000 1.218 285 P CA -0.278 62.878 63.100 0.094 0.000 0.780 285 P CB 0.447 32.204 31.700 0.094 0.000 0.901 286 K N 3.969 124.476 120.400 0.177 0.000 2.227 286 K HA 0.485 4.804 4.320 -0.002 0.000 0.280 286 K C -0.877 175.885 176.600 0.270 0.000 1.041 286 K CA -0.300 56.072 56.287 0.142 0.000 0.905 286 K CB 0.035 32.565 32.500 0.050 0.000 1.068 286 K HN 0.552 nan 8.250 nan 0.000 0.470 287 F N -1.144 118.799 119.950 -0.011 0.000 2.770 287 F HA 0.386 4.912 4.527 -0.002 0.000 0.313 287 F C -1.520 174.251 175.800 -0.048 0.000 1.154 287 F CA -1.047 56.932 58.000 -0.036 0.000 0.923 287 F CB 1.066 40.037 39.000 -0.049 0.000 1.301 287 F HN 0.158 nan 8.300 nan 0.000 0.449 288 S N 2.115 117.785 115.700 -0.050 0.000 2.482 288 S HA 0.760 5.229 4.470 -0.002 0.000 0.303 288 S C -1.214 173.364 174.600 -0.036 0.000 1.091 288 S CA -0.665 57.442 58.200 -0.155 0.000 1.057 288 S CB 1.567 64.721 63.200 -0.077 0.000 1.031 288 S HN 0.791 nan 8.310 nan 0.000 0.485 289 I N 3.205 123.655 120.570 -0.199 0.000 2.533 289 I HA 0.534 4.702 4.170 -0.002 0.000 0.290 289 I C -1.131 174.760 176.117 -0.377 0.000 1.056 289 I CA -0.500 60.655 61.300 -0.242 0.000 1.057 289 I CB 1.487 39.304 38.000 -0.304 0.000 1.240 289 I HN 0.830 nan 8.210 nan 0.000 0.423 290 E N 5.701 125.821 120.200 -0.133 0.000 2.393 290 E HA 0.784 5.133 4.350 -0.002 0.000 0.273 290 E C -1.336 175.359 176.600 0.158 0.000 0.918 290 E CA -1.120 55.297 56.400 0.029 0.000 0.773 290 E CB 2.373 32.093 29.700 0.035 0.000 1.275 290 E HN 0.681 nan 8.360 nan 0.000 0.451 291 G N 0.199 109.158 108.800 0.264 0.000 2.707 291 G HA2 0.453 4.412 3.960 -0.002 0.000 0.299 291 G HA3 0.453 4.412 3.960 -0.002 0.000 0.299 291 G C -1.467 173.336 174.900 -0.162 0.000 1.442 291 G CA -0.650 44.533 45.100 0.138 0.000 1.009 291 G HN 0.328 nan 8.290 nan 0.000 0.515 292 S N 1.282 116.607 115.700 -0.624 0.000 2.659 292 S HA 0.773 5.242 4.470 -0.002 0.000 0.312 292 S C -1.326 172.847 174.600 -0.712 0.000 1.114 292 S CA -0.593 57.346 58.200 -0.434 0.000 1.063 292 S CB 0.344 63.419 63.200 -0.207 0.000 0.996 292 S HN 0.441 nan 8.310 nan 0.000 0.478 293 Y N 1.742 122.109 120.300 0.113 0.000 2.545 293 Y HA 0.497 5.046 4.550 -0.002 0.000 0.348 293 Y C 0.017 175.946 175.900 0.047 0.000 1.002 293 Y CA -1.074 57.067 58.100 0.068 0.000 1.039 293 Y CB 1.405 39.896 38.460 0.051 0.000 1.271 293 Y HN 0.378 nan 8.280 nan 0.000 0.467 294 Q N 2.959 122.851 119.800 0.153 0.000 2.509 294 Q HA 0.290 4.629 4.340 -0.002 0.000 0.230 294 Q C 0.492 176.484 176.000 -0.014 0.000 1.089 294 Q CA -0.056 55.773 55.803 0.043 0.000 0.901 294 Q CB 1.108 29.841 28.738 -0.008 0.000 1.208 294 Q HN 0.866 nan 8.270 nan 0.000 0.529 295 L N 1.256 122.473 121.223 -0.010 0.000 2.450 295 L HA -0.180 4.159 4.340 -0.002 0.000 0.224 295 L C 2.113 178.818 176.870 -0.275 0.000 1.149 295 L CA 0.817 55.610 54.840 -0.078 0.000 0.816 295 L CB -0.174 41.893 42.059 0.013 0.000 0.932 295 L HN 0.501 nan 8.230 nan 0.000 0.449 296 E N 0.899 120.792 120.200 -0.512 0.000 2.427 296 E HA -0.184 4.165 4.350 -0.002 0.000 0.196 296 E C 1.268 177.511 176.600 -0.595 0.000 1.028 296 E CA 0.810 56.512 56.400 -1.163 0.000 0.864 296 E CB -0.021 29.013 29.700 -1.110 0.000 0.813 296 E HN 0.462 nan 8.360 nan 0.000 0.514 297 K N 0.248 120.463 120.400 -0.309 0.000 2.367 297 K HA 0.154 4.473 4.320 -0.002 0.000 0.194 297 K C 1.606 178.127 176.600 -0.132 0.000 1.027 297 K CA 0.309 56.490 56.287 -0.177 0.000 1.075 297 K CB 1.108 33.539 32.500 -0.115 0.000 0.845 297 K HN -0.010 nan 8.250 nan 0.000 0.529 298 V N 0.059 119.887 119.914 -0.144 0.000 3.250 298 V HA 0.083 4.202 4.120 -0.002 0.000 0.240 298 V C 1.336 177.378 176.094 -0.087 0.000 1.275 298 V CA 0.241 62.465 62.300 -0.127 0.000 1.206 298 V CB 0.237 31.951 31.823 -0.183 0.000 0.976 298 V HN 0.161 nan 8.190 nan 0.000 0.467 299 L N 0.865 122.067 121.223 -0.035 0.000 2.131 299 L HA -0.063 4.276 4.340 -0.002 0.000 0.210 299 L C -0.404 176.554 176.870 0.147 0.000 1.092 299 L CA 1.714 56.615 54.840 0.101 0.000 0.759 299 L CB -1.548 40.667 42.059 0.261 0.000 0.903 299 L HN 0.365 nan 8.230 nan 0.000 0.435 300 P HA -0.143 nan 4.420 nan 0.000 0.217 300 P C 1.756 179.098 177.300 0.070 0.000 1.150 300 P CA 1.561 64.741 63.100 0.134 0.000 0.832 300 P CB -0.000 31.773 31.700 0.123 0.000 0.787 301 S N -1.199 114.517 115.700 0.026 0.000 2.507 301 S HA -0.033 4.436 4.470 -0.002 0.000 0.235 301 S C 1.433 176.039 174.600 0.010 0.000 0.988 301 S CA 0.811 59.014 58.200 0.005 0.000 0.944 301 S CB -1.230 61.954 63.200 -0.027 0.000 0.762 301 S HN 0.113 nan 8.310 nan 0.000 0.526 302 L N 0.477 121.720 121.223 0.033 0.000 2.769 302 L HA 0.427 4.766 4.340 -0.002 0.000 0.240 302 L C 1.764 178.716 176.870 0.136 0.000 1.163 302 L CA 0.278 55.155 54.840 0.062 0.000 0.962 302 L CB -0.151 41.921 42.059 0.020 0.000 1.258 302 L HN 0.565 nan 8.230 nan 0.000 0.513 303 G N 0.838 109.700 108.800 0.103 0.000 2.254 303 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.225 303 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.225 303 G C 0.285 175.238 174.900 0.088 0.000 1.003 303 G CA -0.404 44.751 45.100 0.092 0.000 0.622 303 G HN 0.225 nan 8.290 nan 0.000 0.507 304 I N 3.052 123.697 120.570 0.125 0.000 2.282 304 I HA 0.379 4.548 4.170 -0.002 0.000 0.290 304 I C 1.390 177.586 176.117 0.133 0.000 1.090 304 I CA 0.407 61.759 61.300 0.087 0.000 1.231 304 I CB 1.184 39.242 38.000 0.096 0.000 1.434 304 I HN 0.288 nan 8.210 nan 0.000 0.487 305 S N 2.248 117.991 115.700 0.072 0.000 2.830 305 S HA 0.036 4.505 4.470 -0.002 0.000 0.249 305 S C 1.417 176.039 174.600 0.037 0.000 1.084 305 S CA -0.187 58.093 58.200 0.134 0.000 0.852 305 S CB -0.093 63.176 63.200 0.115 0.000 0.802 305 S HN 0.484 nan 8.310 nan 0.000 0.481 306 N N 2.487 121.176 118.700 -0.019 0.000 2.091 306 N HA -0.087 4.652 4.740 -0.002 0.000 0.193 306 N C 1.628 177.061 175.510 -0.128 0.000 1.021 306 N CA 1.371 54.409 53.050 -0.019 0.000 0.862 306 N CB -1.021 37.473 38.487 0.011 0.000 1.018 306 N HN 0.326 nan 8.380 nan 0.000 0.429 307 V N -0.207 119.505 119.914 -0.335 0.000 2.828 307 V HA -0.176 3.943 4.120 -0.002 0.000 0.260 307 V C 0.507 176.281 176.094 -0.534 0.000 1.101 307 V CA 1.451 63.449 62.300 -0.503 0.000 1.123 307 V CB -0.516 30.888 31.823 -0.700 0.000 0.704 307 V HN 0.201 nan 8.190 nan 0.000 0.493 308 F N 0.078 120.032 119.950 0.005 0.000 2.678 308 F HA 0.293 4.818 4.527 -0.002 0.000 0.305 308 F C 1.274 177.078 175.800 0.007 0.000 1.090 308 F CA 0.216 58.217 58.000 0.002 0.000 1.272 308 F CB -0.652 38.350 39.000 0.003 0.000 1.060 308 F HN 0.219 nan 8.300 nan 0.000 0.576 309 T N -3.533 111.094 114.554 0.121 0.000 2.923 309 T HA 0.275 4.624 4.350 -0.002 0.000 0.281 309 T C 1.299 176.043 174.700 0.074 0.000 0.995 309 T CA -0.393 61.769 62.100 0.103 0.000 0.985 309 T CB 1.513 70.444 68.868 0.106 0.000 1.114 309 T HN -0.072 nan 8.240 nan 0.000 0.548 310 S N -0.524 115.222 115.700 0.077 0.000 2.481 310 S HA -0.075 4.394 4.470 -0.002 0.000 0.231 310 S C 1.397 176.039 174.600 0.070 0.000 0.996 310 S CA 0.344 58.580 58.200 0.061 0.000 0.942 310 S CB -0.595 62.639 63.200 0.058 0.000 0.768 310 S HN 0.842 nan 8.310 nan 0.000 0.520 311 H N 1.325 120.393 119.070 -0.004 0.000 2.526 311 H HA 0.472 5.027 4.556 -0.002 0.000 0.274 311 H C 0.638 175.948 175.328 -0.030 0.000 0.999 311 H CA -0.035 56.005 56.048 -0.014 0.000 1.157 311 H CB -0.226 29.529 29.762 -0.011 0.000 1.407 311 H HN 0.326 nan 8.280 nan 0.000 0.568 312 A N 1.215 124.000 122.820 -0.058 0.000 2.540 312 A HA -0.018 4.301 4.320 -0.002 0.000 0.239 312 A C -0.036 177.439 177.584 -0.180 0.000 1.061 312 A CA 0.168 52.137 52.037 -0.112 0.000 0.758 312 A CB 0.034 18.978 19.000 -0.094 0.000 0.991 312 A HN 0.478 nan 8.150 nan 0.000 0.502 313 D N 2.496 122.786 120.400 -0.183 0.000 2.473 313 D HA 0.407 5.046 4.640 -0.002 0.000 0.226 313 D C -0.326 175.883 176.300 -0.151 0.000 1.089 313 D CA -0.079 53.815 54.000 -0.176 0.000 0.883 313 D CB 0.282 40.980 40.800 -0.170 0.000 1.029 313 D HN 0.382 nan 8.370 nan 0.000 0.517 314 L N 2.974 124.106 121.223 -0.150 0.000 3.154 314 L HA 0.099 4.438 4.340 -0.002 0.000 0.266 314 L C 1.664 178.425 176.870 -0.182 0.000 1.300 314 L CA -0.182 54.548 54.840 -0.183 0.000 1.028 314 L CB 0.319 42.264 42.059 -0.190 0.000 1.412 314 L HN 0.272 nan 8.230 nan 0.000 0.564 315 S N -1.497 114.120 115.700 -0.139 0.000 2.537 315 S HA -0.086 4.383 4.470 -0.002 0.000 0.240 315 S C 1.793 176.320 174.600 -0.121 0.000 0.981 315 S CA 0.852 58.985 58.200 -0.112 0.000 0.948 315 S CB -0.178 62.971 63.200 -0.085 0.000 0.759 315 S HN 0.519 nan 8.310 nan 0.000 0.531 316 G N 1.023 109.723 108.800 -0.167 0.000 2.683 316 G HA2 0.252 4.211 3.960 -0.002 0.000 0.213 316 G HA3 0.252 4.211 3.960 -0.002 0.000 0.213 316 G C 1.215 175.951 174.900 -0.274 0.000 1.142 316 G CA 0.128 45.135 45.100 -0.155 0.000 0.793 316 G HN 0.561 nan 8.290 nan 0.000 0.534 317 I N -0.499 119.789 120.570 -0.470 0.000 2.494 317 I HA 0.153 4.322 4.170 -0.002 0.000 0.250 317 I C 1.065 177.036 176.117 -0.244 0.000 1.112 317 I CA 0.543 61.436 61.300 -0.678 0.000 1.438 317 I CB 0.420 37.912 38.000 -0.846 0.000 1.111 317 I HN 0.189 nan 8.210 nan 0.000 0.431 318 S N -0.100 115.503 115.700 -0.163 0.000 2.565 318 S HA 0.195 4.664 4.470 -0.002 0.000 0.269 318 S C -0.115 174.469 174.600 -0.026 0.000 1.153 318 S CA -0.784 57.385 58.200 -0.052 0.000 0.835 318 S CB 1.065 64.257 63.200 -0.014 0.000 1.122 318 S HN 0.433 nan 8.310 nan 0.000 0.462 319 N N 1.228 119.934 118.700 0.010 0.000 2.336 319 N HA -0.020 4.719 4.740 -0.002 0.000 0.189 319 N C 0.402 175.919 175.510 0.011 0.000 1.113 319 N CA -0.420 52.629 53.050 -0.002 0.000 0.858 319 N CB -0.219 38.266 38.487 -0.005 0.000 0.970 319 N HN 0.619 nan 8.380 nan 0.000 0.471 320 H N 1.483 120.530 119.070 -0.038 0.000 2.871 320 H HA 0.118 4.673 4.556 -0.002 0.000 0.355 320 H C -0.387 174.920 175.328 -0.035 0.000 1.092 320 H CA 0.540 56.571 56.048 -0.027 0.000 1.420 320 H CB 1.309 31.061 29.762 -0.017 0.000 1.400 320 H HN 0.045 nan 8.280 nan 0.000 0.604 321 S N 1.283 116.818 115.700 -0.275 0.000 2.632 321 S HA 0.232 4.701 4.470 -0.002 0.000 0.271 321 S C 0.551 175.191 174.600 0.067 0.000 1.260 321 S CA 0.304 58.445 58.200 -0.099 0.000 1.010 321 S CB 0.563 63.671 63.200 -0.155 0.000 0.965 321 S HN 0.937 nan 8.310 nan 0.000 0.534 322 N N 0.470 119.192 118.700 0.036 0.000 2.738 322 N HA -0.185 4.554 4.740 -0.002 0.000 0.249 322 N C -0.280 175.279 175.510 0.082 0.000 1.047 322 N CA 1.326 54.410 53.050 0.056 0.000 0.707 322 N CB -2.322 36.202 38.487 0.061 0.000 0.937 322 N HN 0.771 nan 8.380 nan 0.000 0.545 323 I N -3.551 117.052 120.570 0.056 0.000 2.474 323 I HA 0.837 5.006 4.170 -0.002 0.000 0.294 323 I C -0.062 176.048 176.117 -0.012 0.000 1.005 323 I CA -0.916 60.401 61.300 0.028 0.000 1.113 323 I CB 2.085 40.098 38.000 0.021 0.000 1.289 323 I HN 0.525 nan 8.210 nan 0.000 0.436 324 Q N 4.536 124.332 119.800 -0.007 0.000 2.590 324 Q HA 0.449 4.788 4.340 -0.002 0.000 0.295 324 Q C -1.577 174.436 176.000 0.021 0.000 0.973 324 Q CA -0.948 54.850 55.803 -0.009 0.000 0.768 324 Q CB 2.196 30.948 28.738 0.023 0.000 1.479 324 Q HN 0.552 nan 8.270 nan 0.000 0.419 325 V N 2.603 122.550 119.914 0.054 0.000 2.415 325 V HA 0.062 4.181 4.120 -0.002 0.000 0.267 325 V C 1.060 177.278 176.094 0.207 0.000 1.042 325 V CA 0.519 62.903 62.300 0.141 0.000 1.000 325 V CB 0.588 32.538 31.823 0.212 0.000 1.015 325 V HN 0.883 nan 8.190 nan 0.000 0.478 326 S N 3.839 119.585 115.700 0.077 0.000 2.371 326 S HA 0.035 4.504 4.470 -0.002 0.000 0.224 326 S C 0.541 175.147 174.600 0.010 0.000 1.029 326 S CA 0.751 58.960 58.200 0.014 0.000 0.978 326 S CB 0.090 63.228 63.200 -0.103 0.000 0.833 326 S HN 0.841 nan 8.310 nan 0.000 0.466 327 E N -0.273 119.946 120.200 0.031 0.000 2.321 327 E HA 0.390 4.739 4.350 -0.002 0.000 0.278 327 E C -1.479 175.178 176.600 0.096 0.000 0.902 327 E CA -0.106 56.306 56.400 0.020 0.000 0.758 327 E CB 2.088 31.788 29.700 -0.000 0.000 1.213 327 E HN 0.087 nan 8.360 nan 0.000 0.426 328 M N 4.156 123.807 119.600 0.085 0.000 2.006 328 M HA 0.331 4.810 4.480 -0.002 0.000 0.314 328 M C -1.760 174.621 176.300 0.135 0.000 0.926 328 M CA -0.672 54.719 55.300 0.152 0.000 0.906 328 M CB 0.878 33.608 32.600 0.216 0.000 1.422 328 M HN 0.212 nan 8.290 nan 0.000 0.397 329 V N 4.104 124.119 119.914 0.169 0.000 2.439 329 V HA 0.337 4.456 4.120 -0.002 0.000 0.282 329 V C -0.584 175.666 176.094 0.260 0.000 1.039 329 V CA -0.488 61.923 62.300 0.186 0.000 0.913 329 V CB 1.307 33.226 31.823 0.160 0.000 0.983 329 V HN 0.760 nan 8.190 nan 0.000 0.460 330 H N 4.246 123.421 119.070 0.175 0.000 2.524 330 H HA 0.757 5.311 4.556 -0.002 0.000 0.353 330 H C -0.668 174.802 175.328 0.237 0.000 1.136 330 H CA -0.887 55.288 56.048 0.211 0.000 1.193 330 H CB 1.621 31.519 29.762 0.226 0.000 1.558 330 H HN 0.590 nan 8.280 nan 0.000 0.515 331 K N 3.401 123.583 120.400 -0.365 0.000 2.588 331 K HA 0.709 5.028 4.320 -0.002 0.000 0.250 331 K C -2.128 174.389 176.600 -0.138 0.000 0.972 331 K CA -0.344 55.848 56.287 -0.158 0.000 0.821 331 K CB 1.279 33.811 32.500 0.054 0.000 1.249 331 K HN 0.687 nan 8.250 nan 0.000 0.442 332 A N 3.109 125.958 122.820 0.048 0.000 2.343 332 A HA 0.793 5.111 4.320 -0.002 0.000 0.316 332 A C -1.340 176.512 177.584 0.448 0.000 1.104 332 A CA -0.688 51.555 52.037 0.343 0.000 0.768 332 A CB 1.508 20.805 19.000 0.494 0.000 1.213 332 A HN 0.407 nan 8.150 nan 0.000 0.456 333 V N 2.605 122.745 119.914 0.376 0.000 2.623 333 V HA 0.593 4.712 4.120 -0.002 0.000 0.304 333 V C -0.682 175.338 176.094 -0.124 0.000 1.054 333 V CA -0.508 61.887 62.300 0.159 0.000 0.882 333 V CB 1.624 33.603 31.823 0.260 0.000 1.002 333 V HN 0.732 nan 8.190 nan 0.000 0.424 334 V N 3.957 123.661 119.914 -0.351 0.000 2.789 334 V HA 0.547 4.666 4.120 -0.002 0.000 0.311 334 V C -0.586 175.230 176.094 -0.464 0.000 1.073 334 V CA -0.610 61.389 62.300 -0.503 0.000 0.921 334 V CB 2.462 33.972 31.823 -0.522 0.000 1.009 334 V HN 0.958 nan 8.190 nan 0.000 0.426 335 E N 2.607 122.538 120.200 -0.447 0.000 2.199 335 E HA 0.685 5.034 4.350 -0.002 0.000 0.269 335 E C -1.560 174.834 176.600 -0.343 0.000 0.899 335 E CA -0.646 55.540 56.400 -0.356 0.000 0.772 335 E CB 2.769 32.343 29.700 -0.209 0.000 1.155 335 E HN 0.372 nan 8.360 nan 0.000 0.408 336 V N 3.492 123.160 119.914 -0.410 0.000 2.487 336 V HA 0.322 4.441 4.120 -0.002 0.000 0.298 336 V C -0.543 175.493 176.094 -0.096 0.000 1.028 336 V CA -0.501 61.654 62.300 -0.241 0.000 0.860 336 V CB 1.484 33.102 31.823 -0.341 0.000 0.991 336 V HN 0.827 nan 8.190 nan 0.000 0.427 337 D N 2.674 123.132 120.400 0.097 0.000 3.057 337 D HA 0.316 4.955 4.640 -0.002 0.000 0.328 337 D C 0.460 176.985 176.300 0.376 0.000 1.317 337 D CA -0.553 53.532 54.000 0.143 0.000 0.973 337 D CB 0.965 41.808 40.800 0.071 0.000 1.424 337 D HN 0.201 nan 8.370 nan 0.000 0.569 338 E N -0.029 120.362 120.200 0.318 0.000 2.112 338 E HA 0.147 4.496 4.350 -0.002 0.000 0.190 338 E C 0.247 177.168 176.600 0.535 0.000 0.979 338 E CA 0.473 57.183 56.400 0.517 0.000 0.814 338 E CB -0.238 29.678 29.700 0.361 0.000 0.762 338 E HN 0.321 nan 8.360 nan 0.000 0.460 339 S N 0.662 116.558 115.700 0.325 0.000 2.953 339 S HA 0.232 4.701 4.470 -0.002 0.000 0.348 339 S C 0.338 175.109 174.600 0.285 0.000 1.215 339 S CA 0.562 58.905 58.200 0.238 0.000 1.019 339 S CB 0.064 63.344 63.200 0.132 0.000 0.726 339 S HN 0.434 nan 8.310 nan 0.000 0.503 340 G N 1.972 110.910 108.800 0.231 0.000 2.731 340 G HA2 0.798 4.756 3.960 -0.002 0.000 0.309 340 G HA3 0.798 4.756 3.960 -0.002 0.000 0.309 340 G C -0.772 174.215 174.900 0.146 0.000 1.273 340 G CA -0.044 45.192 45.100 0.228 0.000 0.798 340 G HN 0.847 nan 8.290 nan 0.000 0.509 361 Q N 1.589 121.343 119.800 -0.076 0.000 3.429 361 Q HA 0.248 4.587 4.340 -0.002 0.000 0.237 361 Q C -1.042 174.910 176.000 -0.080 0.000 0.932 361 Q CA -0.287 55.470 55.803 -0.077 0.000 0.731 361 Q CB 0.686 29.361 28.738 -0.105 0.000 1.383 361 Q HN 0.537 nan 8.270 nan 0.000 0.446 362 R N 0.795 121.279 120.500 -0.026 0.000 2.478 362 R HA -0.106 4.233 4.340 -0.002 0.000 0.281 362 R C -0.237 176.059 176.300 -0.006 0.000 0.939 362 R CA 0.457 56.571 56.100 0.024 0.000 1.120 362 R CB 0.207 30.586 30.300 0.131 0.000 0.885 362 R HN 0.239 nan 8.270 nan 0.000 0.415 363 L N 4.991 126.209 121.223 -0.007 0.000 2.294 363 L HA 0.361 4.700 4.340 -0.002 0.000 0.283 363 L C -1.091 175.779 176.870 -0.000 0.000 1.015 363 L CA -0.398 54.407 54.840 -0.058 0.000 0.831 363 L CB 1.789 43.827 42.059 -0.035 0.000 1.217 363 L HN 0.369 nan 8.230 nan 0.000 0.420 364 V N 6.369 126.222 119.914 -0.102 0.000 2.444 364 V HA 0.481 4.600 4.120 -0.002 0.000 0.294 364 V C -0.808 175.124 176.094 -0.270 0.000 1.022 364 V CA -0.337 61.942 62.300 -0.035 0.000 0.850 364 V CB 1.364 33.160 31.823 -0.045 0.000 0.992 364 V HN 0.583 nan 8.190 nan 0.000 0.426 365 F N 6.982 126.828 119.950 -0.173 0.000 2.605 365 F HA 0.354 4.879 4.527 -0.002 0.000 0.352 365 F C 1.355 177.076 175.800 -0.132 0.000 1.236 365 F CA -0.210 57.611 58.000 -0.298 0.000 1.267 365 F CB -0.010 38.542 39.000 -0.747 0.000 1.632 365 F HN 0.762 nan 8.300 nan 0.000 0.639 366 N N 1.111 119.722 118.700 -0.148 0.000 2.416 366 N HA 0.219 4.957 4.740 -0.002 0.000 0.267 366 N C -0.006 175.014 175.510 -0.817 0.000 1.294 366 N CA -0.592 52.279 53.050 -0.299 0.000 0.891 366 N CB 0.859 39.288 38.487 -0.096 0.000 1.238 366 N HN 0.384 nan 8.380 nan 0.000 0.508 367 R N 0.877 120.886 120.500 -0.817 0.000 2.663 367 R HA 0.346 4.685 4.340 -0.002 0.000 0.267 367 R C -3.172 173.081 176.300 -0.078 0.000 1.038 367 R CA -1.397 54.354 56.100 -0.582 0.000 0.886 367 R CB 1.642 31.795 30.300 -0.245 0.000 1.249 367 R HN -0.108 nan 8.270 nan 0.000 0.463 368 P HA -0.047 nan 4.420 nan 0.000 0.263 368 P C -1.205 176.388 177.300 0.487 0.000 1.168 368 P CA 0.642 63.982 63.100 0.400 0.000 0.759 368 P CB 0.078 31.924 31.700 0.243 0.000 0.782 369 F N 1.274 121.418 119.950 0.323 0.000 2.643 369 F HA 0.685 5.211 4.527 -0.001 0.000 0.314 369 F C -1.582 174.421 175.800 0.338 0.000 1.096 369 F CA -1.658 56.558 58.000 0.360 0.000 0.953 369 F CB 0.380 39.733 39.000 0.589 0.000 1.345 369 F HN -0.076 nan 8.300 nan 0.000 0.468 370 L N 2.813 124.324 121.223 0.481 0.000 2.375 370 L HA 0.712 5.051 4.340 -0.002 0.000 0.268 370 L C -0.155 176.992 176.870 0.462 0.000 1.058 370 L CA -0.962 54.082 54.840 0.340 0.000 0.803 370 L CB 1.499 43.763 42.059 0.343 0.000 1.212 370 L HN 0.934 nan 8.230 nan 0.000 0.451 371 M N 0.976 120.764 119.600 0.312 0.000 2.322 371 M HA 0.626 5.105 4.480 -0.002 0.000 0.286 371 M C -2.012 174.398 176.300 0.184 0.000 1.111 371 M CA -0.379 55.124 55.300 0.337 0.000 0.941 371 M CB 2.234 35.093 32.600 0.432 0.000 1.671 371 M HN 0.165 nan 8.290 nan 0.000 0.470 372 F N 3.010 122.991 119.950 0.051 0.000 2.561 372 F HA 0.775 5.301 4.527 -0.002 0.000 0.321 372 F C -0.485 175.336 175.800 0.034 0.000 1.065 372 F CA -0.826 57.205 58.000 0.052 0.000 0.934 372 F CB 2.256 41.315 39.000 0.098 0.000 1.215 372 F HN 0.531 nan 8.300 nan 0.000 0.471 373 I N 3.550 124.272 120.570 0.254 0.000 2.468 373 I HA 0.469 4.638 4.170 -0.002 0.000 0.284 373 I C -1.243 174.970 176.117 0.161 0.000 1.038 373 I CA -0.818 60.606 61.300 0.207 0.000 1.083 373 I CB 1.625 39.723 38.000 0.163 0.000 1.223 373 I HN 0.384 nan 8.210 nan 0.000 0.443 374 V N 2.557 122.577 119.914 0.177 0.000 3.040 374 V HA 0.781 4.900 4.120 -0.002 0.000 0.312 374 V C -1.058 175.111 176.094 0.125 0.000 1.115 374 V CA -0.406 61.972 62.300 0.130 0.000 0.998 374 V CB 2.129 34.033 31.823 0.136 0.000 1.042 374 V HN 0.740 nan 8.190 nan 0.000 0.433 375 D N 0.952 121.404 120.400 0.087 0.000 3.849 375 D HA 0.287 4.926 4.640 -0.002 0.000 0.211 375 D C 0.754 177.089 176.300 0.058 0.000 1.481 375 D CA -0.076 53.972 54.000 0.081 0.000 1.143 375 D CB -0.180 40.664 40.800 0.074 0.000 1.306 375 D HN 0.292 nan 8.370 nan 0.000 0.569 376 N N -0.430 118.294 118.700 0.041 0.000 2.396 376 N HA 0.034 4.772 4.740 -0.002 0.000 0.180 376 N C -0.369 175.157 175.510 0.028 0.000 1.028 376 N CA 0.638 53.705 53.050 0.028 0.000 0.893 376 N CB -0.310 38.185 38.487 0.014 0.000 0.967 376 N HN 0.383 nan 8.380 nan 0.000 0.440 377 N N -0.863 117.854 118.700 0.029 0.000 2.701 377 N HA 0.443 5.182 4.740 -0.002 0.000 0.290 377 N C -0.770 174.751 175.510 0.019 0.000 1.338 377 N CA -0.672 52.392 53.050 0.024 0.000 0.799 377 N CB 1.759 40.257 38.487 0.019 0.000 1.491 377 N HN -0.159 nan 8.380 nan 0.000 0.540 378 I N 2.438 123.006 120.570 -0.004 0.000 2.287 378 I HA 0.091 4.260 4.170 -0.002 0.000 0.290 378 I C 0.222 176.238 176.117 -0.170 0.000 1.069 378 I CA -0.266 61.017 61.300 -0.027 0.000 1.237 378 I CB 0.438 38.421 38.000 -0.028 0.000 1.418 378 I HN 0.405 nan 8.210 nan 0.000 0.481 379 L N 6.668 127.771 121.223 -0.201 0.000 2.109 379 L HA 0.120 4.459 4.340 -0.002 0.000 0.207 379 L C 0.048 176.364 176.870 -0.923 0.000 1.086 379 L CA 1.541 56.090 54.840 -0.484 0.000 0.760 379 L CB -0.572 41.254 42.059 -0.388 0.000 0.910 379 L HN 0.331 nan 8.230 nan 0.000 0.437 380 F N -1.746 118.006 119.950 -0.329 0.000 2.619 380 F HA 0.602 5.128 4.527 -0.002 0.000 0.308 380 F C -0.660 174.785 175.800 -0.591 0.000 1.097 380 F CA -1.123 56.560 58.000 -0.528 0.000 0.953 380 F CB 1.980 40.703 39.000 -0.461 0.000 1.287 380 F HN -0.395 nan 8.300 nan 0.000 0.446 381 L N 1.655 122.450 121.223 -0.712 0.000 2.482 381 L HA 0.992 5.331 4.340 -0.002 0.000 0.263 381 L C -0.746 175.782 176.870 -0.570 0.000 0.957 381 L CA -0.015 54.336 54.840 -0.814 0.000 0.836 381 L CB 2.017 43.432 42.059 -1.074 0.000 1.324 381 L HN 0.764 nan 8.230 nan 0.000 0.406 382 G N 2.672 111.330 108.800 -0.237 0.000 2.488 382 G HA2 0.379 4.338 3.960 -0.002 0.000 0.301 382 G HA3 0.379 4.338 3.960 -0.002 0.000 0.301 382 G C -2.157 172.878 174.900 0.225 0.000 1.339 382 G CA -0.789 44.425 45.100 0.190 0.000 0.803 382 G HN 0.614 nan 8.290 nan 0.000 0.482 383 K N 0.444 121.033 120.400 0.316 0.000 2.502 383 K HA 0.558 4.877 4.320 -0.002 0.000 0.254 383 K C -1.054 175.563 176.600 0.028 0.000 0.947 383 K CA -0.558 55.843 56.287 0.191 0.000 0.834 383 K CB 1.961 34.638 32.500 0.296 0.000 1.112 383 K HN 0.258 nan 8.250 nan 0.000 0.427 384 V N 5.152 124.898 119.914 -0.280 0.000 2.322 384 V HA 0.037 4.156 4.120 -0.002 0.000 0.258 384 V C 0.972 176.883 176.094 -0.304 0.000 1.074 384 V CA -0.322 61.671 62.300 -0.511 0.000 0.909 384 V CB 0.376 31.419 31.823 -1.301 0.000 1.090 384 V HN 0.809 nan 8.190 nan 0.000 0.486 385 N N 3.631 122.278 118.700 -0.088 0.000 2.251 385 N HA 0.048 4.787 4.740 -0.002 0.000 0.181 385 N C 0.924 176.473 175.510 0.065 0.000 1.019 385 N CA 0.658 53.744 53.050 0.060 0.000 0.862 385 N CB 0.315 38.847 38.487 0.074 0.000 0.992 385 N HN 0.631 nan 8.380 nan 0.000 0.429 386 R N 0.114 120.541 120.500 -0.121 0.000 2.531 386 R HA 0.346 4.685 4.340 -0.002 0.000 0.293 386 R C -2.774 173.312 176.300 -0.356 0.000 1.124 386 R CA -1.528 54.423 56.100 -0.248 0.000 0.945 386 R CB 1.347 31.594 30.300 -0.088 0.000 1.195 386 R HN -0.004 nan 8.270 nan 0.000 0.433 387 P HA 0.000 nan 4.420 nan 0.000 0.216 387 P CA 0.000 62.857 63.100 -0.404 0.000 0.800 387 P CB 0.000 31.400 31.700 -0.501 0.000 0.726