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 3kd9_1_B DATA FIRST_RESID 2 DATA SEQUENCE SLKKVVIIGG GAAGMSAASR VKRLKPEWDV KVFEATEWVS XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXEVFIKK RGIDLHLNAE VIEVDTGYVR VRENGGEKSY DATA SEQUENCE EWDYLVFANG ASPQVPAIEG VNLKGVFTAD LPPDALAIRE YMEKYKVENV DATA SEQUENCE VIIGGGYIGI EMAEAFAAQG KNVTMIVRGE RVLRRSFDKE VTDILEEKLK DATA SEQUENCE KHVNLRLQEI TMKIEGEERV EKVVTDAGEY KAELVILATG IKPNIELAKQ DATA SEQUENCE LGVRIGETGA IWTNEKMQTS VENVYAAGDV AETRHVITGR RVWVPLAPAG DATA SEQUENCE NKMGYVAGSN IAGKELHFPG VLGTAVTKFM DVEIGKTGLT EMEALKEGYD DATA SEQUENCE VRTAFIKAST RPHYYPGGRE IWLKGVVDNE TNRLLGVQVV GSDILPRIDT DATA SEQUENCE AAAMLMAGFT TKDAFFTDLA YAPPFAPVWD PLIVLARVLK EG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.639 174.600 0.065 0.000 1.055 2 S CA 0.000 58.250 58.200 0.083 0.000 1.107 2 S CB 0.000 63.240 63.200 0.067 0.000 0.593 3 L N 0.583 121.763 121.223 -0.072 0.000 2.365 3 L HA 0.883 5.223 4.340 -0.000 0.000 0.267 3 L C -1.198 175.372 176.870 -0.499 0.000 1.033 3 L CA -0.251 54.476 54.840 -0.189 0.000 0.802 3 L CB 1.261 43.266 42.059 -0.090 0.000 1.267 3 L HN 0.977 nan 8.230 nan 0.000 0.457 4 K N 2.371 122.361 120.400 -0.683 0.000 2.582 4 K HA 0.269 4.589 4.320 -0.000 0.000 0.259 4 K C -1.423 174.960 176.600 -0.361 0.000 0.973 4 K CA -0.462 55.364 56.287 -0.768 0.000 0.880 4 K CB 1.660 33.049 32.500 -1.852 0.000 1.310 4 K HN 0.602 nan 8.250 nan 0.000 0.443 5 K N 1.976 122.303 120.400 -0.122 0.000 2.248 5 K HA 0.419 4.739 4.320 -0.000 0.000 0.281 5 K C -0.137 176.562 176.600 0.165 0.000 1.054 5 K CA -0.675 55.639 56.287 0.045 0.000 0.903 5 K CB 1.312 33.865 32.500 0.087 0.000 1.077 5 K HN 0.155 nan 8.250 nan 0.000 0.474 6 V N 3.898 123.921 119.914 0.182 0.000 2.417 6 V HA 0.293 4.413 4.120 -0.000 0.000 0.291 6 V C -0.242 175.909 176.094 0.094 0.000 1.024 6 V CA -0.937 61.485 62.300 0.203 0.000 0.861 6 V CB 1.671 33.614 31.823 0.200 0.000 0.985 6 V HN 0.423 nan 8.190 nan 0.000 0.436 7 V N 6.374 126.316 119.914 0.047 0.000 2.487 7 V HA 0.533 4.653 4.120 -0.000 0.000 0.298 7 V C -0.317 175.695 176.094 -0.137 0.000 1.028 7 V CA -0.419 61.863 62.300 -0.030 0.000 0.860 7 V CB 1.921 33.777 31.823 0.055 0.000 0.991 7 V HN 0.704 nan 8.190 nan 0.000 0.427 8 I N 5.702 126.202 120.570 -0.118 0.000 2.382 8 I HA 0.446 4.616 4.170 -0.000 0.000 0.286 8 I C -0.345 175.737 176.117 -0.058 0.000 1.002 8 I CA -0.321 60.906 61.300 -0.122 0.000 1.135 8 I CB 1.660 39.597 38.000 -0.105 0.000 1.288 8 I HN 0.462 nan 8.210 nan 0.000 0.448 9 I N 6.613 127.127 120.570 -0.093 0.000 2.256 9 I HA 0.396 4.566 4.170 -0.000 0.000 0.294 9 I C 0.884 177.022 176.117 0.035 0.000 1.127 9 I CA 0.262 61.558 61.300 -0.006 0.000 1.247 9 I CB 0.190 38.139 38.000 -0.086 0.000 1.460 9 I HN 0.901 nan 8.210 nan 0.000 0.511 10 G N 2.730 111.562 108.800 0.055 0.000 3.353 10 G HA2 0.398 4.358 3.960 -0.000 0.000 0.127 10 G HA3 0.398 4.358 3.960 -0.000 0.000 0.127 10 G C 0.666 175.604 174.900 0.064 0.000 1.167 10 G CA 0.538 45.676 45.100 0.063 0.000 1.459 10 G HN 0.626 nan 8.290 nan 0.000 0.702 11 G N -0.313 108.510 108.800 0.037 0.000 2.279 11 G HA2 0.160 4.120 3.960 -0.000 0.000 0.223 11 G HA3 0.160 4.120 3.960 -0.000 0.000 0.223 11 G C 1.247 176.178 174.900 0.052 0.000 1.015 11 G CA 1.099 46.223 45.100 0.040 0.000 0.621 11 G HN 1.864 nan 8.290 nan 0.000 0.506 12 G N -0.094 108.742 108.800 0.060 0.000 2.486 12 G HA2 0.592 4.552 3.960 -0.000 0.000 0.272 12 G HA3 0.592 4.552 3.960 -0.000 0.000 0.272 12 G C 1.601 176.521 174.900 0.034 0.000 1.426 12 G CA 1.565 46.700 45.100 0.058 0.000 1.058 12 G HN 1.351 nan 8.290 nan 0.000 0.531 13 A N -0.529 122.306 122.820 0.026 0.000 1.869 13 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 13 A C 2.784 180.370 177.584 0.002 0.000 1.203 13 A CA 3.412 55.455 52.037 0.009 0.000 0.638 13 A CB -1.170 17.829 19.000 -0.002 0.000 0.831 13 A HN 1.385 nan 8.150 nan 0.000 0.450 14 A N -0.972 121.850 122.820 0.003 0.000 1.898 14 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 14 A C 2.475 180.055 177.584 -0.008 0.000 1.181 14 A CA 1.896 53.929 52.037 -0.007 0.000 0.620 14 A CB -1.464 17.535 19.000 -0.002 0.000 0.819 14 A HN 0.840 nan 8.150 nan 0.000 0.442 15 G N -0.615 108.187 108.800 0.003 0.000 2.459 15 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 15 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 15 G C 1.524 176.408 174.900 -0.027 0.000 1.183 15 G CA 1.405 46.498 45.100 -0.011 0.000 0.776 15 G HN 0.341 nan 8.290 nan 0.000 0.552 16 M N 1.069 120.660 119.600 -0.014 0.000 2.229 16 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 16 M C 2.786 179.074 176.300 -0.020 0.000 1.063 16 M CA 0.933 56.221 55.300 -0.019 0.000 1.114 16 M CB -0.935 31.662 32.600 -0.005 0.000 1.387 16 M HN 0.193 nan 8.290 nan 0.000 0.420 17 S N 1.063 116.758 115.700 -0.008 0.000 2.368 17 S HA -0.061 4.409 4.470 -0.000 0.000 0.225 17 S C 2.128 176.712 174.600 -0.026 0.000 1.030 17 S CA 1.287 59.495 58.200 0.013 0.000 0.999 17 S CB -0.356 62.868 63.200 0.039 0.000 0.844 17 S HN 0.556 nan 8.310 nan 0.000 0.459 18 A N 1.986 124.772 122.820 -0.056 0.000 1.865 18 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 18 A C 2.415 179.924 177.584 -0.125 0.000 1.191 18 A CA 1.898 53.868 52.037 -0.112 0.000 0.623 18 A CB -1.396 17.542 19.000 -0.105 0.000 0.826 18 A HN 0.520 nan 8.150 nan 0.000 0.444 19 A N -0.745 122.019 122.820 -0.092 0.000 1.884 19 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 19 A C 2.542 180.073 177.584 -0.088 0.000 1.197 19 A CA 2.706 54.691 52.037 -0.086 0.000 0.637 19 A CB -1.237 17.721 19.000 -0.071 0.000 0.827 19 A HN 0.648 nan 8.150 nan 0.000 0.450 20 S N -1.257 114.400 115.700 -0.073 0.000 2.368 20 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 20 S C 2.231 176.767 174.600 -0.107 0.000 1.030 20 S CA 1.787 59.947 58.200 -0.067 0.000 0.999 20 S CB -0.342 62.840 63.200 -0.030 0.000 0.844 20 S HN 0.542 nan 8.310 nan 0.000 0.459 21 R N 0.985 121.391 120.500 -0.156 0.000 2.075 21 R HA 0.054 4.394 4.340 -0.000 0.000 0.232 21 R C 2.224 178.358 176.300 -0.275 0.000 1.126 21 R CA 1.860 57.798 56.100 -0.269 0.000 0.963 21 R CB -1.320 28.703 30.300 -0.463 0.000 0.858 21 R HN 0.353 nan 8.270 nan 0.000 0.435 22 V N 0.433 120.196 119.914 -0.252 0.000 2.667 22 V HA -0.118 4.002 4.120 -0.000 0.000 0.252 22 V C 1.949 177.907 176.094 -0.228 0.000 1.065 22 V CA 2.017 64.156 62.300 -0.268 0.000 1.083 22 V CB -0.261 31.436 31.823 -0.211 0.000 0.692 22 V HN 0.302 nan 8.190 nan 0.000 0.468 23 K N 0.959 121.268 120.400 -0.151 0.000 2.031 23 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 23 K C 2.380 178.899 176.600 -0.136 0.000 1.049 23 K CA 1.970 58.191 56.287 -0.110 0.000 0.939 23 K CB -0.605 31.854 32.500 -0.067 0.000 0.717 23 K HN 0.448 nan 8.250 nan 0.000 0.438 24 R N -0.035 120.384 120.500 -0.134 0.000 2.152 24 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 24 R C 1.831 178.032 176.300 -0.165 0.000 1.117 24 R CA 1.363 57.389 56.100 -0.124 0.000 0.981 24 R CB -0.137 30.103 30.300 -0.100 0.000 0.870 24 R HN 0.234 nan 8.270 nan 0.000 0.451 25 L N -0.280 120.803 121.223 -0.233 0.000 2.375 25 L HA 0.076 4.416 4.340 -0.000 0.000 0.215 25 L C 0.424 177.066 176.870 -0.380 0.000 1.108 25 L CA 0.603 55.271 54.840 -0.286 0.000 0.830 25 L CB 0.276 42.135 42.059 -0.334 0.000 0.959 25 L HN -0.069 nan 8.230 nan 0.000 0.457 26 K N -0.493 119.649 120.400 -0.430 0.000 2.920 26 K HA 0.270 4.590 4.320 -0.000 0.000 0.175 26 K C -2.119 174.327 176.600 -0.257 0.000 1.099 26 K CA -1.554 54.388 56.287 -0.576 0.000 0.939 26 K CB 1.171 32.870 32.500 -1.335 0.000 1.148 26 K HN -0.225 nan 8.250 nan 0.000 0.613 27 P HA -0.133 nan 4.420 nan 0.000 0.218 27 P C 1.026 178.347 177.300 0.035 0.000 1.148 27 P CA 0.971 64.045 63.100 -0.044 0.000 0.822 27 P CB 0.502 32.176 31.700 -0.043 0.000 0.784 28 E N -1.999 118.245 120.200 0.072 0.000 2.418 28 E HA -0.101 4.249 4.350 -0.000 0.000 0.197 28 E C -0.086 176.716 176.600 0.336 0.000 1.026 28 E CA 0.338 56.846 56.400 0.179 0.000 0.862 28 E CB 0.000 29.816 29.700 0.192 0.000 0.799 28 E HN 0.234 nan 8.360 nan 0.000 0.518 29 W N 1.284 122.583 121.300 -0.001 0.000 2.313 29 W HA 0.138 4.798 4.660 -0.000 0.000 0.328 29 W C 0.146 176.669 176.519 0.006 0.000 1.197 29 W CA -1.262 56.090 57.345 0.011 0.000 1.235 29 W CB 0.241 29.702 29.460 0.002 0.000 1.158 29 W HN -0.120 nan 8.180 nan 0.000 0.578 30 D N 1.741 122.264 120.400 0.205 0.000 2.380 30 D HA 0.327 4.967 4.640 -0.000 0.000 0.230 30 D C -1.145 175.218 176.300 0.106 0.000 1.154 30 D CA -0.069 54.002 54.000 0.119 0.000 0.859 30 D CB 0.544 41.393 40.800 0.082 0.000 1.045 30 D HN -0.004 nan 8.370 nan 0.000 0.495 31 V N 5.025 124.982 119.914 0.071 0.000 2.398 31 V HA 0.402 4.522 4.120 -0.000 0.000 0.286 31 V C 0.346 176.402 176.094 -0.064 0.000 1.026 31 V CA -0.660 61.653 62.300 0.022 0.000 0.868 31 V CB 1.337 33.168 31.823 0.012 0.000 0.982 31 V HN 0.448 nan 8.190 nan 0.000 0.443 32 K N 3.294 123.609 120.400 -0.142 0.000 2.328 32 K HA 0.863 5.183 4.320 -0.000 0.000 0.246 32 K C -1.585 174.773 176.600 -0.404 0.000 0.955 32 K CA -0.878 55.205 56.287 -0.339 0.000 0.817 32 K CB 2.820 34.983 32.500 -0.561 0.000 1.208 32 K HN 0.388 nan 8.250 nan 0.000 0.432 33 V N 2.558 122.160 119.914 -0.519 0.000 2.577 33 V HA 0.403 4.523 4.120 -0.000 0.000 0.303 33 V C -1.429 174.358 176.094 -0.512 0.000 1.042 33 V CA -0.833 61.241 62.300 -0.376 0.000 0.872 33 V CB 1.141 32.860 31.823 -0.174 0.000 0.998 33 V HN 0.580 nan 8.190 nan 0.000 0.423 34 F N 2.707 122.596 119.950 -0.102 0.000 2.325 34 F HA 0.518 5.045 4.527 -0.000 0.000 0.369 34 F C 0.466 176.260 175.800 -0.010 0.000 1.095 34 F CA -0.543 57.415 58.000 -0.071 0.000 1.082 34 F CB 1.331 40.258 39.000 -0.121 0.000 1.289 34 F HN 0.353 nan 8.300 nan 0.000 0.462 35 E N 2.015 122.311 120.200 0.159 0.000 2.146 35 E HA 0.432 4.782 4.350 -0.000 0.000 0.282 35 E C 0.439 177.119 176.600 0.133 0.000 0.989 35 E CA -0.288 56.188 56.400 0.126 0.000 0.799 35 E CB 1.822 31.574 29.700 0.087 0.000 1.088 35 E HN 0.659 nan 8.360 nan 0.000 0.397 36 A N 3.528 126.426 122.820 0.131 0.000 2.255 36 A HA 0.016 4.336 4.320 -0.000 0.000 0.206 36 A C 1.032 178.682 177.584 0.111 0.000 1.193 36 A CA 0.663 52.770 52.037 0.116 0.000 0.794 36 A CB 0.136 19.202 19.000 0.110 0.000 0.794 36 A HN 0.439 nan 8.150 nan 0.000 0.481 37 T N -2.440 112.179 114.554 0.109 0.000 2.742 37 T HA 0.351 4.701 4.350 -0.000 0.000 0.282 37 T C 0.579 175.203 174.700 -0.127 0.000 1.025 37 T CA -0.388 61.771 62.100 0.098 0.000 1.020 37 T CB 1.613 70.682 68.868 0.335 0.000 1.317 37 T HN 0.292 nan 8.240 nan 0.000 0.538 38 E N -0.324 119.539 120.200 -0.562 0.000 2.478 38 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 38 E C -0.287 175.693 176.600 -1.033 0.000 1.045 38 E CA 0.093 55.899 56.400 -0.990 0.000 0.868 38 E CB 0.396 29.168 29.700 -1.547 0.000 0.885 38 E HN 0.417 nan 8.360 nan 0.000 0.505 39 W N 0.184 121.505 121.300 0.035 0.000 2.578 39 W HA 0.535 5.195 4.660 -0.000 0.000 0.364 39 W C -0.223 176.310 176.519 0.023 0.000 1.144 39 W CA -0.686 56.675 57.345 0.027 0.000 1.242 39 W CB 0.914 30.390 29.460 0.027 0.000 1.382 39 W HN -0.385 nan 8.180 nan 0.000 0.625 40 V N 0.424 120.470 119.914 0.221 0.000 3.114 40 V HA 0.442 4.562 4.120 -0.000 0.000 0.308 40 V C 0.032 176.197 176.094 0.120 0.000 1.168 40 V CA -0.848 61.528 62.300 0.125 0.000 1.015 40 V CB 1.347 33.205 31.823 0.058 0.000 1.050 40 V HN 0.812 nan 8.190 nan 0.000 0.433 67 V N -0.728 119.168 119.914 -0.030 0.000 4.773 67 V HA -0.177 3.943 4.120 -0.000 0.000 0.227 67 V C 2.036 178.112 176.094 -0.029 0.000 0.653 67 V CA 3.202 65.481 62.300 -0.034 0.000 0.744 67 V CB -3.063 28.730 31.823 -0.050 0.000 0.646 67 V HN 1.889 nan 8.190 nan 0.000 0.869 68 F N -0.064 119.874 119.950 -0.020 0.000 2.250 68 F HA 0.075 4.602 4.527 -0.000 0.000 0.301 68 F C 2.661 178.449 175.800 -0.020 0.000 1.077 68 F CA 3.655 61.645 58.000 -0.017 0.000 1.348 68 F CB -1.009 37.984 39.000 -0.011 0.000 1.040 68 F HN 1.874 nan 8.300 nan 0.000 0.509 69 I N 0.906 121.463 120.570 -0.022 0.000 2.290 69 I HA -0.213 3.957 4.170 -0.000 0.000 0.253 69 I C 2.505 178.606 176.117 -0.027 0.000 1.112 69 I CA 3.765 65.050 61.300 -0.025 0.000 1.377 69 I CB -2.404 35.578 38.000 -0.030 0.000 1.060 69 I HN 0.693 nan 8.210 nan 0.000 0.428 70 K N 0.523 120.905 120.400 -0.030 0.000 2.044 70 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 70 K C 2.578 179.166 176.600 -0.020 0.000 1.049 70 K CA 3.094 59.364 56.287 -0.028 0.000 0.927 70 K CB -1.614 30.867 32.500 -0.032 0.000 0.713 70 K HN 1.093 nan 8.250 nan 0.000 0.443 71 K N 0.202 120.591 120.400 -0.018 0.000 2.148 71 K HA 0.044 4.364 4.320 -0.000 0.000 0.204 71 K C 2.650 179.241 176.600 -0.014 0.000 1.050 71 K CA 1.772 58.050 56.287 -0.014 0.000 0.942 71 K CB -1.298 31.194 32.500 -0.013 0.000 0.724 71 K HN 0.750 nan 8.250 nan 0.000 0.446 72 R N -0.344 120.146 120.500 -0.017 0.000 2.193 72 R HA 0.196 4.536 4.340 -0.000 0.000 0.229 72 R C 2.333 178.621 176.300 -0.020 0.000 1.110 72 R CA 1.864 57.952 56.100 -0.019 0.000 0.988 72 R CB -1.170 29.117 30.300 -0.022 0.000 0.871 72 R HN 1.615 nan 8.270 nan 0.000 0.458 73 G N -1.529 107.261 108.800 -0.017 0.000 2.168 73 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.197 73 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.197 73 G C 0.122 175.014 174.900 -0.013 0.000 0.997 73 G CA 0.035 45.128 45.100 -0.011 0.000 0.658 73 G HN 0.482 nan 8.290 nan 0.000 0.513 74 I N 1.111 121.667 120.570 -0.024 0.000 2.392 74 I HA 0.356 4.526 4.170 -0.000 0.000 0.295 74 I C -0.324 175.769 176.117 -0.039 0.000 0.985 74 I CA -0.693 60.586 61.300 -0.036 0.000 1.221 74 I CB 1.635 39.607 38.000 -0.047 0.000 1.366 74 I HN 0.026 nan 8.210 nan 0.000 0.467 75 D N 6.544 126.915 120.400 -0.048 0.000 2.563 75 D HA 0.199 4.839 4.640 -0.000 0.000 0.222 75 D C -0.663 175.624 176.300 -0.022 0.000 1.145 75 D CA -0.497 53.488 54.000 -0.026 0.000 1.001 75 D CB 0.263 41.065 40.800 0.003 0.000 1.049 75 D HN 0.177 nan 8.370 nan 0.000 0.515 76 L N 3.908 125.108 121.223 -0.038 0.000 2.380 76 L HA 0.291 4.631 4.340 -0.000 0.000 0.273 76 L C -0.747 176.123 176.870 -0.001 0.000 1.138 76 L CA 0.146 54.960 54.840 -0.044 0.000 0.832 76 L CB 0.625 42.652 42.059 -0.053 0.000 1.124 76 L HN 0.360 nan 8.230 nan 0.000 0.454 77 H N 6.277 125.218 119.070 -0.216 0.000 2.860 77 H HA 0.353 4.909 4.556 -0.000 0.000 0.312 77 H C -0.861 174.454 175.328 -0.022 0.000 0.995 77 H CA -0.829 55.158 56.048 -0.102 0.000 1.311 77 H CB 1.131 30.848 29.762 -0.075 0.000 1.478 77 H HN 0.488 nan 8.280 nan 0.000 0.508 78 L N 2.349 123.602 121.223 0.051 0.000 2.399 78 L HA 0.152 4.492 4.340 -0.000 0.000 0.265 78 L C 0.825 177.717 176.870 0.037 0.000 1.089 78 L CA -0.316 54.534 54.840 0.017 0.000 0.802 78 L CB 0.418 42.438 42.059 -0.066 0.000 1.180 78 L HN 0.685 nan 8.230 nan 0.000 0.454 79 N N -0.054 118.658 118.700 0.021 0.000 2.721 79 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 79 N C -0.664 174.901 175.510 0.092 0.000 1.072 79 N CA 0.803 53.871 53.050 0.031 0.000 0.710 79 N CB -0.905 37.573 38.487 -0.015 0.000 0.993 79 N HN 0.723 nan 8.380 nan 0.000 0.547 80 A N 0.388 123.300 122.820 0.155 0.000 2.293 80 A HA 0.473 4.793 4.320 -0.000 0.000 0.312 80 A C -0.114 177.568 177.584 0.163 0.000 1.309 80 A CA -0.483 51.688 52.037 0.223 0.000 0.839 80 A CB 0.794 20.067 19.000 0.455 0.000 1.155 80 A HN 0.304 nan 8.150 nan 0.000 0.501 81 E N 2.474 122.726 120.200 0.087 0.000 2.197 81 E HA 0.480 4.830 4.350 -0.000 0.000 0.281 81 E C -1.093 175.499 176.600 -0.014 0.000 0.995 81 E CA -0.474 55.957 56.400 0.052 0.000 0.808 81 E CB 1.384 31.118 29.700 0.057 0.000 1.093 81 E HN 0.389 nan 8.360 nan 0.000 0.394 82 V N 6.193 126.093 119.914 -0.023 0.000 2.432 82 V HA 0.087 4.207 4.120 -0.000 0.000 0.271 82 V C 0.579 176.674 176.094 0.003 0.000 1.046 82 V CA 0.093 62.355 62.300 -0.062 0.000 0.945 82 V CB 1.150 32.936 31.823 -0.062 0.000 0.992 82 V HN 0.726 nan 8.190 nan 0.000 0.471 83 I N 3.732 124.306 120.570 0.007 0.000 4.154 83 I HA 0.376 4.546 4.170 -0.000 0.000 0.334 83 I C 0.443 176.584 176.117 0.040 0.000 1.371 83 I CA 0.525 61.842 61.300 0.030 0.000 1.110 83 I CB 0.294 38.312 38.000 0.030 0.000 1.085 83 I HN 0.772 nan 8.210 nan 0.000 0.398 84 E N -0.148 120.077 120.200 0.042 0.000 2.381 84 E HA 0.475 4.825 4.350 -0.000 0.000 0.286 84 E C -2.011 174.598 176.600 0.016 0.000 0.960 84 E CA -0.554 55.874 56.400 0.047 0.000 0.793 84 E CB 2.167 31.917 29.700 0.083 0.000 1.225 84 E HN -0.154 nan 8.360 nan 0.000 0.420 85 V N 3.247 123.146 119.914 -0.024 0.000 2.971 85 V HA 0.670 4.790 4.120 -0.000 0.000 0.309 85 V C -1.783 174.204 176.094 -0.178 0.000 1.130 85 V CA -0.272 61.985 62.300 -0.071 0.000 0.964 85 V CB 2.033 33.906 31.823 0.083 0.000 1.029 85 V HN 0.855 nan 8.190 nan 0.000 0.427 86 D N 1.634 121.805 120.400 -0.381 0.000 2.615 86 D HA 0.341 4.981 4.640 -0.000 0.000 0.267 86 D C -0.803 175.379 176.300 -0.198 0.000 1.236 86 D CA 0.035 53.835 54.000 -0.332 0.000 0.839 86 D CB 2.575 43.032 40.800 -0.572 0.000 1.380 86 D HN 0.850 nan 8.370 nan 0.000 0.433 87 T N -1.095 113.396 114.554 -0.104 0.000 2.866 87 T HA 0.359 4.709 4.350 -0.000 0.000 0.293 87 T C 1.238 175.562 174.700 -0.626 0.000 1.005 87 T CA 0.961 62.916 62.100 -0.243 0.000 1.162 87 T CB 0.623 69.416 68.868 -0.125 0.000 0.968 87 T HN 0.763 nan 8.240 nan 0.000 0.530 88 G N 2.438 110.279 108.800 -1.598 0.000 2.267 88 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 88 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 88 G C -0.093 174.179 174.900 -1.046 0.000 0.998 88 G CA 0.768 45.048 45.100 -1.366 0.000 0.620 88 G HN 1.753 nan 8.290 nan 0.000 0.529 89 Y N -1.905 117.916 120.300 -0.797 0.000 2.644 89 Y HA 0.822 5.372 4.550 -0.000 0.000 0.338 89 Y C -0.934 175.115 175.900 0.248 0.000 1.119 89 Y CA -1.165 56.828 58.100 -0.178 0.000 1.060 89 Y CB 1.607 40.000 38.460 -0.112 0.000 1.294 89 Y HN 0.877 nan 8.280 nan 0.000 0.472 90 V N 2.223 122.429 119.914 0.486 0.000 3.048 90 V HA 0.593 4.713 4.120 -0.000 0.000 0.303 90 V C -1.695 174.567 176.094 0.280 0.000 1.214 90 V CA -0.866 61.606 62.300 0.286 0.000 0.984 90 V CB 2.173 34.117 31.823 0.201 0.000 1.054 90 V HN 1.059 nan 8.190 nan 0.000 0.430 91 R N 4.030 124.631 120.500 0.168 0.000 2.343 91 R HA 0.793 5.133 4.340 -0.000 0.000 0.320 91 R C -1.906 174.387 176.300 -0.012 0.000 0.956 91 R CA -0.294 55.869 56.100 0.106 0.000 0.836 91 R CB 1.808 32.190 30.300 0.138 0.000 1.151 91 R HN 0.681 nan 8.270 nan 0.000 0.450 92 V N 4.760 124.641 119.914 -0.055 0.000 2.680 92 V HA 0.538 4.658 4.120 -0.000 0.000 0.309 92 V C -1.072 175.020 176.094 -0.003 0.000 1.052 92 V CA -0.978 61.250 62.300 -0.121 0.000 0.908 92 V CB 1.863 33.422 31.823 -0.438 0.000 1.001 92 V HN 0.863 nan 8.190 nan 0.000 0.431 93 R N 4.822 125.332 120.500 0.016 0.000 2.246 93 R HA 0.542 4.882 4.340 -0.000 0.000 0.332 93 R C -0.639 175.706 176.300 0.075 0.000 0.974 93 R CA -0.341 55.788 56.100 0.048 0.000 0.837 93 R CB 0.870 31.193 30.300 0.039 0.000 1.145 93 R HN 0.928 nan 8.270 nan 0.000 0.467 94 E N 4.006 124.269 120.200 0.106 0.000 2.256 94 E HA 0.156 4.506 4.350 -0.000 0.000 0.268 94 E C -1.033 175.625 176.600 0.096 0.000 0.877 94 E CA -0.602 55.872 56.400 0.124 0.000 0.757 94 E CB 1.025 30.852 29.700 0.212 0.000 1.183 94 E HN 0.813 nan 8.360 nan 0.000 0.418 95 N N 3.184 121.925 118.700 0.069 0.000 2.738 95 N HA -0.277 4.463 4.740 -0.000 0.000 0.249 95 N C 0.700 176.236 175.510 0.044 0.000 1.047 95 N CA 0.602 53.681 53.050 0.049 0.000 0.707 95 N CB -1.019 37.498 38.487 0.049 0.000 0.937 95 N HN 0.978 nan 8.380 nan 0.000 0.545 96 G N -1.526 107.299 108.800 0.041 0.000 2.674 96 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.236 96 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.236 96 G C 0.677 175.598 174.900 0.036 0.000 1.178 96 G CA 0.593 45.714 45.100 0.034 0.000 0.721 96 G HN 0.876 nan 8.290 nan 0.000 0.515 97 G N -0.044 108.781 108.800 0.042 0.000 2.636 97 G HA2 0.437 4.397 3.960 -0.000 0.000 0.246 97 G HA3 0.437 4.397 3.960 -0.000 0.000 0.246 97 G C -0.251 174.676 174.900 0.045 0.000 1.216 97 G CA 0.579 45.703 45.100 0.040 0.000 0.854 97 G HN 0.511 nan 8.290 nan 0.000 0.572 98 E N -0.265 119.953 120.200 0.030 0.000 2.283 98 E HA 0.535 4.885 4.350 -0.000 0.000 0.258 98 E C -0.343 176.256 176.600 -0.001 0.000 0.893 98 E CA -0.559 55.855 56.400 0.023 0.000 0.798 98 E CB 1.105 30.814 29.700 0.014 0.000 1.242 98 E HN 0.664 nan 8.360 nan 0.000 0.414 99 K N 0.864 121.263 120.400 -0.002 0.000 2.340 99 K HA 0.697 5.017 4.320 -0.000 0.000 0.244 99 K C -0.400 176.110 176.600 -0.150 0.000 0.973 99 K CA -0.590 55.632 56.287 -0.107 0.000 0.828 99 K CB 1.599 34.016 32.500 -0.138 0.000 1.226 99 K HN 0.515 nan 8.250 nan 0.000 0.437 100 S N 0.101 115.634 115.700 -0.279 0.000 2.500 100 S HA 0.802 5.272 4.470 -0.000 0.000 0.301 100 S C -0.966 173.465 174.600 -0.283 0.000 1.092 100 S CA -0.653 57.458 58.200 -0.149 0.000 1.030 100 S CB 0.321 63.464 63.200 -0.096 0.000 1.031 100 S HN 0.532 nan 8.310 nan 0.000 0.483 101 Y N 0.460 120.817 120.300 0.094 0.000 2.509 101 Y HA 0.567 5.117 4.550 -0.000 0.000 0.341 101 Y C 0.518 176.525 175.900 0.179 0.000 1.038 101 Y CA -0.972 57.211 58.100 0.139 0.000 1.089 101 Y CB 1.413 39.997 38.460 0.208 0.000 1.241 101 Y HN 0.743 nan 8.280 nan 0.000 0.468 102 E N 3.382 123.755 120.200 0.288 0.000 2.231 102 E HA 0.263 4.612 4.350 -0.000 0.000 0.277 102 E C -1.499 175.241 176.600 0.234 0.000 0.999 102 E CA -0.634 55.854 56.400 0.148 0.000 0.827 102 E CB 1.006 30.735 29.700 0.048 0.000 1.101 102 E HN 0.622 nan 8.360 nan 0.000 0.393 103 W N 3.865 125.210 121.300 0.075 0.000 3.127 103 W HA 0.385 5.045 4.660 -0.000 0.000 0.330 103 W C -0.947 175.546 176.519 -0.044 0.000 1.187 103 W CA -0.719 56.643 57.345 0.028 0.000 1.198 103 W CB 0.733 30.218 29.460 0.041 0.000 1.408 103 W HN 0.439 nan 8.180 nan 0.000 0.529 104 D N 0.829 121.397 120.400 0.280 0.000 2.394 104 D HA 0.044 4.684 4.640 -0.000 0.000 0.226 104 D C -0.596 175.733 176.300 0.048 0.000 0.990 104 D CA 1.245 55.227 54.000 -0.031 0.000 0.902 104 D CB 0.633 41.254 40.800 -0.299 0.000 1.038 104 D HN 0.171 nan 8.370 nan 0.000 0.499 105 Y N 0.360 120.919 120.300 0.431 0.000 2.391 105 Y HA 0.454 5.004 4.550 -0.000 0.000 0.341 105 Y C -0.440 175.436 175.900 -0.040 0.000 0.965 105 Y CA -1.047 57.203 58.100 0.250 0.000 1.067 105 Y CB 2.013 40.566 38.460 0.155 0.000 1.199 105 Y HN -0.231 nan 8.280 nan 0.000 0.450 106 L N 3.611 124.662 121.223 -0.286 0.000 2.354 106 L HA 0.901 5.241 4.340 -0.000 0.000 0.269 106 L C -1.506 175.141 176.870 -0.373 0.000 1.005 106 L CA -0.858 53.530 54.840 -0.753 0.000 0.819 106 L CB 2.025 42.995 42.059 -1.816 0.000 1.311 106 L HN 0.411 nan 8.230 nan 0.000 0.423 107 V N 4.751 124.436 119.914 -0.380 0.000 2.482 107 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 107 V C -0.784 175.154 176.094 -0.261 0.000 1.026 107 V CA -0.400 61.789 62.300 -0.186 0.000 0.856 107 V CB 1.332 33.102 31.823 -0.088 0.000 1.001 107 V HN 0.520 nan 8.190 nan 0.000 0.424 108 F N 3.544 123.476 119.950 -0.030 0.000 2.438 108 F HA 0.570 5.097 4.527 -0.000 0.000 0.360 108 F C 0.850 176.652 175.800 0.004 0.000 1.118 108 F CA -0.080 57.907 58.000 -0.021 0.000 1.164 108 F CB 1.389 40.379 39.000 -0.017 0.000 1.131 108 F HN 0.578 nan 8.300 nan 0.000 0.527 109 A N 2.801 125.710 122.820 0.148 0.000 2.676 109 A HA 0.192 4.512 4.320 -0.000 0.000 0.258 109 A C 0.429 178.079 177.584 0.111 0.000 0.898 109 A CA -0.570 51.531 52.037 0.105 0.000 1.087 109 A CB -0.900 18.128 19.000 0.046 0.000 1.214 109 A HN 0.751 nan 8.150 nan 0.000 0.474 110 N N -0.016 118.773 118.700 0.149 0.000 2.362 110 N HA 0.389 5.129 4.740 -0.000 0.000 0.211 110 N C 1.027 176.611 175.510 0.123 0.000 1.170 110 N CA 0.432 53.562 53.050 0.133 0.000 0.828 110 N CB 0.171 38.749 38.487 0.152 0.000 1.034 110 N HN 0.640 nan 8.380 nan 0.000 0.475 111 G N 0.022 108.897 108.800 0.126 0.000 2.581 111 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.289 111 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.289 111 G C -0.157 174.843 174.900 0.166 0.000 1.303 111 G CA 0.081 45.266 45.100 0.142 0.000 0.931 111 G HN 0.815 nan 8.290 nan 0.000 0.555 112 A N -1.675 121.259 122.820 0.189 0.000 2.346 112 A HA 0.939 5.259 4.320 -0.000 0.000 0.313 112 A C 0.120 177.794 177.584 0.151 0.000 1.140 112 A CA 0.702 52.873 52.037 0.224 0.000 0.826 112 A CB 1.802 21.040 19.000 0.398 0.000 1.332 112 A HN 1.761 nan 8.150 nan 0.000 0.457 113 S N -0.068 115.717 115.700 0.141 0.000 2.627 113 S HA 0.724 5.194 4.470 -0.000 0.000 0.283 113 S C -2.881 171.778 174.600 0.098 0.000 1.127 113 S CA -0.937 57.323 58.200 0.101 0.000 0.863 113 S CB 1.795 65.042 63.200 0.078 0.000 1.121 113 S HN 0.514 nan 8.310 nan 0.000 0.479 114 P HA 0.153 nan 4.420 nan 0.000 0.269 114 P C -1.216 176.122 177.300 0.063 0.000 1.209 114 P CA -0.099 63.041 63.100 0.067 0.000 0.776 114 P CB 0.301 32.031 31.700 0.050 0.000 0.876 115 Q N 1.955 121.793 119.800 0.064 0.000 2.368 115 Q HA 0.396 4.736 4.340 -0.000 0.000 0.263 115 Q C -0.816 175.207 176.000 0.039 0.000 1.009 115 Q CA -0.920 54.915 55.803 0.053 0.000 0.818 115 Q CB 0.808 29.586 28.738 0.066 0.000 1.239 115 Q HN 0.312 nan 8.270 nan 0.000 0.464 116 V N 2.979 122.910 119.914 0.028 0.000 2.583 116 V HA 0.526 4.646 4.120 -0.000 0.000 0.287 116 V C -1.797 174.307 176.094 0.016 0.000 1.051 116 V CA -1.404 60.907 62.300 0.018 0.000 1.010 116 V CB 0.155 31.983 31.823 0.009 0.000 0.988 116 V HN 0.721 nan 8.190 nan 0.000 0.478 117 P HA 0.292 nan 4.420 nan 0.000 0.272 117 P C -0.115 177.190 177.300 0.009 0.000 1.240 117 P CA -0.340 62.768 63.100 0.013 0.000 0.791 117 P CB 1.263 32.969 31.700 0.012 0.000 0.978 118 A N 2.202 125.027 122.820 0.008 0.000 3.163 118 A HA 0.353 4.673 4.320 -0.000 0.000 0.283 118 A C 0.938 178.525 177.584 0.005 0.000 1.412 118 A CA -0.677 51.363 52.037 0.006 0.000 1.053 118 A CB -1.462 17.542 19.000 0.006 0.000 1.082 118 A HN 0.570 nan 8.150 nan 0.000 0.639 119 I N -3.481 117.092 120.570 0.005 0.000 2.676 119 I HA 0.476 4.646 4.170 -0.000 0.000 0.309 119 I C 0.256 176.375 176.117 0.003 0.000 0.990 119 I CA -0.851 60.453 61.300 0.006 0.000 1.168 119 I CB 1.053 39.058 38.000 0.008 0.000 1.343 119 I HN 0.249 nan 8.210 nan 0.000 0.482 120 E N 3.188 123.390 120.200 0.004 0.000 2.442 120 E HA 0.143 4.493 4.350 -0.000 0.000 0.262 120 E C 0.466 177.065 176.600 -0.001 0.000 1.004 120 E CA 0.665 57.066 56.400 0.002 0.000 0.928 120 E CB 0.446 30.148 29.700 0.004 0.000 0.937 120 E HN 1.088 nan 8.360 nan 0.000 0.446 121 G N 2.921 111.719 108.800 -0.004 0.000 2.256 121 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 121 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 121 G C 0.168 175.060 174.900 -0.014 0.000 0.485 121 G CA 0.331 45.425 45.100 -0.009 0.000 1.003 121 G HN 0.442 nan 8.290 nan 0.000 0.360 122 V N 0.545 120.447 119.914 -0.020 0.000 3.159 122 V HA 0.187 4.307 4.120 -0.000 0.000 0.333 122 V C 1.031 177.097 176.094 -0.048 0.000 1.424 122 V CA 0.425 62.709 62.300 -0.027 0.000 1.125 122 V CB 0.271 32.084 31.823 -0.018 0.000 1.075 122 V HN 0.567 nan 8.190 nan 0.000 0.482 123 N N -0.029 118.640 118.700 -0.051 0.000 2.170 123 N HA 0.346 5.086 4.740 -0.000 0.000 0.222 123 N C -0.115 175.344 175.510 -0.085 0.000 1.218 123 N CA -0.234 52.772 53.050 -0.074 0.000 0.889 123 N CB 0.564 39.019 38.487 -0.053 0.000 1.083 123 N HN 0.284 nan 8.380 nan 0.000 0.520 124 L N 0.755 121.936 121.223 -0.070 0.000 2.467 124 L HA 0.128 4.468 4.340 -0.000 0.000 0.270 124 L C 1.694 178.505 176.870 -0.099 0.000 1.205 124 L CA 0.103 54.907 54.840 -0.061 0.000 0.828 124 L CB 0.572 42.611 42.059 -0.034 0.000 1.101 124 L HN 0.009 nan 8.230 nan 0.000 0.479 125 K N 0.993 121.351 120.400 -0.070 0.000 2.589 125 K HA -0.148 4.172 4.320 -0.000 0.000 0.195 125 K C 1.608 178.157 176.600 -0.086 0.000 1.042 125 K CA 1.017 57.262 56.287 -0.071 0.000 0.940 125 K CB -0.244 32.268 32.500 0.020 0.000 0.776 125 K HN 0.930 nan 8.250 nan 0.000 0.487 126 G N -0.087 108.674 108.800 -0.064 0.000 2.459 126 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.213 126 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.213 126 G C 0.343 175.204 174.900 -0.065 0.000 1.155 126 G CA -0.164 44.918 45.100 -0.029 0.000 0.811 126 G HN 0.060 nan 8.290 nan 0.000 0.534 127 V N 0.885 120.727 119.914 -0.120 0.000 2.686 127 V HA 0.550 4.670 4.120 -0.000 0.000 0.295 127 V C -0.623 175.340 176.094 -0.217 0.000 1.055 127 V CA -0.159 62.086 62.300 -0.091 0.000 1.050 127 V CB 0.823 32.596 31.823 -0.085 0.000 0.984 127 V HN 0.120 nan 8.190 nan 0.000 0.482 128 F N 1.311 121.205 119.950 -0.093 0.000 2.591 128 F HA 0.575 5.101 4.527 -0.000 0.000 0.309 128 F C 0.186 175.973 175.800 -0.021 0.000 1.098 128 F CA -0.564 57.395 58.000 -0.069 0.000 0.937 128 F CB 2.494 41.444 39.000 -0.082 0.000 1.250 128 F HN 0.544 nan 8.300 nan 0.000 0.447 129 T N -0.009 114.650 114.554 0.175 0.000 2.823 129 T HA 0.755 5.105 4.350 -0.000 0.000 0.279 129 T C -0.417 174.348 174.700 0.109 0.000 0.998 129 T CA -0.875 61.291 62.100 0.110 0.000 0.994 129 T CB 1.668 70.571 68.868 0.059 0.000 0.960 129 T HN 0.828 nan 8.240 nan 0.000 0.448 130 A N 3.197 126.065 122.820 0.079 0.000 2.671 130 A HA 0.439 4.759 4.320 -0.000 0.000 0.306 130 A C 0.438 178.029 177.584 0.012 0.000 1.473 130 A CA -0.422 51.638 52.037 0.038 0.000 1.155 130 A CB -0.559 18.455 19.000 0.024 0.000 1.123 130 A HN 0.992 nan 8.150 nan 0.000 0.545 131 D N 1.406 121.803 120.400 -0.004 0.000 3.604 131 D HA 0.420 5.060 4.640 -0.000 0.000 0.169 131 D C 0.861 177.108 176.300 -0.088 0.000 1.155 131 D CA 0.399 54.384 54.000 -0.025 0.000 1.422 131 D CB 0.089 40.889 40.800 0.000 0.000 1.132 131 D HN 0.592 nan 8.370 nan 0.000 0.254 132 L N 2.309 123.461 121.223 -0.118 0.000 2.573 132 L HA 0.148 4.488 4.340 -0.000 0.000 0.290 132 L C -0.960 175.665 176.870 -0.408 0.000 1.247 132 L CA -0.117 54.561 54.840 -0.270 0.000 0.876 132 L CB -1.329 40.565 42.059 -0.275 0.000 1.123 132 L HN 0.356 nan 8.230 nan 0.000 0.505 133 P HA -0.159 nan 4.420 nan 0.000 0.218 133 P C -1.241 175.765 177.300 -0.489 0.000 1.146 133 P CA 2.032 64.808 63.100 -0.540 0.000 0.820 133 P CB -0.845 30.472 31.700 -0.638 0.000 0.778 134 P HA -0.189 nan 4.420 nan 0.000 0.215 134 P C 1.033 178.298 177.300 -0.058 0.000 1.157 134 P CA 1.609 64.564 63.100 -0.243 0.000 0.868 134 P CB -0.456 31.156 31.700 -0.147 0.000 0.788 135 D N 0.522 120.886 120.400 -0.060 0.000 2.133 135 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 135 D C 2.232 178.527 176.300 -0.008 0.000 0.997 135 D CA 1.923 55.965 54.000 0.070 0.000 0.840 135 D CB -0.925 39.922 40.800 0.079 0.000 0.947 135 D HN 0.142 nan 8.370 nan 0.000 0.452 136 A N 0.456 123.228 122.820 -0.080 0.000 1.908 136 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 136 A C 2.578 180.129 177.584 -0.056 0.000 1.181 136 A CA 2.467 54.449 52.037 -0.091 0.000 0.627 136 A CB -1.263 17.667 19.000 -0.116 0.000 0.818 136 A HN 0.297 nan 8.150 nan 0.000 0.445 137 L N -1.075 120.135 121.223 -0.023 0.000 2.023 137 L HA 0.310 4.650 4.340 -0.000 0.000 0.205 137 L C 2.935 179.837 176.870 0.053 0.000 1.073 137 L CA 2.407 57.265 54.840 0.030 0.000 0.745 137 L CB -2.205 39.900 42.059 0.077 0.000 0.900 137 L HN 0.705 nan 8.230 nan 0.000 0.435 138 A N -0.241 122.635 122.820 0.093 0.000 1.952 138 A HA 0.020 4.339 4.320 -0.000 0.000 0.206 138 A C 2.627 180.209 177.584 -0.004 0.000 1.213 138 A CA 3.551 55.694 52.037 0.177 0.000 0.690 138 A CB -1.445 17.767 19.000 0.353 0.000 0.854 138 A HN 1.773 nan 8.150 nan 0.000 0.485 139 I N -0.671 119.659 120.570 -0.399 0.000 2.181 139 I HA -0.394 3.776 4.170 -0.000 0.000 0.240 139 I C 2.544 178.423 176.117 -0.397 0.000 1.006 139 I CA 3.382 63.945 61.300 -1.229 0.000 1.284 139 I CB -1.712 35.667 38.000 -1.034 0.000 0.990 139 I HN 0.523 nan 8.210 nan 0.000 0.408 140 R N 0.244 120.649 120.500 -0.158 0.000 2.080 140 R HA -0.162 4.178 4.340 -0.000 0.000 0.236 140 R C 2.474 178.804 176.300 0.050 0.000 1.137 140 R CA 2.298 58.387 56.100 -0.019 0.000 0.943 140 R CB -1.271 29.017 30.300 -0.020 0.000 0.846 140 R HN 0.876 nan 8.270 nan 0.000 0.431 141 E N 0.810 121.049 120.200 0.065 0.000 2.049 141 E HA -0.276 4.074 4.350 -0.000 0.000 0.198 141 E C 1.767 178.475 176.600 0.180 0.000 1.007 141 E CA 1.803 58.269 56.400 0.108 0.000 0.809 141 E CB -1.382 28.391 29.700 0.122 0.000 0.749 141 E HN 0.602 nan 8.360 nan 0.000 0.450 142 Y N 0.681 121.034 120.300 0.088 0.000 2.030 142 Y HA -0.340 4.210 4.550 -0.000 0.000 0.272 142 Y C 3.082 179.096 175.900 0.190 0.000 1.185 142 Y CA 4.449 62.670 58.100 0.203 0.000 1.120 142 Y CB -0.676 37.885 38.460 0.169 0.000 0.955 142 Y HN 0.410 nan 8.280 nan 0.000 0.495 143 M N 0.549 120.373 119.600 0.375 0.000 2.108 143 M HA -0.068 4.412 4.480 -0.000 0.000 0.261 143 M C 1.607 177.974 176.300 0.112 0.000 1.066 143 M CA 2.604 58.041 55.300 0.230 0.000 1.107 143 M CB -2.372 30.344 32.600 0.194 0.000 1.356 143 M HN 0.553 nan 8.290 nan 0.000 0.406 144 E N 0.888 121.144 120.200 0.094 0.000 2.346 144 E HA 0.460 4.810 4.350 -0.000 0.000 0.317 144 E C 0.483 177.089 176.600 0.010 0.000 1.404 144 E CA 0.476 56.904 56.400 0.047 0.000 1.534 144 E CB -0.698 nan 29.700 nan 0.000 1.309 144 E HN 0.863 nan 8.360 nan 0.000 0.499 145 K N -1.179 119.208 120.400 -0.021 0.000 2.009 145 K HA 0.138 4.458 4.320 -0.000 0.000 0.308 145 K C -0.900 175.611 176.600 -0.149 0.000 1.515 145 K CA -0.412 55.788 56.287 -0.146 0.000 0.759 145 K CB 0.209 32.590 32.500 -0.198 0.000 3.345 145 K HN 0.264 nan 8.250 nan 0.000 1.101 146 Y N 3.221 123.397 120.300 -0.206 0.000 2.784 146 Y HA 0.165 4.715 4.550 -0.000 0.000 0.355 146 Y C 0.378 176.185 175.900 -0.155 0.000 1.198 146 Y CA 0.505 58.480 58.100 -0.208 0.000 1.588 146 Y CB -1.047 37.212 38.460 -0.335 0.000 1.220 146 Y HN 0.331 nan 8.280 nan 0.000 0.517 147 K N 2.604 123.032 120.400 0.046 0.000 2.438 147 K HA 0.246 4.566 4.320 -0.000 0.000 0.270 147 K C -0.393 176.234 176.600 0.044 0.000 1.095 147 K CA 0.272 56.580 56.287 0.036 0.000 1.174 147 K CB -0.888 31.627 32.500 0.025 0.000 0.830 147 K HN 0.580 nan 8.250 nan 0.000 0.487 148 V N 2.325 122.270 119.914 0.051 0.000 2.378 148 V HA 0.597 4.717 4.120 -0.000 0.000 0.288 148 V C 1.217 177.327 176.094 0.026 0.000 1.016 148 V CA -0.065 62.267 62.300 0.053 0.000 0.840 148 V CB 0.558 32.434 31.823 0.089 0.000 0.994 148 V HN 1.050 nan 8.190 nan 0.000 0.431 149 E N 4.008 124.218 120.200 0.017 0.000 2.068 149 E HA 0.140 4.490 4.350 -0.000 0.000 0.201 149 E C 0.683 177.276 176.600 -0.012 0.000 0.947 149 E CA 0.329 56.735 56.400 0.010 0.000 0.909 149 E CB -0.290 nan 29.700 nan 0.000 1.015 149 E HN 0.675 nan 8.360 nan 0.000 0.484 150 N N -0.357 118.338 118.700 -0.007 0.000 2.513 150 N HA 0.401 5.141 4.740 -0.000 0.000 0.268 150 N C -0.896 174.575 175.510 -0.066 0.000 1.180 150 N CA 0.174 53.212 53.050 -0.020 0.000 0.948 150 N CB 1.670 40.164 38.487 0.012 0.000 1.083 150 N HN 0.337 nan 8.380 nan 0.000 0.455 151 V N 3.003 122.844 119.914 -0.122 0.000 2.668 151 V HA 0.539 4.659 4.120 -0.000 0.000 0.304 151 V C -1.244 174.751 176.094 -0.165 0.000 1.071 151 V CA -0.586 61.582 62.300 -0.220 0.000 0.894 151 V CB 1.697 33.196 31.823 -0.540 0.000 1.008 151 V HN 0.305 nan 8.190 nan 0.000 0.425 152 V N 7.742 127.585 119.914 -0.119 0.000 2.513 152 V HA 0.588 4.708 4.120 -0.000 0.000 0.299 152 V C -0.105 175.953 176.094 -0.060 0.000 1.035 152 V CA -0.525 61.720 62.300 -0.091 0.000 0.889 152 V CB 1.752 33.525 31.823 -0.082 0.000 0.988 152 V HN 0.759 nan 8.190 nan 0.000 0.440 153 I N 5.128 125.673 120.570 -0.042 0.000 2.362 153 I HA 0.470 4.640 4.170 -0.000 0.000 0.289 153 I C -0.563 175.537 176.117 -0.029 0.000 0.994 153 I CA -0.343 60.961 61.300 0.006 0.000 1.158 153 I CB 1.749 39.785 38.000 0.060 0.000 1.315 153 I HN 0.435 nan 8.210 nan 0.000 0.451 154 I N 5.901 126.463 120.570 -0.013 0.000 2.306 154 I HA 0.633 4.803 4.170 -0.000 0.000 0.288 154 I C 0.317 176.429 176.117 -0.008 0.000 1.036 154 I CA -0.132 61.153 61.300 -0.024 0.000 1.221 154 I CB 1.252 39.242 38.000 -0.016 0.000 1.385 154 I HN 0.800 nan 8.210 nan 0.000 0.472 155 G N 3.290 112.077 108.800 -0.021 0.000 2.326 155 G HA2 0.184 4.144 3.960 -0.000 0.000 0.299 155 G HA3 0.184 4.144 3.960 -0.000 0.000 0.299 155 G C -0.118 174.761 174.900 -0.034 0.000 1.643 155 G CA -0.467 44.624 45.100 -0.015 0.000 0.916 155 G HN 0.749 nan 8.290 nan 0.000 0.700 156 G N 0.029 108.801 108.800 -0.047 0.000 3.605 156 G HA2 0.602 4.562 3.960 -0.000 0.000 0.277 156 G HA3 0.602 4.562 3.960 -0.000 0.000 0.277 156 G C 0.868 175.711 174.900 -0.095 0.000 1.093 156 G CA 0.984 46.039 45.100 -0.074 0.000 0.821 156 G HN 1.146 nan 8.290 nan 0.000 0.532 157 G N -0.451 108.305 108.800 -0.074 0.000 2.509 157 G HA2 0.368 4.328 3.960 -0.000 0.000 0.269 157 G HA3 0.368 4.328 3.960 -0.000 0.000 0.269 157 G C 0.626 175.462 174.900 -0.107 0.000 1.416 157 G CA -0.513 44.515 45.100 -0.119 0.000 1.052 157 G HN 0.074 nan 8.290 nan 0.000 0.542 158 Y N 0.373 120.694 120.300 0.036 0.000 2.070 158 Y HA -0.145 4.405 4.550 -0.000 0.000 0.279 158 Y C 2.945 178.858 175.900 0.022 0.000 1.134 158 Y CA 2.076 60.200 58.100 0.039 0.000 1.113 158 Y CB -0.759 37.721 38.460 0.033 0.000 0.981 158 Y HN 0.404 nan 8.280 nan 0.000 0.487 159 I N -1.309 119.382 120.570 0.201 0.000 2.113 159 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 159 I C 2.608 178.770 176.117 0.075 0.000 1.057 159 I CA 1.867 63.230 61.300 0.105 0.000 1.314 159 I CB -1.549 36.500 38.000 0.081 0.000 1.022 159 I HN 0.229 nan 8.210 nan 0.000 0.408 160 G N 1.992 110.828 108.800 0.059 0.000 2.514 160 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 160 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 160 G C 1.696 176.625 174.900 0.048 0.000 1.198 160 G CA 1.541 46.667 45.100 0.042 0.000 0.780 160 G HN 0.505 nan 8.290 nan 0.000 0.565 161 I N 0.691 121.281 120.570 0.033 0.000 2.194 161 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 161 I C 2.822 179.022 176.117 0.139 0.000 1.093 161 I CA 1.575 62.904 61.300 0.050 0.000 1.355 161 I CB -0.346 37.669 38.000 0.026 0.000 1.046 161 I HN 0.303 nan 8.210 nan 0.000 0.413 162 E N 0.339 120.602 120.200 0.106 0.000 2.051 162 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 162 E C 2.315 178.927 176.600 0.018 0.000 0.991 162 E CA 1.229 57.671 56.400 0.071 0.000 0.799 162 E CB -0.148 29.573 29.700 0.035 0.000 0.748 162 E HN 0.367 nan 8.360 nan 0.000 0.449 163 M N 0.517 120.118 119.600 0.001 0.000 2.149 163 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 163 M C 2.438 178.762 176.300 0.040 0.000 1.064 163 M CA 1.282 56.535 55.300 -0.078 0.000 1.102 163 M CB -1.063 31.563 32.600 0.042 0.000 1.369 163 M HN 0.131 nan 8.290 nan 0.000 0.408 164 A N 0.091 123.013 122.820 0.171 0.000 1.858 164 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 164 A C 2.139 179.916 177.584 0.322 0.000 1.190 164 A CA 2.069 54.269 52.037 0.271 0.000 0.617 164 A CB -0.878 18.233 19.000 0.185 0.000 0.827 164 A HN 0.605 nan 8.150 nan 0.000 0.443 165 E N 0.004 120.401 120.200 0.328 0.000 2.058 165 E HA -0.179 4.170 4.350 -0.000 0.000 0.194 165 E C 2.135 178.718 176.600 -0.028 0.000 0.997 165 E CA 1.363 57.820 56.400 0.094 0.000 0.801 165 E CB -0.360 29.306 29.700 -0.057 0.000 0.746 165 E HN 0.495 nan 8.360 nan 0.000 0.450 166 A N 0.393 123.153 122.820 -0.100 0.000 1.903 166 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 166 A C 1.946 179.408 177.584 -0.204 0.000 1.191 166 A CA 1.908 53.800 52.037 -0.242 0.000 0.638 166 A CB -0.998 17.727 19.000 -0.457 0.000 0.823 166 A HN 0.403 nan 8.150 nan 0.000 0.451 167 F N -0.310 119.656 119.950 0.026 0.000 2.187 167 F HA 0.109 4.636 4.527 -0.000 0.000 0.295 167 F C 2.811 178.635 175.800 0.040 0.000 1.091 167 F CA 0.459 58.476 58.000 0.029 0.000 1.308 167 F CB -0.898 38.123 39.000 0.035 0.000 1.030 167 F HN 0.246 nan 8.300 nan 0.000 0.487 168 A N 0.243 123.213 122.820 0.250 0.000 1.940 168 A HA -0.121 4.198 4.320 -0.000 0.000 0.219 168 A C 2.406 180.054 177.584 0.106 0.000 1.176 168 A CA 1.828 53.975 52.037 0.184 0.000 0.631 168 A CB -1.297 17.827 19.000 0.206 0.000 0.814 168 A HN 0.294 nan 8.150 nan 0.000 0.446 169 A N -1.147 121.700 122.820 0.045 0.000 2.070 169 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 169 A C 1.849 179.453 177.584 0.032 0.000 1.159 169 A CA 1.323 53.361 52.037 0.001 0.000 0.656 169 A CB -0.289 18.680 19.000 -0.053 0.000 0.800 169 A HN 0.599 nan 8.150 nan 0.000 0.453 170 Q N -1.338 118.508 119.800 0.076 0.000 2.222 170 Q HA 0.218 4.558 4.340 -0.000 0.000 0.206 170 Q C 1.183 177.238 176.000 0.093 0.000 0.877 170 Q CA 0.435 56.291 55.803 0.088 0.000 0.958 170 Q CB 0.215 29.036 28.738 0.139 0.000 1.075 170 Q HN 0.832 nan 8.270 nan 0.000 0.483 171 G N 1.731 110.584 108.800 0.089 0.000 2.238 171 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.270 171 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.270 171 G C 0.292 175.243 174.900 0.084 0.000 0.977 171 G CA 0.666 45.814 45.100 0.080 0.000 0.639 171 G HN 0.218 nan 8.290 nan 0.000 0.544 172 K N 1.198 121.660 120.400 0.103 0.000 2.382 172 K HA 0.256 4.576 4.320 -0.000 0.000 0.275 172 K C 0.737 177.378 176.600 0.067 0.000 1.009 172 K CA -0.276 56.053 56.287 0.070 0.000 0.970 172 K CB 0.404 32.933 32.500 0.048 0.000 0.934 172 K HN 0.397 nan 8.250 nan 0.000 0.479 173 N N 2.267 120.989 118.700 0.037 0.000 2.483 173 N HA 0.025 4.765 4.740 -0.000 0.000 0.264 173 N C -1.085 174.438 175.510 0.022 0.000 1.197 173 N CA 0.046 53.120 53.050 0.040 0.000 0.927 173 N CB 0.534 39.039 38.487 0.030 0.000 1.065 173 N HN 0.105 nan 8.380 nan 0.000 0.461 174 V N 2.453 122.396 119.914 0.050 0.000 2.823 174 V HA 0.517 4.637 4.120 -0.000 0.000 0.312 174 V C -0.111 175.991 176.094 0.013 0.000 1.072 174 V CA -0.702 61.620 62.300 0.036 0.000 0.937 174 V CB 2.016 33.913 31.823 0.124 0.000 1.013 174 V HN 0.740 nan 8.190 nan 0.000 0.430 175 T N 4.649 119.182 114.554 -0.035 0.000 2.991 175 T HA 0.523 4.873 4.350 -0.000 0.000 0.303 175 T C -0.617 174.000 174.700 -0.137 0.000 1.015 175 T CA -0.339 61.702 62.100 -0.098 0.000 1.007 175 T CB 1.436 70.210 68.868 -0.157 0.000 1.034 175 T HN 0.523 nan 8.240 nan 0.000 0.446 176 M N 3.567 123.083 119.600 -0.140 0.000 2.300 176 M HA 0.579 5.059 4.480 -0.000 0.000 0.348 176 M C -1.124 175.071 176.300 -0.174 0.000 1.151 176 M CA -0.747 54.474 55.300 -0.132 0.000 1.046 176 M CB 1.109 33.644 32.600 -0.108 0.000 1.647 176 M HN 0.516 nan 8.290 nan 0.000 0.451 177 I N 4.576 125.055 120.570 -0.152 0.000 2.410 177 I HA 0.403 4.573 4.170 -0.000 0.000 0.286 177 I C -0.751 175.315 176.117 -0.085 0.000 1.009 177 I CA -0.921 60.293 61.300 -0.143 0.000 1.111 177 I CB 1.634 39.536 38.000 -0.164 0.000 1.262 177 I HN 0.388 nan 8.210 nan 0.000 0.443 178 V N 5.227 125.098 119.914 -0.072 0.000 2.588 178 V HA 0.503 4.623 4.120 -0.000 0.000 0.304 178 V C 0.938 177.009 176.094 -0.038 0.000 1.042 178 V CA -0.700 61.568 62.300 -0.053 0.000 0.877 178 V CB 1.804 33.590 31.823 -0.062 0.000 0.996 178 V HN 0.873 nan 8.190 nan 0.000 0.425 179 R N 3.959 124.443 120.500 -0.026 0.000 2.189 179 R HA 0.207 4.547 4.340 -0.000 0.000 0.218 179 R C 0.944 177.233 176.300 -0.018 0.000 1.074 179 R CA 0.787 56.877 56.100 -0.017 0.000 0.991 179 R CB -0.382 29.913 30.300 -0.009 0.000 0.883 179 R HN 0.842 nan 8.270 nan 0.000 0.457 180 G N 1.944 110.730 108.800 -0.024 0.000 2.621 180 G HA2 0.014 3.974 3.960 -0.000 0.000 0.271 180 G HA3 0.014 3.974 3.960 -0.000 0.000 0.271 180 G C 0.587 175.469 174.900 -0.030 0.000 1.236 180 G CA -0.460 44.625 45.100 -0.025 0.000 0.958 180 G HN 0.273 nan 8.290 nan 0.000 0.512 181 E N -0.690 119.492 120.200 -0.030 0.000 2.511 181 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 181 E C 0.742 177.315 176.600 -0.044 0.000 1.066 181 E CA 0.354 56.735 56.400 -0.033 0.000 0.871 181 E CB -0.057 29.625 29.700 -0.029 0.000 0.863 181 E HN 0.668 nan 8.360 nan 0.000 0.520 182 R N -1.062 119.407 120.500 -0.051 0.000 2.825 182 R HA 0.324 4.664 4.340 -0.000 0.000 0.274 182 R C -0.493 175.763 176.300 -0.074 0.000 1.026 182 R CA -0.569 55.490 56.100 -0.067 0.000 0.867 182 R CB 0.472 30.731 30.300 -0.068 0.000 1.268 182 R HN -0.075 nan 8.270 nan 0.000 0.491 183 V N 0.059 119.915 119.914 -0.096 0.000 3.003 183 V HA 0.338 4.458 4.120 -0.000 0.000 0.305 183 V C 1.253 177.286 176.094 -0.103 0.000 1.078 183 V CA -0.339 61.897 62.300 -0.108 0.000 1.083 183 V CB 0.343 32.083 31.823 -0.139 0.000 1.039 183 V HN 0.912 nan 8.190 nan 0.000 0.481 184 L N -0.624 120.531 121.223 -0.115 0.000 4.179 184 L HA -0.242 4.098 4.340 -0.000 0.000 0.418 184 L C 2.162 179.024 176.870 -0.014 0.000 1.168 184 L CA 1.217 56.004 54.840 -0.089 0.000 0.972 184 L CB -1.265 40.774 42.059 -0.034 0.000 2.005 184 L HN 1.036 nan 8.230 nan 0.000 0.935 185 R N 1.076 121.551 120.500 -0.041 0.000 2.153 185 R HA -0.222 4.118 4.340 -0.000 0.000 0.252 185 R C 1.875 178.164 176.300 -0.018 0.000 1.158 185 R CA 2.559 58.642 56.100 -0.028 0.000 0.975 185 R CB -0.037 30.242 30.300 -0.034 0.000 0.871 185 R HN 0.518 nan 8.270 nan 0.000 0.450 186 R N -1.282 119.202 120.500 -0.028 0.000 2.365 186 R HA 0.187 4.527 4.340 -0.000 0.000 0.223 186 R C 1.653 177.918 176.300 -0.058 0.000 0.899 186 R CA 0.269 56.351 56.100 -0.030 0.000 1.059 186 R CB 0.691 30.980 30.300 -0.019 0.000 1.086 186 R HN 0.109 nan 8.270 nan 0.000 0.522 187 S N -0.388 115.263 115.700 -0.081 0.000 2.475 187 S HA 0.242 4.712 4.470 -0.000 0.000 0.224 187 S C -0.068 174.258 174.600 -0.456 0.000 1.042 187 S CA 0.476 58.530 58.200 -0.244 0.000 0.935 187 S CB 0.353 63.386 63.200 -0.280 0.000 0.801 187 S HN 0.014 nan 8.310 nan 0.000 0.509 188 F N 1.375 121.290 119.950 -0.058 0.000 2.603 188 F HA 0.448 4.975 4.527 -0.000 0.000 0.317 188 F C -0.090 175.664 175.800 -0.075 0.000 1.066 188 F CA -1.439 56.530 58.000 -0.052 0.000 0.941 188 F CB 0.954 39.919 39.000 -0.057 0.000 1.291 188 F HN -0.169 nan 8.300 nan 0.000 0.472 189 D N 0.624 121.089 120.400 0.108 0.000 2.371 189 D HA 0.061 4.701 4.640 -0.000 0.000 0.242 189 D C 1.009 177.281 176.300 -0.045 0.000 1.218 189 D CA -0.125 53.873 54.000 -0.003 0.000 0.945 189 D CB 0.905 41.672 40.800 -0.055 0.000 1.137 189 D HN 0.543 nan 8.370 nan 0.000 0.464 190 K N 0.531 120.880 120.400 -0.085 0.000 2.147 190 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 190 K C 1.555 178.047 176.600 -0.180 0.000 1.049 190 K CA 1.027 57.248 56.287 -0.110 0.000 0.936 190 K CB 0.214 32.659 32.500 -0.091 0.000 0.722 190 K HN 0.403 nan 8.250 nan 0.000 0.446 191 E N 0.170 120.201 120.200 -0.282 0.000 2.274 191 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 191 E C 1.792 178.107 176.600 -0.475 0.000 0.996 191 E CA 0.909 57.024 56.400 -0.476 0.000 0.840 191 E CB -0.090 29.058 29.700 -0.920 0.000 0.772 191 E HN 0.148 nan 8.360 nan 0.000 0.491 192 V N 1.553 121.272 119.914 -0.325 0.000 2.500 192 V HA -0.133 3.987 4.120 -0.000 0.000 0.243 192 V C 2.348 178.309 176.094 -0.221 0.000 1.039 192 V CA 1.816 63.997 62.300 -0.198 0.000 1.053 192 V CB -0.601 31.173 31.823 -0.082 0.000 0.695 192 V HN 0.253 nan 8.190 nan 0.000 0.463 193 T N 0.027 114.459 114.554 -0.203 0.000 2.720 193 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 193 T C 1.634 176.220 174.700 -0.190 0.000 1.037 193 T CA 1.830 63.807 62.100 -0.204 0.000 1.144 193 T CB -0.416 68.368 68.868 -0.140 0.000 0.864 193 T HN 0.422 nan 8.240 nan 0.000 0.444 194 D N 0.898 121.190 120.400 -0.180 0.000 2.133 194 D HA -0.092 4.548 4.640 -0.000 0.000 0.192 194 D C 1.944 178.128 176.300 -0.193 0.000 1.001 194 D CA 0.863 54.764 54.000 -0.165 0.000 0.844 194 D CB -0.448 40.262 40.800 -0.149 0.000 0.944 194 D HN 0.276 nan 8.370 nan 0.000 0.447 195 I N 0.159 120.568 120.570 -0.268 0.000 2.208 195 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 195 I C 2.299 178.297 176.117 -0.199 0.000 1.097 195 I CA 0.620 61.718 61.300 -0.336 0.000 1.363 195 I CB -0.396 37.259 38.000 -0.574 0.000 1.051 195 I HN 0.025 nan 8.210 nan 0.000 0.413 196 L N 0.448 121.565 121.223 -0.177 0.000 1.994 196 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 196 L C 2.467 179.262 176.870 -0.125 0.000 1.071 196 L CA 1.838 56.601 54.840 -0.128 0.000 0.745 196 L CB -0.746 41.210 42.059 -0.173 0.000 0.892 196 L HN 0.271 nan 8.230 nan 0.000 0.431 197 E N -0.503 119.608 120.200 -0.148 0.000 2.130 197 E HA -0.332 4.018 4.350 -0.000 0.000 0.196 197 E C 2.012 178.555 176.600 -0.095 0.000 0.998 197 E CA 1.533 57.850 56.400 -0.138 0.000 0.806 197 E CB -0.199 29.427 29.700 -0.124 0.000 0.738 197 E HN 0.673 nan 8.360 nan 0.000 0.459 198 E N 1.314 121.466 120.200 -0.080 0.000 2.058 198 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 198 E C 2.064 178.670 176.600 0.010 0.000 0.997 198 E CA 1.741 58.115 56.400 -0.043 0.000 0.801 198 E CB 0.070 29.734 29.700 -0.060 0.000 0.746 198 E HN -0.055 nan 8.360 nan 0.000 0.450 199 K N 0.212 120.634 120.400 0.036 0.000 2.062 199 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 199 K C 2.039 178.766 176.600 0.212 0.000 1.051 199 K CA 0.941 57.318 56.287 0.151 0.000 0.941 199 K CB -0.585 32.023 32.500 0.180 0.000 0.719 199 K HN 0.193 nan 8.250 nan 0.000 0.440 200 L N 1.694 122.925 121.223 0.014 0.000 2.013 200 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 200 L C 1.668 178.489 176.870 -0.082 0.000 1.073 200 L CA 1.965 56.637 54.840 -0.280 0.000 0.753 200 L CB -0.500 41.263 42.059 -0.492 0.000 0.890 200 L HN 0.178 nan 8.230 nan 0.000 0.432 201 K N -0.645 119.729 120.400 -0.043 0.000 2.360 201 K HA -0.166 4.154 4.320 -0.000 0.000 0.201 201 K C 1.616 178.232 176.600 0.026 0.000 1.046 201 K CA 1.178 57.453 56.287 -0.019 0.000 0.940 201 K CB -0.113 32.372 32.500 -0.026 0.000 0.748 201 K HN 0.387 nan 8.250 nan 0.000 0.465 202 K N -0.383 120.071 120.400 0.090 0.000 2.444 202 K HA -0.001 4.319 4.320 -0.000 0.000 0.193 202 K C 0.375 176.862 176.600 -0.189 0.000 1.024 202 K CA 0.571 56.854 56.287 -0.007 0.000 1.077 202 K CB 0.278 32.781 32.500 0.005 0.000 0.833 202 K HN 0.259 nan 8.250 nan 0.000 0.517 203 H N -1.797 117.354 119.070 0.134 0.000 3.771 203 H HA 0.179 4.735 4.556 -0.000 0.000 0.260 203 H C -0.584 174.836 175.328 0.153 0.000 1.158 203 H CA -0.212 55.943 56.048 0.177 0.000 1.170 203 H CB 1.167 31.117 29.762 0.313 0.000 1.539 203 H HN -0.188 nan 8.280 nan 0.000 0.634 204 V N 0.564 120.586 119.914 0.179 0.000 3.007 204 V HA 0.169 4.289 4.120 -0.000 0.000 0.311 204 V C -0.365 175.740 176.094 0.017 0.000 1.120 204 V CA -1.215 61.137 62.300 0.086 0.000 0.980 204 V CB 2.576 34.416 31.823 0.027 0.000 1.033 204 V HN 0.311 nan 8.190 nan 0.000 0.429 205 N N 1.964 120.666 118.700 0.003 0.000 2.439 205 N HA 0.312 5.052 4.740 -0.000 0.000 0.243 205 N C -0.991 174.487 175.510 -0.054 0.000 1.088 205 N CA -0.581 52.464 53.050 -0.009 0.000 0.940 205 N CB 0.613 39.110 38.487 0.017 0.000 1.180 205 N HN 0.538 nan 8.380 nan 0.000 0.505 206 L N 5.068 126.258 121.223 -0.055 0.000 2.283 206 L HA 0.312 4.652 4.340 -0.000 0.000 0.287 206 L C -0.569 176.263 176.870 -0.064 0.000 1.073 206 L CA -0.242 54.550 54.840 -0.080 0.000 0.822 206 L CB 0.205 42.211 42.059 -0.089 0.000 1.186 206 L HN 0.439 nan 8.230 nan 0.000 0.436 207 R N 6.592 127.036 120.500 -0.093 0.000 2.275 207 R HA 0.498 4.838 4.340 -0.000 0.000 0.326 207 R C -0.792 175.470 176.300 -0.062 0.000 0.973 207 R CA -0.481 55.580 56.100 -0.065 0.000 0.854 207 R CB 0.633 30.859 30.300 -0.123 0.000 1.156 207 R HN 0.619 nan 8.270 nan 0.000 0.487 208 L N 1.589 122.790 121.223 -0.037 0.000 2.397 208 L HA 0.306 4.646 4.340 -0.000 0.000 0.266 208 L C 1.189 178.048 176.870 -0.018 0.000 1.040 208 L CA -0.845 53.973 54.840 -0.036 0.000 0.800 208 L CB 0.451 42.487 42.059 -0.038 0.000 1.324 208 L HN 0.460 nan 8.230 nan 0.000 0.469 209 Q N -1.266 118.523 119.800 -0.018 0.000 2.315 209 Q HA -0.228 4.112 4.340 -0.000 0.000 0.221 209 Q C -0.486 175.515 176.000 0.001 0.000 0.780 209 Q CA 1.395 57.193 55.803 -0.008 0.000 1.357 209 Q CB -1.375 27.361 28.738 -0.005 0.000 1.766 209 Q HN 0.693 nan 8.270 nan 0.000 0.613 210 E N 0.058 120.259 120.200 0.002 0.000 2.242 210 E HA 0.503 4.853 4.350 -0.000 0.000 0.275 210 E C -0.399 176.206 176.600 0.009 0.000 1.002 210 E CA -0.658 55.752 56.400 0.017 0.000 0.841 210 E CB 0.839 30.560 29.700 0.036 0.000 1.109 210 E HN 0.010 nan 8.360 nan 0.000 0.394 211 I N 1.744 122.325 120.570 0.019 0.000 2.362 211 I HA 0.126 4.296 4.170 -0.000 0.000 0.289 211 I C 0.338 176.469 176.117 0.024 0.000 0.994 211 I CA -0.282 61.026 61.300 0.014 0.000 1.158 211 I CB 1.701 39.709 38.000 0.013 0.000 1.315 211 I HN 0.335 nan 8.210 nan 0.000 0.451 212 T N 6.645 121.210 114.554 0.018 0.000 2.900 212 T HA 0.232 4.582 4.350 -0.000 0.000 0.307 212 T C 1.152 175.867 174.700 0.025 0.000 1.065 212 T CA 0.196 62.313 62.100 0.027 0.000 1.105 212 T CB 0.539 69.416 68.868 0.016 0.000 0.979 212 T HN 0.521 nan 8.240 nan 0.000 0.544 213 M N 0.962 120.580 119.600 0.029 0.000 2.249 213 M HA 0.275 4.755 4.480 -0.000 0.000 0.318 213 M C 0.498 176.809 176.300 0.018 0.000 0.930 213 M CA -0.111 55.202 55.300 0.021 0.000 1.080 213 M CB 0.393 33.006 32.600 0.021 0.000 1.797 213 M HN 0.705 nan 8.290 nan 0.000 0.619 214 K N 1.873 122.286 120.400 0.022 0.000 3.120 214 K HA 0.547 4.867 4.320 -0.000 0.000 0.337 214 K C -1.735 174.878 176.600 0.021 0.000 1.147 214 K CA -0.627 55.670 56.287 0.017 0.000 0.901 214 K CB -0.330 nan 32.500 nan 0.000 1.386 214 K HN 0.376 nan 8.250 nan 0.000 0.391 215 I N 0.797 121.376 120.570 0.015 0.000 2.641 215 I HA 0.375 4.545 4.170 -0.000 0.000 0.275 215 I C 0.485 176.609 176.117 0.011 0.000 1.129 215 I CA -0.873 60.438 61.300 0.017 0.000 1.094 215 I CB 1.378 39.388 38.000 0.015 0.000 1.232 215 I HN 0.775 nan 8.210 nan 0.000 0.503 216 E N 3.968 124.176 120.200 0.013 0.000 2.391 216 E HA 0.746 5.096 4.350 -0.000 0.000 0.255 216 E C 0.216 176.822 176.600 0.010 0.000 1.187 216 E CA -0.460 55.945 56.400 0.009 0.000 0.941 216 E CB 1.575 31.280 29.700 0.008 0.000 1.010 216 E HN 0.779 nan 8.360 nan 0.000 0.458 217 G N -0.088 108.716 108.800 0.007 0.000 2.320 217 G HA2 0.071 4.031 3.960 -0.000 0.000 0.297 217 G HA3 0.071 4.031 3.960 -0.000 0.000 0.297 217 G C -0.448 174.455 174.900 0.005 0.000 1.344 217 G CA -0.542 44.562 45.100 0.008 0.000 0.851 217 G HN 0.345 nan 8.290 nan 0.000 0.567 218 E N -0.218 119.985 120.200 0.006 0.000 2.156 218 E HA 0.171 4.521 4.350 -0.000 0.000 0.225 218 E C 1.838 178.440 176.600 0.003 0.000 0.906 218 E CA 0.398 56.801 56.400 0.005 0.000 0.988 218 E CB -0.092 29.613 29.700 0.007 0.000 1.151 218 E HN 0.450 nan 8.360 nan 0.000 0.504 219 E N 0.869 121.070 120.200 0.002 0.000 2.340 219 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 219 E C 0.563 177.159 176.600 -0.006 0.000 0.996 219 E CA 0.274 56.674 56.400 -0.001 0.000 0.869 219 E CB 0.510 30.211 29.700 0.002 0.000 0.835 219 E HN 0.239 nan 8.360 nan 0.000 0.493 220 R N -0.833 119.665 120.500 -0.004 0.000 2.807 220 R HA 0.636 4.976 4.340 -0.000 0.000 0.276 220 R C 0.259 176.572 176.300 0.021 0.000 0.979 220 R CA -0.655 55.453 56.100 0.014 0.000 0.928 220 R CB 0.852 31.157 30.300 0.007 0.000 1.191 220 R HN -0.169 nan 8.270 nan 0.000 0.471 221 V N 0.945 120.877 119.914 0.030 0.000 2.720 221 V HA 0.250 4.370 4.120 -0.000 0.000 0.307 221 V C 1.030 177.144 176.094 0.032 0.000 1.071 221 V CA 1.464 63.779 62.300 0.024 0.000 1.199 221 V CB 0.057 31.893 31.823 0.021 0.000 0.900 221 V HN 1.104 nan 8.190 nan 0.000 0.494 222 E N 3.195 123.410 120.200 0.025 0.000 2.357 222 E HA 0.608 4.958 4.350 -0.000 0.000 0.202 222 E C 1.099 177.717 176.600 0.029 0.000 0.855 222 E CA 1.250 57.665 56.400 0.025 0.000 1.048 222 E CB -0.036 29.675 29.700 0.018 0.000 1.037 222 E HN 1.839 nan 8.360 nan 0.000 0.499 223 K N -0.357 120.061 120.400 0.030 0.000 2.502 223 K HA 0.799 5.119 4.320 -0.000 0.000 0.257 223 K C -0.910 175.721 176.600 0.051 0.000 0.938 223 K CA -0.017 56.294 56.287 0.041 0.000 0.819 223 K CB 1.407 33.924 32.500 0.027 0.000 1.333 223 K HN 0.865 nan 8.250 nan 0.000 0.434 224 V N 1.720 121.686 119.914 0.087 0.000 2.483 224 V HA 0.838 4.958 4.120 -0.000 0.000 0.295 224 V C -0.659 175.518 176.094 0.138 0.000 1.035 224 V CA -0.424 61.936 62.300 0.101 0.000 0.896 224 V CB 1.165 33.048 31.823 0.101 0.000 0.986 224 V HN 1.157 nan 8.190 nan 0.000 0.447 225 V N 6.408 126.381 119.914 0.098 0.000 2.588 225 V HA 0.877 4.997 4.120 -0.000 0.000 0.304 225 V C -0.389 175.759 176.094 0.090 0.000 1.042 225 V CA 0.641 62.993 62.300 0.087 0.000 0.877 225 V CB 2.079 33.923 31.823 0.035 0.000 0.996 225 V HN 1.236 nan 8.190 nan 0.000 0.425 226 T N 2.716 117.340 114.554 0.115 0.000 2.901 226 T HA 0.383 4.733 4.350 -0.000 0.000 0.293 226 T C -0.157 174.584 174.700 0.068 0.000 1.084 226 T CA -0.031 62.128 62.100 0.098 0.000 1.008 226 T CB 1.712 70.664 68.868 0.139 0.000 1.170 226 T HN 0.940 nan 8.240 nan 0.000 0.509 227 D N 1.344 121.773 120.400 0.049 0.000 2.892 227 D HA 0.289 4.929 4.640 -0.000 0.000 0.229 227 D C 0.765 177.085 176.300 0.033 0.000 1.124 227 D CA 0.312 54.331 54.000 0.031 0.000 1.060 227 D CB -0.582 40.231 40.800 0.023 0.000 1.182 227 D HN 0.766 nan 8.370 nan 0.000 0.439 228 A N -0.988 121.855 122.820 0.037 0.000 2.509 228 A HA 0.537 4.857 4.320 -0.000 0.000 0.169 228 A C 0.747 178.327 177.584 -0.006 0.000 1.956 228 A CA 0.125 52.180 52.037 0.030 0.000 1.166 228 A CB 0.227 19.263 19.000 0.061 0.000 1.180 228 A HN 0.854 nan 8.150 nan 0.000 0.406 229 G N -1.898 106.884 108.800 -0.029 0.000 2.324 229 G HA2 0.670 4.630 3.960 -0.000 0.000 0.293 229 G HA3 0.670 4.630 3.960 -0.000 0.000 0.293 229 G C -1.084 173.674 174.900 -0.238 0.000 1.297 229 G CA 0.956 45.949 45.100 -0.178 0.000 0.853 229 G HN 1.235 nan 8.290 nan 0.000 0.535 230 E N -1.354 118.591 120.200 -0.426 0.000 2.336 230 E HA 0.826 5.176 4.350 -0.000 0.000 0.267 230 E C -1.830 174.426 176.600 -0.574 0.000 0.906 230 E CA -0.978 55.244 56.400 -0.298 0.000 0.781 230 E CB 2.117 31.737 29.700 -0.133 0.000 1.261 230 E HN 1.008 nan 8.360 nan 0.000 0.436 231 Y N 0.083 120.380 120.300 -0.006 0.000 2.421 231 Y HA 0.456 5.006 4.550 -0.000 0.000 0.339 231 Y C 0.199 176.094 175.900 -0.008 0.000 0.996 231 Y CA -1.375 56.720 58.100 -0.007 0.000 1.046 231 Y CB 2.531 40.986 38.460 -0.009 0.000 1.226 231 Y HN 0.608 nan 8.280 nan 0.000 0.445 232 K N 2.321 122.790 120.400 0.115 0.000 2.489 232 K HA 0.558 4.878 4.320 -0.000 0.000 0.278 232 K C -0.893 175.749 176.600 0.071 0.000 1.000 232 K CA 0.483 56.811 56.287 0.068 0.000 1.012 232 K CB 0.153 32.681 32.500 0.046 0.000 0.903 232 K HN 0.806 nan 8.250 nan 0.000 0.485 233 A N 4.532 127.380 122.820 0.047 0.000 2.500 233 A HA 0.338 4.658 4.320 -0.000 0.000 0.291 233 A C -1.012 176.588 177.584 0.028 0.000 1.048 233 A CA -0.760 51.294 52.037 0.028 0.000 0.791 233 A CB 1.076 20.096 19.000 0.032 0.000 1.309 233 A HN 0.805 nan 8.150 nan 0.000 0.397 234 E N 1.166 121.380 120.200 0.023 0.000 2.603 234 E HA 0.388 4.738 4.350 -0.000 0.000 0.211 234 E C -0.545 176.124 176.600 0.115 0.000 0.995 234 E CA 0.010 56.450 56.400 0.067 0.000 0.990 234 E CB 1.448 31.186 29.700 0.065 0.000 1.036 234 E HN 0.367 nan 8.360 nan 0.000 0.475 235 L N 0.979 122.218 121.223 0.026 0.000 2.611 235 L HA 0.419 4.759 4.340 -0.000 0.000 0.260 235 L C -1.757 175.080 176.870 -0.055 0.000 0.924 235 L CA -1.023 53.808 54.840 -0.015 0.000 0.901 235 L CB 1.825 43.812 42.059 -0.120 0.000 1.369 235 L HN -0.082 nan 8.230 nan 0.000 0.415 236 V N 2.666 122.582 119.914 0.003 0.000 2.760 236 V HA 0.707 4.827 4.120 -0.000 0.000 0.309 236 V C -0.611 175.524 176.094 0.069 0.000 1.077 236 V CA -0.743 61.562 62.300 0.007 0.000 0.910 236 V CB 2.454 34.281 31.823 0.007 0.000 1.008 236 V HN 0.493 nan 8.190 nan 0.000 0.424 237 I N 4.776 125.389 120.570 0.073 0.000 2.433 237 I HA 0.530 4.700 4.170 -0.000 0.000 0.292 237 I C -0.896 175.267 176.117 0.076 0.000 1.001 237 I CA -0.808 60.565 61.300 0.121 0.000 1.119 237 I CB 1.847 39.962 38.000 0.192 0.000 1.289 237 I HN 0.446 nan 8.210 nan 0.000 0.438 238 L N 5.460 126.724 121.223 0.070 0.000 2.265 238 L HA 0.534 4.874 4.340 -0.000 0.000 0.289 238 L C 0.694 177.595 176.870 0.052 0.000 1.033 238 L CA -0.298 54.570 54.840 0.046 0.000 0.814 238 L CB 1.071 43.151 42.059 0.034 0.000 1.203 238 L HN 0.748 nan 8.230 nan 0.000 0.423 239 A N 1.317 124.163 122.820 0.044 0.000 2.855 239 A HA 0.314 4.634 4.320 -0.000 0.000 0.301 239 A C 1.092 178.699 177.584 0.038 0.000 1.076 239 A CA 0.178 52.242 52.037 0.046 0.000 1.004 239 A CB -0.422 18.607 19.000 0.047 0.000 1.152 239 A HN 0.704 nan 8.150 nan 0.000 0.531 240 T N -3.358 111.218 114.554 0.036 0.000 3.148 240 T HA 0.472 4.822 4.350 -0.000 0.000 0.253 240 T C 0.898 175.626 174.700 0.047 0.000 1.134 240 T CA 0.617 62.737 62.100 0.033 0.000 1.051 240 T CB 0.047 68.931 68.868 0.027 0.000 0.959 240 T HN 1.697 nan 8.240 nan 0.000 0.525 241 G N 0.112 108.949 108.800 0.061 0.000 2.347 241 G HA2 0.370 4.330 3.960 -0.000 0.000 0.321 241 G HA3 0.370 4.330 3.960 -0.000 0.000 0.321 241 G C -2.028 172.934 174.900 0.104 0.000 1.412 241 G CA -0.820 44.331 45.100 0.084 0.000 0.990 241 G HN 0.432 nan 8.290 nan 0.000 0.637 242 I N -0.175 120.488 120.570 0.155 0.000 2.769 242 I HA 0.785 4.955 4.170 -0.000 0.000 0.298 242 I C -0.654 175.668 176.117 0.342 0.000 1.128 242 I CA -1.060 60.365 61.300 0.208 0.000 1.031 242 I CB 2.137 40.238 38.000 0.169 0.000 1.235 242 I HN 0.633 nan 8.210 nan 0.000 0.423 243 K N 6.507 127.076 120.400 0.282 0.000 2.435 243 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 243 K C -2.823 173.827 176.600 0.083 0.000 0.954 243 K CA -1.903 54.473 56.287 0.147 0.000 0.820 243 K CB 2.564 35.084 32.500 0.034 0.000 1.292 243 K HN 0.163 nan 8.250 nan 0.000 0.436 244 P HA 0.165 nan 4.420 nan 0.000 0.279 244 P C -1.190 176.059 177.300 -0.085 0.000 1.239 244 P CA -0.490 62.506 63.100 -0.173 0.000 0.789 244 P CB 0.438 31.823 31.700 -0.525 0.000 0.933 245 N N 3.040 121.736 118.700 -0.006 0.000 2.739 245 N HA 0.081 4.821 4.740 -0.000 0.000 0.266 245 N C 0.924 176.406 175.510 -0.047 0.000 1.168 245 N CA 0.029 53.078 53.050 -0.002 0.000 1.055 245 N CB -0.314 38.203 38.487 0.050 0.000 1.393 245 N HN 0.482 nan 8.380 nan 0.000 0.514 246 I N -2.173 118.338 120.570 -0.098 0.000 3.783 246 I HA 0.139 4.309 4.170 -0.000 0.000 0.310 246 I C 1.276 177.305 176.117 -0.146 0.000 1.274 246 I CA 0.031 61.237 61.300 -0.157 0.000 1.294 246 I CB 0.198 38.092 38.000 -0.177 0.000 1.051 246 I HN -0.081 nan 8.210 nan 0.000 0.435 247 E N 1.873 122.024 120.200 -0.082 0.000 2.086 247 E HA -0.244 4.106 4.350 -0.000 0.000 0.200 247 E C 2.107 178.677 176.600 -0.050 0.000 1.012 247 E CA 1.342 57.709 56.400 -0.055 0.000 0.812 247 E CB -0.439 29.249 29.700 -0.020 0.000 0.743 247 E HN 0.428 nan 8.360 nan 0.000 0.453 248 L N 0.508 121.716 121.223 -0.024 0.000 2.131 248 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 248 L C 2.213 179.072 176.870 -0.018 0.000 1.092 248 L CA 1.655 56.527 54.840 0.052 0.000 0.759 248 L CB -0.804 41.366 42.059 0.185 0.000 0.903 248 L HN 0.072 nan 8.230 nan 0.000 0.435 249 A N -1.519 121.086 122.820 -0.359 0.000 1.975 249 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 249 A C 2.260 179.676 177.584 -0.281 0.000 1.170 249 A CA 0.892 52.503 52.037 -0.710 0.000 0.656 249 A CB -0.289 17.989 19.000 -1.203 0.000 0.821 249 A HN 0.335 nan 8.150 nan 0.000 0.449 250 K N -0.434 119.852 120.400 -0.189 0.000 2.280 250 K HA -0.163 4.156 4.320 -0.000 0.000 0.202 250 K C 2.161 178.728 176.600 -0.055 0.000 1.047 250 K CA 1.311 57.534 56.287 -0.107 0.000 0.942 250 K CB -0.069 32.379 32.500 -0.086 0.000 0.739 250 K HN 0.657 nan 8.250 nan 0.000 0.457 251 Q N 0.720 120.499 119.800 -0.035 0.000 2.172 251 Q HA -0.046 4.294 4.340 -0.000 0.000 0.200 251 Q C 1.735 177.751 176.000 0.026 0.000 0.964 251 Q CA 0.746 56.552 55.803 0.004 0.000 0.855 251 Q CB 0.206 28.959 28.738 0.024 0.000 0.918 251 Q HN 0.300 nan 8.270 nan 0.000 0.444 252 L N -0.819 120.434 121.223 0.049 0.000 2.591 252 L HA 0.140 4.480 4.340 -0.000 0.000 0.228 252 L C 0.765 177.671 176.870 0.059 0.000 1.133 252 L CA 0.674 55.574 54.840 0.100 0.000 0.880 252 L CB 0.099 42.296 42.059 0.230 0.000 1.033 252 L HN 0.562 nan 8.230 nan 0.000 0.450 253 G N 0.182 108.988 108.800 0.010 0.000 2.143 253 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 253 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 253 G C 0.246 175.138 174.900 -0.014 0.000 0.991 253 G CA 0.263 45.361 45.100 -0.005 0.000 0.689 253 G HN 0.136 nan 8.290 nan 0.000 0.522 254 V N 1.164 121.062 119.914 -0.027 0.000 2.655 254 V HA 0.213 4.333 4.120 -0.000 0.000 0.300 254 V C 1.477 177.544 176.094 -0.046 0.000 1.044 254 V CA 0.060 62.343 62.300 -0.028 0.000 1.095 254 V CB 1.253 33.030 31.823 -0.077 0.000 0.952 254 V HN 0.558 nan 8.190 nan 0.000 0.485 255 R N 4.690 125.173 120.500 -0.028 0.000 2.401 255 R HA 0.296 4.636 4.340 -0.000 0.000 0.299 255 R C -0.510 175.801 176.300 0.018 0.000 1.064 255 R CA -0.428 55.641 56.100 -0.052 0.000 1.000 255 R CB 0.250 30.457 30.300 -0.156 0.000 0.973 255 R HN 0.711 nan 8.270 nan 0.000 0.438 256 I N 1.915 122.477 120.570 -0.012 0.000 2.377 256 I HA 0.507 4.677 4.170 -0.000 0.000 0.293 256 I C 0.502 176.644 176.117 0.042 0.000 0.987 256 I CA -0.507 60.796 61.300 0.004 0.000 1.185 256 I CB 1.809 39.767 38.000 -0.070 0.000 1.341 256 I HN 0.608 nan 8.210 nan 0.000 0.455 257 G N 3.575 112.442 108.800 0.112 0.000 2.750 257 G HA2 0.068 4.028 3.960 -0.000 0.000 0.250 257 G HA3 0.068 4.028 3.960 -0.000 0.000 0.250 257 G C 0.375 175.309 174.900 0.056 0.000 1.230 257 G CA -0.155 45.033 45.100 0.147 0.000 0.883 257 G HN 0.861 nan 8.290 nan 0.000 0.573 258 E N -1.113 119.134 120.200 0.078 0.000 2.268 258 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 258 E C 2.733 179.349 176.600 0.027 0.000 0.995 258 E CA 1.606 58.032 56.400 0.043 0.000 0.836 258 E CB -0.074 29.661 29.700 0.058 0.000 0.763 258 E HN 0.559 nan 8.360 nan 0.000 0.491 259 T N -4.428 110.145 114.554 0.032 0.000 3.055 259 T HA 0.159 4.509 4.350 -0.000 0.000 0.265 259 T C 1.636 176.284 174.700 -0.087 0.000 1.111 259 T CA 0.742 62.856 62.100 0.022 0.000 1.118 259 T CB 0.264 69.184 68.868 0.087 0.000 0.909 259 T HN 0.234 nan 8.240 nan 0.000 0.501 260 G N 0.742 109.462 108.800 -0.134 0.000 2.201 260 G HA2 0.084 4.044 3.960 -0.000 0.000 0.212 260 G HA3 0.084 4.044 3.960 -0.000 0.000 0.212 260 G C 0.231 174.916 174.900 -0.358 0.000 0.994 260 G CA -0.150 44.818 45.100 -0.222 0.000 0.644 260 G HN 1.097 nan 8.290 nan 0.000 0.508 261 A N -0.206 122.375 122.820 -0.398 0.000 2.261 261 A HA 0.851 5.171 4.320 -0.000 0.000 0.323 261 A C 0.453 177.931 177.584 -0.178 0.000 1.107 261 A CA -0.665 51.109 52.037 -0.439 0.000 0.883 261 A CB 0.626 19.248 19.000 -0.629 0.000 1.251 261 A HN 0.712 nan 8.150 nan 0.000 0.502 262 I N 0.639 121.133 120.570 -0.126 0.000 2.598 262 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 262 I C 0.069 176.220 176.117 0.057 0.000 1.140 262 I CA 0.240 61.520 61.300 -0.034 0.000 1.420 262 I CB 0.409 38.377 38.000 -0.053 0.000 1.387 262 I HN 0.757 nan 8.210 nan 0.000 0.553 263 W N 7.659 128.928 121.300 -0.051 0.000 2.193 263 W HA 0.192 4.852 4.660 -0.000 0.000 0.338 263 W C 0.132 176.656 176.519 0.007 0.000 1.310 263 W CA 0.610 57.947 57.345 -0.014 0.000 1.243 263 W CB 0.707 30.156 29.460 -0.019 0.000 1.165 263 W HN 0.410 nan 8.180 nan 0.000 0.566 264 T N 5.011 119.022 114.554 -0.905 0.000 2.843 264 T HA 0.276 4.626 4.350 -0.000 0.000 0.302 264 T C -0.577 173.435 174.700 -1.147 0.000 1.232 264 T CA -0.833 60.818 62.100 -0.748 0.000 1.009 264 T CB 0.938 69.642 68.868 -0.273 0.000 1.254 264 T HN 0.566 nan 8.240 nan 0.000 0.504 265 N N 0.251 118.583 118.700 -0.613 0.000 2.815 265 N HA 0.376 5.116 4.740 -0.000 0.000 0.315 265 N C 0.608 176.068 175.510 -0.082 0.000 1.320 265 N CA -0.708 52.125 53.050 -0.361 0.000 0.846 265 N CB 0.223 38.637 38.487 -0.121 0.000 1.344 265 N HN 0.612 nan 8.380 nan 0.000 0.593 266 E N -0.710 119.516 120.200 0.044 0.000 2.396 266 E HA -0.113 4.237 4.350 -0.000 0.000 0.200 266 E C 0.319 177.054 176.600 0.225 0.000 1.023 266 E CA 0.925 57.432 56.400 0.177 0.000 0.857 266 E CB -0.069 29.774 29.700 0.238 0.000 0.775 266 E HN 0.488 nan 8.360 nan 0.000 0.525 267 K N -0.313 120.184 120.400 0.161 0.000 2.358 267 K HA 0.135 4.455 4.320 -0.000 0.000 0.197 267 K C 0.017 176.740 176.600 0.205 0.000 1.025 267 K CA -0.067 56.318 56.287 0.163 0.000 1.104 267 K CB 0.719 33.316 32.500 0.161 0.000 0.855 267 K HN -0.013 nan 8.250 nan 0.000 0.531 268 M N -0.036 119.630 119.600 0.110 0.000 2.921 268 M HA -0.205 4.275 4.480 -0.000 0.000 0.206 268 M C -0.669 175.646 176.300 0.026 0.000 0.574 268 M CA 1.088 56.448 55.300 0.099 0.000 0.746 268 M CB -2.807 29.894 32.600 0.168 0.000 2.693 268 M HN 0.219 nan 8.290 nan 0.000 0.439 269 Q N 0.513 120.222 119.800 -0.152 0.000 2.299 269 Q HA 0.536 4.876 4.340 -0.000 0.000 0.246 269 Q C 1.140 177.091 176.000 -0.082 0.000 0.935 269 Q CA 0.423 55.994 55.803 -0.386 0.000 0.887 269 Q CB 1.239 29.795 28.738 -0.304 0.000 1.223 269 Q HN 0.509 nan 8.270 nan 0.000 0.439 270 T N -2.652 111.891 114.554 -0.018 0.000 2.893 270 T HA 0.192 4.542 4.350 -0.000 0.000 0.279 270 T C 1.183 176.031 174.700 0.246 0.000 0.991 270 T CA -0.186 62.033 62.100 0.199 0.000 0.950 270 T CB 0.931 69.893 68.868 0.157 0.000 1.223 270 T HN 0.602 nan 8.240 nan 0.000 0.585 271 S N -0.958 114.874 115.700 0.220 0.000 2.555 271 S HA 0.119 4.589 4.470 -0.000 0.000 0.230 271 S C 0.573 175.203 174.600 0.050 0.000 0.978 271 S CA -0.297 57.940 58.200 0.061 0.000 0.934 271 S CB -0.547 62.602 63.200 -0.084 0.000 0.766 271 S HN 0.564 nan 8.310 nan 0.000 0.533 272 V N 2.128 122.092 119.914 0.083 0.000 2.472 272 V HA 0.346 4.466 4.120 -0.000 0.000 0.290 272 V C 0.237 176.392 176.094 0.100 0.000 1.037 272 V CA -1.048 61.309 62.300 0.094 0.000 0.908 272 V CB 1.502 33.407 31.823 0.135 0.000 0.985 272 V HN 0.433 nan 8.190 nan 0.000 0.454 273 E N 4.582 124.843 120.200 0.101 0.000 2.465 273 E HA -0.027 4.323 4.350 -0.000 0.000 0.260 273 E C 0.455 177.159 176.600 0.173 0.000 0.980 273 E CA 0.267 56.733 56.400 0.110 0.000 0.927 273 E CB 0.125 29.881 29.700 0.093 0.000 0.934 273 E HN 0.734 nan 8.360 nan 0.000 0.459 274 N N 1.422 120.240 118.700 0.196 0.000 2.753 274 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 274 N C -1.288 174.432 175.510 0.349 0.000 1.097 274 N CA 0.944 54.206 53.050 0.355 0.000 0.786 274 N CB -1.196 37.434 38.487 0.239 0.000 1.137 274 N HN 0.180 nan 8.380 nan 0.000 0.566 275 V N 1.443 121.458 119.914 0.169 0.000 2.357 275 V HA 0.436 4.556 4.120 -0.000 0.000 0.284 275 V C 0.098 176.229 176.094 0.062 0.000 1.018 275 V CA -0.581 61.783 62.300 0.106 0.000 0.841 275 V CB 0.973 32.875 31.823 0.131 0.000 0.991 275 V HN 0.070 nan 8.190 nan 0.000 0.437 276 Y N 2.291 122.624 120.300 0.054 0.000 2.568 276 Y HA 0.852 5.402 4.550 -0.000 0.000 0.327 276 Y C 0.415 176.375 175.900 0.100 0.000 1.163 276 Y CA -0.706 57.436 58.100 0.071 0.000 1.219 276 Y CB 2.098 40.574 38.460 0.025 0.000 1.308 276 Y HN 0.682 nan 8.280 nan 0.000 0.503 277 A N 0.638 123.601 122.820 0.239 0.000 2.513 277 A HA 0.856 5.176 4.320 -0.000 0.000 0.296 277 A C -1.709 175.945 177.584 0.117 0.000 1.052 277 A CA -0.122 52.034 52.037 0.198 0.000 0.714 277 A CB 0.922 20.038 19.000 0.195 0.000 1.279 277 A HN 1.011 nan 8.150 nan 0.000 0.397 278 A N 0.802 123.677 122.820 0.091 0.000 2.594 278 A HA 1.075 5.395 4.320 -0.000 0.000 0.291 278 A C 0.522 178.132 177.584 0.043 0.000 1.105 278 A CA 0.250 52.305 52.037 0.030 0.000 0.694 278 A CB 0.749 19.739 19.000 -0.017 0.000 1.291 278 A HN 2.965 nan 8.150 nan 0.000 0.410 279 G N 0.402 109.213 108.800 0.018 0.000 2.527 279 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.227 279 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.227 279 G C 0.078 175.057 174.900 0.131 0.000 1.291 279 G CA 0.498 45.626 45.100 0.046 0.000 0.904 279 G HN 0.840 nan 8.290 nan 0.000 0.577 280 D N 0.414 120.909 120.400 0.159 0.000 2.351 280 D HA -0.037 4.603 4.640 -0.000 0.000 0.216 280 D C 2.624 179.184 176.300 0.434 0.000 0.968 280 D CA 1.709 55.894 54.000 0.309 0.000 0.899 280 D CB -0.196 40.742 40.800 0.230 0.000 0.907 280 D HN 0.734 nan 8.370 nan 0.000 0.514 281 V N -1.280 118.772 119.914 0.229 0.000 2.649 281 V HA 0.211 4.330 4.120 -0.000 0.000 0.248 281 V C 1.267 177.393 176.094 0.054 0.000 1.054 281 V CA 0.312 62.678 62.300 0.109 0.000 1.073 281 V CB -0.898 30.974 31.823 0.081 0.000 0.699 281 V HN 0.078 nan 8.190 nan 0.000 0.463 282 A N 1.168 124.065 122.820 0.128 0.000 2.371 282 A HA 0.453 4.773 4.320 -0.000 0.000 0.257 282 A C 0.199 177.884 177.584 0.167 0.000 1.089 282 A CA -0.254 51.840 52.037 0.095 0.000 0.794 282 A CB 0.249 19.294 19.000 0.074 0.000 1.029 282 A HN 0.588 nan 8.150 nan 0.000 0.488 283 E N 1.590 121.836 120.200 0.076 0.000 2.156 283 E HA 0.441 4.791 4.350 -0.000 0.000 0.279 283 E C -0.242 176.393 176.600 0.058 0.000 0.965 283 E CA -0.319 56.150 56.400 0.115 0.000 0.789 283 E CB 1.079 30.800 29.700 0.035 0.000 1.098 283 E HN 0.633 nan 8.360 nan 0.000 0.397 284 T N 2.642 117.272 114.554 0.126 0.000 2.797 284 T HA 0.580 4.930 4.350 -0.000 0.000 0.267 284 T C -0.756 173.989 174.700 0.075 0.000 0.986 284 T CA -0.709 61.453 62.100 0.103 0.000 0.999 284 T CB 0.719 69.731 68.868 0.240 0.000 1.508 284 T HN 0.632 nan 8.240 nan 0.000 0.595 285 R N 0.399 120.935 120.500 0.060 0.000 2.711 285 R HA 0.519 4.859 4.340 -0.000 0.000 0.284 285 R C -0.494 175.826 176.300 0.032 0.000 0.968 285 R CA -0.903 55.225 56.100 0.045 0.000 0.924 285 R CB 0.611 30.916 30.300 0.008 0.000 1.162 285 R HN 0.585 nan 8.270 nan 0.000 0.465 286 H N 2.346 121.417 119.070 0.002 0.000 2.690 286 H HA 0.098 4.654 4.556 -0.000 0.000 0.314 286 H C 0.748 176.061 175.328 -0.026 0.000 1.069 286 H CA 0.060 56.104 56.048 -0.007 0.000 1.436 286 H CB 1.562 31.334 29.762 0.017 0.000 1.462 286 H HN 0.521 nan 8.280 nan 0.000 0.511 287 V N 6.272 125.999 119.914 -0.312 0.000 2.594 287 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 287 V C 2.163 178.247 176.094 -0.016 0.000 1.069 287 V CA 1.540 63.736 62.300 -0.174 0.000 1.082 287 V CB -0.325 31.352 31.823 -0.243 0.000 0.680 287 V HN 0.704 nan 8.190 nan 0.000 0.469 288 I N -0.038 120.618 120.570 0.144 0.000 2.499 288 I HA -0.095 4.075 4.170 -0.000 0.000 0.243 288 I C 2.464 178.742 176.117 0.267 0.000 1.085 288 I CA 1.591 63.029 61.300 0.232 0.000 1.422 288 I CB -0.472 37.681 38.000 0.256 0.000 1.165 288 I HN 0.336 nan 8.210 nan 0.000 0.440 289 T N -0.908 113.843 114.554 0.330 0.000 3.023 289 T HA 0.149 4.499 4.350 -0.000 0.000 0.266 289 T C 1.692 176.477 174.700 0.141 0.000 1.093 289 T CA 0.699 62.919 62.100 0.199 0.000 1.129 289 T CB 0.024 68.940 68.868 0.080 0.000 0.899 289 T HN 0.577 nan 8.240 nan 0.000 0.491 290 G N 2.374 111.270 108.800 0.161 0.000 2.328 290 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.256 290 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.256 290 G C 0.481 175.437 174.900 0.093 0.000 1.014 290 G CA 0.120 45.281 45.100 0.100 0.000 0.620 290 G HN 0.665 nan 8.290 nan 0.000 0.530 291 R N 0.392 120.948 120.500 0.095 0.000 2.726 291 R HA 0.494 4.834 4.340 -0.000 0.000 0.272 291 R C 0.458 176.819 176.300 0.101 0.000 1.097 291 R CA -0.470 55.680 56.100 0.083 0.000 1.198 291 R CB 0.146 30.482 30.300 0.059 0.000 1.114 291 R HN 0.206 nan 8.270 nan 0.000 0.550 292 R N 0.628 121.186 120.500 0.098 0.000 2.490 292 R HA 0.311 4.651 4.340 -0.000 0.000 0.280 292 R C 0.255 176.628 176.300 0.122 0.000 1.077 292 R CA -0.339 55.822 56.100 0.101 0.000 1.065 292 R CB 0.560 30.923 30.300 0.104 0.000 1.003 292 R HN 0.615 nan 8.270 nan 0.000 0.470 293 V N -1.327 118.676 119.914 0.149 0.000 3.165 293 V HA 0.634 4.754 4.120 -0.000 0.000 0.309 293 V C -1.652 174.608 176.094 0.277 0.000 1.267 293 V CA -1.203 61.211 62.300 0.189 0.000 1.067 293 V CB 2.657 34.596 31.823 0.193 0.000 1.082 293 V HN 0.810 nan 8.190 nan 0.000 0.451 294 W N 1.142 122.474 121.300 0.054 0.000 2.543 294 W HA 0.804 5.464 4.660 -0.000 0.000 0.318 294 W C -1.580 174.966 176.519 0.045 0.000 1.002 294 W CA -1.331 56.041 57.345 0.044 0.000 1.302 294 W CB 1.591 31.073 29.460 0.036 0.000 1.299 294 W HN 0.484 nan 8.180 nan 0.000 0.424 295 V N 8.812 128.629 119.914 -0.162 0.000 2.260 295 V HA 0.237 4.357 4.120 -0.000 0.000 0.263 295 V C -1.624 174.253 176.094 -0.361 0.000 1.036 295 V CA -1.385 60.752 62.300 -0.270 0.000 0.874 295 V CB 0.926 32.701 31.823 -0.080 0.000 1.116 295 V HN 0.375 nan 8.190 nan 0.000 0.454 296 P HA 0.146 nan 4.420 nan 0.000 0.245 296 P C -0.773 176.364 177.300 -0.272 0.000 1.670 296 P CA 0.049 62.872 63.100 -0.462 0.000 1.146 296 P CB 0.443 31.721 31.700 -0.703 0.000 1.954 297 L N 1.481 122.594 121.223 -0.183 0.000 2.365 297 L HA 0.457 4.797 4.340 -0.000 0.000 0.273 297 L C 1.583 178.399 176.870 -0.089 0.000 1.000 297 L CA -0.744 54.008 54.840 -0.145 0.000 0.819 297 L CB 1.323 43.291 42.059 -0.152 0.000 1.284 297 L HN 0.084 nan 8.230 nan 0.000 0.418 298 A N 4.724 127.498 122.820 -0.078 0.000 1.948 298 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 298 A C -0.788 176.768 177.584 -0.047 0.000 1.177 298 A CA 1.819 53.824 52.037 -0.053 0.000 0.636 298 A CB -1.456 17.516 19.000 -0.047 0.000 0.815 298 A HN 0.742 nan 8.150 nan 0.000 0.449 299 P HA -0.087 nan 4.420 nan 0.000 0.215 299 P C 1.779 179.063 177.300 -0.027 0.000 1.157 299 P CA 1.870 64.948 63.100 -0.037 0.000 0.863 299 P CB -0.111 31.570 31.700 -0.033 0.000 0.787 300 A N -0.151 122.662 122.820 -0.011 0.000 1.898 300 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 300 A C 2.491 180.008 177.584 -0.111 0.000 1.181 300 A CA 1.953 53.997 52.037 0.013 0.000 0.620 300 A CB -1.918 17.137 19.000 0.092 0.000 0.819 300 A HN 0.256 nan 8.150 nan 0.000 0.442 301 G N 0.127 108.881 108.800 -0.078 0.000 2.476 301 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 301 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 301 G C 1.514 176.359 174.900 -0.090 0.000 1.164 301 G CA 1.066 46.118 45.100 -0.080 0.000 0.768 301 G HN 0.548 nan 8.290 nan 0.000 0.560 302 N N 0.699 119.359 118.700 -0.066 0.000 2.069 302 N HA -0.095 4.645 4.740 -0.000 0.000 0.191 302 N C 2.224 177.704 175.510 -0.050 0.000 1.031 302 N CA 1.302 54.324 53.050 -0.046 0.000 0.852 302 N CB -0.190 38.273 38.487 -0.041 0.000 1.018 302 N HN 0.394 nan 8.380 nan 0.000 0.423 303 K N 0.334 120.671 120.400 -0.104 0.000 2.155 303 K HA 0.058 4.378 4.320 -0.000 0.000 0.203 303 K C 2.155 178.622 176.600 -0.222 0.000 1.052 303 K CA 0.671 56.891 56.287 -0.112 0.000 0.948 303 K CB -0.041 32.414 32.500 -0.074 0.000 0.728 303 K HN 0.122 nan 8.250 nan 0.000 0.448 304 M N 0.183 119.526 119.600 -0.429 0.000 2.117 304 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 304 M C 2.281 178.471 176.300 -0.182 0.000 1.065 304 M CA 1.826 56.840 55.300 -0.477 0.000 1.114 304 M CB -0.411 31.940 32.600 -0.416 0.000 1.361 304 M HN 0.356 nan 8.290 nan 0.000 0.408 305 G N -1.464 107.275 108.800 -0.102 0.000 2.422 305 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 305 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 305 G C 1.317 176.190 174.900 -0.046 0.000 1.140 305 G CA 0.438 45.504 45.100 -0.056 0.000 0.775 305 G HN 0.451 nan 8.290 nan 0.000 0.545 306 Y N 1.406 121.628 120.300 -0.131 0.000 2.181 306 Y HA -0.147 4.403 4.550 -0.000 0.000 0.288 306 Y C 2.820 178.651 175.900 -0.114 0.000 1.146 306 Y CA 2.043 60.076 58.100 -0.112 0.000 1.164 306 Y CB -0.144 38.263 38.460 -0.089 0.000 0.982 306 Y HN 0.108 nan 8.280 nan 0.000 0.515 307 V N -0.827 119.110 119.914 0.039 0.000 2.591 307 V HA -0.012 4.108 4.120 -0.000 0.000 0.249 307 V C 2.187 178.216 176.094 -0.109 0.000 1.053 307 V CA 1.474 63.761 62.300 -0.021 0.000 1.068 307 V CB -1.303 30.570 31.823 0.083 0.000 0.689 307 V HN 0.397 nan 8.190 nan 0.000 0.462 308 A N 1.470 124.227 122.820 -0.105 0.000 1.865 308 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 308 A C 2.435 179.762 177.584 -0.429 0.000 1.191 308 A CA 2.182 54.116 52.037 -0.172 0.000 0.623 308 A CB -1.662 17.292 19.000 -0.077 0.000 0.826 308 A HN 0.767 nan 8.150 nan 0.000 0.444 309 G N -0.968 107.625 108.800 -0.345 0.000 2.422 309 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.218 309 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.218 309 G C 1.808 176.456 174.900 -0.419 0.000 1.146 309 G CA 1.337 46.206 45.100 -0.386 0.000 0.769 309 G HN 0.485 nan 8.290 nan 0.000 0.547 310 S N 1.003 116.458 115.700 -0.408 0.000 2.348 310 S HA -0.134 4.336 4.470 -0.000 0.000 0.221 310 S C 2.336 176.763 174.600 -0.288 0.000 1.033 310 S CA 1.121 59.106 58.200 -0.358 0.000 1.010 310 S CB -0.297 62.720 63.200 -0.305 0.000 0.891 310 S HN 0.411 nan 8.310 nan 0.000 0.442 311 N N 1.387 119.936 118.700 -0.252 0.000 2.166 311 N HA 0.009 4.749 4.740 -0.000 0.000 0.186 311 N C 1.740 177.101 175.510 -0.248 0.000 1.019 311 N CA 0.981 53.934 53.050 -0.161 0.000 0.856 311 N CB -0.410 38.094 38.487 0.027 0.000 0.993 311 N HN 0.383 nan 8.380 nan 0.000 0.426 312 I N 1.359 121.616 120.570 -0.522 0.000 2.179 312 I HA -0.210 3.960 4.170 -0.000 0.000 0.242 312 I C 1.993 177.811 176.117 -0.499 0.000 1.088 312 I CA 0.960 61.871 61.300 -0.649 0.000 1.357 312 I CB -0.324 37.228 38.000 -0.748 0.000 1.051 312 I HN 0.037 nan 8.210 nan 0.000 0.409 313 A N 0.499 123.045 122.820 -0.456 0.000 2.264 313 A HA 0.191 4.511 4.320 -0.000 0.000 0.207 313 A C 1.727 179.107 177.584 -0.339 0.000 1.196 313 A CA 0.885 52.608 52.037 -0.524 0.000 0.778 313 A CB -1.008 17.680 19.000 -0.519 0.000 0.779 313 A HN 0.682 nan 8.150 nan 0.000 0.483 314 G N -0.897 107.782 108.800 -0.201 0.000 2.137 314 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.237 314 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.237 314 G C -0.093 174.752 174.900 -0.091 0.000 1.002 314 G CA 0.287 45.334 45.100 -0.089 0.000 0.702 314 G HN 0.430 nan 8.290 nan 0.000 0.515 315 K N 0.994 121.318 120.400 -0.127 0.000 2.507 315 K HA 0.269 4.589 4.320 -0.000 0.000 0.253 315 K C 0.157 176.696 176.600 -0.102 0.000 0.969 315 K CA -0.694 55.529 56.287 -0.107 0.000 0.908 315 K CB 1.413 33.833 32.500 -0.133 0.000 1.127 315 K HN 0.329 nan 8.250 nan 0.000 0.437 316 E N 2.160 122.314 120.200 -0.077 0.000 2.529 316 E HA -0.048 4.302 4.350 -0.000 0.000 0.259 316 E C -0.593 175.907 176.600 -0.167 0.000 0.966 316 E CA 0.547 56.873 56.400 -0.123 0.000 0.937 316 E CB 0.509 30.161 29.700 -0.080 0.000 0.923 316 E HN 0.247 nan 8.360 nan 0.000 0.468 317 L N 4.703 125.762 121.223 -0.273 0.000 2.641 317 L HA 0.201 4.541 4.340 -0.000 0.000 0.261 317 L C -1.465 175.256 176.870 -0.248 0.000 0.926 317 L CA -0.369 54.362 54.840 -0.181 0.000 0.917 317 L CB 1.562 43.595 42.059 -0.043 0.000 1.361 317 L HN 0.476 nan 8.230 nan 0.000 0.417 318 H N 4.131 123.265 119.070 0.107 0.000 2.463 318 H HA 0.402 4.957 4.556 -0.000 0.000 0.332 318 H C -1.264 174.169 175.328 0.175 0.000 1.127 318 H CA -0.387 55.733 56.048 0.120 0.000 1.238 318 H CB 1.968 31.773 29.762 0.072 0.000 1.478 318 H HN 0.544 nan 8.280 nan 0.000 0.499 319 F N 5.779 125.808 119.950 0.131 0.000 2.405 319 F HA 0.255 4.782 4.527 -0.000 0.000 0.355 319 F C -1.505 174.326 175.800 0.052 0.000 1.121 319 F CA -2.834 55.208 58.000 0.070 0.000 1.112 319 F CB 1.179 40.207 39.000 0.046 0.000 1.126 319 F HN 0.318 nan 8.300 nan 0.000 0.481 320 P HA 0.147 nan 4.420 nan 0.000 0.218 320 P C 0.340 177.313 177.300 -0.546 0.000 1.149 320 P CA 1.487 64.345 63.100 -0.402 0.000 0.817 320 P CB 0.230 31.739 31.700 -0.318 0.000 0.785 321 G N -0.909 107.218 108.800 -1.122 0.000 2.343 321 G HA2 0.163 4.123 3.960 -0.000 0.000 0.562 321 G HA3 0.163 4.123 3.960 -0.000 0.000 0.562 321 G C -1.010 173.539 174.900 -0.586 0.000 1.269 321 G CA -0.386 44.305 45.100 -0.682 0.000 1.011 321 G HN 0.325 nan 8.290 nan 0.000 0.498 322 V N -2.470 117.282 119.914 -0.271 0.000 3.019 322 V HA 0.861 4.981 4.120 -0.000 0.000 0.317 322 V C 0.797 176.649 176.094 -0.402 0.000 1.094 322 V CA -0.761 61.413 62.300 -0.210 0.000 1.000 322 V CB 1.760 33.567 31.823 -0.027 0.000 1.060 322 V HN 1.119 nan 8.190 nan 0.000 0.443 323 L N 2.165 123.200 121.223 -0.313 0.000 2.616 323 L HA 0.551 4.891 4.340 -0.000 0.000 0.229 323 L C 1.842 178.632 176.870 -0.132 0.000 1.110 323 L CA 1.563 56.187 54.840 -0.360 0.000 0.884 323 L CB -0.205 41.744 42.059 -0.185 0.000 1.115 323 L HN 1.357 nan 8.230 nan 0.000 0.481 324 G N -0.298 108.461 108.800 -0.067 0.000 2.143 324 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 324 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 324 G C 0.568 175.450 174.900 -0.031 0.000 0.991 324 G CA 0.513 45.622 45.100 0.016 0.000 0.689 324 G HN 0.308 nan 8.290 nan 0.000 0.522 325 T N 0.728 115.254 114.554 -0.047 0.000 2.946 325 T HA 0.527 4.877 4.350 -0.000 0.000 0.311 325 T C 0.549 175.213 174.700 -0.061 0.000 1.063 325 T CA 1.223 63.298 62.100 -0.042 0.000 1.139 325 T CB 1.383 70.226 68.868 -0.041 0.000 0.994 325 T HN 1.767 nan 8.240 nan 0.000 0.547 326 A N 2.195 124.996 122.820 -0.033 0.000 2.605 326 A HA 0.769 5.089 4.320 -0.000 0.000 0.294 326 A C -1.287 176.340 177.584 0.071 0.000 1.062 326 A CA -0.677 51.326 52.037 -0.057 0.000 0.682 326 A CB 1.784 20.695 19.000 -0.148 0.000 1.278 326 A HN 0.789 nan 8.150 nan 0.000 0.410 327 V N 0.201 120.141 119.914 0.044 0.000 3.048 327 V HA 0.909 5.029 4.120 -0.000 0.000 0.303 327 V C -0.473 175.687 176.094 0.110 0.000 1.214 327 V CA 0.793 63.169 62.300 0.127 0.000 0.984 327 V CB 2.199 34.067 31.823 0.074 0.000 1.054 327 V HN 1.849 nan 8.190 nan 0.000 0.430 328 T N 4.086 118.736 114.554 0.160 0.000 2.653 328 T HA 0.674 5.024 4.350 -0.000 0.000 0.306 328 T C -1.977 172.783 174.700 0.100 0.000 1.426 328 T CA 0.022 62.206 62.100 0.139 0.000 1.008 328 T CB 1.799 70.822 68.868 0.259 0.000 1.692 328 T HN 1.177 nan 8.240 nan 0.000 0.483 329 K N 0.308 120.762 120.400 0.091 0.000 2.625 329 K HA 0.626 4.946 4.320 -0.000 0.000 0.284 329 K C -2.165 174.506 176.600 0.119 0.000 0.984 329 K CA -1.032 55.300 56.287 0.075 0.000 0.865 329 K CB 1.268 33.786 32.500 0.030 0.000 1.468 329 K HN 0.484 nan 8.250 nan 0.000 0.407 330 F N 4.458 124.382 119.950 -0.043 0.000 2.496 330 F HA 0.413 4.939 4.527 -0.000 0.000 0.341 330 F C 0.653 176.404 175.800 -0.081 0.000 1.134 330 F CA -0.369 57.594 58.000 -0.061 0.000 0.968 330 F CB 0.945 39.906 39.000 -0.064 0.000 1.205 330 F HN 0.892 nan 8.300 nan 0.000 0.436 331 M N 1.928 121.124 119.600 -0.673 0.000 7.319 331 M HA -0.379 4.101 4.480 -0.000 0.000 0.297 331 M C 0.852 177.008 176.300 -0.241 0.000 0.480 331 M CA 2.320 57.300 55.300 -0.535 0.000 1.311 331 M CB -1.080 31.081 32.600 -0.732 0.000 0.421 331 M HN 0.702 nan 8.290 nan 0.000 0.598 332 D N 1.054 121.358 120.400 -0.161 0.000 2.369 332 D HA 0.205 4.845 4.640 -0.000 0.000 0.211 332 D C 0.416 176.717 176.300 0.001 0.000 1.077 332 D CA 0.617 54.579 54.000 -0.063 0.000 0.842 332 D CB -0.190 40.586 40.800 -0.040 0.000 0.947 332 D HN 0.390 nan 8.370 nan 0.000 0.509 333 V N 0.579 120.508 119.914 0.026 0.000 2.385 333 V HA 0.344 4.463 4.120 -0.000 0.000 0.269 333 V C -0.387 175.743 176.094 0.060 0.000 1.043 333 V CA -0.656 61.687 62.300 0.072 0.000 0.906 333 V CB 0.582 32.461 31.823 0.093 0.000 0.995 333 V HN -0.012 nan 8.190 nan 0.000 0.467 334 E N 5.994 126.231 120.200 0.062 0.000 2.283 334 E HA 0.629 4.979 4.350 -0.000 0.000 0.271 334 E C -0.557 176.067 176.600 0.040 0.000 1.031 334 E CA -0.530 55.901 56.400 0.052 0.000 0.868 334 E CB 2.634 32.368 29.700 0.057 0.000 1.094 334 E HN 0.803 nan 8.360 nan 0.000 0.401 335 I N 0.672 121.253 120.570 0.017 0.000 2.607 335 I HA 0.610 4.780 4.170 -0.000 0.000 0.290 335 I C -0.988 175.180 176.117 0.085 0.000 1.129 335 I CA -0.251 61.012 61.300 -0.061 0.000 1.042 335 I CB 1.664 39.465 38.000 -0.332 0.000 1.242 335 I HN 0.644 nan 8.210 nan 0.000 0.421 336 G N 6.069 114.997 108.800 0.215 0.000 2.692 336 G HA2 0.632 4.592 3.960 -0.000 0.000 0.291 336 G HA3 0.632 4.592 3.960 -0.000 0.000 0.291 336 G C -2.087 173.111 174.900 0.496 0.000 1.423 336 G CA -0.734 44.605 45.100 0.398 0.000 0.843 336 G HN 0.724 nan 8.290 nan 0.000 0.486 337 K N -1.547 119.054 120.400 0.335 0.000 2.469 337 K HA 0.884 5.204 4.320 -0.000 0.000 0.268 337 K C -1.428 175.206 176.600 0.057 0.000 1.027 337 K CA -1.016 55.361 56.287 0.150 0.000 0.893 337 K CB 2.441 34.882 32.500 -0.098 0.000 1.460 337 K HN 0.774 nan 8.250 nan 0.000 0.449 338 T N -0.722 113.849 114.554 0.027 0.000 3.709 338 T HA 0.507 4.857 4.350 -0.000 0.000 0.378 338 T C -0.395 174.315 174.700 0.017 0.000 1.352 338 T CA 0.596 62.702 62.100 0.010 0.000 1.144 338 T CB 0.484 69.355 68.868 0.006 0.000 1.289 338 T HN 1.554 nan 8.240 nan 0.000 0.476 339 G N 2.977 111.800 108.800 0.038 0.000 2.660 339 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 339 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 339 G C -0.872 174.066 174.900 0.064 0.000 1.345 339 G CA -0.484 44.664 45.100 0.080 0.000 0.877 339 G HN 1.034 nan 8.290 nan 0.000 0.549 340 L N 0.425 121.660 121.223 0.019 0.000 2.426 340 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 340 L C 1.480 178.319 176.870 -0.053 0.000 1.169 340 L CA -0.103 54.705 54.840 -0.053 0.000 0.836 340 L CB 1.047 43.042 42.059 -0.106 0.000 1.112 340 L HN 0.769 nan 8.230 nan 0.000 0.465 341 T N 0.125 114.642 114.554 -0.061 0.000 2.847 341 T HA 0.031 4.381 4.350 -0.000 0.000 0.279 341 T C 1.046 175.723 174.700 -0.039 0.000 0.984 341 T CA -0.358 61.712 62.100 -0.049 0.000 0.988 341 T CB 1.210 70.038 68.868 -0.067 0.000 1.040 341 T HN 0.774 nan 8.240 nan 0.000 0.528 342 E N 1.256 121.439 120.200 -0.028 0.000 2.150 342 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 342 E C 1.967 178.559 176.600 -0.013 0.000 0.985 342 E CA 1.140 57.527 56.400 -0.022 0.000 0.814 342 E CB -0.025 29.661 29.700 -0.022 0.000 0.752 342 E HN 0.660 nan 8.360 nan 0.000 0.466 343 M N 0.090 119.679 119.600 -0.019 0.000 2.077 343 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 343 M C 2.120 178.417 176.300 -0.006 0.000 1.070 343 M CA 1.625 56.917 55.300 -0.013 0.000 1.125 343 M CB -0.298 32.291 32.600 -0.020 0.000 1.339 343 M HN 0.006 nan 8.290 nan 0.000 0.409 344 E N 0.782 120.971 120.200 -0.019 0.000 2.058 344 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 344 E C 2.163 178.779 176.600 0.027 0.000 0.997 344 E CA 1.441 57.830 56.400 -0.018 0.000 0.801 344 E CB -0.272 29.392 29.700 -0.061 0.000 0.746 344 E HN 0.514 nan 8.360 nan 0.000 0.450 345 A N 0.978 123.811 122.820 0.022 0.000 1.908 345 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 345 A C 2.194 179.888 177.584 0.182 0.000 1.181 345 A CA 1.231 53.322 52.037 0.091 0.000 0.627 345 A CB -0.655 18.317 19.000 -0.047 0.000 0.818 345 A HN 0.143 nan 8.150 nan 0.000 0.445 346 L N -1.275 120.000 121.223 0.088 0.000 2.056 346 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 346 L C 2.559 179.464 176.870 0.058 0.000 1.078 346 L CA 1.672 56.556 54.840 0.074 0.000 0.749 346 L CB -0.346 41.735 42.059 0.037 0.000 0.901 346 L HN 0.310 nan 8.230 nan 0.000 0.433 347 K N 0.279 120.705 120.400 0.043 0.000 2.152 347 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 347 K C 1.810 178.422 176.600 0.021 0.000 1.048 347 K CA 1.164 57.465 56.287 0.023 0.000 0.933 347 K CB 0.081 32.589 32.500 0.013 0.000 0.721 347 K HN 0.172 nan 8.250 nan 0.000 0.447 348 E N -1.010 119.222 120.200 0.052 0.000 2.502 348 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 348 E C 0.788 177.330 176.600 -0.097 0.000 1.062 348 E CA 0.754 57.157 56.400 0.006 0.000 0.867 348 E CB 0.458 30.219 29.700 0.101 0.000 0.888 348 E HN 0.514 nan 8.360 nan 0.000 0.510 349 G N 1.184 109.968 108.800 -0.027 0.000 2.143 349 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.249 349 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.249 349 G C -0.053 174.813 174.900 -0.057 0.000 0.981 349 G CA 0.075 45.140 45.100 -0.058 0.000 0.665 349 G HN 0.228 nan 8.290 nan 0.000 0.528 350 Y N 0.628 120.927 120.300 -0.003 0.000 2.379 350 Y HA 0.428 4.978 4.550 -0.000 0.000 0.337 350 Y C 0.826 176.727 175.900 0.002 0.000 1.238 350 Y CA 0.154 58.255 58.100 0.001 0.000 1.405 350 Y CB 0.732 39.194 38.460 0.002 0.000 1.310 350 Y HN 0.151 nan 8.280 nan 0.000 0.569 351 D N 2.371 122.883 120.400 0.186 0.000 2.443 351 D HA 0.352 4.992 4.640 -0.000 0.000 0.221 351 D C -1.180 175.180 176.300 0.100 0.000 1.097 351 D CA -0.343 53.719 54.000 0.103 0.000 0.865 351 D CB 0.233 41.076 40.800 0.071 0.000 1.034 351 D HN 0.335 nan 8.370 nan 0.000 0.511 352 V N 1.817 121.774 119.914 0.072 0.000 2.815 352 V HA 0.808 4.928 4.120 -0.000 0.000 0.314 352 V C -0.426 175.682 176.094 0.023 0.000 1.064 352 V CA -1.100 61.222 62.300 0.037 0.000 0.952 352 V CB 1.790 33.621 31.823 0.014 0.000 1.020 352 V HN 0.564 nan 8.190 nan 0.000 0.439 353 R N 1.367 121.875 120.500 0.013 0.000 2.803 353 R HA 0.928 5.268 4.340 -0.000 0.000 0.276 353 R C -0.418 175.890 176.300 0.012 0.000 0.978 353 R CA -0.081 56.027 56.100 0.013 0.000 0.939 353 R CB 2.007 32.313 30.300 0.010 0.000 1.179 353 R HN 0.964 nan 8.270 nan 0.000 0.472 354 T N -2.027 112.540 114.554 0.021 0.000 2.804 354 T HA 0.893 5.243 4.350 -0.000 0.000 0.290 354 T C -0.794 173.938 174.700 0.053 0.000 1.099 354 T CA -0.727 61.393 62.100 0.034 0.000 1.011 354 T CB 1.979 70.866 68.868 0.032 0.000 1.291 354 T HN 0.958 nan 8.240 nan 0.000 0.523 355 A N 0.419 123.291 122.820 0.088 0.000 2.594 355 A HA 0.700 5.020 4.320 -0.000 0.000 0.296 355 A C -2.063 175.660 177.584 0.231 0.000 1.061 355 A CA -0.772 51.337 52.037 0.120 0.000 0.689 355 A CB 1.437 20.480 19.000 0.072 0.000 1.280 355 A HN 1.122 nan 8.150 nan 0.000 0.406 356 F N 2.538 122.517 119.950 0.050 0.000 2.579 356 F HA 0.747 5.274 4.527 -0.000 0.000 0.325 356 F C -0.890 174.969 175.800 0.099 0.000 1.162 356 F CA -1.489 56.562 58.000 0.085 0.000 0.946 356 F CB 1.420 40.472 39.000 0.086 0.000 1.211 356 F HN 0.713 nan 8.300 nan 0.000 0.447 357 I N 2.741 123.197 120.570 -0.190 0.000 2.828 357 I HA 0.603 4.773 4.170 -0.000 0.000 0.302 357 I C -1.408 174.486 176.117 -0.372 0.000 1.101 357 I CA -0.908 60.239 61.300 -0.254 0.000 1.031 357 I CB 2.218 40.150 38.000 -0.114 0.000 1.231 357 I HN 0.568 nan 8.210 nan 0.000 0.427 358 K N 3.414 123.589 120.400 -0.375 0.000 2.123 358 K HA 0.911 5.231 4.320 -0.000 0.000 0.259 358 K C -0.978 175.376 176.600 -0.410 0.000 0.960 358 K CA -0.524 55.403 56.287 -0.601 0.000 0.872 358 K CB 1.760 33.939 32.500 -0.535 0.000 1.079 358 K HN 1.018 nan 8.250 nan 0.000 0.440 359 A N 1.200 123.745 122.820 -0.458 0.000 2.493 359 A HA 0.504 4.824 4.320 -0.000 0.000 0.300 359 A C -1.511 175.910 177.584 -0.271 0.000 1.152 359 A CA -0.666 51.210 52.037 -0.268 0.000 0.643 359 A CB 1.421 20.320 19.000 -0.169 0.000 1.316 359 A HN 0.561 nan 8.150 nan 0.000 0.469 360 S N -1.474 114.132 115.700 -0.157 0.000 2.568 360 S HA 0.551 5.021 4.470 -0.000 0.000 0.302 360 S C 0.781 175.332 174.600 -0.082 0.000 1.082 360 S CA 0.488 58.614 58.200 -0.123 0.000 1.009 360 S CB 1.728 64.888 63.200 -0.066 0.000 1.069 360 S HN 0.944 nan 8.310 nan 0.000 0.500 361 T N 1.811 116.324 114.554 -0.069 0.000 3.055 361 T HA 0.253 4.603 4.350 -0.000 0.000 0.265 361 T C 0.378 175.050 174.700 -0.047 0.000 1.111 361 T CA 1.125 63.198 62.100 -0.045 0.000 1.118 361 T CB -0.161 68.685 68.868 -0.037 0.000 0.909 361 T HN 0.464 nan 8.240 nan 0.000 0.501 362 R N 0.100 120.568 120.500 -0.053 0.000 2.817 362 R HA 0.523 4.863 4.340 -0.000 0.000 0.268 362 R C -2.927 173.319 176.300 -0.089 0.000 1.027 362 R CA -2.156 53.891 56.100 -0.087 0.000 0.928 362 R CB 0.888 31.144 30.300 -0.073 0.000 1.228 362 R HN -0.088 nan 8.270 nan 0.000 0.469 363 P HA 0.034 nan 4.420 nan 0.000 0.267 363 P C -0.672 176.550 177.300 -0.130 0.000 1.200 363 P CA 0.042 63.010 63.100 -0.220 0.000 0.772 363 P CB 0.304 31.699 31.700 -0.508 0.000 0.855 364 H N 2.221 121.284 119.070 -0.013 0.000 3.319 364 H HA 0.111 4.667 4.556 -0.000 0.000 0.213 364 H C -0.046 175.393 175.328 0.185 0.000 1.782 364 H CA -0.381 55.700 56.048 0.055 0.000 1.339 364 H CB -1.388 28.409 29.762 0.058 0.000 1.651 364 H HN 0.592 nan 8.280 nan 0.000 0.622 365 Y N -2.095 118.360 120.300 0.259 0.000 2.811 365 Y HA 0.206 4.756 4.550 -0.000 0.000 0.256 365 Y C -0.114 175.867 175.900 0.135 0.000 1.135 365 Y CA -1.193 57.006 58.100 0.164 0.000 1.178 365 Y CB -0.375 38.191 38.460 0.177 0.000 1.385 365 Y HN 0.067 nan 8.280 nan 0.000 0.498 366 Y N 7.405 127.540 120.300 -0.276 0.000 2.810 366 Y HA 0.250 4.800 4.550 -0.000 0.000 0.332 366 Y C -1.983 173.881 175.900 -0.060 0.000 1.243 366 Y CA -2.136 55.871 58.100 -0.156 0.000 1.537 366 Y CB 0.423 38.683 38.460 -0.334 0.000 1.265 366 Y HN 0.099 nan 8.280 nan 0.000 0.572 367 P HA 0.130 nan 4.420 nan 0.000 0.269 367 P C 0.439 177.752 177.300 0.022 0.000 1.209 367 P CA 0.984 64.028 63.100 -0.094 0.000 0.776 367 P CB 1.072 32.662 31.700 -0.184 0.000 0.876 368 G N 1.396 110.210 108.800 0.024 0.000 2.175 368 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.244 368 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.244 368 G C 0.540 175.463 174.900 0.038 0.000 0.982 368 G CA -0.176 44.946 45.100 0.036 0.000 0.641 368 G HN 0.899 nan 8.290 nan 0.000 0.527 369 G N 0.766 109.592 108.800 0.044 0.000 2.346 369 G HA2 0.478 4.438 3.960 -0.000 0.000 0.275 369 G HA3 0.478 4.438 3.960 -0.000 0.000 0.275 369 G C 0.594 175.491 174.900 -0.004 0.000 1.190 369 G CA -0.072 45.038 45.100 0.017 0.000 1.015 369 G HN 0.381 nan 8.290 nan 0.000 0.441 370 R N 1.772 122.261 120.500 -0.018 0.000 2.602 370 R HA 0.388 4.728 4.340 -0.000 0.000 0.237 370 R C 0.212 176.464 176.300 -0.080 0.000 1.219 370 R CA -0.567 55.519 56.100 -0.024 0.000 1.121 370 R CB 0.687 30.985 30.300 -0.003 0.000 1.408 370 R HN 0.639 nan 8.270 nan 0.000 0.559 371 E N 0.356 120.487 120.200 -0.116 0.000 2.214 371 E HA 0.509 4.859 4.350 -0.000 0.000 0.274 371 E C -0.502 175.891 176.600 -0.346 0.000 0.977 371 E CA -0.507 55.690 56.400 -0.339 0.000 0.827 371 E CB 2.015 31.398 29.700 -0.528 0.000 1.130 371 E HN 0.306 nan 8.360 nan 0.000 0.394 372 I N 1.621 121.888 120.570 -0.504 0.000 2.607 372 I HA 0.340 4.509 4.170 -0.000 0.000 0.290 372 I C -1.536 174.369 176.117 -0.353 0.000 1.129 372 I CA -0.642 60.516 61.300 -0.236 0.000 1.042 372 I CB 1.253 39.202 38.000 -0.084 0.000 1.242 372 I HN 0.539 nan 8.210 nan 0.000 0.421 373 W N 7.903 129.205 121.300 0.003 0.000 2.529 373 W HA 0.549 5.209 4.660 -0.000 0.000 0.321 373 W C -1.467 175.109 176.519 0.094 0.000 1.047 373 W CA -0.695 56.632 57.345 -0.031 0.000 1.216 373 W CB 1.967 31.452 29.460 0.041 0.000 1.357 373 W HN 0.177 nan 8.180 nan 0.000 0.489 374 L N 2.949 124.326 121.223 0.257 0.000 2.385 374 L HA 0.355 4.695 4.340 -0.000 0.000 0.273 374 L C -0.191 176.934 176.870 0.424 0.000 0.990 374 L CA -0.651 54.360 54.840 0.286 0.000 0.821 374 L CB 1.716 43.864 42.059 0.149 0.000 1.279 374 L HN 0.148 nan 8.230 nan 0.000 0.412 375 K N 1.472 122.109 120.400 0.395 0.000 2.206 375 K HA 0.831 5.151 4.320 -0.000 0.000 0.264 375 K C -0.418 176.289 176.600 0.178 0.000 0.967 375 K CA -0.295 56.184 56.287 0.321 0.000 0.844 375 K CB 1.762 34.357 32.500 0.158 0.000 1.099 375 K HN 0.662 nan 8.250 nan 0.000 0.441 376 G N 1.901 110.786 108.800 0.141 0.000 2.566 376 G HA2 0.590 4.550 3.960 -0.000 0.000 0.311 376 G HA3 0.590 4.550 3.960 -0.000 0.000 0.311 376 G C -1.524 173.407 174.900 0.050 0.000 1.322 376 G CA -0.615 44.537 45.100 0.086 0.000 0.969 376 G HN 0.435 nan 8.290 nan 0.000 0.490 377 V N 2.023 121.950 119.914 0.020 0.000 2.487 377 V HA 0.611 4.731 4.120 -0.000 0.000 0.298 377 V C -0.364 175.710 176.094 -0.035 0.000 1.028 377 V CA -0.635 61.657 62.300 -0.013 0.000 0.860 377 V CB 1.554 33.355 31.823 -0.037 0.000 0.991 377 V HN 0.581 nan 8.190 nan 0.000 0.427 378 V N 2.849 122.743 119.914 -0.034 0.000 2.735 378 V HA 0.438 4.558 4.120 -0.000 0.000 0.310 378 V C -0.521 175.546 176.094 -0.046 0.000 1.061 378 V CA -0.737 61.541 62.300 -0.037 0.000 0.913 378 V CB 2.354 34.174 31.823 -0.005 0.000 1.005 378 V HN 0.884 nan 8.190 nan 0.000 0.428 379 D N 3.089 123.456 120.400 -0.055 0.000 2.338 379 D HA 0.031 4.671 4.640 -0.000 0.000 0.255 379 D C 1.053 177.375 176.300 0.037 0.000 1.237 379 D CA 0.357 54.354 54.000 -0.004 0.000 0.883 379 D CB 0.634 41.449 40.800 0.025 0.000 1.087 379 D HN 0.639 nan 8.370 nan 0.000 0.485 380 N N 3.246 121.974 118.700 0.048 0.000 2.272 380 N HA -0.178 4.562 4.740 -0.000 0.000 0.185 380 N C 0.999 176.535 175.510 0.043 0.000 1.014 380 N CA 0.894 53.968 53.050 0.039 0.000 0.870 380 N CB 0.348 38.858 38.487 0.038 0.000 0.975 380 N HN 0.542 nan 8.380 nan 0.000 0.433 381 E N -1.019 119.218 120.200 0.062 0.000 2.158 381 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 381 E C 1.450 178.081 176.600 0.051 0.000 0.982 381 E CA 1.354 57.788 56.400 0.056 0.000 0.823 381 E CB 0.244 29.985 29.700 0.067 0.000 0.766 381 E HN 0.479 nan 8.360 nan 0.000 0.468 382 T N -3.270 111.320 114.554 0.060 0.000 3.010 382 T HA 0.152 4.502 4.350 -0.000 0.000 0.257 382 T C 0.509 175.235 174.700 0.042 0.000 1.020 382 T CA 0.107 62.239 62.100 0.053 0.000 0.938 382 T CB 0.193 69.102 68.868 0.069 0.000 1.049 382 T HN 0.007 nan 8.240 nan 0.000 0.522 383 N N 0.651 119.372 118.700 0.036 0.000 2.753 383 N HA -0.158 4.582 4.740 -0.000 0.000 0.251 383 N C -0.066 175.464 175.510 0.033 0.000 1.097 383 N CA 0.610 53.675 53.050 0.027 0.000 0.786 383 N CB -1.213 37.287 38.487 0.022 0.000 1.137 383 N HN 0.632 nan 8.380 nan 0.000 0.566 384 R N 0.508 121.029 120.500 0.036 0.000 2.357 384 R HA 0.364 4.704 4.340 -0.000 0.000 0.296 384 R C -0.325 175.985 176.300 0.018 0.000 1.052 384 R CA -0.672 55.454 56.100 0.043 0.000 0.988 384 R CB 0.402 30.732 30.300 0.050 0.000 1.025 384 R HN 0.136 nan 8.270 nan 0.000 0.469 385 L N 5.804 127.053 121.223 0.044 0.000 2.433 385 L HA 0.063 4.403 4.340 -0.000 0.000 0.275 385 L C 0.328 177.188 176.870 -0.017 0.000 1.128 385 L CA 0.728 55.585 54.840 0.027 0.000 0.875 385 L CB 0.726 42.828 42.059 0.072 0.000 1.171 385 L HN 0.811 nan 8.230 nan 0.000 0.463 386 L N 4.326 125.507 121.223 -0.070 0.000 2.463 386 L HA 0.423 4.763 4.340 -0.000 0.000 0.219 386 L C 0.891 177.719 176.870 -0.071 0.000 1.088 386 L CA 0.372 55.132 54.840 -0.133 0.000 0.849 386 L CB -0.114 41.768 42.059 -0.295 0.000 1.012 386 L HN 0.807 nan 8.230 nan 0.000 0.468 387 G N -0.673 108.107 108.800 -0.033 0.000 2.404 387 G HA2 0.444 4.404 3.960 -0.000 0.000 0.298 387 G HA3 0.444 4.404 3.960 -0.000 0.000 0.298 387 G C -1.980 172.933 174.900 0.022 0.000 1.577 387 G CA -0.459 44.639 45.100 -0.004 0.000 0.847 387 G HN -0.302 nan 8.290 nan 0.000 0.598 388 V N 0.815 120.754 119.914 0.043 0.000 2.760 388 V HA 0.633 4.753 4.120 -0.000 0.000 0.309 388 V C -0.329 175.829 176.094 0.106 0.000 1.077 388 V CA -0.703 61.643 62.300 0.076 0.000 0.910 388 V CB 1.908 33.776 31.823 0.076 0.000 1.008 388 V HN 0.820 nan 8.190 nan 0.000 0.424 389 Q N 2.329 122.218 119.800 0.149 0.000 2.337 389 Q HA 0.827 5.167 4.340 -0.000 0.000 0.266 389 Q C -1.540 174.599 176.000 0.232 0.000 1.023 389 Q CA -0.663 55.269 55.803 0.215 0.000 0.829 389 Q CB 2.884 31.763 28.738 0.236 0.000 1.306 389 Q HN 0.597 nan 8.270 nan 0.000 0.449 390 V N 2.054 122.109 119.914 0.234 0.000 2.686 390 V HA 0.621 4.741 4.120 -0.000 0.000 0.306 390 V C -1.029 175.182 176.094 0.195 0.000 1.065 390 V CA -0.805 61.627 62.300 0.220 0.000 0.894 390 V CB 1.845 33.769 31.823 0.169 0.000 1.004 390 V HN 0.545 nan 8.190 nan 0.000 0.424 391 V N 3.677 123.739 119.914 0.246 0.000 2.962 391 V HA 1.047 5.167 4.120 -0.000 0.000 0.313 391 V C 0.434 176.732 176.094 0.339 0.000 1.099 391 V CA 0.857 63.277 62.300 0.201 0.000 0.971 391 V CB 1.694 33.578 31.823 0.101 0.000 1.028 391 V HN 1.620 nan 8.190 nan 0.000 0.430 392 G N 3.701 112.659 108.800 0.263 0.000 2.436 392 G HA2 0.036 3.996 3.960 -0.000 0.000 0.205 392 G HA3 0.036 3.996 3.960 -0.000 0.000 0.205 392 G C -0.116 174.885 174.900 0.168 0.000 1.188 392 G CA 0.271 45.564 45.100 0.322 0.000 1.267 392 G HN 1.822 nan 8.290 nan 0.000 0.536 393 S N -0.082 115.689 115.700 0.119 0.000 2.542 393 S HA 0.557 5.027 4.470 -0.000 0.000 0.293 393 S C -0.243 174.382 174.600 0.042 0.000 1.089 393 S CA 1.121 59.358 58.200 0.063 0.000 0.961 393 S CB 1.483 64.708 63.200 0.041 0.000 1.062 393 S HN 1.512 nan 8.310 nan 0.000 0.483 394 D N 1.894 122.313 120.400 0.031 0.000 2.746 394 D HA -0.118 4.522 4.640 -0.000 0.000 0.241 394 D C 0.759 177.083 176.300 0.040 0.000 1.140 394 D CA 0.572 54.587 54.000 0.026 0.000 0.707 394 D CB -0.663 40.144 40.800 0.012 0.000 1.034 394 D HN 0.427 nan 8.370 nan 0.000 0.423 395 I N -0.284 120.317 120.570 0.052 0.000 2.400 395 I HA -0.096 4.074 4.170 -0.000 0.000 0.248 395 I C 2.473 178.623 176.117 0.055 0.000 1.109 395 I CA 0.409 61.749 61.300 0.066 0.000 1.425 395 I CB -0.818 37.231 38.000 0.082 0.000 1.094 395 I HN 0.312 nan 8.210 nan 0.000 0.425 396 L N 1.934 123.183 121.223 0.043 0.000 2.064 396 L HA -0.181 4.159 4.340 -0.000 0.000 0.216 396 L C -0.455 176.432 176.870 0.028 0.000 1.077 396 L CA 2.554 57.413 54.840 0.033 0.000 0.766 396 L CB -1.811 40.261 42.059 0.023 0.000 0.890 396 L HN 0.118 nan 8.230 nan 0.000 0.435 397 P HA -0.105 nan 4.420 nan 0.000 0.216 397 P C 1.476 178.793 177.300 0.028 0.000 1.153 397 P CA 1.263 64.380 63.100 0.027 0.000 0.844 397 P CB 0.058 31.779 31.700 0.035 0.000 0.787 398 R N -0.282 120.241 120.500 0.039 0.000 2.075 398 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 398 R C 2.255 178.581 176.300 0.043 0.000 1.126 398 R CA 1.290 57.417 56.100 0.046 0.000 0.963 398 R CB -1.734 28.604 30.300 0.062 0.000 0.858 398 R HN 0.317 nan 8.270 nan 0.000 0.435 399 I N -1.090 119.508 120.570 0.047 0.000 2.500 399 I HA -0.024 4.146 4.170 -0.000 0.000 0.252 399 I C 1.115 177.239 176.117 0.012 0.000 1.142 399 I CA 1.612 62.937 61.300 0.041 0.000 1.451 399 I CB -0.199 37.838 38.000 0.062 0.000 1.093 399 I HN -0.132 nan 8.210 nan 0.000 0.430 400 D N 1.070 121.473 120.400 0.005 0.000 2.117 400 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 400 D C 2.196 178.476 176.300 -0.034 0.000 0.982 400 D CA 1.936 55.926 54.000 -0.017 0.000 0.828 400 D CB -0.267 40.525 40.800 -0.014 0.000 0.967 400 D HN 0.417 nan 8.370 nan 0.000 0.464 401 T N 0.302 114.842 114.554 -0.023 0.000 2.737 401 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 401 T C 2.007 176.669 174.700 -0.063 0.000 1.038 401 T CA 1.478 63.555 62.100 -0.038 0.000 1.144 401 T CB -0.367 68.496 68.868 -0.009 0.000 0.866 401 T HN 0.168 nan 8.240 nan 0.000 0.434 402 A N 1.405 124.207 122.820 -0.030 0.000 1.978 402 A HA 0.131 4.451 4.320 -0.000 0.000 0.220 402 A C 2.584 180.127 177.584 -0.069 0.000 1.170 402 A CA 1.798 53.817 52.037 -0.031 0.000 0.636 402 A CB -0.961 18.046 19.000 0.012 0.000 0.810 402 A HN 0.518 nan 8.150 nan 0.000 0.448 403 A N -0.359 122.420 122.820 -0.067 0.000 1.929 403 A HA 0.265 4.585 4.320 -0.000 0.000 0.216 403 A C 2.444 179.948 177.584 -0.133 0.000 1.176 403 A CA 1.708 53.694 52.037 -0.084 0.000 0.628 403 A CB -0.807 18.154 19.000 -0.065 0.000 0.816 403 A HN 0.962 nan 8.150 nan 0.000 0.444 404 A N -0.338 122.386 122.820 -0.159 0.000 1.898 404 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 404 A C 2.235 179.586 177.584 -0.388 0.000 1.181 404 A CA 1.672 53.577 52.037 -0.221 0.000 0.620 404 A CB -0.532 18.350 19.000 -0.197 0.000 0.819 404 A HN 0.516 nan 8.150 nan 0.000 0.442 405 M N -1.190 118.127 119.600 -0.471 0.000 2.086 405 M HA -0.139 4.341 4.480 -0.000 0.000 0.261 405 M C 2.022 178.090 176.300 -0.387 0.000 1.067 405 M CA 1.247 56.073 55.300 -0.789 0.000 1.116 405 M CB -0.448 31.924 32.600 -0.380 0.000 1.348 405 M HN 0.334 nan 8.290 nan 0.000 0.407 406 L N -0.366 120.746 121.223 -0.186 0.000 2.046 406 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 406 L C 2.475 179.290 176.870 -0.092 0.000 1.077 406 L CA 1.763 56.552 54.840 -0.085 0.000 0.747 406 L CB -0.731 41.290 42.059 -0.063 0.000 0.896 406 L HN 0.279 nan 8.230 nan 0.000 0.432 407 M N -1.163 118.355 119.600 -0.137 0.000 2.279 407 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 407 M C 1.852 178.100 176.300 -0.087 0.000 1.062 407 M CA 1.581 56.808 55.300 -0.121 0.000 1.099 407 M CB -0.322 32.197 32.600 -0.136 0.000 1.394 407 M HN 0.205 nan 8.290 nan 0.000 0.426 408 A N -1.571 121.184 122.820 -0.108 0.000 2.267 408 A HA 0.529 4.849 4.320 -0.000 0.000 0.213 408 A C 1.443 179.125 177.584 0.162 0.000 1.192 408 A CA 0.411 52.455 52.037 0.012 0.000 0.851 408 A CB -0.720 18.268 19.000 -0.021 0.000 0.881 408 A HN 0.709 nan 8.150 nan 0.000 0.494 409 G N -0.772 108.105 108.800 0.128 0.000 2.225 409 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.264 409 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.264 409 G C -0.220 174.853 174.900 0.289 0.000 1.060 409 G CA -0.099 45.100 45.100 0.166 0.000 0.833 409 G HN 0.210 nan 8.290 nan 0.000 0.498 410 F N 1.668 121.632 119.950 0.022 0.000 2.518 410 F HA 0.469 4.996 4.527 -0.000 0.000 0.359 410 F C 1.706 177.528 175.800 0.037 0.000 1.118 410 F CA -0.043 57.978 58.000 0.035 0.000 1.287 410 F CB 0.762 39.785 39.000 0.038 0.000 1.132 410 F HN 0.327 nan 8.300 nan 0.000 0.587 411 T N -1.438 113.184 114.554 0.114 0.000 2.862 411 T HA 0.134 4.484 4.350 -0.000 0.000 0.276 411 T C 1.231 175.986 174.700 0.091 0.000 0.974 411 T CA -0.128 62.019 62.100 0.078 0.000 0.966 411 T CB 1.212 70.100 68.868 0.034 0.000 1.072 411 T HN 0.609 nan 8.240 nan 0.000 0.538 412 T N -0.913 113.679 114.554 0.064 0.000 2.833 412 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 412 T C 1.762 176.497 174.700 0.060 0.000 1.054 412 T CA 1.652 63.786 62.100 0.056 0.000 1.135 412 T CB -0.574 68.301 68.868 0.013 0.000 0.869 412 T HN 0.678 nan 8.240 nan 0.000 0.466 413 K N 0.078 120.508 120.400 0.051 0.000 2.062 413 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 413 K C 1.916 178.612 176.600 0.160 0.000 1.051 413 K CA 1.604 57.947 56.287 0.093 0.000 0.941 413 K CB -0.169 32.403 32.500 0.120 0.000 0.719 413 K HN 0.351 nan 8.250 nan 0.000 0.440 414 D N 0.635 121.061 120.400 0.043 0.000 2.104 414 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 414 D C 1.778 178.086 176.300 0.013 0.000 0.994 414 D CA 1.460 55.375 54.000 -0.141 0.000 0.830 414 D CB -0.145 40.260 40.800 -0.659 0.000 0.959 414 D HN 0.337 nan 8.370 nan 0.000 0.452 415 A N 0.620 123.549 122.820 0.182 0.000 1.902 415 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 415 A C 2.081 179.782 177.584 0.195 0.000 1.181 415 A CA 0.926 53.134 52.037 0.285 0.000 0.623 415 A CB -0.958 18.199 19.000 0.263 0.000 0.818 415 A HN 0.216 nan 8.150 nan 0.000 0.443 416 F N -0.347 119.584 119.950 -0.031 0.000 2.126 416 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 416 F C 1.312 177.001 175.800 -0.185 0.000 1.096 416 F CA 1.370 59.271 58.000 -0.166 0.000 1.255 416 F CB -0.275 38.490 39.000 -0.392 0.000 0.997 416 F HN 0.194 nan 8.300 nan 0.000 0.479 417 F N 0.245 120.220 119.950 0.042 0.000 2.692 417 F HA 0.172 4.699 4.527 -0.000 0.000 0.303 417 F C 0.903 176.669 175.800 -0.056 0.000 1.114 417 F CA -0.051 57.905 58.000 -0.073 0.000 1.361 417 F CB -1.250 37.758 39.000 0.014 0.000 1.063 417 F HN -0.347 nan 8.300 nan 0.000 0.550 418 T N 0.372 115.002 114.554 0.127 0.000 2.851 418 T HA -0.040 4.310 4.350 -0.000 0.000 0.298 418 T C 0.126 174.855 174.700 0.048 0.000 0.977 418 T CA -0.272 61.906 62.100 0.131 0.000 1.126 418 T CB 0.535 69.527 68.868 0.208 0.000 0.916 418 T HN -0.034 nan 8.240 nan 0.000 0.529 419 D N 4.223 124.644 120.400 0.036 0.000 2.545 419 D HA 0.130 4.770 4.640 -0.000 0.000 0.227 419 D C 0.019 176.308 176.300 -0.018 0.000 1.150 419 D CA -0.078 53.916 54.000 -0.009 0.000 1.046 419 D CB -0.501 40.293 40.800 -0.010 0.000 1.098 419 D HN 0.392 nan 8.370 nan 0.000 0.502 420 L N 1.328 122.534 121.223 -0.028 0.000 2.439 420 L HA 0.502 4.842 4.340 -0.000 0.000 0.261 420 L C 1.037 177.885 176.870 -0.037 0.000 1.153 420 L CA -1.220 53.605 54.840 -0.025 0.000 0.808 420 L CB 0.873 42.926 42.059 -0.009 0.000 1.126 420 L HN 0.216 nan 8.230 nan 0.000 0.460 421 A N 1.354 124.146 122.820 -0.046 0.000 2.407 421 A HA 0.370 4.690 4.320 -0.000 0.000 0.248 421 A C -1.059 176.523 177.584 -0.003 0.000 1.082 421 A CA 0.155 52.148 52.037 -0.072 0.000 0.785 421 A CB 0.227 19.130 19.000 -0.161 0.000 1.020 421 A HN 0.589 nan 8.150 nan 0.000 0.489 422 Y N 0.230 120.441 120.300 -0.148 0.000 2.479 422 Y HA 0.580 5.130 4.550 -0.000 0.000 0.338 422 Y C -0.571 175.273 175.900 -0.095 0.000 1.055 422 Y CA -0.307 57.725 58.100 -0.113 0.000 1.023 422 Y CB 1.523 39.907 38.460 -0.125 0.000 1.287 422 Y HN 1.410 nan 8.280 nan 0.000 0.447 423 A N 6.173 128.341 122.820 -1.085 0.000 2.580 423 A HA 0.499 4.819 4.320 -0.000 0.000 0.301 423 A C -2.866 174.351 177.584 -0.611 0.000 1.054 423 A CA -1.230 50.293 52.037 -0.857 0.000 0.751 423 A CB 0.915 19.786 19.000 -0.215 0.000 1.275 423 A HN 0.451 nan 8.150 nan 0.000 0.403 424 P HA -0.111 nan 4.420 nan 0.000 0.216 424 P C -1.586 175.089 177.300 -1.043 0.000 1.154 424 P CA 1.981 64.756 63.100 -0.542 0.000 0.865 424 P CB -0.436 31.116 31.700 -0.246 0.000 0.789 425 P HA -0.018 nan 4.420 nan 0.000 0.236 425 P C 0.745 177.604 177.300 -0.733 0.000 1.177 425 P CA 1.040 63.561 63.100 -0.965 0.000 0.773 425 P CB -0.283 31.077 31.700 -0.567 0.000 0.878 426 F N -0.817 118.912 119.950 -0.368 0.000 2.453 426 F HA 0.486 5.013 4.527 -0.000 0.000 0.284 426 F C 1.264 176.965 175.800 -0.166 0.000 1.065 426 F CA 0.367 58.234 58.000 -0.221 0.000 1.411 426 F CB -0.010 38.877 39.000 -0.189 0.000 1.131 426 F HN -0.198 nan 8.300 nan 0.000 0.582 427 A N -0.861 121.977 122.820 0.030 0.000 2.515 427 A HA 0.535 4.855 4.320 -0.000 0.000 0.292 427 A C -2.870 174.802 177.584 0.146 0.000 1.065 427 A CA -1.116 50.954 52.037 0.055 0.000 0.641 427 A CB 0.204 19.261 19.000 0.095 0.000 1.306 427 A HN -0.188 nan 8.150 nan 0.000 0.441 428 P HA 0.358 nan 4.420 nan 0.000 0.279 428 P C 0.936 178.236 177.300 0.001 0.000 1.252 428 P CA -0.162 62.995 63.100 0.094 0.000 0.811 428 P CB 0.981 32.692 31.700 0.018 0.000 1.035 429 V N -0.661 119.016 119.914 -0.394 0.000 2.317 429 V HA -0.186 3.934 4.120 -0.000 0.000 0.251 429 V C 0.787 176.575 176.094 -0.509 0.000 1.065 429 V CA 1.554 63.339 62.300 -0.858 0.000 1.049 429 V CB -1.228 30.058 31.823 -0.894 0.000 0.651 429 V HN 0.576 nan 8.190 nan 0.000 0.450 430 W N 0.680 121.863 121.300 -0.196 0.000 2.311 430 W HA 0.464 5.124 4.660 -0.000 0.000 0.317 430 W C 0.071 176.540 176.519 -0.083 0.000 1.065 430 W CA -0.804 56.463 57.345 -0.130 0.000 1.364 430 W CB 0.199 29.601 29.460 -0.096 0.000 1.233 430 W HN 0.032 nan 8.180 nan 0.000 0.409 431 D N 3.633 124.101 120.400 0.115 0.000 2.472 431 D HA -0.016 4.624 4.640 -0.000 0.000 0.237 431 D C -1.215 175.142 176.300 0.096 0.000 1.141 431 D CA -0.735 53.316 54.000 0.085 0.000 0.875 431 D CB 1.370 42.204 40.800 0.056 0.000 1.192 431 D HN 0.085 nan 8.370 nan 0.000 0.450 432 P HA -0.154 nan 4.420 nan 0.000 0.220 432 P C 1.045 178.378 177.300 0.055 0.000 1.144 432 P CA 0.510 63.632 63.100 0.036 0.000 0.800 432 P CB 0.146 31.851 31.700 0.009 0.000 0.772 433 L N -1.469 119.795 121.223 0.069 0.000 2.131 433 L HA -0.039 4.301 4.340 -0.000 0.000 0.206 433 L C 1.923 178.856 176.870 0.105 0.000 1.087 433 L CA 1.649 56.537 54.840 0.080 0.000 0.767 433 L CB -1.057 41.044 42.059 0.071 0.000 0.917 433 L HN -0.160 nan 8.230 nan 0.000 0.441 434 I N -1.455 119.189 120.570 0.124 0.000 2.315 434 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 434 I C 2.350 178.598 176.117 0.218 0.000 1.117 434 I CA 0.909 62.320 61.300 0.184 0.000 1.404 434 I CB -0.582 37.526 38.000 0.180 0.000 1.071 434 I HN 0.003 nan 8.210 nan 0.000 0.419 435 V N 0.219 120.215 119.914 0.138 0.000 2.261 435 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 435 V C 2.443 178.548 176.094 0.019 0.000 1.047 435 V CA 1.850 64.171 62.300 0.034 0.000 1.015 435 V CB -0.797 31.016 31.823 -0.016 0.000 0.642 435 V HN 0.390 nan 8.190 nan 0.000 0.446 436 L N 0.987 122.234 121.223 0.040 0.000 2.013 436 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 436 L C 2.440 179.335 176.870 0.042 0.000 1.073 436 L CA 2.531 57.395 54.840 0.041 0.000 0.753 436 L CB -0.962 41.137 42.059 0.068 0.000 0.890 436 L HN 0.237 nan 8.230 nan 0.000 0.432 437 A N -0.298 122.571 122.820 0.082 0.000 1.883 437 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 437 A C 2.452 180.034 177.584 -0.002 0.000 1.186 437 A CA 1.962 54.051 52.037 0.088 0.000 0.624 437 A CB -0.687 18.422 19.000 0.181 0.000 0.822 437 A HN 0.561 nan 8.150 nan 0.000 0.444 438 R N -0.201 120.296 120.500 -0.006 0.000 2.080 438 R HA -0.110 4.230 4.340 -0.000 0.000 0.236 438 R C 1.782 177.951 176.300 -0.218 0.000 1.137 438 R CA 2.192 58.126 56.100 -0.277 0.000 0.943 438 R CB -0.979 29.181 30.300 -0.232 0.000 0.846 438 R HN 0.213 nan 8.270 nan 0.000 0.431 439 V N 0.856 120.694 119.914 -0.128 0.000 2.392 439 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 439 V C 2.209 178.260 176.094 -0.072 0.000 1.059 439 V CA 1.372 63.614 62.300 -0.097 0.000 1.051 439 V CB -0.548 31.240 31.823 -0.059 0.000 0.658 439 V HN 0.286 nan 8.190 nan 0.000 0.455 440 L N -0.131 121.060 121.223 -0.053 0.000 2.072 440 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 440 L C 2.353 179.187 176.870 -0.060 0.000 1.079 440 L CA 1.840 56.659 54.840 -0.034 0.000 0.752 440 L CB -1.337 40.719 42.059 -0.006 0.000 0.906 440 L HN 0.375 nan 8.230 nan 0.000 0.436 441 K N 0.444 120.782 120.400 -0.104 0.000 2.009 441 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 441 K C 1.696 178.220 176.600 -0.127 0.000 1.049 441 K CA 1.823 58.031 56.287 -0.132 0.000 0.929 441 K CB -0.029 32.324 32.500 -0.245 0.000 0.714 441 K HN 0.377 nan 8.250 nan 0.000 0.440 442 E N 0.140 120.246 120.200 -0.155 0.000 2.409 442 E HA -0.048 4.302 4.350 -0.000 0.000 0.198 442 E C 0.963 177.516 176.600 -0.079 0.000 1.024 442 E CA 0.400 56.724 56.400 -0.126 0.000 0.861 442 E CB 0.033 29.645 29.700 -0.148 0.000 0.788 442 E HN 0.396 nan 8.360 nan 0.000 0.521 443 G N 0.000 108.762 108.800 -0.064 0.000 5.446 443 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 443 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 443 G CA 0.000 45.077 45.100 -0.039 0.000 0.502 443 G HN 0.000 nan 8.290 nan 0.000 0.925