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 2jla_1_D DATA FIRST_RESID 2 DATA SEQUENCE SVSAFNRRWA AVILEALTRH GVRHICIAPG SRSTPLTLAA AENSAFIHHT DATA SEQUENCE HFDERGLGHL ALGLAKVSKQ PVAVIVTSGT AVANLYPALI EAGLTGEKLI DATA SEQUENCE LLTADRPPEL IDCGANQAIR QPGXFASHPT HSISLPRPTQ DIPARWLVST DATA SEQUENCE IDHALGTLHA GGVHINCPFA EPLYGEXDDT GLSWQQRLGD WWQDDKPWLR DATA SEQUENCE EAPRLESEKQ RDWFFWRQKR GVVVAGRXSA EEGKKVALWA QTLGWPLIGD DATA SEQUENCE VLSQTGQPLP CADLWLGNAK ATSELQQAQI VVQLGSSLTG KRLLQWQASC DATA SEQUENCE EPEEYWIVDD IEGRLDPAHH RGRRLIANIA DWLELHPAEK RQPWCVEIPR DATA SEQUENCE LAEQAXQAVI ARRDAFGEAQ LAHRICDYLP EQGQLFVGNS LVVRLIDALS DATA SEQUENCE QLPAGYPVYS NRGASGIDGL LSTAAGVQRA SGKPTLAIVG DLSALYDLNA DATA SEQUENCE LALLRQVSAP LVLIVVNNNG GQIFSLLPTP QSERERFYLX PQNVHFEHAA DATA SEQUENCE AXFELKYHRP QNWQELETAF ADAWRTPTTT VIEXVVNDTD GAQTLQQLLA DATA SEQUENCE QVSHL 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 0.000 174.625 174.600 0.041 0.000 1.055 2 S CA 0.000 58.213 58.200 0.022 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 V N 4.502 124.429 119.914 0.022 0.000 2.379 3 V HA -0.059 4.049 4.120 -0.020 0.000 0.245 3 V C 2.809 178.931 176.094 0.047 0.000 1.044 3 V CA 2.386 64.708 62.300 0.036 0.000 1.036 3 V CB -0.712 31.110 31.823 -0.001 0.000 0.664 3 V HN 0.973 nan 8.190 nan 0.000 0.453 4 S N 0.943 116.651 115.700 0.013 0.000 2.359 4 S HA -0.233 4.225 4.470 -0.020 0.000 0.224 4 S C 2.098 176.697 174.600 -0.001 0.000 1.035 4 S CA 1.958 60.144 58.200 -0.023 0.000 1.018 4 S CB -0.385 62.805 63.200 -0.017 0.000 0.876 4 S HN 0.584 nan 8.310 nan 0.000 0.448 5 A N 0.290 123.138 122.820 0.046 0.000 1.898 5 A HA 0.101 4.409 4.320 -0.020 0.000 0.216 5 A C 2.027 179.679 177.584 0.114 0.000 1.181 5 A CA 1.412 53.492 52.037 0.071 0.000 0.620 5 A CB -1.082 17.969 19.000 0.086 0.000 0.819 5 A HN 0.656 nan 8.150 nan 0.000 0.442 6 F N 1.499 121.447 119.950 -0.004 0.000 2.146 6 F HA -0.143 4.378 4.527 -0.010 0.000 0.298 6 F C 2.048 177.889 175.800 0.067 0.000 1.096 6 F CA 1.624 59.621 58.000 -0.005 0.000 1.275 6 F CB -0.303 38.638 39.000 -0.099 0.000 1.008 6 F HN 0.202 nan 8.300 nan 0.000 0.480 7 N N 0.763 119.493 118.700 0.050 0.000 2.069 7 N HA -0.234 4.494 4.740 -0.020 0.000 0.196 7 N C 1.938 177.440 175.510 -0.013 0.000 1.024 7 N CA 1.800 54.879 53.050 0.047 0.000 0.869 7 N CB -0.515 37.934 38.487 -0.063 0.000 1.035 7 N HN 0.393 nan 8.380 nan 0.000 0.434 8 R N 0.500 120.965 120.500 -0.059 0.000 2.115 8 R HA 0.102 4.430 4.340 -0.020 0.000 0.226 8 R C 2.132 178.461 176.300 0.048 0.000 1.100 8 R CA 0.584 56.666 56.100 -0.029 0.000 0.980 8 R CB -0.028 30.253 30.300 -0.031 0.000 0.875 8 R HN 0.274 nan 8.270 nan 0.000 0.445 9 R N 0.094 120.603 120.500 0.016 0.000 2.090 9 R HA -0.128 4.200 4.340 -0.020 0.000 0.228 9 R C 1.985 178.389 176.300 0.174 0.000 1.110 9 R CA 0.822 56.978 56.100 0.094 0.000 0.973 9 R CB -0.413 29.939 30.300 0.086 0.000 0.869 9 R HN 0.441 nan 8.270 nan 0.000 0.440 10 W N 1.852 122.978 121.300 -0.291 0.000 2.332 10 W HA -0.222 4.426 4.660 -0.019 0.000 0.321 10 W C 2.060 178.677 176.519 0.162 0.000 1.219 10 W CA 2.065 59.339 57.345 -0.118 0.000 1.277 10 W CB -0.338 28.969 29.460 -0.255 0.000 1.161 10 W HN 0.107 nan 8.180 nan 0.000 0.476 11 A N 0.922 124.011 122.820 0.449 0.000 1.917 11 A HA -0.171 4.138 4.320 -0.020 0.000 0.219 11 A C 2.170 179.906 177.584 0.252 0.000 1.182 11 A CA 3.083 55.333 52.037 0.355 0.000 0.633 11 A CB -1.398 17.737 19.000 0.225 0.000 0.819 11 A HN 0.374 nan 8.150 nan 0.000 0.448 12 A N -0.630 122.342 122.820 0.253 0.000 1.908 12 A HA -0.061 4.247 4.320 -0.020 0.000 0.218 12 A C 2.253 180.066 177.584 0.382 0.000 1.181 12 A CA 1.972 54.197 52.037 0.313 0.000 0.627 12 A CB -1.025 18.162 19.000 0.311 0.000 0.818 12 A HN 0.449 nan 8.150 nan 0.000 0.445 13 V N 0.118 120.232 119.914 0.333 0.000 2.295 13 V HA -0.288 3.820 4.120 -0.020 0.000 0.246 13 V C 2.425 178.556 176.094 0.061 0.000 1.049 13 V CA 2.087 64.478 62.300 0.151 0.000 1.024 13 V CB -0.751 31.053 31.823 -0.033 0.000 0.648 13 V HN 0.583 nan 8.190 nan 0.000 0.447 14 I N -0.516 120.083 120.570 0.049 0.000 2.118 14 I HA -0.308 3.850 4.170 -0.020 0.000 0.241 14 I C 2.309 178.518 176.117 0.153 0.000 1.070 14 I CA 1.825 63.159 61.300 0.057 0.000 1.327 14 I CB -0.376 37.679 38.000 0.092 0.000 1.034 14 I HN 0.236 nan 8.210 nan 0.000 0.405 15 L N -0.124 121.235 121.223 0.227 0.000 2.044 15 L HA -0.174 4.154 4.340 -0.020 0.000 0.205 15 L C 2.601 179.686 176.870 0.357 0.000 1.075 15 L CA 1.143 56.176 54.840 0.322 0.000 0.747 15 L CB -0.498 41.783 42.059 0.370 0.000 0.903 15 L HN 0.151 nan 8.230 nan 0.000 0.435 16 E N 0.565 120.943 120.200 0.297 0.000 2.097 16 E HA -0.250 4.088 4.350 -0.020 0.000 0.196 16 E C 2.128 178.836 176.600 0.179 0.000 1.000 16 E CA 1.617 58.128 56.400 0.185 0.000 0.804 16 E CB -0.215 29.593 29.700 0.180 0.000 0.740 16 E HN 0.376 nan 8.360 nan 0.000 0.454 17 A N 0.547 123.550 122.820 0.305 0.000 1.892 17 A HA -0.207 4.101 4.320 -0.020 0.000 0.218 17 A C 2.357 180.126 177.584 0.308 0.000 1.188 17 A CA 1.824 54.066 52.037 0.341 0.000 0.631 17 A CB -0.976 18.122 19.000 0.164 0.000 0.822 17 A HN 0.367 nan 8.150 nan 0.000 0.447 18 L N -0.817 120.572 121.223 0.278 0.000 2.187 18 L HA -0.165 4.163 4.340 -0.020 0.000 0.213 18 L C 2.667 179.699 176.870 0.270 0.000 1.100 18 L CA 1.479 56.500 54.840 0.301 0.000 0.765 18 L CB -0.885 41.333 42.059 0.265 0.000 0.904 18 L HN 0.354 nan 8.230 nan 0.000 0.437 19 T N -0.471 114.187 114.554 0.174 0.000 2.737 19 T HA -0.145 4.193 4.350 -0.020 0.000 0.269 19 T C 1.714 176.379 174.700 -0.058 0.000 1.040 19 T CA 1.138 63.235 62.100 -0.005 0.000 1.142 19 T CB -0.103 68.679 68.868 -0.142 0.000 0.861 19 T HN 0.247 nan 8.240 nan 0.000 0.456 20 R N 0.788 121.232 120.500 -0.093 0.000 2.320 20 R HA 0.117 4.445 4.340 -0.020 0.000 0.211 20 R C 0.500 176.529 176.300 -0.451 0.000 0.931 20 R CA 0.392 56.333 56.100 -0.265 0.000 1.071 20 R CB -0.255 29.880 30.300 -0.276 0.000 1.025 20 R HN 0.583 nan 8.270 nan 0.000 0.495 21 H N -0.941 118.147 119.070 0.029 0.000 2.767 21 H HA 0.205 4.749 4.556 -0.020 0.000 0.260 21 H C 0.701 176.046 175.328 0.029 0.000 1.172 21 H CA 0.339 56.405 56.048 0.030 0.000 1.048 21 H CB 1.140 30.926 29.762 0.041 0.000 1.697 21 H HN 0.332 nan 8.280 nan 0.000 0.606 22 G N 1.532 110.383 108.800 0.085 0.000 2.147 22 G HA2 -0.286 3.662 3.960 -0.020 0.000 0.244 22 G HA3 -0.286 3.662 3.960 -0.020 0.000 0.244 22 G C 0.229 175.189 174.900 0.099 0.000 1.005 22 G CA 0.288 45.425 45.100 0.061 0.000 0.713 22 G HN 0.208 nan 8.290 nan 0.000 0.515 23 V N 0.497 120.502 119.914 0.152 0.000 2.415 23 V HA 0.345 4.453 4.120 -0.020 0.000 0.267 23 V C 1.523 177.763 176.094 0.243 0.000 1.042 23 V CA 1.151 63.575 62.300 0.206 0.000 1.000 23 V CB 1.111 33.090 31.823 0.261 0.000 1.015 23 V HN 0.512 nan 8.190 nan 0.000 0.478 24 R N 2.598 123.198 120.500 0.167 0.000 2.257 24 R HA 0.174 4.502 4.340 -0.020 0.000 0.195 24 R C 0.448 176.773 176.300 0.041 0.000 0.921 24 R CA -0.101 56.042 56.100 0.071 0.000 1.069 24 R CB 0.439 30.671 30.300 -0.113 0.000 1.115 24 R HN 0.739 nan 8.270 nan 0.000 0.571 25 H N 1.058 120.222 119.070 0.157 0.000 2.489 25 H HA 0.299 4.843 4.556 -0.020 0.000 0.322 25 H C -0.347 175.004 175.328 0.039 0.000 1.091 25 H CA -0.265 55.864 56.048 0.134 0.000 1.291 25 H CB 1.397 31.243 29.762 0.139 0.000 1.436 25 H HN 0.116 nan 8.280 nan 0.000 0.480 26 I N 0.599 121.221 120.570 0.086 0.000 2.608 26 I HA 0.368 4.526 4.170 -0.020 0.000 0.295 26 I C -0.488 175.696 176.117 0.112 0.000 1.049 26 I CA -0.787 60.488 61.300 -0.042 0.000 1.063 26 I CB 1.899 39.704 38.000 -0.326 0.000 1.248 26 I HN 0.321 nan 8.210 nan 0.000 0.424 27 C N 5.694 125.041 119.300 0.080 0.000 2.351 27 C HA 0.698 5.146 4.460 -0.020 0.000 0.326 27 C C 0.028 175.068 174.990 0.084 0.000 1.272 27 C CA -0.506 58.578 59.018 0.111 0.000 1.650 27 C CB 0.396 28.171 27.740 0.058 0.000 2.257 27 C HN 0.577 nan 8.230 nan 0.000 0.505 28 I N 2.999 123.634 120.570 0.108 0.000 2.418 28 I HA 0.581 4.739 4.170 -0.020 0.000 0.287 28 I C 0.389 176.564 176.117 0.098 0.000 1.008 28 I CA -0.054 61.301 61.300 0.092 0.000 1.104 28 I CB 1.375 39.429 38.000 0.089 0.000 1.264 28 I HN 0.753 nan 8.210 nan 0.000 0.438 29 A N 8.051 130.923 122.820 0.086 0.000 2.281 29 A HA 0.899 5.207 4.320 -0.020 0.000 0.329 29 A C -2.554 175.082 177.584 0.087 0.000 1.122 29 A CA -1.509 50.580 52.037 0.086 0.000 0.850 29 A CB 0.439 19.482 19.000 0.072 0.000 1.207 29 A HN 0.443 nan 8.150 nan 0.000 0.495 30 P HA 0.570 nan 4.420 nan 0.000 0.277 30 P C -0.019 177.329 177.300 0.081 0.000 1.240 30 P CA 0.087 63.239 63.100 0.086 0.000 0.798 30 P CB 1.480 33.234 31.700 0.089 0.000 0.979 31 G N -0.888 107.960 108.800 0.080 0.000 2.466 31 G HA2 0.312 4.260 3.960 -0.020 0.000 0.291 31 G HA3 0.312 4.260 3.960 -0.020 0.000 0.291 31 G C -0.017 174.942 174.900 0.097 0.000 1.460 31 G CA -0.029 45.120 45.100 0.082 0.000 0.791 31 G HN 0.379 nan 8.290 nan 0.000 0.505 32 S N -1.193 114.570 115.700 0.106 0.000 2.510 32 S HA 0.023 4.481 4.470 -0.020 0.000 0.230 32 S C 2.186 176.828 174.600 0.070 0.000 1.066 32 S CA 1.032 59.324 58.200 0.154 0.000 0.941 32 S CB -0.100 63.206 63.200 0.177 0.000 0.829 32 S HN 0.502 nan 8.310 nan 0.000 0.530 33 R N 1.980 122.514 120.500 0.056 0.000 2.237 33 R HA 0.083 4.411 4.340 -0.020 0.000 0.219 33 R C 1.858 178.177 176.300 0.032 0.000 1.080 33 R CA 1.727 57.851 56.100 0.040 0.000 0.995 33 R CB -0.598 29.754 30.300 0.086 0.000 0.875 33 R HN 0.499 nan 8.270 nan 0.000 0.462 34 S N -2.142 113.580 115.700 0.037 0.000 2.603 34 S HA 0.003 4.461 4.470 -0.020 0.000 0.220 34 S C 1.543 176.103 174.600 -0.067 0.000 0.967 34 S CA 0.574 58.794 58.200 0.032 0.000 0.920 34 S CB -0.040 63.203 63.200 0.070 0.000 0.773 34 S HN 0.195 nan 8.310 nan 0.000 0.529 35 T N 3.909 118.390 114.554 -0.122 0.000 2.624 35 T HA -0.079 4.259 4.350 -0.020 0.000 0.268 35 T C -0.678 173.882 174.700 -0.233 0.000 1.041 35 T CA 1.989 63.998 62.100 -0.152 0.000 1.159 35 T CB -1.490 67.227 68.868 -0.252 0.000 0.863 35 T HN 0.409 nan 8.240 nan 0.000 0.434 36 P HA -0.045 nan 4.420 nan 0.000 0.215 36 P C 1.550 178.704 177.300 -0.244 0.000 1.157 36 P CA 1.065 63.862 63.100 -0.505 0.000 0.874 36 P CB -0.221 30.712 31.700 -1.278 0.000 0.790 37 L N -1.678 119.437 121.223 -0.179 0.000 2.027 37 L HA -0.129 4.199 4.340 -0.020 0.000 0.206 37 L C 2.442 179.330 176.870 0.030 0.000 1.074 37 L CA 1.795 56.652 54.840 0.029 0.000 0.745 37 L CB -1.721 40.416 42.059 0.130 0.000 0.898 37 L HN -0.010 nan 8.230 nan 0.000 0.433 38 T N 0.324 114.884 114.554 0.009 0.000 2.746 38 T HA -0.132 4.206 4.350 -0.020 0.000 0.267 38 T C 1.936 176.649 174.700 0.023 0.000 1.039 38 T CA 1.241 63.355 62.100 0.024 0.000 1.142 38 T CB -0.182 68.703 68.868 0.028 0.000 0.866 38 T HN 0.179 nan 8.240 nan 0.000 0.444 39 L N 0.466 121.692 121.223 0.006 0.000 2.156 39 L HA 0.056 4.384 4.340 -0.020 0.000 0.208 39 L C 3.021 179.922 176.870 0.052 0.000 1.095 39 L CA 0.886 55.737 54.840 0.018 0.000 0.770 39 L CB -0.695 41.367 42.059 0.006 0.000 0.914 39 L HN 0.241 nan 8.230 nan 0.000 0.439 40 A N 0.388 123.248 122.820 0.067 0.000 1.898 40 A HA -0.106 4.203 4.320 -0.020 0.000 0.216 40 A C 2.525 180.232 177.584 0.206 0.000 1.181 40 A CA 1.594 53.710 52.037 0.132 0.000 0.620 40 A CB -0.511 18.578 19.000 0.148 0.000 0.819 40 A HN 0.368 nan 8.150 nan 0.000 0.442 41 A N -0.310 122.621 122.820 0.184 0.000 1.969 41 A HA 0.252 4.560 4.320 -0.020 0.000 0.218 41 A C 2.419 180.238 177.584 0.391 0.000 1.169 41 A CA 1.766 53.956 52.037 0.256 0.000 0.635 41 A CB -0.780 18.251 19.000 0.051 0.000 0.810 41 A HN 0.944 nan 8.150 nan 0.000 0.445 42 A N 0.855 123.764 122.820 0.147 0.000 1.898 42 A HA -0.138 4.170 4.320 -0.020 0.000 0.216 42 A C 1.936 179.564 177.584 0.074 0.000 1.181 42 A CA 1.495 53.509 52.037 -0.039 0.000 0.620 42 A CB -0.496 18.451 19.000 -0.088 0.000 0.819 42 A HN 0.738 nan 8.150 nan 0.000 0.442 43 E N -0.390 119.881 120.200 0.118 0.000 2.481 43 E HA -0.056 4.282 4.350 -0.020 0.000 0.195 43 E C 0.131 176.816 176.600 0.143 0.000 1.047 43 E CA -0.031 56.432 56.400 0.105 0.000 0.867 43 E CB -0.295 29.448 29.700 0.073 0.000 0.858 43 E HN 0.391 nan 8.360 nan 0.000 0.513 44 N N 1.974 120.820 118.700 0.243 0.000 2.420 44 N HA -0.001 4.727 4.740 -0.020 0.000 0.249 44 N C 0.377 175.955 175.510 0.114 0.000 1.033 44 N CA 0.048 53.207 53.050 0.182 0.000 0.944 44 N CB 1.513 40.164 38.487 0.274 0.000 1.113 44 N HN 0.135 nan 8.380 nan 0.000 0.502 45 S N 2.016 117.716 115.700 -0.000 0.000 2.607 45 S HA -0.009 4.449 4.470 -0.020 0.000 0.224 45 S C 1.613 176.121 174.600 -0.154 0.000 0.969 45 S CA 0.321 58.509 58.200 -0.020 0.000 0.927 45 S CB 0.015 63.204 63.200 -0.018 0.000 0.772 45 S HN 0.526 nan 8.310 nan 0.000 0.533 46 A N 0.511 123.103 122.820 -0.379 0.000 2.119 46 A HA 0.327 4.635 4.320 -0.020 0.000 0.217 46 A C 0.281 177.577 177.584 -0.481 0.000 1.153 46 A CA 0.361 52.086 52.037 -0.521 0.000 0.692 46 A CB -0.451 18.089 19.000 -0.768 0.000 0.799 46 A HN 0.484 nan 8.150 nan 0.000 0.458 47 F N -0.795 119.052 119.950 -0.172 0.000 2.425 47 F HA 0.560 5.075 4.527 -0.020 0.000 0.331 47 F C 0.139 175.636 175.800 -0.505 0.000 1.085 47 F CA -1.604 56.177 58.000 -0.365 0.000 1.028 47 F CB 1.120 39.820 39.000 -0.499 0.000 1.177 47 F HN -0.133 nan 8.300 nan 0.000 0.487 48 I N 3.235 123.658 120.570 -0.245 0.000 2.307 48 I HA 0.211 4.369 4.170 -0.020 0.000 0.289 48 I C -0.714 175.168 176.117 -0.390 0.000 1.021 48 I CA -0.532 60.589 61.300 -0.298 0.000 1.224 48 I CB 0.387 38.232 38.000 -0.258 0.000 1.376 48 I HN 0.517 nan 8.210 nan 0.000 0.470 49 H N 5.141 124.109 119.070 -0.169 0.000 2.620 49 H HA 0.409 4.953 4.556 -0.020 0.000 0.313 49 H C -0.520 174.611 175.328 -0.329 0.000 1.075 49 H CA -0.260 55.698 56.048 -0.149 0.000 1.397 49 H CB 0.547 30.284 29.762 -0.041 0.000 1.446 49 H HN 0.436 nan 8.280 nan 0.000 0.493 50 H N 1.610 120.771 119.070 0.152 0.000 2.538 50 H HA 0.347 4.891 4.556 -0.020 0.000 0.353 50 H C -0.159 175.224 175.328 0.091 0.000 1.109 50 H CA -0.788 55.320 56.048 0.099 0.000 1.192 50 H CB 1.923 31.715 29.762 0.051 0.000 1.555 50 H HN 0.728 nan 8.280 nan 0.000 0.518 51 T N -0.310 114.362 114.554 0.196 0.000 2.908 51 T HA 0.483 4.821 4.350 -0.020 0.000 0.290 51 T C -0.676 174.140 174.700 0.193 0.000 1.034 51 T CA -0.758 61.444 62.100 0.169 0.000 1.010 51 T CB 2.714 71.671 68.868 0.149 0.000 1.068 51 T HN 0.672 nan 8.240 nan 0.000 0.481 52 H N 0.470 119.550 119.070 0.017 0.000 3.037 52 H HA 0.485 5.029 4.556 -0.020 0.000 0.355 52 H C -0.214 175.085 175.328 -0.048 0.000 1.263 52 H CA -1.725 54.258 56.048 -0.108 0.000 1.129 52 H CB 1.253 30.873 29.762 -0.236 0.000 1.861 52 H HN 0.620 nan 8.280 nan 0.000 0.546 53 F N -0.827 118.914 119.950 -0.350 0.000 2.619 53 F HA 0.276 4.791 4.527 -0.020 0.000 0.293 53 F C 0.481 176.108 175.800 -0.288 0.000 1.119 53 F CA -0.295 57.557 58.000 -0.246 0.000 1.445 53 F CB 0.324 39.225 39.000 -0.165 0.000 1.119 53 F HN 0.296 nan 8.300 nan 0.000 0.573 54 D N 1.769 121.615 120.400 -0.923 0.000 2.347 54 D HA 0.075 4.703 4.640 -0.020 0.000 0.235 54 D C 0.578 176.797 176.300 -0.134 0.000 1.149 54 D CA 0.117 53.910 54.000 -0.343 0.000 0.850 54 D CB 1.331 41.940 40.800 -0.318 0.000 1.061 54 D HN 0.243 nan 8.370 nan 0.000 0.487 55 E N 2.577 122.773 120.200 -0.007 0.000 2.153 55 E HA -0.164 4.174 4.350 -0.020 0.000 0.194 55 E C 1.884 178.524 176.600 0.067 0.000 0.988 55 E CA 0.822 57.246 56.400 0.041 0.000 0.811 55 E CB 0.175 29.913 29.700 0.062 0.000 0.746 55 E HN 0.456 nan 8.360 nan 0.000 0.466 56 R N 0.150 120.708 120.500 0.097 0.000 2.073 56 R HA -0.117 4.211 4.340 -0.020 0.000 0.234 56 R C 2.302 178.733 176.300 0.219 0.000 1.134 56 R CA 1.668 57.858 56.100 0.151 0.000 0.952 56 R CB -0.587 29.828 30.300 0.192 0.000 0.850 56 R HN 0.274 nan 8.270 nan 0.000 0.433 57 G N 1.596 110.506 108.800 0.183 0.000 2.459 57 G HA2 -0.312 3.636 3.960 -0.020 0.000 0.217 57 G HA3 -0.312 3.636 3.960 -0.020 0.000 0.217 57 G C 1.358 176.335 174.900 0.128 0.000 1.183 57 G CA 0.895 46.102 45.100 0.180 0.000 0.776 57 G HN 0.315 nan 8.290 nan 0.000 0.552 58 L N 1.436 122.737 121.223 0.130 0.000 1.997 58 L HA -0.054 4.274 4.340 -0.020 0.000 0.216 58 L C 2.981 179.846 176.870 -0.009 0.000 1.074 58 L CA 2.630 57.504 54.840 0.055 0.000 0.763 58 L CB -0.951 41.145 42.059 0.062 0.000 0.890 58 L HN 0.229 nan 8.230 nan 0.000 0.434 59 G N -2.161 106.621 108.800 -0.029 0.000 2.476 59 G HA2 -0.360 3.588 3.960 -0.020 0.000 0.218 59 G HA3 -0.360 3.588 3.960 -0.020 0.000 0.218 59 G C 1.330 176.117 174.900 -0.188 0.000 1.164 59 G CA 1.355 46.372 45.100 -0.138 0.000 0.768 59 G HN 0.613 nan 8.290 nan 0.000 0.560 60 H N -0.780 118.245 119.070 -0.075 0.000 2.428 60 H HA 0.079 4.624 4.556 -0.020 0.000 0.296 60 H C 2.267 177.504 175.328 -0.152 0.000 1.062 60 H CA 0.889 56.876 56.048 -0.102 0.000 1.350 60 H CB -0.005 29.701 29.762 -0.092 0.000 1.403 60 H HN 0.302 nan 8.280 nan 0.000 0.533 61 L N 0.686 121.874 121.223 -0.058 0.000 2.017 61 L HA -0.101 4.227 4.340 -0.020 0.000 0.208 61 L C 2.345 179.093 176.870 -0.203 0.000 1.073 61 L CA 1.860 56.597 54.840 -0.171 0.000 0.745 61 L CB -0.938 41.003 42.059 -0.197 0.000 0.894 61 L HN 0.225 nan 8.230 nan 0.000 0.432 62 A N -0.548 122.178 122.820 -0.157 0.000 1.933 62 A HA -0.218 4.090 4.320 -0.020 0.000 0.218 62 A C 2.301 179.797 177.584 -0.147 0.000 1.175 62 A CA 1.946 53.892 52.037 -0.151 0.000 0.628 62 A CB -1.087 17.854 19.000 -0.098 0.000 0.814 62 A HN 0.556 nan 8.150 nan 0.000 0.444 63 L N -0.067 121.077 121.223 -0.132 0.000 2.042 63 L HA -0.063 4.266 4.340 -0.020 0.000 0.210 63 L C 2.384 179.187 176.870 -0.112 0.000 1.076 63 L CA 2.355 57.131 54.840 -0.107 0.000 0.749 63 L CB -0.794 41.212 42.059 -0.090 0.000 0.893 63 L HN 0.298 nan 8.230 nan 0.000 0.432 64 G N -0.385 108.322 108.800 -0.154 0.000 2.421 64 G HA2 -0.219 3.729 3.960 -0.020 0.000 0.216 64 G HA3 -0.219 3.729 3.960 -0.020 0.000 0.216 64 G C 1.573 176.318 174.900 -0.259 0.000 1.171 64 G CA 1.027 45.998 45.100 -0.214 0.000 0.775 64 G HN 0.412 nan 8.290 nan 0.000 0.543 65 L N 0.682 121.729 121.223 -0.293 0.000 1.990 65 L HA -0.166 4.162 4.340 -0.020 0.000 0.213 65 L C 3.446 180.177 176.870 -0.232 0.000 1.072 65 L CA 1.381 56.008 54.840 -0.355 0.000 0.755 65 L CB -0.502 41.264 42.059 -0.489 0.000 0.889 65 L HN 0.330 nan 8.230 nan 0.000 0.432 66 A N -0.435 122.293 122.820 -0.154 0.000 1.933 66 A HA -0.244 4.064 4.320 -0.020 0.000 0.218 66 A C 2.382 179.925 177.584 -0.069 0.000 1.175 66 A CA 1.813 53.801 52.037 -0.080 0.000 0.628 66 A CB -0.460 18.508 19.000 -0.054 0.000 0.814 66 A HN 0.315 nan 8.150 nan 0.000 0.444 67 K N -0.397 119.952 120.400 -0.085 0.000 2.044 67 K HA -0.141 4.167 4.320 -0.020 0.000 0.210 67 K C 1.823 178.385 176.600 -0.063 0.000 1.049 67 K CA 1.964 58.224 56.287 -0.045 0.000 0.927 67 K CB -0.239 32.236 32.500 -0.041 0.000 0.713 67 K HN 0.291 nan 8.250 nan 0.000 0.443 68 V N 0.593 120.382 119.914 -0.210 0.000 2.446 68 V HA -0.159 3.949 4.120 -0.020 0.000 0.244 68 V C 2.291 178.340 176.094 -0.076 0.000 1.039 68 V CA 1.869 64.024 62.300 -0.241 0.000 1.045 68 V CB 0.057 31.605 31.823 -0.458 0.000 0.681 68 V HN 0.503 nan 8.190 nan 0.000 0.459 69 S N -1.104 114.550 115.700 -0.076 0.000 2.428 69 S HA -0.148 4.310 4.470 -0.020 0.000 0.230 69 S C 1.278 175.884 174.600 0.010 0.000 1.014 69 S CA 0.685 58.877 58.200 -0.013 0.000 0.957 69 S CB -0.147 63.061 63.200 0.014 0.000 0.784 69 S HN 0.491 nan 8.310 nan 0.000 0.499 70 K N -0.486 119.916 120.400 0.003 0.000 3.407 70 K HA -0.116 4.193 4.320 -0.020 0.000 0.312 70 K C -0.540 176.067 176.600 0.010 0.000 1.302 70 K CA 1.089 57.380 56.287 0.007 0.000 0.931 70 K CB -1.726 30.781 32.500 0.012 0.000 1.257 70 K HN 0.536 nan 8.250 nan 0.000 0.454 71 Q N 0.139 119.954 119.800 0.025 0.000 2.248 71 Q HA 0.447 4.775 4.340 -0.020 0.000 0.263 71 Q C -2.257 173.770 176.000 0.044 0.000 1.007 71 Q CA -2.027 53.801 55.803 0.043 0.000 0.877 71 Q CB 1.187 29.968 28.738 0.071 0.000 1.315 71 Q HN -0.042 nan 8.270 nan 0.000 0.454 72 P HA 0.141 nan 4.420 nan 0.000 0.271 72 P C -0.704 176.641 177.300 0.075 0.000 1.218 72 P CA -0.090 63.041 63.100 0.051 0.000 0.780 72 P CB 0.709 32.444 31.700 0.058 0.000 0.901 73 V N 2.044 121.988 119.914 0.050 0.000 2.531 73 V HA 0.583 4.691 4.120 -0.020 0.000 0.301 73 V C 0.292 176.406 176.094 0.034 0.000 1.034 73 V CA -0.809 61.527 62.300 0.061 0.000 0.865 73 V CB 1.669 33.501 31.823 0.015 0.000 0.995 73 V HN 0.757 nan 8.190 nan 0.000 0.424 74 A N 4.337 127.176 122.820 0.032 0.000 2.282 74 A HA 0.928 5.236 4.320 -0.020 0.000 0.319 74 A C -0.791 176.789 177.584 -0.006 0.000 1.121 74 A CA -0.558 51.480 52.037 0.001 0.000 0.836 74 A CB 1.559 20.538 19.000 -0.036 0.000 1.146 74 A HN 0.737 nan 8.150 nan 0.000 0.494 75 V N 1.925 121.844 119.914 0.007 0.000 2.686 75 V HA 0.378 4.486 4.120 -0.020 0.000 0.306 75 V C -0.837 175.284 176.094 0.044 0.000 1.065 75 V CA -0.142 62.170 62.300 0.020 0.000 0.894 75 V CB 1.750 33.581 31.823 0.012 0.000 1.004 75 V HN 0.753 nan 8.190 nan 0.000 0.424 76 I N 5.618 126.218 120.570 0.050 0.000 2.362 76 I HA 0.640 4.798 4.170 -0.020 0.000 0.289 76 I C -0.356 175.812 176.117 0.085 0.000 0.994 76 I CA -0.705 60.639 61.300 0.073 0.000 1.158 76 I CB 1.826 39.863 38.000 0.061 0.000 1.315 76 I HN 0.532 nan 8.210 nan 0.000 0.451 77 V N 1.938 121.915 119.914 0.104 0.000 3.074 77 V HA 0.632 4.740 4.120 -0.020 0.000 0.314 77 V C -0.207 175.953 176.094 0.111 0.000 1.117 77 V CA -0.506 61.854 62.300 0.101 0.000 1.014 77 V CB 1.773 33.655 31.823 0.099 0.000 1.057 77 V HN 0.650 nan 8.190 nan 0.000 0.438 78 T N 1.299 115.912 114.554 0.098 0.000 2.824 78 T HA 0.484 4.822 4.350 -0.020 0.000 0.277 78 T C 0.573 175.328 174.700 0.092 0.000 0.975 78 T CA 0.421 62.580 62.100 0.098 0.000 0.966 78 T CB 1.060 69.979 68.868 0.085 0.000 1.054 78 T HN 1.726 nan 8.240 nan 0.000 0.533 79 S N 0.625 116.377 115.700 0.086 0.000 2.589 79 S HA 0.614 5.072 4.470 -0.020 0.000 0.265 79 S C 0.850 175.481 174.600 0.052 0.000 1.342 79 S CA 0.220 58.460 58.200 0.067 0.000 1.005 79 S CB 0.005 63.240 63.200 0.059 0.000 0.909 79 S HN 1.751 nan 8.310 nan 0.000 0.555 80 G N 0.903 109.723 108.800 0.033 0.000 2.445 80 G HA2 -0.191 3.757 3.960 -0.020 0.000 0.212 80 G HA3 -0.191 3.757 3.960 -0.020 0.000 0.212 80 G C 0.650 175.566 174.900 0.026 0.000 1.217 80 G CA 0.724 45.839 45.100 0.026 0.000 1.002 80 G HN 1.904 nan 8.290 nan 0.000 0.574 81 T N -0.750 113.825 114.554 0.035 0.000 3.007 81 T HA 0.305 4.644 4.350 -0.020 0.000 0.270 81 T C 2.554 177.292 174.700 0.063 0.000 1.107 81 T CA 2.330 64.457 62.100 0.045 0.000 1.118 81 T CB -0.383 68.515 68.868 0.049 0.000 0.889 81 T HN 2.057 nan 8.240 nan 0.000 0.506 82 A N 1.415 124.274 122.820 0.065 0.000 1.948 82 A HA -0.025 4.283 4.320 -0.020 0.000 0.220 82 A C 2.576 180.217 177.584 0.094 0.000 1.177 82 A CA 1.935 54.019 52.037 0.078 0.000 0.636 82 A CB -1.121 17.925 19.000 0.076 0.000 0.815 82 A HN 0.481 nan 8.150 nan 0.000 0.449 83 V N -0.385 119.581 119.914 0.086 0.000 2.379 83 V HA -0.179 3.929 4.120 -0.020 0.000 0.245 83 V C 3.012 179.212 176.094 0.176 0.000 1.044 83 V CA 1.695 64.064 62.300 0.116 0.000 1.036 83 V CB -1.441 30.401 31.823 0.031 0.000 0.664 83 V HN 0.608 nan 8.190 nan 0.000 0.453 84 A N 0.508 123.381 122.820 0.087 0.000 1.917 84 A HA -0.280 4.028 4.320 -0.020 0.000 0.219 84 A C 2.071 179.789 177.584 0.224 0.000 1.182 84 A CA 2.144 54.263 52.037 0.138 0.000 0.633 84 A CB -0.839 18.211 19.000 0.083 0.000 0.819 84 A HN 0.618 nan 8.150 nan 0.000 0.448 85 N N -0.189 118.609 118.700 0.163 0.000 2.443 85 N HA -0.067 4.661 4.740 -0.020 0.000 0.184 85 N C 1.299 176.882 175.510 0.121 0.000 1.037 85 N CA 0.978 54.116 53.050 0.147 0.000 0.896 85 N CB -0.198 38.358 38.487 0.116 0.000 0.959 85 N HN 0.533 nan 8.380 nan 0.000 0.442 86 L N -0.350 120.942 121.223 0.115 0.000 2.554 86 L HA -0.060 4.268 4.340 -0.020 0.000 0.226 86 L C 2.033 178.830 176.870 -0.122 0.000 1.137 86 L CA 0.129 54.954 54.840 -0.024 0.000 0.863 86 L CB -0.375 41.657 42.059 -0.044 0.000 0.985 86 L HN 0.098 nan 8.230 nan 0.000 0.451 87 Y N 2.024 122.243 120.300 -0.135 0.000 2.128 87 Y HA -0.135 4.404 4.550 -0.019 0.000 0.284 87 Y C -0.182 175.575 175.900 -0.238 0.000 1.154 87 Y CA 0.888 58.860 58.100 -0.213 0.000 1.149 87 Y CB -1.584 36.913 38.460 0.061 0.000 0.976 87 Y HN 0.160 nan 8.280 nan 0.000 0.505 88 P HA -0.130 nan 4.420 nan 0.000 0.216 88 P C 1.561 178.719 177.300 -0.236 0.000 1.153 88 P CA 2.413 65.438 63.100 -0.127 0.000 0.848 88 P CB -0.253 31.468 31.700 0.035 0.000 0.787 89 A N -0.597 121.965 122.820 -0.429 0.000 1.902 89 A HA -0.178 4.130 4.320 -0.020 0.000 0.217 89 A C 2.174 179.598 177.584 -0.266 0.000 1.181 89 A CA 1.447 53.195 52.037 -0.482 0.000 0.623 89 A CB -1.708 16.958 19.000 -0.556 0.000 0.818 89 A HN 0.148 nan 8.150 nan 0.000 0.443 90 L N -0.229 120.839 121.223 -0.259 0.000 2.042 90 L HA -0.128 4.201 4.340 -0.020 0.000 0.210 90 L C 2.247 179.038 176.870 -0.130 0.000 1.076 90 L CA 1.759 56.464 54.840 -0.225 0.000 0.749 90 L CB -0.301 41.522 42.059 -0.393 0.000 0.893 90 L HN 0.437 nan 8.230 nan 0.000 0.432 91 I N -0.813 119.658 120.570 -0.164 0.000 2.315 91 I HA -0.235 3.923 4.170 -0.020 0.000 0.248 91 I C 2.425 178.494 176.117 -0.080 0.000 1.117 91 I CA 1.216 62.418 61.300 -0.164 0.000 1.404 91 I CB -0.162 37.616 38.000 -0.371 0.000 1.071 91 I HN 0.332 nan 8.210 nan 0.000 0.419 92 E N 1.344 121.490 120.200 -0.090 0.000 2.107 92 E HA -0.157 4.181 4.350 -0.020 0.000 0.191 92 E C 2.094 178.677 176.600 -0.029 0.000 0.982 92 E CA 1.473 57.847 56.400 -0.043 0.000 0.809 92 E CB -0.093 29.593 29.700 -0.023 0.000 0.756 92 E HN 0.399 nan 8.360 nan 0.000 0.459 93 A N 0.194 122.983 122.820 -0.052 0.000 1.930 93 A HA 0.018 4.326 4.320 -0.020 0.000 0.217 93 A C 2.421 179.996 177.584 -0.014 0.000 1.175 93 A CA 1.438 53.452 52.037 -0.038 0.000 0.627 93 A CB -1.207 17.755 19.000 -0.064 0.000 0.815 93 A HN 0.398 nan 8.150 nan 0.000 0.443 94 G N -0.675 108.123 108.800 -0.003 0.000 2.498 94 G HA2 -0.042 3.906 3.960 -0.020 0.000 0.219 94 G HA3 -0.042 3.906 3.960 -0.020 0.000 0.219 94 G C 1.399 176.316 174.900 0.028 0.000 1.119 94 G CA 0.995 46.111 45.100 0.027 0.000 0.766 94 G HN 0.443 nan 8.290 nan 0.000 0.552 95 L N 0.088 121.323 121.223 0.020 0.000 2.362 95 L HA 0.099 4.427 4.340 -0.020 0.000 0.204 95 L C 2.886 179.766 176.870 0.015 0.000 1.060 95 L CA 1.469 56.319 54.840 0.018 0.000 0.827 95 L CB -0.122 41.946 42.059 0.015 0.000 1.027 95 L HN 0.318 nan 8.230 nan 0.000 0.474 96 T N -4.460 110.102 114.554 0.014 0.000 3.022 96 T HA 0.302 4.640 4.350 -0.020 0.000 0.250 96 T C 1.343 176.055 174.700 0.021 0.000 1.060 96 T CA 0.599 62.711 62.100 0.019 0.000 1.013 96 T CB 0.996 69.880 68.868 0.025 0.000 0.982 96 T HN 0.396 nan 8.240 nan 0.000 0.508 97 G N 0.936 109.745 108.800 0.015 0.000 2.201 97 G HA2 -0.178 3.770 3.960 -0.020 0.000 0.212 97 G HA3 -0.178 3.770 3.960 -0.020 0.000 0.212 97 G C -0.228 174.671 174.900 -0.002 0.000 0.994 97 G CA -0.299 44.810 45.100 0.015 0.000 0.644 97 G HN 0.569 nan 8.290 nan 0.000 0.508 98 E N 0.992 121.188 120.200 -0.007 0.000 2.467 98 E HA 0.370 4.708 4.350 -0.020 0.000 0.264 98 E C 0.465 177.051 176.600 -0.024 0.000 1.020 98 E CA 0.698 57.086 56.400 -0.019 0.000 0.945 98 E CB 0.370 30.051 29.700 -0.030 0.000 0.942 98 E HN 0.387 nan 8.360 nan 0.000 0.449 99 K N 2.879 123.265 120.400 -0.022 0.000 2.300 99 K HA 0.291 4.599 4.320 -0.020 0.000 0.264 99 K C -0.714 175.876 176.600 -0.017 0.000 1.083 99 K CA -0.155 56.121 56.287 -0.017 0.000 0.958 99 K CB 0.430 32.925 32.500 -0.009 0.000 1.318 99 K HN 0.293 nan 8.250 nan 0.000 0.448 100 L N 4.893 126.100 121.223 -0.027 0.000 2.280 100 L HA 0.403 4.731 4.340 -0.020 0.000 0.287 100 L C -0.299 176.566 176.870 -0.008 0.000 1.023 100 L CA -0.951 53.870 54.840 -0.032 0.000 0.819 100 L CB 0.886 42.902 42.059 -0.071 0.000 1.212 100 L HN 0.387 nan 8.230 nan 0.000 0.420 101 I N 5.558 126.135 120.570 0.013 0.000 2.291 101 I HA 0.239 4.397 4.170 -0.020 0.000 0.290 101 I C 0.079 176.230 176.117 0.057 0.000 1.050 101 I CA -0.267 61.057 61.300 0.040 0.000 1.245 101 I CB 0.911 38.937 38.000 0.043 0.000 1.405 101 I HN 0.470 nan 8.210 nan 0.000 0.478 102 L N 7.192 128.473 121.223 0.096 0.000 2.270 102 L HA 0.410 4.738 4.340 -0.020 0.000 0.286 102 L C -0.072 176.920 176.870 0.203 0.000 1.059 102 L CA -0.384 54.537 54.840 0.135 0.000 0.839 102 L CB 0.455 42.592 42.059 0.130 0.000 1.221 102 L HN 0.359 nan 8.230 nan 0.000 0.431 103 L N 4.218 125.533 121.223 0.153 0.000 2.282 103 L HA 0.316 4.644 4.340 -0.020 0.000 0.287 103 L C 0.423 177.405 176.870 0.186 0.000 1.075 103 L CA -0.247 54.693 54.840 0.165 0.000 0.839 103 L CB 0.637 42.777 42.059 0.135 0.000 1.219 103 L HN 0.591 nan 8.230 nan 0.000 0.434 104 T N 0.106 114.793 114.554 0.222 0.000 2.809 104 T HA 0.686 5.024 4.350 -0.020 0.000 0.296 104 T C 0.148 174.959 174.700 0.186 0.000 1.015 104 T CA -0.713 61.517 62.100 0.215 0.000 0.954 104 T CB 1.672 70.712 68.868 0.286 0.000 0.950 104 T HN 0.529 nan 8.240 nan 0.000 0.450 105 A N 3.143 126.077 122.820 0.191 0.000 2.445 105 A HA 0.563 4.871 4.320 -0.020 0.000 0.242 105 A C 0.195 177.861 177.584 0.137 0.000 1.075 105 A CA -0.294 51.875 52.037 0.219 0.000 0.777 105 A CB 0.190 19.343 19.000 0.255 0.000 1.013 105 A HN 0.913 nan 8.150 nan 0.000 0.493 106 D N -0.360 120.102 120.400 0.103 0.000 2.552 106 D HA 0.406 5.034 4.640 -0.020 0.000 0.239 106 D C -0.314 176.011 176.300 0.042 0.000 1.139 106 D CA -0.593 53.433 54.000 0.043 0.000 0.914 106 D CB 1.158 41.952 40.800 -0.010 0.000 1.461 106 D HN 0.428 nan 8.370 nan 0.000 0.462 107 R N 1.151 121.663 120.500 0.021 0.000 2.615 107 R HA 0.376 4.704 4.340 -0.020 0.000 0.270 107 R C -1.931 174.355 176.300 -0.024 0.000 1.081 107 R CA -1.240 54.867 56.100 0.012 0.000 1.154 107 R CB -0.109 30.195 30.300 0.008 0.000 1.063 107 R HN 0.397 nan 8.270 nan 0.000 0.519 108 P HA 0.124 nan 4.420 nan 0.000 0.276 108 P C -1.945 175.321 177.300 -0.057 0.000 1.252 108 P CA -1.401 61.659 63.100 -0.067 0.000 0.802 108 P CB 0.222 31.882 31.700 -0.066 0.000 1.035 109 P HA -0.215 nan 4.420 nan 0.000 0.217 109 P C 0.998 178.272 177.300 -0.042 0.000 1.151 109 P CA 1.828 64.896 63.100 -0.054 0.000 0.849 109 P CB -0.165 31.498 31.700 -0.061 0.000 0.787 110 E N -0.149 120.026 120.200 -0.043 0.000 2.204 110 E HA -0.088 4.250 4.350 -0.020 0.000 0.195 110 E C 1.847 178.432 176.600 -0.024 0.000 0.990 110 E CA 0.735 57.115 56.400 -0.033 0.000 0.821 110 E CB -1.005 28.674 29.700 -0.034 0.000 0.750 110 E HN 0.317 nan 8.360 nan 0.000 0.477 111 L N 0.746 121.955 121.223 -0.023 0.000 2.628 111 L HA 0.151 4.479 4.340 -0.020 0.000 0.229 111 L C -0.106 176.757 176.870 -0.012 0.000 1.137 111 L CA -0.391 54.440 54.840 -0.014 0.000 0.909 111 L CB 0.174 42.228 42.059 -0.008 0.000 1.137 111 L HN 0.084 nan 8.230 nan 0.000 0.470 112 I N -0.157 120.402 120.570 -0.017 0.000 2.440 112 I HA 0.162 4.320 4.170 -0.020 0.000 0.294 112 I C 0.278 176.387 176.117 -0.013 0.000 0.995 112 I CA -0.228 61.063 61.300 -0.015 0.000 1.306 112 I CB 0.902 38.890 38.000 -0.020 0.000 1.407 112 I HN 0.075 nan 8.210 nan 0.000 0.501 113 D N 3.693 124.087 120.400 -0.011 0.000 2.699 113 D HA -0.179 4.449 4.640 -0.020 0.000 0.239 113 D C 0.348 176.643 176.300 -0.008 0.000 1.136 113 D CA 0.981 54.976 54.000 -0.009 0.000 0.668 113 D CB -1.053 39.740 40.800 -0.010 0.000 1.060 113 D HN 0.863 nan 8.370 nan 0.000 0.429 114 C N -3.536 115.760 119.300 -0.006 0.000 3.797 114 C HA 0.660 5.108 4.460 -0.020 0.000 0.321 114 C C 1.608 176.596 174.990 -0.003 0.000 2.729 114 C CA 0.315 59.330 59.018 -0.006 0.000 1.592 114 C CB 0.133 27.868 27.740 -0.008 0.000 3.301 114 C HN 0.923 nan 8.230 nan 0.000 0.365 115 G N 1.303 110.102 108.800 -0.002 0.000 2.162 115 G HA2 0.137 4.085 3.960 -0.020 0.000 0.260 115 G HA3 0.137 4.085 3.960 -0.020 0.000 0.260 115 G C 0.418 175.320 174.900 0.002 0.000 0.976 115 G CA 0.294 45.395 45.100 0.001 0.000 0.655 115 G HN 2.083 nan 8.290 nan 0.000 0.533 116 A N -0.137 122.684 122.820 0.002 0.000 2.511 116 A HA 0.506 4.814 4.320 -0.020 0.000 0.242 116 A C 0.577 178.166 177.584 0.008 0.000 1.069 116 A CA 0.738 52.777 52.037 0.004 0.000 0.763 116 A CB 0.090 19.092 19.000 0.003 0.000 1.001 116 A HN 1.069 nan 8.150 nan 0.000 0.498 117 N N 1.250 119.957 118.700 0.011 0.000 2.492 117 N HA 0.110 4.838 4.740 -0.020 0.000 0.262 117 N C 0.478 175.999 175.510 0.018 0.000 1.202 117 N CA 0.924 53.983 53.050 0.015 0.000 0.926 117 N CB 0.208 38.705 38.487 0.017 0.000 1.078 117 N HN 0.777 nan 8.380 nan 0.000 0.454 118 Q N 0.352 120.163 119.800 0.018 0.000 2.475 118 Q HA -0.260 4.068 4.340 -0.020 0.000 0.280 118 Q C -1.578 174.434 176.000 0.020 0.000 1.234 118 Q CA 0.742 56.558 55.803 0.022 0.000 0.873 118 Q CB -1.420 27.336 28.738 0.030 0.000 1.256 118 Q HN 0.647 nan 8.270 nan 0.000 0.475 119 A N 1.038 123.866 122.820 0.013 0.000 2.318 119 A HA 0.828 5.136 4.320 -0.020 0.000 0.317 119 A C -0.198 177.386 177.584 0.000 0.000 1.159 119 A CA -0.340 51.701 52.037 0.007 0.000 0.799 119 A CB 0.840 19.842 19.000 0.004 0.000 1.194 119 A HN 0.605 nan 8.150 nan 0.000 0.479 120 I N -1.322 119.245 120.570 -0.006 0.000 3.095 120 I HA 0.625 4.784 4.170 -0.020 0.000 0.310 120 I C -0.471 175.632 176.117 -0.025 0.000 1.196 120 I CA -1.282 60.009 61.300 -0.015 0.000 0.985 120 I CB 1.998 39.987 38.000 -0.019 0.000 1.250 120 I HN 0.531 nan 8.210 nan 0.000 0.446 121 R N 2.546 123.028 120.500 -0.031 0.000 2.288 121 R HA 0.204 4.532 4.340 -0.020 0.000 0.330 121 R C 0.120 176.385 176.300 -0.058 0.000 1.069 121 R CA 0.043 56.121 56.100 -0.037 0.000 0.941 121 R CB 0.810 31.091 30.300 -0.030 0.000 0.998 121 R HN 0.713 nan 8.270 nan 0.000 0.452 122 Q N 1.940 121.708 119.800 -0.053 0.000 2.442 122 Q HA 0.111 4.440 4.340 -0.020 0.000 0.228 122 Q C -1.585 174.393 176.000 -0.037 0.000 0.902 122 Q CA -0.143 55.620 55.803 -0.067 0.000 0.933 122 Q CB 0.015 28.736 28.738 -0.027 0.000 1.071 122 Q HN 0.431 nan 8.270 nan 0.000 0.562 123 P HA 0.091 nan 4.420 nan 0.000 0.267 123 P C -0.052 177.246 177.300 -0.005 0.000 1.205 123 P CA 1.097 64.182 63.100 -0.026 0.000 0.765 123 P CB 0.705 32.384 31.700 -0.035 0.000 0.828 127 A N 1.263 124.219 122.820 0.227 0.000 5.395 127 A HA -0.443 3.865 4.320 -0.020 0.000 0.332 127 A C 1.748 179.436 177.584 0.173 0.000 1.754 127 A CA 2.493 54.652 52.037 0.203 0.000 0.716 127 A CB -1.887 17.261 19.000 0.246 0.000 1.411 127 A HN 1.020 nan 8.150 nan 0.000 0.398 128 S N -1.108 114.623 115.700 0.052 0.000 2.603 128 S HA 0.085 4.543 4.470 -0.020 0.000 0.220 128 S C 1.236 175.768 174.600 -0.113 0.000 0.967 128 S CA 0.968 59.128 58.200 -0.067 0.000 0.920 128 S CB -0.497 62.611 63.200 -0.153 0.000 0.773 128 S HN 0.711 nan 8.310 nan 0.000 0.529 129 H N 1.771 120.942 119.070 0.168 0.000 2.482 129 H HA 0.226 4.770 4.556 -0.020 0.000 0.286 129 H C -1.743 173.631 175.328 0.076 0.000 1.017 129 H CA -0.113 56.014 56.048 0.132 0.000 1.322 129 H CB -1.363 28.528 29.762 0.216 0.000 1.426 129 H HN 0.430 nan 8.280 nan 0.000 0.546 130 P HA 0.059 nan 4.420 nan 0.000 0.274 130 P C 0.840 178.164 177.300 0.040 0.000 1.231 130 P CA 0.226 63.393 63.100 0.113 0.000 0.790 130 P CB 1.087 32.905 31.700 0.197 0.000 0.951 131 T N -0.367 114.162 114.554 -0.041 0.000 2.698 131 T HA -0.049 4.289 4.350 -0.020 0.000 0.260 131 T C 0.506 175.054 174.700 -0.254 0.000 1.044 131 T CA 1.434 63.419 62.100 -0.192 0.000 1.149 131 T CB -0.463 68.218 68.868 -0.312 0.000 0.864 131 T HN 0.451 nan 8.240 nan 0.000 0.419 132 H N 0.396 119.490 119.070 0.040 0.000 2.524 132 H HA 0.628 5.172 4.556 -0.019 0.000 0.353 132 H C -0.827 174.550 175.328 0.081 0.000 1.136 132 H CA -0.614 55.459 56.048 0.042 0.000 1.193 132 H CB 1.498 31.255 29.762 -0.007 0.000 1.558 132 H HN 0.055 nan 8.280 nan 0.000 0.515 133 S N 2.994 118.823 115.700 0.215 0.000 2.530 133 S HA 0.419 4.877 4.470 -0.020 0.000 0.322 133 S C 0.348 174.995 174.600 0.078 0.000 1.085 133 S CA -0.645 57.647 58.200 0.154 0.000 1.096 133 S CB 0.416 63.713 63.200 0.161 0.000 0.988 133 S HN 0.360 nan 8.310 nan 0.000 0.466 134 I N 2.394 122.975 120.570 0.018 0.000 2.321 134 I HA 0.301 4.459 4.170 -0.020 0.000 0.291 134 I C 0.340 176.429 176.117 -0.048 0.000 0.998 134 I CA -0.260 61.040 61.300 0.001 0.000 1.227 134 I CB 1.608 39.600 38.000 -0.014 0.000 1.368 134 I HN 0.429 nan 8.210 nan 0.000 0.466 135 S N 7.470 123.173 115.700 0.005 0.000 2.488 135 S HA 0.464 4.922 4.470 -0.020 0.000 0.310 135 S C -0.089 174.561 174.600 0.084 0.000 1.093 135 S CA -0.637 57.557 58.200 -0.009 0.000 1.129 135 S CB -0.026 63.168 63.200 -0.009 0.000 0.989 135 S HN 0.375 nan 8.310 nan 0.000 0.479 136 L N 6.430 127.714 121.223 0.102 0.000 2.485 136 L HA 0.262 4.590 4.340 -0.020 0.000 0.275 136 L C -1.520 175.447 176.870 0.162 0.000 1.207 136 L CA -1.345 53.641 54.840 0.244 0.000 0.855 136 L CB 0.184 42.405 42.059 0.270 0.000 1.114 136 L HN 0.418 nan 8.230 nan 0.000 0.485 137 P HA 0.075 nan 4.420 nan 0.000 0.274 137 P C -0.686 176.546 177.300 -0.114 0.000 1.256 137 P CA -0.727 62.389 63.100 0.027 0.000 0.795 137 P CB 0.524 32.215 31.700 -0.015 0.000 1.038 138 R N 1.348 121.731 120.500 -0.196 0.000 2.486 138 R HA 0.078 4.406 4.340 -0.020 0.000 0.303 138 R C -1.878 174.124 176.300 -0.496 0.000 0.958 138 R CA -0.952 54.963 56.100 -0.309 0.000 1.077 138 R CB -0.725 29.448 30.300 -0.213 0.000 0.921 138 R HN 0.351 nan 8.270 nan 0.000 0.406 139 P HA 0.012 nan 4.420 nan 0.000 0.267 139 P C -0.893 176.055 177.300 -0.587 0.000 1.205 139 P CA 0.238 62.504 63.100 -1.390 0.000 0.765 139 P CB 1.266 32.137 31.700 -1.383 0.000 0.828 140 T N 1.487 115.805 114.554 -0.394 0.000 2.982 140 T HA 0.137 4.475 4.350 -0.020 0.000 0.321 140 T C 0.595 175.102 174.700 -0.322 0.000 1.229 140 T CA -0.504 61.391 62.100 -0.343 0.000 1.044 140 T CB 1.070 69.805 68.868 -0.220 0.000 1.184 140 T HN 0.274 nan 8.240 nan 0.000 0.477 141 Q N 1.212 120.569 119.800 -0.738 0.000 2.436 141 Q HA -0.040 4.288 4.340 -0.020 0.000 0.209 141 Q C 0.402 176.387 176.000 -0.025 0.000 0.965 141 Q CA 0.921 56.383 55.803 -0.568 0.000 0.910 141 Q CB 0.157 28.539 28.738 -0.595 0.000 0.980 141 Q HN 0.602 nan 8.270 nan 0.000 0.491 142 D N 0.109 120.483 120.400 -0.043 0.000 2.363 142 D HA 0.070 4.698 4.640 -0.020 0.000 0.226 142 D C 0.083 176.436 176.300 0.088 0.000 1.020 142 D CA 0.583 54.598 54.000 0.026 0.000 0.892 142 D CB 0.319 41.094 40.800 -0.041 0.000 0.900 142 D HN 0.204 nan 8.370 nan 0.000 0.531 143 I N 2.488 123.173 120.570 0.191 0.000 2.362 143 I HA 0.223 4.381 4.170 -0.020 0.000 0.289 143 I C -2.234 174.205 176.117 0.536 0.000 0.994 143 I CA -2.304 59.128 61.300 0.220 0.000 1.158 143 I CB 2.133 40.213 38.000 0.133 0.000 1.315 143 I HN -0.300 nan 8.210 nan 0.000 0.451 144 P HA 0.098 nan 4.420 nan 0.000 0.274 144 P C 0.416 177.764 177.300 0.079 0.000 1.231 144 P CA -0.255 63.007 63.100 0.271 0.000 0.790 144 P CB 1.193 32.927 31.700 0.056 0.000 0.951 145 A N 3.862 126.313 122.820 -0.615 0.000 1.986 145 A HA -0.243 4.066 4.320 -0.020 0.000 0.220 145 A C 2.141 179.284 177.584 -0.736 0.000 1.171 145 A CA 1.873 53.356 52.037 -0.923 0.000 0.640 145 A CB -1.061 17.021 19.000 -1.531 0.000 0.811 145 A HN 0.700 nan 8.150 nan 0.000 0.451 146 R N -1.937 118.116 120.500 -0.745 0.000 2.152 146 R HA -0.182 4.146 4.340 -0.020 0.000 0.232 146 R C 1.995 177.980 176.300 -0.525 0.000 1.117 146 R CA 1.512 57.032 56.100 -0.966 0.000 0.981 146 R CB -0.661 29.183 30.300 -0.760 0.000 0.870 146 R HN 0.672 nan 8.270 nan 0.000 0.451 147 W N 1.492 122.576 121.300 -0.360 0.000 2.379 147 W HA -0.100 4.553 4.660 -0.013 0.000 0.307 147 W C 1.773 178.140 176.519 -0.253 0.000 1.200 147 W CA 0.779 57.998 57.345 -0.210 0.000 1.297 147 W CB -0.327 29.084 29.460 -0.082 0.000 1.140 147 W HN 0.058 nan 8.180 nan 0.000 0.507 148 L N 0.749 121.845 121.223 -0.213 0.000 1.956 148 L HA -0.231 4.097 4.340 -0.020 0.000 0.216 148 L C 2.606 179.095 176.870 -0.635 0.000 1.073 148 L CA 2.418 56.954 54.840 -0.508 0.000 0.762 148 L CB -1.794 40.013 42.059 -0.420 0.000 0.889 148 L HN 0.088 nan 8.230 nan 0.000 0.433 149 V N -1.393 118.125 119.914 -0.659 0.000 2.332 149 V HA -0.308 3.800 4.120 -0.020 0.000 0.248 149 V C 2.557 178.380 176.094 -0.451 0.000 1.055 149 V CA 2.261 64.185 62.300 -0.628 0.000 1.038 149 V CB -0.171 31.029 31.823 -1.037 0.000 0.651 149 V HN 0.639 nan 8.190 nan 0.000 0.450 150 S N -0.354 115.055 115.700 -0.486 0.000 2.359 150 S HA -0.209 4.249 4.470 -0.020 0.000 0.224 150 S C 1.913 176.327 174.600 -0.309 0.000 1.035 150 S CA 2.075 60.114 58.200 -0.269 0.000 1.018 150 S CB -0.535 62.536 63.200 -0.214 0.000 0.876 150 S HN 0.795 nan 8.310 nan 0.000 0.448 151 T N 2.531 116.735 114.554 -0.584 0.000 2.684 151 T HA -0.029 4.309 4.350 -0.020 0.000 0.267 151 T C 1.742 176.269 174.700 -0.289 0.000 1.036 151 T CA 1.263 63.054 62.100 -0.515 0.000 1.148 151 T CB -0.435 67.917 68.868 -0.860 0.000 0.863 151 T HN 0.312 nan 8.240 nan 0.000 0.436 152 I N 1.274 121.667 120.570 -0.296 0.000 2.179 152 I HA -0.180 3.978 4.170 -0.020 0.000 0.242 152 I C 2.360 178.384 176.117 -0.154 0.000 1.088 152 I CA 1.250 62.439 61.300 -0.186 0.000 1.357 152 I CB -0.392 37.526 38.000 -0.137 0.000 1.051 152 I HN 0.121 nan 8.210 nan 0.000 0.409 153 D N -0.313 120.051 120.400 -0.060 0.000 2.149 153 D HA -0.251 4.377 4.640 -0.020 0.000 0.198 153 D C 1.972 178.251 176.300 -0.034 0.000 0.990 153 D CA 1.555 55.592 54.000 0.062 0.000 0.839 153 D CB -0.378 40.526 40.800 0.173 0.000 0.948 153 D HN 0.495 nan 8.370 nan 0.000 0.460 154 H N 0.532 119.517 119.070 -0.142 0.000 2.357 154 H HA 0.095 4.639 4.556 -0.020 0.000 0.301 154 H C 1.842 177.022 175.328 -0.248 0.000 1.082 154 H CA 2.016 57.967 56.048 -0.162 0.000 1.342 154 H CB -0.133 29.521 29.762 -0.181 0.000 1.389 154 H HN 0.023 nan 8.280 nan 0.000 0.511 155 A N 0.391 122.907 122.820 -0.506 0.000 1.877 155 A HA -0.065 4.243 4.320 -0.020 0.000 0.216 155 A C 2.366 179.787 177.584 -0.272 0.000 1.186 155 A CA 1.632 53.339 52.037 -0.550 0.000 0.620 155 A CB -0.830 18.014 19.000 -0.260 0.000 0.822 155 A HN 0.426 nan 8.150 nan 0.000 0.443 156 L N -0.426 120.597 121.223 -0.333 0.000 2.072 156 L HA 0.040 4.368 4.340 -0.020 0.000 0.205 156 L C 2.787 179.483 176.870 -0.291 0.000 1.079 156 L CA 1.461 56.065 54.840 -0.393 0.000 0.752 156 L CB -0.801 40.771 42.059 -0.811 0.000 0.906 156 L HN 0.413 nan 8.230 nan 0.000 0.436 157 G N -1.080 107.564 108.800 -0.260 0.000 2.469 157 G HA2 -0.312 3.636 3.960 -0.020 0.000 0.219 157 G HA3 -0.312 3.636 3.960 -0.020 0.000 0.219 157 G C 1.438 176.323 174.900 -0.025 0.000 1.150 157 G CA 1.507 46.586 45.100 -0.034 0.000 0.763 157 G HN 0.446 nan 8.290 nan 0.000 0.561 158 T N -1.965 112.538 114.554 -0.085 0.000 3.186 158 T HA 0.445 4.783 4.350 -0.020 0.000 0.257 158 T C 0.533 175.305 174.700 0.119 0.000 1.029 158 T CA -0.547 61.558 62.100 0.008 0.000 0.916 158 T CB 0.233 69.070 68.868 -0.052 0.000 1.041 158 T HN 0.052 nan 8.240 nan 0.000 0.562 159 L N 2.536 123.809 121.223 0.082 0.000 2.363 159 L HA 0.382 4.710 4.340 -0.020 0.000 0.286 159 L C 1.188 178.083 176.870 0.041 0.000 1.106 159 L CA -0.177 54.702 54.840 0.065 0.000 0.859 159 L CB 0.096 42.172 42.059 0.029 0.000 1.223 159 L HN 0.344 nan 8.230 nan 0.000 0.446 160 H N 4.312 123.366 119.070 -0.026 0.000 2.276 160 H HA 0.356 4.900 4.556 -0.020 0.000 0.301 160 H C 0.381 175.695 175.328 -0.024 0.000 1.073 160 H CA 1.362 57.399 56.048 -0.018 0.000 1.311 160 H CB 0.424 30.174 29.762 -0.020 0.000 1.379 160 H HN 0.688 nan 8.280 nan 0.000 0.494 161 A N -1.491 121.391 122.820 0.103 0.000 2.593 161 A HA 0.607 4.915 4.320 -0.020 0.000 0.290 161 A C -0.002 177.584 177.584 0.004 0.000 1.126 161 A CA -0.236 51.823 52.037 0.037 0.000 0.695 161 A CB 0.837 19.906 19.000 0.115 0.000 1.290 161 A HN 1.033 nan 8.150 nan 0.000 0.414 162 G N -1.276 107.519 108.800 -0.008 0.000 2.728 162 G HA2 0.445 4.393 3.960 -0.020 0.000 0.294 162 G HA3 0.445 4.393 3.960 -0.020 0.000 0.294 162 G C 0.421 175.302 174.900 -0.031 0.000 1.342 162 G CA -0.023 45.065 45.100 -0.020 0.000 0.866 162 G HN 2.196 nan 8.290 nan 0.000 0.534 163 G N -1.777 107.006 108.800 -0.028 0.000 2.504 163 G HA2 0.702 4.651 3.960 -0.020 0.000 0.288 163 G HA3 0.702 4.651 3.960 -0.020 0.000 0.288 163 G C -0.510 174.398 174.900 0.013 0.000 1.182 163 G CA 0.172 45.260 45.100 -0.020 0.000 0.894 163 G HN 1.474 nan 8.290 nan 0.000 0.521 164 V N 0.903 120.848 119.914 0.051 0.000 2.531 164 V HA 0.278 4.386 4.120 -0.020 0.000 0.301 164 V C -0.486 175.722 176.094 0.190 0.000 1.034 164 V CA -0.776 61.593 62.300 0.115 0.000 0.865 164 V CB 1.495 33.376 31.823 0.097 0.000 0.995 164 V HN 0.878 nan 8.190 nan 0.000 0.424 165 H N 6.002 125.144 119.070 0.119 0.000 2.640 165 H HA 0.549 5.094 4.556 -0.019 0.000 0.297 165 H C -0.959 174.447 175.328 0.130 0.000 1.073 165 H CA -0.733 55.414 56.048 0.166 0.000 1.305 165 H CB 0.831 30.761 29.762 0.279 0.000 1.404 165 H HN 0.567 nan 8.280 nan 0.000 0.459 166 I N 4.960 125.606 120.570 0.127 0.000 2.359 166 I HA 0.076 4.234 4.170 -0.020 0.000 0.284 166 I C -0.174 175.921 176.117 -0.035 0.000 1.018 166 I CA -0.644 60.649 61.300 -0.012 0.000 1.173 166 I CB 1.150 39.181 38.000 0.053 0.000 1.326 166 I HN 0.567 nan 8.210 nan 0.000 0.462 167 N N 5.491 124.070 118.700 -0.202 0.000 2.444 167 N HA 0.307 5.035 4.740 -0.020 0.000 0.271 167 N C -1.128 174.361 175.510 -0.035 0.000 1.069 167 N CA -0.210 52.774 53.050 -0.111 0.000 0.965 167 N CB 0.784 39.149 38.487 -0.203 0.000 1.092 167 N HN 0.564 nan 8.380 nan 0.000 0.476 168 C N 6.060 125.353 119.300 -0.012 0.000 2.317 168 C HA 0.437 4.885 4.460 -0.020 0.000 0.306 168 C C -2.319 172.452 174.990 -0.365 0.000 1.087 168 C CA -1.603 57.324 59.018 -0.151 0.000 1.529 168 C CB 0.209 27.955 27.740 0.009 0.000 1.880 168 C HN 0.651 nan 8.230 nan 0.000 0.417 169 P HA 0.254 nan 4.420 nan 0.000 0.268 169 P C -0.797 176.046 177.300 -0.762 0.000 1.204 169 P CA 0.395 63.268 63.100 -0.378 0.000 0.768 169 P CB 0.190 31.732 31.700 -0.264 0.000 0.842 170 F N 1.392 121.296 119.950 -0.076 0.000 2.562 170 F HA 0.545 5.060 4.527 -0.021 0.000 0.319 170 F C 0.483 176.224 175.800 -0.097 0.000 1.154 170 F CA -1.022 56.911 58.000 -0.110 0.000 0.931 170 F CB 1.438 40.385 39.000 -0.088 0.000 1.198 170 F HN 0.209 nan 8.300 nan 0.000 0.444 171 A N 2.680 125.527 122.820 0.045 0.000 2.371 171 A HA 0.471 4.779 4.320 -0.020 0.000 0.257 171 A C -0.106 177.490 177.584 0.020 0.000 1.089 171 A CA -0.490 51.551 52.037 0.007 0.000 0.794 171 A CB 0.318 19.296 19.000 -0.037 0.000 1.029 171 A HN 0.792 nan 8.150 nan 0.000 0.488 172 E N 1.872 122.072 120.200 0.001 0.000 2.156 172 E HA 0.620 4.958 4.350 -0.020 0.000 0.279 172 E C -2.892 173.700 176.600 -0.014 0.000 0.965 172 E CA -1.672 54.718 56.400 -0.017 0.000 0.789 172 E CB 1.162 30.858 29.700 -0.008 0.000 1.098 172 E HN 0.299 nan 8.360 nan 0.000 0.397 173 P HA 0.300 nan 4.420 nan 0.000 0.305 173 P C -0.196 177.044 177.300 -0.099 0.000 1.475 173 P CA -0.631 62.459 63.100 -0.018 0.000 1.082 173 P CB 1.426 33.131 31.700 0.008 0.000 1.029 174 L N 1.277 122.357 121.223 -0.238 0.000 2.558 174 L HA 0.180 4.508 4.340 -0.020 0.000 0.225 174 L C 0.007 176.460 176.870 -0.695 0.000 1.128 174 L CA 0.596 55.104 54.840 -0.553 0.000 0.868 174 L CB -0.392 41.168 42.059 -0.831 0.000 1.006 174 L HN 0.375 nan 8.230 nan 0.000 0.454 175 Y N -0.739 119.550 120.300 -0.018 0.000 2.662 175 Y HA 0.774 5.313 4.550 -0.019 0.000 0.335 175 Y C 0.758 176.654 175.900 -0.006 0.000 1.066 175 Y CA -0.645 57.446 58.100 -0.014 0.000 1.116 175 Y CB 1.497 39.950 38.460 -0.011 0.000 1.308 175 Y HN -0.072 nan 8.280 nan 0.000 0.502 176 G N 0.505 109.412 108.800 0.178 0.000 2.373 176 G HA2 -0.082 3.866 3.960 -0.020 0.000 0.634 176 G HA3 -0.082 3.866 3.960 -0.020 0.000 0.634 176 G C -0.971 173.967 174.900 0.064 0.000 1.267 176 G CA -1.015 44.142 45.100 0.096 0.000 1.008 176 G HN 0.660 nan 8.290 nan 0.000 0.497 180 D N -0.663 119.767 120.400 0.050 0.000 3.071 180 D HA 0.216 4.844 4.640 -0.020 0.000 0.259 180 D C -0.359 175.997 176.300 0.093 0.000 1.331 180 D CA -0.313 53.726 54.000 0.065 0.000 0.861 180 D CB -0.434 40.395 40.800 0.048 0.000 1.059 180 D HN 0.321 nan 8.370 nan 0.000 0.486 181 T N 0.041 114.658 114.554 0.105 0.000 2.888 181 T HA 0.428 4.767 4.350 -0.020 0.000 0.301 181 T C 1.588 176.436 174.700 0.247 0.000 1.001 181 T CA 0.551 62.736 62.100 0.141 0.000 1.147 181 T CB 0.995 69.937 68.868 0.123 0.000 0.931 181 T HN 0.551 nan 8.240 nan 0.000 0.541 182 G N 2.302 111.288 108.800 0.311 0.000 2.199 182 G HA2 -0.266 3.682 3.960 -0.020 0.000 0.254 182 G HA3 -0.266 3.682 3.960 -0.020 0.000 0.254 182 G C 0.880 176.061 174.900 0.468 0.000 0.982 182 G CA 0.289 45.708 45.100 0.531 0.000 0.632 182 G HN 0.676 nan 8.290 nan 0.000 0.529 183 L N 0.707 122.092 121.223 0.271 0.000 2.042 183 L HA -0.062 4.266 4.340 -0.020 0.000 0.210 183 L C 2.801 179.783 176.870 0.186 0.000 1.076 183 L CA 2.574 57.518 54.840 0.173 0.000 0.749 183 L CB -0.458 41.658 42.059 0.094 0.000 0.893 183 L HN 0.429 nan 8.230 nan 0.000 0.432 184 S N -1.094 114.734 115.700 0.213 0.000 2.368 184 S HA -0.255 4.203 4.470 -0.020 0.000 0.224 184 S C 1.592 176.351 174.600 0.266 0.000 1.029 184 S CA 1.363 59.681 58.200 0.196 0.000 0.988 184 S CB -0.443 62.861 63.200 0.173 0.000 0.838 184 S HN 0.636 nan 8.310 nan 0.000 0.462 185 W N 1.971 123.372 121.300 0.168 0.000 2.358 185 W HA -0.095 4.554 4.660 -0.019 0.000 0.303 185 W C 2.256 178.901 176.519 0.209 0.000 1.208 185 W CA 1.557 59.026 57.345 0.206 0.000 1.274 185 W CB -0.518 29.142 29.460 0.334 0.000 1.138 185 W HN 0.337 nan 8.180 nan 0.000 0.515 186 Q N -0.168 119.824 119.800 0.320 0.000 2.124 186 Q HA -0.273 4.055 4.340 -0.020 0.000 0.202 186 Q C 2.216 178.361 176.000 0.242 0.000 0.977 186 Q CA 1.927 57.846 55.803 0.195 0.000 0.850 186 Q CB -0.369 28.541 28.738 0.286 0.000 0.901 186 Q HN 0.505 nan 8.270 nan 0.000 0.429 187 Q N -0.189 119.711 119.800 0.167 0.000 2.311 187 Q HA -0.032 4.296 4.340 -0.020 0.000 0.203 187 Q C 1.693 177.788 176.000 0.159 0.000 0.954 187 Q CA 0.321 56.233 55.803 0.181 0.000 0.885 187 Q CB 0.151 28.951 28.738 0.103 0.000 0.963 187 Q HN 0.242 nan 8.270 nan 0.000 0.471 188 R N 0.329 120.865 120.500 0.059 0.000 2.261 188 R HA -0.125 4.204 4.340 -0.020 0.000 0.236 188 R C 1.707 178.018 176.300 0.018 0.000 1.141 188 R CA 0.761 56.873 56.100 0.019 0.000 1.001 188 R CB -0.258 30.012 30.300 -0.050 0.000 0.866 188 R HN 0.309 nan 8.270 nan 0.000 0.468 189 L N -0.262 120.959 121.223 -0.004 0.000 2.478 189 L HA 0.011 4.339 4.340 -0.020 0.000 0.223 189 L C 1.561 178.645 176.870 0.357 0.000 1.140 189 L CA 0.514 55.343 54.840 -0.018 0.000 0.842 189 L CB -0.611 41.245 42.059 -0.338 0.000 0.953 189 L HN 0.389 nan 8.230 nan 0.000 0.452 190 G N 1.819 110.828 108.800 0.349 0.000 2.561 190 G HA2 -0.431 3.517 3.960 -0.020 0.000 0.289 190 G HA3 -0.431 3.517 3.960 -0.020 0.000 0.289 190 G C 0.315 175.459 174.900 0.408 0.000 1.169 190 G CA 0.458 45.756 45.100 0.329 0.000 0.980 190 G HN 0.514 nan 8.290 nan 0.000 0.550 191 D N -0.141 120.443 120.400 0.307 0.000 2.342 191 D HA 0.157 4.785 4.640 -0.020 0.000 0.221 191 D C 1.436 177.883 176.300 0.245 0.000 1.101 191 D CA 0.699 54.852 54.000 0.255 0.000 0.837 191 D CB -0.558 40.328 40.800 0.144 0.000 0.938 191 D HN 0.619 nan 8.370 nan 0.000 0.508 192 W N 0.493 121.863 121.300 0.116 0.000 2.364 192 W HA -0.114 4.535 4.660 -0.018 0.000 0.281 192 W C 0.875 177.372 176.519 -0.036 0.000 1.219 192 W CA 0.966 58.332 57.345 0.035 0.000 1.220 192 W CB -0.338 29.204 29.460 0.136 0.000 1.127 192 W HN 0.022 nan 8.180 nan 0.000 0.556 193 W N -0.083 121.282 121.300 0.109 0.000 2.425 193 W HA -0.124 4.523 4.660 -0.022 0.000 0.277 193 W C 1.978 178.369 176.519 -0.214 0.000 1.231 193 W CA 1.079 58.355 57.345 -0.116 0.000 1.248 193 W CB -0.578 28.922 29.460 0.066 0.000 1.117 193 W HN -0.114 nan 8.180 nan 0.000 0.568 194 Q N -0.386 119.452 119.800 0.064 0.000 2.247 194 Q HA 0.054 4.382 4.340 -0.020 0.000 0.204 194 Q C -0.053 175.886 176.000 -0.100 0.000 0.872 194 Q CA 0.312 56.109 55.803 -0.009 0.000 0.951 194 Q CB 0.083 28.842 28.738 0.035 0.000 1.099 194 Q HN -0.045 nan 8.270 nan 0.000 0.501 195 D N -0.081 120.195 120.400 -0.208 0.000 2.340 195 D HA 0.049 4.677 4.640 -0.020 0.000 0.251 195 D C 0.103 176.224 176.300 -0.297 0.000 1.080 195 D CA -0.241 53.623 54.000 -0.226 0.000 0.971 195 D CB 1.159 41.825 40.800 -0.224 0.000 1.137 195 D HN 0.052 nan 8.370 nan 0.000 0.475 196 D N -0.115 120.154 120.400 -0.217 0.000 2.433 196 D HA 0.093 4.721 4.640 -0.020 0.000 0.211 196 D C -0.022 176.160 176.300 -0.197 0.000 1.114 196 D CA 0.010 53.886 54.000 -0.207 0.000 0.837 196 D CB 0.227 40.941 40.800 -0.142 0.000 0.984 196 D HN 0.091 nan 8.370 nan 0.000 0.505 197 K N 0.348 120.635 120.400 -0.187 0.000 2.258 197 K HA 0.556 4.864 4.320 -0.020 0.000 0.236 197 K C -2.733 173.832 176.600 -0.058 0.000 1.008 197 K CA -2.174 54.040 56.287 -0.121 0.000 0.869 197 K CB 1.584 34.043 32.500 -0.068 0.000 1.171 197 K HN -0.128 nan 8.250 nan 0.000 0.447 198 P HA -0.033 nan 4.420 nan 0.000 0.276 198 P C 0.027 177.537 177.300 0.350 0.000 1.244 198 P CA -0.419 62.784 63.100 0.173 0.000 0.801 198 P CB 0.485 32.193 31.700 0.014 0.000 1.006 199 W N 3.419 124.865 121.300 0.245 0.000 2.333 199 W HA -0.060 4.589 4.660 -0.018 0.000 0.316 199 W C -0.386 176.102 176.519 -0.052 0.000 1.215 199 W CA 1.361 58.661 57.345 -0.075 0.000 1.278 199 W CB -0.114 29.016 29.460 -0.550 0.000 1.154 199 W HN 0.167 nan 8.180 nan 0.000 0.486 200 L N 3.666 124.994 121.223 0.175 0.000 2.316 200 L HA 0.364 4.693 4.340 -0.020 0.000 0.280 200 L C -0.220 176.702 176.870 0.087 0.000 1.006 200 L CA -0.449 54.431 54.840 0.067 0.000 0.836 200 L CB 1.086 43.223 42.059 0.131 0.000 1.221 200 L HN 0.004 nan 8.230 nan 0.000 0.418 201 R N 3.855 124.377 120.500 0.036 0.000 2.196 201 R HA 0.322 4.650 4.340 -0.020 0.000 0.340 201 R C -0.584 175.748 176.300 0.055 0.000 1.043 201 R CA -0.390 55.743 56.100 0.056 0.000 0.883 201 R CB 1.152 31.465 30.300 0.022 0.000 1.078 201 R HN 0.608 nan 8.270 nan 0.000 0.462 202 E N 2.922 123.172 120.200 0.083 0.000 2.518 202 E HA 0.361 4.699 4.350 -0.020 0.000 0.240 202 E C -1.346 175.297 176.600 0.072 0.000 0.996 202 E CA -0.462 55.983 56.400 0.076 0.000 0.768 202 E CB 1.353 31.115 29.700 0.104 0.000 1.329 202 E HN 0.773 nan 8.360 nan 0.000 0.408 203 A N 5.341 128.198 122.820 0.061 0.000 3.159 203 A HA 0.376 4.684 4.320 -0.020 0.000 0.330 203 A C -2.347 175.269 177.584 0.054 0.000 1.032 203 A CA -1.037 51.035 52.037 0.059 0.000 0.841 203 A CB 0.198 19.234 19.000 0.060 0.000 1.093 203 A HN 0.421 nan 8.150 nan 0.000 0.478 204 P HA 0.323 nan 4.420 nan 0.000 0.276 204 P C -0.484 176.859 177.300 0.072 0.000 1.230 204 P CA -0.123 63.013 63.100 0.060 0.000 0.776 204 P CB 0.793 32.531 31.700 0.062 0.000 0.888 205 R N 1.582 122.122 120.500 0.067 0.000 2.410 205 R HA 0.437 4.765 4.340 -0.020 0.000 0.288 205 R C -0.306 176.049 176.300 0.092 0.000 1.051 205 R CA -0.858 55.292 56.100 0.084 0.000 1.021 205 R CB 0.611 30.949 30.300 0.064 0.000 1.032 205 R HN 0.368 nan 8.270 nan 0.000 0.481 206 L N 2.465 123.769 121.223 0.134 0.000 2.316 206 L HA 0.383 4.711 4.340 -0.020 0.000 0.280 206 L C -0.911 176.008 176.870 0.082 0.000 1.006 206 L CA 0.130 55.016 54.840 0.077 0.000 0.836 206 L CB 1.159 43.218 42.059 0.001 0.000 1.221 206 L HN 0.698 nan 8.230 nan 0.000 0.418 207 E N 2.646 122.880 120.200 0.056 0.000 2.354 207 E HA 0.475 4.813 4.350 -0.020 0.000 0.283 207 E C -1.320 175.317 176.600 0.062 0.000 0.938 207 E CA -0.531 55.912 56.400 0.072 0.000 0.777 207 E CB 1.668 31.420 29.700 0.086 0.000 1.222 207 E HN 0.613 nan 8.360 nan 0.000 0.423 208 S N 2.054 117.801 115.700 0.078 0.000 2.580 208 S HA 0.163 4.621 4.470 -0.020 0.000 0.274 208 S C -0.063 174.604 174.600 0.112 0.000 1.329 208 S CA -0.539 57.709 58.200 0.081 0.000 1.036 208 S CB 1.019 64.269 63.200 0.084 0.000 0.919 208 S HN 0.447 nan 8.310 nan 0.000 0.515 209 E N 1.116 121.371 120.200 0.091 0.000 2.369 209 E HA 0.105 4.443 4.350 -0.020 0.000 0.255 209 E C 0.139 176.822 176.600 0.139 0.000 1.172 209 E CA -0.458 55.996 56.400 0.091 0.000 0.932 209 E CB 0.460 30.201 29.700 0.069 0.000 1.040 209 E HN 0.356 nan 8.360 nan 0.000 0.454 210 K N 1.887 122.342 120.400 0.092 0.000 2.472 210 K HA -0.076 4.232 4.320 -0.020 0.000 0.280 210 K C -0.563 176.190 176.600 0.256 0.000 1.028 210 K CA -0.037 56.303 56.287 0.088 0.000 1.045 210 K CB 0.453 32.920 32.500 -0.054 0.000 0.902 210 K HN 0.316 nan 8.250 nan 0.000 0.478 211 Q N 4.109 124.236 119.800 0.544 0.000 2.286 211 Q HA 0.008 4.336 4.340 -0.020 0.000 0.265 211 Q C 0.602 176.889 176.000 0.478 0.000 1.080 211 Q CA 0.455 56.509 55.803 0.417 0.000 0.906 211 Q CB 0.731 29.684 28.738 0.358 0.000 1.227 211 Q HN 0.518 nan 8.270 nan 0.000 0.409 212 R N 1.509 122.230 120.500 0.369 0.000 2.276 212 R HA -0.081 4.247 4.340 -0.020 0.000 0.203 212 R C 0.411 177.034 176.300 0.539 0.000 1.017 212 R CA 0.925 57.249 56.100 0.373 0.000 1.010 212 R CB 0.501 30.951 30.300 0.250 0.000 0.900 212 R HN 0.566 nan 8.270 nan 0.000 0.469 213 D N -0.879 119.858 120.400 0.562 0.000 2.402 213 D HA -0.129 4.499 4.640 -0.020 0.000 0.216 213 D C 1.242 177.852 176.300 0.518 0.000 1.128 213 D CA -0.368 53.917 54.000 0.476 0.000 0.833 213 D CB -0.655 40.362 40.800 0.362 0.000 0.971 213 D HN 0.275 nan 8.370 nan 0.000 0.503 214 W N 1.729 123.359 121.300 0.550 0.000 2.325 214 W HA -0.298 4.351 4.660 -0.020 0.000 0.299 214 W C 1.266 177.981 176.519 0.326 0.000 1.215 214 W CA 1.469 59.140 57.345 0.542 0.000 1.244 214 W CB -0.288 29.508 29.460 0.560 0.000 1.140 214 W HN 0.057 nan 8.180 nan 0.000 0.523 215 F N -0.200 119.838 119.950 0.147 0.000 2.192 215 F HA -0.192 4.323 4.527 -0.020 0.000 0.301 215 F C 1.973 177.708 175.800 -0.108 0.000 1.079 215 F CA 1.683 59.642 58.000 -0.067 0.000 1.303 215 F CB -1.895 37.130 39.000 0.042 0.000 1.024 215 F HN -0.059 nan 8.300 nan 0.000 0.494 216 F N -0.411 118.829 119.950 -1.182 0.000 2.179 216 F HA 0.061 4.576 4.527 -0.020 0.000 0.292 216 F C 1.877 177.270 175.800 -0.677 0.000 1.089 216 F CA 0.915 58.300 58.000 -1.026 0.000 1.295 216 F CB -0.666 37.585 39.000 -1.249 0.000 1.041 216 F HN -0.066 nan 8.300 nan 0.000 0.487 217 W N 1.956 123.107 121.300 -0.249 0.000 2.388 217 W HA -0.083 4.565 4.660 -0.020 0.000 0.294 217 W C 2.617 178.885 176.519 -0.418 0.000 1.212 217 W CA 1.278 58.473 57.345 -0.250 0.000 1.271 217 W CB -0.395 29.090 29.460 0.041 0.000 1.126 217 W HN -0.047 nan 8.180 nan 0.000 0.535 218 R N 1.123 121.219 120.500 -0.674 0.000 2.293 218 R HA -0.150 4.178 4.340 -0.020 0.000 0.219 218 R C 1.065 177.110 176.300 -0.424 0.000 1.091 218 R CA 1.477 56.981 56.100 -0.993 0.000 1.004 218 R CB -0.642 28.577 30.300 -1.801 0.000 0.865 218 R HN 0.327 nan 8.270 nan 0.000 0.469 219 Q N 0.236 119.827 119.800 -0.348 0.000 2.319 219 Q HA 0.144 4.472 4.340 -0.020 0.000 0.202 219 Q C -0.115 175.780 176.000 -0.176 0.000 0.896 219 Q CA -0.055 55.597 55.803 -0.251 0.000 0.942 219 Q CB 0.629 29.174 28.738 -0.322 0.000 1.083 219 Q HN 0.127 nan 8.270 nan 0.000 0.510 220 K N 0.975 121.284 120.400 -0.153 0.000 2.118 220 K HA 0.205 4.514 4.320 -0.020 0.000 0.240 220 K C 0.043 176.466 176.600 -0.294 0.000 1.035 220 K CA -0.237 55.900 56.287 -0.250 0.000 0.899 220 K CB 0.394 32.745 32.500 -0.248 0.000 1.085 220 K HN 0.011 nan 8.250 nan 0.000 0.498 221 R N 0.673 120.801 120.500 -0.619 0.000 2.351 221 R HA 0.167 4.495 4.340 -0.020 0.000 0.321 221 R C 0.464 176.004 176.300 -1.267 0.000 1.182 221 R CA -0.047 55.302 56.100 -1.250 0.000 1.011 221 R CB -0.073 29.255 30.300 -1.621 0.000 1.048 221 R HN 0.615 nan 8.270 nan 0.000 0.490 222 G N 1.124 108.868 108.800 -1.759 0.000 2.537 222 G HA2 0.539 4.487 3.960 -0.020 0.000 0.323 222 G HA3 0.539 4.487 3.960 -0.020 0.000 0.323 222 G C -0.959 173.441 174.900 -0.833 0.000 1.207 222 G CA -0.435 43.486 45.100 -1.964 0.000 0.976 222 G HN 0.280 nan 8.290 nan 0.000 0.487 223 V N -0.030 119.680 119.914 -0.340 0.000 2.680 223 V HA 0.467 4.576 4.120 -0.020 0.000 0.309 223 V C -0.285 175.954 176.094 0.242 0.000 1.052 223 V CA -0.725 61.650 62.300 0.124 0.000 0.908 223 V CB 1.872 33.836 31.823 0.235 0.000 1.001 223 V HN 0.519 nan 8.190 nan 0.000 0.431 224 V N 4.873 125.011 119.914 0.374 0.000 2.370 224 V HA 0.427 4.536 4.120 -0.020 0.000 0.279 224 V C -0.155 176.089 176.094 0.249 0.000 1.029 224 V CA -0.472 62.055 62.300 0.378 0.000 0.870 224 V CB 1.593 33.709 31.823 0.488 0.000 0.984 224 V HN 0.617 nan 8.190 nan 0.000 0.451 225 V N 4.213 124.248 119.914 0.202 0.000 2.398 225 V HA 0.783 4.891 4.120 -0.020 0.000 0.286 225 V C 0.359 176.529 176.094 0.126 0.000 1.026 225 V CA -0.500 61.904 62.300 0.174 0.000 0.868 225 V CB 1.604 33.562 31.823 0.226 0.000 0.982 225 V HN 0.951 nan 8.190 nan 0.000 0.443 226 A N 3.742 126.623 122.820 0.102 0.000 2.291 226 A HA 0.858 5.166 4.320 -0.020 0.000 0.311 226 A C 0.418 178.027 177.584 0.041 0.000 1.224 226 A CA 0.084 52.158 52.037 0.062 0.000 0.821 226 A CB 1.094 20.131 19.000 0.061 0.000 1.172 226 A HN 0.961 nan 8.150 nan 0.000 0.494 227 G N 0.726 109.542 108.800 0.025 0.000 2.773 227 G HA2 0.441 4.389 3.960 -0.020 0.000 0.186 227 G HA3 0.441 4.389 3.960 -0.020 0.000 0.186 227 G C 0.517 175.412 174.900 -0.008 0.000 1.411 227 G CA -0.654 44.453 45.100 0.011 0.000 1.054 227 G HN 0.891 nan 8.290 nan 0.000 0.579 231 A N 1.574 124.346 122.820 -0.080 0.000 1.908 231 A HA -0.028 4.280 4.320 -0.020 0.000 0.218 231 A C 1.896 179.456 177.584 -0.041 0.000 1.181 231 A CA 1.847 53.838 52.037 -0.077 0.000 0.627 231 A CB -0.910 18.028 19.000 -0.103 0.000 0.818 231 A HN 0.831 nan 8.150 nan 0.000 0.445 232 E N 0.052 120.233 120.200 -0.031 0.000 2.150 232 E HA -0.151 4.187 4.350 -0.020 0.000 0.193 232 E C 1.858 178.450 176.600 -0.014 0.000 0.985 232 E CA 1.142 57.532 56.400 -0.017 0.000 0.814 232 E CB -0.353 29.340 29.700 -0.012 0.000 0.752 232 E HN 0.785 nan 8.360 nan 0.000 0.466 233 E N 0.189 120.376 120.200 -0.021 0.000 2.077 233 E HA -0.116 4.222 4.350 -0.020 0.000 0.193 233 E C 2.138 178.727 176.600 -0.017 0.000 0.989 233 E CA 0.858 57.243 56.400 -0.025 0.000 0.800 233 E CB -0.271 29.408 29.700 -0.034 0.000 0.746 233 E HN 0.285 nan 8.360 nan 0.000 0.452 234 G N 2.021 110.812 108.800 -0.015 0.000 2.553 234 G HA2 -0.353 3.595 3.960 -0.020 0.000 0.218 234 G HA3 -0.353 3.595 3.960 -0.020 0.000 0.218 234 G C 1.448 176.360 174.900 0.020 0.000 1.195 234 G CA 1.229 46.330 45.100 0.001 0.000 0.779 234 G HN 0.155 nan 8.290 nan 0.000 0.577 235 K N 0.331 120.741 120.400 0.016 0.000 2.063 235 K HA -0.097 4.211 4.320 -0.020 0.000 0.208 235 K C 2.632 179.259 176.600 0.045 0.000 1.048 235 K CA 1.542 57.845 56.287 0.028 0.000 0.928 235 K CB -0.143 32.368 32.500 0.019 0.000 0.713 235 K HN 0.227 nan 8.250 nan 0.000 0.442 236 K N 0.353 120.774 120.400 0.035 0.000 2.097 236 K HA -0.094 4.214 4.320 -0.020 0.000 0.206 236 K C 2.011 178.664 176.600 0.089 0.000 1.049 236 K CA 1.043 57.359 56.287 0.049 0.000 0.933 236 K CB -0.056 32.448 32.500 0.006 0.000 0.717 236 K HN -0.076 nan 8.250 nan 0.000 0.442 237 V N 1.236 121.188 119.914 0.063 0.000 2.358 237 V HA -0.248 3.860 4.120 -0.020 0.000 0.246 237 V C 2.287 178.515 176.094 0.223 0.000 1.047 237 V CA 1.967 64.341 62.300 0.125 0.000 1.035 237 V CB -0.676 31.186 31.823 0.065 0.000 0.658 237 V HN 0.370 nan 8.190 nan 0.000 0.452 238 A N -0.004 122.902 122.820 0.143 0.000 1.865 238 A HA -0.211 4.097 4.320 -0.020 0.000 0.217 238 A C 2.227 179.897 177.584 0.144 0.000 1.191 238 A CA 2.073 54.186 52.037 0.128 0.000 0.623 238 A CB -0.640 18.407 19.000 0.078 0.000 0.826 238 A HN 0.489 nan 8.150 nan 0.000 0.444 239 L N -2.827 118.482 121.223 0.142 0.000 2.046 239 L HA -0.215 4.113 4.340 -0.020 0.000 0.208 239 L C 2.565 179.544 176.870 0.181 0.000 1.077 239 L CA 1.816 56.734 54.840 0.131 0.000 0.747 239 L CB -0.534 41.593 42.059 0.113 0.000 0.896 239 L HN 0.769 nan 8.230 nan 0.000 0.432 240 W N 0.738 122.056 121.300 0.030 0.000 2.355 240 W HA -0.204 4.444 4.660 -0.020 0.000 0.309 240 W C 2.570 179.093 176.519 0.006 0.000 1.206 240 W CA 1.893 59.258 57.345 0.033 0.000 1.284 240 W CB -0.159 29.344 29.460 0.071 0.000 1.145 240 W HN 0.108 nan 8.180 nan 0.000 0.502 241 A N 0.094 123.090 122.820 0.293 0.000 1.865 241 A HA -0.337 3.971 4.320 -0.020 0.000 0.217 241 A C 2.043 179.612 177.584 -0.026 0.000 1.191 241 A CA 2.132 54.242 52.037 0.122 0.000 0.623 241 A CB -1.431 17.725 19.000 0.260 0.000 0.826 241 A HN 0.545 nan 8.150 nan 0.000 0.444 242 Q N -0.931 118.882 119.800 0.021 0.000 2.077 242 Q HA -0.210 4.118 4.340 -0.020 0.000 0.206 242 Q C 2.110 178.065 176.000 -0.075 0.000 0.989 242 Q CA 2.392 58.186 55.803 -0.014 0.000 0.853 242 Q CB -0.425 28.320 28.738 0.011 0.000 0.907 242 Q HN 0.613 nan 8.270 nan 0.000 0.418 243 T N 1.584 116.076 114.554 -0.103 0.000 2.665 243 T HA -0.160 4.178 4.350 -0.020 0.000 0.268 243 T C 1.801 176.348 174.700 -0.256 0.000 1.035 243 T CA 1.483 63.491 62.100 -0.154 0.000 1.151 243 T CB -0.223 68.556 68.868 -0.148 0.000 0.862 243 T HN 0.279 nan 8.240 nan 0.000 0.438 244 L N 0.166 121.124 121.223 -0.442 0.000 2.201 244 L HA 0.102 4.430 4.340 -0.020 0.000 0.212 244 L C 2.113 178.766 176.870 -0.362 0.000 1.105 244 L CA 0.822 55.256 54.840 -0.677 0.000 0.775 244 L CB -0.678 40.536 42.059 -1.408 0.000 0.913 244 L HN 0.550 nan 8.230 nan 0.000 0.440 245 G N -1.756 106.955 108.800 -0.148 0.000 2.143 245 G HA2 -0.239 3.709 3.960 -0.020 0.000 0.248 245 G HA3 -0.239 3.709 3.960 -0.020 0.000 0.248 245 G C -0.263 174.799 174.900 0.271 0.000 0.991 245 G CA -0.359 44.768 45.100 0.046 0.000 0.689 245 G HN 0.141 nan 8.290 nan 0.000 0.522 246 W N 1.247 122.574 121.300 0.045 0.000 2.316 246 W HA 0.543 5.191 4.660 -0.020 0.000 0.321 246 W C -1.535 174.979 176.519 -0.008 0.000 1.203 246 W CA -2.935 54.489 57.345 0.132 0.000 1.214 246 W CB 0.176 29.733 29.460 0.161 0.000 1.169 246 W HN 0.029 nan 8.180 nan 0.000 0.561 247 P HA 0.073 nan 4.420 nan 0.000 0.271 247 P C -0.810 176.562 177.300 0.120 0.000 1.216 247 P CA -0.223 62.867 63.100 -0.017 0.000 0.771 247 P CB 1.192 32.776 31.700 -0.194 0.000 0.864 248 L N 4.898 126.184 121.223 0.104 0.000 2.276 248 L HA 0.420 4.748 4.340 -0.020 0.000 0.286 248 L C -0.498 176.457 176.870 0.142 0.000 1.024 248 L CA -0.554 54.375 54.840 0.148 0.000 0.826 248 L CB 0.215 42.361 42.059 0.145 0.000 1.211 248 L HN 0.219 nan 8.230 nan 0.000 0.422 249 I N 5.416 126.072 120.570 0.144 0.000 2.297 249 I HA 0.462 4.620 4.170 -0.020 0.000 0.291 249 I C 0.756 176.928 176.117 0.093 0.000 1.033 249 I CA -0.206 61.167 61.300 0.121 0.000 1.253 249 I CB 1.130 39.159 38.000 0.047 0.000 1.396 249 I HN 0.770 nan 8.210 nan 0.000 0.476 250 G N 3.903 112.749 108.800 0.077 0.000 2.372 250 G HA2 0.351 4.299 3.960 -0.020 0.000 0.323 250 G HA3 0.351 4.299 3.960 -0.020 0.000 0.323 250 G C -0.989 173.926 174.900 0.025 0.000 1.152 250 G CA -0.363 44.770 45.100 0.055 0.000 0.906 250 G HN 0.525 nan 8.290 nan 0.000 0.460 251 D N 0.578 120.987 120.400 0.015 0.000 2.358 251 D HA 0.205 4.833 4.640 -0.020 0.000 0.244 251 D C 1.977 178.269 176.300 -0.014 0.000 1.163 251 D CA -0.246 53.752 54.000 -0.005 0.000 0.945 251 D CB 1.567 42.365 40.800 -0.004 0.000 1.152 251 D HN 0.156 nan 8.370 nan 0.000 0.451 252 V N 0.657 120.555 119.914 -0.027 0.000 2.453 252 V HA -0.218 3.890 4.120 -0.020 0.000 0.252 252 V C 1.865 177.935 176.094 -0.040 0.000 1.068 252 V CA 1.471 63.751 62.300 -0.034 0.000 1.070 252 V CB -1.077 30.719 31.823 -0.045 0.000 0.664 252 V HN 0.506 nan 8.190 nan 0.000 0.461 253 L N 1.389 122.586 121.223 -0.042 0.000 2.591 253 L HA 0.111 4.439 4.340 -0.020 0.000 0.228 253 L C 2.450 179.290 176.870 -0.049 0.000 1.133 253 L CA 0.813 55.620 54.840 -0.055 0.000 0.880 253 L CB -0.382 41.646 42.059 -0.051 0.000 1.033 253 L HN 0.523 nan 8.230 nan 0.000 0.450 254 S N -0.780 114.902 115.700 -0.029 0.000 2.439 254 S HA -0.107 4.351 4.470 -0.020 0.000 0.224 254 S C 1.111 175.699 174.600 -0.021 0.000 1.029 254 S CA 0.103 58.293 58.200 -0.018 0.000 0.946 254 S CB 0.001 63.204 63.200 0.005 0.000 0.797 254 S HN 0.477 nan 8.310 nan 0.000 0.504 255 Q N 0.724 120.512 119.800 -0.019 0.000 2.480 255 Q HA -0.163 4.165 4.340 -0.020 0.000 0.265 255 Q C 1.002 177.006 176.000 0.005 0.000 1.072 255 Q CA 1.090 56.887 55.803 -0.009 0.000 1.018 255 Q CB -2.704 26.016 28.738 -0.030 0.000 1.433 255 Q HN 0.918 nan 8.270 nan 0.000 0.513 256 T N -5.063 109.500 114.554 0.014 0.000 3.055 256 T HA 0.267 4.605 4.350 -0.020 0.000 0.265 256 T C 1.627 176.344 174.700 0.028 0.000 1.111 256 T CA 0.862 62.980 62.100 0.030 0.000 1.118 256 T CB 0.411 69.308 68.868 0.048 0.000 0.909 256 T HN 1.040 nan 8.240 nan 0.000 0.501 257 G N 1.225 110.035 108.800 0.017 0.000 2.194 257 G HA2 -0.294 3.654 3.960 -0.020 0.000 0.236 257 G HA3 -0.294 3.654 3.960 -0.020 0.000 0.236 257 G C 0.165 175.071 174.900 0.010 0.000 0.987 257 G CA -0.071 45.034 45.100 0.008 0.000 0.635 257 G HN 0.679 nan 8.290 nan 0.000 0.520 258 Q N -1.040 118.775 119.800 0.025 0.000 2.439 258 Q HA -0.190 4.138 4.340 -0.020 0.000 0.361 258 Q C -0.961 175.062 176.000 0.038 0.000 1.408 258 Q CA 0.622 56.449 55.803 0.039 0.000 1.052 258 Q CB -0.735 28.023 28.738 0.033 0.000 1.233 258 Q HN 0.572 nan 8.270 nan 0.000 0.347 259 P HA -0.158 nan 4.420 nan 0.000 0.223 259 P C 0.228 177.529 177.300 0.001 0.000 1.144 259 P CA 1.227 64.332 63.100 0.010 0.000 0.783 259 P CB 0.273 31.977 31.700 0.006 0.000 0.771 260 L N 1.705 122.957 121.223 0.048 0.000 2.506 260 L HA 0.379 4.707 4.340 -0.020 0.000 0.247 260 L C -2.189 174.842 176.870 0.267 0.000 1.141 260 L CA -2.197 52.687 54.840 0.074 0.000 0.973 260 L CB 0.943 43.030 42.059 0.046 0.000 1.319 260 L HN -0.135 nan 8.230 nan 0.000 0.455 261 P HA 0.040 nan 4.420 nan 0.000 0.272 261 P C 0.367 177.825 177.300 0.263 0.000 1.240 261 P CA -0.135 63.066 63.100 0.168 0.000 0.791 261 P CB 0.915 32.668 31.700 0.089 0.000 0.978 262 C N -0.762 118.617 119.300 0.131 0.000 4.365 262 C HA -0.105 4.343 4.460 -0.020 0.000 0.299 262 C C 2.070 176.982 174.990 -0.131 0.000 1.409 262 C CA 0.213 59.268 59.018 0.061 0.000 2.007 262 C CB -3.339 24.471 27.740 0.118 0.000 1.264 262 C HN 0.741 nan 8.230 nan 0.000 0.777 263 A N 0.104 122.733 122.820 -0.319 0.000 2.024 263 A HA -0.199 4.109 4.320 -0.020 0.000 0.220 263 A C 1.765 178.844 177.584 -0.842 0.000 1.164 263 A CA 2.393 53.763 52.037 -1.111 0.000 0.643 263 A CB -0.393 18.197 19.000 -0.683 0.000 0.806 263 A HN 0.753 nan 8.150 nan 0.000 0.451 264 D N -0.857 119.300 120.400 -0.404 0.000 2.310 264 D HA -0.042 4.586 4.640 -0.020 0.000 0.212 264 D C 1.717 177.881 176.300 -0.225 0.000 0.965 264 D CA 0.868 54.707 54.000 -0.269 0.000 0.879 264 D CB -0.019 40.690 40.800 -0.151 0.000 0.921 264 D HN 0.516 nan 8.370 nan 0.000 0.510 265 L N -0.269 120.826 121.223 -0.213 0.000 2.187 265 L HA 0.100 4.428 4.340 -0.020 0.000 0.197 265 L C 2.431 179.252 176.870 -0.081 0.000 1.090 265 L CA 0.309 55.086 54.840 -0.104 0.000 0.781 265 L CB -1.022 41.026 42.059 -0.018 0.000 0.956 265 L HN 0.319 nan 8.230 nan 0.000 0.463 266 W N 0.660 121.922 121.300 -0.062 0.000 2.468 266 W HA -0.110 4.538 4.660 -0.020 0.000 0.262 266 W C 1.535 177.999 176.519 -0.092 0.000 1.241 266 W CA 0.358 57.657 57.345 -0.077 0.000 1.232 266 W CB -0.759 28.650 29.460 -0.086 0.000 1.124 266 W HN 0.174 nan 8.180 nan 0.000 0.597 267 L N 1.640 122.616 121.223 -0.413 0.000 2.201 267 L HA 0.026 4.355 4.340 -0.020 0.000 0.212 267 L C 2.740 179.549 176.870 -0.101 0.000 1.105 267 L CA 1.371 56.001 54.840 -0.350 0.000 0.775 267 L CB -1.053 40.667 42.059 -0.565 0.000 0.913 267 L HN 0.101 nan 8.230 nan 0.000 0.440 268 G N -0.858 107.892 108.800 -0.084 0.000 2.848 268 G HA2 -0.153 3.795 3.960 -0.020 0.000 0.208 268 G HA3 -0.153 3.795 3.960 -0.020 0.000 0.208 268 G C 0.559 175.449 174.900 -0.018 0.000 1.152 268 G CA -0.126 44.948 45.100 -0.044 0.000 0.789 268 G HN 0.201 nan 8.290 nan 0.000 0.531 269 N N 0.446 119.161 118.700 0.026 0.000 2.419 269 N HA 0.387 5.116 4.740 -0.020 0.000 0.277 269 N C 1.214 176.755 175.510 0.052 0.000 1.006 269 N CA 0.079 53.150 53.050 0.034 0.000 0.923 269 N CB 1.789 40.316 38.487 0.066 0.000 1.140 269 N HN -0.070 nan 8.380 nan 0.000 0.488 270 A N 4.453 127.293 122.820 0.034 0.000 2.067 270 A HA -0.093 4.215 4.320 -0.020 0.000 0.219 270 A C 1.875 179.491 177.584 0.053 0.000 1.158 270 A CA 1.156 53.221 52.037 0.047 0.000 0.661 270 A CB -0.107 18.916 19.000 0.037 0.000 0.801 270 A HN 0.800 nan 8.150 nan 0.000 0.452 271 K N -0.128 120.296 120.400 0.040 0.000 2.097 271 K HA -0.036 4.272 4.320 -0.020 0.000 0.205 271 K C 2.285 178.901 176.600 0.027 0.000 1.050 271 K CA 1.098 57.401 56.287 0.027 0.000 0.938 271 K CB -0.282 32.221 32.500 0.006 0.000 0.718 271 K HN 0.432 nan 8.250 nan 0.000 0.442 272 A N 1.470 124.320 122.820 0.050 0.000 1.873 272 A HA -0.156 4.152 4.320 -0.020 0.000 0.215 272 A C 2.374 180.010 177.584 0.087 0.000 1.186 272 A CA 2.138 54.217 52.037 0.070 0.000 0.616 272 A CB -1.129 18.021 19.000 0.250 0.000 0.823 272 A HN 0.464 nan 8.150 nan 0.000 0.442 273 T N -1.646 112.970 114.554 0.104 0.000 2.746 273 T HA -0.178 4.160 4.350 -0.020 0.000 0.267 273 T C 2.118 176.922 174.700 0.172 0.000 1.039 273 T CA 2.093 64.279 62.100 0.144 0.000 1.142 273 T CB -0.857 68.111 68.868 0.167 0.000 0.866 273 T HN 0.668 nan 8.240 nan 0.000 0.444 274 S N 1.287 117.062 115.700 0.125 0.000 2.423 274 S HA -0.110 4.349 4.470 -0.020 0.000 0.231 274 S C 2.122 176.801 174.600 0.131 0.000 1.014 274 S CA 1.247 59.519 58.200 0.119 0.000 0.965 274 S CB -0.518 62.733 63.200 0.084 0.000 0.785 274 S HN 0.715 nan 8.310 nan 0.000 0.495 275 E N 0.619 120.888 120.200 0.116 0.000 2.107 275 E HA -0.023 4.315 4.350 -0.020 0.000 0.191 275 E C 1.922 178.686 176.600 0.274 0.000 0.982 275 E CA 0.973 57.457 56.400 0.140 0.000 0.809 275 E CB -0.212 29.498 29.700 0.017 0.000 0.756 275 E HN 0.626 nan 8.360 nan 0.000 0.459 276 L N 0.581 121.951 121.223 0.245 0.000 2.217 276 L HA -0.124 4.204 4.340 -0.020 0.000 0.211 276 L C 2.416 179.517 176.870 0.385 0.000 1.107 276 L CA 0.744 55.809 54.840 0.374 0.000 0.783 276 L CB -0.213 42.011 42.059 0.275 0.000 0.919 276 L HN 0.160 nan 8.230 nan 0.000 0.442 277 Q N -0.134 119.836 119.800 0.284 0.000 2.443 277 Q HA -0.244 4.084 4.340 -0.020 0.000 0.213 277 Q C 1.856 177.921 176.000 0.108 0.000 0.982 277 Q CA 1.093 57.010 55.803 0.189 0.000 0.894 277 Q CB -0.034 28.790 28.738 0.145 0.000 0.947 277 Q HN 0.610 nan 8.270 nan 0.000 0.480 278 Q N -0.511 119.356 119.800 0.110 0.000 2.432 278 Q HA 0.133 4.461 4.340 -0.020 0.000 0.205 278 Q C 0.112 175.930 176.000 -0.303 0.000 0.945 278 Q CA -0.015 55.751 55.803 -0.062 0.000 0.924 278 Q CB 0.383 29.111 28.738 -0.017 0.000 1.016 278 Q HN 0.186 nan 8.270 nan 0.000 0.503 279 A N 1.258 123.957 122.820 -0.203 0.000 2.491 279 A HA 0.009 4.317 4.320 -0.020 0.000 0.261 279 A C 0.569 178.000 177.584 -0.256 0.000 1.101 279 A CA -0.083 51.751 52.037 -0.339 0.000 0.772 279 A CB 0.306 19.304 19.000 -0.004 0.000 1.043 279 A HN 0.287 nan 8.150 nan 0.000 0.501 280 Q N 1.686 121.278 119.800 -0.346 0.000 2.408 280 Q HA 0.377 4.705 4.340 -0.020 0.000 0.205 280 Q C 0.120 176.040 176.000 -0.133 0.000 0.919 280 Q CA 0.551 56.253 55.803 -0.168 0.000 0.932 280 Q CB 0.491 29.154 28.738 -0.125 0.000 1.058 280 Q HN 0.792 nan 8.270 nan 0.000 0.517 281 I N -0.499 119.883 120.570 -0.312 0.000 2.743 281 I HA 0.288 4.446 4.170 -0.020 0.000 0.292 281 I C -1.796 174.032 176.117 -0.483 0.000 1.343 281 I CA -1.120 59.936 61.300 -0.406 0.000 1.038 281 I CB 2.049 39.778 38.000 -0.453 0.000 1.311 281 I HN -0.322 nan 8.210 nan 0.000 0.426 282 V N 7.468 127.093 119.914 -0.482 0.000 2.384 282 V HA 0.405 4.513 4.120 -0.020 0.000 0.287 282 V C -0.317 175.470 176.094 -0.512 0.000 1.020 282 V CA -0.593 61.420 62.300 -0.477 0.000 0.850 282 V CB 1.651 33.085 31.823 -0.648 0.000 0.987 282 V HN 0.457 nan 8.190 nan 0.000 0.436 283 V N 5.422 125.229 119.914 -0.178 0.000 2.333 283 V HA 0.374 4.482 4.120 -0.020 0.000 0.274 283 V C 0.067 176.163 176.094 0.004 0.000 1.028 283 V CA -0.358 61.935 62.300 -0.011 0.000 0.851 283 V CB 1.242 33.272 31.823 0.346 0.000 1.000 283 V HN 0.934 nan 8.190 nan 0.000 0.456 284 Q N 4.587 124.333 119.800 -0.091 0.000 2.290 284 Q HA 0.667 4.995 4.340 -0.020 0.000 0.259 284 Q C -1.647 174.315 176.000 -0.063 0.000 0.941 284 Q CA -0.703 55.093 55.803 -0.011 0.000 0.912 284 Q CB 1.523 30.311 28.738 0.084 0.000 1.244 284 Q HN 0.690 nan 8.270 nan 0.000 0.441 285 L N 3.468 124.655 121.223 -0.061 0.000 2.341 285 L HA 0.777 5.105 4.340 -0.020 0.000 0.278 285 L C 0.413 177.243 176.870 -0.066 0.000 1.005 285 L CA -0.080 54.678 54.840 -0.136 0.000 0.818 285 L CB 1.833 43.776 42.059 -0.192 0.000 1.259 285 L HN 0.903 nan 8.230 nan 0.000 0.418 286 G N 2.196 110.952 108.800 -0.074 0.000 2.828 286 G HA2 0.098 4.046 3.960 -0.020 0.000 0.463 286 G HA3 0.098 4.046 3.960 -0.020 0.000 0.463 286 G C -0.391 174.503 174.900 -0.010 0.000 1.394 286 G CA -0.243 44.835 45.100 -0.037 0.000 0.862 286 G HN 1.029 nan 8.290 nan 0.000 0.540 287 S N -2.537 113.162 115.700 -0.003 0.000 2.973 287 S HA 0.810 5.268 4.470 -0.020 0.000 0.317 287 S C 0.511 175.113 174.600 0.004 0.000 1.196 287 S CA 0.568 58.773 58.200 0.008 0.000 0.894 287 S CB 1.229 64.430 63.200 0.001 0.000 1.292 287 S HN 2.465 nan 8.310 nan 0.000 0.614 288 S N 0.533 116.233 115.700 0.001 0.000 3.711 288 S HA -0.099 4.359 4.470 -0.020 0.000 0.374 288 S C -0.180 174.417 174.600 -0.005 0.000 0.969 288 S CA -0.021 58.176 58.200 -0.006 0.000 1.198 288 S CB -1.737 61.457 63.200 -0.009 0.000 0.903 288 S HN 0.619 nan 8.310 nan 0.000 0.493 289 L N 1.253 122.480 121.223 0.007 0.000 2.514 289 L HA 0.111 4.439 4.340 -0.020 0.000 0.280 289 L C 1.863 178.728 176.870 -0.007 0.000 1.223 289 L CA 1.194 56.041 54.840 0.011 0.000 0.864 289 L CB -0.061 42.021 42.059 0.037 0.000 1.118 289 L HN 0.462 nan 8.230 nan 0.000 0.494 290 T N 0.625 115.169 114.554 -0.017 0.000 2.953 290 T HA 0.103 4.441 4.350 -0.020 0.000 0.247 290 T C 0.863 175.542 174.700 -0.035 0.000 1.029 290 T CA 0.558 62.639 62.100 -0.031 0.000 1.144 290 T CB -0.177 68.667 68.868 -0.041 0.000 0.870 290 T HN 0.719 nan 8.240 nan 0.000 0.446 291 G N 1.738 110.515 108.800 -0.038 0.000 2.403 291 G HA2 0.250 4.198 3.960 -0.020 0.000 0.259 291 G HA3 0.250 4.198 3.960 -0.020 0.000 0.259 291 G C 0.817 175.693 174.900 -0.040 0.000 1.244 291 G CA -0.468 44.601 45.100 -0.052 0.000 0.849 291 G HN -0.037 nan 8.290 nan 0.000 0.532 292 K N 1.577 121.951 120.400 -0.043 0.000 2.059 292 K HA -0.167 4.141 4.320 -0.020 0.000 0.212 292 K C 2.626 179.213 176.600 -0.021 0.000 1.050 292 K CA 1.250 57.519 56.287 -0.031 0.000 0.927 292 K CB -0.044 32.435 32.500 -0.035 0.000 0.714 292 K HN 0.406 nan 8.250 nan 0.000 0.447 293 R N 0.676 121.149 120.500 -0.044 0.000 2.062 293 R HA -0.076 4.252 4.340 -0.020 0.000 0.231 293 R C 2.252 178.565 176.300 0.022 0.000 1.136 293 R CA 0.806 56.883 56.100 -0.037 0.000 0.948 293 R CB -1.108 29.119 30.300 -0.121 0.000 0.845 293 R HN 0.156 nan 8.270 nan 0.000 0.430 294 L N 0.690 121.905 121.223 -0.014 0.000 1.997 294 L HA -0.192 4.136 4.340 -0.020 0.000 0.216 294 L C 1.876 178.839 176.870 0.156 0.000 1.074 294 L CA 1.820 56.711 54.840 0.085 0.000 0.763 294 L CB -0.747 41.324 42.059 0.020 0.000 0.890 294 L HN 0.223 nan 8.230 nan 0.000 0.434 295 L N -1.172 120.091 121.223 0.066 0.000 2.042 295 L HA -0.279 4.050 4.340 -0.020 0.000 0.210 295 L C 2.671 179.559 176.870 0.030 0.000 1.076 295 L CA 1.704 56.565 54.840 0.035 0.000 0.749 295 L CB -0.621 41.438 42.059 0.000 0.000 0.893 295 L HN 0.428 nan 8.230 nan 0.000 0.432 296 Q N -1.358 118.470 119.800 0.047 0.000 2.079 296 Q HA -0.244 4.084 4.340 -0.020 0.000 0.200 296 Q C 2.023 178.069 176.000 0.077 0.000 0.974 296 Q CA 1.836 57.664 55.803 0.041 0.000 0.840 296 Q CB -0.276 28.486 28.738 0.041 0.000 0.898 296 Q HN 0.565 nan 8.270 nan 0.000 0.430 297 W N 1.819 123.110 121.300 -0.015 0.000 2.355 297 W HA -0.219 4.429 4.660 -0.020 0.000 0.309 297 W C 2.252 178.804 176.519 0.055 0.000 1.206 297 W CA 1.592 58.945 57.345 0.012 0.000 1.284 297 W CB -0.276 29.180 29.460 -0.007 0.000 1.145 297 W HN 0.076 nan 8.180 nan 0.000 0.502 298 Q N 0.819 120.553 119.800 -0.109 0.000 2.096 298 Q HA -0.193 4.135 4.340 -0.020 0.000 0.204 298 Q C 2.149 178.016 176.000 -0.223 0.000 0.982 298 Q CA 2.359 57.984 55.803 -0.297 0.000 0.850 298 Q CB -0.822 27.921 28.738 0.007 0.000 0.901 298 Q HN 0.396 nan 8.270 nan 0.000 0.422 299 A N 0.298 123.028 122.820 -0.149 0.000 1.929 299 A HA -0.116 4.192 4.320 -0.020 0.000 0.216 299 A C 2.263 179.758 177.584 -0.148 0.000 1.176 299 A CA 1.886 53.828 52.037 -0.158 0.000 0.628 299 A CB -0.533 18.391 19.000 -0.127 0.000 0.816 299 A HN 0.576 nan 8.150 nan 0.000 0.444 300 S N -0.393 115.224 115.700 -0.139 0.000 2.425 300 S HA -0.062 4.396 4.470 -0.020 0.000 0.225 300 S C 1.208 175.738 174.600 -0.116 0.000 1.024 300 S CA 0.398 58.539 58.200 -0.098 0.000 0.951 300 S CB -1.761 61.419 63.200 -0.034 0.000 0.796 300 S HN 1.007 nan 8.310 nan 0.000 0.498 301 C N 1.826 120.944 119.300 -0.303 0.000 2.703 301 C HA 0.512 4.960 4.460 -0.020 0.000 0.411 301 C C 0.328 175.286 174.990 -0.054 0.000 1.290 301 C CA -0.748 58.074 59.018 -0.327 0.000 2.054 301 C CB -0.493 26.713 27.740 -0.891 0.000 2.732 301 C HN 0.585 nan 8.230 nan 0.000 0.650 302 E N 2.529 122.711 120.200 -0.029 0.000 3.898 302 E HA 0.301 4.639 4.350 -0.020 0.000 0.219 302 E C -2.165 174.437 176.600 0.004 0.000 1.207 302 E CA -0.939 55.484 56.400 0.039 0.000 1.240 302 E CB 0.597 30.325 29.700 0.048 0.000 1.239 302 E HN 0.730 nan 8.360 nan 0.000 0.422 303 P HA 0.054 nan 4.420 nan 0.000 0.276 303 P C 0.599 177.896 177.300 -0.005 0.000 1.252 303 P CA -0.167 62.897 63.100 -0.060 0.000 0.802 303 P CB 1.421 33.037 31.700 -0.140 0.000 1.035 304 E N 0.012 120.223 120.200 0.019 0.000 2.077 304 E HA -0.137 4.201 4.350 -0.020 0.000 0.193 304 E C 0.071 176.708 176.600 0.062 0.000 0.989 304 E CA 1.163 57.622 56.400 0.099 0.000 0.800 304 E CB 0.274 30.117 29.700 0.238 0.000 0.746 304 E HN 0.500 nan 8.360 nan 0.000 0.452 305 E N -1.452 118.707 120.200 -0.069 0.000 2.369 305 E HA 0.264 4.602 4.350 -0.020 0.000 0.270 305 E C -1.747 174.846 176.600 -0.011 0.000 0.909 305 E CA -0.832 55.541 56.400 -0.045 0.000 0.775 305 E CB 1.848 31.438 29.700 -0.184 0.000 1.270 305 E HN 0.073 nan 8.360 nan 0.000 0.445 306 Y N 1.021 121.351 120.300 0.049 0.000 2.338 306 Y HA 0.347 4.885 4.550 -0.020 0.000 0.333 306 Y C -1.603 174.473 175.900 0.294 0.000 0.968 306 Y CA -0.774 57.345 58.100 0.032 0.000 1.123 306 Y CB 0.991 39.369 38.460 -0.136 0.000 1.165 306 Y HN 0.445 nan 8.280 nan 0.000 0.452 307 W N 7.355 128.538 121.300 -0.195 0.000 2.529 307 W HA 0.636 5.284 4.660 -0.020 0.000 0.321 307 W C -1.171 175.287 176.519 -0.101 0.000 1.047 307 W CA -1.531 55.747 57.345 -0.112 0.000 1.216 307 W CB 1.161 30.533 29.460 -0.146 0.000 1.357 307 W HN 0.311 nan 8.180 nan 0.000 0.489 308 I N 3.818 124.465 120.570 0.128 0.000 2.389 308 I HA 0.357 4.515 4.170 -0.020 0.000 0.288 308 I C -0.593 175.423 176.117 -0.169 0.000 0.999 308 I CA -1.157 60.153 61.300 0.016 0.000 1.129 308 I CB 1.442 39.492 38.000 0.082 0.000 1.288 308 I HN -0.129 nan 8.210 nan 0.000 0.444 309 V N 5.130 124.856 119.914 -0.315 0.000 2.357 309 V HA 0.533 4.641 4.120 -0.020 0.000 0.284 309 V C -0.615 175.299 176.094 -0.300 0.000 1.018 309 V CA -0.198 61.797 62.300 -0.509 0.000 0.841 309 V CB 1.551 32.701 31.823 -1.122 0.000 0.991 309 V HN 0.684 nan 8.190 nan 0.000 0.437 310 D N 2.086 122.367 120.400 -0.198 0.000 2.648 310 D HA 0.230 4.858 4.640 -0.020 0.000 0.244 310 D C -0.004 176.272 176.300 -0.040 0.000 1.244 310 D CA -0.385 53.555 54.000 -0.100 0.000 0.772 310 D CB 2.379 43.141 40.800 -0.064 0.000 1.379 310 D HN 0.580 nan 8.370 nan 0.000 0.428 311 D N 0.577 120.982 120.400 0.009 0.000 2.347 311 D HA 0.043 4.671 4.640 -0.020 0.000 0.215 311 D C 1.253 177.666 176.300 0.188 0.000 0.976 311 D CA 0.243 54.296 54.000 0.089 0.000 0.884 311 D CB -0.270 40.566 40.800 0.061 0.000 0.915 311 D HN 0.515 nan 8.370 nan 0.000 0.526 312 I N -1.970 118.657 120.570 0.096 0.000 2.577 312 I HA 0.404 4.562 4.170 -0.020 0.000 0.300 312 I C -0.147 175.973 176.117 0.005 0.000 0.990 312 I CA -1.036 60.323 61.300 0.097 0.000 1.283 312 I CB 1.327 39.361 38.000 0.056 0.000 1.411 312 I HN -0.259 nan 8.210 nan 0.000 0.515 313 E N 2.840 123.013 120.200 -0.045 0.000 2.314 313 E HA 0.605 4.943 4.350 -0.020 0.000 0.262 313 E C 0.108 176.674 176.600 -0.057 0.000 1.093 313 E CA -0.138 56.201 56.400 -0.102 0.000 0.908 313 E CB 1.009 30.613 29.700 -0.161 0.000 1.091 313 E HN 1.109 nan 8.360 nan 0.000 0.425 314 G N 0.808 109.573 108.800 -0.059 0.000 2.663 314 G HA2 -0.212 3.736 3.960 -0.020 0.000 0.686 314 G HA3 -0.212 3.736 3.960 -0.020 0.000 0.686 314 G C -0.757 174.125 174.900 -0.029 0.000 1.288 314 G CA -0.947 44.130 45.100 -0.039 0.000 0.836 314 G HN 0.443 nan 8.290 nan 0.000 0.584 315 R N -0.584 119.906 120.500 -0.017 0.000 2.570 315 R HA 0.336 4.664 4.340 -0.020 0.000 0.277 315 R C 0.993 177.286 176.300 -0.011 0.000 1.039 315 R CA 0.312 56.408 56.100 -0.007 0.000 1.065 315 R CB 0.226 30.536 30.300 0.018 0.000 0.964 315 R HN 0.451 nan 8.270 nan 0.000 0.428 316 L N 0.887 122.099 121.223 -0.018 0.000 3.086 316 L HA 0.145 4.473 4.340 -0.020 0.000 0.274 316 L C 0.042 176.878 176.870 -0.056 0.000 1.184 316 L CA -0.085 54.740 54.840 -0.025 0.000 1.002 316 L CB 0.527 42.579 42.059 -0.012 0.000 1.383 316 L HN 0.512 nan 8.230 nan 0.000 0.582 317 D N 1.899 122.243 120.400 -0.095 0.000 2.456 317 D HA 0.158 4.786 4.640 -0.020 0.000 0.219 317 D C -1.446 174.645 176.300 -0.349 0.000 1.126 317 D CA -2.157 51.714 54.000 -0.214 0.000 0.890 317 D CB 1.392 42.046 40.800 -0.244 0.000 1.025 317 D HN -0.058 nan 8.370 nan 0.000 0.511 318 P HA -0.081 nan 4.420 nan 0.000 0.225 318 P C 0.754 177.551 177.300 -0.838 0.000 1.148 318 P CA 0.497 63.328 63.100 -0.448 0.000 0.779 318 P CB 0.308 31.868 31.700 -0.232 0.000 0.780 319 A N -0.813 121.580 122.820 -0.711 0.000 2.238 319 A HA -0.000 4.308 4.320 -0.020 0.000 0.210 319 A C 0.449 177.602 177.584 -0.718 0.000 1.179 319 A CA -0.011 51.611 52.037 -0.692 0.000 0.827 319 A CB -1.065 17.578 19.000 -0.594 0.000 0.856 319 A HN 0.252 nan 8.150 nan 0.000 0.488 320 H N -0.525 118.368 119.070 -0.295 0.000 2.770 320 H HA -0.175 4.369 4.556 -0.020 0.000 0.309 320 H C -0.478 174.712 175.328 -0.229 0.000 1.206 320 H CA 0.993 56.913 56.048 -0.212 0.000 1.147 320 H CB -2.626 27.042 29.762 -0.157 0.000 1.422 320 H HN 0.797 nan 8.280 nan 0.000 0.420 321 H N 0.528 119.504 119.070 -0.156 0.000 2.871 321 H HA 0.117 4.661 4.556 -0.020 0.000 0.355 321 H C 1.306 176.629 175.328 -0.008 0.000 1.092 321 H CA 0.143 56.130 56.048 -0.101 0.000 1.420 321 H CB 0.639 30.297 29.762 -0.174 0.000 1.400 321 H HN 0.279 nan 8.280 nan 0.000 0.604 322 R N 1.898 122.496 120.500 0.164 0.000 2.502 322 R HA 0.220 4.548 4.340 -0.020 0.000 0.292 322 R C 0.233 176.624 176.300 0.151 0.000 0.998 322 R CA 0.946 57.119 56.100 0.122 0.000 1.056 322 R CB -0.245 30.119 30.300 0.107 0.000 0.939 322 R HN 0.924 nan 8.270 nan 0.000 0.411 323 G N 3.156 112.018 108.800 0.104 0.000 2.591 323 G HA2 0.094 4.042 3.960 -0.020 0.000 0.104 323 G HA3 0.094 4.042 3.960 -0.020 0.000 0.104 323 G C -1.445 173.434 174.900 -0.035 0.000 1.097 323 G CA -0.801 44.357 45.100 0.096 0.000 1.076 323 G HN 0.530 nan 8.290 nan 0.000 0.485 324 R N -0.568 119.872 120.500 -0.100 0.000 2.744 324 R HA 0.777 5.105 4.340 -0.020 0.000 0.279 324 R C -0.882 175.329 176.300 -0.148 0.000 0.977 324 R CA -0.814 55.118 56.100 -0.280 0.000 0.906 324 R CB 1.929 31.746 30.300 -0.805 0.000 1.197 324 R HN 0.289 nan 8.270 nan 0.000 0.463 325 R N 3.365 123.780 120.500 -0.141 0.000 2.494 325 R HA 0.347 4.675 4.340 -0.020 0.000 0.284 325 R C -1.389 174.836 176.300 -0.125 0.000 1.525 325 R CA -0.478 55.562 56.100 -0.099 0.000 1.460 325 R CB 0.153 30.417 30.300 -0.059 0.000 1.134 325 R HN 0.564 nan 8.270 nan 0.000 0.592 326 L N 4.774 125.893 121.223 -0.173 0.000 2.276 326 L HA 0.475 4.803 4.340 -0.020 0.000 0.286 326 L C 0.409 177.199 176.870 -0.132 0.000 1.061 326 L CA -0.588 54.162 54.840 -0.149 0.000 0.807 326 L CB 1.098 43.043 42.059 -0.190 0.000 1.177 326 L HN 0.177 nan 8.230 nan 0.000 0.429 327 I N 3.105 123.644 120.570 -0.052 0.000 2.307 327 I HA 0.719 4.877 4.170 -0.020 0.000 0.289 327 I C 0.206 176.346 176.117 0.039 0.000 1.021 327 I CA -0.205 61.078 61.300 -0.030 0.000 1.224 327 I CB 0.676 38.648 38.000 -0.046 0.000 1.376 327 I HN 0.687 nan 8.210 nan 0.000 0.470 328 A N 5.722 128.564 122.820 0.038 0.000 2.605 328 A HA 0.364 4.672 4.320 -0.020 0.000 0.294 328 A C -0.597 177.028 177.584 0.067 0.000 1.062 328 A CA -0.803 51.296 52.037 0.102 0.000 0.682 328 A CB 1.479 20.616 19.000 0.230 0.000 1.278 328 A HN 0.701 nan 8.150 nan 0.000 0.410 329 N N 1.483 120.231 118.700 0.081 0.000 2.447 329 N HA 0.058 4.786 4.740 -0.020 0.000 0.263 329 N C 0.845 176.391 175.510 0.060 0.000 1.226 329 N CA 0.088 53.168 53.050 0.050 0.000 0.906 329 N CB 0.465 38.977 38.487 0.042 0.000 1.060 329 N HN 0.575 nan 8.380 nan 0.000 0.468 330 I N 3.263 123.839 120.570 0.010 0.000 2.179 330 I HA -0.269 3.889 4.170 -0.020 0.000 0.242 330 I C 2.274 178.393 176.117 0.004 0.000 1.088 330 I CA 1.233 62.521 61.300 -0.019 0.000 1.357 330 I CB -0.343 37.613 38.000 -0.074 0.000 1.051 330 I HN 0.667 nan 8.210 nan 0.000 0.409 331 A N 0.442 123.258 122.820 -0.006 0.000 1.940 331 A HA -0.244 4.064 4.320 -0.020 0.000 0.219 331 A C 1.949 179.538 177.584 0.007 0.000 1.176 331 A CA 2.056 54.085 52.037 -0.014 0.000 0.631 331 A CB -0.553 18.442 19.000 -0.009 0.000 0.814 331 A HN 0.351 nan 8.150 nan 0.000 0.446 332 D N -1.627 118.797 120.400 0.039 0.000 2.097 332 D HA -0.158 4.470 4.640 -0.020 0.000 0.197 332 D C 1.592 177.934 176.300 0.071 0.000 0.984 332 D CA 1.096 55.123 54.000 0.046 0.000 0.826 332 D CB -0.432 40.403 40.800 0.059 0.000 0.973 332 D HN 0.730 nan 8.370 nan 0.000 0.460 333 W N 1.554 122.819 121.300 -0.058 0.000 2.363 333 W HA -0.113 4.535 4.660 -0.020 0.000 0.296 333 W C 2.029 178.518 176.519 -0.050 0.000 1.212 333 W CA 1.082 58.423 57.345 -0.006 0.000 1.260 333 W CB -0.245 29.176 29.460 -0.066 0.000 1.131 333 W HN -0.077 nan 8.180 nan 0.000 0.530 334 L N -0.023 121.209 121.223 0.014 0.000 2.201 334 L HA -0.168 4.160 4.340 -0.020 0.000 0.212 334 L C 2.173 178.991 176.870 -0.086 0.000 1.105 334 L CA 1.443 56.135 54.840 -0.247 0.000 0.775 334 L CB -0.768 41.042 42.059 -0.415 0.000 0.913 334 L HN 0.021 nan 8.230 nan 0.000 0.440 335 E N -0.209 119.951 120.200 -0.066 0.000 2.122 335 E HA -0.162 4.176 4.350 -0.020 0.000 0.190 335 E C 2.004 178.540 176.600 -0.108 0.000 0.977 335 E CA 0.502 56.880 56.400 -0.038 0.000 0.820 335 E CB 0.087 29.772 29.700 -0.025 0.000 0.770 335 E HN 0.193 nan 8.360 nan 0.000 0.462 336 L N 0.262 121.345 121.223 -0.234 0.000 2.179 336 L HA -0.039 4.289 4.340 -0.020 0.000 0.208 336 L C 0.162 176.582 176.870 -0.749 0.000 1.096 336 L CA 1.686 56.261 54.840 -0.442 0.000 0.779 336 L CB -0.023 41.732 42.059 -0.507 0.000 0.922 336 L HN 0.064 nan 8.230 nan 0.000 0.443 337 H N 0.015 118.746 119.070 -0.564 0.000 2.340 337 H HA 0.353 4.897 4.556 -0.020 0.000 0.233 337 H C -2.356 172.926 175.328 -0.077 0.000 1.435 337 H CA -2.362 53.237 56.048 -0.749 0.000 1.389 337 H CB -0.242 28.355 29.762 -1.942 0.000 1.491 337 H HN 0.151 nan 8.280 nan 0.000 0.518 338 P HA 0.119 nan 4.420 nan 0.000 0.272 338 P C -0.082 177.552 177.300 0.556 0.000 1.230 338 P CA -0.352 63.015 63.100 0.445 0.000 0.788 338 P CB 1.080 32.922 31.700 0.236 0.000 0.949 339 A N 1.394 124.358 122.820 0.241 0.000 2.331 339 A HA 0.247 4.556 4.320 -0.020 0.000 0.283 339 A C 0.244 177.751 177.584 -0.128 0.000 1.142 339 A CA -0.460 51.466 52.037 -0.186 0.000 0.812 339 A CB -0.126 18.510 19.000 -0.607 0.000 1.074 339 A HN 0.590 nan 8.150 nan 0.000 0.497 340 E N 1.530 121.585 120.200 -0.241 0.000 2.197 340 E HA 0.197 4.535 4.350 -0.020 0.000 0.281 340 E C -0.316 176.154 176.600 -0.216 0.000 0.995 340 E CA -0.560 55.724 56.400 -0.193 0.000 0.808 340 E CB 0.725 30.291 29.700 -0.223 0.000 1.093 340 E HN 0.581 nan 8.360 nan 0.000 0.394 341 K N 3.699 124.016 120.400 -0.138 0.000 2.436 341 K HA 0.048 4.356 4.320 -0.020 0.000 0.282 341 K C -0.552 175.980 176.600 -0.113 0.000 1.044 341 K CA 0.362 56.578 56.287 -0.117 0.000 1.028 341 K CB 0.440 32.897 32.500 -0.072 0.000 0.919 341 K HN 0.316 nan 8.250 nan 0.000 0.474 342 R N 2.474 122.907 120.500 -0.113 0.000 2.643 342 R HA 0.130 4.458 4.340 -0.020 0.000 0.269 342 R C -1.639 174.642 176.300 -0.032 0.000 1.037 342 R CA -0.719 55.334 56.100 -0.078 0.000 0.894 342 R CB 1.451 31.689 30.300 -0.104 0.000 1.238 342 R HN 0.503 nan 8.270 nan 0.000 0.459 343 Q N 3.466 123.266 119.800 0.000 0.000 2.327 343 Q HA 0.349 4.677 4.340 -0.020 0.000 0.254 343 Q C -2.021 174.021 176.000 0.071 0.000 0.952 343 Q CA -1.533 54.280 55.803 0.018 0.000 0.884 343 Q CB 0.853 29.599 28.738 0.012 0.000 1.224 343 Q HN 0.329 nan 8.270 nan 0.000 0.422 344 P HA -0.075 nan 4.420 nan 0.000 0.268 344 P C -0.111 177.258 177.300 0.115 0.000 1.208 344 P CA 0.267 63.398 63.100 0.050 0.000 0.777 344 P CB 0.279 31.945 31.700 -0.057 0.000 0.875 345 W N 0.006 121.314 121.300 0.013 0.000 2.998 345 W HA 0.281 4.929 4.660 -0.020 0.000 0.336 345 W C -0.992 175.507 176.519 -0.034 0.000 1.112 345 W CA -0.299 57.039 57.345 -0.012 0.000 1.682 345 W CB -0.774 28.678 29.460 -0.014 0.000 1.065 345 W HN -0.036 nan 8.180 nan 0.000 0.570 346 C N 2.295 121.238 119.300 -0.595 0.000 2.388 346 C HA 0.426 4.874 4.460 -0.020 0.000 0.362 346 C C 1.706 176.506 174.990 -0.316 0.000 1.266 346 C CA -0.140 58.499 59.018 -0.632 0.000 2.028 346 C CB 1.837 29.070 27.740 -0.844 0.000 2.440 346 C HN 0.162 nan 8.230 nan 0.000 0.547 347 V N 2.065 121.840 119.914 -0.233 0.000 2.911 347 V HA 0.015 4.123 4.120 -0.020 0.000 0.237 347 V C 1.923 177.915 176.094 -0.170 0.000 1.156 347 V CA 1.011 63.220 62.300 -0.153 0.000 1.180 347 V CB -0.172 31.603 31.823 -0.080 0.000 0.932 347 V HN 0.924 nan 8.190 nan 0.000 0.483 348 E N -0.330 119.759 120.200 -0.186 0.000 2.389 348 E HA 0.127 4.465 4.350 -0.020 0.000 0.199 348 E C 2.076 178.517 176.600 -0.265 0.000 0.978 348 E CA 0.279 56.571 56.400 -0.180 0.000 0.912 348 E CB 0.210 29.838 29.700 -0.120 0.000 0.907 348 E HN 0.469 nan 8.360 nan 0.000 0.494 349 I N 2.095 122.445 120.570 -0.366 0.000 2.163 349 I HA -0.178 3.980 4.170 -0.020 0.000 0.243 349 I C -0.542 175.202 176.117 -0.621 0.000 1.085 349 I CA 1.244 62.190 61.300 -0.590 0.000 1.347 349 I CB -1.058 36.508 38.000 -0.722 0.000 1.044 349 I HN 0.047 nan 8.210 nan 0.000 0.408 350 P HA -0.210 nan 4.420 nan 0.000 0.215 350 P C 1.543 178.669 177.300 -0.291 0.000 1.157 350 P CA 1.496 64.385 63.100 -0.353 0.000 0.874 350 P CB -0.045 31.500 31.700 -0.258 0.000 0.790 351 R N -0.365 119.990 120.500 -0.240 0.000 2.073 351 R HA -0.058 4.270 4.340 -0.020 0.000 0.234 351 R C 2.296 178.487 176.300 -0.182 0.000 1.134 351 R CA 1.324 57.319 56.100 -0.175 0.000 0.952 351 R CB -1.382 28.837 30.300 -0.135 0.000 0.850 351 R HN 0.085 nan 8.270 nan 0.000 0.433 352 L N -0.115 120.969 121.223 -0.232 0.000 2.042 352 L HA -0.150 4.178 4.340 -0.020 0.000 0.210 352 L C 2.519 179.264 176.870 -0.208 0.000 1.076 352 L CA 1.509 56.233 54.840 -0.193 0.000 0.749 352 L CB -0.576 41.366 42.059 -0.195 0.000 0.893 352 L HN 0.375 nan 8.230 nan 0.000 0.432 353 A N -0.643 121.909 122.820 -0.446 0.000 1.908 353 A HA -0.278 4.030 4.320 -0.020 0.000 0.218 353 A C 2.265 179.785 177.584 -0.106 0.000 1.181 353 A CA 1.960 53.786 52.037 -0.351 0.000 0.627 353 A CB -0.539 18.118 19.000 -0.573 0.000 0.818 353 A HN 0.488 nan 8.150 nan 0.000 0.445 354 E N -0.326 119.793 120.200 -0.134 0.000 2.031 354 E HA -0.260 4.079 4.350 -0.020 0.000 0.193 354 E C 2.226 178.801 176.600 -0.042 0.000 0.994 354 E CA 1.504 57.859 56.400 -0.076 0.000 0.800 354 E CB -0.167 29.479 29.700 -0.089 0.000 0.752 354 E HN 0.789 nan 8.360 nan 0.000 0.447 355 Q N 0.457 120.230 119.800 -0.045 0.000 2.124 355 Q HA -0.066 4.262 4.340 -0.020 0.000 0.202 355 Q C 1.163 177.163 176.000 0.000 0.000 0.977 355 Q CA 0.770 56.560 55.803 -0.022 0.000 0.850 355 Q CB -0.267 28.458 28.738 -0.022 0.000 0.901 355 Q HN 0.203 nan 8.270 nan 0.000 0.429 359 A N 0.807 123.609 122.820 -0.030 0.000 1.873 359 A HA -0.174 4.134 4.320 -0.020 0.000 0.218 359 A C 1.977 179.515 177.584 -0.078 0.000 1.193 359 A CA 2.166 54.182 52.037 -0.034 0.000 0.629 359 A CB -0.836 18.156 19.000 -0.013 0.000 0.826 359 A HN 0.165 nan 8.150 nan 0.000 0.447 360 V N 0.169 120.014 119.914 -0.115 0.000 2.287 360 V HA -0.297 3.811 4.120 -0.020 0.000 0.248 360 V C 2.439 178.299 176.094 -0.390 0.000 1.053 360 V CA 2.137 64.289 62.300 -0.247 0.000 1.027 360 V CB -0.809 30.854 31.823 -0.266 0.000 0.646 360 V HN 0.576 nan 8.190 nan 0.000 0.447 361 I N 0.736 121.127 120.570 -0.297 0.000 2.208 361 I HA -0.287 3.871 4.170 -0.020 0.000 0.245 361 I C 2.640 178.692 176.117 -0.109 0.000 1.097 361 I CA 1.546 62.734 61.300 -0.186 0.000 1.363 361 I CB -0.616 37.367 38.000 -0.027 0.000 1.051 361 I HN 0.298 nan 8.210 nan 0.000 0.413 362 A N 0.296 123.068 122.820 -0.080 0.000 2.032 362 A HA -0.169 4.139 4.320 -0.020 0.000 0.221 362 A C 2.128 179.692 177.584 -0.034 0.000 1.165 362 A CA 1.485 53.497 52.037 -0.042 0.000 0.645 362 A CB -0.365 18.617 19.000 -0.029 0.000 0.807 362 A HN 0.355 nan 8.150 nan 0.000 0.453 363 R N -0.848 119.613 120.500 -0.065 0.000 2.546 363 R HA 0.073 4.401 4.340 -0.020 0.000 0.320 363 R C 1.370 177.666 176.300 -0.007 0.000 1.021 363 R CA 0.426 56.510 56.100 -0.027 0.000 1.088 363 R CB 0.095 30.375 30.300 -0.033 0.000 1.278 363 R HN 0.791 nan 8.270 nan 0.000 0.557 364 R N -0.106 120.376 120.500 -0.030 0.000 2.285 364 R HA -0.029 4.299 4.340 -0.020 0.000 0.213 364 R C 0.413 176.784 176.300 0.118 0.000 1.068 364 R CA 1.052 57.169 56.100 0.028 0.000 1.004 364 R CB -0.015 30.304 30.300 0.032 0.000 0.873 364 R HN -0.043 nan 8.270 nan 0.000 0.467 365 D N 2.054 122.547 120.400 0.156 0.000 2.103 365 D HA 0.014 4.642 4.640 -0.020 0.000 0.199 365 D C 0.686 177.281 176.300 0.493 0.000 0.978 365 D CA 1.212 55.378 54.000 0.277 0.000 0.829 365 D CB -0.359 40.553 40.800 0.186 0.000 0.981 365 D HN 0.366 nan 8.370 nan 0.000 0.464 366 A N 0.729 123.755 122.820 0.343 0.000 2.565 366 A HA -0.073 4.235 4.320 -0.020 0.000 0.237 366 A C -0.061 177.790 177.584 0.445 0.000 1.053 366 A CA -0.068 52.160 52.037 0.318 0.000 0.755 366 A CB -0.362 18.753 19.000 0.190 0.000 0.980 366 A HN 0.142 nan 8.150 nan 0.000 0.506 367 F N 3.385 123.361 119.950 0.043 0.000 2.666 367 F HA 0.445 4.960 4.527 -0.020 0.000 0.362 367 F C 0.936 176.661 175.800 -0.125 0.000 1.190 367 F CA 0.075 57.903 58.000 -0.288 0.000 1.328 367 F CB -0.522 38.148 39.000 -0.549 0.000 1.682 367 F HN 0.573 nan 8.300 nan 0.000 0.623 368 G N 1.452 110.215 108.800 -0.062 0.000 2.600 368 G HA2 0.273 4.221 3.960 -0.020 0.000 0.303 368 G HA3 0.273 4.221 3.960 -0.020 0.000 0.303 368 G C 0.431 175.307 174.900 -0.039 0.000 1.253 368 G CA -0.373 44.679 45.100 -0.080 0.000 0.974 368 G HN 0.434 nan 8.290 nan 0.000 0.483 369 E N -0.212 119.962 120.200 -0.043 0.000 2.110 369 E HA -0.088 4.250 4.350 -0.020 0.000 0.193 369 E C 2.304 178.938 176.600 0.056 0.000 0.988 369 E CA 1.363 57.760 56.400 -0.005 0.000 0.804 369 E CB -0.189 29.502 29.700 -0.016 0.000 0.745 369 E HN 0.400 nan 8.360 nan 0.000 0.458 370 A N 1.292 124.147 122.820 0.058 0.000 1.892 370 A HA -0.306 4.002 4.320 -0.020 0.000 0.218 370 A C 2.197 179.856 177.584 0.126 0.000 1.188 370 A CA 2.132 54.212 52.037 0.071 0.000 0.631 370 A CB -0.624 18.407 19.000 0.052 0.000 0.822 370 A HN 0.267 nan 8.150 nan 0.000 0.447 371 Q N -0.475 119.433 119.800 0.181 0.000 2.046 371 Q HA -0.022 4.307 4.340 -0.020 0.000 0.200 371 Q C 2.119 178.296 176.000 0.295 0.000 0.975 371 Q CA 1.202 57.166 55.803 0.267 0.000 0.836 371 Q CB -0.462 28.526 28.738 0.417 0.000 0.896 371 Q HN 0.662 nan 8.270 nan 0.000 0.428 372 L N 0.022 121.471 121.223 0.376 0.000 1.997 372 L HA -0.321 4.007 4.340 -0.020 0.000 0.216 372 L C 2.071 179.068 176.870 0.212 0.000 1.074 372 L CA 1.874 56.934 54.840 0.367 0.000 0.763 372 L CB -0.655 41.556 42.059 0.253 0.000 0.890 372 L HN 0.356 nan 8.230 nan 0.000 0.434 373 A N -0.791 122.118 122.820 0.147 0.000 1.865 373 A HA -0.358 3.950 4.320 -0.020 0.000 0.217 373 A C 2.040 179.663 177.584 0.064 0.000 1.191 373 A CA 2.091 54.182 52.037 0.091 0.000 0.623 373 A CB -1.139 17.902 19.000 0.068 0.000 0.826 373 A HN 0.762 nan 8.150 nan 0.000 0.444 374 H N 1.101 120.173 119.070 0.003 0.000 2.289 374 H HA -0.162 4.382 4.556 -0.020 0.000 0.294 374 H C 1.706 176.981 175.328 -0.088 0.000 1.095 374 H CA 2.243 58.268 56.048 -0.037 0.000 1.256 374 H CB -0.134 29.608 29.762 -0.034 0.000 1.359 374 H HN 0.543 nan 8.280 nan 0.000 0.487 375 R N 0.259 120.546 120.500 -0.354 0.000 2.568 375 R HA 0.137 4.466 4.340 -0.020 0.000 0.288 375 R C 1.291 177.330 176.300 -0.436 0.000 1.077 375 R CA 0.321 56.103 56.100 -0.529 0.000 1.102 375 R CB -0.532 29.464 30.300 -0.505 0.000 1.278 375 R HN 0.352 nan 8.270 nan 0.000 0.560 376 I N 1.212 121.642 120.570 -0.234 0.000 2.454 376 I HA -0.270 3.888 4.170 -0.020 0.000 0.254 376 I C 1.727 177.696 176.117 -0.246 0.000 1.156 376 I CA 1.120 62.358 61.300 -0.105 0.000 1.433 376 I CB 0.068 38.070 38.000 0.004 0.000 1.082 376 I HN 0.393 nan 8.210 nan 0.000 0.432 377 C N 0.139 119.240 119.300 -0.332 0.000 2.429 377 C HA -0.137 4.311 4.460 -0.020 0.000 0.277 377 C C 2.221 176.973 174.990 -0.396 0.000 1.262 377 C CA 0.437 59.238 59.018 -0.362 0.000 1.733 377 C CB -1.646 25.896 27.740 -0.329 0.000 2.010 377 C HN 0.467 nan 8.230 nan 0.000 0.483 378 D N 0.334 120.425 120.400 -0.516 0.000 2.362 378 D HA -0.134 4.494 4.640 -0.020 0.000 0.215 378 D C 1.266 177.245 176.300 -0.536 0.000 0.978 378 D CA 1.577 55.219 54.000 -0.596 0.000 0.921 378 D CB -0.272 40.020 40.800 -0.847 0.000 0.895 378 D HN 0.662 nan 8.370 nan 0.000 0.494 379 Y N -0.568 119.571 120.300 -0.268 0.000 2.426 379 Y HA 0.288 4.826 4.550 -0.020 0.000 0.249 379 Y C 0.915 176.602 175.900 -0.356 0.000 1.103 379 Y CA -0.669 57.171 58.100 -0.434 0.000 1.256 379 Y CB -0.121 37.985 38.460 -0.590 0.000 1.208 379 Y HN -0.170 nan 8.280 nan 0.000 0.519 380 L N 4.365 125.483 121.223 -0.175 0.000 2.490 380 L HA 0.102 4.431 4.340 -0.020 0.000 0.274 380 L C -1.919 174.834 176.870 -0.195 0.000 1.201 380 L CA -1.633 53.101 54.840 -0.177 0.000 0.869 380 L CB -0.023 41.705 42.059 -0.551 0.000 1.123 380 L HN -0.081 nan 8.230 nan 0.000 0.484 381 P HA 0.028 nan 4.420 nan 0.000 0.271 381 P C -0.619 176.509 177.300 -0.287 0.000 1.218 381 P CA -0.369 62.295 63.100 -0.726 0.000 0.780 381 P CB 0.565 31.608 31.700 -1.095 0.000 0.901 382 E N 2.712 122.714 120.200 -0.330 0.000 2.417 382 E HA -0.041 4.297 4.350 -0.020 0.000 0.261 382 E C 0.544 177.073 176.600 -0.118 0.000 1.000 382 E CA 0.430 56.744 56.400 -0.145 0.000 0.919 382 E CB 0.090 29.707 29.700 -0.139 0.000 0.955 382 E HN 0.322 nan 8.360 nan 0.000 0.455 383 Q N -0.038 119.726 119.800 -0.059 0.000 2.475 383 Q HA -0.200 4.128 4.340 -0.020 0.000 0.280 383 Q C 0.284 176.191 176.000 -0.154 0.000 1.234 383 Q CA 1.286 57.027 55.803 -0.104 0.000 0.873 383 Q CB -2.100 26.590 28.738 -0.079 0.000 1.256 383 Q HN 0.739 nan 8.270 nan 0.000 0.475 384 G N -0.067 108.620 108.800 -0.189 0.000 2.890 384 G HA2 0.719 4.667 3.960 -0.020 0.000 0.189 384 G HA3 0.719 4.667 3.960 -0.020 0.000 0.189 384 G C -0.322 174.398 174.900 -0.299 0.000 1.342 384 G CA 0.079 45.080 45.100 -0.165 0.000 1.026 384 G HN 0.223 nan 8.290 nan 0.000 0.579 385 Q N -1.549 118.225 119.800 -0.044 0.000 2.479 385 Q HA 0.520 4.848 4.340 -0.020 0.000 0.276 385 Q C -2.236 173.935 176.000 0.286 0.000 0.989 385 Q CA -0.907 54.924 55.803 0.047 0.000 0.864 385 Q CB 2.018 30.866 28.738 0.183 0.000 1.444 385 Q HN 0.520 nan 8.270 nan 0.000 0.388 386 L N 2.622 124.049 121.223 0.340 0.000 2.296 386 L HA 0.587 4.915 4.340 -0.020 0.000 0.286 386 L C -1.617 175.454 176.870 0.335 0.000 1.023 386 L CA -0.498 54.532 54.840 0.316 0.000 0.812 386 L CB 1.231 43.437 42.059 0.244 0.000 1.223 386 L HN 0.694 nan 8.230 nan 0.000 0.421 387 F N 6.163 126.224 119.950 0.186 0.000 2.361 387 F HA 0.541 5.056 4.527 -0.020 0.000 0.364 387 F C -0.579 175.282 175.800 0.102 0.000 1.120 387 F CA -0.642 57.450 58.000 0.154 0.000 1.102 387 F CB 0.960 40.028 39.000 0.114 0.000 1.183 387 F HN 0.218 nan 8.300 nan 0.000 0.476 388 V N 6.832 126.469 119.914 -0.462 0.000 2.406 388 V HA 0.482 4.590 4.120 -0.020 0.000 0.272 388 V C 0.923 176.667 176.094 -0.582 0.000 1.043 388 V CA -0.399 61.683 62.300 -0.363 0.000 0.915 388 V CB 0.510 32.205 31.823 -0.214 0.000 0.988 388 V HN 0.923 nan 8.190 nan 0.000 0.466 389 G N 3.906 112.526 108.800 -0.300 0.000 2.621 389 G HA2 0.258 4.206 3.960 -0.020 0.000 0.271 389 G HA3 0.258 4.206 3.960 -0.020 0.000 0.271 389 G C -0.031 174.781 174.900 -0.146 0.000 1.236 389 G CA -0.597 44.388 45.100 -0.192 0.000 0.958 389 G HN 0.633 nan 8.290 nan 0.000 0.512 390 N N -1.140 117.505 118.700 -0.092 0.000 2.495 390 N HA 0.438 5.166 4.740 -0.020 0.000 0.294 390 N C 0.825 176.297 175.510 -0.065 0.000 1.276 390 N CA 0.255 53.257 53.050 -0.081 0.000 0.973 390 N CB 1.183 39.630 38.487 -0.067 0.000 1.143 390 N HN 0.678 nan 8.380 nan 0.000 0.589 391 S N -1.043 114.614 115.700 -0.072 0.000 3.973 391 S HA -0.232 4.226 4.470 -0.020 0.000 0.627 391 S C 1.074 175.622 174.600 -0.086 0.000 2.126 391 S CA 0.580 58.725 58.200 -0.092 0.000 4.069 391 S CB -1.232 61.916 63.200 -0.086 0.000 0.220 391 S HN 0.412 nan 8.310 nan 0.000 0.739 392 L N 1.828 123.003 121.223 -0.080 0.000 2.083 392 L HA 0.051 4.379 4.340 -0.020 0.000 0.209 392 L C 2.716 179.559 176.870 -0.045 0.000 1.083 392 L CA 2.433 57.235 54.840 -0.064 0.000 0.752 392 L CB -1.235 40.792 42.059 -0.053 0.000 0.899 392 L HN 0.646 nan 8.230 nan 0.000 0.433 393 V N -1.399 118.491 119.914 -0.039 0.000 2.295 393 V HA -0.234 3.875 4.120 -0.020 0.000 0.246 393 V C 2.489 178.560 176.094 -0.037 0.000 1.049 393 V CA 2.004 64.288 62.300 -0.027 0.000 1.024 393 V CB -0.118 31.693 31.823 -0.020 0.000 0.648 393 V HN 0.262 nan 8.190 nan 0.000 0.447 394 V N 0.176 120.055 119.914 -0.058 0.000 2.343 394 V HA -0.259 3.850 4.120 -0.020 0.000 0.247 394 V C 2.715 178.776 176.094 -0.054 0.000 1.051 394 V CA 2.715 64.975 62.300 -0.067 0.000 1.036 394 V CB -0.615 31.155 31.823 -0.089 0.000 0.654 394 V HN 0.623 nan 8.190 nan 0.000 0.451 395 R N -0.798 119.670 120.500 -0.052 0.000 2.081 395 R HA -0.050 4.278 4.340 -0.020 0.000 0.235 395 R C 2.244 178.523 176.300 -0.036 0.000 1.131 395 R CA 1.884 57.955 56.100 -0.048 0.000 0.960 395 R CB -0.304 29.964 30.300 -0.054 0.000 0.856 395 R HN 0.489 nan 8.270 nan 0.000 0.436 396 L N 0.028 121.236 121.223 -0.025 0.000 2.109 396 L HA -0.120 4.208 4.340 -0.020 0.000 0.207 396 L C 2.238 179.111 176.870 0.004 0.000 1.086 396 L CA 1.050 55.886 54.840 -0.006 0.000 0.760 396 L CB -0.313 41.749 42.059 0.006 0.000 0.910 396 L HN 0.214 nan 8.230 nan 0.000 0.437 397 I N 0.084 120.652 120.570 -0.004 0.000 2.286 397 I HA -0.286 3.872 4.170 -0.020 0.000 0.248 397 I C 2.051 178.160 176.117 -0.014 0.000 1.115 397 I CA 1.458 62.754 61.300 -0.006 0.000 1.392 397 I CB -0.295 37.695 38.000 -0.017 0.000 1.065 397 I HN 0.286 nan 8.210 nan 0.000 0.418 398 D N 0.744 121.129 120.400 -0.025 0.000 2.224 398 D HA -0.070 4.558 4.640 -0.020 0.000 0.205 398 D C 2.058 178.338 176.300 -0.033 0.000 0.965 398 D CA 1.136 55.117 54.000 -0.032 0.000 0.852 398 D CB 0.253 41.027 40.800 -0.043 0.000 0.947 398 D HN 0.284 nan 8.370 nan 0.000 0.494 399 A N -0.519 122.285 122.820 -0.027 0.000 1.943 399 A HA 0.172 4.480 4.320 -0.020 0.000 0.213 399 A C 1.855 179.440 177.584 0.002 0.000 1.181 399 A CA 0.554 52.572 52.037 -0.032 0.000 0.653 399 A CB -0.090 18.890 19.000 -0.034 0.000 0.833 399 A HN 0.311 nan 8.150 nan 0.000 0.451 400 L N -1.146 120.096 121.223 0.033 0.000 2.858 400 L HA 0.272 4.600 4.340 -0.020 0.000 0.251 400 L C 0.612 177.592 176.870 0.184 0.000 1.149 400 L CA 0.112 55.007 54.840 0.091 0.000 0.955 400 L CB 0.673 42.786 42.059 0.089 0.000 1.289 400 L HN 0.260 nan 8.230 nan 0.000 0.542 401 S N 0.163 115.909 115.700 0.076 0.000 2.548 401 S HA 0.356 4.814 4.470 -0.020 0.000 0.286 401 S C -0.912 173.678 174.600 -0.016 0.000 1.098 401 S CA -0.453 57.752 58.200 0.008 0.000 0.930 401 S CB 2.130 65.293 63.200 -0.061 0.000 1.070 401 S HN 0.202 nan 8.310 nan 0.000 0.480 402 Q N 4.454 124.223 119.800 -0.052 0.000 2.563 402 Q HA 0.413 4.741 4.340 -0.020 0.000 0.232 402 Q C -0.956 174.995 176.000 -0.082 0.000 1.106 402 Q CA -0.474 55.301 55.803 -0.045 0.000 0.913 402 Q CB 0.288 29.008 28.738 -0.031 0.000 1.175 402 Q HN 0.706 nan 8.270 nan 0.000 0.540 403 L N 4.803 125.982 121.223 -0.074 0.000 2.426 403 L HA 0.301 4.629 4.340 -0.020 0.000 0.271 403 L C -1.931 174.895 176.870 -0.075 0.000 1.169 403 L CA -1.934 52.847 54.840 -0.099 0.000 0.836 403 L CB 0.120 42.134 42.059 -0.074 0.000 1.112 403 L HN 0.477 nan 8.230 nan 0.000 0.465 404 P HA 0.077 nan 4.420 nan 0.000 0.268 404 P C -0.530 176.779 177.300 0.015 0.000 1.204 404 P CA -0.362 62.708 63.100 -0.051 0.000 0.768 404 P CB 0.626 32.281 31.700 -0.075 0.000 0.842 405 A N 3.265 126.093 122.820 0.013 0.000 2.565 405 A HA 0.379 4.687 4.320 -0.020 0.000 0.237 405 A C 1.638 179.246 177.584 0.041 0.000 1.053 405 A CA 0.772 52.823 52.037 0.024 0.000 0.755 405 A CB -1.377 17.634 19.000 0.017 0.000 0.980 405 A HN 0.916 nan 8.150 nan 0.000 0.506 406 G N 0.359 109.176 108.800 0.029 0.000 2.189 406 G HA2 -0.309 3.639 3.960 -0.020 0.000 0.267 406 G HA3 -0.309 3.639 3.960 -0.020 0.000 0.267 406 G C 0.148 175.057 174.900 0.015 0.000 0.975 406 G CA 0.848 45.955 45.100 0.011 0.000 0.644 406 G HN 1.412 nan 8.290 nan 0.000 0.537 407 Y N 2.411 122.673 120.300 -0.063 0.000 2.486 407 Y HA 0.501 5.039 4.550 -0.020 0.000 0.348 407 Y C -1.877 173.964 175.900 -0.099 0.000 1.000 407 Y CA -2.205 55.853 58.100 -0.070 0.000 1.253 407 Y CB 1.163 39.581 38.460 -0.069 0.000 1.140 407 Y HN 0.033 nan 8.280 nan 0.000 0.526 408 P HA -0.041 nan 4.420 nan 0.000 0.260 408 P C -1.149 175.990 177.300 -0.269 0.000 1.185 408 P CA 0.435 63.333 63.100 -0.338 0.000 0.763 408 P CB 0.453 31.974 31.700 -0.298 0.000 0.776 409 V N 5.827 125.527 119.914 -0.357 0.000 2.459 409 V HA 0.407 4.515 4.120 -0.020 0.000 0.295 409 V C -0.318 175.468 176.094 -0.514 0.000 1.029 409 V CA -0.424 61.725 62.300 -0.250 0.000 0.874 409 V CB 0.896 32.655 31.823 -0.106 0.000 0.985 409 V HN 0.397 nan 8.190 nan 0.000 0.438 410 Y N 1.655 121.996 120.300 0.068 0.000 2.598 410 Y HA 0.828 5.366 4.550 -0.020 0.000 0.340 410 Y C 0.525 176.373 175.900 -0.086 0.000 1.038 410 Y CA -0.618 57.538 58.100 0.093 0.000 1.100 410 Y CB 2.451 41.058 38.460 0.244 0.000 1.281 410 Y HN 0.740 nan 8.280 nan 0.000 0.488 411 S N -0.111 115.644 115.700 0.093 0.000 2.636 411 S HA 0.441 4.899 4.470 -0.020 0.000 0.268 411 S C -1.768 172.854 174.600 0.036 0.000 1.159 411 S CA -1.208 56.865 58.200 -0.211 0.000 0.815 411 S CB 1.513 64.620 63.200 -0.156 0.000 1.130 411 S HN 0.497 nan 8.310 nan 0.000 0.471 412 N N 0.140 118.826 118.700 -0.023 0.000 2.841 412 N HA 0.437 5.165 4.740 -0.020 0.000 0.257 412 N C -0.222 175.288 175.510 0.001 0.000 1.396 412 N CA -0.240 52.850 53.050 0.067 0.000 0.823 412 N CB 1.097 39.669 38.487 0.141 0.000 1.162 412 N HN 0.571 nan 8.380 nan 0.000 0.503 413 R N -0.447 120.049 120.500 -0.007 0.000 2.476 413 R HA 0.346 4.674 4.340 -0.020 0.000 0.276 413 R C 1.565 177.858 176.300 -0.012 0.000 0.941 413 R CA 0.052 56.137 56.100 -0.025 0.000 1.088 413 R CB 0.178 30.455 30.300 -0.039 0.000 1.216 413 R HN 0.428 nan 8.270 nan 0.000 0.533 414 G N -0.242 108.559 108.800 0.001 0.000 2.505 414 G HA2 -0.182 3.767 3.960 -0.020 0.000 0.214 414 G HA3 -0.182 3.767 3.960 -0.020 0.000 0.214 414 G C 1.126 176.023 174.900 -0.005 0.000 1.237 414 G CA 0.669 45.769 45.100 0.001 0.000 0.802 414 G HN 0.335 nan 8.290 nan 0.000 0.549 415 A N -0.665 122.151 122.820 -0.007 0.000 2.238 415 A HA 0.467 4.775 4.320 -0.020 0.000 0.210 415 A C 1.467 179.042 177.584 -0.015 0.000 1.179 415 A CA 1.190 53.218 52.037 -0.015 0.000 0.827 415 A CB -0.142 18.840 19.000 -0.030 0.000 0.856 415 A HN 0.865 nan 8.150 nan 0.000 0.488 416 S N -0.729 114.962 115.700 -0.016 0.000 3.614 416 S HA -0.138 4.320 4.470 -0.020 0.000 0.360 416 S C 0.776 175.357 174.600 -0.032 0.000 1.023 416 S CA 0.354 58.539 58.200 -0.025 0.000 1.114 416 S CB -1.920 61.265 63.200 -0.026 0.000 0.907 416 S HN 1.337 nan 8.310 nan 0.000 0.470 417 G N 0.392 109.169 108.800 -0.037 0.000 2.539 417 G HA2 0.555 4.503 3.960 -0.020 0.000 0.258 417 G HA3 0.555 4.503 3.960 -0.020 0.000 0.258 417 G C 0.678 175.500 174.900 -0.130 0.000 1.202 417 G CA -0.433 44.619 45.100 -0.079 0.000 0.851 417 G HN 0.883 nan 8.290 nan 0.000 0.556 418 I N -1.669 118.765 120.570 -0.228 0.000 3.936 418 I HA 0.302 4.460 4.170 -0.020 0.000 0.330 418 I C 0.480 176.249 176.117 -0.581 0.000 1.509 418 I CA -0.366 60.788 61.300 -0.244 0.000 1.126 418 I CB 0.924 38.878 38.000 -0.076 0.000 1.115 418 I HN 0.286 nan 8.210 nan 0.000 0.424 419 D N 1.133 121.054 120.400 -0.797 0.000 2.354 419 D HA 0.148 4.776 4.640 -0.020 0.000 0.209 419 D C 1.347 177.241 176.300 -0.677 0.000 1.015 419 D CA 0.612 53.909 54.000 -1.171 0.000 0.867 419 D CB 0.321 40.566 40.800 -0.925 0.000 0.933 419 D HN 0.383 nan 8.370 nan 0.000 0.520 420 G N 0.338 108.682 108.800 -0.760 0.000 5.077 420 G HA2 0.268 4.216 3.960 -0.020 0.000 0.230 420 G HA3 0.268 4.216 3.960 -0.020 0.000 0.230 420 G C 0.678 175.324 174.900 -0.423 0.000 0.924 420 G CA -0.356 44.179 45.100 -0.941 0.000 0.770 420 G HN 0.135 nan 8.290 nan 0.000 0.512 421 L N -0.074 121.038 121.223 -0.185 0.000 2.179 421 L HA 0.124 4.452 4.340 -0.020 0.000 0.208 421 L C 2.574 179.410 176.870 -0.056 0.000 1.096 421 L CA 0.790 55.657 54.840 0.045 0.000 0.779 421 L CB -0.109 42.046 42.059 0.160 0.000 0.922 421 L HN 0.287 nan 8.230 nan 0.000 0.443 422 L N -1.058 120.103 121.223 -0.105 0.000 2.049 422 L HA -0.073 4.255 4.340 -0.020 0.000 0.203 422 L C 2.862 179.598 176.870 -0.223 0.000 1.074 422 L CA 1.316 56.073 54.840 -0.140 0.000 0.749 422 L CB -1.062 40.945 42.059 -0.087 0.000 0.907 422 L HN 0.303 nan 8.230 nan 0.000 0.439 423 S N -0.671 114.904 115.700 -0.207 0.000 2.383 423 S HA -0.188 4.270 4.470 -0.020 0.000 0.229 423 S C 1.943 176.397 174.600 -0.244 0.000 1.030 423 S CA 1.827 59.893 58.200 -0.223 0.000 1.002 423 S CB -1.018 62.088 63.200 -0.158 0.000 0.829 423 S HN 0.355 nan 8.310 nan 0.000 0.467 424 T N 2.722 117.124 114.554 -0.253 0.000 2.746 424 T HA 0.055 4.393 4.350 -0.020 0.000 0.267 424 T C 2.231 176.569 174.700 -0.603 0.000 1.039 424 T CA 1.422 63.323 62.100 -0.331 0.000 1.142 424 T CB -0.820 67.914 68.868 -0.223 0.000 0.866 424 T HN 0.637 nan 8.240 nan 0.000 0.444 425 A N 1.423 123.752 122.820 -0.819 0.000 1.933 425 A HA 0.148 4.456 4.320 -0.020 0.000 0.218 425 A C 2.650 179.992 177.584 -0.403 0.000 1.175 425 A CA 1.821 53.383 52.037 -0.791 0.000 0.628 425 A CB -1.095 17.545 19.000 -0.601 0.000 0.814 425 A HN 0.505 nan 8.150 nan 0.000 0.444 426 A N -0.402 122.226 122.820 -0.320 0.000 1.908 426 A HA 0.056 4.364 4.320 -0.020 0.000 0.218 426 A C 2.415 179.842 177.584 -0.262 0.000 1.181 426 A CA 2.101 53.992 52.037 -0.244 0.000 0.627 426 A CB -1.403 17.452 19.000 -0.241 0.000 0.818 426 A HN 0.728 nan 8.150 nan 0.000 0.445 427 G N -0.654 107.959 108.800 -0.312 0.000 2.404 427 G HA2 -0.086 3.863 3.960 -0.020 0.000 0.215 427 G HA3 -0.086 3.863 3.960 -0.020 0.000 0.215 427 G C 1.513 176.212 174.900 -0.334 0.000 1.174 427 G CA 1.177 46.072 45.100 -0.341 0.000 0.780 427 G HN 0.327 nan 8.290 nan 0.000 0.537 428 V N 1.675 121.376 119.914 -0.354 0.000 2.324 428 V HA -0.302 3.807 4.120 -0.020 0.000 0.250 428 V C 2.900 178.824 176.094 -0.282 0.000 1.060 428 V CA 2.632 64.706 62.300 -0.377 0.000 1.042 428 V CB -0.609 30.973 31.823 -0.403 0.000 0.650 428 V HN 0.669 nan 8.190 nan 0.000 0.450 429 Q N 0.737 120.417 119.800 -0.200 0.000 2.062 429 Q HA -0.164 4.164 4.340 -0.020 0.000 0.196 429 Q C 2.157 178.100 176.000 -0.096 0.000 0.967 429 Q CA 1.701 57.440 55.803 -0.107 0.000 0.832 429 Q CB -0.583 28.128 28.738 -0.045 0.000 0.899 429 Q HN 0.434 nan 8.270 nan 0.000 0.442 430 R N 0.337 120.765 120.500 -0.120 0.000 2.133 430 R HA -0.161 4.167 4.340 -0.020 0.000 0.247 430 R C 2.315 178.564 176.300 -0.084 0.000 1.151 430 R CA 1.969 58.018 56.100 -0.084 0.000 0.971 430 R CB -0.768 29.450 30.300 -0.136 0.000 0.866 430 R HN 0.521 nan 8.270 nan 0.000 0.447 431 A N -0.416 122.296 122.820 -0.180 0.000 1.898 431 A HA -0.148 4.160 4.320 -0.020 0.000 0.216 431 A C 2.073 179.621 177.584 -0.060 0.000 1.181 431 A CA 1.861 53.801 52.037 -0.162 0.000 0.620 431 A CB -0.424 18.428 19.000 -0.246 0.000 0.819 431 A HN 0.466 nan 8.150 nan 0.000 0.442 432 S N -2.542 113.112 115.700 -0.077 0.000 2.486 432 S HA 0.375 4.833 4.470 -0.020 0.000 0.220 432 S C 1.583 176.177 174.600 -0.010 0.000 1.011 432 S CA 1.134 59.311 58.200 -0.039 0.000 0.921 432 S CB -0.167 63.002 63.200 -0.051 0.000 0.785 432 S HN 1.882 nan 8.310 nan 0.000 0.517 433 G N 1.637 110.433 108.800 -0.007 0.000 2.168 433 G HA2 -0.282 3.666 3.960 -0.020 0.000 0.263 433 G HA3 -0.282 3.666 3.960 -0.020 0.000 0.263 433 G C 0.030 174.937 174.900 0.012 0.000 0.977 433 G CA 0.558 45.666 45.100 0.013 0.000 0.659 433 G HN 0.563 nan 8.290 nan 0.000 0.533 434 K N 0.761 121.161 120.400 0.000 0.000 2.154 434 K HA 0.379 4.687 4.320 -0.020 0.000 0.264 434 K C -2.402 174.211 176.600 0.022 0.000 1.008 434 K CA -1.792 54.493 56.287 -0.003 0.000 0.937 434 K CB 0.781 33.270 32.500 -0.020 0.000 1.002 434 K HN -0.010 nan 8.250 nan 0.000 0.469 435 P HA 0.011 nan 4.420 nan 0.000 0.265 435 P C -0.973 176.375 177.300 0.079 0.000 1.193 435 P CA 0.297 63.421 63.100 0.040 0.000 0.765 435 P CB 0.518 32.128 31.700 -0.150 0.000 0.823 436 T N 3.505 118.207 114.554 0.245 0.000 2.921 436 T HA 0.464 4.802 4.350 -0.020 0.000 0.297 436 T C -0.956 173.997 174.700 0.423 0.000 1.013 436 T CA -0.385 61.872 62.100 0.262 0.000 0.990 436 T CB 0.822 69.790 68.868 0.168 0.000 1.023 436 T HN 0.133 nan 8.240 nan 0.000 0.447 437 L N 3.567 125.036 121.223 0.410 0.000 2.298 437 L HA 0.846 5.174 4.340 -0.020 0.000 0.284 437 L C -0.553 176.515 176.870 0.330 0.000 1.013 437 L CA -0.449 54.651 54.840 0.432 0.000 0.824 437 L CB 0.609 42.938 42.059 0.450 0.000 1.221 437 L HN 0.775 nan 8.230 nan 0.000 0.418 438 A N 6.683 129.670 122.820 0.278 0.000 2.304 438 A HA 0.677 4.986 4.320 -0.020 0.000 0.314 438 A C -0.947 176.755 177.584 0.196 0.000 1.187 438 A CA -0.485 51.722 52.037 0.285 0.000 0.810 438 A CB 0.685 19.836 19.000 0.252 0.000 1.183 438 A HN 0.802 nan 8.150 nan 0.000 0.487 439 I N 3.297 123.967 120.570 0.167 0.000 2.465 439 I HA 0.759 4.917 4.170 -0.020 0.000 0.291 439 I C -1.587 174.564 176.117 0.057 0.000 1.014 439 I CA -0.757 60.600 61.300 0.095 0.000 1.093 439 I CB 1.557 39.613 38.000 0.093 0.000 1.267 439 I HN 0.466 nan 8.210 nan 0.000 0.431 440 V N 6.037 125.965 119.914 0.022 0.000 3.087 440 V HA 0.724 4.832 4.120 -0.020 0.000 0.306 440 V C 0.273 176.351 176.094 -0.026 0.000 1.187 440 V CA -0.205 62.100 62.300 0.009 0.000 0.999 440 V CB 2.219 34.062 31.823 0.033 0.000 1.049 440 V HN 0.887 nan 8.190 nan 0.000 0.431 441 G N 1.504 110.299 108.800 -0.009 0.000 2.588 441 G HA2 0.308 4.256 3.960 -0.020 0.000 0.281 441 G HA3 0.308 4.256 3.960 -0.020 0.000 0.281 441 G C 0.603 175.510 174.900 0.013 0.000 1.236 441 G CA 0.459 45.561 45.100 0.003 0.000 0.969 441 G HN 0.845 nan 8.290 nan 0.000 0.504 442 D N -0.679 119.765 120.400 0.073 0.000 2.120 442 D HA -0.126 4.502 4.640 -0.020 0.000 0.202 442 D C 2.440 178.898 176.300 0.263 0.000 0.972 442 D CA 0.568 54.684 54.000 0.193 0.000 0.837 442 D CB -0.244 40.723 40.800 0.278 0.000 0.989 442 D HN 0.320 nan 8.370 nan 0.000 0.469 443 L N 0.948 122.288 121.223 0.195 0.000 2.079 443 L HA -0.156 4.172 4.340 -0.020 0.000 0.210 443 L C 2.796 179.803 176.870 0.230 0.000 1.081 443 L CA 1.068 56.030 54.840 0.204 0.000 0.752 443 L CB -0.510 41.663 42.059 0.190 0.000 0.896 443 L HN 0.023 nan 8.230 nan 0.000 0.433 444 S N 0.221 116.024 115.700 0.171 0.000 2.353 444 S HA -0.225 4.233 4.470 -0.020 0.000 0.222 444 S C 2.225 176.915 174.600 0.150 0.000 1.035 444 S CA 1.414 59.695 58.200 0.135 0.000 1.025 444 S CB -0.392 62.843 63.200 0.060 0.000 0.902 444 S HN 0.521 nan 8.310 nan 0.000 0.440 445 A N 1.250 124.140 122.820 0.118 0.000 1.940 445 A HA -0.055 4.253 4.320 -0.020 0.000 0.219 445 A C 2.153 179.909 177.584 0.287 0.000 1.176 445 A CA 1.262 53.373 52.037 0.123 0.000 0.631 445 A CB -0.770 18.160 19.000 -0.117 0.000 0.814 445 A HN 0.455 nan 8.150 nan 0.000 0.446 446 L N -2.531 118.904 121.223 0.353 0.000 2.056 446 L HA -0.189 4.139 4.340 -0.020 0.000 0.207 446 L C 2.546 179.552 176.870 0.226 0.000 1.078 446 L CA 1.692 56.704 54.840 0.287 0.000 0.749 446 L CB -0.557 41.631 42.059 0.215 0.000 0.901 446 L HN 0.596 nan 8.230 nan 0.000 0.433 447 Y N 0.341 120.703 120.300 0.103 0.000 2.114 447 Y HA -0.295 4.243 4.550 -0.020 0.000 0.284 447 Y C 1.653 177.586 175.900 0.056 0.000 1.143 447 Y CA 1.550 59.690 58.100 0.068 0.000 1.135 447 Y CB 0.215 38.702 38.460 0.046 0.000 0.980 447 Y HN 0.103 nan 8.280 nan 0.000 0.499 448 D N 0.059 120.627 120.400 0.280 0.000 2.889 448 D HA 0.030 4.658 4.640 -0.020 0.000 0.243 448 D C 1.175 177.549 176.300 0.124 0.000 1.270 448 D CA -0.003 54.085 54.000 0.147 0.000 0.838 448 D CB -0.150 40.656 40.800 0.010 0.000 1.040 448 D HN 0.311 nan 8.370 nan 0.000 0.480 449 L N 1.212 122.540 121.223 0.174 0.000 2.056 449 L HA -0.135 4.193 4.340 -0.020 0.000 0.207 449 L C 1.619 178.578 176.870 0.148 0.000 1.078 449 L CA 1.573 56.526 54.840 0.188 0.000 0.749 449 L CB -0.474 41.723 42.059 0.229 0.000 0.901 449 L HN 0.160 nan 8.230 nan 0.000 0.433 450 N N 0.049 118.863 118.700 0.190 0.000 2.571 450 N HA -0.070 4.658 4.740 -0.020 0.000 0.189 450 N C 1.434 176.989 175.510 0.074 0.000 1.154 450 N CA 1.029 54.222 53.050 0.239 0.000 0.907 450 N CB -0.566 38.200 38.487 0.465 0.000 0.977 450 N HN 0.358 nan 8.380 nan 0.000 0.449 451 A N 0.909 123.719 122.820 -0.018 0.000 2.119 451 A HA 0.044 4.352 4.320 -0.020 0.000 0.217 451 A C 2.090 179.507 177.584 -0.278 0.000 1.153 451 A CA 0.755 52.694 52.037 -0.165 0.000 0.692 451 A CB -0.689 18.228 19.000 -0.138 0.000 0.799 451 A HN 0.505 nan 8.150 nan 0.000 0.458 452 L N -3.402 117.609 121.223 -0.354 0.000 2.376 452 L HA 0.089 4.417 4.340 -0.020 0.000 0.219 452 L C 2.266 178.721 176.870 -0.692 0.000 1.133 452 L CA 1.101 55.666 54.840 -0.458 0.000 0.816 452 L CB -1.117 40.783 42.059 -0.264 0.000 0.933 452 L HN 0.218 nan 8.230 nan 0.000 0.449 453 A N 1.772 124.089 122.820 -0.839 0.000 1.908 453 A HA -0.147 4.161 4.320 -0.020 0.000 0.218 453 A C 2.336 179.848 177.584 -0.119 0.000 1.181 453 A CA 1.862 53.722 52.037 -0.295 0.000 0.627 453 A CB -0.728 18.436 19.000 0.273 0.000 0.818 453 A HN 0.513 nan 8.150 nan 0.000 0.445 454 L N -0.825 120.243 121.223 -0.258 0.000 2.093 454 L HA -0.100 4.229 4.340 -0.020 0.000 0.208 454 L C 2.115 178.897 176.870 -0.147 0.000 1.085 454 L CA 0.726 55.415 54.840 -0.251 0.000 0.755 454 L CB -0.430 41.376 42.059 -0.422 0.000 0.904 454 L HN 0.339 nan 8.230 nan 0.000 0.435 455 L N -0.508 120.622 121.223 -0.155 0.000 2.633 455 L HA -0.119 4.209 4.340 -0.020 0.000 0.235 455 L C 2.312 179.172 176.870 -0.017 0.000 1.163 455 L CA 0.441 55.231 54.840 -0.084 0.000 0.859 455 L CB -0.389 41.621 42.059 -0.082 0.000 0.973 455 L HN 0.197 nan 8.230 nan 0.000 0.451 456 R N -0.592 119.911 120.500 0.005 0.000 2.193 456 R HA -0.012 4.316 4.340 -0.020 0.000 0.213 456 R C 0.801 177.135 176.300 0.056 0.000 1.055 456 R CA 0.453 56.590 56.100 0.063 0.000 0.995 456 R CB 0.081 30.448 30.300 0.111 0.000 0.893 456 R HN 0.262 nan 8.270 nan 0.000 0.459 457 Q N 0.651 120.474 119.800 0.037 0.000 2.394 457 Q HA 0.416 4.744 4.340 -0.020 0.000 0.259 457 Q C -1.729 174.291 176.000 0.033 0.000 1.021 457 Q CA -0.380 55.451 55.803 0.046 0.000 0.805 457 Q CB 1.689 30.462 28.738 0.058 0.000 1.226 457 Q HN -0.107 nan 8.270 nan 0.000 0.476 458 V N 1.983 121.923 119.914 0.044 0.000 2.851 458 V HA 0.219 4.327 4.120 -0.020 0.000 0.307 458 V C 0.203 176.330 176.094 0.056 0.000 1.129 458 V CA -0.170 62.155 62.300 0.041 0.000 0.932 458 V CB 2.391 34.238 31.823 0.040 0.000 1.024 458 V HN 0.854 nan 8.190 nan 0.000 0.426 459 S N 3.012 118.745 115.700 0.055 0.000 2.556 459 S HA 0.690 5.148 4.470 -0.020 0.000 0.216 459 S C 0.229 174.868 174.600 0.064 0.000 0.970 459 S CA 0.392 58.627 58.200 0.058 0.000 0.912 459 S CB 0.430 63.663 63.200 0.055 0.000 0.790 459 S HN 1.586 nan 8.310 nan 0.000 0.504 460 A N 1.463 124.330 122.820 0.079 0.000 2.608 460 A HA 0.722 5.030 4.320 -0.020 0.000 0.292 460 A C -3.236 174.440 177.584 0.153 0.000 1.066 460 A CA -1.687 50.412 52.037 0.103 0.000 0.676 460 A CB 0.493 19.543 19.000 0.084 0.000 1.277 460 A HN 0.136 nan 8.150 nan 0.000 0.413 461 P HA 0.211 nan 4.420 nan 0.000 0.264 461 P C -0.755 176.760 177.300 0.357 0.000 1.183 461 P CA 0.505 63.793 63.100 0.312 0.000 0.763 461 P CB 0.496 32.532 31.700 0.559 0.000 0.807 462 L N 4.190 125.548 121.223 0.224 0.000 2.372 462 L HA 0.371 4.699 4.340 -0.020 0.000 0.274 462 L C -0.834 176.086 176.870 0.084 0.000 0.988 462 L CA -0.914 54.050 54.840 0.206 0.000 0.833 462 L CB 1.757 43.885 42.059 0.114 0.000 1.236 462 L HN -0.001 nan 8.230 nan 0.000 0.410 463 V N 5.981 125.943 119.914 0.080 0.000 2.364 463 V HA 0.241 4.349 4.120 -0.020 0.000 0.272 463 V C -0.092 176.040 176.094 0.063 0.000 1.036 463 V CA -0.414 61.856 62.300 -0.051 0.000 0.880 463 V CB 1.375 33.078 31.823 -0.201 0.000 0.991 463 V HN 0.530 nan 8.190 nan 0.000 0.460 464 L N 7.923 129.151 121.223 0.009 0.000 2.259 464 L HA 0.531 4.859 4.340 -0.020 0.000 0.288 464 L C -0.215 176.638 176.870 -0.029 0.000 1.051 464 L CA 0.341 55.191 54.840 0.016 0.000 0.824 464 L CB 0.596 42.657 42.059 0.002 0.000 1.206 464 L HN 0.500 nan 8.230 nan 0.000 0.429 465 I N 6.042 126.611 120.570 -0.002 0.000 2.301 465 I HA 0.218 4.376 4.170 -0.020 0.000 0.292 465 I C -0.417 175.656 176.117 -0.075 0.000 1.046 465 I CA -0.640 60.633 61.300 -0.045 0.000 1.282 465 I CB 1.208 39.215 38.000 0.013 0.000 1.409 465 I HN 0.234 nan 8.210 nan 0.000 0.484 466 V N 7.851 127.678 119.914 -0.144 0.000 2.334 466 V HA 0.128 4.236 4.120 -0.020 0.000 0.267 466 V C 0.363 176.376 176.094 -0.135 0.000 1.040 466 V CA -0.638 61.524 62.300 -0.230 0.000 0.866 466 V CB 1.143 32.627 31.823 -0.566 0.000 1.019 466 V HN 0.392 nan 8.190 nan 0.000 0.468 467 V N 5.027 124.892 119.914 -0.081 0.000 2.397 467 V HA 0.137 4.245 4.120 -0.020 0.000 0.262 467 V C 0.620 176.713 176.094 -0.002 0.000 1.047 467 V CA -0.052 62.224 62.300 -0.040 0.000 1.003 467 V CB 0.518 32.325 31.823 -0.026 0.000 1.037 467 V HN 0.861 nan 8.190 nan 0.000 0.480 468 N N 5.031 123.758 118.700 0.044 0.000 2.678 468 N HA 0.162 4.890 4.740 -0.020 0.000 0.231 468 N C 0.453 176.022 175.510 0.098 0.000 1.038 468 N CA -0.536 52.590 53.050 0.127 0.000 0.932 468 N CB 0.550 39.192 38.487 0.258 0.000 1.176 468 N HN 0.691 nan 8.380 nan 0.000 0.511 469 N N 2.222 120.967 118.700 0.075 0.000 2.273 469 N HA 0.078 4.807 4.740 -0.020 0.000 0.231 469 N C -0.382 175.166 175.510 0.063 0.000 1.134 469 N CA -0.411 52.674 53.050 0.058 0.000 0.856 469 N CB -0.388 38.123 38.487 0.040 0.000 1.068 469 N HN 0.314 nan 8.380 nan 0.000 0.510 470 N N 0.440 119.182 118.700 0.071 0.000 2.641 470 N HA -0.109 4.619 4.740 -0.020 0.000 0.267 470 N C -0.096 175.452 175.510 0.064 0.000 1.087 470 N CA 1.459 54.541 53.050 0.052 0.000 0.731 470 N CB -1.321 37.180 38.487 0.023 0.000 0.886 470 N HN 0.962 nan 8.380 nan 0.000 0.547 471 G N -1.240 107.614 108.800 0.089 0.000 2.406 471 G HA2 0.404 4.352 3.960 -0.020 0.000 0.680 471 G HA3 0.404 4.352 3.960 -0.020 0.000 0.680 471 G C 0.193 175.179 174.900 0.143 0.000 1.338 471 G CA 0.065 45.233 45.100 0.113 0.000 0.941 471 G HN 0.978 nan 8.290 nan 0.000 0.633 472 G N -0.096 108.831 108.800 0.212 0.000 2.690 472 G HA2 0.423 4.371 3.960 -0.020 0.000 0.294 472 G HA3 0.423 4.371 3.960 -0.020 0.000 0.294 472 G C 0.855 175.886 174.900 0.218 0.000 0.793 472 G CA 0.037 45.282 45.100 0.241 0.000 1.818 472 G HN 0.560 nan 8.290 nan 0.000 0.515 473 Q N 1.931 121.784 119.800 0.088 0.000 2.482 473 Q HA 0.003 4.331 4.340 -0.020 0.000 0.209 473 Q C 2.247 178.235 176.000 -0.021 0.000 0.961 473 Q CA -0.058 55.784 55.803 0.064 0.000 0.945 473 Q CB 0.130 28.894 28.738 0.043 0.000 1.012 473 Q HN 0.835 nan 8.270 nan 0.000 0.515 474 I N -0.146 120.326 120.570 -0.164 0.000 2.423 474 I HA -0.267 3.891 4.170 -0.020 0.000 0.254 474 I C 1.105 177.046 176.117 -0.294 0.000 1.151 474 I CA 1.080 62.200 61.300 -0.300 0.000 1.421 474 I CB 0.009 37.722 38.000 -0.478 0.000 1.079 474 I HN 0.041 nan 8.210 nan 0.000 0.431 475 F N -0.536 119.440 119.950 0.045 0.000 2.710 475 F HA -0.024 4.491 4.527 -0.020 0.000 0.298 475 F C 2.375 178.155 175.800 -0.034 0.000 1.137 475 F CA 0.341 58.352 58.000 0.019 0.000 1.444 475 F CB -0.209 38.853 39.000 0.103 0.000 1.111 475 F HN -0.026 nan 8.300 nan 0.000 0.580 476 S N 0.126 115.895 115.700 0.114 0.000 2.446 476 S HA -0.045 4.413 4.470 -0.020 0.000 0.225 476 S C 1.848 176.459 174.600 0.019 0.000 1.016 476 S CA 0.261 58.493 58.200 0.054 0.000 0.943 476 S CB -0.153 63.077 63.200 0.050 0.000 0.786 476 S HN 0.258 nan 8.310 nan 0.000 0.508 477 L N 1.621 122.843 121.223 -0.003 0.000 2.072 477 L HA 0.227 4.555 4.340 -0.020 0.000 0.205 477 L C 0.340 177.201 176.870 -0.015 0.000 1.079 477 L CA 1.303 56.131 54.840 -0.019 0.000 0.752 477 L CB -0.423 41.609 42.059 -0.044 0.000 0.906 477 L HN 0.209 nan 8.230 nan 0.000 0.436 478 L N 2.003 123.222 121.223 -0.008 0.000 2.380 478 L HA 0.227 4.555 4.340 -0.020 0.000 0.273 478 L C -1.604 175.265 176.870 -0.001 0.000 1.138 478 L CA -1.613 53.233 54.840 0.010 0.000 0.832 478 L CB 0.202 42.294 42.059 0.056 0.000 1.124 478 L HN 0.065 nan 8.230 nan 0.000 0.454 479 P HA -0.010 nan 4.420 nan 0.000 0.238 479 P C 0.021 177.286 177.300 -0.059 0.000 1.649 479 P CA -0.178 62.907 63.100 -0.024 0.000 0.960 479 P CB -0.925 30.769 31.700 -0.011 0.000 1.911 480 T N -0.744 113.740 114.554 -0.116 0.000 2.849 480 T HA 0.452 4.790 4.350 -0.020 0.000 0.284 480 T C -2.229 172.365 174.700 -0.178 0.000 1.004 480 T CA -1.977 59.965 62.100 -0.264 0.000 1.021 480 T CB 0.227 68.715 68.868 -0.633 0.000 1.013 480 T HN 0.053 nan 8.240 nan 0.000 0.527 481 P HA 0.266 nan 4.420 nan 0.000 0.284 481 P C 0.502 177.787 177.300 -0.026 0.000 1.253 481 P CA -0.473 62.594 63.100 -0.056 0.000 0.800 481 P CB 1.325 33.017 31.700 -0.013 0.000 0.961 482 Q N 2.709 122.508 119.800 -0.002 0.000 1.967 482 Q HA -0.226 4.103 4.340 -0.020 0.000 0.210 482 Q C 2.066 178.090 176.000 0.041 0.000 1.005 482 Q CA 3.201 59.013 55.803 0.015 0.000 0.862 482 Q CB -1.031 27.717 28.738 0.017 0.000 0.939 482 Q HN 0.598 nan 8.270 nan 0.000 0.417 483 S N -0.235 115.497 115.700 0.052 0.000 2.481 483 S HA -0.089 4.369 4.470 -0.020 0.000 0.231 483 S C 0.982 175.656 174.600 0.123 0.000 0.996 483 S CA 1.057 59.300 58.200 0.072 0.000 0.942 483 S CB -0.207 63.030 63.200 0.062 0.000 0.768 483 S HN 0.594 nan 8.310 nan 0.000 0.520 484 E N 0.979 121.279 120.200 0.167 0.000 2.558 484 E HA 0.206 4.544 4.350 -0.020 0.000 0.205 484 E C 1.491 178.305 176.600 0.356 0.000 1.006 484 E CA -0.307 56.285 56.400 0.320 0.000 0.961 484 E CB -0.142 29.795 29.700 0.395 0.000 1.044 484 E HN 0.617 nan 8.360 nan 0.000 0.465 485 R N 1.931 122.547 120.500 0.193 0.000 2.073 485 R HA -0.140 4.188 4.340 -0.020 0.000 0.229 485 R C 2.184 178.585 176.300 0.169 0.000 1.120 485 R CA 1.827 58.021 56.100 0.156 0.000 0.967 485 R CB 0.028 30.345 30.300 0.028 0.000 0.862 485 R HN 0.177 nan 8.270 nan 0.000 0.436 486 E N 0.078 120.338 120.200 0.099 0.000 2.107 486 E HA -0.197 4.141 4.350 -0.020 0.000 0.191 486 E C 2.104 178.691 176.600 -0.022 0.000 0.982 486 E CA 1.079 57.508 56.400 0.047 0.000 0.809 486 E CB -0.045 29.668 29.700 0.021 0.000 0.756 486 E HN 0.266 nan 8.360 nan 0.000 0.459 487 R N -1.211 119.231 120.500 -0.098 0.000 2.140 487 R HA 0.055 4.383 4.340 -0.020 0.000 0.213 487 R C 0.876 176.852 176.300 -0.540 0.000 1.059 487 R CA 0.907 56.774 56.100 -0.389 0.000 1.000 487 R CB 0.067 29.982 30.300 -0.641 0.000 0.910 487 R HN 0.254 nan 8.270 nan 0.000 0.455 488 F N -1.842 118.101 119.950 -0.012 0.000 2.661 488 F HA 0.247 4.762 4.527 -0.020 0.000 0.306 488 F C 0.341 175.870 175.800 -0.452 0.000 1.094 488 F CA -0.210 57.678 58.000 -0.185 0.000 1.254 488 F CB 0.733 39.619 39.000 -0.189 0.000 1.040 488 F HN -0.012 nan 8.300 nan 0.000 0.562 489 Y N -1.637 118.601 120.300 -0.103 0.000 3.147 489 Y HA 0.279 4.817 4.550 -0.020 0.000 0.219 489 Y C 1.038 176.827 175.900 -0.185 0.000 1.021 489 Y CA -0.597 57.282 58.100 -0.368 0.000 1.440 489 Y CB 0.128 38.352 38.460 -0.392 0.000 1.472 489 Y HN -0.357 nan 8.280 nan 0.000 0.408 493 Q N 0.309 120.100 119.800 -0.016 0.000 2.281 493 Q HA 0.112 4.440 4.340 -0.020 0.000 0.215 493 Q C -0.143 175.809 176.000 -0.079 0.000 0.867 493 Q CA 0.010 55.786 55.803 -0.044 0.000 0.940 493 Q CB 0.260 28.978 28.738 -0.033 0.000 1.111 493 Q HN 0.503 nan 8.270 nan 0.000 0.513 494 N N 0.479 119.128 118.700 -0.086 0.000 2.714 494 N HA -0.161 4.567 4.740 -0.020 0.000 0.253 494 N C -0.900 174.494 175.510 -0.194 0.000 1.024 494 N CA 0.480 53.456 53.050 -0.122 0.000 0.726 494 N CB -1.325 37.115 38.487 -0.080 0.000 0.908 494 N HN 0.077 nan 8.380 nan 0.000 0.542 495 V N 0.156 119.900 119.914 -0.283 0.000 3.102 495 V HA 0.572 4.680 4.120 -0.020 0.000 0.312 495 V C -0.394 175.386 176.094 -0.522 0.000 1.135 495 V CA -0.677 61.419 62.300 -0.341 0.000 1.022 495 V CB 2.585 34.218 31.823 -0.316 0.000 1.056 495 V HN 0.393 nan 8.190 nan 0.000 0.436 496 H N 2.323 121.256 119.070 -0.228 0.000 2.907 496 H HA 0.485 5.029 4.556 -0.020 0.000 0.361 496 H C -0.757 174.364 175.328 -0.345 0.000 1.194 496 H CA -0.390 55.576 56.048 -0.137 0.000 1.152 496 H CB 1.921 31.695 29.762 0.020 0.000 1.867 496 H HN 0.589 nan 8.280 nan 0.000 0.561 497 F N -0.428 119.635 119.950 0.188 0.000 2.728 497 F HA 0.083 4.598 4.527 -0.020 0.000 0.314 497 F C 2.232 177.895 175.800 -0.229 0.000 1.094 497 F CA -0.078 57.973 58.000 0.085 0.000 1.217 497 F CB 0.585 39.710 39.000 0.208 0.000 1.056 497 F HN 0.557 nan 8.300 nan 0.000 0.577 498 E N 0.506 120.347 120.200 -0.598 0.000 2.097 498 E HA -0.268 4.070 4.350 -0.020 0.000 0.196 498 E C 1.696 177.951 176.600 -0.575 0.000 1.000 498 E CA 1.779 57.401 56.400 -1.296 0.000 0.804 498 E CB -0.199 28.829 29.700 -1.120 0.000 0.740 498 E HN 0.468 nan 8.360 nan 0.000 0.454 499 H N -0.458 118.458 119.070 -0.258 0.000 2.428 499 H HA 0.011 4.555 4.556 -0.020 0.000 0.296 499 H C 2.042 177.319 175.328 -0.085 0.000 1.062 499 H CA 1.231 57.188 56.048 -0.152 0.000 1.350 499 H CB -0.073 29.615 29.762 -0.122 0.000 1.403 499 H HN 0.346 nan 8.280 nan 0.000 0.533 500 A N 1.176 124.057 122.820 0.102 0.000 1.877 500 A HA -0.084 4.224 4.320 -0.020 0.000 0.216 500 A C 2.705 180.447 177.584 0.263 0.000 1.186 500 A CA 1.646 53.809 52.037 0.211 0.000 0.620 500 A CB -0.817 18.373 19.000 0.317 0.000 0.822 500 A HN 0.412 nan 8.150 nan 0.000 0.443 501 A N 0.060 122.988 122.820 0.180 0.000 1.908 501 A HA 0.294 4.602 4.320 -0.020 0.000 0.218 501 A C 1.795 179.445 177.584 0.111 0.000 1.181 501 A CA 1.495 53.642 52.037 0.184 0.000 0.627 501 A CB -1.218 17.878 19.000 0.161 0.000 0.818 501 A HN 1.159 nan 8.150 nan 0.000 0.445 505 E N 1.455 121.732 120.200 0.127 0.000 2.199 505 E HA -0.204 4.134 4.350 -0.020 0.000 0.208 505 E C -0.738 175.928 176.600 0.110 0.000 1.310 505 E CA 0.460 56.914 56.400 0.089 0.000 0.709 505 E CB -1.186 28.556 29.700 0.070 0.000 1.127 505 E HN 0.414 nan 8.360 nan 0.000 0.354 506 L N 0.329 121.632 121.223 0.133 0.000 2.325 506 L HA 0.385 4.713 4.340 -0.020 0.000 0.278 506 L C 0.772 177.701 176.870 0.099 0.000 1.023 506 L CA -0.959 53.953 54.840 0.120 0.000 0.811 506 L CB 1.252 43.400 42.059 0.148 0.000 1.249 506 L HN -0.029 nan 8.230 nan 0.000 0.431 507 K N 1.703 122.144 120.400 0.069 0.000 2.448 507 K HA 0.094 4.402 4.320 -0.020 0.000 0.278 507 K C -1.190 175.453 176.600 0.071 0.000 1.009 507 K CA 0.350 56.656 56.287 0.032 0.000 0.995 507 K CB 0.453 32.961 32.500 0.013 0.000 0.917 507 K HN 0.358 nan 8.250 nan 0.000 0.481 508 Y N 2.861 123.063 120.300 -0.163 0.000 2.425 508 Y HA 0.293 4.832 4.550 -0.020 0.000 0.344 508 Y C -0.959 174.755 175.900 -0.310 0.000 0.969 508 Y CA -0.712 57.306 58.100 -0.136 0.000 1.052 508 Y CB 1.363 39.775 38.460 -0.081 0.000 1.215 508 Y HN 0.564 nan 8.280 nan 0.000 0.451 509 H N 5.265 123.844 119.070 -0.817 0.000 2.771 509 H HA 0.401 4.945 4.556 -0.020 0.000 0.361 509 H C -1.019 173.789 175.328 -0.866 0.000 1.108 509 H CA -0.926 54.734 56.048 -0.646 0.000 1.201 509 H CB 2.358 31.865 29.762 -0.424 0.000 1.681 509 H HN 0.651 nan 8.280 nan 0.000 0.534 510 R N 3.445 123.695 120.500 -0.417 0.000 2.724 510 R HA 0.230 4.558 4.340 -0.020 0.000 0.284 510 R C -2.566 173.669 176.300 -0.108 0.000 1.481 510 R CA -1.603 54.349 56.100 -0.248 0.000 1.652 510 R CB 0.298 30.546 30.300 -0.087 0.000 1.175 510 R HN 0.356 nan 8.270 nan 0.000 0.613 511 P HA -0.032 nan 4.420 nan 0.000 0.265 511 P C -0.273 176.992 177.300 -0.058 0.000 1.193 511 P CA 0.093 63.145 63.100 -0.080 0.000 0.765 511 P CB 1.117 32.775 31.700 -0.071 0.000 0.823 512 Q N 1.398 121.074 119.800 -0.207 0.000 2.396 512 Q HA 0.066 4.394 4.340 -0.020 0.000 0.209 512 Q C 0.450 175.936 176.000 -0.857 0.000 0.906 512 Q CA 0.833 56.452 55.803 -0.306 0.000 0.927 512 Q CB 0.021 28.634 28.738 -0.208 0.000 1.069 512 Q HN 0.728 nan 8.270 nan 0.000 0.523 513 N N -3.181 114.861 118.700 -1.097 0.000 3.106 513 N HA 0.106 4.834 4.740 -0.020 0.000 0.253 513 N C -0.367 174.592 175.510 -0.917 0.000 1.506 513 N CA -0.759 51.367 53.050 -1.540 0.000 0.876 513 N CB -0.413 37.654 38.487 -0.700 0.000 1.452 513 N HN -0.123 nan 8.380 nan 0.000 0.542 514 W N -0.870 120.254 121.300 -0.294 0.000 2.363 514 W HA -0.123 4.525 4.660 -0.020 0.000 0.296 514 W C 2.412 178.963 176.519 0.052 0.000 1.212 514 W CA 1.226 58.629 57.345 0.096 0.000 1.260 514 W CB -0.166 29.409 29.460 0.192 0.000 1.131 514 W HN 0.741 nan 8.180 nan 0.000 0.530 515 Q N 1.371 121.285 119.800 0.189 0.000 2.084 515 Q HA -0.223 4.106 4.340 -0.020 0.000 0.202 515 Q C 1.657 177.683 176.000 0.043 0.000 0.978 515 Q CA 2.189 58.062 55.803 0.115 0.000 0.844 515 Q CB -0.633 28.142 28.738 0.062 0.000 0.898 515 Q HN 0.374 nan 8.270 nan 0.000 0.426 516 E N -0.352 119.818 120.200 -0.049 0.000 2.051 516 E HA -0.157 4.181 4.350 -0.020 0.000 0.192 516 E C 1.918 178.457 176.600 -0.103 0.000 0.991 516 E CA 1.138 57.484 56.400 -0.090 0.000 0.799 516 E CB -0.229 29.382 29.700 -0.148 0.000 0.748 516 E HN 0.398 nan 8.360 nan 0.000 0.449 517 L N 1.537 122.727 121.223 -0.055 0.000 2.042 517 L HA -0.209 4.119 4.340 -0.020 0.000 0.210 517 L C 1.875 178.663 176.870 -0.136 0.000 1.076 517 L CA 1.868 56.632 54.840 -0.128 0.000 0.749 517 L CB -0.186 41.917 42.059 0.073 0.000 0.893 517 L HN 0.039 nan 8.230 nan 0.000 0.432 518 E N -1.096 119.173 120.200 0.115 0.000 2.077 518 E HA -0.199 4.139 4.350 -0.020 0.000 0.193 518 E C 1.948 178.617 176.600 0.116 0.000 0.989 518 E CA 1.865 58.410 56.400 0.242 0.000 0.800 518 E CB -0.159 29.716 29.700 0.291 0.000 0.746 518 E HN 0.572 nan 8.360 nan 0.000 0.452 519 T N 0.628 115.185 114.554 0.005 0.000 2.708 519 T HA -0.190 4.149 4.350 -0.020 0.000 0.266 519 T C 1.975 176.550 174.700 -0.208 0.000 1.037 519 T CA 1.200 63.269 62.100 -0.051 0.000 1.146 519 T CB -0.335 68.506 68.868 -0.045 0.000 0.865 519 T HN 0.270 nan 8.240 nan 0.000 0.435 520 A N 1.146 123.700 122.820 -0.443 0.000 1.892 520 A HA -0.089 4.219 4.320 -0.020 0.000 0.218 520 A C 1.989 179.157 177.584 -0.692 0.000 1.188 520 A CA 1.583 53.051 52.037 -0.947 0.000 0.631 520 A CB -1.079 17.266 19.000 -1.092 0.000 0.822 520 A HN 0.437 nan 8.150 nan 0.000 0.447 521 F N 0.081 119.795 119.950 -0.394 0.000 2.102 521 F HA -0.088 4.427 4.527 -0.020 0.000 0.298 521 F C 2.841 178.463 175.800 -0.298 0.000 1.105 521 F CA 0.841 58.587 58.000 -0.423 0.000 1.239 521 F CB -0.870 38.047 39.000 -0.138 0.000 0.991 521 F HN 0.259 nan 8.300 nan 0.000 0.474 522 A N -0.373 122.513 122.820 0.109 0.000 1.940 522 A HA -0.274 4.034 4.320 -0.020 0.000 0.219 522 A C 1.983 179.615 177.584 0.079 0.000 1.176 522 A CA 2.240 54.366 52.037 0.148 0.000 0.631 522 A CB -0.991 18.078 19.000 0.116 0.000 0.814 522 A HN 0.386 nan 8.150 nan 0.000 0.446 523 D N -0.453 119.931 120.400 -0.026 0.000 2.103 523 D HA 0.025 4.653 4.640 -0.020 0.000 0.199 523 D C 2.131 178.421 176.300 -0.017 0.000 0.978 523 D CA 1.633 55.631 54.000 -0.004 0.000 0.829 523 D CB -0.331 40.471 40.800 0.004 0.000 0.981 523 D HN 0.298 nan 8.370 nan 0.000 0.464 524 A N 0.027 122.748 122.820 -0.166 0.000 1.883 524 A HA -0.160 4.148 4.320 -0.020 0.000 0.217 524 A C 2.238 179.770 177.584 -0.087 0.000 1.186 524 A CA 1.526 53.424 52.037 -0.232 0.000 0.624 524 A CB -1.539 17.139 19.000 -0.537 0.000 0.822 524 A HN 0.532 nan 8.150 nan 0.000 0.444 525 W N -0.537 120.828 121.300 0.110 0.000 2.721 525 W HA 0.026 4.674 4.660 -0.020 0.000 0.245 525 W C 2.213 178.778 176.519 0.075 0.000 1.276 525 W CA 0.295 57.699 57.345 0.098 0.000 1.342 525 W CB 0.009 29.529 29.460 0.100 0.000 1.135 525 W HN 0.257 nan 8.180 nan 0.000 0.654 526 R N -0.548 120.103 120.500 0.250 0.000 2.280 526 R HA 0.048 4.376 4.340 -0.020 0.000 0.207 526 R C 0.501 176.884 176.300 0.140 0.000 1.043 526 R CA 0.716 56.919 56.100 0.172 0.000 1.006 526 R CB -0.021 30.352 30.300 0.122 0.000 0.885 526 R HN -0.172 nan 8.270 nan 0.000 0.467 527 T N 0.256 114.898 114.554 0.147 0.000 2.956 527 T HA 0.230 4.568 4.350 -0.020 0.000 0.312 527 T C -2.807 171.966 174.700 0.123 0.000 1.151 527 T CA -1.665 60.503 62.100 0.112 0.000 1.024 527 T CB 1.995 70.915 68.868 0.087 0.000 1.140 527 T HN -0.166 nan 8.240 nan 0.000 0.473 528 P HA 0.240 nan 4.420 nan 0.000 0.226 528 P C -0.466 176.888 177.300 0.089 0.000 1.783 528 P CA -0.091 63.070 63.100 0.102 0.000 0.980 528 P CB -0.878 30.872 31.700 0.083 0.000 1.967 529 T N -2.743 111.866 114.554 0.092 0.000 2.864 529 T HA 0.428 4.766 4.350 -0.020 0.000 0.299 529 T C -0.307 174.433 174.700 0.067 0.000 1.166 529 T CA -0.576 61.569 62.100 0.074 0.000 1.007 529 T CB 1.020 69.928 68.868 0.067 0.000 1.219 529 T HN -0.115 nan 8.240 nan 0.000 0.506 530 T N 2.351 116.938 114.554 0.055 0.000 2.869 530 T HA 0.532 4.870 4.350 -0.020 0.000 0.295 530 T C -0.211 174.509 174.700 0.034 0.000 0.987 530 T CA -0.155 61.970 62.100 0.041 0.000 1.109 530 T CB 0.778 69.665 68.868 0.031 0.000 0.932 530 T HN 0.749 nan 8.240 nan 0.000 0.518 531 T N 2.960 117.514 114.554 0.001 0.000 2.812 531 T HA 0.434 4.772 4.350 -0.020 0.000 0.282 531 T C -0.188 174.502 174.700 -0.016 0.000 0.990 531 T CA -0.521 61.575 62.100 -0.006 0.000 0.960 531 T CB 1.034 69.866 68.868 -0.061 0.000 0.948 531 T HN 0.335 nan 8.240 nan 0.000 0.438 532 V N 5.493 125.433 119.914 0.044 0.000 2.432 532 V HA 0.454 4.562 4.120 -0.020 0.000 0.275 532 V C 0.008 176.050 176.094 -0.086 0.000 1.043 532 V CA -0.494 61.835 62.300 0.049 0.000 0.925 532 V CB 0.827 32.790 31.823 0.233 0.000 0.985 532 V HN 0.773 nan 8.190 nan 0.000 0.466 533 I N 4.459 124.931 120.570 -0.163 0.000 2.437 533 I HA 0.371 4.530 4.170 -0.020 0.000 0.279 533 I C 0.380 176.369 176.117 -0.213 0.000 1.028 533 I CA -0.167 60.964 61.300 -0.282 0.000 1.142 533 I CB 1.319 39.088 38.000 -0.385 0.000 1.266 533 I HN 0.686 nan 8.210 nan 0.000 0.461 537 V N 3.622 123.547 119.914 0.019 0.000 2.735 537 V HA 0.552 4.660 4.120 -0.020 0.000 0.310 537 V C -0.011 176.097 176.094 0.023 0.000 1.061 537 V CA -0.938 61.354 62.300 -0.013 0.000 0.913 537 V CB 2.570 34.353 31.823 -0.067 0.000 1.005 537 V HN 0.894 nan 8.190 nan 0.000 0.428 538 N N 3.472 122.188 118.700 0.026 0.000 2.411 538 N HA -0.041 4.687 4.740 -0.020 0.000 0.261 538 N C 0.957 176.485 175.510 0.031 0.000 1.248 538 N CA 0.293 53.363 53.050 0.034 0.000 0.885 538 N CB 0.619 39.126 38.487 0.034 0.000 1.062 538 N HN 0.880 nan 8.380 nan 0.000 0.471 539 D N 1.198 121.619 120.400 0.036 0.000 2.248 539 D HA -0.257 4.372 4.640 -0.020 0.000 0.189 539 D C 1.098 177.419 176.300 0.034 0.000 1.011 539 D CA 2.096 56.119 54.000 0.039 0.000 0.868 539 D CB -0.528 40.297 40.800 0.042 0.000 0.931 539 D HN 0.472 nan 8.370 nan 0.000 0.449 540 T N -1.438 113.135 114.554 0.031 0.000 3.023 540 T HA 0.056 4.394 4.350 -0.020 0.000 0.253 540 T C 0.814 175.528 174.700 0.023 0.000 1.038 540 T CA 0.184 62.301 62.100 0.028 0.000 0.962 540 T CB -0.100 68.785 68.868 0.030 0.000 1.018 540 T HN -0.023 nan 8.240 nan 0.000 0.521 541 D N 1.297 121.711 120.400 0.024 0.000 2.092 541 D HA -0.031 4.597 4.640 -0.020 0.000 0.193 541 D C 2.267 178.580 176.300 0.021 0.000 0.994 541 D CA 1.534 55.548 54.000 0.024 0.000 0.828 541 D CB -0.833 39.983 40.800 0.028 0.000 0.963 541 D HN 0.504 nan 8.370 nan 0.000 0.450 542 G N 0.821 109.631 108.800 0.017 0.000 2.469 542 G HA2 -0.261 3.687 3.960 -0.020 0.000 0.219 542 G HA3 -0.261 3.687 3.960 -0.020 0.000 0.219 542 G C 1.713 176.618 174.900 0.008 0.000 1.150 542 G CA 1.686 46.795 45.100 0.014 0.000 0.763 542 G HN 0.429 nan 8.290 nan 0.000 0.561 543 A N 0.171 122.994 122.820 0.005 0.000 1.902 543 A HA -0.064 4.244 4.320 -0.020 0.000 0.217 543 A C 2.359 179.945 177.584 0.003 0.000 1.181 543 A CA 1.944 53.981 52.037 -0.001 0.000 0.623 543 A CB -0.423 18.577 19.000 0.000 0.000 0.818 543 A HN 0.469 nan 8.150 nan 0.000 0.443 544 Q N -0.943 118.863 119.800 0.010 0.000 2.079 544 Q HA -0.117 4.211 4.340 -0.020 0.000 0.200 544 Q C 2.178 178.186 176.000 0.012 0.000 0.974 544 Q CA 1.864 57.674 55.803 0.012 0.000 0.840 544 Q CB -0.424 28.325 28.738 0.017 0.000 0.898 544 Q HN 0.660 nan 8.270 nan 0.000 0.430 545 T N 1.628 116.191 114.554 0.014 0.000 2.759 545 T HA -0.164 4.174 4.350 -0.020 0.000 0.269 545 T C 1.737 176.440 174.700 0.005 0.000 1.042 545 T CA 1.091 63.199 62.100 0.014 0.000 1.140 545 T CB -0.210 68.670 68.868 0.021 0.000 0.864 545 T HN 0.138 nan 8.240 nan 0.000 0.455 546 L N 0.765 121.989 121.223 0.001 0.000 2.072 546 L HA 0.016 4.344 4.340 -0.020 0.000 0.205 546 L C 2.450 179.314 176.870 -0.009 0.000 1.079 546 L CA 1.679 56.515 54.840 -0.008 0.000 0.752 546 L CB -0.547 41.505 42.059 -0.013 0.000 0.906 546 L HN 0.175 nan 8.230 nan 0.000 0.436 547 Q N -1.012 118.785 119.800 -0.005 0.000 2.119 547 Q HA -0.230 4.098 4.340 -0.020 0.000 0.201 547 Q C 2.247 178.250 176.000 0.005 0.000 0.972 547 Q CA 1.886 57.687 55.803 -0.003 0.000 0.847 547 Q CB -0.108 28.631 28.738 0.000 0.000 0.903 547 Q HN 0.633 nan 8.270 nan 0.000 0.433 548 Q N 0.252 120.058 119.800 0.011 0.000 2.020 548 Q HA -0.169 4.159 4.340 -0.020 0.000 0.202 548 Q C 2.141 178.152 176.000 0.018 0.000 0.982 548 Q CA 1.267 57.081 55.803 0.019 0.000 0.838 548 Q CB -0.143 28.606 28.738 0.019 0.000 0.899 548 Q HN 0.352 nan 8.270 nan 0.000 0.423 549 L N 0.120 121.347 121.223 0.006 0.000 2.079 549 L HA -0.236 4.092 4.340 -0.020 0.000 0.210 549 L C 2.354 179.224 176.870 0.000 0.000 1.081 549 L CA 0.643 55.484 54.840 0.002 0.000 0.752 549 L CB -0.357 41.695 42.059 -0.011 0.000 0.896 549 L HN 0.242 nan 8.230 nan 0.000 0.433 550 L N -0.359 120.858 121.223 -0.010 0.000 1.989 550 L HA -0.222 4.106 4.340 -0.020 0.000 0.211 550 L C 2.721 179.571 176.870 -0.032 0.000 1.071 550 L CA 1.962 56.787 54.840 -0.025 0.000 0.749 550 L CB -0.575 41.465 42.059 -0.031 0.000 0.890 550 L HN 0.203 nan 8.230 nan 0.000 0.431 551 A N -1.326 121.486 122.820 -0.013 0.000 1.883 551 A HA -0.331 3.977 4.320 -0.020 0.000 0.217 551 A C 2.258 179.867 177.584 0.042 0.000 1.186 551 A CA 2.095 54.128 52.037 -0.006 0.000 0.624 551 A CB -0.807 18.233 19.000 0.066 0.000 0.822 551 A HN 0.605 nan 8.150 nan 0.000 0.444 552 Q N -0.481 119.367 119.800 0.081 0.000 2.014 552 Q HA -0.175 4.153 4.340 -0.020 0.000 0.207 552 Q C 2.006 178.053 176.000 0.079 0.000 0.993 552 Q CA 2.418 58.287 55.803 0.109 0.000 0.850 552 Q CB -0.272 28.502 28.738 0.059 0.000 0.916 552 Q HN 0.406 nan 8.270 nan 0.000 0.417 553 V N 1.020 120.953 119.914 0.030 0.000 2.594 553 V HA -0.217 3.891 4.120 -0.020 0.000 0.253 553 V C 2.371 178.467 176.094 0.005 0.000 1.069 553 V CA 1.746 64.064 62.300 0.029 0.000 1.082 553 V CB -0.582 31.262 31.823 0.036 0.000 0.680 553 V HN 0.552 nan 8.190 nan 0.000 0.469 554 S N -0.661 114.994 115.700 -0.075 0.000 2.474 554 S HA -0.193 4.265 4.470 -0.020 0.000 0.235 554 S C 1.551 176.030 174.600 -0.203 0.000 0.997 554 S CA 1.324 59.426 58.200 -0.164 0.000 0.949 554 S CB -0.586 62.449 63.200 -0.275 0.000 0.766 554 S HN 0.784 nan 8.310 nan 0.000 0.517 555 H N 0.041 119.123 119.070 0.020 0.000 2.551 555 H HA 0.463 5.008 4.556 -0.020 0.000 0.271 555 H C 0.604 175.939 175.328 0.011 0.000 0.984 555 H CA -0.402 55.655 56.048 0.014 0.000 1.164 555 H CB 0.149 29.918 29.762 0.010 0.000 1.437 555 H HN 0.287 nan 8.280 nan 0.000 0.550 556 L N 0.000 121.282 121.223 0.097 0.000 2.949 556 L HA 0.000 4.328 4.340 -0.020 0.000 0.249 556 L CA 0.000 54.875 54.840 0.058 0.000 0.813 556 L CB 0.000 42.080 42.059 0.035 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502