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 3flm_1_A DATA FIRST_RESID 2 DATA SEQUENCE SVSAFNRRWA AVILEALTRH GVRHICIAPG SRSTLLTLAA AENSAFIHHT DATA SEQUENCE HFDERGLGHL ALGLAKVSKQ PVAVIVTSGT AVANLYPALI EAGLTGEKLI DATA SEQUENCE LLTADRPPEL IDCGANQAIR QPGMFASHPT HSISLPRPTQ DIPARWLVST DATA SEQUENCE IDHALGTLHA GGVHINCPFA EPLXXXMDDT GLSWQQRLGD WWQDDKPWLR DATA SEQUENCE EAPRLESEKQ RDWFFWRQKR GVVVAGRMSA EEGKKVALWA QTLGWPLIGD DATA SEQUENCE VLSQTGQPLP CADLWLGNAK ATSELQQAQI VVQLGSSLTG KRLLQWQASC DATA SEQUENCE EPEEYWIVDD IEGRLDPAHH RGRRLIANIA DWLELHPAEK RQPWCVEIPR DATA SEQUENCE LAEQAMQAVI ARRDAFGEAQ LAHRICDYLP EQGQLFVGNS LVVRLIDALS DATA SEQUENCE QLPAGYPVYS NRGASGIDGL LSTAAGVQRA SGKPTLAIVG DLSALYDLNA DATA SEQUENCE LALLRQVSAP LVLIVVNNNG XXXXXXXXXX XXXXXXXYLM PQNVHFEHAA DATA SEQUENCE AMFELKYHRP QNWQELETAF ADAWRTPTTT VIEMVVNDTD 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 0.000 174.633 174.600 0.056 0.000 1.055 2 S CA 0.000 58.219 58.200 0.031 0.000 1.107 2 S CB 0.000 63.223 63.200 0.038 0.000 0.593 3 V N 4.064 124.001 119.914 0.039 0.000 2.370 3 V HA -0.213 3.908 4.120 0.002 0.000 0.252 3 V C 2.642 178.790 176.094 0.090 0.000 1.068 3 V CA 2.783 65.120 62.300 0.061 0.000 1.061 3 V CB -0.852 30.985 31.823 0.023 0.000 0.656 3 V HN 0.999 nan 8.190 nan 0.000 0.455 4 S N 0.042 115.778 115.700 0.060 0.000 2.470 4 S HA 0.088 4.559 4.470 0.002 0.000 0.225 4 S C 1.997 176.632 174.600 0.058 0.000 1.006 4 S CA 0.831 59.061 58.200 0.050 0.000 0.934 4 S CB -0.102 63.112 63.200 0.023 0.000 0.778 4 S HN 0.558 nan 8.310 nan 0.000 0.517 5 A N 1.301 124.167 122.820 0.077 0.000 1.930 5 A HA 0.127 4.448 4.320 0.002 0.000 0.217 5 A C 1.867 179.518 177.584 0.111 0.000 1.175 5 A CA 1.173 53.261 52.037 0.086 0.000 0.627 5 A CB -0.929 18.125 19.000 0.090 0.000 0.815 5 A HN 0.564 nan 8.150 nan 0.000 0.443 6 F N 1.539 121.496 119.950 0.011 0.000 2.113 6 F HA -0.128 4.400 4.527 0.001 0.000 0.297 6 F C 2.043 177.879 175.800 0.061 0.000 1.103 6 F CA 1.781 59.771 58.000 -0.017 0.000 1.248 6 F CB -0.456 38.473 39.000 -0.118 0.000 0.999 6 F HN 0.248 nan 8.300 nan 0.000 0.475 7 N N 0.518 119.198 118.700 -0.034 0.000 2.247 7 N HA -0.222 4.519 4.740 0.002 0.000 0.189 7 N C 1.867 177.443 175.510 0.111 0.000 1.009 7 N CA 1.318 54.413 53.050 0.074 0.000 0.872 7 N CB -0.281 38.339 38.487 0.223 0.000 0.980 7 N HN 0.444 nan 8.380 nan 0.000 0.436 8 R N 0.541 121.054 120.500 0.022 0.000 2.119 8 R HA 0.099 4.440 4.340 0.002 0.000 0.222 8 R C 2.116 178.474 176.300 0.096 0.000 1.088 8 R CA 0.507 56.637 56.100 0.049 0.000 0.984 8 R CB 0.103 30.421 30.300 0.030 0.000 0.884 8 R HN 0.189 nan 8.270 nan 0.000 0.447 9 R N 0.218 120.742 120.500 0.040 0.000 2.073 9 R HA -0.124 4.217 4.340 0.002 0.000 0.229 9 R C 1.943 178.406 176.300 0.271 0.000 1.120 9 R CA 0.742 56.942 56.100 0.167 0.000 0.967 9 R CB -0.740 29.692 30.300 0.220 0.000 0.862 9 R HN 0.418 nan 8.270 nan 0.000 0.436 10 W N 2.111 123.251 121.300 -0.267 0.000 2.301 10 W HA -0.272 4.389 4.660 0.002 0.000 0.325 10 W C 1.982 178.623 176.519 0.203 0.000 1.250 10 W CA 2.511 59.790 57.345 -0.109 0.000 1.261 10 W CB -0.365 28.838 29.460 -0.430 0.000 1.157 10 W HN 0.139 nan 8.180 nan 0.000 0.473 11 A N 0.575 123.677 122.820 0.471 0.000 1.902 11 A HA -0.055 4.266 4.320 0.002 0.000 0.217 11 A C 2.173 179.918 177.584 0.269 0.000 1.181 11 A CA 2.762 55.039 52.037 0.399 0.000 0.623 11 A CB -1.328 17.868 19.000 0.327 0.000 0.818 11 A HN 0.346 nan 8.150 nan 0.000 0.443 12 A N -0.643 122.338 122.820 0.268 0.000 1.969 12 A HA 0.037 4.358 4.320 0.002 0.000 0.218 12 A C 2.185 179.989 177.584 0.366 0.000 1.169 12 A CA 1.634 53.850 52.037 0.299 0.000 0.635 12 A CB -0.797 18.367 19.000 0.273 0.000 0.810 12 A HN 0.366 nan 8.150 nan 0.000 0.445 13 V N 0.191 120.309 119.914 0.341 0.000 2.407 13 V HA -0.265 3.856 4.120 0.002 0.000 0.248 13 V C 2.385 178.522 176.094 0.071 0.000 1.055 13 V CA 2.020 64.448 62.300 0.213 0.000 1.049 13 V CB -0.634 31.224 31.823 0.059 0.000 0.662 13 V HN 0.587 nan 8.190 nan 0.000 0.455 14 I N -0.706 119.894 120.570 0.050 0.000 2.252 14 I HA -0.243 3.929 4.170 0.002 0.000 0.245 14 I C 2.297 178.498 176.117 0.140 0.000 1.102 14 I CA 1.507 62.826 61.300 0.030 0.000 1.385 14 I CB -0.292 37.740 38.000 0.054 0.000 1.064 14 I HN 0.243 nan 8.210 nan 0.000 0.414 15 L N 0.308 121.668 121.223 0.228 0.000 2.056 15 L HA -0.216 4.125 4.340 0.002 0.000 0.207 15 L C 2.635 179.730 176.870 0.376 0.000 1.078 15 L CA 1.280 56.324 54.840 0.340 0.000 0.749 15 L CB -0.471 41.830 42.059 0.404 0.000 0.901 15 L HN 0.192 nan 8.230 nan 0.000 0.433 16 E N 0.517 120.905 120.200 0.314 0.000 2.058 16 E HA -0.252 4.099 4.350 0.002 0.000 0.194 16 E C 2.118 178.859 176.600 0.235 0.000 0.997 16 E CA 1.750 58.295 56.400 0.242 0.000 0.801 16 E CB -0.252 29.637 29.700 0.316 0.000 0.746 16 E HN 0.373 nan 8.360 nan 0.000 0.450 17 A N 0.723 123.727 122.820 0.306 0.000 1.892 17 A HA -0.193 4.128 4.320 0.002 0.000 0.218 17 A C 2.423 180.193 177.584 0.309 0.000 1.188 17 A CA 1.756 53.989 52.037 0.327 0.000 0.631 17 A CB -0.951 18.144 19.000 0.158 0.000 0.822 17 A HN 0.373 nan 8.150 nan 0.000 0.447 18 L N -0.893 120.484 121.223 0.257 0.000 2.081 18 L HA -0.211 4.130 4.340 0.002 0.000 0.212 18 L C 2.700 179.738 176.870 0.280 0.000 1.080 18 L CA 1.824 56.821 54.840 0.262 0.000 0.754 18 L CB -1.111 41.088 42.059 0.233 0.000 0.893 18 L HN 0.343 nan 8.230 nan 0.000 0.433 19 T N -0.493 114.200 114.554 0.231 0.000 2.869 19 T HA -0.157 4.194 4.350 0.002 0.000 0.270 19 T C 1.666 176.377 174.700 0.019 0.000 1.082 19 T CA 1.066 63.212 62.100 0.077 0.000 1.123 19 T CB -0.154 68.679 68.868 -0.057 0.000 0.856 19 T HN 0.278 nan 8.240 nan 0.000 0.499 20 R N 0.285 120.812 120.500 0.046 0.000 2.334 20 R HA 0.139 4.480 4.340 0.002 0.000 0.220 20 R C 0.627 176.704 176.300 -0.372 0.000 0.917 20 R CA 0.325 56.338 56.100 -0.146 0.000 1.073 20 R CB 0.039 30.253 30.300 -0.144 0.000 1.056 20 R HN 0.559 nan 8.270 nan 0.000 0.506 21 H N -0.981 118.109 119.070 0.032 0.000 2.923 21 H HA 0.218 4.775 4.556 0.002 0.000 0.268 21 H C 0.811 176.154 175.328 0.025 0.000 1.148 21 H CA 0.620 56.684 56.048 0.027 0.000 1.146 21 H CB 1.527 31.308 29.762 0.031 0.000 1.607 21 H HN 0.404 nan 8.280 nan 0.000 0.566 22 G N 1.147 109.999 108.800 0.088 0.000 2.184 22 G HA2 -0.252 3.709 3.960 0.002 0.000 0.206 22 G HA3 -0.252 3.709 3.960 0.002 0.000 0.206 22 G C 0.107 175.059 174.900 0.085 0.000 0.995 22 G CA 0.021 45.157 45.100 0.060 0.000 0.651 22 G HN 0.136 nan 8.290 nan 0.000 0.511 23 V N 0.858 120.851 119.914 0.132 0.000 2.427 23 V HA 0.541 4.662 4.120 0.002 0.000 0.268 23 V C 1.335 177.543 176.094 0.190 0.000 1.046 23 V CA 0.771 63.171 62.300 0.168 0.000 0.970 23 V CB 1.215 33.171 31.823 0.222 0.000 1.001 23 V HN 0.378 nan 8.190 nan 0.000 0.476 24 R N 1.773 122.350 120.500 0.129 0.000 2.197 24 R HA 0.257 4.598 4.340 0.002 0.000 0.188 24 R C 0.813 177.133 176.300 0.032 0.000 1.015 24 R CA 0.212 56.337 56.100 0.042 0.000 1.132 24 R CB 0.186 30.414 30.300 -0.121 0.000 1.134 24 R HN 0.733 nan 8.270 nan 0.000 0.560 25 H N 0.440 119.600 119.070 0.151 0.000 2.707 25 H HA 0.186 4.742 4.556 0.002 0.000 0.359 25 H C -0.297 175.074 175.328 0.071 0.000 1.113 25 H CA 0.524 56.674 56.048 0.169 0.000 1.422 25 H CB 0.958 30.813 29.762 0.154 0.000 1.443 25 H HN 0.078 nan 8.280 nan 0.000 0.591 26 I N 2.739 123.395 120.570 0.142 0.000 2.534 26 I HA 0.076 4.247 4.170 0.002 0.000 0.288 26 I C -0.700 175.428 176.117 0.018 0.000 1.077 26 I CA -0.381 60.855 61.300 -0.107 0.000 1.051 26 I CB 1.627 39.306 38.000 -0.536 0.000 1.234 26 I HN 0.522 nan 8.210 nan 0.000 0.425 27 C N 7.569 126.865 119.300 -0.008 0.000 2.298 27 C HA 0.622 5.083 4.460 0.002 0.000 0.323 27 C C 0.235 175.231 174.990 0.010 0.000 1.284 27 C CA -0.674 58.363 59.018 0.033 0.000 1.577 27 C CB 0.100 27.834 27.740 -0.010 0.000 2.249 27 C HN 0.391 nan 8.230 nan 0.000 0.497 28 I N 2.444 123.045 120.570 0.052 0.000 2.603 28 I HA 0.752 4.923 4.170 0.002 0.000 0.300 28 I C 0.136 176.301 176.117 0.080 0.000 1.017 28 I CA -0.455 60.882 61.300 0.061 0.000 1.098 28 I CB 1.669 39.724 38.000 0.091 0.000 1.279 28 I HN 0.672 nan 8.210 nan 0.000 0.437 29 A N 5.735 128.597 122.820 0.069 0.000 2.365 29 A HA 0.821 5.142 4.320 0.002 0.000 0.318 29 A C -2.494 175.138 177.584 0.080 0.000 1.091 29 A CA -1.560 50.526 52.037 0.081 0.000 0.763 29 A CB 0.603 19.643 19.000 0.068 0.000 1.248 29 A HN 0.527 nan 8.150 nan 0.000 0.442 30 P HA 0.247 nan 4.420 nan 0.000 0.264 30 P C 0.241 177.578 177.300 0.061 0.000 1.156 30 P CA 1.023 64.168 63.100 0.074 0.000 0.756 30 P CB 0.274 32.023 31.700 0.082 0.000 0.764 31 G N 0.119 108.947 108.800 0.046 0.000 2.498 31 G HA2 0.212 4.173 3.960 0.002 0.000 0.301 31 G HA3 0.212 4.173 3.960 0.002 0.000 0.301 31 G C 0.191 175.107 174.900 0.027 0.000 1.577 31 G CA -0.323 44.801 45.100 0.039 0.000 0.868 31 G HN 0.308 nan 8.290 nan 0.000 0.599 32 S N -0.532 115.181 115.700 0.023 0.000 2.607 32 S HA -0.004 4.467 4.470 0.002 0.000 0.224 32 S C 2.038 176.642 174.600 0.007 0.000 0.969 32 S CA 1.398 59.606 58.200 0.013 0.000 0.927 32 S CB -0.054 63.154 63.200 0.012 0.000 0.772 32 S HN 0.655 nan 8.310 nan 0.000 0.533 33 R N -0.170 120.339 120.500 0.015 0.000 2.191 33 R HA 0.260 4.602 4.340 0.002 0.000 0.196 33 R C 1.862 178.160 176.300 -0.003 0.000 0.991 33 R CA 1.061 57.168 56.100 0.012 0.000 1.075 33 R CB -0.554 29.774 30.300 0.047 0.000 1.040 33 R HN 0.179 nan 8.270 nan 0.000 0.526 34 S N 0.525 116.237 115.700 0.020 0.000 2.461 34 S HA -0.169 4.302 4.470 0.002 0.000 0.246 34 S C 1.459 176.026 174.600 -0.055 0.000 1.007 34 S CA 1.652 59.860 58.200 0.013 0.000 0.976 34 S CB -0.520 62.704 63.200 0.039 0.000 0.763 34 S HN 0.447 nan 8.310 nan 0.000 0.508 35 T N 2.133 116.652 114.554 -0.059 0.000 2.792 35 T HA -0.143 4.208 4.350 0.002 0.000 0.268 35 T C 1.498 176.129 174.700 -0.115 0.000 1.059 35 T CA 1.002 63.064 62.100 -0.063 0.000 1.136 35 T CB -0.359 68.475 68.868 -0.058 0.000 0.846 35 T HN 0.184 nan 8.240 nan 0.000 0.489 36 L N -0.167 120.907 121.223 -0.248 0.000 2.156 36 L HA 0.178 4.519 4.340 0.002 0.000 0.208 36 L C 2.052 178.801 176.870 -0.201 0.000 1.095 36 L CA 1.417 56.047 54.840 -0.350 0.000 0.770 36 L CB -0.415 41.130 42.059 -0.857 0.000 0.914 36 L HN 0.305 nan 8.230 nan 0.000 0.439 37 L N -2.350 118.796 121.223 -0.129 0.000 2.298 37 L HA -0.049 4.292 4.340 0.002 0.000 0.209 37 L C 2.196 179.086 176.870 0.034 0.000 1.084 37 L CA 0.579 55.428 54.840 0.015 0.000 0.816 37 L CB -0.527 41.587 42.059 0.092 0.000 0.967 37 L HN 0.167 nan 8.230 nan 0.000 0.460 38 T N 0.758 115.323 114.554 0.019 0.000 2.595 38 T HA -0.235 4.116 4.350 0.002 0.000 0.264 38 T C 1.927 176.670 174.700 0.070 0.000 1.058 38 T CA 1.500 63.629 62.100 0.050 0.000 1.166 38 T CB -0.492 68.397 68.868 0.035 0.000 0.863 38 T HN 0.118 nan 8.240 nan 0.000 0.415 39 L N 1.031 122.273 121.223 0.032 0.000 1.991 39 L HA -0.282 4.059 4.340 0.002 0.000 0.221 39 L C 3.103 180.018 176.870 0.076 0.000 1.079 39 L CA 1.767 56.628 54.840 0.035 0.000 0.778 39 L CB -0.931 41.127 42.059 -0.001 0.000 0.893 39 L HN 0.316 nan 8.230 nan 0.000 0.437 40 A N -0.444 122.425 122.820 0.080 0.000 1.927 40 A HA -0.276 4.045 4.320 0.002 0.000 0.220 40 A C 2.417 180.135 177.584 0.224 0.000 1.185 40 A CA 2.356 54.476 52.037 0.139 0.000 0.639 40 A CB -0.811 18.275 19.000 0.144 0.000 0.820 40 A HN 0.519 nan 8.150 nan 0.000 0.451 41 A N -0.868 122.087 122.820 0.224 0.000 1.975 41 A HA 0.377 4.698 4.320 0.002 0.000 0.215 41 A C 2.446 180.319 177.584 0.482 0.000 1.170 41 A CA 1.511 53.751 52.037 0.337 0.000 0.656 41 A CB -0.820 18.183 19.000 0.005 0.000 0.821 41 A HN 1.007 nan 8.150 nan 0.000 0.449 42 A N 0.253 123.257 122.820 0.308 0.000 1.877 42 A HA -0.186 4.135 4.320 0.002 0.000 0.216 42 A C 1.854 179.516 177.584 0.129 0.000 1.186 42 A CA 1.679 53.797 52.037 0.136 0.000 0.620 42 A CB -0.583 18.429 19.000 0.020 0.000 0.822 42 A HN 0.589 nan 8.150 nan 0.000 0.443 43 E N -0.100 120.177 120.200 0.128 0.000 2.209 43 E HA -0.137 4.214 4.350 0.002 0.000 0.196 43 E C 0.466 177.140 176.600 0.122 0.000 0.993 43 E CA 0.357 56.818 56.400 0.102 0.000 0.819 43 E CB -0.089 29.660 29.700 0.081 0.000 0.745 43 E HN 0.499 nan 8.360 nan 0.000 0.477 44 N N 0.454 119.280 118.700 0.211 0.000 2.408 44 N HA -0.018 4.723 4.740 0.002 0.000 0.257 44 N C 0.481 176.003 175.510 0.020 0.000 1.064 44 N CA 0.074 53.185 53.050 0.101 0.000 0.952 44 N CB 1.307 39.857 38.487 0.106 0.000 1.093 44 N HN -0.057 nan 8.380 nan 0.000 0.490 45 S N 2.444 118.113 115.700 -0.051 0.000 2.561 45 S HA -0.005 4.466 4.470 0.002 0.000 0.225 45 S C 1.546 176.077 174.600 -0.115 0.000 0.977 45 S CA 0.425 58.601 58.200 -0.040 0.000 0.926 45 S CB 0.023 63.200 63.200 -0.038 0.000 0.769 45 S HN 0.539 nan 8.310 nan 0.000 0.533 46 A N 0.300 122.937 122.820 -0.306 0.000 2.206 46 A HA 0.391 4.712 4.320 0.002 0.000 0.211 46 A C 0.165 177.540 177.584 -0.349 0.000 1.158 46 A CA 0.095 51.901 52.037 -0.386 0.000 0.761 46 A CB -0.458 18.230 19.000 -0.519 0.000 0.801 46 A HN 0.499 nan 8.150 nan 0.000 0.473 47 F N 0.068 120.010 119.950 -0.014 0.000 2.422 47 F HA 0.481 5.009 4.527 0.002 0.000 0.333 47 F C 0.161 175.907 175.800 -0.091 0.000 1.095 47 F CA -1.941 56.007 58.000 -0.088 0.000 1.038 47 F CB 0.921 39.821 39.000 -0.166 0.000 1.156 47 F HN -0.113 nan 8.300 nan 0.000 0.483 48 I N 2.803 123.387 120.570 0.023 0.000 2.352 48 I HA 0.141 4.312 4.170 0.002 0.000 0.290 48 I C 0.146 176.138 176.117 -0.207 0.000 1.036 48 I CA -0.766 60.482 61.300 -0.087 0.000 1.336 48 I CB -0.290 37.595 38.000 -0.192 0.000 1.407 48 I HN 0.495 nan 8.210 nan 0.000 0.497 49 H N 6.076 125.038 119.070 -0.180 0.000 2.582 49 H HA 0.454 5.011 4.556 0.002 0.000 0.345 49 H C -0.259 174.876 175.328 -0.322 0.000 1.104 49 H CA 0.344 56.307 56.048 -0.143 0.000 1.390 49 H CB 0.645 30.380 29.762 -0.046 0.000 1.461 49 H HN 0.425 nan 8.280 nan 0.000 0.551 50 H N 0.819 119.951 119.070 0.104 0.000 2.930 50 H HA 0.412 4.969 4.556 0.002 0.000 0.371 50 H C -0.601 174.764 175.328 0.063 0.000 1.169 50 H CA -0.795 55.295 56.048 0.069 0.000 1.157 50 H CB 2.113 31.890 29.762 0.025 0.000 1.789 50 H HN 0.726 nan 8.280 nan 0.000 0.547 51 T N -0.661 114.000 114.554 0.178 0.000 2.864 51 T HA 0.491 4.842 4.350 0.002 0.000 0.299 51 T C -1.112 173.670 174.700 0.136 0.000 1.166 51 T CA -0.854 61.330 62.100 0.140 0.000 1.007 51 T CB 2.936 71.890 68.868 0.142 0.000 1.219 51 T HN 0.701 nan 8.240 nan 0.000 0.506 52 H N -0.065 118.972 119.070 -0.056 0.000 3.139 52 H HA 0.344 4.901 4.556 0.002 0.000 0.325 52 H C -0.484 174.715 175.328 -0.214 0.000 1.146 52 H CA -1.807 54.092 56.048 -0.248 0.000 1.351 52 H CB 0.663 30.235 29.762 -0.317 0.000 2.005 52 H HN 0.617 nan 8.280 nan 0.000 0.517 53 F N 0.101 119.884 119.950 -0.278 0.000 2.569 53 F HA 0.222 4.750 4.527 0.001 0.000 0.295 53 F C 0.735 176.380 175.800 -0.259 0.000 1.115 53 F CA -0.247 57.636 58.000 -0.195 0.000 1.450 53 F CB 0.096 39.014 39.000 -0.137 0.000 1.107 53 F HN 0.339 nan 8.300 nan 0.000 0.563 54 D N 1.860 121.777 120.400 -0.804 0.000 2.336 54 D HA 0.027 4.668 4.640 0.002 0.000 0.249 54 D C 0.830 177.066 176.300 -0.107 0.000 1.213 54 D CA 0.217 54.079 54.000 -0.231 0.000 0.870 54 D CB 1.114 41.798 40.800 -0.193 0.000 1.076 54 D HN 0.278 nan 8.370 nan 0.000 0.483 55 E N 2.885 123.088 120.200 0.006 0.000 2.110 55 E HA -0.153 4.198 4.350 0.002 0.000 0.193 55 E C 1.874 178.501 176.600 0.044 0.000 0.988 55 E CA 0.765 57.181 56.400 0.027 0.000 0.804 55 E CB 0.131 29.859 29.700 0.047 0.000 0.745 55 E HN 0.447 nan 8.360 nan 0.000 0.458 56 R N -0.111 120.436 120.500 0.079 0.000 2.113 56 R HA -0.180 4.161 4.340 0.002 0.000 0.244 56 R C 2.288 178.686 176.300 0.165 0.000 1.142 56 R CA 1.787 57.957 56.100 0.117 0.000 0.953 56 R CB -0.581 29.819 30.300 0.167 0.000 0.860 56 R HN 0.315 nan 8.270 nan 0.000 0.438 57 G N 0.759 109.657 108.800 0.164 0.000 2.404 57 G HA2 -0.256 3.705 3.960 0.002 0.000 0.215 57 G HA3 -0.256 3.705 3.960 0.002 0.000 0.215 57 G C 1.338 176.313 174.900 0.125 0.000 1.174 57 G CA 0.493 45.715 45.100 0.203 0.000 0.780 57 G HN 0.288 nan 8.290 nan 0.000 0.537 58 L N 1.477 122.762 121.223 0.103 0.000 2.089 58 L HA -0.021 4.320 4.340 0.002 0.000 0.213 58 L C 2.806 179.643 176.870 -0.054 0.000 1.079 58 L CA 2.207 57.057 54.840 0.017 0.000 0.758 58 L CB -0.610 41.462 42.059 0.021 0.000 0.891 58 L HN 0.214 nan 8.230 nan 0.000 0.433 59 G N -2.295 106.453 108.800 -0.088 0.000 2.414 59 G HA2 -0.274 3.687 3.960 0.002 0.000 0.215 59 G HA3 -0.274 3.687 3.960 0.002 0.000 0.215 59 G C 1.285 176.026 174.900 -0.265 0.000 1.188 59 G CA 0.922 45.899 45.100 -0.204 0.000 0.783 59 G HN 0.556 nan 8.290 nan 0.000 0.537 60 H N -0.301 118.716 119.070 -0.088 0.000 2.353 60 H HA -0.088 4.469 4.556 0.002 0.000 0.298 60 H C 2.334 177.563 175.328 -0.164 0.000 1.103 60 H CA 1.387 57.366 56.048 -0.115 0.000 1.293 60 H CB -0.128 29.569 29.762 -0.107 0.000 1.372 60 H HN 0.314 nan 8.280 nan 0.000 0.501 61 L N 0.651 121.828 121.223 -0.077 0.000 2.017 61 L HA -0.120 4.221 4.340 0.002 0.000 0.208 61 L C 2.423 179.154 176.870 -0.232 0.000 1.073 61 L CA 1.803 56.530 54.840 -0.188 0.000 0.745 61 L CB -0.966 40.970 42.059 -0.205 0.000 0.894 61 L HN 0.250 nan 8.230 nan 0.000 0.432 62 A N -0.300 122.405 122.820 -0.192 0.000 1.873 62 A HA -0.273 4.048 4.320 0.002 0.000 0.218 62 A C 2.312 179.788 177.584 -0.180 0.000 1.193 62 A CA 2.282 54.205 52.037 -0.191 0.000 0.629 62 A CB -1.256 17.658 19.000 -0.143 0.000 0.826 62 A HN 0.531 nan 8.150 nan 0.000 0.447 63 L N 0.031 121.164 121.223 -0.150 0.000 2.042 63 L HA -0.084 4.257 4.340 0.002 0.000 0.210 63 L C 2.468 179.263 176.870 -0.125 0.000 1.076 63 L CA 2.356 57.128 54.840 -0.114 0.000 0.749 63 L CB -1.038 40.979 42.059 -0.070 0.000 0.893 63 L HN 0.353 nan 8.230 nan 0.000 0.432 64 G N -0.368 108.335 108.800 -0.163 0.000 2.491 64 G HA2 -0.299 3.662 3.960 0.002 0.000 0.218 64 G HA3 -0.299 3.662 3.960 0.002 0.000 0.218 64 G C 1.575 176.306 174.900 -0.282 0.000 1.180 64 G CA 1.371 46.330 45.100 -0.235 0.000 0.774 64 G HN 0.448 nan 8.290 nan 0.000 0.562 65 L N 0.665 121.700 121.223 -0.314 0.000 2.017 65 L HA -0.040 4.301 4.340 0.002 0.000 0.208 65 L C 3.451 180.167 176.870 -0.257 0.000 1.073 65 L CA 1.121 55.736 54.840 -0.375 0.000 0.745 65 L CB -0.506 41.229 42.059 -0.540 0.000 0.894 65 L HN 0.310 nan 8.230 nan 0.000 0.432 66 A N -0.096 122.615 122.820 -0.182 0.000 1.902 66 A HA -0.257 4.064 4.320 0.002 0.000 0.217 66 A C 2.380 179.905 177.584 -0.098 0.000 1.181 66 A CA 1.909 53.883 52.037 -0.105 0.000 0.623 66 A CB -0.504 18.449 19.000 -0.078 0.000 0.818 66 A HN 0.304 nan 8.150 nan 0.000 0.443 67 K N -0.607 119.721 120.400 -0.120 0.000 2.034 67 K HA -0.185 4.136 4.320 0.002 0.000 0.214 67 K C 1.814 178.331 176.600 -0.139 0.000 1.051 67 K CA 2.153 58.377 56.287 -0.105 0.000 0.931 67 K CB -0.279 32.147 32.500 -0.124 0.000 0.715 67 K HN 0.291 nan 8.250 nan 0.000 0.446 68 V N 0.281 120.028 119.914 -0.279 0.000 2.500 68 V HA -0.143 3.978 4.120 0.002 0.000 0.243 68 V C 2.193 178.238 176.094 -0.083 0.000 1.039 68 V CA 1.795 63.936 62.300 -0.264 0.000 1.053 68 V CB 0.219 31.782 31.823 -0.433 0.000 0.695 68 V HN 0.499 nan 8.190 nan 0.000 0.463 69 S N -1.142 114.505 115.700 -0.088 0.000 2.461 69 S HA -0.109 4.362 4.470 0.002 0.000 0.228 69 S C 1.203 175.807 174.600 0.008 0.000 1.005 69 S CA 0.520 58.710 58.200 -0.016 0.000 0.942 69 S CB -0.136 63.077 63.200 0.021 0.000 0.776 69 S HN 0.502 nan 8.310 nan 0.000 0.514 70 K N 0.253 120.649 120.400 -0.007 0.000 3.407 70 K HA -0.179 4.142 4.320 0.002 0.000 0.312 70 K C -0.528 176.076 176.600 0.007 0.000 1.302 70 K CA 1.346 57.634 56.287 0.001 0.000 0.931 70 K CB -2.276 30.230 32.500 0.009 0.000 1.257 70 K HN 0.876 nan 8.250 nan 0.000 0.454 71 Q N 0.579 120.391 119.800 0.021 0.000 2.297 71 Q HA 0.600 4.941 4.340 0.002 0.000 0.268 71 Q C -2.613 173.412 176.000 0.042 0.000 1.045 71 Q CA -2.271 53.556 55.803 0.041 0.000 0.861 71 Q CB 1.315 30.095 28.738 0.071 0.000 1.344 71 Q HN -0.152 nan 8.270 nan 0.000 0.452 72 P HA 0.139 nan 4.420 nan 0.000 0.274 72 P C -0.949 176.389 177.300 0.064 0.000 1.231 72 P CA -0.299 62.828 63.100 0.045 0.000 0.790 72 P CB 0.820 32.553 31.700 0.055 0.000 0.951 73 V N 1.536 121.471 119.914 0.035 0.000 2.569 73 V HA 0.528 4.649 4.120 0.002 0.000 0.301 73 V C 0.221 176.312 176.094 -0.004 0.000 1.044 73 V CA -0.873 61.448 62.300 0.035 0.000 0.874 73 V CB 1.638 33.462 31.823 0.002 0.000 1.002 73 V HN 0.765 nan 8.190 nan 0.000 0.424 74 A N 4.601 127.413 122.820 -0.013 0.000 2.304 74 A HA 0.859 5.181 4.320 0.002 0.000 0.271 74 A C -0.558 176.986 177.584 -0.067 0.000 1.091 74 A CA -0.356 51.648 52.037 -0.055 0.000 0.812 74 A CB 1.080 20.003 19.000 -0.129 0.000 1.056 74 A HN 0.813 nan 8.150 nan 0.000 0.489 75 V N 2.222 122.101 119.914 -0.058 0.000 2.686 75 V HA 0.416 4.537 4.120 0.002 0.000 0.306 75 V C -0.636 175.442 176.094 -0.027 0.000 1.065 75 V CA -0.163 62.108 62.300 -0.048 0.000 0.894 75 V CB 1.658 33.449 31.823 -0.053 0.000 1.004 75 V HN 0.747 nan 8.190 nan 0.000 0.424 76 I N 5.090 125.649 120.570 -0.017 0.000 2.433 76 I HA 0.791 4.962 4.170 0.002 0.000 0.292 76 I C -0.611 175.529 176.117 0.038 0.000 1.001 76 I CA -0.918 60.392 61.300 0.016 0.000 1.119 76 I CB 2.071 40.072 38.000 0.002 0.000 1.289 76 I HN 0.523 nan 8.210 nan 0.000 0.438 77 V N 1.028 120.980 119.914 0.063 0.000 3.159 77 V HA 0.549 4.670 4.120 0.002 0.000 0.308 77 V C -0.282 175.860 176.094 0.080 0.000 1.190 77 V CA -0.703 61.636 62.300 0.065 0.000 1.037 77 V CB 1.586 33.447 31.823 0.062 0.000 1.060 77 V HN 0.689 nan 8.190 nan 0.000 0.437 78 T N 1.748 116.344 114.554 0.069 0.000 2.828 78 T HA 0.417 4.768 4.350 0.002 0.000 0.290 78 T C 0.644 175.389 174.700 0.075 0.000 1.019 78 T CA 0.615 62.758 62.100 0.071 0.000 1.031 78 T CB 0.783 69.685 68.868 0.056 0.000 1.001 78 T HN 1.694 nan 8.240 nan 0.000 0.531 79 S N 1.799 117.546 115.700 0.078 0.000 2.576 79 S HA 0.554 5.025 4.470 0.002 0.000 0.272 79 S C 0.830 175.458 174.600 0.047 0.000 1.352 79 S CA 0.126 58.367 58.200 0.069 0.000 1.021 79 S CB -0.046 63.198 63.200 0.072 0.000 0.887 79 S HN 1.640 nan 8.310 nan 0.000 0.542 80 G N 1.581 110.400 108.800 0.031 0.000 2.482 80 G HA2 -0.218 3.743 3.960 0.002 0.000 0.214 80 G HA3 -0.218 3.743 3.960 0.002 0.000 0.214 80 G C 0.678 175.587 174.900 0.015 0.000 1.271 80 G CA 0.696 45.807 45.100 0.019 0.000 0.944 80 G HN 1.910 nan 8.290 nan 0.000 0.568 81 T N -0.721 113.846 114.554 0.022 0.000 2.869 81 T HA 0.092 4.443 4.350 0.002 0.000 0.270 81 T C 2.602 177.330 174.700 0.047 0.000 1.082 81 T CA 2.876 64.995 62.100 0.032 0.000 1.123 81 T CB -0.629 68.263 68.868 0.039 0.000 0.856 81 T HN 2.112 nan 8.240 nan 0.000 0.499 82 A N 1.369 124.218 122.820 0.048 0.000 1.917 82 A HA -0.046 4.275 4.320 0.002 0.000 0.219 82 A C 2.651 180.275 177.584 0.067 0.000 1.182 82 A CA 1.950 54.023 52.037 0.059 0.000 0.633 82 A CB -1.207 17.828 19.000 0.058 0.000 0.819 82 A HN 0.458 nan 8.150 nan 0.000 0.448 83 V N -0.220 119.728 119.914 0.056 0.000 2.295 83 V HA -0.250 3.871 4.120 0.002 0.000 0.246 83 V C 3.056 179.222 176.094 0.119 0.000 1.049 83 V CA 1.950 64.295 62.300 0.074 0.000 1.024 83 V CB -1.419 30.405 31.823 0.002 0.000 0.648 83 V HN 0.634 nan 8.190 nan 0.000 0.447 84 A N 0.423 123.267 122.820 0.038 0.000 1.986 84 A HA -0.275 4.046 4.320 0.002 0.000 0.220 84 A C 2.022 179.738 177.584 0.222 0.000 1.171 84 A CA 2.081 54.169 52.037 0.085 0.000 0.640 84 A CB -0.774 18.259 19.000 0.055 0.000 0.811 84 A HN 0.622 nan 8.150 nan 0.000 0.451 85 N N -0.053 118.741 118.700 0.157 0.000 2.443 85 N HA -0.082 4.659 4.740 0.002 0.000 0.184 85 N C 1.342 176.926 175.510 0.125 0.000 1.037 85 N CA 1.028 54.165 53.050 0.145 0.000 0.896 85 N CB -0.344 38.208 38.487 0.108 0.000 0.959 85 N HN 0.560 nan 8.380 nan 0.000 0.442 86 L N -0.260 121.036 121.223 0.122 0.000 2.549 86 L HA -0.114 4.227 4.340 0.002 0.000 0.229 86 L C 2.081 178.925 176.870 -0.043 0.000 1.158 86 L CA 0.396 55.224 54.840 -0.021 0.000 0.842 86 L CB -0.439 41.566 42.059 -0.092 0.000 0.952 86 L HN 0.079 nan 8.230 nan 0.000 0.452 87 Y N 1.406 121.704 120.300 -0.004 0.000 2.145 87 Y HA -0.119 4.432 4.550 0.001 0.000 0.286 87 Y C -0.141 175.673 175.900 -0.142 0.000 1.145 87 Y CA 0.547 58.623 58.100 -0.040 0.000 1.148 87 Y CB -1.587 36.965 38.460 0.153 0.000 0.981 87 Y HN 0.149 nan 8.280 nan 0.000 0.507 88 P HA -0.222 nan 4.420 nan 0.000 0.212 88 P C 1.605 178.803 177.300 -0.170 0.000 1.178 88 P CA 2.794 65.849 63.100 -0.075 0.000 0.915 88 P CB -0.298 31.436 31.700 0.058 0.000 0.788 89 A N -1.089 121.490 122.820 -0.400 0.000 1.978 89 A HA -0.199 4.122 4.320 0.002 0.000 0.220 89 A C 2.147 179.593 177.584 -0.229 0.000 1.170 89 A CA 1.546 53.322 52.037 -0.434 0.000 0.636 89 A CB -1.684 16.961 19.000 -0.593 0.000 0.810 89 A HN 0.162 nan 8.150 nan 0.000 0.448 90 L N -0.169 120.921 121.223 -0.222 0.000 2.017 90 L HA -0.099 4.243 4.340 0.002 0.000 0.208 90 L C 2.234 179.038 176.870 -0.110 0.000 1.073 90 L CA 1.778 56.496 54.840 -0.204 0.000 0.745 90 L CB -0.516 41.334 42.059 -0.348 0.000 0.894 90 L HN 0.424 nan 8.230 nan 0.000 0.432 91 I N -0.341 120.157 120.570 -0.120 0.000 2.099 91 I HA -0.332 3.839 4.170 0.002 0.000 0.239 91 I C 2.539 178.611 176.117 -0.075 0.000 1.066 91 I CA 1.691 62.892 61.300 -0.165 0.000 1.324 91 I CB -0.361 37.417 38.000 -0.369 0.000 1.037 91 I HN 0.376 nan 8.210 nan 0.000 0.401 92 E N 1.310 121.466 120.200 -0.074 0.000 2.086 92 E HA -0.304 4.047 4.350 0.002 0.000 0.205 92 E C 2.048 178.636 176.600 -0.020 0.000 1.027 92 E CA 2.199 58.581 56.400 -0.029 0.000 0.830 92 E CB -0.330 29.372 29.700 0.003 0.000 0.751 92 E HN 0.458 nan 8.360 nan 0.000 0.456 93 A N -0.032 122.765 122.820 -0.039 0.000 1.940 93 A HA -0.077 4.244 4.320 0.002 0.000 0.219 93 A C 2.480 180.058 177.584 -0.009 0.000 1.176 93 A CA 1.863 53.881 52.037 -0.032 0.000 0.631 93 A CB -1.312 17.654 19.000 -0.058 0.000 0.814 93 A HN 0.440 nan 8.150 nan 0.000 0.446 94 G N -1.019 107.784 108.800 0.005 0.000 2.534 94 G HA2 0.037 3.998 3.960 0.002 0.000 0.217 94 G HA3 0.037 3.998 3.960 0.002 0.000 0.217 94 G C 1.395 176.316 174.900 0.036 0.000 1.128 94 G CA 0.860 45.980 45.100 0.034 0.000 0.784 94 G HN 0.437 nan 8.290 nan 0.000 0.542 95 L N 0.358 121.597 121.223 0.028 0.000 2.463 95 L HA 0.137 4.478 4.340 0.002 0.000 0.219 95 L C 2.739 179.618 176.870 0.016 0.000 1.088 95 L CA 1.403 56.258 54.840 0.025 0.000 0.849 95 L CB 0.374 42.444 42.059 0.020 0.000 1.012 95 L HN 0.335 nan 8.230 nan 0.000 0.468 96 T N -5.655 108.906 114.554 0.011 0.000 2.985 96 T HA 0.363 4.715 4.350 0.002 0.000 0.254 96 T C 1.267 175.970 174.700 0.005 0.000 1.021 96 T CA 0.510 62.616 62.100 0.010 0.000 0.957 96 T CB 1.150 70.028 68.868 0.015 0.000 1.047 96 T HN 0.263 nan 8.240 nan 0.000 0.511 97 G N 0.867 109.667 108.800 -0.000 0.000 2.260 97 G HA2 -0.127 3.834 3.960 0.002 0.000 0.179 97 G HA3 -0.127 3.834 3.960 0.002 0.000 0.179 97 G C -0.336 174.551 174.900 -0.022 0.000 1.002 97 G CA -0.493 44.601 45.100 -0.011 0.000 0.677 97 G HN 0.514 nan 8.290 nan 0.000 0.486 98 E N 1.579 121.766 120.200 -0.021 0.000 2.415 98 E HA 0.368 4.719 4.350 0.002 0.000 0.263 98 E C 0.451 177.031 176.600 -0.033 0.000 0.995 98 E CA 0.288 56.669 56.400 -0.031 0.000 0.915 98 E CB 0.478 30.153 29.700 -0.041 0.000 0.951 98 E HN 0.279 nan 8.360 nan 0.000 0.449 99 K N 3.920 124.303 120.400 -0.028 0.000 2.083 99 K HA 0.117 4.439 4.320 0.002 0.000 0.246 99 K C -0.433 176.151 176.600 -0.025 0.000 1.160 99 K CA -0.006 56.269 56.287 -0.019 0.000 1.060 99 K CB -0.158 32.340 32.500 -0.005 0.000 1.417 99 K HN 0.355 nan 8.250 nan 0.000 0.329 100 L N 4.472 125.670 121.223 -0.043 0.000 2.283 100 L HA 0.214 4.556 4.340 0.002 0.000 0.287 100 L C 0.037 176.882 176.870 -0.041 0.000 1.073 100 L CA -0.686 54.119 54.840 -0.057 0.000 0.822 100 L CB 0.341 42.341 42.059 -0.099 0.000 1.186 100 L HN 0.272 nan 8.230 nan 0.000 0.436 101 I N 5.807 126.363 120.570 -0.023 0.000 2.291 101 I HA 0.246 4.417 4.170 0.002 0.000 0.292 101 I C 0.161 176.275 176.117 -0.003 0.000 1.064 101 I CA -0.452 60.846 61.300 -0.003 0.000 1.269 101 I CB 0.533 38.537 38.000 0.008 0.000 1.418 101 I HN 0.427 nan 8.210 nan 0.000 0.485 102 L N 6.970 128.197 121.223 0.007 0.000 2.264 102 L HA 0.472 4.813 4.340 0.002 0.000 0.289 102 L C -0.256 176.672 176.870 0.096 0.000 1.044 102 L CA -0.583 54.263 54.840 0.011 0.000 0.807 102 L CB 0.624 42.644 42.059 -0.065 0.000 1.192 102 L HN 0.342 nan 8.230 nan 0.000 0.425 103 L N 3.513 124.788 121.223 0.086 0.000 2.264 103 L HA 0.345 4.686 4.340 0.002 0.000 0.287 103 L C 0.547 177.515 176.870 0.162 0.000 1.039 103 L CA -0.375 54.550 54.840 0.142 0.000 0.829 103 L CB 1.073 43.204 42.059 0.121 0.000 1.211 103 L HN 0.604 nan 8.230 nan 0.000 0.427 104 T N 0.407 115.095 114.554 0.222 0.000 2.762 104 T HA 0.675 5.026 4.350 0.002 0.000 0.303 104 T C 0.364 175.191 174.700 0.212 0.000 0.977 104 T CA -0.754 61.469 62.100 0.205 0.000 0.961 104 T CB 1.230 70.242 68.868 0.241 0.000 0.944 104 T HN 0.586 nan 8.240 nan 0.000 0.481 105 A N 3.414 126.359 122.820 0.208 0.000 2.511 105 A HA 0.434 4.755 4.320 0.002 0.000 0.242 105 A C 0.338 178.042 177.584 0.200 0.000 1.069 105 A CA -0.377 51.826 52.037 0.277 0.000 0.763 105 A CB 0.065 19.227 19.000 0.271 0.000 1.001 105 A HN 0.880 nan 8.150 nan 0.000 0.498 106 D N 0.643 121.155 120.400 0.187 0.000 2.340 106 D HA 0.388 5.029 4.640 0.002 0.000 0.240 106 D C 0.040 176.406 176.300 0.109 0.000 1.001 106 D CA -0.561 53.504 54.000 0.109 0.000 0.888 106 D CB 0.942 41.774 40.800 0.053 0.000 1.310 106 D HN 0.438 nan 8.370 nan 0.000 0.474 107 R N 1.988 122.530 120.500 0.070 0.000 2.784 107 R HA 0.243 4.584 4.340 0.002 0.000 0.266 107 R C -1.933 174.380 176.300 0.022 0.000 1.044 107 R CA -1.072 55.059 56.100 0.053 0.000 1.151 107 R CB -0.612 29.708 30.300 0.033 0.000 1.037 107 R HN 0.409 nan 8.270 nan 0.000 0.478 108 P HA 0.109 nan 4.420 nan 0.000 0.274 108 P C -2.003 175.278 177.300 -0.030 0.000 1.246 108 P CA -1.349 61.734 63.100 -0.029 0.000 0.795 108 P CB 0.480 32.161 31.700 -0.031 0.000 1.006 109 P HA -0.026 nan 4.420 nan 0.000 0.240 109 P C 0.850 178.130 177.300 -0.033 0.000 1.190 109 P CA 0.912 63.990 63.100 -0.037 0.000 0.781 109 P CB 0.120 31.793 31.700 -0.045 0.000 0.931 110 E N 0.591 120.770 120.200 -0.035 0.000 2.171 110 E HA -0.114 4.237 4.350 0.002 0.000 0.197 110 E C 1.363 177.952 176.600 -0.020 0.000 0.997 110 E CA 0.999 57.382 56.400 -0.028 0.000 0.810 110 E CB -0.879 28.805 29.700 -0.027 0.000 0.738 110 E HN 0.336 nan 8.360 nan 0.000 0.467 111 L N 0.566 121.780 121.223 -0.015 0.000 2.984 111 L HA 0.333 4.674 4.340 0.002 0.000 0.246 111 L C -0.273 176.594 176.870 -0.006 0.000 1.268 111 L CA -0.362 54.473 54.840 -0.008 0.000 1.054 111 L CB 0.273 42.331 42.059 -0.001 0.000 1.393 111 L HN 0.012 nan 8.230 nan 0.000 0.532 112 I N -0.554 120.010 120.570 -0.010 0.000 2.474 112 I HA 0.285 4.456 4.170 0.002 0.000 0.294 112 I C -0.214 175.897 176.117 -0.010 0.000 1.005 112 I CA -0.276 61.019 61.300 -0.009 0.000 1.113 112 I CB 1.633 39.626 38.000 -0.012 0.000 1.289 112 I HN 0.060 nan 8.210 nan 0.000 0.436 113 D N 3.713 124.108 120.400 -0.008 0.000 2.835 113 D HA -0.189 4.452 4.640 0.002 0.000 0.230 113 D C 0.131 176.428 176.300 -0.006 0.000 1.130 113 D CA 1.223 55.219 54.000 -0.007 0.000 0.738 113 D CB -1.099 39.696 40.800 -0.008 0.000 1.090 113 D HN 0.737 nan 8.370 nan 0.000 0.433 114 C N -3.329 115.968 119.300 -0.005 0.000 3.613 114 C HA 0.726 5.187 4.460 0.002 0.000 0.277 114 C C 1.641 176.629 174.990 -0.003 0.000 2.235 114 C CA 0.453 59.468 59.018 -0.005 0.000 1.657 114 C CB 0.172 27.908 27.740 -0.007 0.000 3.412 114 C HN 0.931 nan 8.230 nan 0.000 0.432 115 G N 1.138 109.937 108.800 -0.002 0.000 2.157 115 G HA2 0.182 4.143 3.960 0.002 0.000 0.248 115 G HA3 0.182 4.143 3.960 0.002 0.000 0.248 115 G C 0.390 175.291 174.900 0.001 0.000 0.979 115 G CA 0.235 45.335 45.100 -0.000 0.000 0.650 115 G HN 1.805 nan 8.290 nan 0.000 0.529 116 A N -0.304 122.517 122.820 0.001 0.000 2.386 116 A HA 0.606 4.927 4.320 0.002 0.000 0.246 116 A C 0.545 178.133 177.584 0.006 0.000 1.089 116 A CA 0.497 52.536 52.037 0.004 0.000 0.790 116 A CB 0.167 19.170 19.000 0.004 0.000 1.042 116 A HN 0.616 nan 8.150 nan 0.000 0.497 117 N N 0.257 118.962 118.700 0.008 0.000 2.525 117 N HA 0.323 5.064 4.740 0.002 0.000 0.271 117 N C 0.035 175.554 175.510 0.014 0.000 1.194 117 N CA 0.206 53.262 53.050 0.010 0.000 0.964 117 N CB 0.497 38.990 38.487 0.010 0.000 1.126 117 N HN 0.802 nan 8.380 nan 0.000 0.452 118 Q N -0.352 119.457 119.800 0.015 0.000 2.457 118 Q HA -0.278 4.063 4.340 0.002 0.000 0.283 118 Q C -1.591 174.421 176.000 0.020 0.000 1.234 118 Q CA 0.295 56.110 55.803 0.020 0.000 0.877 118 Q CB -1.092 27.660 28.738 0.024 0.000 1.250 118 Q HN 0.646 nan 8.270 nan 0.000 0.481 119 A N 1.097 123.925 122.820 0.014 0.000 2.335 119 A HA 0.795 5.116 4.320 0.002 0.000 0.304 119 A C -0.319 177.267 177.584 0.003 0.000 1.118 119 A CA -0.330 51.713 52.037 0.011 0.000 0.757 119 A CB 0.876 19.882 19.000 0.010 0.000 1.188 119 A HN 0.635 nan 8.150 nan 0.000 0.460 120 I N -1.450 119.119 120.570 -0.001 0.000 3.191 120 I HA 0.627 4.798 4.170 0.002 0.000 0.313 120 I C -0.474 175.631 176.117 -0.021 0.000 1.193 120 I CA -1.313 59.979 61.300 -0.012 0.000 0.968 120 I CB 1.948 39.936 38.000 -0.020 0.000 1.262 120 I HN 0.488 nan 8.210 nan 0.000 0.456 121 R N 2.219 122.702 120.500 -0.029 0.000 2.291 121 R HA 0.199 4.540 4.340 0.002 0.000 0.333 121 R C 0.132 176.399 176.300 -0.055 0.000 1.082 121 R CA 0.102 56.182 56.100 -0.034 0.000 0.948 121 R CB 0.778 31.060 30.300 -0.029 0.000 1.009 121 R HN 0.713 nan 8.270 nan 0.000 0.460 122 Q N 2.213 121.987 119.800 -0.043 0.000 2.304 122 Q HA 0.089 4.430 4.340 0.002 0.000 0.204 122 Q C -1.694 174.287 176.000 -0.032 0.000 0.936 122 Q CA -0.067 55.705 55.803 -0.051 0.000 0.878 122 Q CB -0.153 28.590 28.738 0.007 0.000 0.983 122 Q HN 0.415 nan 8.270 nan 0.000 0.516 123 P HA -0.004 nan 4.420 nan 0.000 0.263 123 P C 0.233 177.506 177.300 -0.044 0.000 1.195 123 P CA 1.554 64.608 63.100 -0.076 0.000 0.762 123 P CB 0.569 32.233 31.700 -0.061 0.000 0.799 124 G N 3.111 111.901 108.800 -0.016 0.000 2.176 124 G HA2 -0.328 3.633 3.960 0.002 0.000 0.232 124 G HA3 -0.328 3.633 3.960 0.002 0.000 0.232 124 G C 0.839 175.739 174.900 0.000 0.000 0.986 124 G CA 0.252 45.362 45.100 0.017 0.000 0.643 124 G HN 0.525 nan 8.290 nan 0.000 0.522 125 M N -0.721 118.821 119.600 -0.096 0.000 2.460 125 M HA 0.322 4.803 4.480 0.002 0.000 0.263 125 M C 1.229 177.262 176.300 -0.446 0.000 1.071 125 M CA 1.497 56.585 55.300 -0.353 0.000 1.096 125 M CB -0.040 32.119 32.600 -0.734 0.000 1.408 125 M HN 0.217 nan 8.290 nan 0.000 0.463 126 F N -0.352 119.554 119.950 -0.073 0.000 2.688 126 F HA 0.499 5.028 4.527 0.004 0.000 0.310 126 F C 1.178 177.057 175.800 0.132 0.000 1.098 126 F CA -0.019 57.866 58.000 -0.192 0.000 1.228 126 F CB -0.687 38.207 39.000 -0.177 0.000 1.042 126 F HN 0.219 nan 8.300 nan 0.000 0.557 127 A N 0.508 123.479 122.820 0.251 0.000 5.585 127 A HA -0.333 3.988 4.320 0.002 0.000 0.295 127 A C 1.457 179.123 177.584 0.136 0.000 1.985 127 A CA 1.540 53.687 52.037 0.184 0.000 0.716 127 A CB -1.952 17.178 19.000 0.217 0.000 1.237 127 A HN 0.679 nan 8.150 nan 0.000 0.371 128 S N -0.854 114.840 115.700 -0.010 0.000 2.677 128 S HA 0.342 4.813 4.470 0.002 0.000 0.246 128 S C 0.917 175.443 174.600 -0.123 0.000 1.005 128 S CA 0.638 58.793 58.200 -0.075 0.000 1.062 128 S CB -0.348 62.766 63.200 -0.144 0.000 0.778 128 S HN 0.669 nan 8.310 nan 0.000 0.461 129 H N 1.745 120.912 119.070 0.162 0.000 2.431 129 H HA 0.220 4.776 4.556 0.001 0.000 0.295 129 H C -1.803 173.563 175.328 0.063 0.000 1.038 129 H CA -0.178 55.951 56.048 0.135 0.000 1.360 129 H CB -1.337 28.575 29.762 0.249 0.000 1.433 129 H HN 0.379 nan 8.280 nan 0.000 0.536 130 P HA 0.009 nan 4.420 nan 0.000 0.268 130 P C 0.809 178.125 177.300 0.027 0.000 1.205 130 P CA 0.451 63.601 63.100 0.084 0.000 0.771 130 P CB 0.939 32.729 31.700 0.150 0.000 0.858 131 T N 0.752 115.290 114.554 -0.027 0.000 2.674 131 T HA -0.110 4.241 4.350 0.002 0.000 0.265 131 T C 0.632 175.187 174.700 -0.242 0.000 1.039 131 T CA 1.536 63.548 62.100 -0.148 0.000 1.150 131 T CB -0.442 68.309 68.868 -0.196 0.000 0.864 131 T HN 0.464 nan 8.240 nan 0.000 0.427 132 H N 0.093 119.188 119.070 0.041 0.000 2.622 132 H HA 0.591 5.148 4.556 0.001 0.000 0.363 132 H C -0.854 174.519 175.328 0.075 0.000 1.151 132 H CA -0.571 55.504 56.048 0.046 0.000 1.184 132 H CB 1.774 31.543 29.762 0.011 0.000 1.643 132 H HN 0.054 nan 8.280 nan 0.000 0.531 133 S N 3.139 118.962 115.700 0.205 0.000 2.707 133 S HA 0.391 4.862 4.470 0.002 0.000 0.312 133 S C 0.419 175.063 174.600 0.073 0.000 1.116 133 S CA -0.669 57.612 58.200 0.136 0.000 1.078 133 S CB 0.626 63.889 63.200 0.104 0.000 0.997 133 S HN 0.351 nan 8.310 nan 0.000 0.477 134 I N 2.214 122.807 120.570 0.039 0.000 2.519 134 I HA 0.324 4.495 4.170 0.002 0.000 0.287 134 I C 0.639 176.723 176.117 -0.055 0.000 1.047 134 I CA -0.139 61.168 61.300 0.011 0.000 1.381 134 I CB 1.378 39.382 38.000 0.007 0.000 1.417 134 I HN 0.522 nan 8.210 nan 0.000 0.540 135 S N 7.170 122.870 115.700 -0.001 0.000 2.130 135 S HA 0.445 4.917 4.470 0.002 0.000 0.165 135 S C -0.286 174.359 174.600 0.076 0.000 1.677 135 S CA -0.695 57.491 58.200 -0.024 0.000 1.227 135 S CB -0.224 62.959 63.200 -0.027 0.000 1.115 135 S HN 0.419 nan 8.310 nan 0.000 0.452 136 L N 4.431 125.726 121.223 0.119 0.000 2.573 136 L HA 0.199 4.540 4.340 0.002 0.000 0.290 136 L C -1.574 175.397 176.870 0.169 0.000 1.247 136 L CA -1.040 53.952 54.840 0.253 0.000 0.876 136 L CB -0.181 42.062 42.059 0.306 0.000 1.123 136 L HN 0.402 nan 8.230 nan 0.000 0.505 137 P HA 0.067 nan 4.420 nan 0.000 0.274 137 P C -0.520 176.732 177.300 -0.080 0.000 1.231 137 P CA -0.675 62.445 63.100 0.034 0.000 0.790 137 P CB 0.597 32.290 31.700 -0.012 0.000 0.951 138 R N 2.601 122.998 120.500 -0.172 0.000 2.474 138 R HA -0.023 4.318 4.340 0.002 0.000 0.290 138 R C -1.871 174.129 176.300 -0.501 0.000 0.918 138 R CA -0.512 55.413 56.100 -0.293 0.000 1.130 138 R CB -0.759 29.416 30.300 -0.208 0.000 0.881 138 R HN 0.383 nan 8.270 nan 0.000 0.416 139 P HA 0.051 nan 4.420 nan 0.000 0.268 139 P C -0.992 175.959 177.300 -0.582 0.000 1.205 139 P CA 0.078 62.346 63.100 -1.387 0.000 0.771 139 P CB 1.433 32.195 31.700 -1.564 0.000 0.858 140 T N 0.685 114.986 114.554 -0.422 0.000 2.942 140 T HA 0.122 4.473 4.350 0.002 0.000 0.327 140 T C 0.320 174.736 174.700 -0.472 0.000 1.360 140 T CA -0.451 61.387 62.100 -0.436 0.000 1.055 140 T CB 1.142 69.843 68.868 -0.279 0.000 1.261 140 T HN 0.308 nan 8.240 nan 0.000 0.485 141 Q N 0.616 119.855 119.800 -0.935 0.000 2.488 141 Q HA -0.021 4.320 4.340 0.002 0.000 0.211 141 Q C 0.334 176.288 176.000 -0.076 0.000 0.967 141 Q CA 1.083 56.461 55.803 -0.709 0.000 0.926 141 Q CB 0.225 28.517 28.738 -0.743 0.000 0.992 141 Q HN 0.584 nan 8.270 nan 0.000 0.506 142 D N -0.314 120.040 120.400 -0.078 0.000 2.339 142 D HA 0.086 4.727 4.640 0.002 0.000 0.217 142 D C 0.058 176.415 176.300 0.094 0.000 1.050 142 D CA 0.370 54.382 54.000 0.020 0.000 0.856 142 D CB 0.497 41.271 40.800 -0.043 0.000 0.922 142 D HN 0.253 nan 8.370 nan 0.000 0.518 143 I N 3.280 123.975 120.570 0.209 0.000 2.321 143 I HA 0.190 4.362 4.170 0.002 0.000 0.291 143 I C -2.239 174.217 176.117 0.566 0.000 0.998 143 I CA -2.134 59.338 61.300 0.287 0.000 1.227 143 I CB 1.818 39.992 38.000 0.290 0.000 1.368 143 I HN -0.362 nan 8.210 nan 0.000 0.466 144 P HA 0.067 nan 4.420 nan 0.000 0.271 144 P C 0.568 177.885 177.300 0.029 0.000 1.216 144 P CA -0.120 63.102 63.100 0.204 0.000 0.771 144 P CB 1.269 32.993 31.700 0.041 0.000 0.864 145 A N 5.131 127.596 122.820 -0.592 0.000 1.985 145 A HA -0.285 4.036 4.320 0.002 0.000 0.223 145 A C 2.102 179.191 177.584 -0.826 0.000 1.189 145 A CA 2.381 53.837 52.037 -0.968 0.000 0.658 145 A CB -1.101 16.973 19.000 -1.544 0.000 0.820 145 A HN 0.727 nan 8.150 nan 0.000 0.464 146 R N -2.346 117.678 120.500 -0.794 0.000 2.235 146 R HA -0.097 4.244 4.340 0.002 0.000 0.213 146 R C 1.930 177.925 176.300 -0.508 0.000 1.059 146 R CA 1.170 56.649 56.100 -1.034 0.000 0.997 146 R CB -0.516 29.250 30.300 -0.889 0.000 0.884 146 R HN 0.678 nan 8.270 nan 0.000 0.462 147 W N 1.553 122.647 121.300 -0.344 0.000 2.408 147 W HA -0.087 4.574 4.660 0.001 0.000 0.311 147 W C 1.772 178.154 176.519 -0.230 0.000 1.190 147 W CA 0.839 58.072 57.345 -0.188 0.000 1.321 147 W CB -0.370 29.054 29.460 -0.060 0.000 1.143 147 W HN 0.087 nan 8.180 nan 0.000 0.501 148 L N 1.045 122.137 121.223 -0.219 0.000 1.989 148 L HA -0.167 4.174 4.340 0.002 0.000 0.211 148 L C 2.486 178.966 176.870 -0.651 0.000 1.071 148 L CA 2.537 57.069 54.840 -0.514 0.000 0.749 148 L CB -1.696 40.126 42.059 -0.395 0.000 0.890 148 L HN 0.108 nan 8.230 nan 0.000 0.431 149 V N -1.233 118.280 119.914 -0.668 0.000 2.515 149 V HA -0.181 3.940 4.120 0.002 0.000 0.250 149 V C 2.307 178.124 176.094 -0.462 0.000 1.058 149 V CA 2.065 64.004 62.300 -0.603 0.000 1.064 149 V CB -0.342 30.978 31.823 -0.839 0.000 0.675 149 V HN 0.648 nan 8.190 nan 0.000 0.461 150 S N 0.240 115.635 115.700 -0.508 0.000 2.402 150 S HA -0.149 4.322 4.470 0.002 0.000 0.229 150 S C 1.872 176.260 174.600 -0.354 0.000 1.021 150 S CA 1.718 59.746 58.200 -0.288 0.000 0.974 150 S CB -0.520 62.584 63.200 -0.160 0.000 0.800 150 S HN 0.765 nan 8.310 nan 0.000 0.484 151 T N 3.027 117.190 114.554 -0.651 0.000 2.746 151 T HA -0.004 4.347 4.350 0.002 0.000 0.267 151 T C 1.700 176.202 174.700 -0.330 0.000 1.039 151 T CA 0.895 62.658 62.100 -0.562 0.000 1.142 151 T CB -0.314 67.986 68.868 -0.945 0.000 0.866 151 T HN 0.209 nan 8.240 nan 0.000 0.444 152 I N 2.158 122.527 120.570 -0.335 0.000 2.163 152 I HA -0.143 4.028 4.170 0.002 0.000 0.243 152 I C 2.178 178.133 176.117 -0.271 0.000 1.085 152 I CA 1.243 62.394 61.300 -0.248 0.000 1.347 152 I CB -1.311 36.572 38.000 -0.195 0.000 1.044 152 I HN 0.159 nan 8.210 nan 0.000 0.408 153 D N -0.616 119.671 120.400 -0.189 0.000 2.117 153 D HA -0.219 4.422 4.640 0.002 0.000 0.197 153 D C 2.125 178.355 176.300 -0.117 0.000 0.987 153 D CA 1.442 55.387 54.000 -0.092 0.000 0.829 153 D CB -0.329 40.528 40.800 0.095 0.000 0.961 153 D HN 0.449 nan 8.370 nan 0.000 0.460 154 H N 0.792 119.759 119.070 -0.172 0.000 2.257 154 H HA -0.165 4.392 4.556 0.001 0.000 0.292 154 H C 1.867 177.023 175.328 -0.286 0.000 1.075 154 H CA 2.803 58.739 56.048 -0.187 0.000 1.212 154 H CB -0.531 29.115 29.762 -0.193 0.000 1.354 154 H HN 0.050 nan 8.280 nan 0.000 0.497 155 A N 1.208 123.668 122.820 -0.600 0.000 1.859 155 A HA -0.180 4.141 4.320 0.002 0.000 0.217 155 A C 2.598 179.943 177.584 -0.399 0.000 1.198 155 A CA 1.996 53.622 52.037 -0.685 0.000 0.629 155 A CB -0.981 17.791 19.000 -0.379 0.000 0.830 155 A HN 0.481 nan 8.150 nan 0.000 0.446 156 L N -0.708 120.286 121.223 -0.382 0.000 2.056 156 L HA -0.130 4.211 4.340 0.002 0.000 0.207 156 L C 2.809 179.574 176.870 -0.175 0.000 1.078 156 L CA 2.035 56.676 54.840 -0.331 0.000 0.749 156 L CB -2.036 39.604 42.059 -0.699 0.000 0.901 156 L HN 0.520 nan 8.230 nan 0.000 0.433 157 G N -0.446 108.248 108.800 -0.177 0.000 2.422 157 G HA2 -0.260 3.701 3.960 0.002 0.000 0.218 157 G HA3 -0.260 3.701 3.960 0.002 0.000 0.218 157 G C 1.401 176.295 174.900 -0.010 0.000 1.146 157 G CA 1.342 46.455 45.100 0.023 0.000 0.769 157 G HN 0.499 nan 8.290 nan 0.000 0.547 158 T N -1.862 112.633 114.554 -0.099 0.000 3.105 158 T HA 0.396 4.747 4.350 0.002 0.000 0.253 158 T C 0.636 175.400 174.700 0.107 0.000 1.047 158 T CA -0.542 61.550 62.100 -0.013 0.000 0.944 158 T CB 0.234 69.040 68.868 -0.103 0.000 1.016 158 T HN 0.033 nan 8.240 nan 0.000 0.544 159 L N 2.761 124.041 121.223 0.094 0.000 2.433 159 L HA 0.339 4.680 4.340 0.002 0.000 0.284 159 L C 1.233 178.170 176.870 0.113 0.000 1.120 159 L CA -0.057 54.862 54.840 0.131 0.000 0.879 159 L CB 0.063 42.185 42.059 0.105 0.000 1.232 159 L HN 0.316 nan 8.230 nan 0.000 0.454 160 H N 4.329 123.408 119.070 0.016 0.000 2.363 160 H HA 0.422 4.979 4.556 0.002 0.000 0.301 160 H C 0.304 175.631 175.328 -0.002 0.000 1.074 160 H CA 0.996 57.047 56.048 0.005 0.000 1.354 160 H CB 0.436 30.196 29.762 -0.003 0.000 1.397 160 H HN 0.718 nan 8.280 nan 0.000 0.516 161 A N -1.729 121.133 122.820 0.070 0.000 2.567 161 A HA 0.552 4.873 4.320 0.002 0.000 0.291 161 A C 0.063 177.653 177.584 0.009 0.000 1.048 161 A CA -0.212 51.825 52.037 0.000 0.000 0.661 161 A CB 0.329 19.336 19.000 0.011 0.000 1.288 161 A HN 0.985 nan 8.150 nan 0.000 0.424 162 G N -0.976 107.820 108.800 -0.006 0.000 2.660 162 G HA2 0.479 4.440 3.960 0.002 0.000 0.215 162 G HA3 0.479 4.440 3.960 0.002 0.000 0.215 162 G C 0.548 175.440 174.900 -0.014 0.000 1.345 162 G CA 0.125 45.220 45.100 -0.009 0.000 0.877 162 G HN 2.391 nan 8.290 nan 0.000 0.549 163 G N -1.817 106.972 108.800 -0.019 0.000 2.462 163 G HA2 0.728 4.689 3.960 0.002 0.000 0.319 163 G HA3 0.728 4.689 3.960 0.002 0.000 0.319 163 G C -0.741 174.168 174.900 0.014 0.000 1.171 163 G CA 0.160 45.245 45.100 -0.026 0.000 0.920 163 G HN 1.492 nan 8.290 nan 0.000 0.499 164 V N 0.768 120.703 119.914 0.034 0.000 2.525 164 V HA 0.264 4.385 4.120 0.002 0.000 0.299 164 V C -0.542 175.639 176.094 0.145 0.000 1.034 164 V CA -0.793 61.570 62.300 0.104 0.000 0.863 164 V CB 1.378 33.258 31.823 0.094 0.000 0.999 164 V HN 0.927 nan 8.190 nan 0.000 0.423 165 H N 5.497 124.611 119.070 0.074 0.000 2.620 165 H HA 0.612 5.168 4.556 0.001 0.000 0.313 165 H C -0.814 174.579 175.328 0.109 0.000 1.075 165 H CA -0.683 55.435 56.048 0.117 0.000 1.397 165 H CB 0.966 30.863 29.762 0.224 0.000 1.446 165 H HN 0.572 nan 8.280 nan 0.000 0.493 166 I N 5.425 126.244 120.570 0.414 0.000 2.437 166 I HA 0.040 4.211 4.170 0.002 0.000 0.279 166 I C -0.412 175.839 176.117 0.224 0.000 1.028 166 I CA -0.628 60.781 61.300 0.181 0.000 1.142 166 I CB 0.984 39.056 38.000 0.120 0.000 1.266 166 I HN 0.646 nan 8.210 nan 0.000 0.461 167 N N 4.834 123.532 118.700 -0.004 0.000 2.475 167 N HA 0.175 4.916 4.740 0.002 0.000 0.267 167 N C -1.019 174.533 175.510 0.070 0.000 1.169 167 N CA 0.119 53.215 53.050 0.076 0.000 0.947 167 N CB 0.613 39.058 38.487 -0.070 0.000 1.061 167 N HN 0.488 nan 8.380 nan 0.000 0.466 168 C N 6.561 125.921 119.300 0.099 0.000 2.492 168 C HA 0.405 4.866 4.460 0.002 0.000 0.284 168 C C -2.246 172.655 174.990 -0.149 0.000 1.082 168 C CA -1.436 57.583 59.018 0.002 0.000 1.555 168 C CB 0.174 28.014 27.740 0.167 0.000 1.798 168 C HN 0.636 nan 8.230 nan 0.000 0.413 169 P HA 0.316 nan 4.420 nan 0.000 0.271 169 P C -0.880 176.068 177.300 -0.586 0.000 1.218 169 P CA 0.275 63.248 63.100 -0.212 0.000 0.780 169 P CB 0.574 32.183 31.700 -0.152 0.000 0.901 170 F N 0.430 120.361 119.950 -0.030 0.000 2.556 170 F HA 0.525 5.053 4.527 0.002 0.000 0.314 170 F C 0.775 176.532 175.800 -0.071 0.000 1.106 170 F CA -0.922 57.036 58.000 -0.070 0.000 0.911 170 F CB 1.458 40.446 39.000 -0.020 0.000 1.190 170 F HN 0.308 nan 8.300 nan 0.000 0.448 171 A N 1.965 124.824 122.820 0.065 0.000 2.577 171 A HA 0.199 4.520 4.320 0.002 0.000 0.233 171 A C 0.007 177.625 177.584 0.057 0.000 1.076 171 A CA -0.035 52.016 52.037 0.023 0.000 0.767 171 A CB 0.100 19.098 19.000 -0.003 0.000 1.017 171 A HN 0.655 nan 8.150 nan 0.000 0.511 172 E N 0.959 121.173 120.200 0.024 0.000 2.166 172 E HA 0.573 4.924 4.350 0.002 0.000 0.275 172 E C -2.399 174.208 176.600 0.012 0.000 0.941 172 E CA -1.267 55.147 56.400 0.023 0.000 0.784 172 E CB 1.645 31.354 29.700 0.015 0.000 1.115 172 E HN 0.577 nan 8.360 nan 0.000 0.399 173 P HA 0.498 nan 4.420 nan 0.000 0.301 173 P C -1.022 176.286 177.300 0.012 0.000 1.361 173 P CA -0.770 62.337 63.100 0.013 0.000 0.994 173 P CB 1.203 32.907 31.700 0.006 0.000 1.234 179 D N -2.033 118.391 120.400 0.039 0.000 2.825 179 D HA 0.423 5.064 4.640 0.002 0.000 0.327 179 D C -0.635 175.699 176.300 0.058 0.000 1.277 179 D CA -0.466 53.558 54.000 0.040 0.000 0.950 179 D CB 0.302 41.124 40.800 0.037 0.000 1.438 179 D HN 0.017 nan 8.370 nan 0.000 0.526 180 D N -0.916 119.521 120.400 0.061 0.000 2.352 180 D HA 0.145 4.786 4.640 0.002 0.000 0.236 180 D C 0.853 177.217 176.300 0.105 0.000 1.148 180 D CA 0.358 54.403 54.000 0.074 0.000 0.844 180 D CB -0.098 40.738 40.800 0.060 0.000 0.933 180 D HN 0.355 nan 8.370 nan 0.000 0.507 181 T N -1.263 113.362 114.554 0.117 0.000 2.777 181 T HA -0.061 4.290 4.350 0.002 0.000 0.266 181 T C 1.891 176.745 174.700 0.257 0.000 1.040 181 T CA 1.189 63.376 62.100 0.146 0.000 1.141 181 T CB -0.068 68.874 68.868 0.124 0.000 0.868 181 T HN 0.278 nan 8.240 nan 0.000 0.444 182 G N 0.418 109.407 108.800 0.314 0.000 3.088 182 G HA2 0.178 4.139 3.960 0.002 0.000 0.212 182 G HA3 0.178 4.139 3.960 0.002 0.000 0.212 182 G C 1.230 176.428 174.900 0.496 0.000 1.173 182 G CA -0.140 45.258 45.100 0.497 0.000 0.779 182 G HN 0.251 nan 8.290 nan 0.000 0.540 183 L N 1.787 123.197 121.223 0.310 0.000 2.007 183 L HA -0.013 4.328 4.340 0.002 0.000 0.205 183 L C 2.991 180.002 176.870 0.235 0.000 1.073 183 L CA 2.421 57.397 54.840 0.226 0.000 0.744 183 L CB -0.733 41.408 42.059 0.138 0.000 0.898 183 L HN 0.266 nan 8.230 nan 0.000 0.435 184 S N -2.105 113.728 115.700 0.222 0.000 2.474 184 S HA -0.228 4.243 4.470 0.002 0.000 0.235 184 S C 1.716 176.482 174.600 0.277 0.000 0.997 184 S CA 0.764 59.085 58.200 0.202 0.000 0.949 184 S CB -1.194 62.100 63.200 0.156 0.000 0.766 184 S HN 0.605 nan 8.310 nan 0.000 0.517 185 W N 2.385 123.788 121.300 0.171 0.000 2.354 185 W HA -0.126 4.536 4.660 0.002 0.000 0.315 185 W C 2.351 178.994 176.519 0.207 0.000 1.206 185 W CA 1.660 59.129 57.345 0.207 0.000 1.290 185 W CB -0.521 29.142 29.460 0.338 0.000 1.152 185 W HN 0.243 nan 8.180 nan 0.000 0.489 186 Q N -0.126 119.882 119.800 0.347 0.000 2.135 186 Q HA -0.316 4.025 4.340 0.002 0.000 0.204 186 Q C 2.216 178.390 176.000 0.291 0.000 0.981 186 Q CA 2.110 58.050 55.803 0.229 0.000 0.856 186 Q CB -0.433 28.501 28.738 0.326 0.000 0.902 186 Q HN 0.527 nan 8.270 nan 0.000 0.425 187 Q N -0.333 119.589 119.800 0.203 0.000 2.291 187 Q HA -0.088 4.253 4.340 0.002 0.000 0.206 187 Q C 1.668 177.771 176.000 0.171 0.000 0.976 187 Q CA 0.591 56.507 55.803 0.189 0.000 0.875 187 Q CB 0.161 28.976 28.738 0.129 0.000 0.927 187 Q HN 0.154 nan 8.270 nan 0.000 0.450 188 R N 0.132 120.674 120.500 0.069 0.000 2.316 188 R HA -0.001 4.340 4.340 0.002 0.000 0.202 188 R C 1.486 177.787 176.300 0.002 0.000 1.029 188 R CA 0.567 56.677 56.100 0.018 0.000 1.018 188 R CB 0.007 30.274 30.300 -0.054 0.000 0.888 188 R HN 0.342 nan 8.270 nan 0.000 0.471 189 L N -0.388 120.831 121.223 -0.008 0.000 2.558 189 L HA 0.071 4.412 4.340 0.002 0.000 0.225 189 L C 1.413 178.477 176.870 0.324 0.000 1.128 189 L CA 0.332 55.147 54.840 -0.042 0.000 0.868 189 L CB -0.443 41.361 42.059 -0.424 0.000 1.006 189 L HN 0.265 nan 8.230 nan 0.000 0.454 190 G N 2.000 110.998 108.800 0.329 0.000 2.614 190 G HA2 -0.456 3.505 3.960 0.002 0.000 0.303 190 G HA3 -0.456 3.505 3.960 0.002 0.000 0.303 190 G C 0.443 175.573 174.900 0.383 0.000 1.270 190 G CA 0.615 45.905 45.100 0.316 0.000 0.988 190 G HN 0.565 nan 8.290 nan 0.000 0.551 191 D N -0.206 120.361 120.400 0.279 0.000 2.319 191 D HA 0.078 4.719 4.640 0.002 0.000 0.230 191 D C 1.565 178.004 176.300 0.231 0.000 1.094 191 D CA 0.900 55.035 54.000 0.224 0.000 0.856 191 D CB -0.543 40.332 40.800 0.126 0.000 0.915 191 D HN 0.614 nan 8.370 nan 0.000 0.517 192 W N 0.302 121.666 121.300 0.107 0.000 2.364 192 W HA -0.089 4.573 4.660 0.002 0.000 0.281 192 W C 0.807 177.310 176.519 -0.026 0.000 1.219 192 W CA 0.720 58.085 57.345 0.033 0.000 1.220 192 W CB -0.299 29.241 29.460 0.134 0.000 1.127 192 W HN -0.009 nan 8.180 nan 0.000 0.556 193 W N 0.066 121.481 121.300 0.192 0.000 2.611 193 W HA -0.085 4.576 4.660 0.001 0.000 0.251 193 W C 1.451 177.843 176.519 -0.212 0.000 1.265 193 W CA 0.686 58.001 57.345 -0.050 0.000 1.295 193 W CB -0.473 29.041 29.460 0.091 0.000 1.129 193 W HN -0.102 nan 8.180 nan 0.000 0.630 194 Q N -0.094 119.715 119.800 0.014 0.000 2.186 194 Q HA 0.095 4.436 4.340 0.002 0.000 0.241 194 Q C -0.512 175.398 176.000 -0.150 0.000 0.849 194 Q CA 0.110 55.882 55.803 -0.051 0.000 1.053 194 Q CB 0.263 29.004 28.738 0.005 0.000 1.146 194 Q HN -0.076 nan 8.270 nan 0.000 0.475 195 D N -0.915 119.302 120.400 -0.305 0.000 2.350 195 D HA 0.133 4.774 4.640 0.002 0.000 0.238 195 D C 0.207 176.327 176.300 -0.300 0.000 0.989 195 D CA -0.466 53.373 54.000 -0.269 0.000 0.921 195 D CB 1.465 42.105 40.800 -0.267 0.000 1.297 195 D HN -0.114 nan 8.370 nan 0.000 0.490 196 D N 0.783 121.059 120.400 -0.206 0.000 2.219 196 D HA -0.082 4.559 4.640 0.002 0.000 0.205 196 D C 0.162 176.338 176.300 -0.206 0.000 0.970 196 D CA 1.039 54.925 54.000 -0.191 0.000 0.851 196 D CB 0.389 41.109 40.800 -0.134 0.000 0.943 196 D HN 0.180 nan 8.370 nan 0.000 0.488 197 K N 0.596 120.881 120.400 -0.191 0.000 2.106 197 K HA 0.342 4.663 4.320 0.002 0.000 0.246 197 K C -2.409 174.153 176.600 -0.063 0.000 0.987 197 K CA -1.771 54.441 56.287 -0.125 0.000 0.904 197 K CB 0.864 33.317 32.500 -0.079 0.000 1.071 197 K HN -0.189 nan 8.250 nan 0.000 0.453 198 P HA -0.071 nan 4.420 nan 0.000 0.271 198 P C -0.034 177.482 177.300 0.360 0.000 1.244 198 P CA -0.271 62.911 63.100 0.135 0.000 0.793 198 P CB 0.381 32.075 31.700 -0.008 0.000 0.984 199 W N 2.046 123.497 121.300 0.250 0.000 2.476 199 W HA 0.069 4.731 4.660 0.002 0.000 0.281 199 W C -0.584 175.924 176.519 -0.019 0.000 1.230 199 W CA 0.742 58.101 57.345 0.023 0.000 1.287 199 W CB 0.056 29.241 29.460 -0.457 0.000 1.108 199 W HN 0.145 nan 8.180 nan 0.000 0.567 200 L N 2.258 123.583 121.223 0.170 0.000 2.471 200 L HA 0.442 4.784 4.340 0.002 0.000 0.263 200 L C -0.620 176.298 176.870 0.080 0.000 0.985 200 L CA -0.599 54.279 54.840 0.063 0.000 0.868 200 L CB 1.169 43.302 42.059 0.123 0.000 1.203 200 L HN -0.233 nan 8.230 nan 0.000 0.429 201 R N 3.595 124.114 120.500 0.032 0.000 2.316 201 R HA 0.362 4.703 4.340 0.002 0.000 0.314 201 R C -0.400 175.927 176.300 0.046 0.000 1.069 201 R CA -0.012 56.113 56.100 0.042 0.000 0.959 201 R CB 0.642 30.945 30.300 0.005 0.000 0.987 201 R HN 0.608 nan 8.270 nan 0.000 0.446 202 E N 2.444 122.684 120.200 0.067 0.000 2.621 202 E HA 0.293 4.644 4.350 0.002 0.000 0.263 202 E C -1.577 175.055 176.600 0.053 0.000 1.033 202 E CA -0.384 56.052 56.400 0.059 0.000 0.778 202 E CB 1.207 30.955 29.700 0.081 0.000 1.426 202 E HN 0.708 nan 8.360 nan 0.000 0.394 203 A N 5.224 128.073 122.820 0.048 0.000 3.258 203 A HA 0.390 4.711 4.320 0.002 0.000 0.318 203 A C -2.259 175.355 177.584 0.050 0.000 0.990 203 A CA -1.000 51.068 52.037 0.052 0.000 0.885 203 A CB 0.101 19.132 19.000 0.053 0.000 1.090 203 A HN 0.437 nan 8.150 nan 0.000 0.479 204 P HA 0.273 nan 4.420 nan 0.000 0.269 204 P C -0.492 176.844 177.300 0.060 0.000 1.215 204 P CA -0.037 63.092 63.100 0.047 0.000 0.780 204 P CB 0.704 32.430 31.700 0.044 0.000 0.898 205 R N 0.772 121.307 120.500 0.058 0.000 2.428 205 R HA 0.494 4.835 4.340 0.002 0.000 0.294 205 R C -0.434 175.897 176.300 0.052 0.000 1.000 205 R CA -1.058 55.091 56.100 0.081 0.000 0.960 205 R CB 0.816 31.159 30.300 0.072 0.000 1.076 205 R HN 0.329 nan 8.270 nan 0.000 0.475 206 L N 2.153 123.401 121.223 0.041 0.000 2.272 206 L HA 0.351 4.692 4.340 0.002 0.000 0.289 206 L C -0.657 176.188 176.870 -0.040 0.000 1.032 206 L CA 0.204 54.991 54.840 -0.088 0.000 0.810 206 L CB 0.941 42.775 42.059 -0.374 0.000 1.205 206 L HN 0.667 nan 8.230 nan 0.000 0.422 207 E N 2.852 123.041 120.200 -0.018 0.000 2.343 207 E HA 0.258 4.609 4.350 0.002 0.000 0.288 207 E C -1.185 175.429 176.600 0.024 0.000 0.907 207 E CA -0.401 56.014 56.400 0.026 0.000 0.792 207 E CB 1.633 31.369 29.700 0.060 0.000 1.275 207 E HN 0.621 nan 8.360 nan 0.000 0.402 208 S N 2.305 118.023 115.700 0.031 0.000 2.573 208 S HA 0.003 4.474 4.470 0.002 0.000 0.277 208 S C -0.039 174.609 174.600 0.080 0.000 1.346 208 S CA -0.070 58.153 58.200 0.038 0.000 1.034 208 S CB 0.428 63.642 63.200 0.023 0.000 0.879 208 S HN 0.490 nan 8.310 nan 0.000 0.528 209 E N 1.825 122.064 120.200 0.065 0.000 2.267 209 E HA 0.362 4.713 4.350 0.002 0.000 0.258 209 E C -0.484 176.180 176.600 0.106 0.000 1.074 209 E CA -1.097 55.344 56.400 0.069 0.000 0.915 209 E CB 0.591 30.316 29.700 0.041 0.000 1.186 209 E HN 0.419 nan 8.360 nan 0.000 0.439 210 K N 0.900 121.336 120.400 0.061 0.000 2.484 210 K HA -0.057 4.264 4.320 0.002 0.000 0.280 210 K C -0.317 176.373 176.600 0.150 0.000 1.013 210 K CA -0.053 56.253 56.287 0.033 0.000 1.029 210 K CB 0.465 32.893 32.500 -0.120 0.000 0.902 210 K HN 0.327 nan 8.250 nan 0.000 0.481 211 Q N 4.349 124.377 119.800 0.381 0.000 2.325 211 Q HA 0.005 4.346 4.340 0.002 0.000 0.256 211 Q C 0.428 176.604 176.000 0.293 0.000 1.142 211 Q CA 0.442 56.418 55.803 0.287 0.000 0.902 211 Q CB 0.736 29.622 28.738 0.246 0.000 1.350 211 Q HN 0.593 nan 8.270 nan 0.000 0.449 212 R N 1.383 122.019 120.500 0.227 0.000 2.241 212 R HA -0.135 4.206 4.340 0.002 0.000 0.224 212 R C 0.302 176.794 176.300 0.319 0.000 1.101 212 R CA 1.316 57.551 56.100 0.225 0.000 0.995 212 R CB 0.283 30.686 30.300 0.172 0.000 0.870 212 R HN 0.535 nan 8.270 nan 0.000 0.463 213 D N -1.092 119.565 120.400 0.428 0.000 2.368 213 D HA -0.114 4.527 4.640 0.002 0.000 0.218 213 D C 1.232 177.964 176.300 0.721 0.000 1.112 213 D CA -0.381 53.928 54.000 0.515 0.000 0.834 213 D CB -0.693 40.396 40.800 0.481 0.000 0.953 213 D HN 0.263 nan 8.370 nan 0.000 0.505 214 W N 0.663 122.227 121.300 0.440 0.000 2.325 214 W HA -0.241 4.420 4.660 0.002 0.000 0.299 214 W C 0.445 177.090 176.519 0.210 0.000 1.215 214 W CA 0.784 58.361 57.345 0.386 0.000 1.244 214 W CB -0.258 29.296 29.460 0.156 0.000 1.140 214 W HN -0.000 nan 8.180 nan 0.000 0.523 215 F N -0.738 119.327 119.950 0.193 0.000 2.325 215 F HA -0.167 4.361 4.527 0.002 0.000 0.299 215 F C 2.256 178.006 175.800 -0.083 0.000 1.090 215 F CA 0.945 58.918 58.000 -0.044 0.000 1.392 215 F CB -0.921 38.117 39.000 0.064 0.000 1.053 215 F HN -0.182 nan 8.300 nan 0.000 0.521 216 F N -0.005 119.961 119.950 0.027 0.000 2.022 216 F HA -0.196 4.332 4.527 0.002 0.000 0.293 216 F C 1.931 177.567 175.800 -0.273 0.000 1.142 216 F CA 1.517 59.409 58.000 -0.180 0.000 1.177 216 F CB -1.071 37.741 39.000 -0.313 0.000 0.982 216 F HN -0.101 nan 8.300 nan 0.000 0.473 217 W N 1.435 122.657 121.300 -0.130 0.000 2.331 217 W HA -0.205 4.456 4.660 0.002 0.000 0.291 217 W C 2.559 178.805 176.519 -0.455 0.000 1.214 217 W CA 1.544 58.718 57.345 -0.286 0.000 1.228 217 W CB -0.516 28.979 29.460 0.057 0.000 1.135 217 W HN 0.087 nan 8.180 nan 0.000 0.537 218 R N 1.197 121.332 120.500 -0.609 0.000 2.339 218 R HA -0.090 4.251 4.340 0.002 0.000 0.199 218 R C 0.987 177.081 176.300 -0.343 0.000 1.018 218 R CA 1.213 56.831 56.100 -0.802 0.000 1.036 218 R CB -0.389 29.064 30.300 -1.411 0.000 0.899 218 R HN 0.289 nan 8.270 nan 0.000 0.473 219 Q N 0.222 119.831 119.800 -0.318 0.000 2.282 219 Q HA 0.151 4.492 4.340 0.002 0.000 0.206 219 Q C -0.330 175.534 176.000 -0.227 0.000 0.878 219 Q CA -0.050 55.605 55.803 -0.246 0.000 0.944 219 Q CB 0.747 29.305 28.738 -0.300 0.000 1.100 219 Q HN 0.081 nan 8.270 nan 0.000 0.509 220 K N 0.891 121.161 120.400 -0.216 0.000 2.148 220 K HA 0.299 4.620 4.320 0.002 0.000 0.239 220 K C -0.056 176.328 176.600 -0.360 0.000 1.018 220 K CA -0.564 55.549 56.287 -0.289 0.000 0.923 220 K CB 0.497 32.844 32.500 -0.254 0.000 1.117 220 K HN -0.001 nan 8.250 nan 0.000 0.477 221 R N 0.777 120.868 120.500 -0.681 0.000 2.387 221 R HA 0.182 4.523 4.340 0.002 0.000 0.321 221 R C 0.574 176.190 176.300 -1.140 0.000 1.174 221 R CA -0.037 55.264 56.100 -1.332 0.000 1.002 221 R CB -0.374 28.695 30.300 -2.052 0.000 1.028 221 R HN 0.623 nan 8.270 nan 0.000 0.482 222 G N 1.126 108.846 108.800 -1.800 0.000 2.491 222 G HA2 0.530 4.491 3.960 0.002 0.000 0.327 222 G HA3 0.530 4.491 3.960 0.002 0.000 0.327 222 G C -0.880 173.353 174.900 -1.111 0.000 1.189 222 G CA -0.446 43.391 45.100 -2.106 0.000 0.956 222 G HN 0.279 nan 8.290 nan 0.000 0.491 223 V N -0.106 119.563 119.914 -0.410 0.000 2.656 223 V HA 0.462 4.583 4.120 0.002 0.000 0.307 223 V C -0.302 175.932 176.094 0.232 0.000 1.051 223 V CA -0.678 61.669 62.300 0.080 0.000 0.893 223 V CB 1.895 33.814 31.823 0.160 0.000 0.999 223 V HN 0.543 nan 8.190 nan 0.000 0.426 224 V N 4.687 124.829 119.914 0.380 0.000 2.472 224 V HA 0.565 4.686 4.120 0.002 0.000 0.290 224 V C -0.273 175.964 176.094 0.238 0.000 1.037 224 V CA -0.504 62.031 62.300 0.391 0.000 0.908 224 V CB 1.834 33.958 31.823 0.502 0.000 0.985 224 V HN 0.593 nan 8.190 nan 0.000 0.454 225 V N 3.691 123.713 119.914 0.180 0.000 2.531 225 V HA 0.774 4.895 4.120 0.002 0.000 0.301 225 V C 0.103 176.257 176.094 0.099 0.000 1.034 225 V CA -0.512 61.868 62.300 0.134 0.000 0.865 225 V CB 1.874 33.788 31.823 0.152 0.000 0.995 225 V HN 0.993 nan 8.190 nan 0.000 0.424 226 A N 3.727 126.595 122.820 0.080 0.000 2.287 226 A HA 0.886 5.207 4.320 0.002 0.000 0.317 226 A C 0.394 177.994 177.584 0.027 0.000 1.220 226 A CA 0.180 52.247 52.037 0.050 0.000 0.835 226 A CB 1.179 20.214 19.000 0.059 0.000 1.180 226 A HN 0.991 nan 8.150 nan 0.000 0.500 227 G N 0.758 109.564 108.800 0.010 0.000 2.940 227 G HA2 0.483 4.444 3.960 0.002 0.000 0.164 227 G HA3 0.483 4.444 3.960 0.002 0.000 0.164 227 G C 0.115 175.007 174.900 -0.014 0.000 1.326 227 G CA -0.816 44.283 45.100 0.000 0.000 1.020 227 G HN 0.890 nan 8.290 nan 0.000 0.586 228 R N 0.031 120.520 120.500 -0.019 0.000 2.442 228 R HA 0.451 4.792 4.340 0.002 0.000 0.291 228 R C -0.091 176.193 176.300 -0.027 0.000 1.069 228 R CA 0.337 56.422 56.100 -0.025 0.000 1.022 228 R CB 0.027 30.317 30.300 -0.017 0.000 0.976 228 R HN 0.592 nan 8.270 nan 0.000 0.443 229 M N 1.016 120.597 119.600 -0.033 0.000 2.880 229 M HA 0.304 4.785 4.480 0.002 0.000 0.269 229 M C -0.554 175.724 176.300 -0.036 0.000 1.248 229 M CA -1.096 54.184 55.300 -0.032 0.000 0.821 229 M CB 1.520 34.098 32.600 -0.037 0.000 1.650 229 M HN 0.556 nan 8.290 nan 0.000 0.479 230 S N 0.784 116.469 115.700 -0.026 0.000 2.580 230 S HA 0.451 4.922 4.470 0.002 0.000 0.266 230 S C 1.040 175.612 174.600 -0.047 0.000 1.354 230 S CA 0.125 58.308 58.200 -0.029 0.000 1.008 230 S CB 1.065 64.261 63.200 -0.008 0.000 0.898 230 S HN 0.972 nan 8.310 nan 0.000 0.555 231 A N 1.589 124.371 122.820 -0.063 0.000 1.930 231 A HA -0.039 4.282 4.320 0.002 0.000 0.217 231 A C 2.230 179.797 177.584 -0.029 0.000 1.175 231 A CA 1.289 53.290 52.037 -0.060 0.000 0.627 231 A CB -0.897 18.051 19.000 -0.086 0.000 0.815 231 A HN 0.896 nan 8.150 nan 0.000 0.443 232 E N 0.160 120.347 120.200 -0.022 0.000 2.085 232 E HA -0.214 4.137 4.350 0.002 0.000 0.194 232 E C 1.859 178.457 176.600 -0.005 0.000 0.994 232 E CA 1.435 57.829 56.400 -0.009 0.000 0.801 232 E CB -0.399 29.298 29.700 -0.006 0.000 0.743 232 E HN 0.772 nan 8.360 nan 0.000 0.453 233 E N -0.109 120.084 120.200 -0.011 0.000 2.118 233 E HA -0.160 4.191 4.350 0.002 0.000 0.195 233 E C 2.086 178.684 176.600 -0.004 0.000 0.992 233 E CA 1.032 57.423 56.400 -0.014 0.000 0.804 233 E CB -0.265 29.421 29.700 -0.024 0.000 0.741 233 E HN 0.319 nan 8.360 nan 0.000 0.458 234 G N 0.914 109.713 108.800 -0.002 0.000 2.422 234 G HA2 -0.271 3.690 3.960 0.002 0.000 0.218 234 G HA3 -0.271 3.690 3.960 0.002 0.000 0.218 234 G C 1.495 176.414 174.900 0.032 0.000 1.146 234 G CA 0.718 45.825 45.100 0.012 0.000 0.769 234 G HN 0.102 nan 8.290 nan 0.000 0.547 235 K N 0.246 120.661 120.400 0.026 0.000 2.001 235 K HA 0.020 4.341 4.320 0.002 0.000 0.208 235 K C 2.664 179.298 176.600 0.055 0.000 1.048 235 K CA 0.982 57.291 56.287 0.036 0.000 0.932 235 K CB -0.031 32.483 32.500 0.024 0.000 0.715 235 K HN 0.008 nan 8.250 nan 0.000 0.437 236 K N 0.521 120.948 120.400 0.046 0.000 2.063 236 K HA -0.142 4.179 4.320 0.002 0.000 0.208 236 K C 2.113 178.778 176.600 0.108 0.000 1.048 236 K CA 1.308 57.633 56.287 0.062 0.000 0.928 236 K CB -0.514 32.001 32.500 0.026 0.000 0.713 236 K HN 0.027 nan 8.250 nan 0.000 0.442 237 V N 1.733 121.696 119.914 0.081 0.000 2.295 237 V HA -0.248 3.873 4.120 0.002 0.000 0.246 237 V C 2.575 178.811 176.094 0.236 0.000 1.049 237 V CA 1.867 64.256 62.300 0.149 0.000 1.024 237 V CB -0.939 30.933 31.823 0.081 0.000 0.648 237 V HN 0.310 nan 8.190 nan 0.000 0.447 238 A N 0.461 123.370 122.820 0.149 0.000 1.903 238 A HA -0.250 4.071 4.320 0.002 0.000 0.219 238 A C 2.172 179.837 177.584 0.135 0.000 1.191 238 A CA 2.488 54.600 52.037 0.125 0.000 0.638 238 A CB -0.670 18.379 19.000 0.082 0.000 0.823 238 A HN 0.576 nan 8.150 nan 0.000 0.451 239 L N -3.297 118.012 121.223 0.144 0.000 2.179 239 L HA -0.076 4.265 4.340 0.002 0.000 0.208 239 L C 2.480 179.452 176.870 0.170 0.000 1.096 239 L CA 1.205 56.122 54.840 0.127 0.000 0.779 239 L CB -0.624 41.501 42.059 0.110 0.000 0.922 239 L HN 0.724 nan 8.230 nan 0.000 0.443 240 W N 1.561 122.876 121.300 0.025 0.000 2.388 240 W HA -0.096 4.565 4.660 0.002 0.000 0.294 240 W C 2.440 178.954 176.519 -0.010 0.000 1.212 240 W CA 1.462 58.821 57.345 0.023 0.000 1.271 240 W CB 0.060 29.553 29.460 0.055 0.000 1.126 240 W HN 0.068 nan 8.180 nan 0.000 0.535 241 A N -0.013 122.948 122.820 0.236 0.000 1.968 241 A HA -0.213 4.108 4.320 0.002 0.000 0.217 241 A C 2.045 179.585 177.584 -0.074 0.000 1.169 241 A CA 1.681 53.733 52.037 0.025 0.000 0.638 241 A CB -0.916 18.213 19.000 0.216 0.000 0.812 241 A HN 0.554 nan 8.150 nan 0.000 0.446 242 Q N -0.436 119.360 119.800 -0.006 0.000 2.049 242 Q HA -0.139 4.202 4.340 0.002 0.000 0.198 242 Q C 1.941 177.894 176.000 -0.079 0.000 0.971 242 Q CA 1.972 57.761 55.803 -0.025 0.000 0.833 242 Q CB -0.372 28.370 28.738 0.006 0.000 0.896 242 Q HN 0.555 nan 8.270 nan 0.000 0.434 243 T N 2.086 116.586 114.554 -0.090 0.000 2.721 243 T HA -0.191 4.160 4.350 0.002 0.000 0.268 243 T C 1.784 176.345 174.700 -0.231 0.000 1.038 243 T CA 1.412 63.434 62.100 -0.130 0.000 1.145 243 T CB -0.209 68.598 68.868 -0.101 0.000 0.858 243 T HN 0.275 nan 8.240 nan 0.000 0.459 244 L N -0.006 120.970 121.223 -0.411 0.000 2.313 244 L HA 0.148 4.489 4.340 0.002 0.000 0.214 244 L C 2.079 178.740 176.870 -0.348 0.000 1.119 244 L CA 0.738 55.210 54.840 -0.613 0.000 0.809 244 L CB -0.555 40.721 42.059 -1.305 0.000 0.933 244 L HN 0.573 nan 8.230 nan 0.000 0.449 245 G N -1.439 107.270 108.800 -0.152 0.000 2.136 245 G HA2 -0.234 3.727 3.960 0.002 0.000 0.242 245 G HA3 -0.234 3.727 3.960 0.002 0.000 0.242 245 G C -0.380 174.693 174.900 0.290 0.000 0.989 245 G CA -0.343 44.798 45.100 0.069 0.000 0.682 245 G HN 0.142 nan 8.290 nan 0.000 0.522 246 W N 0.892 122.193 121.300 0.001 0.000 2.551 246 W HA 0.593 5.254 4.660 0.002 0.000 0.330 246 W C -1.711 174.782 176.519 -0.044 0.000 1.063 246 W CA -3.201 54.176 57.345 0.054 0.000 1.222 246 W CB 0.588 30.129 29.460 0.134 0.000 1.349 246 W HN -0.006 nan 8.180 nan 0.000 0.536 247 P HA 0.146 nan 4.420 nan 0.000 0.269 247 P C -0.962 176.415 177.300 0.130 0.000 1.215 247 P CA -0.187 62.908 63.100 -0.009 0.000 0.780 247 P CB 1.300 32.909 31.700 -0.152 0.000 0.898 248 L N 3.450 124.745 121.223 0.121 0.000 2.343 248 L HA 0.470 4.811 4.340 0.002 0.000 0.278 248 L C -0.622 176.343 176.870 0.158 0.000 0.996 248 L CA -0.597 54.340 54.840 0.161 0.000 0.831 248 L CB 0.663 42.816 42.059 0.156 0.000 1.232 248 L HN 0.194 nan 8.230 nan 0.000 0.413 249 I N 5.017 125.672 120.570 0.141 0.000 2.325 249 I HA 0.578 4.749 4.170 0.002 0.000 0.291 249 I C 0.680 176.840 176.117 0.071 0.000 1.019 249 I CA -0.262 61.096 61.300 0.096 0.000 1.302 249 I CB 1.224 39.222 38.000 -0.003 0.000 1.401 249 I HN 0.774 nan 8.210 nan 0.000 0.485 250 G N 3.815 112.649 108.800 0.057 0.000 2.542 250 G HA2 0.469 4.430 3.960 0.002 0.000 0.311 250 G HA3 0.469 4.430 3.960 0.002 0.000 0.311 250 G C -1.724 173.184 174.900 0.012 0.000 1.298 250 G CA -0.376 44.749 45.100 0.042 0.000 0.973 250 G HN 0.602 nan 8.290 nan 0.000 0.487 251 D N 0.221 120.624 120.400 0.003 0.000 2.326 251 D HA 0.415 5.056 4.640 0.002 0.000 0.248 251 D C 1.774 178.064 176.300 -0.017 0.000 1.001 251 D CA -0.507 53.485 54.000 -0.014 0.000 0.961 251 D CB 2.051 42.844 40.800 -0.011 0.000 1.183 251 D HN 0.227 nan 8.370 nan 0.000 0.502 252 V N 0.769 120.666 119.914 -0.027 0.000 2.380 252 V HA -0.220 3.901 4.120 0.002 0.000 0.251 252 V C 2.048 178.120 176.094 -0.037 0.000 1.063 252 V CA 1.395 63.676 62.300 -0.031 0.000 1.055 252 V CB -1.136 30.664 31.823 -0.039 0.000 0.657 252 V HN 0.580 nan 8.190 nan 0.000 0.455 253 L N 1.500 122.698 121.223 -0.041 0.000 2.610 253 L HA -0.002 4.339 4.340 0.002 0.000 0.232 253 L C 2.568 179.412 176.870 -0.045 0.000 1.149 253 L CA 1.076 55.885 54.840 -0.051 0.000 0.872 253 L CB -0.469 41.562 42.059 -0.048 0.000 0.992 253 L HN 0.628 nan 8.230 nan 0.000 0.447 254 S N -0.879 114.804 115.700 -0.027 0.000 2.439 254 S HA -0.125 4.346 4.470 0.002 0.000 0.224 254 S C 1.067 175.656 174.600 -0.019 0.000 1.029 254 S CA 0.074 58.264 58.200 -0.018 0.000 0.946 254 S CB 0.040 63.242 63.200 0.003 0.000 0.797 254 S HN 0.469 nan 8.310 nan 0.000 0.504 255 Q N 0.767 120.558 119.800 -0.015 0.000 2.481 255 Q HA -0.148 4.193 4.340 0.002 0.000 0.272 255 Q C 0.917 176.924 176.000 0.012 0.000 1.157 255 Q CA 1.060 56.862 55.803 -0.002 0.000 0.935 255 Q CB -2.701 26.025 28.738 -0.021 0.000 1.338 255 Q HN 0.907 nan 8.270 nan 0.000 0.494 256 T N -5.470 109.096 114.554 0.019 0.000 3.067 256 T HA 0.340 4.691 4.350 0.002 0.000 0.261 256 T C 1.636 176.356 174.700 0.034 0.000 1.110 256 T CA 0.810 62.931 62.100 0.034 0.000 1.113 256 T CB 0.585 69.483 68.868 0.051 0.000 0.917 256 T HN 1.009 nan 8.240 nan 0.000 0.499 257 G N 1.107 109.921 108.800 0.023 0.000 2.232 257 G HA2 -0.290 3.671 3.960 0.002 0.000 0.226 257 G HA3 -0.290 3.671 3.960 0.002 0.000 0.226 257 G C 0.289 175.200 174.900 0.019 0.000 0.996 257 G CA 0.045 45.154 45.100 0.016 0.000 0.626 257 G HN 0.652 nan 8.290 nan 0.000 0.509 258 Q N -1.022 118.797 119.800 0.033 0.000 2.464 258 Q HA -0.156 4.185 4.340 0.002 0.000 0.304 258 Q C -1.038 174.993 176.000 0.051 0.000 1.401 258 Q CA 0.701 56.531 55.803 0.046 0.000 0.806 258 Q CB -0.974 27.785 28.738 0.035 0.000 1.134 258 Q HN 0.588 nan 8.270 nan 0.000 0.411 259 P HA -0.153 nan 4.420 nan 0.000 0.226 259 P C 0.102 177.417 177.300 0.025 0.000 1.146 259 P CA 1.184 64.300 63.100 0.026 0.000 0.773 259 P CB 0.204 31.916 31.700 0.021 0.000 0.772 260 L N 0.595 121.865 121.223 0.079 0.000 2.435 260 L HA 0.437 4.779 4.340 0.002 0.000 0.253 260 L C -2.441 174.601 176.870 0.287 0.000 1.087 260 L CA -2.362 52.551 54.840 0.121 0.000 0.950 260 L CB 1.013 43.145 42.059 0.121 0.000 1.304 260 L HN -0.257 nan 8.230 nan 0.000 0.453 261 P HA -0.008 nan 4.420 nan 0.000 0.270 261 P C 0.305 177.755 177.300 0.249 0.000 1.221 261 P CA -0.214 62.983 63.100 0.162 0.000 0.788 261 P CB 0.417 32.177 31.700 0.101 0.000 0.904 262 C N -0.277 119.096 119.300 0.122 0.000 4.454 262 C HA -0.098 4.363 4.460 0.002 0.000 0.301 262 C C 1.843 176.784 174.990 -0.082 0.000 1.366 262 C CA 0.144 59.204 59.018 0.070 0.000 2.016 262 C CB -3.114 24.699 27.740 0.122 0.000 1.253 262 C HN 0.737 nan 8.230 nan 0.000 0.770 263 A N -0.217 122.382 122.820 -0.368 0.000 2.121 263 A HA -0.110 4.211 4.320 0.002 0.000 0.218 263 A C 1.767 178.898 177.584 -0.755 0.000 1.154 263 A CA 2.184 53.504 52.037 -1.194 0.000 0.679 263 A CB -0.311 18.084 19.000 -1.008 0.000 0.795 263 A HN 0.760 nan 8.150 nan 0.000 0.458 264 D N -0.693 119.493 120.400 -0.358 0.000 2.277 264 D HA -0.017 4.624 4.640 0.002 0.000 0.208 264 D C 1.756 177.955 176.300 -0.169 0.000 0.962 264 D CA 0.734 54.597 54.000 -0.228 0.000 0.865 264 D CB -0.020 40.702 40.800 -0.130 0.000 0.939 264 D HN 0.469 nan 8.370 nan 0.000 0.510 265 L N -0.038 121.102 121.223 -0.139 0.000 2.071 265 L HA 0.073 4.414 4.340 0.002 0.000 0.201 265 L C 2.406 179.284 176.870 0.014 0.000 1.076 265 L CA 0.530 55.350 54.840 -0.032 0.000 0.755 265 L CB -0.875 41.204 42.059 0.032 0.000 0.915 265 L HN 0.361 nan 8.230 nan 0.000 0.445 266 W N 0.485 121.758 121.300 -0.045 0.000 2.595 266 W HA -0.019 4.642 4.660 0.002 0.000 0.257 266 W C 1.208 177.681 176.519 -0.076 0.000 1.267 266 W CA 0.122 57.432 57.345 -0.058 0.000 1.300 266 W CB -0.556 28.861 29.460 -0.072 0.000 1.120 266 W HN 0.118 nan 8.180 nan 0.000 0.618 267 L N 1.936 122.988 121.223 -0.284 0.000 2.675 267 L HA 0.156 4.497 4.340 0.002 0.000 0.238 267 L C 2.352 179.202 176.870 -0.034 0.000 1.155 267 L CA 0.951 55.641 54.840 -0.249 0.000 0.881 267 L CB -0.738 41.029 42.059 -0.487 0.000 1.008 267 L HN 0.124 nan 8.230 nan 0.000 0.443 268 G N -1.376 107.439 108.800 0.025 0.000 3.126 268 G HA2 -0.067 3.894 3.960 0.002 0.000 0.224 268 G HA3 -0.067 3.894 3.960 0.002 0.000 0.224 268 G C 0.463 175.410 174.900 0.078 0.000 1.142 268 G CA -0.266 44.863 45.100 0.048 0.000 0.759 268 G HN 0.197 nan 8.290 nan 0.000 0.550 269 N N 1.009 119.771 118.700 0.104 0.000 2.426 269 N HA 0.369 5.110 4.740 0.002 0.000 0.275 269 N C 1.364 176.925 175.510 0.085 0.000 1.019 269 N CA 0.169 53.275 53.050 0.094 0.000 0.941 269 N CB 1.805 40.357 38.487 0.107 0.000 1.123 269 N HN -0.052 nan 8.380 nan 0.000 0.486 270 A N 4.851 127.708 122.820 0.061 0.000 1.978 270 A HA -0.159 4.162 4.320 0.002 0.000 0.220 270 A C 1.954 179.572 177.584 0.057 0.000 1.170 270 A CA 1.344 53.417 52.037 0.060 0.000 0.636 270 A CB -0.179 18.845 19.000 0.039 0.000 0.810 270 A HN 0.821 nan 8.150 nan 0.000 0.448 271 K N -0.177 120.246 120.400 0.039 0.000 2.026 271 K HA -0.091 4.230 4.320 0.002 0.000 0.208 271 K C 2.365 178.979 176.600 0.023 0.000 1.048 271 K CA 1.224 57.524 56.287 0.021 0.000 0.929 271 K CB -0.378 32.121 32.500 -0.002 0.000 0.713 271 K HN 0.442 nan 8.250 nan 0.000 0.439 272 A N 1.491 124.336 122.820 0.042 0.000 1.845 272 A HA -0.197 4.124 4.320 0.002 0.000 0.215 272 A C 2.402 180.042 177.584 0.094 0.000 1.195 272 A CA 2.496 54.572 52.037 0.065 0.000 0.616 272 A CB -1.398 17.730 19.000 0.212 0.000 0.832 272 A HN 0.500 nan 8.150 nan 0.000 0.443 273 T N -1.860 112.766 114.554 0.119 0.000 2.833 273 T HA -0.168 4.183 4.350 0.002 0.000 0.269 273 T C 1.990 176.800 174.700 0.183 0.000 1.054 273 T CA 2.016 64.218 62.100 0.170 0.000 1.135 273 T CB -0.733 68.260 68.868 0.209 0.000 0.869 273 T HN 0.642 nan 8.240 nan 0.000 0.466 274 S N 0.801 116.578 115.700 0.129 0.000 2.489 274 S HA -0.004 4.467 4.470 0.002 0.000 0.228 274 S C 1.984 176.660 174.600 0.126 0.000 0.995 274 S CA 0.803 59.075 58.200 0.120 0.000 0.934 274 S CB -0.412 62.839 63.200 0.085 0.000 0.771 274 S HN 0.662 nan 8.310 nan 0.000 0.522 275 E N 0.336 120.600 120.200 0.107 0.000 2.152 275 E HA 0.065 4.416 4.350 0.002 0.000 0.192 275 E C 1.716 178.465 176.600 0.249 0.000 0.983 275 E CA 0.831 57.305 56.400 0.123 0.000 0.818 275 E CB -0.086 29.598 29.700 -0.027 0.000 0.758 275 E HN 0.577 nan 8.360 nan 0.000 0.467 276 L N 0.280 121.646 121.223 0.239 0.000 2.313 276 L HA -0.072 4.269 4.340 0.002 0.000 0.214 276 L C 2.230 179.335 176.870 0.393 0.000 1.119 276 L CA 0.550 55.613 54.840 0.371 0.000 0.809 276 L CB -0.035 42.243 42.059 0.366 0.000 0.933 276 L HN 0.092 nan 8.230 nan 0.000 0.449 277 Q N -0.255 119.719 119.800 0.291 0.000 2.364 277 Q HA -0.183 4.158 4.340 0.002 0.000 0.207 277 Q C 1.860 177.947 176.000 0.145 0.000 0.970 277 Q CA 0.971 56.895 55.803 0.201 0.000 0.888 277 Q CB 0.128 28.958 28.738 0.154 0.000 0.951 277 Q HN 0.553 nan 8.270 nan 0.000 0.469 278 Q N -0.536 119.370 119.800 0.176 0.000 2.424 278 Q HA 0.160 4.501 4.340 0.002 0.000 0.204 278 Q C 0.038 175.977 176.000 -0.102 0.000 0.933 278 Q CA -0.043 55.800 55.803 0.067 0.000 0.929 278 Q CB 0.430 29.245 28.738 0.128 0.000 1.037 278 Q HN 0.196 nan 8.270 nan 0.000 0.511 279 A N 0.956 123.781 122.820 0.009 0.000 2.511 279 A HA -0.034 4.288 4.320 0.002 0.000 0.242 279 A C 0.599 178.081 177.584 -0.171 0.000 1.069 279 A CA 0.080 52.029 52.037 -0.147 0.000 0.763 279 A CB 0.445 19.517 19.000 0.120 0.000 1.001 279 A HN 0.296 nan 8.150 nan 0.000 0.498 280 Q N 0.421 120.052 119.800 -0.281 0.000 2.373 280 Q HA 0.224 4.565 4.340 0.002 0.000 0.210 280 Q C -0.097 175.815 176.000 -0.146 0.000 0.913 280 Q CA 0.431 56.157 55.803 -0.128 0.000 0.911 280 Q CB 0.453 29.158 28.738 -0.056 0.000 1.040 280 Q HN 0.730 nan 8.270 nan 0.000 0.521 281 I N -0.409 119.965 120.570 -0.325 0.000 2.769 281 I HA 0.350 4.521 4.170 0.002 0.000 0.298 281 I C -1.729 174.083 176.117 -0.509 0.000 1.128 281 I CA -1.565 59.426 61.300 -0.513 0.000 1.031 281 I CB 2.377 40.021 38.000 -0.592 0.000 1.235 281 I HN -0.325 nan 8.210 nan 0.000 0.423 282 V N 7.380 126.959 119.914 -0.558 0.000 2.409 282 V HA 0.435 4.556 4.120 0.002 0.000 0.290 282 V C -0.587 175.210 176.094 -0.495 0.000 1.017 282 V CA -0.729 61.275 62.300 -0.494 0.000 0.841 282 V CB 1.592 33.017 31.823 -0.663 0.000 1.003 282 V HN 0.503 nan 8.190 nan 0.000 0.426 283 V N 5.299 125.130 119.914 -0.138 0.000 2.385 283 V HA 0.362 4.484 4.120 0.002 0.000 0.269 283 V C 0.182 176.276 176.094 -0.000 0.000 1.043 283 V CA -0.279 62.035 62.300 0.023 0.000 0.906 283 V CB 1.365 33.430 31.823 0.403 0.000 0.995 283 V HN 0.933 nan 8.190 nan 0.000 0.467 284 Q N 5.403 125.151 119.800 -0.087 0.000 2.307 284 Q HA 0.481 4.822 4.340 0.002 0.000 0.262 284 Q C -1.670 174.292 176.000 -0.063 0.000 0.961 284 Q CA -0.754 55.039 55.803 -0.016 0.000 0.882 284 Q CB 1.442 30.214 28.738 0.057 0.000 1.264 284 Q HN 0.549 nan 8.270 nan 0.000 0.446 285 L N 3.553 124.738 121.223 -0.064 0.000 2.307 285 L HA 0.618 4.959 4.340 0.002 0.000 0.284 285 L C 0.891 177.709 176.870 -0.086 0.000 1.023 285 L CA 0.447 55.199 54.840 -0.147 0.000 0.810 285 L CB 0.411 42.371 42.059 -0.164 0.000 1.231 285 L HN 1.008 nan 8.230 nan 0.000 0.423 286 G N 3.135 111.874 108.800 -0.102 0.000 2.806 286 G HA2 -0.095 3.866 3.960 0.002 0.000 0.236 286 G HA3 -0.095 3.866 3.960 0.002 0.000 0.236 286 G C -0.083 174.803 174.900 -0.025 0.000 1.387 286 G CA 0.061 45.127 45.100 -0.057 0.000 0.884 286 G HN 1.100 nan 8.290 nan 0.000 0.560 287 S N -3.083 112.609 115.700 -0.014 0.000 3.070 287 S HA 0.773 5.244 4.470 0.002 0.000 0.320 287 S C 0.523 175.122 174.600 -0.002 0.000 1.215 287 S CA 0.716 58.917 58.200 0.001 0.000 0.956 287 S CB 0.922 64.120 63.200 -0.002 0.000 1.337 287 S HN 2.493 nan 8.310 nan 0.000 0.639 288 S N 0.626 116.325 115.700 -0.002 0.000 3.628 288 S HA -0.098 4.373 4.470 0.002 0.000 0.373 288 S C -0.179 174.416 174.600 -0.008 0.000 0.968 288 S CA 0.105 58.300 58.200 -0.008 0.000 1.215 288 S CB -1.840 61.353 63.200 -0.013 0.000 0.912 288 S HN 0.682 nan 8.310 nan 0.000 0.495 289 L N 1.284 122.509 121.223 0.003 0.000 2.514 289 L HA 0.132 4.473 4.340 0.002 0.000 0.280 289 L C 1.880 178.745 176.870 -0.009 0.000 1.223 289 L CA 1.091 55.934 54.840 0.005 0.000 0.864 289 L CB -0.093 41.981 42.059 0.025 0.000 1.118 289 L HN 0.450 nan 8.230 nan 0.000 0.494 290 T N 1.247 115.790 114.554 -0.019 0.000 2.901 290 T HA 0.054 4.405 4.350 0.002 0.000 0.252 290 T C 0.881 175.564 174.700 -0.028 0.000 1.035 290 T CA 0.691 62.774 62.100 -0.028 0.000 1.142 290 T CB -0.165 68.681 68.868 -0.036 0.000 0.869 290 T HN 0.751 nan 8.240 nan 0.000 0.442 291 G N 1.376 110.156 108.800 -0.035 0.000 2.378 291 G HA2 0.195 4.156 3.960 0.002 0.000 0.255 291 G HA3 0.195 4.156 3.960 0.002 0.000 0.255 291 G C 0.771 175.654 174.900 -0.027 0.000 1.270 291 G CA -0.398 44.677 45.100 -0.043 0.000 0.876 291 G HN 0.207 nan 8.290 nan 0.000 0.521 292 K N 1.257 121.643 120.400 -0.024 0.000 2.071 292 K HA -0.228 4.093 4.320 0.002 0.000 0.217 292 K C 2.545 179.141 176.600 -0.006 0.000 1.054 292 K CA 1.548 57.827 56.287 -0.013 0.000 0.937 292 K CB -0.007 32.485 32.500 -0.013 0.000 0.719 292 K HN 0.429 nan 8.250 nan 0.000 0.454 293 R N 0.316 120.798 120.500 -0.029 0.000 2.073 293 R HA -0.103 4.238 4.340 0.002 0.000 0.229 293 R C 2.374 178.683 176.300 0.014 0.000 1.120 293 R CA 0.772 56.858 56.100 -0.024 0.000 0.967 293 R CB -0.970 29.278 30.300 -0.087 0.000 0.862 293 R HN 0.255 nan 8.270 nan 0.000 0.436 294 L N 1.266 122.472 121.223 -0.027 0.000 2.056 294 L HA -0.065 4.276 4.340 0.002 0.000 0.207 294 L C 2.181 179.130 176.870 0.132 0.000 1.078 294 L CA 1.429 56.297 54.840 0.046 0.000 0.749 294 L CB -0.555 41.491 42.059 -0.020 0.000 0.901 294 L HN 0.046 nan 8.230 nan 0.000 0.433 295 L N -0.841 120.420 121.223 0.062 0.000 2.013 295 L HA -0.304 4.037 4.340 0.002 0.000 0.212 295 L C 2.696 179.596 176.870 0.050 0.000 1.073 295 L CA 1.803 56.672 54.840 0.047 0.000 0.753 295 L CB -0.618 41.449 42.059 0.012 0.000 0.890 295 L HN 0.404 nan 8.230 nan 0.000 0.432 296 Q N -1.313 118.524 119.800 0.062 0.000 2.050 296 Q HA -0.269 4.072 4.340 0.002 0.000 0.202 296 Q C 1.997 178.054 176.000 0.095 0.000 0.980 296 Q CA 2.162 58.000 55.803 0.059 0.000 0.840 296 Q CB -0.294 28.483 28.738 0.065 0.000 0.898 296 Q HN 0.548 nan 8.270 nan 0.000 0.424 297 W N 1.471 122.762 121.300 -0.014 0.000 2.355 297 W HA -0.216 4.445 4.660 0.002 0.000 0.309 297 W C 2.226 178.770 176.519 0.041 0.000 1.206 297 W CA 1.767 59.116 57.345 0.008 0.000 1.284 297 W CB -0.307 29.143 29.460 -0.017 0.000 1.145 297 W HN 0.133 nan 8.180 nan 0.000 0.502 298 Q N 0.567 120.371 119.800 0.007 0.000 2.096 298 Q HA -0.215 4.126 4.340 0.002 0.000 0.204 298 Q C 2.154 178.033 176.000 -0.201 0.000 0.982 298 Q CA 2.237 57.917 55.803 -0.205 0.000 0.850 298 Q CB -0.704 28.059 28.738 0.041 0.000 0.901 298 Q HN 0.326 nan 8.270 nan 0.000 0.422 299 A N 0.561 123.320 122.820 -0.102 0.000 2.024 299 A HA -0.156 4.165 4.320 0.002 0.000 0.220 299 A C 2.101 179.617 177.584 -0.113 0.000 1.164 299 A CA 2.064 54.046 52.037 -0.092 0.000 0.643 299 A CB -0.412 18.538 19.000 -0.084 0.000 0.806 299 A HN 0.601 nan 8.150 nan 0.000 0.451 300 S N -1.540 114.060 115.700 -0.167 0.000 2.520 300 S HA 0.047 4.518 4.470 0.002 0.000 0.219 300 S C 0.946 175.435 174.600 -0.186 0.000 1.028 300 S CA 0.288 58.402 58.200 -0.143 0.000 0.921 300 S CB -1.491 61.652 63.200 -0.095 0.000 0.844 300 S HN 0.975 nan 8.310 nan 0.000 0.495 301 C N 2.718 121.772 119.300 -0.409 0.000 2.703 301 C HA 0.458 4.919 4.460 0.002 0.000 0.411 301 C C 1.413 176.345 174.990 -0.097 0.000 1.290 301 C CA 0.108 58.866 59.018 -0.434 0.000 2.054 301 C CB 0.016 27.163 27.740 -0.988 0.000 2.732 301 C HN 0.698 nan 8.230 nan 0.000 0.650 302 E N 1.842 122.024 120.200 -0.030 0.000 2.501 302 E HA 0.169 4.520 4.350 0.002 0.000 0.201 302 E C -1.518 175.125 176.600 0.071 0.000 1.016 302 E CA -0.374 56.050 56.400 0.041 0.000 0.920 302 E CB -0.484 29.248 29.700 0.054 0.000 1.023 302 E HN 0.825 nan 8.360 nan 0.000 0.474 303 P HA -0.062 nan 4.420 nan 0.000 0.269 303 P C 0.545 177.875 177.300 0.050 0.000 1.211 303 P CA 0.178 63.289 63.100 0.019 0.000 0.781 303 P CB 1.059 32.729 31.700 -0.050 0.000 0.877 304 E N 0.145 120.375 120.200 0.051 0.000 2.130 304 E HA -0.204 4.147 4.350 0.002 0.000 0.196 304 E C 0.208 176.851 176.600 0.072 0.000 0.998 304 E CA 1.243 57.713 56.400 0.116 0.000 0.806 304 E CB 0.269 30.113 29.700 0.241 0.000 0.738 304 E HN 0.553 nan 8.360 nan 0.000 0.459 305 E N -1.263 118.896 120.200 -0.069 0.000 2.304 305 E HA 0.181 4.532 4.350 0.002 0.000 0.277 305 E C -2.054 174.503 176.600 -0.072 0.000 0.898 305 E CA -0.555 55.798 56.400 -0.077 0.000 0.764 305 E CB 1.224 30.720 29.700 -0.339 0.000 1.216 305 E HN 0.036 nan 8.360 nan 0.000 0.419 306 Y N 3.968 124.304 120.300 0.061 0.000 2.328 306 Y HA 0.462 5.013 4.550 0.002 0.000 0.337 306 Y C -1.417 174.690 175.900 0.346 0.000 0.966 306 Y CA -0.537 57.586 58.100 0.039 0.000 1.136 306 Y CB 0.737 39.147 38.460 -0.084 0.000 1.170 306 Y HN 0.448 nan 8.280 nan 0.000 0.470 307 W N 7.299 128.459 121.300 -0.234 0.000 2.529 307 W HA 0.560 5.221 4.660 0.002 0.000 0.321 307 W C -1.102 175.348 176.519 -0.115 0.000 1.047 307 W CA -1.725 55.550 57.345 -0.118 0.000 1.216 307 W CB 1.039 30.413 29.460 -0.144 0.000 1.357 307 W HN 0.352 nan 8.180 nan 0.000 0.489 308 I N 4.250 124.916 120.570 0.159 0.000 2.371 308 I HA 0.202 4.373 4.170 0.002 0.000 0.282 308 I C -0.297 175.715 176.117 -0.174 0.000 1.031 308 I CA -0.897 60.419 61.300 0.026 0.000 1.180 308 I CB 0.689 38.742 38.000 0.088 0.000 1.336 308 I HN -0.126 nan 8.210 nan 0.000 0.467 309 V N 5.194 124.898 119.914 -0.350 0.000 2.461 309 V HA 0.450 4.571 4.120 0.002 0.000 0.275 309 V C -0.231 175.648 176.094 -0.359 0.000 1.047 309 V CA 0.036 61.981 62.300 -0.590 0.000 0.955 309 V CB 1.376 32.475 31.823 -1.207 0.000 0.988 309 V HN 0.657 nan 8.190 nan 0.000 0.471 310 D N 2.164 122.407 120.400 -0.262 0.000 2.706 310 D HA 0.146 4.787 4.640 0.002 0.000 0.227 310 D C -0.393 175.865 176.300 -0.070 0.000 1.233 310 D CA -0.503 53.411 54.000 -0.144 0.000 0.768 310 D CB 1.951 42.696 40.800 -0.092 0.000 1.490 310 D HN 0.657 nan 8.370 nan 0.000 0.458 311 D N 1.631 122.018 120.400 -0.022 0.000 2.348 311 D HA 0.064 4.705 4.640 0.002 0.000 0.248 311 D C 0.969 177.352 176.300 0.138 0.000 1.142 311 D CA 0.145 54.188 54.000 0.071 0.000 0.904 311 D CB -0.503 40.312 40.800 0.025 0.000 0.901 311 D HN 0.439 nan 8.370 nan 0.000 0.523 312 I N -3.048 117.562 120.570 0.067 0.000 2.793 312 I HA 0.522 4.693 4.170 0.002 0.000 0.313 312 I C -0.029 176.122 176.117 0.057 0.000 0.998 312 I CA -1.271 60.080 61.300 0.084 0.000 1.140 312 I CB 1.292 39.315 38.000 0.038 0.000 1.327 312 I HN -0.254 nan 8.210 nan 0.000 0.491 313 E N 1.341 121.569 120.200 0.046 0.000 2.250 313 E HA 0.663 5.014 4.350 0.002 0.000 0.269 313 E C 0.012 176.607 176.600 -0.009 0.000 1.018 313 E CA -0.407 55.987 56.400 -0.010 0.000 0.873 313 E CB 1.568 31.244 29.700 -0.039 0.000 1.134 313 E HN 1.048 nan 8.360 nan 0.000 0.403 314 G N 0.941 109.729 108.800 -0.021 0.000 2.525 314 G HA2 -0.177 3.784 3.960 0.002 0.000 0.685 314 G HA3 -0.177 3.784 3.960 0.002 0.000 0.685 314 G C -0.904 173.993 174.900 -0.006 0.000 1.290 314 G CA -1.059 44.033 45.100 -0.013 0.000 0.915 314 G HN 0.427 nan 8.290 nan 0.000 0.548 315 R N -0.630 119.873 120.500 0.006 0.000 2.537 315 R HA 0.384 4.726 4.340 0.002 0.000 0.280 315 R C 0.758 177.067 176.300 0.015 0.000 1.058 315 R CA 0.132 56.244 56.100 0.020 0.000 1.057 315 R CB 0.254 30.580 30.300 0.045 0.000 0.973 315 R HN 0.412 nan 8.270 nan 0.000 0.438 316 L N 1.471 122.699 121.223 0.008 0.000 3.069 316 L HA 0.168 4.509 4.340 0.002 0.000 0.271 316 L C -0.113 176.742 176.870 -0.025 0.000 1.201 316 L CA -0.056 54.783 54.840 -0.002 0.000 1.015 316 L CB 0.503 42.562 42.059 0.000 0.000 1.371 316 L HN 0.506 nan 8.230 nan 0.000 0.574 317 D N 1.337 121.710 120.400 -0.046 0.000 2.464 317 D HA 0.219 4.860 4.640 0.002 0.000 0.243 317 D C -1.677 174.472 176.300 -0.252 0.000 1.104 317 D CA -2.047 51.870 54.000 -0.139 0.000 0.883 317 D CB 1.713 42.414 40.800 -0.165 0.000 1.050 317 D HN -0.117 nan 8.370 nan 0.000 0.524 318 P HA 0.008 nan 4.420 nan 0.000 0.234 318 P C 0.712 177.538 177.300 -0.789 0.000 1.167 318 P CA 0.349 63.206 63.100 -0.406 0.000 0.763 318 P CB 0.316 31.897 31.700 -0.199 0.000 0.835 319 A N -0.829 121.614 122.820 -0.628 0.000 2.308 319 A HA 0.067 4.388 4.320 0.002 0.000 0.217 319 A C 0.302 177.488 177.584 -0.663 0.000 1.216 319 A CA -0.144 51.516 52.037 -0.629 0.000 0.864 319 A CB -0.934 17.818 19.000 -0.414 0.000 0.902 319 A HN 0.219 nan 8.150 nan 0.000 0.499 320 H N -0.518 118.437 119.070 -0.191 0.000 2.826 320 H HA -0.159 4.398 4.556 0.002 0.000 0.306 320 H C -0.666 174.536 175.328 -0.209 0.000 1.235 320 H CA 0.911 56.867 56.048 -0.154 0.000 1.150 320 H CB -2.796 26.890 29.762 -0.126 0.000 1.409 320 H HN 0.785 nan 8.280 nan 0.000 0.420 321 H N 0.608 119.587 119.070 -0.151 0.000 3.140 321 H HA 0.058 4.615 4.556 0.002 0.000 0.316 321 H C 1.274 176.615 175.328 0.021 0.000 0.986 321 H CA 0.417 56.414 56.048 -0.084 0.000 1.397 321 H CB 0.414 30.085 29.762 -0.150 0.000 1.377 321 H HN 0.295 nan 8.280 nan 0.000 0.585 322 R N 2.113 122.690 120.500 0.127 0.000 2.523 322 R HA 0.169 4.510 4.340 0.002 0.000 0.281 322 R C 0.469 176.892 176.300 0.206 0.000 0.969 322 R CA 1.206 57.388 56.100 0.137 0.000 1.093 322 R CB -0.272 30.096 30.300 0.112 0.000 0.917 322 R HN 0.974 nan 8.270 nan 0.000 0.408 323 G N 3.090 112.000 108.800 0.184 0.000 2.398 323 G HA2 0.090 4.051 3.960 0.002 0.000 0.251 323 G HA3 0.090 4.051 3.960 0.002 0.000 0.251 323 G C -1.549 173.417 174.900 0.110 0.000 1.277 323 G CA -0.907 44.340 45.100 0.245 0.000 0.927 323 G HN 0.566 nan 8.290 nan 0.000 0.477 324 R N -0.692 119.826 120.500 0.030 0.000 2.795 324 R HA 0.777 5.118 4.340 0.002 0.000 0.275 324 R C -1.043 175.192 176.300 -0.108 0.000 0.981 324 R CA -1.075 54.922 56.100 -0.172 0.000 0.917 324 R CB 2.433 32.389 30.300 -0.574 0.000 1.202 324 R HN 0.500 nan 8.270 nan 0.000 0.469 325 R N 2.117 122.550 120.500 -0.112 0.000 2.388 325 R HA 0.395 4.736 4.340 0.002 0.000 0.314 325 R C -1.593 174.623 176.300 -0.140 0.000 0.959 325 R CA -0.329 55.718 56.100 -0.089 0.000 0.851 325 R CB 0.577 30.854 30.300 -0.038 0.000 1.168 325 R HN 0.578 nan 8.270 nan 0.000 0.472 326 L N 5.476 126.579 121.223 -0.200 0.000 2.313 326 L HA 0.550 4.891 4.340 0.002 0.000 0.283 326 L C -0.330 176.427 176.870 -0.188 0.000 1.013 326 L CA -0.901 53.816 54.840 -0.207 0.000 0.816 326 L CB 1.747 43.625 42.059 -0.303 0.000 1.236 326 L HN 0.445 nan 8.230 nan 0.000 0.419 327 I N 3.486 124.001 120.570 -0.092 0.000 2.307 327 I HA 0.696 4.867 4.170 0.002 0.000 0.289 327 I C 0.220 176.340 176.117 0.005 0.000 1.021 327 I CA -0.128 61.140 61.300 -0.053 0.000 1.224 327 I CB 0.828 38.800 38.000 -0.048 0.000 1.376 327 I HN 0.723 nan 8.210 nan 0.000 0.470 328 A N 5.943 128.761 122.820 -0.003 0.000 2.582 328 A HA 0.284 4.605 4.320 0.002 0.000 0.297 328 A C -0.258 177.348 177.584 0.037 0.000 1.059 328 A CA -0.785 51.296 52.037 0.074 0.000 0.705 328 A CB 1.084 20.200 19.000 0.194 0.000 1.279 328 A HN 0.682 nan 8.150 nan 0.000 0.404 329 N N 1.500 120.241 118.700 0.067 0.000 2.132 329 N HA -0.068 4.673 4.740 0.002 0.000 0.280 329 N C 1.051 176.596 175.510 0.058 0.000 1.318 329 N CA 0.534 53.610 53.050 0.044 0.000 0.822 329 N CB 0.263 38.778 38.487 0.048 0.000 1.058 329 N HN 0.571 nan 8.380 nan 0.000 0.489 330 I N 3.555 124.124 120.570 -0.002 0.000 2.179 330 I HA -0.290 3.881 4.170 0.002 0.000 0.242 330 I C 2.295 178.427 176.117 0.026 0.000 1.088 330 I CA 1.312 62.599 61.300 -0.021 0.000 1.357 330 I CB -0.313 37.639 38.000 -0.080 0.000 1.051 330 I HN 0.664 nan 8.210 nan 0.000 0.409 331 A N 0.755 123.579 122.820 0.007 0.000 1.865 331 A HA -0.263 4.058 4.320 0.002 0.000 0.217 331 A C 1.951 179.546 177.584 0.019 0.000 1.191 331 A CA 2.253 54.290 52.037 0.000 0.000 0.623 331 A CB -0.735 18.264 19.000 -0.000 0.000 0.826 331 A HN 0.370 nan 8.150 nan 0.000 0.444 332 D N -1.553 118.873 120.400 0.044 0.000 2.123 332 D HA -0.199 4.442 4.640 0.002 0.000 0.196 332 D C 1.548 177.881 176.300 0.055 0.000 0.992 332 D CA 1.258 55.283 54.000 0.042 0.000 0.833 332 D CB -0.486 40.347 40.800 0.055 0.000 0.954 332 D HN 0.730 nan 8.370 nan 0.000 0.455 333 W N 1.393 122.646 121.300 -0.079 0.000 2.338 333 W HA -0.101 4.560 4.660 0.002 0.000 0.304 333 W C 2.167 178.628 176.519 -0.097 0.000 1.212 333 W CA 1.126 58.431 57.345 -0.068 0.000 1.264 333 W CB -0.350 29.008 29.460 -0.170 0.000 1.142 333 W HN -0.065 nan 8.180 nan 0.000 0.512 334 L N -0.186 121.015 121.223 -0.037 0.000 2.093 334 L HA -0.181 4.160 4.340 0.002 0.000 0.208 334 L C 2.273 179.041 176.870 -0.172 0.000 1.085 334 L CA 1.509 56.173 54.840 -0.293 0.000 0.755 334 L CB -0.932 40.908 42.059 -0.366 0.000 0.904 334 L HN -0.004 nan 8.230 nan 0.000 0.435 335 E N 0.057 120.199 120.200 -0.097 0.000 2.118 335 E HA -0.248 4.103 4.350 0.002 0.000 0.195 335 E C 2.074 178.592 176.600 -0.136 0.000 0.992 335 E CA 0.998 57.361 56.400 -0.063 0.000 0.804 335 E CB -0.056 29.622 29.700 -0.038 0.000 0.741 335 E HN 0.236 nan 8.360 nan 0.000 0.458 336 L N -0.125 120.937 121.223 -0.269 0.000 2.376 336 L HA -0.067 4.274 4.340 0.002 0.000 0.219 336 L C 0.137 176.486 176.870 -0.869 0.000 1.133 336 L CA 1.474 56.018 54.840 -0.493 0.000 0.816 336 L CB 0.017 41.756 42.059 -0.534 0.000 0.933 336 L HN 0.087 nan 8.230 nan 0.000 0.449 337 H N -1.268 117.441 119.070 -0.601 0.000 2.429 337 H HA 0.299 4.856 4.556 0.002 0.000 0.231 337 H C -2.419 172.833 175.328 -0.127 0.000 1.416 337 H CA -1.786 53.737 56.048 -0.875 0.000 1.443 337 H CB 0.221 28.810 29.762 -1.955 0.000 1.591 337 H HN -0.003 nan 8.280 nan 0.000 0.507 338 P HA 0.294 nan 4.420 nan 0.000 0.281 338 P C -0.142 177.475 177.300 0.527 0.000 1.249 338 P CA -0.438 62.910 63.100 0.412 0.000 0.810 338 P CB 1.660 33.517 31.700 0.262 0.000 1.008 339 A N 2.409 125.437 122.820 0.346 0.000 2.304 339 A HA 0.422 4.743 4.320 0.002 0.000 0.271 339 A C 0.107 177.687 177.584 -0.007 0.000 1.091 339 A CA -0.236 51.778 52.037 -0.038 0.000 0.812 339 A CB 0.238 18.947 19.000 -0.485 0.000 1.056 339 A HN 0.545 nan 8.150 nan 0.000 0.489 340 E N 1.034 121.172 120.200 -0.103 0.000 2.275 340 E HA 0.171 4.522 4.350 0.002 0.000 0.270 340 E C -1.008 175.523 176.600 -0.114 0.000 0.882 340 E CA -1.001 55.359 56.400 -0.066 0.000 0.758 340 E CB 1.627 31.306 29.700 -0.035 0.000 1.195 340 E HN 0.509 nan 8.360 nan 0.000 0.419 341 K N 3.146 123.499 120.400 -0.079 0.000 2.441 341 K HA -0.072 4.249 4.320 0.002 0.000 0.273 341 K C -0.252 176.305 176.600 -0.072 0.000 1.090 341 K CA 0.912 57.154 56.287 -0.075 0.000 1.158 341 K CB -0.007 32.466 32.500 -0.045 0.000 0.847 341 K HN 0.456 nan 8.250 nan 0.000 0.483 342 R N 2.605 123.060 120.500 -0.074 0.000 2.651 342 R HA 0.149 4.490 4.340 0.002 0.000 0.278 342 R C -0.604 175.697 176.300 0.002 0.000 1.010 342 R CA -1.098 54.981 56.100 -0.036 0.000 0.896 342 R CB 1.510 31.787 30.300 -0.039 0.000 1.211 342 R HN 0.506 nan 8.270 nan 0.000 0.456 343 Q N 1.680 121.495 119.800 0.025 0.000 2.299 343 Q HA 0.382 4.723 4.340 0.002 0.000 0.246 343 Q C -2.233 173.810 176.000 0.071 0.000 0.935 343 Q CA -1.907 53.913 55.803 0.027 0.000 0.887 343 Q CB 0.184 28.930 28.738 0.013 0.000 1.223 343 Q HN 0.206 nan 8.270 nan 0.000 0.439 344 P HA -0.113 nan 4.420 nan 0.000 0.264 344 P C -0.010 177.343 177.300 0.089 0.000 1.193 344 P CA -0.119 63.012 63.100 0.051 0.000 0.763 344 P CB 0.207 31.875 31.700 -0.053 0.000 0.810 345 W N 2.457 123.772 121.300 0.025 0.000 2.937 345 W HA 0.131 4.792 4.660 0.002 0.000 0.245 345 W C -0.917 175.587 176.519 -0.026 0.000 1.306 345 W CA -0.310 57.033 57.345 -0.004 0.000 1.470 345 W CB -0.907 28.548 29.460 -0.008 0.000 1.132 345 W HN 0.033 nan 8.180 nan 0.000 0.675 346 C N 2.720 121.655 119.300 -0.607 0.000 2.341 346 C HA 0.374 4.835 4.460 0.002 0.000 0.338 346 C C 1.860 176.646 174.990 -0.342 0.000 1.257 346 C CA -0.173 58.449 59.018 -0.659 0.000 1.883 346 C CB 1.233 28.450 27.740 -0.872 0.000 2.334 346 C HN 0.225 nan 8.230 nan 0.000 0.524 347 V N 0.541 120.311 119.914 -0.241 0.000 3.473 347 V HA 0.196 4.317 4.120 0.002 0.000 0.253 347 V C 1.449 177.433 176.094 -0.183 0.000 1.340 347 V CA 0.618 62.814 62.300 -0.174 0.000 1.103 347 V CB -0.486 31.277 31.823 -0.099 0.000 0.881 347 V HN 0.820 nan 8.190 nan 0.000 0.451 348 E N 0.942 121.025 120.200 -0.196 0.000 2.102 348 E HA 0.032 4.383 4.350 0.002 0.000 0.190 348 E C 2.251 178.675 176.600 -0.293 0.000 0.971 348 E CA 1.147 57.430 56.400 -0.196 0.000 0.821 348 E CB 0.003 29.618 29.700 -0.142 0.000 0.777 348 E HN 0.424 nan 8.360 nan 0.000 0.460 349 I N 1.651 121.983 120.570 -0.398 0.000 2.147 349 I HA -0.255 3.916 4.170 0.002 0.000 0.245 349 I C -0.649 175.083 176.117 -0.642 0.000 1.059 349 I CA 1.735 62.641 61.300 -0.658 0.000 1.320 349 I CB -2.516 35.023 38.000 -0.769 0.000 1.021 349 I HN 0.081 nan 8.210 nan 0.000 0.415 350 P HA -0.127 nan 4.420 nan 0.000 0.217 350 P C 1.886 179.020 177.300 -0.277 0.000 1.150 350 P CA 1.432 64.325 63.100 -0.344 0.000 0.832 350 P CB -0.122 31.430 31.700 -0.247 0.000 0.787 351 R N 0.004 120.363 120.500 -0.235 0.000 2.088 351 R HA -0.097 4.244 4.340 0.002 0.000 0.232 351 R C 2.350 178.534 176.300 -0.193 0.000 1.136 351 R CA 1.523 57.517 56.100 -0.177 0.000 0.926 351 R CB -1.230 28.989 30.300 -0.135 0.000 0.837 351 R HN 0.062 nan 8.270 nan 0.000 0.429 352 L N 0.164 121.246 121.223 -0.236 0.000 2.064 352 L HA -0.307 4.034 4.340 0.002 0.000 0.216 352 L C 2.623 179.375 176.870 -0.197 0.000 1.077 352 L CA 1.640 56.360 54.840 -0.199 0.000 0.766 352 L CB -0.661 41.270 42.059 -0.213 0.000 0.890 352 L HN 0.427 nan 8.230 nan 0.000 0.435 353 A N -0.543 122.054 122.820 -0.373 0.000 1.840 353 A HA -0.229 4.092 4.320 0.002 0.000 0.214 353 A C 2.203 179.731 177.584 -0.093 0.000 1.198 353 A CA 1.561 53.434 52.037 -0.272 0.000 0.608 353 A CB -0.613 18.132 19.000 -0.426 0.000 0.839 353 A HN 0.414 nan 8.150 nan 0.000 0.443 354 E N -0.224 119.905 120.200 -0.118 0.000 2.055 354 E HA -0.335 4.016 4.350 0.002 0.000 0.209 354 E C 2.259 178.832 176.600 -0.045 0.000 1.036 354 E CA 2.139 58.497 56.400 -0.070 0.000 0.849 354 E CB -0.240 29.411 29.700 -0.081 0.000 0.767 354 E HN 0.763 nan 8.360 nan 0.000 0.461 355 Q N -0.501 119.266 119.800 -0.054 0.000 2.135 355 Q HA -0.170 4.171 4.340 0.002 0.000 0.204 355 Q C 2.134 178.129 176.000 -0.010 0.000 0.981 355 Q CA 1.325 57.109 55.803 -0.032 0.000 0.856 355 Q CB -0.194 28.524 28.738 -0.033 0.000 0.902 355 Q HN 0.311 nan 8.270 nan 0.000 0.425 356 A N 0.507 123.333 122.820 0.010 0.000 2.119 356 A HA -0.105 4.217 4.320 0.002 0.000 0.217 356 A C 1.964 179.564 177.584 0.028 0.000 1.153 356 A CA 1.044 53.107 52.037 0.043 0.000 0.692 356 A CB -0.248 18.821 19.000 0.115 0.000 0.799 356 A HN 0.317 nan 8.150 nan 0.000 0.458 357 M N -0.515 119.097 119.600 0.022 0.000 2.287 357 M HA -0.006 4.475 4.480 0.002 0.000 0.266 357 M C 1.951 178.243 176.300 -0.013 0.000 1.079 357 M CA 1.500 56.810 55.300 0.016 0.000 1.146 357 M CB -0.543 32.077 32.600 0.035 0.000 1.374 357 M HN 0.471 nan 8.290 nan 0.000 0.435 358 Q N -0.186 119.605 119.800 -0.015 0.000 2.112 358 Q HA -0.191 4.150 4.340 0.002 0.000 0.206 358 Q C 2.058 178.035 176.000 -0.039 0.000 0.987 358 Q CA 2.008 57.797 55.803 -0.023 0.000 0.858 358 Q CB -0.497 28.228 28.738 -0.021 0.000 0.905 358 Q HN 0.699 nan 8.270 nan 0.000 0.420 359 A N 0.107 122.905 122.820 -0.037 0.000 1.930 359 A HA -0.122 4.199 4.320 0.002 0.000 0.217 359 A C 2.286 179.820 177.584 -0.084 0.000 1.175 359 A CA 1.291 53.301 52.037 -0.046 0.000 0.627 359 A CB -0.466 18.516 19.000 -0.030 0.000 0.815 359 A HN 0.219 nan 8.150 nan 0.000 0.443 360 V N 1.231 121.072 119.914 -0.121 0.000 2.323 360 V HA -0.263 3.858 4.120 0.002 0.000 0.244 360 V C 2.532 178.388 176.094 -0.398 0.000 1.041 360 V CA 1.712 63.857 62.300 -0.258 0.000 1.025 360 V CB -1.128 30.508 31.823 -0.311 0.000 0.656 360 V HN 0.776 nan 8.190 nan 0.000 0.451 361 I N 1.188 121.587 120.570 -0.286 0.000 2.113 361 I HA -0.289 3.882 4.170 0.002 0.000 0.242 361 I C 2.304 178.367 176.117 -0.089 0.000 1.057 361 I CA 2.335 63.559 61.300 -0.127 0.000 1.314 361 I CB -0.881 37.115 38.000 -0.006 0.000 1.022 361 I HN 0.159 nan 8.210 nan 0.000 0.408 362 A N 0.248 123.024 122.820 -0.074 0.000 2.272 362 A HA -0.055 4.266 4.320 0.002 0.000 0.213 362 A C 2.075 179.641 177.584 -0.030 0.000 1.183 362 A CA 1.097 53.111 52.037 -0.039 0.000 0.719 362 A CB -0.568 18.412 19.000 -0.033 0.000 0.771 362 A HN 0.603 nan 8.150 nan 0.000 0.484 363 R N -1.083 119.383 120.500 -0.056 0.000 2.616 363 R HA 0.077 4.418 4.340 0.002 0.000 0.427 363 R C 1.182 177.488 176.300 0.011 0.000 1.030 363 R CA 0.305 56.391 56.100 -0.024 0.000 1.133 363 R CB 0.256 30.525 30.300 -0.051 0.000 1.444 363 R HN 0.776 nan 8.270 nan 0.000 0.578 364 R N -0.545 119.968 120.500 0.022 0.000 2.275 364 R HA 0.055 4.396 4.340 0.002 0.000 0.199 364 R C 0.360 176.754 176.300 0.158 0.000 0.989 364 R CA 0.810 56.968 56.100 0.098 0.000 1.016 364 R CB 0.127 30.499 30.300 0.120 0.000 0.918 364 R HN -0.042 nan 8.270 nan 0.000 0.473 365 D N 1.994 122.500 120.400 0.177 0.000 2.137 365 D HA 0.032 4.673 4.640 0.002 0.000 0.202 365 D C 0.682 177.299 176.300 0.529 0.000 0.970 365 D CA 0.935 55.101 54.000 0.278 0.000 0.837 365 D CB -0.121 40.785 40.800 0.177 0.000 0.981 365 D HN 0.344 nan 8.370 nan 0.000 0.475 366 A N 0.797 123.835 122.820 0.364 0.000 2.520 366 A HA 0.034 4.355 4.320 0.002 0.000 0.235 366 A C -0.385 177.432 177.584 0.387 0.000 1.065 366 A CA 0.067 52.290 52.037 0.310 0.000 0.764 366 A CB -0.180 18.924 19.000 0.174 0.000 1.002 366 A HN 0.154 nan 8.150 nan 0.000 0.502 367 F N 2.876 122.818 119.950 -0.013 0.000 2.359 367 F HA 0.556 5.084 4.527 0.002 0.000 0.355 367 F C 0.610 176.280 175.800 -0.217 0.000 1.132 367 F CA 0.271 58.048 58.000 -0.372 0.000 1.246 367 F CB 0.068 38.682 39.000 -0.643 0.000 1.569 367 F HN 0.691 nan 8.300 nan 0.000 0.561 368 G N 3.194 111.846 108.800 -0.247 0.000 3.021 368 G HA2 0.152 4.113 3.960 0.002 0.000 0.290 368 G HA3 0.152 4.113 3.960 0.002 0.000 0.290 368 G C 0.149 174.944 174.900 -0.176 0.000 1.291 368 G CA -0.184 44.789 45.100 -0.212 0.000 0.834 368 G HN 0.382 nan 8.290 nan 0.000 0.564 369 E N -0.704 119.441 120.200 -0.091 0.000 2.158 369 E HA 0.045 4.396 4.350 0.002 0.000 0.191 369 E C 2.206 178.816 176.600 0.017 0.000 0.982 369 E CA 1.309 57.677 56.400 -0.053 0.000 0.823 369 E CB -0.149 29.525 29.700 -0.043 0.000 0.766 369 E HN 0.391 nan 8.360 nan 0.000 0.468 370 A N 0.634 123.478 122.820 0.040 0.000 1.969 370 A HA -0.145 4.176 4.320 0.002 0.000 0.218 370 A C 1.995 179.667 177.584 0.147 0.000 1.169 370 A CA 1.312 53.393 52.037 0.074 0.000 0.635 370 A CB -0.216 18.816 19.000 0.053 0.000 0.810 370 A HN 0.235 nan 8.150 nan 0.000 0.445 371 Q N -1.189 118.733 119.800 0.204 0.000 2.302 371 Q HA 0.101 4.442 4.340 0.002 0.000 0.202 371 Q C 1.884 178.115 176.000 0.385 0.000 0.936 371 Q CA 0.822 56.824 55.803 0.332 0.000 0.886 371 Q CB -0.265 28.783 28.738 0.517 0.000 0.986 371 Q HN 0.587 nan 8.270 nan 0.000 0.487 372 L N -0.085 121.339 121.223 0.333 0.000 2.156 372 L HA 0.069 4.410 4.340 0.002 0.000 0.208 372 L C 1.801 178.805 176.870 0.224 0.000 1.095 372 L CA 1.824 56.861 54.840 0.328 0.000 0.770 372 L CB -0.664 41.465 42.059 0.115 0.000 0.914 372 L HN 0.124 nan 8.230 nan 0.000 0.439 373 A N -1.269 121.646 122.820 0.158 0.000 1.930 373 A HA -0.205 4.116 4.320 0.002 0.000 0.215 373 A C 2.248 179.902 177.584 0.117 0.000 1.176 373 A CA 1.312 53.418 52.037 0.115 0.000 0.632 373 A CB -0.951 18.099 19.000 0.084 0.000 0.819 373 A HN 0.702 nan 8.150 nan 0.000 0.445 374 H N 0.227 119.330 119.070 0.055 0.000 2.321 374 H HA -0.013 4.544 4.556 0.002 0.000 0.300 374 H C 1.650 176.973 175.328 -0.008 0.000 1.087 374 H CA 1.916 57.973 56.048 0.016 0.000 1.319 374 H CB -0.161 29.607 29.762 0.010 0.000 1.379 374 H HN 0.343 nan 8.280 nan 0.000 0.501 375 R N -0.311 120.093 120.500 -0.159 0.000 2.328 375 R HA 0.091 4.432 4.340 0.002 0.000 0.206 375 R C 1.668 177.884 176.300 -0.140 0.000 0.990 375 R CA 0.412 56.356 56.100 -0.261 0.000 1.085 375 R CB -0.283 29.899 30.300 -0.197 0.000 0.998 375 R HN 0.388 nan 8.270 nan 0.000 0.484 376 I N -0.127 120.415 120.570 -0.046 0.000 2.761 376 I HA -0.231 3.940 4.170 0.002 0.000 0.261 376 I C 1.616 177.677 176.117 -0.094 0.000 1.198 376 I CA 0.792 62.129 61.300 0.060 0.000 1.482 376 I CB 0.094 38.154 38.000 0.100 0.000 1.100 376 I HN 0.296 nan 8.210 nan 0.000 0.445 377 C N -0.236 118.941 119.300 -0.205 0.000 2.422 377 C HA -0.124 4.337 4.460 0.002 0.000 0.279 377 C C 2.258 177.056 174.990 -0.320 0.000 1.305 377 C CA 0.250 59.106 59.018 -0.270 0.000 1.757 377 C CB -1.625 25.958 27.740 -0.262 0.000 1.962 377 C HN 0.446 nan 8.230 nan 0.000 0.499 378 D N 0.770 120.911 120.400 -0.432 0.000 2.203 378 D HA -0.148 4.493 4.640 0.002 0.000 0.199 378 D C 1.465 177.396 176.300 -0.614 0.000 0.997 378 D CA 1.734 55.356 54.000 -0.630 0.000 0.863 378 D CB -0.358 39.837 40.800 -1.008 0.000 0.928 378 D HN 0.703 nan 8.370 nan 0.000 0.458 379 Y N -0.259 119.909 120.300 -0.220 0.000 2.444 379 Y HA 0.283 4.834 4.550 0.002 0.000 0.249 379 Y C 0.851 176.585 175.900 -0.277 0.000 1.134 379 Y CA -0.463 57.394 58.100 -0.404 0.000 1.261 379 Y CB -0.040 38.067 38.460 -0.587 0.000 1.143 379 Y HN -0.173 nan 8.280 nan 0.000 0.523 380 L N 4.718 125.878 121.223 -0.105 0.000 2.578 380 L HA 0.022 4.363 4.340 0.002 0.000 0.279 380 L C -1.949 174.836 176.870 -0.142 0.000 1.227 380 L CA -1.417 53.361 54.840 -0.103 0.000 0.900 380 L CB -0.006 41.816 42.059 -0.396 0.000 1.144 380 L HN -0.052 nan 8.230 nan 0.000 0.496 381 P HA 0.016 nan 4.420 nan 0.000 0.271 381 P C -0.493 176.641 177.300 -0.278 0.000 1.216 381 P CA -0.285 62.402 63.100 -0.688 0.000 0.776 381 P CB 0.645 31.775 31.700 -0.950 0.000 0.881 382 E N 2.519 122.543 120.200 -0.293 0.000 2.344 382 E HA -0.059 4.292 4.350 0.002 0.000 0.270 382 E C -0.064 176.474 176.600 -0.104 0.000 1.021 382 E CA -0.013 56.315 56.400 -0.120 0.000 0.887 382 E CB 0.128 29.751 29.700 -0.129 0.000 0.997 382 E HN 0.258 nan 8.360 nan 0.000 0.429 383 Q N 0.598 120.375 119.800 -0.038 0.000 2.489 383 Q HA -0.161 4.180 4.340 0.002 0.000 0.259 383 Q C -0.052 175.853 176.000 -0.158 0.000 0.934 383 Q CA 1.169 56.910 55.803 -0.102 0.000 1.131 383 Q CB -2.036 26.648 28.738 -0.089 0.000 1.472 383 Q HN 0.763 nan 8.270 nan 0.000 0.560 384 G N 0.099 108.807 108.800 -0.154 0.000 2.543 384 G HA2 0.610 4.571 3.960 0.002 0.000 0.267 384 G HA3 0.610 4.571 3.960 0.002 0.000 0.267 384 G C -0.016 174.740 174.900 -0.240 0.000 1.406 384 G CA 0.197 45.223 45.100 -0.124 0.000 1.048 384 G HN 0.207 nan 8.290 nan 0.000 0.548 385 Q N -1.885 117.913 119.800 -0.003 0.000 2.462 385 Q HA 0.641 4.982 4.340 0.002 0.000 0.285 385 Q C -2.014 174.162 176.000 0.294 0.000 1.035 385 Q CA -0.954 54.875 55.803 0.044 0.000 0.799 385 Q CB 2.202 31.014 28.738 0.122 0.000 1.452 385 Q HN 0.471 nan 8.270 nan 0.000 0.404 386 L N 1.611 123.031 121.223 0.329 0.000 2.334 386 L HA 0.743 5.084 4.340 0.002 0.000 0.276 386 L C -1.703 175.371 176.870 0.340 0.000 1.014 386 L CA -0.566 54.462 54.840 0.315 0.000 0.815 386 L CB 1.755 43.956 42.059 0.237 0.000 1.268 386 L HN 0.733 nan 8.230 nan 0.000 0.428 387 F N 4.575 124.625 119.950 0.168 0.000 2.565 387 F HA 0.780 5.308 4.527 0.001 0.000 0.313 387 F C -1.469 174.386 175.800 0.093 0.000 1.091 387 F CA -0.637 57.450 58.000 0.146 0.000 0.915 387 F CB 1.955 41.035 39.000 0.133 0.000 1.208 387 F HN 0.205 nan 8.300 nan 0.000 0.453 388 V N 5.167 124.623 119.914 -0.764 0.000 2.612 388 V HA 0.614 4.735 4.120 0.002 0.000 0.301 388 V C 0.151 175.883 176.094 -0.603 0.000 1.059 388 V CA -0.254 61.790 62.300 -0.426 0.000 0.886 388 V CB 1.420 33.090 31.823 -0.254 0.000 1.007 388 V HN 1.055 nan 8.190 nan 0.000 0.426 389 G N 3.371 112.017 108.800 -0.257 0.000 2.510 389 G HA2 0.300 4.261 3.960 0.002 0.000 0.280 389 G HA3 0.300 4.261 3.960 0.002 0.000 0.280 389 G C -0.237 174.589 174.900 -0.124 0.000 1.386 389 G CA -0.537 44.477 45.100 -0.143 0.000 1.047 389 G HN 0.619 nan 8.290 nan 0.000 0.527 390 N N 0.467 119.126 118.700 -0.069 0.000 2.800 390 N HA 0.456 5.197 4.740 0.002 0.000 0.240 390 N C -0.981 174.511 175.510 -0.029 0.000 1.096 390 N CA -0.080 52.936 53.050 -0.057 0.000 0.877 390 N CB 1.325 39.782 38.487 -0.050 0.000 1.138 390 N HN 0.321 nan 8.380 nan 0.000 0.509 391 S N 0.893 116.576 115.700 -0.028 0.000 2.552 391 S HA 0.262 4.733 4.470 0.002 0.000 0.272 391 S C 0.740 175.332 174.600 -0.013 0.000 1.150 391 S CA -0.620 57.572 58.200 -0.012 0.000 0.849 391 S CB 1.037 64.231 63.200 -0.010 0.000 1.113 391 S HN 0.379 nan 8.310 nan 0.000 0.458 392 L N 3.073 124.292 121.223 -0.006 0.000 2.089 392 L HA -0.073 4.268 4.340 0.002 0.000 0.213 392 L C 2.244 179.110 176.870 -0.007 0.000 1.079 392 L CA 2.374 57.211 54.840 -0.006 0.000 0.758 392 L CB -0.422 41.636 42.059 -0.002 0.000 0.891 392 L HN 0.696 nan 8.230 nan 0.000 0.433 393 V N -0.583 119.327 119.914 -0.006 0.000 2.469 393 V HA -0.235 3.886 4.120 0.002 0.000 0.251 393 V C 2.422 178.513 176.094 -0.004 0.000 1.064 393 V CA 1.813 64.113 62.300 -0.001 0.000 1.066 393 V CB 0.061 31.884 31.823 -0.000 0.000 0.667 393 V HN 0.341 nan 8.190 nan 0.000 0.461 394 V N 0.267 120.169 119.914 -0.019 0.000 2.427 394 V HA -0.216 3.905 4.120 0.002 0.000 0.248 394 V C 2.615 178.693 176.094 -0.026 0.000 1.051 394 V CA 2.352 64.634 62.300 -0.030 0.000 1.048 394 V CB -0.936 30.853 31.823 -0.057 0.000 0.666 394 V HN 0.502 nan 8.190 nan 0.000 0.456 395 R N -0.158 120.328 120.500 -0.023 0.000 2.091 395 R HA -0.121 4.220 4.340 0.002 0.000 0.238 395 R C 2.342 178.634 176.300 -0.013 0.000 1.136 395 R CA 1.507 57.594 56.100 -0.021 0.000 0.959 395 R CB -0.514 29.774 30.300 -0.020 0.000 0.856 395 R HN 0.412 nan 8.270 nan 0.000 0.437 396 L N 0.450 121.672 121.223 -0.003 0.000 2.013 396 L HA -0.253 4.088 4.340 0.002 0.000 0.212 396 L C 2.448 179.331 176.870 0.022 0.000 1.073 396 L CA 1.501 56.347 54.840 0.011 0.000 0.753 396 L CB -0.506 41.564 42.059 0.019 0.000 0.890 396 L HN 0.227 nan 8.230 nan 0.000 0.432 397 I N 0.139 120.720 120.570 0.017 0.000 2.163 397 I HA -0.350 3.821 4.170 0.002 0.000 0.243 397 I C 2.255 178.376 176.117 0.007 0.000 1.085 397 I CA 1.856 63.167 61.300 0.018 0.000 1.347 397 I CB -0.318 37.686 38.000 0.007 0.000 1.044 397 I HN 0.317 nan 8.210 nan 0.000 0.408 398 D N 0.646 121.040 120.400 -0.009 0.000 2.182 398 D HA -0.180 4.461 4.640 0.002 0.000 0.201 398 D C 1.998 178.288 176.300 -0.018 0.000 0.986 398 D CA 1.416 55.404 54.000 -0.019 0.000 0.847 398 D CB 0.120 40.901 40.800 -0.032 0.000 0.942 398 D HN 0.347 nan 8.370 nan 0.000 0.467 399 A N -0.804 122.009 122.820 -0.011 0.000 2.081 399 A HA 0.203 4.524 4.320 0.002 0.000 0.214 399 A C 1.913 179.502 177.584 0.009 0.000 1.158 399 A CA 0.471 52.496 52.037 -0.020 0.000 0.724 399 A CB 0.035 19.022 19.000 -0.021 0.000 0.826 399 A HN 0.363 nan 8.150 nan 0.000 0.463 400 L N -2.218 119.029 121.223 0.039 0.000 2.948 400 L HA 0.245 4.586 4.340 0.002 0.000 0.259 400 L C 0.756 177.726 176.870 0.166 0.000 1.136 400 L CA 0.016 54.909 54.840 0.088 0.000 0.959 400 L CB 0.439 42.551 42.059 0.090 0.000 1.370 400 L HN 0.190 nan 8.230 nan 0.000 0.552 401 S N 0.161 115.915 115.700 0.090 0.000 2.681 401 S HA 0.363 4.834 4.470 0.002 0.000 0.299 401 S C -0.501 174.113 174.600 0.022 0.000 1.113 401 S CA -0.320 57.910 58.200 0.049 0.000 1.013 401 S CB 1.716 64.907 63.200 -0.014 0.000 1.076 401 S HN 0.220 nan 8.310 nan 0.000 0.534 402 Q N 3.250 123.043 119.800 -0.012 0.000 2.674 402 Q HA 0.365 4.706 4.340 0.002 0.000 0.249 402 Q C -1.288 174.679 176.000 -0.055 0.000 1.011 402 Q CA -0.389 55.405 55.803 -0.015 0.000 0.734 402 Q CB 0.294 29.033 28.738 0.002 0.000 1.201 402 Q HN 0.628 nan 8.270 nan 0.000 0.498 403 L N 5.126 126.315 121.223 -0.058 0.000 2.490 403 L HA 0.207 4.548 4.340 0.002 0.000 0.274 403 L C -1.719 175.111 176.870 -0.066 0.000 1.201 403 L CA -1.429 53.359 54.840 -0.087 0.000 0.869 403 L CB 0.062 42.081 42.059 -0.067 0.000 1.123 403 L HN 0.487 nan 8.230 nan 0.000 0.484 404 P HA -0.057 nan 4.420 nan 0.000 0.264 404 P C -0.492 176.820 177.300 0.019 0.000 1.179 404 P CA -0.217 62.857 63.100 -0.043 0.000 0.763 404 P CB 0.452 32.106 31.700 -0.078 0.000 0.806 405 A N 2.908 125.741 122.820 0.022 0.000 2.540 405 A HA 0.374 4.695 4.320 0.002 0.000 0.239 405 A C 1.641 179.256 177.584 0.051 0.000 1.061 405 A CA 0.741 52.798 52.037 0.032 0.000 0.758 405 A CB -1.316 17.698 19.000 0.024 0.000 0.991 405 A HN 0.924 nan 8.150 nan 0.000 0.502 406 G N 0.312 109.136 108.800 0.039 0.000 2.212 406 G HA2 -0.304 3.657 3.960 0.002 0.000 0.266 406 G HA3 -0.304 3.657 3.960 0.002 0.000 0.266 406 G C 0.150 175.072 174.900 0.037 0.000 0.978 406 G CA 0.851 45.965 45.100 0.023 0.000 0.632 406 G HN 1.521 nan 8.290 nan 0.000 0.537 407 Y N 2.953 123.218 120.300 -0.058 0.000 2.365 407 Y HA 0.537 5.088 4.550 0.002 0.000 0.340 407 Y C -1.972 173.870 175.900 -0.097 0.000 1.016 407 Y CA -2.449 55.611 58.100 -0.067 0.000 1.196 407 Y CB 1.258 39.681 38.460 -0.062 0.000 1.167 407 Y HN 0.042 nan 8.280 nan 0.000 0.509 408 P HA 0.069 nan 4.420 nan 0.000 0.267 408 P C -1.204 175.943 177.300 -0.256 0.000 1.205 408 P CA 0.235 63.137 63.100 -0.330 0.000 0.765 408 P CB 0.811 32.303 31.700 -0.346 0.000 0.828 409 V N 4.752 124.433 119.914 -0.387 0.000 2.680 409 V HA 0.491 4.612 4.120 0.002 0.000 0.309 409 V C -0.618 175.129 176.094 -0.578 0.000 1.052 409 V CA -0.471 61.640 62.300 -0.314 0.000 0.908 409 V CB 1.378 33.121 31.823 -0.132 0.000 1.001 409 V HN 0.401 nan 8.190 nan 0.000 0.431 410 Y N 1.085 121.423 120.300 0.063 0.000 2.576 410 Y HA 0.823 5.374 4.550 0.002 0.000 0.346 410 Y C 0.270 176.048 175.900 -0.203 0.000 1.018 410 Y CA -0.738 57.400 58.100 0.063 0.000 1.050 410 Y CB 2.511 41.139 38.460 0.280 0.000 1.280 410 Y HN 0.769 nan 8.280 nan 0.000 0.474 411 S N 0.081 115.763 115.700 -0.031 0.000 2.578 411 S HA 0.427 4.898 4.470 0.002 0.000 0.272 411 S C -1.874 172.692 174.600 -0.057 0.000 1.145 411 S CA -1.183 56.779 58.200 -0.397 0.000 0.835 411 S CB 1.377 64.405 63.200 -0.286 0.000 1.104 411 S HN 0.498 nan 8.310 nan 0.000 0.458 412 N N 1.189 119.855 118.700 -0.057 0.000 3.105 412 N HA 0.367 5.108 4.740 0.002 0.000 0.256 412 N C -0.085 175.413 175.510 -0.019 0.000 1.174 412 N CA -0.331 52.747 53.050 0.046 0.000 1.030 412 N CB 0.291 38.839 38.487 0.102 0.000 1.305 412 N HN 0.440 nan 8.380 nan 0.000 0.509 413 R N -0.069 120.415 120.500 -0.026 0.000 2.546 413 R HA 0.201 4.542 4.340 0.002 0.000 0.320 413 R C 1.436 177.726 176.300 -0.017 0.000 1.021 413 R CA -0.221 55.858 56.100 -0.035 0.000 1.088 413 R CB 0.514 30.782 30.300 -0.054 0.000 1.278 413 R HN 0.365 nan 8.270 nan 0.000 0.557 414 G N 1.059 109.857 108.800 -0.004 0.000 2.604 414 G HA2 -0.255 3.706 3.960 0.002 0.000 0.216 414 G HA3 -0.255 3.706 3.960 0.002 0.000 0.216 414 G C 1.091 175.986 174.900 -0.008 0.000 1.265 414 G CA 0.994 46.093 45.100 -0.002 0.000 0.804 414 G HN 0.347 nan 8.290 nan 0.000 0.579 415 A N -0.805 122.007 122.820 -0.014 0.000 2.348 415 A HA 0.508 4.829 4.320 0.002 0.000 0.224 415 A C 1.323 178.892 177.584 -0.026 0.000 1.227 415 A CA 1.115 53.139 52.037 -0.022 0.000 0.885 415 A CB -0.032 18.947 19.000 -0.035 0.000 0.933 415 A HN 0.941 nan 8.150 nan 0.000 0.506 416 S N -0.323 115.361 115.700 -0.026 0.000 3.550 416 S HA -0.139 4.332 4.470 0.002 0.000 0.372 416 S C 0.822 175.396 174.600 -0.043 0.000 0.966 416 S CA 0.349 58.528 58.200 -0.035 0.000 1.229 416 S CB -2.000 61.180 63.200 -0.033 0.000 0.917 416 S HN 1.361 nan 8.310 nan 0.000 0.496 417 G N 0.489 109.257 108.800 -0.053 0.000 2.569 417 G HA2 0.509 4.470 3.960 0.002 0.000 0.249 417 G HA3 0.509 4.470 3.960 0.002 0.000 0.249 417 G C 0.767 175.588 174.900 -0.131 0.000 1.216 417 G CA -0.406 44.638 45.100 -0.094 0.000 0.845 417 G HN 0.914 nan 8.290 nan 0.000 0.568 418 I N -1.590 118.863 120.570 -0.196 0.000 3.936 418 I HA 0.263 4.434 4.170 0.002 0.000 0.330 418 I C 0.511 176.358 176.117 -0.450 0.000 1.509 418 I CA -0.307 60.881 61.300 -0.186 0.000 1.126 418 I CB 0.727 38.705 38.000 -0.038 0.000 1.115 418 I HN 0.339 nan 8.210 nan 0.000 0.424 419 D N 1.401 121.379 120.400 -0.703 0.000 2.354 419 D HA 0.057 4.698 4.640 0.002 0.000 0.209 419 D C 1.419 177.311 176.300 -0.680 0.000 1.015 419 D CA 0.674 53.976 54.000 -1.164 0.000 0.867 419 D CB 0.380 40.540 40.800 -1.065 0.000 0.933 419 D HN 0.433 nan 8.370 nan 0.000 0.520 420 G N 0.357 108.735 108.800 -0.704 0.000 4.299 420 G HA2 0.227 4.188 3.960 0.002 0.000 0.290 420 G HA3 0.227 4.188 3.960 0.002 0.000 0.290 420 G C 1.156 175.785 174.900 -0.452 0.000 1.019 420 G CA -0.316 44.255 45.100 -0.882 0.000 0.790 420 G HN 0.138 nan 8.290 nan 0.000 0.452 421 L N 0.171 121.264 121.223 -0.216 0.000 2.191 421 L HA -0.011 4.330 4.340 0.002 0.000 0.212 421 L C 2.524 179.312 176.870 -0.137 0.000 1.103 421 L CA 0.803 55.622 54.840 -0.035 0.000 0.769 421 L CB -0.263 41.871 42.059 0.126 0.000 0.908 421 L HN 0.221 nan 8.230 nan 0.000 0.438 422 L N -0.722 120.414 121.223 -0.145 0.000 2.131 422 L HA -0.071 4.270 4.340 0.002 0.000 0.206 422 L C 2.814 179.540 176.870 -0.241 0.000 1.087 422 L CA 1.376 56.113 54.840 -0.172 0.000 0.767 422 L CB -0.789 41.197 42.059 -0.122 0.000 0.917 422 L HN 0.379 nan 8.230 nan 0.000 0.441 423 S N -1.176 114.392 115.700 -0.221 0.000 2.402 423 S HA -0.132 4.339 4.470 0.002 0.000 0.229 423 S C 1.882 176.330 174.600 -0.253 0.000 1.021 423 S CA 1.460 59.523 58.200 -0.229 0.000 0.974 423 S CB -0.725 62.394 63.200 -0.135 0.000 0.800 423 S HN 0.322 nan 8.310 nan 0.000 0.484 424 T N 2.287 116.675 114.554 -0.276 0.000 2.915 424 T HA 0.200 4.551 4.350 0.002 0.000 0.269 424 T C 2.036 176.378 174.700 -0.597 0.000 1.071 424 T CA 1.107 63.009 62.100 -0.329 0.000 1.132 424 T CB -0.445 68.308 68.868 -0.191 0.000 0.878 424 T HN 0.608 nan 8.240 nan 0.000 0.479 425 A N 1.071 123.459 122.820 -0.721 0.000 2.021 425 A HA 0.482 4.803 4.320 0.002 0.000 0.216 425 A C 2.589 179.917 177.584 -0.428 0.000 1.163 425 A CA 1.164 52.714 52.037 -0.813 0.000 0.676 425 A CB -0.824 17.745 19.000 -0.719 0.000 0.818 425 A HN 0.448 nan 8.150 nan 0.000 0.453 426 A N 0.093 122.707 122.820 -0.343 0.000 1.873 426 A HA 0.014 4.335 4.320 0.002 0.000 0.218 426 A C 2.397 179.823 177.584 -0.264 0.000 1.193 426 A CA 2.212 54.094 52.037 -0.257 0.000 0.629 426 A CB -1.472 17.370 19.000 -0.263 0.000 0.826 426 A HN 0.693 nan 8.150 nan 0.000 0.447 427 G N -0.763 107.851 108.800 -0.311 0.000 2.434 427 G HA2 -0.091 3.870 3.960 0.002 0.000 0.214 427 G HA3 -0.091 3.870 3.960 0.002 0.000 0.214 427 G C 1.535 176.238 174.900 -0.327 0.000 1.202 427 G CA 1.293 46.193 45.100 -0.334 0.000 0.788 427 G HN 0.340 nan 8.290 nan 0.000 0.539 428 V N 0.667 120.367 119.914 -0.355 0.000 2.236 428 V HA -0.331 3.790 4.120 0.002 0.000 0.255 428 V C 2.916 178.855 176.094 -0.258 0.000 1.068 428 V CA 2.534 64.612 62.300 -0.370 0.000 1.044 428 V CB -0.548 31.042 31.823 -0.387 0.000 0.653 428 V HN 0.399 nan 8.190 nan 0.000 0.448 429 Q N -0.252 119.437 119.800 -0.183 0.000 2.050 429 Q HA -0.220 4.121 4.340 0.002 0.000 0.202 429 Q C 2.445 178.394 176.000 -0.085 0.000 0.980 429 Q CA 1.919 57.668 55.803 -0.090 0.000 0.840 429 Q CB -0.311 28.396 28.738 -0.052 0.000 0.898 429 Q HN 0.569 nan 8.270 nan 0.000 0.424 430 R N -0.414 120.017 120.500 -0.115 0.000 2.120 430 R HA -0.107 4.234 4.340 0.002 0.000 0.234 430 R C 2.235 178.496 176.300 -0.064 0.000 1.123 430 R CA 1.084 57.147 56.100 -0.061 0.000 0.975 430 R CB -0.238 30.029 30.300 -0.055 0.000 0.866 430 R HN 0.305 nan 8.270 nan 0.000 0.446 431 A N 0.096 122.816 122.820 -0.168 0.000 1.908 431 A HA -0.199 4.123 4.320 0.002 0.000 0.218 431 A C 2.066 179.621 177.584 -0.048 0.000 1.181 431 A CA 2.190 54.125 52.037 -0.169 0.000 0.627 431 A CB -0.371 18.479 19.000 -0.249 0.000 0.818 431 A HN 0.493 nan 8.150 nan 0.000 0.445 432 S N -3.063 112.608 115.700 -0.048 0.000 2.505 432 S HA 0.405 4.876 4.470 0.002 0.000 0.216 432 S C 1.410 176.014 174.600 0.007 0.000 1.018 432 S CA 1.173 59.365 58.200 -0.012 0.000 0.911 432 S CB 0.025 63.220 63.200 -0.008 0.000 0.818 432 S HN 1.990 nan 8.310 nan 0.000 0.497 433 G N 1.103 109.907 108.800 0.007 0.000 2.153 433 G HA2 -0.257 3.704 3.960 0.002 0.000 0.252 433 G HA3 -0.257 3.704 3.960 0.002 0.000 0.252 433 G C -0.108 174.802 174.900 0.017 0.000 0.994 433 G CA 0.543 45.655 45.100 0.020 0.000 0.698 433 G HN 0.628 nan 8.290 nan 0.000 0.521 434 K N 0.269 120.677 120.400 0.013 0.000 2.166 434 K HA 0.568 4.889 4.320 0.002 0.000 0.245 434 K C -2.494 174.125 176.600 0.030 0.000 0.967 434 K CA -2.408 53.883 56.287 0.007 0.000 0.863 434 K CB 1.628 34.121 32.500 -0.012 0.000 1.107 434 K HN -0.080 nan 8.250 nan 0.000 0.436 435 P HA 0.019 nan 4.420 nan 0.000 0.265 435 P C -1.154 176.203 177.300 0.095 0.000 1.193 435 P CA 0.068 63.193 63.100 0.040 0.000 0.765 435 P CB 0.619 32.221 31.700 -0.163 0.000 0.823 436 T N 3.268 117.978 114.554 0.261 0.000 2.921 436 T HA 0.473 4.824 4.350 0.002 0.000 0.297 436 T C -0.919 174.041 174.700 0.433 0.000 1.013 436 T CA -0.438 61.829 62.100 0.278 0.000 0.990 436 T CB 0.926 69.905 68.868 0.185 0.000 1.023 436 T HN 0.138 nan 8.240 nan 0.000 0.447 437 L N 3.128 124.606 121.223 0.425 0.000 2.307 437 L HA 0.891 5.232 4.340 0.002 0.000 0.284 437 L C -0.743 176.324 176.870 0.327 0.000 1.023 437 L CA -0.533 54.565 54.840 0.428 0.000 0.810 437 L CB 0.803 43.121 42.059 0.431 0.000 1.231 437 L HN 0.824 nan 8.230 nan 0.000 0.423 438 A N 6.617 129.602 122.820 0.276 0.000 2.359 438 A HA 0.789 5.110 4.320 0.002 0.000 0.303 438 A C -1.126 176.584 177.584 0.210 0.000 1.066 438 A CA -0.559 51.654 52.037 0.293 0.000 0.730 438 A CB 0.865 20.015 19.000 0.249 0.000 1.211 438 A HN 0.596 nan 8.150 nan 0.000 0.439 439 I N 2.291 122.972 120.570 0.184 0.000 2.404 439 I HA 0.726 4.897 4.170 0.002 0.000 0.293 439 I C -0.565 175.592 176.117 0.068 0.000 0.992 439 I CA -0.832 60.527 61.300 0.099 0.000 1.149 439 I CB 1.131 39.175 38.000 0.074 0.000 1.315 439 I HN 0.360 nan 8.210 nan 0.000 0.446 440 V N 3.183 123.112 119.914 0.025 0.000 3.178 440 V HA 0.722 4.843 4.120 0.002 0.000 0.302 440 V C 0.111 176.192 176.094 -0.022 0.000 1.262 440 V CA -0.473 61.835 62.300 0.013 0.000 1.030 440 V CB 2.642 34.480 31.823 0.026 0.000 1.074 440 V HN 0.972 nan 8.190 nan 0.000 0.438 441 G N 0.555 109.348 108.800 -0.011 0.000 2.488 441 G HA2 0.406 4.367 3.960 0.002 0.000 0.318 441 G HA3 0.406 4.367 3.960 0.002 0.000 0.318 441 G C 0.607 175.500 174.900 -0.012 0.000 1.188 441 G CA 0.359 45.454 45.100 -0.008 0.000 0.944 441 G HN 0.831 nan 8.290 nan 0.000 0.495 442 D N -0.285 120.134 120.400 0.031 0.000 2.178 442 D HA -0.153 4.488 4.640 0.002 0.000 0.201 442 D C 2.194 178.600 176.300 0.177 0.000 0.980 442 D CA 0.703 54.781 54.000 0.131 0.000 0.842 442 D CB -0.053 40.913 40.800 0.277 0.000 0.948 442 D HN 0.317 nan 8.370 nan 0.000 0.472 443 L N 0.597 121.895 121.223 0.124 0.000 2.109 443 L HA -0.100 4.241 4.340 0.002 0.000 0.207 443 L C 2.663 179.640 176.870 0.179 0.000 1.086 443 L CA 0.879 55.805 54.840 0.143 0.000 0.760 443 L CB -0.325 41.806 42.059 0.121 0.000 0.910 443 L HN -0.004 nan 8.230 nan 0.000 0.437 444 S N 0.196 115.975 115.700 0.132 0.000 2.382 444 S HA -0.143 4.328 4.470 0.002 0.000 0.228 444 S C 2.204 176.872 174.600 0.114 0.000 1.027 444 S CA 1.175 59.447 58.200 0.119 0.000 0.991 444 S CB -0.217 63.013 63.200 0.049 0.000 0.823 444 S HN 0.493 nan 8.310 nan 0.000 0.469 445 A N 1.479 124.336 122.820 0.062 0.000 1.877 445 A HA 0.014 4.335 4.320 0.002 0.000 0.216 445 A C 2.118 179.844 177.584 0.236 0.000 1.186 445 A CA 1.149 53.210 52.037 0.039 0.000 0.620 445 A CB -0.732 18.094 19.000 -0.290 0.000 0.822 445 A HN 0.436 nan 8.150 nan 0.000 0.443 446 L N -2.290 119.130 121.223 0.327 0.000 2.093 446 L HA -0.177 4.164 4.340 0.002 0.000 0.208 446 L C 2.527 179.524 176.870 0.212 0.000 1.085 446 L CA 1.343 56.351 54.840 0.280 0.000 0.755 446 L CB -0.601 41.575 42.059 0.195 0.000 0.904 446 L HN 0.491 nan 8.230 nan 0.000 0.435 447 Y N 0.490 120.844 120.300 0.090 0.000 2.165 447 Y HA -0.289 4.262 4.550 0.001 0.000 0.286 447 Y C 1.803 177.738 175.900 0.057 0.000 1.155 447 Y CA 1.794 59.929 58.100 0.058 0.000 1.164 447 Y CB -0.052 38.425 38.460 0.028 0.000 0.978 447 Y HN 0.156 nan 8.280 nan 0.000 0.513 448 D N -0.769 119.788 120.400 0.262 0.000 2.670 448 D HA 0.059 4.700 4.640 0.002 0.000 0.255 448 D C 1.549 177.924 176.300 0.125 0.000 1.286 448 D CA -0.039 54.054 54.000 0.157 0.000 0.830 448 D CB -0.349 40.471 40.800 0.034 0.000 1.065 448 D HN 0.168 nan 8.370 nan 0.000 0.486 449 L N 1.547 122.874 121.223 0.173 0.000 2.030 449 L HA -0.271 4.071 4.340 0.002 0.000 0.222 449 L C 1.594 178.538 176.870 0.123 0.000 1.082 449 L CA 2.092 57.044 54.840 0.186 0.000 0.785 449 L CB -0.849 41.346 42.059 0.227 0.000 0.895 449 L HN 0.306 nan 8.230 nan 0.000 0.439 450 N N -0.674 118.126 118.700 0.166 0.000 2.521 450 N HA 0.014 4.755 4.740 0.002 0.000 0.188 450 N C 1.253 176.781 175.510 0.030 0.000 1.146 450 N CA 0.927 54.081 53.050 0.173 0.000 0.893 450 N CB -0.565 38.192 38.487 0.449 0.000 0.975 450 N HN 0.340 nan 8.380 nan 0.000 0.451 451 A N 0.159 122.968 122.820 -0.018 0.000 2.235 451 A HA 0.208 4.530 4.320 0.002 0.000 0.208 451 A C 1.932 179.337 177.584 -0.298 0.000 1.172 451 A CA -0.004 51.930 52.037 -0.173 0.000 0.786 451 A CB -0.613 18.288 19.000 -0.165 0.000 0.804 451 A HN 0.333 nan 8.150 nan 0.000 0.479 452 L N -0.999 119.996 121.223 -0.380 0.000 2.083 452 L HA -0.230 4.111 4.340 0.002 0.000 0.209 452 L C 3.094 179.548 176.870 -0.694 0.000 1.083 452 L CA 1.021 55.561 54.840 -0.500 0.000 0.752 452 L CB -0.764 41.050 42.059 -0.408 0.000 0.899 452 L HN 0.470 nan 8.230 nan 0.000 0.433 453 A N 0.757 122.956 122.820 -1.036 0.000 1.881 453 A HA -0.289 4.032 4.320 0.002 0.000 0.219 453 A C 2.265 179.763 177.584 -0.144 0.000 1.215 453 A CA 2.111 53.958 52.037 -0.317 0.000 0.648 453 A CB -1.038 18.115 19.000 0.255 0.000 0.832 453 A HN 0.360 nan 8.150 nan 0.000 0.455 454 L N -1.122 119.923 121.223 -0.297 0.000 1.991 454 L HA -0.259 4.082 4.340 0.002 0.000 0.221 454 L C 2.484 179.252 176.870 -0.171 0.000 1.079 454 L CA 1.884 56.541 54.840 -0.305 0.000 0.778 454 L CB -0.542 41.226 42.059 -0.484 0.000 0.893 454 L HN 0.431 nan 8.230 nan 0.000 0.437 455 L N -0.885 120.235 121.223 -0.170 0.000 2.622 455 L HA -0.102 4.239 4.340 0.002 0.000 0.233 455 L C 2.555 179.406 176.870 -0.032 0.000 1.156 455 L CA 0.310 55.091 54.840 -0.099 0.000 0.866 455 L CB -0.451 41.552 42.059 -0.093 0.000 0.980 455 L HN 0.219 nan 8.230 nan 0.000 0.448 456 R N -0.044 120.450 120.500 -0.010 0.000 2.091 456 R HA -0.120 4.221 4.340 0.002 0.000 0.238 456 R C 0.756 177.084 176.300 0.047 0.000 1.136 456 R CA 0.938 57.071 56.100 0.056 0.000 0.959 456 R CB -0.232 30.131 30.300 0.106 0.000 0.856 456 R HN 0.409 nan 8.270 nan 0.000 0.437 457 Q N 1.560 121.376 119.800 0.027 0.000 2.571 457 Q HA 0.213 4.554 4.340 0.002 0.000 0.222 457 Q C -1.041 174.974 176.000 0.025 0.000 1.167 457 Q CA -0.153 55.671 55.803 0.036 0.000 0.966 457 Q CB 1.339 30.099 28.738 0.038 0.000 1.274 457 Q HN 0.074 nan 8.270 nan 0.000 0.552 458 V N -1.186 118.750 119.914 0.036 0.000 2.962 458 V HA 0.422 4.543 4.120 0.002 0.000 0.313 458 V C 0.904 177.027 176.094 0.049 0.000 1.099 458 V CA -0.748 61.572 62.300 0.033 0.000 0.971 458 V CB 1.760 33.602 31.823 0.030 0.000 1.028 458 V HN 0.568 nan 8.190 nan 0.000 0.430 459 S N 0.560 116.288 115.700 0.047 0.000 2.562 459 S HA 0.621 5.092 4.470 0.002 0.000 0.221 459 S C 0.596 175.231 174.600 0.058 0.000 0.975 459 S CA 0.442 58.673 58.200 0.052 0.000 0.918 459 S CB -0.029 63.201 63.200 0.050 0.000 0.772 459 S HN 2.046 nan 8.310 nan 0.000 0.531 460 A N 1.246 124.108 122.820 0.070 0.000 2.612 460 A HA 0.719 5.040 4.320 0.002 0.000 0.293 460 A C -3.227 174.439 177.584 0.137 0.000 1.075 460 A CA -1.844 50.248 52.037 0.092 0.000 0.680 460 A CB 0.517 19.561 19.000 0.073 0.000 1.279 460 A HN 0.127 nan 8.150 nan 0.000 0.411 461 P HA 0.241 nan 4.420 nan 0.000 0.264 461 P C -0.759 176.746 177.300 0.342 0.000 1.183 461 P CA 0.480 63.754 63.100 0.291 0.000 0.763 461 P CB 0.492 32.489 31.700 0.495 0.000 0.807 462 L N 3.936 125.296 121.223 0.227 0.000 2.362 462 L HA 0.517 4.858 4.340 0.002 0.000 0.275 462 L C -1.070 175.870 176.870 0.118 0.000 0.998 462 L CA -0.948 54.017 54.840 0.208 0.000 0.820 462 L CB 1.995 44.120 42.059 0.109 0.000 1.270 462 L HN 0.019 nan 8.230 nan 0.000 0.415 463 V N 5.582 125.573 119.914 0.127 0.000 2.409 463 V HA 0.357 4.478 4.120 0.002 0.000 0.291 463 V C -0.487 175.641 176.094 0.056 0.000 1.020 463 V CA -0.545 61.748 62.300 -0.012 0.000 0.848 463 V CB 1.774 33.526 31.823 -0.118 0.000 0.990 463 V HN 0.548 nan 8.190 nan 0.000 0.430 464 L N 7.105 128.324 121.223 -0.006 0.000 2.264 464 L HA 0.539 4.881 4.340 0.002 0.000 0.287 464 L C -0.177 176.657 176.870 -0.060 0.000 1.039 464 L CA 0.281 55.117 54.840 -0.006 0.000 0.829 464 L CB 0.559 42.601 42.059 -0.029 0.000 1.211 464 L HN 0.482 nan 8.230 nan 0.000 0.427 465 I N 5.666 126.219 120.570 -0.028 0.000 2.416 465 I HA 0.163 4.334 4.170 0.002 0.000 0.288 465 I C -0.377 175.686 176.117 -0.090 0.000 1.051 465 I CA -0.436 60.816 61.300 -0.079 0.000 1.375 465 I CB 1.189 39.175 38.000 -0.022 0.000 1.407 465 I HN 0.241 nan 8.210 nan 0.000 0.516 466 V N 7.935 127.763 119.914 -0.143 0.000 2.293 466 V HA 0.157 4.278 4.120 0.002 0.000 0.275 466 V C 0.194 176.222 176.094 -0.111 0.000 1.021 466 V CA -0.645 61.545 62.300 -0.184 0.000 0.815 466 V CB 1.442 33.036 31.823 -0.381 0.000 1.025 466 V HN 0.401 nan 8.190 nan 0.000 0.448 467 V N 4.769 124.641 119.914 -0.071 0.000 2.439 467 V HA 0.239 4.360 4.120 0.002 0.000 0.271 467 V C 0.336 176.430 176.094 -0.001 0.000 1.040 467 V CA -0.033 62.244 62.300 -0.039 0.000 1.002 467 V CB 0.822 32.624 31.823 -0.035 0.000 1.000 467 V HN 0.849 nan 8.190 nan 0.000 0.477 468 N N 4.741 123.464 118.700 0.038 0.000 2.483 468 N HA 0.293 5.034 4.740 0.002 0.000 0.267 468 N C -0.348 175.205 175.510 0.072 0.000 0.998 468 N CA -0.657 52.451 53.050 0.096 0.000 0.918 468 N CB 1.254 39.861 38.487 0.199 0.000 1.215 468 N HN 0.693 nan 8.380 nan 0.000 0.500 469 N N 1.913 120.643 118.700 0.051 0.000 2.598 469 N HA 0.101 4.842 4.740 0.002 0.000 0.309 469 N C -1.192 174.335 175.510 0.027 0.000 1.645 469 N CA -0.624 52.447 53.050 0.035 0.000 0.936 469 N CB -0.852 37.648 38.487 0.021 0.000 1.323 469 N HN 0.261 nan 8.380 nan 0.000 0.497 470 N N 0.821 119.534 118.700 0.022 0.000 2.036 470 N HA 0.310 5.051 4.740 0.002 0.000 0.288 470 N C 0.966 176.477 175.510 0.002 0.000 1.293 470 N CA 1.472 54.523 53.050 0.002 0.000 0.808 470 N CB -0.045 38.404 38.487 -0.062 0.000 1.040 470 N HN 0.707 nan 8.380 nan 0.000 0.489 490 L N 2.320 123.580 121.223 0.061 0.000 2.267 490 L HA 0.555 4.897 4.340 0.002 0.000 0.264 490 L C 0.649 177.499 176.870 -0.034 0.000 1.021 490 L CA -1.374 53.487 54.840 0.035 0.000 0.861 490 L CB 1.027 43.114 42.059 0.046 0.000 1.443 490 L HN 0.595 nan 8.230 nan 0.000 0.475 491 M N 1.447 121.034 119.600 -0.022 0.000 2.252 491 M HA 0.237 4.718 4.480 0.002 0.000 0.333 491 M C -1.938 174.343 176.300 -0.031 0.000 1.111 491 M CA -0.794 54.486 55.300 -0.033 0.000 1.140 491 M CB 0.776 33.364 32.600 -0.020 0.000 1.538 491 M HN 0.334 nan 8.290 nan 0.000 0.448 492 P HA 0.058 nan 4.420 nan 0.000 0.291 492 P C -1.332 175.951 177.300 -0.029 0.000 1.287 492 P CA -0.118 62.960 63.100 -0.036 0.000 0.767 492 P CB 0.326 32.003 31.700 -0.039 0.000 1.290 493 Q N 0.280 120.059 119.800 -0.034 0.000 3.761 493 Q HA 0.181 4.522 4.340 0.002 0.000 0.206 493 Q C -1.232 174.729 176.000 -0.066 0.000 0.900 493 Q CA -0.153 55.624 55.803 -0.044 0.000 0.737 493 Q CB 0.055 28.772 28.738 -0.035 0.000 1.454 493 Q HN 0.263 nan 8.270 nan 0.000 0.448 494 N N 1.552 120.211 118.700 -0.067 0.000 2.678 494 N HA 0.251 4.992 4.740 0.002 0.000 0.231 494 N C -0.915 174.466 175.510 -0.214 0.000 1.038 494 N CA 0.071 53.059 53.050 -0.104 0.000 0.932 494 N CB 1.024 39.489 38.487 -0.036 0.000 1.176 494 N HN 0.154 nan 8.380 nan 0.000 0.511 495 V N 3.624 123.346 119.914 -0.320 0.000 2.617 495 V HA 0.395 4.516 4.120 0.002 0.000 0.298 495 V C 0.182 175.866 176.094 -0.682 0.000 1.048 495 V CA -0.527 61.548 62.300 -0.375 0.000 0.964 495 V CB 1.436 33.075 31.823 -0.307 0.000 1.004 495 V HN 0.586 nan 8.190 nan 0.000 0.466 496 H N 2.432 121.347 119.070 -0.258 0.000 2.927 496 H HA 0.472 5.029 4.556 0.002 0.000 0.316 496 H C -0.697 174.358 175.328 -0.456 0.000 1.403 496 H CA -0.577 55.330 56.048 -0.235 0.000 1.288 496 H CB 1.790 31.542 29.762 -0.017 0.000 1.944 496 H HN 0.535 nan 8.280 nan 0.000 0.629 497 F N -0.356 119.752 119.950 0.262 0.000 2.688 497 F HA 0.169 4.697 4.527 0.001 0.000 0.310 497 F C 2.052 177.816 175.800 -0.060 0.000 1.098 497 F CA -0.099 58.019 58.000 0.197 0.000 1.228 497 F CB 0.663 39.837 39.000 0.291 0.000 1.042 497 F HN 0.482 nan 8.300 nan 0.000 0.557 498 E N 0.204 120.113 120.200 -0.486 0.000 2.017 498 E HA -0.194 4.157 4.350 0.002 0.000 0.193 498 E C 1.787 178.088 176.600 -0.498 0.000 0.997 498 E CA 1.325 57.050 56.400 -1.125 0.000 0.804 498 E CB -0.075 28.958 29.700 -1.112 0.000 0.757 498 E HN 0.472 nan 8.360 nan 0.000 0.448 499 H N -0.445 118.492 119.070 -0.222 0.000 2.456 499 H HA -0.059 4.498 4.556 0.002 0.000 0.296 499 H C 1.921 177.215 175.328 -0.056 0.000 1.079 499 H CA 1.061 57.030 56.048 -0.132 0.000 1.322 499 H CB -0.074 29.624 29.762 -0.106 0.000 1.388 499 H HN 0.211 nan 8.280 nan 0.000 0.538 500 A N 1.403 124.293 122.820 0.116 0.000 1.832 500 A HA -0.063 4.258 4.320 0.002 0.000 0.214 500 A C 2.752 180.487 177.584 0.251 0.000 1.200 500 A CA 1.712 53.885 52.037 0.225 0.000 0.610 500 A CB -1.049 18.154 19.000 0.337 0.000 0.842 500 A HN 0.398 nan 8.150 nan 0.000 0.444 501 A N -0.282 122.670 122.820 0.219 0.000 1.958 501 A HA 0.002 4.323 4.320 0.002 0.000 0.221 501 A C 2.403 180.070 177.584 0.139 0.000 1.178 501 A CA 2.575 54.742 52.037 0.216 0.000 0.642 501 A CB -0.941 18.200 19.000 0.235 0.000 0.816 501 A HN 1.200 nan 8.150 nan 0.000 0.453 502 A N -1.559 121.284 122.820 0.038 0.000 2.021 502 A HA 0.124 4.445 4.320 0.002 0.000 0.216 502 A C 2.124 179.693 177.584 -0.025 0.000 1.163 502 A CA 1.250 53.288 52.037 0.001 0.000 0.676 502 A CB -0.422 18.553 19.000 -0.042 0.000 0.818 502 A HN 0.558 nan 8.150 nan 0.000 0.453 503 M N -1.508 118.052 119.600 -0.067 0.000 2.213 503 M HA -0.067 4.414 4.480 0.002 0.000 0.263 503 M C 0.235 176.259 176.300 -0.459 0.000 1.062 503 M CA 1.581 56.704 55.300 -0.294 0.000 1.105 503 M CB -0.047 32.281 32.600 -0.453 0.000 1.385 503 M HN 0.411 nan 8.290 nan 0.000 0.417 504 F N 0.598 120.590 119.950 0.069 0.000 2.684 504 F HA 0.242 4.770 4.527 0.001 0.000 0.298 504 F C 0.249 176.087 175.800 0.064 0.000 1.120 504 F CA -0.250 57.797 58.000 0.077 0.000 1.332 504 F CB -0.157 38.902 39.000 0.099 0.000 0.986 504 F HN 0.155 nan 8.300 nan 0.000 0.524 505 E N 0.881 121.157 120.200 0.125 0.000 2.320 505 E HA -0.217 4.135 4.350 0.002 0.000 0.234 505 E C -0.765 175.904 176.600 0.114 0.000 1.183 505 E CA 0.135 56.593 56.400 0.097 0.000 0.713 505 E CB -1.622 28.130 29.700 0.086 0.000 1.226 505 E HN 0.387 nan 8.360 nan 0.000 0.382 506 L N 0.128 121.427 121.223 0.128 0.000 2.334 506 L HA 0.469 4.810 4.340 0.002 0.000 0.272 506 L C 0.545 177.467 176.870 0.086 0.000 1.020 506 L CA -1.121 53.787 54.840 0.113 0.000 0.812 506 L CB 1.160 43.302 42.059 0.139 0.000 1.264 506 L HN -0.106 nan 8.230 nan 0.000 0.439 507 K N 0.952 121.389 120.400 0.061 0.000 2.319 507 K HA 0.338 4.659 4.320 0.002 0.000 0.265 507 K C -1.208 175.420 176.600 0.048 0.000 1.000 507 K CA 0.103 56.402 56.287 0.020 0.000 0.943 507 K CB 0.444 32.949 32.500 0.008 0.000 0.950 507 K HN 0.398 nan 8.250 nan 0.000 0.485 508 Y N 1.116 121.282 120.300 -0.223 0.000 2.513 508 Y HA 0.346 4.897 4.550 0.002 0.000 0.340 508 Y C -1.370 174.261 175.900 -0.448 0.000 1.055 508 Y CA -0.659 57.322 58.100 -0.198 0.000 1.020 508 Y CB 1.572 39.956 38.460 -0.126 0.000 1.301 508 Y HN 0.620 nan 8.280 nan 0.000 0.453 509 H N 4.820 123.458 119.070 -0.721 0.000 3.038 509 H HA 0.429 4.986 4.556 0.002 0.000 0.362 509 H C -1.329 173.601 175.328 -0.664 0.000 1.167 509 H CA -0.960 54.802 56.048 -0.476 0.000 1.197 509 H CB 2.525 32.077 29.762 -0.350 0.000 1.840 509 H HN 0.653 nan 8.280 nan 0.000 0.540 510 R N 3.299 123.660 120.500 -0.232 0.000 2.547 510 R HA 0.240 4.581 4.340 0.002 0.000 0.280 510 R C -2.909 173.339 176.300 -0.086 0.000 1.630 510 R CA -1.599 54.386 56.100 -0.192 0.000 1.470 510 R CB 0.795 31.069 30.300 -0.043 0.000 1.178 510 R HN 0.326 nan 8.270 nan 0.000 0.591 511 P HA 0.072 nan 4.420 nan 0.000 0.271 511 P C -0.201 177.052 177.300 -0.079 0.000 1.220 511 P CA -0.132 62.917 63.100 -0.085 0.000 0.768 511 P CB 1.422 33.074 31.700 -0.080 0.000 0.848 512 Q N 2.024 121.697 119.800 -0.210 0.000 2.424 512 Q HA 0.040 4.381 4.340 0.002 0.000 0.204 512 Q C 0.177 175.674 176.000 -0.838 0.000 0.933 512 Q CA 0.756 56.374 55.803 -0.309 0.000 0.929 512 Q CB -0.161 28.445 28.738 -0.220 0.000 1.037 512 Q HN 0.737 nan 8.270 nan 0.000 0.511 513 N N -4.366 113.627 118.700 -1.178 0.000 3.355 513 N HA 0.022 4.763 4.740 0.002 0.000 0.238 513 N C -0.654 174.302 175.510 -0.922 0.000 1.466 513 N CA -0.687 51.303 53.050 -1.767 0.000 0.882 513 N CB -0.594 37.413 38.487 -0.800 0.000 1.406 513 N HN -0.078 nan 8.380 nan 0.000 0.500 514 W N -0.169 120.933 121.300 -0.330 0.000 2.333 514 W HA -0.098 4.563 4.660 0.002 0.000 0.316 514 W C 2.091 178.638 176.519 0.046 0.000 1.215 514 W CA 1.169 58.575 57.345 0.101 0.000 1.278 514 W CB -0.393 29.188 29.460 0.201 0.000 1.154 514 W HN 0.566 nan 8.180 nan 0.000 0.486 515 Q N 0.466 120.389 119.800 0.205 0.000 2.118 515 Q HA -0.288 4.053 4.340 0.002 0.000 0.211 515 Q C 1.919 177.955 176.000 0.060 0.000 0.998 515 Q CA 2.226 58.099 55.803 0.118 0.000 0.872 515 Q CB -0.589 28.183 28.738 0.056 0.000 0.925 515 Q HN 0.505 nan 8.270 nan 0.000 0.414 516 E N 0.156 120.337 120.200 -0.033 0.000 2.150 516 E HA -0.166 4.185 4.350 0.002 0.000 0.193 516 E C 1.964 178.514 176.600 -0.085 0.000 0.985 516 E CA 0.580 56.933 56.400 -0.078 0.000 0.814 516 E CB -0.039 29.583 29.700 -0.129 0.000 0.752 516 E HN 0.194 nan 8.360 nan 0.000 0.466 517 L N 1.588 122.811 121.223 -0.001 0.000 2.007 517 L HA -0.147 4.194 4.340 0.002 0.000 0.205 517 L C 1.944 178.853 176.870 0.065 0.000 1.073 517 L CA 1.810 56.642 54.840 -0.013 0.000 0.744 517 L CB -0.252 41.899 42.059 0.154 0.000 0.898 517 L HN -0.047 nan 8.230 nan 0.000 0.435 518 E N -1.012 119.361 120.200 0.288 0.000 2.136 518 E HA -0.275 4.076 4.350 0.002 0.000 0.202 518 E C 1.927 178.625 176.600 0.163 0.000 1.019 518 E CA 2.167 58.768 56.400 0.335 0.000 0.819 518 E CB -0.297 29.597 29.700 0.323 0.000 0.739 518 E HN 0.558 nan 8.360 nan 0.000 0.458 519 T N 0.226 114.806 114.554 0.043 0.000 2.777 519 T HA -0.128 4.223 4.350 0.002 0.000 0.266 519 T C 1.913 176.500 174.700 -0.189 0.000 1.040 519 T CA 1.208 63.287 62.100 -0.036 0.000 1.141 519 T CB -0.211 68.626 68.868 -0.052 0.000 0.868 519 T HN 0.287 nan 8.240 nan 0.000 0.444 520 A N 0.309 122.894 122.820 -0.393 0.000 2.067 520 A HA 0.080 4.401 4.320 0.002 0.000 0.219 520 A C 1.869 179.095 177.584 -0.595 0.000 1.158 520 A CA 0.971 52.492 52.037 -0.859 0.000 0.661 520 A CB -0.754 17.630 19.000 -1.027 0.000 0.801 520 A HN 0.411 nan 8.150 nan 0.000 0.452 521 F N 0.090 119.848 119.950 -0.321 0.000 2.128 521 F HA 0.037 4.565 4.527 0.002 0.000 0.295 521 F C 2.764 178.381 175.800 -0.306 0.000 1.100 521 F CA 0.517 58.292 58.000 -0.375 0.000 1.260 521 F CB -0.888 38.033 39.000 -0.132 0.000 1.009 521 F HN 0.252 nan 8.300 nan 0.000 0.476 522 A N 0.098 122.991 122.820 0.121 0.000 1.869 522 A HA -0.359 3.962 4.320 0.002 0.000 0.218 522 A C 1.989 179.619 177.584 0.077 0.000 1.203 522 A CA 2.491 54.616 52.037 0.146 0.000 0.638 522 A CB -1.384 17.684 19.000 0.113 0.000 0.831 522 A HN 0.403 nan 8.150 nan 0.000 0.450 523 D N -0.546 119.847 120.400 -0.012 0.000 2.103 523 D HA -0.101 4.540 4.640 0.002 0.000 0.190 523 D C 2.004 178.306 176.300 0.005 0.000 0.997 523 D CA 2.301 56.308 54.000 0.012 0.000 0.833 523 D CB -0.336 40.478 40.800 0.024 0.000 0.961 523 D HN 0.380 nan 8.370 nan 0.000 0.447 524 A N -0.711 122.031 122.820 -0.129 0.000 2.067 524 A HA -0.076 4.245 4.320 0.002 0.000 0.219 524 A C 2.035 179.578 177.584 -0.067 0.000 1.158 524 A CA 0.946 52.885 52.037 -0.165 0.000 0.661 524 A CB -1.210 17.576 19.000 -0.356 0.000 0.801 524 A HN 0.554 nan 8.150 nan 0.000 0.452 525 W N 0.365 121.751 121.300 0.143 0.000 2.937 525 W HA -0.016 4.645 4.660 0.002 0.000 0.245 525 W C 2.376 178.948 176.519 0.088 0.000 1.306 525 W CA 0.390 57.807 57.345 0.120 0.000 1.470 525 W CB 0.115 29.643 29.460 0.113 0.000 1.132 525 W HN 0.468 nan 8.180 nan 0.000 0.675 526 R N 0.940 121.610 120.500 0.283 0.000 2.092 526 R HA -0.054 4.287 4.340 0.002 0.000 0.231 526 R C 0.892 177.286 176.300 0.157 0.000 1.119 526 R CA 1.700 57.915 56.100 0.192 0.000 0.970 526 R CB -0.869 29.514 30.300 0.139 0.000 0.864 526 R HN 0.001 nan 8.270 nan 0.000 0.440 527 T N -2.124 112.519 114.554 0.148 0.000 2.916 527 T HA 0.480 4.831 4.350 0.002 0.000 0.292 527 T C -2.882 171.895 174.700 0.128 0.000 1.064 527 T CA -2.476 59.697 62.100 0.121 0.000 1.011 527 T CB 2.415 71.339 68.868 0.093 0.000 1.152 527 T HN -0.101 nan 8.240 nan 0.000 0.510 528 P HA 0.284 nan 4.420 nan 0.000 0.238 528 P C -0.157 177.197 177.300 0.091 0.000 1.794 528 P CA -0.021 63.142 63.100 0.105 0.000 1.088 528 P CB -0.395 31.356 31.700 0.085 0.000 1.923 529 T N -1.353 113.259 114.554 0.096 0.000 2.716 529 T HA 0.587 4.938 4.350 0.002 0.000 0.286 529 T C -0.380 174.367 174.700 0.079 0.000 1.052 529 T CA -0.552 61.596 62.100 0.080 0.000 1.024 529 T CB 1.254 70.167 68.868 0.074 0.000 1.349 529 T HN -0.104 nan 8.240 nan 0.000 0.525 530 T N 1.267 115.857 114.554 0.061 0.000 2.895 530 T HA 0.703 5.054 4.350 0.002 0.000 0.283 530 T C -0.826 173.896 174.700 0.038 0.000 1.014 530 T CA -0.399 61.728 62.100 0.045 0.000 1.037 530 T CB 1.457 70.343 68.868 0.029 0.000 1.006 530 T HN 0.788 nan 8.240 nan 0.000 0.468 531 T N 1.966 116.524 114.554 0.007 0.000 2.991 531 T HA 0.440 4.791 4.350 0.002 0.000 0.303 531 T C -0.682 173.999 174.700 -0.030 0.000 1.015 531 T CA -0.431 61.668 62.100 -0.003 0.000 1.007 531 T CB 1.270 70.111 68.868 -0.046 0.000 1.034 531 T HN 0.322 nan 8.240 nan 0.000 0.446 532 V N 5.104 125.018 119.914 0.001 0.000 2.432 532 V HA 0.481 4.602 4.120 0.002 0.000 0.275 532 V C -0.081 175.897 176.094 -0.194 0.000 1.043 532 V CA -0.545 61.730 62.300 -0.041 0.000 0.925 532 V CB 1.045 32.934 31.823 0.110 0.000 0.985 532 V HN 0.754 nan 8.190 nan 0.000 0.466 533 I N 4.637 125.058 120.570 -0.248 0.000 2.355 533 I HA 0.374 4.545 4.170 0.002 0.000 0.288 533 I C 0.140 176.082 176.117 -0.291 0.000 0.999 533 I CA -0.189 60.906 61.300 -0.342 0.000 1.163 533 I CB 1.445 39.165 38.000 -0.467 0.000 1.316 533 I HN 0.652 nan 8.210 nan 0.000 0.454 534 E N 7.796 127.801 120.200 -0.325 0.000 2.134 534 E HA 0.367 4.718 4.350 0.002 0.000 0.278 534 E C -1.019 175.532 176.600 -0.082 0.000 0.959 534 E CA -0.671 55.651 56.400 -0.130 0.000 0.783 534 E CB 1.069 30.788 29.700 0.032 0.000 1.095 534 E HN 0.463 nan 8.360 nan 0.000 0.399 535 M N 5.112 124.674 119.600 -0.063 0.000 2.066 535 M HA 0.256 4.737 4.480 0.002 0.000 0.340 535 M C -1.180 175.115 176.300 -0.009 0.000 1.053 535 M CA -0.785 54.479 55.300 -0.060 0.000 0.983 535 M CB 1.526 34.036 32.600 -0.150 0.000 1.520 535 M HN 0.353 nan 8.290 nan 0.000 0.428 536 V N 5.642 125.586 119.914 0.050 0.000 2.465 536 V HA 0.567 4.688 4.120 0.002 0.000 0.279 536 V C 0.093 176.208 176.094 0.034 0.000 1.045 536 V CA -0.480 61.870 62.300 0.082 0.000 0.938 536 V CB 1.382 33.294 31.823 0.147 0.000 0.986 536 V HN 0.709 nan 8.190 nan 0.000 0.467 537 V N 2.107 122.033 119.914 0.020 0.000 3.182 537 V HA 0.693 4.814 4.120 0.002 0.000 0.308 537 V C -0.344 175.757 176.094 0.013 0.000 1.240 537 V CA -1.131 61.165 62.300 -0.005 0.000 1.063 537 V CB 2.215 34.011 31.823 -0.044 0.000 1.076 537 V HN 0.642 nan 8.190 nan 0.000 0.446 538 N N 0.759 119.464 118.700 0.009 0.000 2.379 538 N HA 0.237 4.978 4.740 0.002 0.000 0.260 538 N C 0.391 175.907 175.510 0.010 0.000 1.254 538 N CA 0.584 53.642 53.050 0.013 0.000 0.958 538 N CB 1.348 39.842 38.487 0.012 0.000 1.208 538 N HN 1.000 nan 8.380 nan 0.000 0.532 539 D N -2.093 118.313 120.400 0.010 0.000 2.289 539 D HA -0.086 4.556 4.640 0.002 0.000 0.207 539 D C 1.423 177.727 176.300 0.007 0.000 0.966 539 D CA 1.045 55.050 54.000 0.009 0.000 0.868 539 D CB -0.105 40.700 40.800 0.009 0.000 0.943 539 D HN 0.579 nan 8.370 nan 0.000 0.514 540 T N -2.843 111.715 114.554 0.007 0.000 3.023 540 T HA -0.012 4.339 4.350 0.002 0.000 0.249 540 T C 1.432 176.136 174.700 0.007 0.000 1.050 540 T CA 0.086 62.190 62.100 0.007 0.000 1.088 540 T CB -0.155 68.717 68.868 0.008 0.000 0.946 540 T HN -0.037 nan 8.240 nan 0.000 0.480 541 D N 2.078 122.482 120.400 0.007 0.000 2.158 541 D HA -0.104 4.537 4.640 0.002 0.000 0.197 541 D C 2.210 178.515 176.300 0.009 0.000 0.995 541 D CA 1.592 55.598 54.000 0.009 0.000 0.846 541 D CB -0.449 40.358 40.800 0.010 0.000 0.941 541 D HN 0.580 nan 8.370 nan 0.000 0.456 542 G N 1.456 110.258 108.800 0.005 0.000 2.505 542 G HA2 -0.155 3.806 3.960 0.002 0.000 0.214 542 G HA3 -0.155 3.806 3.960 0.002 0.000 0.214 542 G C 1.815 176.718 174.900 0.006 0.000 1.237 542 G CA 1.351 46.454 45.100 0.005 0.000 0.802 542 G HN 0.358 nan 8.290 nan 0.000 0.549 543 A N -0.151 122.671 122.820 0.004 0.000 2.032 543 A HA -0.135 4.187 4.320 0.002 0.000 0.221 543 A C 2.294 179.881 177.584 0.004 0.000 1.165 543 A CA 2.206 54.245 52.037 0.003 0.000 0.645 543 A CB -0.397 18.605 19.000 0.003 0.000 0.807 543 A HN 0.506 nan 8.150 nan 0.000 0.453 544 Q N -1.430 118.374 119.800 0.005 0.000 2.096 544 Q HA -0.084 4.257 4.340 0.002 0.000 0.197 544 Q C 2.122 178.124 176.000 0.004 0.000 0.964 544 Q CA 1.640 57.446 55.803 0.005 0.000 0.838 544 Q CB -0.111 28.631 28.738 0.006 0.000 0.906 544 Q HN 0.668 nan 8.270 nan 0.000 0.444 545 T N 1.551 116.109 114.554 0.006 0.000 2.778 545 T HA -0.186 4.165 4.350 0.002 0.000 0.269 545 T C 1.639 176.338 174.700 -0.002 0.000 1.050 545 T CA 1.136 63.239 62.100 0.004 0.000 1.137 545 T CB -0.218 68.657 68.868 0.012 0.000 0.860 545 T HN 0.167 nan 8.240 nan 0.000 0.468 546 L N 0.901 122.124 121.223 -0.000 0.000 2.056 546 L HA 0.007 4.348 4.340 0.002 0.000 0.207 546 L C 2.433 179.301 176.870 -0.004 0.000 1.078 546 L CA 1.726 56.564 54.840 -0.003 0.000 0.749 546 L CB -0.702 41.356 42.059 -0.003 0.000 0.901 546 L HN 0.162 nan 8.230 nan 0.000 0.433 547 Q N -0.976 118.824 119.800 -0.001 0.000 2.124 547 Q HA -0.238 4.103 4.340 0.002 0.000 0.202 547 Q C 2.251 178.250 176.000 -0.001 0.000 0.977 547 Q CA 2.066 57.870 55.803 0.002 0.000 0.850 547 Q CB -0.070 28.670 28.738 0.004 0.000 0.901 547 Q HN 0.662 nan 8.270 nan 0.000 0.429 548 Q N -0.046 119.749 119.800 -0.007 0.000 2.020 548 Q HA -0.118 4.223 4.340 0.002 0.000 0.198 548 Q C 2.154 178.140 176.000 -0.022 0.000 0.974 548 Q CA 1.034 56.826 55.803 -0.017 0.000 0.829 548 Q CB -0.050 28.677 28.738 -0.017 0.000 0.894 548 Q HN 0.349 nan 8.270 nan 0.000 0.433 549 L N 0.403 121.616 121.223 -0.018 0.000 2.042 549 L HA -0.226 4.115 4.340 0.002 0.000 0.210 549 L C 2.407 179.274 176.870 -0.005 0.000 1.076 549 L CA 0.634 55.463 54.840 -0.018 0.000 0.749 549 L CB -0.541 41.505 42.059 -0.021 0.000 0.893 549 L HN 0.273 nan 8.230 nan 0.000 0.432 550 L N 0.310 121.533 121.223 0.000 0.000 2.012 550 L HA -0.163 4.178 4.340 0.002 0.000 0.210 550 L C 2.580 179.467 176.870 0.028 0.000 1.073 550 L CA 2.139 56.987 54.840 0.013 0.000 0.748 550 L CB -0.829 41.236 42.059 0.009 0.000 0.891 550 L HN 0.145 nan 8.230 nan 0.000 0.431 551 A N -1.126 121.704 122.820 0.017 0.000 1.969 551 A HA -0.239 4.082 4.320 0.002 0.000 0.218 551 A C 2.305 179.881 177.584 -0.014 0.000 1.169 551 A CA 1.595 53.651 52.037 0.032 0.000 0.635 551 A CB -0.629 18.380 19.000 0.015 0.000 0.810 551 A HN 0.695 nan 8.150 nan 0.000 0.445 552 Q N -0.141 119.624 119.800 -0.059 0.000 1.990 552 Q HA -0.133 4.208 4.340 0.002 0.000 0.200 552 Q C 1.897 177.899 176.000 0.004 0.000 0.980 552 Q CA 2.174 57.926 55.803 -0.085 0.000 0.832 552 Q CB -0.277 28.421 28.738 -0.065 0.000 0.897 552 Q HN 0.341 nan 8.270 nan 0.000 0.427 553 V N 1.403 121.335 119.914 0.030 0.000 2.453 553 V HA -0.287 3.835 4.120 0.002 0.000 0.252 553 V C 2.491 178.646 176.094 0.102 0.000 1.068 553 V CA 2.002 64.340 62.300 0.063 0.000 1.070 553 V CB -0.856 31.009 31.823 0.070 0.000 0.664 553 V HN 0.600 nan 8.190 nan 0.000 0.461 554 S N -1.197 114.580 115.700 0.127 0.000 2.436 554 S HA -0.162 4.309 4.470 0.002 0.000 0.228 554 S C 1.835 176.534 174.600 0.166 0.000 1.014 554 S CA 0.964 59.247 58.200 0.138 0.000 0.950 554 S CB -0.663 62.614 63.200 0.129 0.000 0.784 554 S HN 0.747 nan 8.310 nan 0.000 0.504 555 H N 1.128 120.210 119.070 0.021 0.000 2.495 555 H HA 0.135 4.692 4.556 0.002 0.000 0.287 555 H C 0.863 176.197 175.328 0.011 0.000 1.033 555 H CA 0.603 56.660 56.048 0.015 0.000 1.307 555 H CB -0.098 29.671 29.762 0.011 0.000 1.401 555 H HN 0.447 nan 8.280 nan 0.000 0.555 556 L N 0.000 121.311 121.223 0.147 0.000 2.949 556 L HA 0.000 4.341 4.340 0.002 0.000 0.249 556 L CA 0.000 54.886 54.840 0.077 0.000 0.813 556 L CB 0.000 42.086 42.059 0.045 0.000 0.961 556 L HN 0.000 nan 8.230 nan 0.000 0.502