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 1mf8_1_A DATA FIRST_RESID 20 DATA SEQUENCE AVPFPPSHRL TAKEVFDNDG KPRVDILKAH LMKEGRLEES VALRIITEGA DATA SEQUENCE SILRQEKNLL DIDAPVTVCG DIHGQFFDLM KLFEVGGSPA NTRYLFLGDY DATA SEQUENCE VDRGYFSIEC VLYLWALKIL YPKTLFLLRG NHECRHLTEY FTFKQECKIK DATA SEQUENCE YSERVYDACM DAFDCLPLAA LMNQQFLCVH GGLSPEINTL DDIRKLDRFK DATA SEQUENCE EPPAYGPMCD ILWSDPLEDF GNEKTQEHFT HNTVRGCSYF YSYPAVCEFL DATA SEQUENCE QHNNLLSILR AHEAQDAGYR MYRKSQTTGF PSLITIFSAP NYLDVYNNKA DATA SEQUENCE AVLKYENNVM NIRQFNCSPH PYWLPNFMDV FTWSLPFVGE KVTEMLVNVL DATA SEQUENCE NI 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.597 177.584 0.022 0.000 1.274 20 A CA 0.000 52.047 52.037 0.016 0.000 0.836 20 A CB 0.000 19.004 19.000 0.006 0.000 0.831 21 V N 3.389 123.321 119.914 0.029 0.000 2.427 21 V HA 0.334 4.452 4.120 -0.003 0.000 0.268 21 V C -1.984 174.148 176.094 0.063 0.000 1.046 21 V CA -0.958 61.358 62.300 0.027 0.000 0.970 21 V CB 0.389 32.221 31.823 0.015 0.000 1.001 21 V HN 0.370 nan 8.190 nan 0.000 0.476 22 P HA 0.132 nan 4.420 nan 0.000 0.267 22 P C -0.865 176.498 177.300 0.105 0.000 1.200 22 P CA -0.013 63.136 63.100 0.081 0.000 0.772 22 P CB 0.281 32.012 31.700 0.052 0.000 0.855 23 F N 3.174 123.113 119.950 -0.018 0.000 2.436 23 F HA 0.422 4.947 4.527 -0.003 0.000 0.340 23 F C -1.975 173.813 175.800 -0.021 0.000 1.113 23 F CA -2.556 55.429 58.000 -0.025 0.000 1.022 23 F CB 0.969 39.960 39.000 -0.016 0.000 1.128 23 F HN 0.267 nan 8.300 nan 0.000 0.466 24 P HA 0.086 nan 4.420 nan 0.000 0.265 24 P C -2.559 174.775 177.300 0.056 0.000 1.193 24 P CA -0.671 62.354 63.100 -0.125 0.000 0.765 24 P CB -0.106 31.451 31.700 -0.239 0.000 0.823 25 P HA 0.005 nan 4.420 nan 0.000 0.276 25 P C 0.560 177.932 177.300 0.120 0.000 1.253 25 P CA 0.036 63.197 63.100 0.101 0.000 0.766 25 P CB 0.873 32.606 31.700 0.054 0.000 0.845 26 S N 2.052 117.853 115.700 0.169 0.000 2.423 26 S HA -0.171 4.297 4.470 -0.003 0.000 0.231 26 S C 0.930 175.630 174.600 0.166 0.000 1.014 26 S CA 0.465 58.754 58.200 0.149 0.000 0.965 26 S CB -1.081 62.207 63.200 0.147 0.000 0.785 26 S HN 0.683 nan 8.310 nan 0.000 0.495 27 H N 2.898 122.054 119.070 0.144 0.000 2.899 27 H HA 0.385 4.939 4.556 -0.003 0.000 0.303 27 H C -0.060 175.381 175.328 0.189 0.000 1.042 27 H CA -0.329 55.800 56.048 0.136 0.000 1.479 27 H CB 0.303 30.131 29.762 0.110 0.000 1.493 27 H HN 0.189 nan 8.280 nan 0.000 0.534 28 R N 5.857 126.071 120.500 -0.476 0.000 2.216 28 R HA 0.194 4.532 4.340 -0.003 0.000 0.332 28 R C 0.079 175.997 176.300 -0.636 0.000 1.056 28 R CA -0.692 55.205 56.100 -0.337 0.000 0.901 28 R CB 0.742 30.964 30.300 -0.129 0.000 1.039 28 R HN 0.629 nan 8.270 nan 0.000 0.456 29 L N 2.219 123.157 121.223 -0.474 0.000 2.613 29 L HA -0.122 4.216 4.340 -0.003 0.000 0.304 29 L C 1.342 178.147 176.870 -0.108 0.000 1.266 29 L CA 0.864 55.519 54.840 -0.309 0.000 0.868 29 L CB -0.155 41.757 42.059 -0.244 0.000 1.111 29 L HN 0.722 nan 8.230 nan 0.000 0.515 30 T N -0.378 114.184 114.554 0.012 0.000 2.936 30 T HA 0.534 4.883 4.350 -0.003 0.000 0.282 30 T C 0.993 175.747 174.700 0.090 0.000 1.003 30 T CA -0.223 61.916 62.100 0.067 0.000 1.005 30 T CB 1.760 70.691 68.868 0.105 0.000 1.097 30 T HN 0.620 nan 8.240 nan 0.000 0.532 31 A N 1.155 124.055 122.820 0.134 0.000 1.883 31 A HA -0.046 4.272 4.320 -0.003 0.000 0.217 31 A C 2.369 180.086 177.584 0.222 0.000 1.186 31 A CA 1.692 53.871 52.037 0.238 0.000 0.624 31 A CB -0.957 18.145 19.000 0.169 0.000 0.822 31 A HN 0.928 nan 8.150 nan 0.000 0.444 32 K N -0.507 119.971 120.400 0.130 0.000 2.147 32 K HA -0.142 4.176 4.320 -0.003 0.000 0.205 32 K C 1.817 178.457 176.600 0.067 0.000 1.049 32 K CA 1.548 57.893 56.287 0.097 0.000 0.936 32 K CB -0.139 32.401 32.500 0.066 0.000 0.722 32 K HN 0.646 nan 8.250 nan 0.000 0.446 33 E N -0.028 120.202 120.200 0.050 0.000 2.285 33 E HA -0.083 4.265 4.350 -0.003 0.000 0.194 33 E C 1.737 178.312 176.600 -0.042 0.000 0.997 33 E CA 0.538 56.945 56.400 0.011 0.000 0.845 33 E CB 0.375 30.090 29.700 0.025 0.000 0.782 33 E HN 0.045 nan 8.360 nan 0.000 0.491 34 V N 0.201 120.070 119.914 -0.074 0.000 2.521 34 V HA 0.014 4.132 4.120 -0.003 0.000 0.239 34 V C 0.387 176.239 176.094 -0.402 0.000 1.053 34 V CA 0.811 62.941 62.300 -0.283 0.000 1.073 34 V CB 0.071 31.626 31.823 -0.446 0.000 0.746 34 V HN 0.034 nan 8.190 nan 0.000 0.476 35 F N 1.504 121.452 119.950 -0.004 0.000 2.420 35 F HA 0.464 4.990 4.527 -0.003 0.000 0.342 35 F C 0.434 176.225 175.800 -0.015 0.000 1.113 35 F CA -1.669 56.322 58.000 -0.016 0.000 1.059 35 F CB 0.566 39.557 39.000 -0.015 0.000 1.128 35 F HN 0.225 nan 8.300 nan 0.000 0.475 36 D N 0.311 120.794 120.400 0.138 0.000 2.414 36 D HA 0.006 4.644 4.640 -0.003 0.000 0.251 36 D C 0.761 177.106 176.300 0.074 0.000 1.252 36 D CA -0.433 53.612 54.000 0.074 0.000 0.999 36 D CB 0.426 41.246 40.800 0.033 0.000 1.093 36 D HN 0.427 nan 8.370 nan 0.000 0.515 37 N N -0.854 117.871 118.700 0.042 0.000 2.453 37 N HA -0.125 4.613 4.740 -0.003 0.000 0.183 37 N C 0.069 175.589 175.510 0.018 0.000 1.041 37 N CA 0.612 53.679 53.050 0.028 0.000 0.900 37 N CB -0.020 38.478 38.487 0.018 0.000 0.961 37 N HN 0.382 nan 8.380 nan 0.000 0.443 38 D N -1.172 119.239 120.400 0.018 0.000 2.339 38 D HA 0.169 4.807 4.640 -0.003 0.000 0.217 38 D C 1.147 177.451 176.300 0.006 0.000 1.050 38 D CA 0.542 54.545 54.000 0.006 0.000 0.856 38 D CB 0.174 40.974 40.800 0.000 0.000 0.922 38 D HN 0.303 nan 8.370 nan 0.000 0.518 39 G N 0.529 109.348 108.800 0.031 0.000 2.175 39 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.244 39 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.244 39 G C 0.304 175.277 174.900 0.121 0.000 0.982 39 G CA -0.306 44.814 45.100 0.034 0.000 0.641 39 G HN 0.273 nan 8.290 nan 0.000 0.527 40 K N 1.337 121.788 120.400 0.085 0.000 2.298 40 K HA 0.396 4.714 4.320 -0.003 0.000 0.280 40 K C -2.494 174.146 176.600 0.068 0.000 1.032 40 K CA -1.626 54.690 56.287 0.048 0.000 0.958 40 K CB 0.927 33.407 32.500 -0.033 0.000 0.978 40 K HN 0.051 nan 8.250 nan 0.000 0.472 41 P HA 0.061 nan 4.420 nan 0.000 0.271 41 P C -0.804 176.394 177.300 -0.169 0.000 1.216 41 P CA -0.025 62.968 63.100 -0.179 0.000 0.771 41 P CB 0.510 32.081 31.700 -0.214 0.000 0.864 42 R N 3.328 123.725 120.500 -0.172 0.000 3.171 42 R HA 0.143 4.481 4.340 -0.003 0.000 0.241 42 R C 0.815 177.072 176.300 -0.071 0.000 1.421 42 R CA -0.189 55.853 56.100 -0.097 0.000 1.444 42 R CB -0.435 29.826 30.300 -0.065 0.000 1.247 42 R HN 0.295 nan 8.270 nan 0.000 0.636 43 V N 1.657 121.528 119.914 -0.072 0.000 2.568 43 V HA -0.263 3.856 4.120 -0.003 0.000 0.253 43 V C 1.357 177.534 176.094 0.138 0.000 1.072 43 V CA 1.821 64.122 62.300 0.001 0.000 1.084 43 V CB -0.274 31.473 31.823 -0.126 0.000 0.676 43 V HN 0.662 nan 8.190 nan 0.000 0.469 44 D N -0.631 119.812 120.400 0.072 0.000 2.249 44 D HA 0.022 4.660 4.640 -0.003 0.000 0.205 44 D C 2.110 178.451 176.300 0.069 0.000 0.962 44 D CA 0.715 54.762 54.000 0.078 0.000 0.860 44 D CB 0.400 41.227 40.800 0.046 0.000 0.955 44 D HN 0.395 nan 8.370 nan 0.000 0.505 45 I N 0.807 121.407 120.570 0.049 0.000 2.130 45 I HA -0.207 3.962 4.170 -0.003 0.000 0.234 45 I C 2.517 178.676 176.117 0.070 0.000 1.067 45 I CA 0.473 61.798 61.300 0.041 0.000 1.339 45 I CB -0.206 37.796 38.000 0.003 0.000 1.073 45 I HN -0.062 nan 8.210 nan 0.000 0.405 46 L N 1.325 122.587 121.223 0.065 0.000 1.980 46 L HA -0.380 3.959 4.340 -0.003 0.000 0.232 46 L C 2.689 179.644 176.870 0.142 0.000 1.092 46 L CA 2.407 57.312 54.840 0.109 0.000 0.808 46 L CB -0.613 41.535 42.059 0.148 0.000 0.908 46 L HN 0.179 nan 8.230 nan 0.000 0.442 47 K N -1.094 119.405 120.400 0.165 0.000 2.163 47 K HA -0.324 3.994 4.320 -0.003 0.000 0.210 47 K C 1.752 178.346 176.600 -0.010 0.000 1.048 47 K CA 1.875 58.125 56.287 -0.061 0.000 0.928 47 K CB -0.256 32.204 32.500 -0.067 0.000 0.716 47 K HN 0.531 nan 8.250 nan 0.000 0.459 48 A N 0.015 122.868 122.820 0.055 0.000 1.898 48 A HA -0.157 4.162 4.320 -0.003 0.000 0.214 48 A C 1.911 179.556 177.584 0.103 0.000 1.183 48 A CA 1.602 53.678 52.037 0.065 0.000 0.622 48 A CB -0.787 18.259 19.000 0.078 0.000 0.824 48 A HN 0.554 nan 8.150 nan 0.000 0.444 49 H N 0.235 119.319 119.070 0.024 0.000 2.267 49 H HA -0.104 4.451 4.556 -0.003 0.000 0.297 49 H C 1.683 177.012 175.328 0.002 0.000 1.080 49 H CA 2.194 58.260 56.048 0.030 0.000 1.278 49 H CB -0.456 29.328 29.762 0.036 0.000 1.365 49 H HN 0.308 nan 8.280 nan 0.000 0.489 50 L N -0.396 120.830 121.223 0.005 0.000 2.263 50 L HA -0.214 4.124 4.340 -0.003 0.000 0.216 50 L C 2.362 179.104 176.870 -0.212 0.000 1.111 50 L CA 1.403 56.127 54.840 -0.194 0.000 0.773 50 L CB -0.424 41.431 42.059 -0.340 0.000 0.906 50 L HN 0.403 nan 8.230 nan 0.000 0.439 51 M N -1.272 118.289 119.600 -0.066 0.000 2.561 51 M HA -0.032 4.446 4.480 -0.003 0.000 0.238 51 M C 1.226 177.603 176.300 0.127 0.000 1.131 51 M CA 0.896 56.181 55.300 -0.025 0.000 1.046 51 M CB 0.140 32.725 32.600 -0.025 0.000 1.532 51 M HN 0.138 nan 8.290 nan 0.000 0.497 52 K N 0.165 120.579 120.400 0.023 0.000 2.358 52 K HA 0.154 4.472 4.320 -0.003 0.000 0.200 52 K C 0.029 176.612 176.600 -0.028 0.000 1.030 52 K CA 0.056 56.354 56.287 0.017 0.000 1.097 52 K CB 0.687 33.180 32.500 -0.011 0.000 0.862 52 K HN 0.196 nan 8.250 nan 0.000 0.534 53 E N -0.834 119.352 120.200 -0.024 0.000 4.129 53 E HA -0.125 4.223 4.350 -0.003 0.000 0.354 53 E C 0.515 177.063 176.600 -0.087 0.000 0.673 53 E CA 0.363 56.767 56.400 0.007 0.000 1.347 53 E CB -1.590 28.149 29.700 0.066 0.000 1.722 53 E HN 0.524 nan 8.360 nan 0.000 0.410 54 G N 0.539 109.159 108.800 -0.299 0.000 2.732 54 G HA2 0.289 4.247 3.960 -0.003 0.000 0.244 54 G HA3 0.289 4.247 3.960 -0.003 0.000 0.244 54 G C 0.096 174.901 174.900 -0.157 0.000 1.226 54 G CA 0.090 44.900 45.100 -0.484 0.000 0.860 54 G HN 0.031 nan 8.290 nan 0.000 0.583 55 R N -1.530 119.001 120.500 0.051 0.000 2.867 55 R HA 0.593 4.931 4.340 -0.003 0.000 0.268 55 R C -0.646 175.811 176.300 0.261 0.000 1.014 55 R CA -0.824 55.392 56.100 0.193 0.000 0.946 55 R CB 1.735 32.011 30.300 -0.041 0.000 1.208 55 R HN 0.391 nan 8.270 nan 0.000 0.477 56 L N 0.703 122.099 121.223 0.287 0.000 2.325 56 L HA 0.470 4.809 4.340 -0.003 0.000 0.278 56 L C -0.002 176.982 176.870 0.190 0.000 1.023 56 L CA -0.941 53.994 54.840 0.159 0.000 0.811 56 L CB 1.430 43.567 42.059 0.130 0.000 1.249 56 L HN 0.444 nan 8.230 nan 0.000 0.431 57 E N 1.468 121.716 120.200 0.080 0.000 2.568 57 E HA -0.123 4.226 4.350 -0.003 0.000 0.262 57 E C 0.576 177.268 176.600 0.153 0.000 0.961 57 E CA 0.183 56.635 56.400 0.086 0.000 0.945 57 E CB 0.786 30.516 29.700 0.050 0.000 0.924 57 E HN 0.609 nan 8.360 nan 0.000 0.467 58 E N 1.872 122.177 120.200 0.175 0.000 2.113 58 E HA -0.326 4.022 4.350 -0.003 0.000 0.210 58 E C 1.980 178.642 176.600 0.104 0.000 1.040 58 E CA 2.279 58.792 56.400 0.190 0.000 0.847 58 E CB 0.022 29.810 29.700 0.148 0.000 0.755 58 E HN 0.626 nan 8.360 nan 0.000 0.459 59 S N 0.102 115.852 115.700 0.084 0.000 2.359 59 S HA -0.211 4.257 4.470 -0.003 0.000 0.223 59 S C 2.171 176.827 174.600 0.093 0.000 1.039 59 S CA 1.701 59.941 58.200 0.068 0.000 1.042 59 S CB -1.027 62.208 63.200 0.057 0.000 0.915 59 S HN 0.161 nan 8.310 nan 0.000 0.439 60 V N 3.325 123.311 119.914 0.121 0.000 2.233 60 V HA -0.296 3.822 4.120 -0.003 0.000 0.252 60 V C 3.121 179.325 176.094 0.184 0.000 1.063 60 V CA 2.107 64.519 62.300 0.187 0.000 1.032 60 V CB -1.778 30.133 31.823 0.146 0.000 0.645 60 V HN 0.702 nan 8.190 nan 0.000 0.446 61 A N -0.348 122.525 122.820 0.089 0.000 1.865 61 A HA -0.161 4.158 4.320 -0.003 0.000 0.217 61 A C 2.178 179.777 177.584 0.025 0.000 1.191 61 A CA 1.810 53.847 52.037 -0.000 0.000 0.623 61 A CB -0.641 18.233 19.000 -0.210 0.000 0.826 61 A HN 0.399 nan 8.150 nan 0.000 0.444 62 L N -0.242 120.991 121.223 0.017 0.000 2.187 62 L HA -0.159 4.180 4.340 -0.003 0.000 0.213 62 L C 2.506 179.416 176.870 0.068 0.000 1.100 62 L CA 2.096 56.951 54.840 0.024 0.000 0.765 62 L CB -1.197 40.873 42.059 0.019 0.000 0.904 62 L HN 0.583 nan 8.230 nan 0.000 0.437 63 R N -0.065 120.493 120.500 0.098 0.000 2.062 63 R HA -0.126 4.212 4.340 -0.003 0.000 0.231 63 R C 2.403 178.797 176.300 0.157 0.000 1.136 63 R CA 1.262 57.410 56.100 0.080 0.000 0.948 63 R CB -0.148 30.176 30.300 0.041 0.000 0.845 63 R HN 0.234 nan 8.270 nan 0.000 0.430 64 I N 0.967 121.716 120.570 0.298 0.000 2.151 64 I HA -0.336 3.832 4.170 -0.003 0.000 0.243 64 I C 2.304 178.622 176.117 0.335 0.000 1.080 64 I CA 1.544 63.053 61.300 0.349 0.000 1.339 64 I CB -0.287 37.884 38.000 0.284 0.000 1.039 64 I HN 0.275 nan 8.210 nan 0.000 0.409 65 I N 0.558 121.301 120.570 0.289 0.000 2.335 65 I HA -0.281 3.887 4.170 -0.003 0.000 0.251 65 I C 2.634 178.967 176.117 0.361 0.000 1.129 65 I CA 2.026 63.550 61.300 0.374 0.000 1.402 65 I CB -0.680 37.380 38.000 0.100 0.000 1.069 65 I HN 0.452 nan 8.210 nan 0.000 0.424 66 T N -2.841 111.832 114.554 0.199 0.000 3.031 66 T HA 0.035 4.383 4.350 -0.003 0.000 0.254 66 T C 1.599 176.356 174.700 0.096 0.000 1.060 66 T CA 0.285 62.465 62.100 0.133 0.000 1.135 66 T CB -0.131 68.779 68.868 0.071 0.000 0.896 66 T HN 0.333 nan 8.240 nan 0.000 0.472 67 E N 1.397 121.649 120.200 0.085 0.000 2.047 67 E HA -0.005 4.343 4.350 -0.003 0.000 0.191 67 E C 2.494 179.095 176.600 0.001 0.000 0.987 67 E CA 1.042 57.459 56.400 0.029 0.000 0.799 67 E CB -0.539 29.175 29.700 0.022 0.000 0.752 67 E HN 0.661 nan 8.360 nan 0.000 0.449 68 G N 0.876 109.668 108.800 -0.012 0.000 2.471 68 G HA2 -0.149 3.809 3.960 -0.003 0.000 0.219 68 G HA3 -0.149 3.809 3.960 -0.003 0.000 0.219 68 G C 1.591 176.354 174.900 -0.228 0.000 1.125 68 G CA 0.688 45.657 45.100 -0.219 0.000 0.775 68 G HN 0.307 nan 8.290 nan 0.000 0.548 69 A N 1.203 124.010 122.820 -0.022 0.000 2.016 69 A HA 0.098 4.416 4.320 -0.003 0.000 0.217 69 A C 2.682 180.305 177.584 0.065 0.000 1.162 69 A CA 1.947 54.030 52.037 0.077 0.000 0.662 69 A CB -0.441 18.690 19.000 0.219 0.000 0.812 69 A HN 0.565 nan 8.150 nan 0.000 0.450 70 S N 0.532 116.255 115.700 0.039 0.000 2.368 70 S HA -0.108 4.361 4.470 -0.003 0.000 0.224 70 S C 1.835 176.450 174.600 0.024 0.000 1.029 70 S CA 1.338 59.559 58.200 0.036 0.000 0.988 70 S CB -0.799 62.410 63.200 0.015 0.000 0.838 70 S HN 0.473 nan 8.310 nan 0.000 0.462 71 I N 1.455 122.014 120.570 -0.017 0.000 2.286 71 I HA -0.126 4.042 4.170 -0.003 0.000 0.248 71 I C 2.462 178.576 176.117 -0.005 0.000 1.115 71 I CA 1.101 62.384 61.300 -0.027 0.000 1.392 71 I CB -0.437 37.514 38.000 -0.082 0.000 1.065 71 I HN 0.272 nan 8.210 nan 0.000 0.418 72 L N 0.163 121.373 121.223 -0.020 0.000 2.072 72 L HA -0.148 4.190 4.340 -0.003 0.000 0.205 72 L C 2.773 179.712 176.870 0.116 0.000 1.079 72 L CA 1.135 55.981 54.840 0.011 0.000 0.752 72 L CB -0.433 41.608 42.059 -0.029 0.000 0.906 72 L HN 0.193 nan 8.230 nan 0.000 0.436 73 R N -0.135 120.479 120.500 0.189 0.000 2.148 73 R HA -0.154 4.184 4.340 -0.003 0.000 0.227 73 R C 2.178 178.650 176.300 0.286 0.000 1.103 73 R CA 1.119 57.450 56.100 0.385 0.000 0.983 73 R CB 0.084 30.549 30.300 0.275 0.000 0.874 73 R HN 0.488 nan 8.270 nan 0.000 0.451 74 Q N -0.170 119.721 119.800 0.151 0.000 2.245 74 Q HA -0.036 4.302 4.340 -0.003 0.000 0.201 74 Q C -0.097 175.973 176.000 0.117 0.000 0.955 74 Q CA 0.632 56.500 55.803 0.108 0.000 0.870 74 Q CB 0.229 29.005 28.738 0.063 0.000 0.945 74 Q HN 0.397 nan 8.270 nan 0.000 0.461 75 E N 1.571 121.842 120.200 0.119 0.000 2.390 75 E HA 0.112 4.460 4.350 -0.003 0.000 0.261 75 E C -0.521 176.141 176.600 0.104 0.000 1.076 75 E CA -0.144 56.320 56.400 0.107 0.000 0.905 75 E CB 0.674 30.439 29.700 0.109 0.000 0.984 75 E HN 0.033 nan 8.360 nan 0.000 0.427 76 K N 1.835 122.279 120.400 0.075 0.000 2.258 76 K HA 0.030 4.349 4.320 -0.003 0.000 0.264 76 K C 0.740 177.361 176.600 0.035 0.000 1.007 76 K CA -0.376 55.948 56.287 0.061 0.000 0.941 76 K CB 0.390 32.913 32.500 0.038 0.000 0.966 76 K HN 0.340 nan 8.250 nan 0.000 0.480 77 N N 0.754 119.476 118.700 0.035 0.000 2.037 77 N HA -0.183 4.556 4.740 -0.003 0.000 0.196 77 N C 0.027 175.537 175.510 0.000 0.000 1.034 77 N CA 1.248 54.300 53.050 0.004 0.000 0.861 77 N CB -0.132 38.368 38.487 0.022 0.000 1.039 77 N HN 0.322 nan 8.380 nan 0.000 0.427 78 L N 1.236 122.464 121.223 0.009 0.000 2.276 78 L HA 0.343 4.681 4.340 -0.003 0.000 0.286 78 L C -0.795 176.059 176.870 -0.026 0.000 1.024 78 L CA -0.360 54.480 54.840 -0.001 0.000 0.826 78 L CB 0.730 42.799 42.059 0.016 0.000 1.211 78 L HN 0.014 nan 8.230 nan 0.000 0.422 79 L N 3.623 124.807 121.223 -0.064 0.000 2.476 79 L HA 0.312 4.650 4.340 -0.003 0.000 0.255 79 L C -0.117 176.666 176.870 -0.144 0.000 1.218 79 L CA 0.103 54.857 54.840 -0.144 0.000 0.819 79 L CB 0.267 42.153 42.059 -0.289 0.000 1.119 79 L HN 0.475 nan 8.230 nan 0.000 0.485 80 D N 1.610 121.896 120.400 -0.190 0.000 2.473 80 D HA 0.463 5.102 4.640 -0.003 0.000 0.253 80 D C -0.893 175.299 176.300 -0.180 0.000 1.233 80 D CA -0.073 53.852 54.000 -0.124 0.000 0.908 80 D CB 1.557 42.321 40.800 -0.059 0.000 1.170 80 D HN 0.243 nan 8.370 nan 0.000 0.558 81 I N 1.451 121.926 120.570 -0.159 0.000 2.389 81 I HA 0.240 4.409 4.170 -0.003 0.000 0.288 81 I C 0.013 176.144 176.117 0.024 0.000 0.999 81 I CA -0.819 60.409 61.300 -0.120 0.000 1.129 81 I CB 2.114 39.985 38.000 -0.215 0.000 1.288 81 I HN -0.035 nan 8.210 nan 0.000 0.444 82 D N 5.454 125.888 120.400 0.055 0.000 2.210 82 D HA 0.410 5.049 4.640 -0.003 0.000 0.249 82 D C 0.157 176.493 176.300 0.060 0.000 1.078 82 D CA -0.166 53.871 54.000 0.061 0.000 0.875 82 D CB 2.239 43.064 40.800 0.041 0.000 1.175 82 D HN 0.606 nan 8.370 nan 0.000 0.440 83 A N 3.235 126.080 122.820 0.042 0.000 2.448 83 A HA 0.319 4.637 4.320 -0.003 0.000 0.239 83 A C -2.154 175.375 177.584 -0.092 0.000 1.080 83 A CA -0.812 51.184 52.037 -0.067 0.000 0.779 83 A CB -0.322 18.493 19.000 -0.310 0.000 1.026 83 A HN 0.325 nan 8.150 nan 0.000 0.499 84 P HA 0.405 nan 4.420 nan 0.000 0.276 84 P C -1.050 176.186 177.300 -0.106 0.000 1.253 84 P CA 0.085 63.086 63.100 -0.165 0.000 0.766 84 P CB 0.898 32.508 31.700 -0.151 0.000 0.845 85 V N 3.373 123.241 119.914 -0.077 0.000 2.914 85 V HA 0.494 4.612 4.120 -0.003 0.000 0.314 85 V C -0.043 175.997 176.094 -0.090 0.000 1.084 85 V CA -0.473 61.800 62.300 -0.045 0.000 0.963 85 V CB 2.625 34.490 31.823 0.069 0.000 1.025 85 V HN 0.359 nan 8.190 nan 0.000 0.432 86 T N 2.570 117.008 114.554 -0.192 0.000 2.809 86 T HA 0.504 4.852 4.350 -0.003 0.000 0.296 86 T C -0.393 174.248 174.700 -0.099 0.000 1.015 86 T CA -0.296 61.669 62.100 -0.224 0.000 0.954 86 T CB 1.200 69.766 68.868 -0.502 0.000 0.950 86 T HN 0.354 nan 8.240 nan 0.000 0.450 87 V N 3.173 123.044 119.914 -0.072 0.000 2.509 87 V HA 0.413 4.531 4.120 -0.003 0.000 0.284 87 V C 0.284 176.298 176.094 -0.133 0.000 1.047 87 V CA -0.622 61.640 62.300 -0.063 0.000 0.952 87 V CB 0.921 32.709 31.823 -0.059 0.000 0.988 87 V HN 1.012 nan 8.190 nan 0.000 0.469 88 C N 3.238 122.410 119.300 -0.213 0.000 2.614 88 C HA 0.911 5.369 4.460 -0.003 0.000 0.320 88 C C 0.947 175.859 174.990 -0.131 0.000 1.200 88 C CA -0.523 58.319 59.018 -0.293 0.000 1.700 88 C CB 1.204 28.473 27.740 -0.786 0.000 2.275 88 C HN 1.050 nan 8.230 nan 0.000 0.492 89 G N 0.180 108.911 108.800 -0.116 0.000 2.828 89 G HA2 0.532 4.490 3.960 -0.003 0.000 0.244 89 G HA3 0.532 4.490 3.960 -0.003 0.000 0.244 89 G C -1.048 173.746 174.900 -0.177 0.000 1.365 89 G CA -0.322 44.713 45.100 -0.108 0.000 1.041 89 G HN 0.735 nan 8.290 nan 0.000 0.560 90 D N -0.327 119.870 120.400 -0.340 0.000 2.548 90 D HA 0.039 4.677 4.640 -0.003 0.000 0.231 90 D C 0.975 176.981 176.300 -0.490 0.000 1.142 90 D CA 0.070 53.764 54.000 -0.510 0.000 0.866 90 D CB 1.238 41.599 40.800 -0.732 0.000 1.190 90 D HN 0.024 nan 8.370 nan 0.000 0.469 91 I N 0.211 120.592 120.570 -0.315 0.000 4.032 91 I HA -0.038 4.130 4.170 -0.003 0.000 0.313 91 I C 0.313 176.392 176.117 -0.063 0.000 1.272 91 I CA 0.084 61.322 61.300 -0.104 0.000 1.307 91 I CB -0.709 37.382 38.000 0.151 0.000 1.155 91 I HN 0.557 nan 8.210 nan 0.000 0.431 92 H N 1.585 120.570 119.070 -0.141 0.000 2.415 92 H HA -0.202 4.352 4.556 -0.003 0.000 0.323 92 H C 1.531 176.834 175.328 -0.041 0.000 1.035 92 H CA 0.227 56.182 56.048 -0.155 0.000 1.098 92 H CB -1.049 28.599 29.762 -0.190 0.000 1.575 92 H HN 0.624 nan 8.280 nan 0.000 0.387 93 G N 0.378 109.270 108.800 0.155 0.000 2.228 93 G HA2 -0.411 3.547 3.960 -0.003 0.000 0.270 93 G HA3 -0.411 3.547 3.960 -0.003 0.000 0.270 93 G C 0.456 175.576 174.900 0.367 0.000 0.976 93 G CA 0.587 45.830 45.100 0.237 0.000 0.636 93 G HN 0.644 nan 8.290 nan 0.000 0.542 94 Q N 0.002 119.975 119.800 0.287 0.000 2.962 94 Q HA 0.419 4.757 4.340 -0.003 0.000 0.251 94 Q C 1.213 177.445 176.000 0.386 0.000 1.380 94 Q CA -0.527 55.480 55.803 0.341 0.000 0.926 94 Q CB -0.210 28.647 28.738 0.198 0.000 1.704 94 Q HN 0.466 nan 8.270 nan 0.000 0.563 95 F N 0.859 121.020 119.950 0.353 0.000 2.115 95 F HA -0.257 4.268 4.527 -0.003 0.000 0.300 95 F C 0.966 176.750 175.800 -0.027 0.000 1.092 95 F CA 1.565 59.632 58.000 0.112 0.000 1.245 95 F CB 0.098 39.070 39.000 -0.048 0.000 0.995 95 F HN 0.373 nan 8.300 nan 0.000 0.481 96 F N -0.098 119.855 119.950 0.005 0.000 2.802 96 F HA -0.019 4.507 4.527 -0.003 0.000 0.300 96 F C 1.947 177.743 175.800 -0.006 0.000 1.168 96 F CA 0.570 58.534 58.000 -0.059 0.000 1.433 96 F CB -0.616 38.401 39.000 0.028 0.000 1.115 96 F HN 0.045 nan 8.300 nan 0.000 0.582 97 D N -0.718 119.788 120.400 0.177 0.000 2.379 97 D HA 0.051 4.689 4.640 -0.003 0.000 0.208 97 D C 2.046 178.431 176.300 0.141 0.000 1.065 97 D CA 0.289 54.395 54.000 0.176 0.000 0.848 97 D CB 0.475 41.359 40.800 0.140 0.000 0.949 97 D HN 0.279 nan 8.370 nan 0.000 0.509 98 L N 0.596 121.793 121.223 -0.042 0.000 2.168 98 L HA 0.043 4.381 4.340 -0.003 0.000 0.203 98 L C 2.004 178.723 176.870 -0.253 0.000 1.078 98 L CA 0.915 55.637 54.840 -0.197 0.000 0.780 98 L CB -0.157 41.774 42.059 -0.213 0.000 0.939 98 L HN -0.179 nan 8.230 nan 0.000 0.451 99 M N -0.354 119.085 119.600 -0.268 0.000 2.267 99 M HA -0.190 4.288 4.480 -0.003 0.000 0.263 99 M C 2.149 178.448 176.300 -0.000 0.000 1.063 99 M CA 1.446 56.657 55.300 -0.149 0.000 1.090 99 M CB -0.979 31.424 32.600 -0.328 0.000 1.392 99 M HN 0.217 nan 8.290 nan 0.000 0.422 100 K N 0.904 121.306 120.400 0.004 0.000 2.166 100 K HA 0.043 4.362 4.320 -0.003 0.000 0.201 100 K C 1.822 178.345 176.600 -0.127 0.000 1.052 100 K CA 0.456 56.769 56.287 0.043 0.000 0.969 100 K CB -0.410 32.206 32.500 0.194 0.000 0.761 100 K HN 0.288 nan 8.250 nan 0.000 0.459 101 L N -0.063 121.003 121.223 -0.262 0.000 2.127 101 L HA -0.098 4.241 4.340 -0.003 0.000 0.211 101 L C 1.335 177.957 176.870 -0.412 0.000 1.089 101 L CA 1.337 55.780 54.840 -0.662 0.000 0.757 101 L CB -0.194 41.536 42.059 -0.549 0.000 0.899 101 L HN 0.103 nan 8.230 nan 0.000 0.434 102 F N 0.274 120.157 119.950 -0.112 0.000 2.367 102 F HA -0.079 4.446 4.527 -0.003 0.000 0.298 102 F C 2.540 178.328 175.800 -0.020 0.000 1.094 102 F CA 1.269 59.250 58.000 -0.032 0.000 1.409 102 F CB -0.440 38.556 39.000 -0.008 0.000 1.064 102 F HN 0.240 nan 8.300 nan 0.000 0.528 103 E N 0.058 120.326 120.200 0.112 0.000 2.285 103 E HA -0.088 4.260 4.350 -0.003 0.000 0.194 103 E C 1.883 178.486 176.600 0.004 0.000 0.997 103 E CA 0.774 57.210 56.400 0.061 0.000 0.845 103 E CB 0.193 29.918 29.700 0.042 0.000 0.782 103 E HN 0.217 nan 8.360 nan 0.000 0.491 104 V N -0.216 119.651 119.914 -0.078 0.000 2.492 104 V HA 0.038 4.156 4.120 -0.003 0.000 0.241 104 V C 2.266 178.302 176.094 -0.097 0.000 1.041 104 V CA 1.489 63.707 62.300 -0.136 0.000 1.057 104 V CB -0.133 31.487 31.823 -0.339 0.000 0.711 104 V HN 0.417 nan 8.190 nan 0.000 0.468 105 G N -0.445 108.320 108.800 -0.058 0.000 2.744 105 G HA2 0.392 4.350 3.960 -0.003 0.000 0.211 105 G HA3 0.392 4.350 3.960 -0.003 0.000 0.211 105 G C 0.817 175.754 174.900 0.061 0.000 1.143 105 G CA 0.738 45.850 45.100 0.020 0.000 0.788 105 G HN 1.059 nan 8.290 nan 0.000 0.534 106 G N -0.865 108.004 108.800 0.115 0.000 2.692 106 G HA2 0.107 4.065 3.960 -0.003 0.000 0.686 106 G HA3 0.107 4.065 3.960 -0.003 0.000 0.686 106 G C -0.040 174.962 174.900 0.170 0.000 1.243 106 G CA -0.124 45.026 45.100 0.083 0.000 0.782 106 G HN 0.957 nan 8.290 nan 0.000 0.625 107 S N 1.809 117.554 115.700 0.074 0.000 2.575 107 S HA 0.369 4.838 4.470 -0.003 0.000 0.295 107 S C -0.112 174.493 174.600 0.009 0.000 1.267 107 S CA 0.071 58.288 58.200 0.029 0.000 1.074 107 S CB 0.733 63.921 63.200 -0.020 0.000 0.829 107 S HN 0.624 nan 8.310 nan 0.000 0.497 108 P HA 0.146 nan 4.420 nan 0.000 0.253 108 P C 0.573 177.464 177.300 -0.683 0.000 1.281 108 P CA 0.225 63.263 63.100 -0.104 0.000 0.792 108 P CB -0.103 31.531 31.700 -0.109 0.000 1.193 109 A N 0.315 122.827 122.820 -0.513 0.000 1.975 109 A HA -0.016 4.303 4.320 -0.003 0.000 0.215 109 A C 1.913 179.300 177.584 -0.328 0.000 1.170 109 A CA 0.794 52.505 52.037 -0.543 0.000 0.656 109 A CB -0.601 18.319 19.000 -0.132 0.000 0.821 109 A HN 0.162 nan 8.150 nan 0.000 0.449 110 N N 0.220 118.790 118.700 -0.216 0.000 2.365 110 N HA 0.090 4.829 4.740 -0.003 0.000 0.257 110 N C -1.335 174.089 175.510 -0.142 0.000 1.287 110 N CA 0.298 53.262 53.050 -0.144 0.000 0.882 110 N CB 0.676 39.108 38.487 -0.090 0.000 1.250 110 N HN 0.251 nan 8.380 nan 0.000 0.507 111 T N -0.027 114.423 114.554 -0.173 0.000 2.993 111 T HA 0.388 4.737 4.350 -0.003 0.000 0.312 111 T C -0.347 174.228 174.700 -0.208 0.000 1.115 111 T CA -0.631 61.344 62.100 -0.209 0.000 1.027 111 T CB 2.107 70.796 68.868 -0.298 0.000 1.116 111 T HN -0.011 nan 8.240 nan 0.000 0.464 112 R N 1.974 122.363 120.500 -0.187 0.000 2.248 112 R HA 0.429 4.768 4.340 -0.003 0.000 0.328 112 R C -0.878 175.361 176.300 -0.101 0.000 1.067 112 R CA -0.315 55.749 56.100 -0.060 0.000 0.924 112 R CB 0.483 30.801 30.300 0.030 0.000 1.013 112 R HN 0.574 nan 8.270 nan 0.000 0.454 113 Y N 1.862 122.238 120.300 0.126 0.000 2.596 113 Y HA 0.527 5.075 4.550 -0.003 0.000 0.326 113 Y C -0.148 175.940 175.900 0.312 0.000 1.167 113 Y CA -0.896 57.316 58.100 0.187 0.000 1.246 113 Y CB 1.288 39.941 38.460 0.321 0.000 1.347 113 Y HN 0.348 nan 8.280 nan 0.000 0.515 114 L N 1.450 122.979 121.223 0.511 0.000 2.949 114 L HA 0.419 4.758 4.340 -0.003 0.000 0.258 114 L C -2.436 174.635 176.870 0.335 0.000 0.941 114 L CA -0.468 54.646 54.840 0.456 0.000 1.053 114 L CB 0.248 42.473 42.059 0.276 0.000 1.550 114 L HN 0.308 nan 8.230 nan 0.000 0.493 115 F N 5.138 125.229 119.950 0.234 0.000 2.408 115 F HA 0.473 4.998 4.527 -0.003 0.000 0.344 115 F C 1.094 177.033 175.800 0.231 0.000 1.112 115 F CA -0.637 57.506 58.000 0.237 0.000 1.096 115 F CB 1.532 40.715 39.000 0.305 0.000 1.129 115 F HN 0.387 nan 8.300 nan 0.000 0.486 116 L N 3.266 124.656 121.223 0.279 0.000 2.627 116 L HA 0.318 4.656 4.340 -0.003 0.000 0.232 116 L C 0.898 177.893 176.870 0.209 0.000 1.150 116 L CA 0.142 55.104 54.840 0.204 0.000 0.917 116 L CB -1.108 41.016 42.059 0.107 0.000 1.104 116 L HN 0.920 nan 8.230 nan 0.000 0.445 117 G N -0.545 108.302 108.800 0.079 0.000 2.612 117 G HA2 -0.118 3.840 3.960 -0.003 0.000 0.686 117 G HA3 -0.118 3.840 3.960 -0.003 0.000 0.686 117 G C -0.700 173.772 174.900 -0.712 0.000 1.274 117 G CA -0.739 44.057 45.100 -0.506 0.000 0.849 117 G HN 0.183 nan 8.290 nan 0.000 0.595 118 D N -1.414 118.368 120.400 -1.030 0.000 3.061 118 D HA -0.138 4.500 4.640 -0.003 0.000 0.252 118 D C 0.536 176.391 176.300 -0.742 0.000 1.080 118 D CA 1.528 55.068 54.000 -0.767 0.000 0.871 118 D CB -1.290 39.167 40.800 -0.573 0.000 1.018 118 D HN 0.709 nan 8.370 nan 0.000 0.425 119 Y N -1.491 118.654 120.300 -0.260 0.000 2.462 119 Y HA 0.226 4.774 4.550 -0.003 0.000 0.261 119 Y C 1.487 177.262 175.900 -0.209 0.000 1.146 119 Y CA -0.123 57.861 58.100 -0.193 0.000 1.283 119 Y CB 0.337 38.699 38.460 -0.162 0.000 1.090 119 Y HN 0.208 nan 8.280 nan 0.000 0.526 120 V N -3.752 116.049 119.914 -0.189 0.000 3.126 120 V HA 0.673 4.791 4.120 -0.003 0.000 0.314 120 V C -0.804 175.244 176.094 -0.076 0.000 1.138 120 V CA -1.480 60.652 62.300 -0.280 0.000 1.034 120 V CB 2.022 33.362 31.823 -0.805 0.000 1.075 120 V HN 0.098 nan 8.190 nan 0.000 0.442 121 D N 0.668 121.065 120.400 -0.005 0.000 10.890 121 D HA -0.095 4.543 4.640 -0.003 0.000 0.359 121 D C 0.801 176.979 176.300 -0.203 0.000 3.118 121 D CA 0.818 54.837 54.000 0.030 0.000 2.613 121 D CB -0.208 40.647 40.800 0.091 0.000 1.178 121 D HN 1.021 nan 8.370 nan 0.000 0.941 122 R N -1.787 118.503 120.500 -0.351 0.000 1.186 122 R HA -0.156 4.183 4.340 -0.003 0.000 0.013 122 R C 1.104 177.145 176.300 -0.433 0.000 0.961 122 R CA 2.226 58.026 56.100 -0.500 0.000 1.987 122 R CB -2.152 27.688 30.300 -0.767 0.000 0.120 122 R HN 0.800 nan 8.270 nan 0.000 0.732 123 G N -0.235 108.422 108.800 -0.238 0.000 2.539 123 G HA2 0.365 4.323 3.960 -0.003 0.000 0.258 123 G HA3 0.365 4.323 3.960 -0.003 0.000 0.258 123 G C -0.080 174.667 174.900 -0.255 0.000 1.202 123 G CA -0.188 44.766 45.100 -0.243 0.000 0.851 123 G HN 0.275 nan 8.290 nan 0.000 0.556 124 Y N -0.005 120.066 120.300 -0.381 0.000 2.532 124 Y HA 0.303 4.852 4.550 -0.003 0.000 0.283 124 Y C 0.564 176.085 175.900 -0.632 0.000 1.181 124 Y CA -1.008 56.731 58.100 -0.601 0.000 1.256 124 Y CB 0.027 37.848 38.460 -1.064 0.000 1.112 124 Y HN 0.414 nan 8.280 nan 0.000 0.521 125 F N -2.429 117.705 119.950 0.308 0.000 2.814 125 F HA 0.230 4.755 4.527 -0.003 0.000 0.326 125 F C 1.690 177.664 175.800 0.291 0.000 1.159 125 F CA -0.332 57.860 58.000 0.319 0.000 1.234 125 F CB -0.049 39.181 39.000 0.383 0.000 1.016 125 F HN -0.213 nan 8.300 nan 0.000 0.510 126 S N 0.594 116.537 115.700 0.405 0.000 2.392 126 S HA -0.231 4.238 4.470 -0.003 0.000 0.232 126 S C 2.159 177.007 174.600 0.414 0.000 1.041 126 S CA 1.543 59.932 58.200 0.314 0.000 1.026 126 S CB -0.219 63.102 63.200 0.202 0.000 0.845 126 S HN 0.438 nan 8.310 nan 0.000 0.465 127 I N 1.599 122.522 120.570 0.589 0.000 2.286 127 I HA -0.083 4.085 4.170 -0.003 0.000 0.245 127 I C 2.010 178.251 176.117 0.207 0.000 1.104 127 I CA 1.305 62.873 61.300 0.447 0.000 1.397 127 I CB -0.363 37.784 38.000 0.245 0.000 1.072 127 I HN 0.050 nan 8.210 nan 0.000 0.417 128 E N -0.019 120.270 120.200 0.147 0.000 2.033 128 E HA -0.269 4.079 4.350 -0.003 0.000 0.199 128 E C 2.390 179.089 176.600 0.164 0.000 1.011 128 E CA 2.122 58.451 56.400 -0.119 0.000 0.815 128 E CB -0.811 28.445 29.700 -0.741 0.000 0.755 128 E HN 0.554 nan 8.360 nan 0.000 0.451 129 C N -0.315 119.227 119.300 0.405 0.000 2.359 129 C HA -0.210 4.248 4.460 -0.003 0.000 0.277 129 C C 2.661 177.805 174.990 0.257 0.000 1.192 129 C CA 1.096 60.390 59.018 0.460 0.000 1.759 129 C CB -1.071 26.865 27.740 0.325 0.000 2.038 129 C HN 0.266 nan 8.230 nan 0.000 0.448 130 V N 0.889 120.864 119.914 0.101 0.000 2.231 130 V HA -0.288 3.830 4.120 -0.003 0.000 0.248 130 V C 2.270 178.342 176.094 -0.037 0.000 1.054 130 V CA 2.465 64.686 62.300 -0.132 0.000 1.015 130 V CB -0.856 30.851 31.823 -0.194 0.000 0.638 130 V HN 0.534 nan 8.190 nan 0.000 0.444 131 L N -1.543 119.704 121.223 0.039 0.000 1.990 131 L HA -0.264 4.074 4.340 -0.003 0.000 0.213 131 L C 2.450 179.461 176.870 0.235 0.000 1.072 131 L CA 2.355 57.255 54.840 0.100 0.000 0.755 131 L CB -0.867 41.224 42.059 0.053 0.000 0.889 131 L HN 0.345 nan 8.230 nan 0.000 0.432 132 Y N 0.272 120.656 120.300 0.140 0.000 2.114 132 Y HA -0.227 4.321 4.550 -0.003 0.000 0.284 132 Y C 2.360 178.324 175.900 0.107 0.000 1.143 132 Y CA 1.479 59.668 58.100 0.148 0.000 1.135 132 Y CB -0.324 38.310 38.460 0.291 0.000 0.980 132 Y HN -0.010 nan 8.280 nan 0.000 0.499 133 L N -1.725 119.599 121.223 0.169 0.000 2.131 133 L HA -0.294 4.044 4.340 -0.003 0.000 0.210 133 L C 2.474 179.400 176.870 0.093 0.000 1.092 133 L CA 1.267 56.094 54.840 -0.021 0.000 0.759 133 L CB -0.688 41.282 42.059 -0.147 0.000 0.903 133 L HN 0.450 nan 8.230 nan 0.000 0.435 134 W N -0.055 121.153 121.300 -0.152 0.000 2.418 134 W HA -0.119 4.539 4.660 -0.003 0.000 0.292 134 W C 2.572 179.028 176.519 -0.104 0.000 1.213 134 W CA 0.629 57.917 57.345 -0.096 0.000 1.283 134 W CB 0.067 29.523 29.460 -0.007 0.000 1.119 134 W HN 0.153 nan 8.180 nan 0.000 0.542 135 A N 0.122 122.997 122.820 0.091 0.000 1.969 135 A HA -0.141 4.178 4.320 -0.003 0.000 0.218 135 A C 1.884 179.349 177.584 -0.198 0.000 1.169 135 A CA 1.043 53.048 52.037 -0.052 0.000 0.635 135 A CB -0.890 18.056 19.000 -0.091 0.000 0.810 135 A HN 0.283 nan 8.150 nan 0.000 0.445 136 L N -1.151 119.910 121.223 -0.270 0.000 2.313 136 L HA -0.038 4.300 4.340 -0.003 0.000 0.214 136 L C 2.366 179.114 176.870 -0.204 0.000 1.119 136 L CA 1.166 55.829 54.840 -0.295 0.000 0.809 136 L CB -0.050 41.787 42.059 -0.370 0.000 0.933 136 L HN 0.299 nan 8.230 nan 0.000 0.449 137 K N 0.811 121.072 120.400 -0.231 0.000 2.228 137 K HA -0.048 4.270 4.320 -0.003 0.000 0.202 137 K C 1.751 178.222 176.600 -0.215 0.000 1.051 137 K CA 1.309 57.444 56.287 -0.254 0.000 0.960 137 K CB -0.107 32.154 32.500 -0.398 0.000 0.743 137 K HN 0.176 nan 8.250 nan 0.000 0.458 138 I N 0.057 120.511 120.570 -0.194 0.000 2.233 138 I HA -0.203 3.966 4.170 -0.003 0.000 0.243 138 I C 1.939 177.941 176.117 -0.192 0.000 1.093 138 I CA 0.618 61.832 61.300 -0.143 0.000 1.380 138 I CB -0.160 37.808 38.000 -0.054 0.000 1.067 138 I HN 0.136 nan 8.210 nan 0.000 0.413 139 L N -0.006 121.026 121.223 -0.317 0.000 2.141 139 L HA -0.138 4.201 4.340 -0.003 0.000 0.209 139 L C 0.054 176.538 176.870 -0.644 0.000 1.094 139 L CA 1.871 56.371 54.840 -0.567 0.000 0.763 139 L CB -0.202 41.322 42.059 -0.892 0.000 0.908 139 L HN 0.200 nan 8.230 nan 0.000 0.437 140 Y N -0.866 119.347 120.300 -0.145 0.000 2.535 140 Y HA 0.366 4.914 4.550 -0.003 0.000 0.351 140 Y C -1.765 174.010 175.900 -0.208 0.000 1.050 140 Y CA -2.442 55.567 58.100 -0.151 0.000 1.168 140 Y CB -0.016 38.356 38.460 -0.146 0.000 1.116 140 Y HN 0.035 nan 8.280 nan 0.000 0.654 141 P HA -0.141 nan 4.420 nan 0.000 0.226 141 P C 1.024 178.197 177.300 -0.212 0.000 1.153 141 P CA 1.200 64.211 63.100 -0.150 0.000 0.777 141 P CB 0.628 32.270 31.700 -0.097 0.000 0.794 142 K N 0.083 120.394 120.400 -0.149 0.000 2.372 142 K HA 0.067 4.386 4.320 -0.003 0.000 0.200 142 K C 1.386 177.854 176.600 -0.221 0.000 1.022 142 K CA 0.613 56.828 56.287 -0.119 0.000 1.125 142 K CB 0.296 32.800 32.500 0.008 0.000 0.855 142 K HN 0.129 nan 8.250 nan 0.000 0.524 143 T N -2.485 111.845 114.554 -0.373 0.000 3.221 143 T HA 0.166 4.514 4.350 -0.003 0.000 0.250 143 T C 0.522 174.937 174.700 -0.477 0.000 0.988 143 T CA -0.445 61.482 62.100 -0.288 0.000 1.163 143 T CB -0.273 68.519 68.868 -0.126 0.000 1.098 143 T HN 0.068 nan 8.240 nan 0.000 0.422 144 L N 2.108 123.123 121.223 -0.346 0.000 2.410 144 L HA 0.516 4.855 4.340 -0.003 0.000 0.273 144 L C -1.471 175.158 176.870 -0.402 0.000 1.144 144 L CA -0.641 54.108 54.840 -0.151 0.000 0.863 144 L CB 0.155 42.195 42.059 -0.032 0.000 1.140 144 L HN 0.291 nan 8.230 nan 0.000 0.463 145 F N 5.112 125.179 119.950 0.195 0.000 2.529 145 F HA 0.536 5.061 4.527 -0.003 0.000 0.320 145 F C -0.556 175.344 175.800 0.166 0.000 1.118 145 F CA -0.565 57.511 58.000 0.127 0.000 0.915 145 F CB 1.767 40.846 39.000 0.131 0.000 1.161 145 F HN 0.195 nan 8.300 nan 0.000 0.445 146 L N 4.065 125.430 121.223 0.237 0.000 2.346 146 L HA 0.651 4.989 4.340 -0.003 0.000 0.274 146 L C -0.465 176.539 176.870 0.224 0.000 1.007 146 L CA -0.299 54.660 54.840 0.199 0.000 0.818 146 L CB 1.664 43.681 42.059 -0.071 0.000 1.284 146 L HN 0.532 nan 8.230 nan 0.000 0.424 147 L N 1.086 122.481 121.223 0.287 0.000 2.391 147 L HA 0.640 4.978 4.340 -0.003 0.000 0.266 147 L C -0.152 176.775 176.870 0.096 0.000 1.035 147 L CA -1.065 53.870 54.840 0.159 0.000 0.877 147 L CB 1.797 43.934 42.059 0.130 0.000 1.504 147 L HN 0.561 nan 8.230 nan 0.000 0.503 148 R N -0.452 120.042 120.500 -0.011 0.000 2.346 148 R HA 0.563 4.901 4.340 -0.003 0.000 0.311 148 R C -0.576 175.552 176.300 -0.286 0.000 0.983 148 R CA -0.284 55.743 56.100 -0.122 0.000 0.880 148 R CB 1.536 31.790 30.300 -0.077 0.000 1.100 148 R HN 0.746 nan 8.270 nan 0.000 0.453 149 G N 1.854 110.343 108.800 -0.519 0.000 2.473 149 G HA2 0.127 4.085 3.960 -0.003 0.000 0.321 149 G HA3 0.127 4.085 3.960 -0.003 0.000 0.321 149 G C -0.113 174.404 174.900 -0.639 0.000 1.200 149 G CA -0.917 43.572 45.100 -1.019 0.000 0.963 149 G HN 0.809 nan 8.290 nan 0.000 0.483 150 N N -0.019 118.256 118.700 -0.709 0.000 2.184 150 N HA -0.189 4.549 4.740 -0.003 0.000 0.190 150 N C 1.382 176.770 175.510 -0.203 0.000 1.011 150 N CA 1.378 54.167 53.050 -0.436 0.000 0.867 150 N CB -0.120 37.851 38.487 -0.860 0.000 0.993 150 N HN 0.558 nan 8.380 nan 0.000 0.433 151 H N -0.206 118.780 119.070 -0.140 0.000 2.547 151 H HA 0.126 4.680 4.556 -0.003 0.000 0.266 151 H C 0.024 175.393 175.328 0.067 0.000 0.988 151 H CA 0.489 56.561 56.048 0.040 0.000 1.147 151 H CB 0.265 30.030 29.762 0.006 0.000 1.365 151 H HN 0.264 nan 8.280 nan 0.000 0.589 152 E N 1.339 121.556 120.200 0.029 0.000 2.201 152 E HA 0.170 4.518 4.350 -0.003 0.000 0.272 152 E C -0.614 176.230 176.600 0.406 0.000 1.228 152 E CA -0.219 56.257 56.400 0.125 0.000 1.305 152 E CB -0.086 29.388 29.700 -0.377 0.000 1.381 152 E HN 0.376 nan 8.360 nan 0.000 0.475 153 C N -1.481 118.083 119.300 0.440 0.000 3.292 153 C HA 0.403 4.861 4.460 -0.003 0.000 0.368 153 C C 1.366 176.552 174.990 0.327 0.000 1.141 153 C CA -1.199 58.021 59.018 0.337 0.000 1.194 153 C CB 1.355 29.260 27.740 0.276 0.000 1.533 153 C HN 0.581 nan 8.230 nan 0.000 0.532 154 R N 0.518 121.173 120.500 0.258 0.000 2.143 154 R HA -0.240 4.098 4.340 -0.003 0.000 0.239 154 R C 1.953 178.440 176.300 0.312 0.000 1.126 154 R CA 2.665 58.934 56.100 0.283 0.000 0.927 154 R CB -0.848 29.576 30.300 0.207 0.000 0.860 154 R HN 0.954 nan 8.270 nan 0.000 0.433 155 H N 0.217 119.393 119.070 0.176 0.000 2.394 155 H HA -0.135 4.419 4.556 -0.003 0.000 0.297 155 H C 1.671 177.091 175.328 0.154 0.000 1.113 155 H CA 1.812 57.938 56.048 0.131 0.000 1.277 155 H CB 0.010 29.814 29.762 0.071 0.000 1.370 155 H HN 0.051 nan 8.280 nan 0.000 0.506 156 L N -0.648 120.689 121.223 0.191 0.000 2.202 156 L HA -0.014 4.324 4.340 -0.003 0.000 0.205 156 L C 2.578 179.683 176.870 0.392 0.000 1.083 156 L CA 1.565 56.536 54.840 0.218 0.000 0.790 156 L CB -0.574 41.669 42.059 0.307 0.000 0.942 156 L HN 0.464 nan 8.230 nan 0.000 0.452 157 T N -2.797 112.027 114.554 0.450 0.000 3.072 157 T HA -0.122 4.226 4.350 -0.003 0.000 0.266 157 T C 1.393 176.294 174.700 0.336 0.000 1.127 157 T CA 1.026 63.447 62.100 0.535 0.000 1.107 157 T CB -0.341 68.959 68.868 0.720 0.000 0.910 157 T HN 0.583 nan 8.240 nan 0.000 0.513 158 E N -0.350 119.979 120.200 0.214 0.000 2.102 158 E HA -0.061 4.288 4.350 -0.003 0.000 0.190 158 E C 1.979 178.598 176.600 0.030 0.000 0.971 158 E CA 0.235 56.679 56.400 0.073 0.000 0.821 158 E CB -0.621 29.122 29.700 0.072 0.000 0.777 158 E HN 0.505 nan 8.360 nan 0.000 0.460 159 Y N 0.936 121.134 120.300 -0.170 0.000 2.184 159 Y HA 0.021 4.569 4.550 -0.003 0.000 0.290 159 Y C 0.562 176.290 175.900 -0.287 0.000 1.129 159 Y CA 0.813 58.715 58.100 -0.330 0.000 1.144 159 Y CB 0.052 38.149 38.460 -0.605 0.000 0.995 159 Y HN -0.132 nan 8.280 nan 0.000 0.513 160 F N -0.274 119.816 119.950 0.235 0.000 2.291 160 F HA 0.154 4.679 4.527 -0.003 0.000 0.305 160 F C 2.004 177.893 175.800 0.149 0.000 1.171 160 F CA 0.118 58.225 58.000 0.178 0.000 1.090 160 F CB -0.140 39.041 39.000 0.303 0.000 1.436 160 F HN -0.158 nan 8.300 nan 0.000 0.509 161 T N -2.360 112.453 114.554 0.433 0.000 3.160 161 T HA -0.083 4.265 4.350 -0.003 0.000 0.257 161 T C 1.728 176.646 174.700 0.364 0.000 1.147 161 T CA 0.348 62.669 62.100 0.370 0.000 1.064 161 T CB -0.682 68.508 68.868 0.536 0.000 0.949 161 T HN 0.360 nan 8.240 nan 0.000 0.526 162 F N 2.707 122.793 119.950 0.226 0.000 2.051 162 F HA 0.060 4.585 4.527 -0.003 0.000 0.296 162 F C 2.251 178.057 175.800 0.009 0.000 1.122 162 F CA 0.976 59.078 58.000 0.169 0.000 1.201 162 F CB -0.517 38.651 39.000 0.281 0.000 0.978 162 F HN 0.076 nan 8.300 nan 0.000 0.472 163 K N -0.033 120.315 120.400 -0.087 0.000 2.000 163 K HA -0.353 3.965 4.320 -0.003 0.000 0.218 163 K C 2.272 178.564 176.600 -0.513 0.000 1.053 163 K CA 2.305 58.203 56.287 -0.648 0.000 0.946 163 K CB -0.564 31.484 32.500 -0.753 0.000 0.723 163 K HN 0.328 nan 8.250 nan 0.000 0.446 164 Q N 0.554 120.150 119.800 -0.339 0.000 2.181 164 Q HA -0.229 4.109 4.340 -0.003 0.000 0.205 164 Q C 1.895 177.541 176.000 -0.590 0.000 0.980 164 Q CA 2.077 57.667 55.803 -0.355 0.000 0.862 164 Q CB -0.022 28.588 28.738 -0.213 0.000 0.905 164 Q HN 0.455 nan 8.270 nan 0.000 0.429 165 E N -0.863 118.941 120.200 -0.660 0.000 2.017 165 E HA -0.232 4.116 4.350 -0.003 0.000 0.193 165 E C 1.911 178.083 176.600 -0.713 0.000 0.997 165 E CA 1.564 57.305 56.400 -1.099 0.000 0.804 165 E CB -0.242 29.179 29.700 -0.465 0.000 0.757 165 E HN 0.503 nan 8.360 nan 0.000 0.448 166 C N 1.069 120.032 119.300 -0.562 0.000 2.385 166 C HA -0.154 4.304 4.460 -0.003 0.000 0.275 166 C C 2.539 177.371 174.990 -0.264 0.000 1.207 166 C CA 1.328 60.116 59.018 -0.384 0.000 1.760 166 C CB -0.834 26.646 27.740 -0.434 0.000 2.051 166 C HN 0.469 nan 8.230 nan 0.000 0.467 167 K N 0.151 120.355 120.400 -0.326 0.000 2.209 167 K HA -0.088 4.231 4.320 -0.003 0.000 0.204 167 K C 1.754 178.199 176.600 -0.260 0.000 1.048 167 K CA 1.009 57.147 56.287 -0.248 0.000 0.940 167 K CB -0.117 32.235 32.500 -0.247 0.000 0.729 167 K HN 0.467 nan 8.250 nan 0.000 0.451 168 I N 1.423 121.761 120.570 -0.386 0.000 2.277 168 I HA -0.181 3.987 4.170 -0.003 0.000 0.243 168 I C 1.876 177.817 176.117 -0.293 0.000 1.094 168 I CA 1.514 62.597 61.300 -0.362 0.000 1.393 168 I CB -0.615 37.040 38.000 -0.575 0.000 1.078 168 I HN 0.128 nan 8.210 nan 0.000 0.417 169 K N -0.794 119.411 120.400 -0.324 0.000 2.137 169 K HA -0.055 4.263 4.320 -0.003 0.000 0.202 169 K C 1.240 177.484 176.600 -0.593 0.000 1.052 169 K CA 1.200 57.279 56.287 -0.347 0.000 0.961 169 K CB 0.182 32.573 32.500 -0.182 0.000 0.741 169 K HN 0.204 nan 8.250 nan 0.000 0.452 170 Y N -0.340 119.870 120.300 -0.150 0.000 2.725 170 Y HA 0.138 4.686 4.550 -0.003 0.000 0.112 170 Y C 0.725 176.562 175.900 -0.105 0.000 0.888 170 Y CA -0.275 57.761 58.100 -0.107 0.000 1.840 170 Y CB 0.386 38.786 38.460 -0.100 0.000 1.177 170 Y HN -0.057 nan 8.280 nan 0.000 0.263 171 S N -1.224 114.526 115.700 0.084 0.000 2.661 171 S HA 0.209 4.678 4.470 -0.003 0.000 0.268 171 S C 0.040 174.636 174.600 -0.008 0.000 1.162 171 S CA -0.532 57.672 58.200 0.007 0.000 0.817 171 S CB 1.556 64.773 63.200 0.027 0.000 1.141 171 S HN 0.456 nan 8.310 nan 0.000 0.477 172 E N 0.134 120.327 120.200 -0.013 0.000 2.358 172 E HA -0.014 4.334 4.350 -0.003 0.000 0.195 172 E C 1.962 178.602 176.600 0.067 0.000 1.010 172 E CA 0.341 56.753 56.400 0.019 0.000 0.856 172 E CB -0.017 29.684 29.700 0.003 0.000 0.795 172 E HN 0.569 nan 8.360 nan 0.000 0.504 173 R N 0.042 120.561 120.500 0.031 0.000 2.062 173 R HA -0.117 4.221 4.340 -0.003 0.000 0.231 173 R C 2.193 178.489 176.300 -0.006 0.000 1.136 173 R CA 1.537 57.647 56.100 0.017 0.000 0.948 173 R CB -0.221 30.088 30.300 0.014 0.000 0.845 173 R HN 0.086 nan 8.270 nan 0.000 0.430 174 V N 0.641 120.549 119.914 -0.011 0.000 2.282 174 V HA -0.301 3.817 4.120 -0.003 0.000 0.249 174 V C 2.111 178.142 176.094 -0.104 0.000 1.057 174 V CA 2.103 64.360 62.300 -0.072 0.000 1.032 174 V CB -0.847 30.913 31.823 -0.105 0.000 0.645 174 V HN 0.450 nan 8.190 nan 0.000 0.447 175 Y N 1.513 121.693 120.300 -0.199 0.000 2.207 175 Y HA -0.255 4.293 4.550 -0.003 0.000 0.287 175 Y C 2.323 178.115 175.900 -0.179 0.000 1.156 175 Y CA 2.023 59.976 58.100 -0.245 0.000 1.182 175 Y CB -0.424 37.896 38.460 -0.233 0.000 0.979 175 Y HN 0.345 nan 8.280 nan 0.000 0.521 176 D N 0.205 120.484 120.400 -0.202 0.000 2.117 176 D HA -0.149 4.489 4.640 -0.003 0.000 0.198 176 D C 2.377 178.538 176.300 -0.232 0.000 0.982 176 D CA 1.408 55.261 54.000 -0.246 0.000 0.828 176 D CB -0.686 40.073 40.800 -0.068 0.000 0.967 176 D HN 0.474 nan 8.370 nan 0.000 0.464 177 A N 0.904 123.632 122.820 -0.154 0.000 1.903 177 A HA -0.267 4.052 4.320 -0.003 0.000 0.219 177 A C 2.619 180.109 177.584 -0.156 0.000 1.191 177 A CA 1.861 53.836 52.037 -0.103 0.000 0.638 177 A CB -1.140 17.818 19.000 -0.069 0.000 0.823 177 A HN 0.372 nan 8.150 nan 0.000 0.451 178 C N -1.113 118.006 119.300 -0.301 0.000 2.436 178 C HA -0.150 4.308 4.460 -0.003 0.000 0.277 178 C C 2.865 177.397 174.990 -0.764 0.000 1.241 178 C CA 1.385 60.084 59.018 -0.530 0.000 1.721 178 C CB -1.128 26.242 27.740 -0.615 0.000 2.043 178 C HN 0.599 nan 8.230 nan 0.000 0.472 179 M N 0.968 120.141 119.600 -0.712 0.000 2.144 179 M HA -0.144 4.334 4.480 -0.003 0.000 0.260 179 M C 1.619 177.819 176.300 -0.167 0.000 1.067 179 M CA 1.727 56.725 55.300 -0.504 0.000 1.095 179 M CB -1.481 30.840 32.600 -0.465 0.000 1.365 179 M HN 0.418 nan 8.290 nan 0.000 0.406 180 D N 0.186 120.524 120.400 -0.103 0.000 2.123 180 D HA 0.004 4.642 4.640 -0.003 0.000 0.200 180 D C 2.052 178.439 176.300 0.145 0.000 0.976 180 D CA 1.489 55.511 54.000 0.037 0.000 0.831 180 D CB -0.224 40.596 40.800 0.033 0.000 0.974 180 D HN 0.293 nan 8.370 nan 0.000 0.469 181 A N 1.242 124.165 122.820 0.172 0.000 1.849 181 A HA -0.220 4.098 4.320 -0.003 0.000 0.217 181 A C 1.974 179.882 177.584 0.541 0.000 1.202 181 A CA 1.267 53.539 52.037 0.392 0.000 0.629 181 A CB -1.205 18.143 19.000 0.581 0.000 0.834 181 A HN 0.125 nan 8.150 nan 0.000 0.447 182 F N 0.980 121.074 119.950 0.240 0.000 2.176 182 F HA -0.211 4.314 4.527 -0.003 0.000 0.301 182 F C 1.711 177.583 175.800 0.121 0.000 1.071 182 F CA 1.382 59.506 58.000 0.205 0.000 1.289 182 F CB -1.170 37.913 39.000 0.138 0.000 1.028 182 F HN 0.279 nan 8.300 nan 0.000 0.494 183 D N -1.159 119.419 120.400 0.296 0.000 2.371 183 D HA -0.065 4.573 4.640 -0.003 0.000 0.221 183 D C 1.710 178.017 176.300 0.013 0.000 0.986 183 D CA 0.745 54.838 54.000 0.155 0.000 0.899 183 D CB -0.389 40.527 40.800 0.193 0.000 0.902 183 D HN 0.323 nan 8.370 nan 0.000 0.530 184 C N -0.020 119.333 119.300 0.089 0.000 3.038 184 C HA 0.314 4.772 4.460 -0.003 0.000 0.279 184 C C 1.029 175.983 174.990 -0.059 0.000 1.276 184 C CA -0.878 58.133 59.018 -0.012 0.000 1.697 184 C CB -0.995 26.871 27.740 0.210 0.000 2.032 184 C HN 0.126 nan 8.230 nan 0.000 0.636 185 L N 2.874 124.094 121.223 -0.005 0.000 2.418 185 L HA 0.204 4.542 4.340 -0.003 0.000 0.274 185 L C -2.270 174.565 176.870 -0.057 0.000 1.135 185 L CA -1.144 53.699 54.840 0.006 0.000 0.870 185 L CB 0.142 42.231 42.059 0.050 0.000 1.154 185 L HN -0.133 nan 8.230 nan 0.000 0.462 186 P HA -0.045 nan 4.420 nan 0.000 0.262 186 P C 0.771 178.055 177.300 -0.027 0.000 1.182 186 P CA 0.209 63.288 63.100 -0.035 0.000 0.761 186 P CB 0.553 32.257 31.700 0.007 0.000 0.795 187 L N 1.503 122.701 121.223 -0.040 0.000 2.275 187 L HA 0.033 4.371 4.340 -0.003 0.000 0.215 187 L C 1.175 178.044 176.870 -0.000 0.000 1.119 187 L CA 1.138 55.964 54.840 -0.023 0.000 0.790 187 L CB -0.422 41.624 42.059 -0.022 0.000 0.919 187 L HN 0.476 nan 8.230 nan 0.000 0.443 188 A N -1.077 121.745 122.820 0.003 0.000 2.573 188 A HA 0.846 5.165 4.320 -0.003 0.000 0.310 188 A C -1.802 175.782 177.584 0.000 0.000 1.142 188 A CA 0.075 52.118 52.037 0.011 0.000 0.620 188 A CB 0.803 19.810 19.000 0.012 0.000 1.382 188 A HN -0.026 nan 8.150 nan 0.000 0.545 189 A N -1.062 121.760 122.820 0.004 0.000 2.577 189 A HA 0.624 4.943 4.320 -0.003 0.000 0.297 189 A C -2.028 175.565 177.584 0.015 0.000 1.060 189 A CA -0.290 51.734 52.037 -0.021 0.000 0.697 189 A CB 1.252 20.223 19.000 -0.049 0.000 1.281 189 A HN 2.014 nan 8.150 nan 0.000 0.402 190 L N 3.183 124.409 121.223 0.004 0.000 2.297 190 L HA 0.529 4.868 4.340 -0.003 0.000 0.277 190 L C -0.105 176.787 176.870 0.037 0.000 1.040 190 L CA -0.279 54.581 54.840 0.034 0.000 0.867 190 L CB 0.770 42.838 42.059 0.015 0.000 1.244 190 L HN 0.811 nan 8.230 nan 0.000 0.433 191 M N 3.820 123.485 119.600 0.108 0.000 2.185 191 M HA 0.145 4.623 4.480 -0.003 0.000 0.357 191 M C 0.632 177.040 176.300 0.180 0.000 1.260 191 M CA 0.134 55.534 55.300 0.165 0.000 1.124 191 M CB 0.298 33.052 32.600 0.258 0.000 1.600 191 M HN 0.809 nan 8.290 nan 0.000 0.467 192 N N 3.616 122.410 118.700 0.156 0.000 2.702 192 N HA -0.250 4.488 4.740 -0.003 0.000 0.255 192 N C -0.281 175.231 175.510 0.003 0.000 0.983 192 N CA 1.458 54.588 53.050 0.133 0.000 0.768 192 N CB -0.669 38.028 38.487 0.349 0.000 0.918 192 N HN 0.823 nan 8.380 nan 0.000 0.540 193 Q N -2.927 116.861 119.800 -0.021 0.000 2.375 193 Q HA -0.388 3.951 4.340 -0.003 0.000 0.242 193 Q C 0.518 176.419 176.000 -0.165 0.000 0.956 193 Q CA 1.824 57.584 55.803 -0.072 0.000 1.163 193 Q CB -1.106 27.594 28.738 -0.063 0.000 1.680 193 Q HN 0.815 nan 8.270 nan 0.000 0.547 194 Q N -1.403 118.221 119.800 -0.294 0.000 2.342 194 Q HA 0.234 4.572 4.340 -0.003 0.000 0.261 194 Q C -0.420 175.200 176.000 -0.633 0.000 0.841 194 Q CA 0.200 55.642 55.803 -0.602 0.000 0.969 194 Q CB 0.848 28.934 28.738 -1.086 0.000 1.136 194 Q HN 0.219 nan 8.270 nan 0.000 0.528 195 F N 0.687 120.604 119.950 -0.056 0.000 2.532 195 F HA 0.415 4.941 4.527 -0.003 0.000 0.321 195 F C -0.589 175.215 175.800 0.007 0.000 1.089 195 F CA -1.527 56.459 58.000 -0.024 0.000 0.926 195 F CB 1.316 40.292 39.000 -0.041 0.000 1.168 195 F HN -0.152 nan 8.300 nan 0.000 0.459 196 L N 3.616 124.972 121.223 0.222 0.000 2.262 196 L HA 0.514 4.853 4.340 -0.003 0.000 0.288 196 L C -1.033 175.886 176.870 0.082 0.000 1.035 196 L CA -0.629 54.286 54.840 0.124 0.000 0.820 196 L CB 0.147 42.258 42.059 0.087 0.000 1.204 196 L HN 0.706 nan 8.230 nan 0.000 0.424 197 C N 5.526 124.866 119.300 0.067 0.000 2.200 197 C HA 0.706 5.164 4.460 -0.003 0.000 0.328 197 C C 0.516 175.520 174.990 0.024 0.000 1.148 197 C CA -0.720 58.321 59.018 0.038 0.000 1.624 197 C CB -0.447 27.319 27.740 0.044 0.000 2.167 197 C HN 0.678 nan 8.230 nan 0.000 0.484 198 V N 1.841 121.758 119.914 0.005 0.000 3.158 198 V HA 0.358 4.476 4.120 -0.003 0.000 0.315 198 V C 0.691 176.795 176.094 0.016 0.000 1.148 198 V CA -0.415 61.890 62.300 0.007 0.000 1.042 198 V CB 2.008 33.812 31.823 -0.031 0.000 1.101 198 V HN 0.841 nan 8.190 nan 0.000 0.448 199 H N 0.611 119.639 119.070 -0.069 0.000 2.320 199 H HA 0.198 4.752 4.556 -0.003 0.000 0.309 199 H C 1.690 176.938 175.328 -0.133 0.000 1.057 199 H CA 2.020 58.010 56.048 -0.097 0.000 1.374 199 H CB -0.039 29.629 29.762 -0.156 0.000 1.421 199 H HN 0.701 nan 8.280 nan 0.000 0.532 200 G N -1.320 107.390 108.800 -0.151 0.000 2.557 200 G HA2 0.415 4.373 3.960 -0.003 0.000 0.213 200 G HA3 0.415 4.373 3.960 -0.003 0.000 0.213 200 G C 0.555 175.468 174.900 0.022 0.000 1.221 200 G CA 0.539 45.484 45.100 -0.258 0.000 0.832 200 G HN 0.798 nan 8.290 nan 0.000 0.556 201 G N -1.306 107.533 108.800 0.065 0.000 2.441 201 G HA2 0.364 4.323 3.960 -0.003 0.000 0.225 201 G HA3 0.364 4.323 3.960 -0.003 0.000 0.225 201 G C -1.162 173.673 174.900 -0.108 0.000 1.200 201 G CA -0.659 44.487 45.100 0.076 0.000 0.947 201 G HN 0.324 nan 8.290 nan 0.000 0.484 202 L N 0.250 121.305 121.223 -0.280 0.000 2.448 202 L HA 0.751 5.089 4.340 -0.003 0.000 0.258 202 L C 0.527 177.474 176.870 0.129 0.000 1.104 202 L CA -0.715 54.017 54.840 -0.180 0.000 0.800 202 L CB 1.624 43.500 42.059 -0.304 0.000 1.241 202 L HN 0.576 nan 8.230 nan 0.000 0.472 203 S N -1.011 114.719 115.700 0.051 0.000 2.538 203 S HA 0.452 4.920 4.470 -0.003 0.000 0.288 203 S C -2.216 172.138 174.600 -0.410 0.000 1.108 203 S CA -1.417 56.738 58.200 -0.075 0.000 0.971 203 S CB 1.901 65.069 63.200 -0.052 0.000 1.041 203 S HN 0.249 nan 8.310 nan 0.000 0.483 204 P HA -0.025 nan 4.420 nan 0.000 0.218 204 P C 0.442 177.495 177.300 -0.411 0.000 1.149 204 P CA 1.092 63.455 63.100 -1.227 0.000 0.817 204 P CB 0.126 31.146 31.700 -1.135 0.000 0.785 205 E N -1.146 118.909 120.200 -0.242 0.000 2.489 205 E HA 0.093 4.441 4.350 -0.003 0.000 0.193 205 E C 0.400 176.993 176.600 -0.011 0.000 1.057 205 E CA 0.129 56.478 56.400 -0.084 0.000 0.866 205 E CB 0.077 29.752 29.700 -0.043 0.000 0.916 205 E HN 0.318 nan 8.360 nan 0.000 0.500 206 I N 1.826 122.403 120.570 0.012 0.000 2.412 206 I HA 0.132 4.300 4.170 -0.003 0.000 0.279 206 I C 0.052 176.331 176.117 0.270 0.000 1.063 206 I CA -0.226 61.144 61.300 0.116 0.000 1.193 206 I CB 0.886 38.943 38.000 0.095 0.000 1.370 206 I HN -0.028 nan 8.210 nan 0.000 0.479 207 N N 2.046 120.888 118.700 0.235 0.000 2.432 207 N HA -0.002 4.736 4.740 -0.003 0.000 0.174 207 N C 0.556 176.158 175.510 0.153 0.000 1.037 207 N CA 0.359 53.565 53.050 0.260 0.000 0.892 207 N CB 0.420 38.970 38.487 0.105 0.000 1.049 207 N HN 0.594 nan 8.380 nan 0.000 0.442 208 T N -2.388 112.244 114.554 0.130 0.000 2.908 208 T HA 0.392 4.741 4.350 -0.003 0.000 0.290 208 T C 0.828 175.569 174.700 0.068 0.000 1.034 208 T CA -0.769 61.326 62.100 -0.007 0.000 1.010 208 T CB 1.442 70.319 68.868 0.015 0.000 1.068 208 T HN -0.072 nan 8.240 nan 0.000 0.481 209 L N 0.647 121.872 121.223 0.004 0.000 2.349 209 L HA -0.032 4.306 4.340 -0.003 0.000 0.220 209 L C 1.930 178.835 176.870 0.059 0.000 1.130 209 L CA 0.962 55.854 54.840 0.087 0.000 0.791 209 L CB -0.512 41.568 42.059 0.036 0.000 0.918 209 L HN 0.695 nan 8.230 nan 0.000 0.444 210 D N -0.149 120.271 120.400 0.032 0.000 2.149 210 D HA -0.149 4.490 4.640 -0.003 0.000 0.201 210 D C 1.827 178.156 176.300 0.050 0.000 0.972 210 D CA 0.810 54.829 54.000 0.031 0.000 0.835 210 D CB 0.000 40.810 40.800 0.015 0.000 0.966 210 D HN 0.214 nan 8.370 nan 0.000 0.476 211 D N 0.329 120.769 120.400 0.067 0.000 2.126 211 D HA -0.171 4.467 4.640 -0.003 0.000 0.190 211 D C 2.244 178.583 176.300 0.066 0.000 1.001 211 D CA 0.740 54.782 54.000 0.070 0.000 0.841 211 D CB -0.282 40.572 40.800 0.089 0.000 0.949 211 D HN 0.287 nan 8.370 nan 0.000 0.446 212 I N 1.024 121.640 120.570 0.077 0.000 2.264 212 I HA -0.266 3.902 4.170 -0.003 0.000 0.248 212 I C 2.514 178.661 176.117 0.050 0.000 1.111 212 I CA 1.110 62.447 61.300 0.061 0.000 1.382 212 I CB -0.126 37.914 38.000 0.067 0.000 1.060 212 I HN -0.045 nan 8.210 nan 0.000 0.418 213 R N 0.837 121.367 120.500 0.051 0.000 2.120 213 R HA -0.141 4.198 4.340 -0.003 0.000 0.234 213 R C 2.046 178.378 176.300 0.054 0.000 1.123 213 R CA 1.068 57.197 56.100 0.048 0.000 0.975 213 R CB -0.377 29.947 30.300 0.040 0.000 0.866 213 R HN 0.412 nan 8.270 nan 0.000 0.446 214 K N 0.626 121.057 120.400 0.051 0.000 2.366 214 K HA 0.071 4.389 4.320 -0.003 0.000 0.198 214 K C 0.636 177.272 176.600 0.060 0.000 1.044 214 K CA 0.267 56.586 56.287 0.053 0.000 0.973 214 K CB 0.028 32.555 32.500 0.046 0.000 0.767 214 K HN 0.092 nan 8.250 nan 0.000 0.475 215 L N 2.082 123.340 121.223 0.058 0.000 2.456 215 L HA 0.005 4.343 4.340 -0.003 0.000 0.272 215 L C 0.202 177.122 176.870 0.083 0.000 1.189 215 L CA -0.361 54.514 54.840 0.060 0.000 0.846 215 L CB 0.182 42.267 42.059 0.043 0.000 1.111 215 L HN 0.054 nan 8.230 nan 0.000 0.475 216 D N 1.909 122.367 120.400 0.097 0.000 2.347 216 D HA 0.125 4.763 4.640 -0.003 0.000 0.235 216 D C 0.924 177.296 176.300 0.121 0.000 1.149 216 D CA -0.496 53.599 54.000 0.158 0.000 0.850 216 D CB 0.868 41.757 40.800 0.149 0.000 1.061 216 D HN 0.484 nan 8.370 nan 0.000 0.487 217 R N 2.771 123.305 120.500 0.057 0.000 2.254 217 R HA 0.116 4.454 4.340 -0.003 0.000 0.195 217 R C 0.142 176.333 176.300 -0.182 0.000 0.957 217 R CA 0.026 56.049 56.100 -0.129 0.000 1.024 217 R CB -0.206 29.926 30.300 -0.280 0.000 0.952 217 R HN 0.195 nan 8.270 nan 0.000 0.484 218 F N 4.005 123.992 119.950 0.061 0.000 2.685 218 F HA 0.225 4.750 4.527 -0.003 0.000 0.349 218 F C 0.091 175.929 175.800 0.064 0.000 1.294 218 F CA 0.094 58.134 58.000 0.067 0.000 1.201 218 F CB -0.226 38.808 39.000 0.057 0.000 1.615 218 F HN 0.147 nan 8.300 nan 0.000 0.674 219 K N -0.708 119.781 120.400 0.147 0.000 2.685 219 K HA 0.367 4.685 4.320 -0.003 0.000 0.290 219 K C -1.372 175.289 176.600 0.101 0.000 1.018 219 K CA -1.228 55.133 56.287 0.124 0.000 0.860 219 K CB 0.919 33.484 32.500 0.108 0.000 1.498 219 K HN 0.023 nan 8.250 nan 0.000 0.390 220 E N 1.797 122.054 120.200 0.095 0.000 2.376 220 E HA 0.179 4.528 4.350 -0.003 0.000 0.266 220 E C -2.232 174.417 176.600 0.081 0.000 1.009 220 E CA -1.347 55.112 56.400 0.099 0.000 0.902 220 E CB 0.578 30.332 29.700 0.091 0.000 0.972 220 E HN 0.301 nan 8.360 nan 0.000 0.439 221 P HA 0.024 nan 4.420 nan 0.000 0.264 221 P C -2.371 174.945 177.300 0.026 0.000 1.183 221 P CA -0.649 62.496 63.100 0.074 0.000 0.763 221 P CB 0.060 31.838 31.700 0.130 0.000 0.807 222 P HA 0.012 nan 4.420 nan 0.000 0.270 222 P C -0.066 177.196 177.300 -0.063 0.000 1.223 222 P CA -0.097 62.997 63.100 -0.010 0.000 0.785 222 P CB 0.648 32.360 31.700 0.020 0.000 0.923 223 A N 0.863 123.638 122.820 -0.075 0.000 2.276 223 A HA 0.128 4.446 4.320 -0.003 0.000 0.212 223 A C 0.214 177.773 177.584 -0.041 0.000 1.230 223 A CA 0.573 52.529 52.037 -0.136 0.000 0.844 223 A CB -1.017 17.894 19.000 -0.148 0.000 0.860 223 A HN 0.640 nan 8.150 nan 0.000 0.486 224 Y N -2.753 117.466 120.300 -0.136 0.000 2.774 224 Y HA 0.427 4.976 4.550 -0.003 0.000 0.346 224 Y C 0.087 175.960 175.900 -0.045 0.000 1.222 224 Y CA -0.001 58.037 58.100 -0.104 0.000 1.088 224 Y CB 0.265 38.675 38.460 -0.084 0.000 1.354 224 Y HN 0.991 nan 8.280 nan 0.000 0.455 225 G N 2.371 110.798 108.800 -0.622 0.000 2.592 225 G HA2 -0.121 3.837 3.960 -0.003 0.000 0.684 225 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.684 225 G C -2.668 172.107 174.900 -0.210 0.000 1.291 225 G CA -0.501 44.458 45.100 -0.235 0.000 0.891 225 G HN 0.532 nan 8.290 nan 0.000 0.544 226 P HA -0.106 nan 4.420 nan 0.000 0.216 226 P C 2.135 179.422 177.300 -0.021 0.000 1.150 226 P CA 2.110 65.182 63.100 -0.046 0.000 0.843 226 P CB 0.031 31.727 31.700 -0.008 0.000 0.787 227 M N -1.178 118.417 119.600 -0.008 0.000 2.200 227 M HA -0.128 4.350 4.480 -0.003 0.000 0.265 227 M C 2.185 178.510 176.300 0.041 0.000 1.066 227 M CA 1.648 56.958 55.300 0.016 0.000 1.127 227 M CB -0.688 31.925 32.600 0.022 0.000 1.379 227 M HN 0.041 nan 8.290 nan 0.000 0.420 228 C N 0.917 120.223 119.300 0.010 0.000 2.446 228 C HA -0.143 4.315 4.460 -0.003 0.000 0.277 228 C C 2.127 177.172 174.990 0.093 0.000 1.275 228 C CA 1.426 60.466 59.018 0.037 0.000 1.727 228 C CB -1.132 26.530 27.740 -0.130 0.000 2.010 228 C HN 0.558 nan 8.230 nan 0.000 0.486 229 D N 0.807 121.203 120.400 -0.008 0.000 2.178 229 D HA -0.052 4.586 4.640 -0.003 0.000 0.202 229 D C 2.187 178.541 176.300 0.089 0.000 0.974 229 D CA 0.960 54.987 54.000 0.046 0.000 0.841 229 D CB -0.215 40.598 40.800 0.021 0.000 0.953 229 D HN 0.420 nan 8.370 nan 0.000 0.478 230 I N 1.087 121.688 120.570 0.052 0.000 2.113 230 I HA -0.205 3.963 4.170 -0.003 0.000 0.238 230 I C 2.554 178.682 176.117 0.020 0.000 1.070 230 I CA 0.941 62.256 61.300 0.026 0.000 1.332 230 I CB -1.062 36.946 38.000 0.012 0.000 1.044 230 I HN 0.033 nan 8.210 nan 0.000 0.402 231 L N -2.054 119.192 121.223 0.038 0.000 2.109 231 L HA -0.176 4.163 4.340 -0.003 0.000 0.207 231 L C 2.101 178.816 176.870 -0.258 0.000 1.086 231 L CA 1.193 56.002 54.840 -0.052 0.000 0.760 231 L CB -0.477 41.583 42.059 0.001 0.000 0.910 231 L HN 0.298 nan 8.230 nan 0.000 0.437 232 W N -0.744 120.470 121.300 -0.144 0.000 3.107 232 W HA 0.163 4.821 4.660 -0.003 0.000 0.293 232 W C 1.267 177.749 176.519 -0.062 0.000 1.239 232 W CA -0.284 56.980 57.345 -0.135 0.000 1.653 232 W CB 0.095 29.521 29.460 -0.056 0.000 1.068 232 W HN -0.179 nan 8.180 nan 0.000 0.615 233 S N 1.557 117.362 115.700 0.176 0.000 2.568 233 S HA 0.080 4.548 4.470 -0.003 0.000 0.282 233 S C -0.208 174.515 174.600 0.205 0.000 1.338 233 S CA 0.127 58.482 58.200 0.259 0.000 1.045 233 S CB 0.516 64.022 63.200 0.510 0.000 0.873 233 S HN -0.016 nan 8.310 nan 0.000 0.516 234 D N 2.093 122.497 120.400 0.008 0.000 2.671 234 D HA 0.428 5.066 4.640 -0.003 0.000 0.232 234 D C -2.608 173.374 176.300 -0.530 0.000 1.114 234 D CA -1.458 52.508 54.000 -0.058 0.000 0.858 234 D CB 2.097 43.074 40.800 0.295 0.000 1.544 234 D HN 0.186 nan 8.370 nan 0.000 0.471 235 P HA 0.194 nan 4.420 nan 0.000 0.276 235 P C 0.050 177.263 177.300 -0.145 0.000 1.244 235 P CA -0.587 62.162 63.100 -0.584 0.000 0.801 235 P CB 1.247 32.591 31.700 -0.594 0.000 1.006 236 L N 1.891 123.131 121.223 0.028 0.000 2.490 236 L HA -0.038 4.301 4.340 -0.003 0.000 0.274 236 L C 2.232 179.055 176.870 -0.077 0.000 1.201 236 L CA 0.469 55.250 54.840 -0.098 0.000 0.869 236 L CB -0.119 41.942 42.059 0.004 0.000 1.123 236 L HN 0.548 nan 8.230 nan 0.000 0.484 237 E N 1.854 121.907 120.200 -0.245 0.000 2.233 237 E HA -0.240 4.108 4.350 -0.003 0.000 0.199 237 E C -0.037 176.545 176.600 -0.030 0.000 1.004 237 E CA 1.706 58.020 56.400 -0.142 0.000 0.819 237 E CB 0.182 29.765 29.700 -0.195 0.000 0.738 237 E HN 0.685 nan 8.360 nan 0.000 0.478 238 D N 0.206 120.599 120.400 -0.012 0.000 2.643 238 D HA 0.018 4.656 4.640 -0.003 0.000 0.244 238 D C -0.393 175.970 176.300 0.105 0.000 1.257 238 D CA -0.347 53.670 54.000 0.028 0.000 0.831 238 D CB -0.275 40.516 40.800 -0.017 0.000 1.043 238 D HN 0.091 nan 8.370 nan 0.000 0.488 239 F N 1.734 121.681 119.950 -0.006 0.000 2.602 239 F HA 0.294 4.819 4.527 -0.003 0.000 0.385 239 F C 1.501 177.329 175.800 0.046 0.000 1.063 239 F CA 1.149 59.176 58.000 0.046 0.000 1.233 239 F CB 0.569 39.607 39.000 0.064 0.000 1.067 239 F HN 0.290 nan 8.300 nan 0.000 0.564 240 G N 4.492 113.219 108.800 -0.122 0.000 2.284 240 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.216 240 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.216 240 G C 0.407 175.152 174.900 -0.258 0.000 1.009 240 G CA 0.261 45.192 45.100 -0.282 0.000 0.625 240 G HN 0.718 nan 8.290 nan 0.000 0.501 241 N N 1.366 120.004 118.700 -0.104 0.000 2.377 241 N HA 0.257 4.995 4.740 -0.003 0.000 0.259 241 N C -0.097 175.384 175.510 -0.048 0.000 1.332 241 N CA -0.012 52.991 53.050 -0.079 0.000 0.877 241 N CB 0.667 39.121 38.487 -0.054 0.000 1.299 241 N HN 0.623 nan 8.380 nan 0.000 0.501 242 E N 0.888 121.058 120.200 -0.050 0.000 2.413 242 E HA -0.020 4.328 4.350 -0.003 0.000 0.263 242 E C -0.013 176.574 176.600 -0.022 0.000 1.015 242 E CA 0.279 56.659 56.400 -0.033 0.000 0.916 242 E CB 1.063 30.738 29.700 -0.040 0.000 0.947 242 E HN 0.208 nan 8.360 nan 0.000 0.440 243 K N 0.776 121.167 120.400 -0.014 0.000 2.551 243 K HA 0.006 4.325 4.320 -0.003 0.000 0.192 243 K C 0.428 177.030 176.600 0.002 0.000 1.027 243 K CA 0.645 56.928 56.287 -0.006 0.000 1.059 243 K CB -0.131 32.366 32.500 -0.005 0.000 0.831 243 K HN 0.756 nan 8.250 nan 0.000 0.508 244 T N -3.444 111.113 114.554 0.004 0.000 2.868 244 T HA 0.168 4.516 4.350 -0.003 0.000 0.306 244 T C -0.234 174.476 174.700 0.018 0.000 1.224 244 T CA -0.991 61.118 62.100 0.016 0.000 1.012 244 T CB 1.856 70.739 68.868 0.025 0.000 1.221 244 T HN -0.207 nan 8.240 nan 0.000 0.499 245 Q N 1.165 120.985 119.800 0.034 0.000 2.297 245 Q HA 0.212 4.551 4.340 -0.003 0.000 0.265 245 Q C 0.106 176.181 176.000 0.125 0.000 0.904 245 Q CA 0.001 55.830 55.803 0.044 0.000 0.969 245 Q CB 0.158 28.925 28.738 0.047 0.000 1.115 245 Q HN 0.808 nan 8.270 nan 0.000 0.433 246 E N -0.198 120.066 120.200 0.107 0.000 2.301 246 E HA 0.062 4.411 4.350 -0.003 0.000 0.275 246 E C 0.251 176.962 176.600 0.185 0.000 1.030 246 E CA -0.135 56.362 56.400 0.162 0.000 0.852 246 E CB 0.808 30.564 29.700 0.092 0.000 1.060 246 E HN 0.309 nan 8.360 nan 0.000 0.401 247 H N 3.368 122.400 119.070 -0.063 0.000 2.275 247 H HA 0.081 4.635 4.556 -0.003 0.000 0.315 247 H C -0.007 175.060 175.328 -0.435 0.000 1.058 247 H CA 0.220 56.107 56.048 -0.268 0.000 1.387 247 H CB 0.138 29.802 29.762 -0.163 0.000 1.435 247 H HN 0.373 nan 8.280 nan 0.000 0.530 248 F N 0.900 120.949 119.950 0.165 0.000 2.450 248 F HA 0.382 4.908 4.527 -0.003 0.000 0.332 248 F C -0.009 175.835 175.800 0.073 0.000 1.093 248 F CA -0.571 57.472 58.000 0.071 0.000 1.003 248 F CB 2.055 40.935 39.000 -0.200 0.000 1.151 248 F HN -0.079 nan 8.300 nan 0.000 0.474 249 T N 1.310 116.070 114.554 0.342 0.000 2.952 249 T HA 0.191 4.539 4.350 -0.003 0.000 0.305 249 T C -0.809 174.150 174.700 0.431 0.000 1.064 249 T CA -0.838 61.450 62.100 0.312 0.000 1.008 249 T CB 0.783 69.761 68.868 0.183 0.000 1.078 249 T HN 0.614 nan 8.240 nan 0.000 0.459 250 H N 2.546 121.896 119.070 0.467 0.000 3.094 250 H HA 0.022 4.577 4.556 -0.003 0.000 0.320 250 H C 0.111 175.469 175.328 0.050 0.000 1.000 250 H CA 0.006 56.234 56.048 0.300 0.000 1.413 250 H CB 0.308 30.185 29.762 0.192 0.000 1.405 250 H HN 0.482 nan 8.280 nan 0.000 0.586 251 N N 2.917 121.450 118.700 -0.278 0.000 2.406 251 N HA -0.093 4.645 4.740 -0.003 0.000 0.269 251 N C 0.866 176.244 175.510 -0.221 0.000 1.210 251 N CA 0.236 52.751 53.050 -0.891 0.000 0.966 251 N CB 0.504 38.438 38.487 -0.923 0.000 1.293 251 N HN 0.770 nan 8.380 nan 0.000 0.491 252 T N 1.930 116.564 114.554 0.134 0.000 3.085 252 T HA 0.010 4.358 4.350 -0.003 0.000 0.263 252 T C 1.682 176.518 174.700 0.226 0.000 1.127 252 T CA 0.618 62.850 62.100 0.219 0.000 1.103 252 T CB 0.273 69.286 68.868 0.243 0.000 0.921 252 T HN 0.267 nan 8.240 nan 0.000 0.510 253 V N 1.333 121.446 119.914 0.331 0.000 2.346 253 V HA 0.066 4.184 4.120 -0.003 0.000 0.244 253 V C 2.856 179.080 176.094 0.218 0.000 1.037 253 V CA 1.163 63.655 62.300 0.320 0.000 1.029 253 V CB -0.313 31.824 31.823 0.522 0.000 0.663 253 V HN 0.322 nan 8.190 nan 0.000 0.454 254 R N -0.173 120.428 120.500 0.169 0.000 2.140 254 R HA 0.168 4.506 4.340 -0.003 0.000 0.213 254 R C 1.923 178.295 176.300 0.120 0.000 1.059 254 R CA 1.020 57.271 56.100 0.253 0.000 1.000 254 R CB -0.479 30.050 30.300 0.382 0.000 0.910 254 R HN 0.599 nan 8.270 nan 0.000 0.455 255 G N 0.511 109.334 108.800 0.038 0.000 2.194 255 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.236 255 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.236 255 G C 0.364 175.214 174.900 -0.083 0.000 0.987 255 G CA 0.194 45.294 45.100 0.001 0.000 0.635 255 G HN 0.508 nan 8.290 nan 0.000 0.520 256 C N -2.240 116.972 119.300 -0.147 0.000 3.340 256 C HA 0.956 5.414 4.460 -0.003 0.000 0.333 256 C C 0.981 175.790 174.990 -0.302 0.000 1.464 256 C CA 0.101 58.967 59.018 -0.253 0.000 1.337 256 C CB 1.233 28.735 27.740 -0.395 0.000 1.740 256 C HN 2.383 nan 8.230 nan 0.000 0.450 257 S N -0.452 114.972 115.700 -0.460 0.000 3.330 257 S HA -0.163 4.305 4.470 -0.003 0.000 0.630 257 S C -0.817 173.277 174.600 -0.844 0.000 2.776 257 S CA 1.260 59.109 58.200 -0.585 0.000 3.494 257 S CB -1.523 61.605 63.200 -0.120 0.000 0.291 257 S HN 1.603 nan 8.310 nan 0.000 1.451 258 Y N -1.166 119.134 120.300 -0.001 0.000 2.615 258 Y HA 0.618 5.167 4.550 -0.003 0.000 0.341 258 Y C -0.332 175.524 175.900 -0.074 0.000 1.089 258 Y CA -0.863 57.246 58.100 0.015 0.000 1.049 258 Y CB 1.114 39.755 38.460 0.303 0.000 1.296 258 Y HN 0.541 nan 8.280 nan 0.000 0.470 259 F N 2.892 123.022 119.950 0.299 0.000 2.303 259 F HA 0.287 4.812 4.527 -0.003 0.000 0.368 259 F C -0.322 175.489 175.800 0.019 0.000 1.105 259 F CA -1.100 56.917 58.000 0.028 0.000 1.153 259 F CB 0.050 39.059 39.000 0.016 0.000 1.362 259 F HN 0.380 nan 8.300 nan 0.000 0.511 260 Y N 0.822 121.288 120.300 0.276 0.000 2.260 260 Y HA 0.567 5.115 4.550 -0.003 0.000 0.339 260 Y C 0.453 176.359 175.900 0.009 0.000 1.317 260 Y CA -1.309 56.759 58.100 -0.054 0.000 1.514 260 Y CB -0.053 38.346 38.460 -0.101 0.000 1.382 260 Y HN 0.401 nan 8.280 nan 0.000 0.581 261 S N -0.855 114.851 115.700 0.011 0.000 2.726 261 S HA 0.230 4.699 4.470 -0.003 0.000 0.308 261 S C 0.285 174.606 174.600 -0.465 0.000 1.115 261 S CA -0.662 57.443 58.200 -0.159 0.000 0.965 261 S CB 0.699 63.788 63.200 -0.185 0.000 1.145 261 S HN 0.799 nan 8.310 nan 0.000 0.532 262 Y N 1.909 121.599 120.300 -1.016 0.000 2.256 262 Y HA 0.127 4.675 4.550 -0.003 0.000 0.288 262 Y C -1.467 174.157 175.900 -0.460 0.000 1.155 262 Y CA 1.420 58.867 58.100 -1.089 0.000 1.203 262 Y CB -1.571 36.394 38.460 -0.826 0.000 0.980 262 Y HN 0.515 nan 8.280 nan 0.000 0.530 263 P HA -0.061 nan 4.420 nan 0.000 0.217 263 P C 1.588 178.574 177.300 -0.524 0.000 1.154 263 P CA 2.256 65.072 63.100 -0.474 0.000 0.841 263 P CB -0.261 31.230 31.700 -0.348 0.000 0.788 264 A N -0.254 122.215 122.820 -0.586 0.000 1.883 264 A HA -0.191 4.127 4.320 -0.003 0.000 0.217 264 A C 2.298 179.742 177.584 -0.233 0.000 1.186 264 A CA 2.206 53.926 52.037 -0.530 0.000 0.624 264 A CB -1.832 16.804 19.000 -0.607 0.000 0.822 264 A HN 0.021 nan 8.150 nan 0.000 0.444 265 V N -0.965 118.823 119.914 -0.210 0.000 2.261 265 V HA -0.307 3.811 4.120 -0.003 0.000 0.246 265 V C 2.575 178.634 176.094 -0.058 0.000 1.047 265 V CA 2.001 64.248 62.300 -0.088 0.000 1.015 265 V CB -1.297 30.554 31.823 0.045 0.000 0.642 265 V HN 0.678 nan 8.190 nan 0.000 0.446 266 C N -0.082 119.081 119.300 -0.228 0.000 2.422 266 C HA -0.119 4.339 4.460 -0.003 0.000 0.286 266 C C 2.696 177.630 174.990 -0.093 0.000 1.412 266 C CA 1.257 60.156 59.018 -0.198 0.000 1.786 266 C CB -1.097 26.394 27.740 -0.415 0.000 1.835 266 C HN 0.700 nan 8.230 nan 0.000 0.533 267 E N -0.310 119.842 120.200 -0.081 0.000 2.122 267 E HA -0.137 4.211 4.350 -0.003 0.000 0.190 267 E C 1.859 178.512 176.600 0.088 0.000 0.977 267 E CA 0.751 57.144 56.400 -0.012 0.000 0.820 267 E CB -0.169 29.513 29.700 -0.029 0.000 0.770 267 E HN 0.620 nan 8.360 nan 0.000 0.462 268 F N 1.245 121.195 119.950 0.000 0.000 2.163 268 F HA -0.031 4.494 4.527 -0.003 0.000 0.297 268 F C 1.767 177.595 175.800 0.046 0.000 1.094 268 F CA 1.020 59.056 58.000 0.061 0.000 1.290 268 F CB -0.190 38.835 39.000 0.041 0.000 1.017 268 F HN -0.018 nan 8.300 nan 0.000 0.483 269 L N 0.116 121.527 121.223 0.314 0.000 1.989 269 L HA -0.290 4.048 4.340 -0.003 0.000 0.211 269 L C 2.572 179.456 176.870 0.024 0.000 1.071 269 L CA 1.932 56.887 54.840 0.191 0.000 0.749 269 L CB -0.958 41.185 42.059 0.140 0.000 0.890 269 L HN 0.252 nan 8.230 nan 0.000 0.431 270 Q N -1.109 118.698 119.800 0.012 0.000 1.993 270 Q HA -0.287 4.052 4.340 -0.003 0.000 0.202 270 Q C 2.182 178.162 176.000 -0.033 0.000 0.984 270 Q CA 1.954 57.749 55.803 -0.014 0.000 0.837 270 Q CB -0.456 28.280 28.738 -0.003 0.000 0.902 270 Q HN 0.472 nan 8.270 nan 0.000 0.423 271 H N 1.136 120.132 119.070 -0.124 0.000 2.394 271 H HA -0.114 4.440 4.556 -0.003 0.000 0.297 271 H C 1.118 176.318 175.328 -0.213 0.000 1.113 271 H CA 1.761 57.715 56.048 -0.156 0.000 1.277 271 H CB 0.001 29.659 29.762 -0.173 0.000 1.370 271 H HN 0.183 nan 8.280 nan 0.000 0.506 272 N N 0.403 118.870 118.700 -0.388 0.000 2.314 272 N HA -0.070 4.668 4.740 -0.003 0.000 0.200 272 N C -0.003 175.363 175.510 -0.240 0.000 1.135 272 N CA 0.594 53.382 53.050 -0.437 0.000 0.835 272 N CB -0.035 38.086 38.487 -0.609 0.000 0.989 272 N HN 0.420 nan 8.380 nan 0.000 0.478 273 N N 0.698 119.292 118.700 -0.177 0.000 2.714 273 N HA -0.192 4.546 4.740 -0.003 0.000 0.252 273 N C -1.249 174.193 175.510 -0.113 0.000 1.014 273 N CA 0.451 53.425 53.050 -0.126 0.000 0.735 273 N CB -1.246 37.164 38.487 -0.129 0.000 0.924 273 N HN 0.300 nan 8.380 nan 0.000 0.540 274 L N -0.215 120.961 121.223 -0.079 0.000 2.334 274 L HA 0.393 4.732 4.340 -0.003 0.000 0.272 274 L C 1.241 178.064 176.870 -0.078 0.000 1.020 274 L CA -1.151 53.649 54.840 -0.066 0.000 0.812 274 L CB 1.007 43.095 42.059 0.048 0.000 1.264 274 L HN 0.020 nan 8.230 nan 0.000 0.439 275 L N 0.088 121.200 121.223 -0.185 0.000 2.121 275 L HA 0.254 4.592 4.340 -0.003 0.000 0.200 275 L C 0.720 177.620 176.870 0.050 0.000 1.077 275 L CA 1.308 56.023 54.840 -0.208 0.000 0.766 275 L CB 0.057 41.755 42.059 -0.603 0.000 0.931 275 L HN 0.654 nan 8.230 nan 0.000 0.452 276 S N -1.663 114.157 115.700 0.199 0.000 2.607 276 S HA 0.607 5.075 4.470 -0.003 0.000 0.273 276 S C -1.174 173.661 174.600 0.392 0.000 1.148 276 S CA -0.764 57.705 58.200 0.449 0.000 0.833 276 S CB 1.072 64.741 63.200 0.782 0.000 1.130 276 S HN -0.009 nan 8.310 nan 0.000 0.470 277 I N 3.362 124.076 120.570 0.240 0.000 2.377 277 I HA 0.422 4.590 4.170 -0.003 0.000 0.293 277 I C -0.856 175.303 176.117 0.069 0.000 0.987 277 I CA -0.543 60.822 61.300 0.108 0.000 1.185 277 I CB 1.105 39.093 38.000 -0.020 0.000 1.341 277 I HN 0.527 nan 8.210 nan 0.000 0.455 278 L N 7.161 128.399 121.223 0.025 0.000 2.318 278 L HA 0.532 4.870 4.340 -0.003 0.000 0.277 278 L C -0.273 176.583 176.870 -0.023 0.000 1.008 278 L CA -0.736 54.087 54.840 -0.029 0.000 0.846 278 L CB 1.111 43.105 42.059 -0.108 0.000 1.220 278 L HN 0.673 nan 8.230 nan 0.000 0.423 279 R N 2.404 122.892 120.500 -0.020 0.000 2.867 279 R HA 0.974 5.313 4.340 -0.003 0.000 0.268 279 R C -0.628 175.646 176.300 -0.042 0.000 1.014 279 R CA -0.484 55.590 56.100 -0.043 0.000 0.946 279 R CB 1.476 31.745 30.300 -0.052 0.000 1.208 279 R HN 0.385 nan 8.270 nan 0.000 0.477 280 A N -0.387 122.353 122.820 -0.133 0.000 3.596 280 A HA 0.529 4.847 4.320 -0.003 0.000 0.189 280 A C 0.294 177.779 177.584 -0.165 0.000 1.478 280 A CA 0.866 52.839 52.037 -0.108 0.000 1.680 280 A CB -0.723 18.198 19.000 -0.131 0.000 1.562 280 A HN 1.057 nan 8.150 nan 0.000 0.575 281 H N -1.231 117.546 119.070 -0.489 0.000 4.778 281 H HA -0.149 4.405 4.556 -0.003 0.000 0.078 281 H C -0.014 175.269 175.328 -0.076 0.000 0.593 281 H CA 1.970 57.785 56.048 -0.388 0.000 1.029 281 H CB -1.165 28.315 29.762 -0.470 0.000 0.441 281 H HN 0.627 nan 8.280 nan 0.000 0.772 282 E N 0.760 120.902 120.200 -0.097 0.000 2.179 282 E HA 0.646 4.995 4.350 -0.003 0.000 0.275 282 E C -0.284 176.054 176.600 -0.438 0.000 0.945 282 E CA -0.215 56.052 56.400 -0.221 0.000 0.792 282 E CB 1.704 31.330 29.700 -0.123 0.000 1.125 282 E HN 0.512 nan 8.360 nan 0.000 0.397 283 A N 3.486 125.822 122.820 -0.807 0.000 2.488 283 A HA 0.124 4.442 4.320 -0.003 0.000 0.249 283 A C -0.357 176.838 177.584 -0.649 0.000 1.083 283 A CA -0.197 50.943 52.037 -1.495 0.000 0.768 283 A CB 0.361 18.724 19.000 -1.062 0.000 1.017 283 A HN 0.417 nan 8.150 nan 0.000 0.496 284 Q N 1.625 121.117 119.800 -0.514 0.000 2.325 284 Q HA 0.155 4.493 4.340 -0.003 0.000 0.270 284 Q C -0.002 175.923 176.000 -0.125 0.000 1.020 284 Q CA -0.506 55.168 55.803 -0.215 0.000 0.785 284 Q CB 1.758 30.414 28.738 -0.136 0.000 1.259 284 Q HN 0.927 nan 8.270 nan 0.000 0.452 285 D N 2.850 123.182 120.400 -0.113 0.000 2.158 285 D HA -0.178 4.460 4.640 -0.003 0.000 0.197 285 D C 1.158 177.417 176.300 -0.068 0.000 0.995 285 D CA 1.887 55.848 54.000 -0.065 0.000 0.846 285 D CB 0.527 41.275 40.800 -0.086 0.000 0.941 285 D HN 0.650 nan 8.370 nan 0.000 0.456 286 A N -1.292 121.440 122.820 -0.147 0.000 2.251 286 A HA 0.469 4.787 4.320 -0.003 0.000 0.209 286 A C 1.740 179.306 177.584 -0.031 0.000 1.187 286 A CA 0.899 52.841 52.037 -0.158 0.000 0.823 286 A CB -0.276 18.475 19.000 -0.415 0.000 0.846 286 A HN 0.443 nan 8.150 nan 0.000 0.486 287 G N -1.617 107.193 108.800 0.016 0.000 2.137 287 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.237 287 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.237 287 G C -0.035 175.031 174.900 0.278 0.000 1.002 287 G CA 0.750 45.956 45.100 0.177 0.000 0.702 287 G HN 2.118 nan 8.290 nan 0.000 0.515 288 Y N -3.590 116.731 120.300 0.035 0.000 2.927 288 Y HA 0.715 5.263 4.550 -0.003 0.000 0.392 288 Y C -1.124 174.738 175.900 -0.063 0.000 1.159 288 Y CA -1.034 57.069 58.100 0.005 0.000 1.220 288 Y CB 0.579 39.036 38.460 -0.004 0.000 1.506 288 Y HN 0.517 nan 8.280 nan 0.000 0.481 289 R N 2.731 123.283 120.500 0.087 0.000 2.560 289 R HA 0.575 4.913 4.340 -0.003 0.000 0.267 289 R C -2.242 173.978 176.300 -0.134 0.000 1.150 289 R CA -0.750 55.222 56.100 -0.212 0.000 0.997 289 R CB 1.532 31.582 30.300 -0.416 0.000 1.250 289 R HN 0.852 nan 8.270 nan 0.000 0.433 290 M N 3.771 123.283 119.600 -0.147 0.000 2.209 290 M HA 0.390 4.868 4.480 -0.003 0.000 0.355 290 M C -1.183 174.935 176.300 -0.303 0.000 1.171 290 M CA -0.100 55.139 55.300 -0.103 0.000 1.069 290 M CB 1.012 33.582 32.600 -0.049 0.000 1.622 290 M HN 0.424 nan 8.290 nan 0.000 0.459 291 Y N 0.761 121.034 120.300 -0.046 0.000 2.565 291 Y HA 0.552 5.100 4.550 -0.003 0.000 0.325 291 Y C 0.538 176.491 175.900 0.088 0.000 1.221 291 Y CA -0.821 57.264 58.100 -0.025 0.000 1.316 291 Y CB 0.553 38.890 38.460 -0.205 0.000 1.404 291 Y HN 0.486 nan 8.280 nan 0.000 0.527 292 R N 1.614 122.315 120.500 0.334 0.000 2.505 292 R HA -0.101 4.237 4.340 -0.003 0.000 0.274 292 R C -0.737 175.710 176.300 0.244 0.000 0.955 292 R CA 0.423 56.616 56.100 0.155 0.000 1.109 292 R CB 0.232 30.421 30.300 -0.186 0.000 0.890 292 R HN 0.591 nan 8.270 nan 0.000 0.415 293 K N 2.202 122.686 120.400 0.140 0.000 2.322 293 K HA 0.012 4.330 4.320 -0.003 0.000 0.283 293 K C -0.023 176.748 176.600 0.285 0.000 1.042 293 K CA -0.059 56.337 56.287 0.182 0.000 0.958 293 K CB 1.352 33.913 32.500 0.102 0.000 0.984 293 K HN 0.467 nan 8.250 nan 0.000 0.473 294 S N 2.433 118.324 115.700 0.318 0.000 2.515 294 S HA -0.077 4.391 4.470 -0.003 0.000 0.285 294 S C 1.295 176.022 174.600 0.211 0.000 1.265 294 S CA -0.045 58.327 58.200 0.287 0.000 1.079 294 S CB 0.653 63.983 63.200 0.216 0.000 0.877 294 S HN 0.674 nan 8.310 nan 0.000 0.493 295 Q N 3.216 123.141 119.800 0.209 0.000 2.133 295 Q HA -0.161 4.177 4.340 -0.003 0.000 0.208 295 Q C 1.713 177.770 176.000 0.095 0.000 0.991 295 Q CA 2.415 58.303 55.803 0.141 0.000 0.867 295 Q CB -0.297 28.516 28.738 0.126 0.000 0.911 295 Q HN 0.903 nan 8.270 nan 0.000 0.417 296 T N -0.663 113.938 114.554 0.079 0.000 2.770 296 T HA -0.118 4.231 4.350 -0.003 0.000 0.263 296 T C 1.879 176.617 174.700 0.062 0.000 1.039 296 T CA 1.779 63.911 62.100 0.053 0.000 1.142 296 T CB -0.323 68.563 68.868 0.031 0.000 0.868 296 T HN 0.606 nan 8.240 nan 0.000 0.435 297 T N -1.562 113.047 114.554 0.092 0.000 2.983 297 T HA 0.382 4.730 4.350 -0.003 0.000 0.250 297 T C 1.920 176.710 174.700 0.151 0.000 1.037 297 T CA 0.984 63.149 62.100 0.108 0.000 1.142 297 T CB -0.287 68.656 68.868 0.124 0.000 0.876 297 T HN 0.530 nan 8.240 nan 0.000 0.455 298 G N 1.086 109.991 108.800 0.174 0.000 2.141 298 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.242 298 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.242 298 G C -0.168 174.858 174.900 0.210 0.000 0.982 298 G CA 0.086 45.282 45.100 0.159 0.000 0.662 298 G HN 0.666 nan 8.290 nan 0.000 0.527 299 F N 1.194 121.198 119.950 0.089 0.000 2.458 299 F HA 0.682 5.207 4.527 -0.003 0.000 0.330 299 F C -2.213 173.670 175.800 0.138 0.000 1.082 299 F CA -2.699 55.361 58.000 0.100 0.000 0.995 299 F CB 1.827 40.884 39.000 0.095 0.000 1.170 299 F HN -0.133 nan 8.300 nan 0.000 0.478 300 P HA 0.030 nan 4.420 nan 0.000 0.265 300 P C 0.223 177.674 177.300 0.252 0.000 1.222 300 P CA 0.416 63.521 63.100 0.008 0.000 0.767 300 P CB 0.732 32.330 31.700 -0.169 0.000 0.801 301 S N 4.199 120.111 115.700 0.354 0.000 2.387 301 S HA -0.159 4.309 4.470 -0.003 0.000 0.230 301 S C 0.632 175.421 174.600 0.314 0.000 1.035 301 S CA 0.935 59.361 58.200 0.376 0.000 1.014 301 S CB -0.573 62.909 63.200 0.470 0.000 0.836 301 S HN 0.397 nan 8.310 nan 0.000 0.466 302 L N 0.099 121.488 121.223 0.277 0.000 2.408 302 L HA 0.705 5.043 4.340 -0.003 0.000 0.268 302 L C -1.520 175.486 176.870 0.225 0.000 0.986 302 L CA -0.781 54.130 54.840 0.118 0.000 0.820 302 L CB 1.959 43.886 42.059 -0.221 0.000 1.303 302 L HN 0.233 nan 8.230 nan 0.000 0.411 303 I N 3.619 124.279 120.570 0.151 0.000 2.466 303 I HA 0.438 4.606 4.170 -0.003 0.000 0.289 303 I C -0.573 175.637 176.117 0.154 0.000 1.026 303 I CA -0.376 61.026 61.300 0.169 0.000 1.078 303 I CB 2.304 40.322 38.000 0.029 0.000 1.249 303 I HN 0.563 nan 8.210 nan 0.000 0.429 304 T N 6.939 121.646 114.554 0.255 0.000 2.859 304 T HA 0.604 4.952 4.350 -0.003 0.000 0.281 304 T C -0.505 174.293 174.700 0.164 0.000 1.005 304 T CA -0.433 61.781 62.100 0.190 0.000 1.025 304 T CB 1.813 70.834 68.868 0.255 0.000 0.977 304 T HN 0.426 nan 8.240 nan 0.000 0.458 305 I N 2.895 123.541 120.570 0.126 0.000 2.534 305 I HA 0.522 4.690 4.170 -0.003 0.000 0.286 305 I C -1.863 174.349 176.117 0.159 0.000 1.094 305 I CA -0.992 60.393 61.300 0.142 0.000 1.055 305 I CB 0.887 38.921 38.000 0.056 0.000 1.225 305 I HN 0.541 nan 8.210 nan 0.000 0.435 306 F N 5.893 125.847 119.950 0.006 0.000 2.411 306 F HA 0.420 4.945 4.527 -0.003 0.000 0.352 306 F C 0.509 176.299 175.800 -0.016 0.000 1.123 306 F CA -0.084 57.886 58.000 -0.051 0.000 1.044 306 F CB 1.910 40.856 39.000 -0.089 0.000 1.135 306 F HN 0.363 nan 8.300 nan 0.000 0.461 307 S N 4.331 119.789 115.700 -0.403 0.000 2.537 307 S HA 0.497 4.966 4.470 -0.003 0.000 0.246 307 S C -0.039 174.362 174.600 -0.332 0.000 1.036 307 S CA -0.146 57.946 58.200 -0.180 0.000 1.041 307 S CB -0.126 63.044 63.200 -0.051 0.000 0.799 307 S HN 0.630 nan 8.310 nan 0.000 0.456 308 A N 3.542 125.994 122.820 -0.613 0.000 2.483 308 A HA 0.597 4.915 4.320 -0.003 0.000 0.308 308 A C -2.936 174.556 177.584 -0.153 0.000 1.291 308 A CA -1.783 50.015 52.037 -0.399 0.000 0.774 308 A CB 0.736 19.409 19.000 -0.546 0.000 1.134 308 A HN 0.129 nan 8.150 nan 0.000 0.471 309 P HA 0.086 nan 4.420 nan 0.000 0.276 309 P C -0.095 177.214 177.300 0.016 0.000 1.235 309 P CA 0.170 63.173 63.100 -0.161 0.000 0.772 309 P CB 0.519 31.979 31.700 -0.400 0.000 0.871 310 N N 1.769 120.515 118.700 0.078 0.000 2.641 310 N HA -0.262 4.476 4.740 -0.003 0.000 0.267 310 N C -0.956 174.656 175.510 0.171 0.000 1.087 310 N CA 0.362 53.489 53.050 0.129 0.000 0.731 310 N CB -1.786 36.752 38.487 0.085 0.000 0.886 310 N HN 0.369 nan 8.380 nan 0.000 0.547 311 Y N 2.919 123.231 120.300 0.020 0.000 2.620 311 Y HA 0.191 4.739 4.550 -0.003 0.000 0.330 311 Y C 1.455 177.243 175.900 -0.187 0.000 1.186 311 Y CA 0.669 58.690 58.100 -0.132 0.000 1.467 311 Y CB 0.111 38.386 38.460 -0.308 0.000 1.262 311 Y HN 0.389 nan 8.280 nan 0.000 0.550 312 L N 5.027 126.021 121.223 -0.382 0.000 4.429 312 L HA -0.444 3.894 4.340 -0.003 0.000 0.422 312 L C 0.466 177.243 176.870 -0.154 0.000 1.149 312 L CA 1.014 55.581 54.840 -0.455 0.000 0.972 312 L CB -1.125 40.487 42.059 -0.746 0.000 2.059 312 L HN 0.800 nan 8.230 nan 0.000 0.870 313 D N -2.305 118.085 120.400 -0.017 0.000 2.946 313 D HA -0.198 4.440 4.640 -0.003 0.000 0.202 313 D C 1.057 177.398 176.300 0.069 0.000 1.068 313 D CA 1.436 55.473 54.000 0.062 0.000 1.011 313 D CB -1.171 39.670 40.800 0.068 0.000 1.105 313 D HN 0.564 nan 8.370 nan 0.000 0.425 314 V N -4.035 115.938 119.914 0.098 0.000 3.497 314 V HA 0.177 4.295 4.120 -0.003 0.000 0.272 314 V C 1.893 178.078 176.094 0.152 0.000 1.474 314 V CA -0.081 62.281 62.300 0.103 0.000 1.025 314 V CB -0.493 31.370 31.823 0.067 0.000 0.820 314 V HN 0.001 nan 8.190 nan 0.000 0.437 315 Y N 2.085 122.373 120.300 -0.020 0.000 2.403 315 Y HA 0.041 4.589 4.550 -0.003 0.000 0.291 315 Y C 1.765 177.669 175.900 0.008 0.000 1.143 315 Y CA 1.068 59.171 58.100 0.005 0.000 1.257 315 Y CB -0.829 37.673 38.460 0.070 0.000 0.984 315 Y HN 0.573 nan 8.280 nan 0.000 0.550 316 N N 1.317 120.112 118.700 0.158 0.000 2.708 316 N HA -0.221 4.517 4.740 -0.003 0.000 0.249 316 N C -0.838 174.716 175.510 0.074 0.000 1.097 316 N CA 0.281 53.378 53.050 0.079 0.000 0.710 316 N CB -1.049 37.456 38.487 0.031 0.000 1.032 316 N HN 0.499 nan 8.380 nan 0.000 0.551 317 N N 0.622 119.397 118.700 0.126 0.000 2.487 317 N HA 0.237 4.975 4.740 -0.003 0.000 0.292 317 N C -0.689 174.847 175.510 0.044 0.000 1.108 317 N CA -0.206 52.901 53.050 0.095 0.000 0.956 317 N CB 1.333 39.919 38.487 0.165 0.000 1.176 317 N HN 0.114 nan 8.380 nan 0.000 0.484 318 K N 0.415 120.822 120.400 0.013 0.000 2.154 318 K HA 0.500 4.818 4.320 -0.003 0.000 0.264 318 K C -0.169 176.401 176.600 -0.051 0.000 1.008 318 K CA -0.633 55.634 56.287 -0.033 0.000 0.937 318 K CB 1.183 33.687 32.500 0.006 0.000 1.002 318 K HN 0.749 nan 8.250 nan 0.000 0.469 319 A N 0.965 123.635 122.820 -0.249 0.000 2.269 319 A HA 0.870 5.188 4.320 -0.003 0.000 0.327 319 A C -1.129 176.525 177.584 0.116 0.000 1.112 319 A CA -0.462 51.384 52.037 -0.318 0.000 0.865 319 A CB 1.317 19.591 19.000 -1.211 0.000 1.227 319 A HN 0.699 nan 8.150 nan 0.000 0.498 320 A N -0.613 122.441 122.820 0.390 0.000 2.594 320 A HA 0.613 4.931 4.320 -0.003 0.000 0.296 320 A C -0.620 177.098 177.584 0.223 0.000 1.056 320 A CA 0.146 52.423 52.037 0.399 0.000 0.693 320 A CB 0.542 19.714 19.000 0.287 0.000 1.278 320 A HN 2.240 nan 8.150 nan 0.000 0.408 321 V N -0.369 119.581 119.914 0.061 0.000 3.019 321 V HA 0.911 5.029 4.120 -0.003 0.000 0.317 321 V C -0.298 175.748 176.094 -0.079 0.000 1.094 321 V CA -0.948 61.315 62.300 -0.061 0.000 1.000 321 V CB 1.724 33.455 31.823 -0.152 0.000 1.060 321 V HN 1.326 nan 8.190 nan 0.000 0.443 322 L N 1.646 122.810 121.223 -0.098 0.000 2.333 322 L HA 0.648 4.986 4.340 -0.003 0.000 0.280 322 L C -0.438 176.381 176.870 -0.086 0.000 1.004 322 L CA -0.545 54.229 54.840 -0.110 0.000 0.820 322 L CB 1.529 43.514 42.059 -0.124 0.000 1.247 322 L HN 0.788 nan 8.230 nan 0.000 0.416 323 K N 5.458 125.818 120.400 -0.066 0.000 2.389 323 K HA 0.232 4.551 4.320 -0.003 0.000 0.261 323 K C -1.595 175.038 176.600 0.055 0.000 1.014 323 K CA -0.612 55.650 56.287 -0.042 0.000 0.920 323 K CB 1.396 33.853 32.500 -0.071 0.000 1.149 323 K HN 0.406 nan 8.250 nan 0.000 0.444 324 Y N 3.493 123.752 120.300 -0.068 0.000 2.595 324 Y HA 0.265 4.814 4.550 -0.003 0.000 0.336 324 Y C -0.619 175.280 175.900 -0.000 0.000 0.996 324 Y CA -0.915 57.178 58.100 -0.013 0.000 1.260 324 Y CB 0.433 38.903 38.460 0.016 0.000 1.108 324 Y HN 0.606 nan 8.280 nan 0.000 0.509 325 E N 3.549 123.610 120.200 -0.232 0.000 2.393 325 E HA 0.343 4.691 4.350 -0.003 0.000 0.273 325 E C -0.477 175.998 176.600 -0.210 0.000 0.918 325 E CA -0.723 55.492 56.400 -0.308 0.000 0.773 325 E CB 0.874 30.477 29.700 -0.162 0.000 1.275 325 E HN 0.577 nan 8.360 nan 0.000 0.451 326 N N 3.126 121.709 118.700 -0.196 0.000 2.708 326 N HA -0.297 4.442 4.740 -0.003 0.000 0.251 326 N C -0.674 174.822 175.510 -0.022 0.000 1.017 326 N CA 1.451 54.445 53.050 -0.093 0.000 0.742 326 N CB -1.532 36.925 38.487 -0.050 0.000 0.943 326 N HN 0.889 nan 8.380 nan 0.000 0.539 327 N N -1.920 116.769 118.700 -0.017 0.000 2.721 327 N HA -0.242 4.496 4.740 -0.003 0.000 0.249 327 N C -1.351 174.337 175.510 0.296 0.000 1.072 327 N CA 0.865 54.058 53.050 0.239 0.000 0.710 327 N CB -0.488 38.083 38.487 0.140 0.000 0.993 327 N HN 0.155 nan 8.380 nan 0.000 0.547 328 V N 1.936 122.024 119.914 0.290 0.000 2.524 328 V HA 0.298 4.417 4.120 -0.003 0.000 0.297 328 V C 0.217 176.497 176.094 0.310 0.000 1.035 328 V CA -0.497 61.949 62.300 0.243 0.000 0.867 328 V CB 1.738 33.627 31.823 0.110 0.000 1.004 328 V HN 0.145 nan 8.190 nan 0.000 0.426 329 M N 4.481 124.261 119.600 0.301 0.000 2.319 329 M HA 0.308 4.786 4.480 -0.003 0.000 0.343 329 M C -0.064 176.266 176.300 0.049 0.000 1.364 329 M CA 0.068 55.486 55.300 0.196 0.000 1.292 329 M CB 0.069 32.750 32.600 0.135 0.000 1.432 329 M HN 0.726 nan 8.290 nan 0.000 0.448 330 N N 4.171 122.883 118.700 0.021 0.000 2.422 330 N HA 0.355 5.093 4.740 -0.003 0.000 0.266 330 N C -1.038 174.410 175.510 -0.104 0.000 1.007 330 N CA -0.322 52.703 53.050 -0.042 0.000 0.941 330 N CB 0.781 39.254 38.487 -0.024 0.000 1.115 330 N HN 0.546 nan 8.380 nan 0.000 0.492 331 I N 3.598 124.061 120.570 -0.179 0.000 2.308 331 I HA 0.213 4.381 4.170 -0.003 0.000 0.293 331 I C 0.570 176.609 176.117 -0.131 0.000 1.078 331 I CA -0.548 60.600 61.300 -0.254 0.000 1.292 331 I CB 0.235 37.877 38.000 -0.597 0.000 1.423 331 I HN 0.251 nan 8.210 nan 0.000 0.493 332 R N 6.159 126.614 120.500 -0.075 0.000 2.254 332 R HA 0.400 4.738 4.340 -0.003 0.000 0.318 332 R C -0.473 175.880 176.300 0.089 0.000 1.031 332 R CA -0.384 55.706 56.100 -0.016 0.000 0.905 332 R CB 1.240 31.502 30.300 -0.063 0.000 1.050 332 R HN 0.601 nan 8.270 nan 0.000 0.456 333 Q N 2.880 122.769 119.800 0.149 0.000 2.309 333 Q HA 0.513 4.852 4.340 -0.003 0.000 0.264 333 Q C -0.781 175.438 176.000 0.364 0.000 1.008 333 Q CA -0.716 55.252 55.803 0.275 0.000 0.853 333 Q CB 1.980 30.838 28.738 0.200 0.000 1.314 333 Q HN 0.422 nan 8.270 nan 0.000 0.448 334 F N -1.097 118.872 119.950 0.033 0.000 2.643 334 F HA 0.614 5.139 4.527 -0.003 0.000 0.314 334 F C -0.896 174.927 175.800 0.038 0.000 1.096 334 F CA -1.335 56.681 58.000 0.027 0.000 0.953 334 F CB 0.960 39.967 39.000 0.012 0.000 1.345 334 F HN 0.295 nan 8.300 nan 0.000 0.468 335 N N 0.050 118.763 118.700 0.020 0.000 2.563 335 N HA 0.467 5.205 4.740 -0.003 0.000 0.288 335 N C -0.851 174.598 175.510 -0.102 0.000 1.246 335 N CA -0.229 52.773 53.050 -0.081 0.000 0.946 335 N CB 1.600 40.089 38.487 0.003 0.000 1.213 335 N HN 1.014 nan 8.380 nan 0.000 0.578 336 C N -0.605 118.656 119.300 -0.064 0.000 2.657 336 C HA 0.684 5.142 4.460 -0.003 0.000 0.404 336 C C 0.689 175.704 174.990 0.042 0.000 1.291 336 C CA -0.666 58.344 59.018 -0.013 0.000 2.218 336 C CB -0.406 27.345 27.740 0.018 0.000 2.687 336 C HN 0.527 nan 8.230 nan 0.000 0.634 337 S N 1.999 117.750 115.700 0.086 0.000 2.689 337 S HA 0.760 5.228 4.470 -0.003 0.000 0.306 337 S C -2.766 171.872 174.600 0.062 0.000 1.104 337 S CA -0.638 57.619 58.200 0.094 0.000 0.973 337 S CB 1.081 64.371 63.200 0.151 0.000 1.121 337 S HN 0.775 nan 8.310 nan 0.000 0.523 338 P HA 0.488 nan 4.420 nan 0.000 0.275 338 P C -1.128 176.054 177.300 -0.198 0.000 1.228 338 P CA -0.098 62.929 63.100 -0.122 0.000 0.786 338 P CB 0.299 31.942 31.700 -0.094 0.000 0.927 339 H N -0.941 117.971 119.070 -0.263 0.000 2.996 339 H HA 0.611 5.165 4.556 -0.003 0.000 0.368 339 H C -2.956 172.186 175.328 -0.311 0.000 1.185 339 H CA -2.669 53.002 56.048 -0.627 0.000 1.160 339 H CB -0.555 28.980 29.762 -0.378 0.000 1.820 339 H HN 0.128 nan 8.280 nan 0.000 0.547 340 P HA 0.028 nan 4.420 nan 0.000 0.267 340 P C -0.701 176.706 177.300 0.178 0.000 1.205 340 P CA -0.085 63.021 63.100 0.010 0.000 0.765 340 P CB 0.115 31.752 31.700 -0.105 0.000 0.828 341 Y N 2.412 122.669 120.300 -0.072 0.000 2.652 341 Y HA 0.207 4.755 4.550 -0.003 0.000 0.344 341 Y C -0.219 175.549 175.900 -0.219 0.000 1.254 341 Y CA 0.771 58.829 58.100 -0.069 0.000 1.480 341 Y CB 0.433 38.811 38.460 -0.136 0.000 1.345 341 Y HN 0.448 nan 8.280 nan 0.000 0.617 342 W N 6.307 127.130 121.300 -0.794 0.000 3.775 342 W HA 0.347 5.005 4.660 -0.003 0.000 0.315 342 W C -1.577 174.464 176.519 -0.795 0.000 1.169 342 W CA -0.819 56.141 57.345 -0.642 0.000 1.266 342 W CB 0.921 29.984 29.460 -0.663 0.000 1.269 342 W HN 0.318 nan 8.180 nan 0.000 0.471 343 L N 4.669 125.754 121.223 -0.230 0.000 2.476 343 L HA 0.282 4.621 4.340 -0.003 0.000 0.264 343 L C -1.703 174.941 176.870 -0.377 0.000 1.224 343 L CA -1.434 53.199 54.840 -0.344 0.000 0.821 343 L CB 0.224 42.002 42.059 -0.468 0.000 1.101 343 L HN 0.024 nan 8.230 nan 0.000 0.488 344 P HA -0.113 nan 4.420 nan 0.000 0.266 344 P C -0.155 176.990 177.300 -0.257 0.000 1.193 344 P CA 0.561 63.582 63.100 -0.132 0.000 0.770 344 P CB 0.176 31.877 31.700 0.001 0.000 0.836 345 N N 2.297 120.834 118.700 -0.272 0.000 2.710 345 N HA -0.243 4.495 4.740 -0.003 0.000 0.249 345 N C -0.673 174.792 175.510 -0.075 0.000 1.059 345 N CA -0.063 52.921 53.050 -0.111 0.000 0.720 345 N CB -1.299 37.184 38.487 -0.007 0.000 0.983 345 N HN 0.397 nan 8.380 nan 0.000 0.544 346 F N -2.821 116.696 119.950 -0.721 0.000 3.048 346 F HA -0.332 4.193 4.527 -0.003 0.000 0.269 346 F C 1.087 176.696 175.800 -0.317 0.000 0.960 346 F CA 0.648 58.201 58.000 -0.745 0.000 0.909 346 F CB -1.715 36.727 39.000 -0.929 0.000 0.837 346 F HN 0.340 nan 8.300 nan 0.000 0.768 347 M N 1.374 120.907 119.600 -0.113 0.000 2.240 347 M HA 0.107 4.585 4.480 -0.003 0.000 0.317 347 M C 0.629 176.941 176.300 0.020 0.000 1.087 347 M CA 0.512 55.800 55.300 -0.018 0.000 1.176 347 M CB 0.468 33.061 32.600 -0.011 0.000 1.439 347 M HN 0.328 nan 8.290 nan 0.000 0.452 348 D N 0.441 120.885 120.400 0.073 0.000 2.198 348 D HA 0.305 4.943 4.640 -0.003 0.000 0.247 348 D C 0.837 177.186 176.300 0.082 0.000 1.010 348 D CA -0.877 53.164 54.000 0.069 0.000 0.880 348 D CB 1.045 41.918 40.800 0.122 0.000 1.209 348 D HN 0.417 nan 8.370 nan 0.000 0.451 349 V N -0.542 119.352 119.914 -0.034 0.000 2.944 349 V HA -0.185 3.934 4.120 -0.003 0.000 0.265 349 V C 1.179 177.335 176.094 0.103 0.000 1.125 349 V CA 1.116 63.454 62.300 0.064 0.000 1.145 349 V CB -1.342 30.430 31.823 -0.084 0.000 0.725 349 V HN 0.506 nan 8.190 nan 0.000 0.510 350 F N 1.422 121.490 119.950 0.197 0.000 2.179 350 F HA 0.067 4.592 4.527 -0.003 0.000 0.292 350 F C 2.711 178.603 175.800 0.154 0.000 1.089 350 F CA 1.601 59.691 58.000 0.150 0.000 1.295 350 F CB -1.432 37.630 39.000 0.103 0.000 1.041 350 F HN 0.043 nan 8.300 nan 0.000 0.487 351 T N -0.540 114.232 114.554 0.363 0.000 2.720 351 T HA -0.259 4.090 4.350 -0.003 0.000 0.268 351 T C 1.632 176.499 174.700 0.279 0.000 1.037 351 T CA 1.598 63.851 62.100 0.255 0.000 1.144 351 T CB -0.625 68.365 68.868 0.202 0.000 0.864 351 T HN 0.413 nan 8.240 nan 0.000 0.444 352 W N 2.439 123.791 121.300 0.087 0.000 2.333 352 W HA -0.185 4.474 4.660 -0.002 0.000 0.316 352 W C 2.750 179.312 176.519 0.071 0.000 1.215 352 W CA 1.775 59.154 57.345 0.057 0.000 1.278 352 W CB -0.703 28.771 29.460 0.024 0.000 1.154 352 W HN 0.316 nan 8.180 nan 0.000 0.486 353 S N -0.972 114.764 115.700 0.060 0.000 2.486 353 S HA -0.069 4.400 4.470 -0.003 0.000 0.220 353 S C 1.825 176.471 174.600 0.077 0.000 1.011 353 S CA 0.687 58.829 58.200 -0.097 0.000 0.921 353 S CB -0.745 62.431 63.200 -0.040 0.000 0.785 353 S HN 0.132 nan 8.310 nan 0.000 0.517 354 L N 2.615 123.919 121.223 0.134 0.000 2.089 354 L HA 0.013 4.351 4.340 -0.003 0.000 0.213 354 L C -0.936 175.979 176.870 0.076 0.000 1.079 354 L CA 1.750 56.659 54.840 0.116 0.000 0.758 354 L CB -1.136 40.997 42.059 0.123 0.000 0.891 354 L HN 0.252 nan 8.230 nan 0.000 0.433 355 P HA -0.156 nan 4.420 nan 0.000 0.217 355 P C 1.597 178.933 177.300 0.061 0.000 1.154 355 P CA 1.028 64.160 63.100 0.054 0.000 0.841 355 P CB -0.086 31.646 31.700 0.055 0.000 0.788 356 F N 0.238 120.129 119.950 -0.099 0.000 2.102 356 F HA -0.177 4.349 4.527 -0.001 0.000 0.298 356 F C 1.950 177.703 175.800 -0.078 0.000 1.105 356 F CA 1.359 59.289 58.000 -0.116 0.000 1.239 356 F CB -0.909 37.969 39.000 -0.204 0.000 0.991 356 F HN -0.314 nan 8.300 nan 0.000 0.474 357 V N 0.440 120.369 119.914 0.025 0.000 2.220 357 V HA -0.257 3.861 4.120 -0.003 0.000 0.246 357 V C 2.712 178.748 176.094 -0.096 0.000 1.049 357 V CA 2.090 64.359 62.300 -0.052 0.000 1.003 357 V CB -1.753 30.097 31.823 0.045 0.000 0.634 357 V HN 0.493 nan 8.190 nan 0.000 0.444 358 G N -0.345 108.430 108.800 -0.042 0.000 2.615 358 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.213 358 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.213 358 G C 1.365 176.221 174.900 -0.074 0.000 1.135 358 G CA 1.210 46.283 45.100 -0.045 0.000 0.772 358 G HN 0.708 nan 8.290 nan 0.000 0.542 359 E N -0.230 119.894 120.200 -0.127 0.000 2.256 359 E HA 0.115 4.463 4.350 -0.003 0.000 0.198 359 E C 2.225 178.714 176.600 -0.184 0.000 0.908 359 E CA 0.299 56.617 56.400 -0.137 0.000 0.915 359 E CB -0.152 29.464 29.700 -0.139 0.000 0.890 359 E HN 0.009 nan 8.360 nan 0.000 0.484 360 K N 0.998 121.221 120.400 -0.296 0.000 2.057 360 K HA -0.043 4.276 4.320 -0.003 0.000 0.206 360 K C 2.314 178.810 176.600 -0.172 0.000 1.050 360 K CA 1.563 57.676 56.287 -0.290 0.000 0.935 360 K CB -0.846 31.381 32.500 -0.455 0.000 0.715 360 K HN 0.341 nan 8.250 nan 0.000 0.439 361 V N -0.874 118.956 119.914 -0.141 0.000 2.427 361 V HA -0.174 3.944 4.120 -0.003 0.000 0.248 361 V C 2.028 178.079 176.094 -0.072 0.000 1.051 361 V CA 2.116 64.364 62.300 -0.087 0.000 1.048 361 V CB -1.181 30.605 31.823 -0.062 0.000 0.666 361 V HN 0.106 nan 8.190 nan 0.000 0.456 362 T N 0.212 114.721 114.554 -0.075 0.000 2.746 362 T HA -0.185 4.164 4.350 -0.003 0.000 0.267 362 T C 1.829 176.494 174.700 -0.058 0.000 1.039 362 T CA 2.073 64.139 62.100 -0.057 0.000 1.142 362 T CB -0.311 68.525 68.868 -0.053 0.000 0.866 362 T HN 0.790 nan 8.240 nan 0.000 0.444 363 E N 0.540 120.695 120.200 -0.075 0.000 2.085 363 E HA -0.171 4.177 4.350 -0.003 0.000 0.194 363 E C 2.226 178.792 176.600 -0.057 0.000 0.994 363 E CA 1.097 57.456 56.400 -0.069 0.000 0.801 363 E CB -0.203 29.443 29.700 -0.090 0.000 0.743 363 E HN 0.480 nan 8.360 nan 0.000 0.453 364 M N 0.467 120.030 119.600 -0.062 0.000 2.086 364 M HA -0.182 4.296 4.480 -0.003 0.000 0.261 364 M C 2.078 178.356 176.300 -0.037 0.000 1.067 364 M CA 1.458 56.729 55.300 -0.048 0.000 1.116 364 M CB -0.063 32.507 32.600 -0.050 0.000 1.348 364 M HN 0.188 nan 8.290 nan 0.000 0.407 365 L N -0.322 120.879 121.223 -0.036 0.000 2.083 365 L HA -0.176 4.162 4.340 -0.003 0.000 0.209 365 L C 2.415 179.270 176.870 -0.025 0.000 1.083 365 L CA 0.806 55.629 54.840 -0.028 0.000 0.752 365 L CB -0.820 41.223 42.059 -0.027 0.000 0.899 365 L HN 0.213 nan 8.230 nan 0.000 0.433 366 V N 0.573 120.470 119.914 -0.028 0.000 2.469 366 V HA -0.292 3.826 4.120 -0.003 0.000 0.251 366 V C 1.910 177.991 176.094 -0.022 0.000 1.064 366 V CA 2.122 64.407 62.300 -0.024 0.000 1.066 366 V CB -0.756 31.051 31.823 -0.027 0.000 0.667 366 V HN 0.580 nan 8.190 nan 0.000 0.461 367 N N -0.694 117.992 118.700 -0.024 0.000 2.376 367 N HA -0.048 4.690 4.740 -0.003 0.000 0.177 367 N C 1.663 177.162 175.510 -0.018 0.000 1.024 367 N CA 0.669 53.707 53.050 -0.020 0.000 0.893 367 N CB 0.161 38.635 38.487 -0.023 0.000 0.980 367 N HN 0.298 nan 8.380 nan 0.000 0.439 368 V N 1.540 121.443 119.914 -0.019 0.000 2.548 368 V HA -0.089 4.029 4.120 -0.003 0.000 0.249 368 V C 1.922 178.008 176.094 -0.014 0.000 1.055 368 V CA 1.272 63.563 62.300 -0.016 0.000 1.065 368 V CB -0.251 31.562 31.823 -0.017 0.000 0.681 368 V HN 0.306 nan 8.190 nan 0.000 0.462 369 L N -0.483 120.731 121.223 -0.014 0.000 2.446 369 L HA 0.114 4.452 4.340 -0.003 0.000 0.219 369 L C 1.537 178.401 176.870 -0.011 0.000 1.116 369 L CA 0.639 55.472 54.840 -0.012 0.000 0.844 369 L CB -0.334 41.717 42.059 -0.013 0.000 0.970 369 L HN 0.341 nan 8.230 nan 0.000 0.457 370 N N 0.482 119.175 118.700 -0.012 0.000 2.322 370 N HA 0.083 4.822 4.740 -0.003 0.000 0.216 370 N C 0.486 175.990 175.510 -0.010 0.000 1.144 370 N CA -0.087 52.957 53.050 -0.011 0.000 0.830 370 N CB 0.696 39.176 38.487 -0.011 0.000 1.034 370 N HN 0.153 nan 8.380 nan 0.000 0.484 371 I N 0.000 120.564 120.570 -0.010 0.000 2.984 371 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 371 I CA 0.000 61.295 61.300 -0.009 0.000 1.566 371 I CB 0.000 37.995 38.000 -0.009 0.000 1.214 371 I HN 0.000 nan 8.210 nan 0.000 0.494