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 2nuu_1_C DATA FIRST_RESID -2 DATA SEQUENCE HHHHHAVADK ADNAFMMICT ALVLFMTIPG IALFYGGLIR GKNVLSMLTQ DATA SEQUENCE VTVTFALVCI LWVVYGYSLA FGEGNNFFGN INWLMLKNIE LTAVMGSIYQ DATA SEQUENCE YIHVAFQGSF ACITVGLIVG ALAERIRFSA VLIFVVVWLT LSYIPIAHMV DATA SEQUENCE WGGGLLASHG ALDFAGGTVV HINAAIAGLV GAYLIGKRVG FGKEAFKPHN DATA SEQUENCE LPMVFTGTAI LYIGWFGFNA GSAGTANEIA ALAFVNTVVA TAAAILGWIF DATA SEQUENCE GEWALRGKPS LLGACSGAIA GLVGVTPACG YIGVGGALII GVVAGLAGLW DATA SEQUENCE GVTMLKRLLR VDDPCDVFGV HGVCGIVGCI MTGIFAASSL GGVGFAEGVT DATA SEQUENCE MGHQLLVQLE SIAITIVWSG VVAFIGYKLA DLTVGLRVPE EQEREGLDVN DATA SEQUENCE SHGENAYNA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.426 175.328 0.164 0.000 0.993 -2 H CA 0.000 56.115 56.048 0.112 0.000 1.023 -2 H CB 0.000 29.768 29.762 0.010 0.000 1.292 -1 H N -0.028 119.187 119.070 0.242 0.000 2.426 -1 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 -1 H C 1.656 177.087 175.328 0.173 0.000 1.107 -1 H CA 2.281 58.429 56.048 0.167 0.000 1.298 -1 H CB -0.123 29.720 29.762 0.135 0.000 1.377 -1 H HN 0.515 nan 8.280 nan 0.000 0.519 0 H N -0.742 118.018 119.070 -0.517 0.000 2.543 0 H HA 0.070 4.626 4.556 -0.000 0.000 0.269 0 H C -0.036 175.205 175.328 -0.145 0.000 1.005 0 H CA 0.151 56.050 56.048 -0.248 0.000 1.146 0 H CB -1.503 28.105 29.762 -0.258 0.000 1.353 0 H HN 0.636 nan 8.280 nan 0.000 0.595 1 H N 2.499 121.222 119.070 -0.578 0.000 2.732 1 H HA 0.251 4.807 4.556 0.000 0.000 0.351 1 H C 0.163 175.383 175.328 -0.181 0.000 1.090 1 H CA -0.038 55.648 56.048 -0.603 0.000 1.431 1 H CB 0.358 29.625 29.762 -0.825 0.000 1.447 1 H HN 0.555 nan 8.280 nan 0.000 0.582 2 H N 1.953 120.444 119.070 -0.965 0.000 3.016 2 H HA 0.620 5.176 4.556 0.000 0.000 0.362 2 H C -1.269 173.665 175.328 -0.657 0.000 1.233 2 H CA -0.855 54.813 56.048 -0.633 0.000 1.124 2 H CB 0.720 30.315 29.762 -0.279 0.000 1.850 2 H HN 0.763 nan 8.280 nan 0.000 0.549 3 A N 1.422 124.072 122.820 -0.283 0.000 2.332 3 A HA 0.476 4.796 4.320 0.000 0.000 0.258 3 A C -0.258 177.283 177.584 -0.072 0.000 1.087 3 A CA -0.441 51.484 52.037 -0.186 0.000 0.802 3 A CB 0.926 19.872 19.000 -0.090 0.000 1.042 3 A HN 0.449 nan 8.150 nan 0.000 0.489 4 V N 0.626 120.482 119.914 -0.097 0.000 2.581 4 V HA 0.636 4.756 4.120 0.000 0.000 0.303 4 V C 0.584 176.584 176.094 -0.156 0.000 1.041 4 V CA -0.083 62.169 62.300 -0.080 0.000 0.907 4 V CB 1.493 33.277 31.823 -0.066 0.000 0.994 4 V HN 1.353 nan 8.190 nan 0.000 0.442 5 A N 4.179 126.830 122.820 -0.281 0.000 2.371 5 A HA 0.438 4.758 4.320 0.000 0.000 0.257 5 A C -0.147 177.299 177.584 -0.230 0.000 1.089 5 A CA -0.242 51.542 52.037 -0.421 0.000 0.794 5 A CB 0.337 18.699 19.000 -1.064 0.000 1.029 5 A HN 0.835 nan 8.150 nan 0.000 0.488 6 D N 1.547 121.841 120.400 -0.176 0.000 2.329 6 D HA 0.191 4.831 4.640 0.000 0.000 0.232 6 D C 0.750 177.007 176.300 -0.071 0.000 1.088 6 D CA -0.336 53.606 54.000 -0.097 0.000 0.835 6 D CB 0.914 41.668 40.800 -0.077 0.000 1.078 6 D HN 0.516 nan 8.370 nan 0.000 0.495 7 K N 2.286 122.665 120.400 -0.036 0.000 2.152 7 K HA -0.168 4.152 4.320 0.000 0.000 0.206 7 K C 1.663 178.272 176.600 0.014 0.000 1.048 7 K CA 1.128 57.418 56.287 0.004 0.000 0.933 7 K CB 0.088 32.600 32.500 0.021 0.000 0.721 7 K HN 0.439 nan 8.250 nan 0.000 0.447 8 A N 2.220 125.040 122.820 -0.001 0.000 1.858 8 A HA -0.196 4.124 4.320 0.000 0.000 0.216 8 A C 1.718 179.330 177.584 0.047 0.000 1.190 8 A CA 1.819 53.861 52.037 0.008 0.000 0.617 8 A CB -0.377 18.605 19.000 -0.030 0.000 0.827 8 A HN 0.173 nan 8.150 nan 0.000 0.443 9 D N 0.129 120.541 120.400 0.020 0.000 2.144 9 D HA -0.125 4.515 4.640 0.000 0.000 0.199 9 D C 1.619 177.961 176.300 0.069 0.000 0.984 9 D CA 1.057 55.093 54.000 0.059 0.000 0.834 9 D CB -0.410 40.386 40.800 -0.005 0.000 0.955 9 D HN 0.344 nan 8.370 nan 0.000 0.465 10 N N 0.852 119.570 118.700 0.030 0.000 2.084 10 N HA -0.113 4.627 4.740 0.000 0.000 0.190 10 N C 1.777 177.324 175.510 0.062 0.000 1.030 10 N CA 1.414 54.492 53.050 0.046 0.000 0.849 10 N CB -0.380 38.152 38.487 0.074 0.000 1.012 10 N HN 0.135 nan 8.380 nan 0.000 0.423 11 A N 0.609 123.476 122.820 0.077 0.000 1.873 11 A HA -0.114 4.206 4.320 0.000 0.000 0.215 11 A C 2.149 179.793 177.584 0.101 0.000 1.186 11 A CA 0.960 53.044 52.037 0.078 0.000 0.616 11 A CB -1.048 17.998 19.000 0.077 0.000 0.823 11 A HN 0.261 nan 8.150 nan 0.000 0.442 12 F N 0.399 120.336 119.950 -0.022 0.000 2.065 12 F HA -0.252 4.276 4.527 0.000 0.000 0.298 12 F C 2.243 178.016 175.800 -0.045 0.000 1.112 12 F CA 2.211 60.197 58.000 -0.024 0.000 1.212 12 F CB -0.282 38.696 39.000 -0.036 0.000 0.975 12 F HN 0.113 nan 8.300 nan 0.000 0.476 13 M N -0.571 118.934 119.600 -0.157 0.000 2.229 13 M HA -0.200 4.280 4.480 0.000 0.000 0.264 13 M C 2.277 178.462 176.300 -0.191 0.000 1.063 13 M CA 1.469 56.575 55.300 -0.325 0.000 1.114 13 M CB -1.269 31.184 32.600 -0.245 0.000 1.387 13 M HN 0.310 nan 8.290 nan 0.000 0.420 14 M N -0.597 118.958 119.600 -0.074 0.000 2.200 14 M HA -0.141 4.339 4.480 0.000 0.000 0.265 14 M C 1.843 178.129 176.300 -0.024 0.000 1.066 14 M CA 0.969 56.260 55.300 -0.016 0.000 1.127 14 M CB -0.184 32.425 32.600 0.015 0.000 1.379 14 M HN 0.102 nan 8.290 nan 0.000 0.420 15 I N -0.268 120.269 120.570 -0.055 0.000 2.315 15 I HA -0.251 3.919 4.170 0.000 0.000 0.248 15 I C 2.484 178.565 176.117 -0.060 0.000 1.117 15 I CA 1.165 62.437 61.300 -0.047 0.000 1.404 15 I CB -1.623 36.364 38.000 -0.022 0.000 1.071 15 I HN 0.382 nan 8.210 nan 0.000 0.419 16 C N 0.692 119.891 119.300 -0.168 0.000 2.432 16 C HA -0.158 4.302 4.460 0.000 0.000 0.277 16 C C 3.002 178.079 174.990 0.146 0.000 1.249 16 C CA 1.501 60.464 59.018 -0.093 0.000 1.725 16 C CB -1.134 26.390 27.740 -0.359 0.000 2.028 16 C HN 0.521 nan 8.230 nan 0.000 0.477 17 T N 1.329 115.988 114.554 0.176 0.000 2.684 17 T HA -0.190 4.160 4.350 0.000 0.000 0.267 17 T C 2.094 176.877 174.700 0.137 0.000 1.036 17 T CA 1.843 64.091 62.100 0.246 0.000 1.148 17 T CB -0.511 68.468 68.868 0.185 0.000 0.863 17 T HN 0.655 nan 8.240 nan 0.000 0.436 18 A N 1.087 123.956 122.820 0.082 0.000 1.902 18 A HA -0.000 4.320 4.320 0.000 0.000 0.217 18 A C 2.331 179.960 177.584 0.075 0.000 1.181 18 A CA 1.249 53.318 52.037 0.053 0.000 0.623 18 A CB -0.860 18.141 19.000 0.000 0.000 0.818 18 A HN 0.483 nan 8.150 nan 0.000 0.443 19 L N -0.529 120.749 121.223 0.091 0.000 2.093 19 L HA -0.146 4.194 4.340 0.000 0.000 0.208 19 L C 2.457 179.433 176.870 0.177 0.000 1.085 19 L CA 0.993 55.930 54.840 0.161 0.000 0.755 19 L CB -0.436 41.718 42.059 0.158 0.000 0.904 19 L HN 0.257 nan 8.230 nan 0.000 0.435 20 V N -0.168 119.821 119.914 0.124 0.000 2.515 20 V HA -0.242 3.878 4.120 0.000 0.000 0.250 20 V C 2.266 178.360 176.094 0.000 0.000 1.058 20 V CA 1.368 63.684 62.300 0.027 0.000 1.064 20 V CB -0.372 31.451 31.823 0.000 0.000 0.675 20 V HN 0.357 nan 8.190 nan 0.000 0.461 21 L N -1.399 119.872 121.223 0.079 0.000 2.156 21 L HA -0.076 4.264 4.340 0.000 0.000 0.208 21 L C 2.345 179.254 176.870 0.065 0.000 1.095 21 L CA 1.106 56.006 54.840 0.101 0.000 0.770 21 L CB -0.548 41.610 42.059 0.165 0.000 0.914 21 L HN 0.307 nan 8.230 nan 0.000 0.439 22 F N 0.946 120.849 119.950 -0.079 0.000 2.216 22 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 22 F C 2.330 178.050 175.800 -0.132 0.000 1.085 22 F CA 1.368 59.311 58.000 -0.095 0.000 1.326 22 F CB -0.301 38.670 39.000 -0.049 0.000 1.027 22 F HN 0.004 nan 8.300 nan 0.000 0.497 23 M N -0.897 118.608 119.600 -0.159 0.000 2.159 23 M HA -0.203 4.277 4.480 0.000 0.000 0.263 23 M C 1.810 177.924 176.300 -0.311 0.000 1.063 23 M CA 2.207 57.319 55.300 -0.314 0.000 1.110 23 M CB -0.654 31.728 32.600 -0.363 0.000 1.374 23 M HN 0.032 nan 8.290 nan 0.000 0.411 24 T N 0.120 114.528 114.554 -0.243 0.000 2.866 24 T HA 0.166 4.516 4.350 0.000 0.000 0.250 24 T C 0.867 175.389 174.700 -0.297 0.000 1.033 24 T CA 0.565 62.521 62.100 -0.239 0.000 1.145 24 T CB 0.282 69.064 68.868 -0.144 0.000 0.866 24 T HN 0.069 nan 8.240 nan 0.000 0.434 25 I N 3.423 123.789 120.570 -0.340 0.000 2.412 25 I HA 0.288 4.458 4.170 0.000 0.000 0.279 25 I C -2.220 173.816 176.117 -0.135 0.000 1.063 25 I CA -2.539 58.571 61.300 -0.316 0.000 1.193 25 I CB 0.853 38.545 38.000 -0.513 0.000 1.370 25 I HN 0.083 nan 8.210 nan 0.000 0.479 26 P HA 0.175 nan 4.420 nan 0.000 0.300 26 P C 1.277 178.438 177.300 -0.231 0.000 1.349 26 P CA 0.174 63.162 63.100 -0.187 0.000 1.054 26 P CB 1.263 32.896 31.700 -0.113 0.000 1.548 27 G N 2.340 110.930 108.800 -0.351 0.000 2.853 27 G HA2 -0.351 3.609 3.960 0.000 0.000 0.234 27 G HA3 -0.351 3.609 3.960 0.000 0.000 0.234 27 G C 1.301 176.051 174.900 -0.251 0.000 1.198 27 G CA 1.530 46.419 45.100 -0.352 0.000 0.767 27 G HN 0.302 nan 8.290 nan 0.000 0.657 28 I N 1.774 122.170 120.570 -0.289 0.000 2.493 28 I HA 0.100 4.270 4.170 0.000 0.000 0.254 28 I C 2.972 178.948 176.117 -0.236 0.000 1.160 28 I CA 1.309 62.398 61.300 -0.352 0.000 1.445 28 I CB -0.356 37.392 38.000 -0.421 0.000 1.086 28 I HN 0.262 nan 8.210 nan 0.000 0.433 29 A N 0.042 122.787 122.820 -0.125 0.000 1.898 29 A HA -0.111 4.209 4.320 0.000 0.000 0.216 29 A C 2.264 179.862 177.584 0.023 0.000 1.181 29 A CA 1.547 53.571 52.037 -0.022 0.000 0.620 29 A CB -0.813 18.159 19.000 -0.046 0.000 0.819 29 A HN 0.437 nan 8.150 nan 0.000 0.442 30 L N -2.194 119.024 121.223 -0.009 0.000 2.027 30 L HA -0.109 4.231 4.340 0.000 0.000 0.206 30 L C 2.469 179.374 176.870 0.059 0.000 1.074 30 L CA 1.437 56.290 54.840 0.022 0.000 0.745 30 L CB -0.621 41.430 42.059 -0.013 0.000 0.898 30 L HN 0.471 nan 8.230 nan 0.000 0.433 31 F N 0.327 120.207 119.950 -0.117 0.000 2.025 31 F HA -0.334 4.193 4.527 0.000 0.000 0.297 31 F C 2.494 178.322 175.800 0.048 0.000 1.132 31 F CA 1.823 59.762 58.000 -0.102 0.000 1.191 31 F CB -0.466 38.392 39.000 -0.237 0.000 0.963 31 F HN -0.039 nan 8.300 nan 0.000 0.481 32 Y N 0.623 120.983 120.300 0.100 0.000 2.293 32 Y HA 0.017 4.567 4.550 -0.000 0.000 0.291 32 Y C 2.698 178.594 175.900 -0.007 0.000 1.137 32 Y CA 0.582 58.685 58.100 0.005 0.000 1.202 32 Y CB -1.625 36.887 38.460 0.087 0.000 0.990 32 Y HN 0.167 nan 8.280 nan 0.000 0.537 33 G N -0.405 108.508 108.800 0.187 0.000 2.440 33 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 33 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 33 G C 2.071 177.103 174.900 0.220 0.000 1.154 33 G CA 0.964 46.167 45.100 0.172 0.000 0.767 33 G HN 0.508 nan 8.290 nan 0.000 0.552 34 G N 0.406 109.254 108.800 0.080 0.000 2.448 34 G HA2 -0.014 3.946 3.960 0.000 0.000 0.218 34 G HA3 -0.014 3.946 3.960 0.000 0.000 0.218 34 G C 1.731 176.612 174.900 -0.032 0.000 1.135 34 G CA 0.368 45.435 45.100 -0.055 0.000 0.784 34 G HN 0.426 nan 8.290 nan 0.000 0.543 35 L N 0.518 121.721 121.223 -0.033 0.000 2.240 35 L HA 0.229 4.569 4.340 0.000 0.000 0.211 35 L C 1.599 178.506 176.870 0.061 0.000 1.106 35 L CA 0.106 54.922 54.840 -0.041 0.000 0.793 35 L CB -0.285 41.706 42.059 -0.113 0.000 0.927 35 L HN 0.356 nan 8.230 nan 0.000 0.446 36 I N -2.903 117.741 120.570 0.124 0.000 3.062 36 I HA 0.326 4.496 4.170 0.000 0.000 0.318 36 I C 0.472 176.707 176.117 0.196 0.000 1.026 36 I CA -1.004 60.375 61.300 0.131 0.000 1.096 36 I CB 0.731 38.779 38.000 0.080 0.000 1.348 36 I HN -0.135 nan 8.210 nan 0.000 0.543 37 R N 1.111 121.686 120.500 0.124 0.000 2.774 37 R HA 0.189 4.529 4.340 0.000 0.000 0.269 37 R C 1.387 177.596 176.300 -0.152 0.000 1.068 37 R CA 0.576 56.714 56.100 0.063 0.000 1.180 37 R CB 0.402 30.740 30.300 0.065 0.000 1.077 37 R HN 0.940 nan 8.270 nan 0.000 0.513 38 G N 1.427 110.078 108.800 -0.247 0.000 2.448 38 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 38 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 38 G C 0.997 175.782 174.900 -0.191 0.000 1.127 38 G CA 0.726 45.574 45.100 -0.420 0.000 0.766 38 G HN 0.663 nan 8.290 nan 0.000 0.552 39 K N -0.236 120.110 120.400 -0.090 0.000 2.504 39 K HA 0.111 4.431 4.320 0.000 0.000 0.195 39 K C 1.031 177.604 176.600 -0.045 0.000 1.036 39 K CA 0.836 57.093 56.287 -0.050 0.000 0.984 39 K CB 0.071 32.560 32.500 -0.019 0.000 0.788 39 K HN 0.137 nan 8.250 nan 0.000 0.488 40 N N 0.546 119.211 118.700 -0.058 0.000 2.166 40 N HA -0.034 4.706 4.740 0.000 0.000 0.213 40 N C 1.350 176.840 175.510 -0.033 0.000 1.222 40 N CA 0.094 53.133 53.050 -0.018 0.000 0.900 40 N CB 0.813 39.310 38.487 0.017 0.000 1.055 40 N HN -0.010 nan 8.380 nan 0.000 0.515 41 V N 1.866 121.718 119.914 -0.103 0.000 2.317 41 V HA -0.202 3.918 4.120 0.000 0.000 0.251 41 V C 1.994 178.052 176.094 -0.061 0.000 1.065 41 V CA 1.641 63.900 62.300 -0.069 0.000 1.049 41 V CB -0.272 31.485 31.823 -0.110 0.000 0.651 41 V HN 0.221 nan 8.190 nan 0.000 0.450 42 L N 0.563 121.722 121.223 -0.108 0.000 2.131 42 L HA -0.124 4.216 4.340 0.000 0.000 0.210 42 L C 2.764 179.516 176.870 -0.198 0.000 1.092 42 L CA 1.797 56.549 54.840 -0.147 0.000 0.759 42 L CB -0.822 41.142 42.059 -0.159 0.000 0.903 42 L HN 0.620 nan 8.230 nan 0.000 0.435 43 S N -0.210 115.440 115.700 -0.084 0.000 2.383 43 S HA -0.255 4.215 4.470 0.000 0.000 0.227 43 S C 1.975 176.589 174.600 0.022 0.000 1.026 43 S CA 1.237 59.429 58.200 -0.012 0.000 0.981 43 S CB -0.373 62.958 63.200 0.219 0.000 0.818 43 S HN 0.298 nan 8.310 nan 0.000 0.472 44 M N 2.080 121.701 119.600 0.035 0.000 2.117 44 M HA 0.174 4.654 4.480 0.000 0.000 0.262 44 M C 1.889 178.222 176.300 0.055 0.000 1.065 44 M CA 1.455 56.801 55.300 0.077 0.000 1.114 44 M CB -0.912 31.749 32.600 0.101 0.000 1.361 44 M HN 0.389 nan 8.290 nan 0.000 0.408 45 L N -1.344 119.874 121.223 -0.008 0.000 2.093 45 L HA -0.174 4.166 4.340 0.000 0.000 0.208 45 L C 2.100 178.944 176.870 -0.045 0.000 1.085 45 L CA 1.615 56.436 54.840 -0.031 0.000 0.755 45 L CB -1.512 40.510 42.059 -0.062 0.000 0.904 45 L HN 0.306 nan 8.230 nan 0.000 0.435 46 T N -1.176 113.301 114.554 -0.129 0.000 2.857 46 T HA -0.180 4.170 4.350 0.000 0.000 0.266 46 T C 1.922 176.733 174.700 0.185 0.000 1.048 46 T CA 1.042 63.066 62.100 -0.125 0.000 1.139 46 T CB -0.130 68.377 68.868 -0.602 0.000 0.874 46 T HN 0.336 nan 8.240 nan 0.000 0.455 47 Q N 0.294 120.242 119.800 0.247 0.000 2.050 47 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 47 Q C 2.572 178.685 176.000 0.189 0.000 0.980 47 Q CA 1.197 57.190 55.803 0.317 0.000 0.840 47 Q CB -0.326 28.561 28.738 0.249 0.000 0.898 47 Q HN 0.345 nan 8.270 nan 0.000 0.424 48 V N 0.228 120.222 119.914 0.134 0.000 2.358 48 V HA -0.238 3.882 4.120 0.000 0.000 0.246 48 V C 2.151 178.310 176.094 0.110 0.000 1.047 48 V CA 2.108 64.468 62.300 0.100 0.000 1.035 48 V CB -0.806 31.046 31.823 0.047 0.000 0.658 48 V HN 0.427 nan 8.190 nan 0.000 0.452 49 T N 0.236 114.840 114.554 0.083 0.000 2.708 49 T HA -0.154 4.196 4.350 0.000 0.000 0.266 49 T C 1.937 176.763 174.700 0.209 0.000 1.037 49 T CA 1.760 63.917 62.100 0.095 0.000 1.146 49 T CB -0.251 68.638 68.868 0.037 0.000 0.865 49 T HN 0.291 nan 8.240 nan 0.000 0.435 50 V N 2.273 122.316 119.914 0.215 0.000 2.548 50 V HA -0.144 3.976 4.120 0.000 0.000 0.249 50 V C 2.989 179.176 176.094 0.156 0.000 1.055 50 V CA 1.978 64.413 62.300 0.226 0.000 1.065 50 V CB -1.362 30.686 31.823 0.376 0.000 0.681 50 V HN 0.733 nan 8.190 nan 0.000 0.462 51 T N -1.673 112.964 114.554 0.139 0.000 2.904 51 T HA -0.196 4.154 4.350 0.000 0.000 0.267 51 T C 1.797 176.557 174.700 0.099 0.000 1.059 51 T CA 1.411 63.561 62.100 0.083 0.000 1.137 51 T CB -0.564 68.346 68.868 0.070 0.000 0.879 51 T HN 0.375 nan 8.240 nan 0.000 0.467 52 F N 3.026 122.976 119.950 -0.001 0.000 2.046 52 F HA 0.082 4.609 4.527 -0.000 0.000 0.297 52 F C 2.665 178.456 175.800 -0.014 0.000 1.123 52 F CA 1.190 59.177 58.000 -0.022 0.000 1.199 52 F CB -1.028 37.961 39.000 -0.018 0.000 0.972 52 F HN 0.253 nan 8.300 nan 0.000 0.474 53 A N 0.635 123.488 122.820 0.055 0.000 1.873 53 A HA -0.224 4.096 4.320 0.000 0.000 0.218 53 A C 2.148 179.670 177.584 -0.104 0.000 1.193 53 A CA 1.957 53.965 52.037 -0.047 0.000 0.629 53 A CB -1.471 17.587 19.000 0.097 0.000 0.826 53 A HN 0.523 nan 8.150 nan 0.000 0.447 54 L N -0.006 121.194 121.223 -0.038 0.000 2.012 54 L HA -0.141 4.199 4.340 0.000 0.000 0.210 54 L C 2.463 179.286 176.870 -0.078 0.000 1.073 54 L CA 2.063 56.880 54.840 -0.038 0.000 0.748 54 L CB -0.750 41.303 42.059 -0.011 0.000 0.891 54 L HN 0.177 nan 8.230 nan 0.000 0.431 55 V N -1.447 118.398 119.914 -0.115 0.000 2.490 55 V HA -0.333 3.787 4.120 0.000 0.000 0.250 55 V C 2.646 178.652 176.094 -0.147 0.000 1.061 55 V CA 1.677 63.898 62.300 -0.130 0.000 1.064 55 V CB -0.662 31.060 31.823 -0.169 0.000 0.670 55 V HN 0.614 nan 8.190 nan 0.000 0.461 56 C N -0.291 118.851 119.300 -0.262 0.000 2.432 56 C HA -0.117 4.343 4.460 0.000 0.000 0.277 56 C C 2.576 177.519 174.990 -0.079 0.000 1.249 56 C CA 0.503 59.384 59.018 -0.228 0.000 1.725 56 C CB -0.849 26.660 27.740 -0.384 0.000 2.028 56 C HN 0.464 nan 8.230 nan 0.000 0.477 57 I N 0.965 121.480 120.570 -0.092 0.000 2.179 57 I HA -0.148 4.022 4.170 0.000 0.000 0.242 57 I C 2.361 178.420 176.117 -0.097 0.000 1.088 57 I CA 1.741 63.001 61.300 -0.066 0.000 1.357 57 I CB -1.532 36.440 38.000 -0.046 0.000 1.051 57 I HN 0.342 nan 8.210 nan 0.000 0.409 58 L N -0.917 120.227 121.223 -0.131 0.000 2.083 58 L HA -0.234 4.106 4.340 0.000 0.000 0.209 58 L C 2.621 179.261 176.870 -0.383 0.000 1.083 58 L CA 1.331 55.974 54.840 -0.329 0.000 0.752 58 L CB -0.589 41.319 42.059 -0.253 0.000 0.899 58 L HN 0.423 nan 8.230 nan 0.000 0.433 59 W N 0.989 122.111 121.300 -0.298 0.000 2.333 59 W HA -0.231 4.429 4.660 -0.000 0.000 0.316 59 W C 2.426 178.872 176.519 -0.122 0.000 1.215 59 W CA 2.519 59.757 57.345 -0.180 0.000 1.278 59 W CB -0.060 29.328 29.460 -0.120 0.000 1.154 59 W HN 0.178 nan 8.180 nan 0.000 0.486 60 V N -0.835 119.045 119.914 -0.057 0.000 2.667 60 V HA -0.191 3.929 4.120 0.000 0.000 0.252 60 V C 1.775 177.792 176.094 -0.129 0.000 1.065 60 V CA 1.666 63.887 62.300 -0.131 0.000 1.083 60 V CB -1.028 30.745 31.823 -0.083 0.000 0.692 60 V HN 0.023 nan 8.190 nan 0.000 0.468 61 V N 0.801 120.628 119.914 -0.144 0.000 2.379 61 V HA -0.092 4.028 4.120 0.000 0.000 0.245 61 V C 2.204 178.318 176.094 0.033 0.000 1.044 61 V CA 2.684 64.950 62.300 -0.056 0.000 1.036 61 V CB -0.695 31.118 31.823 -0.017 0.000 0.664 61 V HN 0.889 nan 8.190 nan 0.000 0.453 62 Y N -2.391 117.886 120.300 -0.038 0.000 2.449 62 Y HA 0.510 5.060 4.550 -0.000 0.000 0.283 62 Y C 1.923 177.752 175.900 -0.118 0.000 1.079 62 Y CA 0.250 58.323 58.100 -0.045 0.000 1.099 62 Y CB -0.639 37.803 38.460 -0.030 0.000 1.354 62 Y HN -0.039 nan 8.280 nan 0.000 0.569 63 G N 1.518 110.070 108.800 -0.413 0.000 2.553 63 G HA2 -0.407 3.553 3.960 0.000 0.000 0.218 63 G HA3 -0.407 3.553 3.960 0.000 0.000 0.218 63 G C 1.485 175.895 174.900 -0.818 0.000 1.195 63 G CA 1.822 46.676 45.100 -0.410 0.000 0.779 63 G HN 0.548 nan 8.290 nan 0.000 0.577 64 Y N 1.513 120.971 120.300 -1.404 0.000 2.165 64 Y HA -0.139 4.411 4.550 -0.000 0.000 0.286 64 Y C 3.159 178.949 175.900 -0.183 0.000 1.155 64 Y CA 1.960 59.377 58.100 -1.137 0.000 1.164 64 Y CB -0.543 37.391 38.460 -0.877 0.000 0.978 64 Y HN 0.249 nan 8.280 nan 0.000 0.513 65 S N -0.118 115.579 115.700 -0.005 0.000 2.368 65 S HA -0.179 4.291 4.470 0.000 0.000 0.225 65 S C 2.007 176.610 174.600 0.005 0.000 1.030 65 S CA 1.693 60.005 58.200 0.188 0.000 0.999 65 S CB -0.598 62.758 63.200 0.261 0.000 0.844 65 S HN 0.550 nan 8.310 nan 0.000 0.459 66 L N 0.496 121.707 121.223 -0.019 0.000 2.217 66 L HA 0.047 4.387 4.340 0.000 0.000 0.211 66 L C 2.773 179.574 176.870 -0.114 0.000 1.107 66 L CA 1.028 55.864 54.840 -0.007 0.000 0.783 66 L CB -0.511 41.583 42.059 0.058 0.000 0.919 66 L HN 0.432 nan 8.230 nan 0.000 0.442 67 A N -0.820 121.904 122.820 -0.160 0.000 1.911 67 A HA -0.008 4.312 4.320 0.000 0.000 0.212 67 A C 1.760 179.122 177.584 -0.370 0.000 1.189 67 A CA 0.848 52.746 52.037 -0.232 0.000 0.639 67 A CB -0.277 18.651 19.000 -0.120 0.000 0.839 67 A HN 0.301 nan 8.150 nan 0.000 0.449 68 F N 0.145 120.015 119.950 -0.133 0.000 2.678 68 F HA 0.283 4.810 4.527 -0.000 0.000 0.291 68 F C 1.820 177.673 175.800 0.089 0.000 1.123 68 F CA -0.123 57.846 58.000 -0.051 0.000 1.395 68 F CB -0.317 38.526 39.000 -0.261 0.000 1.121 68 F HN 0.221 nan 8.300 nan 0.000 0.592 69 G N 0.458 109.320 108.800 0.103 0.000 2.699 69 G HA2 0.084 4.044 3.960 0.000 0.000 0.246 69 G HA3 0.084 4.044 3.960 0.000 0.000 0.246 69 G C -0.510 174.287 174.900 -0.171 0.000 1.219 69 G CA -0.386 44.541 45.100 -0.288 0.000 0.866 69 G HN 0.174 nan 8.290 nan 0.000 0.572 70 E N -0.547 119.502 120.200 -0.252 0.000 2.283 70 E HA 0.517 4.867 4.350 0.000 0.000 0.278 70 E C 0.605 177.086 176.600 -0.199 0.000 1.027 70 E CA 0.206 56.529 56.400 -0.129 0.000 0.843 70 E CB 1.052 30.697 29.700 -0.092 0.000 1.062 70 E HN 0.555 nan 8.360 nan 0.000 0.401 71 G N 3.605 112.302 108.800 -0.171 0.000 3.554 71 G HA2 0.044 4.004 3.960 0.000 0.000 0.168 71 G HA3 0.044 4.004 3.960 0.000 0.000 0.168 71 G C -0.554 174.225 174.900 -0.203 0.000 1.271 71 G CA 0.057 44.985 45.100 -0.286 0.000 1.339 71 G HN 0.628 nan 8.290 nan 0.000 0.731 72 N N -0.537 118.012 118.700 -0.252 0.000 3.184 72 N HA 0.299 5.039 4.740 0.000 0.000 0.353 72 N C 0.292 175.843 175.510 0.069 0.000 1.441 72 N CA -0.658 52.329 53.050 -0.105 0.000 0.723 72 N CB 0.157 38.560 38.487 -0.140 0.000 1.547 72 N HN 0.128 nan 8.380 nan 0.000 0.624 73 N N -1.251 117.494 118.700 0.076 0.000 2.515 73 N HA 0.025 4.765 4.740 0.000 0.000 0.185 73 N C 0.090 175.733 175.510 0.223 0.000 1.109 73 N CA 0.379 53.503 53.050 0.124 0.000 0.903 73 N CB -0.212 38.317 38.487 0.070 0.000 0.969 73 N HN 0.424 nan 8.380 nan 0.000 0.450 74 F N 0.282 120.247 119.950 0.026 0.000 2.419 74 F HA 0.226 4.753 4.527 0.000 0.000 0.283 74 F C 0.229 176.067 175.800 0.063 0.000 1.044 74 F CA -0.127 57.893 58.000 0.034 0.000 1.376 74 F CB 0.316 39.327 39.000 0.019 0.000 1.131 74 F HN -0.129 nan 8.300 nan 0.000 0.585 75 F N -1.485 118.185 119.950 -0.466 0.000 2.686 75 F HA 0.730 5.257 4.527 0.000 0.000 0.311 75 F C 0.358 175.537 175.800 -1.035 0.000 1.128 75 F CA -0.938 56.500 58.000 -0.937 0.000 0.946 75 F CB 0.312 39.014 39.000 -0.497 0.000 1.336 75 F HN 0.024 nan 8.300 nan 0.000 0.457 76 G N 1.012 109.315 108.800 -0.828 0.000 2.913 76 G HA2 0.339 4.299 3.960 0.000 0.000 0.145 76 G HA3 0.339 4.299 3.960 0.000 0.000 0.145 76 G C -0.893 173.770 174.900 -0.395 0.000 1.801 76 G CA 0.284 45.079 45.100 -0.508 0.000 1.033 76 G HN 1.099 nan 8.290 nan 0.000 0.495 77 N N -2.176 116.380 118.700 -0.239 0.000 3.102 77 N HA 0.364 5.104 4.740 0.000 0.000 0.299 77 N C 0.247 175.709 175.510 -0.079 0.000 1.482 77 N CA -0.740 52.198 53.050 -0.187 0.000 0.785 77 N CB 0.960 39.280 38.487 -0.279 0.000 1.680 77 N HN 0.234 nan 8.380 nan 0.000 0.594 78 I N -1.135 119.397 120.570 -0.062 0.000 3.976 78 I HA 0.217 4.388 4.170 0.000 0.000 0.337 78 I C 0.180 176.290 176.117 -0.013 0.000 1.359 78 I CA -0.032 61.264 61.300 -0.007 0.000 1.098 78 I CB -1.716 36.287 38.000 0.006 0.000 1.027 78 I HN 0.506 nan 8.210 nan 0.000 0.394 79 N N 0.841 119.476 118.700 -0.108 0.000 2.459 79 N HA -0.109 4.631 4.740 0.000 0.000 0.181 79 N C 0.315 175.876 175.510 0.085 0.000 1.046 79 N CA 0.710 53.698 53.050 -0.102 0.000 0.904 79 N CB 0.047 38.369 38.487 -0.275 0.000 0.964 79 N HN 0.348 nan 8.380 nan 0.000 0.444 80 W N 1.755 123.087 121.300 0.055 0.000 2.164 80 W HA 0.368 5.028 4.660 -0.000 0.000 0.370 80 W C -0.621 175.928 176.519 0.051 0.000 0.747 80 W CA -0.878 56.509 57.345 0.070 0.000 2.688 80 W CB -0.434 29.102 29.460 0.126 0.000 1.826 80 W HN -0.018 nan 8.180 nan 0.000 0.721 81 L N 2.608 123.966 121.223 0.226 0.000 2.369 81 L HA 0.052 4.392 4.340 0.000 0.000 0.279 81 L C 0.983 177.919 176.870 0.110 0.000 1.108 81 L CA 0.335 55.266 54.840 0.151 0.000 0.852 81 L CB 0.585 42.714 42.059 0.118 0.000 1.169 81 L HN 0.123 nan 8.230 nan 0.000 0.452 82 M N 4.653 124.293 119.600 0.067 0.000 2.732 82 M HA -0.224 4.256 4.480 0.000 0.000 0.207 82 M C 0.848 177.146 176.300 -0.003 0.000 0.513 82 M CA 0.475 55.787 55.300 0.020 0.000 0.652 82 M CB -1.456 31.165 32.600 0.034 0.000 2.410 82 M HN 0.750 nan 8.290 nan 0.000 0.660 83 L N -1.700 119.516 121.223 -0.012 0.000 4.429 83 L HA -0.263 4.077 4.340 0.000 0.000 0.422 83 L C 1.078 177.960 176.870 0.021 0.000 1.149 83 L CA 1.614 56.401 54.840 -0.089 0.000 0.972 83 L CB -1.848 40.022 42.059 -0.316 0.000 2.059 83 L HN 0.684 nan 8.230 nan 0.000 0.870 84 K N 0.930 121.393 120.400 0.106 0.000 2.319 84 K HA 0.116 4.436 4.320 0.000 0.000 0.265 84 K C 0.958 177.694 176.600 0.226 0.000 1.000 84 K CA 0.385 56.752 56.287 0.133 0.000 0.943 84 K CB 0.795 33.365 32.500 0.117 0.000 0.950 84 K HN 0.281 nan 8.250 nan 0.000 0.485 85 N N -0.233 118.587 118.700 0.199 0.000 2.980 85 N HA -0.169 4.571 4.740 0.000 0.000 0.219 85 N C -0.800 174.858 175.510 0.247 0.000 0.883 85 N CA 1.251 54.469 53.050 0.281 0.000 1.018 85 N CB -0.876 37.868 38.487 0.428 0.000 1.041 85 N HN 0.644 nan 8.380 nan 0.000 0.592 86 I N 2.654 123.263 120.570 0.065 0.000 2.328 86 I HA 0.122 4.293 4.170 0.000 0.000 0.287 86 I C 0.455 176.605 176.117 0.055 0.000 1.012 86 I CA -0.417 60.834 61.300 -0.082 0.000 1.195 86 I CB 1.063 38.863 38.000 -0.333 0.000 1.350 86 I HN -0.110 nan 8.210 nan 0.000 0.464 87 E N 5.208 125.423 120.200 0.025 0.000 2.373 87 E HA 0.003 4.353 4.350 0.000 0.000 0.267 87 E C 0.810 177.345 176.600 -0.108 0.000 1.032 87 E CA -0.445 55.939 56.400 -0.028 0.000 0.889 87 E CB 1.761 31.439 29.700 -0.036 0.000 0.984 87 E HN 0.462 nan 8.360 nan 0.000 0.425 88 L N 3.449 124.509 121.223 -0.272 0.000 2.187 88 L HA -0.178 4.162 4.340 0.000 0.000 0.213 88 L C 1.984 178.614 176.870 -0.401 0.000 1.100 88 L CA 2.351 56.848 54.840 -0.570 0.000 0.765 88 L CB -0.779 40.941 42.059 -0.566 0.000 0.904 88 L HN 0.705 nan 8.230 nan 0.000 0.437 89 T N -3.007 111.417 114.554 -0.215 0.000 3.107 89 T HA 0.418 4.768 4.350 0.000 0.000 0.249 89 T C 0.855 175.629 174.700 0.122 0.000 1.096 89 T CA 0.110 62.175 62.100 -0.058 0.000 1.012 89 T CB -0.568 68.259 68.868 -0.069 0.000 0.977 89 T HN 0.375 nan 8.240 nan 0.000 0.527 90 A N 1.468 124.323 122.820 0.058 0.000 2.488 90 A HA 0.540 4.860 4.320 0.000 0.000 0.249 90 A C 0.159 177.816 177.584 0.121 0.000 1.083 90 A CA -0.360 51.716 52.037 0.064 0.000 0.768 90 A CB 0.106 19.124 19.000 0.030 0.000 1.017 90 A HN 0.368 nan 8.150 nan 0.000 0.496 91 V N 3.740 123.689 119.914 0.057 0.000 2.435 91 V HA 0.483 4.603 4.120 0.000 0.000 0.290 91 V C -0.013 176.070 176.094 -0.018 0.000 1.030 91 V CA -0.325 61.969 62.300 -0.010 0.000 0.881 91 V CB 1.378 33.158 31.823 -0.071 0.000 0.983 91 V HN 0.957 nan 8.190 nan 0.000 0.445 92 M N 5.381 124.954 119.600 -0.045 0.000 2.018 92 M HA 0.705 5.185 4.480 0.000 0.000 0.311 92 M C 0.429 176.668 176.300 -0.101 0.000 0.928 92 M CA 0.933 56.185 55.300 -0.080 0.000 0.911 92 M CB 0.364 32.883 32.600 -0.136 0.000 1.447 92 M HN 1.011 nan 8.290 nan 0.000 0.407 93 G N 3.176 111.929 108.800 -0.077 0.000 2.720 93 G HA2 -0.294 3.666 3.960 0.000 0.000 0.293 93 G HA3 -0.294 3.666 3.960 0.000 0.000 0.293 93 G C 0.318 175.175 174.900 -0.073 0.000 1.256 93 G CA 0.535 45.593 45.100 -0.069 0.000 0.974 93 G HN 1.508 nan 8.290 nan 0.000 0.551 94 S N 0.242 115.891 115.700 -0.086 0.000 2.937 94 S HA 0.615 5.085 4.470 0.000 0.000 0.252 94 S C 0.401 174.913 174.600 -0.148 0.000 1.022 94 S CA 0.507 58.644 58.200 -0.106 0.000 1.079 94 S CB -0.177 62.976 63.200 -0.079 0.000 1.035 94 S HN 1.710 nan 8.310 nan 0.000 0.594 95 I N -2.260 118.224 120.570 -0.143 0.000 2.892 95 I HA 0.703 4.873 4.170 0.000 0.000 0.306 95 I C -1.131 174.900 176.117 -0.143 0.000 1.078 95 I CA -1.665 59.545 61.300 -0.149 0.000 1.032 95 I CB 0.998 38.965 38.000 -0.055 0.000 1.229 95 I HN -0.127 nan 8.210 nan 0.000 0.435 96 Y N 2.359 122.655 120.300 -0.006 0.000 2.526 96 Y HA 0.016 4.566 4.550 0.000 0.000 0.330 96 Y C 1.725 177.636 175.900 0.020 0.000 1.156 96 Y CA 0.455 58.552 58.100 -0.005 0.000 1.419 96 Y CB 0.550 38.999 38.460 -0.018 0.000 1.250 96 Y HN 0.686 nan 8.280 nan 0.000 0.540 97 Q N 2.012 121.914 119.800 0.169 0.000 2.197 97 Q HA -0.260 4.080 4.340 0.000 0.000 0.207 97 Q C 1.166 177.206 176.000 0.066 0.000 0.984 97 Q CA 1.667 57.518 55.803 0.080 0.000 0.869 97 Q CB -0.156 28.570 28.738 -0.020 0.000 0.906 97 Q HN 0.863 nan 8.270 nan 0.000 0.426 98 Y N 0.181 120.435 120.300 -0.077 0.000 2.256 98 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 98 Y C 1.841 177.697 175.900 -0.074 0.000 1.155 98 Y CA 1.140 59.165 58.100 -0.125 0.000 1.203 98 Y CB -0.054 38.339 38.460 -0.112 0.000 0.980 98 Y HN 0.191 nan 8.280 nan 0.000 0.530 99 I N -1.570 119.085 120.570 0.141 0.000 2.353 99 I HA -0.292 3.878 4.170 0.000 0.000 0.248 99 I C 2.609 178.766 176.117 0.067 0.000 1.119 99 I CA 1.233 62.588 61.300 0.091 0.000 1.417 99 I CB -0.520 37.536 38.000 0.093 0.000 1.078 99 I HN 0.300 nan 8.210 nan 0.000 0.421 100 H N 1.273 120.326 119.070 -0.029 0.000 2.321 100 H HA -0.143 4.413 4.556 0.000 0.000 0.300 100 H C 2.277 177.589 175.328 -0.027 0.000 1.087 100 H CA 2.077 58.109 56.048 -0.027 0.000 1.319 100 H CB 0.175 29.908 29.762 -0.048 0.000 1.379 100 H HN 0.110 nan 8.280 nan 0.000 0.501 101 V N 1.501 121.249 119.914 -0.276 0.000 2.324 101 V HA -0.307 3.813 4.120 0.000 0.000 0.250 101 V C 3.078 179.156 176.094 -0.027 0.000 1.060 101 V CA 1.782 63.830 62.300 -0.419 0.000 1.042 101 V CB -1.287 30.069 31.823 -0.778 0.000 0.650 101 V HN 0.589 nan 8.190 nan 0.000 0.450 102 A N -0.466 122.322 122.820 -0.053 0.000 1.873 102 A HA -0.199 4.121 4.320 0.000 0.000 0.215 102 A C 2.112 179.701 177.584 0.008 0.000 1.186 102 A CA 1.882 53.917 52.037 -0.003 0.000 0.616 102 A CB -0.726 18.289 19.000 0.024 0.000 0.823 102 A HN 0.474 nan 8.150 nan 0.000 0.442 103 F N 0.738 120.608 119.950 -0.133 0.000 2.069 103 F HA -0.230 4.297 4.527 0.000 0.000 0.298 103 F C 2.545 178.241 175.800 -0.174 0.000 1.113 103 F CA 2.297 60.215 58.000 -0.137 0.000 1.214 103 F CB -0.296 38.586 39.000 -0.197 0.000 0.978 103 F HN 0.207 nan 8.300 nan 0.000 0.474 104 Q N 0.170 119.754 119.800 -0.360 0.000 2.124 104 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 104 Q C 2.566 178.250 176.000 -0.528 0.000 0.977 104 Q CA 1.366 56.931 55.803 -0.397 0.000 0.850 104 Q CB -1.382 27.237 28.738 -0.199 0.000 0.901 104 Q HN 0.571 nan 8.270 nan 0.000 0.429 105 G N 0.967 109.357 108.800 -0.685 0.000 2.432 105 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 105 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 105 G C 1.663 176.154 174.900 -0.682 0.000 1.135 105 G CA 1.359 45.658 45.100 -1.335 0.000 0.767 105 G HN 0.514 nan 8.290 nan 0.000 0.550 106 S N 0.295 115.791 115.700 -0.340 0.000 2.402 106 S HA -0.006 4.464 4.470 0.000 0.000 0.229 106 S C 2.039 176.542 174.600 -0.161 0.000 1.021 106 S CA 0.799 58.895 58.200 -0.174 0.000 0.974 106 S CB -0.494 62.670 63.200 -0.061 0.000 0.800 106 S HN 0.158 nan 8.310 nan 0.000 0.484 107 F N 2.640 122.349 119.950 -0.400 0.000 2.186 107 F HA 0.187 4.714 4.527 0.000 0.000 0.299 107 F C 2.817 178.450 175.800 -0.278 0.000 1.090 107 F CA 0.291 58.161 58.000 -0.217 0.000 1.307 107 F CB -0.998 37.925 39.000 -0.128 0.000 1.019 107 F HN 0.313 nan 8.300 nan 0.000 0.489 108 A N -1.069 121.481 122.820 -0.450 0.000 1.930 108 A HA -0.178 4.142 4.320 0.000 0.000 0.217 108 A C 2.347 179.628 177.584 -0.505 0.000 1.175 108 A CA 1.715 53.178 52.037 -0.957 0.000 0.627 108 A CB -1.434 16.884 19.000 -1.136 0.000 0.815 108 A HN 0.451 nan 8.150 nan 0.000 0.443 109 C N -1.202 117.896 119.300 -0.337 0.000 2.442 109 C HA -0.096 4.364 4.460 0.000 0.000 0.279 109 C C 2.450 177.396 174.990 -0.074 0.000 1.237 109 C CA 1.081 60.016 59.018 -0.139 0.000 1.722 109 C CB -1.274 26.463 27.740 -0.005 0.000 2.056 109 C HN 0.677 nan 8.230 nan 0.000 0.469 110 I N 1.371 121.870 120.570 -0.119 0.000 2.208 110 I HA -0.201 3.969 4.170 0.000 0.000 0.245 110 I C 2.387 178.418 176.117 -0.143 0.000 1.097 110 I CA 1.969 63.166 61.300 -0.171 0.000 1.363 110 I CB -0.841 36.970 38.000 -0.315 0.000 1.051 110 I HN 0.340 nan 8.210 nan 0.000 0.413 111 T N -0.220 114.275 114.554 -0.099 0.000 2.684 111 T HA -0.164 4.186 4.350 0.000 0.000 0.267 111 T C 2.038 176.744 174.700 0.011 0.000 1.036 111 T CA 1.896 64.001 62.100 0.008 0.000 1.148 111 T CB -0.551 68.427 68.868 0.183 0.000 0.863 111 T HN 0.227 nan 8.240 nan 0.000 0.436 112 V N 1.244 121.160 119.914 0.003 0.000 2.427 112 V HA -0.064 4.056 4.120 0.000 0.000 0.248 112 V C 2.828 178.926 176.094 0.007 0.000 1.051 112 V CA 1.840 64.142 62.300 0.004 0.000 1.048 112 V CB -1.284 30.560 31.823 0.036 0.000 0.666 112 V HN 0.607 nan 8.190 nan 0.000 0.456 113 G N 0.009 108.814 108.800 0.008 0.000 2.421 113 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 113 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 113 G C 1.562 176.526 174.900 0.107 0.000 1.171 113 G CA 0.995 46.118 45.100 0.039 0.000 0.775 113 G HN 0.472 nan 8.290 nan 0.000 0.543 114 L N 0.174 121.411 121.223 0.024 0.000 2.042 114 L HA -0.100 4.240 4.340 0.000 0.000 0.210 114 L C 2.859 179.811 176.870 0.136 0.000 1.076 114 L CA 0.779 55.664 54.840 0.075 0.000 0.749 114 L CB -0.454 41.495 42.059 -0.182 0.000 0.893 114 L HN 0.204 nan 8.230 nan 0.000 0.432 115 I N -0.916 119.661 120.570 0.012 0.000 2.208 115 I HA -0.292 3.878 4.170 0.000 0.000 0.245 115 I C 2.520 178.615 176.117 -0.037 0.000 1.097 115 I CA 1.091 62.361 61.300 -0.049 0.000 1.363 115 I CB -0.360 37.551 38.000 -0.149 0.000 1.051 115 I HN 0.017 nan 8.210 nan 0.000 0.413 116 V N 1.213 121.142 119.914 0.024 0.000 2.660 116 V HA -0.238 3.882 4.120 0.000 0.000 0.257 116 V C 2.222 178.238 176.094 -0.129 0.000 1.088 116 V CA 2.110 64.414 62.300 0.007 0.000 1.106 116 V CB -0.830 31.050 31.823 0.094 0.000 0.686 116 V HN 0.604 nan 8.190 nan 0.000 0.481 117 G N -1.496 107.079 108.800 -0.374 0.000 2.848 117 G HA2 0.106 4.067 3.960 0.000 0.000 0.208 117 G HA3 0.106 4.067 3.960 0.000 0.000 0.208 117 G C 1.293 175.909 174.900 -0.474 0.000 1.152 117 G CA 0.670 45.231 45.100 -0.899 0.000 0.789 117 G HN 0.627 nan 8.290 nan 0.000 0.531 118 A N -0.130 122.523 122.820 -0.279 0.000 2.252 118 A HA 0.470 4.790 4.320 0.000 0.000 0.213 118 A C 1.863 179.314 177.584 -0.220 0.000 1.188 118 A CA 0.040 51.946 52.037 -0.217 0.000 0.863 118 A CB 0.105 19.005 19.000 -0.165 0.000 0.893 118 A HN 0.300 nan 8.150 nan 0.000 0.495 119 L N -0.811 120.295 121.223 -0.195 0.000 2.616 119 L HA 0.348 4.688 4.340 0.000 0.000 0.229 119 L C 1.283 178.080 176.870 -0.121 0.000 1.110 119 L CA 0.023 54.760 54.840 -0.172 0.000 0.884 119 L CB -0.323 41.651 42.059 -0.141 0.000 1.115 119 L HN 0.253 nan 8.230 nan 0.000 0.481 120 A N 1.083 123.831 122.820 -0.120 0.000 2.586 120 A HA 0.017 4.337 4.320 0.000 0.000 0.231 120 A C 1.061 178.616 177.584 -0.049 0.000 1.055 120 A CA 0.677 52.672 52.037 -0.070 0.000 0.756 120 A CB -0.027 18.920 19.000 -0.089 0.000 0.988 120 A HN 0.615 nan 8.150 nan 0.000 0.509 121 E N -0.701 119.497 120.200 -0.003 0.000 4.086 121 E HA -0.275 4.075 4.350 0.000 0.000 0.363 121 E C 0.930 177.536 176.600 0.010 0.000 0.616 121 E CA 1.352 57.762 56.400 0.017 0.000 1.293 121 E CB -0.846 28.875 29.700 0.035 0.000 1.747 121 E HN 0.943 nan 8.360 nan 0.000 0.405 122 R N 0.609 121.100 120.500 -0.015 0.000 2.526 122 R HA 0.328 4.668 4.340 0.000 0.000 0.346 122 R C 0.409 176.694 176.300 -0.025 0.000 0.926 122 R CA -0.141 55.947 56.100 -0.021 0.000 1.147 122 R CB 0.014 30.288 30.300 -0.043 0.000 1.629 122 R HN 0.189 nan 8.270 nan 0.000 0.516 123 I N 2.234 122.794 120.570 -0.016 0.000 2.499 123 I HA 0.305 4.475 4.170 0.000 0.000 0.296 123 I C 0.006 176.147 176.117 0.040 0.000 0.992 123 I CA -1.077 60.219 61.300 -0.007 0.000 1.297 123 I CB 1.430 39.417 38.000 -0.021 0.000 1.410 123 I HN 0.085 nan 8.210 nan 0.000 0.507 124 R N 5.525 126.049 120.500 0.039 0.000 2.298 124 R HA 0.073 4.413 4.340 0.000 0.000 0.310 124 R C 0.565 176.936 176.300 0.118 0.000 1.068 124 R CA -0.071 56.070 56.100 0.068 0.000 0.957 124 R CB 0.532 30.858 30.300 0.043 0.000 1.003 124 R HN 0.738 nan 8.270 nan 0.000 0.454 125 F N 3.184 123.136 119.950 0.004 0.000 2.087 125 F HA -0.332 4.196 4.527 0.001 0.000 0.299 125 F C 2.287 178.123 175.800 0.059 0.000 1.100 125 F CA 2.448 60.479 58.000 0.051 0.000 1.226 125 F CB 0.015 39.035 39.000 0.034 0.000 0.983 125 F HN 0.724 nan 8.300 nan 0.000 0.479 126 S N 0.364 116.097 115.700 0.056 0.000 2.402 126 S HA -0.136 4.334 4.470 0.000 0.000 0.229 126 S C 2.158 176.723 174.600 -0.058 0.000 1.021 126 S CA 0.716 58.893 58.200 -0.038 0.000 0.974 126 S CB -1.045 62.187 63.200 0.054 0.000 0.800 126 S HN 0.458 nan 8.310 nan 0.000 0.484 127 A N 1.460 124.273 122.820 -0.011 0.000 1.933 127 A HA 0.089 4.409 4.320 0.000 0.000 0.218 127 A C 2.377 179.978 177.584 0.027 0.000 1.175 127 A CA 1.538 53.587 52.037 0.020 0.000 0.628 127 A CB -1.025 18.000 19.000 0.041 0.000 0.814 127 A HN 0.462 nan 8.150 nan 0.000 0.444 128 V N 0.294 120.190 119.914 -0.030 0.000 2.358 128 V HA -0.247 3.873 4.120 0.000 0.000 0.246 128 V C 2.551 178.630 176.094 -0.027 0.000 1.047 128 V CA 1.852 64.145 62.300 -0.011 0.000 1.035 128 V CB -0.788 30.988 31.823 -0.077 0.000 0.658 128 V HN 0.572 nan 8.190 nan 0.000 0.452 129 L N -0.574 120.548 121.223 -0.170 0.000 2.017 129 L HA -0.193 4.147 4.340 0.000 0.000 0.208 129 L C 2.417 179.260 176.870 -0.046 0.000 1.073 129 L CA 1.817 56.570 54.840 -0.145 0.000 0.745 129 L CB -0.650 41.278 42.059 -0.218 0.000 0.894 129 L HN 0.252 nan 8.230 nan 0.000 0.432 130 I N -0.659 119.898 120.570 -0.022 0.000 2.163 130 I HA -0.351 3.819 4.170 0.000 0.000 0.243 130 I C 2.582 178.705 176.117 0.010 0.000 1.085 130 I CA 1.561 62.860 61.300 -0.000 0.000 1.347 130 I CB -0.423 37.583 38.000 0.011 0.000 1.044 130 I HN 0.133 nan 8.210 nan 0.000 0.408 131 F N 1.580 121.464 119.950 -0.110 0.000 2.065 131 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 131 F C 2.403 178.155 175.800 -0.080 0.000 1.112 131 F CA 1.784 59.677 58.000 -0.178 0.000 1.212 131 F CB -0.574 38.225 39.000 -0.336 0.000 0.975 131 F HN -0.224 nan 8.300 nan 0.000 0.476 132 V N -0.094 119.764 119.914 -0.092 0.000 2.282 132 V HA -0.347 3.773 4.120 0.000 0.000 0.249 132 V C 2.439 178.481 176.094 -0.087 0.000 1.057 132 V CA 1.818 64.058 62.300 -0.100 0.000 1.032 132 V CB -0.953 30.875 31.823 0.008 0.000 0.645 132 V HN 0.332 nan 8.190 nan 0.000 0.447 133 V N -0.420 119.457 119.914 -0.062 0.000 2.295 133 V HA -0.230 3.890 4.120 0.000 0.000 0.246 133 V C 2.357 178.421 176.094 -0.051 0.000 1.049 133 V CA 2.041 64.328 62.300 -0.022 0.000 1.024 133 V CB -0.464 31.358 31.823 -0.002 0.000 0.648 133 V HN 0.413 nan 8.190 nan 0.000 0.447 134 V N -1.468 118.372 119.914 -0.123 0.000 2.270 134 V HA -0.253 3.867 4.120 0.000 0.000 0.245 134 V C 1.988 177.962 176.094 -0.199 0.000 1.043 134 V CA 2.266 64.476 62.300 -0.151 0.000 1.014 134 V CB -0.759 30.968 31.823 -0.160 0.000 0.645 134 V HN 0.738 nan 8.190 nan 0.000 0.447 135 W N 0.581 121.532 121.300 -0.581 0.000 2.335 135 W HA -0.235 4.425 4.660 0.000 0.000 0.311 135 W C 2.283 178.657 176.519 -0.242 0.000 1.213 135 W CA 2.161 59.163 57.345 -0.571 0.000 1.274 135 W CB -0.434 28.366 29.460 -1.100 0.000 1.148 135 W HN 0.222 nan 8.180 nan 0.000 0.498 136 L N 0.556 121.763 121.223 -0.027 0.000 1.989 136 L HA -0.218 4.122 4.340 0.000 0.000 0.211 136 L C 2.333 179.172 176.870 -0.051 0.000 1.071 136 L CA 3.068 57.889 54.840 -0.033 0.000 0.749 136 L CB -1.426 40.681 42.059 0.080 0.000 0.890 136 L HN -0.032 nan 8.230 nan 0.000 0.431 137 T N 0.295 114.850 114.554 0.003 0.000 2.652 137 T HA -0.195 4.155 4.350 0.000 0.000 0.267 137 T C 1.862 176.526 174.700 -0.061 0.000 1.039 137 T CA 2.187 64.319 62.100 0.053 0.000 1.153 137 T CB -0.379 68.519 68.868 0.051 0.000 0.863 137 T HN 0.347 nan 8.240 nan 0.000 0.428 138 L N -0.085 121.052 121.223 -0.142 0.000 2.416 138 L HA 0.189 4.529 4.340 0.000 0.000 0.216 138 L C 2.608 179.394 176.870 -0.141 0.000 1.098 138 L CA 0.614 55.380 54.840 -0.123 0.000 0.840 138 L CB -0.263 41.703 42.059 -0.154 0.000 0.981 138 L HN 0.252 nan 8.230 nan 0.000 0.462 139 S N -1.098 114.334 115.700 -0.446 0.000 2.655 139 S HA -0.053 4.417 4.470 0.000 0.000 0.231 139 S C 1.898 176.223 174.600 -0.459 0.000 1.044 139 S CA -0.042 57.825 58.200 -0.554 0.000 0.910 139 S CB -0.234 62.207 63.200 -1.265 0.000 0.833 139 S HN 0.319 nan 8.310 nan 0.000 0.581 140 Y N 2.409 122.219 120.300 -0.818 0.000 2.070 140 Y HA -0.106 4.444 4.550 0.000 0.000 0.280 140 Y C 2.009 177.797 175.900 -0.188 0.000 1.148 140 Y CA 2.147 59.968 58.100 -0.466 0.000 1.125 140 Y CB -0.495 37.755 38.460 -0.350 0.000 0.975 140 Y HN 0.293 nan 8.280 nan 0.000 0.492 141 I N 0.170 120.760 120.570 0.033 0.000 2.087 141 I HA -0.332 3.838 4.170 0.000 0.000 0.240 141 I C -0.649 175.342 176.117 -0.210 0.000 1.054 141 I CA 1.961 63.272 61.300 0.018 0.000 1.311 141 I CB -1.641 36.403 38.000 0.074 0.000 1.024 141 I HN 0.248 nan 8.210 nan 0.000 0.402 142 P HA -0.139 nan 4.420 nan 0.000 0.216 142 P C 1.864 178.888 177.300 -0.461 0.000 1.153 142 P CA 1.573 64.331 63.100 -0.570 0.000 0.848 142 P CB 0.006 31.166 31.700 -0.899 0.000 0.787 143 I N -0.652 119.692 120.570 -0.376 0.000 2.252 143 I HA -0.234 3.936 4.170 0.000 0.000 0.245 143 I C 2.340 178.164 176.117 -0.487 0.000 1.102 143 I CA 1.400 62.480 61.300 -0.366 0.000 1.385 143 I CB -0.731 37.110 38.000 -0.266 0.000 1.064 143 I HN -0.101 nan 8.210 nan 0.000 0.414 144 A N -0.256 122.199 122.820 -0.608 0.000 1.902 144 A HA -0.298 4.022 4.320 0.000 0.000 0.217 144 A C 2.339 179.640 177.584 -0.471 0.000 1.181 144 A CA 1.786 53.461 52.037 -0.603 0.000 0.623 144 A CB -1.043 17.665 19.000 -0.487 0.000 0.818 144 A HN 0.532 nan 8.150 nan 0.000 0.443 145 H N -0.681 118.090 119.070 -0.498 0.000 2.423 145 H HA 0.016 4.572 4.556 0.000 0.000 0.297 145 H C 1.857 177.000 175.328 -0.308 0.000 1.075 145 H CA 1.768 57.550 56.048 -0.443 0.000 1.342 145 H CB -0.070 29.468 29.762 -0.373 0.000 1.395 145 H HN 0.481 nan 8.280 nan 0.000 0.530 146 M N -0.277 119.144 119.600 -0.299 0.000 2.349 146 M HA -0.082 4.398 4.480 0.000 0.000 0.266 146 M C 2.203 178.370 176.300 -0.222 0.000 1.076 146 M CA 0.631 55.786 55.300 -0.242 0.000 1.126 146 M CB 0.405 32.891 32.600 -0.190 0.000 1.392 146 M HN 0.072 nan 8.290 nan 0.000 0.440 147 V N -1.948 117.792 119.914 -0.290 0.000 2.521 147 V HA -0.060 4.060 4.120 0.000 0.000 0.239 147 V C 1.342 177.410 176.094 -0.043 0.000 1.053 147 V CA 1.005 63.154 62.300 -0.250 0.000 1.073 147 V CB -0.220 31.288 31.823 -0.525 0.000 0.746 147 V HN 0.529 nan 8.190 nan 0.000 0.476 148 W N 0.530 121.770 121.300 -0.101 0.000 3.127 148 W HA 0.507 5.167 4.660 -0.000 0.000 0.344 148 W C 1.616 178.119 176.519 -0.027 0.000 1.151 148 W CA 0.144 57.490 57.345 0.002 0.000 1.765 148 W CB -0.413 29.130 29.460 0.137 0.000 1.085 148 W HN 0.324 nan 8.180 nan 0.000 0.596 149 G N -0.345 108.363 108.800 -0.155 0.000 3.707 149 G HA2 0.369 4.329 3.960 0.000 0.000 0.286 149 G HA3 0.369 4.329 3.960 0.000 0.000 0.286 149 G C 1.209 175.869 174.900 -0.401 0.000 1.112 149 G CA 0.067 44.954 45.100 -0.355 0.000 0.861 149 G HN 0.235 nan 8.290 nan 0.000 0.534 150 G N -0.553 108.138 108.800 -0.182 0.000 2.203 150 G HA2 -0.074 3.886 3.960 0.000 0.000 0.263 150 G HA3 -0.074 3.886 3.960 0.000 0.000 0.263 150 G C 0.909 175.679 174.900 -0.217 0.000 1.012 150 G CA 0.524 45.547 45.100 -0.128 0.000 0.749 150 G HN 0.986 nan 8.290 nan 0.000 0.512 151 G N -1.137 107.438 108.800 -0.375 0.000 2.485 151 G HA2 0.507 4.467 3.960 0.000 0.000 0.260 151 G HA3 0.507 4.467 3.960 0.000 0.000 0.260 151 G C 1.338 176.193 174.900 -0.075 0.000 1.459 151 G CA 0.163 45.094 45.100 -0.281 0.000 1.060 151 G HN 0.753 nan 8.290 nan 0.000 0.546 152 L N -0.569 120.639 121.223 -0.026 0.000 1.963 152 L HA -0.113 4.227 4.340 0.000 0.000 0.220 152 L C 2.890 179.774 176.870 0.024 0.000 1.076 152 L CA 1.757 56.602 54.840 0.008 0.000 0.772 152 L CB -0.663 41.377 42.059 -0.032 0.000 0.892 152 L HN 0.473 nan 8.230 nan 0.000 0.435 153 L N -1.324 119.875 121.223 -0.040 0.000 2.093 153 L HA -0.183 4.157 4.340 0.000 0.000 0.208 153 L C 2.587 179.494 176.870 0.062 0.000 1.085 153 L CA 1.082 55.911 54.840 -0.018 0.000 0.755 153 L CB -0.748 41.277 42.059 -0.057 0.000 0.904 153 L HN 0.424 nan 8.230 nan 0.000 0.435 154 A N 0.155 122.997 122.820 0.038 0.000 1.877 154 A HA -0.240 4.080 4.320 0.000 0.000 0.216 154 A C 2.475 180.119 177.584 0.101 0.000 1.186 154 A CA 2.024 54.107 52.037 0.075 0.000 0.620 154 A CB -0.812 18.213 19.000 0.042 0.000 0.822 154 A HN 0.520 nan 8.150 nan 0.000 0.443 155 S N -1.076 114.687 115.700 0.105 0.000 2.500 155 S HA -0.176 4.294 4.470 0.000 0.000 0.239 155 S C 1.284 175.926 174.600 0.071 0.000 0.989 155 S CA 1.543 59.801 58.200 0.096 0.000 0.951 155 S CB -0.627 62.630 63.200 0.095 0.000 0.759 155 S HN 0.678 nan 8.310 nan 0.000 0.523 156 H N 0.749 119.835 119.070 0.026 0.000 2.549 156 H HA 0.445 5.001 4.556 0.000 0.000 0.279 156 H C 1.493 176.855 175.328 0.056 0.000 1.018 156 H CA -0.166 55.904 56.048 0.037 0.000 1.175 156 H CB 0.200 29.970 29.762 0.013 0.000 1.485 156 H HN 0.512 nan 8.280 nan 0.000 0.543 157 G N 0.423 109.306 108.800 0.139 0.000 2.160 157 G HA2 -0.223 3.737 3.960 0.000 0.000 0.244 157 G HA3 -0.223 3.737 3.960 0.000 0.000 0.244 157 G C 0.440 175.406 174.900 0.110 0.000 1.022 157 G CA 0.127 45.301 45.100 0.123 0.000 0.741 157 G HN 0.680 nan 8.290 nan 0.000 0.508 158 A N -0.401 122.486 122.820 0.112 0.000 2.445 158 A HA 0.636 4.956 4.320 0.000 0.000 0.242 158 A C 0.650 178.301 177.584 0.112 0.000 1.075 158 A CA 0.255 52.347 52.037 0.091 0.000 0.777 158 A CB 0.360 19.407 19.000 0.079 0.000 1.013 158 A HN 0.982 nan 8.150 nan 0.000 0.493 159 L N 2.595 123.864 121.223 0.078 0.000 2.301 159 L HA 0.362 4.702 4.340 0.000 0.000 0.278 159 L C -0.722 176.287 176.870 0.231 0.000 1.022 159 L CA -0.261 54.600 54.840 0.035 0.000 0.854 159 L CB 0.981 42.877 42.059 -0.271 0.000 1.226 159 L HN 0.688 nan 8.230 nan 0.000 0.429 160 D N 2.034 122.694 120.400 0.433 0.000 2.330 160 D HA 0.092 4.732 4.640 0.000 0.000 0.249 160 D C 0.333 177.075 176.300 0.735 0.000 1.306 160 D CA -0.455 53.857 54.000 0.520 0.000 0.956 160 D CB 0.921 41.937 40.800 0.360 0.000 1.261 160 D HN 0.255 nan 8.370 nan 0.000 0.544 161 F N 3.085 123.400 119.950 0.609 0.000 2.075 161 F HA 0.004 4.531 4.527 0.000 0.000 0.297 161 F C 1.744 177.738 175.800 0.324 0.000 1.113 161 F CA 1.978 60.230 58.000 0.419 0.000 1.218 161 F CB 0.437 39.593 39.000 0.260 0.000 0.984 161 F HN 0.437 nan 8.300 nan 0.000 0.472 162 A N -1.644 121.493 122.820 0.528 0.000 2.585 162 A HA 0.566 4.886 4.320 0.000 0.000 0.266 162 A C 0.952 178.996 177.584 0.765 0.000 1.178 162 A CA 0.442 52.718 52.037 0.397 0.000 0.966 162 A CB -0.177 19.062 19.000 0.398 0.000 1.170 162 A HN 0.844 nan 8.150 nan 0.000 0.558 163 G N -1.146 108.183 108.800 0.882 0.000 2.245 163 G HA2 0.077 4.037 3.960 0.000 0.000 0.116 163 G HA3 0.077 4.037 3.960 0.000 0.000 0.116 163 G C 0.951 176.139 174.900 0.479 0.000 1.054 163 G CA 0.253 45.731 45.100 0.629 0.000 0.728 163 G HN 1.034 nan 8.290 nan 0.000 0.483 164 G N 0.336 109.444 108.800 0.513 0.000 2.418 164 G HA2 0.053 4.013 3.960 0.000 0.000 0.217 164 G HA3 0.053 4.013 3.960 0.000 0.000 0.217 164 G C 1.864 176.969 174.900 0.342 0.000 1.158 164 G CA 2.684 48.079 45.100 0.491 0.000 0.771 164 G HN 1.384 nan 8.290 nan 0.000 0.545 165 T N -1.107 113.576 114.554 0.215 0.000 2.818 165 T HA -0.007 4.343 4.350 0.000 0.000 0.246 165 T C 2.317 177.054 174.700 0.062 0.000 1.036 165 T CA 1.320 63.496 62.100 0.126 0.000 1.160 165 T CB -0.717 68.180 68.868 0.048 0.000 0.869 165 T HN -0.018 nan 8.240 nan 0.000 0.419 166 V N 1.907 121.748 119.914 -0.120 0.000 2.250 166 V HA -0.183 3.937 4.120 0.000 0.000 0.250 166 V C 2.812 178.929 176.094 0.037 0.000 1.060 166 V CA 2.112 64.250 62.300 -0.269 0.000 1.030 166 V CB -0.953 30.377 31.823 -0.820 0.000 0.643 166 V HN 0.457 nan 8.190 nan 0.000 0.445 167 V N -1.195 118.790 119.914 0.120 0.000 2.423 167 V HA -0.046 4.074 4.120 0.000 0.000 0.233 167 V C 2.310 178.447 176.094 0.071 0.000 1.067 167 V CA 1.383 63.752 62.300 0.116 0.000 1.073 167 V CB -0.897 30.911 31.823 -0.026 0.000 0.715 167 V HN 0.499 nan 8.190 nan 0.000 0.485 168 H N 0.497 119.756 119.070 0.314 0.000 2.256 168 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 168 H C 2.361 177.849 175.328 0.267 0.000 1.071 168 H CA 2.219 58.447 56.048 0.301 0.000 1.280 168 H CB -0.538 29.441 29.762 0.363 0.000 1.370 168 H HN 0.306 nan 8.280 nan 0.000 0.490 169 I N 0.979 121.768 120.570 0.365 0.000 2.226 169 I HA -0.265 3.905 4.170 0.000 0.000 0.245 169 I C 2.513 178.826 176.117 0.327 0.000 1.100 169 I CA 1.147 62.627 61.300 0.301 0.000 1.374 169 I CB -0.379 37.773 38.000 0.254 0.000 1.057 169 I HN 0.171 nan 8.210 nan 0.000 0.413 170 N N 1.503 120.402 118.700 0.332 0.000 2.018 170 N HA -0.197 4.543 4.740 0.000 0.000 0.196 170 N C 1.862 177.674 175.510 0.504 0.000 1.043 170 N CA 2.229 55.545 53.050 0.443 0.000 0.856 170 N CB -0.268 38.484 38.487 0.442 0.000 1.042 170 N HN 0.355 nan 8.380 nan 0.000 0.423 171 A N 0.372 123.414 122.820 0.370 0.000 1.902 171 A HA 0.056 4.376 4.320 0.000 0.000 0.217 171 A C 2.393 180.066 177.584 0.148 0.000 1.181 171 A CA 2.178 54.301 52.037 0.144 0.000 0.623 171 A CB -1.257 17.789 19.000 0.076 0.000 0.818 171 A HN 0.450 nan 8.150 nan 0.000 0.443 172 A N 0.255 123.224 122.820 0.249 0.000 1.873 172 A HA -0.160 4.160 4.320 0.000 0.000 0.218 172 A C 2.043 179.873 177.584 0.410 0.000 1.193 172 A CA 1.868 54.106 52.037 0.335 0.000 0.629 172 A CB -0.591 18.607 19.000 0.330 0.000 0.826 172 A HN 0.434 nan 8.150 nan 0.000 0.447 173 I N -0.172 120.641 120.570 0.405 0.000 2.179 173 I HA -0.239 3.931 4.170 0.000 0.000 0.242 173 I C 2.995 179.260 176.117 0.246 0.000 1.088 173 I CA 1.470 62.972 61.300 0.336 0.000 1.357 173 I CB -1.726 36.480 38.000 0.343 0.000 1.051 173 I HN 0.378 nan 8.210 nan 0.000 0.409 174 A N 1.124 124.079 122.820 0.224 0.000 1.917 174 A HA -0.156 4.164 4.320 0.000 0.000 0.219 174 A C 2.506 180.148 177.584 0.097 0.000 1.182 174 A CA 2.115 54.233 52.037 0.134 0.000 0.633 174 A CB -1.343 17.466 19.000 -0.318 0.000 0.819 174 A HN 0.452 nan 8.150 nan 0.000 0.448 175 G N -0.666 108.158 108.800 0.040 0.000 2.404 175 G HA2 -0.137 3.823 3.960 0.000 0.000 0.215 175 G HA3 -0.137 3.823 3.960 0.000 0.000 0.215 175 G C 1.551 176.413 174.900 -0.063 0.000 1.174 175 G CA 0.786 45.873 45.100 -0.022 0.000 0.780 175 G HN 0.389 nan 8.290 nan 0.000 0.537 176 L N 0.582 121.805 121.223 -0.001 0.000 2.043 176 L HA -0.126 4.214 4.340 0.000 0.000 0.212 176 L C 3.016 179.841 176.870 -0.075 0.000 1.075 176 L CA 1.367 56.133 54.840 -0.123 0.000 0.752 176 L CB -0.346 41.601 42.059 -0.186 0.000 0.891 176 L HN 0.144 nan 8.230 nan 0.000 0.432 177 V N -0.092 119.850 119.914 0.047 0.000 2.295 177 V HA -0.237 3.883 4.120 0.000 0.000 0.246 177 V C 2.671 178.673 176.094 -0.154 0.000 1.049 177 V CA 1.918 64.273 62.300 0.092 0.000 1.024 177 V CB -1.248 30.703 31.823 0.214 0.000 0.648 177 V HN 0.631 nan 8.190 nan 0.000 0.447 178 G N -0.466 108.085 108.800 -0.416 0.000 2.446 178 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 178 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 178 G C 1.753 176.313 174.900 -0.567 0.000 1.168 178 G CA 1.060 45.553 45.100 -1.011 0.000 0.771 178 G HN 0.623 nan 8.290 nan 0.000 0.551 179 A N -0.365 122.225 122.820 -0.383 0.000 1.969 179 A HA 0.067 4.387 4.320 0.000 0.000 0.218 179 A C 2.177 179.573 177.584 -0.314 0.000 1.169 179 A CA 1.288 53.113 52.037 -0.353 0.000 0.635 179 A CB -0.529 18.249 19.000 -0.370 0.000 0.810 179 A HN 0.486 nan 8.150 nan 0.000 0.445 180 Y N -0.226 119.919 120.300 -0.259 0.000 2.163 180 Y HA -0.121 4.429 4.550 0.000 0.000 0.288 180 Y C 2.277 178.056 175.900 -0.202 0.000 1.136 180 Y CA 1.286 59.257 58.100 -0.215 0.000 1.147 180 Y CB -0.169 38.184 38.460 -0.179 0.000 0.987 180 Y HN 0.183 nan 8.280 nan 0.000 0.509 181 L N 0.095 121.287 121.223 -0.051 0.000 2.017 181 L HA -0.231 4.109 4.340 0.000 0.000 0.208 181 L C 2.324 179.121 176.870 -0.123 0.000 1.073 181 L CA 1.622 56.408 54.840 -0.089 0.000 0.745 181 L CB -0.687 41.300 42.059 -0.120 0.000 0.894 181 L HN 0.370 nan 8.230 nan 0.000 0.432 182 I N -2.341 118.109 120.570 -0.200 0.000 2.676 182 I HA 0.227 4.397 4.170 0.000 0.000 0.259 182 I C 1.100 177.134 176.117 -0.138 0.000 1.194 182 I CA 0.569 61.768 61.300 -0.168 0.000 1.473 182 I CB -0.809 37.069 38.000 -0.203 0.000 1.096 182 I HN 0.243 nan 8.210 nan 0.000 0.443 183 G N 1.926 110.635 108.800 -0.152 0.000 2.746 183 G HA2 -0.187 3.773 3.960 0.000 0.000 0.685 183 G HA3 -0.187 3.773 3.960 0.000 0.000 0.685 183 G C -0.653 174.115 174.900 -0.219 0.000 1.350 183 G CA -0.500 44.508 45.100 -0.154 0.000 0.837 183 G HN 0.473 nan 8.290 nan 0.000 0.564 184 K N 0.585 120.829 120.400 -0.261 0.000 2.414 184 K HA 0.217 4.537 4.320 0.000 0.000 0.272 184 K C 1.108 177.585 176.600 -0.207 0.000 0.993 184 K CA -0.041 56.016 56.287 -0.383 0.000 0.964 184 K CB 0.644 32.876 32.500 -0.447 0.000 0.925 184 K HN 0.542 nan 8.250 nan 0.000 0.487 185 R N 0.851 121.231 120.500 -0.199 0.000 2.643 185 R HA 0.033 4.373 4.340 0.000 0.000 0.270 185 R C 0.140 176.496 176.300 0.093 0.000 1.061 185 R CA -0.515 55.560 56.100 -0.043 0.000 1.107 185 R CB 0.211 30.476 30.300 -0.059 0.000 0.999 185 R HN 0.407 nan 8.270 nan 0.000 0.460 186 V N 0.499 120.486 119.914 0.122 0.000 2.694 186 V HA 0.242 4.362 4.120 0.000 0.000 0.306 186 V C 1.405 177.668 176.094 0.282 0.000 1.054 186 V CA 0.462 62.853 62.300 0.152 0.000 1.161 186 V CB 0.393 32.278 31.823 0.103 0.000 0.916 186 V HN 1.056 nan 8.190 nan 0.000 0.490 187 G N 2.841 111.788 108.800 0.246 0.000 2.176 187 G HA2 -0.306 3.654 3.960 0.000 0.000 0.253 187 G HA3 -0.306 3.654 3.960 0.000 0.000 0.253 187 G C -0.044 175.112 174.900 0.427 0.000 0.979 187 G CA 0.274 45.542 45.100 0.279 0.000 0.641 187 G HN 1.413 nan 8.290 nan 0.000 0.530 188 F N 1.962 122.048 119.950 0.226 0.000 2.519 188 F HA 0.386 4.913 4.527 -0.000 0.000 0.381 188 F C 1.538 177.386 175.800 0.079 0.000 1.076 188 F CA 1.765 59.807 58.000 0.069 0.000 1.095 188 F CB 0.120 39.036 39.000 -0.139 0.000 1.046 188 F HN 1.020 nan 8.300 nan 0.000 0.559 189 G N 4.391 113.015 108.800 -0.294 0.000 2.253 189 G HA2 -0.323 3.637 3.960 0.000 0.000 0.209 189 G HA3 -0.323 3.637 3.960 0.000 0.000 0.209 189 G C 0.773 175.636 174.900 -0.062 0.000 0.997 189 G CA 0.295 45.263 45.100 -0.220 0.000 0.640 189 G HN 0.761 nan 8.290 nan 0.000 0.496 190 K N 0.057 120.465 120.400 0.013 0.000 2.502 190 K HA 0.539 4.859 4.320 0.000 0.000 0.211 190 K C 0.479 177.071 176.600 -0.014 0.000 1.259 190 K CA 0.436 56.727 56.287 0.005 0.000 0.983 190 K CB 0.819 33.331 32.500 0.020 0.000 1.054 190 K HN 0.302 nan 8.250 nan 0.000 0.572 191 E N 0.837 121.038 120.200 0.001 0.000 2.221 191 E HA 0.607 4.957 4.350 0.000 0.000 0.268 191 E C -1.187 175.272 176.600 -0.236 0.000 0.933 191 E CA -1.196 55.109 56.400 -0.159 0.000 0.809 191 E CB 1.747 31.277 29.700 -0.284 0.000 1.190 191 E HN 0.308 nan 8.360 nan 0.000 0.406 192 A N 3.297 125.942 122.820 -0.291 0.000 2.409 192 A HA 0.360 4.680 4.320 0.000 0.000 0.262 192 A C -0.987 176.366 177.584 -0.385 0.000 1.113 192 A CA -0.028 51.885 52.037 -0.206 0.000 0.790 192 A CB -0.181 18.738 19.000 -0.134 0.000 1.046 192 A HN 0.537 nan 8.150 nan 0.000 0.496 193 F N 2.605 122.529 119.950 -0.043 0.000 2.449 193 F HA 0.258 4.785 4.527 0.000 0.000 0.329 193 F C 0.537 176.330 175.800 -0.012 0.000 1.245 193 F CA -0.310 57.679 58.000 -0.018 0.000 1.193 193 F CB 0.979 39.972 39.000 -0.012 0.000 1.425 193 F HN 0.496 nan 8.300 nan 0.000 0.544 194 K N 1.703 122.156 120.400 0.088 0.000 2.202 194 K HA 0.366 4.686 4.320 0.000 0.000 0.264 194 K C -2.446 174.202 176.600 0.080 0.000 1.010 194 K CA -1.734 54.589 56.287 0.061 0.000 0.940 194 K CB 0.320 32.830 32.500 0.016 0.000 0.983 194 K HN 0.069 nan 8.250 nan 0.000 0.475 195 P HA -0.035 nan 4.420 nan 0.000 0.271 195 P C 0.100 177.431 177.300 0.050 0.000 1.216 195 P CA -0.003 63.123 63.100 0.044 0.000 0.771 195 P CB 0.406 32.089 31.700 -0.029 0.000 0.864 196 H N 1.837 120.915 119.070 0.014 0.000 2.436 196 H HA 0.049 4.605 4.556 0.000 0.000 0.294 196 H C -0.281 175.044 175.328 -0.006 0.000 1.048 196 H CA 0.881 56.936 56.048 0.012 0.000 1.353 196 H CB 0.310 30.103 29.762 0.051 0.000 1.414 196 H HN 0.251 nan 8.280 nan 0.000 0.536 197 N N 0.638 118.935 118.700 -0.671 0.000 2.640 197 N HA 0.132 4.872 4.740 0.000 0.000 0.262 197 N C 0.498 175.848 175.510 -0.267 0.000 1.174 197 N CA -0.236 52.514 53.050 -0.500 0.000 0.791 197 N CB 1.036 39.111 38.487 -0.688 0.000 1.279 197 N HN 0.183 nan 8.380 nan 0.000 0.535 198 L N 2.490 123.616 121.223 -0.163 0.000 2.141 198 L HA 0.048 4.388 4.340 0.000 0.000 0.209 198 L C -0.746 176.102 176.870 -0.038 0.000 1.094 198 L CA 1.004 55.784 54.840 -0.101 0.000 0.763 198 L CB -0.748 41.259 42.059 -0.088 0.000 0.908 198 L HN 0.365 nan 8.230 nan 0.000 0.437 199 P HA -0.222 nan 4.420 nan 0.000 0.216 199 P C 1.795 179.148 177.300 0.089 0.000 1.150 199 P CA 1.483 64.607 63.100 0.040 0.000 0.837 199 P CB 0.008 31.705 31.700 -0.004 0.000 0.786 200 M N -0.752 118.850 119.600 0.003 0.000 2.175 200 M HA -0.124 4.356 4.480 0.000 0.000 0.264 200 M C 1.485 177.791 176.300 0.009 0.000 1.063 200 M CA 1.738 57.041 55.300 0.005 0.000 1.119 200 M CB -0.309 32.270 32.600 -0.035 0.000 1.377 200 M HN -0.225 nan 8.290 nan 0.000 0.415 201 V N 0.308 120.209 119.914 -0.022 0.000 2.427 201 V HA -0.256 3.864 4.120 0.000 0.000 0.248 201 V C 2.133 178.279 176.094 0.087 0.000 1.051 201 V CA 1.855 64.126 62.300 -0.049 0.000 1.048 201 V CB -1.118 30.605 31.823 -0.167 0.000 0.666 201 V HN 0.596 nan 8.190 nan 0.000 0.456 202 F N 1.730 121.666 119.950 -0.023 0.000 2.146 202 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 202 F C 2.363 178.172 175.800 0.016 0.000 1.096 202 F CA 2.119 60.115 58.000 -0.006 0.000 1.275 202 F CB -0.657 38.320 39.000 -0.039 0.000 1.008 202 F HN 0.108 nan 8.300 nan 0.000 0.480 203 T N 0.159 114.669 114.554 -0.072 0.000 2.684 203 T HA -0.150 4.200 4.350 0.000 0.000 0.267 203 T C 2.188 176.764 174.700 -0.206 0.000 1.036 203 T CA 1.605 63.609 62.100 -0.161 0.000 1.148 203 T CB -1.337 67.534 68.868 0.005 0.000 0.863 203 T HN 0.474 nan 8.240 nan 0.000 0.436 204 G N 1.029 109.775 108.800 -0.089 0.000 2.418 204 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 204 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 204 G C 1.729 176.548 174.900 -0.135 0.000 1.158 204 G CA 1.468 46.523 45.100 -0.075 0.000 0.771 204 G HN 0.457 nan 8.290 nan 0.000 0.545 205 T N 1.763 116.278 114.554 -0.065 0.000 2.652 205 T HA -0.065 4.285 4.350 0.000 0.000 0.267 205 T C 2.836 177.385 174.700 -0.252 0.000 1.039 205 T CA 1.794 63.791 62.100 -0.172 0.000 1.153 205 T CB -0.509 68.307 68.868 -0.086 0.000 0.863 205 T HN 0.384 nan 8.240 nan 0.000 0.428 206 A N 1.035 123.613 122.820 -0.404 0.000 1.883 206 A HA -0.080 4.240 4.320 0.000 0.000 0.217 206 A C 2.324 179.841 177.584 -0.111 0.000 1.186 206 A CA 1.480 53.338 52.037 -0.298 0.000 0.624 206 A CB -0.898 17.796 19.000 -0.511 0.000 0.822 206 A HN 0.535 nan 8.150 nan 0.000 0.444 207 I N -0.528 119.905 120.570 -0.228 0.000 2.226 207 I HA -0.276 3.894 4.170 0.000 0.000 0.245 207 I C 2.441 178.375 176.117 -0.305 0.000 1.100 207 I CA 1.170 62.247 61.300 -0.371 0.000 1.374 207 I CB -0.317 37.275 38.000 -0.680 0.000 1.057 207 I HN 0.315 nan 8.210 nan 0.000 0.413 208 L N -0.531 120.547 121.223 -0.243 0.000 2.012 208 L HA -0.285 4.055 4.340 0.000 0.000 0.210 208 L C 2.697 179.610 176.870 0.072 0.000 1.073 208 L CA 1.660 56.418 54.840 -0.138 0.000 0.748 208 L CB -0.775 41.177 42.059 -0.178 0.000 0.891 208 L HN 0.278 nan 8.230 nan 0.000 0.431 209 Y N 0.437 120.680 120.300 -0.096 0.000 2.145 209 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 209 Y C 2.418 178.301 175.900 -0.029 0.000 1.145 209 Y CA 1.485 59.511 58.100 -0.124 0.000 1.148 209 Y CB -0.036 38.331 38.460 -0.154 0.000 0.981 209 Y HN -0.019 nan 8.280 nan 0.000 0.507 210 I N 0.370 120.952 120.570 0.021 0.000 2.202 210 I HA -0.172 3.998 4.170 0.000 0.000 0.242 210 I C 2.694 178.952 176.117 0.236 0.000 1.091 210 I CA 1.585 62.990 61.300 0.175 0.000 1.368 210 I CB -2.053 36.114 38.000 0.278 0.000 1.058 210 I HN 0.405 nan 8.210 nan 0.000 0.410 211 G N -0.481 108.424 108.800 0.174 0.000 2.448 211 G HA2 -0.259 3.701 3.960 0.000 0.000 0.219 211 G HA3 -0.259 3.701 3.960 0.000 0.000 0.219 211 G C 1.527 176.483 174.900 0.093 0.000 1.127 211 G CA -0.049 45.158 45.100 0.178 0.000 0.766 211 G HN 0.385 nan 8.290 nan 0.000 0.552 212 W N 0.536 121.703 121.300 -0.221 0.000 2.611 212 W HA 0.062 4.722 4.660 -0.000 0.000 0.251 212 W C 1.514 177.877 176.519 -0.260 0.000 1.265 212 W CA 0.202 57.372 57.345 -0.291 0.000 1.295 212 W CB -0.279 28.900 29.460 -0.468 0.000 1.129 212 W HN 0.257 nan 8.180 nan 0.000 0.630 213 F N 0.087 120.078 119.950 0.069 0.000 2.206 213 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 213 F C 2.660 178.527 175.800 0.111 0.000 1.090 213 F CA 1.795 59.745 58.000 -0.083 0.000 1.323 213 F CB -1.261 37.539 39.000 -0.333 0.000 1.028 213 F HN -0.183 nan 8.300 nan 0.000 0.492 214 G N -1.250 107.726 108.800 0.293 0.000 2.448 214 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 214 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 214 G C 1.611 176.725 174.900 0.357 0.000 1.135 214 G CA 0.288 45.525 45.100 0.229 0.000 0.784 214 G HN 0.315 nan 8.290 nan 0.000 0.543 215 F N 1.799 121.820 119.950 0.118 0.000 2.060 215 F HA -0.028 4.499 4.527 0.000 0.000 0.295 215 F C 2.486 178.479 175.800 0.322 0.000 1.120 215 F CA 1.718 59.728 58.000 0.018 0.000 1.205 215 F CB -0.005 38.697 39.000 -0.497 0.000 0.986 215 F HN 0.031 nan 8.300 nan 0.000 0.470 216 N N 0.525 119.558 118.700 0.556 0.000 2.092 216 N HA -0.064 4.676 4.740 0.000 0.000 0.189 216 N C 1.911 177.730 175.510 0.515 0.000 1.040 216 N CA 1.652 55.034 53.050 0.552 0.000 0.845 216 N CB -1.077 37.726 38.487 0.527 0.000 1.017 216 N HN 0.350 nan 8.380 nan 0.000 0.426 217 A N 0.456 123.553 122.820 0.461 0.000 1.969 217 A HA 0.037 4.357 4.320 0.000 0.000 0.218 217 A C 2.284 180.132 177.584 0.441 0.000 1.169 217 A CA 1.823 54.169 52.037 0.516 0.000 0.635 217 A CB -1.153 18.237 19.000 0.650 0.000 0.810 217 A HN 0.369 nan 8.150 nan 0.000 0.445 218 G N -0.796 108.155 108.800 0.252 0.000 2.432 218 G HA2 -0.150 3.810 3.960 0.000 0.000 0.219 218 G HA3 -0.150 3.810 3.960 0.000 0.000 0.219 218 G C 1.644 176.471 174.900 -0.121 0.000 1.135 218 G CA 1.146 46.191 45.100 -0.091 0.000 0.767 218 G HN 0.465 nan 8.290 nan 0.000 0.550 219 S N 0.637 116.410 115.700 0.121 0.000 2.528 219 S HA 0.054 4.524 4.470 0.000 0.000 0.244 219 S C 2.477 176.845 174.600 -0.386 0.000 0.982 219 S CA 0.816 58.862 58.200 -0.258 0.000 0.953 219 S CB -0.151 62.704 63.200 -0.575 0.000 0.754 219 S HN 0.600 nan 8.310 nan 0.000 0.529 220 A N 0.383 123.217 122.820 0.024 0.000 2.067 220 A HA 0.413 4.733 4.320 0.000 0.000 0.217 220 A C 1.972 179.562 177.584 0.010 0.000 1.156 220 A CA 1.168 53.299 52.037 0.156 0.000 0.683 220 A CB -0.756 18.424 19.000 0.300 0.000 0.808 220 A HN 0.838 nan 8.150 nan 0.000 0.455 221 G N -2.126 106.635 108.800 -0.066 0.000 2.234 221 G HA2 -0.184 3.776 3.960 0.000 0.000 0.260 221 G HA3 -0.184 3.776 3.960 0.000 0.000 0.260 221 G C 0.505 175.400 174.900 -0.008 0.000 0.987 221 G CA 1.278 46.314 45.100 -0.107 0.000 0.625 221 G HN 1.706 nan 8.290 nan 0.000 0.532 222 T N -1.818 112.786 114.554 0.083 0.000 2.840 222 T HA 0.687 5.037 4.350 0.000 0.000 0.317 222 T C -0.125 174.516 174.700 -0.098 0.000 1.401 222 T CA 0.635 62.767 62.100 0.053 0.000 1.028 222 T CB 1.204 70.059 68.868 -0.021 0.000 1.317 222 T HN 1.710 nan 8.240 nan 0.000 0.495 223 A N 3.984 126.563 122.820 -0.401 0.000 3.077 223 A HA 0.431 4.751 4.320 0.000 0.000 0.255 223 A C 0.660 178.019 177.584 -0.375 0.000 1.728 223 A CA -0.448 51.088 52.037 -0.834 0.000 1.383 223 A CB -1.402 16.993 19.000 -1.008 0.000 1.097 223 A HN 0.796 nan 8.150 nan 0.000 0.634 224 N N -0.425 118.144 118.700 -0.219 0.000 2.938 224 N HA 0.131 4.871 4.740 0.000 0.000 0.335 224 N C 0.945 176.403 175.510 -0.087 0.000 1.358 224 N CA -0.130 52.847 53.050 -0.122 0.000 0.812 224 N CB 0.142 38.589 38.487 -0.066 0.000 1.233 224 N HN 0.225 nan 8.380 nan 0.000 0.593 225 E N -0.170 119.999 120.200 -0.052 0.000 2.204 225 E HA -0.114 4.236 4.350 0.000 0.000 0.194 225 E C 1.395 177.986 176.600 -0.014 0.000 0.989 225 E CA 0.834 57.214 56.400 -0.034 0.000 0.824 225 E CB -0.258 29.426 29.700 -0.028 0.000 0.756 225 E HN 0.544 nan 8.360 nan 0.000 0.477 226 I N 1.986 122.555 120.570 -0.002 0.000 2.353 226 I HA -0.094 4.076 4.170 0.000 0.000 0.248 226 I C 2.667 178.819 176.117 0.058 0.000 1.119 226 I CA 1.013 62.314 61.300 0.002 0.000 1.417 226 I CB -1.593 36.427 38.000 0.034 0.000 1.078 226 I HN 0.129 nan 8.210 nan 0.000 0.421 227 A N 1.148 124.028 122.820 0.100 0.000 1.877 227 A HA -0.138 4.182 4.320 0.000 0.000 0.216 227 A C 2.579 180.290 177.584 0.211 0.000 1.186 227 A CA 2.129 54.284 52.037 0.197 0.000 0.620 227 A CB -0.825 18.228 19.000 0.088 0.000 0.822 227 A HN 0.396 nan 8.150 nan 0.000 0.443 228 A N -0.679 122.197 122.820 0.093 0.000 1.933 228 A HA -0.011 4.309 4.320 0.000 0.000 0.218 228 A C 2.139 179.806 177.584 0.139 0.000 1.175 228 A CA 1.696 53.788 52.037 0.092 0.000 0.628 228 A CB -0.597 18.396 19.000 -0.011 0.000 0.814 228 A HN 0.683 nan 8.150 nan 0.000 0.444 229 L N -0.143 121.124 121.223 0.074 0.000 2.017 229 L HA -0.077 4.263 4.340 0.000 0.000 0.208 229 L C 2.671 179.588 176.870 0.078 0.000 1.073 229 L CA 2.296 57.163 54.840 0.045 0.000 0.745 229 L CB -0.751 41.289 42.059 -0.032 0.000 0.894 229 L HN 0.327 nan 8.230 nan 0.000 0.432 230 A N -1.287 121.577 122.820 0.073 0.000 1.972 230 A HA -0.244 4.076 4.320 0.000 0.000 0.219 230 A C 2.212 179.948 177.584 0.253 0.000 1.169 230 A CA 1.829 53.936 52.037 0.117 0.000 0.635 230 A CB -1.076 18.035 19.000 0.184 0.000 0.810 230 A HN 0.526 nan 8.150 nan 0.000 0.446 231 F N 0.471 120.547 119.950 0.209 0.000 2.060 231 F HA -0.141 4.386 4.527 0.000 0.000 0.295 231 F C 2.417 178.369 175.800 0.254 0.000 1.120 231 F CA 2.023 60.201 58.000 0.297 0.000 1.205 231 F CB -0.440 38.689 39.000 0.215 0.000 0.986 231 F HN 0.030 nan 8.300 nan 0.000 0.470 232 V N 0.824 121.008 119.914 0.449 0.000 2.332 232 V HA -0.361 3.759 4.120 0.000 0.000 0.248 232 V C 2.145 178.360 176.094 0.202 0.000 1.055 232 V CA 2.142 64.620 62.300 0.297 0.000 1.038 232 V CB -0.928 31.003 31.823 0.180 0.000 0.651 232 V HN 0.372 nan 8.190 nan 0.000 0.450 233 N N 0.159 118.948 118.700 0.149 0.000 2.223 233 N HA -0.134 4.606 4.740 0.000 0.000 0.185 233 N C 1.889 177.440 175.510 0.069 0.000 1.016 233 N CA 1.916 55.017 53.050 0.085 0.000 0.863 233 N CB -0.568 37.951 38.487 0.053 0.000 0.983 233 N HN 0.516 nan 8.380 nan 0.000 0.429 234 T N 0.576 115.177 114.554 0.079 0.000 2.777 234 T HA -0.013 4.337 4.350 0.000 0.000 0.266 234 T C 2.195 176.929 174.700 0.056 0.000 1.040 234 T CA 0.610 62.690 62.100 -0.033 0.000 1.141 234 T CB -0.260 68.487 68.868 -0.201 0.000 0.868 234 T HN -0.035 nan 8.240 nan 0.000 0.444 235 V N 1.222 121.273 119.914 0.228 0.000 2.261 235 V HA -0.148 3.972 4.120 0.000 0.000 0.246 235 V C 2.667 178.867 176.094 0.177 0.000 1.047 235 V CA 1.343 63.833 62.300 0.316 0.000 1.015 235 V CB -0.662 31.384 31.823 0.373 0.000 0.642 235 V HN 0.297 nan 8.190 nan 0.000 0.446 236 V N 0.290 120.278 119.914 0.123 0.000 2.237 236 V HA -0.279 3.841 4.120 0.000 0.000 0.245 236 V C 2.736 178.843 176.094 0.023 0.000 1.046 236 V CA 2.215 64.555 62.300 0.067 0.000 1.007 236 V CB -1.247 30.605 31.823 0.049 0.000 0.638 236 V HN 0.561 nan 8.190 nan 0.000 0.445 237 A N -0.252 122.566 122.820 -0.003 0.000 1.908 237 A HA -0.258 4.062 4.320 0.000 0.000 0.218 237 A C 2.372 179.919 177.584 -0.062 0.000 1.181 237 A CA 2.698 54.709 52.037 -0.044 0.000 0.627 237 A CB -1.037 17.925 19.000 -0.063 0.000 0.818 237 A HN 0.553 nan 8.150 nan 0.000 0.445 238 T N 0.166 114.679 114.554 -0.068 0.000 2.777 238 T HA 0.041 4.391 4.350 0.000 0.000 0.266 238 T C 2.234 176.882 174.700 -0.087 0.000 1.040 238 T CA 1.489 63.520 62.100 -0.115 0.000 1.141 238 T CB -0.445 68.360 68.868 -0.105 0.000 0.868 238 T HN 0.603 nan 8.240 nan 0.000 0.444 239 A N 1.565 124.367 122.820 -0.030 0.000 1.902 239 A HA 0.196 4.516 4.320 0.000 0.000 0.217 239 A C 2.665 180.260 177.584 0.017 0.000 1.181 239 A CA 1.769 53.802 52.037 -0.007 0.000 0.623 239 A CB -1.153 17.866 19.000 0.032 0.000 0.818 239 A HN 0.497 nan 8.150 nan 0.000 0.443 240 A N -0.101 122.727 122.820 0.014 0.000 1.902 240 A HA 0.136 4.456 4.320 0.000 0.000 0.217 240 A C 2.498 180.109 177.584 0.044 0.000 1.181 240 A CA 2.183 54.234 52.037 0.024 0.000 0.623 240 A CB -1.015 17.983 19.000 -0.002 0.000 0.818 240 A HN 1.078 nan 8.150 nan 0.000 0.443 241 A N -0.370 122.463 122.820 0.021 0.000 1.969 241 A HA -0.021 4.299 4.320 0.000 0.000 0.218 241 A C 2.097 179.744 177.584 0.105 0.000 1.169 241 A CA 1.381 53.452 52.037 0.057 0.000 0.635 241 A CB -0.560 18.443 19.000 0.005 0.000 0.810 241 A HN 0.494 nan 8.150 nan 0.000 0.445 242 I N -0.341 120.255 120.570 0.044 0.000 2.179 242 I HA -0.271 3.899 4.170 0.000 0.000 0.242 242 I C 2.293 178.503 176.117 0.154 0.000 1.088 242 I CA 1.243 62.570 61.300 0.045 0.000 1.357 242 I CB -0.259 37.728 38.000 -0.021 0.000 1.051 242 I HN 0.293 nan 8.210 nan 0.000 0.409 243 L N 0.001 121.336 121.223 0.188 0.000 2.093 243 L HA -0.077 4.263 4.340 0.000 0.000 0.208 243 L C 2.642 179.753 176.870 0.401 0.000 1.085 243 L CA 1.309 56.355 54.840 0.343 0.000 0.755 243 L CB -1.138 41.090 42.059 0.282 0.000 0.904 243 L HN 0.298 nan 8.230 nan 0.000 0.435 244 G N -0.510 108.444 108.800 0.257 0.000 2.433 244 G HA2 -0.286 3.674 3.960 0.000 0.000 0.216 244 G HA3 -0.286 3.674 3.960 0.000 0.000 0.216 244 G C 1.350 176.423 174.900 0.289 0.000 1.186 244 G CA 0.328 45.563 45.100 0.224 0.000 0.779 244 G HN 0.385 nan 8.290 nan 0.000 0.543 245 W N 1.231 122.597 121.300 0.109 0.000 2.354 245 W HA -0.059 4.601 4.660 0.000 0.000 0.315 245 W C 2.284 178.866 176.519 0.105 0.000 1.206 245 W CA 0.816 58.216 57.345 0.091 0.000 1.290 245 W CB -0.593 28.895 29.460 0.047 0.000 1.152 245 W HN 0.092 nan 8.180 nan 0.000 0.489 246 I N 0.400 121.236 120.570 0.444 0.000 2.118 246 I HA -0.336 3.834 4.170 0.000 0.000 0.241 246 I C 2.446 178.697 176.117 0.223 0.000 1.070 246 I CA 1.809 63.250 61.300 0.235 0.000 1.327 246 I CB -1.731 36.304 38.000 0.059 0.000 1.034 246 I HN -0.128 nan 8.210 nan 0.000 0.405 247 F N 0.729 120.853 119.950 0.289 0.000 2.186 247 F HA -0.069 4.458 4.527 0.000 0.000 0.299 247 F C 2.586 178.514 175.800 0.213 0.000 1.090 247 F CA 1.340 59.511 58.000 0.285 0.000 1.307 247 F CB -1.021 38.081 39.000 0.170 0.000 1.019 247 F HN 0.080 nan 8.300 nan 0.000 0.489 248 G N -0.738 108.249 108.800 0.313 0.000 2.421 248 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 248 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 248 G C 1.541 176.525 174.900 0.140 0.000 1.171 248 G CA 0.855 46.050 45.100 0.158 0.000 0.775 248 G HN 0.365 nan 8.290 nan 0.000 0.543 249 E N -0.960 119.338 120.200 0.162 0.000 2.106 249 E HA -0.120 4.230 4.350 0.000 0.000 0.192 249 E C 2.086 178.813 176.600 0.212 0.000 0.984 249 E CA 0.558 57.054 56.400 0.160 0.000 0.806 249 E CB -0.184 29.659 29.700 0.237 0.000 0.750 249 E HN 0.512 nan 8.360 nan 0.000 0.458 250 W N 0.977 122.296 121.300 0.032 0.000 2.358 250 W HA -0.053 4.607 4.660 0.000 0.000 0.303 250 W C 2.112 178.648 176.519 0.028 0.000 1.208 250 W CA 1.765 59.106 57.345 -0.006 0.000 1.274 250 W CB -0.682 28.721 29.460 -0.095 0.000 1.138 250 W HN 0.152 nan 8.180 nan 0.000 0.515 251 A N -0.209 122.785 122.820 0.290 0.000 1.872 251 A HA -0.103 4.217 4.320 0.000 0.000 0.214 251 A C 2.257 179.915 177.584 0.123 0.000 1.187 251 A CA 1.602 53.728 52.037 0.148 0.000 0.614 251 A CB -0.903 18.166 19.000 0.116 0.000 0.826 251 A HN 0.250 nan 8.150 nan 0.000 0.442 252 L N -1.969 119.325 121.223 0.119 0.000 2.068 252 L HA 0.025 4.365 4.340 0.000 0.000 0.204 252 L C 2.635 179.556 176.870 0.085 0.000 1.076 252 L CA 1.001 55.891 54.840 0.083 0.000 0.753 252 L CB -0.211 41.884 42.059 0.061 0.000 0.910 252 L HN 0.149 nan 8.230 nan 0.000 0.439 253 R N -0.377 120.183 120.500 0.101 0.000 2.254 253 R HA 0.165 4.505 4.340 0.000 0.000 0.195 253 R C 1.236 177.593 176.300 0.096 0.000 0.957 253 R CA 0.629 56.779 56.100 0.083 0.000 1.024 253 R CB 0.176 30.517 30.300 0.069 0.000 0.952 253 R HN 0.383 nan 8.270 nan 0.000 0.484 254 G N -0.290 108.606 108.800 0.161 0.000 2.195 254 G HA2 -0.283 3.677 3.960 0.000 0.000 0.246 254 G HA3 -0.283 3.677 3.960 0.000 0.000 0.246 254 G C -0.026 174.984 174.900 0.182 0.000 0.984 254 G CA 0.287 45.508 45.100 0.201 0.000 0.633 254 G HN 0.305 nan 8.290 nan 0.000 0.525 255 K N 0.562 120.980 120.400 0.030 0.000 2.523 255 K HA 0.547 4.867 4.320 0.000 0.000 0.257 255 K C -2.980 173.396 176.600 -0.374 0.000 0.932 255 K CA -1.832 54.313 56.287 -0.237 0.000 0.812 255 K CB 3.342 35.755 32.500 -0.145 0.000 1.326 255 K HN -0.026 nan 8.250 nan 0.000 0.433 256 P HA 0.098 nan 4.420 nan 0.000 0.291 256 P C -0.861 176.231 177.300 -0.347 0.000 1.378 256 P CA -0.505 62.259 63.100 -0.561 0.000 0.853 256 P CB 1.046 32.160 31.700 -0.978 0.000 1.002 257 S N 3.094 118.683 115.700 -0.186 0.000 2.646 257 S HA 0.236 4.706 4.470 0.000 0.000 0.276 257 S C 1.131 175.643 174.600 -0.147 0.000 1.222 257 S CA -0.707 57.405 58.200 -0.145 0.000 1.014 257 S CB 0.916 64.069 63.200 -0.077 0.000 0.991 257 S HN 0.260 nan 8.310 nan 0.000 0.533 258 L N 1.347 122.487 121.223 -0.139 0.000 2.056 258 L HA 0.079 4.419 4.340 0.000 0.000 0.207 258 L C 2.047 178.846 176.870 -0.119 0.000 1.078 258 L CA 1.548 56.311 54.840 -0.128 0.000 0.749 258 L CB -1.050 40.935 42.059 -0.123 0.000 0.901 258 L HN 0.775 nan 8.230 nan 0.000 0.433 259 L N 0.228 121.382 121.223 -0.116 0.000 2.042 259 L HA -0.041 4.299 4.340 0.000 0.000 0.210 259 L C 2.384 179.091 176.870 -0.272 0.000 1.076 259 L CA 2.077 56.833 54.840 -0.139 0.000 0.749 259 L CB -1.580 40.423 42.059 -0.093 0.000 0.893 259 L HN 0.362 nan 8.230 nan 0.000 0.432 260 G N -1.135 107.519 108.800 -0.243 0.000 2.446 260 G HA2 -0.309 3.651 3.960 0.000 0.000 0.217 260 G HA3 -0.309 3.651 3.960 0.000 0.000 0.217 260 G C 1.622 176.132 174.900 -0.649 0.000 1.168 260 G CA 1.061 45.885 45.100 -0.460 0.000 0.771 260 G HN 0.636 nan 8.290 nan 0.000 0.551 261 A N -0.103 122.532 122.820 -0.308 0.000 1.877 261 A HA -0.092 4.228 4.320 0.000 0.000 0.216 261 A C 2.628 180.062 177.584 -0.250 0.000 1.186 261 A CA 1.892 53.795 52.037 -0.222 0.000 0.620 261 A CB -1.046 17.879 19.000 -0.124 0.000 0.822 261 A HN 0.443 nan 8.150 nan 0.000 0.443 262 C N -0.695 118.481 119.300 -0.206 0.000 2.432 262 C HA -0.069 4.391 4.460 0.000 0.000 0.277 262 C C 3.280 178.128 174.990 -0.238 0.000 1.249 262 C CA 1.336 60.278 59.018 -0.126 0.000 1.725 262 C CB -1.290 26.463 27.740 0.022 0.000 2.028 262 C HN 0.629 nan 8.230 nan 0.000 0.477 263 S N 0.760 116.184 115.700 -0.459 0.000 2.370 263 S HA -0.091 4.379 4.470 0.000 0.000 0.226 263 S C 2.078 176.257 174.600 -0.702 0.000 1.033 263 S CA 1.577 59.366 58.200 -0.686 0.000 1.011 263 S CB -0.804 61.572 63.200 -1.374 0.000 0.852 263 S HN 0.770 nan 8.310 nan 0.000 0.457 264 G N 1.554 109.902 108.800 -0.752 0.000 2.446 264 G HA2 -0.097 3.863 3.960 0.000 0.000 0.217 264 G HA3 -0.097 3.863 3.960 0.000 0.000 0.217 264 G C 1.601 176.399 174.900 -0.169 0.000 1.168 264 G CA 0.985 45.963 45.100 -0.204 0.000 0.771 264 G HN 0.588 nan 8.290 nan 0.000 0.551 265 A N 1.118 123.792 122.820 -0.244 0.000 1.892 265 A HA -0.073 4.247 4.320 0.000 0.000 0.218 265 A C 2.359 179.736 177.584 -0.346 0.000 1.188 265 A CA 1.755 53.625 52.037 -0.279 0.000 0.631 265 A CB -0.353 18.466 19.000 -0.302 0.000 0.822 265 A HN 0.308 nan 8.150 nan 0.000 0.447 266 I N -0.106 120.252 120.570 -0.353 0.000 2.252 266 I HA -0.223 3.947 4.170 0.000 0.000 0.245 266 I C 2.948 178.809 176.117 -0.426 0.000 1.102 266 I CA 1.422 62.457 61.300 -0.441 0.000 1.385 266 I CB -1.812 35.960 38.000 -0.379 0.000 1.064 266 I HN 0.361 nan 8.210 nan 0.000 0.414 267 A N 1.367 124.037 122.820 -0.251 0.000 1.917 267 A HA -0.147 4.173 4.320 0.000 0.000 0.219 267 A C 2.516 179.997 177.584 -0.171 0.000 1.182 267 A CA 2.140 54.097 52.037 -0.133 0.000 0.633 267 A CB -1.339 17.733 19.000 0.120 0.000 0.819 267 A HN 0.453 nan 8.150 nan 0.000 0.448 268 G N -0.572 108.111 108.800 -0.196 0.000 2.394 268 G HA2 -0.045 3.915 3.960 0.000 0.000 0.215 268 G HA3 -0.045 3.915 3.960 0.000 0.000 0.215 268 G C 1.556 176.270 174.900 -0.311 0.000 1.165 268 G CA 0.850 45.836 45.100 -0.191 0.000 0.784 268 G HN 0.417 nan 8.290 nan 0.000 0.535 269 L N 0.295 121.182 121.223 -0.560 0.000 2.012 269 L HA -0.134 4.206 4.340 0.000 0.000 0.210 269 L C 3.027 179.513 176.870 -0.641 0.000 1.073 269 L CA 0.795 55.040 54.840 -0.992 0.000 0.748 269 L CB -0.565 40.285 42.059 -2.014 0.000 0.891 269 L HN 0.093 nan 8.230 nan 0.000 0.431 270 V N 0.042 119.640 119.914 -0.527 0.000 2.237 270 V HA -0.246 3.874 4.120 0.000 0.000 0.245 270 V C 2.645 178.681 176.094 -0.097 0.000 1.046 270 V CA 2.102 64.193 62.300 -0.349 0.000 1.007 270 V CB -1.500 30.032 31.823 -0.486 0.000 0.638 270 V HN 0.591 nan 8.190 nan 0.000 0.445 271 G N -0.820 107.920 108.800 -0.101 0.000 2.505 271 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 271 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 271 G C 1.662 176.598 174.900 0.059 0.000 1.145 271 G CA 1.359 46.456 45.100 -0.005 0.000 0.761 271 G HN 0.413 nan 8.290 nan 0.000 0.571 272 V N 0.431 120.362 119.914 0.028 0.000 3.541 272 V HA 0.019 4.139 4.120 0.000 0.000 0.267 272 V C 2.795 179.039 176.094 0.249 0.000 1.213 272 V CA 1.807 64.162 62.300 0.093 0.000 1.149 272 V CB -0.359 31.470 31.823 0.010 0.000 0.822 272 V HN 0.387 nan 8.190 nan 0.000 0.462 273 T N 2.045 116.817 114.554 0.363 0.000 2.635 273 T HA -0.092 4.258 4.350 0.000 0.000 0.267 273 T C -0.327 174.746 174.700 0.621 0.000 1.040 273 T CA 2.243 64.734 62.100 0.651 0.000 1.156 273 T CB -0.946 68.502 68.868 0.967 0.000 0.863 273 T HN 0.542 nan 8.240 nan 0.000 0.430 274 P HA 0.303 nan 4.420 nan 0.000 0.245 274 P C 0.609 178.233 177.300 0.541 0.000 1.206 274 P CA 0.576 64.004 63.100 0.548 0.000 0.781 274 P CB 0.089 32.051 31.700 0.437 0.000 0.994 275 A N -0.160 122.908 122.820 0.413 0.000 2.108 275 A HA 0.028 4.348 4.320 0.000 0.000 0.206 275 A C 2.286 179.991 177.584 0.202 0.000 1.212 275 A CA 0.693 52.934 52.037 0.340 0.000 0.843 275 A CB -1.498 17.641 19.000 0.232 0.000 0.902 275 A HN 0.348 nan 8.150 nan 0.000 0.477 276 C N -0.761 118.634 119.300 0.157 0.000 2.391 276 C HA -0.115 4.345 4.460 0.000 0.000 0.276 276 C C 2.505 177.329 174.990 -0.277 0.000 1.191 276 C CA 1.026 60.055 59.018 0.020 0.000 1.808 276 C CB -1.783 26.043 27.740 0.143 0.000 2.095 276 C HN 0.527 nan 8.230 nan 0.000 0.478 277 G N -2.175 106.112 108.800 -0.854 0.000 2.712 277 G HA2 0.185 4.145 3.960 0.000 0.000 0.212 277 G HA3 0.185 4.145 3.960 0.000 0.000 0.212 277 G C 1.073 175.455 174.900 -0.864 0.000 1.142 277 G CA 0.624 44.773 45.100 -1.584 0.000 0.789 277 G HN 0.670 nan 8.290 nan 0.000 0.535 278 Y N 0.241 120.390 120.300 -0.252 0.000 2.535 278 Y HA 0.363 4.913 4.550 -0.000 0.000 0.266 278 Y C 1.473 177.361 175.900 -0.019 0.000 1.088 278 Y CA -1.107 56.957 58.100 -0.060 0.000 1.285 278 Y CB 0.264 38.761 38.460 0.061 0.000 1.166 278 Y HN 0.175 nan 8.280 nan 0.000 0.525 279 I N -1.489 119.165 120.570 0.141 0.000 2.918 279 I HA 0.775 4.945 4.170 0.000 0.000 0.316 279 I C 0.737 176.893 176.117 0.065 0.000 1.001 279 I CA -1.025 60.349 61.300 0.122 0.000 1.142 279 I CB 0.986 39.066 38.000 0.132 0.000 1.356 279 I HN 0.013 nan 8.210 nan 0.000 0.524 280 G N 1.095 109.943 108.800 0.080 0.000 2.547 280 G HA2 0.337 4.297 3.960 0.000 0.000 0.291 280 G HA3 0.337 4.297 3.960 0.000 0.000 0.291 280 G C 0.523 175.446 174.900 0.039 0.000 1.211 280 G CA -0.474 44.660 45.100 0.056 0.000 0.950 280 G HN 0.675 nan 8.290 nan 0.000 0.504 281 V N 1.046 120.981 119.914 0.034 0.000 2.469 281 V HA -0.076 4.044 4.120 0.000 0.000 0.251 281 V C 2.557 178.656 176.094 0.008 0.000 1.064 281 V CA 2.997 65.313 62.300 0.027 0.000 1.066 281 V CB -0.666 31.178 31.823 0.036 0.000 0.667 281 V HN 0.820 nan 8.190 nan 0.000 0.461 282 G N -0.961 107.853 108.800 0.022 0.000 2.421 282 G HA2 -0.057 3.903 3.960 0.000 0.000 0.217 282 G HA3 -0.057 3.903 3.960 0.000 0.000 0.217 282 G C 1.517 176.381 174.900 -0.060 0.000 1.143 282 G CA 0.682 45.792 45.100 0.018 0.000 0.784 282 G HN 0.640 nan 8.290 nan 0.000 0.541 283 G N 1.042 109.793 108.800 -0.081 0.000 2.403 283 G HA2 0.114 4.074 3.960 0.000 0.000 0.216 283 G HA3 0.114 4.074 3.960 0.000 0.000 0.216 283 G C 2.008 176.634 174.900 -0.458 0.000 1.154 283 G CA 1.334 46.162 45.100 -0.454 0.000 0.784 283 G HN 0.555 nan 8.290 nan 0.000 0.538 284 A N 0.408 123.117 122.820 -0.186 0.000 1.933 284 A HA 0.099 4.419 4.320 0.000 0.000 0.218 284 A C 2.330 179.839 177.584 -0.126 0.000 1.175 284 A CA 1.298 53.263 52.037 -0.121 0.000 0.628 284 A CB -0.374 18.605 19.000 -0.036 0.000 0.814 284 A HN 0.382 nan 8.150 nan 0.000 0.444 285 L N -0.623 120.531 121.223 -0.115 0.000 1.988 285 L HA -0.152 4.188 4.340 0.000 0.000 0.207 285 L C 2.462 179.263 176.870 -0.116 0.000 1.071 285 L CA 1.716 56.507 54.840 -0.082 0.000 0.744 285 L CB -0.302 41.728 42.059 -0.048 0.000 0.893 285 L HN 0.415 nan 8.230 nan 0.000 0.433 286 I N -0.052 120.404 120.570 -0.191 0.000 2.163 286 I HA -0.372 3.798 4.170 0.000 0.000 0.243 286 I C 2.425 178.420 176.117 -0.203 0.000 1.085 286 I CA 1.576 62.760 61.300 -0.193 0.000 1.347 286 I CB -0.240 37.619 38.000 -0.236 0.000 1.044 286 I HN 0.244 nan 8.210 nan 0.000 0.408 287 I N 0.522 120.901 120.570 -0.319 0.000 2.208 287 I HA -0.268 3.902 4.170 0.000 0.000 0.245 287 I C 2.633 178.693 176.117 -0.095 0.000 1.097 287 I CA 1.707 62.891 61.300 -0.194 0.000 1.363 287 I CB -0.894 36.988 38.000 -0.197 0.000 1.051 287 I HN 0.325 nan 8.210 nan 0.000 0.413 288 G N 0.387 109.131 108.800 -0.093 0.000 2.480 288 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 288 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 288 G C 1.700 176.589 174.900 -0.018 0.000 1.200 288 G CA 0.987 46.056 45.100 -0.052 0.000 0.782 288 G HN 0.230 nan 8.290 nan 0.000 0.554 289 V N 0.478 120.381 119.914 -0.019 0.000 2.252 289 V HA -0.225 3.895 4.120 0.000 0.000 0.249 289 V C 3.093 179.194 176.094 0.012 0.000 1.056 289 V CA 1.825 64.130 62.300 0.007 0.000 1.022 289 V CB -0.650 31.169 31.823 -0.006 0.000 0.641 289 V HN 0.247 nan 8.190 nan 0.000 0.445 290 V N 0.138 120.048 119.914 -0.006 0.000 2.287 290 V HA -0.304 3.816 4.120 0.000 0.000 0.248 290 V C 2.699 178.799 176.094 0.010 0.000 1.053 290 V CA 2.169 64.467 62.300 -0.002 0.000 1.027 290 V CB -1.244 30.579 31.823 -0.000 0.000 0.646 290 V HN 0.589 nan 8.190 nan 0.000 0.447 291 A N 0.451 123.277 122.820 0.011 0.000 1.908 291 A HA -0.141 4.179 4.320 0.000 0.000 0.218 291 A C 2.427 180.053 177.584 0.070 0.000 1.181 291 A CA 2.122 54.174 52.037 0.025 0.000 0.627 291 A CB -1.280 17.717 19.000 -0.004 0.000 0.818 291 A HN 0.549 nan 8.150 nan 0.000 0.445 292 G N -0.322 108.534 108.800 0.093 0.000 2.418 292 G HA2 -0.136 3.824 3.960 0.000 0.000 0.217 292 G HA3 -0.136 3.824 3.960 0.000 0.000 0.217 292 G C 1.537 176.498 174.900 0.102 0.000 1.158 292 G CA 1.076 46.298 45.100 0.202 0.000 0.771 292 G HN 0.445 nan 8.290 nan 0.000 0.545 293 L N 0.596 121.834 121.223 0.024 0.000 2.156 293 L HA 0.100 4.440 4.340 0.000 0.000 0.208 293 L C 3.288 180.128 176.870 -0.051 0.000 1.095 293 L CA 0.806 55.614 54.840 -0.054 0.000 0.770 293 L CB -0.242 41.801 42.059 -0.027 0.000 0.914 293 L HN 0.276 nan 8.230 nan 0.000 0.439 294 A N 0.160 122.986 122.820 0.009 0.000 2.015 294 A HA -0.044 4.276 4.320 0.000 0.000 0.219 294 A C 2.353 180.028 177.584 0.151 0.000 1.163 294 A CA 1.495 53.588 52.037 0.093 0.000 0.646 294 A CB -0.923 18.118 19.000 0.068 0.000 0.806 294 A HN 0.419 nan 8.150 nan 0.000 0.448 295 G N -0.518 108.311 108.800 0.049 0.000 2.453 295 G HA2 0.047 4.007 3.960 0.000 0.000 0.215 295 G HA3 0.047 4.007 3.960 0.000 0.000 0.215 295 G C 1.410 176.108 174.900 -0.336 0.000 1.147 295 G CA 0.934 46.083 45.100 0.082 0.000 0.802 295 G HN 0.434 nan 8.290 nan 0.000 0.535 296 L N -0.187 120.524 121.223 -0.854 0.000 2.005 296 L HA 0.096 4.436 4.340 0.000 0.000 0.207 296 L C 2.409 179.039 176.870 -0.400 0.000 1.072 296 L CA 1.776 55.876 54.840 -1.233 0.000 0.744 296 L CB -0.885 40.499 42.059 -1.123 0.000 0.895 296 L HN 0.414 nan 8.230 nan 0.000 0.433 297 W N 0.581 121.688 121.300 -0.321 0.000 2.374 297 W HA -0.044 4.616 4.660 0.000 0.000 0.288 297 W C 2.139 178.608 176.519 -0.082 0.000 1.218 297 W CA 2.026 59.280 57.345 -0.152 0.000 1.245 297 W CB -0.677 28.724 29.460 -0.098 0.000 1.126 297 W HN 0.242 nan 8.180 nan 0.000 0.545 298 G N 0.588 109.366 108.800 -0.036 0.000 2.446 298 G HA2 -0.315 3.645 3.960 0.000 0.000 0.217 298 G HA3 -0.315 3.645 3.960 0.000 0.000 0.217 298 G C 1.352 176.166 174.900 -0.144 0.000 1.168 298 G CA 2.244 47.267 45.100 -0.129 0.000 0.771 298 G HN 0.591 nan 8.290 nan 0.000 0.551 299 V N -1.859 118.021 119.914 -0.056 0.000 3.608 299 V HA 0.224 4.344 4.120 0.000 0.000 0.269 299 V C 1.851 177.922 176.094 -0.038 0.000 1.245 299 V CA 1.649 63.960 62.300 0.020 0.000 1.138 299 V CB -0.070 31.870 31.823 0.195 0.000 0.841 299 V HN 0.230 nan 8.190 nan 0.000 0.451 300 T N 0.002 114.478 114.554 -0.130 0.000 3.608 300 T HA 0.246 4.596 4.350 0.000 0.000 0.213 300 T C 1.814 176.407 174.700 -0.179 0.000 0.897 300 T CA 0.884 62.914 62.100 -0.116 0.000 1.533 300 T CB -0.221 68.591 68.868 -0.094 0.000 1.504 300 T HN 0.176 nan 8.240 nan 0.000 0.446 301 M N 1.404 120.838 119.600 -0.276 0.000 2.086 301 M HA 0.036 4.516 4.480 0.000 0.000 0.261 301 M C 2.406 178.464 176.300 -0.403 0.000 1.067 301 M CA 1.297 56.420 55.300 -0.295 0.000 1.116 301 M CB -1.297 31.157 32.600 -0.244 0.000 1.348 301 M HN 0.164 nan 8.290 nan 0.000 0.407 302 L N 0.299 121.065 121.223 -0.762 0.000 2.046 302 L HA -0.232 4.108 4.340 0.000 0.000 0.208 302 L C 2.426 179.132 176.870 -0.273 0.000 1.077 302 L CA 1.760 56.223 54.840 -0.629 0.000 0.747 302 L CB -0.597 40.888 42.059 -0.958 0.000 0.896 302 L HN 0.360 nan 8.230 nan 0.000 0.432 303 K N -0.106 120.167 120.400 -0.212 0.000 2.057 303 K HA -0.257 4.063 4.320 0.000 0.000 0.207 303 K C 2.238 178.795 176.600 -0.071 0.000 1.049 303 K CA 1.500 57.726 56.287 -0.102 0.000 0.931 303 K CB -0.080 32.388 32.500 -0.053 0.000 0.714 303 K HN 0.193 nan 8.250 nan 0.000 0.440 304 R N 0.482 120.937 120.500 -0.075 0.000 2.148 304 R HA -0.014 4.326 4.340 0.000 0.000 0.223 304 R C 2.282 178.566 176.300 -0.027 0.000 1.088 304 R CA 0.659 56.740 56.100 -0.032 0.000 0.985 304 R CB -0.018 30.261 30.300 -0.034 0.000 0.880 304 R HN 0.266 nan 8.270 nan 0.000 0.451 305 L N 0.202 121.393 121.223 -0.054 0.000 2.095 305 L HA -0.042 4.298 4.340 0.000 0.000 0.204 305 L C 1.815 178.681 176.870 -0.007 0.000 1.080 305 L CA 0.956 55.782 54.840 -0.024 0.000 0.759 305 L CB -0.006 42.036 42.059 -0.029 0.000 0.914 305 L HN 0.257 nan 8.230 nan 0.000 0.439 306 L N -0.499 120.708 121.223 -0.028 0.000 2.275 306 L HA -0.081 4.259 4.340 0.000 0.000 0.215 306 L C 0.740 177.621 176.870 0.018 0.000 1.119 306 L CA 0.252 55.092 54.840 -0.000 0.000 0.790 306 L CB -0.210 41.806 42.059 -0.071 0.000 0.919 306 L HN 0.320 nan 8.230 nan 0.000 0.443 307 R N -0.628 119.862 120.500 -0.017 0.000 3.525 307 R HA -0.135 4.205 4.340 0.000 0.000 0.276 307 R C -0.721 175.507 176.300 -0.119 0.000 1.116 307 R CA 0.239 56.331 56.100 -0.014 0.000 0.745 307 R CB -2.690 27.629 30.300 0.031 0.000 1.185 307 R HN 0.166 nan 8.270 nan 0.000 0.454 308 V N 0.554 120.320 119.914 -0.246 0.000 2.547 308 V HA 0.231 4.351 4.120 0.000 0.000 0.299 308 V C 0.524 176.340 176.094 -0.463 0.000 1.040 308 V CA -0.687 61.331 62.300 -0.469 0.000 0.913 308 V CB 2.250 33.665 31.823 -0.681 0.000 0.992 308 V HN 0.020 nan 8.190 nan 0.000 0.449 309 D N 2.937 122.970 120.400 -0.612 0.000 2.518 309 D HA 0.179 4.819 4.640 0.000 0.000 0.230 309 D C -0.604 175.446 176.300 -0.416 0.000 1.138 309 D CA -0.271 53.306 54.000 -0.704 0.000 0.964 309 D CB 0.452 40.609 40.800 -1.072 0.000 1.011 309 D HN 0.598 nan 8.370 nan 0.000 0.517 310 D N 3.808 124.039 120.400 -0.283 0.000 2.493 310 D HA 0.265 4.905 4.640 0.000 0.000 0.235 310 D C -1.849 174.370 176.300 -0.136 0.000 1.117 310 D CA -2.309 51.565 54.000 -0.210 0.000 0.930 310 D CB 1.578 42.277 40.800 -0.169 0.000 1.010 310 D HN 0.097 nan 8.370 nan 0.000 0.514 311 P HA -0.122 nan 4.420 nan 0.000 0.215 311 P C 0.837 178.091 177.300 -0.078 0.000 1.157 311 P CA 0.990 64.023 63.100 -0.111 0.000 0.874 311 P CB 0.229 31.851 31.700 -0.131 0.000 0.790 312 C N -0.968 118.256 119.300 -0.127 0.000 2.559 312 C HA 0.153 4.613 4.460 0.000 0.000 0.300 312 C C 0.380 175.409 174.990 0.065 0.000 1.288 312 C CA -0.603 58.369 59.018 -0.077 0.000 1.699 312 C CB -2.216 25.337 27.740 -0.311 0.000 1.819 312 C HN 0.392 nan 8.230 nan 0.000 0.600 313 D N 0.573 121.005 120.400 0.053 0.000 2.704 313 D HA -0.138 4.502 4.640 0.000 0.000 0.232 313 D C 1.171 177.598 176.300 0.212 0.000 1.183 313 D CA 0.416 54.491 54.000 0.125 0.000 0.647 313 D CB -0.426 40.467 40.800 0.154 0.000 1.013 313 D HN 0.313 nan 8.370 nan 0.000 0.415 314 V N -0.387 119.641 119.914 0.191 0.000 2.261 314 V HA -0.260 3.860 4.120 0.000 0.000 0.246 314 V C 2.034 178.322 176.094 0.322 0.000 1.047 314 V CA 2.083 64.558 62.300 0.292 0.000 1.015 314 V CB -0.462 31.451 31.823 0.150 0.000 0.642 314 V HN 0.402 nan 8.190 nan 0.000 0.446 315 F N 1.789 121.815 119.950 0.126 0.000 2.084 315 F HA 0.007 4.534 4.527 -0.000 0.000 0.296 315 F C 2.299 178.178 175.800 0.132 0.000 1.111 315 F CA 1.639 59.714 58.000 0.126 0.000 1.224 315 F CB -0.932 38.100 39.000 0.054 0.000 0.991 315 F HN 0.162 nan 8.300 nan 0.000 0.471 316 G N -0.405 108.525 108.800 0.218 0.000 2.517 316 G HA2 -0.227 3.733 3.960 0.000 0.000 0.222 316 G HA3 -0.227 3.733 3.960 0.000 0.000 0.222 316 G C 1.442 176.379 174.900 0.062 0.000 1.109 316 G CA 1.551 46.722 45.100 0.117 0.000 0.746 316 G HN 0.389 nan 8.290 nan 0.000 0.576 317 V N -0.958 119.004 119.914 0.080 0.000 2.735 317 V HA 0.075 4.196 4.120 0.000 0.000 0.234 317 V C 2.228 178.252 176.094 -0.117 0.000 1.121 317 V CA 0.772 63.083 62.300 0.018 0.000 1.160 317 V CB -0.528 31.311 31.823 0.027 0.000 0.908 317 V HN 0.361 nan 8.190 nan 0.000 0.495 318 H N 0.464 119.545 119.070 0.018 0.000 2.423 318 H HA -0.013 4.543 4.556 0.000 0.000 0.297 318 H C 2.245 177.552 175.328 -0.035 0.000 1.075 318 H CA 1.529 57.597 56.048 0.034 0.000 1.342 318 H CB -0.085 29.782 29.762 0.175 0.000 1.395 318 H HN 0.494 nan 8.280 nan 0.000 0.530 319 G N 0.606 109.298 108.800 -0.179 0.000 2.425 319 G HA2 -0.134 3.826 3.960 0.000 0.000 0.213 319 G HA3 -0.134 3.826 3.960 0.000 0.000 0.213 319 G C 1.915 176.573 174.900 -0.404 0.000 1.201 319 G CA 0.758 45.546 45.100 -0.519 0.000 0.799 319 G HN 0.190 nan 8.290 nan 0.000 0.534 320 V N 0.911 120.551 119.914 -0.458 0.000 2.233 320 V HA -0.250 3.870 4.120 0.000 0.000 0.247 320 V C 3.089 179.176 176.094 -0.012 0.000 1.050 320 V CA 2.017 64.244 62.300 -0.121 0.000 1.010 320 V CB -0.849 30.987 31.823 0.021 0.000 0.637 320 V HN 0.507 nan 8.190 nan 0.000 0.444 321 C N 0.729 120.015 119.300 -0.024 0.000 2.419 321 C HA 0.000 4.460 4.460 0.000 0.000 0.281 321 C C 2.852 177.855 174.990 0.022 0.000 1.336 321 C CA 0.436 59.451 59.018 -0.005 0.000 1.770 321 C CB -1.797 25.912 27.740 -0.052 0.000 1.929 321 C HN 0.715 nan 8.230 nan 0.000 0.509 322 G N 0.941 109.765 108.800 0.040 0.000 2.414 322 G HA2 -0.141 3.819 3.960 0.000 0.000 0.215 322 G HA3 -0.141 3.819 3.960 0.000 0.000 0.215 322 G C 1.456 176.441 174.900 0.141 0.000 1.188 322 G CA 0.762 45.946 45.100 0.140 0.000 0.783 322 G HN 0.519 nan 8.290 nan 0.000 0.537 323 I N 0.287 120.920 120.570 0.106 0.000 2.179 323 I HA -0.158 4.012 4.170 0.000 0.000 0.242 323 I C 2.797 178.979 176.117 0.109 0.000 1.088 323 I CA 0.473 61.844 61.300 0.117 0.000 1.357 323 I CB -0.380 37.690 38.000 0.117 0.000 1.051 323 I HN 0.017 nan 8.210 nan 0.000 0.409 324 V N 1.200 121.167 119.914 0.089 0.000 2.287 324 V HA -0.263 3.857 4.120 0.000 0.000 0.248 324 V C 2.586 178.739 176.094 0.099 0.000 1.053 324 V CA 2.378 64.727 62.300 0.081 0.000 1.027 324 V CB -1.357 30.501 31.823 0.058 0.000 0.646 324 V HN 0.595 nan 8.190 nan 0.000 0.447 325 G N -1.542 107.322 108.800 0.106 0.000 2.421 325 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 325 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 325 G C 1.759 176.762 174.900 0.171 0.000 1.171 325 G CA 1.258 46.438 45.100 0.134 0.000 0.775 325 G HN 0.534 nan 8.290 nan 0.000 0.543 326 C N 0.252 119.658 119.300 0.176 0.000 2.429 326 C HA 0.033 4.493 4.460 0.000 0.000 0.277 326 C C 2.853 177.934 174.990 0.150 0.000 1.262 326 C CA 0.520 59.645 59.018 0.178 0.000 1.733 326 C CB -0.952 26.889 27.740 0.169 0.000 2.010 326 C HN 0.473 nan 8.230 nan 0.000 0.483 327 I N 0.300 120.950 120.570 0.133 0.000 2.163 327 I HA -0.230 3.940 4.170 0.000 0.000 0.240 327 I C 2.515 178.720 176.117 0.147 0.000 1.081 327 I CA 1.640 63.010 61.300 0.118 0.000 1.353 327 I CB -0.388 37.671 38.000 0.098 0.000 1.054 327 I HN 0.271 nan 8.210 nan 0.000 0.407 328 M N -0.188 119.516 119.600 0.174 0.000 2.446 328 M HA -0.155 4.325 4.480 0.000 0.000 0.263 328 M C 2.101 178.588 176.300 0.311 0.000 1.066 328 M CA 1.391 56.845 55.300 0.256 0.000 1.087 328 M CB -0.647 32.092 32.600 0.232 0.000 1.406 328 M HN 0.284 nan 8.290 nan 0.000 0.459 329 T N 0.184 114.881 114.554 0.238 0.000 2.777 329 T HA -0.066 4.284 4.350 0.000 0.000 0.266 329 T C 1.823 176.661 174.700 0.230 0.000 1.040 329 T CA 1.559 63.803 62.100 0.239 0.000 1.141 329 T CB -0.569 68.428 68.868 0.215 0.000 0.868 329 T HN 0.630 nan 8.240 nan 0.000 0.444 330 G N 0.447 109.365 108.800 0.197 0.000 2.535 330 G HA2 -0.058 3.902 3.960 0.000 0.000 0.218 330 G HA3 -0.058 3.902 3.960 0.000 0.000 0.218 330 G C 1.324 176.385 174.900 0.269 0.000 1.122 330 G CA 0.410 45.635 45.100 0.208 0.000 0.769 330 G HN 0.468 nan 8.290 nan 0.000 0.549 331 I N -1.258 119.439 120.570 0.213 0.000 2.726 331 I HA 0.197 4.367 4.170 0.000 0.000 0.243 331 I C 1.663 177.767 176.117 -0.021 0.000 1.082 331 I CA 0.133 61.479 61.300 0.077 0.000 1.447 331 I CB -0.032 37.945 38.000 -0.037 0.000 1.250 331 I HN 0.009 nan 8.210 nan 0.000 0.453 332 F N 1.168 121.172 119.950 0.090 0.000 2.771 332 F HA 0.031 4.558 4.527 0.000 0.000 0.299 332 F C 2.201 178.002 175.800 0.001 0.000 1.177 332 F CA 0.569 58.596 58.000 0.045 0.000 1.450 332 F CB -0.479 38.553 39.000 0.053 0.000 1.114 332 F HN 0.027 nan 8.300 nan 0.000 0.587 333 A N 0.212 123.086 122.820 0.090 0.000 2.072 333 A HA 0.387 4.707 4.320 0.000 0.000 0.216 333 A C 1.644 178.962 177.584 -0.444 0.000 1.156 333 A CA 0.460 52.456 52.037 -0.067 0.000 0.701 333 A CB -0.748 18.238 19.000 -0.023 0.000 0.816 333 A HN 0.159 nan 8.150 nan 0.000 0.458 334 A N -0.077 122.373 122.820 -0.616 0.000 2.555 334 A HA 0.330 4.650 4.320 0.000 0.000 0.233 334 A C 1.473 178.859 177.584 -0.331 0.000 1.060 334 A CA 0.510 52.114 52.037 -0.722 0.000 0.759 334 A CB 0.066 18.884 19.000 -0.303 0.000 0.995 334 A HN 0.384 nan 8.150 nan 0.000 0.506 335 S N 1.000 116.540 115.700 -0.267 0.000 2.368 335 S HA -0.153 4.317 4.470 0.000 0.000 0.225 335 S C 2.127 176.686 174.600 -0.068 0.000 1.030 335 S CA 1.683 59.810 58.200 -0.122 0.000 0.999 335 S CB -0.383 62.770 63.200 -0.079 0.000 0.844 335 S HN 1.200 nan 8.310 nan 0.000 0.459 336 S N 0.767 116.429 115.700 -0.062 0.000 2.595 336 S HA 0.146 4.616 4.470 0.000 0.000 0.235 336 S C 0.907 175.487 174.600 -0.032 0.000 0.974 336 S CA 0.437 58.617 58.200 -0.034 0.000 0.942 336 S CB -0.392 62.794 63.200 -0.023 0.000 0.766 336 S HN 0.428 nan 8.310 nan 0.000 0.536 337 L N 0.265 121.463 121.223 -0.041 0.000 3.267 337 L HA 0.454 4.794 4.340 0.000 0.000 0.289 337 L C 1.460 178.373 176.870 0.071 0.000 1.260 337 L CA 0.122 54.959 54.840 -0.006 0.000 1.034 337 L CB 0.330 42.326 42.059 -0.105 0.000 1.413 337 L HN 0.468 nan 8.230 nan 0.000 0.594 338 G N -0.217 108.605 108.800 0.037 0.000 2.176 338 G HA2 -0.244 3.716 3.960 0.000 0.000 0.253 338 G HA3 -0.244 3.716 3.960 0.000 0.000 0.253 338 G C 0.632 175.558 174.900 0.043 0.000 0.979 338 G CA -0.101 45.029 45.100 0.050 0.000 0.641 338 G HN 0.514 nan 8.290 nan 0.000 0.530 339 G N -1.088 107.727 108.800 0.026 0.000 2.621 339 G HA2 0.505 4.465 3.960 0.000 0.000 0.271 339 G HA3 0.505 4.465 3.960 0.000 0.000 0.271 339 G C 1.154 176.046 174.900 -0.013 0.000 1.236 339 G CA 0.502 45.612 45.100 0.017 0.000 0.958 339 G HN 0.941 nan 8.290 nan 0.000 0.512 340 V N 0.084 120.007 119.914 0.015 0.000 3.380 340 V HA 0.404 4.524 4.120 0.000 0.000 0.268 340 V C 1.339 177.428 176.094 -0.008 0.000 1.168 340 V CA 1.914 64.228 62.300 0.025 0.000 1.156 340 V CB -1.196 30.669 31.823 0.071 0.000 0.785 340 V HN 1.931 nan 8.190 nan 0.000 0.487 341 G N -0.663 108.066 108.800 -0.117 0.000 2.699 341 G HA2 -0.157 3.803 3.960 0.000 0.000 0.686 341 G HA3 -0.157 3.803 3.960 0.000 0.000 0.686 341 G C -0.641 174.158 174.900 -0.170 0.000 1.301 341 G CA -0.354 44.609 45.100 -0.228 0.000 0.816 341 G HN 0.235 nan 8.290 nan 0.000 0.595 342 F N 0.856 120.843 119.950 0.062 0.000 2.368 342 F HA 0.710 5.237 4.527 -0.000 0.000 0.308 342 F C 1.381 177.219 175.800 0.063 0.000 1.198 342 F CA 0.188 58.219 58.000 0.053 0.000 1.130 342 F CB 0.385 39.407 39.000 0.038 0.000 1.300 342 F HN 0.932 nan 8.300 nan 0.000 0.537 343 A N -0.223 122.768 122.820 0.286 0.000 2.366 343 A HA 0.233 4.553 4.320 0.000 0.000 0.249 343 A C -0.172 177.492 177.584 0.133 0.000 1.084 343 A CA -0.655 51.486 52.037 0.174 0.000 0.794 343 A CB -0.351 18.735 19.000 0.143 0.000 1.034 343 A HN 0.763 nan 8.150 nan 0.000 0.491 344 E N 0.385 120.639 120.200 0.089 0.000 2.752 344 E HA 0.275 4.625 4.350 0.000 0.000 0.241 344 E C 0.956 177.574 176.600 0.029 0.000 1.016 344 E CA 1.257 57.692 56.400 0.058 0.000 0.952 344 E CB -0.227 29.497 29.700 0.041 0.000 0.921 344 E HN 1.354 nan 8.360 nan 0.000 0.515 345 G N 2.218 111.033 108.800 0.026 0.000 2.289 345 G HA2 -0.236 3.724 3.960 0.000 0.000 0.280 345 G HA3 -0.236 3.724 3.960 0.000 0.000 0.280 345 G C -0.222 174.636 174.900 -0.069 0.000 1.089 345 G CA -0.092 44.997 45.100 -0.018 0.000 0.939 345 G HN 0.417 nan 8.290 nan 0.000 0.499 346 V N 1.065 120.962 119.914 -0.029 0.000 2.525 346 V HA 0.730 4.850 4.120 0.000 0.000 0.299 346 V C 0.814 176.831 176.094 -0.129 0.000 1.034 346 V CA -0.049 62.185 62.300 -0.110 0.000 0.863 346 V CB 1.836 33.630 31.823 -0.048 0.000 0.999 346 V HN 0.875 nan 8.190 nan 0.000 0.423 347 T N 2.089 116.542 114.554 -0.168 0.000 2.847 347 T HA 0.351 4.701 4.350 0.000 0.000 0.279 347 T C 1.215 175.677 174.700 -0.396 0.000 0.984 347 T CA -0.298 61.713 62.100 -0.147 0.000 0.988 347 T CB 1.160 69.993 68.868 -0.057 0.000 1.040 347 T HN 0.547 nan 8.240 nan 0.000 0.528 348 M N 0.731 120.176 119.600 -0.259 0.000 2.132 348 M HA 0.080 4.560 4.480 0.000 0.000 0.263 348 M C 2.278 178.472 176.300 -0.176 0.000 1.065 348 M CA 2.124 57.254 55.300 -0.284 0.000 1.122 348 M CB -1.036 31.606 32.600 0.069 0.000 1.365 348 M HN 0.951 nan 8.290 nan 0.000 0.411 349 G N -0.835 107.916 108.800 -0.080 0.000 2.440 349 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 349 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 349 G C 1.471 176.344 174.900 -0.045 0.000 1.154 349 G CA 1.120 46.195 45.100 -0.041 0.000 0.767 349 G HN 0.604 nan 8.290 nan 0.000 0.552 350 H N 0.019 119.003 119.070 -0.143 0.000 2.389 350 H HA -0.045 4.511 4.556 0.000 0.000 0.299 350 H C 2.588 177.826 175.328 -0.150 0.000 1.081 350 H CA 1.852 57.824 56.048 -0.128 0.000 1.345 350 H CB 0.117 29.804 29.762 -0.126 0.000 1.393 350 H HN 0.394 nan 8.280 nan 0.000 0.520 351 Q N 0.813 120.491 119.800 -0.203 0.000 2.119 351 Q HA -0.032 4.308 4.340 0.000 0.000 0.201 351 Q C 2.639 178.552 176.000 -0.146 0.000 0.972 351 Q CA 1.005 56.670 55.803 -0.230 0.000 0.847 351 Q CB -0.285 28.183 28.738 -0.451 0.000 0.903 351 Q HN 0.494 nan 8.270 nan 0.000 0.433 352 L N -0.308 120.844 121.223 -0.118 0.000 2.083 352 L HA -0.148 4.192 4.340 0.000 0.000 0.209 352 L C 2.309 179.144 176.870 -0.060 0.000 1.083 352 L CA 0.840 55.650 54.840 -0.051 0.000 0.752 352 L CB -0.388 41.654 42.059 -0.029 0.000 0.899 352 L HN 0.310 nan 8.230 nan 0.000 0.433 353 L N -0.831 120.327 121.223 -0.109 0.000 2.056 353 L HA -0.188 4.152 4.340 0.000 0.000 0.207 353 L C 2.425 179.228 176.870 -0.112 0.000 1.078 353 L CA 0.938 55.712 54.840 -0.110 0.000 0.749 353 L CB -0.001 41.965 42.059 -0.154 0.000 0.901 353 L HN -0.035 nan 8.230 nan 0.000 0.433 354 V N -0.385 119.434 119.914 -0.159 0.000 2.343 354 V HA -0.270 3.850 4.120 0.000 0.000 0.247 354 V C 2.574 178.647 176.094 -0.035 0.000 1.051 354 V CA 1.519 63.756 62.300 -0.104 0.000 1.036 354 V CB -0.574 31.186 31.823 -0.106 0.000 0.654 354 V HN 0.514 nan 8.190 nan 0.000 0.451 355 Q N -0.709 119.081 119.800 -0.017 0.000 2.084 355 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 355 Q C 2.229 178.251 176.000 0.036 0.000 0.978 355 Q CA 1.346 57.167 55.803 0.029 0.000 0.844 355 Q CB -0.599 28.169 28.738 0.050 0.000 0.898 355 Q HN 0.409 nan 8.270 nan 0.000 0.426 356 L N 1.200 122.436 121.223 0.021 0.000 2.141 356 L HA -0.134 4.206 4.340 0.000 0.000 0.209 356 L C 2.259 179.144 176.870 0.026 0.000 1.094 356 L CA 1.581 56.439 54.840 0.031 0.000 0.763 356 L CB -0.847 41.223 42.059 0.018 0.000 0.908 356 L HN 0.330 nan 8.230 nan 0.000 0.437 357 E N -1.180 119.020 120.200 0.000 0.000 2.106 357 E HA -0.155 4.195 4.350 0.000 0.000 0.192 357 E C 2.089 178.688 176.600 -0.001 0.000 0.984 357 E CA 1.185 57.577 56.400 -0.013 0.000 0.806 357 E CB 0.209 29.880 29.700 -0.048 0.000 0.750 357 E HN 0.403 nan 8.360 nan 0.000 0.458 358 S N 0.407 116.112 115.700 0.009 0.000 2.387 358 S HA -0.071 4.399 4.470 0.000 0.000 0.226 358 S C 1.911 176.544 174.600 0.055 0.000 1.026 358 S CA 0.781 58.993 58.200 0.020 0.000 0.972 358 S CB -0.109 63.109 63.200 0.031 0.000 0.814 358 S HN 0.275 nan 8.310 nan 0.000 0.477 359 I N 1.714 122.328 120.570 0.074 0.000 2.252 359 I HA -0.157 4.013 4.170 0.000 0.000 0.245 359 I C 2.705 178.891 176.117 0.115 0.000 1.102 359 I CA 1.030 62.395 61.300 0.107 0.000 1.385 359 I CB -0.496 37.572 38.000 0.114 0.000 1.064 359 I HN 0.246 nan 8.210 nan 0.000 0.414 360 A N 1.144 124.018 122.820 0.090 0.000 1.877 360 A HA -0.182 4.138 4.320 0.000 0.000 0.216 360 A C 2.310 179.957 177.584 0.105 0.000 1.186 360 A CA 1.631 53.723 52.037 0.092 0.000 0.620 360 A CB -0.894 18.143 19.000 0.062 0.000 0.822 360 A HN 0.381 nan 8.150 nan 0.000 0.443 361 I N -0.486 120.132 120.570 0.080 0.000 2.315 361 I HA -0.200 3.970 4.170 0.000 0.000 0.248 361 I C 2.489 178.699 176.117 0.154 0.000 1.117 361 I CA 1.636 62.989 61.300 0.088 0.000 1.404 361 I CB -0.439 37.571 38.000 0.015 0.000 1.071 361 I HN 0.272 nan 8.210 nan 0.000 0.419 362 T N 0.945 115.584 114.554 0.142 0.000 2.770 362 T HA -0.042 4.308 4.350 0.000 0.000 0.263 362 T C 1.956 176.805 174.700 0.248 0.000 1.039 362 T CA 1.150 63.362 62.100 0.186 0.000 1.142 362 T CB -0.169 68.786 68.868 0.144 0.000 0.868 362 T HN 0.215 nan 8.240 nan 0.000 0.435 363 I N 0.644 121.350 120.570 0.226 0.000 2.226 363 I HA -0.145 4.025 4.170 0.000 0.000 0.245 363 I C 2.492 178.749 176.117 0.233 0.000 1.100 363 I CA 0.902 62.348 61.300 0.243 0.000 1.374 363 I CB -0.323 37.811 38.000 0.223 0.000 1.057 363 I HN 0.086 nan 8.210 nan 0.000 0.413 364 V N 0.301 120.348 119.914 0.220 0.000 2.307 364 V HA -0.291 3.829 4.120 0.000 0.000 0.245 364 V C 2.063 178.332 176.094 0.292 0.000 1.045 364 V CA 1.827 64.258 62.300 0.219 0.000 1.024 364 V CB -0.375 31.561 31.823 0.188 0.000 0.651 364 V HN 0.594 nan 8.190 nan 0.000 0.449 365 W N -0.165 121.203 121.300 0.114 0.000 2.379 365 W HA -0.199 4.462 4.660 0.000 0.000 0.307 365 W C 2.817 179.427 176.519 0.152 0.000 1.200 365 W CA 1.659 59.072 57.345 0.114 0.000 1.297 365 W CB -0.237 29.278 29.460 0.091 0.000 1.140 365 W HN 0.335 nan 8.180 nan 0.000 0.507 366 S N 0.442 116.281 115.700 0.232 0.000 2.370 366 S HA -0.132 4.338 4.470 0.000 0.000 0.226 366 S C 1.980 176.756 174.600 0.293 0.000 1.033 366 S CA 2.056 60.424 58.200 0.279 0.000 1.011 366 S CB -0.961 62.518 63.200 0.466 0.000 0.852 366 S HN 0.355 nan 8.310 nan 0.000 0.457 367 G N 0.720 109.663 108.800 0.239 0.000 2.446 367 G HA2 -0.154 3.806 3.960 0.000 0.000 0.217 367 G HA3 -0.154 3.806 3.960 0.000 0.000 0.217 367 G C 1.488 176.495 174.900 0.179 0.000 1.168 367 G CA 1.202 46.429 45.100 0.213 0.000 0.771 367 G HN 0.485 nan 8.290 nan 0.000 0.551 368 V N 0.362 120.326 119.914 0.084 0.000 2.358 368 V HA -0.135 3.985 4.120 0.000 0.000 0.246 368 V C 3.010 179.120 176.094 0.026 0.000 1.047 368 V CA 1.335 63.670 62.300 0.060 0.000 1.035 368 V CB -0.297 31.524 31.823 -0.004 0.000 0.658 368 V HN 0.237 nan 8.190 nan 0.000 0.452 369 V N 0.442 120.247 119.914 -0.182 0.000 2.295 369 V HA -0.247 3.873 4.120 0.000 0.000 0.246 369 V C 2.755 178.917 176.094 0.115 0.000 1.049 369 V CA 1.994 64.165 62.300 -0.214 0.000 1.024 369 V CB -1.130 30.368 31.823 -0.543 0.000 0.648 369 V HN 0.551 nan 8.190 nan 0.000 0.447 370 A N -0.369 122.666 122.820 0.358 0.000 1.940 370 A HA -0.277 4.043 4.320 0.000 0.000 0.219 370 A C 2.112 179.997 177.584 0.501 0.000 1.176 370 A CA 2.191 54.570 52.037 0.569 0.000 0.631 370 A CB -0.744 18.606 19.000 0.584 0.000 0.814 370 A HN 0.533 nan 8.150 nan 0.000 0.446 371 F N 0.796 120.900 119.950 0.256 0.000 2.069 371 F HA -0.174 4.353 4.527 0.000 0.000 0.298 371 F C 1.979 177.875 175.800 0.161 0.000 1.113 371 F CA 1.635 59.761 58.000 0.210 0.000 1.214 371 F CB -0.456 38.609 39.000 0.108 0.000 0.978 371 F HN 0.197 nan 8.300 nan 0.000 0.474 372 I N 0.233 120.767 120.570 -0.060 0.000 2.208 372 I HA -0.285 3.885 4.170 0.000 0.000 0.245 372 I C 2.744 178.786 176.117 -0.125 0.000 1.097 372 I CA 1.472 62.660 61.300 -0.188 0.000 1.363 372 I CB -1.416 36.531 38.000 -0.088 0.000 1.051 372 I HN 0.328 nan 8.210 nan 0.000 0.413 373 G N 0.182 108.975 108.800 -0.011 0.000 2.453 373 G HA2 -0.269 3.691 3.960 0.000 0.000 0.215 373 G HA3 -0.269 3.691 3.960 0.000 0.000 0.215 373 G C 1.437 176.405 174.900 0.113 0.000 1.201 373 G CA 0.704 45.830 45.100 0.043 0.000 0.784 373 G HN 0.272 nan 8.290 nan 0.000 0.545 374 Y N 0.988 121.417 120.300 0.215 0.000 2.274 374 Y HA -0.004 4.546 4.550 -0.000 0.000 0.290 374 Y C 2.788 178.641 175.900 -0.078 0.000 1.145 374 Y CA 1.181 59.285 58.100 0.007 0.000 1.203 374 Y CB 0.005 38.408 38.460 -0.094 0.000 0.984 374 Y HN 0.011 nan 8.280 nan 0.000 0.533 375 K N 0.205 120.567 120.400 -0.064 0.000 2.103 375 K HA -0.073 4.247 4.320 0.000 0.000 0.204 375 K C 2.202 178.745 176.600 -0.095 0.000 1.052 375 K CA 0.682 56.864 56.287 -0.175 0.000 0.945 375 K CB -0.873 31.354 32.500 -0.455 0.000 0.722 375 K HN 0.367 nan 8.250 nan 0.000 0.443 376 L N 0.522 121.699 121.223 -0.076 0.000 2.083 376 L HA -0.150 4.190 4.340 0.000 0.000 0.209 376 L C 2.113 178.976 176.870 -0.013 0.000 1.083 376 L CA 1.313 56.125 54.840 -0.047 0.000 0.752 376 L CB -0.247 41.785 42.059 -0.045 0.000 0.899 376 L HN 0.099 nan 8.230 nan 0.000 0.433 377 A N -0.926 121.905 122.820 0.019 0.000 1.929 377 A HA -0.256 4.064 4.320 0.000 0.000 0.216 377 A C 1.907 179.506 177.584 0.025 0.000 1.176 377 A CA 1.851 53.911 52.037 0.038 0.000 0.628 377 A CB -0.563 18.488 19.000 0.085 0.000 0.816 377 A HN 0.492 nan 8.150 nan 0.000 0.444 378 D N -0.553 119.858 120.400 0.019 0.000 2.234 378 D HA -0.001 4.639 4.640 0.000 0.000 0.205 378 D C 1.757 178.055 176.300 -0.003 0.000 0.962 378 D CA 0.630 54.635 54.000 0.007 0.000 0.855 378 D CB -0.084 40.718 40.800 0.003 0.000 0.951 378 D HN 0.417 nan 8.370 nan 0.000 0.500 379 L N -0.275 120.941 121.223 -0.012 0.000 2.179 379 L HA -0.017 4.323 4.340 0.000 0.000 0.208 379 L C 2.397 179.263 176.870 -0.007 0.000 1.096 379 L CA 1.424 56.256 54.840 -0.014 0.000 0.779 379 L CB -0.423 41.621 42.059 -0.024 0.000 0.922 379 L HN 0.203 nan 8.230 nan 0.000 0.443 380 T N -3.352 111.200 114.554 -0.004 0.000 2.990 380 T HA -0.028 4.322 4.350 0.000 0.000 0.237 380 T C 1.522 176.225 174.700 0.005 0.000 1.009 380 T CA 0.966 63.066 62.100 0.000 0.000 1.195 380 T CB -0.464 68.403 68.868 -0.001 0.000 0.885 380 T HN 0.127 nan 8.240 nan 0.000 0.424 381 V N -1.491 118.428 119.914 0.010 0.000 3.431 381 V HA 0.647 4.767 4.120 0.000 0.000 0.253 381 V C 1.151 177.253 176.094 0.012 0.000 1.184 381 V CA 0.225 62.533 62.300 0.013 0.000 1.104 381 V CB -0.876 30.958 31.823 0.020 0.000 0.799 381 V HN 1.134 nan 8.190 nan 0.000 0.462 382 G N 0.272 109.079 108.800 0.011 0.000 3.039 382 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 382 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 382 G C -0.311 174.596 174.900 0.011 0.000 1.066 382 G CA -0.092 45.012 45.100 0.008 0.000 0.774 382 G HN 0.356 nan 8.290 nan 0.000 0.591 383 L N 1.056 122.282 121.223 0.005 0.000 2.095 383 L HA 0.189 4.529 4.340 0.000 0.000 0.204 383 L C 2.047 178.908 176.870 -0.016 0.000 1.080 383 L CA 1.078 55.918 54.840 -0.000 0.000 0.759 383 L CB -0.060 41.986 42.059 -0.021 0.000 0.914 383 L HN 0.600 nan 8.230 nan 0.000 0.439 384 R N 0.489 120.976 120.500 -0.022 0.000 2.428 384 R HA 0.383 4.723 4.340 0.000 0.000 0.294 384 R C -0.715 175.578 176.300 -0.011 0.000 1.000 384 R CA -0.548 55.536 56.100 -0.025 0.000 0.960 384 R CB 1.480 31.758 30.300 -0.037 0.000 1.076 384 R HN -0.046 nan 8.270 nan 0.000 0.475 385 V N 2.157 122.066 119.914 -0.008 0.000 2.775 385 V HA 0.456 4.576 4.120 0.000 0.000 0.299 385 V C -2.110 173.981 176.094 -0.005 0.000 1.062 385 V CA -1.766 60.531 62.300 -0.004 0.000 1.063 385 V CB 0.637 32.459 31.823 -0.003 0.000 0.994 385 V HN 0.737 nan 8.190 nan 0.000 0.483 386 P HA 0.073 nan 4.420 nan 0.000 0.269 386 P C 0.790 178.091 177.300 0.001 0.000 1.215 386 P CA 0.035 63.134 63.100 -0.002 0.000 0.780 386 P CB 0.697 32.395 31.700 -0.002 0.000 0.898 387 E N 1.760 121.962 120.200 0.004 0.000 2.136 387 E HA -0.290 4.060 4.350 0.000 0.000 0.208 387 E C 1.418 178.025 176.600 0.011 0.000 1.035 387 E CA 1.757 58.163 56.400 0.010 0.000 0.838 387 E CB 0.099 29.806 29.700 0.012 0.000 0.748 387 E HN 0.476 nan 8.360 nan 0.000 0.459 388 E N 0.258 120.462 120.200 0.006 0.000 2.204 388 E HA -0.216 4.134 4.350 0.000 0.000 0.194 388 E C 1.967 178.568 176.600 0.002 0.000 0.989 388 E CA 0.952 57.355 56.400 0.004 0.000 0.824 388 E CB -0.424 29.277 29.700 0.001 0.000 0.756 388 E HN 0.493 nan 8.360 nan 0.000 0.477 389 Q N 0.597 120.397 119.800 0.001 0.000 2.123 389 Q HA -0.081 4.259 4.340 0.000 0.000 0.199 389 Q C 2.118 178.121 176.000 0.004 0.000 0.966 389 Q CA 0.955 56.757 55.803 -0.003 0.000 0.845 389 Q CB 0.001 28.735 28.738 -0.008 0.000 0.907 389 Q HN 0.379 nan 8.270 nan 0.000 0.439 390 E N 0.227 120.434 120.200 0.012 0.000 2.153 390 E HA -0.184 4.166 4.350 0.000 0.000 0.194 390 E C 1.923 178.543 176.600 0.032 0.000 0.988 390 E CA 0.617 57.032 56.400 0.025 0.000 0.811 390 E CB 0.319 30.037 29.700 0.030 0.000 0.746 390 E HN 0.110 nan 8.360 nan 0.000 0.466 391 R N 0.409 120.922 120.500 0.022 0.000 2.062 391 R HA -0.042 4.298 4.340 0.000 0.000 0.226 391 R C 2.121 178.426 176.300 0.008 0.000 1.125 391 R CA 1.091 57.202 56.100 0.017 0.000 0.966 391 R CB -0.516 29.790 30.300 0.010 0.000 0.861 391 R HN 0.291 nan 8.270 nan 0.000 0.433 392 E N -0.138 120.064 120.200 0.003 0.000 2.077 392 E HA 0.008 4.358 4.350 0.000 0.000 0.193 392 E C 0.376 176.975 176.600 -0.001 0.000 0.989 392 E CA 0.879 57.278 56.400 -0.002 0.000 0.800 392 E CB 0.062 29.759 29.700 -0.005 0.000 0.746 392 E HN 0.434 nan 8.360 nan 0.000 0.452 393 G N -0.729 108.073 108.800 0.003 0.000 2.528 393 G HA2 -0.134 3.827 3.960 0.000 0.000 0.681 393 G HA3 -0.134 3.827 3.960 0.000 0.000 0.681 393 G C 0.010 174.912 174.900 0.004 0.000 1.340 393 G CA -0.723 44.381 45.100 0.006 0.000 0.855 393 G HN 0.060 nan 8.290 nan 0.000 0.649 394 L N 0.475 121.709 121.223 0.018 0.000 2.217 394 L HA 0.009 4.349 4.340 0.000 0.000 0.211 394 L C 2.426 179.319 176.870 0.039 0.000 1.107 394 L CA 1.280 56.133 54.840 0.021 0.000 0.783 394 L CB -0.363 41.733 42.059 0.062 0.000 0.919 394 L HN 0.594 nan 8.230 nan 0.000 0.442 395 D N 0.298 120.728 120.400 0.050 0.000 2.092 395 D HA -0.181 4.459 4.640 0.000 0.000 0.193 395 D C 2.197 178.513 176.300 0.026 0.000 0.994 395 D CA 1.914 55.948 54.000 0.056 0.000 0.828 395 D CB -0.195 40.599 40.800 -0.010 0.000 0.963 395 D HN 0.334 nan 8.370 nan 0.000 0.450 396 V N -1.622 118.288 119.914 -0.007 0.000 2.725 396 V HA 0.074 4.194 4.120 0.000 0.000 0.247 396 V C 1.730 177.801 176.094 -0.038 0.000 1.058 396 V CA 0.929 63.217 62.300 -0.020 0.000 1.080 396 V CB -0.221 31.591 31.823 -0.018 0.000 0.713 396 V HN 0.008 nan 8.190 nan 0.000 0.465 397 N N 1.201 119.873 118.700 -0.046 0.000 2.135 397 N HA -0.043 4.697 4.740 0.000 0.000 0.186 397 N C 1.963 177.403 175.510 -0.117 0.000 1.027 397 N CA 1.922 54.935 53.050 -0.062 0.000 0.849 397 N CB 0.043 38.503 38.487 -0.044 0.000 1.002 397 N HN 0.531 nan 8.380 nan 0.000 0.425 398 S N -0.780 114.800 115.700 -0.201 0.000 2.492 398 S HA 0.098 4.568 4.470 0.000 0.000 0.218 398 S C 0.798 174.965 174.600 -0.722 0.000 1.016 398 S CA 0.206 58.146 58.200 -0.433 0.000 0.916 398 S CB 0.325 63.206 63.200 -0.531 0.000 0.791 398 S HN 0.400 nan 8.310 nan 0.000 0.513 399 H N -0.357 118.635 119.070 -0.130 0.000 3.233 399 H HA 0.290 4.846 4.556 -0.000 0.000 0.263 399 H C 1.312 176.572 175.328 -0.113 0.000 1.168 399 H CA 0.362 56.309 56.048 -0.168 0.000 1.159 399 H CB 0.172 29.813 29.762 -0.202 0.000 1.593 399 H HN 0.387 nan 8.280 nan 0.000 0.580 400 G N 2.111 110.900 108.800 -0.019 0.000 2.395 400 G HA2 -0.288 3.672 3.960 0.000 0.000 0.300 400 G HA3 -0.288 3.672 3.960 0.000 0.000 0.300 400 G C -0.189 174.704 174.900 -0.012 0.000 0.998 400 G CA 0.850 45.938 45.100 -0.019 0.000 1.046 400 G HN 0.501 nan 8.290 nan 0.000 0.513 401 E N -0.668 119.527 120.200 -0.009 0.000 2.390 401 E HA 0.348 4.698 4.350 0.000 0.000 0.277 401 E C -0.903 175.671 176.600 -0.042 0.000 0.939 401 E CA -0.998 55.385 56.400 -0.029 0.000 0.769 401 E CB 1.506 31.181 29.700 -0.042 0.000 1.251 401 E HN 0.137 nan 8.360 nan 0.000 0.450 402 N N 0.978 119.645 118.700 -0.055 0.000 2.399 402 N HA 0.261 5.001 4.740 0.000 0.000 0.280 402 N C 0.158 175.596 175.510 -0.121 0.000 1.008 402 N CA 0.102 53.113 53.050 -0.066 0.000 0.894 402 N CB 1.790 40.259 38.487 -0.030 0.000 1.273 402 N HN 0.598 nan 8.380 nan 0.000 0.486 403 A N 3.808 126.497 122.820 -0.219 0.000 1.892 403 A HA -0.134 4.186 4.320 0.000 0.000 0.218 403 A C -0.144 177.107 177.584 -0.555 0.000 1.188 403 A CA 1.438 53.193 52.037 -0.469 0.000 0.631 403 A CB -0.354 18.201 19.000 -0.741 0.000 0.822 403 A HN 0.705 nan 8.150 nan 0.000 0.447 404 Y N -0.081 120.215 120.300 -0.006 0.000 2.331 404 Y HA 0.506 5.055 4.550 -0.000 0.000 0.334 404 Y C 0.051 175.951 175.900 -0.001 0.000 0.960 404 Y CA -1.391 56.711 58.100 0.004 0.000 1.130 404 Y CB 1.201 39.669 38.460 0.014 0.000 1.164 404 Y HN 0.214 nan 8.280 nan 0.000 0.458 405 N N 0.605 119.385 118.700 0.133 0.000 3.091 405 N HA 0.704 5.444 4.740 0.000 0.000 0.329 405 N C -0.333 175.216 175.510 0.066 0.000 1.430 405 N CA -0.913 52.182 53.050 0.075 0.000 0.755 405 N CB 0.981 39.490 38.487 0.036 0.000 1.626 405 N HN 0.629 nan 8.380 nan 0.000 0.614 406 A N 0.000 122.844 122.820 0.041 0.000 2.254 406 A HA 0.000 4.320 4.320 0.000 0.000 0.244 406 A CA 0.000 52.056 52.037 0.031 0.000 0.836 406 A CB 0.000 19.012 19.000 0.020 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486