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 1iz1_1_P DATA FIRST_RESID 1 DATA SEQUENCE MEFRQLKYFI AVAEAGNMAA AAKRLHVSQP PITRQMQALE ADLGVVLLER DATA SEQUENCE SHRGIELTAA GHAFLEDARR ILELAGRSGD RSRAAARGDV GELSVAYFGT DATA SEQUENCE PIYRSLPLLL RAFLTSTPTA TVSLTHMTKD EQVEGLLAGT IHVGFSRFFP DATA SEQUENCE RHPGIEIVNI AQEDLYLAVH RSQSGKFGKT CKLADLRAVE LTLFPRGGRP DATA SEQUENCE SFADEVIGLF KHAGIEPRIA RVVEDATAAL ALTMAGAASS IVPASVAAIR DATA SEQUENCE WPDIAFARIV GTRVKVPISC IFRKEKQPPI LARFVEHVRR SA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.255 176.300 -0.074 0.000 1.140 1 M CA 0.000 55.254 55.300 -0.077 0.000 0.988 1 M CB 0.000 32.558 32.600 -0.070 0.000 1.302 2 E N 0.273 120.416 120.200 -0.095 0.000 2.401 2 E HA 0.338 4.688 4.350 0.001 0.000 0.280 2 E C -0.948 175.586 176.600 -0.111 0.000 1.039 2 E CA -0.499 55.855 56.400 -0.076 0.000 0.814 2 E CB 1.633 31.322 29.700 -0.019 0.000 1.275 2 E HN 0.587 nan 8.360 nan 0.000 0.448 3 F N 0.699 120.644 119.950 -0.008 0.000 2.234 3 F HA 0.020 4.548 4.527 0.001 0.000 0.299 3 F C 2.397 178.177 175.800 -0.033 0.000 1.087 3 F CA 0.973 58.970 58.000 -0.004 0.000 1.340 3 F CB 0.117 39.114 39.000 -0.005 0.000 1.031 3 F HN 0.368 nan 8.300 nan 0.000 0.500 4 R N 0.384 120.913 120.500 0.048 0.000 2.092 4 R HA -0.168 4.172 4.340 0.001 0.000 0.231 4 R C 2.139 178.298 176.300 -0.236 0.000 1.119 4 R CA 1.501 57.492 56.100 -0.182 0.000 0.970 4 R CB -0.142 29.957 30.300 -0.333 0.000 0.864 4 R HN 0.374 nan 8.270 nan 0.000 0.440 5 Q N 0.171 119.912 119.800 -0.099 0.000 2.050 5 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 5 Q C 2.240 178.345 176.000 0.175 0.000 0.980 5 Q CA 1.408 57.225 55.803 0.024 0.000 0.840 5 Q CB -0.159 28.587 28.738 0.014 0.000 0.898 5 Q HN 0.379 nan 8.270 nan 0.000 0.424 6 L N 0.739 122.043 121.223 0.134 0.000 2.083 6 L HA -0.184 4.157 4.340 0.001 0.000 0.209 6 L C 2.294 179.292 176.870 0.214 0.000 1.083 6 L CA 1.296 56.243 54.840 0.179 0.000 0.752 6 L CB -0.480 41.600 42.059 0.035 0.000 0.899 6 L HN 0.214 nan 8.230 nan 0.000 0.433 7 K N -0.795 119.732 120.400 0.211 0.000 2.057 7 K HA -0.151 4.169 4.320 0.001 0.000 0.206 7 K C 2.141 178.947 176.600 0.343 0.000 1.050 7 K CA 1.209 57.644 56.287 0.247 0.000 0.935 7 K CB -0.187 32.470 32.500 0.262 0.000 0.715 7 K HN 0.115 nan 8.250 nan 0.000 0.439 8 Y N -0.176 120.198 120.300 0.123 0.000 2.293 8 Y HA -0.154 4.397 4.550 0.001 0.000 0.291 8 Y C 2.066 178.057 175.900 0.153 0.000 1.137 8 Y CA 0.262 58.431 58.100 0.115 0.000 1.202 8 Y CB -0.543 37.984 38.460 0.113 0.000 0.990 8 Y HN 0.033 nan 8.280 nan 0.000 0.537 9 F N 0.086 120.160 119.950 0.207 0.000 2.128 9 F HA -0.115 4.412 4.527 0.000 0.000 0.295 9 F C 2.056 177.908 175.800 0.087 0.000 1.100 9 F CA 1.067 59.150 58.000 0.138 0.000 1.260 9 F CB -0.760 38.342 39.000 0.169 0.000 1.009 9 F HN -0.079 nan 8.300 nan 0.000 0.476 10 I N 0.343 120.873 120.570 -0.067 0.000 2.286 10 I HA -0.305 3.865 4.170 0.001 0.000 0.248 10 I C 2.644 178.681 176.117 -0.133 0.000 1.115 10 I CA 1.088 62.278 61.300 -0.184 0.000 1.392 10 I CB -0.881 37.096 38.000 -0.038 0.000 1.065 10 I HN 0.265 nan 8.210 nan 0.000 0.418 11 A N 0.510 123.305 122.820 -0.042 0.000 1.845 11 A HA -0.167 4.153 4.320 0.001 0.000 0.215 11 A C 2.377 179.907 177.584 -0.091 0.000 1.195 11 A CA 1.838 53.841 52.037 -0.057 0.000 0.616 11 A CB -1.077 17.886 19.000 -0.062 0.000 0.832 11 A HN 0.209 nan 8.150 nan 0.000 0.443 12 V N -0.121 119.745 119.914 -0.081 0.000 2.568 12 V HA -0.230 3.890 4.120 0.001 0.000 0.253 12 V C 2.892 178.915 176.094 -0.119 0.000 1.072 12 V CA 1.851 64.109 62.300 -0.072 0.000 1.084 12 V CB -1.157 30.669 31.823 0.004 0.000 0.676 12 V HN 0.647 nan 8.190 nan 0.000 0.469 13 A N -0.190 122.491 122.820 -0.232 0.000 1.855 13 A HA -0.148 4.172 4.320 0.001 0.000 0.213 13 A C 2.168 179.668 177.584 -0.140 0.000 1.195 13 A CA 1.346 53.231 52.037 -0.253 0.000 0.610 13 A CB -0.414 18.303 19.000 -0.471 0.000 0.837 13 A HN 0.550 nan 8.150 nan 0.000 0.444 14 E N -0.138 119.984 120.200 -0.129 0.000 2.153 14 E HA -0.090 4.260 4.350 0.001 0.000 0.194 14 E C 2.070 178.637 176.600 -0.054 0.000 0.988 14 E CA 0.906 57.260 56.400 -0.076 0.000 0.811 14 E CB -0.209 29.451 29.700 -0.067 0.000 0.746 14 E HN 0.605 nan 8.360 nan 0.000 0.466 15 A N 0.277 123.060 122.820 -0.061 0.000 2.021 15 A HA 0.202 4.522 4.320 0.001 0.000 0.216 15 A C 1.953 179.515 177.584 -0.037 0.000 1.163 15 A CA 0.910 52.918 52.037 -0.048 0.000 0.676 15 A CB -0.301 18.666 19.000 -0.056 0.000 0.818 15 A HN 0.325 nan 8.150 nan 0.000 0.453 16 G N -0.988 107.788 108.800 -0.039 0.000 2.153 16 G HA2 -0.263 3.697 3.960 0.001 0.000 0.252 16 G HA3 -0.263 3.697 3.960 0.001 0.000 0.252 16 G C -0.071 174.820 174.900 -0.015 0.000 0.994 16 G CA 0.491 45.577 45.100 -0.023 0.000 0.698 16 G HN 0.851 nan 8.290 nan 0.000 0.521 17 N N -1.612 117.075 118.700 -0.021 0.000 2.710 17 N HA 0.316 5.056 4.740 0.001 0.000 0.257 17 N C 0.816 176.311 175.510 -0.024 0.000 1.140 17 N CA -0.258 52.782 53.050 -0.016 0.000 0.953 17 N CB 1.225 39.702 38.487 -0.018 0.000 1.664 17 N HN -0.071 nan 8.380 nan 0.000 0.497 18 M N 2.863 122.453 119.600 -0.016 0.000 2.098 18 M HA 0.216 4.696 4.480 0.001 0.000 0.262 18 M C 2.022 178.300 176.300 -0.036 0.000 1.072 18 M CA 2.017 57.304 55.300 -0.022 0.000 1.133 18 M CB -0.670 31.927 32.600 -0.006 0.000 1.344 18 M HN 0.738 nan 8.290 nan 0.000 0.414 19 A N -0.427 122.375 122.820 -0.030 0.000 1.933 19 A HA -0.002 4.318 4.320 0.001 0.000 0.218 19 A C 2.299 179.852 177.584 -0.052 0.000 1.175 19 A CA 1.973 53.987 52.037 -0.038 0.000 0.628 19 A CB -1.344 17.640 19.000 -0.027 0.000 0.814 19 A HN 0.570 nan 8.150 nan 0.000 0.444 20 A N -0.449 122.342 122.820 -0.049 0.000 1.972 20 A HA 0.212 4.532 4.320 0.001 0.000 0.219 20 A C 2.345 179.881 177.584 -0.080 0.000 1.169 20 A CA 1.871 53.873 52.037 -0.058 0.000 0.635 20 A CB -0.676 18.297 19.000 -0.045 0.000 0.810 20 A HN 1.020 nan 8.150 nan 0.000 0.446 21 A N -0.614 122.156 122.820 -0.083 0.000 2.072 21 A HA 0.420 4.740 4.320 0.001 0.000 0.216 21 A C 2.339 179.838 177.584 -0.143 0.000 1.156 21 A CA 1.268 53.240 52.037 -0.108 0.000 0.701 21 A CB -0.670 18.269 19.000 -0.101 0.000 0.816 21 A HN 0.897 nan 8.150 nan 0.000 0.458 22 A N 0.551 123.297 122.820 -0.124 0.000 1.940 22 A HA -0.179 4.141 4.320 0.001 0.000 0.219 22 A C 2.098 179.580 177.584 -0.170 0.000 1.176 22 A CA 1.803 53.763 52.037 -0.129 0.000 0.631 22 A CB -0.374 18.573 19.000 -0.087 0.000 0.814 22 A HN 0.515 nan 8.150 nan 0.000 0.446 23 K N -0.990 119.301 120.400 -0.181 0.000 2.001 23 K HA -0.087 4.233 4.320 0.001 0.000 0.208 23 K C 2.296 178.662 176.600 -0.390 0.000 1.048 23 K CA 1.368 57.492 56.287 -0.271 0.000 0.932 23 K CB -0.175 32.217 32.500 -0.179 0.000 0.715 23 K HN 0.328 nan 8.250 nan 0.000 0.437 24 R N 0.740 121.104 120.500 -0.227 0.000 2.236 24 R HA 0.052 4.393 4.340 0.001 0.000 0.208 24 R C 1.958 178.198 176.300 -0.099 0.000 1.036 24 R CA 0.449 56.455 56.100 -0.156 0.000 1.001 24 R CB 0.118 30.367 30.300 -0.085 0.000 0.896 24 R HN 0.152 nan 8.270 nan 0.000 0.464 25 L N -1.298 119.845 121.223 -0.133 0.000 2.416 25 L HA 0.050 4.390 4.340 0.001 0.000 0.216 25 L C 0.258 177.159 176.870 0.053 0.000 1.098 25 L CA 0.148 54.950 54.840 -0.062 0.000 0.840 25 L CB 0.010 41.940 42.059 -0.216 0.000 0.981 25 L HN 0.314 nan 8.230 nan 0.000 0.462 26 H N -0.844 118.205 119.070 -0.036 0.000 2.899 26 H HA -0.121 4.436 4.556 0.001 0.000 0.282 26 H C -0.197 175.125 175.328 -0.010 0.000 1.198 26 H CA 0.647 56.686 56.048 -0.016 0.000 1.140 26 H CB -1.850 27.913 29.762 0.000 0.000 1.317 26 H HN 0.189 nan 8.280 nan 0.000 0.375 27 V N -1.479 118.451 119.914 0.025 0.000 3.229 27 V HA 0.618 4.738 4.120 0.001 0.000 0.310 27 V C 0.884 176.969 176.094 -0.016 0.000 1.206 27 V CA -0.866 61.448 62.300 0.023 0.000 1.051 27 V CB 2.137 33.979 31.823 0.033 0.000 1.183 27 V HN 0.149 nan 8.190 nan 0.000 0.466 28 S N -0.735 114.966 115.700 0.002 0.000 2.713 28 S HA 0.320 4.790 4.470 0.001 0.000 0.283 28 S C 0.730 175.322 174.600 -0.014 0.000 1.161 28 S CA -0.575 57.622 58.200 -0.005 0.000 0.999 28 S CB 1.587 64.795 63.200 0.013 0.000 1.039 28 S HN 0.736 nan 8.310 nan 0.000 0.548 29 Q N 0.581 120.374 119.800 -0.012 0.000 2.049 29 Q HA -0.045 4.296 4.340 0.001 0.000 0.198 29 Q C -0.856 175.152 176.000 0.014 0.000 0.971 29 Q CA 1.367 57.164 55.803 -0.011 0.000 0.833 29 Q CB -1.197 27.536 28.738 -0.009 0.000 0.896 29 Q HN 0.503 nan 8.270 nan 0.000 0.434 30 P HA -0.140 nan 4.420 nan 0.000 0.216 30 P C -1.693 175.640 177.300 0.054 0.000 1.153 30 P CA 1.776 64.896 63.100 0.034 0.000 0.858 30 P CB -0.970 30.747 31.700 0.028 0.000 0.789 31 P HA -0.049 nan 4.420 nan 0.000 0.222 31 P C 1.590 178.999 177.300 0.181 0.000 1.153 31 P CA 1.081 64.248 63.100 0.113 0.000 0.798 31 P CB -0.287 31.488 31.700 0.125 0.000 0.796 32 I N 0.000 120.659 120.570 0.148 0.000 2.163 32 I HA -0.203 3.967 4.170 0.001 0.000 0.240 32 I C 2.405 178.618 176.117 0.160 0.000 1.081 32 I CA 1.740 63.146 61.300 0.177 0.000 1.353 32 I CB -1.370 36.612 38.000 -0.030 0.000 1.054 32 I HN -0.044 nan 8.210 nan 0.000 0.407 33 T N 0.986 115.595 114.554 0.091 0.000 2.665 33 T HA -0.256 4.095 4.350 0.001 0.000 0.268 33 T C 1.922 176.665 174.700 0.072 0.000 1.035 33 T CA 1.978 64.122 62.100 0.074 0.000 1.151 33 T CB -0.384 68.513 68.868 0.048 0.000 0.862 33 T HN 0.454 nan 8.240 nan 0.000 0.438 34 R N 0.849 121.393 120.500 0.072 0.000 2.148 34 R HA -0.004 4.337 4.340 0.001 0.000 0.223 34 R C 2.226 178.560 176.300 0.056 0.000 1.088 34 R CA 1.310 57.442 56.100 0.054 0.000 0.985 34 R CB -0.269 30.059 30.300 0.046 0.000 0.880 34 R HN 0.265 nan 8.270 nan 0.000 0.451 35 Q N 0.201 120.057 119.800 0.095 0.000 2.245 35 Q HA 0.064 4.404 4.340 0.001 0.000 0.201 35 Q C 1.815 177.862 176.000 0.077 0.000 0.955 35 Q CA 1.248 57.101 55.803 0.083 0.000 0.870 35 Q CB 0.196 29.016 28.738 0.137 0.000 0.945 35 Q HN 0.302 nan 8.270 nan 0.000 0.461 36 M N -0.726 118.934 119.600 0.099 0.000 2.288 36 M HA -0.025 4.455 4.480 0.001 0.000 0.266 36 M C 1.624 177.931 176.300 0.011 0.000 1.072 36 M CA 1.296 56.640 55.300 0.074 0.000 1.132 36 M CB -0.532 32.131 32.600 0.105 0.000 1.386 36 M HN 0.216 nan 8.290 nan 0.000 0.432 37 Q N -0.213 119.595 119.800 0.013 0.000 2.435 37 Q HA 0.094 4.434 4.340 0.001 0.000 0.207 37 Q C 2.049 178.033 176.000 -0.027 0.000 0.956 37 Q CA 1.054 56.850 55.803 -0.011 0.000 0.917 37 Q CB -0.045 28.693 28.738 -0.000 0.000 0.997 37 Q HN 0.519 nan 8.270 nan 0.000 0.497 38 A N 0.367 123.175 122.820 -0.020 0.000 1.855 38 A HA -0.099 4.221 4.320 0.001 0.000 0.213 38 A C 1.887 179.431 177.584 -0.066 0.000 1.195 38 A CA 0.624 52.640 52.037 -0.034 0.000 0.610 38 A CB -0.616 18.371 19.000 -0.021 0.000 0.837 38 A HN 0.382 nan 8.150 nan 0.000 0.444 39 L N -0.316 120.861 121.223 -0.077 0.000 1.989 39 L HA -0.241 4.099 4.340 0.001 0.000 0.211 39 L C 2.643 179.391 176.870 -0.203 0.000 1.071 39 L CA 2.162 56.915 54.840 -0.144 0.000 0.749 39 L CB -0.510 41.455 42.059 -0.156 0.000 0.890 39 L HN 0.537 nan 8.230 nan 0.000 0.431 40 E N -0.530 119.566 120.200 -0.173 0.000 2.085 40 E HA -0.261 4.089 4.350 0.001 0.000 0.194 40 E C 2.068 178.581 176.600 -0.146 0.000 0.994 40 E CA 1.311 57.605 56.400 -0.177 0.000 0.801 40 E CB -0.120 29.510 29.700 -0.117 0.000 0.743 40 E HN 0.609 nan 8.360 nan 0.000 0.453 41 A N 1.336 124.092 122.820 -0.107 0.000 1.897 41 A HA -0.171 4.149 4.320 0.001 0.000 0.215 41 A C 1.671 179.197 177.584 -0.097 0.000 1.181 41 A CA 1.417 53.402 52.037 -0.086 0.000 0.620 41 A CB -0.217 18.748 19.000 -0.060 0.000 0.821 41 A HN 0.074 nan 8.150 nan 0.000 0.443 42 D N -0.424 119.910 120.400 -0.109 0.000 2.178 42 D HA -0.103 4.537 4.640 0.001 0.000 0.201 42 D C 1.601 177.817 176.300 -0.141 0.000 0.980 42 D CA 0.913 54.846 54.000 -0.111 0.000 0.842 42 D CB -0.098 40.637 40.800 -0.108 0.000 0.948 42 D HN 0.278 nan 8.370 nan 0.000 0.472 43 L N -0.749 120.354 121.223 -0.200 0.000 2.249 43 L HA 0.238 4.578 4.340 0.001 0.000 0.207 43 L C 1.503 178.267 176.870 -0.177 0.000 1.090 43 L CA 1.083 55.776 54.840 -0.245 0.000 0.802 43 L CB -0.509 41.299 42.059 -0.419 0.000 0.947 43 L HN 0.211 nan 8.230 nan 0.000 0.453 44 G N -0.344 108.366 108.800 -0.149 0.000 2.204 44 G HA2 -0.141 3.820 3.960 0.001 0.000 0.244 44 G HA3 -0.141 3.820 3.960 0.001 0.000 0.244 44 G C -0.287 174.548 174.900 -0.110 0.000 1.062 44 G CA 0.155 45.189 45.100 -0.109 0.000 0.798 44 G HN 0.177 nan 8.290 nan 0.000 0.496 45 V N -0.856 118.977 119.914 -0.135 0.000 2.924 45 V HA 0.439 4.559 4.120 0.001 0.000 0.300 45 V C 0.298 176.314 176.094 -0.130 0.000 1.227 45 V CA -0.935 61.288 62.300 -0.128 0.000 0.954 45 V CB 2.209 33.935 31.823 -0.163 0.000 1.055 45 V HN 0.470 nan 8.190 nan 0.000 0.429 46 V N 5.507 125.368 119.914 -0.089 0.000 2.439 46 V HA 0.194 4.315 4.120 0.001 0.000 0.271 46 V C 1.059 177.108 176.094 -0.075 0.000 1.040 46 V CA 0.230 62.486 62.300 -0.073 0.000 1.002 46 V CB 0.834 32.633 31.823 -0.041 0.000 1.000 46 V HN 0.759 nan 8.190 nan 0.000 0.477 47 L N 5.018 126.184 121.223 -0.094 0.000 2.354 47 L HA 0.298 4.639 4.340 0.001 0.000 0.212 47 L C 0.378 177.280 176.870 0.053 0.000 1.091 47 L CA 0.796 55.598 54.840 -0.064 0.000 0.828 47 L CB 0.014 41.936 42.059 -0.229 0.000 0.973 47 L HN 0.408 nan 8.230 nan 0.000 0.461 48 L N -0.326 120.922 121.223 0.043 0.000 2.388 48 L HA 0.403 4.743 4.340 0.001 0.000 0.264 48 L C -0.746 176.140 176.870 0.026 0.000 0.998 48 L CA -0.439 54.439 54.840 0.063 0.000 0.817 48 L CB 2.954 45.076 42.059 0.104 0.000 1.338 48 L HN -0.073 nan 8.230 nan 0.000 0.414 49 E N 3.037 123.248 120.200 0.019 0.000 2.101 49 E HA 0.189 4.539 4.350 0.001 0.000 0.260 49 E C -0.689 175.919 176.600 0.013 0.000 0.897 49 E CA -0.741 55.663 56.400 0.007 0.000 0.744 49 E CB 0.915 30.612 29.700 -0.004 0.000 1.140 49 E HN 0.327 nan 8.360 nan 0.000 0.419 50 R N 2.338 122.850 120.500 0.021 0.000 2.609 50 R HA 0.132 4.472 4.340 0.001 0.000 0.271 50 R C 0.007 176.333 176.300 0.044 0.000 1.403 50 R CA -0.116 56.004 56.100 0.033 0.000 1.138 50 R CB -0.267 30.055 30.300 0.037 0.000 1.142 50 R HN 0.349 nan 8.270 nan 0.000 0.559 51 S N 1.117 116.842 115.700 0.042 0.000 2.694 51 S HA 0.335 4.805 4.470 0.001 0.000 0.286 51 S C 0.532 175.245 174.600 0.187 0.000 1.080 51 S CA -0.691 57.531 58.200 0.037 0.000 0.953 51 S CB 0.802 63.958 63.200 -0.073 0.000 1.313 51 S HN 0.580 nan 8.310 nan 0.000 0.555 52 H N 0.601 119.675 119.070 0.007 0.000 2.316 52 H HA 0.432 4.988 4.556 0.000 0.000 0.314 52 H C 1.052 176.382 175.328 0.004 0.000 1.057 52 H CA 0.805 56.856 56.048 0.005 0.000 1.402 52 H CB -0.223 29.542 29.762 0.005 0.000 1.443 52 H HN 0.300 nan 8.280 nan 0.000 0.559 53 R N 1.634 122.225 120.500 0.150 0.000 3.192 53 R HA 0.304 4.644 4.340 0.001 0.000 0.264 53 R C 0.242 176.571 176.300 0.049 0.000 1.464 53 R CA 0.494 56.640 56.100 0.078 0.000 1.309 53 R CB -0.438 29.900 30.300 0.062 0.000 1.283 53 R HN 0.583 nan 8.270 nan 0.000 0.584 54 G N 0.288 109.118 108.800 0.050 0.000 2.217 54 G HA2 -0.073 3.887 3.960 0.001 0.000 0.173 54 G HA3 -0.073 3.887 3.960 0.001 0.000 0.173 54 G C -1.191 173.728 174.900 0.033 0.000 1.324 54 G CA -0.370 44.749 45.100 0.032 0.000 1.225 54 G HN 0.258 nan 8.290 nan 0.000 0.494 55 I N 0.446 121.029 120.570 0.021 0.000 2.750 55 I HA 0.432 4.602 4.170 0.001 0.000 0.283 55 I C -1.375 174.749 176.117 0.011 0.000 1.464 55 I CA -0.591 60.721 61.300 0.019 0.000 1.093 55 I CB 1.491 39.503 38.000 0.020 0.000 1.417 55 I HN 0.608 nan 8.210 nan 0.000 0.424 56 E N 7.081 127.287 120.200 0.010 0.000 2.212 56 E HA 0.514 4.864 4.350 0.001 0.000 0.270 56 E C -1.062 175.527 176.600 -0.017 0.000 0.956 56 E CA -0.961 55.442 56.400 0.006 0.000 0.825 56 E CB 2.776 32.486 29.700 0.018 0.000 1.167 56 E HN 0.520 nan 8.360 nan 0.000 0.400 57 L N 1.649 122.821 121.223 -0.085 0.000 2.371 57 L HA 0.180 4.520 4.340 0.001 0.000 0.272 57 L C 1.138 177.910 176.870 -0.162 0.000 1.124 57 L CA -0.366 54.358 54.840 -0.193 0.000 0.816 57 L CB 0.742 42.464 42.059 -0.561 0.000 1.129 57 L HN 0.660 nan 8.230 nan 0.000 0.448 58 T N -0.807 113.699 114.554 -0.079 0.000 2.771 58 T HA 0.318 4.669 4.350 0.001 0.000 0.290 58 T C 1.175 175.893 174.700 0.030 0.000 1.005 58 T CA -0.115 61.980 62.100 -0.008 0.000 0.944 58 T CB 1.055 69.925 68.868 0.003 0.000 1.147 58 T HN 0.615 nan 8.240 nan 0.000 0.534 59 A N 0.210 123.094 122.820 0.106 0.000 1.930 59 A HA 0.253 4.574 4.320 0.001 0.000 0.217 59 A C 2.638 180.307 177.584 0.141 0.000 1.175 59 A CA 1.588 53.732 52.037 0.177 0.000 0.627 59 A CB -1.571 17.501 19.000 0.119 0.000 0.815 59 A HN 1.167 nan 8.150 nan 0.000 0.443 60 A N -0.298 122.566 122.820 0.074 0.000 1.933 60 A HA 0.104 4.425 4.320 0.001 0.000 0.218 60 A C 2.378 180.025 177.584 0.105 0.000 1.175 60 A CA 1.930 54.002 52.037 0.058 0.000 0.628 60 A CB -1.352 17.640 19.000 -0.013 0.000 0.814 60 A HN 0.691 nan 8.150 nan 0.000 0.444 61 G N -1.064 107.788 108.800 0.087 0.000 2.459 61 G HA2 -0.282 3.679 3.960 0.001 0.000 0.217 61 G HA3 -0.282 3.679 3.960 0.001 0.000 0.217 61 G C 1.507 176.577 174.900 0.282 0.000 1.183 61 G CA 1.127 46.354 45.100 0.212 0.000 0.776 61 G HN 0.652 nan 8.290 nan 0.000 0.552 62 H N 0.890 120.091 119.070 0.218 0.000 2.352 62 H HA -0.039 4.517 4.556 0.000 0.000 0.299 62 H C 2.963 178.381 175.328 0.151 0.000 1.097 62 H CA 1.386 57.525 56.048 0.152 0.000 1.311 62 H CB -0.577 29.239 29.762 0.090 0.000 1.377 62 H HN 0.390 nan 8.280 nan 0.000 0.504 63 A N 0.741 123.727 122.820 0.277 0.000 1.902 63 A HA -0.171 4.149 4.320 0.001 0.000 0.217 63 A C 2.286 180.006 177.584 0.227 0.000 1.181 63 A CA 1.317 53.477 52.037 0.204 0.000 0.623 63 A CB -0.859 18.241 19.000 0.165 0.000 0.818 63 A HN 0.323 nan 8.150 nan 0.000 0.443 64 F N 0.108 120.125 119.950 0.111 0.000 2.234 64 F HA -0.009 4.518 4.527 0.000 0.000 0.296 64 F C 1.880 177.806 175.800 0.211 0.000 1.089 64 F CA 0.866 58.920 58.000 0.090 0.000 1.343 64 F CB -0.158 38.822 39.000 -0.034 0.000 1.040 64 F HN 0.180 nan 8.300 nan 0.000 0.498 65 L N 0.503 121.922 121.223 0.327 0.000 2.043 65 L HA -0.261 4.080 4.340 0.001 0.000 0.212 65 L C 2.206 179.074 176.870 -0.004 0.000 1.075 65 L CA 2.313 57.285 54.840 0.220 0.000 0.752 65 L CB -0.890 41.249 42.059 0.134 0.000 0.891 65 L HN 0.304 nan 8.230 nan 0.000 0.432 66 E N -0.445 119.767 120.200 0.020 0.000 2.085 66 E HA -0.254 4.096 4.350 0.001 0.000 0.194 66 E C 1.739 178.291 176.600 -0.080 0.000 0.994 66 E CA 1.614 58.005 56.400 -0.014 0.000 0.801 66 E CB 0.117 29.831 29.700 0.024 0.000 0.743 66 E HN 0.541 nan 8.360 nan 0.000 0.453 67 D N -0.366 119.948 120.400 -0.143 0.000 2.149 67 D HA -0.085 4.556 4.640 0.001 0.000 0.201 67 D C 1.776 177.879 176.300 -0.330 0.000 0.972 67 D CA 1.011 54.890 54.000 -0.203 0.000 0.835 67 D CB -0.068 40.635 40.800 -0.162 0.000 0.966 67 D HN 0.208 nan 8.370 nan 0.000 0.476 68 A N 1.091 123.574 122.820 -0.562 0.000 1.933 68 A HA -0.175 4.145 4.320 0.001 0.000 0.218 68 A C 2.200 179.678 177.584 -0.177 0.000 1.175 68 A CA 1.114 52.869 52.037 -0.470 0.000 0.628 68 A CB -0.384 18.330 19.000 -0.477 0.000 0.814 68 A HN 0.071 nan 8.150 nan 0.000 0.444 69 R N -0.664 119.762 120.500 -0.123 0.000 2.080 69 R HA -0.106 4.235 4.340 0.001 0.000 0.236 69 R C 2.489 178.765 176.300 -0.040 0.000 1.137 69 R CA 1.937 58.004 56.100 -0.054 0.000 0.943 69 R CB -0.258 30.016 30.300 -0.043 0.000 0.846 69 R HN 0.475 nan 8.270 nan 0.000 0.431 70 R N -0.040 120.424 120.500 -0.060 0.000 2.115 70 R HA -0.049 4.291 4.340 0.001 0.000 0.230 70 R C 2.271 178.557 176.300 -0.024 0.000 1.111 70 R CA 1.163 57.240 56.100 -0.040 0.000 0.976 70 R CB -0.230 30.042 30.300 -0.046 0.000 0.870 70 R HN 0.276 nan 8.270 nan 0.000 0.445 71 I N 0.845 121.388 120.570 -0.046 0.000 2.226 71 I HA -0.281 3.889 4.170 0.001 0.000 0.245 71 I C 2.074 178.244 176.117 0.088 0.000 1.100 71 I CA 1.289 62.579 61.300 -0.016 0.000 1.374 71 I CB -0.156 37.780 38.000 -0.107 0.000 1.057 71 I HN 0.139 nan 8.210 nan 0.000 0.413 72 L N 0.094 121.372 121.223 0.091 0.000 2.217 72 L HA -0.158 4.183 4.340 0.001 0.000 0.211 72 L C 2.491 179.430 176.870 0.116 0.000 1.107 72 L CA 0.785 55.734 54.840 0.182 0.000 0.783 72 L CB -0.477 41.668 42.059 0.144 0.000 0.919 72 L HN 0.223 nan 8.230 nan 0.000 0.442 73 E N 1.047 121.284 120.200 0.062 0.000 2.047 73 E HA -0.191 4.160 4.350 0.001 0.000 0.191 73 E C 2.213 178.836 176.600 0.037 0.000 0.987 73 E CA 1.230 57.652 56.400 0.037 0.000 0.799 73 E CB -0.227 29.480 29.700 0.013 0.000 0.752 73 E HN 0.312 nan 8.360 nan 0.000 0.449 74 L N -0.184 121.064 121.223 0.042 0.000 2.017 74 L HA -0.174 4.166 4.340 0.001 0.000 0.208 74 L C 2.314 179.219 176.870 0.059 0.000 1.073 74 L CA 1.498 56.360 54.840 0.037 0.000 0.745 74 L CB -0.537 41.546 42.059 0.039 0.000 0.894 74 L HN 0.312 nan 8.230 nan 0.000 0.432 75 A N -0.368 122.515 122.820 0.105 0.000 1.898 75 A HA -0.125 4.195 4.320 0.001 0.000 0.216 75 A C 2.290 179.881 177.584 0.013 0.000 1.181 75 A CA 1.548 53.632 52.037 0.079 0.000 0.620 75 A CB -1.173 17.911 19.000 0.141 0.000 0.819 75 A HN 0.500 nan 8.150 nan 0.000 0.442 76 G N -0.466 108.349 108.800 0.025 0.000 2.418 76 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 76 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 76 G C 1.710 176.617 174.900 0.012 0.000 1.158 76 G CA 0.810 45.915 45.100 0.008 0.000 0.771 76 G HN 0.560 nan 8.290 nan 0.000 0.545 77 R N 0.377 120.890 120.500 0.022 0.000 2.235 77 R HA 0.088 4.429 4.340 0.001 0.000 0.213 77 R C 2.511 178.832 176.300 0.035 0.000 1.059 77 R CA 0.908 57.026 56.100 0.030 0.000 0.997 77 R CB -0.002 30.317 30.300 0.031 0.000 0.884 77 R HN 0.288 nan 8.270 nan 0.000 0.462 78 S N -0.308 115.408 115.700 0.027 0.000 2.458 78 S HA 0.026 4.497 4.470 0.001 0.000 0.223 78 S C 1.840 176.446 174.600 0.009 0.000 1.019 78 S CA 0.694 58.909 58.200 0.026 0.000 0.937 78 S CB 0.493 63.711 63.200 0.030 0.000 0.788 78 S HN 0.541 nan 8.310 nan 0.000 0.511 79 G N 1.863 110.660 108.800 -0.006 0.000 2.403 79 G HA2 -0.154 3.807 3.960 0.001 0.000 0.216 79 G HA3 -0.154 3.807 3.960 0.001 0.000 0.216 79 G C 0.947 175.844 174.900 -0.005 0.000 1.154 79 G CA 0.660 45.750 45.100 -0.017 0.000 0.784 79 G HN 0.349 nan 8.290 nan 0.000 0.538 80 D N 0.056 120.458 120.400 0.004 0.000 2.178 80 D HA -0.042 4.598 4.640 0.001 0.000 0.202 80 D C 2.405 178.713 176.300 0.014 0.000 0.974 80 D CA 0.542 54.547 54.000 0.009 0.000 0.841 80 D CB -0.123 40.688 40.800 0.017 0.000 0.953 80 D HN 0.251 nan 8.370 nan 0.000 0.478 81 R N 0.399 120.912 120.500 0.021 0.000 2.115 81 R HA -0.069 4.271 4.340 0.001 0.000 0.226 81 R C 2.251 178.559 176.300 0.015 0.000 1.100 81 R CA 1.307 57.422 56.100 0.025 0.000 0.980 81 R CB 0.136 30.460 30.300 0.040 0.000 0.875 81 R HN 0.199 nan 8.270 nan 0.000 0.445 82 S N -0.144 115.561 115.700 0.009 0.000 2.377 82 S HA -0.063 4.407 4.470 0.001 0.000 0.223 82 S C 1.871 176.471 174.600 0.000 0.000 1.030 82 S CA 0.342 58.544 58.200 0.004 0.000 0.970 82 S CB -0.190 63.010 63.200 0.000 0.000 0.830 82 S HN 0.294 nan 8.310 nan 0.000 0.473 83 R N 1.571 122.070 120.500 -0.001 0.000 2.105 83 R HA 0.038 4.379 4.340 0.001 0.000 0.239 83 R C 2.645 178.943 176.300 -0.002 0.000 1.135 83 R CA 1.343 57.441 56.100 -0.003 0.000 0.967 83 R CB -0.721 29.577 30.300 -0.004 0.000 0.861 83 R HN 0.597 nan 8.270 nan 0.000 0.442 84 A N 0.960 123.781 122.820 0.001 0.000 1.929 84 A HA 0.000 4.321 4.320 0.001 0.000 0.216 84 A C 2.284 179.868 177.584 -0.001 0.000 1.176 84 A CA 1.410 53.447 52.037 0.000 0.000 0.628 84 A CB -0.385 18.618 19.000 0.004 0.000 0.816 84 A HN 0.371 nan 8.150 nan 0.000 0.444 85 A N -0.368 122.453 122.820 0.001 0.000 2.016 85 A HA 0.341 4.661 4.320 0.001 0.000 0.217 85 A C 2.374 179.957 177.584 -0.002 0.000 1.162 85 A CA 1.505 53.542 52.037 0.000 0.000 0.662 85 A CB -0.704 18.298 19.000 0.003 0.000 0.812 85 A HN 0.867 nan 8.150 nan 0.000 0.450 86 A N 0.440 123.258 122.820 -0.002 0.000 1.873 86 A HA -0.140 4.181 4.320 0.001 0.000 0.215 86 A C 2.162 179.743 177.584 -0.005 0.000 1.186 86 A CA 1.406 53.441 52.037 -0.003 0.000 0.616 86 A CB -0.426 18.572 19.000 -0.004 0.000 0.823 86 A HN 0.519 nan 8.150 nan 0.000 0.442 87 R N -1.449 119.047 120.500 -0.006 0.000 2.280 87 R HA 0.120 4.460 4.340 0.001 0.000 0.207 87 R C 1.387 177.682 176.300 -0.009 0.000 1.043 87 R CA 0.625 56.720 56.100 -0.008 0.000 1.006 87 R CB -0.185 30.110 30.300 -0.008 0.000 0.885 87 R HN 0.757 nan 8.270 nan 0.000 0.467 88 G N 0.827 109.622 108.800 -0.009 0.000 2.176 88 G HA2 -0.211 3.749 3.960 0.001 0.000 0.232 88 G HA3 -0.211 3.749 3.960 0.001 0.000 0.232 88 G C -0.352 174.540 174.900 -0.013 0.000 0.986 88 G CA -0.029 45.065 45.100 -0.011 0.000 0.643 88 G HN 0.264 nan 8.290 nan 0.000 0.522 89 D N -0.295 120.098 120.400 -0.013 0.000 2.368 89 D HA 0.379 5.019 4.640 0.001 0.000 0.240 89 D C 1.601 177.893 176.300 -0.013 0.000 1.169 89 D CA -0.029 53.962 54.000 -0.015 0.000 0.906 89 D CB 1.565 42.358 40.800 -0.012 0.000 1.187 89 D HN -0.001 nan 8.370 nan 0.000 0.435 90 V N 0.422 120.325 119.914 -0.017 0.000 2.951 90 V HA 0.175 4.296 4.120 0.001 0.000 0.255 90 V C 1.189 177.279 176.094 -0.006 0.000 1.088 90 V CA 1.407 63.700 62.300 -0.012 0.000 1.109 90 V CB -0.823 30.990 31.823 -0.017 0.000 0.724 90 V HN 0.930 nan 8.190 nan 0.000 0.471 91 G N 0.304 109.101 108.800 -0.005 0.000 2.710 91 G HA2 -0.192 3.769 3.960 0.001 0.000 0.668 91 G HA3 -0.192 3.769 3.960 0.001 0.000 0.668 91 G C -0.473 174.428 174.900 0.002 0.000 1.320 91 G CA -0.226 44.875 45.100 0.001 0.000 0.860 91 G HN 0.345 nan 8.290 nan 0.000 0.538 92 E N -0.867 119.342 120.200 0.014 0.000 2.227 92 E HA 0.486 4.836 4.350 0.001 0.000 0.282 92 E C -0.302 176.298 176.600 0.000 0.000 1.015 92 E CA -0.845 55.569 56.400 0.023 0.000 0.823 92 E CB 0.997 30.723 29.700 0.043 0.000 1.081 92 E HN 0.578 nan 8.360 nan 0.000 0.396 93 L N 4.332 125.533 121.223 -0.035 0.000 2.261 93 L HA 0.194 4.534 4.340 0.001 0.000 0.289 93 L C -0.414 176.478 176.870 0.037 0.000 1.059 93 L CA 0.278 55.049 54.840 -0.114 0.000 0.816 93 L CB 1.185 43.092 42.059 -0.253 0.000 1.191 93 L HN 0.349 nan 8.230 nan 0.000 0.431 94 S N 4.852 120.724 115.700 0.288 0.000 2.400 94 S HA 0.548 5.018 4.470 0.001 0.000 0.295 94 S C -0.505 174.152 174.600 0.097 0.000 1.113 94 S CA -0.574 57.724 58.200 0.163 0.000 1.064 94 S CB -0.028 63.234 63.200 0.104 0.000 0.990 94 S HN 0.445 nan 8.310 nan 0.000 0.502 95 V N 4.374 124.330 119.914 0.070 0.000 2.555 95 V HA 0.864 4.984 4.120 0.001 0.000 0.302 95 V C 0.322 176.526 176.094 0.183 0.000 1.038 95 V CA -0.651 61.715 62.300 0.110 0.000 0.887 95 V CB 1.508 33.375 31.823 0.074 0.000 0.991 95 V HN 0.986 nan 8.190 nan 0.000 0.434 96 A N 4.161 127.118 122.820 0.228 0.000 2.384 96 A HA 1.027 5.348 4.320 0.001 0.000 0.312 96 A C -1.324 176.491 177.584 0.385 0.000 1.113 96 A CA -0.576 51.592 52.037 0.218 0.000 0.779 96 A CB 1.776 20.829 19.000 0.089 0.000 1.307 96 A HN 1.303 nan 8.150 nan 0.000 0.436 97 Y N -1.514 118.904 120.300 0.198 0.000 2.571 97 Y HA 0.793 5.344 4.550 0.001 0.000 0.341 97 Y C -1.708 174.315 175.900 0.204 0.000 1.076 97 Y CA -1.836 56.416 58.100 0.254 0.000 1.029 97 Y CB 1.194 39.779 38.460 0.209 0.000 1.308 97 Y HN 0.711 nan 8.280 nan 0.000 0.461 98 F N 2.338 122.404 119.950 0.194 0.000 2.569 98 F HA 0.771 5.298 4.527 0.000 0.000 0.312 98 F C 0.370 176.325 175.800 0.258 0.000 1.109 98 F CA 0.306 58.353 58.000 0.078 0.000 0.919 98 F CB 1.913 40.891 39.000 -0.035 0.000 1.211 98 F HN 1.237 nan 8.300 nan 0.000 0.446 99 G N 3.036 111.631 108.800 -0.342 0.000 2.642 99 G HA2 -0.217 3.743 3.960 0.001 0.000 0.231 99 G HA3 -0.217 3.743 3.960 0.001 0.000 0.231 99 G C 0.493 175.454 174.900 0.101 0.000 1.338 99 G CA -0.004 44.997 45.100 -0.166 0.000 0.883 99 G HN 1.449 nan 8.290 nan 0.000 0.570 100 T N -1.719 112.859 114.554 0.040 0.000 3.129 100 T HA 0.301 4.651 4.350 0.001 0.000 0.251 100 T C -0.232 174.555 174.700 0.145 0.000 1.117 100 T CA 1.166 63.319 62.100 0.089 0.000 1.034 100 T CB -0.098 68.645 68.868 -0.208 0.000 0.968 100 T HN 0.387 nan 8.240 nan 0.000 0.526 101 P HA -0.037 nan 4.420 nan 0.000 0.218 101 P C 1.399 178.713 177.300 0.025 0.000 1.146 101 P CA 0.394 63.541 63.100 0.078 0.000 0.813 101 P CB -0.179 31.598 31.700 0.129 0.000 0.778 102 I N -2.170 118.399 120.570 -0.002 0.000 2.700 102 I HA -0.209 3.961 4.170 0.001 0.000 0.261 102 I C 1.487 177.485 176.117 -0.199 0.000 1.219 102 I CA 1.255 62.403 61.300 -0.253 0.000 1.463 102 I CB -0.772 36.864 38.000 -0.607 0.000 1.092 102 I HN -0.059 nan 8.210 nan 0.000 0.452 103 Y N -0.397 119.834 120.300 -0.115 0.000 2.395 103 Y HA -0.039 4.511 4.550 0.001 0.000 0.293 103 Y C 2.586 178.435 175.900 -0.085 0.000 1.123 103 Y CA 1.185 59.243 58.100 -0.069 0.000 1.227 103 Y CB -0.098 38.359 38.460 -0.004 0.000 1.012 103 Y HN 0.170 nan 8.280 nan 0.000 0.552 104 R N -1.547 118.982 120.500 0.048 0.000 4.485 104 R HA 0.012 4.352 4.340 0.001 0.000 0.062 104 R C 1.935 178.219 176.300 -0.026 0.000 0.733 104 R CA 1.211 57.308 56.100 -0.004 0.000 1.826 104 R CB -0.717 29.584 30.300 0.002 0.000 1.459 104 R HN 0.015 nan 8.270 nan 0.000 0.422 105 S N 1.591 117.283 115.700 -0.013 0.000 2.383 105 S HA -0.170 4.301 4.470 0.001 0.000 0.229 105 S C 1.787 176.357 174.600 -0.050 0.000 1.030 105 S CA 1.604 59.796 58.200 -0.013 0.000 1.002 105 S CB -0.529 62.678 63.200 0.013 0.000 0.829 105 S HN 0.304 nan 8.310 nan 0.000 0.467 106 L N 2.920 124.076 121.223 -0.113 0.000 2.068 106 L HA 0.244 4.585 4.340 0.001 0.000 0.204 106 L C -1.186 175.565 176.870 -0.198 0.000 1.076 106 L CA 1.130 55.814 54.840 -0.261 0.000 0.753 106 L CB -1.422 40.403 42.059 -0.390 0.000 0.910 106 L HN 0.067 nan 8.230 nan 0.000 0.439 107 P HA -0.208 nan 4.420 nan 0.000 0.215 107 P C 2.185 179.458 177.300 -0.046 0.000 1.157 107 P CA 1.724 64.764 63.100 -0.100 0.000 0.874 107 P CB -0.090 31.549 31.700 -0.101 0.000 0.790 108 L N -1.584 119.620 121.223 -0.032 0.000 2.079 108 L HA -0.192 4.148 4.340 0.001 0.000 0.210 108 L C 2.452 179.349 176.870 0.046 0.000 1.081 108 L CA 1.289 56.131 54.840 0.004 0.000 0.752 108 L CB -0.700 41.361 42.059 0.004 0.000 0.896 108 L HN 0.027 nan 8.230 nan 0.000 0.433 109 L N -0.762 120.486 121.223 0.043 0.000 2.131 109 L HA -0.155 4.185 4.340 0.001 0.000 0.206 109 L C 2.364 179.346 176.870 0.187 0.000 1.087 109 L CA 0.871 55.788 54.840 0.128 0.000 0.767 109 L CB 0.073 42.181 42.059 0.082 0.000 0.917 109 L HN 0.190 nan 8.230 nan 0.000 0.441 110 L N -0.688 120.597 121.223 0.102 0.000 2.072 110 L HA -0.174 4.167 4.340 0.001 0.000 0.205 110 L C 2.718 179.675 176.870 0.145 0.000 1.079 110 L CA 0.752 55.682 54.840 0.151 0.000 0.752 110 L CB -0.586 41.495 42.059 0.038 0.000 0.906 110 L HN 0.249 nan 8.230 nan 0.000 0.436 111 R N 1.180 121.724 120.500 0.073 0.000 2.136 111 R HA -0.238 4.103 4.340 0.001 0.000 0.242 111 R C 2.217 178.553 176.300 0.061 0.000 1.131 111 R CA 2.244 58.372 56.100 0.047 0.000 0.937 111 R CB -0.889 29.426 30.300 0.026 0.000 0.863 111 R HN 0.328 nan 8.270 nan 0.000 0.435 112 A N -0.567 122.321 122.820 0.113 0.000 1.902 112 A HA -0.139 4.181 4.320 0.001 0.000 0.217 112 A C 2.254 179.864 177.584 0.044 0.000 1.181 112 A CA 1.534 53.660 52.037 0.150 0.000 0.623 112 A CB -0.934 18.242 19.000 0.293 0.000 0.818 112 A HN 0.551 nan 8.150 nan 0.000 0.443 113 F N 0.394 120.145 119.950 -0.332 0.000 2.171 113 F HA -0.082 4.445 4.527 0.001 0.000 0.300 113 F C 1.814 177.490 175.800 -0.206 0.000 1.090 113 F CA 1.499 59.129 58.000 -0.616 0.000 1.293 113 F CB -0.178 38.554 39.000 -0.447 0.000 1.013 113 F HN 0.126 nan 8.300 nan 0.000 0.486 114 L N -0.607 120.506 121.223 -0.184 0.000 2.156 114 L HA -0.160 4.180 4.340 0.001 0.000 0.208 114 L C 2.285 179.022 176.870 -0.222 0.000 1.095 114 L CA 1.466 56.160 54.840 -0.243 0.000 0.770 114 L CB -0.962 41.073 42.059 -0.040 0.000 0.914 114 L HN 0.128 nan 8.230 nan 0.000 0.439 115 T N -0.752 113.718 114.554 -0.140 0.000 2.833 115 T HA -0.133 4.218 4.350 0.001 0.000 0.269 115 T C 1.684 176.312 174.700 -0.121 0.000 1.054 115 T CA 1.704 63.746 62.100 -0.097 0.000 1.135 115 T CB -0.095 68.749 68.868 -0.039 0.000 0.869 115 T HN 0.462 nan 8.240 nan 0.000 0.466 116 S N 0.024 115.620 115.700 -0.174 0.000 2.575 116 S HA 0.232 4.703 4.470 0.001 0.000 0.237 116 S C 0.291 174.745 174.600 -0.244 0.000 0.975 116 S CA -0.562 57.547 58.200 -0.151 0.000 0.960 116 S CB 0.294 63.454 63.200 -0.067 0.000 0.822 116 S HN 0.186 nan 8.310 nan 0.000 0.472 117 T N 3.686 118.021 114.554 -0.364 0.000 3.477 117 T HA 0.341 4.691 4.350 0.001 0.000 0.277 117 T C -2.786 171.734 174.700 -0.300 0.000 1.090 117 T CA -0.699 61.164 62.100 -0.395 0.000 1.635 117 T CB 1.639 70.051 68.868 -0.760 0.000 0.817 117 T HN 0.079 nan 8.240 nan 0.000 0.609 118 P HA 0.077 nan 4.420 nan 0.000 0.255 118 P C 1.382 178.623 177.300 -0.097 0.000 1.248 118 P CA 0.284 63.304 63.100 -0.132 0.000 0.807 118 P CB -0.066 31.576 31.700 -0.096 0.000 1.150 119 T N -3.921 110.577 114.554 -0.093 0.000 3.037 119 T HA 0.363 4.713 4.350 0.001 0.000 0.252 119 T C 1.126 175.795 174.700 -0.053 0.000 1.073 119 T CA 0.046 62.109 62.100 -0.061 0.000 1.091 119 T CB -0.729 68.110 68.868 -0.048 0.000 0.935 119 T HN 0.076 nan 8.240 nan 0.000 0.488 120 A N 2.770 125.545 122.820 -0.074 0.000 2.584 120 A HA 0.448 4.768 4.320 0.001 0.000 0.239 120 A C 0.945 178.524 177.584 -0.008 0.000 1.043 120 A CA 0.332 52.349 52.037 -0.033 0.000 0.756 120 A CB -0.366 18.595 19.000 -0.065 0.000 0.963 120 A HN 0.703 nan 8.150 nan 0.000 0.511 121 T N -0.726 113.839 114.554 0.019 0.000 2.841 121 T HA 0.757 5.107 4.350 0.001 0.000 0.276 121 T C -0.303 174.420 174.700 0.037 0.000 1.003 121 T CA -0.796 61.317 62.100 0.021 0.000 0.995 121 T CB 1.408 70.282 68.868 0.010 0.000 1.260 121 T HN 0.817 nan 8.240 nan 0.000 0.581 122 V N 0.193 120.121 119.914 0.024 0.000 2.971 122 V HA 0.697 4.817 4.120 0.001 0.000 0.309 122 V C -0.526 175.579 176.094 0.018 0.000 1.130 122 V CA -0.771 61.537 62.300 0.013 0.000 0.964 122 V CB 2.389 34.216 31.823 0.007 0.000 1.029 122 V HN 1.087 nan 8.190 nan 0.000 0.427 123 S N 3.324 119.040 115.700 0.026 0.000 2.503 123 S HA 0.835 5.305 4.470 0.001 0.000 0.301 123 S C -1.107 173.535 174.600 0.069 0.000 1.087 123 S CA -0.488 57.739 58.200 0.046 0.000 1.042 123 S CB 1.023 64.255 63.200 0.054 0.000 1.043 123 S HN 0.516 nan 8.310 nan 0.000 0.489 124 L N 3.341 124.624 121.223 0.100 0.000 2.376 124 L HA 0.550 4.890 4.340 0.001 0.000 0.275 124 L C -0.757 176.257 176.870 0.239 0.000 0.987 124 L CA -0.495 54.461 54.840 0.193 0.000 0.828 124 L CB 2.254 44.411 42.059 0.162 0.000 1.249 124 L HN 0.555 nan 8.230 nan 0.000 0.409 125 T N -0.265 114.427 114.554 0.230 0.000 2.879 125 T HA 0.236 4.587 4.350 0.001 0.000 0.290 125 T C -0.740 173.859 174.700 -0.167 0.000 0.993 125 T CA -0.632 61.525 62.100 0.094 0.000 0.975 125 T CB 1.211 70.107 68.868 0.046 0.000 0.981 125 T HN 0.469 nan 8.240 nan 0.000 0.439 126 H N 3.520 122.323 119.070 -0.446 0.000 2.899 126 H HA 0.548 5.104 4.556 0.001 0.000 0.303 126 H C -0.473 174.706 175.328 -0.248 0.000 1.042 126 H CA 0.151 55.756 56.048 -0.738 0.000 1.479 126 H CB 0.237 29.705 29.762 -0.489 0.000 1.493 126 H HN 0.457 nan 8.280 nan 0.000 0.534 127 M N 3.680 122.937 119.600 -0.572 0.000 2.501 127 M HA 0.202 4.683 4.480 0.001 0.000 0.293 127 M C -0.120 175.999 176.300 -0.302 0.000 1.192 127 M CA -1.014 54.112 55.300 -0.289 0.000 0.886 127 M CB 2.444 34.964 32.600 -0.133 0.000 1.710 127 M HN 0.755 nan 8.290 nan 0.000 0.457 128 T N -1.155 113.270 114.554 -0.215 0.000 2.795 128 T HA 0.198 4.548 4.350 0.001 0.000 0.314 128 T C 0.784 175.302 174.700 -0.303 0.000 1.069 128 T CA -0.258 61.603 62.100 -0.398 0.000 1.071 128 T CB 0.696 69.389 68.868 -0.291 0.000 0.988 128 T HN 0.710 nan 8.240 nan 0.000 0.543 129 K N 0.406 120.560 120.400 -0.411 0.000 2.211 129 K HA -0.121 4.200 4.320 0.001 0.000 0.204 129 K C 1.774 178.365 176.600 -0.015 0.000 1.047 129 K CA 1.637 57.869 56.287 -0.092 0.000 0.935 129 K CB -0.082 32.346 32.500 -0.120 0.000 0.728 129 K HN 0.553 nan 8.250 nan 0.000 0.452 130 D N 0.520 120.874 120.400 -0.077 0.000 2.120 130 D HA -0.087 4.553 4.640 0.001 0.000 0.202 130 D C 1.628 177.904 176.300 -0.041 0.000 0.972 130 D CA 0.989 54.968 54.000 -0.035 0.000 0.837 130 D CB 0.018 40.798 40.800 -0.033 0.000 0.989 130 D HN 0.235 nan 8.370 nan 0.000 0.469 131 E N 0.611 120.778 120.200 -0.055 0.000 2.153 131 E HA -0.174 4.176 4.350 0.001 0.000 0.194 131 E C 2.095 178.665 176.600 -0.050 0.000 0.988 131 E CA 0.659 57.031 56.400 -0.047 0.000 0.811 131 E CB 0.001 29.673 29.700 -0.046 0.000 0.746 131 E HN 0.328 nan 8.360 nan 0.000 0.466 132 Q N 0.088 119.861 119.800 -0.045 0.000 2.124 132 Q HA -0.146 4.194 4.340 0.001 0.000 0.202 132 Q C 2.262 178.216 176.000 -0.078 0.000 0.977 132 Q CA 1.196 56.979 55.803 -0.033 0.000 0.850 132 Q CB 0.158 28.919 28.738 0.038 0.000 0.901 132 Q HN 0.168 nan 8.270 nan 0.000 0.429 133 V N 0.660 120.515 119.914 -0.097 0.000 2.323 133 V HA -0.225 3.895 4.120 0.001 0.000 0.244 133 V C 1.781 177.769 176.094 -0.177 0.000 1.041 133 V CA 1.784 63.966 62.300 -0.195 0.000 1.025 133 V CB -0.405 31.254 31.823 -0.272 0.000 0.656 133 V HN 0.336 nan 8.190 nan 0.000 0.451 134 E N 0.470 120.606 120.200 -0.108 0.000 2.097 134 E HA -0.207 4.143 4.350 0.001 0.000 0.196 134 E C 2.268 178.825 176.600 -0.072 0.000 1.000 134 E CA 1.494 57.851 56.400 -0.073 0.000 0.804 134 E CB -0.528 29.148 29.700 -0.039 0.000 0.740 134 E HN 0.638 nan 8.360 nan 0.000 0.454 135 G N 0.439 109.196 108.800 -0.072 0.000 2.422 135 G HA2 -0.191 3.769 3.960 0.001 0.000 0.218 135 G HA3 -0.191 3.769 3.960 0.001 0.000 0.218 135 G C 1.511 176.360 174.900 -0.086 0.000 1.140 135 G CA 0.296 45.354 45.100 -0.070 0.000 0.775 135 G HN 0.089 nan 8.290 nan 0.000 0.545 136 L N -0.151 121.014 121.223 -0.098 0.000 2.056 136 L HA 0.054 4.394 4.340 0.001 0.000 0.207 136 L C 2.867 179.687 176.870 -0.083 0.000 1.078 136 L CA 0.511 55.295 54.840 -0.094 0.000 0.749 136 L CB -0.327 41.665 42.059 -0.113 0.000 0.901 136 L HN 0.183 nan 8.230 nan 0.000 0.433 137 L N -0.448 120.718 121.223 -0.096 0.000 2.056 137 L HA -0.165 4.175 4.340 0.001 0.000 0.207 137 L C 2.828 179.671 176.870 -0.044 0.000 1.078 137 L CA 1.166 55.966 54.840 -0.067 0.000 0.749 137 L CB -0.761 41.254 42.059 -0.073 0.000 0.901 137 L HN 0.220 nan 8.230 nan 0.000 0.433 138 A N -0.524 122.266 122.820 -0.050 0.000 2.015 138 A HA 0.060 4.381 4.320 0.001 0.000 0.219 138 A C 1.977 179.532 177.584 -0.047 0.000 1.163 138 A CA 1.464 53.477 52.037 -0.040 0.000 0.646 138 A CB -0.589 18.386 19.000 -0.042 0.000 0.806 138 A HN 0.593 nan 8.150 nan 0.000 0.448 139 G N -2.202 106.554 108.800 -0.073 0.000 2.194 139 G HA2 -0.318 3.642 3.960 0.001 0.000 0.236 139 G HA3 -0.318 3.642 3.960 0.001 0.000 0.236 139 G C 1.193 175.986 174.900 -0.178 0.000 0.987 139 G CA 1.152 46.186 45.100 -0.110 0.000 0.635 139 G HN 1.272 nan 8.290 nan 0.000 0.520 140 T N -0.827 113.649 114.554 -0.130 0.000 2.929 140 T HA 0.301 4.652 4.350 0.001 0.000 0.271 140 T C 1.127 175.724 174.700 -0.172 0.000 1.085 140 T CA 1.504 63.529 62.100 -0.125 0.000 1.125 140 T CB -0.217 68.610 68.868 -0.069 0.000 0.874 140 T HN 1.597 nan 8.240 nan 0.000 0.494 141 I N -2.332 118.124 120.570 -0.189 0.000 2.582 141 I HA 0.615 4.786 4.170 0.001 0.000 0.292 141 I C 0.442 176.439 176.117 -0.199 0.000 1.066 141 I CA -1.321 59.875 61.300 -0.173 0.000 1.053 141 I CB 1.654 39.622 38.000 -0.053 0.000 1.241 141 I HN -0.193 nan 8.210 nan 0.000 0.421 142 H N 3.312 122.368 119.070 -0.023 0.000 2.355 142 H HA 0.358 4.915 4.556 0.001 0.000 0.303 142 H C 0.294 175.623 175.328 0.002 0.000 1.061 142 H CA 1.428 57.461 56.048 -0.025 0.000 1.368 142 H CB 0.563 30.283 29.762 -0.071 0.000 1.412 142 H HN 0.427 nan 8.280 nan 0.000 0.523 143 V N -0.048 119.928 119.914 0.103 0.000 3.007 143 V HA 0.723 4.843 4.120 0.001 0.000 0.311 143 V C -0.679 175.448 176.094 0.054 0.000 1.120 143 V CA -0.590 61.759 62.300 0.081 0.000 0.980 143 V CB 2.050 33.939 31.823 0.111 0.000 1.033 143 V HN 0.367 nan 8.190 nan 0.000 0.429 144 G N 3.611 112.377 108.800 -0.056 0.000 2.542 144 G HA2 0.720 4.680 3.960 0.001 0.000 0.311 144 G HA3 0.720 4.680 3.960 0.001 0.000 0.311 144 G C -1.790 173.072 174.900 -0.063 0.000 1.298 144 G CA -0.446 44.671 45.100 0.027 0.000 0.973 144 G HN 0.481 nan 8.290 nan 0.000 0.487 145 F N 0.898 121.057 119.950 0.348 0.000 2.495 145 F HA 0.783 5.310 4.527 0.001 0.000 0.327 145 F C 0.648 176.721 175.800 0.455 0.000 1.103 145 F CA -0.209 58.032 58.000 0.401 0.000 0.949 145 F CB 2.796 41.975 39.000 0.298 0.000 1.142 145 F HN 0.614 nan 8.300 nan 0.000 0.457 146 S N 1.716 117.741 115.700 0.541 0.000 2.930 146 S HA 0.511 4.981 4.470 0.001 0.000 0.306 146 S C 0.403 175.047 174.600 0.074 0.000 1.238 146 S CA -0.599 57.720 58.200 0.199 0.000 1.000 146 S CB 1.140 64.209 63.200 -0.219 0.000 1.342 146 S HN 0.644 nan 8.310 nan 0.000 0.575 147 R N -0.847 119.604 120.500 -0.082 0.000 2.076 147 R HA 0.366 4.707 4.340 0.001 0.000 0.203 147 R C -0.466 175.596 176.300 -0.397 0.000 1.229 147 R CA 0.592 56.580 56.100 -0.187 0.000 1.094 147 R CB -0.022 30.220 30.300 -0.097 0.000 0.991 147 R HN 0.445 nan 8.270 nan 0.000 0.471 148 F N 0.717 120.583 119.950 -0.139 0.000 2.426 148 F HA 0.383 4.911 4.527 0.001 0.000 0.348 148 F C -0.592 175.062 175.800 -0.243 0.000 1.124 148 F CA -0.809 57.137 58.000 -0.090 0.000 1.008 148 F CB 1.223 40.214 39.000 -0.014 0.000 1.139 148 F HN -0.157 nan 8.300 nan 0.000 0.452 149 F N 4.012 124.068 119.950 0.176 0.000 2.467 149 F HA 0.512 5.040 4.527 0.001 0.000 0.336 149 F C -1.920 173.927 175.800 0.078 0.000 1.123 149 F CA -2.550 55.505 58.000 0.093 0.000 0.964 149 F CB 1.214 40.229 39.000 0.025 0.000 1.136 149 F HN 0.253 nan 8.300 nan 0.000 0.447 150 P HA 0.223 nan 4.420 nan 0.000 0.271 150 P C -0.499 176.894 177.300 0.155 0.000 1.216 150 P CA -0.433 62.765 63.100 0.163 0.000 0.776 150 P CB 0.848 32.618 31.700 0.117 0.000 0.881 151 R N 1.460 122.018 120.500 0.096 0.000 2.694 151 R HA 0.268 4.608 4.340 0.001 0.000 0.268 151 R C 0.490 176.842 176.300 0.085 0.000 1.061 151 R CA 0.072 56.210 56.100 0.064 0.000 1.133 151 R CB 0.216 30.534 30.300 0.029 0.000 1.020 151 R HN 0.645 nan 8.270 nan 0.000 0.475 152 H N 3.228 122.275 119.070 -0.039 0.000 2.947 152 H HA 0.149 4.706 4.556 0.001 0.000 0.354 152 H C -1.998 173.299 175.328 -0.052 0.000 1.085 152 H CA -2.016 54.008 56.048 -0.040 0.000 1.253 152 H CB 2.314 32.047 29.762 -0.048 0.000 1.757 152 H HN 0.365 nan 8.280 nan 0.000 0.523 153 P HA -0.091 nan 4.420 nan 0.000 0.216 153 P C 1.102 178.444 177.300 0.069 0.000 1.150 153 P CA 1.573 64.697 63.100 0.039 0.000 0.843 153 P CB -0.003 31.690 31.700 -0.010 0.000 0.787 154 G N -1.011 107.873 108.800 0.139 0.000 3.141 154 G HA2 0.219 4.179 3.960 0.001 0.000 0.218 154 G HA3 0.219 4.179 3.960 0.001 0.000 0.218 154 G C 0.443 175.330 174.900 -0.021 0.000 1.170 154 G CA -0.015 45.116 45.100 0.052 0.000 0.769 154 G HN 0.145 nan 8.290 nan 0.000 0.546 155 I N 0.245 120.782 120.570 -0.056 0.000 2.509 155 I HA 0.408 4.578 4.170 0.001 0.000 0.293 155 I C -0.639 175.323 176.117 -0.259 0.000 1.020 155 I CA -1.325 59.862 61.300 -0.187 0.000 1.088 155 I CB 1.923 39.795 38.000 -0.213 0.000 1.267 155 I HN -0.027 nan 8.210 nan 0.000 0.430 156 E N 5.356 125.263 120.200 -0.488 0.000 2.204 156 E HA 0.608 4.958 4.350 0.001 0.000 0.276 156 E C -1.231 174.961 176.600 -0.680 0.000 0.974 156 E CA -0.682 55.385 56.400 -0.554 0.000 0.815 156 E CB 1.930 31.247 29.700 -0.637 0.000 1.119 156 E HN 0.432 nan 8.360 nan 0.000 0.393 157 I N 3.629 123.961 120.570 -0.397 0.000 2.378 157 I HA 0.278 4.448 4.170 0.001 0.000 0.291 157 I C -0.706 175.303 176.117 -0.180 0.000 0.992 157 I CA -0.908 60.212 61.300 -0.301 0.000 1.154 157 I CB 1.730 39.653 38.000 -0.129 0.000 1.315 157 I HN 0.176 nan 8.210 nan 0.000 0.448 158 V N 5.197 125.035 119.914 -0.126 0.000 2.448 158 V HA 0.292 4.412 4.120 0.001 0.000 0.295 158 V C -0.234 175.872 176.094 0.021 0.000 1.025 158 V CA -0.824 61.467 62.300 -0.015 0.000 0.859 158 V CB 1.659 33.520 31.823 0.063 0.000 0.988 158 V HN 0.690 nan 8.190 nan 0.000 0.431 159 N N 4.000 122.715 118.700 0.026 0.000 2.437 159 N HA 0.347 5.088 4.740 0.001 0.000 0.243 159 N C 0.484 176.016 175.510 0.037 0.000 1.041 159 N CA -0.541 52.528 53.050 0.032 0.000 0.940 159 N CB 1.458 39.953 38.487 0.013 0.000 1.133 159 N HN 0.546 nan 8.380 nan 0.000 0.506 160 I N 1.690 122.298 120.570 0.064 0.000 2.193 160 I HA 0.037 4.207 4.170 0.001 0.000 0.240 160 I C 1.065 177.207 176.117 0.041 0.000 1.084 160 I CA 0.902 62.240 61.300 0.064 0.000 1.365 160 I CB -0.214 37.858 38.000 0.120 0.000 1.064 160 I HN 0.563 nan 8.210 nan 0.000 0.410 161 A N -1.274 121.571 122.820 0.042 0.000 2.564 161 A HA 0.689 5.010 4.320 0.001 0.000 0.291 161 A C -1.421 176.172 177.584 0.014 0.000 1.102 161 A CA -0.725 51.328 52.037 0.025 0.000 0.660 161 A CB 0.945 19.963 19.000 0.030 0.000 1.283 161 A HN -0.039 nan 8.150 nan 0.000 0.430 162 Q N 0.741 120.547 119.800 0.010 0.000 2.266 162 Q HA 0.595 4.936 4.340 0.001 0.000 0.261 162 Q C -1.034 174.978 176.000 0.019 0.000 0.985 162 Q CA -0.187 55.620 55.803 0.006 0.000 0.873 162 Q CB 1.884 30.623 28.738 0.003 0.000 1.306 162 Q HN 0.722 nan 8.270 nan 0.000 0.447 163 E N 1.126 121.342 120.200 0.026 0.000 2.272 163 E HA 0.270 4.620 4.350 0.001 0.000 0.269 163 E C -1.015 175.619 176.600 0.057 0.000 0.877 163 E CA -0.688 55.739 56.400 0.045 0.000 0.755 163 E CB 1.694 31.421 29.700 0.044 0.000 1.192 163 E HN 0.401 nan 8.360 nan 0.000 0.422 164 D N 1.586 122.025 120.400 0.064 0.000 2.384 164 D HA 0.240 4.880 4.640 0.001 0.000 0.244 164 D C 0.062 176.400 176.300 0.064 0.000 1.251 164 D CA 0.107 54.115 54.000 0.013 0.000 0.961 164 D CB 0.762 41.514 40.800 -0.080 0.000 1.116 164 D HN 0.217 nan 8.370 nan 0.000 0.484 165 L N -0.053 121.150 121.223 -0.033 0.000 2.330 165 L HA 0.460 4.800 4.340 0.001 0.000 0.271 165 L C -0.947 175.848 176.870 -0.125 0.000 1.013 165 L CA -0.882 53.993 54.840 0.058 0.000 0.816 165 L CB 0.949 43.050 42.059 0.070 0.000 1.287 165 L HN 0.277 nan 8.230 nan 0.000 0.435 166 Y N 0.873 121.210 120.300 0.062 0.000 2.457 166 Y HA 0.382 4.932 4.550 0.001 0.000 0.343 166 Y C -0.271 175.707 175.900 0.130 0.000 0.994 166 Y CA -0.785 57.365 58.100 0.083 0.000 1.031 166 Y CB 2.116 40.609 38.460 0.056 0.000 1.246 166 Y HN 0.302 nan 8.280 nan 0.000 0.449 167 L N 3.164 124.518 121.223 0.219 0.000 2.453 167 L HA 0.642 4.982 4.340 0.001 0.000 0.272 167 L C -0.254 176.741 176.870 0.208 0.000 1.182 167 L CA 0.114 55.026 54.840 0.119 0.000 0.858 167 L CB 0.255 42.265 42.059 -0.083 0.000 1.120 167 L HN 0.701 nan 8.230 nan 0.000 0.474 168 A N 6.094 128.978 122.820 0.107 0.000 2.311 168 A HA 0.689 5.009 4.320 0.001 0.000 0.306 168 A C -0.889 176.629 177.584 -0.109 0.000 1.189 168 A CA -0.208 51.828 52.037 -0.001 0.000 0.791 168 A CB 0.925 19.985 19.000 0.099 0.000 1.172 168 A HN 0.948 nan 8.150 nan 0.000 0.481 169 V N 0.171 119.981 119.914 -0.172 0.000 2.960 169 V HA 0.555 4.675 4.120 0.001 0.000 0.315 169 V C 0.361 176.416 176.094 -0.064 0.000 1.087 169 V CA -0.972 61.278 62.300 -0.082 0.000 0.982 169 V CB 1.366 33.171 31.823 -0.031 0.000 1.039 169 V HN 0.937 nan 8.190 nan 0.000 0.437 170 H N 2.027 121.059 119.070 -0.065 0.000 2.852 170 H HA 0.098 4.654 4.556 0.001 0.000 0.362 170 H C 1.372 176.682 175.328 -0.031 0.000 1.122 170 H CA 0.783 56.799 56.048 -0.052 0.000 1.419 170 H CB 1.332 31.081 29.762 -0.021 0.000 1.401 170 H HN 0.904 nan 8.280 nan 0.000 0.609 171 R N 1.287 121.374 120.500 -0.689 0.000 2.200 171 R HA -0.148 4.192 4.340 0.001 0.000 0.234 171 R C 1.966 178.157 176.300 -0.182 0.000 1.127 171 R CA 1.600 57.474 56.100 -0.377 0.000 0.989 171 R CB -0.647 29.434 30.300 -0.365 0.000 0.869 171 R HN 0.480 nan 8.270 nan 0.000 0.459 172 S N -0.354 115.281 115.700 -0.107 0.000 2.555 172 S HA -0.033 4.437 4.470 0.001 0.000 0.230 172 S C 1.186 175.849 174.600 0.104 0.000 0.978 172 S CA 0.312 58.568 58.200 0.094 0.000 0.934 172 S CB -0.032 63.332 63.200 0.274 0.000 0.766 172 S HN 0.375 nan 8.310 nan 0.000 0.533 173 Q N 1.259 121.130 119.800 0.119 0.000 2.247 173 Q HA 0.224 4.565 4.340 0.001 0.000 0.211 173 Q C 2.009 178.114 176.000 0.176 0.000 0.861 173 Q CA 0.715 56.616 55.803 0.163 0.000 0.949 173 Q CB 0.110 29.014 28.738 0.275 0.000 1.115 173 Q HN 0.783 nan 8.270 nan 0.000 0.507 174 S N 0.266 116.027 115.700 0.102 0.000 2.365 174 S HA -0.187 4.283 4.470 0.001 0.000 0.225 174 S C 2.046 176.711 174.600 0.108 0.000 1.039 174 S CA 1.538 59.800 58.200 0.104 0.000 1.033 174 S CB -0.975 62.248 63.200 0.039 0.000 0.887 174 S HN 0.438 nan 8.310 nan 0.000 0.447 175 G N 1.885 110.717 108.800 0.053 0.000 2.450 175 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 175 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 175 G C 1.378 176.257 174.900 -0.035 0.000 1.130 175 G CA 1.023 46.133 45.100 0.017 0.000 0.760 175 G HN 0.621 nan 8.290 nan 0.000 0.557 176 K N -0.713 119.624 120.400 -0.104 0.000 2.147 176 K HA -0.007 4.313 4.320 0.001 0.000 0.205 176 K C 1.674 177.952 176.600 -0.537 0.000 1.049 176 K CA 1.132 57.187 56.287 -0.386 0.000 0.936 176 K CB -0.148 31.998 32.500 -0.590 0.000 0.722 176 K HN 0.440 nan 8.250 nan 0.000 0.446 177 F N -1.024 118.947 119.950 0.035 0.000 2.667 177 F HA 0.275 4.803 4.527 0.001 0.000 0.288 177 F C 1.300 177.127 175.800 0.045 0.000 1.086 177 F CA 0.288 58.314 58.000 0.043 0.000 1.297 177 F CB 0.705 39.738 39.000 0.054 0.000 1.059 177 F HN 0.225 nan 8.300 nan 0.000 0.624 178 G N 0.977 109.903 108.800 0.211 0.000 2.527 178 G HA2 -0.212 3.748 3.960 0.001 0.000 0.227 178 G HA3 -0.212 3.748 3.960 0.001 0.000 0.227 178 G C 0.600 175.595 174.900 0.158 0.000 1.291 178 G CA -0.072 45.113 45.100 0.141 0.000 0.904 178 G HN 0.012 nan 8.290 nan 0.000 0.577 179 K N 0.501 120.979 120.400 0.129 0.000 2.284 179 K HA 0.188 4.509 4.320 0.001 0.000 0.198 179 K C 1.370 178.049 176.600 0.131 0.000 1.048 179 K CA 1.746 58.117 56.287 0.140 0.000 0.987 179 K CB 0.219 32.787 32.500 0.113 0.000 0.800 179 K HN 1.020 nan 8.250 nan 0.000 0.486 180 T N -1.075 113.540 114.554 0.101 0.000 2.916 180 T HA 0.620 4.970 4.350 0.001 0.000 0.292 180 T C 0.046 174.794 174.700 0.080 0.000 1.055 180 T CA -1.004 61.135 62.100 0.064 0.000 1.009 180 T CB 1.941 70.829 68.868 0.034 0.000 1.118 180 T HN 0.297 nan 8.240 nan 0.000 0.497 181 C N -0.080 119.248 119.300 0.046 0.000 3.306 181 C HA 0.861 5.321 4.460 0.001 0.000 0.335 181 C C -1.808 173.191 174.990 0.016 0.000 1.382 181 C CA -1.040 58.019 59.018 0.067 0.000 1.254 181 C CB 1.201 29.017 27.740 0.127 0.000 1.555 181 C HN 1.031 nan 8.230 nan 0.000 0.463 182 K N 1.161 121.579 120.400 0.030 0.000 2.203 182 K HA 0.493 4.814 4.320 0.001 0.000 0.251 182 K C 0.847 177.440 176.600 -0.011 0.000 0.944 182 K CA -0.647 55.637 56.287 -0.006 0.000 0.829 182 K CB 1.986 34.492 32.500 0.011 0.000 1.125 182 K HN 0.837 nan 8.250 nan 0.000 0.430 183 L N 1.410 122.576 121.223 -0.095 0.000 2.129 183 L HA -0.282 4.058 4.340 0.001 0.000 0.212 183 L C 2.220 179.120 176.870 0.050 0.000 1.087 183 L CA 1.671 56.408 54.840 -0.172 0.000 0.757 183 L CB -0.472 41.327 42.059 -0.434 0.000 0.896 183 L HN 0.795 nan 8.230 nan 0.000 0.434 184 A N -0.133 122.716 122.820 0.049 0.000 1.908 184 A HA -0.244 4.077 4.320 0.001 0.000 0.218 184 A C 1.825 179.482 177.584 0.121 0.000 1.181 184 A CA 1.978 54.069 52.037 0.091 0.000 0.627 184 A CB -0.508 18.526 19.000 0.056 0.000 0.818 184 A HN 0.407 nan 8.150 nan 0.000 0.445 185 D N -0.303 120.172 120.400 0.124 0.000 2.384 185 D HA -0.042 4.598 4.640 0.001 0.000 0.222 185 D C 1.237 177.685 176.300 0.247 0.000 0.976 185 D CA 0.800 54.902 54.000 0.170 0.000 0.915 185 D CB -0.064 40.854 40.800 0.197 0.000 0.896 185 D HN 0.528 nan 8.370 nan 0.000 0.523 186 L N 0.271 121.640 121.223 0.244 0.000 2.766 186 L HA 0.218 4.558 4.340 0.001 0.000 0.242 186 L C 2.247 179.241 176.870 0.207 0.000 1.136 186 L CA -0.240 54.758 54.840 0.265 0.000 0.933 186 L CB 0.114 42.346 42.059 0.289 0.000 1.241 186 L HN -0.104 nan 8.230 nan 0.000 0.522 187 R N 1.639 122.246 120.500 0.179 0.000 2.159 187 R HA -0.113 4.228 4.340 0.001 0.000 0.237 187 R C 1.713 178.037 176.300 0.040 0.000 1.131 187 R CA 1.585 57.740 56.100 0.092 0.000 0.982 187 R CB -0.266 30.087 30.300 0.089 0.000 0.868 187 R HN 0.250 nan 8.270 nan 0.000 0.453 188 A N 1.225 124.089 122.820 0.072 0.000 2.238 188 A HA 0.258 4.578 4.320 0.001 0.000 0.210 188 A C 0.619 178.243 177.584 0.066 0.000 1.179 188 A CA -0.236 51.834 52.037 0.055 0.000 0.827 188 A CB 0.473 19.509 19.000 0.060 0.000 0.856 188 A HN 0.104 nan 8.150 nan 0.000 0.488 189 V N 2.461 122.432 119.914 0.094 0.000 2.508 189 V HA 0.074 4.195 4.120 0.001 0.000 0.281 189 V C -0.037 176.062 176.094 0.008 0.000 1.041 189 V CA -0.427 61.926 62.300 0.087 0.000 1.016 189 V CB 0.789 32.674 31.823 0.103 0.000 0.984 189 V HN 0.415 nan 8.190 nan 0.000 0.478 190 E N 5.596 125.802 120.200 0.010 0.000 2.180 190 E HA 0.343 4.693 4.350 0.001 0.000 0.283 190 E C -0.769 175.818 176.600 -0.022 0.000 1.061 190 E CA -0.189 56.200 56.400 -0.019 0.000 0.861 190 E CB 1.419 31.115 29.700 -0.007 0.000 1.056 190 E HN 0.492 nan 8.360 nan 0.000 0.407 191 L N 2.283 123.476 121.223 -0.048 0.000 2.309 191 L HA 0.305 4.645 4.340 0.001 0.000 0.282 191 L C 0.349 177.213 176.870 -0.011 0.000 1.036 191 L CA -0.528 54.293 54.840 -0.031 0.000 0.806 191 L CB 1.541 43.561 42.059 -0.065 0.000 1.220 191 L HN 0.306 nan 8.230 nan 0.000 0.429 192 T N 4.414 118.986 114.554 0.029 0.000 2.770 192 T HA 0.539 4.889 4.350 0.001 0.000 0.297 192 T C 0.106 174.878 174.700 0.121 0.000 0.997 192 T CA -0.320 61.816 62.100 0.061 0.000 0.949 192 T CB 0.484 69.391 68.868 0.065 0.000 0.941 192 T HN 0.271 nan 8.240 nan 0.000 0.457 193 L N 3.365 124.637 121.223 0.082 0.000 2.492 193 L HA 0.864 5.204 4.340 0.001 0.000 0.263 193 L C -0.477 176.511 176.870 0.196 0.000 1.062 193 L CA -1.198 53.668 54.840 0.043 0.000 0.817 193 L CB 1.053 43.035 42.059 -0.128 0.000 1.441 193 L HN 0.682 nan 8.230 nan 0.000 0.493 194 F N -2.000 118.026 119.950 0.126 0.000 2.770 194 F HA 0.665 5.192 4.527 0.000 0.000 0.313 194 F C -3.077 172.864 175.800 0.235 0.000 1.154 194 F CA -1.992 56.094 58.000 0.143 0.000 0.923 194 F CB 0.351 39.420 39.000 0.114 0.000 1.301 194 F HN 0.092 nan 8.300 nan 0.000 0.449 195 P HA 0.356 nan 4.420 nan 0.000 0.282 195 P C -1.046 176.385 177.300 0.219 0.000 1.287 195 P CA -0.508 62.801 63.100 0.349 0.000 0.792 195 P CB 1.088 33.022 31.700 0.390 0.000 1.163 196 R N -0.805 119.808 120.500 0.188 0.000 2.490 196 R HA 0.340 4.680 4.340 0.001 0.000 0.280 196 R C 0.987 177.360 176.300 0.122 0.000 1.077 196 R CA 0.431 56.605 56.100 0.124 0.000 1.065 196 R CB -0.351 30.008 30.300 0.100 0.000 1.003 196 R HN 0.852 nan 8.270 nan 0.000 0.470 197 G N 1.917 110.763 108.800 0.076 0.000 2.416 197 G HA2 -0.279 3.681 3.960 0.001 0.000 0.301 197 G HA3 -0.279 3.681 3.960 0.001 0.000 0.301 197 G C 0.565 175.500 174.900 0.058 0.000 0.985 197 G CA 0.572 45.705 45.100 0.055 0.000 0.934 197 G HN 0.824 nan 8.290 nan 0.000 0.513 198 G N -0.517 108.335 108.800 0.087 0.000 3.782 198 G HA2 0.430 4.390 3.960 0.001 0.000 0.288 198 G HA3 0.430 4.390 3.960 0.001 0.000 0.288 198 G C 0.649 175.558 174.900 0.015 0.000 1.300 198 G CA -0.644 44.489 45.100 0.056 0.000 1.261 198 G HN 0.563 nan 8.290 nan 0.000 0.591 199 R N 1.591 122.090 120.500 -0.001 0.000 2.340 199 R HA 0.313 4.653 4.340 0.001 0.000 0.300 199 R C -2.006 174.275 176.300 -0.033 0.000 1.069 199 R CA -1.042 55.045 56.100 -0.021 0.000 0.984 199 R CB 0.715 31.002 30.300 -0.022 0.000 1.003 199 R HN 0.183 nan 8.270 nan 0.000 0.459 200 P HA 0.104 nan 4.420 nan 0.000 0.286 200 P C -0.788 176.437 177.300 -0.126 0.000 1.269 200 P CA -0.437 62.593 63.100 -0.117 0.000 0.787 200 P CB 1.532 33.124 31.700 -0.181 0.000 0.920 201 S N 1.579 117.222 115.700 -0.095 0.000 2.786 201 S HA 0.344 4.815 4.470 0.001 0.000 0.307 201 S C 0.893 175.498 174.600 0.008 0.000 1.121 201 S CA -0.661 57.559 58.200 0.033 0.000 0.975 201 S CB 0.423 63.690 63.200 0.112 0.000 1.220 201 S HN 0.312 nan 8.310 nan 0.000 0.550 202 F N 1.593 121.562 119.950 0.033 0.000 2.154 202 F HA -0.038 4.489 4.527 0.000 0.000 0.301 202 F C 2.402 178.118 175.800 -0.139 0.000 1.087 202 F CA 1.688 59.684 58.000 -0.008 0.000 1.274 202 F CB -1.066 37.912 39.000 -0.036 0.000 1.009 202 F HN 0.714 nan 8.300 nan 0.000 0.485 203 A N -0.256 122.364 122.820 -0.334 0.000 1.972 203 A HA -0.187 4.133 4.320 0.001 0.000 0.219 203 A C 2.094 179.491 177.584 -0.312 0.000 1.169 203 A CA 1.890 53.689 52.037 -0.398 0.000 0.635 203 A CB -0.914 17.970 19.000 -0.195 0.000 0.810 203 A HN 0.474 nan 8.150 nan 0.000 0.446 204 D N -0.878 119.377 120.400 -0.242 0.000 2.149 204 D HA -0.121 4.520 4.640 0.001 0.000 0.201 204 D C 1.930 178.085 176.300 -0.242 0.000 0.972 204 D CA 1.543 55.417 54.000 -0.210 0.000 0.835 204 D CB -0.085 40.597 40.800 -0.196 0.000 0.966 204 D HN 0.582 nan 8.370 nan 0.000 0.476 205 E N 0.941 120.948 120.200 -0.321 0.000 2.077 205 E HA -0.119 4.232 4.350 0.001 0.000 0.193 205 E C 2.064 178.539 176.600 -0.209 0.000 0.989 205 E CA 0.689 56.938 56.400 -0.253 0.000 0.800 205 E CB -0.204 29.411 29.700 -0.142 0.000 0.746 205 E HN -0.024 nan 8.360 nan 0.000 0.452 206 V N 0.665 120.366 119.914 -0.354 0.000 2.261 206 V HA -0.236 3.884 4.120 0.001 0.000 0.246 206 V C 2.435 178.540 176.094 0.017 0.000 1.047 206 V CA 1.901 64.051 62.300 -0.250 0.000 1.015 206 V CB -0.430 31.138 31.823 -0.426 0.000 0.642 206 V HN 0.336 nan 8.190 nan 0.000 0.446 207 I N 0.539 121.085 120.570 -0.040 0.000 2.208 207 I HA -0.195 3.976 4.170 0.001 0.000 0.245 207 I C 2.547 178.701 176.117 0.062 0.000 1.097 207 I CA 1.716 63.033 61.300 0.028 0.000 1.363 207 I CB -0.868 37.090 38.000 -0.069 0.000 1.051 207 I HN 0.434 nan 8.210 nan 0.000 0.413 208 G N 0.804 109.597 108.800 -0.011 0.000 2.422 208 G HA2 -0.195 3.765 3.960 0.001 0.000 0.218 208 G HA3 -0.195 3.765 3.960 0.001 0.000 0.218 208 G C 1.713 176.641 174.900 0.046 0.000 1.146 208 G CA 0.444 45.547 45.100 0.005 0.000 0.769 208 G HN 0.264 nan 8.290 nan 0.000 0.547 209 L N -0.883 120.342 121.223 0.003 0.000 2.056 209 L HA 0.056 4.396 4.340 0.001 0.000 0.207 209 L C 2.670 179.519 176.870 -0.035 0.000 1.078 209 L CA 0.673 55.481 54.840 -0.052 0.000 0.749 209 L CB -0.349 41.614 42.059 -0.160 0.000 0.901 209 L HN 0.161 nan 8.230 nan 0.000 0.433 210 F N 0.399 120.339 119.950 -0.016 0.000 2.069 210 F HA -0.270 4.258 4.527 0.001 0.000 0.298 210 F C 2.557 178.366 175.800 0.014 0.000 1.113 210 F CA 1.565 59.562 58.000 -0.005 0.000 1.214 210 F CB -0.292 38.690 39.000 -0.030 0.000 0.978 210 F HN -0.097 nan 8.300 nan 0.000 0.474 211 K N -0.935 119.592 120.400 0.212 0.000 2.063 211 K HA -0.267 4.053 4.320 0.001 0.000 0.208 211 K C 1.897 178.552 176.600 0.091 0.000 1.048 211 K CA 1.849 58.205 56.287 0.115 0.000 0.928 211 K CB -0.545 31.996 32.500 0.069 0.000 0.713 211 K HN 0.299 nan 8.250 nan 0.000 0.442 212 H N 0.332 119.413 119.070 0.019 0.000 2.357 212 H HA -0.123 4.433 4.556 0.001 0.000 0.296 212 H C 1.363 176.690 175.328 -0.002 0.000 1.108 212 H CA 1.893 57.941 56.048 -0.000 0.000 1.273 212 H CB 0.018 29.771 29.762 -0.016 0.000 1.367 212 H HN 0.253 nan 8.280 nan 0.000 0.498 213 A N -0.654 122.239 122.820 0.123 0.000 2.276 213 A HA 0.317 4.638 4.320 0.001 0.000 0.212 213 A C 1.751 179.360 177.584 0.042 0.000 1.230 213 A CA 0.726 52.800 52.037 0.063 0.000 0.844 213 A CB -0.906 18.117 19.000 0.039 0.000 0.860 213 A HN 0.781 nan 8.150 nan 0.000 0.486 214 G N -0.921 107.898 108.800 0.032 0.000 2.153 214 G HA2 -0.240 3.720 3.960 0.001 0.000 0.252 214 G HA3 -0.240 3.720 3.960 0.001 0.000 0.252 214 G C -0.038 174.895 174.900 0.055 0.000 0.994 214 G CA 0.556 45.671 45.100 0.025 0.000 0.698 214 G HN 0.529 nan 8.290 nan 0.000 0.521 215 I N 0.503 121.137 120.570 0.106 0.000 2.433 215 I HA 0.385 4.555 4.170 0.001 0.000 0.292 215 I C -0.336 175.836 176.117 0.091 0.000 1.001 215 I CA -0.996 60.379 61.300 0.126 0.000 1.119 215 I CB 1.683 39.837 38.000 0.258 0.000 1.289 215 I HN -0.121 nan 8.210 nan 0.000 0.438 216 E N 7.443 127.649 120.200 0.009 0.000 2.152 216 E HA 0.286 4.636 4.350 0.001 0.000 0.285 216 E C -2.278 174.223 176.600 -0.165 0.000 1.043 216 E CA -1.846 54.520 56.400 -0.057 0.000 0.839 216 E CB 0.585 30.255 29.700 -0.049 0.000 1.069 216 E HN 0.275 nan 8.360 nan 0.000 0.399 217 P HA 0.241 nan 4.420 nan 0.000 0.279 217 P C -0.321 176.766 177.300 -0.354 0.000 1.239 217 P CA -0.564 62.154 63.100 -0.637 0.000 0.789 217 P CB 0.807 31.815 31.700 -1.153 0.000 0.933 218 R N 2.688 123.018 120.500 -0.283 0.000 2.402 218 R HA 0.170 4.510 4.340 0.001 0.000 0.331 218 R C -0.025 176.175 176.300 -0.166 0.000 1.040 218 R CA 0.114 56.113 56.100 -0.168 0.000 0.980 218 R CB -0.495 29.741 30.300 -0.106 0.000 0.967 218 R HN 0.388 nan 8.270 nan 0.000 0.440 219 I N 3.787 124.275 120.570 -0.136 0.000 2.306 219 I HA 0.149 4.320 4.170 0.001 0.000 0.288 219 I C 1.230 177.309 176.117 -0.063 0.000 1.036 219 I CA -0.305 60.932 61.300 -0.105 0.000 1.221 219 I CB 0.607 38.544 38.000 -0.104 0.000 1.385 219 I HN 0.688 nan 8.210 nan 0.000 0.472 220 A N 8.064 130.857 122.820 -0.045 0.000 1.902 220 A HA -0.027 4.294 4.320 0.001 0.000 0.217 220 A C 0.957 178.532 177.584 -0.016 0.000 1.181 220 A CA 1.199 53.221 52.037 -0.025 0.000 0.623 220 A CB 0.157 19.148 19.000 -0.015 0.000 0.818 220 A HN 0.798 nan 8.150 nan 0.000 0.443 221 R N -3.949 116.545 120.500 -0.011 0.000 2.829 221 R HA 0.503 4.844 4.340 0.001 0.000 0.283 221 R C -2.153 174.158 176.300 0.019 0.000 1.013 221 R CA -0.813 55.289 56.100 0.004 0.000 0.848 221 R CB 0.746 31.053 30.300 0.012 0.000 1.291 221 R HN 0.022 nan 8.270 nan 0.000 0.496 222 V N 1.523 121.456 119.914 0.031 0.000 2.443 222 V HA 0.541 4.661 4.120 0.001 0.000 0.293 222 V C 0.323 176.467 176.094 0.083 0.000 1.021 222 V CA -0.670 61.665 62.300 0.059 0.000 0.848 222 V CB 1.244 33.090 31.823 0.039 0.000 0.998 222 V HN 0.655 nan 8.190 nan 0.000 0.424 223 V N 1.864 121.854 119.914 0.127 0.000 3.193 223 V HA 0.578 4.698 4.120 0.001 0.000 0.320 223 V C 1.239 177.419 176.094 0.144 0.000 1.112 223 V CA -0.255 62.110 62.300 0.109 0.000 1.026 223 V CB 1.692 33.564 31.823 0.081 0.000 1.128 223 V HN 0.881 nan 8.190 nan 0.000 0.452 224 E N 0.873 121.131 120.200 0.098 0.000 2.150 224 E HA -0.009 4.341 4.350 0.001 0.000 0.193 224 E C 0.025 176.703 176.600 0.131 0.000 0.985 224 E CA 1.270 57.737 56.400 0.111 0.000 0.814 224 E CB -0.257 29.487 29.700 0.073 0.000 0.752 224 E HN 0.994 nan 8.360 nan 0.000 0.466 225 D N -1.981 118.454 120.400 0.059 0.000 2.738 225 D HA 0.267 4.907 4.640 0.001 0.000 0.308 225 D C 0.269 176.299 176.300 -0.451 0.000 1.311 225 D CA -0.148 53.815 54.000 -0.062 0.000 0.799 225 D CB 0.387 41.139 40.800 -0.081 0.000 1.332 225 D HN -0.066 nan 8.370 nan 0.000 0.441 226 A N -0.342 121.956 122.820 -0.870 0.000 1.972 226 A HA -0.074 4.247 4.320 0.001 0.000 0.219 226 A C 1.876 179.111 177.584 -0.581 0.000 1.169 226 A CA 2.371 53.661 52.037 -1.245 0.000 0.635 226 A CB -1.219 17.153 19.000 -1.046 0.000 0.810 226 A HN 0.609 nan 8.150 nan 0.000 0.446 227 T N 0.268 114.649 114.554 -0.289 0.000 2.684 227 T HA -0.108 4.242 4.350 0.001 0.000 0.267 227 T C 2.223 176.824 174.700 -0.165 0.000 1.036 227 T CA 1.844 63.855 62.100 -0.150 0.000 1.148 227 T CB -0.430 68.407 68.868 -0.051 0.000 0.863 227 T HN 0.625 nan 8.240 nan 0.000 0.436 228 A N 1.315 124.044 122.820 -0.151 0.000 1.855 228 A HA 0.234 4.555 4.320 0.001 0.000 0.215 228 A C 2.666 180.188 177.584 -0.103 0.000 1.191 228 A CA 1.776 53.757 52.037 -0.094 0.000 0.613 228 A CB -1.196 17.775 19.000 -0.048 0.000 0.829 228 A HN 0.499 nan 8.150 nan 0.000 0.442 229 A N -0.277 122.462 122.820 -0.134 0.000 1.940 229 A HA -0.080 4.241 4.320 0.001 0.000 0.219 229 A C 2.178 179.680 177.584 -0.137 0.000 1.176 229 A CA 1.571 53.559 52.037 -0.081 0.000 0.631 229 A CB -0.624 18.385 19.000 0.016 0.000 0.814 229 A HN 0.480 nan 8.150 nan 0.000 0.446 230 L N -1.066 120.004 121.223 -0.255 0.000 2.093 230 L HA -0.176 4.164 4.340 0.001 0.000 0.208 230 L C 3.098 179.831 176.870 -0.228 0.000 1.085 230 L CA 1.005 55.642 54.840 -0.337 0.000 0.755 230 L CB -0.526 41.173 42.059 -0.600 0.000 0.904 230 L HN 0.456 nan 8.230 nan 0.000 0.435 231 A N 0.067 122.794 122.820 -0.155 0.000 1.898 231 A HA -0.133 4.187 4.320 0.001 0.000 0.216 231 A C 2.220 179.775 177.584 -0.049 0.000 1.181 231 A CA 1.237 53.229 52.037 -0.074 0.000 0.620 231 A CB -0.591 18.381 19.000 -0.047 0.000 0.819 231 A HN 0.344 nan 8.150 nan 0.000 0.442 232 L N -0.733 120.459 121.223 -0.052 0.000 2.093 232 L HA -0.135 4.205 4.340 0.001 0.000 0.208 232 L C 2.732 179.582 176.870 -0.032 0.000 1.085 232 L CA 1.629 56.448 54.840 -0.035 0.000 0.755 232 L CB -0.803 41.240 42.059 -0.026 0.000 0.904 232 L HN 0.334 nan 8.230 nan 0.000 0.435 233 T N -0.382 114.146 114.554 -0.043 0.000 2.746 233 T HA -0.255 4.096 4.350 0.001 0.000 0.267 233 T C 1.845 176.564 174.700 0.033 0.000 1.039 233 T CA 1.483 63.568 62.100 -0.026 0.000 1.142 233 T CB -0.165 68.657 68.868 -0.077 0.000 0.866 233 T HN 0.279 nan 8.240 nan 0.000 0.444 234 M N 1.023 120.628 119.600 0.007 0.000 2.213 234 M HA 0.006 4.486 4.480 0.001 0.000 0.263 234 M C 1.998 178.374 176.300 0.128 0.000 1.062 234 M CA 1.369 56.717 55.300 0.080 0.000 1.105 234 M CB -0.170 32.453 32.600 0.039 0.000 1.385 234 M HN 0.247 nan 8.290 nan 0.000 0.417 235 A N -0.366 122.471 122.820 0.029 0.000 2.278 235 A HA 0.362 4.682 4.320 0.001 0.000 0.212 235 A C 1.420 178.918 177.584 -0.143 0.000 1.213 235 A CA 0.613 52.635 52.037 -0.025 0.000 0.840 235 A CB -1.018 17.966 19.000 -0.026 0.000 0.866 235 A HN 0.791 nan 8.150 nan 0.000 0.489 236 G N -2.133 106.528 108.800 -0.232 0.000 2.153 236 G HA2 -0.060 3.900 3.960 0.001 0.000 0.252 236 G HA3 -0.060 3.900 3.960 0.001 0.000 0.252 236 G C 0.727 175.517 174.900 -0.184 0.000 0.994 236 G CA 0.425 45.264 45.100 -0.436 0.000 0.698 236 G HN 1.587 nan 8.290 nan 0.000 0.521 237 A N -1.124 121.639 122.820 -0.096 0.000 2.535 237 A HA 0.914 5.235 4.320 0.001 0.000 0.273 237 A C 0.848 178.416 177.584 -0.028 0.000 1.267 237 A CA 1.101 53.105 52.037 -0.056 0.000 0.940 237 A CB 0.151 19.124 19.000 -0.045 0.000 1.101 237 A HN 2.280 nan 8.150 nan 0.000 0.521 238 A N -1.078 121.731 122.820 -0.018 0.000 2.590 238 A HA 0.660 4.980 4.320 0.001 0.000 0.296 238 A C -0.508 177.081 177.584 0.007 0.000 1.050 238 A CA -0.255 51.781 52.037 -0.001 0.000 0.697 238 A CB 0.359 19.358 19.000 -0.002 0.000 1.277 238 A HN 0.288 nan 8.150 nan 0.000 0.411 239 S N -0.018 115.688 115.700 0.010 0.000 2.664 239 S HA 0.960 5.431 4.470 0.001 0.000 0.304 239 S C 0.038 174.654 174.600 0.027 0.000 1.099 239 S CA -0.306 57.894 58.200 0.000 0.000 1.003 239 S CB 1.739 64.926 63.200 -0.021 0.000 1.092 239 S HN 1.337 nan 8.310 nan 0.000 0.525 240 S N -0.266 115.462 115.700 0.046 0.000 2.672 240 S HA 0.715 5.186 4.470 0.001 0.000 0.271 240 S C -2.060 172.636 174.600 0.160 0.000 1.171 240 S CA -0.607 57.668 58.200 0.125 0.000 0.817 240 S CB 0.582 63.898 63.200 0.192 0.000 1.150 240 S HN 0.545 nan 8.310 nan 0.000 0.478 241 I N 2.015 122.727 120.570 0.236 0.000 2.499 241 I HA 0.599 4.770 4.170 0.001 0.000 0.288 241 I C -0.730 175.645 176.117 0.431 0.000 1.048 241 I CA -0.659 60.801 61.300 0.267 0.000 1.062 241 I CB 1.921 40.029 38.000 0.179 0.000 1.238 241 I HN 0.508 nan 8.210 nan 0.000 0.426 242 V N 3.601 123.743 119.914 0.380 0.000 3.040 242 V HA 0.752 4.872 4.120 0.001 0.000 0.312 242 V C -2.894 173.322 176.094 0.203 0.000 1.115 242 V CA -2.586 59.892 62.300 0.296 0.000 0.998 242 V CB 1.765 33.669 31.823 0.136 0.000 1.042 242 V HN 0.383 nan 8.190 nan 0.000 0.433 243 P HA 0.340 nan 4.420 nan 0.000 0.273 243 P C 0.694 178.009 177.300 0.024 0.000 1.250 243 P CA 0.401 63.522 63.100 0.035 0.000 0.793 243 P CB 0.716 32.353 31.700 -0.105 0.000 1.011 244 A N 0.502 123.378 122.820 0.093 0.000 2.019 244 A HA -0.142 4.178 4.320 0.001 0.000 0.219 244 A C 2.168 179.658 177.584 -0.156 0.000 1.164 244 A CA 1.843 53.892 52.037 0.021 0.000 0.644 244 A CB -1.676 17.435 19.000 0.185 0.000 0.805 244 A HN 0.489 nan 8.150 nan 0.000 0.449 245 S N -0.524 115.122 115.700 -0.089 0.000 2.383 245 S HA -0.139 4.332 4.470 0.001 0.000 0.229 245 S C 1.822 176.371 174.600 -0.084 0.000 1.030 245 S CA 1.577 59.740 58.200 -0.061 0.000 1.002 245 S CB -0.306 62.895 63.200 0.002 0.000 0.829 245 S HN 0.394 nan 8.310 nan 0.000 0.467 246 V N 1.250 121.037 119.914 -0.213 0.000 2.488 246 V HA 0.006 4.126 4.120 0.001 0.000 0.246 246 V C 2.448 178.376 176.094 -0.278 0.000 1.046 246 V CA 1.410 63.582 62.300 -0.213 0.000 1.053 246 V CB -0.911 30.675 31.823 -0.395 0.000 0.679 246 V HN 0.510 nan 8.190 nan 0.000 0.458 247 A N 0.021 122.394 122.820 -0.745 0.000 2.119 247 A HA 0.138 4.459 4.320 0.001 0.000 0.217 247 A C 2.249 179.362 177.584 -0.784 0.000 1.153 247 A CA 1.302 52.461 52.037 -1.464 0.000 0.692 247 A CB -0.439 17.387 19.000 -1.956 0.000 0.799 247 A HN 0.521 nan 8.150 nan 0.000 0.458 248 A N -0.596 121.962 122.820 -0.437 0.000 2.168 248 A HA 0.277 4.597 4.320 0.001 0.000 0.215 248 A C 0.841 178.332 177.584 -0.155 0.000 1.152 248 A CA 0.362 52.257 52.037 -0.237 0.000 0.716 248 A CB -0.372 18.536 19.000 -0.152 0.000 0.794 248 A HN 0.459 nan 8.150 nan 0.000 0.465 249 I N -0.955 119.537 120.570 -0.131 0.000 2.488 249 I HA 0.308 4.479 4.170 0.001 0.000 0.299 249 I C 0.674 176.703 176.117 -0.145 0.000 0.984 249 I CA -0.544 60.629 61.300 -0.212 0.000 1.250 249 I CB 1.479 39.259 38.000 -0.366 0.000 1.389 249 I HN 0.032 nan 8.210 nan 0.000 0.488 250 R N 4.742 125.098 120.500 -0.240 0.000 2.247 250 R HA 0.306 4.647 4.340 0.001 0.000 0.329 250 R C -1.853 174.376 176.300 -0.118 0.000 1.014 250 R CA -0.585 55.492 56.100 -0.038 0.000 0.907 250 R CB 0.628 30.911 30.300 -0.028 0.000 1.146 250 R HN 0.469 nan 8.270 nan 0.000 0.499 251 W N 5.472 126.838 121.300 0.112 0.000 2.417 251 W HA 0.375 5.035 4.660 0.001 0.000 0.317 251 W C -1.933 174.588 176.519 0.003 0.000 1.121 251 W CA -2.552 54.829 57.345 0.060 0.000 1.208 251 W CB 0.531 30.038 29.460 0.078 0.000 1.253 251 W HN 0.410 nan 8.180 nan 0.000 0.533 252 P HA 0.049 nan 4.420 nan 0.000 0.271 252 P C -0.064 177.277 177.300 0.068 0.000 1.216 252 P CA 0.477 63.633 63.100 0.094 0.000 0.771 252 P CB 0.707 32.453 31.700 0.076 0.000 0.864 253 D N -0.252 120.135 120.400 -0.022 0.000 3.028 253 D HA -0.151 4.489 4.640 0.001 0.000 0.207 253 D C -0.098 176.083 176.300 -0.198 0.000 1.100 253 D CA 1.115 55.032 54.000 -0.139 0.000 0.995 253 D CB -1.599 39.182 40.800 -0.031 0.000 1.108 253 D HN 0.382 nan 8.370 nan 0.000 0.421 254 I N 0.033 120.518 120.570 -0.140 0.000 2.474 254 I HA 0.665 4.835 4.170 0.001 0.000 0.294 254 I C 0.273 176.147 176.117 -0.405 0.000 1.005 254 I CA -0.961 60.162 61.300 -0.295 0.000 1.113 254 I CB 2.025 39.813 38.000 -0.354 0.000 1.289 254 I HN -0.007 nan 8.210 nan 0.000 0.436 255 A N 5.813 128.343 122.820 -0.485 0.000 2.380 255 A HA 0.915 5.235 4.320 0.001 0.000 0.315 255 A C -1.378 175.894 177.584 -0.521 0.000 1.101 255 A CA -0.408 51.402 52.037 -0.378 0.000 0.771 255 A CB 1.203 20.122 19.000 -0.134 0.000 1.287 255 A HN 0.577 nan 8.150 nan 0.000 0.436 256 F N 0.259 120.257 119.950 0.080 0.000 2.556 256 F HA 0.645 5.172 4.527 0.001 0.000 0.314 256 F C 0.433 176.346 175.800 0.188 0.000 1.106 256 F CA -0.444 57.629 58.000 0.121 0.000 0.911 256 F CB 2.600 41.646 39.000 0.076 0.000 1.190 256 F HN 0.706 nan 8.300 nan 0.000 0.448 257 A N 3.486 126.539 122.820 0.388 0.000 2.311 257 A HA 0.611 4.931 4.320 0.001 0.000 0.306 257 A C -0.417 177.287 177.584 0.199 0.000 1.189 257 A CA -0.831 51.369 52.037 0.271 0.000 0.791 257 A CB 0.888 19.988 19.000 0.167 0.000 1.172 257 A HN 0.877 nan 8.150 nan 0.000 0.481 258 R N 2.700 123.237 120.500 0.062 0.000 2.502 258 R HA 0.198 4.538 4.340 0.001 0.000 0.292 258 R C -0.718 175.428 176.300 -0.257 0.000 0.998 258 R CA 0.195 56.007 56.100 -0.480 0.000 1.056 258 R CB -0.016 30.026 30.300 -0.431 0.000 0.939 258 R HN 0.652 nan 8.270 nan 0.000 0.411 259 I N 6.405 126.792 120.570 -0.305 0.000 2.379 259 I HA 0.062 4.232 4.170 0.001 0.000 0.290 259 I C 0.240 176.254 176.117 -0.171 0.000 1.063 259 I CA -0.556 60.637 61.300 -0.179 0.000 1.351 259 I CB 1.147 39.048 38.000 -0.164 0.000 1.410 259 I HN 0.403 nan 8.210 nan 0.000 0.505 260 V N 3.620 123.468 119.914 -0.111 0.000 2.465 260 V HA 0.995 5.115 4.120 0.001 0.000 0.279 260 V C 0.233 176.283 176.094 -0.075 0.000 1.045 260 V CA -0.226 62.022 62.300 -0.086 0.000 0.938 260 V CB 0.918 32.710 31.823 -0.052 0.000 0.986 260 V HN 0.986 nan 8.190 nan 0.000 0.467 261 G N 2.706 111.465 108.800 -0.069 0.000 2.046 261 G HA2 0.310 4.271 3.960 0.001 0.000 0.245 261 G HA3 0.310 4.271 3.960 0.001 0.000 0.245 261 G C 0.086 174.950 174.900 -0.061 0.000 1.723 261 G CA 0.095 45.158 45.100 -0.062 0.000 0.909 261 G HN 1.463 nan 8.290 nan 0.000 0.737 262 T N -0.051 114.476 114.554 -0.044 0.000 2.778 262 T HA -0.170 4.180 4.350 0.001 0.000 0.269 262 T C 1.971 176.640 174.700 -0.052 0.000 1.050 262 T CA 1.468 63.545 62.100 -0.039 0.000 1.137 262 T CB 0.027 68.881 68.868 -0.024 0.000 0.860 262 T HN 0.451 nan 8.240 nan 0.000 0.468 263 R N 0.815 121.270 120.500 -0.075 0.000 2.193 263 R HA 0.103 4.444 4.340 0.001 0.000 0.213 263 R C 0.144 176.384 176.300 -0.101 0.000 1.055 263 R CA 0.273 56.304 56.100 -0.115 0.000 0.995 263 R CB -0.218 29.954 30.300 -0.213 0.000 0.893 263 R HN 0.334 nan 8.270 nan 0.000 0.459 264 V N 3.490 123.349 119.914 -0.092 0.000 2.341 264 V HA 0.137 4.257 4.120 0.001 0.000 0.248 264 V C -0.041 176.026 176.094 -0.044 0.000 1.107 264 V CA 0.575 62.823 62.300 -0.087 0.000 1.069 264 V CB 0.014 31.766 31.823 -0.118 0.000 1.177 264 V HN 0.123 nan 8.190 nan 0.000 0.492 265 K N 2.947 123.345 120.400 -0.003 0.000 2.583 265 K HA 0.583 4.904 4.320 0.001 0.000 0.260 265 K C -1.370 175.271 176.600 0.068 0.000 0.931 265 K CA -0.646 55.654 56.287 0.022 0.000 0.849 265 K CB 2.916 35.415 32.500 -0.001 0.000 1.347 265 K HN 0.379 nan 8.250 nan 0.000 0.425 266 V N -0.858 119.101 119.914 0.074 0.000 2.823 266 V HA 0.702 4.823 4.120 0.001 0.000 0.312 266 V C -2.750 173.314 176.094 -0.051 0.000 1.072 266 V CA -2.520 59.813 62.300 0.055 0.000 0.937 266 V CB 1.793 33.720 31.823 0.173 0.000 1.013 266 V HN 0.557 nan 8.190 nan 0.000 0.430 267 P HA 0.516 nan 4.420 nan 0.000 0.282 267 P C -0.787 176.457 177.300 -0.093 0.000 1.249 267 P CA -0.275 62.733 63.100 -0.152 0.000 0.806 267 P CB 1.119 32.675 31.700 -0.241 0.000 0.984 268 I N 1.054 121.631 120.570 0.011 0.000 2.396 268 I HA 0.345 4.515 4.170 0.001 0.000 0.292 268 I C 0.659 176.856 176.117 0.133 0.000 0.999 268 I CA 0.379 61.745 61.300 0.111 0.000 1.310 268 I CB 0.599 38.705 38.000 0.176 0.000 1.404 268 I HN 0.187 nan 8.210 nan 0.000 0.496 269 S N 3.658 119.481 115.700 0.204 0.000 2.599 269 S HA 0.767 5.237 4.470 0.001 0.000 0.287 269 S C -0.721 174.002 174.600 0.205 0.000 1.105 269 S CA -0.790 57.534 58.200 0.206 0.000 0.899 269 S CB 1.871 65.216 63.200 0.240 0.000 1.100 269 S HN 0.879 nan 8.310 nan 0.000 0.482 270 C N 0.736 120.007 119.300 -0.050 0.000 2.848 270 C HA 0.957 5.417 4.460 0.001 0.000 0.317 270 C C -0.711 174.024 174.990 -0.424 0.000 1.260 270 C CA -1.135 57.652 59.018 -0.385 0.000 1.656 270 C CB -0.298 26.927 27.740 -0.859 0.000 2.174 270 C HN 0.982 nan 8.230 nan 0.000 0.479 271 I N -0.272 119.947 120.570 -0.584 0.000 2.730 271 I HA 0.989 5.160 4.170 0.001 0.000 0.298 271 I C -1.007 174.923 176.117 -0.312 0.000 1.089 271 I CA -0.766 60.138 61.300 -0.660 0.000 1.041 271 I CB 2.003 39.410 38.000 -0.988 0.000 1.235 271 I HN 0.843 nan 8.210 nan 0.000 0.423 272 F N 0.977 120.792 119.950 -0.225 0.000 2.619 272 F HA 0.610 5.137 4.527 0.001 0.000 0.308 272 F C -0.354 175.381 175.800 -0.108 0.000 1.097 272 F CA -1.210 56.710 58.000 -0.133 0.000 0.953 272 F CB 1.170 40.135 39.000 -0.059 0.000 1.287 272 F HN 0.646 nan 8.300 nan 0.000 0.446 273 R N 2.771 123.330 120.500 0.098 0.000 2.502 273 R HA 0.097 4.438 4.340 0.001 0.000 0.292 273 R C 0.997 177.408 176.300 0.185 0.000 0.998 273 R CA 0.217 56.353 56.100 0.060 0.000 1.056 273 R CB 0.806 31.127 30.300 0.034 0.000 0.939 273 R HN 1.026 nan 8.270 nan 0.000 0.411 274 K N 3.029 123.498 120.400 0.115 0.000 2.379 274 K HA -0.039 4.282 4.320 0.001 0.000 0.194 274 K C 0.893 177.553 176.600 0.101 0.000 1.031 274 K CA 0.364 56.745 56.287 0.158 0.000 1.037 274 K CB 0.289 32.851 32.500 0.104 0.000 0.824 274 K HN 0.603 nan 8.250 nan 0.000 0.516 275 E N 1.750 121.992 120.200 0.069 0.000 1.998 275 E HA -0.075 4.275 4.350 0.001 0.000 0.196 275 E C 0.016 176.647 176.600 0.052 0.000 1.003 275 E CA 1.194 57.624 56.400 0.050 0.000 0.829 275 E CB 0.265 29.987 29.700 0.036 0.000 0.777 275 E HN 0.159 nan 8.360 nan 0.000 0.460 276 K N 1.187 121.619 120.400 0.053 0.000 2.682 276 K HA 0.208 4.528 4.320 0.001 0.000 0.189 276 K C -1.283 175.353 176.600 0.060 0.000 1.062 276 K CA -0.103 56.214 56.287 0.049 0.000 0.997 276 K CB 1.393 33.917 32.500 0.040 0.000 1.405 276 K HN 0.087 nan 8.250 nan 0.000 0.588 277 Q N 3.181 123.018 119.800 0.061 0.000 2.286 277 Q HA 0.104 4.444 4.340 0.001 0.000 0.265 277 Q C -1.945 174.087 176.000 0.055 0.000 1.080 277 Q CA -1.750 54.090 55.803 0.062 0.000 0.906 277 Q CB -0.043 28.713 28.738 0.030 0.000 1.227 277 Q HN 0.259 nan 8.270 nan 0.000 0.409 278 P HA -0.047 nan 4.420 nan 0.000 0.269 278 P C -2.176 175.133 177.300 0.014 0.000 1.211 278 P CA -1.039 62.096 63.100 0.057 0.000 0.781 278 P CB 0.094 31.856 31.700 0.103 0.000 0.877 279 P HA -0.127 nan 4.420 nan 0.000 0.215 279 P C 1.772 179.074 177.300 0.003 0.000 1.157 279 P CA 1.043 64.147 63.100 0.007 0.000 0.868 279 P CB -0.169 31.538 31.700 0.010 0.000 0.788 280 I N -1.186 119.365 120.570 -0.031 0.000 2.208 280 I HA -0.244 3.927 4.170 0.001 0.000 0.245 280 I C 2.021 178.108 176.117 -0.050 0.000 1.097 280 I CA 1.281 62.561 61.300 -0.033 0.000 1.363 280 I CB -0.301 37.623 38.000 -0.126 0.000 1.051 280 I HN -0.130 nan 8.210 nan 0.000 0.413 281 L N 1.104 122.250 121.223 -0.128 0.000 2.056 281 L HA -0.086 4.254 4.340 0.001 0.000 0.207 281 L C 2.502 179.341 176.870 -0.051 0.000 1.078 281 L CA 2.165 56.955 54.840 -0.082 0.000 0.749 281 L CB -0.958 41.083 42.059 -0.031 0.000 0.901 281 L HN 0.234 nan 8.230 nan 0.000 0.433 282 A N -0.372 122.424 122.820 -0.040 0.000 1.933 282 A HA -0.238 4.083 4.320 0.001 0.000 0.218 282 A C 2.555 180.133 177.584 -0.011 0.000 1.175 282 A CA 1.766 53.774 52.037 -0.048 0.000 0.628 282 A CB -0.656 18.334 19.000 -0.016 0.000 0.814 282 A HN 0.510 nan 8.150 nan 0.000 0.444 283 R N -1.803 118.733 120.500 0.059 0.000 2.073 283 R HA -0.149 4.192 4.340 0.001 0.000 0.234 283 R C 1.975 178.405 176.300 0.217 0.000 1.134 283 R CA 1.836 58.022 56.100 0.143 0.000 0.952 283 R CB -0.444 29.973 30.300 0.195 0.000 0.850 283 R HN 0.497 nan 8.270 nan 0.000 0.433 284 F N 0.726 120.679 119.950 0.006 0.000 2.171 284 F HA -0.149 4.379 4.527 0.001 0.000 0.300 284 F C 1.868 177.582 175.800 -0.143 0.000 1.090 284 F CA 1.141 59.011 58.000 -0.218 0.000 1.293 284 F CB -0.094 38.571 39.000 -0.559 0.000 1.013 284 F HN -0.187 nan 8.300 nan 0.000 0.486 285 V N 0.402 120.180 119.914 -0.227 0.000 2.379 285 V HA -0.261 3.859 4.120 0.001 0.000 0.245 285 V C 2.420 178.376 176.094 -0.230 0.000 1.044 285 V CA 2.070 64.138 62.300 -0.387 0.000 1.036 285 V CB -0.731 30.733 31.823 -0.598 0.000 0.664 285 V HN 0.402 nan 8.190 nan 0.000 0.453 286 E N -0.044 120.086 120.200 -0.116 0.000 2.160 286 E HA -0.333 4.017 4.350 0.001 0.000 0.195 286 E C 2.095 178.667 176.600 -0.047 0.000 0.991 286 E CA 1.970 58.338 56.400 -0.053 0.000 0.810 286 E CB -0.139 29.559 29.700 -0.003 0.000 0.742 286 E HN 0.832 nan 8.360 nan 0.000 0.466 287 H N 0.192 119.182 119.070 -0.134 0.000 2.299 287 H HA -0.090 4.466 4.556 0.001 0.000 0.302 287 H C 2.133 177.343 175.328 -0.197 0.000 1.078 287 H CA 2.512 58.490 56.048 -0.117 0.000 1.323 287 H CB -0.145 29.605 29.762 -0.021 0.000 1.381 287 H HN 0.122 nan 8.280 nan 0.000 0.498 288 V N -1.156 118.545 119.914 -0.355 0.000 3.217 288 V HA 0.032 4.152 4.120 0.001 0.000 0.264 288 V C 2.306 178.297 176.094 -0.173 0.000 1.135 288 V CA 1.486 63.609 62.300 -0.294 0.000 1.142 288 V CB -0.507 31.143 31.823 -0.289 0.000 0.754 288 V HN 0.234 nan 8.190 nan 0.000 0.484 289 R N 1.488 121.897 120.500 -0.152 0.000 2.062 289 R HA -0.001 4.339 4.340 0.001 0.000 0.229 289 R C 2.577 178.824 176.300 -0.089 0.000 1.128 289 R CA 1.795 57.847 56.100 -0.079 0.000 0.960 289 R CB -0.247 30.021 30.300 -0.054 0.000 0.855 289 R HN 0.734 nan 8.270 nan 0.000 0.432 290 R N -0.745 119.678 120.500 -0.128 0.000 2.323 290 R HA 0.111 4.451 4.340 0.001 0.000 0.198 290 R C 1.657 177.868 176.300 -0.147 0.000 0.988 290 R CA 1.094 57.124 56.100 -0.117 0.000 1.041 290 R CB 0.084 30.323 30.300 -0.101 0.000 0.926 290 R HN -0.020 nan 8.270 nan 0.000 0.476 291 S N 0.438 116.022 115.700 -0.193 0.000 2.421 291 S HA 0.226 4.697 4.470 0.001 0.000 0.224 291 S C 1.152 175.710 174.600 -0.070 0.000 1.035 291 S CA 0.269 58.377 58.200 -0.154 0.000 0.953 291 S CB -0.060 63.022 63.200 -0.196 0.000 0.810 291 S HN 0.568 nan 8.310 nan 0.000 0.497 292 A N 0.000 122.788 122.820 -0.053 0.000 2.254 292 A HA 0.000 4.320 4.320 0.001 0.000 0.244 292 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 292 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 292 A HN 0.000 nan 8.150 nan 0.000 0.486