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 3aex_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRPPLIERYR NLLPVSEKTP VISLLEGSTP LIPLKGPEEA RKKGIRLYAK DATA SEQUENCE YEGLNPTGSF KDRGMTLAVS KAVEGGAQAV ACASTGNTAA SAAAYAARAG DATA SEQUENCE ILAIVVLPAG YVALGKVAQS LVHGARIVQV EGNFDDALRL TQKLTEAFPV DATA SEQUENCE ALVNSVNPHR LEGQKTLAFE VVDELGDAPH YHALPVGNAG NITAHWMGYK DATA SEQUENCE AYHALGKAKR LPRMLGFQAA GAAPLVLGRP VERPETLATA IRIGNPASWQ DATA SEQUENCE GAVRAKEESG GVIEAVTDEE ILFAYRYLAR EEGIFCEPAS AAAMAGVFKL DATA SEQUENCE LREGRLEPES TVVLTLTGHG LKDPATAERV AELPPPVPAR LEAVAAAAGL DATA SEQUENCE L 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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.610 32.600 0.017 0.000 1.302 2 R N 2.383 122.893 120.500 0.018 0.000 2.575 2 R HA 0.459 4.800 4.340 0.000 0.000 0.281 2 R C -2.573 173.739 176.300 0.020 0.000 1.272 2 R CA -1.740 54.374 56.100 0.024 0.000 1.417 2 R CB 0.740 31.059 30.300 0.032 0.000 1.121 2 R HN 0.136 nan 8.270 nan 0.000 0.583 3 P HA 0.206 nan 4.420 nan 0.000 0.273 3 P C -2.664 174.648 177.300 0.020 0.000 1.250 3 P CA -1.486 61.617 63.100 0.005 0.000 0.793 3 P CB 0.268 31.958 31.700 -0.017 0.000 1.011 4 P HA 0.008 nan 4.420 nan 0.000 0.264 4 P C 1.104 178.434 177.300 0.050 0.000 1.193 4 P CA -0.064 63.062 63.100 0.044 0.000 0.763 4 P CB 0.139 31.861 31.700 0.037 0.000 0.810 5 L N 5.481 126.753 121.223 0.082 0.000 2.043 5 L HA -0.207 4.134 4.340 0.000 0.000 0.212 5 L C 1.785 178.730 176.870 0.126 0.000 1.075 5 L CA 2.041 56.954 54.840 0.122 0.000 0.752 5 L CB -0.848 41.293 42.059 0.137 0.000 0.891 5 L HN 0.356 nan 8.230 nan 0.000 0.432 6 I N -0.340 120.283 120.570 0.088 0.000 2.208 6 I HA -0.237 3.933 4.170 0.000 0.000 0.245 6 I C 2.499 178.650 176.117 0.057 0.000 1.097 6 I CA 1.198 62.542 61.300 0.074 0.000 1.363 6 I CB -1.371 36.654 38.000 0.040 0.000 1.051 6 I HN 0.362 nan 8.210 nan 0.000 0.413 7 E N 0.259 120.476 120.200 0.029 0.000 2.028 7 E HA -0.198 4.152 4.350 0.000 0.000 0.191 7 E C 2.239 178.815 176.600 -0.040 0.000 0.988 7 E CA 0.792 57.191 56.400 -0.001 0.000 0.799 7 E CB -0.460 29.236 29.700 -0.008 0.000 0.755 7 E HN 0.423 nan 8.360 nan 0.000 0.447 8 R N -0.063 120.386 120.500 -0.084 0.000 2.094 8 R HA -0.173 4.167 4.340 0.000 0.000 0.239 8 R C 1.028 177.091 176.300 -0.396 0.000 1.137 8 R CA 1.563 57.500 56.100 -0.272 0.000 0.943 8 R CB -0.217 29.865 30.300 -0.364 0.000 0.850 8 R HN 0.202 nan 8.270 nan 0.000 0.433 9 Y N -0.144 120.189 120.300 0.056 0.000 2.756 9 Y HA 0.250 4.801 4.550 0.001 0.000 0.300 9 Y C 1.567 177.493 175.900 0.044 0.000 1.113 9 Y CA -0.481 57.657 58.100 0.062 0.000 1.291 9 Y CB 0.284 38.829 38.460 0.141 0.000 1.175 9 Y HN 0.087 nan 8.280 nan 0.000 0.534 10 R N 0.778 121.338 120.500 0.099 0.000 2.117 10 R HA -0.210 4.130 4.340 0.000 0.000 0.243 10 R C 1.382 177.723 176.300 0.068 0.000 1.143 10 R CA 1.875 58.017 56.100 0.070 0.000 0.968 10 R CB 0.035 30.352 30.300 0.027 0.000 0.863 10 R HN 0.384 nan 8.270 nan 0.000 0.444 11 N N 0.459 119.195 118.700 0.060 0.000 2.289 11 N HA -0.140 4.600 4.740 0.000 0.000 0.184 11 N C 1.246 176.785 175.510 0.049 0.000 1.016 11 N CA 1.134 54.208 53.050 0.040 0.000 0.872 11 N CB 0.035 38.532 38.487 0.016 0.000 0.973 11 N HN 0.353 nan 8.380 nan 0.000 0.433 12 L N 0.004 121.281 121.223 0.091 0.000 2.728 12 L HA 0.333 4.673 4.340 0.000 0.000 0.238 12 L C 0.035 176.982 176.870 0.128 0.000 1.143 12 L CA -0.007 54.883 54.840 0.083 0.000 0.937 12 L CB 0.233 42.299 42.059 0.012 0.000 1.225 12 L HN -0.091 nan 8.230 nan 0.000 0.507 13 L N 1.373 122.669 121.223 0.121 0.000 2.334 13 L HA 0.424 4.764 4.340 0.000 0.000 0.273 13 L C -1.894 175.021 176.870 0.076 0.000 1.013 13 L CA -1.670 53.235 54.840 0.108 0.000 0.816 13 L CB 1.935 44.062 42.059 0.113 0.000 1.278 13 L HN -0.192 nan 8.230 nan 0.000 0.431 14 P HA 0.052 nan 4.420 nan 0.000 0.231 14 P C -0.632 176.688 177.300 0.033 0.000 1.756 14 P CA 0.150 63.291 63.100 0.069 0.000 0.990 14 P CB -0.258 31.511 31.700 0.116 0.000 1.973 15 V N -1.304 118.625 119.914 0.024 0.000 3.126 15 V HA 0.930 5.050 4.120 0.000 0.000 0.314 15 V C -0.133 175.967 176.094 0.010 0.000 1.138 15 V CA -1.024 61.278 62.300 0.004 0.000 1.034 15 V CB 1.864 33.688 31.823 0.002 0.000 1.075 15 V HN 0.376 nan 8.190 nan 0.000 0.442 16 S N -0.370 115.332 115.700 0.003 0.000 2.671 16 S HA 0.448 4.918 4.470 0.000 0.000 0.277 16 S C 0.501 175.103 174.600 0.003 0.000 1.165 16 S CA 0.076 58.279 58.200 0.006 0.000 0.822 16 S CB 1.655 64.859 63.200 0.007 0.000 1.150 16 S HN 1.206 nan 8.310 nan 0.000 0.479 17 E N 1.260 121.462 120.200 0.003 0.000 2.396 17 E HA -0.194 4.156 4.350 0.000 0.000 0.200 17 E C 0.997 177.598 176.600 0.001 0.000 1.023 17 E CA 1.393 57.794 56.400 0.002 0.000 0.857 17 E CB -0.622 29.079 29.700 0.002 0.000 0.775 17 E HN 0.879 nan 8.360 nan 0.000 0.525 18 K N -0.043 120.357 120.400 0.001 0.000 2.358 18 K HA 0.177 4.498 4.320 0.000 0.000 0.200 18 K C 0.052 176.650 176.600 -0.003 0.000 1.030 18 K CA -0.150 56.137 56.287 0.000 0.000 1.097 18 K CB 0.139 32.641 32.500 0.002 0.000 0.862 18 K HN -0.186 nan 8.250 nan 0.000 0.534 19 T N 4.870 119.420 114.554 -0.007 0.000 2.799 19 T HA 0.160 4.510 4.350 0.000 0.000 0.296 19 T C -2.542 172.151 174.700 -0.011 0.000 0.947 19 T CA -1.028 61.063 62.100 -0.015 0.000 1.141 19 T CB 0.826 69.679 68.868 -0.025 0.000 0.891 19 T HN 0.093 nan 8.240 nan 0.000 0.533 20 P HA 0.233 nan 4.420 nan 0.000 0.276 20 P C -0.740 176.560 177.300 -0.000 0.000 1.253 20 P CA -0.425 62.674 63.100 -0.002 0.000 0.766 20 P CB 0.416 32.116 31.700 0.000 0.000 0.845 21 V N 6.074 125.993 119.914 0.008 0.000 2.368 21 V HA 0.150 4.270 4.120 0.000 0.000 0.266 21 V C 0.421 176.537 176.094 0.037 0.000 1.045 21 V CA -0.203 62.108 62.300 0.018 0.000 0.899 21 V CB 0.227 32.063 31.823 0.021 0.000 1.006 21 V HN 0.365 nan 8.190 nan 0.000 0.470 22 I N 5.147 125.751 120.570 0.057 0.000 2.306 22 I HA 0.457 4.627 4.170 0.000 0.000 0.288 22 I C 0.323 176.550 176.117 0.183 0.000 1.036 22 I CA 0.733 62.093 61.300 0.101 0.000 1.221 22 I CB 1.426 39.500 38.000 0.122 0.000 1.385 22 I HN 0.596 nan 8.210 nan 0.000 0.472 23 S N 5.958 121.744 115.700 0.143 0.000 2.546 23 S HA 0.662 5.133 4.470 0.000 0.000 0.274 23 S C -0.119 174.516 174.600 0.058 0.000 1.121 23 S CA -0.565 57.745 58.200 0.184 0.000 0.887 23 S CB 1.086 64.355 63.200 0.115 0.000 1.094 23 S HN 0.540 nan 8.310 nan 0.000 0.474 24 L N 3.953 125.192 121.223 0.026 0.000 2.910 24 L HA 0.500 4.840 4.340 0.000 0.000 0.252 24 L C -0.341 176.523 176.870 -0.009 0.000 1.195 24 L CA -0.129 54.654 54.840 -0.096 0.000 1.003 24 L CB -0.097 41.779 42.059 -0.306 0.000 1.328 24 L HN 0.756 nan 8.230 nan 0.000 0.540 25 L N 1.565 122.815 121.223 0.044 0.000 3.573 25 L HA -0.176 4.164 4.340 0.000 0.000 0.578 25 L C 0.307 177.216 176.870 0.065 0.000 1.299 25 L CA 0.102 54.970 54.840 0.048 0.000 0.914 25 L CB -1.193 40.880 42.059 0.023 0.000 1.563 25 L HN 0.462 nan 8.230 nan 0.000 0.860 26 E N 1.024 121.288 120.200 0.107 0.000 2.267 26 E HA 0.778 5.129 4.350 0.000 0.000 0.258 26 E C 0.882 177.544 176.600 0.104 0.000 1.074 26 E CA 0.232 56.704 56.400 0.120 0.000 0.915 26 E CB 1.295 31.108 29.700 0.189 0.000 1.186 26 E HN 0.465 nan 8.360 nan 0.000 0.439 27 G N 0.207 109.069 108.800 0.103 0.000 2.693 27 G HA2 -0.251 3.709 3.960 0.000 0.000 0.226 27 G HA3 -0.251 3.709 3.960 0.000 0.000 0.226 27 G C -0.103 174.858 174.900 0.101 0.000 1.354 27 G CA 0.263 45.429 45.100 0.109 0.000 0.873 27 G HN 1.306 nan 8.290 nan 0.000 0.562 28 S N -0.805 114.965 115.700 0.118 0.000 3.631 28 S HA -0.148 4.322 4.470 0.000 0.000 0.366 28 S C 0.842 175.497 174.600 0.091 0.000 0.993 28 S CA 2.470 60.732 58.200 0.103 0.000 1.167 28 S CB -2.045 61.201 63.200 0.076 0.000 0.909 28 S HN 2.326 nan 8.310 nan 0.000 0.478 29 T N -0.814 113.799 114.554 0.099 0.000 2.899 29 T HA 0.584 4.934 4.350 0.000 0.000 0.284 29 T C -2.510 172.263 174.700 0.122 0.000 1.004 29 T CA -2.086 60.075 62.100 0.101 0.000 1.043 29 T CB 0.705 69.636 68.868 0.105 0.000 1.013 29 T HN -0.019 nan 8.240 nan 0.000 0.518 30 P HA 0.224 nan 4.420 nan 0.000 0.268 30 P C -0.903 176.503 177.300 0.176 0.000 1.205 30 P CA -0.488 62.708 63.100 0.159 0.000 0.771 30 P CB 0.253 32.067 31.700 0.191 0.000 0.858 31 L N 5.295 126.609 121.223 0.152 0.000 2.371 31 L HA 0.365 4.705 4.340 0.000 0.000 0.262 31 L C -0.682 176.306 176.870 0.197 0.000 1.054 31 L CA -0.194 54.745 54.840 0.164 0.000 0.924 31 L CB -0.520 41.610 42.059 0.118 0.000 1.295 31 L HN 0.241 nan 8.230 nan 0.000 0.441 32 I N 6.559 127.229 120.570 0.165 0.000 2.436 32 I HA 0.217 4.387 4.170 0.000 0.000 0.289 32 I C -1.800 174.372 176.117 0.092 0.000 1.083 32 I CA -1.548 59.819 61.300 0.112 0.000 1.372 32 I CB 0.554 38.575 38.000 0.034 0.000 1.408 32 I HN 0.431 nan 8.210 nan 0.000 0.516 33 P HA 0.184 nan 4.420 nan 0.000 0.276 33 P C -0.476 176.713 177.300 -0.185 0.000 1.253 33 P CA -0.099 62.898 63.100 -0.173 0.000 0.766 33 P CB 0.821 32.457 31.700 -0.107 0.000 0.845 34 L N 3.773 124.850 121.223 -0.244 0.000 2.453 34 L HA 0.202 4.542 4.340 0.000 0.000 0.261 34 L C 1.931 178.723 176.870 -0.130 0.000 1.179 34 L CA -0.360 54.390 54.840 -0.151 0.000 0.813 34 L CB 0.457 42.450 42.059 -0.110 0.000 1.110 34 L HN 0.374 nan 8.230 nan 0.000 0.466 35 K N 0.891 121.248 120.400 -0.071 0.000 2.076 35 K HA 0.062 4.383 4.320 0.000 0.000 0.204 35 K C 0.906 177.502 176.600 -0.006 0.000 1.051 35 K CA 0.949 57.212 56.287 -0.041 0.000 0.949 35 K CB 0.143 32.627 32.500 -0.026 0.000 0.726 35 K HN 0.845 nan 8.250 nan 0.000 0.443 36 G N 0.911 109.749 108.800 0.063 0.000 3.264 36 G HA2 0.292 4.252 3.960 0.000 0.000 0.168 36 G HA3 0.292 4.252 3.960 0.000 0.000 0.168 36 G C -2.727 172.187 174.900 0.023 0.000 1.145 36 G CA -0.789 44.361 45.100 0.084 0.000 0.855 36 G HN -0.105 nan 8.290 nan 0.000 0.629 37 P HA 0.152 nan 4.420 nan 0.000 0.273 37 P C 0.320 177.627 177.300 0.012 0.000 1.250 37 P CA -0.187 62.892 63.100 -0.034 0.000 0.793 37 P CB 1.557 33.149 31.700 -0.180 0.000 1.011 38 E N 0.744 120.976 120.200 0.054 0.000 2.130 38 E HA -0.228 4.122 4.350 0.000 0.000 0.196 38 E C 1.555 178.164 176.600 0.014 0.000 0.998 38 E CA 1.773 58.196 56.400 0.038 0.000 0.806 38 E CB -0.200 29.529 29.700 0.048 0.000 0.738 38 E HN 0.418 nan 8.360 nan 0.000 0.459 39 E N 0.383 120.592 120.200 0.016 0.000 2.023 39 E HA -0.163 4.187 4.350 0.000 0.000 0.196 39 E C 1.959 178.543 176.600 -0.027 0.000 1.003 39 E CA 1.590 57.989 56.400 -0.002 0.000 0.809 39 E CB -0.496 29.210 29.700 0.012 0.000 0.755 39 E HN 0.307 nan 8.360 nan 0.000 0.449 40 A N 0.644 123.433 122.820 -0.053 0.000 1.933 40 A HA -0.197 4.124 4.320 0.000 0.000 0.218 40 A C 2.144 179.700 177.584 -0.048 0.000 1.175 40 A CA 1.705 53.701 52.037 -0.068 0.000 0.628 40 A CB -0.460 18.474 19.000 -0.110 0.000 0.814 40 A HN 0.108 nan 8.150 nan 0.000 0.444 41 R N 0.047 120.526 120.500 -0.035 0.000 2.073 41 R HA -0.075 4.265 4.340 0.000 0.000 0.234 41 R C 0.829 177.118 176.300 -0.018 0.000 1.134 41 R CA 1.629 57.714 56.100 -0.026 0.000 0.952 41 R CB -0.182 30.110 30.300 -0.014 0.000 0.850 41 R HN 0.374 nan 8.270 nan 0.000 0.433 42 K N 0.155 120.547 120.400 -0.013 0.000 2.968 42 K HA -0.019 4.301 4.320 0.000 0.000 0.249 42 K C 0.413 177.005 176.600 -0.012 0.000 1.062 42 K CA 0.202 56.484 56.287 -0.009 0.000 1.215 42 K CB 0.478 32.975 32.500 -0.005 0.000 1.097 42 K HN -0.093 nan 8.250 nan 0.000 0.462 43 K N -1.022 119.368 120.400 -0.017 0.000 2.608 43 K HA 0.098 4.418 4.320 0.000 0.000 0.209 43 K C 0.603 177.191 176.600 -0.020 0.000 1.369 43 K CA 0.602 56.878 56.287 -0.019 0.000 1.029 43 K CB 0.798 33.282 32.500 -0.027 0.000 1.139 43 K HN 0.160 nan 8.250 nan 0.000 0.623 44 G N 1.337 110.125 108.800 -0.019 0.000 2.196 44 G HA2 -0.291 3.669 3.960 0.000 0.000 0.268 44 G HA3 -0.291 3.669 3.960 0.000 0.000 0.268 44 G C 0.059 174.944 174.900 -0.025 0.000 0.975 44 G CA 0.663 45.752 45.100 -0.017 0.000 0.648 44 G HN 0.304 nan 8.290 nan 0.000 0.538 45 I N 1.248 121.797 120.570 -0.035 0.000 2.421 45 I HA 0.248 4.419 4.170 0.000 0.000 0.291 45 I C 0.997 177.087 176.117 -0.045 0.000 1.089 45 I CA -0.220 61.056 61.300 -0.039 0.000 1.354 45 I CB 0.498 38.464 38.000 -0.055 0.000 1.413 45 I HN 0.045 nan 8.210 nan 0.000 0.513 46 R N 5.808 126.296 120.500 -0.020 0.000 2.265 46 R HA 0.566 4.907 4.340 0.000 0.000 0.319 46 R C -1.091 175.157 176.300 -0.088 0.000 1.006 46 R CA -0.848 55.207 56.100 -0.074 0.000 0.880 46 R CB 1.219 31.505 30.300 -0.023 0.000 1.077 46 R HN 0.378 nan 8.270 nan 0.000 0.454 47 L N 3.682 124.770 121.223 -0.224 0.000 2.325 47 L HA 0.442 4.782 4.340 0.000 0.000 0.278 47 L C -0.974 175.677 176.870 -0.366 0.000 1.023 47 L CA -0.397 54.344 54.840 -0.164 0.000 0.811 47 L CB 0.961 42.945 42.059 -0.125 0.000 1.249 47 L HN 0.463 nan 8.230 nan 0.000 0.431 48 Y N 1.004 121.299 120.300 -0.009 0.000 2.442 48 Y HA 0.723 5.274 4.550 0.000 0.000 0.344 48 Y C 0.000 175.896 175.900 -0.007 0.000 0.976 48 Y CA -1.086 57.012 58.100 -0.002 0.000 1.040 48 Y CB 2.047 40.513 38.460 0.009 0.000 1.228 48 Y HN 0.578 nan 8.280 nan 0.000 0.451 49 A N 2.928 125.827 122.820 0.131 0.000 2.256 49 A HA 0.580 4.900 4.320 0.000 0.000 0.317 49 A C -0.670 177.000 177.584 0.144 0.000 1.318 49 A CA -0.907 51.184 52.037 0.090 0.000 0.894 49 A CB 0.462 19.457 19.000 -0.009 0.000 1.165 49 A HN 0.544 nan 8.150 nan 0.000 0.525 50 K N 2.495 122.994 120.400 0.165 0.000 2.219 50 K HA 0.147 4.467 4.320 0.000 0.000 0.280 50 K C -0.951 175.807 176.600 0.263 0.000 1.104 50 K CA -0.188 56.216 56.287 0.196 0.000 0.925 50 K CB -0.309 32.304 32.500 0.189 0.000 1.261 50 K HN 0.517 nan 8.250 nan 0.000 0.445 51 Y N 4.534 124.895 120.300 0.103 0.000 2.570 51 Y HA 0.091 4.641 4.550 0.000 0.000 0.336 51 Y C 0.303 176.274 175.900 0.119 0.000 1.284 51 Y CA -0.430 57.728 58.100 0.096 0.000 1.761 51 Y CB 0.067 38.574 38.460 0.078 0.000 1.724 51 Y HN 0.648 nan 8.280 nan 0.000 0.455 52 E N 1.892 122.236 120.200 0.240 0.000 2.515 52 E HA -0.062 4.288 4.350 0.000 0.000 0.201 52 E C 1.943 178.574 176.600 0.052 0.000 1.071 52 E CA 0.617 57.116 56.400 0.164 0.000 0.880 52 E CB -0.012 29.854 29.700 0.277 0.000 0.828 52 E HN 0.873 nan 8.360 nan 0.000 0.540 53 G N 0.499 109.222 108.800 -0.128 0.000 2.598 53 G HA2 -0.117 3.844 3.960 0.000 0.000 0.215 53 G HA3 -0.117 3.844 3.960 0.000 0.000 0.215 53 G C 1.301 176.053 174.900 -0.247 0.000 1.131 53 G CA -0.045 44.929 45.100 -0.210 0.000 0.785 53 G HN 0.213 nan 8.290 nan 0.000 0.539 54 L N 0.460 121.494 121.223 -0.315 0.000 2.653 54 L HA 0.224 4.564 4.340 0.000 0.000 0.231 54 L C 0.446 177.287 176.870 -0.048 0.000 1.153 54 L CA -0.431 54.308 54.840 -0.168 0.000 0.933 54 L CB -0.321 41.641 42.059 -0.161 0.000 1.175 54 L HN 0.046 nan 8.230 nan 0.000 0.473 55 N N 1.126 119.817 118.700 -0.014 0.000 2.503 55 N HA 0.100 4.840 4.740 0.000 0.000 0.267 55 N C -1.516 174.004 175.510 0.016 0.000 1.214 55 N CA -1.121 51.948 53.050 0.032 0.000 0.959 55 N CB 1.278 39.805 38.487 0.067 0.000 1.142 55 N HN -0.208 nan 8.380 nan 0.000 0.455 56 P HA -0.187 nan 4.420 nan 0.000 0.220 56 P C 0.983 178.279 177.300 -0.007 0.000 1.155 56 P CA 2.145 65.241 63.100 -0.007 0.000 0.880 56 P CB 0.061 31.739 31.700 -0.036 0.000 0.790 57 T N -6.170 108.394 114.554 0.016 0.000 3.122 57 T HA 0.422 4.772 4.350 0.000 0.000 0.250 57 T C 1.303 176.010 174.700 0.011 0.000 1.067 57 T CA 0.279 62.393 62.100 0.023 0.000 0.966 57 T CB -0.572 68.317 68.868 0.034 0.000 1.002 57 T HN 0.279 nan 8.240 nan 0.000 0.542 58 G N 0.979 109.779 108.800 0.001 0.000 2.141 58 G HA2 -0.162 3.798 3.960 0.000 0.000 0.242 58 G HA3 -0.162 3.798 3.960 0.000 0.000 0.242 58 G C 0.137 175.057 174.900 0.033 0.000 0.982 58 G CA 0.307 45.410 45.100 0.006 0.000 0.662 58 G HN 1.616 nan 8.290 nan 0.000 0.527 59 S N -1.318 114.394 115.700 0.020 0.000 2.625 59 S HA 0.682 5.153 4.470 0.000 0.000 0.271 59 S C 0.702 175.317 174.600 0.025 0.000 1.161 59 S CA -0.045 58.170 58.200 0.025 0.000 0.820 59 S CB 0.703 63.851 63.200 -0.086 0.000 1.137 59 S HN 1.329 nan 8.310 nan 0.000 0.470 60 F N 0.669 120.647 119.950 0.046 0.000 2.451 60 F HA 0.293 4.820 4.527 0.000 0.000 0.299 60 F C 1.835 177.651 175.800 0.027 0.000 1.101 60 F CA 0.326 58.352 58.000 0.044 0.000 1.436 60 F CB -0.496 38.541 39.000 0.062 0.000 1.074 60 F HN 0.367 nan 8.300 nan 0.000 0.553 61 K N 0.894 120.885 120.400 -0.681 0.000 2.173 61 K HA -0.139 4.182 4.320 0.000 0.000 0.207 61 K C -0.160 176.330 176.600 -0.183 0.000 1.046 61 K CA 1.073 57.074 56.287 -0.477 0.000 0.929 61 K CB -0.968 31.284 32.500 -0.414 0.000 0.720 61 K HN 0.439 nan 8.250 nan 0.000 0.453 62 D N 1.144 121.501 120.400 -0.072 0.000 2.339 62 D HA 0.140 4.780 4.640 0.000 0.000 0.256 62 D C 0.957 177.261 176.300 0.007 0.000 1.214 62 D CA 0.175 54.176 54.000 0.002 0.000 0.877 62 D CB 1.506 42.429 40.800 0.205 0.000 1.111 62 D HN 0.082 nan 8.370 nan 0.000 0.478 63 R N 1.035 121.502 120.500 -0.054 0.000 1.691 63 R HA -0.068 4.272 4.340 0.000 0.000 0.029 63 R C 1.609 177.879 176.300 -0.051 0.000 0.823 63 R CA 0.554 56.652 56.100 -0.003 0.000 3.535 63 R CB -1.101 29.237 30.300 0.064 0.000 0.716 63 R HN 0.441 nan 8.270 nan 0.000 0.581 64 G N 0.829 109.597 108.800 -0.053 0.000 2.426 64 G HA2 -0.174 3.786 3.960 0.000 0.000 0.214 64 G HA3 -0.174 3.786 3.960 0.000 0.000 0.214 64 G C 1.140 175.961 174.900 -0.132 0.000 1.156 64 G CA 0.880 45.948 45.100 -0.052 0.000 0.802 64 G HN 0.083 nan 8.290 nan 0.000 0.534 65 M N 0.922 120.374 119.600 -0.247 0.000 2.229 65 M HA 0.058 4.538 4.480 0.000 0.000 0.264 65 M C 2.477 178.412 176.300 -0.608 0.000 1.063 65 M CA 1.674 56.734 55.300 -0.399 0.000 1.114 65 M CB -0.664 31.649 32.600 -0.479 0.000 1.387 65 M HN 0.182 nan 8.290 nan 0.000 0.420 66 T N -0.503 113.640 114.554 -0.684 0.000 2.821 66 T HA -0.106 4.244 4.350 0.000 0.000 0.267 66 T C 1.607 176.180 174.700 -0.211 0.000 1.046 66 T CA 1.497 63.296 62.100 -0.502 0.000 1.139 66 T CB -0.219 68.528 68.868 -0.201 0.000 0.871 66 T HN 0.353 nan 8.240 nan 0.000 0.454 67 L N 0.928 122.057 121.223 -0.156 0.000 2.131 67 L HA 0.353 4.693 4.340 0.000 0.000 0.206 67 L C 2.631 179.416 176.870 -0.142 0.000 1.087 67 L CA 1.738 56.508 54.840 -0.117 0.000 0.767 67 L CB -1.090 40.935 42.059 -0.057 0.000 0.917 67 L HN 0.274 nan 8.230 nan 0.000 0.441 68 A N -1.053 121.716 122.820 -0.084 0.000 1.858 68 A HA -0.160 4.161 4.320 0.000 0.000 0.216 68 A C 2.225 179.783 177.584 -0.043 0.000 1.190 68 A CA 2.175 54.205 52.037 -0.013 0.000 0.617 68 A CB -1.108 17.890 19.000 -0.003 0.000 0.827 68 A HN 0.248 nan 8.150 nan 0.000 0.443 69 V N -0.197 119.672 119.914 -0.075 0.000 2.515 69 V HA -0.174 3.946 4.120 0.000 0.000 0.250 69 V C 2.752 178.829 176.094 -0.028 0.000 1.058 69 V CA 2.107 64.389 62.300 -0.030 0.000 1.064 69 V CB -0.655 31.170 31.823 0.002 0.000 0.675 69 V HN 0.545 nan 8.190 nan 0.000 0.461 70 S N -0.323 115.342 115.700 -0.057 0.000 2.356 70 S HA -0.168 4.302 4.470 0.000 0.000 0.223 70 S C 2.087 176.638 174.600 -0.081 0.000 1.032 70 S CA 1.211 59.380 58.200 -0.052 0.000 1.005 70 S CB -0.223 62.941 63.200 -0.059 0.000 0.867 70 S HN 0.463 nan 8.310 nan 0.000 0.449 71 K N 1.694 121.998 120.400 -0.160 0.000 2.097 71 K HA 0.145 4.466 4.320 0.000 0.000 0.205 71 K C 2.273 178.837 176.600 -0.060 0.000 1.050 71 K CA 1.094 57.262 56.287 -0.198 0.000 0.938 71 K CB -0.790 31.361 32.500 -0.582 0.000 0.718 71 K HN 0.350 nan 8.250 nan 0.000 0.442 72 A N 1.158 123.966 122.820 -0.020 0.000 1.902 72 A HA -0.119 4.202 4.320 0.000 0.000 0.217 72 A C 2.490 180.082 177.584 0.014 0.000 1.181 72 A CA 1.594 53.645 52.037 0.022 0.000 0.623 72 A CB -0.653 18.365 19.000 0.030 0.000 0.818 72 A HN 0.061 nan 8.150 nan 0.000 0.443 73 V N -0.076 119.840 119.914 0.003 0.000 2.427 73 V HA -0.236 3.884 4.120 0.000 0.000 0.248 73 V C 2.442 178.538 176.094 0.004 0.000 1.051 73 V CA 2.131 64.435 62.300 0.007 0.000 1.048 73 V CB -0.670 31.158 31.823 0.008 0.000 0.666 73 V HN 0.753 nan 8.190 nan 0.000 0.456 74 E N 0.502 120.698 120.200 -0.007 0.000 2.118 74 E HA -0.193 4.157 4.350 0.000 0.000 0.195 74 E C 2.100 178.704 176.600 0.007 0.000 0.992 74 E CA 1.285 57.681 56.400 -0.006 0.000 0.804 74 E CB -0.325 29.362 29.700 -0.021 0.000 0.741 74 E HN 0.607 nan 8.360 nan 0.000 0.458 75 G N -0.851 107.957 108.800 0.014 0.000 2.920 75 G HA2 0.109 4.069 3.960 0.000 0.000 0.208 75 G HA3 0.109 4.069 3.960 0.000 0.000 0.208 75 G C 0.969 175.882 174.900 0.022 0.000 1.159 75 G CA 0.292 45.407 45.100 0.023 0.000 0.784 75 G HN 0.481 nan 8.290 nan 0.000 0.535 76 G N -1.212 107.599 108.800 0.018 0.000 2.136 76 G HA2 0.104 4.064 3.960 0.000 0.000 0.242 76 G HA3 0.104 4.064 3.960 0.000 0.000 0.242 76 G C 0.512 175.425 174.900 0.022 0.000 0.989 76 G CA 0.210 45.321 45.100 0.018 0.000 0.682 76 G HN 1.330 nan 8.290 nan 0.000 0.522 77 A N -0.392 122.443 122.820 0.024 0.000 2.425 77 A HA 0.648 4.968 4.320 0.000 0.000 0.249 77 A C 0.962 178.561 177.584 0.026 0.000 1.084 77 A CA 0.760 52.814 52.037 0.028 0.000 0.781 77 A CB 0.306 19.325 19.000 0.032 0.000 1.019 77 A HN 0.546 nan 8.150 nan 0.000 0.490 78 Q N 0.040 119.857 119.800 0.027 0.000 2.135 78 Q HA 0.475 4.816 4.340 0.000 0.000 0.222 78 Q C -0.360 175.654 176.000 0.023 0.000 0.808 78 Q CA 0.408 56.225 55.803 0.024 0.000 1.049 78 Q CB 0.793 29.544 28.738 0.023 0.000 1.168 78 Q HN 0.916 nan 8.270 nan 0.000 0.483 79 A N 0.493 123.328 122.820 0.026 0.000 2.594 79 A HA 0.638 4.958 4.320 0.000 0.000 0.296 79 A C -1.151 176.449 177.584 0.026 0.000 1.056 79 A CA -0.637 51.413 52.037 0.022 0.000 0.693 79 A CB 1.196 20.207 19.000 0.018 0.000 1.278 79 A HN 0.120 nan 8.150 nan 0.000 0.408 80 V N -2.069 117.857 119.914 0.021 0.000 3.130 80 V HA 1.068 5.188 4.120 0.000 0.000 0.310 80 V C -0.082 176.023 176.094 0.017 0.000 1.158 80 V CA -0.311 62.003 62.300 0.024 0.000 1.029 80 V CB 1.222 33.060 31.823 0.024 0.000 1.057 80 V HN 2.634 nan 8.190 nan 0.000 0.436 81 A N 0.820 123.652 122.820 0.020 0.000 2.594 81 A HA 1.040 5.360 4.320 0.000 0.000 0.291 81 A C -0.470 177.126 177.584 0.020 0.000 1.105 81 A CA -0.057 51.989 52.037 0.015 0.000 0.694 81 A CB 1.539 20.545 19.000 0.011 0.000 1.291 81 A HN 2.726 nan 8.150 nan 0.000 0.410 82 C N -0.851 118.462 119.300 0.021 0.000 3.302 82 C HA 0.888 5.349 4.460 0.000 0.000 0.347 82 C C 0.051 175.063 174.990 0.036 0.000 1.218 82 C CA -0.235 58.801 59.018 0.031 0.000 1.234 82 C CB 0.766 28.533 27.740 0.044 0.000 1.551 82 C HN 2.272 nan 8.230 nan 0.000 0.501 83 A N 1.365 124.205 122.820 0.033 0.000 2.271 83 A HA 0.950 5.271 4.320 0.000 0.000 0.288 83 A C 0.111 177.823 177.584 0.213 0.000 1.094 83 A CA 0.268 52.319 52.037 0.024 0.000 0.828 83 A CB 0.907 19.789 19.000 -0.197 0.000 1.091 83 A HN 2.463 nan 8.150 nan 0.000 0.493 84 S N -1.694 114.197 115.700 0.319 0.000 2.580 84 S HA 0.377 4.847 4.470 0.000 0.000 0.281 84 S C 0.362 175.130 174.600 0.280 0.000 1.129 84 S CA 0.210 58.619 58.200 0.348 0.000 0.862 84 S CB 0.545 63.838 63.200 0.155 0.000 1.090 84 S HN 1.500 nan 8.310 nan 0.000 0.451 85 T N 0.773 115.389 114.554 0.104 0.000 3.129 85 T HA 0.489 4.839 4.350 0.000 0.000 0.251 85 T C 1.375 176.100 174.700 0.042 0.000 1.117 85 T CA 1.112 63.237 62.100 0.042 0.000 1.034 85 T CB 0.154 68.950 68.868 -0.119 0.000 0.968 85 T HN 1.664 nan 8.240 nan 0.000 0.526 86 G N 1.329 110.152 108.800 0.039 0.000 3.898 86 G HA2 -0.199 3.761 3.960 0.000 0.000 0.196 86 G HA3 -0.199 3.761 3.960 0.000 0.000 0.196 86 G C 0.981 175.886 174.900 0.008 0.000 1.322 86 G CA 0.091 45.209 45.100 0.030 0.000 0.942 86 G HN 0.297 nan 8.290 nan 0.000 0.400 87 N N 1.119 119.802 118.700 -0.028 0.000 2.171 87 N HA -0.021 4.719 4.740 0.000 0.000 0.184 87 N C 2.172 177.637 175.510 -0.076 0.000 1.021 87 N CA 1.907 54.920 53.050 -0.061 0.000 0.854 87 N CB -0.541 37.877 38.487 -0.115 0.000 0.994 87 N HN 0.429 nan 8.380 nan 0.000 0.426 88 T N 1.306 115.813 114.554 -0.079 0.000 2.788 88 T HA -0.055 4.295 4.350 0.000 0.000 0.268 88 T C 1.999 176.694 174.700 -0.008 0.000 1.044 88 T CA 1.313 63.376 62.100 -0.061 0.000 1.139 88 T CB -0.260 68.597 68.868 -0.018 0.000 0.867 88 T HN 0.319 nan 8.240 nan 0.000 0.454 89 A N 1.540 124.372 122.820 0.020 0.000 1.877 89 A HA 0.171 4.491 4.320 0.000 0.000 0.216 89 A C 2.681 180.284 177.584 0.032 0.000 1.186 89 A CA 1.800 53.858 52.037 0.035 0.000 0.620 89 A CB -1.184 17.846 19.000 0.050 0.000 0.822 89 A HN 0.500 nan 8.150 nan 0.000 0.443 90 A N -0.914 121.926 122.820 0.033 0.000 1.908 90 A HA -0.133 4.187 4.320 0.000 0.000 0.218 90 A C 2.486 180.082 177.584 0.021 0.000 1.181 90 A CA 2.270 54.339 52.037 0.052 0.000 0.627 90 A CB -0.943 18.090 19.000 0.055 0.000 0.818 90 A HN 0.526 nan 8.150 nan 0.000 0.445 91 S N -0.713 115.003 115.700 0.026 0.000 2.355 91 S HA -0.002 4.468 4.470 0.000 0.000 0.222 91 S C 2.227 176.914 174.600 0.145 0.000 1.031 91 S CA 1.470 59.727 58.200 0.096 0.000 0.993 91 S CB -0.473 62.752 63.200 0.043 0.000 0.859 91 S HN 0.808 nan 8.310 nan 0.000 0.453 92 A N 1.409 124.265 122.820 0.059 0.000 1.902 92 A HA 0.136 4.456 4.320 0.000 0.000 0.217 92 A C 2.430 180.033 177.584 0.032 0.000 1.181 92 A CA 1.932 54.001 52.037 0.054 0.000 0.623 92 A CB -1.370 17.646 19.000 0.026 0.000 0.818 92 A HN 0.705 nan 8.150 nan 0.000 0.443 93 A N -0.118 122.698 122.820 -0.005 0.000 1.883 93 A HA 0.100 4.420 4.320 0.000 0.000 0.217 93 A C 2.525 179.985 177.584 -0.206 0.000 1.186 93 A CA 2.371 54.384 52.037 -0.040 0.000 0.624 93 A CB -1.066 17.952 19.000 0.029 0.000 0.822 93 A HN 1.088 nan 8.150 nan 0.000 0.444 94 A N -1.735 120.821 122.820 -0.440 0.000 1.898 94 A HA -0.023 4.297 4.320 0.000 0.000 0.216 94 A C 2.089 179.418 177.584 -0.426 0.000 1.181 94 A CA 1.482 53.041 52.037 -0.797 0.000 0.620 94 A CB -0.754 17.742 19.000 -0.840 0.000 0.819 94 A HN 0.581 nan 8.150 nan 0.000 0.442 95 Y N -0.145 120.042 120.300 -0.189 0.000 2.314 95 Y HA 0.011 4.561 4.550 0.001 0.000 0.293 95 Y C 2.837 178.690 175.900 -0.078 0.000 1.129 95 Y CA 0.726 58.762 58.100 -0.107 0.000 1.201 95 Y CB -0.328 38.087 38.460 -0.075 0.000 0.999 95 Y HN 0.337 nan 8.280 nan 0.000 0.541 96 A N 0.185 123.036 122.820 0.051 0.000 1.877 96 A HA -0.148 4.172 4.320 0.000 0.000 0.216 96 A C 2.454 180.036 177.584 -0.002 0.000 1.186 96 A CA 1.796 53.850 52.037 0.027 0.000 0.620 96 A CB -1.271 17.739 19.000 0.017 0.000 0.822 96 A HN 0.385 nan 8.150 nan 0.000 0.443 97 A N -0.327 122.471 122.820 -0.037 0.000 1.908 97 A HA -0.198 4.123 4.320 0.000 0.000 0.218 97 A C 2.189 179.751 177.584 -0.036 0.000 1.181 97 A CA 2.297 54.318 52.037 -0.027 0.000 0.627 97 A CB -0.455 18.534 19.000 -0.018 0.000 0.818 97 A HN 0.471 nan 8.150 nan 0.000 0.445 98 R N 0.105 120.560 120.500 -0.075 0.000 2.070 98 R HA -0.002 4.338 4.340 0.000 0.000 0.233 98 R C 2.141 178.431 176.300 -0.017 0.000 1.137 98 R CA 2.006 58.064 56.100 -0.070 0.000 0.945 98 R CB -0.928 29.289 30.300 -0.138 0.000 0.845 98 R HN 0.381 nan 8.270 nan 0.000 0.430 99 A N -1.062 121.764 122.820 0.011 0.000 2.067 99 A HA 0.178 4.498 4.320 0.000 0.000 0.219 99 A C 1.457 179.049 177.584 0.014 0.000 1.158 99 A CA 1.167 53.218 52.037 0.024 0.000 0.661 99 A CB -0.678 18.347 19.000 0.042 0.000 0.801 99 A HN 0.661 nan 8.150 nan 0.000 0.452 100 G N -0.708 108.097 108.800 0.008 0.000 2.149 100 G HA2 -0.199 3.761 3.960 0.000 0.000 0.235 100 G HA3 -0.199 3.761 3.960 0.000 0.000 0.235 100 G C 0.143 175.049 174.900 0.010 0.000 1.018 100 G CA 0.363 45.467 45.100 0.007 0.000 0.728 100 G HN 1.361 nan 8.290 nan 0.000 0.508 101 I N -3.134 117.444 120.570 0.013 0.000 3.237 101 I HA 0.936 5.106 4.170 0.000 0.000 0.308 101 I C 0.193 176.317 176.117 0.012 0.000 1.093 101 I CA -1.889 59.420 61.300 0.014 0.000 1.001 101 I CB 1.504 39.515 38.000 0.019 0.000 1.245 101 I HN 0.039 nan 8.210 nan 0.000 0.485 102 L N 2.407 123.636 121.223 0.010 0.000 2.350 102 L HA 0.772 5.113 4.340 0.000 0.000 0.275 102 L C -0.298 176.575 176.870 0.005 0.000 1.099 102 L CA 0.024 54.867 54.840 0.004 0.000 0.808 102 L CB 1.092 43.149 42.059 -0.004 0.000 1.149 102 L HN 0.833 nan 8.230 nan 0.000 0.442 103 A N 6.259 129.081 122.820 0.003 0.000 2.343 103 A HA 0.778 5.098 4.320 0.000 0.000 0.316 103 A C -0.951 176.631 177.584 -0.003 0.000 1.104 103 A CA -0.451 51.589 52.037 0.006 0.000 0.768 103 A CB 0.685 19.692 19.000 0.013 0.000 1.213 103 A HN 0.672 nan 8.150 nan 0.000 0.456 104 I N 3.184 123.750 120.570 -0.007 0.000 2.410 104 I HA 0.441 4.611 4.170 0.000 0.000 0.286 104 I C -0.536 175.579 176.117 -0.002 0.000 1.009 104 I CA -0.927 60.362 61.300 -0.018 0.000 1.111 104 I CB 2.020 39.993 38.000 -0.046 0.000 1.262 104 I HN 0.508 nan 8.210 nan 0.000 0.443 105 V N 4.743 124.660 119.914 0.006 0.000 2.495 105 V HA 0.631 4.751 4.120 0.000 0.000 0.298 105 V C -0.463 175.644 176.094 0.021 0.000 1.031 105 V CA -0.632 61.681 62.300 0.021 0.000 0.871 105 V CB 1.687 33.531 31.823 0.034 0.000 0.988 105 V HN 0.359 nan 8.190 nan 0.000 0.432 106 V N 6.567 126.495 119.914 0.025 0.000 2.328 106 V HA 0.516 4.636 4.120 0.000 0.000 0.278 106 V C 0.033 176.157 176.094 0.051 0.000 1.021 106 V CA -0.294 62.019 62.300 0.022 0.000 0.838 106 V CB 0.862 32.684 31.823 -0.001 0.000 0.999 106 V HN 0.830 nan 8.190 nan 0.000 0.447 107 L N 6.186 127.446 121.223 0.062 0.000 2.330 107 L HA 0.619 4.959 4.340 0.000 0.000 0.271 107 L C -2.613 174.321 176.870 0.107 0.000 1.013 107 L CA -2.215 52.684 54.840 0.098 0.000 0.816 107 L CB 2.169 44.281 42.059 0.088 0.000 1.287 107 L HN 0.345 nan 8.230 nan 0.000 0.435 108 P HA 0.136 nan 4.420 nan 0.000 0.276 108 P C -0.669 176.754 177.300 0.204 0.000 1.243 108 P CA -0.305 62.899 63.100 0.173 0.000 0.768 108 P CB 0.978 32.803 31.700 0.208 0.000 0.856 109 A N 3.886 126.811 122.820 0.175 0.000 2.548 109 A HA 0.394 4.714 4.320 0.000 0.000 0.247 109 A C 1.649 179.325 177.584 0.154 0.000 1.067 109 A CA 0.814 52.933 52.037 0.137 0.000 0.757 109 A CB -1.392 17.670 19.000 0.103 0.000 0.996 109 A HN 0.871 nan 8.150 nan 0.000 0.504 110 G N 1.160 109.964 108.800 0.006 0.000 2.189 110 G HA2 -0.314 3.647 3.960 0.000 0.000 0.267 110 G HA3 -0.314 3.647 3.960 0.000 0.000 0.267 110 G C 0.178 174.808 174.900 -0.449 0.000 0.975 110 G CA 1.207 46.181 45.100 -0.211 0.000 0.644 110 G HN 0.969 nan 8.290 nan 0.000 0.537 111 Y N -0.325 119.994 120.300 0.032 0.000 2.736 111 Y HA 0.560 5.111 4.550 0.001 0.000 0.293 111 Y C 0.444 176.362 175.900 0.029 0.000 1.062 111 Y CA -0.522 57.597 58.100 0.031 0.000 1.247 111 Y CB 0.975 39.459 38.460 0.041 0.000 1.200 111 Y HN 0.137 nan 8.280 nan 0.000 0.552 112 V N 0.754 120.719 119.914 0.085 0.000 2.531 112 V HA 0.670 4.790 4.120 0.000 0.000 0.301 112 V C 0.215 176.326 176.094 0.028 0.000 1.034 112 V CA -1.575 60.765 62.300 0.067 0.000 0.865 112 V CB 1.444 33.307 31.823 0.068 0.000 0.995 112 V HN 0.351 nan 8.190 nan 0.000 0.424 113 A N 4.177 127.013 122.820 0.026 0.000 2.540 113 A HA 0.253 4.573 4.320 0.000 0.000 0.239 113 A C 1.388 178.982 177.584 0.016 0.000 1.061 113 A CA -0.081 51.965 52.037 0.016 0.000 0.758 113 A CB 0.095 19.105 19.000 0.017 0.000 0.991 113 A HN 0.998 nan 8.150 nan 0.000 0.502 114 L N 3.041 124.272 121.223 0.013 0.000 2.064 114 L HA -0.224 4.116 4.340 0.000 0.000 0.216 114 L C 2.172 179.052 176.870 0.016 0.000 1.077 114 L CA 2.803 57.651 54.840 0.013 0.000 0.766 114 L CB -1.075 40.994 42.059 0.016 0.000 0.890 114 L HN 0.927 nan 8.230 nan 0.000 0.435 115 G N -0.375 108.438 108.800 0.022 0.000 2.418 115 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 115 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 115 G C 1.635 176.545 174.900 0.016 0.000 1.158 115 G CA 0.742 45.854 45.100 0.019 0.000 0.771 115 G HN 0.415 nan 8.290 nan 0.000 0.545 116 K N 0.033 120.445 120.400 0.021 0.000 2.097 116 K HA 0.031 4.351 4.320 0.000 0.000 0.205 116 K C 2.487 179.105 176.600 0.030 0.000 1.050 116 K CA 0.853 57.156 56.287 0.026 0.000 0.938 116 K CB -0.206 32.309 32.500 0.024 0.000 0.718 116 K HN 0.215 nan 8.250 nan 0.000 0.442 117 V N 1.548 121.476 119.914 0.024 0.000 2.307 117 V HA -0.227 3.893 4.120 0.000 0.000 0.245 117 V C 2.389 178.492 176.094 0.014 0.000 1.045 117 V CA 1.983 64.296 62.300 0.021 0.000 1.024 117 V CB -0.660 31.172 31.823 0.015 0.000 0.651 117 V HN 0.353 nan 8.190 nan 0.000 0.449 118 A N -0.797 122.026 122.820 0.005 0.000 1.940 118 A HA -0.317 4.004 4.320 0.000 0.000 0.219 118 A C 2.171 179.740 177.584 -0.025 0.000 1.176 118 A CA 2.160 54.189 52.037 -0.012 0.000 0.631 118 A CB -0.448 18.542 19.000 -0.017 0.000 0.814 118 A HN 0.656 nan 8.150 nan 0.000 0.446 119 Q N -0.740 119.060 119.800 0.001 0.000 2.016 119 Q HA -0.097 4.244 4.340 0.000 0.000 0.200 119 Q C 2.522 178.582 176.000 0.100 0.000 0.978 119 Q CA 1.648 57.469 55.803 0.030 0.000 0.833 119 Q CB -0.234 28.568 28.738 0.106 0.000 0.895 119 Q HN 0.626 nan 8.270 nan 0.000 0.427 120 S N 0.838 116.596 115.700 0.096 0.000 2.370 120 S HA -0.159 4.311 4.470 0.000 0.000 0.226 120 S C 1.874 176.514 174.600 0.066 0.000 1.033 120 S CA 0.978 59.235 58.200 0.095 0.000 1.011 120 S CB -0.241 62.996 63.200 0.061 0.000 0.852 120 S HN 0.122 nan 8.310 nan 0.000 0.457 121 L N 0.893 122.132 121.223 0.027 0.000 1.944 121 L HA -0.079 4.261 4.340 0.000 0.000 0.218 121 L C 2.488 179.352 176.870 -0.010 0.000 1.075 121 L CA 1.566 56.410 54.840 0.006 0.000 0.767 121 L CB -1.268 40.787 42.059 -0.008 0.000 0.890 121 L HN 0.218 nan 8.230 nan 0.000 0.434 122 V N -0.904 118.975 119.914 -0.057 0.000 2.490 122 V HA -0.287 3.833 4.120 0.000 0.000 0.250 122 V C 2.356 178.382 176.094 -0.114 0.000 1.061 122 V CA 1.596 63.829 62.300 -0.112 0.000 1.064 122 V CB -0.678 31.032 31.823 -0.188 0.000 0.670 122 V HN 0.563 nan 8.190 nan 0.000 0.461 123 H N 0.308 119.368 119.070 -0.017 0.000 2.563 123 H HA 0.184 4.740 4.556 0.000 0.000 0.272 123 H C 1.760 177.079 175.328 -0.015 0.000 1.005 123 H CA 0.580 56.616 56.048 -0.020 0.000 1.171 123 H CB -0.462 29.288 29.762 -0.021 0.000 1.351 123 H HN 0.605 nan 8.280 nan 0.000 0.602 124 G N 0.770 109.618 108.800 0.080 0.000 2.246 124 G HA2 -0.210 3.750 3.960 0.000 0.000 0.273 124 G HA3 -0.210 3.750 3.960 0.000 0.000 0.273 124 G C 0.374 175.301 174.900 0.044 0.000 1.055 124 G CA 0.362 45.489 45.100 0.046 0.000 0.851 124 G HN 0.689 nan 8.290 nan 0.000 0.500 125 A N -0.558 122.293 122.820 0.052 0.000 2.286 125 A HA 0.815 5.135 4.320 0.000 0.000 0.286 125 A C 0.760 178.354 177.584 0.016 0.000 1.097 125 A CA -0.163 51.895 52.037 0.035 0.000 0.821 125 A CB 0.531 19.558 19.000 0.045 0.000 1.076 125 A HN 0.731 nan 8.150 nan 0.000 0.490 126 R N 1.415 121.917 120.500 0.003 0.000 2.308 126 R HA 0.415 4.755 4.340 0.000 0.000 0.325 126 R C -1.100 175.195 176.300 -0.008 0.000 1.161 126 R CA -0.016 56.077 56.100 -0.012 0.000 1.022 126 R CB -0.382 29.898 30.300 -0.032 0.000 1.091 126 R HN 0.640 nan 8.270 nan 0.000 0.497 127 I N 4.396 124.965 120.570 -0.001 0.000 2.365 127 I HA 0.213 4.383 4.170 0.000 0.000 0.291 127 I C -0.414 175.703 176.117 0.000 0.000 1.004 127 I CA -0.823 60.480 61.300 0.005 0.000 1.311 127 I CB 1.823 39.832 38.000 0.014 0.000 1.401 127 I HN 0.228 nan 8.210 nan 0.000 0.491 128 V N 6.573 126.489 119.914 0.003 0.000 2.380 128 V HA 0.234 4.354 4.120 0.000 0.000 0.286 128 V C -0.247 175.857 176.094 0.017 0.000 1.015 128 V CA -0.665 61.636 62.300 0.002 0.000 0.834 128 V CB 1.396 33.213 31.823 -0.009 0.000 1.009 128 V HN 0.681 nan 8.190 nan 0.000 0.428 129 Q N 3.588 123.400 119.800 0.021 0.000 2.296 129 Q HA 0.524 4.864 4.340 0.000 0.000 0.257 129 Q C -0.320 175.700 176.000 0.034 0.000 0.942 129 Q CA -0.388 55.436 55.803 0.034 0.000 0.939 129 Q CB 2.274 31.032 28.738 0.034 0.000 1.198 129 Q HN 0.733 nan 8.270 nan 0.000 0.429 130 V N 0.041 119.979 119.914 0.041 0.000 2.630 130 V HA 0.347 4.467 4.120 0.000 0.000 0.305 130 V C -0.075 176.049 176.094 0.049 0.000 1.046 130 V CA -0.946 61.374 62.300 0.034 0.000 0.934 130 V CB 1.646 33.481 31.823 0.020 0.000 1.003 130 V HN 0.713 nan 8.190 nan 0.000 0.451 131 E N 3.201 123.426 120.200 0.041 0.000 1.999 131 E HA 0.552 4.902 4.350 0.000 0.000 0.296 131 E C 0.394 177.020 176.600 0.043 0.000 1.187 131 E CA 0.421 56.851 56.400 0.050 0.000 1.229 131 E CB 0.152 29.875 29.700 0.039 0.000 1.131 131 E HN 1.101 nan 8.360 nan 0.000 0.478 132 G N 1.559 110.389 108.800 0.050 0.000 2.488 132 G HA2 0.137 4.098 3.960 0.000 0.000 0.301 132 G HA3 0.137 4.098 3.960 0.000 0.000 0.301 132 G C -1.025 173.889 174.900 0.023 0.000 1.339 132 G CA -0.970 44.145 45.100 0.025 0.000 0.803 132 G HN 0.341 nan 8.290 nan 0.000 0.482 133 N N -1.334 117.359 118.700 -0.011 0.000 2.514 133 N HA 0.473 5.213 4.740 0.000 0.000 0.299 133 N C 1.141 176.688 175.510 0.061 0.000 1.292 133 N CA -0.545 52.497 53.050 -0.013 0.000 0.963 133 N CB 0.318 38.769 38.487 -0.060 0.000 1.124 133 N HN 0.435 nan 8.380 nan 0.000 0.580 134 F N 0.169 120.100 119.950 -0.031 0.000 2.102 134 F HA -0.105 4.422 4.527 -0.001 0.000 0.298 134 F C 1.408 177.211 175.800 0.005 0.000 1.105 134 F CA 1.701 59.700 58.000 -0.001 0.000 1.239 134 F CB -0.387 38.615 39.000 0.003 0.000 0.991 134 F HN 0.404 nan 8.300 nan 0.000 0.474 135 D N 0.222 120.603 120.400 -0.031 0.000 2.182 135 D HA -0.200 4.440 4.640 0.000 0.000 0.201 135 D C 1.602 177.800 176.300 -0.170 0.000 0.986 135 D CA 1.594 55.520 54.000 -0.124 0.000 0.847 135 D CB -0.370 40.451 40.800 0.034 0.000 0.942 135 D HN 0.443 nan 8.370 nan 0.000 0.467 136 D N 0.718 121.049 120.400 -0.115 0.000 2.162 136 D HA -0.022 4.618 4.640 0.000 0.000 0.203 136 D C 2.119 178.346 176.300 -0.122 0.000 0.967 136 D CA 0.687 54.635 54.000 -0.088 0.000 0.840 136 D CB -0.143 40.632 40.800 -0.042 0.000 0.972 136 D HN 0.109 nan 8.370 nan 0.000 0.482 137 A N 0.793 123.516 122.820 -0.163 0.000 2.015 137 A HA -0.088 4.232 4.320 0.000 0.000 0.219 137 A C 2.102 179.539 177.584 -0.244 0.000 1.163 137 A CA 0.660 52.603 52.037 -0.158 0.000 0.646 137 A CB -0.440 18.497 19.000 -0.105 0.000 0.806 137 A HN 0.178 nan 8.150 nan 0.000 0.448 138 L N -0.280 120.681 121.223 -0.438 0.000 2.027 138 L HA -0.025 4.315 4.340 0.000 0.000 0.206 138 L C 2.398 179.149 176.870 -0.198 0.000 1.074 138 L CA 2.261 56.852 54.840 -0.415 0.000 0.745 138 L CB -0.659 41.031 42.059 -0.614 0.000 0.898 138 L HN 0.432 nan 8.230 nan 0.000 0.433 139 R N -0.881 119.523 120.500 -0.160 0.000 2.073 139 R HA -0.124 4.216 4.340 0.000 0.000 0.234 139 R C 2.321 178.585 176.300 -0.061 0.000 1.134 139 R CA 1.715 57.763 56.100 -0.087 0.000 0.952 139 R CB -0.348 29.910 30.300 -0.069 0.000 0.850 139 R HN 0.402 nan 8.270 nan 0.000 0.433 140 L N -0.373 120.812 121.223 -0.063 0.000 2.012 140 L HA -0.205 4.135 4.340 0.000 0.000 0.210 140 L C 2.344 179.202 176.870 -0.020 0.000 1.073 140 L CA 1.884 56.704 54.840 -0.033 0.000 0.748 140 L CB -0.644 41.397 42.059 -0.031 0.000 0.891 140 L HN 0.301 nan 8.230 nan 0.000 0.431 141 T N -1.087 113.444 114.554 -0.039 0.000 2.833 141 T HA -0.197 4.153 4.350 0.000 0.000 0.269 141 T C 1.882 176.580 174.700 -0.003 0.000 1.054 141 T CA 1.062 63.150 62.100 -0.019 0.000 1.135 141 T CB -0.135 68.712 68.868 -0.035 0.000 0.869 141 T HN 0.390 nan 8.240 nan 0.000 0.466 142 Q N 0.485 120.274 119.800 -0.017 0.000 2.084 142 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 142 Q C 2.369 178.376 176.000 0.012 0.000 0.978 142 Q CA 0.870 56.671 55.803 -0.004 0.000 0.844 142 Q CB -0.060 28.668 28.738 -0.016 0.000 0.898 142 Q HN 0.368 nan 8.270 nan 0.000 0.426 143 K N 0.844 121.252 120.400 0.013 0.000 2.057 143 K HA -0.107 4.213 4.320 0.000 0.000 0.206 143 K C 2.057 178.695 176.600 0.063 0.000 1.050 143 K CA 0.551 56.853 56.287 0.025 0.000 0.935 143 K CB -0.689 31.822 32.500 0.019 0.000 0.715 143 K HN 0.128 nan 8.250 nan 0.000 0.439 144 L N 2.231 123.504 121.223 0.084 0.000 2.129 144 L HA -0.171 4.169 4.340 0.000 0.000 0.212 144 L C 2.056 179.042 176.870 0.193 0.000 1.087 144 L CA 2.214 57.151 54.840 0.162 0.000 0.757 144 L CB -0.954 41.161 42.059 0.093 0.000 0.896 144 L HN 0.428 nan 8.230 nan 0.000 0.434 145 T N -5.041 109.577 114.554 0.106 0.000 3.113 145 T HA 0.006 4.356 4.350 0.000 0.000 0.256 145 T C 1.373 176.117 174.700 0.074 0.000 1.131 145 T CA 0.907 63.063 62.100 0.095 0.000 1.074 145 T CB -0.253 68.648 68.868 0.055 0.000 0.944 145 T HN 0.520 nan 8.240 nan 0.000 0.516 146 E N 0.315 120.548 120.200 0.055 0.000 2.460 146 E HA 0.430 4.780 4.350 0.000 0.000 0.200 146 E C 2.076 178.658 176.600 -0.030 0.000 1.011 146 E CA 0.321 56.728 56.400 0.012 0.000 0.912 146 E CB 0.254 29.955 29.700 0.002 0.000 0.953 146 E HN 0.605 nan 8.360 nan 0.000 0.494 147 A N 0.494 123.299 122.820 -0.025 0.000 1.997 147 A HA 0.216 4.536 4.320 0.000 0.000 0.212 147 A C 0.394 177.662 177.584 -0.526 0.000 1.178 147 A CA 0.453 52.341 52.037 -0.248 0.000 0.698 147 A CB 0.243 19.126 19.000 -0.195 0.000 0.842 147 A HN 0.064 nan 8.150 nan 0.000 0.458 148 F N -0.788 119.162 119.950 0.001 0.000 2.579 148 F HA 0.464 4.991 4.527 0.000 0.000 0.324 148 F C -2.288 173.515 175.800 0.004 0.000 1.058 148 F CA -2.678 55.323 58.000 0.003 0.000 0.944 148 F CB 1.447 40.449 39.000 0.004 0.000 1.245 148 F HN -0.159 nan 8.300 nan 0.000 0.477 149 P HA 0.152 nan 4.420 nan 0.000 0.237 149 P C -0.973 176.390 177.300 0.105 0.000 1.788 149 P CA 0.306 63.468 63.100 0.103 0.000 1.061 149 P CB 0.187 31.933 31.700 0.076 0.000 1.967 150 V N 2.083 122.061 119.914 0.107 0.000 2.588 150 V HA 0.549 4.669 4.120 0.000 0.000 0.304 150 V C 0.391 176.521 176.094 0.060 0.000 1.042 150 V CA -1.189 61.158 62.300 0.078 0.000 0.877 150 V CB 2.017 33.888 31.823 0.079 0.000 0.996 150 V HN 0.406 nan 8.190 nan 0.000 0.425 151 A N 4.439 127.287 122.820 0.047 0.000 2.409 151 A HA 0.619 4.939 4.320 0.000 0.000 0.262 151 A C -0.509 177.098 177.584 0.039 0.000 1.113 151 A CA -0.184 51.879 52.037 0.044 0.000 0.790 151 A CB 0.285 19.311 19.000 0.044 0.000 1.046 151 A HN 0.851 nan 8.150 nan 0.000 0.496 152 L N 4.320 125.565 121.223 0.037 0.000 2.315 152 L HA 0.376 4.716 4.340 0.000 0.000 0.283 152 L C 0.759 177.648 176.870 0.031 0.000 1.089 152 L CA 0.397 55.256 54.840 0.031 0.000 0.833 152 L CB 1.197 43.271 42.059 0.025 0.000 1.170 152 L HN 0.657 nan 8.230 nan 0.000 0.442 153 V N 1.198 121.129 119.914 0.028 0.000 3.177 153 V HA 0.409 4.529 4.120 0.000 0.000 0.342 153 V C 0.690 176.799 176.094 0.026 0.000 1.379 153 V CA -0.517 61.797 62.300 0.024 0.000 1.191 153 V CB -1.208 30.621 31.823 0.010 0.000 1.167 153 V HN 0.800 nan 8.190 nan 0.000 0.471 154 N N 1.324 120.046 118.700 0.036 0.000 2.445 154 N HA 0.247 4.987 4.740 0.000 0.000 0.264 154 N C 1.559 177.101 175.510 0.053 0.000 1.227 154 N CA 0.581 53.664 53.050 0.056 0.000 0.963 154 N CB 1.261 39.787 38.487 0.065 0.000 1.188 154 N HN 0.379 nan 8.380 nan 0.000 0.491 155 S N -0.513 115.231 115.700 0.072 0.000 2.461 155 S HA -0.192 4.278 4.470 0.000 0.000 0.246 155 S C 1.760 176.390 174.600 0.051 0.000 1.007 155 S CA 0.917 59.157 58.200 0.066 0.000 0.976 155 S CB -0.515 62.740 63.200 0.091 0.000 0.763 155 S HN 0.442 nan 8.310 nan 0.000 0.508 156 V N 2.168 122.111 119.914 0.047 0.000 2.759 156 V HA -0.023 4.097 4.120 0.000 0.000 0.256 156 V C 0.863 176.959 176.094 0.004 0.000 1.080 156 V CA 1.324 63.642 62.300 0.029 0.000 1.101 156 V CB -0.942 30.897 31.823 0.026 0.000 0.698 156 V HN 0.626 nan 8.190 nan 0.000 0.477 157 N N 0.732 119.434 118.700 0.003 0.000 2.405 157 N HA 0.128 4.868 4.740 0.000 0.000 0.260 157 N C -1.581 173.897 175.510 -0.054 0.000 1.152 157 N CA -1.602 51.432 53.050 -0.025 0.000 0.948 157 N CB 1.471 39.965 38.487 0.013 0.000 1.111 157 N HN 0.162 nan 8.380 nan 0.000 0.485 158 P HA -0.194 nan 4.420 nan 0.000 0.218 158 P C 0.781 178.021 177.300 -0.101 0.000 1.152 158 P CA 1.406 64.419 63.100 -0.145 0.000 0.857 158 P CB 0.075 31.634 31.700 -0.235 0.000 0.787 159 H N -1.440 117.631 119.070 0.002 0.000 2.456 159 H HA -0.020 4.537 4.556 0.001 0.000 0.296 159 H C 2.109 177.427 175.328 -0.018 0.000 1.079 159 H CA 0.971 57.014 56.048 -0.007 0.000 1.322 159 H CB -0.285 29.470 29.762 -0.013 0.000 1.388 159 H HN 0.071 nan 8.280 nan 0.000 0.538 160 R N 0.696 121.248 120.500 0.087 0.000 2.070 160 R HA -0.058 4.282 4.340 0.000 0.000 0.233 160 R C 2.603 178.926 176.300 0.038 0.000 1.137 160 R CA 0.649 56.774 56.100 0.043 0.000 0.945 160 R CB -0.709 29.612 30.300 0.034 0.000 0.845 160 R HN 0.339 nan 8.270 nan 0.000 0.430 161 L N 0.725 121.969 121.223 0.035 0.000 2.141 161 L HA -0.101 4.239 4.340 0.000 0.000 0.209 161 L C 2.330 179.196 176.870 -0.008 0.000 1.094 161 L CA 0.942 55.795 54.840 0.022 0.000 0.763 161 L CB -0.489 41.583 42.059 0.022 0.000 0.908 161 L HN 0.099 nan 8.230 nan 0.000 0.437 162 E N 0.741 120.951 120.200 0.017 0.000 2.077 162 E HA -0.160 4.190 4.350 0.000 0.000 0.193 162 E C 2.196 178.786 176.600 -0.017 0.000 0.989 162 E CA 1.478 57.888 56.400 0.018 0.000 0.800 162 E CB -0.300 29.454 29.700 0.090 0.000 0.746 162 E HN 0.501 nan 8.360 nan 0.000 0.452 163 G N 0.893 109.693 108.800 -0.000 0.000 2.402 163 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 163 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 163 G C 1.478 176.336 174.900 -0.070 0.000 1.162 163 G CA 0.389 45.476 45.100 -0.022 0.000 0.777 163 G HN 0.263 nan 8.290 nan 0.000 0.539 164 Q N 0.389 120.159 119.800 -0.050 0.000 2.364 164 Q HA -0.045 4.295 4.340 0.000 0.000 0.207 164 Q C 2.372 178.232 176.000 -0.233 0.000 0.970 164 Q CA 1.171 56.946 55.803 -0.047 0.000 0.888 164 Q CB -0.091 28.702 28.738 0.091 0.000 0.951 164 Q HN 0.702 nan 8.270 nan 0.000 0.469 165 K N 0.551 120.751 120.400 -0.333 0.000 2.362 165 K HA -0.080 4.240 4.320 0.000 0.000 0.200 165 K C 1.782 177.702 176.600 -1.133 0.000 1.046 165 K CA 1.604 57.511 56.287 -0.633 0.000 0.952 165 K CB -0.332 31.834 32.500 -0.557 0.000 0.753 165 K HN 0.105 nan 8.250 nan 0.000 0.466 166 T N 0.015 114.059 114.554 -0.850 0.000 2.929 166 T HA -0.141 4.209 4.350 0.000 0.000 0.271 166 T C 1.832 176.099 174.700 -0.721 0.000 1.085 166 T CA 0.917 62.468 62.100 -0.916 0.000 1.125 166 T CB -0.335 68.307 68.868 -0.377 0.000 0.874 166 T HN 0.338 nan 8.240 nan 0.000 0.494 167 L N 0.680 121.550 121.223 -0.589 0.000 2.083 167 L HA 0.074 4.414 4.340 0.000 0.000 0.209 167 L C 2.886 179.427 176.870 -0.550 0.000 1.083 167 L CA 1.526 56.096 54.840 -0.450 0.000 0.752 167 L CB -0.706 41.081 42.059 -0.453 0.000 0.899 167 L HN 0.362 nan 8.230 nan 0.000 0.433 168 A N -0.345 121.932 122.820 -0.905 0.000 1.930 168 A HA -0.166 4.154 4.320 0.000 0.000 0.217 168 A C 2.060 179.218 177.584 -0.711 0.000 1.175 168 A CA 1.480 52.885 52.037 -1.052 0.000 0.627 168 A CB -1.021 16.973 19.000 -1.676 0.000 0.815 168 A HN 0.547 nan 8.150 nan 0.000 0.443 169 F N 0.032 119.463 119.950 -0.865 0.000 2.134 169 F HA -0.195 4.332 4.527 0.000 0.000 0.299 169 F C 2.549 178.159 175.800 -0.317 0.000 1.097 169 F CA 1.217 58.603 58.000 -1.023 0.000 1.264 169 F CB -0.241 38.027 39.000 -1.221 0.000 1.001 169 F HN 0.293 nan 8.300 nan 0.000 0.479 170 E N 0.195 120.397 120.200 0.003 0.000 2.106 170 E HA -0.152 4.199 4.350 0.000 0.000 0.192 170 E C 2.259 178.913 176.600 0.090 0.000 0.984 170 E CA 1.032 57.517 56.400 0.141 0.000 0.806 170 E CB -0.143 29.630 29.700 0.121 0.000 0.750 170 E HN 0.194 nan 8.360 nan 0.000 0.458 171 V N 0.679 120.608 119.914 0.025 0.000 2.358 171 V HA -0.212 3.909 4.120 0.000 0.000 0.246 171 V C 2.265 178.421 176.094 0.103 0.000 1.047 171 V CA 1.241 63.577 62.300 0.060 0.000 1.035 171 V CB -0.201 31.686 31.823 0.106 0.000 0.658 171 V HN 0.132 nan 8.190 nan 0.000 0.452 172 V N 0.052 120.063 119.914 0.161 0.000 2.358 172 V HA -0.213 3.907 4.120 0.000 0.000 0.246 172 V C 2.271 178.501 176.094 0.226 0.000 1.047 172 V CA 1.994 64.442 62.300 0.248 0.000 1.035 172 V CB -0.715 31.370 31.823 0.437 0.000 0.658 172 V HN 0.532 nan 8.190 nan 0.000 0.452 173 D N -0.115 120.448 120.400 0.271 0.000 2.158 173 D HA -0.224 4.416 4.640 0.000 0.000 0.197 173 D C 2.150 178.524 176.300 0.124 0.000 0.995 173 D CA 1.784 55.915 54.000 0.219 0.000 0.846 173 D CB -0.033 40.917 40.800 0.250 0.000 0.941 173 D HN 0.666 nan 8.370 nan 0.000 0.456 174 E N -0.252 120.007 120.200 0.098 0.000 2.140 174 E HA 0.011 4.361 4.350 0.000 0.000 0.191 174 E C 2.040 178.647 176.600 0.011 0.000 0.973 174 E CA 0.216 56.647 56.400 0.051 0.000 0.829 174 E CB 0.104 29.830 29.700 0.043 0.000 0.781 174 E HN 0.180 nan 8.360 nan 0.000 0.466 175 L N -1.025 120.194 121.223 -0.007 0.000 2.375 175 L HA 0.281 4.621 4.340 0.000 0.000 0.215 175 L C 1.713 178.585 176.870 0.004 0.000 1.108 175 L CA 0.645 55.453 54.840 -0.052 0.000 0.830 175 L CB 0.232 42.221 42.059 -0.116 0.000 0.959 175 L HN 0.504 nan 8.230 nan 0.000 0.457 176 G N -0.217 108.608 108.800 0.042 0.000 2.213 176 G HA2 -0.242 3.718 3.960 0.000 0.000 0.226 176 G HA3 -0.242 3.718 3.960 0.000 0.000 0.226 176 G C -0.117 174.816 174.900 0.056 0.000 0.992 176 G CA 0.265 45.391 45.100 0.044 0.000 0.632 176 G HN 0.394 nan 8.290 nan 0.000 0.511 177 D N -1.025 119.419 120.400 0.073 0.000 2.738 177 D HA 0.677 5.317 4.640 0.000 0.000 0.308 177 D C -0.057 176.316 176.300 0.121 0.000 1.311 177 D CA 0.610 54.663 54.000 0.088 0.000 0.799 177 D CB 0.577 41.402 40.800 0.040 0.000 1.332 177 D HN 0.956 nan 8.370 nan 0.000 0.441 178 A N 0.823 123.719 122.820 0.125 0.000 2.302 178 A HA 0.700 5.020 4.320 0.000 0.000 0.285 178 A C -2.297 175.287 177.584 0.000 0.000 1.105 178 A CA -0.883 51.230 52.037 0.125 0.000 0.816 178 A CB 0.323 19.353 19.000 0.049 0.000 1.067 178 A HN 0.417 nan 8.150 nan 0.000 0.489 179 P HA 0.185 nan 4.420 nan 0.000 0.276 179 P C -0.209 177.075 177.300 -0.026 0.000 1.261 179 P CA -0.038 63.090 63.100 0.047 0.000 0.800 179 P CB 0.492 32.241 31.700 0.081 0.000 1.066 180 H N -0.746 118.281 119.070 -0.072 0.000 2.389 180 H HA 0.009 4.565 4.556 0.000 0.000 0.299 180 H C 0.017 175.078 175.328 -0.446 0.000 1.081 180 H CA 1.834 57.704 56.048 -0.296 0.000 1.345 180 H CB -0.529 29.021 29.762 -0.352 0.000 1.393 180 H HN 0.422 nan 8.280 nan 0.000 0.520 181 Y N -1.830 118.552 120.300 0.137 0.000 2.524 181 Y HA 0.357 4.907 4.550 -0.000 0.000 0.347 181 Y C -0.692 175.280 175.900 0.120 0.000 1.005 181 Y CA -1.151 57.005 58.100 0.095 0.000 1.025 181 Y CB 1.656 40.172 38.460 0.093 0.000 1.275 181 Y HN 0.025 nan 8.280 nan 0.000 0.460 182 H N 1.160 120.357 119.070 0.212 0.000 2.906 182 H HA 0.786 5.343 4.556 0.001 0.000 0.324 182 H C -1.253 174.173 175.328 0.162 0.000 0.973 182 H CA -0.721 55.449 56.048 0.203 0.000 1.321 182 H CB 0.770 30.684 29.762 0.253 0.000 1.535 182 H HN 0.917 nan 8.280 nan 0.000 0.518 183 A N 5.546 128.619 122.820 0.421 0.000 2.306 183 A HA 0.699 5.019 4.320 0.000 0.000 0.314 183 A C -0.871 176.881 177.584 0.281 0.000 1.164 183 A CA -0.550 51.683 52.037 0.328 0.000 0.822 183 A CB 0.415 19.619 19.000 0.341 0.000 1.130 183 A HN 0.720 nan 8.150 nan 0.000 0.496 184 L N -0.704 120.607 121.223 0.147 0.000 2.775 184 L HA 0.773 5.114 4.340 0.000 0.000 0.263 184 L C -3.259 173.620 176.870 0.015 0.000 1.017 184 L CA -2.273 52.581 54.840 0.023 0.000 0.891 184 L CB 1.907 43.826 42.059 -0.234 0.000 1.482 184 L HN 0.344 nan 8.230 nan 0.000 0.410 185 P HA 0.397 nan 4.420 nan 0.000 0.276 185 P C -1.214 176.040 177.300 -0.077 0.000 1.244 185 P CA -0.419 62.690 63.100 0.015 0.000 0.801 185 P CB 1.464 33.187 31.700 0.038 0.000 1.006 186 V N 1.453 121.323 119.914 -0.075 0.000 2.443 186 V HA 0.548 4.668 4.120 0.000 0.000 0.293 186 V C 0.814 176.854 176.094 -0.091 0.000 1.021 186 V CA 0.024 62.254 62.300 -0.117 0.000 0.848 186 V CB 1.010 32.729 31.823 -0.174 0.000 0.998 186 V HN 0.819 nan 8.190 nan 0.000 0.424 187 G N 2.804 111.559 108.800 -0.076 0.000 2.529 187 G HA2 0.018 3.978 3.960 0.000 0.000 0.220 187 G HA3 0.018 3.978 3.960 0.000 0.000 0.220 187 G C 0.787 175.639 174.900 -0.081 0.000 1.976 187 G CA 0.283 45.326 45.100 -0.094 0.000 0.789 187 G HN 0.562 nan 8.290 nan 0.000 0.695 188 N N 0.443 119.107 118.700 -0.059 0.000 2.398 188 N HA 0.252 4.992 4.740 0.000 0.000 0.188 188 N C 1.336 176.873 175.510 0.043 0.000 1.122 188 N CA 1.186 54.264 53.050 0.046 0.000 0.866 188 N CB 0.222 38.780 38.487 0.118 0.000 0.970 188 N HN 0.685 nan 8.380 nan 0.000 0.462 189 A N -1.946 120.866 122.820 -0.014 0.000 3.396 189 A HA -0.191 4.129 4.320 0.000 0.000 0.267 189 A C 1.796 179.377 177.584 -0.004 0.000 1.139 189 A CA 1.493 53.505 52.037 -0.041 0.000 1.115 189 A CB -2.421 16.539 19.000 -0.067 0.000 1.133 189 A HN 0.435 nan 8.150 nan 0.000 0.920 190 G N -0.343 108.485 108.800 0.047 0.000 2.422 190 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 190 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 190 G C 1.186 176.120 174.900 0.057 0.000 1.146 190 G CA 1.601 46.742 45.100 0.069 0.000 0.769 190 G HN 0.693 nan 8.290 nan 0.000 0.547 191 N N 0.487 119.208 118.700 0.035 0.000 2.080 191 N HA -0.028 4.713 4.740 0.000 0.000 0.189 191 N C 2.133 177.528 175.510 -0.192 0.000 1.036 191 N CA 0.967 53.968 53.050 -0.081 0.000 0.846 191 N CB -0.302 37.963 38.487 -0.369 0.000 1.015 191 N HN 0.353 nan 8.380 nan 0.000 0.423 192 I N 0.144 120.560 120.570 -0.257 0.000 2.264 192 I HA -0.283 3.887 4.170 0.000 0.000 0.248 192 I C 1.399 177.489 176.117 -0.045 0.000 1.111 192 I CA 1.273 62.419 61.300 -0.256 0.000 1.382 192 I CB -0.354 37.503 38.000 -0.238 0.000 1.060 192 I HN 0.135 nan 8.210 nan 0.000 0.418 193 T N 1.177 115.728 114.554 -0.005 0.000 2.708 193 T HA -0.142 4.208 4.350 0.000 0.000 0.266 193 T C 1.960 176.723 174.700 0.106 0.000 1.037 193 T CA 1.495 63.641 62.100 0.076 0.000 1.146 193 T CB -0.449 68.453 68.868 0.056 0.000 0.865 193 T HN 0.580 nan 8.240 nan 0.000 0.435 194 A N 1.121 123.979 122.820 0.063 0.000 1.902 194 A HA -0.171 4.149 4.320 0.000 0.000 0.217 194 A C 1.999 179.569 177.584 -0.022 0.000 1.181 194 A CA 1.860 53.904 52.037 0.013 0.000 0.623 194 A CB -0.903 18.103 19.000 0.010 0.000 0.818 194 A HN 0.515 nan 8.150 nan 0.000 0.443 195 H N -1.890 117.094 119.070 -0.144 0.000 2.290 195 H HA -0.187 4.369 4.556 0.000 0.000 0.298 195 H C 1.828 177.172 175.328 0.027 0.000 1.087 195 H CA 1.784 57.724 56.048 -0.179 0.000 1.291 195 H CB -0.446 29.216 29.762 -0.166 0.000 1.369 195 H HN 0.736 nan 8.280 nan 0.000 0.492 196 W N 0.755 122.109 121.300 0.089 0.000 2.342 196 W HA -0.244 4.416 4.660 -0.001 0.000 0.297 196 W C 1.775 178.327 176.519 0.055 0.000 1.213 196 W CA 1.146 58.554 57.345 0.105 0.000 1.251 196 W CB -0.102 29.384 29.460 0.042 0.000 1.136 196 W HN 0.256 nan 8.180 nan 0.000 0.526 197 M N 0.172 119.755 119.600 -0.028 0.000 2.086 197 M HA -0.122 4.359 4.480 0.000 0.000 0.261 197 M C 2.457 178.637 176.300 -0.200 0.000 1.067 197 M CA 2.089 57.304 55.300 -0.142 0.000 1.116 197 M CB -1.252 31.303 32.600 -0.075 0.000 1.348 197 M HN -0.006 nan 8.290 nan 0.000 0.407 198 G N -0.808 107.793 108.800 -0.332 0.000 2.418 198 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 198 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 198 G C 1.262 176.006 174.900 -0.262 0.000 1.158 198 G CA 0.803 45.565 45.100 -0.564 0.000 0.771 198 G HN 0.422 nan 8.290 nan 0.000 0.545 199 Y N 0.667 120.848 120.300 -0.197 0.000 2.242 199 Y HA 0.013 4.563 4.550 -0.000 0.000 0.291 199 Y C 2.980 178.769 175.900 -0.185 0.000 1.137 199 Y CA 1.247 59.271 58.100 -0.127 0.000 1.181 199 Y CB 0.101 38.504 38.460 -0.096 0.000 0.989 199 Y HN 0.078 nan 8.280 nan 0.000 0.527 200 K N -0.149 120.073 120.400 -0.297 0.000 2.097 200 K HA -0.132 4.188 4.320 0.000 0.000 0.205 200 K C 2.321 178.911 176.600 -0.016 0.000 1.050 200 K CA 0.938 57.042 56.287 -0.306 0.000 0.938 200 K CB -0.249 31.933 32.500 -0.530 0.000 0.718 200 K HN 0.261 nan 8.250 nan 0.000 0.442 201 A N 0.491 123.339 122.820 0.048 0.000 1.898 201 A HA -0.167 4.154 4.320 0.000 0.000 0.216 201 A C 1.839 179.572 177.584 0.247 0.000 1.181 201 A CA 1.213 53.342 52.037 0.153 0.000 0.620 201 A CB -0.568 18.576 19.000 0.240 0.000 0.819 201 A HN 0.238 nan 8.150 nan 0.000 0.442 202 Y N -0.687 119.676 120.300 0.104 0.000 2.373 202 Y HA -0.108 4.442 4.550 -0.000 0.000 0.293 202 Y C 2.393 178.318 175.900 0.041 0.000 1.129 202 Y CA 0.945 59.071 58.100 0.043 0.000 1.226 202 Y CB -0.582 37.951 38.460 0.122 0.000 1.000 202 Y HN 0.597 nan 8.280 nan 0.000 0.549 203 H N -0.676 118.480 119.070 0.143 0.000 2.326 203 H HA -0.085 4.471 4.556 0.001 0.000 0.301 203 H C 2.087 177.416 175.328 0.001 0.000 1.081 203 H CA 1.363 57.440 56.048 0.047 0.000 1.334 203 H CB 0.031 29.796 29.762 0.004 0.000 1.385 203 H HN 0.265 nan 8.280 nan 0.000 0.504 204 A N 0.865 123.723 122.820 0.065 0.000 2.070 204 A HA -0.056 4.264 4.320 0.000 0.000 0.220 204 A C 2.517 180.060 177.584 -0.068 0.000 1.159 204 A CA 0.843 52.881 52.037 0.001 0.000 0.656 204 A CB -0.585 18.438 19.000 0.038 0.000 0.800 204 A HN 0.430 nan 8.150 nan 0.000 0.453 205 L N -1.419 119.757 121.223 -0.079 0.000 2.591 205 L HA 0.199 4.540 4.340 0.000 0.000 0.228 205 L C 1.593 178.358 176.870 -0.175 0.000 1.133 205 L CA 0.548 55.311 54.840 -0.128 0.000 0.880 205 L CB -0.007 41.953 42.059 -0.165 0.000 1.033 205 L HN 0.551 nan 8.230 nan 0.000 0.450 206 G N 0.401 109.082 108.800 -0.199 0.000 2.147 206 G HA2 -0.304 3.656 3.960 0.000 0.000 0.244 206 G HA3 -0.304 3.656 3.960 0.000 0.000 0.244 206 G C 0.829 175.612 174.900 -0.194 0.000 1.005 206 G CA 0.394 45.369 45.100 -0.209 0.000 0.713 206 G HN 0.410 nan 8.290 nan 0.000 0.515 207 K N -0.404 119.862 120.400 -0.223 0.000 2.367 207 K HA 0.528 4.848 4.320 0.000 0.000 0.194 207 K C 0.872 177.435 176.600 -0.061 0.000 1.027 207 K CA 0.796 56.937 56.287 -0.243 0.000 1.075 207 K CB 0.854 32.972 32.500 -0.637 0.000 0.845 207 K HN 0.752 nan 8.250 nan 0.000 0.529 208 A N 1.087 123.909 122.820 0.003 0.000 2.446 208 A HA 0.295 4.615 4.320 0.000 0.000 0.282 208 A C 0.298 177.931 177.584 0.082 0.000 1.102 208 A CA -0.688 51.416 52.037 0.112 0.000 0.737 208 A CB 1.102 20.267 19.000 0.276 0.000 1.212 208 A HN -0.172 nan 8.150 nan 0.000 0.434 209 K N 1.123 121.552 120.400 0.050 0.000 2.025 209 K HA -0.084 4.236 4.320 0.000 0.000 0.207 209 K C 1.055 177.765 176.600 0.183 0.000 1.049 209 K CA 1.503 57.820 56.287 0.050 0.000 0.933 209 K CB -0.125 32.383 32.500 0.013 0.000 0.714 209 K HN 0.883 nan 8.250 nan 0.000 0.438 210 R N 0.408 120.970 120.500 0.102 0.000 2.536 210 R HA 0.421 4.761 4.340 0.000 0.000 0.279 210 R C -0.452 175.861 176.300 0.022 0.000 1.001 210 R CA -0.478 55.639 56.100 0.029 0.000 1.027 210 R CB 0.656 30.884 30.300 -0.120 0.000 1.096 210 R HN -0.126 nan 8.270 nan 0.000 0.502 211 L N 3.735 124.915 121.223 -0.072 0.000 2.280 211 L HA 0.462 4.802 4.340 0.000 0.000 0.287 211 L C -1.836 175.009 176.870 -0.043 0.000 1.023 211 L CA -2.362 52.439 54.840 -0.064 0.000 0.819 211 L CB 1.838 43.856 42.059 -0.068 0.000 1.212 211 L HN 0.646 nan 8.230 nan 0.000 0.420 212 P HA 0.141 nan 4.420 nan 0.000 0.272 212 P C -0.959 176.295 177.300 -0.076 0.000 1.240 212 P CA -0.493 62.503 63.100 -0.173 0.000 0.791 212 P CB 0.808 32.300 31.700 -0.346 0.000 0.978 213 R N 1.390 121.822 120.500 -0.113 0.000 2.254 213 R HA 0.385 4.725 4.340 0.000 0.000 0.318 213 R C 0.188 176.475 176.300 -0.023 0.000 1.031 213 R CA -0.701 55.343 56.100 -0.093 0.000 0.905 213 R CB 0.517 30.806 30.300 -0.018 0.000 1.050 213 R HN 0.442 nan 8.270 nan 0.000 0.456 214 M N 4.780 124.284 119.600 -0.160 0.000 2.146 214 M HA 0.217 4.698 4.480 0.000 0.000 0.352 214 M C -0.386 175.828 176.300 -0.143 0.000 1.343 214 M CA -0.109 55.117 55.300 -0.124 0.000 1.115 214 M CB 0.488 32.936 32.600 -0.254 0.000 1.657 214 M HN 0.424 nan 8.290 nan 0.000 0.471 215 L N 3.463 124.637 121.223 -0.082 0.000 2.313 215 L HA 0.532 4.872 4.340 0.000 0.000 0.273 215 L C 0.744 177.309 176.870 -0.509 0.000 1.028 215 L CA -0.666 54.029 54.840 -0.241 0.000 0.871 215 L CB 0.936 43.026 42.059 0.051 0.000 1.242 215 L HN 0.777 nan 8.230 nan 0.000 0.434 216 G N 2.333 110.714 108.800 -0.698 0.000 2.348 216 G HA2 0.661 4.621 3.960 0.000 0.000 0.312 216 G HA3 0.661 4.621 3.960 0.000 0.000 0.312 216 G C -1.107 173.214 174.900 -0.965 0.000 1.126 216 G CA -0.203 44.520 45.100 -0.628 0.000 0.865 216 G HN 0.288 nan 8.290 nan 0.000 0.474 217 F N 0.075 119.975 119.950 -0.083 0.000 2.540 217 F HA 0.470 4.998 4.527 0.002 0.000 0.317 217 F C 0.394 176.155 175.800 -0.066 0.000 1.104 217 F CA -0.770 57.193 58.000 -0.063 0.000 0.913 217 F CB 2.472 41.451 39.000 -0.034 0.000 1.170 217 F HN 0.268 nan 8.300 nan 0.000 0.450 218 Q N 1.498 121.357 119.800 0.098 0.000 2.387 218 Q HA 0.755 5.096 4.340 0.000 0.000 0.273 218 Q C -0.773 175.256 176.000 0.049 0.000 1.089 218 Q CA -1.418 54.403 55.803 0.029 0.000 0.824 218 Q CB 2.728 31.441 28.738 -0.041 0.000 1.367 218 Q HN 0.776 nan 8.270 nan 0.000 0.443 219 A N 0.756 123.591 122.820 0.026 0.000 2.462 219 A HA 0.405 4.725 4.320 0.000 0.000 0.243 219 A C 1.050 178.644 177.584 0.016 0.000 1.076 219 A CA 0.552 52.604 52.037 0.024 0.000 0.773 219 A CB 0.313 19.321 19.000 0.014 0.000 1.010 219 A HN 0.930 nan 8.150 nan 0.000 0.493 220 A N 2.405 125.237 122.820 0.019 0.000 1.986 220 A HA 0.024 4.344 4.320 0.000 0.000 0.220 220 A C 1.941 179.531 177.584 0.010 0.000 1.171 220 A CA 2.099 54.144 52.037 0.014 0.000 0.640 220 A CB -0.822 18.187 19.000 0.014 0.000 0.811 220 A HN 1.491 nan 8.150 nan 0.000 0.451 221 G N -2.126 106.680 108.800 0.010 0.000 3.088 221 G HA2 0.403 4.364 3.960 0.000 0.000 0.212 221 G HA3 0.403 4.364 3.960 0.000 0.000 0.212 221 G C 0.405 175.307 174.900 0.004 0.000 1.173 221 G CA 0.801 45.906 45.100 0.009 0.000 0.779 221 G HN 1.196 nan 8.290 nan 0.000 0.540 222 A N -0.317 122.503 122.820 0.000 0.000 3.455 222 A HA 0.681 5.001 4.320 0.000 0.000 0.225 222 A C 0.296 177.869 177.584 -0.019 0.000 1.052 222 A CA 0.311 52.345 52.037 -0.006 0.000 1.005 222 A CB 0.088 19.081 19.000 -0.011 0.000 1.318 222 A HN 0.750 nan 8.150 nan 0.000 0.639 223 A N 1.579 124.388 122.820 -0.019 0.000 3.215 223 A HA 0.641 4.961 4.320 0.000 0.000 0.320 223 A C -1.143 176.403 177.584 -0.063 0.000 1.084 223 A CA -1.055 50.954 52.037 -0.047 0.000 0.969 223 A CB 0.051 19.034 19.000 -0.029 0.000 1.064 223 A HN 0.316 nan 8.150 nan 0.000 0.513 224 P HA -0.182 nan 4.420 nan 0.000 0.215 224 P C 1.322 178.473 177.300 -0.250 0.000 1.153 224 P CA 0.974 64.043 63.100 -0.053 0.000 0.853 224 P CB 0.127 31.837 31.700 0.017 0.000 0.788 225 L N -1.048 119.882 121.223 -0.489 0.000 2.465 225 L HA -0.045 4.295 4.340 0.000 0.000 0.224 225 L C 2.374 179.078 176.870 -0.277 0.000 1.145 225 L CA 0.563 55.041 54.840 -0.604 0.000 0.834 225 L CB -0.392 41.288 42.059 -0.633 0.000 0.944 225 L HN -0.149 nan 8.230 nan 0.000 0.451 226 V N -0.941 118.873 119.914 -0.166 0.000 2.949 226 V HA -0.050 4.070 4.120 0.000 0.000 0.245 226 V C 1.990 178.065 176.094 -0.033 0.000 1.086 226 V CA 0.691 62.937 62.300 -0.091 0.000 1.097 226 V CB 0.305 32.088 31.823 -0.066 0.000 0.762 226 V HN 0.306 nan 8.190 nan 0.000 0.470 227 L N 0.421 121.641 121.223 -0.005 0.000 2.209 227 L HA 0.315 4.655 4.340 0.000 0.000 0.207 227 L C 1.832 178.749 176.870 0.078 0.000 1.094 227 L CA 1.210 56.072 54.840 0.036 0.000 0.790 227 L CB -0.320 41.769 42.059 0.050 0.000 0.932 227 L HN 0.529 nan 8.230 nan 0.000 0.447 228 G N 0.986 109.867 108.800 0.134 0.000 2.144 228 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 228 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 228 G C 0.192 175.297 174.900 0.341 0.000 0.988 228 G CA 0.114 45.358 45.100 0.239 0.000 0.659 228 G HN 0.496 nan 8.290 nan 0.000 0.522 229 R N -1.472 119.254 120.500 0.376 0.000 2.663 229 R HA 0.624 4.964 4.340 0.000 0.000 0.267 229 R C -3.423 173.099 176.300 0.370 0.000 1.038 229 R CA -1.928 54.349 56.100 0.295 0.000 0.886 229 R CB 0.626 30.996 30.300 0.117 0.000 1.249 229 R HN 0.015 nan 8.270 nan 0.000 0.463 230 P HA -0.011 nan 4.420 nan 0.000 0.266 230 P C -0.783 176.608 177.300 0.153 0.000 1.193 230 P CA -0.341 62.911 63.100 0.254 0.000 0.770 230 P CB 0.568 32.336 31.700 0.114 0.000 0.836 231 V N 3.117 123.110 119.914 0.132 0.000 2.313 231 V HA 0.097 4.217 4.120 0.000 0.000 0.278 231 V C 1.468 177.596 176.094 0.056 0.000 1.017 231 V CA -0.036 62.310 62.300 0.076 0.000 0.823 231 V CB 0.721 32.579 31.823 0.058 0.000 1.010 231 V HN 0.671 nan 8.190 nan 0.000 0.443 232 E N 4.333 124.557 120.200 0.040 0.000 2.153 232 E HA -0.091 4.260 4.350 0.000 0.000 0.194 232 E C 0.587 177.193 176.600 0.010 0.000 0.988 232 E CA 0.782 57.197 56.400 0.024 0.000 0.811 232 E CB 0.325 30.034 29.700 0.016 0.000 0.746 232 E HN 0.509 nan 8.360 nan 0.000 0.466 233 R N 1.547 122.051 120.500 0.006 0.000 2.868 233 R HA 0.287 4.627 4.340 0.000 0.000 0.289 233 R C -2.464 173.825 176.300 -0.017 0.000 1.443 233 R CA -1.620 54.473 56.100 -0.012 0.000 1.651 233 R CB 0.924 31.220 30.300 -0.006 0.000 1.242 233 R HN 0.189 nan 8.270 nan 0.000 0.621 234 P HA 0.102 nan 4.420 nan 0.000 0.271 234 P C -0.393 176.879 177.300 -0.046 0.000 1.216 234 P CA 0.238 63.326 63.100 -0.020 0.000 0.776 234 P CB 1.201 32.896 31.700 -0.009 0.000 0.881 235 E N 0.744 120.933 120.200 -0.019 0.000 2.308 235 E HA 0.598 4.948 4.350 0.000 0.000 0.275 235 E C -0.702 175.909 176.600 0.018 0.000 0.890 235 E CA -0.423 55.976 56.400 -0.003 0.000 0.754 235 E CB 2.592 32.301 29.700 0.015 0.000 1.207 235 E HN 0.494 nan 8.360 nan 0.000 0.426 236 T N 0.413 114.991 114.554 0.040 0.000 3.230 236 T HA 0.115 4.466 4.350 0.000 0.000 0.390 236 T C 0.054 174.786 174.700 0.053 0.000 1.761 236 T CA -0.530 61.592 62.100 0.037 0.000 1.129 236 T CB 0.248 69.127 68.868 0.018 0.000 1.583 236 T HN 0.356 nan 8.240 nan 0.000 0.480 237 L N 2.478 123.720 121.223 0.031 0.000 2.362 237 L HA 0.597 4.937 4.340 0.000 0.000 0.219 237 L C 1.572 178.441 176.870 -0.002 0.000 1.134 237 L CA 1.632 56.482 54.840 0.018 0.000 0.807 237 L CB -0.824 41.229 42.059 -0.009 0.000 0.927 237 L HN 0.663 nan 8.230 nan 0.000 0.447 238 A N 0.511 123.328 122.820 -0.007 0.000 3.056 238 A HA 0.366 4.686 4.320 0.000 0.000 0.274 238 A C 1.630 179.217 177.584 0.006 0.000 1.661 238 A CA 0.285 52.311 52.037 -0.017 0.000 1.363 238 A CB -1.267 17.724 19.000 -0.015 0.000 1.139 238 A HN 0.550 nan 8.150 nan 0.000 0.598 239 T N -1.541 113.030 114.554 0.028 0.000 2.849 239 T HA -0.187 4.163 4.350 0.000 0.000 0.270 239 T C 1.802 176.508 174.700 0.009 0.000 1.066 239 T CA 1.508 63.643 62.100 0.058 0.000 1.130 239 T CB -0.369 68.569 68.868 0.116 0.000 0.864 239 T HN 0.771 nan 8.240 nan 0.000 0.481 240 A N 2.380 125.193 122.820 -0.011 0.000 1.986 240 A HA 0.095 4.415 4.320 0.000 0.000 0.220 240 A C 2.175 179.700 177.584 -0.098 0.000 1.171 240 A CA 1.471 53.482 52.037 -0.044 0.000 0.640 240 A CB -0.809 18.183 19.000 -0.013 0.000 0.811 240 A HN 0.937 nan 8.150 nan 0.000 0.451 241 I N -4.453 116.075 120.570 -0.069 0.000 3.762 241 I HA 0.373 4.543 4.170 0.000 0.000 0.333 241 I C 0.701 176.772 176.117 -0.077 0.000 1.566 241 I CA -0.413 60.831 61.300 -0.092 0.000 1.129 241 I CB 0.160 38.131 38.000 -0.048 0.000 1.218 241 I HN 0.064 nan 8.210 nan 0.000 0.456 242 R N 2.628 123.087 120.500 -0.069 0.000 4.576 242 R HA 0.436 4.776 4.340 0.000 0.000 0.185 242 R C -0.812 175.468 176.300 -0.033 0.000 1.837 242 R CA -0.023 56.052 56.100 -0.041 0.000 1.520 242 R CB -0.222 30.062 30.300 -0.027 0.000 1.403 242 R HN 0.505 nan 8.270 nan 0.000 0.831 243 I N 0.278 120.828 120.570 -0.032 0.000 2.406 243 I HA 0.274 4.444 4.170 0.000 0.000 0.290 243 I C 1.028 177.183 176.117 0.063 0.000 0.999 243 I CA -0.655 60.672 61.300 0.044 0.000 1.124 243 I CB 2.251 40.228 38.000 -0.039 0.000 1.289 243 I HN 0.385 nan 8.210 nan 0.000 0.441 244 G N 3.550 112.418 108.800 0.112 0.000 2.921 244 G HA2 -0.026 3.934 3.960 0.000 0.000 0.213 244 G HA3 -0.026 3.934 3.960 0.000 0.000 0.213 244 G C 0.355 175.364 174.900 0.182 0.000 1.143 244 G CA 0.117 45.281 45.100 0.108 0.000 0.764 244 G HN 0.544 nan 8.290 nan 0.000 0.542 245 N N 0.910 119.740 118.700 0.217 0.000 2.725 245 N HA 0.297 5.037 4.740 0.000 0.000 0.248 245 N C -2.874 172.821 175.510 0.309 0.000 1.402 245 N CA -1.474 51.757 53.050 0.302 0.000 0.766 245 N CB 1.726 40.331 38.487 0.197 0.000 1.223 245 N HN -0.097 nan 8.380 nan 0.000 0.515 246 P HA 0.036 nan 4.420 nan 0.000 0.263 246 P C 0.549 178.016 177.300 0.278 0.000 1.195 246 P CA 0.037 63.271 63.100 0.223 0.000 0.762 246 P CB 1.303 33.027 31.700 0.040 0.000 0.799 247 A N 4.199 127.151 122.820 0.220 0.000 1.883 247 A HA -0.127 4.193 4.320 0.000 0.000 0.217 247 A C 1.894 179.581 177.584 0.171 0.000 1.186 247 A CA 1.546 53.688 52.037 0.176 0.000 0.624 247 A CB -1.119 17.967 19.000 0.143 0.000 0.822 247 A HN 0.558 nan 8.150 nan 0.000 0.444 248 S N -0.587 115.200 115.700 0.146 0.000 2.768 248 S HA 0.002 4.472 4.470 0.000 0.000 0.246 248 S C 0.865 175.556 174.600 0.152 0.000 1.006 248 S CA -0.526 57.748 58.200 0.123 0.000 1.075 248 S CB -0.509 62.736 63.200 0.076 0.000 0.786 248 S HN 0.629 nan 8.310 nan 0.000 0.468 249 W N 2.765 124.073 121.300 0.014 0.000 2.290 249 W HA -0.270 4.389 4.660 -0.001 0.000 0.328 249 W C 1.444 177.959 176.519 -0.007 0.000 1.272 249 W CA 1.877 59.223 57.345 0.001 0.000 1.262 249 W CB -0.481 28.982 29.460 0.004 0.000 1.151 249 W HN 0.399 nan 8.180 nan 0.000 0.473 250 Q N -0.594 119.430 119.800 0.374 0.000 2.119 250 Q HA -0.087 4.254 4.340 0.000 0.000 0.201 250 Q C 2.459 178.535 176.000 0.127 0.000 0.972 250 Q CA 1.787 57.734 55.803 0.239 0.000 0.847 250 Q CB -1.419 27.412 28.738 0.155 0.000 0.903 250 Q HN 0.446 nan 8.270 nan 0.000 0.433 251 G N 1.073 109.935 108.800 0.104 0.000 2.446 251 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 251 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 251 G C 1.576 176.491 174.900 0.026 0.000 1.168 251 G CA 1.422 46.566 45.100 0.073 0.000 0.771 251 G HN 0.467 nan 8.290 nan 0.000 0.551 252 A N 0.054 122.858 122.820 -0.027 0.000 1.873 252 A HA 0.109 4.429 4.320 0.000 0.000 0.215 252 A C 2.616 180.115 177.584 -0.141 0.000 1.186 252 A CA 1.840 53.806 52.037 -0.117 0.000 0.616 252 A CB -0.641 18.244 19.000 -0.192 0.000 0.823 252 A HN 0.287 nan 8.150 nan 0.000 0.442 253 V N 0.325 120.182 119.914 -0.095 0.000 2.332 253 V HA -0.283 3.837 4.120 0.000 0.000 0.248 253 V C 2.644 178.696 176.094 -0.070 0.000 1.055 253 V CA 2.378 64.636 62.300 -0.070 0.000 1.038 253 V CB -0.920 30.932 31.823 0.047 0.000 0.651 253 V HN 0.690 nan 8.190 nan 0.000 0.450 254 R N 0.465 120.949 120.500 -0.027 0.000 2.066 254 R HA -0.140 4.200 4.340 0.000 0.000 0.232 254 R C 2.359 178.583 176.300 -0.126 0.000 1.131 254 R CA 1.671 57.763 56.100 -0.013 0.000 0.955 254 R CB -0.532 29.810 30.300 0.069 0.000 0.851 254 R HN 0.446 nan 8.270 nan 0.000 0.432 255 A N 1.605 124.311 122.820 -0.190 0.000 1.908 255 A HA -0.245 4.075 4.320 0.000 0.000 0.218 255 A C 2.132 179.272 177.584 -0.739 0.000 1.181 255 A CA 1.841 53.519 52.037 -0.598 0.000 0.627 255 A CB -0.625 18.195 19.000 -0.300 0.000 0.818 255 A HN 0.468 nan 8.150 nan 0.000 0.445 256 K N -0.241 119.907 120.400 -0.420 0.000 1.991 256 K HA -0.224 4.096 4.320 0.000 0.000 0.212 256 K C 1.986 178.388 176.600 -0.330 0.000 1.049 256 K CA 1.875 57.945 56.287 -0.361 0.000 0.932 256 K CB -0.282 32.067 32.500 -0.252 0.000 0.717 256 K HN 0.627 nan 8.250 nan 0.000 0.441 257 E N 0.378 120.439 120.200 -0.232 0.000 2.038 257 E HA -0.214 4.136 4.350 0.000 0.000 0.195 257 E C 2.092 178.596 176.600 -0.159 0.000 1.000 257 E CA 1.759 58.068 56.400 -0.153 0.000 0.803 257 E CB -0.039 29.614 29.700 -0.079 0.000 0.750 257 E HN 0.432 nan 8.360 nan 0.000 0.448 258 E N 0.416 120.511 120.200 -0.175 0.000 2.077 258 E HA -0.158 4.192 4.350 0.000 0.000 0.193 258 E C 2.234 178.750 176.600 -0.139 0.000 0.989 258 E CA 1.467 57.844 56.400 -0.039 0.000 0.800 258 E CB -0.080 29.777 29.700 0.261 0.000 0.746 258 E HN 0.200 nan 8.360 nan 0.000 0.452 259 S N -0.589 114.715 115.700 -0.660 0.000 2.489 259 S HA 0.093 4.563 4.470 0.000 0.000 0.228 259 S C 1.630 176.051 174.600 -0.299 0.000 0.995 259 S CA 0.451 58.245 58.200 -0.676 0.000 0.934 259 S CB 0.324 62.754 63.200 -1.283 0.000 0.771 259 S HN 0.379 nan 8.310 nan 0.000 0.522 260 G N 0.520 109.171 108.800 -0.248 0.000 2.160 260 G HA2 -0.048 3.913 3.960 0.000 0.000 0.244 260 G HA3 -0.048 3.913 3.960 0.000 0.000 0.244 260 G C 0.393 175.214 174.900 -0.131 0.000 1.022 260 G CA 0.052 45.067 45.100 -0.142 0.000 0.741 260 G HN 1.019 nan 8.290 nan 0.000 0.508 261 G N -1.579 107.101 108.800 -0.199 0.000 2.641 261 G HA2 0.954 4.914 3.960 0.000 0.000 0.239 261 G HA3 0.954 4.914 3.960 0.000 0.000 0.239 261 G C 0.210 175.015 174.900 -0.157 0.000 1.402 261 G CA 0.568 45.574 45.100 -0.156 0.000 1.046 261 G HN 1.710 nan 8.290 nan 0.000 0.565 262 V N -3.317 116.480 119.914 -0.195 0.000 3.206 262 V HA 0.775 4.895 4.120 0.000 0.000 0.305 262 V C -1.085 174.805 176.094 -0.340 0.000 1.257 262 V CA -1.125 61.045 62.300 -0.216 0.000 1.057 262 V CB 1.953 33.684 31.823 -0.153 0.000 1.075 262 V HN 0.629 nan 8.190 nan 0.000 0.443 263 I N 1.463 121.849 120.570 -0.307 0.000 2.560 263 I HA 0.543 4.713 4.170 0.000 0.000 0.278 263 I C -0.323 175.641 176.117 -0.254 0.000 1.089 263 I CA -0.050 61.033 61.300 -0.361 0.000 1.086 263 I CB 1.581 39.402 38.000 -0.297 0.000 1.202 263 I HN 0.824 nan 8.210 nan 0.000 0.471 264 E N 3.478 123.524 120.200 -0.257 0.000 2.334 264 E HA 0.848 5.198 4.350 0.000 0.000 0.256 264 E C -0.685 175.976 176.600 0.101 0.000 0.958 264 E CA -1.066 55.322 56.400 -0.020 0.000 0.821 264 E CB 2.346 32.110 29.700 0.106 0.000 1.269 264 E HN 0.542 nan 8.360 nan 0.000 0.413 265 A N 0.632 123.521 122.820 0.114 0.000 2.337 265 A HA 0.639 4.959 4.320 0.000 0.000 0.329 265 A C -0.673 176.975 177.584 0.107 0.000 1.146 265 A CA -0.650 51.448 52.037 0.102 0.000 0.800 265 A CB 0.899 19.923 19.000 0.040 0.000 1.220 265 A HN 0.328 nan 8.150 nan 0.000 0.472 266 V N -0.072 119.893 119.914 0.085 0.000 2.680 266 V HA 0.827 4.947 4.120 0.000 0.000 0.309 266 V C 0.265 176.374 176.094 0.024 0.000 1.052 266 V CA -0.215 62.104 62.300 0.033 0.000 0.908 266 V CB 0.941 32.764 31.823 -0.001 0.000 1.001 266 V HN 1.152 nan 8.190 nan 0.000 0.431 267 T N -0.788 113.771 114.554 0.008 0.000 2.828 267 T HA 0.223 4.573 4.350 0.000 0.000 0.290 267 T C 0.588 175.298 174.700 0.016 0.000 1.019 267 T CA 0.087 62.191 62.100 0.008 0.000 1.031 267 T CB 0.860 69.726 68.868 -0.002 0.000 1.001 267 T HN 0.698 nan 8.240 nan 0.000 0.531 268 D N -0.164 120.246 120.400 0.017 0.000 2.178 268 D HA -0.098 4.542 4.640 0.000 0.000 0.201 268 D C 1.860 178.178 176.300 0.030 0.000 0.980 268 D CA 1.119 55.130 54.000 0.019 0.000 0.842 268 D CB -0.141 40.668 40.800 0.014 0.000 0.948 268 D HN 0.862 nan 8.370 nan 0.000 0.472 269 E N 0.743 120.961 120.200 0.029 0.000 2.047 269 E HA -0.187 4.163 4.350 0.000 0.000 0.191 269 E C 1.589 178.231 176.600 0.071 0.000 0.987 269 E CA 0.873 57.300 56.400 0.044 0.000 0.799 269 E CB 0.109 29.821 29.700 0.019 0.000 0.752 269 E HN 0.331 nan 8.360 nan 0.000 0.449 270 E N 0.401 120.622 120.200 0.034 0.000 2.110 270 E HA -0.179 4.171 4.350 0.000 0.000 0.193 270 E C 2.244 178.923 176.600 0.132 0.000 0.988 270 E CA 1.054 57.475 56.400 0.036 0.000 0.804 270 E CB -0.095 29.590 29.700 -0.026 0.000 0.745 270 E HN 0.377 nan 8.360 nan 0.000 0.458 271 I N 1.002 121.633 120.570 0.101 0.000 2.179 271 I HA -0.295 3.875 4.170 0.000 0.000 0.242 271 I C 2.339 178.565 176.117 0.181 0.000 1.088 271 I CA 1.104 62.476 61.300 0.119 0.000 1.357 271 I CB -0.174 37.858 38.000 0.053 0.000 1.051 271 I HN 0.112 nan 8.210 nan 0.000 0.409 272 L N -0.508 120.805 121.223 0.150 0.000 2.131 272 L HA -0.238 4.102 4.340 0.000 0.000 0.210 272 L C 2.505 179.545 176.870 0.283 0.000 1.092 272 L CA 1.245 56.209 54.840 0.206 0.000 0.759 272 L CB -0.546 41.594 42.059 0.135 0.000 0.903 272 L HN 0.241 nan 8.230 nan 0.000 0.435 273 F N 0.753 120.760 119.950 0.096 0.000 2.113 273 F HA -0.155 4.372 4.527 0.000 0.000 0.297 273 F C 2.424 178.294 175.800 0.117 0.000 1.103 273 F CA 1.262 59.287 58.000 0.042 0.000 1.248 273 F CB -0.198 38.747 39.000 -0.092 0.000 0.999 273 F HN -0.030 nan 8.300 nan 0.000 0.475 274 A N -0.620 122.456 122.820 0.426 0.000 1.969 274 A HA -0.205 4.115 4.320 0.000 0.000 0.218 274 A C 2.074 179.873 177.584 0.357 0.000 1.169 274 A CA 1.463 53.797 52.037 0.496 0.000 0.635 274 A CB -1.618 17.676 19.000 0.490 0.000 0.810 274 A HN 0.648 nan 8.150 nan 0.000 0.445 275 Y N 0.582 120.975 120.300 0.155 0.000 2.097 275 Y HA -0.233 4.317 4.550 0.000 0.000 0.282 275 Y C 2.495 178.440 175.900 0.075 0.000 1.152 275 Y CA 2.286 60.457 58.100 0.120 0.000 1.136 275 Y CB -0.418 38.111 38.460 0.115 0.000 0.975 275 Y HN 0.302 nan 8.280 nan 0.000 0.498 276 R N -1.038 119.448 120.500 -0.024 0.000 2.075 276 R HA -0.235 4.106 4.340 0.000 0.000 0.232 276 R C 2.336 178.508 176.300 -0.213 0.000 1.126 276 R CA 1.683 57.660 56.100 -0.205 0.000 0.963 276 R CB -0.981 29.219 30.300 -0.167 0.000 0.858 276 R HN 0.541 nan 8.270 nan 0.000 0.435 277 Y N 1.492 121.623 120.300 -0.281 0.000 2.128 277 Y HA -0.241 4.309 4.550 0.000 0.000 0.284 277 Y C 1.896 177.737 175.900 -0.098 0.000 1.154 277 Y CA 1.877 59.853 58.100 -0.206 0.000 1.149 277 Y CB -0.493 37.925 38.460 -0.070 0.000 0.976 277 Y HN 0.044 nan 8.280 nan 0.000 0.505 278 L N -0.285 120.769 121.223 -0.282 0.000 2.046 278 L HA -0.213 4.127 4.340 0.000 0.000 0.208 278 L C 2.787 179.456 176.870 -0.336 0.000 1.077 278 L CA 1.319 55.945 54.840 -0.356 0.000 0.747 278 L CB -0.937 41.062 42.059 -0.100 0.000 0.896 278 L HN 0.372 nan 8.230 nan 0.000 0.432 279 A N -0.300 122.356 122.820 -0.272 0.000 1.874 279 A HA -0.176 4.144 4.320 0.000 0.000 0.214 279 A C 2.400 179.817 177.584 -0.278 0.000 1.189 279 A CA 1.376 53.257 52.037 -0.259 0.000 0.615 279 A CB -0.409 18.395 19.000 -0.326 0.000 0.830 279 A HN 0.275 nan 8.150 nan 0.000 0.443 280 R N -0.516 119.809 120.500 -0.291 0.000 2.093 280 R HA -0.043 4.298 4.340 0.000 0.000 0.224 280 R C 1.698 177.856 176.300 -0.236 0.000 1.101 280 R CA 1.462 57.418 56.100 -0.241 0.000 0.979 280 R CB 0.022 30.194 30.300 -0.213 0.000 0.877 280 R HN 0.552 nan 8.270 nan 0.000 0.441 281 E N -0.601 119.395 120.200 -0.340 0.000 2.290 281 E HA -0.018 4.332 4.350 0.000 0.000 0.197 281 E C 1.079 177.473 176.600 -0.343 0.000 0.948 281 E CA 0.383 56.586 56.400 -0.329 0.000 0.895 281 E CB 0.510 29.970 29.700 -0.399 0.000 0.865 281 E HN 0.304 nan 8.360 nan 0.000 0.486 282 E N 0.011 119.952 120.200 -0.431 0.000 2.473 282 E HA 0.115 4.466 4.350 0.000 0.000 0.204 282 E C 0.994 177.460 176.600 -0.223 0.000 0.994 282 E CA 0.500 56.713 56.400 -0.311 0.000 0.945 282 E CB 1.149 30.637 29.700 -0.353 0.000 0.990 282 E HN 0.311 nan 8.360 nan 0.000 0.493 283 G N 1.995 110.664 108.800 -0.219 0.000 2.143 283 G HA2 -0.220 3.740 3.960 0.000 0.000 0.248 283 G HA3 -0.220 3.740 3.960 0.000 0.000 0.248 283 G C 0.152 174.961 174.900 -0.152 0.000 0.991 283 G CA 0.118 45.124 45.100 -0.157 0.000 0.689 283 G HN 0.155 nan 8.290 nan 0.000 0.522 284 I N 0.560 121.002 120.570 -0.213 0.000 2.355 284 I HA 0.455 4.625 4.170 0.000 0.000 0.288 284 I C -0.465 175.564 176.117 -0.147 0.000 0.999 284 I CA -1.563 59.563 61.300 -0.291 0.000 1.163 284 I CB 0.979 38.714 38.000 -0.443 0.000 1.316 284 I HN 0.034 nan 8.210 nan 0.000 0.454 285 F N 8.173 127.961 119.950 -0.269 0.000 2.334 285 F HA 0.471 4.999 4.527 0.001 0.000 0.367 285 F C 0.311 176.024 175.800 -0.146 0.000 1.115 285 F CA -1.360 56.521 58.000 -0.199 0.000 1.116 285 F CB 0.517 39.442 39.000 -0.125 0.000 1.230 285 F HN 0.598 nan 8.300 nan 0.000 0.484 286 C N 4.021 123.253 119.300 -0.113 0.000 2.771 286 C HA 0.835 5.295 4.460 0.000 0.000 0.333 286 C C -0.101 174.839 174.990 -0.083 0.000 1.267 286 C CA -0.952 58.015 59.018 -0.084 0.000 1.721 286 C CB 1.171 28.960 27.740 0.081 0.000 2.222 286 C HN 0.860 nan 8.230 nan 0.000 0.485 287 E N 1.303 121.485 120.200 -0.029 0.000 2.371 287 E HA 0.326 4.676 4.350 0.000 0.000 0.257 287 E C -2.106 174.529 176.600 0.058 0.000 1.134 287 E CA -1.009 55.393 56.400 0.003 0.000 0.919 287 E CB 0.321 30.010 29.700 -0.019 0.000 1.025 287 E HN 0.390 nan 8.360 nan 0.000 0.438 288 P HA -0.289 nan 4.420 nan 0.000 0.216 288 P C 1.196 178.487 177.300 -0.015 0.000 1.157 288 P CA 2.551 65.552 63.100 -0.165 0.000 0.880 288 P CB -0.052 31.470 31.700 -0.297 0.000 0.791 289 A N -0.805 122.016 122.820 0.001 0.000 1.908 289 A HA -0.206 4.115 4.320 0.000 0.000 0.218 289 A C 2.325 179.951 177.584 0.071 0.000 1.181 289 A CA 2.328 54.385 52.037 0.033 0.000 0.627 289 A CB -1.566 17.453 19.000 0.032 0.000 0.818 289 A HN 0.157 nan 8.150 nan 0.000 0.445 290 S N 0.053 115.808 115.700 0.092 0.000 2.382 290 S HA -0.045 4.426 4.470 0.000 0.000 0.228 290 S C 2.178 176.851 174.600 0.122 0.000 1.027 290 S CA 1.083 59.353 58.200 0.117 0.000 0.991 290 S CB -0.457 62.825 63.200 0.136 0.000 0.823 290 S HN 0.822 nan 8.310 nan 0.000 0.469 291 A N 1.334 124.239 122.820 0.142 0.000 2.125 291 A HA 0.215 4.535 4.320 0.000 0.000 0.219 291 A C 2.235 179.896 177.584 0.130 0.000 1.156 291 A CA 1.311 53.452 52.037 0.174 0.000 0.671 291 A CB -0.788 18.371 19.000 0.264 0.000 0.794 291 A HN 0.502 nan 8.150 nan 0.000 0.459 292 A N -0.116 122.763 122.820 0.098 0.000 2.019 292 A HA 0.168 4.488 4.320 0.000 0.000 0.219 292 A C 2.397 180.004 177.584 0.038 0.000 1.164 292 A CA 1.791 53.872 52.037 0.073 0.000 0.644 292 A CB -0.728 18.327 19.000 0.092 0.000 0.805 292 A HN 0.951 nan 8.150 nan 0.000 0.449 293 A N -0.917 121.954 122.820 0.085 0.000 1.873 293 A HA -0.065 4.255 4.320 0.000 0.000 0.215 293 A C 2.144 179.692 177.584 -0.060 0.000 1.186 293 A CA 2.100 54.198 52.037 0.102 0.000 0.616 293 A CB -0.447 18.638 19.000 0.141 0.000 0.823 293 A HN 0.535 nan 8.150 nan 0.000 0.442 294 M N 0.244 119.835 119.600 -0.015 0.000 2.175 294 M HA 0.068 4.548 4.480 0.000 0.000 0.264 294 M C 2.073 178.331 176.300 -0.071 0.000 1.063 294 M CA 1.556 56.817 55.300 -0.065 0.000 1.119 294 M CB -0.617 32.027 32.600 0.072 0.000 1.377 294 M HN 0.352 nan 8.290 nan 0.000 0.415 295 A N -0.600 122.235 122.820 0.025 0.000 1.972 295 A HA 0.060 4.380 4.320 0.000 0.000 0.219 295 A C 2.297 179.722 177.584 -0.265 0.000 1.169 295 A CA 1.626 53.697 52.037 0.056 0.000 0.635 295 A CB -1.665 17.363 19.000 0.046 0.000 0.810 295 A HN 0.606 nan 8.150 nan 0.000 0.446 296 G N -0.784 107.568 108.800 -0.747 0.000 2.403 296 G HA2 -0.017 3.943 3.960 0.000 0.000 0.216 296 G HA3 -0.017 3.943 3.960 0.000 0.000 0.216 296 G C 1.466 175.798 174.900 -0.946 0.000 1.154 296 G CA 1.076 45.100 45.100 -1.793 0.000 0.784 296 G HN 0.291 nan 8.290 nan 0.000 0.538 297 V N 0.330 119.911 119.914 -0.555 0.000 2.307 297 V HA -0.092 4.028 4.120 0.000 0.000 0.245 297 V C 2.439 178.365 176.094 -0.280 0.000 1.045 297 V CA 1.471 63.568 62.300 -0.340 0.000 1.024 297 V CB -0.689 30.936 31.823 -0.329 0.000 0.651 297 V HN 0.379 nan 8.190 nan 0.000 0.449 298 F N 0.486 120.298 119.950 -0.230 0.000 2.120 298 F HA -0.263 4.264 4.527 -0.000 0.000 0.300 298 F C 2.531 178.209 175.800 -0.204 0.000 1.095 298 F CA 2.189 60.066 58.000 -0.204 0.000 1.249 298 F CB -0.206 38.681 39.000 -0.189 0.000 0.995 298 F HN 0.060 nan 8.300 nan 0.000 0.480 299 K N 0.410 120.787 120.400 -0.039 0.000 1.985 299 K HA -0.215 4.106 4.320 0.000 0.000 0.210 299 K C 1.985 178.551 176.600 -0.058 0.000 1.047 299 K CA 1.485 57.728 56.287 -0.073 0.000 0.932 299 K CB -0.368 32.062 32.500 -0.116 0.000 0.716 299 K HN 0.099 nan 8.250 nan 0.000 0.439 300 L N 1.488 122.667 121.223 -0.073 0.000 2.079 300 L HA -0.159 4.182 4.340 0.000 0.000 0.210 300 L C 2.266 179.091 176.870 -0.076 0.000 1.081 300 L CA 1.378 56.185 54.840 -0.055 0.000 0.752 300 L CB -0.553 41.470 42.059 -0.060 0.000 0.896 300 L HN 0.249 nan 8.230 nan 0.000 0.433 301 L N -1.098 120.070 121.223 -0.092 0.000 2.017 301 L HA -0.236 4.104 4.340 0.000 0.000 0.208 301 L C 2.774 179.618 176.870 -0.043 0.000 1.073 301 L CA 1.326 56.121 54.840 -0.076 0.000 0.745 301 L CB -0.495 41.517 42.059 -0.077 0.000 0.894 301 L HN 0.269 nan 8.230 nan 0.000 0.432 302 R N 0.691 121.173 120.500 -0.031 0.000 2.127 302 R HA -0.192 4.149 4.340 0.000 0.000 0.238 302 R C 1.452 177.729 176.300 -0.039 0.000 1.134 302 R CA 1.660 57.736 56.100 -0.039 0.000 0.975 302 R CB -0.065 30.201 30.300 -0.056 0.000 0.865 302 R HN 0.482 nan 8.270 nan 0.000 0.447 303 E N -0.882 119.297 120.200 -0.035 0.000 2.465 303 E HA 0.102 4.453 4.350 0.000 0.000 0.191 303 E C 0.404 176.991 176.600 -0.023 0.000 1.053 303 E CA 0.303 56.687 56.400 -0.026 0.000 0.869 303 E CB 0.583 30.271 29.700 -0.019 0.000 0.977 303 E HN 0.571 nan 8.360 nan 0.000 0.483 304 G N 2.522 111.304 108.800 -0.029 0.000 2.323 304 G HA2 -0.349 3.612 3.960 0.000 0.000 0.292 304 G HA3 -0.349 3.612 3.960 0.000 0.000 0.292 304 G C 0.526 175.415 174.900 -0.018 0.000 1.040 304 G CA 0.360 45.445 45.100 -0.024 0.000 0.942 304 G HN 0.294 nan 8.290 nan 0.000 0.506 305 R N -1.144 119.338 120.500 -0.031 0.000 2.468 305 R HA 0.367 4.707 4.340 0.000 0.000 0.280 305 R C 0.579 176.856 176.300 -0.037 0.000 0.963 305 R CA -0.088 56.002 56.100 -0.017 0.000 1.083 305 R CB 0.542 30.836 30.300 -0.010 0.000 1.200 305 R HN 0.412 nan 8.270 nan 0.000 0.541 306 L N 1.645 122.822 121.223 -0.077 0.000 2.305 306 L HA 0.312 4.652 4.340 0.000 0.000 0.284 306 L C -0.051 176.829 176.870 0.017 0.000 1.013 306 L CA -0.668 54.095 54.840 -0.128 0.000 0.819 306 L CB 1.913 43.804 42.059 -0.280 0.000 1.227 306 L HN 0.040 nan 8.230 nan 0.000 0.417 307 E N 4.143 124.440 120.200 0.161 0.000 2.414 307 E HA 0.084 4.435 4.350 0.000 0.000 0.263 307 E C -2.222 174.408 176.600 0.049 0.000 1.000 307 E CA -1.610 54.857 56.400 0.112 0.000 0.914 307 E CB 0.276 30.061 29.700 0.142 0.000 0.948 307 E HN 0.293 nan 8.360 nan 0.000 0.444 308 P HA -0.084 nan 4.420 nan 0.000 0.268 308 P C -0.493 176.788 177.300 -0.031 0.000 1.208 308 P CA 0.310 63.405 63.100 -0.008 0.000 0.777 308 P CB 0.444 32.143 31.700 -0.001 0.000 0.875 309 E N -1.727 118.449 120.200 -0.039 0.000 2.722 309 E HA -0.170 4.180 4.350 0.000 0.000 0.265 309 E C -0.075 176.430 176.600 -0.158 0.000 1.081 309 E CA 1.123 57.490 56.400 -0.055 0.000 0.781 309 E CB -2.082 27.603 29.700 -0.025 0.000 1.372 309 E HN 0.621 nan 8.360 nan 0.000 0.423 310 S N -1.429 114.149 115.700 -0.205 0.000 2.690 310 S HA 0.663 5.133 4.470 0.000 0.000 0.291 310 S C 0.258 174.763 174.600 -0.159 0.000 1.138 310 S CA -0.576 57.320 58.200 -0.506 0.000 1.013 310 S CB 2.461 65.505 63.200 -0.260 0.000 1.053 310 S HN -0.010 nan 8.310 nan 0.000 0.539 311 T N 1.478 116.012 114.554 -0.032 0.000 2.794 311 T HA 0.576 4.926 4.350 0.000 0.000 0.280 311 T C -0.899 173.984 174.700 0.306 0.000 0.987 311 T CA -0.494 61.748 62.100 0.237 0.000 0.993 311 T CB 1.106 70.165 68.868 0.318 0.000 0.939 311 T HN 0.543 nan 8.240 nan 0.000 0.449 312 V N 4.322 124.391 119.914 0.258 0.000 2.407 312 V HA 0.442 4.562 4.120 0.000 0.000 0.291 312 V C -0.245 175.954 176.094 0.175 0.000 1.018 312 V CA -0.724 61.702 62.300 0.209 0.000 0.842 312 V CB 1.769 33.640 31.823 0.080 0.000 0.996 312 V HN 0.670 nan 8.190 nan 0.000 0.426 313 V N 6.698 126.658 119.914 0.075 0.000 2.435 313 V HA 0.547 4.667 4.120 0.000 0.000 0.290 313 V C -0.511 175.516 176.094 -0.112 0.000 1.030 313 V CA -0.532 61.730 62.300 -0.064 0.000 0.881 313 V CB 1.742 33.364 31.823 -0.335 0.000 0.983 313 V HN 0.635 nan 8.190 nan 0.000 0.445 314 L N 3.743 124.975 121.223 0.015 0.000 2.341 314 L HA 0.543 4.883 4.340 0.000 0.000 0.278 314 L C 0.364 177.347 176.870 0.188 0.000 1.005 314 L CA -0.105 54.808 54.840 0.123 0.000 0.818 314 L CB 1.858 43.970 42.059 0.088 0.000 1.259 314 L HN 0.513 nan 8.230 nan 0.000 0.418 315 T N 4.283 119.019 114.554 0.304 0.000 2.747 315 T HA 0.430 4.780 4.350 0.000 0.000 0.301 315 T C 0.219 175.022 174.700 0.171 0.000 0.952 315 T CA -0.233 62.035 62.100 0.281 0.000 0.983 315 T CB -0.038 69.004 68.868 0.290 0.000 0.930 315 T HN 0.288 nan 8.240 nan 0.000 0.494 316 L N 4.674 126.013 121.223 0.193 0.000 2.302 316 L HA 0.181 4.521 4.340 0.000 0.000 0.285 316 L C 2.182 179.196 176.870 0.240 0.000 1.090 316 L CA -0.558 54.399 54.840 0.195 0.000 0.866 316 L CB 0.206 42.384 42.059 0.197 0.000 1.244 316 L HN 0.812 nan 8.230 nan 0.000 0.435 317 T N -0.671 114.007 114.554 0.206 0.000 2.699 317 T HA -0.078 4.273 4.350 0.000 0.000 0.268 317 T C 0.902 175.809 174.700 0.345 0.000 1.036 317 T CA 0.958 63.259 62.100 0.335 0.000 1.147 317 T CB -0.057 69.027 68.868 0.361 0.000 0.862 317 T HN 0.586 nan 8.240 nan 0.000 0.446 318 G N -0.336 108.596 108.800 0.221 0.000 2.612 318 G HA2 0.507 4.467 3.960 0.000 0.000 0.298 318 G HA3 0.507 4.467 3.960 0.000 0.000 0.298 318 G C -1.459 173.511 174.900 0.116 0.000 1.336 318 G CA -0.734 44.455 45.100 0.149 0.000 0.953 318 G HN 0.360 nan 8.290 nan 0.000 0.482 319 H N 0.285 119.350 119.070 -0.008 0.000 2.690 319 H HA 0.191 4.747 4.556 0.000 0.000 0.365 319 H C 1.698 176.898 175.328 -0.213 0.000 1.142 319 H CA 0.900 56.917 56.048 -0.052 0.000 1.417 319 H CB 1.629 31.341 29.762 -0.083 0.000 1.446 319 H HN 0.546 nan 8.280 nan 0.000 0.599 320 G N 3.886 112.341 108.800 -0.576 0.000 2.448 320 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 320 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 320 G C 1.845 176.416 174.900 -0.547 0.000 1.127 320 G CA 0.240 44.493 45.100 -1.411 0.000 0.766 320 G HN 0.634 nan 8.290 nan 0.000 0.552 321 L N -0.008 121.315 121.223 0.167 0.000 2.349 321 L HA -0.058 4.282 4.340 0.000 0.000 0.220 321 L C 2.730 179.645 176.870 0.076 0.000 1.130 321 L CA 0.625 55.577 54.840 0.185 0.000 0.791 321 L CB -0.160 41.932 42.059 0.055 0.000 0.918 321 L HN 0.098 nan 8.230 nan 0.000 0.444 322 K N -0.295 120.127 120.400 0.037 0.000 2.147 322 K HA -0.129 4.191 4.320 0.000 0.000 0.205 322 K C 0.470 177.088 176.600 0.029 0.000 1.049 322 K CA 0.995 57.297 56.287 0.024 0.000 0.936 322 K CB -0.195 32.315 32.500 0.017 0.000 0.722 322 K HN 0.170 nan 8.250 nan 0.000 0.446 323 D N -0.360 120.060 120.400 0.034 0.000 2.613 323 D HA 0.183 4.823 4.640 0.000 0.000 0.312 323 D C -2.119 174.259 176.300 0.130 0.000 1.202 323 D CA -2.154 51.878 54.000 0.054 0.000 0.825 323 D CB 1.023 41.831 40.800 0.013 0.000 1.113 323 D HN -0.190 nan 8.370 nan 0.000 0.502 324 P HA -0.171 nan 4.420 nan 0.000 0.216 324 P C 1.364 178.761 177.300 0.161 0.000 1.153 324 P CA 1.526 64.741 63.100 0.192 0.000 0.858 324 P CB 0.241 32.020 31.700 0.131 0.000 0.789 325 A N -0.909 121.972 122.820 0.100 0.000 1.927 325 A HA -0.264 4.056 4.320 0.000 0.000 0.220 325 A C 2.256 179.891 177.584 0.084 0.000 1.185 325 A CA 2.656 54.736 52.037 0.072 0.000 0.639 325 A CB -1.991 17.031 19.000 0.036 0.000 0.820 325 A HN 0.209 nan 8.150 nan 0.000 0.451 326 T N -0.021 114.589 114.554 0.093 0.000 2.962 326 T HA 0.102 4.452 4.350 0.000 0.000 0.270 326 T C 2.073 176.896 174.700 0.205 0.000 1.088 326 T CA 1.061 63.206 62.100 0.075 0.000 1.127 326 T CB -0.355 68.462 68.868 -0.084 0.000 0.883 326 T HN 0.642 nan 8.240 nan 0.000 0.493 327 A N 1.643 124.639 122.820 0.294 0.000 1.986 327 A HA -0.158 4.162 4.320 0.000 0.000 0.220 327 A C 2.080 179.758 177.584 0.156 0.000 1.171 327 A CA 1.517 53.723 52.037 0.281 0.000 0.640 327 A CB -0.454 18.666 19.000 0.200 0.000 0.811 327 A HN 0.409 nan 8.150 nan 0.000 0.451 328 E N -0.510 119.758 120.200 0.114 0.000 2.478 328 E HA -0.038 4.313 4.350 0.000 0.000 0.198 328 E C 1.809 178.451 176.600 0.070 0.000 1.046 328 E CA 0.487 56.930 56.400 0.071 0.000 0.870 328 E CB -0.081 29.651 29.700 0.053 0.000 0.818 328 E HN 0.595 nan 8.360 nan 0.000 0.527 329 R N -0.288 120.270 120.500 0.097 0.000 2.312 329 R HA 0.084 4.424 4.340 0.000 0.000 0.205 329 R C 1.008 177.368 176.300 0.100 0.000 0.904 329 R CA 0.660 56.810 56.100 0.083 0.000 1.052 329 R CB 0.713 31.053 30.300 0.068 0.000 1.014 329 R HN 0.147 nan 8.270 nan 0.000 0.503 330 V N -4.096 115.890 119.914 0.120 0.000 3.252 330 V HA 0.657 4.778 4.120 0.000 0.000 0.320 330 V C -0.147 175.966 176.094 0.031 0.000 1.459 330 V CA -0.186 62.169 62.300 0.093 0.000 1.095 330 V CB 0.623 32.534 31.823 0.147 0.000 0.997 330 V HN 0.066 nan 8.190 nan 0.000 0.469 331 A N -0.052 122.785 122.820 0.028 0.000 2.586 331 A HA 0.684 5.004 4.320 0.000 0.000 0.298 331 A C -1.227 176.361 177.584 0.006 0.000 1.013 331 A CA -0.291 51.746 52.037 -0.001 0.000 0.707 331 A CB 1.201 20.183 19.000 -0.031 0.000 1.276 331 A HN 0.427 nan 8.150 nan 0.000 0.414 332 E N 0.563 120.762 120.200 -0.002 0.000 2.195 332 E HA 0.613 4.963 4.350 0.000 0.000 0.271 332 E C -1.249 175.348 176.600 -0.006 0.000 0.923 332 E CA -0.792 55.609 56.400 0.002 0.000 0.790 332 E CB 1.478 31.180 29.700 0.003 0.000 1.155 332 E HN 0.741 nan 8.360 nan 0.000 0.402 333 L N 5.653 126.874 121.223 -0.003 0.000 2.313 333 L HA 0.396 4.736 4.340 0.000 0.000 0.282 333 L C -2.344 174.522 176.870 -0.006 0.000 1.092 333 L CA -1.391 53.445 54.840 -0.006 0.000 0.831 333 L CB 0.485 42.542 42.059 -0.002 0.000 1.159 333 L HN 0.493 nan 8.230 nan 0.000 0.442 334 P HA 0.309 nan 4.420 nan 0.000 0.275 334 P C -2.549 174.747 177.300 -0.006 0.000 1.228 334 P CA -0.929 62.167 63.100 -0.008 0.000 0.786 334 P CB -0.204 31.490 31.700 -0.011 0.000 0.927 335 P HA 0.243 nan 4.420 nan 0.000 0.271 335 P C -2.382 174.916 177.300 -0.004 0.000 1.218 335 P CA -1.039 62.059 63.100 -0.003 0.000 0.780 335 P CB -0.651 31.048 31.700 -0.002 0.000 0.901 336 P HA 0.082 nan 4.420 nan 0.000 0.269 336 P C -0.473 176.824 177.300 -0.004 0.000 1.211 336 P CA 0.015 63.113 63.100 -0.004 0.000 0.781 336 P CB 0.222 31.920 31.700 -0.003 0.000 0.877 337 V N -1.062 118.850 119.914 -0.005 0.000 3.078 337 V HA 0.687 4.807 4.120 0.000 0.000 0.311 337 V C -2.674 173.417 176.094 -0.004 0.000 1.138 337 V CA -2.487 59.810 62.300 -0.004 0.000 1.007 337 V CB 0.771 32.591 31.823 -0.005 0.000 1.045 337 V HN 0.327 nan 8.190 nan 0.000 0.432 338 P HA 0.341 nan 4.420 nan 0.000 0.266 338 P C -0.026 177.272 177.300 -0.004 0.000 1.193 338 P CA 0.266 63.364 63.100 -0.004 0.000 0.770 338 P CB 0.527 32.225 31.700 -0.003 0.000 0.836 339 A N 4.094 126.912 122.820 -0.004 0.000 3.048 339 A HA 0.143 4.463 4.320 0.000 0.000 0.264 339 A C 0.292 177.873 177.584 -0.004 0.000 1.796 339 A CA -0.032 52.003 52.037 -0.004 0.000 1.445 339 A CB -0.787 18.210 19.000 -0.004 0.000 1.074 339 A HN 0.410 nan 8.150 nan 0.000 0.621 340 R N 0.302 120.799 120.500 -0.004 0.000 2.686 340 R HA 0.334 4.674 4.340 0.000 0.000 0.286 340 R C 0.455 176.752 176.300 -0.004 0.000 0.969 340 R CA -0.990 55.107 56.100 -0.004 0.000 0.898 340 R CB 1.335 31.633 30.300 -0.004 0.000 1.183 340 R HN 0.360 nan 8.270 nan 0.000 0.456 341 L N 2.618 123.838 121.223 -0.004 0.000 2.021 341 L HA -0.255 4.085 4.340 0.000 0.000 0.215 341 L C 2.310 179.177 176.870 -0.005 0.000 1.074 341 L CA 2.058 56.895 54.840 -0.005 0.000 0.760 341 L CB -0.421 41.635 42.059 -0.004 0.000 0.889 341 L HN 0.750 nan 8.230 nan 0.000 0.433 342 E N -0.182 120.016 120.200 -0.004 0.000 2.051 342 E HA -0.243 4.108 4.350 0.000 0.000 0.192 342 E C 1.982 178.579 176.600 -0.005 0.000 0.991 342 E CA 1.601 57.998 56.400 -0.004 0.000 0.799 342 E CB -0.219 29.478 29.700 -0.004 0.000 0.748 342 E HN 0.565 nan 8.360 nan 0.000 0.449 343 A N 1.017 123.834 122.820 -0.005 0.000 1.877 343 A HA -0.106 4.214 4.320 0.000 0.000 0.216 343 A C 2.642 180.222 177.584 -0.006 0.000 1.186 343 A CA 1.677 53.711 52.037 -0.005 0.000 0.620 343 A CB -0.801 18.196 19.000 -0.005 0.000 0.822 343 A HN 0.201 nan 8.150 nan 0.000 0.443 344 V N -0.060 119.850 119.914 -0.006 0.000 2.261 344 V HA -0.264 3.856 4.120 0.000 0.000 0.246 344 V C 3.090 179.179 176.094 -0.008 0.000 1.047 344 V CA 2.032 64.327 62.300 -0.007 0.000 1.015 344 V CB -1.313 30.506 31.823 -0.007 0.000 0.642 344 V HN 0.618 nan 8.190 nan 0.000 0.446 345 A N -0.161 122.655 122.820 -0.007 0.000 1.948 345 A HA -0.189 4.131 4.320 0.000 0.000 0.220 345 A C 2.368 179.947 177.584 -0.008 0.000 1.177 345 A CA 2.377 54.410 52.037 -0.008 0.000 0.636 345 A CB -0.721 18.275 19.000 -0.007 0.000 0.815 345 A HN 0.610 nan 8.150 nan 0.000 0.449 346 A N -0.449 122.367 122.820 -0.007 0.000 1.897 346 A HA 0.286 4.606 4.320 0.000 0.000 0.215 346 A C 2.455 180.035 177.584 -0.008 0.000 1.181 346 A CA 1.698 53.731 52.037 -0.007 0.000 0.620 346 A CB -0.910 18.086 19.000 -0.006 0.000 0.821 346 A HN 1.068 nan 8.150 nan 0.000 0.443 347 A N -0.380 122.435 122.820 -0.008 0.000 2.067 347 A HA 0.290 4.611 4.320 0.000 0.000 0.219 347 A C 2.153 179.731 177.584 -0.011 0.000 1.158 347 A CA 1.563 53.594 52.037 -0.009 0.000 0.661 347 A CB -0.610 18.385 19.000 -0.009 0.000 0.801 347 A HN 1.010 nan 8.150 nan 0.000 0.452 348 A N -1.548 121.266 122.820 -0.011 0.000 2.251 348 A HA 0.421 4.741 4.320 0.000 0.000 0.209 348 A C 1.696 179.273 177.584 -0.013 0.000 1.187 348 A CA 1.042 53.071 52.037 -0.013 0.000 0.823 348 A CB -0.964 18.029 19.000 -0.013 0.000 0.846 348 A HN 1.802 nan 8.150 nan 0.000 0.486 349 G N -0.838 107.955 108.800 -0.011 0.000 2.176 349 G HA2 -0.249 3.711 3.960 0.000 0.000 0.252 349 G HA3 -0.249 3.711 3.960 0.000 0.000 0.252 349 G C 0.555 175.448 174.900 -0.010 0.000 1.024 349 G CA 0.572 45.665 45.100 -0.011 0.000 0.755 349 G HN 0.527 nan 8.290 nan 0.000 0.507 350 L N -1.280 119.938 121.223 -0.009 0.000 2.585 350 L HA 0.448 4.788 4.340 0.000 0.000 0.226 350 L C 1.501 178.367 176.870 -0.007 0.000 1.113 350 L CA 0.125 54.960 54.840 -0.009 0.000 0.876 350 L CB -0.002 42.051 42.059 -0.009 0.000 1.072 350 L HN 0.234 nan 8.230 nan 0.000 0.468 351 L N 0.000 121.219 121.223 -0.007 0.000 2.949 351 L HA 0.000 4.340 4.340 0.000 0.000 0.249 351 L CA 0.000 54.836 54.840 -0.006 0.000 0.813 351 L CB 0.000 42.056 42.059 -0.006 0.000 0.961 351 L HN 0.000 nan 8.230 nan 0.000 0.502