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 1n47_1_D DATA FIRST_RESID 1 DATA SEQUENCE TESTSFSFTN FNPNQNNLIL QEDALVNSAG TLELTAVAAG APVPDSLGRA DATA SEQUENCE LYAAPIHIHD NTTLASFTTS FSFVMAAPAA AAVADGLAFF LAPPDTQPQA DATA SEQUENCE RGGFLGLFAD RAHDASYQTV AVEFDTYSNA WDPNYTHIGI DTNGIESKKT DATA SEQUENCE TPFDMVYGEK ANIVITYQAS TKALAASLVF PVSQTSYAVS ARVDLRDILP DATA SEQUENCE EYVRVGFSAT TGLNAGVVET HDIVSWSFAV SLA 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.731 174.700 0.051 0.000 1.109 1 T CA 0.000 62.118 62.100 0.031 0.000 1.349 1 T CB 0.000 68.881 68.868 0.022 0.000 0.612 2 E N 0.625 120.857 120.200 0.055 0.000 2.356 2 E HA 0.767 5.120 4.350 0.006 0.000 0.275 2 E C -1.128 175.517 176.600 0.075 0.000 0.904 2 E CA -1.010 55.441 56.400 0.085 0.000 0.757 2 E CB 2.555 32.343 29.700 0.146 0.000 1.232 2 E HN 0.362 nan 8.360 nan 0.000 0.442 3 S N 0.251 116.001 115.700 0.083 0.000 2.599 3 S HA 0.737 5.211 4.470 0.006 0.000 0.287 3 S C -1.228 173.435 174.600 0.104 0.000 1.105 3 S CA -0.448 57.796 58.200 0.074 0.000 0.899 3 S CB 1.922 65.149 63.200 0.046 0.000 1.100 3 S HN 0.439 nan 8.310 nan 0.000 0.482 4 T N 1.893 116.511 114.554 0.108 0.000 3.172 4 T HA 0.639 4.992 4.350 0.006 0.000 0.320 4 T C -1.349 173.403 174.700 0.086 0.000 1.085 4 T CA -0.688 61.500 62.100 0.147 0.000 1.052 4 T CB 1.378 70.387 68.868 0.235 0.000 1.107 4 T HN 0.699 nan 8.240 nan 0.000 0.458 5 S N 2.338 118.057 115.700 0.032 0.000 2.570 5 S HA 0.955 5.428 4.470 0.006 0.000 0.270 5 S C -1.499 173.008 174.600 -0.155 0.000 1.149 5 S CA -1.022 57.087 58.200 -0.153 0.000 0.837 5 S CB 1.694 64.804 63.200 -0.151 0.000 1.124 5 S HN 0.917 nan 8.310 nan 0.000 0.465 6 F N -1.186 118.603 119.950 -0.269 0.000 2.719 6 F HA 0.851 5.381 4.527 0.005 0.000 0.309 6 F C -0.893 174.650 175.800 -0.427 0.000 1.138 6 F CA -0.540 57.205 58.000 -0.424 0.000 0.943 6 F CB 1.150 39.732 39.000 -0.696 0.000 1.304 6 F HN 0.969 nan 8.300 nan 0.000 0.445 7 S N 0.654 116.205 115.700 -0.249 0.000 2.546 7 S HA 0.855 5.328 4.470 0.006 0.000 0.274 7 S C -1.808 172.594 174.600 -0.330 0.000 1.121 7 S CA -0.697 57.388 58.200 -0.192 0.000 0.887 7 S CB 1.850 64.987 63.200 -0.104 0.000 1.094 7 S HN 0.640 nan 8.310 nan 0.000 0.474 8 F N 0.820 120.811 119.950 0.068 0.000 2.539 8 F HA 0.497 5.027 4.527 0.005 0.000 0.328 8 F C 1.279 177.003 175.800 -0.126 0.000 1.148 8 F CA -0.740 57.211 58.000 -0.082 0.000 0.940 8 F CB 2.521 41.371 39.000 -0.249 0.000 1.194 8 F HN 0.699 nan 8.300 nan 0.000 0.438 9 T N 1.963 116.533 114.554 0.028 0.000 3.067 9 T HA 0.057 4.410 4.350 0.006 0.000 0.257 9 T C 0.146 174.811 174.700 -0.058 0.000 1.105 9 T CA 0.526 62.630 62.100 0.008 0.000 1.104 9 T CB -0.358 68.517 68.868 0.012 0.000 0.925 9 T HN 0.725 nan 8.240 nan 0.000 0.498 10 N N -0.790 117.804 118.700 -0.176 0.000 3.185 10 N HA 0.244 4.987 4.740 0.006 0.000 0.238 10 N C -1.714 173.569 175.510 -0.378 0.000 1.451 10 N CA -0.570 52.348 53.050 -0.220 0.000 0.888 10 N CB 0.705 39.184 38.487 -0.013 0.000 1.413 10 N HN -0.020 nan 8.380 nan 0.000 0.511 11 F N -0.203 119.816 119.950 0.114 0.000 2.585 11 F HA 0.550 5.080 4.527 0.005 0.000 0.350 11 F C 0.443 176.284 175.800 0.068 0.000 1.074 11 F CA -0.766 57.279 58.000 0.074 0.000 1.032 11 F CB 1.169 40.157 39.000 -0.021 0.000 1.330 11 F HN 0.285 nan 8.300 nan 0.000 0.495 12 N N 0.425 119.288 118.700 0.272 0.000 2.240 12 N HA 0.286 5.029 4.740 0.006 0.000 0.302 12 N C -2.418 173.163 175.510 0.119 0.000 1.106 12 N CA -1.545 51.601 53.050 0.160 0.000 0.778 12 N CB 2.090 40.656 38.487 0.132 0.000 1.431 12 N HN 0.096 nan 8.380 nan 0.000 0.479 13 P HA -0.080 nan 4.420 nan 0.000 0.225 13 P C 0.137 177.457 177.300 0.035 0.000 1.148 13 P CA 1.254 64.381 63.100 0.046 0.000 0.779 13 P CB 0.041 31.763 31.700 0.037 0.000 0.780 14 N N -0.674 118.054 118.700 0.047 0.000 2.610 14 N HA 0.079 4.822 4.740 0.006 0.000 0.309 14 N C -0.152 175.389 175.510 0.051 0.000 1.536 14 N CA -0.341 52.731 53.050 0.037 0.000 0.954 14 N CB -0.241 38.266 38.487 0.033 0.000 1.310 14 N HN -0.108 nan 8.380 nan 0.000 0.502 15 Q N 0.954 120.790 119.800 0.060 0.000 2.613 15 Q HA 0.215 4.558 4.340 0.006 0.000 0.228 15 Q C 0.438 176.470 176.000 0.052 0.000 1.318 15 Q CA 0.194 56.050 55.803 0.089 0.000 0.907 15 Q CB -0.641 28.159 28.738 0.103 0.000 1.593 15 Q HN 0.360 nan 8.270 nan 0.000 0.559 16 N N 1.540 120.266 118.700 0.043 0.000 2.430 16 N HA -0.155 4.589 4.740 0.006 0.000 0.186 16 N C 0.251 175.749 175.510 -0.020 0.000 1.032 16 N CA 0.768 53.823 53.050 0.007 0.000 0.893 16 N CB 0.143 38.633 38.487 0.005 0.000 0.957 16 N HN 0.565 nan 8.380 nan 0.000 0.442 17 N N 0.542 119.249 118.700 0.011 0.000 2.268 17 N HA 0.068 4.812 4.740 0.006 0.000 0.204 17 N C -0.213 175.234 175.510 -0.105 0.000 1.124 17 N CA 0.114 53.121 53.050 -0.072 0.000 0.838 17 N CB 0.133 38.608 38.487 -0.021 0.000 0.994 17 N HN 0.148 nan 8.380 nan 0.000 0.489 18 L N 0.295 121.497 121.223 -0.034 0.000 2.333 18 L HA 0.559 4.903 4.340 0.006 0.000 0.269 18 L C -0.342 176.490 176.870 -0.062 0.000 1.010 18 L CA -1.062 53.759 54.840 -0.032 0.000 0.818 18 L CB 2.231 44.279 42.059 -0.020 0.000 1.306 18 L HN -0.113 nan 8.230 nan 0.000 0.430 19 I N 3.098 123.632 120.570 -0.061 0.000 2.359 19 I HA 0.218 4.392 4.170 0.006 0.000 0.284 19 I C -0.849 175.238 176.117 -0.050 0.000 1.018 19 I CA -0.671 60.593 61.300 -0.061 0.000 1.173 19 I CB 1.411 39.370 38.000 -0.069 0.000 1.326 19 I HN 0.179 nan 8.210 nan 0.000 0.462 20 L N 6.949 128.142 121.223 -0.051 0.000 2.305 20 L HA 0.385 4.728 4.340 0.006 0.000 0.281 20 L C 0.064 176.908 176.870 -0.042 0.000 1.085 20 L CA 0.012 54.821 54.840 -0.052 0.000 0.813 20 L CB 0.821 42.846 42.059 -0.056 0.000 1.157 20 L HN 0.569 nan 8.230 nan 0.000 0.436 21 Q N 3.131 122.908 119.800 -0.039 0.000 2.353 21 Q HA 0.385 4.728 4.340 0.006 0.000 0.268 21 Q C -0.047 175.931 176.000 -0.036 0.000 1.045 21 Q CA -0.763 55.019 55.803 -0.034 0.000 0.811 21 Q CB 2.643 31.364 28.738 -0.028 0.000 1.305 21 Q HN 0.570 nan 8.270 nan 0.000 0.447 22 E N 1.077 121.257 120.200 -0.033 0.000 3.287 22 E HA -0.324 4.029 4.350 0.006 0.000 0.405 22 E C 0.273 176.856 176.600 -0.029 0.000 1.541 22 E CA 1.971 58.353 56.400 -0.031 0.000 1.405 22 E CB -0.727 28.953 29.700 -0.033 0.000 1.576 22 E HN 0.772 nan 8.360 nan 0.000 0.474 23 D N 1.309 121.692 120.400 -0.028 0.000 2.277 23 D HA 0.187 4.831 4.640 0.006 0.000 0.208 23 D C 0.538 176.819 176.300 -0.030 0.000 0.962 23 D CA 0.988 54.974 54.000 -0.024 0.000 0.865 23 D CB -0.307 40.484 40.800 -0.016 0.000 0.939 23 D HN 0.457 nan 8.370 nan 0.000 0.510 24 A N 1.035 123.831 122.820 -0.041 0.000 2.587 24 A HA 0.303 4.626 4.320 0.006 0.000 0.235 24 A C 0.211 177.759 177.584 -0.060 0.000 1.044 24 A CA 0.449 52.451 52.037 -0.059 0.000 0.754 24 A CB -0.150 18.806 19.000 -0.074 0.000 0.968 24 A HN 0.384 nan 8.150 nan 0.000 0.509 25 L N 1.756 122.937 121.223 -0.070 0.000 2.710 25 L HA 0.705 5.049 4.340 0.006 0.000 0.260 25 L C -1.726 175.102 176.870 -0.070 0.000 0.993 25 L CA -0.892 53.913 54.840 -0.058 0.000 0.877 25 L CB 1.677 43.717 42.059 -0.033 0.000 1.461 25 L HN 0.425 nan 8.230 nan 0.000 0.413 26 V N 2.725 122.610 119.914 -0.049 0.000 2.417 26 V HA 0.422 4.545 4.120 0.006 0.000 0.291 26 V C 0.168 176.269 176.094 0.012 0.000 1.024 26 V CA -0.649 61.633 62.300 -0.030 0.000 0.861 26 V CB 1.501 33.317 31.823 -0.012 0.000 0.985 26 V HN 0.790 nan 8.190 nan 0.000 0.436 27 N N 2.116 120.832 118.700 0.027 0.000 2.307 27 N HA -0.007 4.737 4.740 0.006 0.000 0.230 27 N C 1.520 177.060 175.510 0.050 0.000 1.297 27 N CA 0.686 53.759 53.050 0.038 0.000 0.884 27 N CB 0.736 39.252 38.487 0.049 0.000 1.115 27 N HN 0.820 nan 8.380 nan 0.000 0.436 28 S N -0.649 115.076 115.700 0.042 0.000 2.447 28 S HA -0.064 4.410 4.470 0.006 0.000 0.233 28 S C 1.392 176.024 174.600 0.052 0.000 1.006 28 S CA 0.700 58.926 58.200 0.044 0.000 0.957 28 S CB -0.142 63.078 63.200 0.033 0.000 0.773 28 S HN 0.595 nan 8.310 nan 0.000 0.507 29 A N 0.863 123.717 122.820 0.056 0.000 2.251 29 A HA 0.580 4.903 4.320 0.006 0.000 0.209 29 A C 1.596 179.233 177.584 0.088 0.000 1.187 29 A CA 0.306 52.381 52.037 0.063 0.000 0.823 29 A CB -1.143 17.891 19.000 0.056 0.000 0.846 29 A HN 1.460 nan 8.150 nan 0.000 0.486 30 G N -0.881 107.985 108.800 0.110 0.000 2.198 30 G HA2 -0.196 3.767 3.960 0.006 0.000 0.257 30 G HA3 -0.196 3.767 3.960 0.006 0.000 0.257 30 G C 0.164 175.213 174.900 0.249 0.000 1.042 30 G CA 0.439 45.643 45.100 0.173 0.000 0.791 30 G HN 0.596 nan 8.290 nan 0.000 0.502 31 T N 0.613 115.273 114.554 0.177 0.000 2.770 31 T HA 0.497 4.851 4.350 0.006 0.000 0.283 31 T C 0.103 174.839 174.700 0.060 0.000 0.988 31 T CA -0.525 61.676 62.100 0.169 0.000 0.957 31 T CB 1.730 70.663 68.868 0.107 0.000 0.930 31 T HN 0.550 nan 8.240 nan 0.000 0.443 32 L N 4.578 125.772 121.223 -0.048 0.000 2.456 32 L HA 0.241 4.584 4.340 0.006 0.000 0.277 32 L C 0.171 176.950 176.870 -0.152 0.000 1.124 32 L CA 0.349 55.024 54.840 -0.276 0.000 0.880 32 L CB -0.292 41.372 42.059 -0.658 0.000 1.192 32 L HN 0.591 nan 8.230 nan 0.000 0.463 33 E N 6.013 126.151 120.200 -0.103 0.000 2.028 33 E HA 0.130 4.483 4.350 0.006 0.000 0.266 33 E C 0.784 177.350 176.600 -0.057 0.000 0.962 33 E CA -0.219 56.150 56.400 -0.052 0.000 0.784 33 E CB 0.960 30.648 29.700 -0.020 0.000 1.114 33 E HN 0.731 nan 8.360 nan 0.000 0.414 34 L N 1.565 122.757 121.223 -0.053 0.000 2.056 34 L HA -0.074 4.270 4.340 0.006 0.000 0.207 34 L C 1.400 178.266 176.870 -0.006 0.000 1.078 34 L CA 1.113 55.923 54.840 -0.050 0.000 0.749 34 L CB -0.372 41.648 42.059 -0.064 0.000 0.901 34 L HN 0.458 nan 8.230 nan 0.000 0.433 35 T N -2.200 112.388 114.554 0.056 0.000 2.918 35 T HA 0.691 5.045 4.350 0.006 0.000 0.286 35 T C -0.100 174.626 174.700 0.043 0.000 1.026 35 T CA -0.789 61.355 62.100 0.074 0.000 1.031 35 T CB 2.128 71.113 68.868 0.196 0.000 1.046 35 T HN 0.130 nan 8.240 nan 0.000 0.479 36 A N 1.625 124.462 122.820 0.027 0.000 2.498 36 A HA 0.547 4.870 4.320 0.006 0.000 0.239 36 A C -0.033 177.558 177.584 0.012 0.000 1.068 36 A CA -0.482 51.563 52.037 0.013 0.000 0.766 36 A CB -0.163 18.841 19.000 0.007 0.000 1.003 36 A HN 0.872 nan 8.150 nan 0.000 0.497 37 V N 2.532 122.450 119.914 0.006 0.000 2.443 37 V HA 0.472 4.596 4.120 0.006 0.000 0.293 37 V C 0.922 177.017 176.094 0.002 0.000 1.021 37 V CA 0.086 62.389 62.300 0.004 0.000 0.848 37 V CB 0.812 32.638 31.823 0.005 0.000 0.998 37 V HN 1.215 nan 8.190 nan 0.000 0.424 38 A N 4.615 127.435 122.820 0.001 0.000 1.838 38 A HA 0.384 4.707 4.320 0.006 0.000 0.215 38 A C 1.905 179.489 177.584 0.001 0.000 1.273 38 A CA 1.489 53.526 52.037 0.000 0.000 0.602 38 A CB -0.476 18.523 19.000 -0.001 0.000 0.934 38 A HN 1.081 nan 8.150 nan 0.000 0.461 39 A N -3.293 119.527 122.820 0.000 0.000 2.192 39 A HA 0.504 4.827 4.320 0.006 0.000 0.208 39 A C 1.398 178.984 177.584 0.003 0.000 1.220 39 A CA 1.311 53.349 52.037 0.002 0.000 0.900 39 A CB 0.351 19.351 19.000 0.000 0.000 0.937 39 A HN 1.643 nan 8.150 nan 0.000 0.487 40 G N -2.202 106.599 108.800 0.001 0.000 4.589 40 G HA2 0.447 4.410 3.960 0.006 0.000 0.218 40 G HA3 0.447 4.410 3.960 0.006 0.000 0.218 40 G C 0.089 174.988 174.900 -0.002 0.000 0.678 40 G CA 0.517 45.618 45.100 0.002 0.000 0.859 40 G HN 1.036 nan 8.290 nan 0.000 0.650 41 A N 0.868 123.684 122.820 -0.006 0.000 2.337 41 A HA 0.920 5.244 4.320 0.006 0.000 0.329 41 A C -2.855 174.722 177.584 -0.011 0.000 1.146 41 A CA -1.595 50.435 52.037 -0.012 0.000 0.800 41 A CB 1.574 20.567 19.000 -0.013 0.000 1.220 41 A HN 0.015 nan 8.150 nan 0.000 0.472 42 P HA 0.400 nan 4.420 nan 0.000 0.278 42 P C -0.634 176.661 177.300 -0.008 0.000 1.238 42 P CA -0.249 62.842 63.100 -0.015 0.000 0.794 42 P CB 0.992 32.672 31.700 -0.033 0.000 0.955 43 V N 4.333 124.248 119.914 0.002 0.000 2.612 43 V HA 0.392 4.516 4.120 0.006 0.000 0.301 43 V C -2.027 174.072 176.094 0.007 0.000 1.046 43 V CA -1.989 60.313 62.300 0.002 0.000 0.946 43 V CB 1.244 33.069 31.823 0.003 0.000 1.003 43 V HN 0.551 nan 8.190 nan 0.000 0.459 44 P HA 0.301 nan 4.420 nan 0.000 0.276 44 P C -0.122 177.179 177.300 0.002 0.000 1.261 44 P CA -0.065 63.034 63.100 -0.001 0.000 0.800 44 P CB 0.343 32.038 31.700 -0.010 0.000 1.066 45 D N -2.925 117.475 120.400 0.001 0.000 3.079 45 D HA -0.144 4.500 4.640 0.006 0.000 0.214 45 D C -0.099 176.205 176.300 0.006 0.000 1.145 45 D CA 1.159 55.161 54.000 0.003 0.000 0.958 45 D CB -1.435 39.365 40.800 0.001 0.000 1.117 45 D HN 0.311 nan 8.370 nan 0.000 0.416 46 S N -0.212 115.496 115.700 0.013 0.000 2.562 46 S HA 0.630 5.103 4.470 0.006 0.000 0.275 46 S C -0.252 174.352 174.600 0.006 0.000 1.281 46 S CA -0.571 57.637 58.200 0.014 0.000 1.045 46 S CB 1.110 64.328 63.200 0.030 0.000 0.962 46 S HN 0.295 nan 8.310 nan 0.000 0.503 47 L N 4.116 125.334 121.223 -0.008 0.000 2.464 47 L HA 0.826 5.169 4.340 0.006 0.000 0.266 47 L C -0.592 176.257 176.870 -0.035 0.000 0.965 47 L CA -0.253 54.569 54.840 -0.030 0.000 0.833 47 L CB 1.567 43.608 42.059 -0.031 0.000 1.296 47 L HN 0.865 nan 8.230 nan 0.000 0.405 48 G N 4.812 113.581 108.800 -0.052 0.000 2.768 48 G HA2 0.575 4.539 3.960 0.006 0.000 0.297 48 G HA3 0.575 4.539 3.960 0.006 0.000 0.297 48 G C -1.825 173.040 174.900 -0.058 0.000 1.430 48 G CA -0.713 44.357 45.100 -0.050 0.000 1.030 48 G HN 0.598 nan 8.290 nan 0.000 0.553 49 R N 0.204 120.678 120.500 -0.043 0.000 2.744 49 R HA 0.845 5.189 4.340 0.006 0.000 0.279 49 R C -0.852 175.443 176.300 -0.009 0.000 0.977 49 R CA -0.962 55.133 56.100 -0.010 0.000 0.906 49 R CB 2.688 32.991 30.300 0.004 0.000 1.197 49 R HN 0.799 nan 8.270 nan 0.000 0.463 50 A N 2.929 125.755 122.820 0.010 0.000 2.422 50 A HA 0.737 5.060 4.320 0.006 0.000 0.302 50 A C -1.207 176.353 177.584 -0.041 0.000 1.041 50 A CA -0.692 51.330 52.037 -0.026 0.000 0.708 50 A CB 1.146 20.104 19.000 -0.071 0.000 1.257 50 A HN 0.552 nan 8.150 nan 0.000 0.414 51 L N 1.152 122.358 121.223 -0.028 0.000 2.371 51 L HA 0.487 4.830 4.340 0.006 0.000 0.262 51 L C -0.620 176.299 176.870 0.082 0.000 1.006 51 L CA -0.855 53.970 54.840 -0.025 0.000 0.818 51 L CB 1.697 43.696 42.059 -0.100 0.000 1.354 51 L HN 0.747 nan 8.230 nan 0.000 0.415 52 Y N 0.950 121.257 120.300 0.012 0.000 2.411 52 Y HA 0.282 4.835 4.550 0.005 0.000 0.333 52 Y C 1.128 176.937 175.900 -0.152 0.000 1.186 52 Y CA 0.376 58.382 58.100 -0.156 0.000 1.381 52 Y CB 1.684 39.838 38.460 -0.510 0.000 1.273 52 Y HN 0.733 nan 8.280 nan 0.000 0.546 53 A N 5.121 127.479 122.820 -0.769 0.000 1.933 53 A HA 0.140 4.463 4.320 0.006 0.000 0.218 53 A C 1.160 178.500 177.584 -0.407 0.000 1.175 53 A CA 1.068 52.802 52.037 -0.505 0.000 0.628 53 A CB -1.041 17.695 19.000 -0.440 0.000 0.814 53 A HN 0.858 nan 8.150 nan 0.000 0.444 54 A N 0.439 122.943 122.820 -0.526 0.000 2.301 54 A HA 0.595 4.918 4.320 0.006 0.000 0.298 54 A C -2.512 175.079 177.584 0.012 0.000 1.185 54 A CA -1.594 50.348 52.037 -0.158 0.000 0.830 54 A CB -0.043 18.944 19.000 -0.022 0.000 1.112 54 A HN 0.218 nan 8.150 nan 0.000 0.508 55 P HA 0.312 nan 4.420 nan 0.000 0.270 55 P C -0.523 176.875 177.300 0.165 0.000 1.223 55 P CA 0.041 63.177 63.100 0.061 0.000 0.785 55 P CB 0.447 32.161 31.700 0.024 0.000 0.923 56 I N -1.520 119.156 120.570 0.177 0.000 2.569 56 I HA 0.384 4.557 4.170 0.006 0.000 0.296 56 I C -0.699 175.547 176.117 0.215 0.000 1.028 56 I CA -0.693 60.736 61.300 0.215 0.000 1.082 56 I CB 1.688 39.786 38.000 0.164 0.000 1.264 56 I HN 0.329 nan 8.210 nan 0.000 0.429 57 H N 6.148 125.246 119.070 0.046 0.000 2.911 57 H HA 0.402 4.961 4.556 0.005 0.000 0.273 57 H C 0.403 175.635 175.328 -0.160 0.000 1.157 57 H CA -0.223 55.656 56.048 -0.283 0.000 1.402 57 H CB 0.999 30.624 29.762 -0.229 0.000 1.463 57 H HN 0.756 nan 8.280 nan 0.000 0.475 58 I N 4.974 125.495 120.570 -0.081 0.000 3.645 58 I HA 0.016 4.189 4.170 0.006 0.000 0.300 58 I C 0.101 176.218 176.117 0.001 0.000 1.260 58 I CA 0.435 61.732 61.300 -0.005 0.000 1.365 58 I CB 0.145 38.172 38.000 0.045 0.000 1.077 58 I HN 0.707 nan 8.210 nan 0.000 0.439 59 H N -0.604 118.394 119.070 -0.119 0.000 3.037 59 H HA 0.180 4.739 4.556 0.004 0.000 0.336 59 H C -1.714 173.518 175.328 -0.161 0.000 1.323 59 H CA -0.679 55.298 56.048 -0.119 0.000 1.159 59 H CB 1.307 31.061 29.762 -0.013 0.000 1.882 59 H HN -0.006 nan 8.280 nan 0.000 0.535 60 D N 1.418 121.871 120.400 0.090 0.000 2.804 60 D HA 0.146 4.789 4.640 0.006 0.000 0.308 60 D C 0.079 176.519 176.300 0.232 0.000 1.371 60 D CA -0.490 53.584 54.000 0.123 0.000 0.823 60 D CB -0.120 40.684 40.800 0.006 0.000 1.126 60 D HN 0.662 nan 8.370 nan 0.000 0.467 61 N N -0.588 118.363 118.700 0.420 0.000 1.997 61 N HA -0.228 4.515 4.740 0.006 0.000 0.208 61 N C 1.280 176.825 175.510 0.058 0.000 1.299 61 N CA 3.062 56.216 53.050 0.173 0.000 3.527 61 N CB -1.554 37.012 38.487 0.133 0.000 0.748 61 N HN 0.517 nan 8.380 nan 0.000 0.365 62 T N -4.317 110.275 114.554 0.064 0.000 3.000 62 T HA 0.326 4.680 4.350 0.006 0.000 0.248 62 T C 0.668 175.383 174.700 0.025 0.000 1.034 62 T CA 0.904 63.021 62.100 0.030 0.000 1.060 62 T CB 0.683 69.568 68.868 0.028 0.000 0.983 62 T HN 0.180 nan 8.240 nan 0.000 0.482 63 T N 1.918 116.494 114.554 0.038 0.000 2.863 63 T HA 0.692 5.045 4.350 0.006 0.000 0.285 63 T C -0.793 173.943 174.700 0.061 0.000 1.009 63 T CA -0.632 61.486 62.100 0.031 0.000 0.989 63 T CB 1.729 70.601 68.868 0.007 0.000 1.004 63 T HN 0.190 nan 8.240 nan 0.000 0.455 64 L N 2.158 123.429 121.223 0.080 0.000 2.360 64 L HA 0.746 5.089 4.340 0.006 0.000 0.271 64 L C 0.647 177.589 176.870 0.121 0.000 1.057 64 L CA -0.820 54.110 54.840 0.149 0.000 0.803 64 L CB 1.067 43.260 42.059 0.224 0.000 1.207 64 L HN 0.697 nan 8.230 nan 0.000 0.445 65 A N 1.677 124.592 122.820 0.158 0.000 2.264 65 A HA 0.664 4.988 4.320 0.006 0.000 0.304 65 A C -0.235 177.489 177.584 0.234 0.000 1.100 65 A CA -0.312 51.811 52.037 0.143 0.000 0.839 65 A CB 0.940 20.022 19.000 0.137 0.000 1.121 65 A HN 0.614 nan 8.150 nan 0.000 0.496 66 S N -0.389 115.401 115.700 0.151 0.000 2.549 66 S HA 0.782 5.255 4.470 0.006 0.000 0.297 66 S C -0.850 173.838 174.600 0.147 0.000 1.115 66 S CA -0.269 57.993 58.200 0.102 0.000 1.059 66 S CB 0.697 63.884 63.200 -0.022 0.000 1.046 66 S HN 0.809 nan 8.310 nan 0.000 0.506 67 F N -0.529 119.444 119.950 0.037 0.000 2.643 67 F HA 0.858 5.388 4.527 0.005 0.000 0.314 67 F C -0.743 174.944 175.800 -0.187 0.000 1.096 67 F CA -0.698 57.211 58.000 -0.151 0.000 0.953 67 F CB 1.279 40.171 39.000 -0.180 0.000 1.345 67 F HN 0.351 nan 8.300 nan 0.000 0.468 68 T N 0.890 115.386 114.554 -0.096 0.000 2.952 68 T HA 0.593 4.946 4.350 0.006 0.000 0.305 68 T C -1.389 173.219 174.700 -0.153 0.000 1.064 68 T CA -0.637 61.401 62.100 -0.103 0.000 1.008 68 T CB 1.812 70.598 68.868 -0.136 0.000 1.078 68 T HN 0.955 nan 8.240 nan 0.000 0.459 69 T N 1.502 116.078 114.554 0.037 0.000 2.933 69 T HA 0.673 5.026 4.350 0.006 0.000 0.305 69 T C -1.332 173.495 174.700 0.211 0.000 1.092 69 T CA -0.401 61.798 62.100 0.165 0.000 1.008 69 T CB 1.219 70.344 68.868 0.429 0.000 1.102 69 T HN 0.471 nan 8.240 nan 0.000 0.469 70 S N 3.198 119.085 115.700 0.312 0.000 2.521 70 S HA 0.896 5.369 4.470 0.006 0.000 0.295 70 S C -1.308 173.617 174.600 0.542 0.000 1.098 70 S CA -0.680 57.672 58.200 0.252 0.000 0.999 70 S CB 0.700 63.978 63.200 0.129 0.000 1.034 70 S HN 0.665 nan 8.310 nan 0.000 0.483 71 F N -0.823 119.307 119.950 0.299 0.000 2.668 71 F HA 0.845 5.375 4.527 0.005 0.000 0.309 71 F C -0.757 175.143 175.800 0.166 0.000 1.117 71 F CA -0.850 57.349 58.000 0.332 0.000 0.951 71 F CB 1.080 40.339 39.000 0.432 0.000 1.323 71 F HN 0.334 nan 8.300 nan 0.000 0.451 72 S N 1.664 117.559 115.700 0.326 0.000 2.500 72 S HA 0.805 5.278 4.470 0.006 0.000 0.301 72 S C -1.252 173.477 174.600 0.215 0.000 1.092 72 S CA -0.624 57.633 58.200 0.095 0.000 1.030 72 S CB 1.378 64.598 63.200 0.034 0.000 1.031 72 S HN 0.721 nan 8.310 nan 0.000 0.483 73 F N 0.509 120.477 119.950 0.029 0.000 2.640 73 F HA 0.956 5.486 4.527 0.006 0.000 0.324 73 F C -1.328 174.483 175.800 0.019 0.000 1.077 73 F CA -1.188 56.822 58.000 0.016 0.000 0.965 73 F CB 0.840 39.839 39.000 -0.003 0.000 1.351 73 F HN 0.273 nan 8.300 nan 0.000 0.487 74 V N 2.352 122.447 119.914 0.301 0.000 2.760 74 V HA 0.498 4.621 4.120 0.006 0.000 0.309 74 V C -0.590 175.683 176.094 0.298 0.000 1.077 74 V CA -0.875 61.553 62.300 0.213 0.000 0.910 74 V CB 1.858 33.752 31.823 0.118 0.000 1.008 74 V HN 0.858 nan 8.190 nan 0.000 0.424 75 M N 3.558 123.328 119.600 0.283 0.000 2.243 75 M HA 0.780 5.264 4.480 0.006 0.000 0.324 75 M C -0.317 176.164 176.300 0.303 0.000 1.031 75 M CA -0.488 54.958 55.300 0.244 0.000 0.949 75 M CB 2.093 34.853 32.600 0.266 0.000 1.615 75 M HN 0.768 nan 8.290 nan 0.000 0.430 76 A N 2.756 125.690 122.820 0.189 0.000 2.318 76 A HA 0.946 5.269 4.320 0.006 0.000 0.324 76 A C -0.871 176.738 177.584 0.042 0.000 1.170 76 A CA -0.585 51.538 52.037 0.143 0.000 0.810 76 A CB 1.091 20.133 19.000 0.070 0.000 1.198 76 A HN 0.886 nan 8.150 nan 0.000 0.484 77 A N 3.533 126.318 122.820 -0.059 0.000 2.381 77 A HA 0.728 5.051 4.320 0.006 0.000 0.299 77 A C -1.941 175.548 177.584 -0.159 0.000 1.049 77 A CA -1.349 50.564 52.037 -0.206 0.000 0.715 77 A CB 0.749 19.414 19.000 -0.558 0.000 1.222 77 A HN 0.528 nan 8.150 nan 0.000 0.428 78 P HA -0.018 nan 4.420 nan 0.000 0.216 78 P C 0.430 177.673 177.300 -0.095 0.000 1.153 78 P CA 2.010 65.062 63.100 -0.080 0.000 0.858 78 P CB 0.286 31.950 31.700 -0.061 0.000 0.789 79 A N -1.255 121.490 122.820 -0.125 0.000 2.357 79 A HA 0.646 4.969 4.320 0.006 0.000 0.295 79 A C 0.771 178.237 177.584 -0.196 0.000 1.121 79 A CA -0.096 51.866 52.037 -0.124 0.000 0.742 79 A CB 1.269 20.222 19.000 -0.078 0.000 1.181 79 A HN 0.046 nan 8.150 nan 0.000 0.454 80 A N 1.695 124.377 122.820 -0.230 0.000 2.248 80 A HA 0.289 4.613 4.320 0.006 0.000 0.210 80 A C 1.834 179.315 177.584 -0.172 0.000 1.174 80 A CA 1.827 53.664 52.037 -0.334 0.000 0.750 80 A CB -0.272 18.598 19.000 -0.217 0.000 0.780 80 A HN 1.636 nan 8.150 nan 0.000 0.478 81 A N -0.915 121.840 122.820 -0.108 0.000 1.984 81 A HA 0.584 4.907 4.320 0.006 0.000 0.214 81 A C 1.250 178.815 177.584 -0.030 0.000 1.173 81 A CA 1.008 53.014 52.037 -0.052 0.000 0.673 81 A CB -0.135 18.844 19.000 -0.036 0.000 0.830 81 A HN 1.142 nan 8.150 nan 0.000 0.453 82 A N 0.467 123.261 122.820 -0.043 0.000 2.409 82 A HA 0.592 4.915 4.320 0.006 0.000 0.300 82 A C -0.489 177.092 177.584 -0.006 0.000 1.273 82 A CA -0.154 51.885 52.037 0.004 0.000 0.774 82 A CB 0.503 19.508 19.000 0.008 0.000 1.144 82 A HN 1.144 nan 8.150 nan 0.000 0.472 83 V N -1.212 118.735 119.914 0.055 0.000 3.049 83 V HA 1.050 5.173 4.120 0.006 0.000 0.309 83 V C -0.246 175.938 176.094 0.152 0.000 1.148 83 V CA -0.390 61.948 62.300 0.062 0.000 0.990 83 V CB 1.101 32.956 31.823 0.053 0.000 1.039 83 V HN 2.259 nan 8.190 nan 0.000 0.430 84 A N 1.023 123.920 122.820 0.128 0.000 2.583 84 A HA 0.708 5.031 4.320 0.006 0.000 0.292 84 A C -0.533 177.160 177.584 0.181 0.000 1.045 84 A CA -0.029 52.081 52.037 0.123 0.000 0.672 84 A CB 1.562 20.508 19.000 -0.090 0.000 1.283 84 A HN 0.808 nan 8.150 nan 0.000 0.419 85 D N -0.303 120.206 120.400 0.180 0.000 2.454 85 D HA 0.418 5.061 4.640 0.006 0.000 0.219 85 D C 0.838 177.223 176.300 0.141 0.000 1.081 85 D CA 1.663 55.731 54.000 0.113 0.000 0.867 85 D CB 1.383 42.198 40.800 0.025 0.000 1.054 85 D HN 1.458 nan 8.370 nan 0.000 0.500 86 G N 0.811 109.684 108.800 0.122 0.000 2.334 86 G HA2 0.240 4.203 3.960 0.006 0.000 0.315 86 G HA3 0.240 4.203 3.960 0.006 0.000 0.315 86 G C -1.945 172.830 174.900 -0.209 0.000 1.284 86 G CA -0.484 44.673 45.100 0.095 0.000 0.985 86 G HN 0.172 nan 8.290 nan 0.000 0.504 87 L N -2.926 118.263 121.223 -0.056 0.000 2.393 87 L HA 1.078 5.421 4.340 0.006 0.000 0.260 87 L C -0.101 176.846 176.870 0.130 0.000 1.002 87 L CA -0.539 54.246 54.840 -0.092 0.000 0.818 87 L CB 1.779 43.731 42.059 -0.178 0.000 1.369 87 L HN 2.278 nan 8.230 nan 0.000 0.412 88 A N 1.689 124.585 122.820 0.126 0.000 2.475 88 A HA 0.812 5.135 4.320 0.006 0.000 0.301 88 A C -1.560 176.228 177.584 0.339 0.000 1.059 88 A CA -0.432 51.744 52.037 0.232 0.000 0.710 88 A CB 1.232 20.276 19.000 0.073 0.000 1.288 88 A HN 0.889 nan 8.150 nan 0.000 0.408 89 F N 2.441 122.558 119.950 0.278 0.000 2.422 89 F HA 0.812 5.342 4.527 0.006 0.000 0.333 89 F C -0.839 175.089 175.800 0.214 0.000 1.095 89 F CA -0.991 57.080 58.000 0.117 0.000 1.038 89 F CB 1.086 40.186 39.000 0.166 0.000 1.156 89 F HN 0.670 nan 8.300 nan 0.000 0.483 90 F N 4.182 123.496 119.950 -1.061 0.000 2.693 90 F HA 0.755 5.285 4.527 0.005 0.000 0.309 90 F C -2.584 172.787 175.800 -0.716 0.000 1.129 90 F CA -1.669 55.941 58.000 -0.650 0.000 0.948 90 F CB 0.811 39.594 39.000 -0.361 0.000 1.315 90 F HN 0.337 nan 8.300 nan 0.000 0.447 91 L N 2.742 123.754 121.223 -0.352 0.000 2.334 91 L HA 1.016 5.359 4.340 0.006 0.000 0.276 91 L C -0.113 176.720 176.870 -0.061 0.000 1.014 91 L CA -0.510 54.136 54.840 -0.324 0.000 0.815 91 L CB 1.614 43.579 42.059 -0.157 0.000 1.268 91 L HN 1.163 nan 8.230 nan 0.000 0.428 92 A N 2.371 125.142 122.820 -0.083 0.000 2.586 92 A HA 0.847 5.170 4.320 0.006 0.000 0.290 92 A C -2.995 174.598 177.584 0.015 0.000 1.086 92 A CA -1.314 50.756 52.037 0.055 0.000 0.665 92 A CB 1.087 20.213 19.000 0.211 0.000 1.279 92 A HN 0.403 nan 8.150 nan 0.000 0.423 93 P HA 0.221 nan 4.420 nan 0.000 0.266 93 P C -1.992 175.315 177.300 0.011 0.000 1.195 93 P CA -0.701 62.419 63.100 0.035 0.000 0.768 93 P CB 0.205 31.931 31.700 0.044 0.000 0.838 94 P HA -0.235 nan 4.420 nan 0.000 0.218 94 P C 0.792 178.076 177.300 -0.027 0.000 1.150 94 P CA 1.693 64.779 63.100 -0.023 0.000 0.841 94 P CB -0.228 31.453 31.700 -0.031 0.000 0.784 95 D N -2.466 117.925 120.400 -0.015 0.000 2.340 95 D HA -0.032 4.611 4.640 0.006 0.000 0.220 95 D C 0.277 176.574 176.300 -0.004 0.000 1.039 95 D CA 0.184 54.174 54.000 -0.016 0.000 0.866 95 D CB -1.352 39.438 40.800 -0.017 0.000 0.913 95 D HN 0.017 nan 8.370 nan 0.000 0.523 96 T N 0.936 115.498 114.554 0.013 0.000 2.819 96 T HA -0.071 4.282 4.350 0.006 0.000 0.282 96 T C -0.022 174.686 174.700 0.013 0.000 1.013 96 T CA 0.281 62.400 62.100 0.032 0.000 1.159 96 T CB 0.245 69.168 68.868 0.092 0.000 1.007 96 T HN 0.054 nan 8.240 nan 0.000 0.514 97 Q N 4.709 124.506 119.800 -0.006 0.000 2.297 97 Q HA 0.458 4.801 4.340 0.006 0.000 0.268 97 Q C -2.415 173.552 176.000 -0.055 0.000 1.045 97 Q CA -2.444 53.344 55.803 -0.025 0.000 0.861 97 Q CB 1.426 30.148 28.738 -0.026 0.000 1.344 97 Q HN 0.513 nan 8.270 nan 0.000 0.452 98 P HA 0.028 nan 4.420 nan 0.000 0.268 98 P C -0.084 177.158 177.300 -0.097 0.000 1.205 98 P CA 0.184 63.222 63.100 -0.103 0.000 0.771 98 P CB 0.821 32.474 31.700 -0.079 0.000 0.858 99 Q N 1.406 121.126 119.800 -0.132 0.000 3.071 99 Q HA 0.565 4.908 4.340 0.006 0.000 0.204 99 Q C 0.126 176.074 176.000 -0.087 0.000 1.165 99 Q CA -0.561 55.180 55.803 -0.103 0.000 0.372 99 Q CB -0.413 28.253 28.738 -0.119 0.000 5.650 99 Q HN 0.464 nan 8.270 nan 0.000 0.309 100 A N 1.182 123.948 122.820 -0.089 0.000 2.340 100 A HA 0.431 4.755 4.320 0.006 0.000 0.268 100 A C 0.406 178.028 177.584 0.064 0.000 1.100 100 A CA -0.357 51.659 52.037 -0.036 0.000 0.803 100 A CB 0.306 19.223 19.000 -0.138 0.000 1.043 100 A HN 0.535 nan 8.150 nan 0.000 0.488 101 R N 1.343 121.890 120.500 0.078 0.000 2.527 101 R HA 0.706 5.049 4.340 0.006 0.000 0.236 101 R C 0.873 177.267 176.300 0.156 0.000 1.257 101 R CA -0.006 56.142 56.100 0.080 0.000 1.088 101 R CB -0.590 29.730 30.300 0.032 0.000 1.396 101 R HN 1.873 nan 8.270 nan 0.000 0.571 102 G N -0.700 108.148 108.800 0.081 0.000 2.556 102 G HA2 -0.373 3.590 3.960 0.006 0.000 0.283 102 G HA3 -0.373 3.590 3.960 0.006 0.000 0.283 102 G C 0.897 175.828 174.900 0.051 0.000 1.177 102 G CA 0.390 45.523 45.100 0.055 0.000 0.978 102 G HN 0.880 nan 8.290 nan 0.000 0.554 103 G N -0.689 108.120 108.800 0.015 0.000 2.509 103 G HA2 0.199 4.162 3.960 0.006 0.000 0.218 103 G HA3 0.199 4.162 3.960 0.006 0.000 0.218 103 G C 1.416 176.327 174.900 0.019 0.000 1.124 103 G CA 1.475 46.574 45.100 -0.001 0.000 0.776 103 G HN 0.527 nan 8.290 nan 0.000 0.547 104 F N -0.212 119.872 119.950 0.223 0.000 2.811 104 F HA 0.351 4.881 4.527 0.006 0.000 0.301 104 F C 1.391 177.188 175.800 -0.005 0.000 1.151 104 F CA -0.201 57.872 58.000 0.122 0.000 1.412 104 F CB -0.054 38.979 39.000 0.055 0.000 1.113 104 F HN -0.095 nan 8.300 nan 0.000 0.579 105 L N 0.025 121.306 121.223 0.095 0.000 4.367 105 L HA -0.315 4.028 4.340 0.006 0.000 0.424 105 L C 1.410 178.190 176.870 -0.150 0.000 1.152 105 L CA 0.616 55.429 54.840 -0.045 0.000 0.974 105 L CB -2.203 39.817 42.059 -0.065 0.000 2.012 105 L HN 0.491 nan 8.230 nan 0.000 0.922 106 G N -1.065 107.667 108.800 -0.112 0.000 2.153 106 G HA2 -0.317 3.646 3.960 0.006 0.000 0.252 106 G HA3 -0.317 3.646 3.960 0.006 0.000 0.252 106 G C 0.573 175.241 174.900 -0.386 0.000 0.994 106 G CA 0.459 45.441 45.100 -0.196 0.000 0.698 106 G HN 0.417 nan 8.290 nan 0.000 0.521 107 L N -2.347 118.559 121.223 -0.529 0.000 2.577 107 L HA 0.487 4.830 4.340 0.006 0.000 0.225 107 L C 0.771 176.943 176.870 -1.163 0.000 1.053 107 L CA 0.240 54.468 54.840 -1.020 0.000 0.866 107 L CB 0.178 41.364 42.059 -1.455 0.000 1.132 107 L HN 0.148 nan 8.230 nan 0.000 0.486 108 F N -1.733 118.047 119.950 -0.283 0.000 2.631 108 F HA 0.570 5.100 4.527 0.005 0.000 0.328 108 F C 0.882 176.521 175.800 -0.268 0.000 1.067 108 F CA -0.655 57.108 58.000 -0.394 0.000 0.969 108 F CB 1.217 39.923 39.000 -0.489 0.000 1.332 108 F HN -0.331 nan 8.300 nan 0.000 0.490 109 A N -0.519 122.335 122.820 0.057 0.000 1.997 109 A HA 0.302 4.625 4.320 0.006 0.000 0.212 109 A C -0.101 177.172 177.584 -0.518 0.000 1.178 109 A CA 1.476 53.417 52.037 -0.159 0.000 0.698 109 A CB -0.577 18.426 19.000 0.004 0.000 0.842 109 A HN 0.862 nan 8.150 nan 0.000 0.458 110 D N -2.969 117.155 120.400 -0.459 0.000 3.309 110 D HA 0.233 4.876 4.640 0.006 0.000 0.335 110 D C 0.343 176.556 176.300 -0.144 0.000 1.393 110 D CA -0.282 53.392 54.000 -0.544 0.000 0.963 110 D CB -0.150 40.523 40.800 -0.211 0.000 1.431 110 D HN 0.046 nan 8.370 nan 0.000 0.583 111 R N -0.177 120.323 120.500 0.000 0.000 2.359 111 R HA 0.665 5.009 4.340 0.006 0.000 0.231 111 R C -0.018 176.201 176.300 -0.134 0.000 0.913 111 R CA -0.404 55.618 56.100 -0.129 0.000 1.075 111 R CB 0.204 30.389 30.300 -0.192 0.000 1.087 111 R HN 0.350 nan 8.270 nan 0.000 0.515 112 A N 1.451 124.236 122.820 -0.058 0.000 2.302 112 A HA 0.187 4.511 4.320 0.006 0.000 0.285 112 A C -0.956 176.627 177.584 -0.001 0.000 1.105 112 A CA -0.583 51.445 52.037 -0.015 0.000 0.816 112 A CB 0.218 19.222 19.000 0.007 0.000 1.067 112 A HN 0.563 nan 8.150 nan 0.000 0.489 113 H N 0.546 119.572 119.070 -0.073 0.000 2.690 113 H HA 0.465 5.025 4.556 0.005 0.000 0.314 113 H C -1.213 174.116 175.328 0.001 0.000 1.069 113 H CA 0.229 56.241 56.048 -0.059 0.000 1.436 113 H CB 0.698 30.422 29.762 -0.063 0.000 1.462 113 H HN 0.533 nan 8.280 nan 0.000 0.511 114 D N 3.493 123.708 120.400 -0.308 0.000 2.602 114 D HA 0.198 4.841 4.640 0.006 0.000 0.245 114 D C 0.521 176.666 176.300 -0.258 0.000 1.325 114 D CA -0.095 53.764 54.000 -0.235 0.000 0.952 114 D CB 1.156 41.788 40.800 -0.281 0.000 1.317 114 D HN 0.719 nan 8.370 nan 0.000 0.577 115 A N 2.519 125.217 122.820 -0.203 0.000 2.186 115 A HA -0.126 4.197 4.320 0.006 0.000 0.219 115 A C 1.748 179.300 177.584 -0.053 0.000 1.159 115 A CA 1.779 53.756 52.037 -0.099 0.000 0.680 115 A CB -0.354 18.644 19.000 -0.003 0.000 0.787 115 A HN 0.527 nan 8.150 nan 0.000 0.467 116 S N -2.297 113.335 115.700 -0.113 0.000 2.593 116 S HA 0.066 4.539 4.470 0.006 0.000 0.217 116 S C 1.350 175.902 174.600 -0.081 0.000 0.966 116 S CA 0.149 58.287 58.200 -0.103 0.000 0.914 116 S CB -0.622 62.486 63.200 -0.154 0.000 0.776 116 S HN 0.486 nan 8.310 nan 0.000 0.523 117 Y N 1.665 121.957 120.300 -0.015 0.000 2.337 117 Y HA 0.216 4.769 4.550 0.006 0.000 0.293 117 Y C 1.264 177.194 175.900 0.049 0.000 1.123 117 Y CA 0.467 58.591 58.100 0.040 0.000 1.201 117 Y CB -0.578 37.954 38.460 0.121 0.000 1.011 117 Y HN 0.357 nan 8.280 nan 0.000 0.545 118 Q N 0.588 120.505 119.800 0.195 0.000 2.423 118 Q HA -0.200 4.143 4.340 0.006 0.000 0.332 118 Q C -0.681 175.414 176.000 0.160 0.000 1.355 118 Q CA 0.849 56.737 55.803 0.142 0.000 0.947 118 Q CB -1.845 26.956 28.738 0.105 0.000 1.189 118 Q HN 0.195 nan 8.270 nan 0.000 0.418 119 T N -0.191 114.480 114.554 0.195 0.000 2.886 119 T HA 0.611 4.964 4.350 0.006 0.000 0.292 119 T C -0.550 174.259 174.700 0.180 0.000 1.012 119 T CA -0.561 61.644 62.100 0.175 0.000 0.982 119 T CB 2.023 70.968 68.868 0.129 0.000 1.018 119 T HN 0.052 nan 8.240 nan 0.000 0.451 120 V N 2.315 122.325 119.914 0.161 0.000 2.540 120 V HA 0.924 5.047 4.120 0.006 0.000 0.302 120 V C -0.312 175.893 176.094 0.184 0.000 1.035 120 V CA -0.653 61.747 62.300 0.166 0.000 0.873 120 V CB 1.554 33.463 31.823 0.144 0.000 0.992 120 V HN 1.114 nan 8.190 nan 0.000 0.428 121 A N 3.939 126.877 122.820 0.196 0.000 2.539 121 A HA 0.900 5.224 4.320 0.006 0.000 0.296 121 A C -1.438 176.269 177.584 0.205 0.000 1.073 121 A CA -0.580 51.580 52.037 0.205 0.000 0.700 121 A CB 2.224 21.299 19.000 0.125 0.000 1.296 121 A HN 0.630 nan 8.150 nan 0.000 0.405 122 V N 2.444 122.511 119.914 0.255 0.000 2.350 122 V HA 0.428 4.552 4.120 0.006 0.000 0.285 122 V C -0.274 175.814 176.094 -0.010 0.000 1.014 122 V CA -0.312 62.068 62.300 0.133 0.000 0.831 122 V CB 1.082 33.042 31.823 0.229 0.000 1.000 122 V HN 1.000 nan 8.190 nan 0.000 0.433 123 E N 4.186 124.275 120.200 -0.185 0.000 2.207 123 E HA 0.667 5.020 4.350 0.006 0.000 0.270 123 E C -1.525 174.734 176.600 -0.568 0.000 0.927 123 E CA -0.772 55.505 56.400 -0.206 0.000 0.799 123 E CB 1.812 31.498 29.700 -0.024 0.000 1.172 123 E HN 0.410 nan 8.360 nan 0.000 0.404 124 F N 1.574 121.522 119.950 -0.002 0.000 2.310 124 F HA 0.229 4.760 4.527 0.006 0.000 0.365 124 F C -0.209 175.615 175.800 0.041 0.000 1.080 124 F CA -0.961 57.029 58.000 -0.016 0.000 1.187 124 F CB 0.858 39.831 39.000 -0.045 0.000 1.465 124 F HN 0.439 nan 8.300 nan 0.000 0.496 125 D N 1.643 122.052 120.400 0.016 0.000 2.313 125 D HA 0.147 4.791 4.640 0.006 0.000 0.239 125 D C 0.972 177.275 176.300 0.004 0.000 1.142 125 D CA -0.037 53.908 54.000 -0.091 0.000 0.847 125 D CB 1.333 41.846 40.800 -0.478 0.000 1.082 125 D HN 0.522 nan 8.370 nan 0.000 0.480 126 T N 0.876 115.514 114.554 0.141 0.000 3.069 126 T HA 0.139 4.493 4.350 0.006 0.000 0.252 126 T C 0.143 174.964 174.700 0.202 0.000 1.053 126 T CA -0.293 61.919 62.100 0.186 0.000 0.964 126 T CB -0.234 68.800 68.868 0.276 0.000 1.005 126 T HN 0.344 nan 8.240 nan 0.000 0.532 127 Y N 0.984 121.302 120.300 0.030 0.000 2.396 127 Y HA 0.557 5.110 4.550 0.005 0.000 0.332 127 Y C -1.061 174.808 175.900 -0.052 0.000 1.034 127 Y CA -1.203 56.893 58.100 -0.006 0.000 1.057 127 Y CB 2.102 40.551 38.460 -0.019 0.000 1.220 127 Y HN -0.043 nan 8.280 nan 0.000 0.440 128 S N 5.482 120.829 115.700 -0.589 0.000 2.405 128 S HA 0.240 4.713 4.470 0.006 0.000 0.291 128 S C -0.410 173.886 174.600 -0.506 0.000 1.137 128 S CA -0.325 57.613 58.200 -0.437 0.000 1.061 128 S CB -0.458 62.498 63.200 -0.407 0.000 1.001 128 S HN 0.680 nan 8.310 nan 0.000 0.507 129 N N 1.371 119.788 118.700 -0.471 0.000 2.458 129 N HA 0.452 5.195 4.740 0.006 0.000 0.271 129 N C 1.307 176.356 175.510 -0.769 0.000 1.210 129 N CA -0.141 52.463 53.050 -0.743 0.000 0.978 129 N CB 0.352 37.870 38.487 -1.614 0.000 1.206 129 N HN 0.518 nan 8.380 nan 0.000 0.536 130 A N 0.133 122.568 122.820 -0.640 0.000 2.032 130 A HA -0.157 4.166 4.320 0.006 0.000 0.221 130 A C 1.023 178.486 177.584 -0.202 0.000 1.165 130 A CA 1.532 53.386 52.037 -0.304 0.000 0.645 130 A CB -0.866 18.072 19.000 -0.104 0.000 0.807 130 A HN 0.902 nan 8.150 nan 0.000 0.453 131 W N -0.545 120.728 121.300 -0.045 0.000 3.400 131 W HA 0.538 5.202 4.660 0.007 0.000 0.347 131 W C -1.076 175.393 176.519 -0.083 0.000 1.218 131 W CA -1.022 56.291 57.345 -0.053 0.000 1.837 131 W CB -0.275 29.163 29.460 -0.037 0.000 1.067 131 W HN -0.060 nan 8.180 nan 0.000 0.701 132 D N 0.867 121.130 120.400 -0.227 0.000 2.350 132 D HA 0.357 5.000 4.640 0.006 0.000 0.238 132 D C -2.294 173.810 176.300 -0.328 0.000 0.989 132 D CA -1.887 51.970 54.000 -0.239 0.000 0.921 132 D CB 1.507 42.161 40.800 -0.244 0.000 1.297 132 D HN -0.308 nan 8.370 nan 0.000 0.490 133 P HA 0.170 nan 4.420 nan 0.000 0.270 133 P C -0.012 176.906 177.300 -0.636 0.000 1.223 133 P CA -0.121 62.580 63.100 -0.666 0.000 0.785 133 P CB 0.451 31.432 31.700 -1.198 0.000 0.923 134 N N -0.373 118.031 118.700 -0.494 0.000 2.567 134 N HA -0.032 4.712 4.740 0.006 0.000 0.195 134 N C -0.425 175.003 175.510 -0.137 0.000 1.242 134 N CA 0.219 53.120 53.050 -0.248 0.000 0.884 134 N CB -0.657 37.794 38.487 -0.061 0.000 1.007 134 N HN 0.488 nan 8.380 nan 0.000 0.450 135 Y N -3.627 116.667 120.300 -0.012 0.000 2.524 135 Y HA 0.469 5.022 4.550 0.006 0.000 0.347 135 Y C 0.105 176.094 175.900 0.147 0.000 1.005 135 Y CA -1.776 56.340 58.100 0.028 0.000 1.025 135 Y CB 0.153 38.625 38.460 0.020 0.000 1.275 135 Y HN -0.285 nan 8.280 nan 0.000 0.460 136 T N 4.926 119.629 114.554 0.247 0.000 2.872 136 T HA 0.092 4.446 4.350 0.006 0.000 0.292 136 T C -0.439 174.519 174.700 0.431 0.000 1.036 136 T CA 1.125 63.332 62.100 0.178 0.000 1.136 136 T CB -0.645 68.165 68.868 -0.096 0.000 1.052 136 T HN 0.937 nan 8.240 nan 0.000 0.512 137 H N 0.107 119.434 119.070 0.428 0.000 3.037 137 H HA 0.466 5.025 4.556 0.005 0.000 0.336 137 H C -1.372 174.152 175.328 0.327 0.000 1.323 137 H CA -1.173 55.168 56.048 0.488 0.000 1.159 137 H CB 0.563 30.495 29.762 0.285 0.000 1.882 137 H HN 0.454 nan 8.280 nan 0.000 0.535 138 I N 1.076 121.747 120.570 0.168 0.000 2.428 138 I HA 0.539 4.713 4.170 0.006 0.000 0.296 138 I C 0.595 176.738 176.117 0.044 0.000 0.985 138 I CA -0.211 60.984 61.300 -0.175 0.000 1.260 138 I CB 1.757 39.557 38.000 -0.333 0.000 1.389 138 I HN 0.780 nan 8.210 nan 0.000 0.484 139 G N 6.104 114.881 108.800 -0.039 0.000 2.659 139 G HA2 0.672 4.635 3.960 0.006 0.000 0.296 139 G HA3 0.672 4.635 3.960 0.006 0.000 0.296 139 G C -1.183 173.738 174.900 0.036 0.000 1.369 139 G CA -0.484 44.671 45.100 0.091 0.000 0.937 139 G HN 0.443 nan 8.290 nan 0.000 0.485 140 I N 1.931 122.547 120.570 0.076 0.000 2.330 140 I HA 0.214 4.387 4.170 0.006 0.000 0.286 140 I C -0.968 175.212 176.117 0.105 0.000 1.025 140 I CA -0.718 60.637 61.300 0.090 0.000 1.197 140 I CB 1.560 39.615 38.000 0.092 0.000 1.358 140 I HN 0.230 nan 8.210 nan 0.000 0.467 141 D N 5.178 125.654 120.400 0.127 0.000 2.359 141 D HA 0.232 4.875 4.640 0.006 0.000 0.230 141 D C -0.137 176.246 176.300 0.139 0.000 1.118 141 D CA -0.041 54.037 54.000 0.131 0.000 0.844 141 D CB 1.596 42.519 40.800 0.205 0.000 1.059 141 D HN 0.309 nan 8.370 nan 0.000 0.493 142 T N 3.148 117.762 114.554 0.100 0.000 2.853 142 T HA 0.148 4.502 4.350 0.006 0.000 0.317 142 T C 0.458 175.195 174.700 0.062 0.000 1.059 142 T CA -0.630 61.538 62.100 0.113 0.000 0.954 142 T CB 0.119 69.064 68.868 0.128 0.000 0.994 142 T HN 0.255 nan 8.240 nan 0.000 0.479 143 N N 1.744 120.478 118.700 0.056 0.000 2.725 143 N HA -0.138 4.606 4.740 0.006 0.000 0.249 143 N C 0.152 175.425 175.510 -0.396 0.000 1.103 143 N CA 1.561 54.587 53.050 -0.041 0.000 0.707 143 N CB -1.050 37.350 38.487 -0.145 0.000 1.043 143 N HN 1.006 nan 8.380 nan 0.000 0.553 144 G N -1.252 107.061 108.800 -0.811 0.000 2.411 144 G HA2 0.411 4.374 3.960 0.006 0.000 0.295 144 G HA3 0.411 4.374 3.960 0.006 0.000 0.295 144 G C 0.440 174.614 174.900 -1.211 0.000 1.542 144 G CA -0.468 43.888 45.100 -1.241 0.000 0.814 144 G HN 0.049 nan 8.290 nan 0.000 0.557 145 I N -0.045 119.862 120.570 -1.105 0.000 2.546 145 I HA 0.139 4.312 4.170 0.006 0.000 0.255 145 I C 1.201 177.151 176.117 -0.277 0.000 1.163 145 I CA 0.749 61.773 61.300 -0.460 0.000 1.457 145 I CB 0.032 37.785 38.000 -0.412 0.000 1.092 145 I HN 0.581 nan 8.210 nan 0.000 0.434 146 E N 1.396 121.406 120.200 -0.316 0.000 1.865 146 E HA 0.112 4.465 4.350 0.006 0.000 0.269 146 E C -0.164 176.430 176.600 -0.010 0.000 1.177 146 E CA -0.207 56.138 56.400 -0.090 0.000 0.932 146 E CB 0.193 29.841 29.700 -0.086 0.000 1.066 146 E HN 0.272 nan 8.360 nan 0.000 0.405 147 S N 3.593 119.331 115.700 0.063 0.000 2.571 147 S HA -0.124 4.349 4.470 0.006 0.000 0.298 147 S C 0.954 175.582 174.600 0.047 0.000 1.280 147 S CA 0.220 58.463 58.200 0.071 0.000 1.052 147 S CB 0.773 64.038 63.200 0.109 0.000 0.799 147 S HN 0.571 nan 8.310 nan 0.000 0.501 148 K N 1.603 122.035 120.400 0.053 0.000 2.305 148 K HA 0.138 4.461 4.320 0.006 0.000 0.199 148 K C 0.420 177.048 176.600 0.046 0.000 1.047 148 K CA 1.000 57.314 56.287 0.045 0.000 0.976 148 K CB 0.182 32.717 32.500 0.059 0.000 0.765 148 K HN 0.530 nan 8.250 nan 0.000 0.474 149 K N -0.260 120.175 120.400 0.058 0.000 2.572 149 K HA 0.170 4.493 4.320 0.006 0.000 0.263 149 K C -1.823 174.822 176.600 0.075 0.000 0.932 149 K CA -0.514 55.810 56.287 0.060 0.000 0.838 149 K CB 1.610 34.148 32.500 0.063 0.000 1.366 149 K HN 0.082 nan 8.250 nan 0.000 0.425 150 T N -0.960 113.643 114.554 0.081 0.000 2.883 150 T HA 0.680 5.033 4.350 0.006 0.000 0.301 150 T C -0.712 174.080 174.700 0.153 0.000 1.158 150 T CA -0.745 61.428 62.100 0.121 0.000 1.007 150 T CB 1.703 70.614 68.868 0.072 0.000 1.186 150 T HN 0.589 nan 8.240 nan 0.000 0.499 151 T N -0.690 113.984 114.554 0.200 0.000 2.909 151 T HA 0.773 5.126 4.350 0.006 0.000 0.299 151 T C -3.200 171.686 174.700 0.309 0.000 1.073 151 T CA -1.940 60.289 62.100 0.216 0.000 0.999 151 T CB 1.768 70.736 68.868 0.166 0.000 1.098 151 T HN 0.586 nan 8.240 nan 0.000 0.477 152 P HA 0.548 nan 4.420 nan 0.000 0.276 152 P C -1.052 176.376 177.300 0.213 0.000 1.244 152 P CA -0.336 62.921 63.100 0.262 0.000 0.801 152 P CB 0.355 31.934 31.700 -0.202 0.000 1.006 153 F N -1.262 118.616 119.950 -0.119 0.000 2.713 153 F HA 0.540 5.070 4.527 0.006 0.000 0.311 153 F C -1.848 173.827 175.800 -0.208 0.000 1.141 153 F CA -1.251 56.435 58.000 -0.524 0.000 0.939 153 F CB 0.964 39.371 39.000 -0.990 0.000 1.325 153 F HN 0.059 nan 8.300 nan 0.000 0.453 154 D N 3.631 123.730 120.400 -0.501 0.000 2.308 154 D HA 0.293 4.936 4.640 0.006 0.000 0.242 154 D C -0.362 175.666 176.300 -0.454 0.000 1.059 154 D CA -0.237 53.503 54.000 -0.432 0.000 0.830 154 D CB 2.186 42.913 40.800 -0.122 0.000 1.161 154 D HN 0.393 nan 8.370 nan 0.000 0.494 155 M N 1.581 120.855 119.600 -0.543 0.000 2.233 155 M HA 0.177 4.660 4.480 0.006 0.000 0.350 155 M C -0.359 175.654 176.300 -0.477 0.000 1.176 155 M CA -0.452 54.613 55.300 -0.392 0.000 1.150 155 M CB 1.385 33.699 32.600 -0.477 0.000 1.530 155 M HN 0.076 nan 8.290 nan 0.000 0.459 156 V N 5.603 125.051 119.914 -0.776 0.000 2.334 156 V HA 0.269 4.392 4.120 0.006 0.000 0.281 156 V C -0.617 175.240 176.094 -0.395 0.000 1.016 156 V CA -0.732 61.199 62.300 -0.615 0.000 0.832 156 V CB 0.577 31.844 31.823 -0.927 0.000 0.999 156 V HN 0.612 nan 8.190 nan 0.000 0.439 157 Y N 2.430 122.679 120.300 -0.085 0.000 2.304 157 Y HA 0.529 5.082 4.550 0.006 0.000 0.327 157 Y C 1.553 177.452 175.900 -0.002 0.000 1.209 157 Y CA 1.245 59.346 58.100 0.001 0.000 1.299 157 Y CB 1.270 39.731 38.460 0.001 0.000 1.249 157 Y HN 0.844 nan 8.280 nan 0.000 0.519 158 G N 1.260 110.159 108.800 0.165 0.000 2.205 158 G HA2 -0.301 3.663 3.960 0.006 0.000 0.261 158 G HA3 -0.301 3.663 3.960 0.006 0.000 0.261 158 G C 0.046 174.985 174.900 0.066 0.000 0.980 158 G CA 0.181 45.343 45.100 0.102 0.000 0.632 158 G HN 0.610 nan 8.290 nan 0.000 0.533 159 E N 0.628 120.864 120.200 0.060 0.000 2.166 159 E HA 0.488 4.842 4.350 0.006 0.000 0.275 159 E C 0.254 176.900 176.600 0.077 0.000 0.941 159 E CA -0.905 55.538 56.400 0.072 0.000 0.784 159 E CB 0.582 30.326 29.700 0.075 0.000 1.115 159 E HN 0.181 nan 8.360 nan 0.000 0.399 160 K N 2.919 123.331 120.400 0.020 0.000 2.412 160 K HA 0.193 4.517 4.320 0.006 0.000 0.284 160 K C -0.989 175.506 176.600 -0.174 0.000 1.046 160 K CA -0.004 56.237 56.287 -0.076 0.000 0.999 160 K CB 0.552 33.028 32.500 -0.041 0.000 0.941 160 K HN 0.506 nan 8.250 nan 0.000 0.474 161 A N 4.542 127.063 122.820 -0.499 0.000 2.306 161 A HA 0.426 4.749 4.320 0.006 0.000 0.330 161 A C -0.881 176.324 177.584 -0.631 0.000 1.146 161 A CA -0.915 50.664 52.037 -0.764 0.000 0.827 161 A CB 0.698 18.834 19.000 -1.441 0.000 1.178 161 A HN 0.809 nan 8.150 nan 0.000 0.490 162 N N 0.917 119.321 118.700 -0.494 0.000 2.417 162 N HA 0.552 5.296 4.740 0.006 0.000 0.274 162 N C -1.197 174.089 175.510 -0.374 0.000 0.987 162 N CA -0.066 52.776 53.050 -0.347 0.000 0.912 162 N CB 1.412 39.775 38.487 -0.207 0.000 1.177 162 N HN 0.552 nan 8.380 nan 0.000 0.490 163 I N 1.235 121.531 120.570 -0.457 0.000 2.530 163 I HA 0.495 4.668 4.170 0.006 0.000 0.297 163 I C -0.521 175.380 176.117 -0.361 0.000 1.011 163 I CA -1.040 59.970 61.300 -0.482 0.000 1.107 163 I CB 2.079 39.515 38.000 -0.939 0.000 1.285 163 I HN -0.029 nan 8.210 nan 0.000 0.436 164 V N 6.915 126.722 119.914 -0.180 0.000 2.623 164 V HA 0.487 4.610 4.120 0.006 0.000 0.304 164 V C -0.453 175.625 176.094 -0.027 0.000 1.054 164 V CA -0.388 61.859 62.300 -0.089 0.000 0.882 164 V CB 2.193 33.977 31.823 -0.065 0.000 1.002 164 V HN 0.469 nan 8.190 nan 0.000 0.424 165 I N 3.973 124.549 120.570 0.010 0.000 2.447 165 I HA 0.552 4.726 4.170 0.006 0.000 0.287 165 I C -0.147 175.987 176.117 0.029 0.000 1.023 165 I CA -0.301 61.033 61.300 0.056 0.000 1.083 165 I CB 2.235 40.299 38.000 0.106 0.000 1.245 165 I HN 0.675 nan 8.210 nan 0.000 0.434 166 T N 4.744 119.274 114.554 -0.040 0.000 2.863 166 T HA 0.481 4.834 4.350 0.006 0.000 0.285 166 T C -1.457 173.097 174.700 -0.243 0.000 1.009 166 T CA -0.463 61.538 62.100 -0.165 0.000 0.989 166 T CB 1.383 70.169 68.868 -0.136 0.000 1.004 166 T HN 0.427 nan 8.240 nan 0.000 0.455 167 Y N 3.485 123.366 120.300 -0.698 0.000 2.328 167 Y HA 0.487 5.040 4.550 0.005 0.000 0.337 167 Y C 0.010 175.692 175.900 -0.364 0.000 0.966 167 Y CA -0.769 56.976 58.100 -0.592 0.000 1.136 167 Y CB 1.495 39.374 38.460 -0.969 0.000 1.170 167 Y HN 0.780 nan 8.280 nan 0.000 0.470 168 Q N 5.180 124.569 119.800 -0.685 0.000 2.331 168 Q HA 0.465 4.808 4.340 0.006 0.000 0.257 168 Q C 0.225 175.852 176.000 -0.621 0.000 0.957 168 Q CA 0.077 55.585 55.803 -0.491 0.000 0.923 168 Q CB 1.710 30.259 28.738 -0.315 0.000 1.212 168 Q HN 1.018 nan 8.270 nan 0.000 0.443 169 A N 2.878 125.486 122.820 -0.354 0.000 1.933 169 A HA -0.190 4.133 4.320 0.006 0.000 0.218 169 A C 1.977 179.464 177.584 -0.161 0.000 1.175 169 A CA 2.026 53.941 52.037 -0.204 0.000 0.628 169 A CB -0.575 18.407 19.000 -0.030 0.000 0.814 169 A HN 0.861 nan 8.150 nan 0.000 0.444 170 S N -0.624 114.990 115.700 -0.143 0.000 2.428 170 S HA -0.111 4.362 4.470 0.006 0.000 0.230 170 S C 1.671 176.209 174.600 -0.102 0.000 1.014 170 S CA 1.753 59.895 58.200 -0.096 0.000 0.957 170 S CB -0.907 62.246 63.200 -0.077 0.000 0.784 170 S HN 0.803 nan 8.310 nan 0.000 0.499 171 T N -1.547 112.918 114.554 -0.149 0.000 3.054 171 T HA 0.346 4.700 4.350 0.006 0.000 0.255 171 T C 0.306 174.918 174.700 -0.147 0.000 1.035 171 T CA -0.297 61.728 62.100 -0.125 0.000 0.941 171 T CB -0.618 68.179 68.868 -0.118 0.000 1.026 171 T HN 0.441 nan 8.240 nan 0.000 0.533 172 K N 0.864 121.122 120.400 -0.238 0.000 3.077 172 K HA -0.133 4.190 4.320 0.006 0.000 0.264 172 K C 0.032 176.517 176.600 -0.191 0.000 1.008 172 K CA 0.288 56.437 56.287 -0.230 0.000 0.740 172 K CB -2.296 30.212 32.500 0.014 0.000 1.273 172 K HN 0.678 nan 8.250 nan 0.000 0.477 173 A N 1.047 123.658 122.820 -0.348 0.000 2.292 173 A HA 0.642 4.965 4.320 0.006 0.000 0.319 173 A C -0.279 177.233 177.584 -0.119 0.000 1.206 173 A CA -0.693 51.249 52.037 -0.158 0.000 0.835 173 A CB 0.911 19.831 19.000 -0.134 0.000 1.164 173 A HN 0.310 nan 8.150 nan 0.000 0.505 174 L N 2.472 123.765 121.223 0.116 0.000 2.313 174 L HA 0.733 5.076 4.340 0.006 0.000 0.283 174 L C -0.041 176.887 176.870 0.097 0.000 1.013 174 L CA -0.383 54.586 54.840 0.215 0.000 0.816 174 L CB 1.468 43.705 42.059 0.297 0.000 1.236 174 L HN 0.839 nan 8.230 nan 0.000 0.419 175 A N 4.098 126.952 122.820 0.057 0.000 2.414 175 A HA 0.914 5.238 4.320 0.006 0.000 0.306 175 A C -1.170 176.444 177.584 0.051 0.000 1.054 175 A CA -0.380 51.680 52.037 0.038 0.000 0.724 175 A CB 1.840 20.838 19.000 -0.003 0.000 1.267 175 A HN 0.797 nan 8.150 nan 0.000 0.418 176 A N 1.125 123.979 122.820 0.057 0.000 2.414 176 A HA 0.890 5.213 4.320 0.006 0.000 0.306 176 A C -0.176 177.442 177.584 0.056 0.000 1.054 176 A CA 0.076 52.154 52.037 0.067 0.000 0.724 176 A CB 1.336 20.388 19.000 0.087 0.000 1.267 176 A HN 2.173 nan 8.150 nan 0.000 0.418 177 S N 0.946 116.673 115.700 0.045 0.000 2.549 177 S HA 0.791 5.264 4.470 0.006 0.000 0.280 177 S C -1.175 173.442 174.600 0.028 0.000 1.109 177 S CA -0.639 57.585 58.200 0.040 0.000 0.905 177 S CB 1.507 64.710 63.200 0.006 0.000 1.081 177 S HN 1.800 nan 8.310 nan 0.000 0.477 178 L N 2.402 123.656 121.223 0.051 0.000 2.408 178 L HA 0.902 5.245 4.340 0.006 0.000 0.268 178 L C -1.208 175.628 176.870 -0.056 0.000 0.986 178 L CA -0.624 54.202 54.840 -0.024 0.000 0.820 178 L CB 1.950 44.046 42.059 0.061 0.000 1.303 178 L HN 1.029 nan 8.230 nan 0.000 0.411 179 V N 3.412 123.205 119.914 -0.201 0.000 2.686 179 V HA 0.610 4.733 4.120 0.006 0.000 0.306 179 V C -1.555 174.377 176.094 -0.270 0.000 1.065 179 V CA -0.381 61.823 62.300 -0.160 0.000 0.894 179 V CB 1.829 33.595 31.823 -0.094 0.000 1.004 179 V HN 0.633 nan 8.190 nan 0.000 0.424 180 F N 8.394 128.338 119.950 -0.009 0.000 2.334 180 F HA 0.544 5.074 4.527 0.006 0.000 0.365 180 F C -1.165 174.613 175.800 -0.037 0.000 1.124 180 F CA -2.022 55.959 58.000 -0.031 0.000 1.166 180 F CB 1.730 40.742 39.000 0.019 0.000 1.355 180 F HN 0.457 nan 8.300 nan 0.000 0.532 181 P HA -0.124 nan 4.420 nan 0.000 0.221 181 P C 1.407 178.734 177.300 0.044 0.000 1.150 181 P CA 1.111 64.231 63.100 0.033 0.000 0.800 181 P CB 0.602 32.300 31.700 -0.004 0.000 0.787 182 V N -0.038 119.913 119.914 0.062 0.000 2.599 182 V HA -0.041 4.082 4.120 0.006 0.000 0.245 182 V C 2.519 178.635 176.094 0.037 0.000 1.046 182 V CA 1.771 64.095 62.300 0.039 0.000 1.065 182 V CB -1.095 30.747 31.823 0.033 0.000 0.703 182 V HN 0.119 nan 8.190 nan 0.000 0.464 183 S N -0.978 114.755 115.700 0.055 0.000 2.522 183 S HA -0.066 4.407 4.470 0.006 0.000 0.227 183 S C 0.844 175.468 174.600 0.040 0.000 0.986 183 S CA 0.247 58.464 58.200 0.028 0.000 0.929 183 S CB -0.161 63.031 63.200 -0.012 0.000 0.769 183 S HN 0.704 nan 8.310 nan 0.000 0.529 184 Q N 0.751 120.586 119.800 0.059 0.000 2.487 184 Q HA -0.147 4.196 4.340 0.006 0.000 0.279 184 Q C -0.329 175.683 176.000 0.019 0.000 1.228 184 Q CA 0.869 56.691 55.803 0.032 0.000 0.873 184 Q CB -2.286 26.458 28.738 0.009 0.000 1.260 184 Q HN 0.665 nan 8.270 nan 0.000 0.471 185 T N -2.460 112.130 114.554 0.059 0.000 2.912 185 T HA 0.790 5.144 4.350 0.006 0.000 0.288 185 T C -0.062 174.572 174.700 -0.110 0.000 1.030 185 T CA -0.117 61.965 62.100 -0.030 0.000 1.020 185 T CB 2.368 71.256 68.868 0.033 0.000 1.056 185 T HN 0.320 nan 8.240 nan 0.000 0.480 186 S N 0.605 116.061 115.700 -0.406 0.000 2.541 186 S HA 0.742 5.216 4.470 0.006 0.000 0.271 186 S C -1.822 172.374 174.600 -0.673 0.000 1.133 186 S CA -1.013 56.955 58.200 -0.387 0.000 0.876 186 S CB 0.862 63.966 63.200 -0.159 0.000 1.105 186 S HN 0.781 nan 8.310 nan 0.000 0.470 187 Y N -0.195 120.157 120.300 0.086 0.000 2.605 187 Y HA 0.887 5.440 4.550 0.005 0.000 0.343 187 Y C 0.060 175.986 175.900 0.044 0.000 1.036 187 Y CA -0.930 57.222 58.100 0.087 0.000 1.065 187 Y CB 2.260 40.804 38.460 0.139 0.000 1.288 187 Y HN 1.191 nan 8.280 nan 0.000 0.481 188 A N 0.877 123.814 122.820 0.195 0.000 2.555 188 A HA 0.808 5.131 4.320 0.006 0.000 0.297 188 A C -1.958 175.682 177.584 0.093 0.000 1.060 188 A CA -0.700 51.402 52.037 0.108 0.000 0.710 188 A CB 0.860 19.896 19.000 0.060 0.000 1.282 188 A HN 0.666 nan 8.150 nan 0.000 0.399 189 V N -0.477 119.480 119.914 0.071 0.000 3.007 189 V HA 0.965 5.089 4.120 0.006 0.000 0.311 189 V C 0.045 176.171 176.094 0.053 0.000 1.120 189 V CA -0.723 61.614 62.300 0.063 0.000 0.980 189 V CB 1.736 33.596 31.823 0.061 0.000 1.033 189 V HN 1.177 nan 8.190 nan 0.000 0.429 190 S N 0.352 116.082 115.700 0.050 0.000 2.556 190 S HA 0.963 5.436 4.470 0.006 0.000 0.271 190 S C -0.843 173.788 174.600 0.051 0.000 1.135 190 S CA 0.285 58.512 58.200 0.045 0.000 0.858 190 S CB 1.886 65.101 63.200 0.025 0.000 1.114 190 S HN 1.971 nan 8.310 nan 0.000 0.468 191 A N 2.498 125.354 122.820 0.060 0.000 2.601 191 A HA 0.773 5.097 4.320 0.006 0.000 0.291 191 A C -1.455 176.174 177.584 0.075 0.000 1.075 191 A CA -0.733 51.343 52.037 0.065 0.000 0.671 191 A CB 1.371 20.417 19.000 0.077 0.000 1.277 191 A HN 0.713 nan 8.150 nan 0.000 0.417 192 R N 0.227 120.769 120.500 0.069 0.000 2.265 192 R HA 0.605 4.948 4.340 0.006 0.000 0.328 192 R C -1.649 174.714 176.300 0.105 0.000 0.969 192 R CA -0.320 55.825 56.100 0.074 0.000 0.832 192 R CB 1.539 31.863 30.300 0.040 0.000 1.139 192 R HN 0.788 nan 8.270 nan 0.000 0.457 193 V N 4.213 124.225 119.914 0.164 0.000 2.655 193 V HA 0.191 4.314 4.120 0.006 0.000 0.301 193 V C -1.446 174.773 176.094 0.208 0.000 1.082 193 V CA -0.813 61.586 62.300 0.164 0.000 0.899 193 V CB 2.029 33.945 31.823 0.156 0.000 1.014 193 V HN 0.715 nan 8.190 nan 0.000 0.429 194 D N 5.531 126.014 120.400 0.138 0.000 2.365 194 D HA 0.270 4.913 4.640 0.006 0.000 0.237 194 D C 1.165 177.514 176.300 0.081 0.000 1.190 194 D CA -0.056 54.020 54.000 0.127 0.000 0.867 194 D CB 1.484 42.324 40.800 0.068 0.000 1.050 194 D HN 0.628 nan 8.370 nan 0.000 0.491 195 L N 3.513 124.784 121.223 0.080 0.000 2.362 195 L HA -0.053 4.291 4.340 0.006 0.000 0.219 195 L C 2.288 179.149 176.870 -0.016 0.000 1.134 195 L CA 0.527 55.386 54.840 0.031 0.000 0.807 195 L CB -0.117 41.934 42.059 -0.014 0.000 0.927 195 L HN 0.248 nan 8.230 nan 0.000 0.447 196 R N 0.038 120.444 120.500 -0.156 0.000 2.189 196 R HA -0.110 4.233 4.340 0.006 0.000 0.223 196 R C 1.287 177.460 176.300 -0.211 0.000 1.092 196 R CA 0.961 56.775 56.100 -0.476 0.000 0.989 196 R CB -0.169 29.874 30.300 -0.428 0.000 0.876 196 R HN 0.380 nan 8.270 nan 0.000 0.457 197 D N -0.268 120.091 120.400 -0.069 0.000 2.333 197 D HA 0.000 4.643 4.640 0.006 0.000 0.208 197 D C 1.433 177.751 176.300 0.030 0.000 0.984 197 D CA 0.737 54.731 54.000 -0.009 0.000 0.873 197 D CB 0.435 41.245 40.800 0.017 0.000 0.935 197 D HN 0.137 nan 8.370 nan 0.000 0.521 198 I N -0.087 120.511 120.570 0.047 0.000 3.366 198 I HA 0.126 4.299 4.170 0.006 0.000 0.267 198 I C 1.006 177.184 176.117 0.103 0.000 1.149 198 I CA 0.308 61.654 61.300 0.077 0.000 1.436 198 I CB -0.432 37.618 38.000 0.083 0.000 1.379 198 I HN -0.172 nan 8.210 nan 0.000 0.460 199 L N 2.015 123.320 121.223 0.137 0.000 2.375 199 L HA 0.388 4.732 4.340 0.006 0.000 0.268 199 L C -2.237 174.783 176.870 0.250 0.000 1.058 199 L CA -1.626 53.312 54.840 0.163 0.000 0.803 199 L CB 0.730 42.876 42.059 0.144 0.000 1.212 199 L HN -0.074 nan 8.230 nan 0.000 0.451 200 P HA 0.126 nan 4.420 nan 0.000 0.276 200 P C 0.104 177.377 177.300 -0.045 0.000 1.261 200 P CA -0.444 62.734 63.100 0.131 0.000 0.800 200 P CB 0.633 32.388 31.700 0.091 0.000 1.066 201 E N -0.617 119.462 120.200 -0.202 0.000 2.130 201 E HA -0.190 4.163 4.350 0.006 0.000 0.196 201 E C -0.143 176.191 176.600 -0.443 0.000 0.998 201 E CA 1.637 57.683 56.400 -0.591 0.000 0.806 201 E CB -0.205 29.324 29.700 -0.285 0.000 0.738 201 E HN 0.481 nan 8.360 nan 0.000 0.459 202 Y N -0.718 119.525 120.300 -0.096 0.000 2.409 202 Y HA 0.352 4.905 4.550 0.004 0.000 0.343 202 Y C -0.040 175.832 175.900 -0.047 0.000 0.973 202 Y CA -1.065 57.001 58.100 -0.057 0.000 1.064 202 Y CB 1.874 40.278 38.460 -0.094 0.000 1.207 202 Y HN -0.251 nan 8.280 nan 0.000 0.452 203 V N 0.080 120.054 119.914 0.100 0.000 3.159 203 V HA 0.701 4.824 4.120 0.006 0.000 0.308 203 V C -0.936 175.138 176.094 -0.034 0.000 1.190 203 V CA -1.460 60.848 62.300 0.014 0.000 1.037 203 V CB 2.316 34.119 31.823 -0.033 0.000 1.060 203 V HN 0.750 nan 8.190 nan 0.000 0.437 204 R N 0.434 120.873 120.500 -0.102 0.000 2.668 204 R HA 0.884 5.227 4.340 0.006 0.000 0.279 204 R C -0.859 175.239 176.300 -0.337 0.000 0.976 204 R CA -0.519 55.484 56.100 -0.161 0.000 0.978 204 R CB 2.126 32.340 30.300 -0.142 0.000 1.133 204 R HN 1.006 nan 8.270 nan 0.000 0.484 205 V N -1.618 118.069 119.914 -0.377 0.000 3.001 205 V HA 1.024 5.147 4.120 0.006 0.000 0.314 205 V C -0.018 175.700 176.094 -0.626 0.000 1.099 205 V CA -0.355 61.572 62.300 -0.622 0.000 0.989 205 V CB 1.764 33.330 31.823 -0.429 0.000 1.040 205 V HN 0.961 nan 8.190 nan 0.000 0.434 206 G N 1.044 109.163 108.800 -1.135 0.000 2.323 206 G HA2 0.504 4.467 3.960 0.006 0.000 0.291 206 G HA3 0.504 4.467 3.960 0.006 0.000 0.291 206 G C -1.874 172.266 174.900 -1.267 0.000 1.278 206 G CA -0.699 43.761 45.100 -1.066 0.000 0.860 206 G HN 0.832 nan 8.290 nan 0.000 0.504 207 F N 0.071 119.790 119.950 -0.384 0.000 2.556 207 F HA 0.866 5.397 4.527 0.006 0.000 0.327 207 F C 0.670 176.488 175.800 0.031 0.000 1.059 207 F CA -0.694 57.205 58.000 -0.169 0.000 0.953 207 F CB 2.531 41.315 39.000 -0.360 0.000 1.227 207 F HN 0.565 nan 8.300 nan 0.000 0.478 208 S N 0.654 116.460 115.700 0.176 0.000 2.556 208 S HA 0.922 5.396 4.470 0.006 0.000 0.271 208 S C -1.465 173.067 174.600 -0.113 0.000 1.135 208 S CA -0.237 57.945 58.200 -0.031 0.000 0.858 208 S CB 1.578 64.623 63.200 -0.258 0.000 1.114 208 S HN 1.182 nan 8.310 nan 0.000 0.468 209 A N 1.630 124.349 122.820 -0.168 0.000 2.601 209 A HA 0.886 5.209 4.320 0.006 0.000 0.291 209 A C -0.617 176.826 177.584 -0.235 0.000 1.075 209 A CA -0.259 51.601 52.037 -0.294 0.000 0.671 209 A CB 1.169 19.896 19.000 -0.454 0.000 1.277 209 A HN 1.582 nan 8.150 nan 0.000 0.417 210 T N -1.586 112.800 114.554 -0.279 0.000 2.853 210 T HA 0.804 5.157 4.350 0.006 0.000 0.311 210 T C -0.068 174.644 174.700 0.020 0.000 1.307 210 T CA 0.070 62.116 62.100 -0.090 0.000 1.019 210 T CB 1.187 70.024 68.868 -0.051 0.000 1.264 210 T HN 1.813 nan 8.240 nan 0.000 0.497 211 T N -0.887 113.718 114.554 0.084 0.000 2.910 211 T HA 0.768 5.121 4.350 0.006 0.000 0.279 211 T C 0.937 175.653 174.700 0.027 0.000 0.989 211 T CA -0.457 61.714 62.100 0.118 0.000 0.968 211 T CB 0.714 69.637 68.868 0.093 0.000 1.135 211 T HN 1.129 nan 8.240 nan 0.000 0.562 212 G N -0.471 108.325 108.800 -0.006 0.000 2.594 212 G HA2 0.414 4.377 3.960 0.006 0.000 0.243 212 G HA3 0.414 4.377 3.960 0.006 0.000 0.243 212 G C 0.586 175.449 174.900 -0.063 0.000 1.229 212 G CA -0.810 44.239 45.100 -0.085 0.000 0.843 212 G HN 0.777 nan 8.290 nan 0.000 0.578 213 L N 0.483 121.655 121.223 -0.085 0.000 2.492 213 L HA 0.118 4.462 4.340 0.006 0.000 0.223 213 L C 0.551 177.397 176.870 -0.040 0.000 1.132 213 L CA 0.230 55.042 54.840 -0.046 0.000 0.850 213 L CB -0.293 41.745 42.059 -0.035 0.000 0.966 213 L HN 0.360 nan 8.230 nan 0.000 0.454 214 N N 0.241 118.908 118.700 -0.055 0.000 2.362 214 N HA 0.494 5.238 4.740 0.006 0.000 0.298 214 N C -0.111 175.381 175.510 -0.030 0.000 1.048 214 N CA -0.329 52.699 53.050 -0.037 0.000 0.858 214 N CB 1.465 39.929 38.487 -0.039 0.000 1.218 214 N HN 0.033 nan 8.380 nan 0.000 0.488 215 A N 1.143 123.951 122.820 -0.020 0.000 2.603 215 A HA 0.353 4.676 4.320 0.006 0.000 0.235 215 A C 1.557 179.130 177.584 -0.019 0.000 1.035 215 A CA 0.956 52.983 52.037 -0.017 0.000 0.755 215 A CB -0.857 18.135 19.000 -0.012 0.000 0.954 215 A HN 1.069 nan 8.150 nan 0.000 0.511 216 G N 0.497 109.285 108.800 -0.020 0.000 2.212 216 G HA2 -0.198 3.765 3.960 0.006 0.000 0.266 216 G HA3 -0.198 3.765 3.960 0.006 0.000 0.266 216 G C 0.287 175.172 174.900 -0.025 0.000 0.978 216 G CA 0.366 45.452 45.100 -0.023 0.000 0.632 216 G HN 1.650 nan 8.290 nan 0.000 0.537 217 V N 1.078 120.976 119.914 -0.025 0.000 2.184 217 V HA 0.682 4.805 4.120 0.006 0.000 0.262 217 V C 0.212 176.293 176.094 -0.021 0.000 1.209 217 V CA 0.021 62.308 62.300 -0.021 0.000 1.070 217 V CB 0.940 32.745 31.823 -0.029 0.000 1.244 217 V HN 0.507 nan 8.190 nan 0.000 0.477 218 V N 3.825 123.726 119.914 -0.022 0.000 3.188 218 V HA 0.821 4.944 4.120 0.006 0.000 0.305 218 V C -1.388 174.681 176.094 -0.041 0.000 1.232 218 V CA -0.344 61.947 62.300 -0.015 0.000 1.043 218 V CB 2.719 34.530 31.823 -0.019 0.000 1.068 218 V HN 0.919 nan 8.190 nan 0.000 0.439 219 E N 1.145 121.312 120.200 -0.056 0.000 2.401 219 E HA 0.477 4.831 4.350 0.006 0.000 0.280 219 E C -1.269 175.166 176.600 -0.275 0.000 1.039 219 E CA -0.577 55.751 56.400 -0.120 0.000 0.814 219 E CB 1.878 31.559 29.700 -0.031 0.000 1.275 219 E HN 0.765 nan 8.360 nan 0.000 0.448 220 T N -0.970 113.449 114.554 -0.226 0.000 2.816 220 T HA 0.360 4.713 4.350 0.006 0.000 0.282 220 T C -0.193 174.201 174.700 -0.510 0.000 0.993 220 T CA -0.472 61.482 62.100 -0.243 0.000 0.994 220 T CB 0.641 69.474 68.868 -0.058 0.000 1.025 220 T HN 0.540 nan 8.240 nan 0.000 0.529 221 H N 0.985 120.083 119.070 0.046 0.000 2.974 221 H HA 0.335 4.894 4.556 0.006 0.000 0.285 221 H C -1.386 173.931 175.328 -0.018 0.000 1.227 221 H CA -0.676 55.379 56.048 0.012 0.000 1.569 221 H CB 0.606 30.347 29.762 -0.035 0.000 1.648 221 H HN 0.615 nan 8.280 nan 0.000 0.521 222 D N 3.238 123.703 120.400 0.108 0.000 2.381 222 D HA 0.226 4.869 4.640 0.006 0.000 0.235 222 D C 0.505 176.837 176.300 0.053 0.000 1.068 222 D CA -0.514 53.521 54.000 0.059 0.000 0.832 222 D CB 1.813 42.660 40.800 0.078 0.000 1.101 222 D HN 0.314 nan 8.370 nan 0.000 0.515 223 I N 2.903 123.424 120.570 -0.083 0.000 2.352 223 I HA 0.053 4.226 4.170 0.006 0.000 0.290 223 I C 1.361 177.553 176.117 0.125 0.000 1.036 223 I CA -0.119 61.117 61.300 -0.107 0.000 1.336 223 I CB 1.360 39.053 38.000 -0.511 0.000 1.407 223 I HN 0.212 nan 8.210 nan 0.000 0.497 224 V N 4.813 124.861 119.914 0.222 0.000 3.263 224 V HA 0.070 4.193 4.120 0.006 0.000 0.248 224 V C 0.760 177.052 176.094 0.330 0.000 1.145 224 V CA 0.863 63.323 62.300 0.267 0.000 1.107 224 V CB 0.425 32.346 31.823 0.162 0.000 0.797 224 V HN 0.914 nan 8.190 nan 0.000 0.467 225 S N -2.051 113.875 115.700 0.376 0.000 2.588 225 S HA 0.628 5.101 4.470 0.006 0.000 0.269 225 S C -2.205 172.774 174.600 0.630 0.000 1.157 225 S CA -0.628 57.797 58.200 0.374 0.000 0.824 225 S CB 2.629 65.970 63.200 0.234 0.000 1.126 225 S HN 0.219 nan 8.310 nan 0.000 0.464 226 W N 1.767 123.330 121.300 0.439 0.000 4.020 226 W HA 0.625 5.288 4.660 0.005 0.000 0.293 226 W C -1.490 175.335 176.519 0.510 0.000 1.236 226 W CA -0.005 57.702 57.345 0.603 0.000 1.265 226 W CB 1.292 31.247 29.460 0.824 0.000 1.248 226 W HN 1.424 nan 8.180 nan 0.000 0.501 227 S N 4.749 120.705 115.700 0.426 0.000 2.564 227 S HA 0.906 5.379 4.470 0.006 0.000 0.274 227 S C -1.722 172.794 174.600 -0.139 0.000 1.124 227 S CA -0.631 57.558 58.200 -0.019 0.000 0.869 227 S CB 2.735 65.939 63.200 0.007 0.000 1.105 227 S HN 0.712 nan 8.310 nan 0.000 0.472 228 F N 0.640 120.153 119.950 -0.729 0.000 2.641 228 F HA 0.775 5.305 4.527 0.005 0.000 0.308 228 F C -1.326 174.101 175.800 -0.620 0.000 1.105 228 F CA -0.117 57.462 58.000 -0.700 0.000 0.964 228 F CB 1.778 40.056 39.000 -1.203 0.000 1.294 228 F HN 1.158 nan 8.300 nan 0.000 0.442 229 A N 3.881 126.168 122.820 -0.888 0.000 2.488 229 A HA 0.779 5.102 4.320 0.006 0.000 0.298 229 A C -1.939 175.336 177.584 -0.515 0.000 1.044 229 A CA -0.404 51.337 52.037 -0.494 0.000 0.693 229 A CB 1.406 20.240 19.000 -0.276 0.000 1.272 229 A HN 1.440 nan 8.150 nan 0.000 0.402 230 V N -1.072 118.752 119.914 -0.150 0.000 2.876 230 V HA 0.953 5.077 4.120 0.006 0.000 0.312 230 V C -0.189 175.933 176.094 0.046 0.000 1.085 230 V CA -0.660 61.649 62.300 0.014 0.000 0.945 230 V CB 1.696 33.642 31.823 0.205 0.000 1.017 230 V HN 1.083 nan 8.190 nan 0.000 0.428 231 S N 2.474 118.208 115.700 0.056 0.000 2.672 231 S HA 0.704 5.178 4.470 0.006 0.000 0.291 231 S C -1.321 173.301 174.600 0.036 0.000 1.145 231 S CA -0.420 57.801 58.200 0.035 0.000 1.013 231 S CB 1.307 64.511 63.200 0.006 0.000 1.017 231 S HN 1.043 nan 8.310 nan 0.000 0.487 232 L N 5.654 126.887 121.223 0.017 0.000 2.301 232 L HA 0.832 5.175 4.340 0.006 0.000 0.278 232 L C 0.147 177.005 176.870 -0.019 0.000 1.022 232 L CA -0.017 54.810 54.840 -0.022 0.000 0.854 232 L CB 0.425 42.419 42.059 -0.107 0.000 1.226 232 L HN 0.724 nan 8.230 nan 0.000 0.429 233 A N 0.000 122.814 122.820 -0.010 0.000 2.254 233 A HA 0.000 4.323 4.320 0.006 0.000 0.244 233 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 233 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 233 A HN 0.000 nan 8.150 nan 0.000 0.486