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 1add_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGEVGSPEV VREAVDILKT ERVGHGYHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.696 174.700 -0.007 0.000 1.109 4 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 4 T CB 0.000 68.869 68.868 0.002 0.000 0.612 5 P HA 0.610 nan 4.420 nan 0.000 0.240 5 P C 1.079 178.375 177.300 -0.006 0.000 1.854 5 P CA 0.376 63.457 63.100 -0.032 0.000 1.081 5 P CB 0.178 31.834 31.700 -0.074 0.000 1.646 6 A N 0.334 123.194 122.820 0.066 0.000 1.280 6 A HA -0.320 3.999 4.320 -0.001 0.000 0.322 6 A C 0.281 178.024 177.584 0.265 0.000 1.411 6 A CA 1.761 53.908 52.037 0.184 0.000 1.093 6 A CB -2.253 16.861 19.000 0.190 0.000 1.471 6 A HN 0.366 nan 8.150 nan 0.000 0.723 7 F N 1.262 121.107 119.950 -0.175 0.000 2.430 7 F HA 0.632 5.159 4.527 -0.001 0.000 0.362 7 F C 0.194 175.836 175.800 -0.264 0.000 1.103 7 F CA -1.323 56.533 58.000 -0.239 0.000 1.045 7 F CB 0.917 39.532 39.000 -0.641 0.000 1.276 7 F HN 0.271 nan 8.300 nan 0.000 0.444 8 N N 4.879 123.331 118.700 -0.414 0.000 2.597 8 N HA 0.091 4.830 4.740 -0.001 0.000 0.269 8 N C -0.856 174.342 175.510 -0.520 0.000 1.204 8 N CA 0.186 53.008 53.050 -0.380 0.000 0.947 8 N CB -0.091 38.270 38.487 -0.210 0.000 1.258 8 N HN 0.397 nan 8.380 nan 0.000 0.508 9 K N 0.213 120.076 120.400 -0.895 0.000 2.443 9 K HA 0.504 4.823 4.320 -0.001 0.000 0.251 9 K C -2.647 173.765 176.600 -0.313 0.000 0.972 9 K CA -1.954 53.961 56.287 -0.620 0.000 0.833 9 K CB 1.033 33.031 32.500 -0.837 0.000 1.317 9 K HN -0.077 nan 8.250 nan 0.000 0.441 10 P HA -0.086 nan 4.420 nan 0.000 0.270 10 P C -0.728 176.657 177.300 0.142 0.000 1.181 10 P CA 0.581 63.698 63.100 0.029 0.000 0.767 10 P CB 0.401 32.114 31.700 0.022 0.000 0.799 11 K N 0.021 120.488 120.400 0.111 0.000 2.469 11 K HA 0.692 5.012 4.320 -0.001 0.000 0.268 11 K C -1.454 175.241 176.600 0.158 0.000 1.027 11 K CA -1.032 55.365 56.287 0.184 0.000 0.893 11 K CB 2.113 34.684 32.500 0.119 0.000 1.460 11 K HN 0.040 nan 8.250 nan 0.000 0.449 12 V N 1.228 121.255 119.914 0.189 0.000 2.569 12 V HA 0.281 4.401 4.120 -0.001 0.000 0.301 12 V C -1.213 174.979 176.094 0.162 0.000 1.044 12 V CA -0.684 61.722 62.300 0.177 0.000 0.874 12 V CB 1.684 33.619 31.823 0.186 0.000 1.002 12 V HN 0.727 nan 8.190 nan 0.000 0.424 13 E N 3.509 123.780 120.200 0.117 0.000 2.129 13 E HA 0.445 4.795 4.350 -0.001 0.000 0.268 13 E C -0.389 176.262 176.600 0.085 0.000 0.900 13 E CA -0.635 55.838 56.400 0.123 0.000 0.755 13 E CB 1.509 31.287 29.700 0.129 0.000 1.117 13 E HN 0.503 nan 8.360 nan 0.000 0.410 14 L N 3.266 124.559 121.223 0.115 0.000 2.616 14 L HA 0.219 4.558 4.340 -0.001 0.000 0.229 14 L C -0.090 176.842 176.870 0.103 0.000 1.110 14 L CA 0.517 55.404 54.840 0.078 0.000 0.884 14 L CB -0.404 41.698 42.059 0.071 0.000 1.115 14 L HN 0.584 nan 8.230 nan 0.000 0.481 15 H N -0.819 118.281 119.070 0.050 0.000 3.092 15 H HA 0.606 5.161 4.556 -0.001 0.000 0.308 15 H C -1.528 173.855 175.328 0.091 0.000 1.047 15 H CA -0.290 55.771 56.048 0.021 0.000 1.466 15 H CB 1.380 31.131 29.762 -0.020 0.000 1.597 15 H HN -0.229 nan 8.280 nan 0.000 0.512 16 V N 6.227 126.229 119.914 0.147 0.000 2.775 16 V HA 0.187 4.307 4.120 -0.001 0.000 0.295 16 V C -1.308 174.855 176.094 0.115 0.000 1.226 16 V CA -0.556 61.912 62.300 0.280 0.000 0.934 16 V CB 1.472 33.513 31.823 0.363 0.000 1.056 16 V HN 0.852 nan 8.190 nan 0.000 0.436 17 H N 6.034 125.285 119.070 0.303 0.000 2.610 17 H HA 0.222 4.777 4.556 -0.001 0.000 0.336 17 H C 0.672 176.094 175.328 0.156 0.000 1.087 17 H CA 0.119 56.318 56.048 0.251 0.000 1.405 17 H CB 2.285 32.275 29.762 0.380 0.000 1.460 17 H HN 0.672 nan 8.280 nan 0.000 0.538 18 L N 3.246 124.550 121.223 0.135 0.000 2.005 18 L HA -0.160 4.179 4.340 -0.001 0.000 0.207 18 L C 1.767 178.721 176.870 0.140 0.000 1.072 18 L CA 1.842 56.649 54.840 -0.055 0.000 0.744 18 L CB -0.612 41.331 42.059 -0.193 0.000 0.895 18 L HN 0.694 nan 8.230 nan 0.000 0.433 19 D N -1.095 119.463 120.400 0.265 0.000 2.378 19 D HA -0.051 4.588 4.640 -0.001 0.000 0.222 19 D C 1.635 178.201 176.300 0.443 0.000 0.980 19 D CA 0.975 55.189 54.000 0.357 0.000 0.907 19 D CB -0.797 40.256 40.800 0.421 0.000 0.899 19 D HN 0.431 nan 8.370 nan 0.000 0.527 20 G N -0.854 108.190 108.800 0.407 0.000 3.605 20 G HA2 0.449 4.408 3.960 -0.001 0.000 0.277 20 G HA3 0.449 4.408 3.960 -0.001 0.000 0.277 20 G C 0.375 175.391 174.900 0.194 0.000 1.093 20 G CA -0.055 45.211 45.100 0.277 0.000 0.821 20 G HN 0.421 nan 8.290 nan 0.000 0.532 21 A N 0.707 123.640 122.820 0.189 0.000 3.165 21 A HA 0.562 4.882 4.320 -0.001 0.000 0.212 21 A C -0.205 177.469 177.584 0.151 0.000 0.935 21 A CA -0.385 51.772 52.037 0.200 0.000 1.100 21 A CB -0.124 19.107 19.000 0.385 0.000 1.260 21 A HN 0.202 nan 8.150 nan 0.000 0.532 22 I N 0.336 120.921 120.570 0.025 0.000 2.437 22 I HA 0.289 4.458 4.170 -0.001 0.000 0.298 22 I C 0.319 176.404 176.117 -0.053 0.000 0.984 22 I CA -0.840 60.457 61.300 -0.006 0.000 1.214 22 I CB 1.759 39.719 38.000 -0.067 0.000 1.365 22 I HN 0.204 nan 8.210 nan 0.000 0.469 23 K N 6.096 126.492 120.400 -0.008 0.000 2.382 23 K HA 0.116 4.436 4.320 -0.001 0.000 0.275 23 K C -1.592 174.978 176.600 -0.049 0.000 1.009 23 K CA -1.074 55.200 56.287 -0.021 0.000 0.970 23 K CB 0.664 33.167 32.500 0.005 0.000 0.934 23 K HN 0.308 nan 8.250 nan 0.000 0.479 24 P HA -0.095 nan 4.420 nan 0.000 0.226 24 P C 0.008 177.292 177.300 -0.027 0.000 1.153 24 P CA 1.070 64.127 63.100 -0.071 0.000 0.777 24 P CB 0.368 32.031 31.700 -0.062 0.000 0.794 25 E N -0.981 119.214 120.200 -0.009 0.000 2.112 25 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 25 E C 1.864 178.490 176.600 0.043 0.000 0.979 25 E CA 1.258 57.662 56.400 0.008 0.000 0.814 25 E CB -1.220 28.475 29.700 -0.009 0.000 0.762 25 E HN 0.151 nan 8.360 nan 0.000 0.460 26 T N 0.629 115.222 114.554 0.064 0.000 2.951 26 T HA 0.014 4.364 4.350 -0.001 0.000 0.268 26 T C 1.810 176.680 174.700 0.283 0.000 1.073 26 T CA 0.608 62.806 62.100 0.163 0.000 1.134 26 T CB -0.114 68.882 68.868 0.213 0.000 0.884 26 T HN 0.074 nan 8.240 nan 0.000 0.479 27 I N 0.326 120.987 120.570 0.153 0.000 2.353 27 I HA -0.073 4.096 4.170 -0.001 0.000 0.248 27 I C 2.064 178.260 176.117 0.131 0.000 1.119 27 I CA 0.689 62.073 61.300 0.142 0.000 1.417 27 I CB -0.167 37.831 38.000 -0.004 0.000 1.078 27 I HN 0.153 nan 8.210 nan 0.000 0.421 28 L N -0.304 120.968 121.223 0.080 0.000 2.109 28 L HA -0.210 4.130 4.340 -0.001 0.000 0.207 28 L C 2.389 179.282 176.870 0.039 0.000 1.086 28 L CA 1.751 56.620 54.840 0.048 0.000 0.760 28 L CB -0.909 41.167 42.059 0.028 0.000 0.910 28 L HN 0.248 nan 8.230 nan 0.000 0.437 29 Y N -1.099 119.146 120.300 -0.092 0.000 2.145 29 Y HA -0.263 4.285 4.550 -0.003 0.000 0.286 29 Y C 2.091 177.833 175.900 -0.263 0.000 1.145 29 Y CA 1.681 59.645 58.100 -0.228 0.000 1.148 29 Y CB -0.373 37.855 38.460 -0.386 0.000 0.981 29 Y HN 0.139 nan 8.280 nan 0.000 0.507 30 F N -0.141 119.797 119.950 -0.021 0.000 2.558 30 F HA 0.126 4.654 4.527 0.001 0.000 0.298 30 F C 2.470 178.206 175.800 -0.106 0.000 1.119 30 F CA 0.986 58.917 58.000 -0.115 0.000 1.451 30 F CB -0.829 38.190 39.000 0.032 0.000 1.091 30 F HN 0.123 nan 8.300 nan 0.000 0.563 31 G N -0.332 108.513 108.800 0.076 0.000 2.403 31 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.216 31 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.216 31 G C 1.839 176.725 174.900 -0.023 0.000 1.154 31 G CA 0.370 45.493 45.100 0.039 0.000 0.784 31 G HN 0.198 nan 8.290 nan 0.000 0.538 32 K N 0.133 120.482 120.400 -0.085 0.000 2.076 32 K HA 0.031 4.351 4.320 -0.001 0.000 0.204 32 K C 2.383 178.896 176.600 -0.146 0.000 1.051 32 K CA 0.857 57.081 56.287 -0.107 0.000 0.949 32 K CB -0.080 32.346 32.500 -0.123 0.000 0.726 32 K HN 0.246 nan 8.250 nan 0.000 0.443 33 K N 1.084 121.326 120.400 -0.263 0.000 2.283 33 K HA -0.101 4.219 4.320 -0.001 0.000 0.202 33 K C 1.636 178.178 176.600 -0.096 0.000 1.048 33 K CA 1.135 57.269 56.287 -0.254 0.000 0.948 33 K CB 0.210 32.419 32.500 -0.486 0.000 0.742 33 K HN 0.003 nan 8.250 nan 0.000 0.458 34 R N -1.332 119.144 120.500 -0.039 0.000 2.308 34 R HA 0.117 4.456 4.340 -0.001 0.000 0.202 34 R C 0.667 176.967 176.300 0.000 0.000 0.898 34 R CA 0.536 56.639 56.100 0.006 0.000 1.046 34 R CB 0.858 31.184 30.300 0.044 0.000 1.026 34 R HN 0.361 nan 8.270 nan 0.000 0.512 35 G N 1.929 110.721 108.800 -0.013 0.000 2.176 35 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.252 35 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.252 35 G C 0.074 174.979 174.900 0.008 0.000 1.024 35 G CA -0.035 45.061 45.100 -0.006 0.000 0.755 35 G HN 0.212 nan 8.290 nan 0.000 0.507 36 I N 0.971 121.550 120.570 0.015 0.000 2.385 36 I HA 0.571 4.740 4.170 -0.001 0.000 0.294 36 I C 1.045 177.177 176.117 0.026 0.000 0.988 36 I CA -0.488 60.828 61.300 0.025 0.000 1.265 36 I CB 1.611 39.630 38.000 0.031 0.000 1.388 36 I HN 0.292 nan 8.210 nan 0.000 0.480 37 A N 6.797 129.636 122.820 0.031 0.000 2.351 37 A HA 0.628 4.947 4.320 -0.001 0.000 0.257 37 A C -0.665 176.945 177.584 0.043 0.000 1.087 37 A CA -0.122 51.935 52.037 0.032 0.000 0.798 37 A CB 0.483 19.505 19.000 0.036 0.000 1.033 37 A HN 0.499 nan 8.150 nan 0.000 0.488 38 L N 1.335 122.576 121.223 0.031 0.000 2.371 38 L HA 0.515 4.854 4.340 -0.001 0.000 0.262 38 L C -1.531 175.336 176.870 -0.005 0.000 1.006 38 L CA -1.480 53.377 54.840 0.028 0.000 0.818 38 L CB 1.441 43.510 42.059 0.016 0.000 1.354 38 L HN 0.561 nan 8.230 nan 0.000 0.415 39 P HA 0.092 nan 4.420 nan 0.000 0.231 39 P C -0.310 176.927 177.300 -0.105 0.000 1.158 39 P CA 0.645 63.670 63.100 -0.125 0.000 0.763 39 P CB 0.561 32.023 31.700 -0.395 0.000 0.805 40 A N -0.533 122.239 122.820 -0.080 0.000 2.610 40 A HA 0.513 4.832 4.320 -0.001 0.000 0.291 40 A C -1.111 176.451 177.584 -0.036 0.000 1.086 40 A CA -0.634 51.368 52.037 -0.059 0.000 0.677 40 A CB 0.628 19.584 19.000 -0.074 0.000 1.278 40 A HN -0.117 nan 8.150 nan 0.000 0.414 41 D N 0.977 121.361 120.400 -0.027 0.000 2.696 41 D HA 0.264 4.904 4.640 -0.001 0.000 0.269 41 D C -0.798 175.493 176.300 -0.016 0.000 1.319 41 D CA 0.384 54.373 54.000 -0.018 0.000 0.826 41 D CB 1.020 41.812 40.800 -0.014 0.000 1.086 41 D HN 0.351 nan 8.370 nan 0.000 0.481 42 T N 0.183 114.724 114.554 -0.020 0.000 3.071 42 T HA 0.077 4.426 4.350 -0.001 0.000 0.311 42 T C 1.486 176.174 174.700 -0.021 0.000 1.042 42 T CA -0.602 61.488 62.100 -0.017 0.000 1.028 42 T CB 2.668 71.527 68.868 -0.016 0.000 1.068 42 T HN -0.091 nan 8.240 nan 0.000 0.451 43 V N 1.784 121.688 119.914 -0.017 0.000 2.546 43 V HA -0.161 3.958 4.120 -0.001 0.000 0.254 43 V C 1.776 177.857 176.094 -0.022 0.000 1.076 43 V CA 1.758 64.046 62.300 -0.021 0.000 1.087 43 V CB -0.522 31.291 31.823 -0.017 0.000 0.674 43 V HN 0.810 nan 8.190 nan 0.000 0.470 44 E N 0.127 120.317 120.200 -0.016 0.000 2.028 44 E HA -0.116 4.234 4.350 -0.001 0.000 0.190 44 E C 2.388 178.978 176.600 -0.017 0.000 0.984 44 E CA 1.341 57.734 56.400 -0.012 0.000 0.800 44 E CB -0.265 29.431 29.700 -0.007 0.000 0.758 44 E HN 0.549 nan 8.360 nan 0.000 0.448 45 E N 0.171 120.357 120.200 -0.023 0.000 2.274 45 E HA -0.110 4.239 4.350 -0.001 0.000 0.194 45 E C 1.814 178.382 176.600 -0.054 0.000 0.996 45 E CA 0.292 56.673 56.400 -0.032 0.000 0.840 45 E CB 0.041 29.722 29.700 -0.032 0.000 0.772 45 E HN 0.130 nan 8.360 nan 0.000 0.491 46 L N 0.433 121.623 121.223 -0.055 0.000 2.313 46 L HA 0.018 4.358 4.340 -0.001 0.000 0.214 46 L C 2.170 178.997 176.870 -0.073 0.000 1.119 46 L CA 1.261 56.054 54.840 -0.078 0.000 0.809 46 L CB -0.138 41.883 42.059 -0.063 0.000 0.933 46 L HN -0.099 nan 8.230 nan 0.000 0.449 47 R N -1.004 119.469 120.500 -0.045 0.000 2.153 47 R HA -0.028 4.312 4.340 -0.001 0.000 0.218 47 R C 1.511 177.808 176.300 -0.005 0.000 1.072 47 R CA 0.906 56.991 56.100 -0.025 0.000 0.990 47 R CB 0.085 30.380 30.300 -0.008 0.000 0.889 47 R HN 0.401 nan 8.270 nan 0.000 0.452 48 N N 0.117 118.810 118.700 -0.011 0.000 2.376 48 N HA -0.034 4.706 4.740 -0.001 0.000 0.177 48 N C 1.421 176.925 175.510 -0.010 0.000 1.024 48 N CA 0.691 53.745 53.050 0.007 0.000 0.893 48 N CB 0.155 38.646 38.487 0.006 0.000 0.980 48 N HN 0.163 nan 8.380 nan 0.000 0.439 49 I N 0.413 120.939 120.570 -0.075 0.000 2.333 49 I HA -0.026 4.144 4.170 -0.001 0.000 0.246 49 I C 1.841 177.895 176.117 -0.105 0.000 1.106 49 I CA 0.834 62.042 61.300 -0.154 0.000 1.411 49 I CB -0.641 37.147 38.000 -0.353 0.000 1.082 49 I HN 0.048 nan 8.210 nan 0.000 0.420 50 I N 0.489 121.017 120.570 -0.070 0.000 2.716 50 I HA -0.002 4.167 4.170 -0.001 0.000 0.259 50 I C 1.531 177.700 176.117 0.087 0.000 1.172 50 I CA 0.206 61.552 61.300 0.076 0.000 1.478 50 I CB -0.391 37.634 38.000 0.043 0.000 1.104 50 I HN 0.118 nan 8.210 nan 0.000 0.439 51 G N 0.738 109.577 108.800 0.066 0.000 2.504 51 G HA2 0.627 4.586 3.960 -0.001 0.000 0.288 51 G HA3 0.627 4.586 3.960 -0.001 0.000 0.288 51 G C -0.553 174.437 174.900 0.150 0.000 1.182 51 G CA -0.506 44.658 45.100 0.108 0.000 0.894 51 G HN -0.060 nan 8.290 nan 0.000 0.521 52 M N 0.158 119.885 119.600 0.211 0.000 2.456 52 M HA 0.322 4.801 4.480 -0.001 0.000 0.324 52 M C -0.217 176.207 176.300 0.206 0.000 1.124 52 M CA -0.727 54.693 55.300 0.200 0.000 0.959 52 M CB 2.666 35.408 32.600 0.238 0.000 1.692 52 M HN 0.395 nan 8.290 nan 0.000 0.444 53 D N 1.048 121.541 120.400 0.154 0.000 2.431 53 D HA 0.193 4.832 4.640 -0.001 0.000 0.227 53 D C -0.149 176.235 176.300 0.139 0.000 1.030 53 D CA 1.068 55.175 54.000 0.179 0.000 0.897 53 D CB 0.732 41.618 40.800 0.144 0.000 1.058 53 D HN 0.408 nan 8.370 nan 0.000 0.500 54 K N 0.013 120.440 120.400 0.045 0.000 2.346 54 K HA 0.512 4.831 4.320 -0.001 0.000 0.238 54 K C -2.598 173.883 176.600 -0.198 0.000 1.039 54 K CA -1.738 54.517 56.287 -0.052 0.000 0.861 54 K CB 1.540 34.031 32.500 -0.014 0.000 1.278 54 K HN -0.230 nan 8.250 nan 0.000 0.460 55 P HA 0.126 nan 4.420 nan 0.000 0.275 55 P C -0.503 176.693 177.300 -0.173 0.000 1.227 55 P CA -0.077 62.788 63.100 -0.391 0.000 0.781 55 P CB 0.681 32.069 31.700 -0.521 0.000 0.906 56 L N 1.142 122.302 121.223 -0.105 0.000 2.695 56 L HA 0.517 4.856 4.340 -0.001 0.000 0.211 56 L C 0.766 177.630 176.870 -0.010 0.000 1.839 56 L CA -0.248 54.586 54.840 -0.010 0.000 2.948 56 L CB 0.590 42.703 42.059 0.089 0.000 2.799 56 L HN 0.507 nan 8.230 nan 0.000 0.731 57 S N -1.690 114.046 115.700 0.060 0.000 2.625 57 S HA 0.239 4.708 4.470 -0.001 0.000 0.271 57 S C 0.065 174.750 174.600 0.143 0.000 1.161 57 S CA -0.604 57.628 58.200 0.052 0.000 0.820 57 S CB 1.438 64.657 63.200 0.032 0.000 1.137 57 S HN 0.315 nan 8.310 nan 0.000 0.470 58 L N 1.288 122.584 121.223 0.122 0.000 2.046 58 L HA 0.224 4.564 4.340 -0.001 0.000 0.208 58 L C -1.218 175.811 176.870 0.266 0.000 1.077 58 L CA 1.884 56.858 54.840 0.224 0.000 0.747 58 L CB -1.441 40.698 42.059 0.134 0.000 0.896 58 L HN 0.615 nan 8.230 nan 0.000 0.432 59 P HA 0.037 nan 4.420 nan 0.000 0.231 59 P C 1.461 178.798 177.300 0.063 0.000 1.168 59 P CA 1.284 64.430 63.100 0.077 0.000 0.779 59 P CB -0.151 31.568 31.700 0.032 0.000 0.844 60 G N -0.333 108.526 108.800 0.099 0.000 2.426 60 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.214 60 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.214 60 G C 1.226 176.188 174.900 0.104 0.000 1.156 60 G CA 0.129 45.275 45.100 0.076 0.000 0.802 60 G HN 0.275 nan 8.290 nan 0.000 0.534 61 F N 1.069 121.066 119.950 0.078 0.000 2.325 61 F HA 0.265 4.791 4.527 -0.001 0.000 0.299 61 F C 1.956 177.859 175.800 0.172 0.000 1.090 61 F CA 0.559 58.633 58.000 0.124 0.000 1.392 61 F CB -0.135 38.974 39.000 0.181 0.000 1.053 61 F HN 0.007 nan 8.300 nan 0.000 0.521 62 L N 0.436 121.404 121.223 -0.426 0.000 2.376 62 L HA -0.039 4.301 4.340 -0.001 0.000 0.219 62 L C 2.703 179.492 176.870 -0.135 0.000 1.133 62 L CA 0.805 55.394 54.840 -0.419 0.000 0.816 62 L CB -0.853 41.123 42.059 -0.139 0.000 0.933 62 L HN 0.360 nan 8.230 nan 0.000 0.449 63 A N -0.425 122.315 122.820 -0.133 0.000 2.014 63 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 63 A C 2.174 179.631 177.584 -0.212 0.000 1.163 63 A CA 0.808 52.767 52.037 -0.132 0.000 0.652 63 A CB -0.141 18.772 19.000 -0.144 0.000 0.808 63 A HN 0.157 nan 8.150 nan 0.000 0.449 64 K N -0.263 120.018 120.400 -0.200 0.000 2.089 64 K HA -0.217 4.102 4.320 -0.001 0.000 0.210 64 K C 1.462 177.932 176.600 -0.218 0.000 1.048 64 K CA 1.520 57.704 56.287 -0.171 0.000 0.926 64 K CB -0.837 31.590 32.500 -0.122 0.000 0.714 64 K HN 0.564 nan 8.250 nan 0.000 0.448 65 F N 2.256 121.992 119.950 -0.356 0.000 2.154 65 F HA -0.210 4.317 4.527 0.000 0.000 0.301 65 F C 1.933 177.355 175.800 -0.631 0.000 1.087 65 F CA 1.488 59.128 58.000 -0.601 0.000 1.274 65 F CB -0.608 38.180 39.000 -0.353 0.000 1.009 65 F HN 0.084 nan 8.300 nan 0.000 0.485 66 D N -0.999 119.311 120.400 -0.150 0.000 2.239 66 D HA -0.226 4.414 4.640 -0.001 0.000 0.202 66 D C 1.962 178.149 176.300 -0.189 0.000 0.993 66 D CA 1.293 55.225 54.000 -0.114 0.000 0.874 66 D CB -0.585 40.158 40.800 -0.094 0.000 0.922 66 D HN 0.296 nan 8.370 nan 0.000 0.464 67 Y N -0.562 119.646 120.300 -0.154 0.000 2.200 67 Y HA -0.158 4.393 4.550 0.001 0.000 0.290 67 Y C 2.028 177.894 175.900 -0.057 0.000 1.137 67 Y CA 0.866 58.929 58.100 -0.061 0.000 1.163 67 Y CB -0.629 37.854 38.460 0.039 0.000 0.988 67 Y HN 0.261 nan 8.280 nan 0.000 0.518 68 Y N -5.802 114.498 120.300 -0.001 0.000 2.452 68 Y HA 0.270 4.820 4.550 -0.000 0.000 0.262 68 Y C 1.708 177.468 175.900 -0.233 0.000 1.089 68 Y CA -0.245 57.804 58.100 -0.084 0.000 1.262 68 Y CB -0.788 37.641 38.460 -0.051 0.000 1.236 68 Y HN -0.215 nan 8.280 nan 0.000 0.512 69 M N 1.727 120.844 119.600 -0.804 0.000 2.255 69 M HA -0.082 4.397 4.480 -0.001 0.000 0.259 69 M C -1.034 174.786 176.300 -0.800 0.000 1.071 69 M CA 1.233 56.016 55.300 -0.862 0.000 1.074 69 M CB -2.017 29.609 32.600 -1.624 0.000 1.384 69 M HN 0.235 nan 8.290 nan 0.000 0.415 70 P HA 0.008 nan 4.420 nan 0.000 0.229 70 P C 1.887 179.105 177.300 -0.138 0.000 1.160 70 P CA 0.683 63.581 63.100 -0.337 0.000 0.777 70 P CB -0.031 31.586 31.700 -0.138 0.000 0.814 71 V N -0.380 119.480 119.914 -0.090 0.000 2.591 71 V HA -0.133 3.986 4.120 -0.001 0.000 0.249 71 V C 2.149 178.215 176.094 -0.046 0.000 1.053 71 V CA 1.363 63.664 62.300 0.002 0.000 1.068 71 V CB -0.658 31.214 31.823 0.082 0.000 0.689 71 V HN 0.008 nan 8.190 nan 0.000 0.462 72 I N 0.128 120.640 120.570 -0.098 0.000 2.499 72 I HA 0.193 4.362 4.170 -0.001 0.000 0.243 72 I C 1.600 177.630 176.117 -0.146 0.000 1.085 72 I CA 0.609 61.808 61.300 -0.168 0.000 1.422 72 I CB -1.519 36.424 38.000 -0.096 0.000 1.165 72 I HN 0.213 nan 8.210 nan 0.000 0.440 73 A N 0.880 123.636 122.820 -0.107 0.000 2.598 73 A HA 0.276 4.595 4.320 -0.001 0.000 0.239 73 A C 1.538 179.120 177.584 -0.003 0.000 1.032 73 A CA 1.213 53.242 52.037 -0.014 0.000 0.760 73 A CB -0.702 18.354 19.000 0.094 0.000 0.946 73 A HN 0.956 nan 8.150 nan 0.000 0.512 74 G N 0.441 109.243 108.800 0.002 0.000 2.268 74 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.240 74 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.240 74 G C 0.587 175.469 174.900 -0.030 0.000 1.010 74 G CA 0.360 45.460 45.100 0.001 0.000 0.618 74 G HN 1.643 nan 8.290 nan 0.000 0.516 75 C N 2.377 121.630 119.300 -0.078 0.000 2.265 75 C HA 0.664 5.124 4.460 -0.001 0.000 0.332 75 C C 2.113 177.038 174.990 -0.109 0.000 1.248 75 C CA -0.189 58.772 59.018 -0.095 0.000 1.727 75 C CB -0.078 27.567 27.740 -0.159 0.000 2.348 75 C HN 0.543 nan 8.230 nan 0.000 0.519 76 R N 1.835 122.302 120.500 -0.054 0.000 2.073 76 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 76 R C 2.131 178.404 176.300 -0.045 0.000 1.134 76 R CA 1.867 57.940 56.100 -0.045 0.000 0.952 76 R CB -0.167 30.124 30.300 -0.014 0.000 0.850 76 R HN 0.850 nan 8.270 nan 0.000 0.433 77 E N 0.737 120.932 120.200 -0.009 0.000 2.118 77 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 77 E C 1.839 178.435 176.600 -0.007 0.000 0.992 77 E CA 1.363 57.796 56.400 0.055 0.000 0.804 77 E CB -0.010 29.798 29.700 0.181 0.000 0.741 77 E HN 0.405 nan 8.360 nan 0.000 0.458 78 A N 0.843 123.472 122.820 -0.319 0.000 1.898 78 A HA -0.064 4.256 4.320 -0.001 0.000 0.214 78 A C 2.141 179.547 177.584 -0.296 0.000 1.183 78 A CA 0.923 52.524 52.037 -0.727 0.000 0.622 78 A CB -0.460 17.710 19.000 -1.384 0.000 0.824 78 A HN 0.295 nan 8.150 nan 0.000 0.444 79 I N -0.310 120.131 120.570 -0.216 0.000 2.208 79 I HA -0.278 3.891 4.170 -0.001 0.000 0.245 79 I C 2.514 178.576 176.117 -0.091 0.000 1.097 79 I CA 1.983 63.196 61.300 -0.146 0.000 1.363 79 I CB -0.178 37.743 38.000 -0.132 0.000 1.051 79 I HN 0.357 nan 8.210 nan 0.000 0.413 80 K N 0.852 121.222 120.400 -0.050 0.000 2.148 80 K HA -0.157 4.162 4.320 -0.001 0.000 0.204 80 K C 2.395 179.035 176.600 0.067 0.000 1.050 80 K CA 0.970 57.259 56.287 0.003 0.000 0.942 80 K CB -0.003 32.504 32.500 0.011 0.000 0.724 80 K HN 0.103 nan 8.250 nan 0.000 0.446 81 R N 1.132 121.677 120.500 0.075 0.000 2.062 81 R HA -0.080 4.260 4.340 -0.001 0.000 0.229 81 R C 2.385 178.799 176.300 0.189 0.000 1.128 81 R CA 1.615 57.807 56.100 0.153 0.000 0.960 81 R CB -0.379 30.056 30.300 0.224 0.000 0.855 81 R HN 0.431 nan 8.270 nan 0.000 0.432 82 I N -1.589 119.050 120.570 0.114 0.000 2.361 82 I HA -0.092 4.078 4.170 -0.001 0.000 0.251 82 I C 2.260 178.451 176.117 0.124 0.000 1.133 82 I CA 1.682 63.049 61.300 0.112 0.000 1.413 82 I CB -0.458 37.569 38.000 0.045 0.000 1.073 82 I HN -0.013 nan 8.210 nan 0.000 0.424 83 A N 0.687 123.554 122.820 0.078 0.000 1.898 83 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 83 A C 2.375 180.076 177.584 0.195 0.000 1.181 83 A CA 1.628 53.712 52.037 0.078 0.000 0.620 83 A CB -1.231 17.770 19.000 0.001 0.000 0.819 83 A HN 0.679 nan 8.150 nan 0.000 0.442 84 Y N 1.089 121.450 120.300 0.102 0.000 2.181 84 Y HA -0.180 4.369 4.550 -0.002 0.000 0.288 84 Y C 2.131 178.116 175.900 0.142 0.000 1.146 84 Y CA 2.219 60.403 58.100 0.140 0.000 1.164 84 Y CB -0.166 38.368 38.460 0.123 0.000 0.982 84 Y HN 0.477 nan 8.280 nan 0.000 0.515 85 E N -0.749 119.581 120.200 0.217 0.000 2.208 85 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 85 E C 1.872 178.433 176.600 -0.066 0.000 0.988 85 E CA 0.890 57.320 56.400 0.051 0.000 0.828 85 E CB -0.439 29.344 29.700 0.138 0.000 0.763 85 E HN 0.556 nan 8.360 nan 0.000 0.478 86 F N 1.757 121.659 119.950 -0.080 0.000 2.126 86 F HA -0.243 4.283 4.527 -0.001 0.000 0.299 86 F C 2.021 177.728 175.800 -0.156 0.000 1.096 86 F CA 1.159 59.108 58.000 -0.085 0.000 1.255 86 F CB -0.198 38.781 39.000 -0.035 0.000 0.997 86 F HN -0.218 nan 8.300 nan 0.000 0.479 87 V N 0.813 120.619 119.914 -0.179 0.000 2.295 87 V HA -0.342 3.777 4.120 -0.001 0.000 0.246 87 V C 2.417 178.146 176.094 -0.607 0.000 1.049 87 V CA 2.284 64.398 62.300 -0.309 0.000 1.024 87 V CB -0.989 30.770 31.823 -0.107 0.000 0.648 87 V HN 0.503 nan 8.190 nan 0.000 0.447 88 E N -0.282 119.392 120.200 -0.876 0.000 2.097 88 E HA -0.299 4.050 4.350 -0.001 0.000 0.196 88 E C 2.220 178.369 176.600 -0.753 0.000 1.000 88 E CA 2.002 57.581 56.400 -1.369 0.000 0.804 88 E CB -0.218 28.802 29.700 -1.134 0.000 0.740 88 E HN 0.551 nan 8.360 nan 0.000 0.454 89 M N 0.018 119.295 119.600 -0.539 0.000 2.067 89 M HA -0.155 4.325 4.480 -0.001 0.000 0.260 89 M C 2.122 178.178 176.300 -0.407 0.000 1.069 89 M CA 1.400 56.459 55.300 -0.402 0.000 1.117 89 M CB 0.043 32.431 32.600 -0.354 0.000 1.334 89 M HN -0.073 nan 8.290 nan 0.000 0.407 90 K N 0.082 120.158 120.400 -0.541 0.000 2.283 90 K HA 0.007 4.326 4.320 -0.001 0.000 0.202 90 K C 1.866 178.295 176.600 -0.284 0.000 1.048 90 K CA 1.313 57.352 56.287 -0.415 0.000 0.948 90 K CB -0.682 31.507 32.500 -0.518 0.000 0.742 90 K HN 0.359 nan 8.250 nan 0.000 0.458 91 A N 1.404 124.025 122.820 -0.333 0.000 1.929 91 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 91 A C 2.002 179.481 177.584 -0.174 0.000 1.176 91 A CA 1.314 53.217 52.037 -0.224 0.000 0.628 91 A CB -0.182 18.649 19.000 -0.282 0.000 0.816 91 A HN 0.242 nan 8.150 nan 0.000 0.444 92 K N -0.260 120.010 120.400 -0.217 0.000 2.155 92 K HA -0.065 4.255 4.320 -0.001 0.000 0.203 92 K C 1.589 178.113 176.600 -0.126 0.000 1.052 92 K CA 1.157 57.355 56.287 -0.148 0.000 0.948 92 K CB -0.098 32.310 32.500 -0.153 0.000 0.728 92 K HN 0.550 nan 8.250 nan 0.000 0.448 93 E N -0.034 120.081 120.200 -0.142 0.000 2.472 93 E HA -0.089 4.261 4.350 -0.001 0.000 0.200 93 E C 0.652 177.186 176.600 -0.111 0.000 1.046 93 E CA 0.469 56.800 56.400 -0.115 0.000 0.871 93 E CB 0.038 29.674 29.700 -0.108 0.000 0.806 93 E HN 0.519 nan 8.360 nan 0.000 0.533 94 G N 0.730 109.467 108.800 -0.105 0.000 2.132 94 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.228 94 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.228 94 G C 0.098 174.959 174.900 -0.066 0.000 1.000 94 G CA 0.072 45.116 45.100 -0.094 0.000 0.693 94 G HN 0.141 nan 8.290 nan 0.000 0.515 95 V N 1.316 121.194 119.914 -0.059 0.000 2.432 95 V HA 0.411 4.531 4.120 -0.001 0.000 0.275 95 V C 1.738 177.831 176.094 -0.002 0.000 1.043 95 V CA 0.149 62.437 62.300 -0.020 0.000 0.925 95 V CB 1.468 33.266 31.823 -0.041 0.000 0.985 95 V HN 0.809 nan 8.190 nan 0.000 0.466 96 V N 2.620 122.560 119.914 0.044 0.000 2.825 96 V HA 0.240 4.359 4.120 -0.001 0.000 0.246 96 V C 0.296 176.478 176.094 0.145 0.000 1.068 96 V CA 0.614 62.955 62.300 0.068 0.000 1.088 96 V CB -0.374 31.481 31.823 0.053 0.000 0.733 96 V HN 0.663 nan 8.190 nan 0.000 0.468 97 Y N 0.969 121.280 120.300 0.019 0.000 2.373 97 Y HA 0.738 5.287 4.550 -0.001 0.000 0.336 97 Y C -0.942 174.993 175.900 0.058 0.000 0.979 97 Y CA -1.414 56.706 58.100 0.034 0.000 1.080 97 Y CB 2.047 40.518 38.460 0.019 0.000 1.190 97 Y HN 0.013 nan 8.280 nan 0.000 0.446 98 V N 3.991 123.511 119.914 -0.657 0.000 2.914 98 V HA 0.566 4.686 4.120 -0.001 0.000 0.314 98 V C -1.041 174.707 176.094 -0.576 0.000 1.084 98 V CA -1.187 60.857 62.300 -0.426 0.000 0.963 98 V CB 2.140 33.945 31.823 -0.031 0.000 1.025 98 V HN 0.750 nan 8.190 nan 0.000 0.432 99 E N 1.265 121.312 120.200 -0.255 0.000 2.325 99 E HA 0.505 4.854 4.350 -0.001 0.000 0.248 99 E C -1.105 175.478 176.600 -0.028 0.000 0.912 99 E CA -0.408 55.916 56.400 -0.126 0.000 0.782 99 E CB 2.086 31.760 29.700 -0.044 0.000 1.264 99 E HN 0.626 nan 8.360 nan 0.000 0.417 100 V N 2.182 122.076 119.914 -0.034 0.000 2.834 100 V HA 0.494 4.613 4.120 -0.001 0.000 0.301 100 V C 0.279 176.347 176.094 -0.045 0.000 1.066 100 V CA -0.667 61.559 62.300 -0.124 0.000 1.052 100 V CB 0.792 32.379 31.823 -0.393 0.000 1.021 100 V HN 0.629 nan 8.190 nan 0.000 0.480 101 R N 2.826 123.298 120.500 -0.047 0.000 2.628 101 R HA 0.786 5.126 4.340 -0.001 0.000 0.288 101 R C -1.642 174.751 176.300 0.156 0.000 0.980 101 R CA -0.769 55.324 56.100 -0.011 0.000 0.891 101 R CB 1.910 32.134 30.300 -0.126 0.000 1.188 101 R HN 0.863 nan 8.270 nan 0.000 0.450 102 Y N -1.778 118.540 120.300 0.029 0.000 2.624 102 Y HA 0.517 5.066 4.550 -0.000 0.000 0.334 102 Y C -1.255 174.699 175.900 0.089 0.000 1.155 102 Y CA -1.274 56.878 58.100 0.087 0.000 1.046 102 Y CB 1.474 39.957 38.460 0.038 0.000 1.316 102 Y HN 0.621 nan 8.280 nan 0.000 0.457 103 S N 2.685 118.500 115.700 0.190 0.000 2.489 103 S HA 0.422 4.891 4.470 -0.001 0.000 0.277 103 S C -1.944 172.753 174.600 0.162 0.000 1.230 103 S CA -1.490 56.777 58.200 0.111 0.000 1.053 103 S CB 0.800 64.120 63.200 0.199 0.000 0.955 103 S HN 0.593 nan 8.310 nan 0.000 0.488 104 P HA 0.029 nan 4.420 nan 0.000 0.220 104 P C 0.494 177.699 177.300 -0.159 0.000 1.152 104 P CA 1.087 64.186 63.100 -0.001 0.000 0.812 104 P CB -0.014 31.580 31.700 -0.176 0.000 0.792 105 H N -0.864 118.044 119.070 -0.271 0.000 2.462 105 H HA 0.075 4.631 4.556 -0.001 0.000 0.292 105 H C 1.814 176.931 175.328 -0.352 0.000 1.049 105 H CA 0.794 56.502 56.048 -0.566 0.000 1.334 105 H CB -0.878 27.998 29.762 -1.476 0.000 1.404 105 H HN 0.043 nan 8.280 nan 0.000 0.544 106 L N 0.012 121.252 121.223 0.029 0.000 2.478 106 L HA -0.011 4.328 4.340 -0.001 0.000 0.223 106 L C 0.999 178.071 176.870 0.336 0.000 1.140 106 L CA 0.556 55.527 54.840 0.219 0.000 0.842 106 L CB 0.091 42.358 42.059 0.345 0.000 0.953 106 L HN 0.322 nan 8.230 nan 0.000 0.452 107 L N -0.839 120.488 121.223 0.175 0.000 2.693 107 L HA 0.325 4.664 4.340 -0.001 0.000 0.235 107 L C 0.934 177.843 176.870 0.064 0.000 1.127 107 L CA -0.389 54.533 54.840 0.137 0.000 0.914 107 L CB 0.251 42.355 42.059 0.075 0.000 1.193 107 L HN 0.072 nan 8.230 nan 0.000 0.502 108 A N 0.736 123.568 122.820 0.020 0.000 2.282 108 A HA 0.408 4.727 4.320 -0.001 0.000 0.319 108 A C 0.458 178.054 177.584 0.020 0.000 1.121 108 A CA -0.466 51.559 52.037 -0.020 0.000 0.836 108 A CB 0.301 19.239 19.000 -0.103 0.000 1.146 108 A HN 0.468 nan 8.150 nan 0.000 0.494 109 N N -0.501 118.207 118.700 0.014 0.000 2.241 109 N HA 0.204 4.944 4.740 -0.001 0.000 0.238 109 N C -0.453 175.066 175.510 0.016 0.000 1.244 109 N CA 0.050 53.119 53.050 0.033 0.000 0.880 109 N CB 0.809 39.323 38.487 0.046 0.000 1.179 109 N HN 0.381 nan 8.380 nan 0.000 0.513 110 S N 0.463 116.160 115.700 -0.005 0.000 2.536 110 S HA 0.354 4.823 4.470 -0.001 0.000 0.271 110 S C -0.480 174.111 174.600 -0.015 0.000 1.134 110 S CA -0.287 57.911 58.200 -0.003 0.000 0.897 110 S CB 1.257 64.455 63.200 -0.003 0.000 1.094 110 S HN 0.232 nan 8.310 nan 0.000 0.473 111 K N 0.854 121.255 120.400 0.001 0.000 3.209 111 K HA -0.117 4.202 4.320 -0.001 0.000 0.289 111 K C -0.843 175.762 176.600 0.008 0.000 1.191 111 K CA 1.142 57.432 56.287 0.005 0.000 0.851 111 K CB -1.937 30.558 32.500 -0.009 0.000 1.242 111 K HN 0.430 nan 8.250 nan 0.000 0.480 112 V N 1.006 120.928 119.914 0.014 0.000 2.313 112 V HA 0.126 4.246 4.120 -0.001 0.000 0.278 112 V C 1.140 177.309 176.094 0.125 0.000 1.017 112 V CA -0.549 61.766 62.300 0.024 0.000 0.823 112 V CB 1.504 33.296 31.823 -0.052 0.000 1.010 112 V HN 0.254 nan 8.190 nan 0.000 0.443 113 D N 4.934 125.464 120.400 0.216 0.000 2.587 113 D HA -0.208 4.431 4.640 -0.001 0.000 0.487 113 D C -1.448 174.972 176.300 0.201 0.000 0.974 113 D CA 2.027 56.181 54.000 0.256 0.000 1.412 113 D CB -1.249 39.810 40.800 0.431 0.000 1.100 113 D HN 0.530 nan 8.370 nan 0.000 0.439 114 P HA 0.269 nan 4.420 nan 0.000 0.295 114 P C -0.714 176.667 177.300 0.135 0.000 1.354 114 P CA -0.501 62.681 63.100 0.135 0.000 0.814 114 P CB 0.969 32.705 31.700 0.060 0.000 0.935 115 M N 6.783 126.423 119.600 0.067 0.000 2.336 115 M HA 0.090 4.570 4.480 -0.001 0.000 0.371 115 M C -2.216 174.062 176.300 -0.037 0.000 1.542 115 M CA -1.143 54.177 55.300 0.033 0.000 0.959 115 M CB -0.485 32.134 32.600 0.031 0.000 2.033 115 M HN 0.163 nan 8.290 nan 0.000 0.472 116 P HA 0.232 nan 4.420 nan 0.000 0.286 116 P C -1.028 176.044 177.300 -0.380 0.000 1.261 116 P CA -0.044 62.762 63.100 -0.490 0.000 0.821 116 P CB 0.290 31.565 31.700 -0.709 0.000 1.013 117 W N 0.639 121.957 121.300 0.031 0.000 4.141 117 W HA -0.245 4.415 4.660 0.001 0.000 0.336 117 W C -0.049 176.480 176.519 0.016 0.000 1.258 117 W CA 0.176 57.529 57.345 0.014 0.000 0.747 117 W CB -3.259 26.208 29.460 0.012 0.000 2.338 117 W HN 0.502 nan 8.180 nan 0.000 1.410 118 N N -0.269 118.503 118.700 0.120 0.000 2.699 118 N HA -0.246 4.494 4.740 -0.001 0.000 0.256 118 N C 0.239 175.813 175.510 0.106 0.000 0.993 118 N CA 1.424 54.527 53.050 0.089 0.000 0.759 118 N CB -0.593 37.943 38.487 0.082 0.000 0.906 118 N HN 0.587 nan 8.380 nan 0.000 0.541 119 Q N -0.185 119.683 119.800 0.113 0.000 2.249 119 Q HA 0.445 4.785 4.340 -0.001 0.000 0.226 119 Q C 0.128 176.167 176.000 0.066 0.000 0.983 119 Q CA -0.350 55.515 55.803 0.104 0.000 0.930 119 Q CB 0.878 29.690 28.738 0.124 0.000 1.193 119 Q HN 0.338 nan 8.270 nan 0.000 0.508 120 T N -0.166 114.421 114.554 0.056 0.000 2.795 120 T HA 0.220 4.570 4.350 -0.001 0.000 0.282 120 T C -0.160 174.562 174.700 0.036 0.000 0.980 120 T CA -0.974 61.150 62.100 0.041 0.000 1.012 120 T CB 1.175 70.064 68.868 0.035 0.000 0.936 120 T HN 0.349 nan 8.240 nan 0.000 0.457 121 E N 1.230 121.448 120.200 0.030 0.000 2.696 121 E HA 0.139 4.488 4.350 -0.001 0.000 0.270 121 E C 0.585 177.198 176.600 0.023 0.000 0.958 121 E CA 0.986 57.402 56.400 0.026 0.000 0.964 121 E CB 0.432 30.145 29.700 0.021 0.000 0.948 121 E HN 0.920 nan 8.360 nan 0.000 0.472 122 G N 1.443 110.255 108.800 0.019 0.000 3.039 122 G HA2 0.181 4.141 3.960 -0.001 0.000 0.202 122 G HA3 0.181 4.141 3.960 -0.001 0.000 0.202 122 G C -0.566 174.340 174.900 0.011 0.000 1.151 122 G CA 0.124 45.234 45.100 0.016 0.000 0.836 122 G HN 0.537 nan 8.290 nan 0.000 0.598 123 D N -1.218 119.186 120.400 0.007 0.000 2.520 123 D HA 0.123 4.763 4.640 -0.001 0.000 0.223 123 D C 0.365 176.663 176.300 -0.002 0.000 1.186 123 D CA -0.088 53.914 54.000 0.004 0.000 0.821 123 D CB 0.411 41.214 40.800 0.006 0.000 1.072 123 D HN 0.222 nan 8.370 nan 0.000 0.518 124 V N 1.611 121.521 119.914 -0.005 0.000 2.326 124 V HA 0.207 4.326 4.120 -0.001 0.000 0.249 124 V C 0.820 176.896 176.094 -0.029 0.000 1.114 124 V CA -0.055 62.235 62.300 -0.016 0.000 1.028 124 V CB 0.035 31.848 31.823 -0.017 0.000 1.170 124 V HN 0.115 nan 8.190 nan 0.000 0.494 125 T N 7.530 122.064 114.554 -0.034 0.000 2.828 125 T HA 0.217 4.566 4.350 -0.001 0.000 0.290 125 T C -1.241 173.401 174.700 -0.096 0.000 1.019 125 T CA -1.056 61.011 62.100 -0.055 0.000 1.031 125 T CB 1.468 70.316 68.868 -0.032 0.000 1.001 125 T HN 0.385 nan 8.240 nan 0.000 0.531 126 P HA -0.074 nan 4.420 nan 0.000 0.217 126 P C 1.272 178.473 177.300 -0.166 0.000 1.150 126 P CA 0.729 63.670 63.100 -0.265 0.000 0.832 126 P CB 0.089 31.463 31.700 -0.543 0.000 0.787 127 D N -0.445 119.902 120.400 -0.089 0.000 2.178 127 D HA -0.176 4.463 4.640 -0.001 0.000 0.201 127 D C 1.093 177.392 176.300 -0.002 0.000 0.980 127 D CA 1.045 55.051 54.000 0.010 0.000 0.842 127 D CB -0.211 40.635 40.800 0.077 0.000 0.948 127 D HN 0.014 nan 8.370 nan 0.000 0.472 128 D N -0.006 120.380 120.400 -0.023 0.000 2.224 128 D HA -0.119 4.521 4.640 -0.001 0.000 0.205 128 D C 2.113 178.382 176.300 -0.052 0.000 0.965 128 D CA 0.559 54.548 54.000 -0.018 0.000 0.852 128 D CB 0.116 40.906 40.800 -0.017 0.000 0.947 128 D HN 0.274 nan 8.370 nan 0.000 0.494 129 V N -0.662 119.209 119.914 -0.072 0.000 2.788 129 V HA -0.068 4.051 4.120 -0.001 0.000 0.251 129 V C 2.016 178.063 176.094 -0.077 0.000 1.068 129 V CA 0.779 63.038 62.300 -0.068 0.000 1.090 129 V CB -0.109 31.690 31.823 -0.040 0.000 0.710 129 V HN -0.034 nan 8.190 nan 0.000 0.467 130 V N 1.273 121.103 119.914 -0.139 0.000 2.427 130 V HA -0.166 3.954 4.120 -0.001 0.000 0.248 130 V C 2.555 178.415 176.094 -0.390 0.000 1.051 130 V CA 2.419 64.566 62.300 -0.255 0.000 1.048 130 V CB -0.774 30.692 31.823 -0.594 0.000 0.666 130 V HN 0.691 nan 8.190 nan 0.000 0.456 131 D N 0.136 120.329 120.400 -0.345 0.000 2.084 131 D HA -0.143 4.497 4.640 -0.001 0.000 0.196 131 D C 2.048 178.313 176.300 -0.057 0.000 0.985 131 D CA 1.164 55.084 54.000 -0.133 0.000 0.826 131 D CB -0.151 40.671 40.800 0.037 0.000 0.978 131 D HN 0.158 nan 8.370 nan 0.000 0.456 132 L N 0.593 121.780 121.223 -0.059 0.000 1.990 132 L HA -0.150 4.190 4.340 -0.001 0.000 0.213 132 L C 2.716 179.552 176.870 -0.056 0.000 1.072 132 L CA 1.038 55.851 54.840 -0.044 0.000 0.755 132 L CB -1.255 40.768 42.059 -0.060 0.000 0.889 132 L HN 0.052 nan 8.230 nan 0.000 0.432 133 V N -0.408 119.438 119.914 -0.114 0.000 2.594 133 V HA -0.274 3.845 4.120 -0.001 0.000 0.253 133 V C 2.147 178.213 176.094 -0.047 0.000 1.069 133 V CA 1.601 63.814 62.300 -0.144 0.000 1.082 133 V CB -0.826 30.790 31.823 -0.345 0.000 0.680 133 V HN 0.547 nan 8.190 nan 0.000 0.469 134 N N -0.395 118.288 118.700 -0.028 0.000 2.142 134 N HA -0.185 4.555 4.740 -0.001 0.000 0.186 134 N C 1.966 177.511 175.510 0.059 0.000 1.023 134 N CA 1.074 54.141 53.050 0.029 0.000 0.852 134 N CB -0.101 38.411 38.487 0.042 0.000 0.998 134 N HN 0.577 nan 8.380 nan 0.000 0.424 135 Q N 0.224 120.054 119.800 0.050 0.000 2.050 135 Q HA -0.093 4.247 4.340 -0.001 0.000 0.202 135 Q C 2.359 178.418 176.000 0.099 0.000 0.980 135 Q CA 1.430 57.274 55.803 0.069 0.000 0.840 135 Q CB -0.256 28.514 28.738 0.052 0.000 0.898 135 Q HN 0.411 nan 8.270 nan 0.000 0.424 136 G N 0.812 109.672 108.800 0.099 0.000 2.422 136 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.218 136 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.218 136 G C 1.404 176.425 174.900 0.202 0.000 1.146 136 G CA 0.457 45.665 45.100 0.180 0.000 0.769 136 G HN 0.159 nan 8.290 nan 0.000 0.547 137 L N -0.495 120.806 121.223 0.129 0.000 2.093 137 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 137 L C 3.067 180.016 176.870 0.132 0.000 1.085 137 L CA 1.059 55.976 54.840 0.128 0.000 0.755 137 L CB -0.354 41.765 42.059 0.100 0.000 0.904 137 L HN 0.263 nan 8.230 nan 0.000 0.435 138 Q N -0.217 119.658 119.800 0.124 0.000 2.079 138 Q HA -0.187 4.152 4.340 -0.001 0.000 0.200 138 Q C 2.125 178.202 176.000 0.128 0.000 0.974 138 Q CA 1.370 57.242 55.803 0.115 0.000 0.840 138 Q CB 0.112 28.910 28.738 0.100 0.000 0.898 138 Q HN 0.472 nan 8.270 nan 0.000 0.430 139 E N -0.493 119.810 120.200 0.171 0.000 2.051 139 E HA -0.166 4.183 4.350 -0.001 0.000 0.192 139 E C 2.013 178.748 176.600 0.226 0.000 0.991 139 E CA 1.000 57.530 56.400 0.217 0.000 0.799 139 E CB -0.288 29.606 29.700 0.324 0.000 0.748 139 E HN 0.482 nan 8.360 nan 0.000 0.449 140 G N 1.245 110.177 108.800 0.220 0.000 2.450 140 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.220 140 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.220 140 G C 1.324 176.326 174.900 0.169 0.000 1.130 140 G CA 0.686 45.843 45.100 0.094 0.000 0.760 140 G HN 0.215 nan 8.290 nan 0.000 0.557 141 E N 0.004 120.281 120.200 0.128 0.000 2.072 141 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 141 E C 2.671 179.310 176.600 0.066 0.000 0.985 141 E CA 0.975 57.440 56.400 0.108 0.000 0.801 141 E CB -0.069 29.692 29.700 0.102 0.000 0.750 141 E HN 0.546 nan 8.360 nan 0.000 0.452 142 Q N -0.241 119.587 119.800 0.045 0.000 2.230 142 Q HA -0.022 4.318 4.340 -0.001 0.000 0.202 142 Q C 1.879 177.840 176.000 -0.066 0.000 0.963 142 Q CA 1.089 56.896 55.803 0.007 0.000 0.866 142 Q CB 0.147 28.897 28.738 0.020 0.000 0.931 142 Q HN 0.173 nan 8.270 nan 0.000 0.452 143 A N -0.701 122.031 122.820 -0.147 0.000 2.030 143 A HA 0.047 4.366 4.320 -0.001 0.000 0.215 143 A C 1.193 178.347 177.584 -0.716 0.000 1.164 143 A CA 0.586 52.361 52.037 -0.437 0.000 0.697 143 A CB 0.075 18.718 19.000 -0.595 0.000 0.827 143 A HN 0.291 nan 8.150 nan 0.000 0.457 144 F N -1.621 118.308 119.950 -0.036 0.000 2.712 144 F HA 0.392 4.918 4.527 -0.002 0.000 0.297 144 F C 1.695 177.475 175.800 -0.032 0.000 1.114 144 F CA 0.374 58.344 58.000 -0.051 0.000 1.305 144 F CB 0.436 39.376 39.000 -0.100 0.000 1.086 144 F HN 0.298 nan 8.300 nan 0.000 0.599 145 G N 1.936 110.803 108.800 0.111 0.000 2.140 145 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.211 145 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.211 145 G C -0.006 174.943 174.900 0.081 0.000 1.013 145 G CA 0.132 45.277 45.100 0.074 0.000 0.705 145 G HN 0.461 nan 8.290 nan 0.000 0.508 146 I N -2.847 117.781 120.570 0.097 0.000 2.646 146 I HA 0.871 5.040 4.170 -0.001 0.000 0.299 146 I C -0.118 176.063 176.117 0.108 0.000 1.036 146 I CA -1.798 59.553 61.300 0.085 0.000 1.074 146 I CB 1.828 39.856 38.000 0.046 0.000 1.258 146 I HN -0.014 nan 8.210 nan 0.000 0.430 147 K N 3.768 124.261 120.400 0.154 0.000 2.270 147 K HA 0.634 4.953 4.320 -0.001 0.000 0.276 147 K C -1.321 175.382 176.600 0.170 0.000 1.023 147 K CA -0.228 56.190 56.287 0.220 0.000 0.955 147 K CB 1.179 33.885 32.500 0.343 0.000 0.975 147 K HN 0.603 nan 8.250 nan 0.000 0.471 148 V N 5.384 125.380 119.914 0.136 0.000 2.655 148 V HA 0.445 4.564 4.120 -0.001 0.000 0.301 148 V C -0.743 175.399 176.094 0.079 0.000 1.082 148 V CA -0.878 61.441 62.300 0.033 0.000 0.899 148 V CB 1.737 33.615 31.823 0.092 0.000 1.014 148 V HN 0.813 nan 8.190 nan 0.000 0.429 149 R N 2.038 122.551 120.500 0.021 0.000 2.892 149 R HA 0.833 5.173 4.340 -0.001 0.000 0.265 149 R C -0.492 175.854 176.300 0.075 0.000 1.025 149 R CA -0.643 55.524 56.100 0.112 0.000 0.982 149 R CB 2.417 32.852 30.300 0.226 0.000 1.185 149 R HN 0.777 nan 8.270 nan 0.000 0.484 150 S N 0.303 116.063 115.700 0.101 0.000 2.704 150 S HA 0.695 5.165 4.470 -0.001 0.000 0.305 150 S C -0.044 174.591 174.600 0.058 0.000 1.107 150 S CA -0.846 57.405 58.200 0.085 0.000 0.993 150 S CB 1.444 64.732 63.200 0.147 0.000 1.110 150 S HN 0.481 nan 8.310 nan 0.000 0.534 151 I N 1.331 121.903 120.570 0.003 0.000 2.500 151 I HA 0.279 4.449 4.170 -0.001 0.000 0.286 151 I C -0.989 175.035 176.117 -0.156 0.000 1.063 151 I CA -0.581 60.699 61.300 -0.034 0.000 1.062 151 I CB 1.511 39.519 38.000 0.013 0.000 1.223 151 I HN 0.469 nan 8.210 nan 0.000 0.435 152 L N 4.970 126.078 121.223 -0.191 0.000 2.371 152 L HA 0.402 4.741 4.340 -0.001 0.000 0.272 152 L C -0.357 176.437 176.870 -0.127 0.000 1.124 152 L CA -0.408 54.262 54.840 -0.284 0.000 0.816 152 L CB 1.075 42.994 42.059 -0.233 0.000 1.129 152 L HN 0.588 nan 8.230 nan 0.000 0.448 153 C N 1.454 120.698 119.300 -0.093 0.000 2.366 153 C HA 0.478 4.938 4.460 -0.001 0.000 0.345 153 C C 0.316 175.369 174.990 0.105 0.000 1.209 153 C CA -0.798 58.246 59.018 0.044 0.000 2.050 153 C CB 1.102 28.901 27.740 0.099 0.000 2.359 153 C HN 0.800 nan 8.230 nan 0.000 0.527 154 C N 4.433 123.813 119.300 0.134 0.000 2.295 154 C HA 0.503 4.963 4.460 -0.001 0.000 0.331 154 C C 0.139 175.223 174.990 0.156 0.000 1.280 154 C CA -0.566 58.561 59.018 0.181 0.000 1.746 154 C CB 0.036 27.881 27.740 0.176 0.000 2.328 154 C HN 0.768 nan 8.230 nan 0.000 0.521 155 M N 3.594 123.338 119.600 0.239 0.000 2.120 155 M HA 0.252 4.732 4.480 -0.001 0.000 0.354 155 M C 1.417 177.818 176.300 0.167 0.000 1.287 155 M CA 0.137 55.536 55.300 0.165 0.000 1.103 155 M CB 0.388 33.106 32.600 0.196 0.000 1.623 155 M HN 0.739 nan 8.290 nan 0.000 0.471 156 R N 0.817 121.366 120.500 0.081 0.000 2.119 156 R HA -0.225 4.114 4.340 -0.001 0.000 0.246 156 R C 1.877 178.368 176.300 0.320 0.000 1.146 156 R CA 1.670 57.864 56.100 0.157 0.000 0.962 156 R CB -0.316 30.007 30.300 0.039 0.000 0.863 156 R HN 0.660 nan 8.270 nan 0.000 0.442 157 H N 0.021 119.148 119.070 0.094 0.000 2.462 157 H HA 0.012 4.567 4.556 -0.001 0.000 0.292 157 H C 0.062 175.308 175.328 -0.136 0.000 1.049 157 H CA 0.852 56.912 56.048 0.020 0.000 1.334 157 H CB 0.539 30.246 29.762 -0.092 0.000 1.404 157 H HN 0.089 nan 8.280 nan 0.000 0.544 158 Q N 0.996 120.637 119.800 -0.265 0.000 2.560 158 Q HA 0.186 4.525 4.340 -0.001 0.000 0.238 158 Q C -1.997 173.788 176.000 -0.358 0.000 1.079 158 Q CA -1.897 53.545 55.803 -0.602 0.000 0.866 158 Q CB 1.679 29.565 28.738 -1.419 0.000 1.153 158 Q HN 0.399 nan 8.270 nan 0.000 0.530 159 P HA -0.118 nan 4.420 nan 0.000 0.222 159 P C 1.348 178.509 177.300 -0.232 0.000 1.153 159 P CA 0.973 63.802 63.100 -0.452 0.000 0.798 159 P CB 0.281 31.644 31.700 -0.562 0.000 0.796 160 S N -1.952 113.592 115.700 -0.259 0.000 2.442 160 S HA -0.152 4.317 4.470 -0.001 0.000 0.236 160 S C 1.718 176.343 174.600 0.042 0.000 1.007 160 S CA 0.642 58.768 58.200 -0.123 0.000 0.965 160 S CB -1.325 61.790 63.200 -0.142 0.000 0.773 160 S HN 0.079 nan 8.310 nan 0.000 0.504 161 W N 2.205 123.404 121.300 -0.168 0.000 2.476 161 W HA 0.284 4.943 4.660 -0.001 0.000 0.281 161 W C 2.723 179.165 176.519 -0.129 0.000 1.230 161 W CA -0.318 56.850 57.345 -0.295 0.000 1.287 161 W CB -1.540 27.538 29.460 -0.637 0.000 1.108 161 W HN 0.313 nan 8.180 nan 0.000 0.567 162 S N 1.287 117.106 115.700 0.198 0.000 2.378 162 S HA -0.253 4.216 4.470 -0.001 0.000 0.229 162 S C 1.969 176.652 174.600 0.139 0.000 1.052 162 S CA 1.881 60.203 58.200 0.204 0.000 1.084 162 S CB -0.915 62.454 63.200 0.280 0.000 0.950 162 S HN 0.199 nan 8.310 nan 0.000 0.440 163 L N 0.883 122.171 121.223 0.108 0.000 2.131 163 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 163 L C 2.682 179.604 176.870 0.087 0.000 1.092 163 L CA 1.334 56.221 54.840 0.078 0.000 0.759 163 L CB -0.439 41.656 42.059 0.059 0.000 0.903 163 L HN 0.417 nan 8.230 nan 0.000 0.435 164 E N -0.072 120.207 120.200 0.131 0.000 2.106 164 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 164 E C 2.233 178.918 176.600 0.142 0.000 0.984 164 E CA 0.910 57.397 56.400 0.145 0.000 0.806 164 E CB 0.210 30.046 29.700 0.226 0.000 0.750 164 E HN 0.245 nan 8.360 nan 0.000 0.458 165 V N 1.408 121.432 119.914 0.184 0.000 2.392 165 V HA -0.259 3.861 4.120 -0.001 0.000 0.249 165 V C 2.392 178.508 176.094 0.036 0.000 1.059 165 V CA 1.525 63.897 62.300 0.119 0.000 1.051 165 V CB -0.480 31.414 31.823 0.119 0.000 0.658 165 V HN 0.366 nan 8.190 nan 0.000 0.455 166 L N 0.050 121.285 121.223 0.021 0.000 2.083 166 L HA -0.095 4.244 4.340 -0.001 0.000 0.209 166 L C 2.366 179.233 176.870 -0.005 0.000 1.083 166 L CA 1.896 56.722 54.840 -0.024 0.000 0.752 166 L CB -0.728 41.313 42.059 -0.031 0.000 0.899 166 L HN 0.246 nan 8.230 nan 0.000 0.433 167 E N -0.572 119.640 120.200 0.022 0.000 2.152 167 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 167 E C 2.180 178.804 176.600 0.041 0.000 0.983 167 E CA 0.677 57.090 56.400 0.021 0.000 0.818 167 E CB -0.257 29.460 29.700 0.028 0.000 0.758 167 E HN 0.330 nan 8.360 nan 0.000 0.467 168 L N 0.374 121.637 121.223 0.067 0.000 2.093 168 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 168 L C 2.381 179.352 176.870 0.168 0.000 1.085 168 L CA 1.035 55.961 54.840 0.143 0.000 0.755 168 L CB -1.130 40.976 42.059 0.079 0.000 0.904 168 L HN 0.168 nan 8.230 nan 0.000 0.435 169 C N -0.584 118.753 119.300 0.062 0.000 2.432 169 C HA -0.167 4.292 4.460 -0.001 0.000 0.277 169 C C 2.714 177.719 174.990 0.024 0.000 1.249 169 C CA 0.534 59.572 59.018 0.033 0.000 1.725 169 C CB -0.615 27.102 27.740 -0.039 0.000 2.028 169 C HN 0.468 nan 8.230 nan 0.000 0.477 170 K N 0.811 121.208 120.400 -0.005 0.000 2.097 170 K HA -0.176 4.143 4.320 -0.001 0.000 0.206 170 K C 2.133 178.707 176.600 -0.044 0.000 1.049 170 K CA 1.265 57.534 56.287 -0.029 0.000 0.933 170 K CB -0.160 32.319 32.500 -0.036 0.000 0.717 170 K HN 0.502 nan 8.250 nan 0.000 0.442 171 K N -0.032 120.338 120.400 -0.050 0.000 2.116 171 K HA -0.099 4.221 4.320 -0.001 0.000 0.203 171 K C 0.657 177.060 176.600 -0.328 0.000 1.052 171 K CA 1.137 57.310 56.287 -0.188 0.000 0.952 171 K CB 0.166 32.529 32.500 -0.228 0.000 0.729 171 K HN 0.096 nan 8.250 nan 0.000 0.446 172 Y N 1.265 121.560 120.300 -0.007 0.000 2.658 172 Y HA 0.216 4.765 4.550 -0.001 0.000 0.276 172 Y C -0.067 175.838 175.900 0.010 0.000 1.167 172 Y CA -0.874 57.230 58.100 0.007 0.000 1.230 172 Y CB 0.015 38.484 38.460 0.015 0.000 1.144 172 Y HN 0.031 nan 8.280 nan 0.000 0.529 173 N N 1.953 120.692 118.700 0.066 0.000 2.294 173 N HA -0.121 4.619 4.740 -0.001 0.000 0.263 173 N C 0.649 176.199 175.510 0.066 0.000 1.281 173 N CA 1.051 54.130 53.050 0.049 0.000 0.846 173 N CB 0.462 38.950 38.487 0.000 0.000 1.061 173 N HN 0.368 nan 8.380 nan 0.000 0.478 174 Q N 0.821 120.674 119.800 0.088 0.000 2.223 174 Q HA -0.278 4.061 4.340 -0.001 0.000 0.150 174 Q C -0.369 175.699 176.000 0.114 0.000 0.715 174 Q CA 1.630 57.492 55.803 0.099 0.000 1.376 174 Q CB -1.248 27.534 28.738 0.075 0.000 1.373 174 Q HN 0.710 nan 8.270 nan 0.000 0.940 175 K N 1.865 122.342 120.400 0.129 0.000 3.000 175 K HA 0.143 4.463 4.320 -0.001 0.000 0.265 175 K C 0.940 177.645 176.600 0.175 0.000 1.260 175 K CA 0.869 57.250 56.287 0.156 0.000 1.209 175 K CB -0.449 32.168 32.500 0.195 0.000 1.484 175 K HN 0.487 nan 8.250 nan 0.000 0.283 176 T N -3.816 110.825 114.554 0.145 0.000 10.716 176 T HA -0.203 4.146 4.350 -0.001 0.000 0.368 176 T C 0.322 175.102 174.700 0.134 0.000 1.780 176 T CA 0.956 63.138 62.100 0.136 0.000 2.855 176 T CB -1.458 67.481 68.868 0.120 0.000 2.435 176 T HN 0.079 nan 8.240 nan 0.000 0.858 177 V N 3.672 123.668 119.914 0.137 0.000 2.455 177 V HA 0.572 4.692 4.120 -0.001 0.000 0.273 177 V C 1.843 177.999 176.094 0.103 0.000 1.045 177 V CA 0.208 62.572 62.300 0.106 0.000 0.976 177 V CB 1.207 33.093 31.823 0.105 0.000 0.993 177 V HN 0.945 nan 8.190 nan 0.000 0.475 178 V N 1.600 121.578 119.914 0.106 0.000 3.548 178 V HA 0.839 4.959 4.120 -0.001 0.000 0.279 178 V C 0.464 176.577 176.094 0.032 0.000 1.446 178 V CA 0.693 63.071 62.300 0.131 0.000 1.023 178 V CB 0.087 32.056 31.823 0.244 0.000 0.820 178 V HN 0.941 nan 8.190 nan 0.000 0.438 179 A N 0.262 123.062 122.820 -0.034 0.000 2.493 179 A HA 0.858 5.178 4.320 -0.001 0.000 0.300 179 A C -1.243 176.266 177.584 -0.124 0.000 1.152 179 A CA -0.414 51.518 52.037 -0.176 0.000 0.643 179 A CB 1.706 20.511 19.000 -0.325 0.000 1.316 179 A HN 0.347 nan 8.150 nan 0.000 0.469 180 M N 0.536 120.043 119.600 -0.155 0.000 2.530 180 M HA 0.638 5.118 4.480 -0.001 0.000 0.307 180 M C -1.893 174.393 176.300 -0.023 0.000 1.161 180 M CA -0.375 54.844 55.300 -0.135 0.000 0.903 180 M CB 2.074 34.505 32.600 -0.281 0.000 1.711 180 M HN 0.889 nan 8.290 nan 0.000 0.451 181 D N 2.345 122.778 120.400 0.055 0.000 2.552 181 D HA 0.584 5.223 4.640 -0.001 0.000 0.239 181 D C -2.120 174.327 176.300 0.246 0.000 1.139 181 D CA -0.432 53.684 54.000 0.193 0.000 0.914 181 D CB 2.239 43.135 40.800 0.159 0.000 1.461 181 D HN 0.515 nan 8.370 nan 0.000 0.462 182 L N 2.016 123.411 121.223 0.287 0.000 2.388 182 L HA 0.853 5.193 4.340 -0.001 0.000 0.267 182 L C -1.044 175.908 176.870 0.138 0.000 0.995 182 L CA -0.198 54.732 54.840 0.150 0.000 0.864 182 L CB 0.519 42.590 42.059 0.020 0.000 1.216 182 L HN 0.540 nan 8.230 nan 0.000 0.430 183 A N 2.777 125.624 122.820 0.046 0.000 2.468 183 A HA 1.061 5.380 4.320 -0.001 0.000 0.270 183 A C 0.412 177.935 177.584 -0.101 0.000 1.217 183 A CA -0.116 51.814 52.037 -0.178 0.000 0.908 183 A CB 0.719 19.602 19.000 -0.194 0.000 1.423 183 A HN 1.631 nan 8.150 nan 0.000 0.459 184 G N -0.914 107.810 108.800 -0.126 0.000 2.384 184 G HA2 0.131 4.090 3.960 -0.001 0.000 0.204 184 G HA3 0.131 4.090 3.960 -0.001 0.000 0.204 184 G C -1.103 173.790 174.900 -0.013 0.000 1.237 184 G CA -0.011 45.059 45.100 -0.051 0.000 1.060 184 G HN 0.944 nan 8.290 nan 0.000 0.514 185 D N 0.668 121.075 120.400 0.012 0.000 2.344 185 D HA 0.272 4.911 4.640 -0.001 0.000 0.253 185 D C 1.332 177.647 176.300 0.025 0.000 1.255 185 D CA 0.139 54.158 54.000 0.031 0.000 0.894 185 D CB 1.129 41.947 40.800 0.030 0.000 1.067 185 D HN 0.525 nan 8.370 nan 0.000 0.492 186 E N 1.527 121.743 120.200 0.027 0.000 2.274 186 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 186 E C 1.386 177.987 176.600 0.001 0.000 0.996 186 E CA 0.770 57.178 56.400 0.012 0.000 0.840 186 E CB 0.349 30.070 29.700 0.034 0.000 0.772 186 E HN 0.571 nan 8.360 nan 0.000 0.491 187 T N -1.051 113.510 114.554 0.012 0.000 3.051 187 T HA -0.008 4.342 4.350 -0.001 0.000 0.269 187 T C 1.028 175.732 174.700 0.006 0.000 1.127 187 T CA 0.049 62.151 62.100 0.003 0.000 1.107 187 T CB -0.339 68.534 68.868 0.009 0.000 0.898 187 T HN 0.027 nan 8.240 nan 0.000 0.517 188 I N 2.813 123.392 120.570 0.016 0.000 2.581 188 I HA 0.100 4.270 4.170 -0.001 0.000 0.285 188 I C 0.658 176.767 176.117 -0.013 0.000 1.129 188 I CA -0.359 60.963 61.300 0.037 0.000 1.397 188 I CB 0.329 38.383 38.000 0.090 0.000 1.399 188 I HN 0.352 nan 8.210 nan 0.000 0.537 189 E N 6.191 126.396 120.200 0.008 0.000 2.480 189 E HA 0.120 4.470 4.350 -0.001 0.000 0.258 189 E C 1.130 177.698 176.600 -0.053 0.000 0.984 189 E CA 0.722 57.113 56.400 -0.016 0.000 0.930 189 E CB 0.440 30.147 29.700 0.012 0.000 0.936 189 E HN 0.814 nan 8.360 nan 0.000 0.466 190 G N 3.423 112.152 108.800 -0.118 0.000 2.168 190 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.257 190 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.257 190 G C 0.857 175.396 174.900 -0.601 0.000 0.997 190 G CA 0.882 45.867 45.100 -0.192 0.000 0.708 190 G HN 0.789 nan 8.290 nan 0.000 0.520 191 S N -0.487 114.789 115.700 -0.707 0.000 2.428 191 S HA 0.019 4.488 4.470 -0.001 0.000 0.230 191 S C 2.221 176.411 174.600 -0.683 0.000 1.014 191 S CA 1.519 58.982 58.200 -1.227 0.000 0.957 191 S CB -0.145 62.752 63.200 -0.504 0.000 0.784 191 S HN 0.736 nan 8.310 nan 0.000 0.499 192 S N 1.551 117.028 115.700 -0.372 0.000 2.515 192 S HA 0.206 4.676 4.470 -0.001 0.000 0.231 192 S C 1.087 175.598 174.600 -0.148 0.000 0.987 192 S CA 0.372 58.441 58.200 -0.219 0.000 0.936 192 S CB -0.183 62.918 63.200 -0.165 0.000 0.766 192 S HN 0.280 nan 8.310 nan 0.000 0.528 193 L N 0.427 121.536 121.223 -0.191 0.000 2.693 193 L HA 0.444 4.784 4.340 -0.001 0.000 0.235 193 L C -0.246 176.673 176.870 0.081 0.000 1.127 193 L CA -0.285 54.526 54.840 -0.048 0.000 0.914 193 L CB -1.099 40.939 42.059 -0.036 0.000 1.193 193 L HN 0.155 nan 8.230 nan 0.000 0.502 194 F N 1.728 121.699 119.950 0.035 0.000 2.628 194 F HA 0.088 4.614 4.527 -0.001 0.000 0.362 194 F C -0.690 175.074 175.800 -0.061 0.000 1.148 194 F CA -1.903 56.060 58.000 -0.060 0.000 1.352 194 F CB -0.541 38.345 39.000 -0.190 0.000 1.081 194 F HN -0.037 nan 8.300 nan 0.000 0.605 195 P HA -0.077 nan 4.420 nan 0.000 0.217 195 P C 1.719 179.044 177.300 0.042 0.000 1.150 195 P CA 1.830 64.966 63.100 0.060 0.000 0.832 195 P CB -0.008 31.701 31.700 0.015 0.000 0.787 196 G N -0.358 108.422 108.800 -0.033 0.000 2.446 196 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.217 196 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.217 196 G C 1.268 176.221 174.900 0.088 0.000 1.168 196 G CA 1.024 46.101 45.100 -0.038 0.000 0.771 196 G HN 0.356 nan 8.290 nan 0.000 0.551 197 H N -0.569 118.589 119.070 0.148 0.000 2.299 197 H HA -0.017 4.538 4.556 -0.001 0.000 0.302 197 H C 2.803 178.260 175.328 0.216 0.000 1.078 197 H CA 0.755 56.918 56.048 0.192 0.000 1.323 197 H CB -0.064 29.776 29.762 0.130 0.000 1.381 197 H HN 0.183 nan 8.280 nan 0.000 0.498 198 V N 1.151 121.219 119.914 0.256 0.000 2.324 198 V HA -0.276 3.843 4.120 -0.001 0.000 0.250 198 V C 2.070 178.268 176.094 0.173 0.000 1.060 198 V CA 2.038 64.440 62.300 0.171 0.000 1.042 198 V CB -0.403 31.483 31.823 0.105 0.000 0.650 198 V HN 0.434 nan 8.190 nan 0.000 0.450 199 E N -0.280 120.005 120.200 0.141 0.000 2.072 199 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 199 E C 2.309 178.976 176.600 0.111 0.000 0.985 199 E CA 1.232 57.693 56.400 0.102 0.000 0.801 199 E CB -0.367 29.373 29.700 0.067 0.000 0.750 199 E HN 0.604 nan 8.360 nan 0.000 0.452 200 A N 0.113 123.020 122.820 0.144 0.000 1.902 200 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 200 A C 1.800 179.398 177.584 0.024 0.000 1.181 200 A CA 1.269 53.353 52.037 0.079 0.000 0.623 200 A CB -0.788 18.268 19.000 0.093 0.000 0.818 200 A HN 0.308 nan 8.150 nan 0.000 0.443 201 Y N 0.520 120.851 120.300 0.051 0.000 2.352 201 Y HA -0.123 4.426 4.550 -0.001 0.000 0.292 201 Y C 2.440 178.351 175.900 0.019 0.000 1.136 201 Y CA 1.574 59.693 58.100 0.031 0.000 1.227 201 Y CB -0.087 38.395 38.460 0.036 0.000 0.991 201 Y HN 0.454 nan 8.280 nan 0.000 0.545 202 E N -1.077 119.215 120.200 0.154 0.000 2.150 202 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 202 E C 2.402 179.026 176.600 0.040 0.000 0.985 202 E CA 0.899 57.352 56.400 0.088 0.000 0.814 202 E CB -0.331 29.413 29.700 0.073 0.000 0.752 202 E HN 0.539 nan 8.360 nan 0.000 0.466 203 G N 1.035 109.849 108.800 0.022 0.000 2.464 203 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.217 203 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.217 203 G C 1.624 176.498 174.900 -0.042 0.000 1.138 203 G CA 0.551 45.646 45.100 -0.009 0.000 0.793 203 G HN 0.291 nan 8.290 nan 0.000 0.539 204 A N 0.168 122.945 122.820 -0.070 0.000 2.016 204 A HA 0.236 4.556 4.320 -0.001 0.000 0.217 204 A C 2.425 179.961 177.584 -0.081 0.000 1.162 204 A CA 1.263 53.227 52.037 -0.121 0.000 0.662 204 A CB -0.211 18.652 19.000 -0.229 0.000 0.812 204 A HN 0.199 nan 8.150 nan 0.000 0.450 205 V N 0.914 120.813 119.914 -0.025 0.000 2.591 205 V HA -0.193 3.926 4.120 -0.001 0.000 0.249 205 V C 2.431 178.512 176.094 -0.022 0.000 1.053 205 V CA 2.123 64.417 62.300 -0.009 0.000 1.068 205 V CB -0.509 31.332 31.823 0.031 0.000 0.689 205 V HN 0.848 nan 8.190 nan 0.000 0.462 206 K N -0.557 119.831 120.400 -0.020 0.000 2.361 206 K HA 0.054 4.373 4.320 -0.001 0.000 0.196 206 K C 1.285 177.863 176.600 -0.036 0.000 1.039 206 K CA 0.809 57.083 56.287 -0.021 0.000 1.001 206 K CB -0.085 32.409 32.500 -0.010 0.000 0.795 206 K HN 0.320 nan 8.250 nan 0.000 0.495 207 N N 0.779 119.447 118.700 -0.052 0.000 2.280 207 N HA 0.037 4.776 4.740 -0.001 0.000 0.192 207 N C 0.432 175.888 175.510 -0.089 0.000 1.109 207 N CA 0.918 53.931 53.050 -0.062 0.000 0.855 207 N CB 1.192 39.642 38.487 -0.062 0.000 0.974 207 N HN 0.532 nan 8.380 nan 0.000 0.482 208 G N 1.127 109.862 108.800 -0.109 0.000 2.136 208 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.242 208 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.242 208 G C -0.099 174.637 174.900 -0.273 0.000 0.989 208 G CA -0.371 44.631 45.100 -0.164 0.000 0.682 208 G HN 0.170 nan 8.290 nan 0.000 0.522 209 I N 1.696 122.123 120.570 -0.238 0.000 2.352 209 I HA 0.278 4.448 4.170 -0.001 0.000 0.290 209 I C 1.282 177.188 176.117 -0.352 0.000 1.036 209 I CA -1.047 60.081 61.300 -0.287 0.000 1.336 209 I CB -0.150 37.730 38.000 -0.202 0.000 1.407 209 I HN 0.169 nan 8.210 nan 0.000 0.497 210 H N 6.145 125.014 119.070 -0.335 0.000 2.871 210 H HA 0.242 4.797 4.556 -0.001 0.000 0.377 210 H C -0.028 174.995 175.328 -0.508 0.000 1.307 210 H CA 0.476 56.180 56.048 -0.574 0.000 1.449 210 H CB 0.664 29.635 29.762 -1.318 0.000 1.452 210 H HN 0.448 nan 8.280 nan 0.000 0.619 211 R N -0.048 120.303 120.500 -0.248 0.000 2.698 211 R HA 0.490 4.830 4.340 -0.001 0.000 0.275 211 R C -1.241 175.189 176.300 0.216 0.000 1.001 211 R CA -0.761 55.341 56.100 0.003 0.000 0.896 211 R CB 2.470 32.884 30.300 0.191 0.000 1.218 211 R HN 0.567 nan 8.270 nan 0.000 0.462 212 T N 0.773 115.492 114.554 0.276 0.000 2.956 212 T HA 0.590 4.939 4.350 -0.001 0.000 0.312 212 T C -1.723 173.129 174.700 0.254 0.000 1.151 212 T CA -0.529 61.743 62.100 0.286 0.000 1.024 212 T CB 1.481 70.531 68.868 0.303 0.000 1.140 212 T HN 0.204 nan 8.240 nan 0.000 0.473 213 V N 4.412 124.433 119.914 0.178 0.000 2.623 213 V HA 0.394 4.513 4.120 -0.001 0.000 0.304 213 V C -0.743 175.464 176.094 0.189 0.000 1.054 213 V CA -0.966 61.429 62.300 0.160 0.000 0.882 213 V CB 1.649 33.485 31.823 0.022 0.000 1.002 213 V HN 0.995 nan 8.190 nan 0.000 0.424 214 H N 3.098 122.265 119.070 0.161 0.000 3.026 214 H HA 0.611 5.166 4.556 -0.001 0.000 0.289 214 H C 0.334 175.750 175.328 0.146 0.000 1.022 214 H CA 1.190 57.379 56.048 0.235 0.000 1.477 214 H CB 0.704 30.632 29.762 0.278 0.000 1.510 214 H HN 0.981 nan 8.280 nan 0.000 0.535 215 A N 1.877 124.844 122.820 0.245 0.000 2.566 215 A HA 0.542 4.861 4.320 -0.001 0.000 0.297 215 A C 0.907 178.582 177.584 0.152 0.000 1.059 215 A CA -0.259 51.872 52.037 0.157 0.000 0.691 215 A CB 0.901 19.965 19.000 0.108 0.000 1.282 215 A HN 0.966 nan 8.150 nan 0.000 0.401 216 G N 0.610 109.496 108.800 0.143 0.000 2.184 216 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.264 216 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.264 216 G C 0.854 175.867 174.900 0.188 0.000 0.975 216 G CA 1.378 46.592 45.100 0.189 0.000 0.642 216 G HN 1.243 nan 8.290 nan 0.000 0.536 217 E N -0.705 119.549 120.200 0.090 0.000 2.106 217 E HA 0.152 4.502 4.350 -0.001 0.000 0.192 217 E C 1.917 178.610 176.600 0.155 0.000 0.984 217 E CA 1.650 58.021 56.400 -0.049 0.000 0.806 217 E CB -0.015 29.496 29.700 -0.315 0.000 0.750 217 E HN 0.590 nan 8.360 nan 0.000 0.458 218 V N -0.482 119.521 119.914 0.148 0.000 3.432 218 V HA 0.287 4.406 4.120 -0.001 0.000 0.290 218 V C 0.560 176.643 176.094 -0.019 0.000 1.591 218 V CA 0.279 62.646 62.300 0.112 0.000 1.069 218 V CB 1.138 32.988 31.823 0.045 0.000 0.892 218 V HN 0.321 nan 8.190 nan 0.000 0.436 219 G N 0.625 109.436 108.800 0.018 0.000 2.537 219 G HA2 0.500 4.459 3.960 -0.001 0.000 0.297 219 G HA3 0.500 4.459 3.960 -0.001 0.000 0.297 219 G C 0.255 175.098 174.900 -0.095 0.000 1.310 219 G CA 0.477 45.550 45.100 -0.045 0.000 1.027 219 G HN 0.453 nan 8.290 nan 0.000 0.505 220 S N -0.486 115.173 115.700 -0.069 0.000 2.671 220 S HA 0.394 4.864 4.470 -0.001 0.000 0.272 220 S C -1.684 172.943 174.600 0.044 0.000 1.174 220 S CA -0.855 57.318 58.200 -0.045 0.000 1.004 220 S CB 1.746 64.922 63.200 -0.040 0.000 1.077 220 S HN 0.226 nan 8.310 nan 0.000 0.553 221 P HA 0.001 nan 4.420 nan 0.000 0.221 221 P C 1.313 178.656 177.300 0.072 0.000 1.150 221 P CA 1.050 64.209 63.100 0.097 0.000 0.800 221 P CB -0.056 31.703 31.700 0.098 0.000 0.787 222 E N 0.366 120.591 120.200 0.042 0.000 2.085 222 E HA -0.143 4.206 4.350 -0.001 0.000 0.194 222 E C 1.794 178.407 176.600 0.022 0.000 0.994 222 E CA 1.248 57.665 56.400 0.028 0.000 0.801 222 E CB -1.255 28.452 29.700 0.011 0.000 0.743 222 E HN -0.061 nan 8.360 nan 0.000 0.453 223 V N -0.122 119.804 119.914 0.020 0.000 2.287 223 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 223 V C 2.465 178.576 176.094 0.029 0.000 1.053 223 V CA 1.700 64.006 62.300 0.010 0.000 1.027 223 V CB -0.578 31.252 31.823 0.011 0.000 0.646 223 V HN 0.206 nan 8.190 nan 0.000 0.447 224 V N 0.205 120.160 119.914 0.068 0.000 2.407 224 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 224 V C 2.569 178.704 176.094 0.068 0.000 1.055 224 V CA 2.381 64.736 62.300 0.092 0.000 1.049 224 V CB -0.876 31.041 31.823 0.156 0.000 0.662 224 V HN 0.536 nan 8.190 nan 0.000 0.455 225 R N 0.152 120.689 120.500 0.062 0.000 2.115 225 R HA -0.172 4.167 4.340 -0.001 0.000 0.230 225 R C 2.151 178.464 176.300 0.020 0.000 1.111 225 R CA 1.743 57.871 56.100 0.048 0.000 0.976 225 R CB -0.090 30.238 30.300 0.048 0.000 0.870 225 R HN 0.614 nan 8.270 nan 0.000 0.445 226 E N -0.186 120.016 120.200 0.003 0.000 2.158 226 E HA -0.070 4.280 4.350 -0.001 0.000 0.191 226 E C 1.828 178.400 176.600 -0.046 0.000 0.982 226 E CA 0.902 57.289 56.400 -0.022 0.000 0.823 226 E CB 0.045 29.722 29.700 -0.038 0.000 0.766 226 E HN 0.442 nan 8.360 nan 0.000 0.468 227 A N 0.638 123.432 122.820 -0.044 0.000 2.014 227 A HA -0.081 4.239 4.320 -0.001 0.000 0.218 227 A C 2.310 179.868 177.584 -0.043 0.000 1.163 227 A CA 0.836 52.827 52.037 -0.076 0.000 0.652 227 A CB -0.125 18.851 19.000 -0.039 0.000 0.808 227 A HN 0.106 nan 8.150 nan 0.000 0.449 228 V N -0.143 119.767 119.914 -0.007 0.000 2.500 228 V HA -0.081 4.038 4.120 -0.001 0.000 0.243 228 V C 1.781 177.881 176.094 0.011 0.000 1.039 228 V CA 1.937 64.241 62.300 0.007 0.000 1.053 228 V CB -0.353 31.483 31.823 0.021 0.000 0.695 228 V HN 0.460 nan 8.190 nan 0.000 0.463 229 D N -0.323 120.082 120.400 0.009 0.000 2.259 229 D HA 0.137 4.777 4.640 -0.001 0.000 0.216 229 D C 2.006 178.311 176.300 0.008 0.000 0.961 229 D CA 0.912 54.920 54.000 0.013 0.000 0.878 229 D CB 0.264 41.073 40.800 0.016 0.000 1.009 229 D HN 0.339 nan 8.370 nan 0.000 0.490 230 I N -0.041 120.526 120.570 -0.006 0.000 2.628 230 I HA -0.082 4.088 4.170 -0.001 0.000 0.255 230 I C 1.631 177.741 176.117 -0.012 0.000 1.119 230 I CA 0.352 61.648 61.300 -0.005 0.000 1.448 230 I CB 0.274 38.266 38.000 -0.013 0.000 1.133 230 I HN -0.073 nan 8.210 nan 0.000 0.438 231 L N 0.633 121.817 121.223 -0.064 0.000 2.270 231 L HA 0.081 4.420 4.340 -0.001 0.000 0.210 231 L C 0.789 177.668 176.870 0.014 0.000 1.104 231 L CA 0.897 55.662 54.840 -0.124 0.000 0.804 231 L CB -0.480 41.327 42.059 -0.421 0.000 0.937 231 L HN 0.187 nan 8.230 nan 0.000 0.450 232 K N 0.209 120.622 120.400 0.021 0.000 3.203 232 K HA -0.125 4.195 4.320 -0.001 0.000 0.270 232 K C 0.088 176.752 176.600 0.107 0.000 1.132 232 K CA 0.670 56.998 56.287 0.068 0.000 0.794 232 K CB -2.792 29.762 32.500 0.089 0.000 1.270 232 K HN 0.411 nan 8.250 nan 0.000 0.491 233 T N -0.442 114.160 114.554 0.079 0.000 2.802 233 T HA 0.125 4.474 4.350 -0.001 0.000 0.305 233 T C 1.469 176.242 174.700 0.122 0.000 1.053 233 T CA -0.257 61.919 62.100 0.128 0.000 1.058 233 T CB 0.999 69.920 68.868 0.088 0.000 0.988 233 T HN 0.271 nan 8.240 nan 0.000 0.539 234 E N -0.134 120.176 120.200 0.184 0.000 2.434 234 E HA 0.136 4.485 4.350 -0.001 0.000 0.207 234 E C 0.542 177.225 176.600 0.139 0.000 0.929 234 E CA 0.061 56.574 56.400 0.188 0.000 1.001 234 E CB 0.603 30.502 29.700 0.331 0.000 1.016 234 E HN 0.408 nan 8.360 nan 0.000 0.502 235 R N 0.617 121.215 120.500 0.164 0.000 2.837 235 R HA 0.553 4.892 4.340 -0.001 0.000 0.271 235 R C -1.209 175.110 176.300 0.031 0.000 0.993 235 R CA -0.734 55.414 56.100 0.080 0.000 0.931 235 R CB 2.774 33.155 30.300 0.134 0.000 1.206 235 R HN -0.163 nan 8.270 nan 0.000 0.474 236 V N 1.171 121.046 119.914 -0.066 0.000 2.376 236 V HA 0.323 4.443 4.120 -0.001 0.000 0.287 236 V C 0.251 176.368 176.094 0.038 0.000 1.015 236 V CA -0.673 61.617 62.300 -0.016 0.000 0.834 236 V CB 1.652 33.431 31.823 -0.073 0.000 1.001 236 V HN 0.946 nan 8.190 nan 0.000 0.428 237 G N 3.783 112.621 108.800 0.063 0.000 2.367 237 G HA2 0.408 4.367 3.960 -0.001 0.000 0.282 237 G HA3 0.408 4.367 3.960 -0.001 0.000 0.282 237 G C 0.511 175.406 174.900 -0.007 0.000 1.140 237 G CA 0.566 45.674 45.100 0.012 0.000 1.088 237 G HN 0.988 nan 8.290 nan 0.000 0.431 238 H N 2.044 121.020 119.070 -0.158 0.000 4.711 238 H HA -0.275 4.280 4.556 -0.001 0.000 0.061 238 H C 2.184 177.240 175.328 -0.453 0.000 0.620 238 H CA 1.694 57.405 56.048 -0.562 0.000 0.908 238 H CB -1.469 27.949 29.762 -0.573 0.000 0.416 238 H HN 1.833 nan 8.280 nan 0.000 0.813 239 G N 1.320 110.107 108.800 -0.023 0.000 2.296 239 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.282 239 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.282 239 G C 0.559 175.511 174.900 0.086 0.000 1.014 239 G CA 1.520 46.739 45.100 0.199 0.000 0.812 239 G HN 0.535 nan 8.290 nan 0.000 0.508 240 Y N -0.639 119.715 120.300 0.090 0.000 2.114 240 Y HA -0.052 4.497 4.550 -0.001 0.000 0.284 240 Y C 2.587 178.304 175.900 -0.305 0.000 1.143 240 Y CA 1.660 59.637 58.100 -0.206 0.000 1.135 240 Y CB -0.961 37.288 38.460 -0.352 0.000 0.980 240 Y HN 0.542 nan 8.280 nan 0.000 0.499 241 H N -0.797 118.347 119.070 0.124 0.000 2.560 241 H HA -0.086 4.470 4.556 -0.001 0.000 0.283 241 H C 1.846 177.195 175.328 0.034 0.000 1.028 241 H CA 1.293 57.373 56.048 0.052 0.000 1.221 241 H CB -0.275 29.520 29.762 0.055 0.000 1.363 241 H HN 0.269 nan 8.280 nan 0.000 0.594 242 T N 1.110 115.736 114.554 0.119 0.000 2.803 242 T HA -0.162 4.187 4.350 -0.001 0.000 0.269 242 T C 2.110 176.833 174.700 0.038 0.000 1.052 242 T CA 1.381 63.573 62.100 0.152 0.000 1.136 242 T CB -0.255 68.782 68.868 0.281 0.000 0.864 242 T HN 0.622 nan 8.240 nan 0.000 0.467 243 I N 0.019 120.473 120.570 -0.194 0.000 2.756 243 I HA -0.035 4.134 4.170 -0.001 0.000 0.262 243 I C 1.880 177.924 176.117 -0.121 0.000 1.225 243 I CA 1.406 62.475 61.300 -0.384 0.000 1.472 243 I CB -0.563 37.093 38.000 -0.573 0.000 1.094 243 I HN 0.205 nan 8.210 nan 0.000 0.454 244 E N 1.029 121.217 120.200 -0.021 0.000 2.268 244 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 244 E C 0.428 177.059 176.600 0.052 0.000 0.995 244 E CA 0.668 57.084 56.400 0.027 0.000 0.836 244 E CB -0.006 29.736 29.700 0.070 0.000 0.763 244 E HN 0.444 nan 8.360 nan 0.000 0.491 245 D N 0.779 121.229 120.400 0.083 0.000 2.540 245 D HA 0.005 4.645 4.640 -0.001 0.000 0.251 245 D C 0.695 177.080 176.300 0.142 0.000 1.159 245 D CA -0.071 53.989 54.000 0.100 0.000 0.974 245 D CB 0.312 41.176 40.800 0.106 0.000 0.996 245 D HN -0.088 nan 8.370 nan 0.000 0.512 246 E N 1.522 121.800 120.200 0.129 0.000 2.164 246 E HA -0.280 4.069 4.350 -0.001 0.000 0.206 246 E C 1.583 178.285 176.600 0.170 0.000 1.032 246 E CA 1.432 57.936 56.400 0.173 0.000 0.832 246 E CB -0.004 29.767 29.700 0.119 0.000 0.742 246 E HN 0.604 nan 8.360 nan 0.000 0.460 247 A N 0.914 123.805 122.820 0.119 0.000 1.873 247 A HA -0.128 4.192 4.320 -0.001 0.000 0.215 247 A C 2.267 179.914 177.584 0.105 0.000 1.186 247 A CA 1.320 53.412 52.037 0.093 0.000 0.616 247 A CB -0.555 18.487 19.000 0.069 0.000 0.823 247 A HN 0.258 nan 8.150 nan 0.000 0.442 248 L N -1.758 119.544 121.223 0.132 0.000 2.201 248 L HA -0.095 4.245 4.340 -0.001 0.000 0.212 248 L C 2.231 179.227 176.870 0.210 0.000 1.105 248 L CA 2.021 56.948 54.840 0.146 0.000 0.775 248 L CB -0.611 41.536 42.059 0.146 0.000 0.913 248 L HN 0.502 nan 8.230 nan 0.000 0.440 249 Y N 0.255 120.625 120.300 0.117 0.000 2.220 249 Y HA -0.124 4.426 4.550 -0.001 0.000 0.291 249 Y C 2.187 178.167 175.900 0.133 0.000 1.129 249 Y CA 1.950 60.138 58.100 0.146 0.000 1.161 249 Y CB -0.533 37.996 38.460 0.115 0.000 0.997 249 Y HN 0.336 nan 8.280 nan 0.000 0.522 250 N N -0.164 118.480 118.700 -0.093 0.000 2.396 250 N HA -0.103 4.636 4.740 -0.001 0.000 0.180 250 N C 1.909 177.353 175.510 -0.109 0.000 1.028 250 N CA 0.805 53.738 53.050 -0.196 0.000 0.893 250 N CB -0.163 38.291 38.487 -0.054 0.000 0.967 250 N HN 0.324 nan 8.380 nan 0.000 0.440 251 R N 0.076 120.561 120.500 -0.026 0.000 2.161 251 R HA 0.043 4.383 4.340 -0.001 0.000 0.213 251 R C 1.074 177.373 176.300 -0.002 0.000 1.055 251 R CA 0.668 56.766 56.100 -0.003 0.000 0.996 251 R CB 0.020 30.337 30.300 0.027 0.000 0.901 251 R HN 0.102 nan 8.270 nan 0.000 0.456 252 L N 0.763 122.002 121.223 0.027 0.000 2.240 252 L HA -0.012 4.327 4.340 -0.001 0.000 0.211 252 L C 1.920 178.798 176.870 0.015 0.000 1.106 252 L CA 0.950 55.823 54.840 0.054 0.000 0.793 252 L CB -0.425 41.769 42.059 0.225 0.000 0.927 252 L HN 0.215 nan 8.230 nan 0.000 0.446 253 L N -0.562 120.613 121.223 -0.080 0.000 2.313 253 L HA -0.105 4.234 4.340 -0.001 0.000 0.214 253 L C 2.412 179.243 176.870 -0.065 0.000 1.119 253 L CA 1.396 56.166 54.840 -0.117 0.000 0.809 253 L CB -0.585 41.266 42.059 -0.347 0.000 0.933 253 L HN 0.237 nan 8.230 nan 0.000 0.449 254 K N -0.190 120.177 120.400 -0.056 0.000 2.098 254 K HA -0.089 4.230 4.320 -0.001 0.000 0.203 254 K C 1.487 178.077 176.600 -0.017 0.000 1.051 254 K CA 1.186 57.455 56.287 -0.031 0.000 0.957 254 K CB 0.012 32.497 32.500 -0.026 0.000 0.738 254 K HN 0.391 nan 8.250 nan 0.000 0.447 255 E N 0.794 120.984 120.200 -0.016 0.000 2.418 255 E HA -0.058 4.291 4.350 -0.001 0.000 0.197 255 E C 0.131 176.721 176.600 -0.016 0.000 1.026 255 E CA 0.081 56.474 56.400 -0.012 0.000 0.862 255 E CB -0.107 29.587 29.700 -0.011 0.000 0.799 255 E HN 0.389 nan 8.360 nan 0.000 0.518 256 N N 0.289 118.977 118.700 -0.020 0.000 2.937 256 N HA -0.171 4.568 4.740 -0.001 0.000 0.248 256 N C -0.277 175.204 175.510 -0.048 0.000 1.069 256 N CA -0.007 53.034 53.050 -0.015 0.000 0.822 256 N CB -0.736 37.749 38.487 -0.003 0.000 1.122 256 N HN 0.113 nan 8.380 nan 0.000 0.554 257 M N 1.832 121.364 119.600 -0.113 0.000 2.240 257 M HA -0.063 4.417 4.480 -0.001 0.000 0.346 257 M C 0.097 176.179 176.300 -0.363 0.000 1.236 257 M CA 0.753 55.899 55.300 -0.257 0.000 0.986 257 M CB 0.067 32.421 32.600 -0.409 0.000 1.786 257 M HN 0.214 nan 8.290 nan 0.000 0.457 258 H N 4.432 123.280 119.070 -0.369 0.000 2.562 258 H HA 0.431 4.987 4.556 -0.001 0.000 0.314 258 H C -1.622 173.471 175.328 -0.391 0.000 1.079 258 H CA -0.204 55.677 56.048 -0.279 0.000 1.349 258 H CB 0.280 29.938 29.762 -0.172 0.000 1.432 258 H HN 0.589 nan 8.280 nan 0.000 0.479 259 F N 3.495 123.073 119.950 -0.621 0.000 2.332 259 F HA 0.195 4.721 4.527 -0.001 0.000 0.368 259 F C 0.345 175.920 175.800 -0.376 0.000 1.110 259 F CA -0.748 57.012 58.000 -0.401 0.000 1.087 259 F CB 0.901 39.639 39.000 -0.437 0.000 1.235 259 F HN 0.568 nan 8.300 nan 0.000 0.470 260 E N 3.016 123.173 120.200 -0.072 0.000 2.081 260 E HA 0.191 4.541 4.350 -0.001 0.000 0.270 260 E C -0.453 176.092 176.600 -0.091 0.000 1.180 260 E CA -0.235 56.166 56.400 0.003 0.000 0.926 260 E CB 0.575 30.348 29.700 0.121 0.000 1.035 260 E HN 0.275 nan 8.360 nan 0.000 0.418 261 V N 3.082 123.028 119.914 0.053 0.000 2.644 261 V HA 0.188 4.307 4.120 -0.001 0.000 0.295 261 V C -0.035 176.079 176.094 0.034 0.000 1.053 261 V CA -0.671 61.697 62.300 0.113 0.000 0.987 261 V CB 1.486 33.452 31.823 0.238 0.000 1.006 261 V HN 0.800 nan 8.190 nan 0.000 0.472 262 C N 5.694 125.074 119.300 0.134 0.000 2.801 262 C HA 0.356 4.815 4.460 -0.001 0.000 0.296 262 C C -1.536 173.540 174.990 0.145 0.000 1.054 262 C CA -0.766 58.321 59.018 0.116 0.000 1.442 262 C CB 0.926 28.743 27.740 0.129 0.000 1.860 262 C HN 0.661 nan 8.230 nan 0.000 0.459 263 P HA -0.108 nan 4.420 nan 0.000 0.212 263 P C 1.863 179.221 177.300 0.096 0.000 1.180 263 P CA 1.121 64.157 63.100 -0.106 0.000 0.902 263 P CB -0.008 31.487 31.700 -0.342 0.000 0.778 264 W N 0.947 122.200 121.300 -0.077 0.000 2.325 264 W HA -0.220 4.439 4.660 -0.002 0.000 0.299 264 W C 2.294 178.714 176.519 -0.164 0.000 1.215 264 W CA 1.886 59.212 57.345 -0.031 0.000 1.244 264 W CB -0.466 28.988 29.460 -0.010 0.000 1.140 264 W HN 0.010 nan 8.180 nan 0.000 0.523 265 S N 0.435 115.964 115.700 -0.286 0.000 2.402 265 S HA -0.198 4.272 4.470 -0.001 0.000 0.229 265 S C 2.003 176.306 174.600 -0.494 0.000 1.021 265 S CA 2.078 59.781 58.200 -0.829 0.000 0.974 265 S CB -0.727 62.303 63.200 -0.284 0.000 0.800 265 S HN 0.335 nan 8.310 nan 0.000 0.484 266 S N -0.210 115.418 115.700 -0.120 0.000 2.423 266 S HA -0.087 4.382 4.470 -0.001 0.000 0.231 266 S C 1.715 176.288 174.600 -0.046 0.000 1.014 266 S CA 0.831 59.000 58.200 -0.053 0.000 0.965 266 S CB -0.860 62.254 63.200 -0.145 0.000 0.785 266 S HN 0.768 nan 8.310 nan 0.000 0.495 267 Y N 1.630 121.837 120.300 -0.156 0.000 2.286 267 Y HA 0.254 4.803 4.550 -0.002 0.000 0.293 267 Y C 1.808 177.477 175.900 -0.386 0.000 1.124 267 Y CA 0.578 58.589 58.100 -0.149 0.000 1.178 267 Y CB -0.367 38.050 38.460 -0.073 0.000 1.010 267 Y HN 0.175 nan 8.280 nan 0.000 0.536 268 L N 0.334 121.071 121.223 -0.810 0.000 2.313 268 L HA -0.046 4.293 4.340 -0.001 0.000 0.214 268 L C 2.425 179.023 176.870 -0.453 0.000 1.119 268 L CA 2.114 56.480 54.840 -0.791 0.000 0.809 268 L CB -1.368 40.203 42.059 -0.813 0.000 0.933 268 L HN 0.552 nan 8.230 nan 0.000 0.449 269 T N -5.057 109.252 114.554 -0.408 0.000 3.065 269 T HA 0.294 4.643 4.350 -0.001 0.000 0.252 269 T C 1.450 176.050 174.700 -0.166 0.000 1.099 269 T CA 0.567 62.526 62.100 -0.235 0.000 1.063 269 T CB 0.311 69.013 68.868 -0.277 0.000 0.948 269 T HN 0.351 nan 8.240 nan 0.000 0.506 270 G N 0.705 109.374 108.800 -0.218 0.000 2.159 270 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.227 270 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.227 270 G C 1.002 175.854 174.900 -0.080 0.000 0.986 270 G CA 0.003 45.003 45.100 -0.166 0.000 0.651 270 G HN 1.053 nan 8.290 nan 0.000 0.523 271 A N -1.215 121.579 122.820 -0.044 0.000 2.168 271 A HA 0.408 4.727 4.320 -0.001 0.000 0.215 271 A C 0.761 178.375 177.584 0.049 0.000 1.152 271 A CA 1.596 53.677 52.037 0.073 0.000 0.716 271 A CB -0.152 18.916 19.000 0.114 0.000 0.794 271 A HN 1.389 nan 8.150 nan 0.000 0.465 272 W N 0.662 121.807 121.300 -0.259 0.000 2.587 272 W HA 0.498 5.157 4.660 -0.002 0.000 0.324 272 W C -1.425 174.963 176.519 -0.219 0.000 1.008 272 W CA -1.840 55.278 57.345 -0.379 0.000 1.265 272 W CB 0.788 29.846 29.460 -0.670 0.000 1.328 272 W HN 0.043 nan 8.180 nan 0.000 0.432 273 D N 7.554 127.574 120.400 -0.634 0.000 2.417 273 D HA 0.128 4.768 4.640 -0.001 0.000 0.250 273 D C -1.410 174.178 176.300 -1.187 0.000 1.166 273 D CA -1.702 51.901 54.000 -0.660 0.000 0.881 273 D CB 1.933 42.529 40.800 -0.340 0.000 1.164 273 D HN 0.195 nan 8.370 nan 0.000 0.467 274 P HA -0.013 nan 4.420 nan 0.000 0.242 274 P C 0.452 177.452 177.300 -0.501 0.000 1.197 274 P CA 0.795 63.241 63.100 -1.091 0.000 0.765 274 P CB 0.277 31.631 31.700 -0.577 0.000 0.936 275 K N -0.880 119.309 120.400 -0.353 0.000 2.323 275 K HA 0.050 4.370 4.320 -0.001 0.000 0.197 275 K C 1.225 177.771 176.600 -0.090 0.000 1.043 275 K CA 0.592 56.779 56.287 -0.166 0.000 0.997 275 K CB -0.071 32.349 32.500 -0.134 0.000 0.807 275 K HN 0.235 nan 8.250 nan 0.000 0.497 276 T N -1.516 112.978 114.554 -0.100 0.000 2.927 276 T HA 0.196 4.545 4.350 -0.001 0.000 0.281 276 T C 0.315 175.142 174.700 0.212 0.000 0.998 276 T CA -0.717 61.397 62.100 0.023 0.000 1.019 276 T CB 1.671 70.537 68.868 -0.003 0.000 1.061 276 T HN -0.238 nan 8.240 nan 0.000 0.518 277 T N 2.312 116.949 114.554 0.138 0.000 2.851 277 T HA 0.139 4.488 4.350 -0.001 0.000 0.298 277 T C 0.116 174.856 174.700 0.068 0.000 0.977 277 T CA -0.128 62.047 62.100 0.124 0.000 1.126 277 T CB -0.208 68.668 68.868 0.014 0.000 0.916 277 T HN 0.639 nan 8.240 nan 0.000 0.529 278 H N 2.551 121.473 119.070 -0.247 0.000 3.001 278 H HA 0.122 4.677 4.556 -0.001 0.000 0.334 278 H C 1.297 176.242 175.328 -0.638 0.000 1.034 278 H CA 0.121 55.690 56.048 -0.798 0.000 1.420 278 H CB 0.754 29.754 29.762 -1.270 0.000 1.405 278 H HN 0.792 nan 8.280 nan 0.000 0.593 279 A N 4.944 127.509 122.820 -0.425 0.000 2.024 279 A HA -0.147 4.173 4.320 -0.001 0.000 0.220 279 A C 2.537 179.516 177.584 -1.009 0.000 1.164 279 A CA 1.450 53.065 52.037 -0.703 0.000 0.643 279 A CB -0.597 17.938 19.000 -0.775 0.000 0.806 279 A HN 0.561 nan 8.150 nan 0.000 0.451 280 V N -0.535 118.948 119.914 -0.718 0.000 2.515 280 V HA -0.172 3.947 4.120 -0.001 0.000 0.250 280 V C 2.411 178.300 176.094 -0.343 0.000 1.058 280 V CA 2.024 63.927 62.300 -0.661 0.000 1.064 280 V CB -0.259 31.148 31.823 -0.694 0.000 0.675 280 V HN 0.356 nan 8.190 nan 0.000 0.461 281 V N 0.410 120.158 119.914 -0.277 0.000 2.332 281 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 281 V C 2.564 178.605 176.094 -0.088 0.000 1.055 281 V CA 2.570 64.828 62.300 -0.070 0.000 1.038 281 V CB -0.781 30.994 31.823 -0.080 0.000 0.651 281 V HN 0.628 nan 8.190 nan 0.000 0.450 282 R N -0.769 119.610 120.500 -0.202 0.000 2.189 282 R HA -0.070 4.269 4.340 -0.001 0.000 0.218 282 R C 1.948 178.297 176.300 0.081 0.000 1.074 282 R CA 1.359 57.396 56.100 -0.106 0.000 0.991 282 R CB -0.237 29.932 30.300 -0.218 0.000 0.883 282 R HN 0.379 nan 8.270 nan 0.000 0.457 283 F N 1.031 120.888 119.950 -0.155 0.000 2.259 283 F HA 0.065 4.591 4.527 -0.001 0.000 0.298 283 F C 2.111 177.912 175.800 0.003 0.000 1.088 283 F CA 0.863 58.779 58.000 -0.140 0.000 1.358 283 F CB -0.547 38.140 39.000 -0.521 0.000 1.040 283 F HN 0.079 nan 8.300 nan 0.000 0.505 284 K N 0.257 120.749 120.400 0.153 0.000 2.116 284 K HA -0.116 4.204 4.320 -0.001 0.000 0.203 284 K C 1.649 178.267 176.600 0.031 0.000 1.052 284 K CA 1.138 57.490 56.287 0.108 0.000 0.952 284 K CB -0.043 32.344 32.500 -0.189 0.000 0.729 284 K HN 0.064 nan 8.250 nan 0.000 0.446 285 N N 1.554 120.270 118.700 0.027 0.000 2.244 285 N HA -0.107 4.633 4.740 -0.001 0.000 0.183 285 N C 0.635 176.180 175.510 0.058 0.000 1.016 285 N CA 1.104 54.164 53.050 0.017 0.000 0.866 285 N CB -0.117 38.379 38.487 0.014 0.000 0.980 285 N HN 0.229 nan 8.380 nan 0.000 0.430 286 D N 0.695 121.167 120.400 0.120 0.000 2.340 286 D HA 0.026 4.665 4.640 -0.001 0.000 0.220 286 D C -0.095 176.271 176.300 0.110 0.000 1.039 286 D CA 0.179 54.255 54.000 0.127 0.000 0.866 286 D CB 0.150 41.074 40.800 0.206 0.000 0.913 286 D HN -0.091 nan 8.370 nan 0.000 0.523 287 K N -0.040 120.429 120.400 0.115 0.000 3.419 287 K HA -0.165 4.154 4.320 -0.001 0.000 0.272 287 K C -0.260 176.418 176.600 0.131 0.000 0.973 287 K CA 0.379 56.727 56.287 0.102 0.000 0.749 287 K CB -2.134 30.395 32.500 0.049 0.000 1.403 287 K HN 0.247 nan 8.250 nan 0.000 0.456 288 A N 0.920 123.877 122.820 0.228 0.000 2.279 288 A HA 0.386 4.705 4.320 -0.001 0.000 0.303 288 A C 0.442 178.176 177.584 0.251 0.000 1.108 288 A CA -0.491 51.672 52.037 0.211 0.000 0.830 288 A CB 0.499 19.595 19.000 0.160 0.000 1.106 288 A HN 0.461 nan 8.150 nan 0.000 0.493 289 N N 0.724 119.522 118.700 0.163 0.000 2.399 289 N HA 0.400 5.139 4.740 -0.001 0.000 0.259 289 N C -1.332 174.242 175.510 0.106 0.000 1.160 289 N CA 0.073 53.200 53.050 0.129 0.000 0.946 289 N CB 0.110 38.667 38.487 0.117 0.000 1.156 289 N HN 0.597 nan 8.380 nan 0.000 0.489 290 Y N 0.524 120.804 120.300 -0.033 0.000 2.592 290 Y HA 0.473 5.022 4.550 -0.001 0.000 0.334 290 Y C -1.326 174.608 175.900 0.058 0.000 1.136 290 Y CA -1.248 56.731 58.100 -0.202 0.000 1.042 290 Y CB 0.503 38.914 38.460 -0.081 0.000 1.325 290 Y HN 0.264 nan 8.280 nan 0.000 0.457 291 S N 2.491 118.305 115.700 0.191 0.000 2.638 291 S HA 0.788 5.258 4.470 -0.001 0.000 0.302 291 S C -1.698 173.038 174.600 0.227 0.000 1.096 291 S CA -0.819 57.506 58.200 0.209 0.000 0.953 291 S CB 2.004 65.383 63.200 0.299 0.000 1.107 291 S HN 0.681 nan 8.310 nan 0.000 0.503 292 L N 2.314 123.610 121.223 0.122 0.000 2.307 292 L HA 0.624 4.963 4.340 -0.001 0.000 0.282 292 L C -0.241 176.663 176.870 0.057 0.000 1.051 292 L CA -0.033 54.812 54.840 0.007 0.000 0.804 292 L CB 0.840 42.707 42.059 -0.320 0.000 1.197 292 L HN 0.931 nan 8.230 nan 0.000 0.431 293 N N 0.360 119.096 118.700 0.060 0.000 3.102 293 N HA 0.519 5.259 4.740 -0.001 0.000 0.299 293 N C 0.086 175.697 175.510 0.168 0.000 1.482 293 N CA -0.597 52.534 53.050 0.135 0.000 0.785 293 N CB 1.363 39.944 38.487 0.157 0.000 1.680 293 N HN 0.433 nan 8.380 nan 0.000 0.594 294 T N -1.234 113.471 114.554 0.251 0.000 2.969 294 T HA 0.107 4.456 4.350 -0.001 0.000 0.250 294 T C 0.189 175.161 174.700 0.454 0.000 1.021 294 T CA 0.245 62.536 62.100 0.319 0.000 1.003 294 T CB -0.285 68.757 68.868 0.289 0.000 1.040 294 T HN 0.636 nan 8.240 nan 0.000 0.492 295 D N 1.277 121.974 120.400 0.494 0.000 4.495 295 D HA -0.156 4.483 4.640 -0.001 0.000 0.232 295 D C -0.187 176.561 176.300 0.748 0.000 0.952 295 D CA 2.159 56.587 54.000 0.715 0.000 2.071 295 D CB -0.910 40.298 40.800 0.680 0.000 1.145 295 D HN 0.477 nan 8.370 nan 0.000 0.411 296 D N -0.558 120.212 120.400 0.617 0.000 2.968 296 D HA 0.165 4.805 4.640 -0.001 0.000 0.301 296 D C -1.941 174.465 176.300 0.177 0.000 1.226 296 D CA -0.650 53.539 54.000 0.314 0.000 0.746 296 D CB 1.564 42.392 40.800 0.047 0.000 1.278 296 D HN 0.219 nan 8.370 nan 0.000 0.544 297 P HA -0.219 nan 4.420 nan 0.000 0.218 297 P C 1.840 179.232 177.300 0.154 0.000 1.154 297 P CA 0.588 63.853 63.100 0.274 0.000 0.872 297 P CB 0.463 32.299 31.700 0.226 0.000 0.790 298 L N -0.792 120.471 121.223 0.066 0.000 2.043 298 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 298 L C 2.357 179.199 176.870 -0.048 0.000 1.075 298 L CA 1.899 56.726 54.840 -0.022 0.000 0.752 298 L CB -1.189 40.799 42.059 -0.118 0.000 0.891 298 L HN -0.127 nan 8.230 nan 0.000 0.432 299 I N -1.801 118.687 120.570 -0.136 0.000 2.584 299 I HA -0.144 4.025 4.170 -0.001 0.000 0.255 299 I C 1.166 177.276 176.117 -0.012 0.000 1.145 299 I CA 0.466 61.670 61.300 -0.160 0.000 1.462 299 I CB -0.168 37.637 38.000 -0.324 0.000 1.102 299 I HN 0.125 nan 8.210 nan 0.000 0.433 300 F N 1.456 121.564 119.950 0.262 0.000 2.732 300 F HA 0.187 4.713 4.527 -0.001 0.000 0.303 300 F C 0.796 176.842 175.800 0.409 0.000 1.110 300 F CA -0.651 57.548 58.000 0.331 0.000 1.355 300 F CB -0.937 38.288 39.000 0.376 0.000 1.081 300 F HN -0.106 nan 8.300 nan 0.000 0.565 301 K N 1.424 122.044 120.400 0.366 0.000 3.451 301 K HA -0.191 4.129 4.320 -0.001 0.000 0.273 301 K C 0.239 176.992 176.600 0.256 0.000 0.944 301 K CA 0.730 57.172 56.287 0.259 0.000 0.734 301 K CB -1.682 30.963 32.500 0.243 0.000 1.437 301 K HN 0.493 nan 8.250 nan 0.000 0.454 302 S N -1.798 114.051 115.700 0.249 0.000 2.840 302 S HA 0.732 5.202 4.470 -0.001 0.000 0.307 302 S C -0.425 174.243 174.600 0.113 0.000 1.180 302 S CA -0.612 57.681 58.200 0.153 0.000 0.846 302 S CB 3.054 66.395 63.200 0.236 0.000 1.233 302 S HN 0.129 nan 8.310 nan 0.000 0.548 303 T N 0.203 114.800 114.554 0.071 0.000 2.885 303 T HA 0.388 4.737 4.350 -0.001 0.000 0.322 303 T C 0.368 175.111 174.700 0.073 0.000 1.387 303 T CA -0.507 61.628 62.100 0.058 0.000 1.041 303 T CB 1.292 70.165 68.868 0.009 0.000 1.287 303 T HN 0.595 nan 8.240 nan 0.000 0.491 304 L N 2.803 124.081 121.223 0.091 0.000 2.123 304 L HA -0.114 4.226 4.340 -0.001 0.000 0.217 304 L C 1.971 178.957 176.870 0.193 0.000 1.081 304 L CA 2.425 57.357 54.840 0.154 0.000 0.772 304 L CB -0.677 41.464 42.059 0.137 0.000 0.890 304 L HN 0.875 nan 8.230 nan 0.000 0.437 305 D N -2.006 118.442 120.400 0.080 0.000 2.123 305 D HA -0.179 4.461 4.640 -0.001 0.000 0.196 305 D C 1.977 178.299 176.300 0.036 0.000 0.992 305 D CA 1.614 55.649 54.000 0.058 0.000 0.833 305 D CB 0.073 40.862 40.800 -0.019 0.000 0.954 305 D HN 0.389 nan 8.370 nan 0.000 0.455 306 T N 0.348 114.882 114.554 -0.034 0.000 2.624 306 T HA -0.211 4.139 4.350 -0.001 0.000 0.268 306 T C 1.391 176.015 174.700 -0.128 0.000 1.041 306 T CA 1.702 63.709 62.100 -0.155 0.000 1.159 306 T CB -0.473 68.230 68.868 -0.275 0.000 0.863 306 T HN 0.306 nan 8.240 nan 0.000 0.434 307 D N -0.215 120.155 120.400 -0.051 0.000 2.144 307 D HA -0.087 4.553 4.640 -0.001 0.000 0.199 307 D C 1.921 178.092 176.300 -0.215 0.000 0.984 307 D CA 1.143 55.078 54.000 -0.109 0.000 0.834 307 D CB -0.196 40.544 40.800 -0.100 0.000 0.955 307 D HN 0.467 nan 8.370 nan 0.000 0.465 308 Y N 1.415 121.615 120.300 -0.167 0.000 2.293 308 Y HA -0.101 4.448 4.550 -0.001 0.000 0.291 308 Y C 2.696 178.542 175.900 -0.090 0.000 1.137 308 Y CA 0.785 58.734 58.100 -0.252 0.000 1.202 308 Y CB 0.028 38.249 38.460 -0.398 0.000 0.990 308 Y HN -0.079 nan 8.280 nan 0.000 0.537 309 Q N -0.610 119.218 119.800 0.046 0.000 2.187 309 Q HA -0.165 4.174 4.340 -0.001 0.000 0.199 309 Q C 2.346 178.329 176.000 -0.029 0.000 0.957 309 Q CA 1.057 56.876 55.803 0.027 0.000 0.857 309 Q CB -0.292 28.429 28.738 -0.028 0.000 0.929 309 Q HN 0.556 nan 8.270 nan 0.000 0.453 310 M N 0.931 120.471 119.600 -0.100 0.000 2.229 310 M HA -0.135 4.344 4.480 -0.001 0.000 0.264 310 M C 1.874 178.069 176.300 -0.175 0.000 1.063 310 M CA 1.753 56.977 55.300 -0.127 0.000 1.114 310 M CB -0.017 32.510 32.600 -0.122 0.000 1.387 310 M HN 0.240 nan 8.290 nan 0.000 0.420 311 T N -2.212 112.199 114.554 -0.239 0.000 3.014 311 T HA -0.056 4.293 4.350 -0.001 0.000 0.263 311 T C 1.745 176.381 174.700 -0.107 0.000 1.078 311 T CA 0.940 62.782 62.100 -0.430 0.000 1.135 311 T CB -0.179 68.160 68.868 -0.882 0.000 0.895 311 T HN 0.410 nan 8.240 nan 0.000 0.480 312 K N 1.074 121.543 120.400 0.115 0.000 1.973 312 K HA -0.071 4.249 4.320 -0.001 0.000 0.210 312 K C 2.318 178.965 176.600 0.079 0.000 1.045 312 K CA 1.077 57.472 56.287 0.180 0.000 0.937 312 K CB -0.080 32.581 32.500 0.270 0.000 0.721 312 K HN 0.043 nan 8.250 nan 0.000 0.438 313 K N 1.294 121.721 120.400 0.044 0.000 1.987 313 K HA -0.093 4.226 4.320 -0.001 0.000 0.216 313 K C 0.083 176.687 176.600 0.008 0.000 1.051 313 K CA 1.804 58.102 56.287 0.019 0.000 0.942 313 K CB -0.340 32.160 32.500 0.000 0.000 0.722 313 K HN 0.390 nan 8.250 nan 0.000 0.444 314 D N -0.875 119.515 120.400 -0.017 0.000 2.193 314 D HA 0.234 4.873 4.640 -0.001 0.000 0.249 314 D C 0.640 176.915 176.300 -0.041 0.000 1.034 314 D CA -0.158 53.831 54.000 -0.018 0.000 0.902 314 D CB 1.604 42.395 40.800 -0.014 0.000 1.182 314 D HN 0.113 nan 8.370 nan 0.000 0.436 315 M N -0.276 119.321 119.600 -0.005 0.000 2.983 315 M HA -0.174 4.305 4.480 -0.001 0.000 0.203 315 M C 0.852 177.255 176.300 0.171 0.000 0.601 315 M CA 0.934 56.256 55.300 0.036 0.000 0.778 315 M CB -1.493 31.044 32.600 -0.106 0.000 2.782 315 M HN 0.775 nan 8.290 nan 0.000 0.290 316 G N 1.484 110.358 108.800 0.123 0.000 2.363 316 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.286 316 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.286 316 G C -0.568 174.434 174.900 0.169 0.000 0.975 316 G CA 0.187 45.352 45.100 0.108 0.000 1.309 316 G HN 0.352 nan 8.290 nan 0.000 0.491 317 F N 1.017 120.877 119.950 -0.150 0.000 2.404 317 F HA 0.669 5.196 4.527 -0.001 0.000 0.339 317 F C 1.306 176.813 175.800 -0.489 0.000 1.105 317 F CA -0.281 57.537 58.000 -0.304 0.000 1.087 317 F CB 1.789 40.621 39.000 -0.279 0.000 1.143 317 F HN 0.395 nan 8.300 nan 0.000 0.491 318 T N -1.218 113.042 114.554 -0.491 0.000 2.937 318 T HA 0.280 4.629 4.350 -0.001 0.000 0.283 318 T C 0.955 175.256 174.700 -0.667 0.000 1.012 318 T CA -0.679 61.156 62.100 -0.442 0.000 0.997 318 T CB 1.404 70.112 68.868 -0.266 0.000 1.136 318 T HN 0.703 nan 8.240 nan 0.000 0.551 319 E N 0.250 120.258 120.200 -0.320 0.000 2.153 319 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 319 E C 1.666 178.154 176.600 -0.187 0.000 0.988 319 E CA 1.331 57.646 56.400 -0.142 0.000 0.811 319 E CB -0.075 29.684 29.700 0.099 0.000 0.746 319 E HN 0.799 nan 8.360 nan 0.000 0.466 320 E N 0.417 120.504 120.200 -0.189 0.000 2.077 320 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 320 E C 2.029 178.508 176.600 -0.202 0.000 0.989 320 E CA 1.224 57.532 56.400 -0.153 0.000 0.800 320 E CB -0.138 29.489 29.700 -0.122 0.000 0.746 320 E HN 0.154 nan 8.360 nan 0.000 0.452 321 E N 0.514 120.530 120.200 -0.307 0.000 2.153 321 E HA -0.157 4.193 4.350 -0.001 0.000 0.194 321 E C 1.503 177.996 176.600 -0.180 0.000 0.988 321 E CA 0.906 57.122 56.400 -0.308 0.000 0.811 321 E CB -0.117 29.270 29.700 -0.521 0.000 0.746 321 E HN 0.163 nan 8.360 nan 0.000 0.466 322 F N 0.795 120.558 119.950 -0.313 0.000 2.206 322 F HA 0.038 4.564 4.527 -0.001 0.000 0.298 322 F C 1.976 177.416 175.800 -0.599 0.000 1.090 322 F CA 1.057 58.716 58.000 -0.567 0.000 1.323 322 F CB -0.497 37.742 39.000 -1.269 0.000 1.028 322 F HN 0.035 nan 8.300 nan 0.000 0.492 323 K N -0.367 119.850 120.400 -0.306 0.000 2.217 323 K HA -0.091 4.228 4.320 -0.001 0.000 0.202 323 K C 2.256 178.875 176.600 0.031 0.000 1.051 323 K CA 0.614 56.799 56.287 -0.171 0.000 0.952 323 K CB -0.042 32.277 32.500 -0.303 0.000 0.736 323 K HN 0.063 nan 8.250 nan 0.000 0.453 324 R N 1.593 122.063 120.500 -0.049 0.000 2.075 324 R HA -0.027 4.313 4.340 -0.001 0.000 0.226 324 R C 2.262 178.523 176.300 -0.065 0.000 1.114 324 R CA 0.961 57.036 56.100 -0.042 0.000 0.972 324 R CB -0.123 30.131 30.300 -0.076 0.000 0.869 324 R HN 0.253 nan 8.270 nan 0.000 0.437 325 L N -1.026 120.128 121.223 -0.116 0.000 2.291 325 L HA 0.000 4.340 4.340 -0.001 0.000 0.214 325 L C 0.717 177.560 176.870 -0.045 0.000 1.120 325 L CA 1.726 56.439 54.840 -0.212 0.000 0.799 325 L CB -0.674 41.124 42.059 -0.434 0.000 0.925 325 L HN 0.104 nan 8.230 nan 0.000 0.446 326 N N 0.816 119.553 118.700 0.062 0.000 2.250 326 N HA 0.038 4.777 4.740 -0.001 0.000 0.181 326 N C 1.960 177.526 175.510 0.093 0.000 1.017 326 N CA 1.112 54.250 53.050 0.148 0.000 0.866 326 N CB -0.062 38.616 38.487 0.318 0.000 0.985 326 N HN 0.268 nan 8.380 nan 0.000 0.429 327 I N 0.905 121.519 120.570 0.074 0.000 2.361 327 I HA -0.225 3.944 4.170 -0.001 0.000 0.251 327 I C 1.497 177.610 176.117 -0.006 0.000 1.133 327 I CA 0.803 62.102 61.300 -0.000 0.000 1.413 327 I CB -0.113 37.868 38.000 -0.033 0.000 1.073 327 I HN 0.212 nan 8.210 nan 0.000 0.424 328 N N 0.873 119.568 118.700 -0.008 0.000 2.188 328 N HA -0.087 4.653 4.740 -0.001 0.000 0.184 328 N C 1.900 177.367 175.510 -0.072 0.000 1.018 328 N CA 1.468 54.507 53.050 -0.018 0.000 0.858 328 N CB -0.351 38.136 38.487 0.001 0.000 0.989 328 N HN 0.333 nan 8.380 nan 0.000 0.426 329 A N 0.774 123.572 122.820 -0.036 0.000 1.972 329 A HA 0.066 4.385 4.320 -0.001 0.000 0.219 329 A C 2.292 179.795 177.584 -0.135 0.000 1.169 329 A CA 1.721 53.693 52.037 -0.108 0.000 0.635 329 A CB -0.602 18.423 19.000 0.042 0.000 0.810 329 A HN 0.303 nan 8.150 nan 0.000 0.446 330 A N -0.044 122.732 122.820 -0.073 0.000 1.929 330 A HA -0.088 4.231 4.320 -0.001 0.000 0.216 330 A C 2.080 179.578 177.584 -0.143 0.000 1.176 330 A CA 1.526 53.504 52.037 -0.098 0.000 0.628 330 A CB -0.315 18.640 19.000 -0.075 0.000 0.816 330 A HN 0.532 nan 8.150 nan 0.000 0.444 331 K N -0.054 120.274 120.400 -0.120 0.000 2.097 331 K HA -0.015 4.305 4.320 -0.001 0.000 0.205 331 K C 1.870 178.360 176.600 -0.184 0.000 1.050 331 K CA 1.434 57.652 56.287 -0.114 0.000 0.938 331 K CB -0.146 32.314 32.500 -0.067 0.000 0.718 331 K HN 0.359 nan 8.250 nan 0.000 0.442 332 S N 1.347 116.873 115.700 -0.291 0.000 2.562 332 S HA -0.024 4.446 4.470 -0.001 0.000 0.221 332 S C 0.802 175.068 174.600 -0.556 0.000 0.975 332 S CA 0.043 57.974 58.200 -0.449 0.000 0.918 332 S CB -0.066 62.651 63.200 -0.805 0.000 0.772 332 S HN 0.395 nan 8.310 nan 0.000 0.531 333 S N 1.055 116.512 115.700 -0.405 0.000 2.572 333 S HA 0.130 4.599 4.470 -0.001 0.000 0.267 333 S C 0.052 174.421 174.600 -0.386 0.000 1.361 333 S CA -0.174 57.813 58.200 -0.356 0.000 1.009 333 S CB -0.077 63.011 63.200 -0.188 0.000 0.888 333 S HN 0.201 nan 8.310 nan 0.000 0.553 334 F N 0.645 120.520 119.950 -0.125 0.000 2.798 334 F HA 0.422 4.948 4.527 -0.001 0.000 0.291 334 F C 0.306 176.046 175.800 -0.100 0.000 1.174 334 F CA -0.954 56.870 58.000 -0.294 0.000 1.392 334 F CB -0.693 38.150 39.000 -0.263 0.000 0.966 334 F HN 0.305 nan 8.300 nan 0.000 0.509 335 L N 1.776 123.016 121.223 0.028 0.000 2.453 335 L HA 0.353 4.692 4.340 -0.001 0.000 0.261 335 L C -1.901 174.995 176.870 0.043 0.000 1.179 335 L CA -2.400 52.441 54.840 0.002 0.000 0.813 335 L CB -0.076 41.867 42.059 -0.193 0.000 1.110 335 L HN -0.104 nan 8.230 nan 0.000 0.466 336 P HA 0.107 nan 4.420 nan 0.000 0.274 336 P C 0.492 177.803 177.300 0.019 0.000 1.237 336 P CA -0.402 62.735 63.100 0.061 0.000 0.793 336 P CB 0.595 32.328 31.700 0.056 0.000 0.977 337 E N 1.626 121.840 120.200 0.024 0.000 2.095 337 E HA -0.271 4.079 4.350 -0.001 0.000 0.212 337 E C 1.514 178.107 176.600 -0.012 0.000 1.044 337 E CA 2.077 58.479 56.400 0.003 0.000 0.857 337 E CB -0.320 29.386 29.700 0.010 0.000 0.764 337 E HN 0.511 nan 8.360 nan 0.000 0.462 338 E N 0.643 120.840 120.200 -0.005 0.000 2.049 338 E HA -0.198 4.151 4.350 -0.001 0.000 0.198 338 E C 2.133 178.719 176.600 -0.023 0.000 1.007 338 E CA 1.626 58.019 56.400 -0.011 0.000 0.809 338 E CB -0.261 29.437 29.700 -0.002 0.000 0.749 338 E HN 0.390 nan 8.360 nan 0.000 0.450 339 E N 0.490 120.673 120.200 -0.028 0.000 2.106 339 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 339 E C 2.022 178.564 176.600 -0.097 0.000 0.984 339 E CA 0.786 57.155 56.400 -0.052 0.000 0.806 339 E CB -0.067 29.605 29.700 -0.047 0.000 0.750 339 E HN 0.144 nan 8.360 nan 0.000 0.458 340 K N 1.515 121.855 120.400 -0.100 0.000 2.097 340 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 340 K C 1.925 178.472 176.600 -0.088 0.000 1.049 340 K CA 1.135 57.344 56.287 -0.129 0.000 0.933 340 K CB 0.142 32.581 32.500 -0.102 0.000 0.717 340 K HN -0.071 nan 8.250 nan 0.000 0.442 341 K N 0.641 121.008 120.400 -0.055 0.000 2.026 341 K HA -0.163 4.157 4.320 -0.001 0.000 0.208 341 K C 2.008 178.586 176.600 -0.035 0.000 1.048 341 K CA 1.835 58.100 56.287 -0.037 0.000 0.929 341 K CB -0.059 32.425 32.500 -0.028 0.000 0.713 341 K HN 0.302 nan 8.250 nan 0.000 0.439 342 E N 1.089 121.265 120.200 -0.041 0.000 2.085 342 E HA -0.192 4.158 4.350 -0.001 0.000 0.194 342 E C 2.109 178.682 176.600 -0.045 0.000 0.994 342 E CA 0.763 57.142 56.400 -0.035 0.000 0.801 342 E CB -0.114 29.566 29.700 -0.033 0.000 0.743 342 E HN 0.229 nan 8.360 nan 0.000 0.453 343 L N 0.783 121.959 121.223 -0.078 0.000 2.042 343 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 343 L C 2.312 179.142 176.870 -0.067 0.000 1.076 343 L CA 1.265 56.048 54.840 -0.095 0.000 0.749 343 L CB -0.142 41.810 42.059 -0.179 0.000 0.893 343 L HN 0.229 nan 8.230 nan 0.000 0.432 344 L N -0.590 120.612 121.223 -0.035 0.000 2.217 344 L HA -0.211 4.128 4.340 -0.001 0.000 0.211 344 L C 2.445 179.383 176.870 0.114 0.000 1.107 344 L CA 0.952 55.818 54.840 0.044 0.000 0.783 344 L CB -0.316 41.787 42.059 0.073 0.000 0.919 344 L HN 0.325 nan 8.230 nan 0.000 0.442 345 E N -0.122 120.103 120.200 0.041 0.000 2.152 345 E HA -0.199 4.150 4.350 -0.001 0.000 0.192 345 E C 2.371 178.988 176.600 0.029 0.000 0.983 345 E CA 0.569 56.992 56.400 0.039 0.000 0.818 345 E CB 0.202 29.902 29.700 0.001 0.000 0.758 345 E HN 0.256 nan 8.360 nan 0.000 0.467 346 R N 0.296 120.787 120.500 -0.016 0.000 2.057 346 R HA -0.066 4.274 4.340 -0.001 0.000 0.229 346 R C 2.500 178.725 176.300 -0.124 0.000 1.136 346 R CA 0.907 56.977 56.100 -0.050 0.000 0.952 346 R CB -0.348 29.918 30.300 -0.056 0.000 0.848 346 R HN 0.251 nan 8.270 nan 0.000 0.430 347 L N -0.541 120.544 121.223 -0.229 0.000 2.042 347 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 347 L C 2.387 178.892 176.870 -0.608 0.000 1.076 347 L CA 1.439 55.924 54.840 -0.591 0.000 0.749 347 L CB -0.700 40.926 42.059 -0.722 0.000 0.893 347 L HN 0.191 nan 8.230 nan 0.000 0.432 348 Y N 0.039 120.187 120.300 -0.254 0.000 2.181 348 Y HA -0.238 4.312 4.550 -0.001 0.000 0.288 348 Y C 2.920 178.799 175.900 -0.035 0.000 1.146 348 Y CA 1.535 59.580 58.100 -0.092 0.000 1.164 348 Y CB -0.302 38.133 38.460 -0.042 0.000 0.982 348 Y HN 0.069 nan 8.280 nan 0.000 0.515 349 R N 0.449 121.004 120.500 0.092 0.000 2.092 349 R HA -0.185 4.154 4.340 -0.001 0.000 0.231 349 R C 1.683 178.011 176.300 0.048 0.000 1.119 349 R CA 1.811 57.949 56.100 0.064 0.000 0.970 349 R CB -0.148 30.170 30.300 0.030 0.000 0.864 349 R HN 0.317 nan 8.270 nan 0.000 0.440 350 E N -1.098 119.100 120.200 -0.004 0.000 2.442 350 E HA -0.073 4.277 4.350 -0.001 0.000 0.195 350 E C 0.590 177.322 176.600 0.220 0.000 1.030 350 E CA 0.320 56.745 56.400 0.042 0.000 0.869 350 E CB 0.295 29.982 29.700 -0.022 0.000 0.857 350 E HN 0.339 nan 8.360 nan 0.000 0.505 351 Y N 0.506 120.806 120.300 0.000 0.000 2.482 351 Y HA 0.159 4.709 4.550 -0.001 0.000 0.270 351 Y C 1.023 176.942 175.900 0.032 0.000 1.152 351 Y CA 0.006 58.108 58.100 0.004 0.000 1.292 351 Y CB -0.044 38.394 38.460 -0.037 0.000 1.070 351 Y HN -0.025 nan 8.280 nan 0.000 0.528 352 Q N 0.000 119.920 119.800 0.199 0.000 2.315 352 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 352 Q CA 0.000 55.886 55.803 0.138 0.000 1.022 352 Q CB 0.000 28.805 28.738 0.111 0.000 1.108 352 Q HN 0.000 nan 8.270 nan 0.000 0.481