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 1h6v_1_D DATA FIRST_RESID 9 DATA SEQUENCE KSYDFDLIII GGGSGGLAAA KEAAKFDKKV MVLDFVTPTP LGTNWGLGGT DATA SEQUENCE cVNVGcIPKK LMHQAALLGQ ALKDSRNYGW KLEDTVKHDW EKMTESVQNH DATA SEQUENCE IGSLNWGYRV ALREKKVVYE NAYGKFIGPH KIMATNNKGK EKVYSAERFL DATA SEQUENCE IATGERPRYL GIPGDKEYCI SSDDLFSLPY CPGKTLVVGA SYVALECAGF DATA SEQUENCE LAGIGLDVTV MVRSILLRGF DQDMANKIGE HMEEHGIKFI RQFVPTKIEQ DATA SEQUENCE IEAGTPGRLK VTAKSTNSEE TIEDEFNTVL LAVGRDSCTR TIGLETVGVK DATA SEQUENCE INEKTGKIPV TDEEQTNVPY IYAIGDILEG KLELTPVAIQ AGRLLAQRLY DATA SEQUENCE GGSTVKCDYD NVPTTVFTPL EYGCCGLSEE KAVEKFGEEN IEVYHSFFWP DATA SEQUENCE LEWTVPSRDN NKCYAKVICN LKDNERVVGF HVLGPNAGEV TQGFAAALKC DATA SEQUENCE GLTKQQLDST IGIHPVCAEI FTTLSVTKRS GGDILQS 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.439 176.600 -0.268 0.000 0.988 9 K CA 0.000 56.134 56.287 -0.254 0.000 0.838 9 K CB 0.000 32.247 32.500 -0.422 0.000 1.064 10 S N 3.100 118.595 115.700 -0.342 0.000 2.475 10 S HA 0.442 4.912 4.470 -0.000 0.000 0.249 10 S C -0.834 173.643 174.600 -0.205 0.000 1.298 10 S CA -0.478 57.611 58.200 -0.184 0.000 1.125 10 S CB -0.206 62.928 63.200 -0.110 0.000 1.054 10 S HN 0.407 nan 8.310 nan 0.000 0.484 11 Y N 1.532 121.861 120.300 0.048 0.000 2.260 11 Y HA 0.253 4.803 4.550 -0.000 0.000 0.339 11 Y C 1.742 177.681 175.900 0.065 0.000 1.317 11 Y CA -0.418 57.739 58.100 0.095 0.000 1.514 11 Y CB 0.448 39.005 38.460 0.161 0.000 1.382 11 Y HN 0.448 nan 8.280 nan 0.000 0.581 12 D N -0.186 120.388 120.400 0.291 0.000 2.194 12 D HA -0.012 4.628 4.640 -0.000 0.000 0.204 12 D C -0.565 175.640 176.300 -0.158 0.000 0.964 12 D CA 1.469 55.521 54.000 0.087 0.000 0.846 12 D CB 0.129 41.095 40.800 0.277 0.000 0.962 12 D HN 0.199 nan 8.370 nan 0.000 0.490 13 F N -0.097 119.932 119.950 0.133 0.000 2.601 13 F HA 0.185 4.712 4.527 -0.000 0.000 0.309 13 F C 0.962 176.783 175.800 0.035 0.000 1.089 13 F CA -1.017 57.005 58.000 0.036 0.000 0.940 13 F CB 1.974 40.938 39.000 -0.060 0.000 1.273 13 F HN -0.397 nan 8.300 nan 0.000 0.450 14 D N 0.888 121.410 120.400 0.203 0.000 2.103 14 D HA -0.016 4.624 4.640 -0.000 0.000 0.199 14 D C -0.026 176.349 176.300 0.125 0.000 0.978 14 D CA 1.637 55.728 54.000 0.152 0.000 0.829 14 D CB 0.389 41.238 40.800 0.081 0.000 0.981 14 D HN 0.194 nan 8.370 nan 0.000 0.464 15 L N 0.383 121.654 121.223 0.081 0.000 2.464 15 L HA 0.420 4.759 4.340 -0.000 0.000 0.266 15 L C -1.466 175.299 176.870 -0.175 0.000 0.965 15 L CA -0.432 54.401 54.840 -0.011 0.000 0.833 15 L CB 2.303 44.406 42.059 0.074 0.000 1.296 15 L HN -0.221 nan 8.230 nan 0.000 0.405 16 I N 5.500 125.840 120.570 -0.383 0.000 2.441 16 I HA 0.457 4.627 4.170 -0.000 0.000 0.295 16 I C -0.720 175.239 176.117 -0.264 0.000 0.994 16 I CA -0.613 60.399 61.300 -0.480 0.000 1.144 16 I CB 1.975 39.538 38.000 -0.727 0.000 1.314 16 I HN 0.527 nan 8.210 nan 0.000 0.445 17 I N 6.959 127.412 120.570 -0.195 0.000 2.382 17 I HA 0.343 4.513 4.170 -0.000 0.000 0.286 17 I C -0.278 175.795 176.117 -0.073 0.000 1.002 17 I CA -0.473 60.781 61.300 -0.076 0.000 1.135 17 I CB 1.555 39.522 38.000 -0.056 0.000 1.288 17 I HN 0.354 nan 8.210 nan 0.000 0.448 18 I N 6.638 127.192 120.570 -0.026 0.000 2.278 18 I HA 0.466 4.636 4.170 -0.000 0.000 0.296 18 I C 0.590 176.685 176.117 -0.036 0.000 1.121 18 I CA -0.029 61.239 61.300 -0.054 0.000 1.267 18 I CB 0.190 38.160 38.000 -0.050 0.000 1.447 18 I HN 0.814 nan 8.210 nan 0.000 0.509 19 G N 3.454 112.233 108.800 -0.035 0.000 3.088 19 G HA2 0.053 4.013 3.960 -0.000 0.000 0.620 19 G HA3 0.053 4.013 3.960 -0.000 0.000 0.620 19 G C -0.046 174.846 174.900 -0.013 0.000 1.375 19 G CA -0.602 44.490 45.100 -0.014 0.000 1.016 19 G HN 0.787 nan 8.290 nan 0.000 0.590 20 G N 0.571 109.366 108.800 -0.008 0.000 3.782 20 G HA2 0.630 4.589 3.960 -0.000 0.000 0.288 20 G HA3 0.630 4.589 3.960 -0.000 0.000 0.288 20 G C 0.889 175.722 174.900 -0.111 0.000 1.300 20 G CA 0.943 46.006 45.100 -0.062 0.000 1.261 20 G HN 1.181 nan 8.290 nan 0.000 0.591 21 G N -0.120 108.635 108.800 -0.075 0.000 2.543 21 G HA2 0.358 4.318 3.960 -0.000 0.000 0.267 21 G HA3 0.358 4.318 3.960 -0.000 0.000 0.267 21 G C 1.228 176.053 174.900 -0.126 0.000 1.406 21 G CA 0.314 45.362 45.100 -0.087 0.000 1.048 21 G HN 0.154 nan 8.290 nan 0.000 0.548 22 S N -0.376 115.268 115.700 -0.093 0.000 2.365 22 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 22 S C 2.422 176.991 174.600 -0.053 0.000 1.039 22 S CA 1.884 60.035 58.200 -0.082 0.000 1.033 22 S CB -0.665 62.512 63.200 -0.038 0.000 0.887 22 S HN 0.767 nan 8.310 nan 0.000 0.447 23 G N 0.834 109.620 108.800 -0.023 0.000 2.404 23 G HA2 0.079 4.038 3.960 -0.000 0.000 0.214 23 G HA3 0.079 4.038 3.960 -0.000 0.000 0.214 23 G C 1.475 176.368 174.900 -0.011 0.000 1.189 23 G CA 0.789 45.887 45.100 -0.003 0.000 0.789 23 G HN 0.558 nan 8.290 nan 0.000 0.533 24 G N 1.158 109.947 108.800 -0.017 0.000 2.514 24 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 24 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 24 G C 1.823 176.700 174.900 -0.038 0.000 1.198 24 G CA 0.908 45.996 45.100 -0.020 0.000 0.780 24 G HN 0.389 nan 8.290 nan 0.000 0.565 25 L N 0.752 121.930 121.223 -0.075 0.000 2.127 25 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 25 L C 3.435 180.282 176.870 -0.037 0.000 1.089 25 L CA 0.913 55.706 54.840 -0.077 0.000 0.757 25 L CB -0.520 41.448 42.059 -0.151 0.000 0.899 25 L HN 0.339 nan 8.230 nan 0.000 0.434 26 A N 0.394 123.194 122.820 -0.033 0.000 1.865 26 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 26 A C 2.576 180.156 177.584 -0.007 0.000 1.191 26 A CA 1.979 54.007 52.037 -0.015 0.000 0.623 26 A CB -0.796 18.195 19.000 -0.014 0.000 0.826 26 A HN 0.401 nan 8.150 nan 0.000 0.444 27 A N -0.334 122.487 122.820 0.001 0.000 1.940 27 A HA 0.133 4.453 4.320 -0.000 0.000 0.219 27 A C 2.506 180.098 177.584 0.014 0.000 1.176 27 A CA 2.263 54.313 52.037 0.020 0.000 0.631 27 A CB -1.023 17.996 19.000 0.032 0.000 0.814 27 A HN 1.094 nan 8.150 nan 0.000 0.446 28 A N -0.010 122.806 122.820 -0.007 0.000 1.858 28 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 28 A C 2.092 179.659 177.584 -0.029 0.000 1.190 28 A CA 1.821 53.847 52.037 -0.019 0.000 0.617 28 A CB -0.510 18.473 19.000 -0.028 0.000 0.827 28 A HN 0.541 nan 8.150 nan 0.000 0.443 29 K N -0.522 119.861 120.400 -0.029 0.000 2.074 29 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 29 K C 2.043 178.598 176.600 -0.074 0.000 1.048 29 K CA 1.539 57.800 56.287 -0.045 0.000 0.926 29 K CB -0.130 32.350 32.500 -0.035 0.000 0.713 29 K HN 0.438 nan 8.250 nan 0.000 0.444 30 E N 0.450 120.616 120.200 -0.056 0.000 2.028 30 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 30 E C 2.176 178.716 176.600 -0.101 0.000 0.984 30 E CA 0.990 57.340 56.400 -0.084 0.000 0.800 30 E CB -0.228 29.472 29.700 -0.000 0.000 0.758 30 E HN 0.273 nan 8.360 nan 0.000 0.448 31 A N 1.741 124.565 122.820 0.007 0.000 1.927 31 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 31 A C 2.399 179.918 177.584 -0.108 0.000 1.185 31 A CA 2.481 54.532 52.037 0.024 0.000 0.639 31 A CB -0.726 18.268 19.000 -0.010 0.000 0.820 31 A HN 0.283 nan 8.150 nan 0.000 0.451 32 A N -0.133 122.615 122.820 -0.119 0.000 2.070 32 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 32 A C 1.928 179.396 177.584 -0.192 0.000 1.159 32 A CA 1.671 53.633 52.037 -0.126 0.000 0.656 32 A CB -0.484 18.465 19.000 -0.086 0.000 0.800 32 A HN 0.665 nan 8.150 nan 0.000 0.453 33 K N -1.230 118.958 120.400 -0.354 0.000 2.280 33 K HA -0.070 4.250 4.320 -0.000 0.000 0.202 33 K C 0.002 176.314 176.600 -0.480 0.000 1.047 33 K CA 0.966 56.954 56.287 -0.498 0.000 0.942 33 K CB -0.188 31.833 32.500 -0.798 0.000 0.739 33 K HN 0.504 nan 8.250 nan 0.000 0.457 34 F N 1.416 121.348 119.950 -0.031 0.000 2.730 34 F HA 0.134 4.660 4.527 -0.000 0.000 0.295 34 F C -0.363 175.407 175.800 -0.050 0.000 1.143 34 F CA -1.610 56.378 58.000 -0.020 0.000 1.367 34 F CB -0.742 38.273 39.000 0.025 0.000 0.970 34 F HN -0.013 nan 8.300 nan 0.000 0.514 35 D N 2.227 122.657 120.400 0.050 0.000 3.301 35 D HA -0.221 4.419 4.640 -0.000 0.000 0.220 35 D C -0.576 175.720 176.300 -0.006 0.000 1.173 35 D CA 0.754 54.764 54.000 0.017 0.000 0.974 35 D CB -0.167 40.653 40.800 0.035 0.000 0.853 35 D HN 0.134 nan 8.370 nan 0.000 0.396 36 K N 2.339 122.703 120.400 -0.060 0.000 2.498 36 K HA 0.327 4.647 4.320 -0.000 0.000 0.254 36 K C -0.179 176.386 176.600 -0.058 0.000 0.933 36 K CA -0.946 55.279 56.287 -0.104 0.000 0.806 36 K CB 1.521 33.832 32.500 -0.316 0.000 1.301 36 K HN 0.140 nan 8.250 nan 0.000 0.432 37 K N 1.732 122.122 120.400 -0.016 0.000 2.378 37 K HA 0.195 4.515 4.320 -0.000 0.000 0.288 37 K C 0.188 176.909 176.600 0.202 0.000 1.057 37 K CA -0.290 56.025 56.287 0.047 0.000 0.971 37 K CB 0.483 32.944 32.500 -0.066 0.000 0.975 37 K HN 0.415 nan 8.250 nan 0.000 0.475 38 V N 0.876 120.924 119.914 0.222 0.000 2.962 38 V HA 0.675 4.795 4.120 -0.000 0.000 0.313 38 V C -0.892 175.228 176.094 0.044 0.000 1.099 38 V CA -1.147 61.240 62.300 0.145 0.000 0.971 38 V CB 2.023 33.839 31.823 -0.011 0.000 1.028 38 V HN 0.847 nan 8.190 nan 0.000 0.430 39 M N 5.001 124.396 119.600 -0.341 0.000 2.393 39 M HA 0.801 5.281 4.480 -0.000 0.000 0.299 39 M C -1.696 174.403 176.300 -0.334 0.000 1.103 39 M CA -0.796 54.212 55.300 -0.486 0.000 0.910 39 M CB 2.109 33.952 32.600 -1.261 0.000 1.659 39 M HN 1.188 nan 8.290 nan 0.000 0.445 40 V N 6.098 125.917 119.914 -0.158 0.000 2.495 40 V HA 0.624 4.744 4.120 -0.000 0.000 0.298 40 V C -1.408 174.677 176.094 -0.016 0.000 1.031 40 V CA -0.594 61.657 62.300 -0.083 0.000 0.871 40 V CB 1.753 33.564 31.823 -0.020 0.000 0.988 40 V HN 0.934 nan 8.190 nan 0.000 0.432 41 L N 4.891 126.081 121.223 -0.055 0.000 2.322 41 L HA 0.733 5.073 4.340 -0.000 0.000 0.279 41 L C -0.749 176.165 176.870 0.073 0.000 1.036 41 L CA -0.363 54.470 54.840 -0.011 0.000 0.807 41 L CB 1.707 43.718 42.059 -0.079 0.000 1.226 41 L HN 0.857 nan 8.230 nan 0.000 0.433 42 D N 1.660 122.169 120.400 0.182 0.000 2.947 42 D HA 0.598 5.238 4.640 -0.000 0.000 0.224 42 D C -1.733 174.707 176.300 0.233 0.000 1.230 42 D CA -0.214 53.895 54.000 0.180 0.000 0.871 42 D CB 2.070 42.979 40.800 0.182 0.000 1.671 42 D HN 0.275 nan 8.370 nan 0.000 0.507 43 F N 3.209 123.181 119.950 0.037 0.000 2.608 43 F HA 0.565 5.091 4.527 -0.000 0.000 0.309 43 F C -1.693 174.123 175.800 0.025 0.000 1.103 43 F CA -0.624 57.408 58.000 0.053 0.000 0.954 43 F CB 1.921 40.993 39.000 0.120 0.000 1.267 43 F HN 0.184 nan 8.300 nan 0.000 0.444 44 V N 4.015 123.710 119.914 -0.364 0.000 2.304 44 V HA 0.284 4.404 4.120 -0.000 0.000 0.278 44 V C -0.304 175.690 176.094 -0.167 0.000 1.018 44 V CA -0.631 61.508 62.300 -0.268 0.000 0.814 44 V CB 1.475 32.893 31.823 -0.675 0.000 1.021 44 V HN 0.830 nan 8.190 nan 0.000 0.440 45 T N 4.901 119.538 114.554 0.139 0.000 2.870 45 T HA 0.361 4.711 4.350 -0.000 0.000 0.300 45 T C -1.940 172.726 174.700 -0.056 0.000 0.989 45 T CA -1.225 60.959 62.100 0.141 0.000 1.139 45 T CB 1.064 70.039 68.868 0.178 0.000 0.920 45 T HN 0.460 nan 8.240 nan 0.000 0.537 46 P HA 0.143 nan 4.420 nan 0.000 0.271 46 P C 0.517 177.815 177.300 -0.004 0.000 1.233 46 P CA -0.343 62.700 63.100 -0.095 0.000 0.789 46 P CB 0.294 31.967 31.700 -0.045 0.000 0.951 47 T N -1.908 112.677 114.554 0.052 0.000 2.788 47 T HA 0.214 4.564 4.350 -0.000 0.000 0.280 47 T C -1.721 173.020 174.700 0.069 0.000 0.984 47 T CA -1.505 60.673 62.100 0.130 0.000 0.972 47 T CB -0.540 68.465 68.868 0.228 0.000 1.039 47 T HN 0.176 nan 8.240 nan 0.000 0.530 48 P HA -0.034 nan 4.420 nan 0.000 0.216 48 P C 1.400 178.707 177.300 0.012 0.000 1.153 48 P CA 0.654 63.735 63.100 -0.031 0.000 0.858 48 P CB -0.004 31.616 31.700 -0.135 0.000 0.789 49 L N -2.092 119.171 121.223 0.067 0.000 2.599 49 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 49 L C 1.281 178.197 176.870 0.077 0.000 1.141 49 L CA 1.460 56.346 54.840 0.078 0.000 0.877 49 L CB -1.576 40.553 42.059 0.117 0.000 1.009 49 L HN 0.231 nan 8.230 nan 0.000 0.447 50 G N 0.592 109.431 108.800 0.066 0.000 2.137 50 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.237 50 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.237 50 G C 0.502 175.438 174.900 0.060 0.000 1.002 50 G CA 0.629 45.758 45.100 0.049 0.000 0.702 50 G HN 0.458 nan 8.290 nan 0.000 0.515 51 T N -1.687 112.932 114.554 0.108 0.000 2.913 51 T HA 0.653 5.003 4.350 -0.000 0.000 0.287 51 T C 0.128 174.858 174.700 0.049 0.000 1.008 51 T CA -0.074 62.114 62.100 0.148 0.000 1.067 51 T CB 1.938 70.962 68.868 0.260 0.000 0.996 51 T HN 0.396 nan 8.240 nan 0.000 0.513 52 N N 0.484 119.204 118.700 0.032 0.000 2.697 52 N HA 0.706 5.446 4.740 -0.000 0.000 0.272 52 N C -1.520 174.009 175.510 0.032 0.000 1.381 52 N CA -0.969 51.914 53.050 -0.279 0.000 0.797 52 N CB 2.213 40.568 38.487 -0.220 0.000 1.523 52 N HN 0.863 nan 8.380 nan 0.000 0.518 53 W N -1.084 120.223 121.300 0.011 0.000 2.874 53 W HA 0.717 5.377 4.660 -0.000 0.000 0.403 53 W C -0.615 175.902 176.519 -0.003 0.000 1.144 53 W CA -1.028 56.327 57.345 0.016 0.000 1.175 53 W CB -0.039 29.442 29.460 0.034 0.000 1.483 53 W HN 0.508 nan 8.180 nan 0.000 0.591 54 G N 0.520 109.493 108.800 0.289 0.000 2.568 54 G HA2 0.531 4.491 3.960 -0.000 0.000 0.293 54 G HA3 0.531 4.491 3.960 -0.000 0.000 0.293 54 G C -0.933 174.062 174.900 0.157 0.000 1.347 54 G CA -1.244 43.952 45.100 0.160 0.000 1.039 54 G HN 0.788 nan 8.290 nan 0.000 0.523 55 L N -0.240 121.029 121.223 0.076 0.000 2.516 55 L HA 0.294 4.633 4.340 -0.000 0.000 0.288 55 L C 1.565 178.404 176.870 -0.052 0.000 1.246 55 L CA 1.963 56.784 54.840 -0.031 0.000 0.844 55 L CB 0.846 42.804 42.059 -0.168 0.000 1.106 55 L HN 1.022 nan 8.230 nan 0.000 0.509 56 G N 1.357 110.045 108.800 -0.186 0.000 2.705 56 G HA2 0.088 4.048 3.960 -0.000 0.000 0.193 56 G HA3 0.088 4.048 3.960 -0.000 0.000 0.193 56 G C 0.435 175.199 174.900 -0.227 0.000 1.015 56 G CA -0.129 44.750 45.100 -0.369 0.000 0.743 56 G HN 1.609 nan 8.290 nan 0.000 0.476 57 G N -1.365 107.413 108.800 -0.037 0.000 2.631 57 G HA2 0.217 4.177 3.960 -0.000 0.000 0.504 57 G HA3 0.217 4.177 3.960 -0.000 0.000 0.504 57 G C 0.658 175.565 174.900 0.013 0.000 1.306 57 G CA 0.594 45.700 45.100 0.011 0.000 0.897 57 G HN 1.128 nan 8.290 nan 0.000 0.520 58 T N -0.465 114.100 114.554 0.018 0.000 2.737 58 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 58 T C 2.500 177.131 174.700 -0.115 0.000 1.038 58 T CA 2.507 64.582 62.100 -0.041 0.000 1.144 58 T CB -0.589 68.293 68.868 0.022 0.000 0.866 58 T HN 1.086 nan 8.240 nan 0.000 0.434 59 c N 1.252 119.806 118.600 -0.076 0.000 2.398 59 c HA -0.086 4.483 4.570 -0.000 0.000 0.276 59 c C 2.776 176.784 174.090 -0.136 0.000 1.222 59 c CA 0.783 57.059 56.329 -0.088 0.000 1.746 59 c CB -1.230 41.247 42.510 -0.055 0.000 2.039 59 c HN 0.381 nan 8.230 nan 0.000 0.470 60 V N 1.519 121.356 119.914 -0.128 0.000 2.427 60 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 60 V C 2.118 178.116 176.094 -0.159 0.000 1.051 60 V CA 2.382 64.617 62.300 -0.109 0.000 1.048 60 V CB -0.597 31.177 31.823 -0.082 0.000 0.666 60 V HN 0.623 nan 8.190 nan 0.000 0.456 61 N N -0.341 118.214 118.700 -0.243 0.000 2.407 61 N HA 0.062 4.802 4.740 -0.000 0.000 0.182 61 N C 0.899 176.115 175.510 -0.490 0.000 1.079 61 N CA 1.318 54.164 53.050 -0.340 0.000 0.882 61 N CB 1.619 39.847 38.487 -0.432 0.000 1.106 61 N HN 0.524 nan 8.380 nan 0.000 0.461 62 V N -3.139 116.469 119.914 -0.511 0.000 3.187 62 V HA 0.616 4.735 4.120 -0.000 0.000 0.402 62 V C 0.234 176.206 176.094 -0.204 0.000 1.457 62 V CA -0.312 61.778 62.300 -0.350 0.000 1.409 62 V CB 0.448 31.967 31.823 -0.505 0.000 1.218 62 V HN 0.106 nan 8.190 nan 0.000 0.595 63 G N 0.172 108.785 108.800 -0.312 0.000 3.359 63 G HA2 0.239 4.199 3.960 -0.000 0.000 0.187 63 G HA3 0.239 4.199 3.960 -0.000 0.000 0.187 63 G C 1.041 175.789 174.900 -0.253 0.000 1.294 63 G CA 0.675 45.672 45.100 -0.172 0.000 0.769 63 G HN 0.404 nan 8.290 nan 0.000 0.733 64 c N 0.489 119.010 118.600 -0.131 0.000 2.388 64 c HA -0.072 4.498 4.570 -0.000 0.000 0.277 64 c C 2.700 176.645 174.090 -0.242 0.000 1.210 64 c CA 0.783 57.034 56.329 -0.131 0.000 1.743 64 c CB -1.411 41.061 42.510 -0.063 0.000 2.047 64 c HN 0.391 nan 8.230 nan 0.000 0.458 65 I N 2.663 123.095 120.570 -0.231 0.000 2.069 65 I HA -0.128 4.042 4.170 -0.000 0.000 0.237 65 I C -0.212 175.695 176.117 -0.350 0.000 1.053 65 I CA 1.902 63.063 61.300 -0.232 0.000 1.311 65 I CB -1.813 36.109 38.000 -0.130 0.000 1.030 65 I HN 0.214 nan 8.210 nan 0.000 0.398 66 P HA -0.178 nan 4.420 nan 0.000 0.216 66 P C 1.661 178.564 177.300 -0.661 0.000 1.153 66 P CA 1.372 64.085 63.100 -0.645 0.000 0.844 66 P CB -0.211 30.902 31.700 -0.978 0.000 0.787 67 K N 1.154 121.113 120.400 -0.735 0.000 2.020 67 K HA -0.237 4.083 4.320 -0.000 0.000 0.212 67 K C 2.088 178.555 176.600 -0.222 0.000 1.050 67 K CA 2.143 58.273 56.287 -0.261 0.000 0.929 67 K CB -0.611 31.871 32.500 -0.029 0.000 0.714 67 K HN -0.070 nan 8.250 nan 0.000 0.443 68 K N 0.815 121.042 120.400 -0.288 0.000 2.057 68 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 68 K C 2.353 178.821 176.600 -0.220 0.000 1.049 68 K CA 1.082 57.192 56.287 -0.296 0.000 0.931 68 K CB -0.195 32.048 32.500 -0.428 0.000 0.714 68 K HN 0.181 nan 8.250 nan 0.000 0.440 69 L N 0.140 121.194 121.223 -0.281 0.000 2.042 69 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 69 L C 2.526 179.228 176.870 -0.280 0.000 1.076 69 L CA 1.618 56.295 54.840 -0.270 0.000 0.749 69 L CB -0.386 41.498 42.059 -0.292 0.000 0.893 69 L HN 0.357 nan 8.230 nan 0.000 0.432 70 M N -1.657 117.706 119.600 -0.394 0.000 2.200 70 M HA -0.191 4.289 4.480 -0.000 0.000 0.265 70 M C 2.279 178.352 176.300 -0.378 0.000 1.066 70 M CA 1.308 56.281 55.300 -0.544 0.000 1.127 70 M CB -0.665 31.287 32.600 -1.081 0.000 1.379 70 M HN 0.244 nan 8.290 nan 0.000 0.420 71 H N 0.654 119.525 119.070 -0.331 0.000 2.387 71 H HA -0.219 4.336 4.556 -0.000 0.000 0.299 71 H C 2.060 177.355 175.328 -0.055 0.000 1.099 71 H CA 2.194 58.217 56.048 -0.041 0.000 1.315 71 H CB -0.040 29.740 29.762 0.031 0.000 1.380 71 H HN 0.264 nan 8.280 nan 0.000 0.513 72 Q N 0.372 120.080 119.800 -0.153 0.000 2.124 72 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 72 Q C 2.391 178.287 176.000 -0.173 0.000 0.977 72 Q CA 1.780 57.472 55.803 -0.184 0.000 0.850 72 Q CB -0.723 27.924 28.738 -0.152 0.000 0.901 72 Q HN 0.570 nan 8.270 nan 0.000 0.429 73 A N 0.178 122.897 122.820 -0.168 0.000 1.908 73 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 73 A C 2.269 179.777 177.584 -0.127 0.000 1.181 73 A CA 2.015 53.975 52.037 -0.128 0.000 0.627 73 A CB -1.135 17.787 19.000 -0.130 0.000 0.818 73 A HN 0.522 nan 8.150 nan 0.000 0.445 74 A N -0.482 122.258 122.820 -0.133 0.000 1.929 74 A HA 0.089 4.409 4.320 -0.000 0.000 0.216 74 A C 2.104 179.618 177.584 -0.116 0.000 1.176 74 A CA 1.287 53.267 52.037 -0.095 0.000 0.628 74 A CB -0.548 18.455 19.000 0.004 0.000 0.816 74 A HN 0.454 nan 8.150 nan 0.000 0.444 75 L N -0.461 120.649 121.223 -0.189 0.000 2.131 75 L HA -0.143 4.196 4.340 -0.000 0.000 0.210 75 L C 2.396 179.204 176.870 -0.103 0.000 1.092 75 L CA 0.788 55.534 54.840 -0.156 0.000 0.759 75 L CB -0.486 41.456 42.059 -0.195 0.000 0.903 75 L HN 0.342 nan 8.230 nan 0.000 0.435 76 L N -0.548 120.613 121.223 -0.102 0.000 2.141 76 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 76 L C 2.637 179.469 176.870 -0.063 0.000 1.094 76 L CA 1.104 55.894 54.840 -0.083 0.000 0.763 76 L CB -1.105 40.906 42.059 -0.079 0.000 0.908 76 L HN 0.354 nan 8.230 nan 0.000 0.437 77 G N -0.831 107.936 108.800 -0.055 0.000 2.511 77 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.216 77 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.216 77 G C 1.437 176.318 174.900 -0.032 0.000 1.218 77 G CA 0.365 45.446 45.100 -0.032 0.000 0.788 77 G HN 0.205 nan 8.290 nan 0.000 0.560 78 Q N 0.704 120.478 119.800 -0.043 0.000 2.133 78 Q HA -0.114 4.226 4.340 -0.000 0.000 0.208 78 Q C 2.857 178.828 176.000 -0.048 0.000 0.991 78 Q CA 1.852 57.627 55.803 -0.046 0.000 0.867 78 Q CB -0.903 27.792 28.738 -0.071 0.000 0.911 78 Q HN 0.429 nan 8.270 nan 0.000 0.417 79 A N 0.079 122.863 122.820 -0.059 0.000 1.972 79 A HA -0.122 4.197 4.320 -0.000 0.000 0.219 79 A C 2.240 179.788 177.584 -0.061 0.000 1.169 79 A CA 0.992 52.988 52.037 -0.069 0.000 0.635 79 A CB -0.604 18.341 19.000 -0.091 0.000 0.810 79 A HN 0.407 nan 8.150 nan 0.000 0.446 80 L N -1.117 120.076 121.223 -0.049 0.000 2.042 80 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 80 L C 2.622 179.498 176.870 0.010 0.000 1.076 80 L CA 2.045 56.867 54.840 -0.030 0.000 0.749 80 L CB -0.457 41.594 42.059 -0.015 0.000 0.893 80 L HN 0.359 nan 8.230 nan 0.000 0.432 81 K N 0.058 120.466 120.400 0.014 0.000 2.002 81 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 81 K C 1.657 178.299 176.600 0.069 0.000 1.048 81 K CA 1.641 57.951 56.287 0.038 0.000 0.930 81 K CB -0.175 32.339 32.500 0.024 0.000 0.714 81 K HN 0.228 nan 8.250 nan 0.000 0.438 82 D N -0.053 120.380 120.400 0.056 0.000 2.221 82 D HA -0.137 4.503 4.640 -0.000 0.000 0.204 82 D C 1.723 178.153 176.300 0.217 0.000 0.982 82 D CA 1.467 55.544 54.000 0.128 0.000 0.857 82 D CB -0.390 40.468 40.800 0.096 0.000 0.934 82 D HN 0.240 nan 8.370 nan 0.000 0.475 83 S N 0.117 115.906 115.700 0.149 0.000 2.469 83 S HA -0.155 4.314 4.470 -0.000 0.000 0.238 83 S C 1.868 176.723 174.600 0.425 0.000 0.998 83 S CA 0.507 58.876 58.200 0.282 0.000 0.957 83 S CB -0.164 63.104 63.200 0.113 0.000 0.764 83 S HN 0.174 nan 8.310 nan 0.000 0.514 84 R N 2.025 122.688 120.500 0.272 0.000 2.070 84 R HA -0.052 4.288 4.340 -0.000 0.000 0.233 84 R C 1.511 177.924 176.300 0.188 0.000 1.137 84 R CA 1.926 58.152 56.100 0.211 0.000 0.945 84 R CB -0.401 29.980 30.300 0.135 0.000 0.845 84 R HN 0.533 nan 8.270 nan 0.000 0.430 85 N N -0.917 117.895 118.700 0.187 0.000 2.512 85 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 85 N C 0.474 175.998 175.510 0.023 0.000 1.073 85 N CA 0.826 53.917 53.050 0.069 0.000 0.911 85 N CB -0.011 38.473 38.487 -0.005 0.000 0.964 85 N HN 0.294 nan 8.380 nan 0.000 0.447 86 Y N -0.567 119.802 120.300 0.116 0.000 2.466 86 Y HA 0.316 4.866 4.550 -0.000 0.000 0.272 86 Y C 1.696 177.576 175.900 -0.034 0.000 1.169 86 Y CA 0.147 58.309 58.100 0.103 0.000 1.285 86 Y CB 0.269 38.862 38.460 0.222 0.000 1.078 86 Y HN 0.149 nan 8.280 nan 0.000 0.523 87 G N -2.047 106.784 108.800 0.050 0.000 2.192 87 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.193 87 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.193 87 G C -0.343 174.342 174.900 -0.358 0.000 0.999 87 G CA -0.738 44.246 45.100 -0.194 0.000 0.659 87 G HN 0.203 nan 8.290 nan 0.000 0.503 88 W N 2.397 123.743 121.300 0.077 0.000 2.287 88 W HA 0.587 5.247 4.660 -0.000 0.000 0.313 88 W C 0.743 177.288 176.519 0.043 0.000 1.267 88 W CA -0.509 56.866 57.345 0.051 0.000 1.201 88 W CB 0.696 30.182 29.460 0.044 0.000 1.196 88 W HN 0.166 nan 8.180 nan 0.000 0.536 89 K N 5.369 125.886 120.400 0.195 0.000 2.257 89 K HA 0.482 4.802 4.320 -0.000 0.000 0.270 89 K C -0.262 176.419 176.600 0.136 0.000 1.098 89 K CA -0.513 55.851 56.287 0.127 0.000 0.943 89 K CB 0.369 32.908 32.500 0.065 0.000 1.316 89 K HN 0.555 nan 8.250 nan 0.000 0.447 90 L N -1.614 119.686 121.223 0.127 0.000 2.267 90 L HA 0.613 4.953 4.340 -0.000 0.000 0.264 90 L C -0.541 176.371 176.870 0.070 0.000 1.021 90 L CA -1.181 53.718 54.840 0.097 0.000 0.861 90 L CB 1.298 43.413 42.059 0.093 0.000 1.443 90 L HN 0.207 nan 8.230 nan 0.000 0.475 91 E N 0.885 121.119 120.200 0.056 0.000 2.259 91 E HA 0.059 4.408 4.350 -0.000 0.000 0.281 91 E C 0.013 176.639 176.600 0.043 0.000 1.037 91 E CA 0.231 56.658 56.400 0.045 0.000 0.854 91 E CB 1.394 31.117 29.700 0.038 0.000 1.051 91 E HN 0.756 nan 8.360 nan 0.000 0.409 92 D N 1.545 121.969 120.400 0.039 0.000 2.382 92 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 92 D C -0.395 175.926 176.300 0.035 0.000 1.026 92 D CA 1.552 55.574 54.000 0.036 0.000 0.913 92 D CB 0.369 41.187 40.800 0.029 0.000 0.894 92 D HN 0.248 nan 8.370 nan 0.000 0.453 93 T N -0.481 114.094 114.554 0.035 0.000 3.109 93 T HA 0.449 4.798 4.350 -0.000 0.000 0.311 93 T C -0.996 173.727 174.700 0.039 0.000 1.011 93 T CA -0.820 61.301 62.100 0.036 0.000 1.026 93 T CB 2.115 71.003 68.868 0.034 0.000 1.047 93 T HN -0.242 nan 8.240 nan 0.000 0.448 94 V N 4.028 123.968 119.914 0.043 0.000 2.398 94 V HA 0.491 4.611 4.120 -0.000 0.000 0.286 94 V C 0.273 176.405 176.094 0.064 0.000 1.026 94 V CA -1.067 61.261 62.300 0.047 0.000 0.868 94 V CB 1.525 33.374 31.823 0.042 0.000 0.982 94 V HN 0.652 nan 8.190 nan 0.000 0.443 95 K N 2.018 122.457 120.400 0.065 0.000 2.185 95 K HA 0.373 4.693 4.320 -0.000 0.000 0.271 95 K C -0.589 176.083 176.600 0.120 0.000 1.013 95 K CA -0.519 55.821 56.287 0.089 0.000 0.943 95 K CB 1.379 33.919 32.500 0.066 0.000 0.998 95 K HN 0.871 nan 8.250 nan 0.000 0.468 96 H N 0.296 119.399 119.070 0.055 0.000 2.463 96 H HA 0.172 4.728 4.556 -0.000 0.000 0.332 96 H C -1.196 174.186 175.328 0.089 0.000 1.127 96 H CA -0.473 55.611 56.048 0.061 0.000 1.238 96 H CB 1.255 31.062 29.762 0.075 0.000 1.478 96 H HN 0.377 nan 8.280 nan 0.000 0.499 97 D N 4.920 124.931 120.400 -0.647 0.000 2.472 97 D HA -0.022 4.617 4.640 -0.000 0.000 0.234 97 D C 0.668 176.761 176.300 -0.345 0.000 1.088 97 D CA -0.634 53.176 54.000 -0.318 0.000 0.882 97 D CB 0.030 40.727 40.800 -0.172 0.000 1.037 97 D HN 0.674 nan 8.370 nan 0.000 0.520 98 W N 4.500 125.678 121.300 -0.204 0.000 2.318 98 W HA -0.196 4.464 4.660 -0.000 0.000 0.313 98 W C 1.000 177.494 176.519 -0.041 0.000 1.221 98 W CA 1.427 58.757 57.345 -0.024 0.000 1.266 98 W CB 0.163 29.676 29.460 0.088 0.000 1.150 98 W HN 0.514 nan 8.180 nan 0.000 0.496 99 E N 0.314 120.664 120.200 0.249 0.000 2.023 99 E HA -0.308 4.041 4.350 -0.000 0.000 0.196 99 E C 2.033 178.611 176.600 -0.036 0.000 1.003 99 E CA 1.993 58.485 56.400 0.152 0.000 0.809 99 E CB -0.468 29.326 29.700 0.156 0.000 0.755 99 E HN -0.007 nan 8.360 nan 0.000 0.449 100 K N 1.246 121.606 120.400 -0.067 0.000 2.059 100 K HA -0.220 4.099 4.320 -0.000 0.000 0.212 100 K C 2.072 178.581 176.600 -0.151 0.000 1.050 100 K CA 1.765 57.994 56.287 -0.097 0.000 0.927 100 K CB -0.316 32.120 32.500 -0.106 0.000 0.714 100 K HN 0.121 nan 8.250 nan 0.000 0.447 101 M N 0.190 119.647 119.600 -0.237 0.000 2.059 101 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 101 M C 2.101 178.225 176.300 -0.293 0.000 1.072 101 M CA 2.648 57.794 55.300 -0.257 0.000 1.117 101 M CB -0.646 31.791 32.600 -0.272 0.000 1.320 101 M HN 0.438 nan 8.290 nan 0.000 0.408 102 T N -1.366 112.928 114.554 -0.433 0.000 2.881 102 T HA -0.215 4.135 4.350 -0.000 0.000 0.270 102 T C 1.606 176.222 174.700 -0.140 0.000 1.068 102 T CA 1.783 63.682 62.100 -0.334 0.000 1.131 102 T CB -0.618 68.024 68.868 -0.377 0.000 0.871 102 T HN 0.674 nan 8.240 nan 0.000 0.479 103 E N 0.734 120.873 120.200 -0.101 0.000 2.023 103 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 103 E C 2.423 178.996 176.600 -0.045 0.000 1.003 103 E CA 1.584 57.959 56.400 -0.041 0.000 0.809 103 E CB -0.451 29.233 29.700 -0.026 0.000 0.755 103 E HN 0.583 nan 8.360 nan 0.000 0.449 104 S N 0.008 115.665 115.700 -0.071 0.000 2.365 104 S HA -0.179 4.290 4.470 -0.000 0.000 0.225 104 S C 2.050 176.616 174.600 -0.055 0.000 1.039 104 S CA 1.354 59.517 58.200 -0.062 0.000 1.033 104 S CB -0.312 62.833 63.200 -0.091 0.000 0.887 104 S HN 0.187 nan 8.310 nan 0.000 0.447 105 V N 1.967 121.823 119.914 -0.097 0.000 2.237 105 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 105 V C 2.662 178.743 176.094 -0.021 0.000 1.046 105 V CA 1.644 63.888 62.300 -0.094 0.000 1.007 105 V CB -0.666 31.064 31.823 -0.155 0.000 0.638 105 V HN 0.460 nan 8.190 nan 0.000 0.445 106 Q N -0.139 119.650 119.800 -0.017 0.000 2.135 106 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 106 Q C 2.276 178.300 176.000 0.040 0.000 0.981 106 Q CA 1.614 57.429 55.803 0.020 0.000 0.856 106 Q CB -0.799 27.960 28.738 0.035 0.000 0.902 106 Q HN 0.720 nan 8.270 nan 0.000 0.425 107 N N 0.335 119.057 118.700 0.037 0.000 2.094 107 N HA -0.233 4.507 4.740 -0.000 0.000 0.191 107 N C 1.831 177.381 175.510 0.066 0.000 1.023 107 N CA 1.193 54.274 53.050 0.051 0.000 0.857 107 N CB -0.152 38.359 38.487 0.039 0.000 1.013 107 N HN 0.409 nan 8.380 nan 0.000 0.426 108 H N 1.047 120.095 119.070 -0.036 0.000 2.357 108 H HA -0.015 4.540 4.556 -0.000 0.000 0.301 108 H C 2.319 177.617 175.328 -0.050 0.000 1.082 108 H CA 1.151 57.166 56.048 -0.054 0.000 1.342 108 H CB -0.041 29.671 29.762 -0.084 0.000 1.389 108 H HN 0.252 nan 8.280 nan 0.000 0.511 109 I N 0.493 121.065 120.570 0.004 0.000 2.208 109 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 109 I C 2.894 178.980 176.117 -0.051 0.000 1.097 109 I CA 1.228 62.502 61.300 -0.044 0.000 1.363 109 I CB -0.706 37.294 38.000 -0.000 0.000 1.051 109 I HN 0.314 nan 8.210 nan 0.000 0.413 110 G N -0.124 108.682 108.800 0.009 0.000 2.418 110 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 110 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 110 G C 1.771 176.703 174.900 0.053 0.000 1.158 110 G CA 1.070 46.222 45.100 0.088 0.000 0.771 110 G HN 0.420 nan 8.290 nan 0.000 0.545 111 S N -0.219 115.431 115.700 -0.084 0.000 2.419 111 S HA 0.018 4.488 4.470 -0.000 0.000 0.233 111 S C 2.370 176.657 174.600 -0.522 0.000 1.016 111 S CA 1.064 59.098 58.200 -0.276 0.000 0.974 111 S CB -0.184 62.855 63.200 -0.269 0.000 0.786 111 S HN 0.332 nan 8.310 nan 0.000 0.492 112 L N 1.038 122.021 121.223 -0.399 0.000 2.127 112 L HA 0.017 4.357 4.340 -0.000 0.000 0.203 112 L C 2.541 179.319 176.870 -0.153 0.000 1.080 112 L CA 0.675 55.302 54.840 -0.356 0.000 0.768 112 L CB -0.682 41.276 42.059 -0.168 0.000 0.924 112 L HN 0.240 nan 8.230 nan 0.000 0.444 113 N N 0.575 119.269 118.700 -0.011 0.000 2.027 113 N HA -0.263 4.477 4.740 -0.000 0.000 0.200 113 N C 1.485 177.053 175.510 0.096 0.000 1.042 113 N CA 2.055 55.171 53.050 0.111 0.000 0.871 113 N CB -0.543 38.031 38.487 0.146 0.000 1.063 113 N HN 0.603 nan 8.380 nan 0.000 0.438 114 W N 0.882 122.174 121.300 -0.014 0.000 3.180 114 W HA 0.316 4.976 4.660 -0.000 0.000 0.254 114 W C 1.360 177.833 176.519 -0.078 0.000 1.318 114 W CA 0.363 57.692 57.345 -0.028 0.000 1.608 114 W CB -0.884 28.566 29.460 -0.017 0.000 1.124 114 W HN -0.077 nan 8.180 nan 0.000 0.694 115 G N 0.972 109.271 108.800 -0.834 0.000 2.403 115 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 115 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 115 G C 1.113 175.699 174.900 -0.524 0.000 1.154 115 G CA 0.760 45.333 45.100 -0.877 0.000 0.784 115 G HN 0.237 nan 8.290 nan 0.000 0.538 116 Y N 0.340 120.486 120.300 -0.258 0.000 2.200 116 Y HA 0.014 4.564 4.550 -0.000 0.000 0.290 116 Y C 2.935 178.735 175.900 -0.166 0.000 1.137 116 Y CA 1.337 59.320 58.100 -0.195 0.000 1.163 116 Y CB -0.287 38.058 38.460 -0.192 0.000 0.988 116 Y HN 0.057 nan 8.280 nan 0.000 0.518 117 R N -0.189 120.323 120.500 0.020 0.000 2.073 117 R HA -0.148 4.191 4.340 -0.000 0.000 0.234 117 R C 2.113 178.456 176.300 0.073 0.000 1.134 117 R CA 1.628 57.736 56.100 0.013 0.000 0.952 117 R CB -0.535 29.846 30.300 0.135 0.000 0.850 117 R HN 0.174 nan 8.270 nan 0.000 0.433 118 V N 0.730 120.703 119.914 0.099 0.000 2.407 118 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 118 V C 2.369 178.471 176.094 0.013 0.000 1.055 118 V CA 1.880 64.241 62.300 0.101 0.000 1.049 118 V CB -0.606 31.286 31.823 0.114 0.000 0.662 118 V HN 0.530 nan 8.190 nan 0.000 0.455 119 A N -0.142 122.645 122.820 -0.055 0.000 1.877 119 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 119 A C 2.207 179.782 177.584 -0.016 0.000 1.186 119 A CA 1.832 53.834 52.037 -0.059 0.000 0.620 119 A CB -0.546 18.398 19.000 -0.095 0.000 0.822 119 A HN 0.493 nan 8.150 nan 0.000 0.443 120 L N -0.925 120.298 121.223 -0.001 0.000 2.012 120 L HA -0.222 4.117 4.340 -0.000 0.000 0.210 120 L C 2.831 179.721 176.870 0.033 0.000 1.073 120 L CA 1.968 56.814 54.840 0.011 0.000 0.748 120 L CB -0.538 41.523 42.059 0.003 0.000 0.891 120 L HN 0.511 nan 8.230 nan 0.000 0.431 121 R N 0.055 120.587 120.500 0.052 0.000 2.096 121 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 121 R C 2.127 178.449 176.300 0.037 0.000 1.127 121 R CA 1.326 57.463 56.100 0.061 0.000 0.968 121 R CB -0.014 30.334 30.300 0.080 0.000 0.861 121 R HN 0.269 nan 8.270 nan 0.000 0.440 122 E N 1.005 121.218 120.200 0.021 0.000 2.106 122 E HA -0.123 4.226 4.350 -0.000 0.000 0.192 122 E C 1.277 177.874 176.600 -0.005 0.000 0.984 122 E CA 1.220 57.624 56.400 0.006 0.000 0.806 122 E CB 0.071 29.766 29.700 -0.008 0.000 0.750 122 E HN 0.454 nan 8.360 nan 0.000 0.458 123 K N 0.819 121.213 120.400 -0.010 0.000 2.458 123 K HA 0.102 4.422 4.320 -0.000 0.000 0.194 123 K C -0.033 176.560 176.600 -0.011 0.000 1.024 123 K CA -0.059 56.214 56.287 -0.023 0.000 1.108 123 K CB 0.268 32.746 32.500 -0.037 0.000 0.846 123 K HN -0.038 nan 8.250 nan 0.000 0.518 124 K N 0.509 120.914 120.400 0.007 0.000 3.161 124 K HA -0.126 4.194 4.320 -0.000 0.000 0.270 124 K C -0.790 175.830 176.600 0.034 0.000 1.115 124 K CA 0.270 56.569 56.287 0.020 0.000 0.789 124 K CB -1.962 30.542 32.500 0.008 0.000 1.256 124 K HN 0.008 nan 8.250 nan 0.000 0.492 125 V N 1.188 121.127 119.914 0.042 0.000 2.435 125 V HA 0.269 4.389 4.120 -0.000 0.000 0.290 125 V C 0.695 176.841 176.094 0.087 0.000 1.030 125 V CA -0.926 61.406 62.300 0.054 0.000 0.881 125 V CB 1.985 33.823 31.823 0.024 0.000 0.983 125 V HN 0.071 nan 8.190 nan 0.000 0.445 126 V N 5.295 125.274 119.914 0.108 0.000 2.488 126 V HA 0.201 4.321 4.120 -0.000 0.000 0.277 126 V C -0.532 175.615 176.094 0.088 0.000 1.046 126 V CA -0.246 62.121 62.300 0.111 0.000 0.986 126 V CB 0.812 32.737 31.823 0.169 0.000 0.989 126 V HN 0.753 nan 8.190 nan 0.000 0.475 127 Y N 4.752 125.042 120.300 -0.017 0.000 2.352 127 Y HA 0.710 5.260 4.550 -0.000 0.000 0.339 127 Y C -0.365 175.523 175.900 -0.020 0.000 0.992 127 Y CA -1.498 56.583 58.100 -0.030 0.000 1.100 127 Y CB 1.705 40.168 38.460 0.005 0.000 1.192 127 Y HN 0.691 nan 8.280 nan 0.000 0.458 128 E N 4.210 124.146 120.200 -0.439 0.000 2.246 128 E HA 0.244 4.594 4.350 -0.000 0.000 0.266 128 E C -1.366 174.906 176.600 -0.546 0.000 0.880 128 E CA -0.452 55.653 56.400 -0.492 0.000 0.762 128 E CB 0.862 30.434 29.700 -0.213 0.000 1.180 128 E HN 0.738 nan 8.360 nan 0.000 0.416 129 N N 3.228 121.585 118.700 -0.572 0.000 2.605 129 N HA 0.423 5.163 4.740 -0.000 0.000 0.258 129 N C -1.334 174.268 175.510 0.154 0.000 1.156 129 N CA 0.132 53.069 53.050 -0.189 0.000 1.008 129 N CB 0.130 38.525 38.487 -0.153 0.000 1.354 129 N HN 0.438 nan 8.380 nan 0.000 0.509 130 A N 2.985 125.974 122.820 0.282 0.000 2.610 130 A HA 0.258 4.578 4.320 -0.000 0.000 0.291 130 A C -2.038 175.684 177.584 0.231 0.000 1.086 130 A CA -0.640 51.599 52.037 0.337 0.000 0.677 130 A CB 0.748 19.828 19.000 0.133 0.000 1.278 130 A HN 0.592 nan 8.150 nan 0.000 0.414 131 Y N 0.887 121.070 120.300 -0.195 0.000 2.313 131 Y HA 0.512 5.062 4.550 -0.000 0.000 0.332 131 Y C 0.761 176.602 175.900 -0.098 0.000 1.071 131 Y CA 0.567 58.556 58.100 -0.185 0.000 1.169 131 Y CB 1.243 39.437 38.460 -0.443 0.000 1.192 131 Y HN 0.871 nan 8.280 nan 0.000 0.487 132 G N 5.936 114.591 108.800 -0.241 0.000 2.356 132 G HA2 0.446 4.406 3.960 -0.000 0.000 0.322 132 G HA3 0.446 4.406 3.960 -0.000 0.000 0.322 132 G C -1.552 173.295 174.900 -0.088 0.000 1.125 132 G CA -0.763 44.258 45.100 -0.132 0.000 0.885 132 G HN 0.570 nan 8.290 nan 0.000 0.467 133 K N 2.533 122.925 120.400 -0.012 0.000 2.581 133 K HA 0.312 4.632 4.320 -0.000 0.000 0.249 133 K C -1.253 175.352 176.600 0.009 0.000 0.966 133 K CA -0.723 55.596 56.287 0.054 0.000 0.811 133 K CB 1.470 34.053 32.500 0.139 0.000 1.223 133 K HN 0.294 nan 8.250 nan 0.000 0.438 134 F N 4.275 124.240 119.950 0.025 0.000 2.518 134 F HA 0.092 4.619 4.527 -0.000 0.000 0.359 134 F C 1.718 177.523 175.800 0.009 0.000 1.118 134 F CA 0.235 58.223 58.000 -0.021 0.000 1.287 134 F CB 0.604 39.536 39.000 -0.113 0.000 1.132 134 F HN 0.519 nan 8.300 nan 0.000 0.587 135 I N -0.849 119.857 120.570 0.227 0.000 4.312 135 I HA 0.643 4.813 4.170 -0.000 0.000 0.324 135 I C 0.647 176.843 176.117 0.131 0.000 1.298 135 I CA 0.207 61.594 61.300 0.145 0.000 1.231 135 I CB 0.549 38.617 38.000 0.114 0.000 1.152 135 I HN 0.548 nan 8.210 nan 0.000 0.421 136 G N 0.907 109.806 108.800 0.166 0.000 2.349 136 G HA2 0.363 4.323 3.960 -0.000 0.000 0.294 136 G HA3 0.363 4.323 3.960 -0.000 0.000 0.294 136 G C -3.270 171.738 174.900 0.180 0.000 1.380 136 G CA -0.924 44.257 45.100 0.134 0.000 0.811 136 G HN -0.226 nan 8.290 nan 0.000 0.519 137 P HA 0.210 nan 4.420 nan 0.000 0.260 137 P C -0.009 177.540 177.300 0.414 0.000 1.172 137 P CA 1.072 64.346 63.100 0.290 0.000 0.760 137 P CB -0.003 31.859 31.700 0.269 0.000 0.773 138 H N -0.774 118.453 119.070 0.262 0.000 3.329 138 H HA -0.220 4.336 4.556 -0.000 0.000 0.245 138 H C -0.057 175.596 175.328 0.542 0.000 1.099 138 H CA 1.505 57.792 56.048 0.399 0.000 1.186 138 H CB -1.608 28.311 29.762 0.262 0.000 1.243 138 H HN 0.377 nan 8.280 nan 0.000 0.319 139 K N 0.301 120.987 120.400 0.476 0.000 2.345 139 K HA 0.687 5.007 4.320 -0.000 0.000 0.255 139 K C -0.720 176.085 176.600 0.343 0.000 0.934 139 K CA -0.527 56.010 56.287 0.417 0.000 0.801 139 K CB 2.337 35.009 32.500 0.286 0.000 1.137 139 K HN 0.243 nan 8.250 nan 0.000 0.424 140 I N 2.638 123.403 120.570 0.326 0.000 2.730 140 I HA 0.452 4.622 4.170 -0.000 0.000 0.298 140 I C -1.478 174.731 176.117 0.153 0.000 1.089 140 I CA -1.087 60.304 61.300 0.153 0.000 1.041 140 I CB 1.704 39.740 38.000 0.059 0.000 1.235 140 I HN 0.676 nan 8.210 nan 0.000 0.423 141 M N 7.165 126.815 119.600 0.085 0.000 2.149 141 M HA 0.660 5.140 4.480 -0.000 0.000 0.342 141 M C -1.228 175.122 176.300 0.084 0.000 1.068 141 M CA -0.425 54.918 55.300 0.072 0.000 0.991 141 M CB 1.300 33.929 32.600 0.049 0.000 1.596 141 M HN 0.720 nan 8.290 nan 0.000 0.439 142 A N 4.013 126.903 122.820 0.116 0.000 2.258 142 A HA 0.614 4.934 4.320 -0.000 0.000 0.316 142 A C -0.484 177.137 177.584 0.061 0.000 1.279 142 A CA -0.507 51.602 52.037 0.121 0.000 0.876 142 A CB 0.512 19.654 19.000 0.237 0.000 1.170 142 A HN 0.787 nan 8.150 nan 0.000 0.520 143 T N 3.349 117.912 114.554 0.015 0.000 2.744 143 T HA 0.221 4.570 4.350 -0.000 0.000 0.291 143 T C 0.689 175.337 174.700 -0.086 0.000 0.957 143 T CA -0.186 61.883 62.100 -0.053 0.000 1.002 143 T CB 0.348 69.143 68.868 -0.122 0.000 0.919 143 T HN 0.809 nan 8.240 nan 0.000 0.468 144 N N 2.268 120.959 118.700 -0.015 0.000 2.178 144 N HA -0.054 4.686 4.740 -0.000 0.000 0.217 144 N C 1.429 176.989 175.510 0.083 0.000 1.342 144 N CA 0.154 53.237 53.050 0.054 0.000 0.884 144 N CB 0.344 38.855 38.487 0.040 0.000 1.105 144 N HN 0.487 nan 8.380 nan 0.000 0.444 145 N N 0.043 118.878 118.700 0.225 0.000 2.376 145 N HA 0.018 4.758 4.740 -0.000 0.000 0.177 145 N C 0.213 175.810 175.510 0.146 0.000 1.024 145 N CA 1.039 54.287 53.050 0.330 0.000 0.893 145 N CB 0.124 38.777 38.487 0.276 0.000 0.980 145 N HN 0.414 nan 8.380 nan 0.000 0.439 146 K N -0.772 119.677 120.400 0.081 0.000 2.417 146 K HA 0.236 4.556 4.320 -0.000 0.000 0.196 146 K C 0.625 177.233 176.600 0.013 0.000 1.023 146 K CA 0.417 56.728 56.287 0.042 0.000 1.122 146 K CB 0.360 32.880 32.500 0.032 0.000 0.850 146 K HN 0.237 nan 8.250 nan 0.000 0.521 147 G N 0.999 109.797 108.800 -0.004 0.000 2.176 147 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.232 147 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.232 147 G C -0.290 174.595 174.900 -0.025 0.000 0.986 147 G CA -0.403 44.678 45.100 -0.031 0.000 0.643 147 G HN 0.045 nan 8.290 nan 0.000 0.522 148 K N 1.575 121.970 120.400 -0.008 0.000 2.368 148 K HA 0.391 4.711 4.320 -0.000 0.000 0.282 148 K C 0.486 177.080 176.600 -0.010 0.000 1.035 148 K CA 0.116 56.399 56.287 -0.007 0.000 0.973 148 K CB 0.996 33.499 32.500 0.004 0.000 0.957 148 K HN 0.602 nan 8.250 nan 0.000 0.474 149 E N 1.717 121.906 120.200 -0.019 0.000 2.214 149 E HA 0.334 4.684 4.350 -0.000 0.000 0.274 149 E C -0.563 176.013 176.600 -0.041 0.000 0.977 149 E CA -0.714 55.672 56.400 -0.023 0.000 0.827 149 E CB 1.611 31.296 29.700 -0.025 0.000 1.130 149 E HN 0.219 nan 8.360 nan 0.000 0.394 150 K N 0.995 121.358 120.400 -0.061 0.000 2.523 150 K HA 0.418 4.738 4.320 -0.000 0.000 0.257 150 K C -1.856 174.578 176.600 -0.276 0.000 0.932 150 K CA -0.578 55.600 56.287 -0.181 0.000 0.812 150 K CB 1.746 34.133 32.500 -0.189 0.000 1.326 150 K HN 0.276 nan 8.250 nan 0.000 0.433 151 V N 4.140 123.841 119.914 -0.354 0.000 2.667 151 V HA 0.576 4.696 4.120 -0.000 0.000 0.308 151 V C -1.125 174.740 176.094 -0.382 0.000 1.048 151 V CA -0.536 61.628 62.300 -0.226 0.000 0.928 151 V CB 1.230 33.016 31.823 -0.062 0.000 1.004 151 V HN 0.702 nan 8.190 nan 0.000 0.444 152 Y N 0.589 120.977 120.300 0.147 0.000 2.576 152 Y HA 0.668 5.218 4.550 -0.000 0.000 0.346 152 Y C 0.318 176.386 175.900 0.281 0.000 1.018 152 Y CA -0.717 57.505 58.100 0.205 0.000 1.050 152 Y CB 2.449 41.004 38.460 0.158 0.000 1.280 152 Y HN 0.565 nan 8.280 nan 0.000 0.474 153 S N 0.696 116.705 115.700 0.516 0.000 2.566 153 S HA 0.962 5.431 4.470 -0.000 0.000 0.298 153 S C -1.054 173.847 174.600 0.502 0.000 1.083 153 S CA -0.781 57.748 58.200 0.548 0.000 0.978 153 S CB 1.931 65.457 63.200 0.543 0.000 1.073 153 S HN 0.816 nan 8.310 nan 0.000 0.491 154 A N 0.532 123.598 122.820 0.410 0.000 2.604 154 A HA 0.617 4.936 4.320 -0.000 0.000 0.295 154 A C 0.321 177.742 177.584 -0.271 0.000 1.067 154 A CA -0.557 51.524 52.037 0.073 0.000 0.683 154 A CB 1.087 19.853 19.000 -0.390 0.000 1.281 154 A HN 0.810 nan 8.150 nan 0.000 0.407 155 E N -0.045 119.962 120.200 -0.321 0.000 2.152 155 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 155 E C 0.267 176.912 176.600 0.075 0.000 0.983 155 E CA 0.851 57.022 56.400 -0.382 0.000 0.818 155 E CB 0.179 29.857 29.700 -0.037 0.000 0.758 155 E HN 0.545 nan 8.360 nan 0.000 0.467 156 R N -1.243 119.352 120.500 0.159 0.000 2.774 156 R HA 0.436 4.776 4.340 -0.000 0.000 0.272 156 R C -1.504 174.933 176.300 0.228 0.000 1.000 156 R CA -0.672 55.651 56.100 0.372 0.000 0.906 156 R CB 1.429 31.943 30.300 0.357 0.000 1.227 156 R HN -0.140 nan 8.270 nan 0.000 0.468 157 F N 0.984 121.076 119.950 0.236 0.000 2.603 157 F HA 0.579 5.106 4.527 -0.000 0.000 0.317 157 F C -0.959 174.964 175.800 0.204 0.000 1.066 157 F CA -1.006 57.111 58.000 0.194 0.000 0.941 157 F CB 1.884 41.052 39.000 0.280 0.000 1.291 157 F HN 0.193 nan 8.300 nan 0.000 0.472 158 L N 3.854 125.272 121.223 0.326 0.000 2.446 158 L HA 0.582 4.922 4.340 -0.000 0.000 0.268 158 L C -1.263 175.726 176.870 0.198 0.000 0.975 158 L CA -0.441 54.553 54.840 0.256 0.000 0.848 158 L CB 1.041 43.205 42.059 0.175 0.000 1.225 158 L HN 0.468 nan 8.230 nan 0.000 0.410 159 I N 5.403 126.090 120.570 0.195 0.000 2.436 159 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 159 I C 0.613 176.788 176.117 0.097 0.000 1.083 159 I CA 0.069 61.456 61.300 0.146 0.000 1.372 159 I CB 1.036 39.119 38.000 0.138 0.000 1.408 159 I HN 0.865 nan 8.210 nan 0.000 0.516 160 A N 3.999 126.857 122.820 0.064 0.000 3.176 160 A HA 0.261 4.581 4.320 -0.000 0.000 0.265 160 A C 0.919 178.523 177.584 0.034 0.000 0.936 160 A CA -0.341 51.726 52.037 0.050 0.000 1.033 160 A CB -0.230 18.793 19.000 0.038 0.000 1.158 160 A HN 0.756 nan 8.150 nan 0.000 0.485 161 T N -3.063 111.513 114.554 0.036 0.000 3.081 161 T HA 0.436 4.786 4.350 -0.000 0.000 0.250 161 T C 1.276 176.011 174.700 0.059 0.000 1.100 161 T CA 1.045 63.162 62.100 0.028 0.000 1.038 161 T CB -0.315 68.558 68.868 0.007 0.000 0.962 161 T HN 2.020 nan 8.240 nan 0.000 0.516 162 G N 1.909 110.749 108.800 0.066 0.000 2.682 162 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.256 162 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.256 162 G C -0.517 174.441 174.900 0.097 0.000 1.333 162 G CA 0.040 45.190 45.100 0.082 0.000 0.904 162 G HN 0.883 nan 8.290 nan 0.000 0.569 163 E N -0.711 119.555 120.200 0.111 0.000 2.404 163 E HA 0.854 5.203 4.350 -0.000 0.000 0.264 163 E C -0.359 176.329 176.600 0.146 0.000 0.946 163 E CA -1.324 55.148 56.400 0.120 0.000 0.806 163 E CB 1.598 31.363 29.700 0.108 0.000 1.334 163 E HN 0.500 nan 8.360 nan 0.000 0.429 164 R N -0.084 120.506 120.500 0.151 0.000 2.867 164 R HA 0.500 4.840 4.340 -0.000 0.000 0.268 164 R C -2.673 173.718 176.300 0.152 0.000 1.014 164 R CA -2.526 53.681 56.100 0.178 0.000 0.946 164 R CB 0.830 31.254 30.300 0.206 0.000 1.208 164 R HN 0.399 nan 8.270 nan 0.000 0.477 165 P HA 0.101 nan 4.420 nan 0.000 0.269 165 P C -0.547 176.831 177.300 0.131 0.000 1.217 165 P CA -0.052 63.102 63.100 0.091 0.000 0.783 165 P CB 0.613 32.340 31.700 0.046 0.000 0.898 166 R N 1.872 122.413 120.500 0.068 0.000 2.514 166 R HA 0.417 4.757 4.340 -0.000 0.000 0.301 166 R C -0.907 175.434 176.300 0.069 0.000 0.962 166 R CA -0.545 55.626 56.100 0.119 0.000 0.882 166 R CB 0.497 30.843 30.300 0.078 0.000 1.143 166 R HN 0.362 nan 8.270 nan 0.000 0.452 167 Y N 2.095 122.413 120.300 0.030 0.000 2.488 167 Y HA 0.308 4.858 4.550 -0.000 0.000 0.325 167 Y C 0.092 176.003 175.900 0.018 0.000 1.204 167 Y CA -0.741 57.371 58.100 0.020 0.000 1.229 167 Y CB 0.909 39.379 38.460 0.016 0.000 1.274 167 Y HN 0.350 nan 8.280 nan 0.000 0.493 168 L N 1.083 122.394 121.223 0.147 0.000 2.371 168 L HA 0.259 4.599 4.340 -0.000 0.000 0.272 168 L C 1.590 178.520 176.870 0.100 0.000 1.124 168 L CA 0.084 54.979 54.840 0.092 0.000 0.816 168 L CB 0.670 42.764 42.059 0.058 0.000 1.129 168 L HN 0.945 nan 8.230 nan 0.000 0.448 169 G N 3.642 112.484 108.800 0.069 0.000 2.564 169 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 169 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 169 G C 0.771 175.698 174.900 0.045 0.000 1.124 169 G CA 0.192 45.324 45.100 0.053 0.000 0.764 169 G HN 0.678 nan 8.290 nan 0.000 0.550 170 I N -1.138 119.462 120.570 0.051 0.000 2.692 170 I HA 0.333 4.502 4.170 -0.000 0.000 0.284 170 I C -2.398 173.748 176.117 0.047 0.000 1.159 170 I CA -2.051 59.275 61.300 0.043 0.000 1.423 170 I CB 0.609 38.633 38.000 0.040 0.000 1.380 170 I HN -0.221 nan 8.210 nan 0.000 0.580 171 P HA 0.093 nan 4.420 nan 0.000 0.264 171 P C 0.773 178.112 177.300 0.064 0.000 1.183 171 P CA 1.162 64.285 63.100 0.038 0.000 0.763 171 P CB 0.739 32.463 31.700 0.039 0.000 0.807 172 G N 3.065 111.889 108.800 0.039 0.000 2.225 172 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 172 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 172 G C 0.998 175.935 174.900 0.061 0.000 0.988 172 G CA 0.573 45.710 45.100 0.062 0.000 0.625 172 G HN 0.595 nan 8.290 nan 0.000 0.527 173 D N 0.843 121.297 120.400 0.089 0.000 2.084 173 D HA -0.075 4.564 4.640 -0.000 0.000 0.196 173 D C 1.986 178.429 176.300 0.238 0.000 0.985 173 D CA 1.530 55.635 54.000 0.175 0.000 0.826 173 D CB -0.577 40.345 40.800 0.203 0.000 0.978 173 D HN 0.442 nan 8.370 nan 0.000 0.456 174 K N 0.362 120.813 120.400 0.085 0.000 2.147 174 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 174 K C 2.170 178.706 176.600 -0.107 0.000 1.049 174 K CA 1.490 57.682 56.287 -0.159 0.000 0.936 174 K CB 0.105 32.374 32.500 -0.385 0.000 0.722 174 K HN 0.372 nan 8.250 nan 0.000 0.446 175 E N -0.685 119.384 120.200 -0.219 0.000 2.250 175 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 175 E C 0.961 177.325 176.600 -0.392 0.000 0.986 175 E CA 1.090 57.238 56.400 -0.420 0.000 0.849 175 E CB -0.044 29.219 29.700 -0.729 0.000 0.797 175 E HN 0.389 nan 8.360 nan 0.000 0.482 176 Y N 0.414 120.759 120.300 0.076 0.000 2.426 176 Y HA 0.256 4.806 4.550 -0.000 0.000 0.249 176 Y C 1.191 177.135 175.900 0.073 0.000 1.103 176 Y CA -1.234 56.905 58.100 0.066 0.000 1.256 176 Y CB 0.199 38.687 38.460 0.046 0.000 1.208 176 Y HN 0.003 nan 8.280 nan 0.000 0.519 177 C N 1.200 120.630 119.300 0.216 0.000 2.352 177 C HA 0.782 5.242 4.460 -0.000 0.000 0.387 177 C C 0.529 175.595 174.990 0.125 0.000 1.294 177 C CA -1.042 58.055 59.018 0.132 0.000 2.137 177 C CB 0.890 28.669 27.740 0.065 0.000 2.146 177 C HN 0.325 nan 8.230 nan 0.000 0.559 178 I N -0.503 120.087 120.570 0.033 0.000 3.239 178 I HA 0.856 5.026 4.170 -0.000 0.000 0.314 178 I C -0.225 175.835 176.117 -0.096 0.000 1.126 178 I CA -0.229 61.084 61.300 0.021 0.000 0.973 178 I CB 2.005 40.009 38.000 0.008 0.000 1.252 178 I HN 0.724 nan 8.210 nan 0.000 0.463 179 S N 0.217 115.865 115.700 -0.088 0.000 2.851 179 S HA 0.397 4.867 4.470 -0.000 0.000 0.317 179 S C 0.945 175.469 174.600 -0.128 0.000 1.144 179 S CA 0.112 58.222 58.200 -0.150 0.000 0.862 179 S CB 1.000 64.112 63.200 -0.146 0.000 1.259 179 S HN 1.006 nan 8.310 nan 0.000 0.564 180 S N 0.594 116.216 115.700 -0.129 0.000 2.370 180 S HA -0.181 4.289 4.470 -0.000 0.000 0.226 180 S C 1.126 175.668 174.600 -0.097 0.000 1.033 180 S CA 1.839 59.938 58.200 -0.168 0.000 1.011 180 S CB -1.272 61.909 63.200 -0.032 0.000 0.852 180 S HN 0.702 nan 8.310 nan 0.000 0.457 181 D N 2.042 122.447 120.400 0.009 0.000 2.158 181 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 181 D C 1.602 177.956 176.300 0.090 0.000 0.995 181 D CA 1.529 55.555 54.000 0.043 0.000 0.846 181 D CB -0.385 40.602 40.800 0.310 0.000 0.941 181 D HN 0.604 nan 8.370 nan 0.000 0.456 182 D N -0.466 119.979 120.400 0.075 0.000 2.262 182 D HA -0.042 4.597 4.640 -0.000 0.000 0.212 182 D C 2.216 178.519 176.300 0.005 0.000 0.964 182 D CA -0.090 53.965 54.000 0.091 0.000 0.875 182 D CB -0.010 40.845 40.800 0.093 0.000 0.996 182 D HN 0.091 nan 8.370 nan 0.000 0.497 183 L N 1.035 122.172 121.223 -0.143 0.000 1.997 183 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 183 L C 1.677 178.504 176.870 -0.071 0.000 1.074 183 L CA 1.725 56.441 54.840 -0.207 0.000 0.763 183 L CB -0.930 40.843 42.059 -0.477 0.000 0.890 183 L HN -0.125 nan 8.230 nan 0.000 0.434 184 F N -0.546 119.461 119.950 0.096 0.000 2.773 184 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 184 F C 1.784 177.606 175.800 0.037 0.000 1.204 184 F CA 0.788 58.810 58.000 0.035 0.000 1.454 184 F CB -0.805 38.156 39.000 -0.065 0.000 1.117 184 F HN 0.175 nan 8.300 nan 0.000 0.590 185 S N -1.272 114.559 115.700 0.218 0.000 2.847 185 S HA 0.228 4.697 4.470 -0.000 0.000 0.254 185 S C 0.300 175.006 174.600 0.176 0.000 1.039 185 S CA -0.460 57.850 58.200 0.183 0.000 1.113 185 S CB 0.056 63.364 63.200 0.180 0.000 1.092 185 S HN 0.053 nan 8.310 nan 0.000 0.620 186 L N 3.420 124.759 121.223 0.193 0.000 2.640 186 L HA 0.040 4.380 4.340 -0.000 0.000 0.280 186 L C -1.782 175.120 176.870 0.053 0.000 1.229 186 L CA -0.434 54.395 54.840 -0.017 0.000 0.919 186 L CB 0.718 42.628 42.059 -0.248 0.000 1.168 186 L HN 0.068 nan 8.230 nan 0.000 0.496 187 P HA 0.013 nan 4.420 nan 0.000 0.249 187 P C -1.268 176.114 177.300 0.136 0.000 1.241 187 P CA 0.628 63.787 63.100 0.099 0.000 0.781 187 P CB 0.040 31.843 31.700 0.173 0.000 1.088 188 Y N -4.525 115.796 120.300 0.035 0.000 2.638 188 Y HA 0.485 5.035 4.550 -0.000 0.000 0.335 188 Y C -0.692 174.883 175.900 -0.542 0.000 1.155 188 Y CA -2.329 55.711 58.100 -0.100 0.000 1.046 188 Y CB 0.046 38.461 38.460 -0.075 0.000 1.303 188 Y HN -0.311 nan 8.280 nan 0.000 0.460 189 C N 3.983 123.095 119.300 -0.313 0.000 2.629 189 C HA 0.323 4.783 4.460 -0.000 0.000 0.410 189 C C -1.157 173.592 174.990 -0.402 0.000 1.339 189 C CA -1.283 57.351 59.018 -0.640 0.000 1.810 189 C CB 0.001 27.690 27.740 -0.085 0.000 2.549 189 C HN 0.791 nan 8.230 nan 0.000 0.589 190 P HA 0.118 nan 4.420 nan 0.000 0.219 190 P C 0.971 178.220 177.300 -0.085 0.000 1.146 190 P CA 2.144 65.062 63.100 -0.305 0.000 0.808 190 P CB -0.181 31.284 31.700 -0.391 0.000 0.779 191 G N -0.411 108.345 108.800 -0.073 0.000 2.698 191 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.233 191 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.233 191 G C -0.474 174.436 174.900 0.016 0.000 1.352 191 G CA -0.364 44.733 45.100 -0.006 0.000 0.879 191 G HN 0.456 nan 8.290 nan 0.000 0.567 192 K N 0.460 120.887 120.400 0.045 0.000 2.466 192 K HA 0.344 4.664 4.320 -0.000 0.000 0.278 192 K C -0.151 176.536 176.600 0.144 0.000 1.048 192 K CA 1.244 57.585 56.287 0.090 0.000 1.088 192 K CB -0.305 32.248 32.500 0.088 0.000 0.884 192 K HN 0.609 nan 8.250 nan 0.000 0.478 193 T N 4.442 119.058 114.554 0.104 0.000 2.906 193 T HA 0.392 4.742 4.350 -0.000 0.000 0.295 193 T C -1.356 173.257 174.700 -0.146 0.000 1.061 193 T CA -0.823 61.268 62.100 -0.014 0.000 1.000 193 T CB 1.303 70.121 68.868 -0.083 0.000 1.103 193 T HN 0.516 nan 8.240 nan 0.000 0.486 194 L N 2.478 123.406 121.223 -0.491 0.000 2.346 194 L HA 0.858 5.198 4.340 -0.000 0.000 0.276 194 L C -1.375 175.263 176.870 -0.387 0.000 1.006 194 L CA -0.616 53.852 54.840 -0.620 0.000 0.817 194 L CB 1.626 42.859 42.059 -1.376 0.000 1.272 194 L HN 0.465 nan 8.230 nan 0.000 0.421 195 V N 5.485 125.224 119.914 -0.292 0.000 2.444 195 V HA 0.491 4.611 4.120 -0.000 0.000 0.294 195 V C -0.556 175.425 176.094 -0.188 0.000 1.022 195 V CA -0.656 61.504 62.300 -0.233 0.000 0.850 195 V CB 1.936 33.623 31.823 -0.227 0.000 0.992 195 V HN 0.573 nan 8.190 nan 0.000 0.426 196 V N 4.460 124.280 119.914 -0.156 0.000 2.370 196 V HA 0.955 5.075 4.120 -0.000 0.000 0.279 196 V C 0.585 176.633 176.094 -0.077 0.000 1.029 196 V CA 0.500 62.739 62.300 -0.101 0.000 0.870 196 V CB 0.830 32.598 31.823 -0.091 0.000 0.984 196 V HN 1.263 nan 8.190 nan 0.000 0.451 197 G N 3.851 112.628 108.800 -0.038 0.000 2.375 197 G HA2 0.447 4.407 3.960 -0.000 0.000 0.663 197 G HA3 0.447 4.407 3.960 -0.000 0.000 0.663 197 G C -0.285 174.621 174.900 0.009 0.000 1.391 197 G CA -0.042 45.050 45.100 -0.012 0.000 0.949 197 G HN 1.316 nan 8.290 nan 0.000 0.646 198 A N -0.148 122.699 122.820 0.046 0.000 2.603 198 A HA 0.747 5.067 4.320 -0.000 0.000 0.277 198 A C 1.309 178.948 177.584 0.091 0.000 1.158 198 A CA 1.378 53.461 52.037 0.077 0.000 0.962 198 A CB -0.265 18.796 19.000 0.102 0.000 1.189 198 A HN 2.273 nan 8.150 nan 0.000 0.552 199 S N -0.729 115.029 115.700 0.095 0.000 2.566 199 S HA 0.402 4.872 4.470 -0.000 0.000 0.277 199 S C 1.322 176.020 174.600 0.164 0.000 1.150 199 S CA 0.177 58.476 58.200 0.165 0.000 1.032 199 S CB -0.391 62.962 63.200 0.254 0.000 1.157 199 S HN 0.855 nan 8.310 nan 0.000 0.507 200 Y N 0.375 120.681 120.300 0.009 0.000 2.053 200 Y HA -0.095 4.455 4.550 -0.000 0.000 0.277 200 Y C 2.128 178.051 175.900 0.039 0.000 1.159 200 Y CA 1.374 59.474 58.100 -0.000 0.000 1.125 200 Y CB -1.937 36.525 38.460 0.004 0.000 0.969 200 Y HN 0.231 nan 8.280 nan 0.000 0.492 201 V N 1.718 121.322 119.914 -0.517 0.000 2.250 201 V HA -0.397 3.723 4.120 -0.000 0.000 0.250 201 V C 2.959 178.962 176.094 -0.152 0.000 1.060 201 V CA 2.594 64.686 62.300 -0.346 0.000 1.030 201 V CB -1.890 29.712 31.823 -0.368 0.000 0.643 201 V HN 0.715 nan 8.190 nan 0.000 0.445 202 A N -0.032 122.716 122.820 -0.122 0.000 1.849 202 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 202 A C 2.240 179.768 177.584 -0.094 0.000 1.202 202 A CA 2.371 54.344 52.037 -0.106 0.000 0.629 202 A CB -0.745 18.214 19.000 -0.068 0.000 0.834 202 A HN 0.505 nan 8.150 nan 0.000 0.447 203 L N -0.880 120.329 121.223 -0.023 0.000 2.042 203 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 203 L C 2.694 179.561 176.870 -0.004 0.000 1.076 203 L CA 1.780 56.627 54.840 0.010 0.000 0.749 203 L CB -0.791 41.316 42.059 0.080 0.000 0.893 203 L HN 0.512 nan 8.230 nan 0.000 0.432 204 E N -0.517 119.698 120.200 0.026 0.000 2.058 204 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 204 E C 2.340 178.880 176.600 -0.100 0.000 0.997 204 E CA 1.792 58.237 56.400 0.076 0.000 0.801 204 E CB -0.226 29.578 29.700 0.174 0.000 0.746 204 E HN 0.540 nan 8.360 nan 0.000 0.450 205 C N 0.524 119.665 119.300 -0.264 0.000 2.432 205 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 205 C C 2.947 177.458 174.990 -0.797 0.000 1.249 205 C CA 0.834 59.383 59.018 -0.780 0.000 1.725 205 C CB -0.972 26.516 27.740 -0.420 0.000 2.028 205 C HN 0.536 nan 8.230 nan 0.000 0.477 206 A N 0.722 123.307 122.820 -0.391 0.000 1.908 206 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 206 A C 2.353 179.795 177.584 -0.236 0.000 1.181 206 A CA 2.266 54.128 52.037 -0.292 0.000 0.627 206 A CB -1.316 17.547 19.000 -0.228 0.000 0.818 206 A HN 0.569 nan 8.150 nan 0.000 0.445 207 G N 0.106 108.810 108.800 -0.161 0.000 2.480 207 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 207 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 207 G C 1.394 176.313 174.900 0.033 0.000 1.200 207 G CA 1.472 46.566 45.100 -0.009 0.000 0.782 207 G HN 0.825 nan 8.290 nan 0.000 0.554 208 F N 0.376 120.404 119.950 0.129 0.000 2.259 208 F HA 0.191 4.718 4.527 -0.000 0.000 0.298 208 F C 2.108 177.947 175.800 0.066 0.000 1.088 208 F CA 0.120 58.185 58.000 0.108 0.000 1.358 208 F CB -0.995 38.091 39.000 0.144 0.000 1.040 208 F HN 0.009 nan 8.300 nan 0.000 0.505 209 L N 1.552 122.738 121.223 -0.061 0.000 2.013 209 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 209 L C 2.755 179.677 176.870 0.086 0.000 1.073 209 L CA 1.764 56.666 54.840 0.102 0.000 0.753 209 L CB -1.779 40.222 42.059 -0.096 0.000 0.890 209 L HN 0.373 nan 8.230 nan 0.000 0.432 210 A N -1.042 121.790 122.820 0.020 0.000 1.898 210 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 210 A C 2.364 179.977 177.584 0.048 0.000 1.181 210 A CA 1.447 53.501 52.037 0.029 0.000 0.620 210 A CB -1.211 17.796 19.000 0.013 0.000 0.819 210 A HN 0.452 nan 8.150 nan 0.000 0.442 211 G N -0.643 108.199 108.800 0.070 0.000 2.471 211 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.219 211 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.219 211 G C 1.209 176.105 174.900 -0.007 0.000 1.125 211 G CA 1.024 46.152 45.100 0.046 0.000 0.775 211 G HN 0.385 nan 8.290 nan 0.000 0.548 212 I N 0.568 121.128 120.570 -0.017 0.000 3.428 212 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 212 I C 1.937 178.012 176.117 -0.070 0.000 1.287 212 I CA 0.616 61.801 61.300 -0.193 0.000 1.396 212 I CB 0.193 38.058 38.000 -0.225 0.000 1.062 212 I HN 0.289 nan 8.210 nan 0.000 0.471 213 G N -0.440 108.370 108.800 0.018 0.000 2.175 213 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.182 213 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.182 213 G C 0.313 175.250 174.900 0.063 0.000 1.003 213 G CA -0.131 44.997 45.100 0.048 0.000 0.666 213 G HN 0.235 nan 8.290 nan 0.000 0.506 214 L N 0.800 122.064 121.223 0.067 0.000 2.421 214 L HA 0.481 4.821 4.340 -0.000 0.000 0.263 214 L C 0.283 177.175 176.870 0.037 0.000 1.122 214 L CA -0.882 53.993 54.840 0.058 0.000 0.804 214 L CB 0.714 42.811 42.059 0.063 0.000 1.150 214 L HN 0.078 nan 8.230 nan 0.000 0.457 215 D N 1.751 122.172 120.400 0.035 0.000 2.344 215 D HA 0.240 4.880 4.640 -0.000 0.000 0.253 215 D C -0.861 175.459 176.300 0.034 0.000 1.255 215 D CA -0.012 54.008 54.000 0.033 0.000 0.894 215 D CB 0.809 41.631 40.800 0.036 0.000 1.067 215 D HN 0.067 nan 8.370 nan 0.000 0.492 216 V N 3.404 123.321 119.914 0.005 0.000 2.715 216 V HA 0.544 4.664 4.120 -0.000 0.000 0.310 216 V C 0.344 176.400 176.094 -0.063 0.000 1.054 216 V CA -0.636 61.642 62.300 -0.037 0.000 0.928 216 V CB 2.265 34.037 31.823 -0.086 0.000 1.007 216 V HN 0.544 nan 8.190 nan 0.000 0.437 217 T N 2.652 117.150 114.554 -0.094 0.000 2.916 217 T HA 0.571 4.921 4.350 -0.000 0.000 0.298 217 T C -0.848 173.699 174.700 -0.254 0.000 1.031 217 T CA -0.448 61.577 62.100 -0.126 0.000 0.993 217 T CB 1.879 70.787 68.868 0.066 0.000 1.045 217 T HN 0.334 nan 8.240 nan 0.000 0.454 218 V N 3.881 123.540 119.914 -0.425 0.000 2.417 218 V HA 0.492 4.612 4.120 -0.000 0.000 0.291 218 V C -0.166 175.806 176.094 -0.204 0.000 1.024 218 V CA -0.768 61.284 62.300 -0.412 0.000 0.861 218 V CB 1.608 33.000 31.823 -0.718 0.000 0.985 218 V HN 0.902 nan 8.190 nan 0.000 0.436 219 M N 7.226 126.771 119.600 -0.091 0.000 2.061 219 M HA 0.549 5.029 4.480 -0.000 0.000 0.346 219 M C -0.711 175.621 176.300 0.053 0.000 1.112 219 M CA -0.566 54.747 55.300 0.023 0.000 1.021 219 M CB 1.172 33.798 32.600 0.043 0.000 1.530 219 M HN 0.616 nan 8.290 nan 0.000 0.437 220 V N 4.221 124.197 119.914 0.103 0.000 2.472 220 V HA 0.523 4.643 4.120 -0.000 0.000 0.290 220 V C 0.653 176.809 176.094 0.103 0.000 1.037 220 V CA -0.492 61.872 62.300 0.107 0.000 0.908 220 V CB 1.623 33.532 31.823 0.144 0.000 0.985 220 V HN 1.097 nan 8.190 nan 0.000 0.454 221 R N 3.513 124.068 120.500 0.092 0.000 2.100 221 R HA 0.107 4.447 4.340 -0.000 0.000 0.220 221 R C 1.214 177.563 176.300 0.082 0.000 1.091 221 R CA 1.563 57.721 56.100 0.096 0.000 0.986 221 R CB 0.110 30.460 30.300 0.083 0.000 0.888 221 R HN 0.978 nan 8.270 nan 0.000 0.444 222 S N 0.285 116.029 115.700 0.073 0.000 3.756 222 S HA 0.287 4.756 4.470 -0.000 0.000 0.183 222 S C 0.669 175.303 174.600 0.056 0.000 1.093 222 S CA -0.379 57.857 58.200 0.061 0.000 1.303 222 S CB -0.395 62.842 63.200 0.061 0.000 1.593 222 S HN 0.294 nan 8.310 nan 0.000 0.841 223 I N 0.742 121.348 120.570 0.059 0.000 2.934 223 I HA 0.601 4.771 4.170 -0.000 0.000 0.315 223 I C -0.862 175.298 176.117 0.071 0.000 0.997 223 I CA -1.223 60.110 61.300 0.055 0.000 1.184 223 I CB 0.481 38.516 38.000 0.059 0.000 1.400 223 I HN 0.394 nan 8.210 nan 0.000 0.549 224 L N 3.403 124.662 121.223 0.061 0.000 2.357 224 L HA 0.352 4.692 4.340 -0.000 0.000 0.273 224 L C 0.350 177.272 176.870 0.088 0.000 1.080 224 L CA -0.880 54.005 54.840 0.075 0.000 0.803 224 L CB 0.945 43.036 42.059 0.053 0.000 1.174 224 L HN 0.653 nan 8.230 nan 0.000 0.443 225 L N 1.276 122.557 121.223 0.096 0.000 3.739 225 L HA -0.243 4.097 4.340 -0.000 0.000 0.442 225 L C 0.855 177.875 176.870 0.250 0.000 1.241 225 L CA 0.150 55.057 54.840 0.111 0.000 0.819 225 L CB -1.311 40.720 42.059 -0.046 0.000 1.679 225 L HN 0.708 nan 8.230 nan 0.000 0.889 226 R N 0.703 121.330 120.500 0.212 0.000 2.523 226 R HA 0.160 4.500 4.340 -0.000 0.000 0.281 226 R C 1.429 177.908 176.300 0.297 0.000 0.969 226 R CA 1.496 57.720 56.100 0.207 0.000 1.093 226 R CB 0.207 30.599 30.300 0.154 0.000 0.917 226 R HN 0.498 nan 8.270 nan 0.000 0.408 227 G N 3.120 112.065 108.800 0.242 0.000 2.376 227 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.208 227 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.208 227 G C -0.343 174.632 174.900 0.124 0.000 1.032 227 G CA -0.135 45.056 45.100 0.150 0.000 0.641 227 G HN 0.485 nan 8.290 nan 0.000 0.503 228 F N 1.839 121.863 119.950 0.124 0.000 2.408 228 F HA 0.610 5.137 4.527 -0.000 0.000 0.325 228 F C 0.572 176.471 175.800 0.165 0.000 1.082 228 F CA -1.259 56.849 58.000 0.181 0.000 1.032 228 F CB 0.548 39.715 39.000 0.280 0.000 1.259 228 F HN -0.017 nan 8.300 nan 0.000 0.503 229 D N 1.677 122.334 120.400 0.429 0.000 2.518 229 D HA -0.104 4.536 4.640 -0.000 0.000 0.270 229 D C 1.210 177.582 176.300 0.119 0.000 1.338 229 D CA 0.421 54.546 54.000 0.209 0.000 0.983 229 D CB 0.491 41.341 40.800 0.084 0.000 1.126 229 D HN 0.474 nan 8.370 nan 0.000 0.543 230 Q N 2.861 122.717 119.800 0.094 0.000 2.197 230 Q HA -0.234 4.106 4.340 -0.000 0.000 0.211 230 Q C 1.192 177.194 176.000 0.003 0.000 0.993 230 Q CA 2.136 57.972 55.803 0.054 0.000 0.883 230 Q CB -0.197 28.570 28.738 0.047 0.000 0.916 230 Q HN 0.656 nan 8.270 nan 0.000 0.418 231 D N -1.828 118.567 120.400 -0.008 0.000 2.097 231 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 231 D C 1.587 177.850 176.300 -0.063 0.000 0.984 231 D CA 1.261 55.246 54.000 -0.025 0.000 0.826 231 D CB 0.041 40.843 40.800 0.003 0.000 0.973 231 D HN 0.156 nan 8.370 nan 0.000 0.460 232 M N 0.650 120.192 119.600 -0.097 0.000 2.106 232 M HA -0.137 4.343 4.480 -0.000 0.000 0.259 232 M C 2.397 178.519 176.300 -0.296 0.000 1.068 232 M CA 1.459 56.607 55.300 -0.254 0.000 1.100 232 M CB -1.522 30.755 32.600 -0.538 0.000 1.351 232 M HN 0.133 nan 8.290 nan 0.000 0.404 233 A N 1.014 123.717 122.820 -0.195 0.000 1.883 233 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 233 A C 2.034 179.557 177.584 -0.102 0.000 1.186 233 A CA 1.938 53.897 52.037 -0.130 0.000 0.624 233 A CB -0.802 18.183 19.000 -0.025 0.000 0.822 233 A HN 0.540 nan 8.150 nan 0.000 0.444 234 N N 0.097 118.745 118.700 -0.086 0.000 2.188 234 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 234 N C 1.544 176.997 175.510 -0.096 0.000 1.018 234 N CA 1.235 54.231 53.050 -0.089 0.000 0.858 234 N CB -0.281 38.162 38.487 -0.074 0.000 0.989 234 N HN 0.459 nan 8.380 nan 0.000 0.426 235 K N 1.222 121.560 120.400 -0.104 0.000 2.026 235 K HA -0.022 4.298 4.320 -0.000 0.000 0.208 235 K C 2.216 178.783 176.600 -0.054 0.000 1.048 235 K CA 0.556 56.788 56.287 -0.092 0.000 0.929 235 K CB -0.488 31.931 32.500 -0.135 0.000 0.713 235 K HN 0.235 nan 8.250 nan 0.000 0.439 236 I N 1.015 121.536 120.570 -0.081 0.000 2.151 236 I HA -0.263 3.906 4.170 -0.000 0.000 0.243 236 I C 2.557 178.689 176.117 0.026 0.000 1.080 236 I CA 1.639 62.926 61.300 -0.022 0.000 1.339 236 I CB -0.824 37.141 38.000 -0.058 0.000 1.039 236 I HN 0.277 nan 8.210 nan 0.000 0.409 237 G N 0.168 108.938 108.800 -0.049 0.000 2.459 237 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 237 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 237 G C 1.483 176.285 174.900 -0.164 0.000 1.183 237 G CA 0.728 45.736 45.100 -0.154 0.000 0.776 237 G HN 0.418 nan 8.290 nan 0.000 0.552 238 E N -0.452 119.681 120.200 -0.112 0.000 2.097 238 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 238 E C 2.149 178.774 176.600 0.042 0.000 1.000 238 E CA 1.020 57.382 56.400 -0.064 0.000 0.804 238 E CB -0.350 29.334 29.700 -0.027 0.000 0.740 238 E HN 0.605 nan 8.360 nan 0.000 0.454 239 H N 0.421 119.489 119.070 -0.003 0.000 2.353 239 H HA -0.061 4.495 4.556 -0.000 0.000 0.300 239 H C 2.157 177.551 175.328 0.110 0.000 1.090 239 H CA 1.328 57.406 56.048 0.050 0.000 1.327 239 H CB 0.088 29.843 29.762 -0.012 0.000 1.383 239 H HN 0.154 nan 8.280 nan 0.000 0.508 240 M N 0.225 119.896 119.600 0.117 0.000 2.117 240 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 240 M C 2.368 178.794 176.300 0.210 0.000 1.065 240 M CA 1.619 57.021 55.300 0.171 0.000 1.114 240 M CB -0.281 32.524 32.600 0.342 0.000 1.361 240 M HN 0.299 nan 8.290 nan 0.000 0.408 241 E N 0.854 121.159 120.200 0.175 0.000 2.110 241 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 241 E C 1.637 178.285 176.600 0.079 0.000 0.988 241 E CA 1.248 57.741 56.400 0.154 0.000 0.804 241 E CB 0.112 29.810 29.700 -0.004 0.000 0.745 241 E HN 0.525 nan 8.360 nan 0.000 0.458 242 E N -0.810 119.425 120.200 0.059 0.000 2.268 242 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 242 E C 0.230 176.763 176.600 -0.111 0.000 0.995 242 E CA 0.614 57.011 56.400 -0.005 0.000 0.836 242 E CB 0.071 29.792 29.700 0.034 0.000 0.763 242 E HN 0.368 nan 8.360 nan 0.000 0.491 243 H N -0.842 118.134 119.070 -0.156 0.000 2.476 243 H HA 0.305 4.861 4.556 -0.000 0.000 0.256 243 H C 0.577 175.876 175.328 -0.049 0.000 1.321 243 H CA 0.082 56.052 56.048 -0.131 0.000 1.056 243 H CB 0.516 30.150 29.762 -0.214 0.000 1.643 243 H HN 0.193 nan 8.280 nan 0.000 0.541 244 G N 0.824 109.646 108.800 0.036 0.000 2.179 244 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 244 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 244 G C 0.091 175.021 174.900 0.051 0.000 1.010 244 G CA 0.094 45.214 45.100 0.034 0.000 0.736 244 G HN 0.477 nan 8.290 nan 0.000 0.513 245 I N 0.787 121.411 120.570 0.089 0.000 2.312 245 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 245 I C 0.601 176.769 176.117 0.084 0.000 1.008 245 I CA -0.652 60.675 61.300 0.044 0.000 1.226 245 I CB 1.099 39.119 38.000 0.034 0.000 1.371 245 I HN 0.022 nan 8.210 nan 0.000 0.468 246 K N 6.000 126.402 120.400 0.003 0.000 2.185 246 K HA 0.550 4.869 4.320 -0.000 0.000 0.271 246 K C -1.104 175.472 176.600 -0.039 0.000 1.013 246 K CA -0.239 56.090 56.287 0.071 0.000 0.943 246 K CB 0.940 33.472 32.500 0.052 0.000 0.998 246 K HN 0.221 nan 8.250 nan 0.000 0.468 247 F N 1.400 121.357 119.950 0.012 0.000 2.546 247 F HA 0.485 5.011 4.527 -0.000 0.000 0.320 247 F C -0.063 175.738 175.800 0.001 0.000 1.076 247 F CA -0.930 57.073 58.000 0.006 0.000 0.928 247 F CB 1.357 40.353 39.000 -0.006 0.000 1.189 247 F HN 0.212 nan 8.300 nan 0.000 0.465 248 I N 4.106 124.773 120.570 0.162 0.000 2.411 248 I HA 0.393 4.563 4.170 -0.000 0.000 0.284 248 I C -0.605 175.537 176.117 0.042 0.000 1.012 248 I CA -0.914 60.430 61.300 0.074 0.000 1.119 248 I CB 1.178 39.243 38.000 0.108 0.000 1.261 248 I HN 0.368 nan 8.210 nan 0.000 0.448 249 R N 4.243 124.712 120.500 -0.053 0.000 2.457 249 R HA 0.408 4.748 4.340 -0.000 0.000 0.284 249 R C -0.338 175.872 176.300 -0.151 0.000 1.024 249 R CA -0.881 55.189 56.100 -0.050 0.000 1.025 249 R CB 0.773 31.044 30.300 -0.048 0.000 1.063 249 R HN 0.497 nan 8.270 nan 0.000 0.493 250 Q N 0.610 120.394 119.800 -0.026 0.000 2.448 250 Q HA -0.188 4.152 4.340 -0.000 0.000 0.357 250 Q C -1.472 174.622 176.000 0.156 0.000 1.443 250 Q CA 0.993 56.812 55.803 0.027 0.000 0.996 250 Q CB -0.930 27.797 28.738 -0.019 0.000 1.180 250 Q HN 0.350 nan 8.270 nan 0.000 0.338 251 F N -1.039 118.935 119.950 0.039 0.000 2.665 251 F HA 0.672 5.199 4.527 -0.000 0.000 0.308 251 F C -0.508 175.308 175.800 0.028 0.000 1.112 251 F CA -1.256 56.765 58.000 0.034 0.000 0.972 251 F CB 1.864 40.887 39.000 0.038 0.000 1.295 251 F HN -0.149 nan 8.300 nan 0.000 0.440 252 V N 3.631 123.629 119.914 0.139 0.000 2.623 252 V HA 0.415 4.535 4.120 -0.000 0.000 0.304 252 V C -2.413 173.674 176.094 -0.013 0.000 1.054 252 V CA -2.220 60.115 62.300 0.059 0.000 0.882 252 V CB 2.391 34.244 31.823 0.050 0.000 1.002 252 V HN 0.449 nan 8.190 nan 0.000 0.424 253 P HA 0.067 nan 4.420 nan 0.000 0.264 253 P C 0.768 178.056 177.300 -0.020 0.000 1.183 253 P CA 0.495 63.584 63.100 -0.019 0.000 0.763 253 P CB 0.611 32.308 31.700 -0.006 0.000 0.807 254 T N 0.082 114.618 114.554 -0.029 0.000 2.978 254 T HA 0.187 4.537 4.350 -0.000 0.000 0.248 254 T C 0.213 174.915 174.700 0.003 0.000 1.018 254 T CA 0.101 62.190 62.100 -0.019 0.000 1.026 254 T CB 0.032 68.876 68.868 -0.041 0.000 1.032 254 T HN 0.508 nan 8.240 nan 0.000 0.485 255 K N 0.255 120.662 120.400 0.011 0.000 2.578 255 K HA 0.652 4.971 4.320 -0.000 0.000 0.269 255 K C -1.984 174.646 176.600 0.050 0.000 0.941 255 K CA -1.165 55.142 56.287 0.034 0.000 0.847 255 K CB 1.866 34.383 32.500 0.028 0.000 1.397 255 K HN 0.241 nan 8.250 nan 0.000 0.422 256 I N 1.355 121.976 120.570 0.085 0.000 2.497 256 I HA 0.332 4.502 4.170 -0.000 0.000 0.284 256 I C -1.474 174.734 176.117 0.153 0.000 1.060 256 I CA -0.226 61.137 61.300 0.105 0.000 1.071 256 I CB 1.563 39.629 38.000 0.110 0.000 1.216 256 I HN 0.785 nan 8.210 nan 0.000 0.442 257 E N 6.149 126.395 120.200 0.076 0.000 2.244 257 E HA 0.316 4.666 4.350 -0.000 0.000 0.266 257 E C -1.327 175.185 176.600 -0.147 0.000 0.914 257 E CA -0.937 55.481 56.400 0.029 0.000 0.794 257 E CB 2.102 31.815 29.700 0.022 0.000 1.210 257 E HN 0.558 nan 8.360 nan 0.000 0.414 258 Q N 2.856 122.433 119.800 -0.372 0.000 2.331 258 Q HA 0.214 4.554 4.340 -0.000 0.000 0.257 258 Q C 0.019 175.866 176.000 -0.255 0.000 0.957 258 Q CA -0.144 55.352 55.803 -0.512 0.000 0.923 258 Q CB 0.727 28.843 28.738 -1.036 0.000 1.212 258 Q HN 0.735 nan 8.270 nan 0.000 0.443 259 I N 2.503 122.971 120.570 -0.171 0.000 2.584 259 I HA 0.012 4.182 4.170 -0.000 0.000 0.255 259 I C 0.666 176.720 176.117 -0.104 0.000 1.145 259 I CA 0.818 62.053 61.300 -0.108 0.000 1.462 259 I CB 0.341 38.294 38.000 -0.078 0.000 1.102 259 I HN 0.663 nan 8.210 nan 0.000 0.433 260 E N 0.380 120.507 120.200 -0.122 0.000 2.335 260 E HA 0.567 4.916 4.350 -0.000 0.000 0.280 260 E C -1.237 175.295 176.600 -0.114 0.000 0.918 260 E CA -0.614 55.727 56.400 -0.099 0.000 0.765 260 E CB 1.871 31.526 29.700 -0.076 0.000 1.218 260 E HN 0.097 nan 8.360 nan 0.000 0.425 261 A N 2.174 124.941 122.820 -0.090 0.000 2.246 261 A HA 0.949 5.268 4.320 -0.000 0.000 0.291 261 A C 0.415 177.948 177.584 -0.084 0.000 1.103 261 A CA 0.391 52.381 52.037 -0.078 0.000 0.844 261 A CB 0.854 19.834 19.000 -0.033 0.000 1.136 261 A HN 0.908 nan 8.150 nan 0.000 0.500 262 G N -1.902 106.839 108.800 -0.099 0.000 2.345 262 G HA2 0.455 4.414 3.960 -0.000 0.000 0.310 262 G HA3 0.455 4.414 3.960 -0.000 0.000 0.310 262 G C 0.159 174.908 174.900 -0.252 0.000 1.476 262 G CA 0.509 45.526 45.100 -0.138 0.000 0.978 262 G HN 1.451 nan 8.290 nan 0.000 0.656 263 T N -0.587 113.767 114.554 -0.335 0.000 2.456 263 T HA 0.061 4.411 4.350 -0.000 0.000 0.235 263 T C -1.683 172.404 174.700 -1.022 0.000 1.299 263 T CA 1.350 63.007 62.100 -0.738 0.000 1.429 263 T CB -1.266 67.292 68.868 -0.517 0.000 0.916 263 T HN 0.450 nan 8.240 nan 0.000 0.387 264 P HA 0.347 nan 4.420 nan 0.000 0.268 264 P C 0.324 177.481 177.300 -0.239 0.000 1.282 264 P CA -0.043 62.828 63.100 -0.382 0.000 0.880 264 P CB 0.385 31.995 31.700 -0.150 0.000 0.971 265 G N 3.771 112.452 108.800 -0.199 0.000 2.504 265 G HA2 0.370 4.330 3.960 -0.000 0.000 0.257 265 G HA3 0.370 4.330 3.960 -0.000 0.000 0.257 265 G C -0.465 174.383 174.900 -0.086 0.000 1.451 265 G CA -0.613 44.408 45.100 -0.132 0.000 1.059 265 G HN 0.316 nan 8.290 nan 0.000 0.550 266 R N -0.635 119.812 120.500 -0.088 0.000 2.476 266 R HA 0.396 4.736 4.340 -0.000 0.000 0.305 266 R C -1.593 174.662 176.300 -0.074 0.000 0.965 266 R CA -0.704 55.358 56.100 -0.062 0.000 0.867 266 R CB 1.735 31.995 30.300 -0.066 0.000 1.176 266 R HN 0.120 nan 8.270 nan 0.000 0.447 267 L N 2.887 124.101 121.223 -0.014 0.000 2.334 267 L HA 0.452 4.792 4.340 -0.000 0.000 0.276 267 L C -0.027 176.874 176.870 0.051 0.000 1.014 267 L CA -0.756 54.074 54.840 -0.017 0.000 0.815 267 L CB 1.504 43.579 42.059 0.027 0.000 1.268 267 L HN 0.467 nan 8.230 nan 0.000 0.428 268 K N 2.337 122.749 120.400 0.019 0.000 2.339 268 K HA 0.706 5.026 4.320 -0.000 0.000 0.264 268 K C -1.530 175.118 176.600 0.079 0.000 0.986 268 K CA -0.470 55.845 56.287 0.046 0.000 0.866 268 K CB 1.485 33.984 32.500 -0.001 0.000 1.103 268 K HN 0.326 nan 8.250 nan 0.000 0.441 269 V N 3.661 123.665 119.914 0.150 0.000 2.483 269 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 269 V C -0.278 175.870 176.094 0.091 0.000 1.035 269 V CA -0.522 61.856 62.300 0.129 0.000 0.896 269 V CB 1.738 33.669 31.823 0.180 0.000 0.986 269 V HN 1.041 nan 8.190 nan 0.000 0.447 270 T N 1.566 116.140 114.554 0.034 0.000 2.893 270 T HA 0.928 5.277 4.350 -0.000 0.000 0.291 270 T C -0.500 174.158 174.700 -0.071 0.000 1.028 270 T CA -0.497 61.594 62.100 -0.015 0.000 0.995 270 T CB 2.152 71.002 68.868 -0.030 0.000 1.051 270 T HN 1.088 nan 8.240 nan 0.000 0.470 271 A N 1.620 124.333 122.820 -0.177 0.000 2.530 271 A HA 0.936 5.256 4.320 -0.000 0.000 0.288 271 A C -0.905 176.318 177.584 -0.601 0.000 1.172 271 A CA -1.067 50.785 52.037 -0.310 0.000 0.733 271 A CB 1.917 20.760 19.000 -0.262 0.000 1.320 271 A HN 1.144 nan 8.150 nan 0.000 0.419 272 K N -0.201 119.855 120.400 -0.574 0.000 2.482 272 K HA 0.744 5.063 4.320 -0.000 0.000 0.257 272 K C -0.292 176.111 176.600 -0.329 0.000 0.969 272 K CA -0.131 55.819 56.287 -0.560 0.000 0.842 272 K CB 2.109 34.486 32.500 -0.206 0.000 1.359 272 K HN 0.705 nan 8.250 nan 0.000 0.441 273 S N -0.612 115.139 115.700 0.086 0.000 4.359 273 S HA 0.157 4.627 4.470 -0.000 0.000 0.202 273 S C 0.973 175.689 174.600 0.194 0.000 1.078 273 S CA 0.432 58.844 58.200 0.354 0.000 1.776 273 S CB 0.119 63.725 63.200 0.678 0.000 0.891 273 S HN 0.784 nan 8.310 nan 0.000 0.780 274 T N 0.745 115.408 114.554 0.182 0.000 3.081 274 T HA 0.123 4.473 4.350 -0.000 0.000 0.255 274 T C 0.847 175.605 174.700 0.096 0.000 1.113 274 T CA 0.826 62.989 62.100 0.107 0.000 1.082 274 T CB -0.588 68.326 68.868 0.077 0.000 0.939 274 T HN 0.600 nan 8.240 nan 0.000 0.506 275 N N 0.153 118.932 118.700 0.131 0.000 2.234 275 N HA 0.126 4.866 4.740 -0.000 0.000 0.227 275 N C 0.189 175.752 175.510 0.088 0.000 1.151 275 N CA 0.077 53.187 53.050 0.100 0.000 0.865 275 N CB 0.579 39.121 38.487 0.091 0.000 1.066 275 N HN 0.194 nan 8.380 nan 0.000 0.515 276 S N 0.212 115.959 115.700 0.078 0.000 3.380 276 S HA -0.226 4.244 4.470 -0.000 0.000 0.300 276 S C -0.050 174.577 174.600 0.045 0.000 1.255 276 S CA 1.243 59.471 58.200 0.046 0.000 0.963 276 S CB -1.226 61.994 63.200 0.033 0.000 1.106 276 S HN 0.879 nan 8.310 nan 0.000 0.629 277 E N 1.040 121.289 120.200 0.082 0.000 2.191 277 E HA 0.522 4.872 4.350 -0.000 0.000 0.274 277 E C -0.330 176.274 176.600 0.007 0.000 0.948 277 E CA -0.787 55.658 56.400 0.076 0.000 0.802 277 E CB 1.052 30.834 29.700 0.137 0.000 1.137 277 E HN 0.269 nan 8.360 nan 0.000 0.397 278 E N 3.083 123.260 120.200 -0.037 0.000 2.227 278 E HA 0.301 4.650 4.350 -0.000 0.000 0.268 278 E C -1.516 175.029 176.600 -0.091 0.000 0.907 278 E CA -0.582 55.726 56.400 -0.153 0.000 0.786 278 E CB 1.851 31.481 29.700 -0.117 0.000 1.191 278 E HN 0.599 nan 8.360 nan 0.000 0.411 279 T N 1.125 115.581 114.554 -0.163 0.000 2.841 279 T HA 0.498 4.848 4.350 -0.000 0.000 0.285 279 T C 0.698 175.389 174.700 -0.016 0.000 0.991 279 T CA -0.942 61.151 62.100 -0.010 0.000 0.966 279 T CB 0.314 69.274 68.868 0.153 0.000 0.962 279 T HN 0.507 nan 8.240 nan 0.000 0.438 280 I N -0.026 120.548 120.570 0.007 0.000 2.213 280 I HA 0.346 4.516 4.170 -0.000 0.000 0.295 280 I C 0.112 176.242 176.117 0.021 0.000 1.172 280 I CA -0.726 60.578 61.300 0.008 0.000 1.443 280 I CB -0.107 37.890 38.000 -0.005 0.000 1.491 280 I HN 0.473 nan 8.210 nan 0.000 0.652 281 E N 5.257 125.497 120.200 0.067 0.000 3.072 281 E HA -0.125 4.225 4.350 -0.000 0.000 0.241 281 E C -0.037 176.532 176.600 -0.052 0.000 0.962 281 E CA 0.607 57.064 56.400 0.096 0.000 0.955 281 E CB -0.007 29.888 29.700 0.326 0.000 0.899 281 E HN 0.675 nan 8.360 nan 0.000 0.547 282 D N 3.378 123.672 120.400 -0.176 0.000 2.730 282 D HA -0.150 4.490 4.640 -0.000 0.000 0.225 282 D C 0.341 176.335 176.300 -0.510 0.000 1.107 282 D CA 0.376 54.207 54.000 -0.282 0.000 0.837 282 D CB 0.331 40.943 40.800 -0.314 0.000 1.171 282 D HN 0.412 nan 8.370 nan 0.000 0.498 283 E N 0.630 120.661 120.200 -0.282 0.000 2.492 283 E HA 0.141 4.491 4.350 -0.000 0.000 0.266 283 E C -0.518 175.862 176.600 -0.366 0.000 1.047 283 E CA 0.080 56.374 56.400 -0.177 0.000 0.968 283 E CB 0.106 29.757 29.700 -0.082 0.000 0.960 283 E HN 0.364 nan 8.360 nan 0.000 0.452 284 F N -0.176 119.753 119.950 -0.035 0.000 2.679 284 F HA 0.356 4.883 4.527 -0.000 0.000 0.341 284 F C 1.044 176.819 175.800 -0.042 0.000 1.095 284 F CA -1.485 56.493 58.000 -0.036 0.000 1.004 284 F CB 0.304 39.283 39.000 -0.034 0.000 1.388 284 F HN 0.247 nan 8.300 nan 0.000 0.505 285 N N -1.017 117.786 118.700 0.171 0.000 2.402 285 N HA 0.089 4.829 4.740 -0.000 0.000 0.174 285 N C -0.152 175.393 175.510 0.059 0.000 1.027 285 N CA 0.793 53.882 53.050 0.066 0.000 0.891 285 N CB 0.288 38.794 38.487 0.032 0.000 1.016 285 N HN 0.472 nan 8.380 nan 0.000 0.439 286 T N 0.342 114.928 114.554 0.054 0.000 2.912 286 T HA 0.458 4.808 4.350 -0.000 0.000 0.299 286 T C -1.005 173.654 174.700 -0.069 0.000 1.052 286 T CA -0.435 61.672 62.100 0.012 0.000 0.996 286 T CB 2.939 71.796 68.868 -0.018 0.000 1.070 286 T HN -0.370 nan 8.240 nan 0.000 0.465 287 V N 3.978 123.847 119.914 -0.075 0.000 2.376 287 V HA 0.408 4.528 4.120 -0.000 0.000 0.287 287 V C -0.299 175.712 176.094 -0.138 0.000 1.015 287 V CA -0.742 61.462 62.300 -0.159 0.000 0.834 287 V CB 1.481 33.232 31.823 -0.120 0.000 1.001 287 V HN 0.721 nan 8.190 nan 0.000 0.428 288 L N 6.169 127.284 121.223 -0.180 0.000 2.325 288 L HA 0.369 4.709 4.340 -0.000 0.000 0.284 288 L C 0.564 177.326 176.870 -0.180 0.000 1.089 288 L CA -0.099 54.636 54.840 -0.174 0.000 0.836 288 L CB 0.950 42.893 42.059 -0.193 0.000 1.184 288 L HN 0.630 nan 8.230 nan 0.000 0.444 289 L N 4.747 125.856 121.223 -0.191 0.000 2.728 289 L HA 0.216 4.556 4.340 -0.000 0.000 0.235 289 L C 1.093 177.837 176.870 -0.211 0.000 1.197 289 L CA -0.270 54.446 54.840 -0.207 0.000 0.992 289 L CB 0.153 42.040 42.059 -0.287 0.000 1.263 289 L HN 0.679 nan 8.230 nan 0.000 0.484 290 A N 0.408 123.117 122.820 -0.184 0.000 2.540 290 A HA 0.163 4.483 4.320 -0.000 0.000 0.264 290 A C 0.529 178.046 177.584 -0.111 0.000 1.080 290 A CA 0.627 52.573 52.037 -0.152 0.000 0.776 290 A CB 0.213 19.124 19.000 -0.148 0.000 1.011 290 A HN 0.145 nan 8.150 nan 0.000 0.514 291 V N 2.638 122.500 119.914 -0.086 0.000 3.374 291 V HA 0.560 4.680 4.120 -0.000 0.000 0.486 291 V C 0.319 176.412 176.094 -0.002 0.000 1.595 291 V CA 1.012 63.288 62.300 -0.039 0.000 1.863 291 V CB -0.215 31.581 31.823 -0.044 0.000 1.242 291 V HN 2.198 nan 8.190 nan 0.000 0.631 292 G N 1.636 110.440 108.800 0.006 0.000 2.362 292 G HA2 0.168 4.128 3.960 -0.000 0.000 0.656 292 G HA3 0.168 4.128 3.960 -0.000 0.000 0.656 292 G C -1.297 173.632 174.900 0.048 0.000 1.376 292 G CA -0.884 44.242 45.100 0.044 0.000 0.971 292 G HN 0.393 nan 8.290 nan 0.000 0.636 293 R N 0.338 120.883 120.500 0.075 0.000 2.725 293 R HA 0.630 4.969 4.340 -0.000 0.000 0.277 293 R C -1.860 174.495 176.300 0.091 0.000 0.987 293 R CA -1.068 55.083 56.100 0.085 0.000 0.901 293 R CB 2.429 32.784 30.300 0.092 0.000 1.207 293 R HN 0.476 nan 8.270 nan 0.000 0.463 294 D N 1.089 121.548 120.400 0.098 0.000 2.391 294 D HA 0.210 4.850 4.640 -0.000 0.000 0.245 294 D C -0.483 175.874 176.300 0.095 0.000 1.069 294 D CA -0.402 53.653 54.000 0.092 0.000 0.831 294 D CB 2.036 42.890 40.800 0.091 0.000 1.204 294 D HN 0.314 nan 8.370 nan 0.000 0.503 295 S N 0.861 116.610 115.700 0.083 0.000 2.537 295 S HA 0.055 4.525 4.470 -0.000 0.000 0.286 295 S C 0.445 175.097 174.600 0.087 0.000 1.299 295 S CA -0.521 57.728 58.200 0.082 0.000 1.067 295 S CB 0.105 63.345 63.200 0.067 0.000 0.864 295 S HN 0.462 nan 8.310 nan 0.000 0.494 296 C N 3.902 123.259 119.300 0.096 0.000 2.365 296 C HA 0.333 4.793 4.460 -0.000 0.000 0.412 296 C C 1.749 176.794 174.990 0.091 0.000 1.023 296 C CA -0.721 58.361 59.018 0.107 0.000 1.287 296 C CB -2.333 25.479 27.740 0.120 0.000 1.675 296 C HN 1.022 nan 8.230 nan 0.000 0.520 297 T N -2.299 112.305 114.554 0.084 0.000 3.087 297 T HA 0.092 4.441 4.350 -0.000 0.000 0.283 297 T C 1.647 176.391 174.700 0.074 0.000 0.956 297 T CA -0.312 61.832 62.100 0.073 0.000 0.894 297 T CB 0.056 68.955 68.868 0.053 0.000 1.160 297 T HN 0.424 nan 8.240 nan 0.000 0.532 298 R N 2.604 123.152 120.500 0.081 0.000 2.075 298 R HA 0.072 4.411 4.340 -0.000 0.000 0.226 298 R C 1.863 178.213 176.300 0.083 0.000 1.114 298 R CA 1.718 57.861 56.100 0.070 0.000 0.972 298 R CB -1.197 29.141 30.300 0.063 0.000 0.869 298 R HN 0.619 nan 8.270 nan 0.000 0.437 299 T N -1.048 113.579 114.554 0.121 0.000 3.275 299 T HA 0.332 4.682 4.350 -0.000 0.000 0.265 299 T C 1.077 175.906 174.700 0.214 0.000 0.978 299 T CA -0.486 61.694 62.100 0.132 0.000 0.923 299 T CB -0.769 68.165 68.868 0.109 0.000 1.126 299 T HN 0.317 nan 8.240 nan 0.000 0.538 300 I N -2.821 117.861 120.570 0.185 0.000 3.762 300 I HA 0.643 4.812 4.170 -0.000 0.000 0.333 300 I C 1.070 177.318 176.117 0.219 0.000 1.566 300 I CA -0.845 60.576 61.300 0.202 0.000 1.129 300 I CB -0.382 37.694 38.000 0.128 0.000 1.218 300 I HN 0.274 nan 8.210 nan 0.000 0.456 301 G N 2.034 110.936 108.800 0.170 0.000 2.273 301 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 301 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 301 G C 0.608 175.588 174.900 0.132 0.000 1.047 301 G CA 0.580 45.775 45.100 0.159 0.000 0.869 301 G HN 0.521 nan 8.290 nan 0.000 0.502 302 L N -0.570 120.695 121.223 0.071 0.000 2.083 302 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 302 L C 2.844 179.649 176.870 -0.110 0.000 1.083 302 L CA 2.139 56.943 54.840 -0.060 0.000 0.752 302 L CB -0.295 41.737 42.059 -0.044 0.000 0.899 302 L HN 0.521 nan 8.230 nan 0.000 0.433 303 E N -0.822 119.349 120.200 -0.048 0.000 2.204 303 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 303 E C 1.823 178.388 176.600 -0.057 0.000 0.990 303 E CA 1.474 57.843 56.400 -0.052 0.000 0.821 303 E CB -1.266 28.421 29.700 -0.022 0.000 0.750 303 E HN 0.492 nan 8.360 nan 0.000 0.477 304 T N -1.714 112.816 114.554 -0.039 0.000 3.163 304 T HA 0.029 4.379 4.350 -0.000 0.000 0.260 304 T C 1.369 176.027 174.700 -0.070 0.000 1.156 304 T CA 0.786 62.873 62.100 -0.021 0.000 1.072 304 T CB -0.268 68.622 68.868 0.037 0.000 0.937 304 T HN 0.155 nan 8.240 nan 0.000 0.528 305 V N -3.186 116.613 119.914 -0.192 0.000 3.502 305 V HA 0.669 4.789 4.120 -0.000 0.000 0.288 305 V C 1.678 177.629 176.094 -0.238 0.000 1.461 305 V CA -0.240 61.897 62.300 -0.272 0.000 1.029 305 V CB -0.486 30.962 31.823 -0.624 0.000 0.843 305 V HN 0.567 nan 8.190 nan 0.000 0.438 306 G N 1.042 109.725 108.800 -0.195 0.000 2.142 306 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.225 306 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.225 306 G C -0.023 174.767 174.900 -0.183 0.000 1.015 306 G CA 0.012 45.023 45.100 -0.148 0.000 0.716 306 G HN 0.603 nan 8.290 nan 0.000 0.508 307 V N 0.848 120.620 119.914 -0.238 0.000 2.488 307 V HA 0.331 4.451 4.120 -0.000 0.000 0.277 307 V C 0.980 176.987 176.094 -0.144 0.000 1.046 307 V CA -0.060 62.103 62.300 -0.228 0.000 0.986 307 V CB 1.328 32.981 31.823 -0.283 0.000 0.989 307 V HN 0.349 nan 8.190 nan 0.000 0.475 308 K N 4.491 124.820 120.400 -0.118 0.000 2.118 308 K HA 0.693 5.013 4.320 -0.000 0.000 0.264 308 K C -0.577 175.982 176.600 -0.067 0.000 1.000 308 K CA -0.413 55.827 56.287 -0.080 0.000 0.929 308 K CB 1.625 34.084 32.500 -0.068 0.000 1.021 308 K HN 0.610 nan 8.250 nan 0.000 0.463 309 I N 1.018 121.561 120.570 -0.046 0.000 2.918 309 I HA 0.149 4.319 4.170 -0.000 0.000 0.301 309 I C -1.485 174.620 176.117 -0.020 0.000 1.312 309 I CA -0.904 60.377 61.300 -0.031 0.000 1.007 309 I CB 2.188 40.174 38.000 -0.023 0.000 1.281 309 I HN 0.549 nan 8.210 nan 0.000 0.440 310 N N 5.269 123.962 118.700 -0.013 0.000 2.406 310 N HA 0.035 4.775 4.740 -0.000 0.000 0.265 310 N C 0.669 176.180 175.510 0.001 0.000 1.203 310 N CA 0.335 53.381 53.050 -0.006 0.000 0.945 310 N CB 0.632 39.117 38.487 -0.003 0.000 1.165 310 N HN 0.482 nan 8.380 nan 0.000 0.485 311 E N 2.212 122.412 120.200 0.000 0.000 2.333 311 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 311 E C 0.899 177.506 176.600 0.012 0.000 1.007 311 E CA 0.599 57.002 56.400 0.006 0.000 0.845 311 E CB 0.315 30.017 29.700 0.003 0.000 0.766 311 E HN 0.531 nan 8.360 nan 0.000 0.507 312 K N 0.974 121.382 120.400 0.013 0.000 2.020 312 K HA -0.019 4.301 4.320 -0.000 0.000 0.206 312 K C 0.856 177.470 176.600 0.024 0.000 1.038 312 K CA 1.046 57.344 56.287 0.018 0.000 0.947 312 K CB -0.279 32.231 32.500 0.016 0.000 0.744 312 K HN 0.177 nan 8.250 nan 0.000 0.442 313 T N -1.084 113.484 114.554 0.024 0.000 2.832 313 T HA 0.381 4.731 4.350 -0.000 0.000 0.313 313 T C 1.000 175.717 174.700 0.029 0.000 1.035 313 T CA -0.354 61.765 62.100 0.031 0.000 0.950 313 T CB 1.131 70.017 68.868 0.030 0.000 0.984 313 T HN 0.261 nan 8.240 nan 0.000 0.486 314 G N 3.243 112.064 108.800 0.035 0.000 2.912 314 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.210 314 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.210 314 G C 0.689 175.606 174.900 0.029 0.000 1.148 314 G CA 0.078 45.197 45.100 0.033 0.000 0.747 314 G HN 0.628 nan 8.290 nan 0.000 0.580 315 K N 0.042 120.457 120.400 0.024 0.000 2.319 315 K HA 0.188 4.508 4.320 -0.000 0.000 0.265 315 K C 0.439 177.041 176.600 0.004 0.000 1.000 315 K CA -0.060 56.238 56.287 0.018 0.000 0.943 315 K CB 1.109 33.618 32.500 0.014 0.000 0.950 315 K HN 0.102 nan 8.250 nan 0.000 0.485 316 I N 4.694 125.264 120.570 -0.001 0.000 2.307 316 I HA 0.161 4.331 4.170 -0.000 0.000 0.289 316 I C -2.091 174.009 176.117 -0.028 0.000 1.021 316 I CA -2.438 58.852 61.300 -0.016 0.000 1.224 316 I CB 1.247 39.240 38.000 -0.012 0.000 1.376 316 I HN 0.158 nan 8.210 nan 0.000 0.470 317 P HA 0.152 nan 4.420 nan 0.000 0.269 317 P C -0.542 176.728 177.300 -0.050 0.000 1.209 317 P CA 0.032 63.105 63.100 -0.045 0.000 0.776 317 P CB 1.014 32.688 31.700 -0.043 0.000 0.876 318 V N -1.327 118.556 119.914 -0.051 0.000 3.258 318 V HA 0.695 4.815 4.120 -0.000 0.000 0.299 318 V C -0.050 176.023 176.094 -0.035 0.000 1.376 318 V CA -0.742 61.533 62.300 -0.041 0.000 1.063 318 V CB 1.281 33.093 31.823 -0.018 0.000 1.103 318 V HN 0.676 nan 8.190 nan 0.000 0.451 319 T N -0.898 113.649 114.554 -0.012 0.000 2.732 319 T HA 0.261 4.611 4.350 -0.000 0.000 0.287 319 T C 0.723 175.431 174.700 0.013 0.000 0.993 319 T CA 0.631 62.731 62.100 0.001 0.000 0.966 319 T CB 0.551 69.431 68.868 0.021 0.000 1.047 319 T HN 1.224 nan 8.240 nan 0.000 0.527 320 D N -1.185 119.228 120.400 0.021 0.000 2.352 320 D HA -0.026 4.614 4.640 -0.000 0.000 0.232 320 D C 0.927 177.276 176.300 0.081 0.000 1.055 320 D CA 0.365 54.388 54.000 0.039 0.000 0.891 320 D CB -0.197 40.625 40.800 0.037 0.000 0.897 320 D HN 0.822 nan 8.370 nan 0.000 0.529 321 E N -0.367 119.887 120.200 0.090 0.000 2.562 321 E HA 0.077 4.427 4.350 -0.000 0.000 0.214 321 E C -0.358 176.340 176.600 0.163 0.000 0.979 321 E CA -0.137 56.330 56.400 0.111 0.000 1.002 321 E CB 0.516 30.280 29.700 0.107 0.000 1.048 321 E HN 0.024 nan 8.360 nan 0.000 0.488 322 E N 0.366 120.665 120.200 0.164 0.000 3.763 322 E HA -0.200 4.150 4.350 -0.000 0.000 0.319 322 E C -0.191 176.615 176.600 0.344 0.000 0.804 322 E CA 0.493 57.018 56.400 0.208 0.000 1.196 322 E CB -1.102 28.719 29.700 0.201 0.000 1.607 322 E HN 0.201 nan 8.360 nan 0.000 0.431 323 Q N 0.986 120.942 119.800 0.260 0.000 2.288 323 Q HA 0.291 4.631 4.340 -0.000 0.000 0.254 323 Q C 0.734 176.633 176.000 -0.167 0.000 0.932 323 Q CA 0.549 56.301 55.803 -0.086 0.000 0.902 323 Q CB 0.793 29.503 28.738 -0.047 0.000 1.203 323 Q HN 0.328 nan 8.270 nan 0.000 0.415 324 T N -0.097 114.278 114.554 -0.300 0.000 2.833 324 T HA 0.056 4.406 4.350 -0.000 0.000 0.312 324 T C 0.986 175.564 174.700 -0.203 0.000 1.085 324 T CA 0.337 62.310 62.100 -0.210 0.000 0.955 324 T CB 0.102 68.826 68.868 -0.240 0.000 1.353 324 T HN 0.819 nan 8.240 nan 0.000 0.544 325 N N -0.857 117.740 118.700 -0.172 0.000 2.459 325 N HA 0.025 4.765 4.740 -0.000 0.000 0.181 325 N C -0.018 175.394 175.510 -0.163 0.000 1.046 325 N CA -0.008 52.959 53.050 -0.138 0.000 0.904 325 N CB -0.095 38.325 38.487 -0.111 0.000 0.964 325 N HN 0.255 nan 8.380 nan 0.000 0.444 326 V N 2.348 122.114 119.914 -0.247 0.000 2.348 326 V HA 0.187 4.307 4.120 -0.000 0.000 0.270 326 V C -1.413 174.478 176.094 -0.340 0.000 1.037 326 V CA -1.489 60.641 62.300 -0.284 0.000 0.872 326 V CB 1.426 32.990 31.823 -0.432 0.000 1.002 326 V HN 0.030 nan 8.190 nan 0.000 0.464 327 P HA -0.168 nan 4.420 nan 0.000 0.220 327 P C 0.840 178.058 177.300 -0.136 0.000 1.144 327 P CA 1.415 64.443 63.100 -0.120 0.000 0.800 327 P CB -0.052 31.671 31.700 0.038 0.000 0.772 328 Y N -2.482 117.727 120.300 -0.152 0.000 2.524 328 Y HA 0.539 5.088 4.550 -0.000 0.000 0.266 328 Y C 0.234 176.086 175.900 -0.079 0.000 1.180 328 Y CA -1.049 57.017 58.100 -0.056 0.000 1.244 328 Y CB -0.515 37.962 38.460 0.028 0.000 1.125 328 Y HN -0.236 nan 8.280 nan 0.000 0.524 329 I N 1.448 121.609 120.570 -0.682 0.000 2.447 329 I HA 0.325 4.495 4.170 -0.000 0.000 0.287 329 I C -1.262 174.549 176.117 -0.509 0.000 1.023 329 I CA -0.857 60.162 61.300 -0.468 0.000 1.083 329 I CB 1.272 38.900 38.000 -0.619 0.000 1.245 329 I HN -0.033 nan 8.210 nan 0.000 0.434 330 Y N 4.209 124.508 120.300 -0.002 0.000 2.567 330 Y HA 0.839 5.389 4.550 -0.000 0.000 0.333 330 Y C 0.355 176.275 175.900 0.033 0.000 1.106 330 Y CA -0.724 57.383 58.100 0.012 0.000 1.157 330 Y CB 1.866 40.349 38.460 0.038 0.000 1.277 330 Y HN 0.539 nan 8.280 nan 0.000 0.490 331 A N 1.373 124.311 122.820 0.197 0.000 2.479 331 A HA 0.876 5.196 4.320 -0.000 0.000 0.296 331 A C -1.946 175.716 177.584 0.130 0.000 1.121 331 A CA -0.665 51.450 52.037 0.130 0.000 0.743 331 A CB 1.572 20.614 19.000 0.070 0.000 1.323 331 A HN 0.502 nan 8.150 nan 0.000 0.415 332 I N -0.485 120.148 120.570 0.105 0.000 2.827 332 I HA 0.692 4.862 4.170 -0.000 0.000 0.298 332 I C 0.597 176.769 176.117 0.091 0.000 1.235 332 I CA 0.884 62.246 61.300 0.103 0.000 1.021 332 I CB 1.580 39.632 38.000 0.086 0.000 1.259 332 I HN 1.957 nan 8.210 nan 0.000 0.427 333 G N 5.562 114.427 108.800 0.108 0.000 2.542 333 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.235 333 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.235 333 G C 0.369 175.325 174.900 0.093 0.000 1.286 333 G CA 0.326 45.483 45.100 0.096 0.000 0.904 333 G HN 0.548 nan 8.290 nan 0.000 0.577 334 D N 0.107 120.557 120.400 0.084 0.000 2.133 334 D HA -0.127 4.512 4.640 -0.000 0.000 0.192 334 D C 2.615 178.957 176.300 0.070 0.000 1.001 334 D CA 1.599 55.649 54.000 0.084 0.000 0.844 334 D CB -0.182 40.673 40.800 0.092 0.000 0.944 334 D HN 0.379 nan 8.370 nan 0.000 0.447 335 I N 0.394 121.004 120.570 0.067 0.000 2.367 335 I HA -0.207 3.962 4.170 -0.000 0.000 0.256 335 I C 0.751 176.892 176.117 0.039 0.000 1.132 335 I CA 0.390 61.723 61.300 0.055 0.000 1.397 335 I CB -1.237 36.797 38.000 0.058 0.000 1.074 335 I HN 0.058 nan 8.210 nan 0.000 0.435 336 L N 1.577 122.822 121.223 0.037 0.000 2.462 336 L HA -0.005 4.335 4.340 -0.000 0.000 0.272 336 L C 1.037 177.895 176.870 -0.019 0.000 1.166 336 L CA 0.415 55.258 54.840 0.005 0.000 0.880 336 L CB -0.447 41.611 42.059 -0.002 0.000 1.142 336 L HN 0.218 nan 8.230 nan 0.000 0.473 337 E N 2.778 122.959 120.200 -0.032 0.000 2.290 337 E HA 0.334 4.683 4.350 -0.000 0.000 0.277 337 E C 1.020 177.581 176.600 -0.064 0.000 1.035 337 E CA 0.632 57.012 56.400 -0.034 0.000 0.873 337 E CB 0.328 30.011 29.700 -0.029 0.000 1.029 337 E HN 0.817 nan 8.360 nan 0.000 0.419 338 G N 4.028 112.797 108.800 -0.052 0.000 2.199 338 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.254 338 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.254 338 G C 0.274 175.113 174.900 -0.102 0.000 0.982 338 G CA 0.489 45.546 45.100 -0.071 0.000 0.632 338 G HN 0.497 nan 8.290 nan 0.000 0.529 339 K N -0.600 119.735 120.400 -0.108 0.000 2.762 339 K HA 0.789 5.109 4.320 -0.000 0.000 0.292 339 K C 0.463 177.072 176.600 0.015 0.000 1.008 339 K CA -0.653 55.565 56.287 -0.114 0.000 1.142 339 K CB 0.119 32.494 32.500 -0.209 0.000 1.490 339 K HN 0.110 nan 8.250 nan 0.000 0.581 340 L N 1.339 122.626 121.223 0.106 0.000 2.334 340 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 340 L C 0.064 176.988 176.870 0.089 0.000 1.020 340 L CA -0.206 54.679 54.840 0.076 0.000 0.812 340 L CB 0.933 43.036 42.059 0.074 0.000 1.264 340 L HN 0.539 nan 8.230 nan 0.000 0.439 341 E N 3.377 123.622 120.200 0.075 0.000 2.069 341 E HA 0.495 4.845 4.350 -0.000 0.000 0.254 341 E C -1.078 175.579 176.600 0.095 0.000 1.088 341 E CA -0.041 56.419 56.400 0.099 0.000 1.017 341 E CB 0.518 30.298 29.700 0.133 0.000 1.226 341 E HN 0.328 nan 8.360 nan 0.000 0.458 342 L N 0.832 122.101 121.223 0.076 0.000 2.455 342 L HA 0.226 4.566 4.340 -0.000 0.000 0.264 342 L C 1.236 178.133 176.870 0.044 0.000 0.968 342 L CA -0.469 54.406 54.840 0.058 0.000 0.827 342 L CB 2.117 44.191 42.059 0.025 0.000 1.317 342 L HN 0.235 nan 8.230 nan 0.000 0.407 343 T N 1.609 116.188 114.554 0.042 0.000 2.570 343 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 343 T C -1.084 173.618 174.700 0.002 0.000 1.071 343 T CA 1.966 64.078 62.100 0.020 0.000 1.172 343 T CB -0.683 68.194 68.868 0.014 0.000 0.864 343 T HN 0.475 nan 8.240 nan 0.000 0.421 344 P HA -0.098 nan 4.420 nan 0.000 0.217 344 P C 1.738 179.011 177.300 -0.045 0.000 1.158 344 P CA 0.837 63.922 63.100 -0.026 0.000 0.887 344 P CB -0.325 31.358 31.700 -0.027 0.000 0.792 345 V N -0.023 119.865 119.914 -0.043 0.000 2.255 345 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 345 V C 2.477 178.544 176.094 -0.046 0.000 1.051 345 V CA 2.418 64.672 62.300 -0.077 0.000 1.018 345 V CB -1.778 30.031 31.823 -0.024 0.000 0.641 345 V HN 0.123 nan 8.190 nan 0.000 0.445 346 A N 0.476 123.301 122.820 0.008 0.000 1.883 346 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 346 A C 2.219 179.802 177.584 -0.002 0.000 1.186 346 A CA 2.347 54.399 52.037 0.025 0.000 0.624 346 A CB -0.704 18.316 19.000 0.033 0.000 0.822 346 A HN 0.713 nan 8.150 nan 0.000 0.444 347 I N -1.471 119.089 120.570 -0.016 0.000 2.315 347 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 347 I C 2.326 178.424 176.117 -0.033 0.000 1.117 347 I CA 2.405 63.692 61.300 -0.021 0.000 1.404 347 I CB -0.331 37.656 38.000 -0.021 0.000 1.071 347 I HN 0.473 nan 8.210 nan 0.000 0.419 348 Q N 1.364 121.129 119.800 -0.057 0.000 2.050 348 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 348 Q C 2.328 178.285 176.000 -0.070 0.000 0.980 348 Q CA 2.315 58.072 55.803 -0.077 0.000 0.840 348 Q CB -0.337 28.329 28.738 -0.120 0.000 0.898 348 Q HN 0.684 nan 8.270 nan 0.000 0.424 349 A N 0.419 123.193 122.820 -0.075 0.000 1.869 349 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 349 A C 2.302 179.888 177.584 0.004 0.000 1.203 349 A CA 2.075 54.100 52.037 -0.020 0.000 0.638 349 A CB -1.775 17.259 19.000 0.056 0.000 0.831 349 A HN 0.630 nan 8.150 nan 0.000 0.450 350 G N -1.108 107.697 108.800 0.008 0.000 2.459 350 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 350 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 350 G C 1.735 176.640 174.900 0.008 0.000 1.183 350 G CA 1.130 46.238 45.100 0.012 0.000 0.776 350 G HN 0.569 nan 8.290 nan 0.000 0.552 351 R N -0.115 120.384 120.500 -0.002 0.000 2.103 351 R HA -0.047 4.293 4.340 -0.000 0.000 0.234 351 R C 2.713 179.022 176.300 0.015 0.000 1.132 351 R CA 1.660 57.762 56.100 0.003 0.000 0.925 351 R CB -0.559 29.733 30.300 -0.012 0.000 0.842 351 R HN 0.386 nan 8.270 nan 0.000 0.430 352 L N 0.795 122.016 121.223 -0.004 0.000 2.043 352 L HA -0.251 4.088 4.340 -0.000 0.000 0.212 352 L C 2.603 179.469 176.870 -0.007 0.000 1.075 352 L CA 0.845 55.683 54.840 -0.003 0.000 0.752 352 L CB -0.625 41.420 42.059 -0.023 0.000 0.891 352 L HN 0.323 nan 8.230 nan 0.000 0.432 353 L N 0.497 121.706 121.223 -0.023 0.000 1.956 353 L HA -0.249 4.090 4.340 -0.000 0.000 0.216 353 L C 2.695 179.521 176.870 -0.073 0.000 1.073 353 L CA 2.324 57.117 54.840 -0.080 0.000 0.762 353 L CB -1.037 40.972 42.059 -0.083 0.000 0.889 353 L HN 0.184 nan 8.230 nan 0.000 0.433 354 A N -1.292 121.542 122.820 0.024 0.000 1.917 354 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 354 A C 2.171 179.876 177.584 0.201 0.000 1.182 354 A CA 1.916 54.049 52.037 0.160 0.000 0.633 354 A CB -0.709 18.411 19.000 0.199 0.000 0.819 354 A HN 0.685 nan 8.150 nan 0.000 0.448 355 Q N -0.538 119.357 119.800 0.159 0.000 2.096 355 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 355 Q C 2.292 178.304 176.000 0.020 0.000 0.982 355 Q CA 1.823 57.728 55.803 0.170 0.000 0.850 355 Q CB -0.328 28.475 28.738 0.108 0.000 0.901 355 Q HN 0.729 nan 8.270 nan 0.000 0.422 356 R N -0.125 120.346 120.500 -0.049 0.000 2.061 356 R HA -0.054 4.286 4.340 -0.000 0.000 0.230 356 R C 2.584 178.763 176.300 -0.201 0.000 1.140 356 R CA 1.012 57.046 56.100 -0.110 0.000 0.940 356 R CB -0.381 29.852 30.300 -0.112 0.000 0.839 356 R HN 0.182 nan 8.270 nan 0.000 0.429 357 L N -0.783 120.248 121.223 -0.320 0.000 1.956 357 L HA -0.236 4.103 4.340 -0.000 0.000 0.216 357 L C 1.837 178.298 176.870 -0.683 0.000 1.073 357 L CA 1.615 56.090 54.840 -0.608 0.000 0.762 357 L CB -0.438 41.027 42.059 -0.990 0.000 0.889 357 L HN 0.289 nan 8.230 nan 0.000 0.433 358 Y N -1.570 118.664 120.300 -0.110 0.000 2.458 358 Y HA 0.241 4.791 4.550 -0.000 0.000 0.256 358 Y C 1.906 177.298 175.900 -0.847 0.000 1.159 358 Y CA 0.215 58.156 58.100 -0.266 0.000 1.261 358 Y CB 0.011 38.481 38.460 0.016 0.000 1.119 358 Y HN 0.038 nan 8.280 nan 0.000 0.524 359 G N -0.834 107.628 108.800 -0.564 0.000 3.324 359 G HA2 0.347 4.307 3.960 -0.000 0.000 0.251 359 G HA3 0.347 4.307 3.960 -0.000 0.000 0.251 359 G C 1.014 175.735 174.900 -0.298 0.000 1.072 359 G CA -0.063 44.609 45.100 -0.713 0.000 0.787 359 G HN 0.384 nan 8.290 nan 0.000 0.537 360 G N 0.336 109.001 108.800 -0.226 0.000 2.372 360 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.297 360 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.297 360 G C 0.248 175.098 174.900 -0.084 0.000 1.005 360 G CA 0.804 45.824 45.100 -0.133 0.000 1.173 360 G HN 1.211 nan 8.290 nan 0.000 0.511 361 S N -1.133 114.525 115.700 -0.069 0.000 2.607 361 S HA 0.819 5.289 4.470 -0.000 0.000 0.303 361 S C 1.014 175.594 174.600 -0.034 0.000 1.086 361 S CA 0.639 58.818 58.200 -0.036 0.000 0.995 361 S CB 1.937 65.129 63.200 -0.014 0.000 1.084 361 S HN 1.353 nan 8.310 nan 0.000 0.507 362 T N 0.075 114.616 114.554 -0.021 0.000 3.182 362 T HA 0.335 4.685 4.350 -0.000 0.000 0.277 362 T C -0.155 174.539 174.700 -0.010 0.000 1.013 362 T CA -0.255 61.835 62.100 -0.017 0.000 0.900 362 T CB -0.389 68.472 68.868 -0.013 0.000 1.098 362 T HN 0.352 nan 8.240 nan 0.000 0.543 363 V N 2.282 122.190 119.914 -0.010 0.000 2.508 363 V HA 0.423 4.543 4.120 -0.000 0.000 0.281 363 V C 0.160 176.251 176.094 -0.005 0.000 1.041 363 V CA -0.448 61.847 62.300 -0.008 0.000 1.016 363 V CB 0.535 32.352 31.823 -0.010 0.000 0.984 363 V HN 0.339 nan 8.190 nan 0.000 0.478 364 K N 2.994 123.397 120.400 0.004 0.000 2.139 364 K HA 0.570 4.890 4.320 -0.000 0.000 0.243 364 K C -0.293 176.308 176.600 0.002 0.000 0.983 364 K CA -0.381 55.919 56.287 0.022 0.000 0.890 364 K CB 1.381 33.912 32.500 0.053 0.000 1.090 364 K HN 0.846 nan 8.250 nan 0.000 0.445 365 C N 0.994 120.295 119.300 0.003 0.000 2.452 365 C HA 0.410 4.870 4.460 -0.000 0.000 0.379 365 C C -0.372 174.539 174.990 -0.132 0.000 1.275 365 C CA -0.537 58.398 59.018 -0.137 0.000 2.056 365 C CB 0.043 27.622 27.740 -0.268 0.000 2.506 365 C HN 0.773 nan 8.230 nan 0.000 0.560 366 D N 3.308 123.604 120.400 -0.174 0.000 2.412 366 D HA 0.262 4.902 4.640 -0.000 0.000 0.224 366 D C -0.350 175.892 176.300 -0.096 0.000 1.093 366 D CA -0.315 53.656 54.000 -0.047 0.000 0.850 366 D CB 0.247 41.029 40.800 -0.031 0.000 1.046 366 D HN 0.669 nan 8.370 nan 0.000 0.507 367 Y N 1.522 121.814 120.300 -0.014 0.000 2.547 367 Y HA 0.211 4.761 4.550 -0.000 0.000 0.325 367 Y C 0.000 175.886 175.900 -0.024 0.000 1.165 367 Y CA -0.520 57.568 58.100 -0.019 0.000 1.300 367 Y CB -0.065 38.385 38.460 -0.015 0.000 1.126 367 Y HN 0.184 nan 8.280 nan 0.000 0.513 368 D N 0.519 120.972 120.400 0.088 0.000 2.168 368 D HA 0.153 4.793 4.640 -0.000 0.000 0.246 368 D C -0.021 176.282 176.300 0.006 0.000 1.050 368 D CA -0.301 53.727 54.000 0.047 0.000 0.857 368 D CB 0.631 41.458 40.800 0.044 0.000 1.169 368 D HN 0.064 nan 8.370 nan 0.000 0.453 369 N N 0.329 119.027 118.700 -0.003 0.000 2.696 369 N HA -0.157 4.583 4.740 -0.000 0.000 0.256 369 N C -0.309 175.170 175.510 -0.052 0.000 1.031 369 N CA 0.422 53.455 53.050 -0.029 0.000 0.730 369 N CB -1.319 37.152 38.487 -0.027 0.000 0.894 369 N HN 0.345 nan 8.380 nan 0.000 0.544 370 V N -0.894 118.989 119.914 -0.052 0.000 2.427 370 V HA 0.690 4.810 4.120 -0.000 0.000 0.286 370 V C -1.622 174.423 176.094 -0.082 0.000 1.034 370 V CA -1.517 60.743 62.300 -0.067 0.000 0.893 370 V CB 1.815 33.603 31.823 -0.058 0.000 0.982 370 V HN 0.056 nan 8.190 nan 0.000 0.452 371 P HA 0.406 nan 4.420 nan 0.000 0.272 371 P C -0.359 176.885 177.300 -0.094 0.000 1.240 371 P CA 0.238 63.278 63.100 -0.100 0.000 0.791 371 P CB 1.361 33.002 31.700 -0.099 0.000 0.978 372 T N -2.011 112.475 114.554 -0.113 0.000 2.886 372 T HA 0.565 4.915 4.350 -0.000 0.000 0.330 372 T C -1.331 173.259 174.700 -0.184 0.000 1.488 372 T CA -0.521 61.514 62.100 -0.108 0.000 1.054 372 T CB 1.281 70.096 68.868 -0.087 0.000 1.348 372 T HN 0.711 nan 8.240 nan 0.000 0.489 373 T N 0.103 114.525 114.554 -0.221 0.000 2.952 373 T HA 0.654 5.003 4.350 -0.000 0.000 0.305 373 T C -1.026 173.373 174.700 -0.501 0.000 1.064 373 T CA -0.667 61.175 62.100 -0.431 0.000 1.008 373 T CB 1.480 70.046 68.868 -0.505 0.000 1.078 373 T HN 0.736 nan 8.240 nan 0.000 0.459 374 V N 4.092 123.736 119.914 -0.449 0.000 2.383 374 V HA 0.392 4.512 4.120 -0.000 0.000 0.275 374 V C -0.291 175.625 176.094 -0.297 0.000 1.036 374 V CA -0.630 61.531 62.300 -0.232 0.000 0.889 374 V CB 0.327 32.087 31.823 -0.105 0.000 0.985 374 V HN 0.909 nan 8.190 nan 0.000 0.459 375 F N 3.475 123.391 119.950 -0.056 0.000 2.752 375 F HA 0.199 4.726 4.527 -0.000 0.000 0.332 375 F C 1.515 177.170 175.800 -0.242 0.000 1.188 375 F CA -0.504 57.331 58.000 -0.276 0.000 1.296 375 F CB -0.419 38.239 39.000 -0.569 0.000 1.526 375 F HN 0.550 nan 8.300 nan 0.000 0.576 376 T N -2.225 112.387 114.554 0.096 0.000 2.754 376 T HA 0.125 4.475 4.350 -0.000 0.000 0.286 376 T C -1.518 173.373 174.700 0.319 0.000 0.997 376 T CA -1.578 60.634 62.100 0.186 0.000 0.982 376 T CB 0.719 69.678 68.868 0.151 0.000 1.027 376 T HN -0.027 nan 8.240 nan 0.000 0.529 377 P HA -0.007 nan 4.420 nan 0.000 0.216 377 P C 0.211 177.678 177.300 0.278 0.000 1.150 377 P CA 0.633 63.915 63.100 0.304 0.000 0.843 377 P CB 0.016 31.833 31.700 0.195 0.000 0.787 378 L N 0.079 121.435 121.223 0.222 0.000 2.277 378 L HA 0.277 4.617 4.340 -0.000 0.000 0.284 378 L C -0.068 176.881 176.870 0.131 0.000 1.028 378 L CA -0.901 54.001 54.840 0.103 0.000 0.835 378 L CB 0.212 42.128 42.059 -0.239 0.000 1.215 378 L HN -0.161 nan 8.230 nan 0.000 0.425 379 E N 3.241 123.548 120.200 0.178 0.000 2.436 379 E HA 0.011 4.361 4.350 -0.000 0.000 0.262 379 E C -1.430 175.246 176.600 0.125 0.000 1.063 379 E CA 0.553 57.019 56.400 0.110 0.000 0.944 379 E CB 0.547 30.309 29.700 0.103 0.000 0.950 379 E HN 0.489 nan 8.360 nan 0.000 0.444 380 Y N 0.912 121.146 120.300 -0.109 0.000 2.322 380 Y HA 0.487 5.036 4.550 -0.000 0.000 0.324 380 Y C -0.514 175.326 175.900 -0.101 0.000 1.027 380 Y CA -1.002 57.054 58.100 -0.073 0.000 1.179 380 Y CB 1.008 39.428 38.460 -0.067 0.000 1.136 380 Y HN 0.475 nan 8.280 nan 0.000 0.449 381 G N 3.028 111.728 108.800 -0.167 0.000 2.432 381 G HA2 0.664 4.624 3.960 -0.000 0.000 0.331 381 G HA3 0.664 4.624 3.960 -0.000 0.000 0.331 381 G C -1.262 173.440 174.900 -0.331 0.000 1.170 381 G CA -0.378 44.540 45.100 -0.304 0.000 0.943 381 G HN 1.338 nan 8.290 nan 0.000 0.483 382 C N -0.917 118.199 119.300 -0.307 0.000 3.283 382 C HA 0.758 5.217 4.460 -0.000 0.000 0.359 382 C C -0.966 173.907 174.990 -0.194 0.000 1.160 382 C CA -1.330 57.507 59.018 -0.302 0.000 1.232 382 C CB 0.850 28.267 27.740 -0.539 0.000 1.571 382 C HN 1.282 nan 8.230 nan 0.000 0.522 383 C N 3.970 123.186 119.300 -0.140 0.000 2.642 383 C HA 0.943 5.403 4.460 -0.000 0.000 0.344 383 C C 0.766 175.710 174.990 -0.077 0.000 1.110 383 C CA 1.944 60.902 59.018 -0.100 0.000 1.298 383 C CB 0.698 28.380 27.740 -0.096 0.000 1.827 383 C HN 3.155 nan 8.230 nan 0.000 0.467 384 G N 4.549 113.309 108.800 -0.066 0.000 2.445 384 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.212 384 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.212 384 G C -1.060 173.853 174.900 0.022 0.000 1.217 384 G CA -0.251 44.842 45.100 -0.012 0.000 1.002 384 G HN 1.019 nan 8.290 nan 0.000 0.574 385 L N 1.369 122.640 121.223 0.080 0.000 2.418 385 L HA 0.529 4.869 4.340 -0.000 0.000 0.265 385 L C 1.484 178.496 176.870 0.238 0.000 1.143 385 L CA -0.059 54.853 54.840 0.120 0.000 0.809 385 L CB 1.442 43.564 42.059 0.104 0.000 1.124 385 L HN 0.941 nan 8.230 nan 0.000 0.456 386 S N -0.027 115.799 115.700 0.209 0.000 2.580 386 S HA 0.067 4.537 4.470 -0.000 0.000 0.274 386 S C 0.825 175.483 174.600 0.096 0.000 1.329 386 S CA -0.598 57.737 58.200 0.224 0.000 1.036 386 S CB 1.569 64.880 63.200 0.185 0.000 0.919 386 S HN 0.773 nan 8.310 nan 0.000 0.515 387 E N 1.712 121.907 120.200 -0.009 0.000 2.048 387 E HA -0.313 4.037 4.350 -0.000 0.000 0.202 387 E C 1.932 178.548 176.600 0.026 0.000 1.021 387 E CA 1.951 58.343 56.400 -0.013 0.000 0.825 387 E CB -0.295 29.369 29.700 -0.060 0.000 0.756 387 E HN 0.875 nan 8.360 nan 0.000 0.454 388 E N 0.693 120.911 120.200 0.032 0.000 2.118 388 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 388 E C 1.987 178.624 176.600 0.062 0.000 0.992 388 E CA 1.399 57.825 56.400 0.044 0.000 0.804 388 E CB -0.353 29.373 29.700 0.043 0.000 0.741 388 E HN 0.070 nan 8.360 nan 0.000 0.458 389 K N 1.064 121.509 120.400 0.075 0.000 2.288 389 K HA 0.097 4.416 4.320 -0.000 0.000 0.201 389 K C 1.904 178.578 176.600 0.122 0.000 1.048 389 K CA 1.132 57.472 56.287 0.088 0.000 0.956 389 K CB -0.440 32.111 32.500 0.084 0.000 0.746 389 K HN 0.244 nan 8.250 nan 0.000 0.461 390 A N 0.021 122.910 122.820 0.115 0.000 1.898 390 A HA -0.061 4.259 4.320 -0.000 0.000 0.214 390 A C 2.118 179.817 177.584 0.192 0.000 1.183 390 A CA 1.484 53.607 52.037 0.144 0.000 0.622 390 A CB -0.765 18.257 19.000 0.035 0.000 0.824 390 A HN 0.156 nan 8.150 nan 0.000 0.444 391 V N -1.773 118.211 119.914 0.117 0.000 2.626 391 V HA -0.189 3.931 4.120 -0.000 0.000 0.252 391 V C 2.024 178.188 176.094 0.117 0.000 1.067 391 V CA 2.358 64.725 62.300 0.112 0.000 1.081 391 V CB -0.864 30.997 31.823 0.064 0.000 0.686 391 V HN 0.635 nan 8.190 nan 0.000 0.468 392 E N 0.913 121.176 120.200 0.104 0.000 2.031 392 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 392 E C 2.326 178.972 176.600 0.076 0.000 0.994 392 E CA 1.718 58.164 56.400 0.076 0.000 0.800 392 E CB -0.130 29.607 29.700 0.063 0.000 0.752 392 E HN 0.693 nan 8.360 nan 0.000 0.447 393 K N -0.946 119.533 120.400 0.131 0.000 2.103 393 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 393 K C 1.189 177.736 176.600 -0.088 0.000 1.052 393 K CA 1.119 57.432 56.287 0.044 0.000 0.945 393 K CB 0.078 32.654 32.500 0.126 0.000 0.722 393 K HN 0.096 nan 8.250 nan 0.000 0.443 394 F N -0.086 119.876 119.950 0.019 0.000 2.706 394 F HA 0.335 4.862 4.527 -0.000 0.000 0.308 394 F C 0.374 176.183 175.800 0.016 0.000 1.095 394 F CA 0.232 58.244 58.000 0.019 0.000 1.244 394 F CB 1.231 40.246 39.000 0.024 0.000 1.063 394 F HN 0.108 nan 8.300 nan 0.000 0.582 395 G N 1.534 110.437 108.800 0.172 0.000 3.307 395 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.686 395 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.686 395 G C 0.591 175.549 174.900 0.096 0.000 0.983 395 G CA -0.059 45.102 45.100 0.102 0.000 0.804 395 G HN 0.084 nan 8.290 nan 0.000 0.531 396 E N 1.467 121.706 120.200 0.064 0.000 2.132 396 E HA -0.273 4.077 4.350 -0.000 0.000 0.218 396 E C 2.364 178.987 176.600 0.039 0.000 1.058 396 E CA 2.391 58.817 56.400 0.043 0.000 0.882 396 E CB -0.122 29.594 29.700 0.027 0.000 0.774 396 E HN 0.770 nan 8.360 nan 0.000 0.467 397 E N 0.382 120.605 120.200 0.038 0.000 2.136 397 E HA -0.216 4.134 4.350 -0.000 0.000 0.202 397 E C 1.576 178.200 176.600 0.041 0.000 1.019 397 E CA 1.298 57.717 56.400 0.033 0.000 0.819 397 E CB -0.632 29.089 29.700 0.035 0.000 0.739 397 E HN 0.389 nan 8.360 nan 0.000 0.458 398 N N 0.155 118.895 118.700 0.067 0.000 2.270 398 N HA 0.095 4.835 4.740 -0.000 0.000 0.198 398 N C -0.077 175.466 175.510 0.055 0.000 1.117 398 N CA 0.050 53.147 53.050 0.078 0.000 0.845 398 N CB 0.533 39.101 38.487 0.135 0.000 0.980 398 N HN 0.102 nan 8.380 nan 0.000 0.486 399 I N 1.062 121.653 120.570 0.035 0.000 2.377 399 I HA 0.149 4.319 4.170 -0.000 0.000 0.293 399 I C 0.041 176.156 176.117 -0.003 0.000 0.987 399 I CA -0.366 60.936 61.300 0.004 0.000 1.185 399 I CB 1.593 39.592 38.000 -0.001 0.000 1.341 399 I HN -0.269 nan 8.210 nan 0.000 0.455 400 E N 5.236 125.447 120.200 0.018 0.000 2.176 400 E HA 0.499 4.849 4.350 -0.000 0.000 0.267 400 E C -1.286 175.340 176.600 0.044 0.000 0.893 400 E CA -0.548 55.848 56.400 -0.007 0.000 0.761 400 E CB 2.383 32.116 29.700 0.054 0.000 1.133 400 E HN 0.169 nan 8.360 nan 0.000 0.409 401 V N 5.015 124.877 119.914 -0.087 0.000 2.326 401 V HA 0.245 4.365 4.120 -0.000 0.000 0.281 401 V C -0.929 175.086 176.094 -0.131 0.000 1.015 401 V CA -0.808 61.474 62.300 -0.031 0.000 0.823 401 V CB 0.120 31.886 31.823 -0.095 0.000 1.009 401 V HN 0.475 nan 8.190 nan 0.000 0.436 402 Y N 4.932 125.177 120.300 -0.092 0.000 2.319 402 Y HA 0.574 5.124 4.550 -0.000 0.000 0.328 402 Y C 0.827 176.717 175.900 -0.016 0.000 1.133 402 Y CA -0.498 57.566 58.100 -0.061 0.000 1.265 402 Y CB 0.482 38.931 38.460 -0.019 0.000 1.218 402 Y HN 0.809 nan 8.280 nan 0.000 0.508 403 H N -1.150 117.964 119.070 0.074 0.000 2.990 403 H HA 0.845 5.401 4.556 -0.000 0.000 0.336 403 H C -1.389 173.996 175.328 0.095 0.000 1.306 403 H CA -1.161 54.898 56.048 0.019 0.000 1.118 403 H CB 2.161 31.998 29.762 0.126 0.000 1.856 403 H HN 0.552 nan 8.280 nan 0.000 0.538 404 S N 0.441 116.225 115.700 0.140 0.000 2.597 404 S HA 0.426 4.896 4.470 -0.000 0.000 0.274 404 S C -2.044 172.751 174.600 0.324 0.000 1.132 404 S CA -0.789 57.509 58.200 0.163 0.000 0.835 404 S CB 1.163 64.417 63.200 0.090 0.000 1.092 404 S HN 0.412 nan 8.310 nan 0.000 0.457 405 F N 2.342 122.363 119.950 0.117 0.000 2.411 405 F HA 0.874 5.401 4.527 -0.000 0.000 0.324 405 F C 0.163 176.138 175.800 0.292 0.000 1.086 405 F CA -0.546 57.554 58.000 0.167 0.000 1.028 405 F CB 1.402 40.391 39.000 -0.019 0.000 1.284 405 F HN 0.627 nan 8.300 nan 0.000 0.501 406 F N -0.953 119.075 119.950 0.130 0.000 2.713 406 F HA 0.521 5.048 4.527 -0.000 0.000 0.311 406 F C -2.126 173.763 175.800 0.149 0.000 1.141 406 F CA -1.799 56.254 58.000 0.089 0.000 0.939 406 F CB 0.980 39.968 39.000 -0.021 0.000 1.325 406 F HN 0.362 nan 8.300 nan 0.000 0.453 407 W N 4.048 125.357 121.300 0.014 0.000 2.453 407 W HA 0.661 5.321 4.660 -0.000 0.000 0.310 407 W C -2.899 173.513 176.519 -0.178 0.000 1.000 407 W CA -3.207 54.057 57.345 -0.135 0.000 1.367 407 W CB 1.312 30.772 29.460 0.001 0.000 1.269 407 W HN 0.326 nan 8.180 nan 0.000 0.418 408 P HA -0.154 nan 4.420 nan 0.000 0.256 408 P C 1.135 178.116 177.300 -0.531 0.000 1.173 408 P CA 0.174 62.913 63.100 -0.601 0.000 0.768 408 P CB 0.439 31.302 31.700 -1.394 0.000 0.758 409 L N 5.353 126.395 121.223 -0.301 0.000 2.064 409 L HA -0.259 4.081 4.340 -0.000 0.000 0.216 409 L C 1.619 178.374 176.870 -0.191 0.000 1.077 409 L CA 2.065 56.754 54.840 -0.251 0.000 0.766 409 L CB -1.206 40.776 42.059 -0.128 0.000 0.890 409 L HN 0.369 nan 8.230 nan 0.000 0.435 410 E N -1.949 118.198 120.200 -0.088 0.000 2.265 410 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 410 E C 1.631 178.413 176.600 0.305 0.000 0.996 410 E CA 1.348 57.830 56.400 0.136 0.000 0.832 410 E CB -0.409 29.389 29.700 0.162 0.000 0.756 410 E HN 0.571 nan 8.360 nan 0.000 0.491 411 W N 0.915 122.083 121.300 -0.220 0.000 3.139 411 W HA 0.113 4.772 4.660 -0.000 0.000 0.260 411 W C 1.972 178.266 176.519 -0.375 0.000 1.312 411 W CA 0.814 58.033 57.345 -0.209 0.000 1.606 411 W CB -1.081 28.295 29.460 -0.140 0.000 1.118 411 W HN 0.172 nan 8.180 nan 0.000 0.675 412 T N -2.631 111.647 114.554 -0.460 0.000 2.732 412 T HA -0.145 4.205 4.350 -0.000 0.000 0.261 412 T C 1.906 176.534 174.700 -0.120 0.000 1.040 412 T CA 1.468 63.230 62.100 -0.564 0.000 1.145 412 T CB -0.891 67.567 68.868 -0.682 0.000 0.866 412 T HN -0.108 nan 8.240 nan 0.000 0.427 413 V N 3.232 123.074 119.914 -0.120 0.000 2.392 413 V HA -0.067 4.053 4.120 -0.000 0.000 0.249 413 V C -0.297 175.760 176.094 -0.061 0.000 1.059 413 V CA 1.908 64.082 62.300 -0.210 0.000 1.051 413 V CB -1.415 29.963 31.823 -0.741 0.000 0.658 413 V HN 0.473 nan 8.190 nan 0.000 0.455 414 P HA 0.028 nan 4.420 nan 0.000 0.231 414 P C 0.627 178.015 177.300 0.146 0.000 1.168 414 P CA 0.794 63.980 63.100 0.143 0.000 0.779 414 P CB 0.060 31.875 31.700 0.193 0.000 0.844 415 S N -0.228 115.589 115.700 0.195 0.000 3.667 415 S HA -0.163 4.306 4.470 -0.000 0.000 0.405 415 S C -0.003 174.807 174.600 0.349 0.000 0.913 415 S CA 0.394 58.785 58.200 0.318 0.000 1.288 415 S CB -1.480 61.851 63.200 0.218 0.000 0.905 415 S HN 0.454 nan 8.310 nan 0.000 0.550 416 R N 0.299 121.082 120.500 0.472 0.000 2.799 416 R HA 0.676 5.016 4.340 -0.000 0.000 0.270 416 R C -0.610 176.019 176.300 0.548 0.000 1.010 416 R CA -0.604 55.708 56.100 0.353 0.000 0.916 416 R CB 0.352 30.739 30.300 0.145 0.000 1.228 416 R HN 0.055 nan 8.270 nan 0.000 0.469 417 D N 0.096 120.711 120.400 0.358 0.000 2.692 417 D HA -0.243 4.397 4.640 -0.000 0.000 0.233 417 D C -0.779 175.789 176.300 0.447 0.000 1.172 417 D CA 1.093 55.338 54.000 0.408 0.000 0.636 417 D CB -0.910 40.126 40.800 0.393 0.000 1.028 417 D HN 0.673 nan 8.370 nan 0.000 0.419 418 N N 0.824 119.543 118.700 0.031 0.000 2.444 418 N HA -0.003 4.737 4.740 -0.000 0.000 0.255 418 N C 0.366 175.727 175.510 -0.248 0.000 1.255 418 N CA -0.437 52.207 53.050 -0.677 0.000 0.933 418 N CB 0.410 37.931 38.487 -1.609 0.000 1.143 418 N HN 0.075 nan 8.380 nan 0.000 0.453 419 N N 1.186 119.765 118.700 -0.202 0.000 2.688 419 N HA -0.176 4.564 4.740 -0.000 0.000 0.258 419 N C -0.520 175.191 175.510 0.334 0.000 1.016 419 N CA 0.662 53.779 53.050 0.113 0.000 0.747 419 N CB -0.238 38.178 38.487 -0.119 0.000 0.895 419 N HN 0.612 nan 8.380 nan 0.000 0.543 420 K N -0.881 119.625 120.400 0.177 0.000 2.485 420 K HA 0.186 4.506 4.320 -0.000 0.000 0.200 420 K C 0.599 177.059 176.600 -0.234 0.000 1.352 420 K CA 0.336 56.666 56.287 0.072 0.000 0.953 420 K CB -0.083 32.514 32.500 0.162 0.000 1.387 420 K HN 0.284 nan 8.250 nan 0.000 0.512 421 C N 2.973 122.026 119.300 -0.413 0.000 2.634 421 C HA 0.231 4.691 4.460 -0.000 0.000 0.418 421 C C 0.293 174.744 174.990 -0.898 0.000 1.373 421 C CA -0.263 58.238 59.018 -0.861 0.000 1.756 421 C CB -1.421 25.270 27.740 -1.748 0.000 2.589 421 C HN 0.309 nan 8.230 nan 0.000 0.602 422 Y N 1.395 121.361 120.300 -0.558 0.000 2.545 422 Y HA 0.709 5.259 4.550 -0.000 0.000 0.348 422 Y C -0.435 175.507 175.900 0.069 0.000 1.002 422 Y CA -1.455 56.402 58.100 -0.406 0.000 1.039 422 Y CB 1.467 39.535 38.460 -0.654 0.000 1.271 422 Y HN 0.813 nan 8.280 nan 0.000 0.467 423 A N 5.896 128.434 122.820 -0.470 0.000 2.429 423 A HA 0.688 5.008 4.320 -0.000 0.000 0.289 423 A C -1.616 175.484 177.584 -0.807 0.000 1.043 423 A CA -0.815 50.829 52.037 -0.655 0.000 0.722 423 A CB 1.111 19.584 19.000 -0.877 0.000 1.243 423 A HN 0.765 nan 8.150 nan 0.000 0.415 424 K N 0.608 120.632 120.400 -0.627 0.000 2.466 424 K HA 0.896 5.216 4.320 -0.000 0.000 0.260 424 K C -1.781 174.770 176.600 -0.081 0.000 1.011 424 K CA -0.832 55.261 56.287 -0.323 0.000 0.871 424 K CB 2.342 34.677 32.500 -0.275 0.000 1.404 424 K HN 0.447 nan 8.250 nan 0.000 0.450 425 V N 1.835 121.770 119.914 0.034 0.000 2.733 425 V HA 0.381 4.501 4.120 -0.000 0.000 0.306 425 V C -1.221 174.942 176.094 0.116 0.000 1.084 425 V CA -0.871 61.500 62.300 0.118 0.000 0.905 425 V CB 1.763 33.665 31.823 0.131 0.000 1.010 425 V HN 0.827 nan 8.190 nan 0.000 0.424 426 I N 4.321 124.954 120.570 0.105 0.000 2.404 426 I HA 0.806 4.976 4.170 -0.000 0.000 0.293 426 I C -0.399 175.737 176.117 0.030 0.000 0.992 426 I CA 0.273 61.614 61.300 0.069 0.000 1.149 426 I CB 1.268 39.289 38.000 0.036 0.000 1.315 426 I HN 0.577 nan 8.210 nan 0.000 0.446 427 C N 5.063 124.389 119.300 0.043 0.000 2.529 427 C HA 0.554 5.014 4.460 -0.000 0.000 0.329 427 C C -0.001 174.943 174.990 -0.077 0.000 1.194 427 C CA -0.522 58.489 59.018 -0.011 0.000 1.779 427 C CB 1.298 29.067 27.740 0.048 0.000 2.322 427 C HN 0.835 nan 8.230 nan 0.000 0.500 428 N N 1.570 120.182 118.700 -0.148 0.000 2.500 428 N HA 0.259 4.999 4.740 -0.000 0.000 0.236 428 N C 0.629 176.124 175.510 -0.026 0.000 1.022 428 N CA -0.245 52.694 53.050 -0.184 0.000 0.935 428 N CB 0.196 38.461 38.487 -0.369 0.000 1.147 428 N HN 0.658 nan 8.380 nan 0.000 0.512 429 L N 2.765 123.999 121.223 0.018 0.000 2.129 429 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 429 L C 1.908 178.812 176.870 0.058 0.000 1.087 429 L CA 1.214 56.083 54.840 0.048 0.000 0.757 429 L CB -0.171 41.918 42.059 0.050 0.000 0.896 429 L HN 0.639 nan 8.230 nan 0.000 0.434 430 K N -1.324 119.126 120.400 0.083 0.000 2.504 430 K HA 0.004 4.324 4.320 -0.000 0.000 0.199 430 K C 0.045 176.701 176.600 0.093 0.000 1.028 430 K CA 0.311 56.654 56.287 0.093 0.000 1.164 430 K CB 0.160 32.727 32.500 0.111 0.000 0.877 430 K HN -0.016 nan 8.250 nan 0.000 0.508 431 D N 1.028 121.472 120.400 0.072 0.000 3.100 431 D HA 0.115 4.755 4.640 -0.000 0.000 0.350 431 D C -0.841 175.478 176.300 0.032 0.000 1.310 431 D CA -0.379 53.658 54.000 0.062 0.000 0.741 431 D CB -0.420 40.431 40.800 0.085 0.000 1.248 431 D HN 0.213 nan 8.370 nan 0.000 0.527 432 N N 1.489 120.207 118.700 0.030 0.000 2.753 432 N HA -0.226 4.514 4.740 -0.000 0.000 0.251 432 N C -0.686 174.829 175.510 0.010 0.000 1.097 432 N CA 1.232 54.293 53.050 0.019 0.000 0.786 432 N CB -0.930 37.565 38.487 0.013 0.000 1.137 432 N HN 0.500 nan 8.380 nan 0.000 0.566 433 E N -1.867 118.341 120.200 0.013 0.000 2.271 433 E HA -0.305 4.045 4.350 -0.000 0.000 0.223 433 E C -0.199 176.383 176.600 -0.030 0.000 1.223 433 E CA 0.546 56.948 56.400 0.004 0.000 0.704 433 E CB -0.598 29.116 29.700 0.023 0.000 1.194 433 E HN 0.366 nan 8.360 nan 0.000 0.375 434 R N 0.487 120.968 120.500 -0.033 0.000 2.449 434 R HA 0.115 4.455 4.340 -0.000 0.000 0.296 434 R C -0.490 175.776 176.300 -0.058 0.000 1.047 434 R CA -0.000 56.078 56.100 -0.037 0.000 1.018 434 R CB 0.680 30.966 30.300 -0.023 0.000 0.962 434 R HN 0.050 nan 8.270 nan 0.000 0.428 435 V N 6.990 126.881 119.914 -0.039 0.000 2.425 435 V HA -0.007 4.113 4.120 -0.000 0.000 0.276 435 V C 0.744 176.825 176.094 -0.022 0.000 1.017 435 V CA 0.229 62.516 62.300 -0.021 0.000 1.062 435 V CB 0.702 32.533 31.823 0.013 0.000 0.997 435 V HN 0.740 nan 8.190 nan 0.000 0.476 436 V N 2.846 122.734 119.914 -0.043 0.000 3.477 436 V HA 0.521 4.641 4.120 -0.000 0.000 0.297 436 V C 0.910 177.014 176.094 0.018 0.000 1.433 436 V CA 0.475 62.746 62.300 -0.049 0.000 1.052 436 V CB 0.160 31.875 31.823 -0.181 0.000 0.895 436 V HN 0.851 nan 8.190 nan 0.000 0.438 437 G N -0.156 108.689 108.800 0.075 0.000 2.719 437 G HA2 0.624 4.584 3.960 -0.000 0.000 0.298 437 G HA3 0.624 4.584 3.960 -0.000 0.000 0.298 437 G C -2.056 172.994 174.900 0.250 0.000 1.411 437 G CA -0.530 44.677 45.100 0.177 0.000 0.991 437 G HN -0.003 nan 8.290 nan 0.000 0.509 438 F N 2.214 122.158 119.950 -0.010 0.000 2.562 438 F HA 0.688 5.215 4.527 -0.000 0.000 0.319 438 F C -1.284 174.419 175.800 -0.160 0.000 1.154 438 F CA -0.727 57.236 58.000 -0.063 0.000 0.931 438 F CB 1.773 40.633 39.000 -0.234 0.000 1.198 438 F HN 0.532 nan 8.300 nan 0.000 0.444 439 H N 4.047 122.787 119.070 -0.548 0.000 2.771 439 H HA 0.722 5.278 4.556 -0.000 0.000 0.361 439 H C -1.387 173.743 175.328 -0.330 0.000 1.108 439 H CA -1.115 54.773 56.048 -0.267 0.000 1.201 439 H CB 2.095 31.884 29.762 0.046 0.000 1.681 439 H HN 0.528 nan 8.280 nan 0.000 0.534 440 V N 3.999 123.920 119.914 0.012 0.000 2.760 440 V HA 0.520 4.640 4.120 -0.000 0.000 0.309 440 V C -1.625 174.612 176.094 0.238 0.000 1.077 440 V CA -0.777 61.580 62.300 0.095 0.000 0.910 440 V CB 1.901 33.807 31.823 0.138 0.000 1.008 440 V HN 0.673 nan 8.190 nan 0.000 0.424 441 L N 7.093 128.433 121.223 0.194 0.000 2.366 441 L HA 0.995 5.335 4.340 -0.000 0.000 0.266 441 L C 0.046 176.972 176.870 0.094 0.000 1.010 441 L CA 0.987 55.912 54.840 0.142 0.000 0.879 441 L CB 0.948 43.025 42.059 0.030 0.000 1.228 441 L HN 1.029 nan 8.230 nan 0.000 0.439 442 G N 3.586 112.472 108.800 0.144 0.000 2.427 442 G HA2 0.397 4.357 3.960 -0.000 0.000 0.306 442 G HA3 0.397 4.357 3.960 -0.000 0.000 0.306 442 G C -3.400 171.610 174.900 0.185 0.000 1.280 442 G CA -0.786 44.380 45.100 0.110 0.000 0.837 442 G HN 0.235 nan 8.290 nan 0.000 0.482 443 P HA 0.265 nan 4.420 nan 0.000 0.274 443 P C -0.218 177.207 177.300 0.207 0.000 1.231 443 P CA -0.175 63.074 63.100 0.248 0.000 0.790 443 P CB 0.434 32.287 31.700 0.256 0.000 0.951 444 N N -0.096 118.735 118.700 0.218 0.000 2.693 444 N HA -0.254 4.486 4.740 -0.000 0.000 0.249 444 N C 1.083 176.690 175.510 0.162 0.000 1.119 444 N CA 1.033 54.197 53.050 0.190 0.000 0.717 444 N CB -1.572 37.005 38.487 0.150 0.000 1.071 444 N HN 0.545 nan 8.380 nan 0.000 0.555 445 A N 0.111 123.016 122.820 0.140 0.000 1.927 445 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 445 A C 2.352 179.972 177.584 0.059 0.000 1.185 445 A CA 2.511 54.605 52.037 0.095 0.000 0.639 445 A CB -0.997 18.020 19.000 0.027 0.000 0.820 445 A HN 0.543 nan 8.150 nan 0.000 0.451 446 G N -0.511 108.306 108.800 0.028 0.000 2.433 446 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 446 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 446 G C 1.331 176.272 174.900 0.069 0.000 1.186 446 G CA 0.951 46.073 45.100 0.037 0.000 0.779 446 G HN 0.542 nan 8.290 nan 0.000 0.543 447 E N 0.498 120.757 120.200 0.098 0.000 2.130 447 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 447 E C 2.764 179.402 176.600 0.064 0.000 0.998 447 E CA 0.867 57.309 56.400 0.070 0.000 0.806 447 E CB -0.757 28.990 29.700 0.078 0.000 0.738 447 E HN 0.323 nan 8.360 nan 0.000 0.459 448 V N 1.433 121.411 119.914 0.107 0.000 2.270 448 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 448 V C 2.393 178.582 176.094 0.158 0.000 1.043 448 V CA 2.250 64.644 62.300 0.157 0.000 1.014 448 V CB -0.731 31.222 31.823 0.217 0.000 0.645 448 V HN 0.299 nan 8.190 nan 0.000 0.447 449 T N -0.800 113.832 114.554 0.130 0.000 2.788 449 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 449 T C 1.841 176.479 174.700 -0.104 0.000 1.044 449 T CA 1.808 63.943 62.100 0.057 0.000 1.139 449 T CB -0.249 68.667 68.868 0.080 0.000 0.867 449 T HN 0.472 nan 8.240 nan 0.000 0.454 450 Q N 1.174 120.931 119.800 -0.072 0.000 2.062 450 Q HA -0.119 4.221 4.340 -0.000 0.000 0.209 450 Q C 2.449 178.340 176.000 -0.182 0.000 0.996 450 Q CA 2.324 58.060 55.803 -0.110 0.000 0.859 450 Q CB -1.073 27.619 28.738 -0.075 0.000 0.920 450 Q HN 0.506 nan 8.270 nan 0.000 0.415 451 G N -0.805 107.864 108.800 -0.218 0.000 2.491 451 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 451 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 451 G C 1.109 175.735 174.900 -0.457 0.000 1.180 451 G CA 1.030 45.923 45.100 -0.345 0.000 0.774 451 G HN 0.428 nan 8.290 nan 0.000 0.562 452 F N 1.804 121.466 119.950 -0.479 0.000 2.171 452 F HA 0.038 4.565 4.527 -0.000 0.000 0.300 452 F C 3.052 178.541 175.800 -0.519 0.000 1.090 452 F CA 0.874 58.485 58.000 -0.649 0.000 1.293 452 F CB -0.392 37.798 39.000 -1.351 0.000 1.013 452 F HN 0.246 nan 8.300 nan 0.000 0.486 453 A N 0.073 122.705 122.820 -0.312 0.000 1.940 453 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 453 A C 2.427 179.907 177.584 -0.174 0.000 1.176 453 A CA 1.869 53.771 52.037 -0.225 0.000 0.631 453 A CB -1.244 17.647 19.000 -0.182 0.000 0.814 453 A HN 0.326 nan 8.150 nan 0.000 0.446 454 A N -0.178 122.531 122.820 -0.186 0.000 1.873 454 A HA 0.194 4.514 4.320 -0.000 0.000 0.215 454 A C 2.537 180.035 177.584 -0.144 0.000 1.186 454 A CA 2.016 53.961 52.037 -0.153 0.000 0.616 454 A CB -1.121 17.783 19.000 -0.161 0.000 0.823 454 A HN 1.114 nan 8.150 nan 0.000 0.442 455 A N -0.058 122.654 122.820 -0.181 0.000 1.917 455 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 455 A C 2.152 179.679 177.584 -0.095 0.000 1.182 455 A CA 1.623 53.576 52.037 -0.141 0.000 0.633 455 A CB -0.695 18.211 19.000 -0.155 0.000 0.819 455 A HN 0.483 nan 8.150 nan 0.000 0.448 456 L N -0.879 120.283 121.223 -0.102 0.000 2.079 456 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 456 L C 2.345 179.181 176.870 -0.057 0.000 1.081 456 L CA 1.501 56.299 54.840 -0.070 0.000 0.752 456 L CB -0.560 41.453 42.059 -0.076 0.000 0.896 456 L HN 0.316 nan 8.230 nan 0.000 0.433 457 K N -0.180 120.178 120.400 -0.070 0.000 2.442 457 K HA -0.108 4.212 4.320 -0.000 0.000 0.198 457 K C 1.476 178.048 176.600 -0.047 0.000 1.044 457 K CA 0.829 57.083 56.287 -0.056 0.000 0.948 457 K CB -0.333 32.128 32.500 -0.066 0.000 0.762 457 K HN 0.459 nan 8.250 nan 0.000 0.472 458 C N 0.088 119.356 119.300 -0.052 0.000 2.881 458 C HA 0.351 4.811 4.460 -0.000 0.000 0.290 458 C C 1.068 176.039 174.990 -0.032 0.000 1.362 458 C CA -0.488 58.504 59.018 -0.043 0.000 1.757 458 C CB -0.736 26.972 27.740 -0.053 0.000 2.265 458 C HN 0.548 nan 8.230 nan 0.000 0.600 459 G N 1.727 110.511 108.800 -0.026 0.000 2.272 459 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.280 459 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.280 459 G C -0.075 174.814 174.900 -0.018 0.000 1.067 459 G CA 0.204 45.294 45.100 -0.016 0.000 0.902 459 G HN 0.677 nan 8.290 nan 0.000 0.500 460 L N 1.852 123.061 121.223 -0.024 0.000 2.640 460 L HA 0.480 4.820 4.340 -0.000 0.000 0.280 460 L C 1.086 177.947 176.870 -0.014 0.000 1.229 460 L CA 1.259 56.089 54.840 -0.017 0.000 0.919 460 L CB 0.273 42.327 42.059 -0.007 0.000 1.168 460 L HN 0.683 nan 8.230 nan 0.000 0.496 461 T N 1.191 115.735 114.554 -0.017 0.000 2.940 461 T HA 0.381 4.731 4.350 -0.000 0.000 0.288 461 T C 0.855 175.529 174.700 -0.043 0.000 1.033 461 T CA -0.589 61.495 62.100 -0.027 0.000 1.033 461 T CB 1.610 70.466 68.868 -0.019 0.000 1.079 461 T HN 0.595 nan 8.240 nan 0.000 0.496 462 K N 0.950 121.302 120.400 -0.081 0.000 2.074 462 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 462 K C 2.386 178.924 176.600 -0.104 0.000 1.048 462 K CA 2.455 58.648 56.287 -0.156 0.000 0.926 462 K CB -0.681 31.655 32.500 -0.274 0.000 0.713 462 K HN 0.870 nan 8.250 nan 0.000 0.444 463 Q N -0.218 119.548 119.800 -0.057 0.000 2.167 463 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 463 Q C 1.920 177.910 176.000 -0.017 0.000 0.970 463 Q CA 1.383 57.170 55.803 -0.028 0.000 0.855 463 Q CB -0.255 28.477 28.738 -0.009 0.000 0.911 463 Q HN 0.462 nan 8.270 nan 0.000 0.438 464 Q N 0.418 120.208 119.800 -0.017 0.000 2.049 464 Q HA -0.100 4.240 4.340 -0.000 0.000 0.198 464 Q C 2.235 178.238 176.000 0.004 0.000 0.971 464 Q CA 1.232 57.030 55.803 -0.008 0.000 0.833 464 Q CB -0.117 28.614 28.738 -0.011 0.000 0.896 464 Q HN 0.350 nan 8.270 nan 0.000 0.434 465 L N 1.689 122.917 121.223 0.009 0.000 2.013 465 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 465 L C 1.663 178.561 176.870 0.047 0.000 1.073 465 L CA 1.954 56.825 54.840 0.052 0.000 0.753 465 L CB -0.491 41.603 42.059 0.060 0.000 0.890 465 L HN 0.160 nan 8.230 nan 0.000 0.432 466 D N -0.919 119.485 120.400 0.008 0.000 2.149 466 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 466 D C 2.309 178.624 176.300 0.024 0.000 0.990 466 D CA 1.607 55.615 54.000 0.014 0.000 0.839 466 D CB -0.086 40.711 40.800 -0.004 0.000 0.948 466 D HN 0.604 nan 8.370 nan 0.000 0.460 467 S N -0.234 115.476 115.700 0.016 0.000 2.481 467 S HA -0.055 4.415 4.470 -0.000 0.000 0.231 467 S C 1.089 175.699 174.600 0.016 0.000 0.996 467 S CA 0.270 58.478 58.200 0.013 0.000 0.942 467 S CB -0.345 62.858 63.200 0.005 0.000 0.768 467 S HN -0.013 nan 8.310 nan 0.000 0.520 468 T N 2.877 117.445 114.554 0.024 0.000 2.918 468 T HA 0.456 4.806 4.350 -0.000 0.000 0.302 468 T C -0.203 174.518 174.700 0.036 0.000 1.045 468 T CA -0.200 61.914 62.100 0.024 0.000 1.114 468 T CB 0.505 69.396 68.868 0.038 0.000 0.965 468 T HN 0.114 nan 8.240 nan 0.000 0.540 469 I N 1.358 121.945 120.570 0.028 0.000 2.577 469 I HA 0.526 4.696 4.170 -0.000 0.000 0.305 469 I C 0.995 177.143 176.117 0.051 0.000 0.986 469 I CA -0.200 61.122 61.300 0.036 0.000 1.189 469 I CB 1.358 39.371 38.000 0.023 0.000 1.355 469 I HN 0.756 nan 8.210 nan 0.000 0.476 470 G N 4.587 113.427 108.800 0.068 0.000 2.477 470 G HA2 0.637 4.597 3.960 -0.000 0.000 0.304 470 G HA3 0.637 4.597 3.960 -0.000 0.000 0.304 470 G C -0.584 174.366 174.900 0.083 0.000 1.175 470 G CA -0.481 44.671 45.100 0.086 0.000 0.907 470 G HN 0.469 nan 8.290 nan 0.000 0.509 471 I N 0.081 120.700 120.570 0.082 0.000 2.353 471 I HA 0.311 4.481 4.170 -0.000 0.000 0.293 471 I C -0.048 176.145 176.117 0.127 0.000 0.992 471 I CA -0.520 60.830 61.300 0.083 0.000 1.268 471 I CB 1.536 39.566 38.000 0.050 0.000 1.387 471 I HN 0.610 nan 8.210 nan 0.000 0.478 472 H N 6.692 125.774 119.070 0.018 0.000 2.637 472 H HA 0.589 5.145 4.556 -0.000 0.000 0.363 472 H C -2.541 172.798 175.328 0.018 0.000 1.131 472 H CA -1.867 54.193 56.048 0.020 0.000 1.183 472 H CB 2.111 31.886 29.762 0.021 0.000 1.637 472 H HN 0.413 nan 8.280 nan 0.000 0.531 473 P HA 0.309 nan 4.420 nan 0.000 0.303 473 P C -1.566 175.659 177.300 -0.124 0.000 1.370 473 P CA -0.518 62.417 63.100 -0.276 0.000 0.854 473 P CB 1.736 33.293 31.700 -0.238 0.000 0.946 474 V N 2.719 122.562 119.914 -0.119 0.000 3.012 474 V HA 0.063 4.183 4.120 -0.000 0.000 0.307 474 V C 1.349 177.412 176.094 -0.053 0.000 1.166 474 V CA -0.567 61.705 62.300 -0.047 0.000 0.974 474 V CB 1.680 33.504 31.823 0.002 0.000 1.040 474 V HN 0.684 nan 8.190 nan 0.000 0.428 475 C N 2.350 121.637 119.300 -0.022 0.000 2.388 475 C HA -0.194 4.265 4.460 -0.000 0.000 0.277 475 C C 2.881 177.796 174.990 -0.124 0.000 1.210 475 C CA 1.876 60.870 59.018 -0.041 0.000 1.743 475 C CB -1.049 26.744 27.740 0.088 0.000 2.047 475 C HN 1.093 nan 8.230 nan 0.000 0.458 476 A N 1.259 124.095 122.820 0.026 0.000 2.009 476 A HA -0.320 4.000 4.320 -0.000 0.000 0.222 476 A C 2.005 179.692 177.584 0.171 0.000 1.175 476 A CA 2.407 54.546 52.037 0.170 0.000 0.651 476 A CB -0.939 18.200 19.000 0.232 0.000 0.815 476 A HN 0.877 nan 8.150 nan 0.000 0.459 477 E N 0.457 120.691 120.200 0.056 0.000 2.219 477 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 477 E C 1.501 178.095 176.600 -0.008 0.000 0.998 477 E CA 1.652 58.088 56.400 0.060 0.000 0.818 477 E CB -0.824 28.901 29.700 0.042 0.000 0.741 477 E HN 0.717 nan 8.360 nan 0.000 0.477 478 I N -0.855 119.597 120.570 -0.197 0.000 2.700 478 I HA -0.106 4.064 4.170 -0.000 0.000 0.261 478 I C 1.626 177.550 176.117 -0.322 0.000 1.219 478 I CA 0.854 61.976 61.300 -0.297 0.000 1.463 478 I CB -0.985 36.705 38.000 -0.517 0.000 1.092 478 I HN -0.040 nan 8.210 nan 0.000 0.452 479 F N 1.022 120.884 119.950 -0.147 0.000 2.407 479 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 479 F C 2.555 178.350 175.800 -0.007 0.000 1.097 479 F CA 1.542 59.470 58.000 -0.121 0.000 1.422 479 F CB -0.679 38.186 39.000 -0.225 0.000 1.067 479 F HN 0.144 nan 8.300 nan 0.000 0.539 480 T N -1.432 113.227 114.554 0.175 0.000 3.148 480 T HA -0.025 4.325 4.350 -0.000 0.000 0.253 480 T C 0.877 175.620 174.700 0.072 0.000 1.134 480 T CA 1.334 63.517 62.100 0.138 0.000 1.051 480 T CB -0.466 68.477 68.868 0.125 0.000 0.959 480 T HN 0.243 nan 8.240 nan 0.000 0.525 481 T N -0.054 114.522 114.554 0.036 0.000 3.884 481 T HA 0.394 4.743 4.350 -0.000 0.000 0.284 481 T C -0.173 174.542 174.700 0.026 0.000 0.961 481 T CA -0.545 61.574 62.100 0.032 0.000 1.071 481 T CB -0.741 68.148 68.868 0.034 0.000 1.121 481 T HN 0.187 nan 8.240 nan 0.000 0.496 482 L N 2.992 124.228 121.223 0.022 0.000 2.433 482 L HA 0.321 4.661 4.340 -0.000 0.000 0.284 482 L C 1.442 178.436 176.870 0.208 0.000 1.120 482 L CA -0.280 54.605 54.840 0.075 0.000 0.879 482 L CB 0.561 42.654 42.059 0.056 0.000 1.232 482 L HN 0.572 nan 8.230 nan 0.000 0.454 483 S N 0.973 116.777 115.700 0.173 0.000 2.506 483 S HA 0.137 4.606 4.470 -0.000 0.000 0.219 483 S C 0.540 175.220 174.600 0.133 0.000 1.031 483 S CA -0.366 57.940 58.200 0.178 0.000 0.911 483 S CB 0.336 63.599 63.200 0.106 0.000 0.812 483 S HN 0.230 nan 8.310 nan 0.000 0.497 484 V N 2.731 122.720 119.914 0.124 0.000 2.567 484 V HA 0.607 4.727 4.120 -0.000 0.000 0.289 484 V C 0.398 176.480 176.094 -0.020 0.000 1.049 484 V CA -0.285 62.059 62.300 0.072 0.000 0.969 484 V CB 1.352 33.254 31.823 0.132 0.000 0.995 484 V HN 0.528 nan 8.190 nan 0.000 0.471 485 T N 2.453 116.908 114.554 -0.166 0.000 2.885 485 T HA 0.363 4.713 4.350 -0.000 0.000 0.285 485 T C 0.808 175.329 174.700 -0.298 0.000 1.019 485 T CA -0.678 61.200 62.100 -0.371 0.000 1.010 485 T CB 1.507 70.068 68.868 -0.512 0.000 1.022 485 T HN 0.660 nan 8.240 nan 0.000 0.466 486 K N 1.442 121.575 120.400 -0.445 0.000 2.032 486 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 486 K C 2.353 178.853 176.600 -0.166 0.000 1.048 486 K CA 1.765 57.836 56.287 -0.360 0.000 0.927 486 K CB -0.138 32.154 32.500 -0.347 0.000 0.712 486 K HN 0.723 nan 8.250 nan 0.000 0.441 487 R N 0.461 120.861 120.500 -0.166 0.000 2.341 487 R HA -0.086 4.254 4.340 -0.000 0.000 0.213 487 R C 1.472 177.727 176.300 -0.076 0.000 1.082 487 R CA 1.849 57.886 56.100 -0.104 0.000 1.017 487 R CB -0.005 30.234 30.300 -0.101 0.000 0.860 487 R HN 0.167 nan 8.270 nan 0.000 0.473 488 S N -2.029 113.624 115.700 -0.078 0.000 3.265 488 S HA 0.260 4.730 4.470 -0.000 0.000 0.259 488 S C 1.772 176.356 174.600 -0.028 0.000 1.089 488 S CA 0.135 58.306 58.200 -0.048 0.000 0.811 488 S CB -0.440 62.728 63.200 -0.053 0.000 0.858 488 S HN 0.390 nan 8.310 nan 0.000 0.452 489 G N 2.776 111.559 108.800 -0.028 0.000 3.130 489 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.309 489 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.309 489 G C 1.469 176.388 174.900 0.032 0.000 1.284 489 G CA 2.494 47.608 45.100 0.024 0.000 1.295 489 G HN 1.991 nan 8.290 nan 0.000 1.019 490 G N -0.837 107.982 108.800 0.033 0.000 2.545 490 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.240 490 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.240 490 G C -0.489 174.415 174.900 0.005 0.000 1.172 490 G CA 0.794 45.899 45.100 0.009 0.000 0.949 490 G HN 1.134 nan 8.290 nan 0.000 0.574 491 D N 1.029 121.419 120.400 -0.018 0.000 2.225 491 D HA 0.663 5.303 4.640 -0.000 0.000 0.249 491 D C 0.965 177.234 176.300 -0.052 0.000 1.052 491 D CA 0.173 54.138 54.000 -0.059 0.000 0.909 491 D CB 1.049 41.802 40.800 -0.078 0.000 1.186 491 D HN 0.772 nan 8.370 nan 0.000 0.431 492 I N -0.369 120.125 120.570 -0.127 0.000 3.376 492 I HA 0.261 4.431 4.170 -0.000 0.000 0.326 492 I C -0.493 175.509 176.117 -0.191 0.000 1.538 492 I CA -0.390 60.850 61.300 -0.099 0.000 0.989 492 I CB -0.103 37.858 38.000 -0.064 0.000 1.413 492 I HN -0.078 nan 8.210 nan 0.000 0.547 493 L N 0.664 121.747 121.223 -0.234 0.000 2.365 493 L HA 0.517 4.857 4.340 -0.000 0.000 0.267 493 L C 0.365 177.148 176.870 -0.146 0.000 1.033 493 L CA -1.199 53.473 54.840 -0.280 0.000 0.802 493 L CB 0.755 42.615 42.059 -0.332 0.000 1.267 493 L HN 0.409 nan 8.230 nan 0.000 0.457 494 Q N 0.335 120.044 119.800 -0.152 0.000 2.386 494 Q HA -0.205 4.135 4.340 -0.000 0.000 0.371 494 Q C 0.060 176.036 176.000 -0.041 0.000 1.309 494 Q CA 0.797 56.530 55.803 -0.117 0.000 1.175 494 Q CB -1.563 27.078 28.738 -0.163 0.000 1.352 494 Q HN 0.649 nan 8.270 nan 0.000 0.326 495 S N 0.000 115.708 115.700 0.013 0.000 2.498 495 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 495 S CA 0.000 58.225 58.200 0.042 0.000 1.107 495 S CB 0.000 63.243 63.200 0.071 0.000 0.593 495 S HN 0.000 nan 8.310 nan 0.000 0.517