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 1sid_1_E DATA FIRST_RESID 17 DATA SEQUENCE KACPRPAPVP KLLIKGGMEV LDLVTGPDSV TEIEAFLNPR MGQPPTPESL DATA SEQUENCE TEGGQYYGWS RGINLATSDT EDSPGNNTLP TWSMAKLQLP MLNEDLTCDT DATA SEQUENCE LQMWEAVSVK TEVVGSGSLL DVHGFNKPTD TVNTKGISTP VEGSQYHVFA DATA SEQUENCE VGGEPLDLQG LVTDARTKYK EEGVVTIKTI TKKDMVNKDQ VLNPISKAKL DATA SEQUENCE DKDGMYPVEI WHPDPAKNEN TRYFGNYTGG TTTPPVLQFT NTLTTVLLDE DATA SEQUENCE NGVGPLCKGE GLYLSCVDIM GWRVTRNYDV HHWRGLPRYF KITLRKRWVK DATA SEQUENCE NPYPMASLIS SLFNNMLPQV QGQPMEGENT QVEEVRVYDG TEPVPGDPDM DATA SEQUENCE TRYVDRFGKT KTVFPGN 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.601 176.600 0.001 0.000 0.988 17 K CA 0.000 56.288 56.287 0.001 0.000 0.838 17 K CB 0.000 32.501 32.500 0.001 0.000 1.064 18 A N 1.510 124.331 122.820 0.002 0.000 2.362 18 A HA -0.204 4.116 4.320 -0.000 0.000 0.290 18 A C 0.322 177.907 177.584 0.002 0.000 1.441 18 A CA 0.931 52.969 52.037 0.002 0.000 0.743 18 A CB -3.014 15.987 19.000 0.002 0.000 1.125 18 A HN 0.569 nan 8.150 nan 0.000 0.378 19 C N 0.629 119.930 119.300 0.002 0.000 1.279 19 C HA 0.197 4.657 4.460 -0.000 0.000 0.485 19 C C -0.684 174.307 174.990 0.002 0.000 1.403 19 C CA -0.126 58.893 59.018 0.002 0.000 1.738 19 C CB -1.719 26.022 27.740 0.002 0.000 3.179 19 C HN 0.802 nan 8.230 nan 0.000 0.591 20 P HA -0.071 nan 4.420 nan 0.000 0.267 20 P C 0.215 177.517 177.300 0.002 0.000 1.145 20 P CA 0.765 63.866 63.100 0.002 0.000 0.753 20 P CB 0.402 32.103 31.700 0.002 0.000 0.748 21 R N 4.533 125.034 120.500 0.003 0.000 2.399 21 R HA 0.158 4.498 4.340 -0.000 0.000 0.324 21 R C -1.353 174.949 176.300 0.003 0.000 1.030 21 R CA -1.344 54.758 56.100 0.003 0.000 0.984 21 R CB -1.271 29.032 30.300 0.004 0.000 0.961 21 R HN 0.450 nan 8.270 nan 0.000 0.433 22 P HA -0.050 nan 4.420 nan 0.000 0.272 22 P C -0.716 176.586 177.300 0.004 0.000 1.239 22 P CA -0.322 62.780 63.100 0.003 0.000 0.807 22 P CB 0.498 32.200 31.700 0.004 0.000 0.951 23 A N 1.453 124.275 122.820 0.003 0.000 2.492 23 A HA 0.324 4.644 4.320 -0.000 0.000 0.254 23 A C -1.807 175.780 177.584 0.005 0.000 1.091 23 A CA -0.944 51.095 52.037 0.004 0.000 0.768 23 A CB -1.311 17.691 19.000 0.003 0.000 1.028 23 A HN 0.346 nan 8.150 nan 0.000 0.498 24 P HA 0.277 nan 4.420 nan 0.000 0.263 24 P C -0.521 176.784 177.300 0.008 0.000 1.601 24 P CA 0.016 63.120 63.100 0.007 0.000 1.161 24 P CB 0.065 31.770 31.700 0.007 0.000 1.730 25 V N 2.391 122.310 119.914 0.008 0.000 2.834 25 V HA 0.608 4.728 4.120 -0.000 0.000 0.313 25 V C -1.697 174.404 176.094 0.011 0.000 1.060 25 V CA -2.309 59.997 62.300 0.009 0.000 0.989 25 V CB 0.575 32.403 31.823 0.008 0.000 1.041 25 V HN 0.332 nan 8.190 nan 0.000 0.459 26 P HA 0.222 nan 4.420 nan 0.000 0.276 26 P C -0.703 176.607 177.300 0.016 0.000 1.243 26 P CA -0.401 62.708 63.100 0.016 0.000 0.768 26 P CB 0.805 32.516 31.700 0.017 0.000 0.856 27 K N 3.755 124.166 120.400 0.017 0.000 2.419 27 K HA 0.113 4.433 4.320 -0.000 0.000 0.282 27 K C -0.394 176.217 176.600 0.019 0.000 1.056 27 K CA -0.298 55.999 56.287 0.017 0.000 1.035 27 K CB -0.361 32.150 32.500 0.018 0.000 0.921 27 K HN 0.451 nan 8.250 nan 0.000 0.472 28 L N 5.960 127.194 121.223 0.017 0.000 2.290 28 L HA 0.199 4.539 4.340 -0.000 0.000 0.284 28 L C 0.295 177.175 176.870 0.018 0.000 1.078 28 L CA -0.021 54.830 54.840 0.018 0.000 0.815 28 L CB 0.666 42.734 42.059 0.016 0.000 1.162 28 L HN 0.901 nan 8.230 nan 0.000 0.435 29 L N 5.826 127.061 121.223 0.020 0.000 2.168 29 L HA 0.323 4.663 4.340 -0.000 0.000 0.203 29 L C 0.447 177.328 176.870 0.018 0.000 1.078 29 L CA 0.498 55.350 54.840 0.021 0.000 0.780 29 L CB 0.285 42.359 42.059 0.026 0.000 0.939 29 L HN 0.685 nan 8.230 nan 0.000 0.451 30 I N -0.844 119.736 120.570 0.017 0.000 2.721 30 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 30 I C -1.784 174.340 176.117 0.011 0.000 1.674 30 I CA -0.767 60.541 61.300 0.014 0.000 0.993 30 I CB 1.536 39.545 38.000 0.014 0.000 1.448 30 I HN -0.033 nan 8.210 nan 0.000 0.500 31 K N 5.496 125.902 120.400 0.010 0.000 2.328 31 K HA 1.014 5.334 4.320 -0.000 0.000 0.246 31 K C -0.503 176.101 176.600 0.006 0.000 0.955 31 K CA -0.160 56.132 56.287 0.008 0.000 0.817 31 K CB 2.548 35.055 32.500 0.012 0.000 1.208 31 K HN 1.027 nan 8.250 nan 0.000 0.432 32 G N 0.329 109.131 108.800 0.002 0.000 2.404 32 G HA2 0.363 4.323 3.960 -0.000 0.000 0.253 32 G HA3 0.363 4.323 3.960 -0.000 0.000 0.253 32 G C -0.780 174.115 174.900 -0.008 0.000 1.253 32 G CA -0.504 44.596 45.100 0.000 0.000 0.917 32 G HN 0.846 nan 8.290 nan 0.000 0.480 33 G N -1.352 107.440 108.800 -0.012 0.000 2.531 33 G HA2 0.499 4.459 3.960 -0.000 0.000 0.281 33 G HA3 0.499 4.459 3.960 -0.000 0.000 0.281 33 G C 1.344 176.221 174.900 -0.038 0.000 1.382 33 G CA 0.158 45.244 45.100 -0.024 0.000 1.045 33 G HN 0.448 nan 8.290 nan 0.000 0.533 34 M N 0.697 120.267 119.600 -0.051 0.000 2.103 34 M HA -0.153 4.327 4.480 -0.000 0.000 0.255 34 M C 2.614 178.889 176.300 -0.042 0.000 1.074 34 M CA 1.850 57.112 55.300 -0.064 0.000 1.090 34 M CB -1.450 31.107 32.600 -0.072 0.000 1.325 34 M HN 0.816 nan 8.290 nan 0.000 0.403 35 E N 0.539 120.723 120.200 -0.027 0.000 2.172 35 E HA -0.232 4.118 4.350 -0.000 0.000 0.213 35 E C 1.923 178.521 176.600 -0.002 0.000 1.051 35 E CA 2.389 58.782 56.400 -0.011 0.000 0.860 35 E CB -1.601 28.095 29.700 -0.008 0.000 0.755 35 E HN 0.407 nan 8.360 nan 0.000 0.462 36 V N 1.669 121.579 119.914 -0.007 0.000 2.278 36 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 36 V C 2.723 178.826 176.094 0.016 0.000 1.062 36 V CA 2.164 64.466 62.300 0.003 0.000 1.038 36 V CB -0.742 31.078 31.823 -0.004 0.000 0.646 36 V HN 0.135 nan 8.190 nan 0.000 0.447 37 L N 0.320 121.546 121.223 0.005 0.000 2.034 37 L HA -0.262 4.078 4.340 -0.000 0.000 0.217 37 L C 2.152 179.074 176.870 0.087 0.000 1.077 37 L CA 2.228 57.092 54.840 0.041 0.000 0.769 37 L CB -1.731 40.327 42.059 -0.001 0.000 0.890 37 L HN 0.391 nan 8.230 nan 0.000 0.435 38 D N -0.067 120.368 120.400 0.057 0.000 2.137 38 D HA -0.151 4.489 4.640 -0.000 0.000 0.189 38 D C 0.793 177.124 176.300 0.052 0.000 0.998 38 D CA 1.242 55.276 54.000 0.056 0.000 0.839 38 D CB -0.657 40.163 40.800 0.032 0.000 0.962 38 D HN 0.313 nan 8.370 nan 0.000 0.446 39 L N -0.010 121.237 121.223 0.039 0.000 2.540 39 L HA 0.105 4.445 4.340 -0.000 0.000 0.276 39 L C -0.078 176.818 176.870 0.044 0.000 1.212 39 L CA -0.931 53.930 54.840 0.034 0.000 0.893 39 L CB -0.586 41.489 42.059 0.026 0.000 1.138 39 L HN -0.170 nan 8.230 nan 0.000 0.491 40 V N 3.610 123.546 119.914 0.036 0.000 2.982 40 V HA -0.221 3.899 4.120 -0.000 0.000 0.290 40 V C 1.589 177.710 176.094 0.045 0.000 1.233 40 V CA 1.397 63.718 62.300 0.035 0.000 1.336 40 V CB -1.067 30.771 31.823 0.025 0.000 0.813 40 V HN 1.153 nan 8.190 nan 0.000 0.460 41 T N 2.176 116.765 114.554 0.057 0.000 2.914 41 T HA 0.535 4.885 4.350 -0.000 0.000 0.240 41 T C 0.973 175.701 174.700 0.047 0.000 1.025 41 T CA 0.613 62.758 62.100 0.075 0.000 1.198 41 T CB 0.254 69.210 68.868 0.147 0.000 0.892 41 T HN 1.427 nan 8.240 nan 0.000 0.417 42 G N 1.385 110.201 108.800 0.025 0.000 2.439 42 G HA2 0.335 4.295 3.960 -0.000 0.000 0.186 42 G HA3 0.335 4.295 3.960 -0.000 0.000 0.186 42 G C -2.472 172.420 174.900 -0.012 0.000 1.260 42 G CA -0.022 45.087 45.100 0.015 0.000 1.020 42 G HN 0.288 nan 8.290 nan 0.000 0.470 43 P HA 0.257 nan 4.420 nan 0.000 0.188 43 P C -0.090 177.178 177.300 -0.053 0.000 1.011 43 P CA 1.364 64.450 63.100 -0.023 0.000 0.951 43 P CB 0.475 32.198 31.700 0.038 0.000 0.753 44 D N 0.310 120.709 120.400 -0.002 0.000 3.058 44 D HA 0.202 4.842 4.640 -0.000 0.000 0.272 44 D C 0.202 176.518 176.300 0.027 0.000 1.350 44 D CA -0.433 53.569 54.000 0.004 0.000 0.863 44 D CB -0.549 40.269 40.800 0.029 0.000 1.064 44 D HN 0.072 nan 8.370 nan 0.000 0.488 45 S N -0.893 114.827 115.700 0.033 0.000 2.681 45 S HA 0.714 5.184 4.470 -0.000 0.000 0.270 45 S C 0.182 174.839 174.600 0.095 0.000 1.209 45 S CA -0.758 57.478 58.200 0.060 0.000 0.988 45 S CB 1.500 64.739 63.200 0.066 0.000 1.006 45 S HN 0.079 nan 8.310 nan 0.000 0.558 46 V N 0.032 120.002 119.914 0.092 0.000 3.040 46 V HA 0.748 4.868 4.120 -0.000 0.000 0.312 46 V C -0.473 175.664 176.094 0.071 0.000 1.115 46 V CA -0.819 61.540 62.300 0.098 0.000 0.998 46 V CB 1.998 33.860 31.823 0.065 0.000 1.042 46 V HN 1.087 nan 8.190 nan 0.000 0.433 47 T N 1.359 115.936 114.554 0.039 0.000 2.916 47 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 47 T C -0.934 173.736 174.700 -0.050 0.000 1.031 47 T CA -0.599 61.479 62.100 -0.037 0.000 0.993 47 T CB 2.022 70.799 68.868 -0.152 0.000 1.045 47 T HN 0.731 nan 8.240 nan 0.000 0.454 48 E N 1.956 122.131 120.200 -0.042 0.000 2.176 48 E HA 0.559 4.909 4.350 -0.000 0.000 0.267 48 E C -0.888 175.682 176.600 -0.049 0.000 0.893 48 E CA -0.640 55.746 56.400 -0.024 0.000 0.761 48 E CB 1.520 31.226 29.700 0.010 0.000 1.133 48 E HN 0.501 nan 8.360 nan 0.000 0.409 49 I N 3.135 123.671 120.570 -0.057 0.000 2.476 49 I HA 0.223 4.393 4.170 -0.000 0.000 0.281 49 I C -0.743 175.321 176.117 -0.087 0.000 1.040 49 I CA -0.724 60.525 61.300 -0.084 0.000 1.094 49 I CB 1.619 39.542 38.000 -0.127 0.000 1.219 49 I HN 0.352 nan 8.210 nan 0.000 0.450 50 E N 4.764 124.904 120.200 -0.099 0.000 2.266 50 E HA 0.810 5.160 4.350 -0.000 0.000 0.277 50 E C -0.288 176.180 176.600 -0.220 0.000 1.018 50 E CA -0.276 55.978 56.400 -0.243 0.000 0.840 50 E CB 1.956 31.588 29.700 -0.113 0.000 1.082 50 E HN 0.716 nan 8.360 nan 0.000 0.395 51 A N 1.769 124.409 122.820 -0.299 0.000 2.506 51 A HA 0.826 5.146 4.320 -0.000 0.000 0.305 51 A C -1.709 175.879 177.584 0.006 0.000 1.166 51 A CA -0.770 51.179 52.037 -0.147 0.000 0.638 51 A CB 0.862 19.721 19.000 -0.234 0.000 1.336 51 A HN 0.644 nan 8.150 nan 0.000 0.493 52 F N -2.626 117.260 119.950 -0.107 0.000 2.807 52 F HA 0.801 5.328 4.527 -0.000 0.000 0.316 52 F C -2.502 173.287 175.800 -0.019 0.000 1.162 52 F CA -1.184 56.837 58.000 0.036 0.000 0.910 52 F CB 0.660 39.711 39.000 0.085 0.000 1.314 52 F HN 0.474 nan 8.300 nan 0.000 0.454 53 L N 2.325 123.731 121.223 0.305 0.000 2.386 53 L HA 0.493 4.833 4.340 -0.000 0.000 0.271 53 L C -0.691 176.396 176.870 0.363 0.000 0.993 53 L CA -0.915 54.007 54.840 0.136 0.000 0.819 53 L CB 1.660 43.774 42.059 0.091 0.000 1.294 53 L HN 0.791 nan 8.230 nan 0.000 0.414 54 N N 3.476 122.346 118.700 0.284 0.000 2.524 54 N HA 0.488 5.228 4.740 -0.000 0.000 0.283 54 N C -2.419 173.148 175.510 0.094 0.000 1.142 54 N CA -1.103 52.076 53.050 0.215 0.000 0.984 54 N CB 1.089 39.710 38.487 0.223 0.000 1.155 54 N HN 0.375 nan 8.380 nan 0.000 0.467 55 P HA 0.187 nan 4.420 nan 0.000 0.280 55 P C -1.327 175.931 177.300 -0.070 0.000 1.244 55 P CA -0.013 63.068 63.100 -0.032 0.000 0.784 55 P CB 0.815 32.462 31.700 -0.088 0.000 0.913 56 R N 3.839 124.324 120.500 -0.025 0.000 2.487 56 R HA 0.459 4.799 4.340 -0.000 0.000 0.288 56 R C -0.095 176.189 176.300 -0.027 0.000 1.394 56 R CA -0.304 55.796 56.100 0.001 0.000 1.155 56 R CB 0.822 31.169 30.300 0.079 0.000 1.156 56 R HN 0.569 nan 8.270 nan 0.000 0.553 57 M N -0.364 119.191 119.600 -0.075 0.000 2.457 57 M HA 0.727 5.207 4.480 -0.000 0.000 0.300 57 M C 0.400 176.660 176.300 -0.066 0.000 1.141 57 M CA -0.563 54.654 55.300 -0.138 0.000 0.901 57 M CB 2.175 34.603 32.600 -0.288 0.000 1.687 57 M HN 0.481 nan 8.290 nan 0.000 0.449 58 G N 2.391 111.161 108.800 -0.049 0.000 2.720 58 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.293 58 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.293 58 G C -0.355 174.615 174.900 0.117 0.000 1.256 58 G CA 0.691 45.820 45.100 0.048 0.000 0.974 58 G HN 1.132 nan 8.290 nan 0.000 0.551 59 Q N 3.110 123.030 119.800 0.201 0.000 2.230 59 Q HA 0.638 4.978 4.340 -0.000 0.000 0.253 59 Q C -2.164 174.024 176.000 0.314 0.000 0.919 59 Q CA -1.647 54.306 55.803 0.249 0.000 0.908 59 Q CB 2.201 31.138 28.738 0.332 0.000 1.245 59 Q HN 0.550 nan 8.270 nan 0.000 0.437 60 P HA 0.170 nan 4.420 nan 0.000 0.278 60 P C -2.318 175.028 177.300 0.077 0.000 1.258 60 P CA -1.366 61.868 63.100 0.223 0.000 0.811 60 P CB 1.018 32.783 31.700 0.108 0.000 1.063 61 P HA -0.230 nan 4.420 nan 0.000 0.214 61 P C 1.595 178.661 177.300 -0.390 0.000 1.163 61 P CA 2.490 65.087 63.100 -0.839 0.000 0.883 61 P CB -0.930 30.439 31.700 -0.553 0.000 0.788 62 T N -1.585 112.859 114.554 -0.183 0.000 2.668 62 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 62 T C -1.199 173.455 174.700 -0.078 0.000 1.041 62 T CA 1.499 63.539 62.100 -0.100 0.000 1.160 62 T CB -2.861 65.979 68.868 -0.047 0.000 0.857 62 T HN 0.174 nan 8.240 nan 0.000 0.455 63 P HA 0.328 nan 4.420 nan 0.000 0.235 63 P C 0.527 177.794 177.300 -0.056 0.000 1.765 63 P CA -0.098 62.980 63.100 -0.037 0.000 1.034 63 P CB -0.003 31.693 31.700 -0.005 0.000 1.984 64 E N 0.442 120.602 120.200 -0.067 0.000 2.197 64 E HA -0.215 4.135 4.350 -0.000 0.000 0.205 64 E C 0.572 177.149 176.600 -0.038 0.000 1.029 64 E CA 1.279 57.641 56.400 -0.064 0.000 0.828 64 E CB -0.103 29.569 29.700 -0.047 0.000 0.737 64 E HN 0.204 nan 8.360 nan 0.000 0.464 65 S N -1.118 114.563 115.700 -0.032 0.000 2.480 65 S HA 0.258 4.728 4.470 -0.000 0.000 0.286 65 S C 0.484 175.059 174.600 -0.041 0.000 1.180 65 S CA -0.731 57.453 58.200 -0.026 0.000 1.075 65 S CB 0.510 63.697 63.200 -0.021 0.000 0.996 65 S HN 0.310 nan 8.310 nan 0.000 0.487 66 L N 3.614 124.817 121.223 -0.034 0.000 2.801 66 L HA 0.279 4.619 4.340 -0.000 0.000 0.250 66 L C 1.257 178.078 176.870 -0.080 0.000 1.222 66 L CA -0.090 54.713 54.840 -0.061 0.000 1.054 66 L CB -1.503 40.545 42.059 -0.017 0.000 1.330 66 L HN 0.715 nan 8.230 nan 0.000 0.426 67 T N -4.259 110.253 114.554 -0.070 0.000 3.098 67 T HA 0.078 4.428 4.350 -0.000 0.000 0.246 67 T C 1.489 176.150 174.700 -0.064 0.000 0.983 67 T CA 0.366 62.433 62.100 -0.055 0.000 1.094 67 T CB 0.038 68.889 68.868 -0.029 0.000 1.035 67 T HN 0.488 nan 8.240 nan 0.000 0.456 68 E N 1.373 121.539 120.200 -0.057 0.000 2.162 68 E HA 0.202 4.552 4.350 -0.000 0.000 0.193 68 E C 2.335 178.899 176.600 -0.061 0.000 0.953 68 E CA 0.789 57.164 56.400 -0.041 0.000 0.849 68 E CB -0.659 29.030 29.700 -0.019 0.000 0.810 68 E HN 0.508 nan 8.360 nan 0.000 0.470 69 G N 0.900 109.652 108.800 -0.080 0.000 2.813 69 G HA2 0.125 4.085 3.960 -0.000 0.000 0.209 69 G HA3 0.125 4.085 3.960 -0.000 0.000 0.209 69 G C 1.308 176.025 174.900 -0.305 0.000 1.150 69 G CA 0.291 45.342 45.100 -0.082 0.000 0.785 69 G HN 0.477 nan 8.290 nan 0.000 0.535 70 G N -0.271 108.308 108.800 -0.368 0.000 2.230 70 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.270 70 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.270 70 G C 0.591 175.131 174.900 -0.599 0.000 0.987 70 G CA 0.713 45.436 45.100 -0.629 0.000 0.664 70 G HN 0.661 nan 8.290 nan 0.000 0.539 71 Q N -2.324 117.307 119.800 -0.281 0.000 2.423 71 Q HA -0.214 4.126 4.340 -0.000 0.000 0.368 71 Q C 0.475 176.594 176.000 0.197 0.000 1.371 71 Q CA 1.172 56.987 55.803 0.020 0.000 1.106 71 Q CB -1.701 27.100 28.738 0.104 0.000 1.263 71 Q HN 0.741 nan 8.270 nan 0.000 0.325 72 Y N -1.073 119.406 120.300 0.298 0.000 2.478 72 Y HA 0.037 4.587 4.550 -0.000 0.000 0.261 72 Y C 0.710 176.932 175.900 0.536 0.000 1.127 72 Y CA -0.859 57.471 58.100 0.384 0.000 1.288 72 Y CB 0.081 38.708 38.460 0.278 0.000 1.084 72 Y HN 0.491 nan 8.280 nan 0.000 0.530 73 Y N 2.357 122.898 120.300 0.403 0.000 2.847 73 Y HA 0.226 4.776 4.550 -0.000 0.000 0.370 73 Y C 1.062 177.139 175.900 0.295 0.000 1.335 73 Y CA 0.892 59.160 58.100 0.280 0.000 1.693 73 Y CB -0.446 38.125 38.460 0.185 0.000 1.209 73 Y HN 0.389 nan 8.280 nan 0.000 0.517 74 G N 4.713 113.515 108.800 0.004 0.000 2.467 74 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.242 74 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.242 74 G C -0.919 173.914 174.900 -0.111 0.000 1.127 74 G CA -0.260 44.703 45.100 -0.229 0.000 0.924 74 G HN 0.632 nan 8.290 nan 0.000 0.499 75 W N -0.704 120.647 121.300 0.085 0.000 3.736 75 W HA 0.385 5.045 4.660 0.000 0.000 0.276 75 W C 0.145 176.754 176.519 0.151 0.000 1.268 75 W CA -0.837 56.600 57.345 0.153 0.000 1.216 75 W CB 1.051 30.665 29.460 0.256 0.000 1.284 75 W HN 0.317 nan 8.180 nan 0.000 0.562 76 S N 2.421 118.377 115.700 0.428 0.000 2.549 76 S HA 0.073 4.543 4.470 -0.000 0.000 0.283 76 S C 1.016 175.813 174.600 0.329 0.000 1.320 76 S CA -0.226 58.136 58.200 0.269 0.000 1.058 76 S CB 1.828 65.252 63.200 0.373 0.000 0.882 76 S HN 0.485 nan 8.310 nan 0.000 0.498 77 R N 2.933 123.514 120.500 0.134 0.000 2.280 77 R HA 0.023 4.363 4.340 -0.000 0.000 0.209 77 R C 1.200 177.227 176.300 -0.454 0.000 1.059 77 R CA 2.014 58.052 56.100 -0.103 0.000 0.847 77 R CB -1.026 29.253 30.300 -0.034 0.000 0.763 77 R HN 0.765 nan 8.270 nan 0.000 0.452 78 G N -1.514 107.116 108.800 -0.282 0.000 3.122 78 G HA2 0.527 4.487 3.960 -0.000 0.000 0.180 78 G HA3 0.527 4.487 3.960 -0.000 0.000 0.180 78 G C -1.098 173.799 174.900 -0.004 0.000 1.279 78 G CA -0.547 44.340 45.100 -0.355 0.000 0.987 78 G HN 0.218 nan 8.290 nan 0.000 0.589 79 I N 1.750 122.324 120.570 0.006 0.000 2.521 79 I HA 0.218 4.388 4.170 -0.000 0.000 0.277 79 I C -0.413 175.698 176.117 -0.009 0.000 1.054 79 I CA -0.815 60.519 61.300 0.057 0.000 1.117 79 I CB 0.836 38.859 38.000 0.039 0.000 1.217 79 I HN 0.526 nan 8.210 nan 0.000 0.469 80 N N 6.018 124.725 118.700 0.012 0.000 2.416 80 N HA 0.095 4.835 4.740 -0.000 0.000 0.265 80 N C -0.162 175.324 175.510 -0.039 0.000 1.195 80 N CA -0.366 52.673 53.050 -0.018 0.000 0.943 80 N CB 0.972 39.459 38.487 0.000 0.000 1.115 80 N HN 0.372 nan 8.380 nan 0.000 0.481 81 L N 3.336 124.520 121.223 -0.065 0.000 2.505 81 L HA 0.506 4.846 4.340 -0.000 0.000 0.226 81 L C 0.190 177.019 176.870 -0.068 0.000 1.211 81 L CA 0.026 54.819 54.840 -0.079 0.000 0.828 81 L CB 0.776 42.777 42.059 -0.097 0.000 1.331 81 L HN 0.612 nan 8.230 nan 0.000 0.513 82 A N -0.619 122.159 122.820 -0.071 0.000 2.346 82 A HA 0.540 4.860 4.320 -0.000 0.000 0.313 82 A C 0.776 178.324 177.584 -0.060 0.000 1.140 82 A CA 0.089 52.087 52.037 -0.066 0.000 0.826 82 A CB 0.932 19.890 19.000 -0.070 0.000 1.332 82 A HN 0.770 nan 8.150 nan 0.000 0.457 83 T N 0.133 114.655 114.554 -0.053 0.000 2.639 83 T HA 0.175 4.525 4.350 -0.000 0.000 0.261 83 T C 0.636 175.310 174.700 -0.044 0.000 1.053 83 T CA 2.033 64.106 62.100 -0.046 0.000 1.158 83 T CB -0.213 68.632 68.868 -0.040 0.000 0.863 83 T HN 1.239 nan 8.240 nan 0.000 0.413 84 S N -1.594 114.080 115.700 -0.043 0.000 2.798 84 S HA 0.163 4.633 4.470 -0.000 0.000 0.291 84 S C -0.275 174.302 174.600 -0.037 0.000 0.894 84 S CA 0.194 58.371 58.200 -0.039 0.000 0.838 84 S CB 0.395 63.575 63.200 -0.033 0.000 1.047 84 S HN 0.413 nan 8.310 nan 0.000 0.482 85 D N 1.646 122.025 120.400 -0.035 0.000 4.980 85 D HA -0.287 4.353 4.640 -0.000 0.000 0.418 85 D C 1.485 177.765 176.300 -0.034 0.000 1.658 85 D CA 3.338 57.319 54.000 -0.032 0.000 1.165 85 D CB -0.630 40.155 40.800 -0.025 0.000 0.342 85 D HN 0.635 nan 8.370 nan 0.000 0.991 86 T N -1.207 113.329 114.554 -0.031 0.000 2.821 86 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 86 T C 0.475 175.152 174.700 -0.037 0.000 1.046 86 T CA 1.536 63.618 62.100 -0.030 0.000 1.139 86 T CB -0.082 68.772 68.868 -0.024 0.000 0.871 86 T HN 0.336 nan 8.240 nan 0.000 0.454 87 E N 0.869 121.044 120.200 -0.042 0.000 2.185 87 E HA 0.363 4.713 4.350 -0.000 0.000 0.261 87 E C -1.814 174.748 176.600 -0.063 0.000 0.879 87 E CA -0.664 55.707 56.400 -0.049 0.000 0.756 87 E CB 1.066 30.741 29.700 -0.041 0.000 1.152 87 E HN 0.135 nan 8.360 nan 0.000 0.416 88 D N 3.202 123.552 120.400 -0.083 0.000 2.358 88 D HA 0.179 4.819 4.640 -0.000 0.000 0.253 88 D C -1.610 174.610 176.300 -0.134 0.000 1.288 88 D CA -0.297 53.640 54.000 -0.105 0.000 0.950 88 D CB 1.383 42.109 40.800 -0.123 0.000 1.197 88 D HN 0.226 nan 8.370 nan 0.000 0.550 89 S N 3.663 119.302 115.700 -0.101 0.000 2.541 89 S HA 0.593 5.063 4.470 -0.000 0.000 0.283 89 S C -1.952 172.594 174.600 -0.090 0.000 1.196 89 S CA -1.480 56.661 58.200 -0.098 0.000 1.062 89 S CB 1.546 64.713 63.200 -0.056 0.000 1.009 89 S HN 0.262 nan 8.310 nan 0.000 0.502 90 P HA 0.342 nan 4.420 nan 0.000 0.203 90 P C -0.101 177.218 177.300 0.032 0.000 1.206 90 P CA 0.592 63.679 63.100 -0.022 0.000 0.896 90 P CB -0.005 31.698 31.700 0.004 0.000 0.728 91 G N 0.135 108.968 108.800 0.055 0.000 3.035 91 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.674 91 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.674 91 G C 0.174 175.121 174.900 0.078 0.000 1.159 91 G CA -0.426 44.707 45.100 0.054 0.000 1.098 91 G HN -0.012 nan 8.290 nan 0.000 0.473 92 N N 0.817 119.567 118.700 0.083 0.000 2.476 92 N HA -0.158 4.582 4.740 -0.000 0.000 0.196 92 N C 1.773 177.324 175.510 0.069 0.000 1.024 92 N CA 1.662 54.761 53.050 0.082 0.000 0.909 92 N CB -0.054 38.474 38.487 0.067 0.000 0.947 92 N HN 0.805 nan 8.380 nan 0.000 0.450 93 N N -1.469 117.272 118.700 0.068 0.000 2.230 93 N HA 0.072 4.812 4.740 -0.000 0.000 0.202 93 N C 0.285 175.840 175.510 0.075 0.000 1.119 93 N CA 0.229 53.321 53.050 0.069 0.000 0.851 93 N CB 0.249 38.777 38.487 0.068 0.000 0.990 93 N HN 0.044 nan 8.380 nan 0.000 0.497 94 T N 0.345 114.954 114.554 0.092 0.000 3.054 94 T HA 0.306 4.656 4.350 -0.000 0.000 0.255 94 T C 0.495 175.268 174.700 0.122 0.000 1.035 94 T CA -0.063 62.131 62.100 0.156 0.000 0.941 94 T CB 0.454 69.421 68.868 0.164 0.000 1.026 94 T HN 0.090 nan 8.240 nan 0.000 0.533 95 L N 3.517 124.764 121.223 0.041 0.000 2.295 95 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 95 L C -2.610 174.167 176.870 -0.154 0.000 1.018 95 L CA -2.427 52.400 54.840 -0.022 0.000 0.841 95 L CB 1.094 43.207 42.059 0.089 0.000 1.218 95 L HN -0.228 nan 8.230 nan 0.000 0.424 96 P HA 0.126 nan 4.420 nan 0.000 0.268 96 P C -0.612 176.553 177.300 -0.224 0.000 1.204 96 P CA 0.007 62.865 63.100 -0.402 0.000 0.768 96 P CB 0.931 32.197 31.700 -0.724 0.000 0.842 97 T N 0.259 114.726 114.554 -0.146 0.000 2.893 97 T HA 0.281 4.631 4.350 -0.000 0.000 0.291 97 T C -0.659 174.045 174.700 0.007 0.000 1.028 97 T CA -0.683 61.402 62.100 -0.026 0.000 0.995 97 T CB 0.659 69.556 68.868 0.048 0.000 1.051 97 T HN 0.245 nan 8.240 nan 0.000 0.470 98 W N 2.533 123.876 121.300 0.073 0.000 2.385 98 W HA 0.265 4.925 4.660 -0.000 0.000 0.336 98 W C 0.312 176.879 176.519 0.079 0.000 1.351 98 W CA 0.304 57.700 57.345 0.086 0.000 1.295 98 W CB 0.296 29.805 29.460 0.081 0.000 1.239 98 W HN 0.605 nan 8.180 nan 0.000 0.565 99 S N 5.468 121.384 115.700 0.359 0.000 2.475 99 S HA 0.792 5.262 4.470 -0.000 0.000 0.298 99 S C -0.296 174.461 174.600 0.262 0.000 1.119 99 S CA -1.017 57.328 58.200 0.242 0.000 1.085 99 S CB 1.491 64.784 63.200 0.154 0.000 1.028 99 S HN 0.433 nan 8.310 nan 0.000 0.489 100 M N 0.741 120.425 119.600 0.141 0.000 3.008 100 M HA 0.988 5.468 4.480 -0.000 0.000 0.271 100 M C -1.498 174.781 176.300 -0.036 0.000 1.265 100 M CA -0.820 54.518 55.300 0.063 0.000 0.817 100 M CB 0.874 33.516 32.600 0.070 0.000 1.638 100 M HN 0.858 nan 8.290 nan 0.000 0.479 101 A N 0.129 122.890 122.820 -0.099 0.000 2.567 101 A HA 0.781 5.101 4.320 -0.000 0.000 0.291 101 A C -2.005 175.427 177.584 -0.254 0.000 1.048 101 A CA -0.806 51.129 52.037 -0.170 0.000 0.661 101 A CB 1.288 20.159 19.000 -0.216 0.000 1.288 101 A HN 1.043 nan 8.150 nan 0.000 0.424 102 K N 1.491 121.708 120.400 -0.304 0.000 2.463 102 K HA 0.588 4.908 4.320 -0.000 0.000 0.255 102 K C -1.312 175.085 176.600 -0.338 0.000 0.942 102 K CA -0.661 55.354 56.287 -0.453 0.000 0.814 102 K CB 0.924 33.065 32.500 -0.598 0.000 1.122 102 K HN 0.567 nan 8.250 nan 0.000 0.425 103 L N 3.465 124.496 121.223 -0.319 0.000 2.326 103 L HA 0.266 4.606 4.340 -0.000 0.000 0.278 103 L C -0.066 176.668 176.870 -0.226 0.000 1.092 103 L CA -0.147 54.544 54.840 -0.248 0.000 0.810 103 L CB 1.169 43.088 42.059 -0.233 0.000 1.153 103 L HN 0.730 nan 8.230 nan 0.000 0.439 104 Q N 3.057 122.750 119.800 -0.179 0.000 2.431 104 Q HA 0.425 4.765 4.340 -0.000 0.000 0.249 104 Q C -0.981 174.953 176.000 -0.109 0.000 1.025 104 Q CA -0.353 55.373 55.803 -0.129 0.000 0.835 104 Q CB 0.760 29.439 28.738 -0.098 0.000 1.207 104 Q HN 0.382 nan 8.270 nan 0.000 0.490 105 L N 5.293 126.448 121.223 -0.113 0.000 2.456 105 L HA 0.557 4.897 4.340 -0.000 0.000 0.257 105 L C -1.906 175.043 176.870 0.131 0.000 1.162 105 L CA -1.728 53.036 54.840 -0.126 0.000 0.808 105 L CB 0.134 41.896 42.059 -0.495 0.000 1.136 105 L HN 0.560 nan 8.230 nan 0.000 0.466 106 P HA 0.155 nan 4.420 nan 0.000 0.272 106 P C -0.589 176.885 177.300 0.289 0.000 1.230 106 P CA -0.485 62.770 63.100 0.258 0.000 0.788 106 P CB 0.515 32.380 31.700 0.275 0.000 0.949 107 M N 2.370 122.044 119.600 0.125 0.000 2.267 107 M HA 0.246 4.726 4.480 -0.000 0.000 0.303 107 M C -0.297 175.989 176.300 -0.023 0.000 1.164 107 M CA 0.184 55.510 55.300 0.044 0.000 1.060 107 M CB 0.440 33.055 32.600 0.025 0.000 1.455 107 M HN 0.254 nan 8.290 nan 0.000 0.483 108 L N -0.468 120.689 121.223 -0.109 0.000 2.304 108 L HA 0.385 4.725 4.340 -0.000 0.000 0.247 108 L C 0.331 177.118 176.870 -0.139 0.000 1.110 108 L CA 0.110 54.854 54.840 -0.159 0.000 1.249 108 L CB -0.985 40.867 42.059 -0.345 0.000 2.495 108 L HN 0.699 nan 8.230 nan 0.000 0.543 109 N N 0.930 119.540 118.700 -0.150 0.000 2.479 109 N HA 0.137 4.877 4.740 -0.000 0.000 0.257 109 N C -0.352 175.155 175.510 -0.005 0.000 1.232 109 N CA -0.179 52.833 53.050 -0.064 0.000 0.920 109 N CB 0.997 39.464 38.487 -0.033 0.000 1.105 109 N HN 0.211 nan 8.380 nan 0.000 0.444 110 E N 1.371 121.595 120.200 0.039 0.000 2.664 110 E HA 0.108 4.458 4.350 -0.000 0.000 0.245 110 E C 0.171 176.801 176.600 0.051 0.000 1.016 110 E CA -0.343 56.077 56.400 0.034 0.000 0.963 110 E CB 0.363 30.082 29.700 0.031 0.000 1.360 110 E HN 0.550 nan 8.360 nan 0.000 0.472 111 D N 0.271 120.691 120.400 0.033 0.000 2.097 111 D HA -0.058 4.582 4.640 -0.000 0.000 0.195 111 D C 0.615 176.933 176.300 0.030 0.000 0.989 111 D CA 0.618 54.636 54.000 0.029 0.000 0.827 111 D CB -0.028 40.779 40.800 0.011 0.000 0.966 111 D HN 0.223 nan 8.370 nan 0.000 0.456 112 L N 0.921 122.153 121.223 0.014 0.000 3.941 112 L HA -0.331 4.009 4.340 -0.000 0.000 0.455 112 L C 1.061 177.899 176.870 -0.054 0.000 1.179 112 L CA 0.275 55.093 54.840 -0.036 0.000 0.782 112 L CB -1.521 40.498 42.059 -0.066 0.000 1.679 112 L HN 0.261 nan 8.230 nan 0.000 0.871 113 T N -4.509 110.027 114.554 -0.031 0.000 3.265 113 T HA -0.439 3.911 4.350 -0.000 0.000 0.234 113 T C 1.031 175.709 174.700 -0.037 0.000 1.003 113 T CA 2.050 64.134 62.100 -0.028 0.000 1.183 113 T CB -1.497 67.355 68.868 -0.027 0.000 0.780 113 T HN 0.708 nan 8.240 nan 0.000 0.524 114 C N 2.421 121.683 119.300 -0.064 0.000 2.379 114 C HA 0.169 4.629 4.460 -0.000 0.000 0.376 114 C C 1.050 176.003 174.990 -0.061 0.000 1.323 114 C CA -0.425 58.551 59.018 -0.070 0.000 1.575 114 C CB -2.130 25.548 27.740 -0.103 0.000 1.661 114 C HN 0.578 nan 8.230 nan 0.000 0.594 115 D N -0.591 119.789 120.400 -0.033 0.000 3.059 115 D HA -0.179 4.461 4.640 -0.000 0.000 0.222 115 D C 0.664 176.963 176.300 -0.001 0.000 1.185 115 D CA 1.938 55.933 54.000 -0.009 0.000 0.904 115 D CB -1.046 39.745 40.800 -0.015 0.000 1.122 115 D HN 0.625 nan 8.370 nan 0.000 0.410 116 T N 0.916 115.438 114.554 -0.052 0.000 2.750 116 T HA 0.287 4.637 4.350 -0.000 0.000 0.286 116 T C 0.157 174.946 174.700 0.148 0.000 0.911 116 T CA -0.432 61.617 62.100 -0.086 0.000 1.130 116 T CB 0.094 68.721 68.868 -0.402 0.000 0.873 116 T HN 0.077 nan 8.240 nan 0.000 0.536 117 L N 4.885 126.290 121.223 0.303 0.000 2.334 117 L HA 0.542 4.882 4.340 -0.000 0.000 0.275 117 L C 0.026 177.142 176.870 0.410 0.000 1.036 117 L CA -0.503 54.533 54.840 0.326 0.000 0.807 117 L CB 1.831 43.972 42.059 0.137 0.000 1.231 117 L HN 0.753 nan 8.230 nan 0.000 0.438 118 Q N 4.545 124.367 119.800 0.036 0.000 2.330 118 Q HA 0.633 4.973 4.340 -0.000 0.000 0.269 118 Q C -1.067 174.704 176.000 -0.381 0.000 1.022 118 Q CA -0.540 54.941 55.803 -0.538 0.000 0.796 118 Q CB 2.084 30.133 28.738 -1.148 0.000 1.271 118 Q HN 0.724 nan 8.270 nan 0.000 0.450 119 M N 0.514 119.908 119.600 -0.344 0.000 2.664 119 M HA 0.560 5.040 4.480 -0.000 0.000 0.279 119 M C -1.597 174.575 176.300 -0.212 0.000 1.275 119 M CA -0.959 54.183 55.300 -0.263 0.000 0.829 119 M CB 1.713 34.266 32.600 -0.078 0.000 1.727 119 M HN 0.457 nan 8.290 nan 0.000 0.459 120 W N 1.068 122.328 121.300 -0.066 0.000 2.216 120 W HA 0.384 5.044 4.660 0.000 0.000 0.326 120 W C 0.238 176.741 176.519 -0.026 0.000 1.319 120 W CA 0.192 57.506 57.345 -0.051 0.000 1.213 120 W CB 0.542 29.984 29.460 -0.031 0.000 1.171 120 W HN 0.492 nan 8.180 nan 0.000 0.557 121 E N 2.274 122.650 120.200 0.293 0.000 2.265 121 E HA 0.429 4.779 4.350 -0.000 0.000 0.262 121 E C -1.121 175.567 176.600 0.147 0.000 0.889 121 E CA -0.653 55.846 56.400 0.165 0.000 0.789 121 E CB 1.566 31.325 29.700 0.098 0.000 1.221 121 E HN 0.487 nan 8.360 nan 0.000 0.414 122 A N 3.548 126.439 122.820 0.119 0.000 2.366 122 A HA 0.389 4.709 4.320 -0.000 0.000 0.272 122 A C 0.640 178.282 177.584 0.096 0.000 1.135 122 A CA -0.263 51.834 52.037 0.100 0.000 0.804 122 A CB 0.804 19.867 19.000 0.106 0.000 1.064 122 A HN 0.450 nan 8.150 nan 0.000 0.499 123 V N 1.950 121.918 119.914 0.088 0.000 2.840 123 V HA 0.115 4.235 4.120 -0.000 0.000 0.234 123 V C 1.106 177.250 176.094 0.084 0.000 1.159 123 V CA 1.540 63.888 62.300 0.080 0.000 1.194 123 V CB -0.134 31.730 31.823 0.069 0.000 0.971 123 V HN 0.976 nan 8.190 nan 0.000 0.494 124 S N -0.856 114.893 115.700 0.082 0.000 2.740 124 S HA 0.841 5.311 4.470 -0.000 0.000 0.300 124 S C -1.020 173.639 174.600 0.098 0.000 1.147 124 S CA -0.540 57.708 58.200 0.081 0.000 0.871 124 S CB 2.380 65.614 63.200 0.057 0.000 1.173 124 S HN 0.584 nan 8.310 nan 0.000 0.510 125 V N 0.573 120.541 119.914 0.090 0.000 2.839 125 V HA 0.408 4.528 4.120 -0.000 0.000 0.284 125 V C -2.026 174.100 176.094 0.052 0.000 1.397 125 V CA -0.576 61.788 62.300 0.108 0.000 0.938 125 V CB 1.646 33.578 31.823 0.181 0.000 1.112 125 V HN 0.988 nan 8.190 nan 0.000 0.443 126 K N 3.392 123.830 120.400 0.062 0.000 2.110 126 K HA 0.790 5.110 4.320 -0.000 0.000 0.263 126 K C -0.533 176.054 176.600 -0.021 0.000 0.975 126 K CA -0.508 55.778 56.287 -0.001 0.000 0.895 126 K CB 2.054 34.565 32.500 0.018 0.000 1.060 126 K HN 0.734 nan 8.250 nan 0.000 0.448 127 T N 0.687 115.121 114.554 -0.200 0.000 2.883 127 T HA 0.306 4.656 4.350 -0.000 0.000 0.301 127 T C -1.936 172.570 174.700 -0.324 0.000 1.158 127 T CA -0.661 61.219 62.100 -0.367 0.000 1.007 127 T CB 1.551 69.850 68.868 -0.948 0.000 1.186 127 T HN 0.674 nan 8.240 nan 0.000 0.499 128 E N 2.106 122.149 120.200 -0.261 0.000 2.343 128 E HA 0.472 4.822 4.350 -0.000 0.000 0.286 128 E C -1.671 174.836 176.600 -0.155 0.000 0.915 128 E CA -0.604 55.662 56.400 -0.222 0.000 0.784 128 E CB 1.907 31.482 29.700 -0.208 0.000 1.251 128 E HN 0.453 nan 8.360 nan 0.000 0.407 129 V N 4.779 124.564 119.914 -0.214 0.000 2.408 129 V HA 0.238 4.358 4.120 -0.000 0.000 0.267 129 V C 0.376 176.379 176.094 -0.152 0.000 1.047 129 V CA -0.395 61.802 62.300 -0.172 0.000 0.937 129 V CB 0.865 32.535 31.823 -0.254 0.000 0.999 129 V HN 0.463 nan 8.190 nan 0.000 0.472 130 V N 2.444 122.337 119.914 -0.034 0.000 2.834 130 V HA 1.025 5.145 4.120 -0.000 0.000 0.313 130 V C 0.944 177.077 176.094 0.065 0.000 1.060 130 V CA 0.119 62.474 62.300 0.092 0.000 0.989 130 V CB 1.117 32.994 31.823 0.089 0.000 1.041 130 V HN 1.255 nan 8.190 nan 0.000 0.459 131 G N 1.616 110.538 108.800 0.203 0.000 2.159 131 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.227 131 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.227 131 G C 0.728 175.683 174.900 0.091 0.000 0.986 131 G CA 0.427 45.595 45.100 0.113 0.000 0.651 131 G HN 1.214 nan 8.290 nan 0.000 0.523 132 S N 0.082 115.830 115.700 0.080 0.000 2.419 132 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 132 S C 2.409 177.075 174.600 0.110 0.000 1.019 132 S CA 1.728 59.887 58.200 -0.068 0.000 0.982 132 S CB -0.332 62.550 63.200 -0.529 0.000 0.789 132 S HN 1.374 nan 8.310 nan 0.000 0.490 133 G N 0.998 109.967 108.800 0.282 0.000 2.598 133 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.215 133 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.215 133 G C 1.390 176.341 174.900 0.086 0.000 1.131 133 G CA 0.838 46.040 45.100 0.171 0.000 0.785 133 G HN 0.574 nan 8.290 nan 0.000 0.539 134 S N 0.364 116.106 115.700 0.070 0.000 2.402 134 S HA -0.019 4.451 4.470 -0.000 0.000 0.229 134 S C 1.923 176.551 174.600 0.046 0.000 1.021 134 S CA 0.408 58.638 58.200 0.048 0.000 0.974 134 S CB -0.129 63.086 63.200 0.024 0.000 0.800 134 S HN 0.060 nan 8.310 nan 0.000 0.484 135 L N 1.906 123.152 121.223 0.038 0.000 2.737 135 L HA 0.271 4.611 4.340 -0.000 0.000 0.246 135 L C 1.349 178.239 176.870 0.034 0.000 1.153 135 L CA 0.622 55.486 54.840 0.040 0.000 0.920 135 L CB -1.659 40.415 42.059 0.024 0.000 1.090 135 L HN 0.430 nan 8.230 nan 0.000 0.430 136 L N -1.078 120.164 121.223 0.031 0.000 2.567 136 L HA 0.105 4.446 4.340 -0.000 0.000 0.225 136 L C 0.800 177.663 176.870 -0.011 0.000 1.119 136 L CA -0.041 54.812 54.840 0.022 0.000 0.871 136 L CB 0.132 42.213 42.059 0.036 0.000 1.036 136 L HN 0.184 nan 8.230 nan 0.000 0.459 137 D N 0.647 121.018 120.400 -0.048 0.000 2.383 137 D HA 0.077 4.717 4.640 -0.000 0.000 0.252 137 D C 0.696 176.877 176.300 -0.198 0.000 1.166 137 D CA 0.183 54.054 54.000 -0.214 0.000 0.879 137 D CB 1.933 42.595 40.800 -0.231 0.000 1.164 137 D HN -0.038 nan 8.370 nan 0.000 0.462 138 V N 2.830 122.595 119.914 -0.248 0.000 3.432 138 V HA 0.109 4.229 4.120 -0.000 0.000 0.298 138 V C 1.215 177.293 176.094 -0.026 0.000 1.464 138 V CA -0.215 62.041 62.300 -0.075 0.000 1.046 138 V CB -0.736 31.096 31.823 0.015 0.000 0.887 138 V HN 0.607 nan 8.190 nan 0.000 0.441 139 H N 1.498 120.594 119.070 0.043 0.000 3.109 139 H HA 0.681 5.237 4.556 -0.000 0.000 0.190 139 H C 0.914 176.257 175.328 0.026 0.000 1.535 139 H CA 0.118 56.175 56.048 0.015 0.000 1.670 139 H CB -0.288 29.465 29.762 -0.016 0.000 1.373 139 H HN 0.515 nan 8.280 nan 0.000 0.920 140 G N -0.367 108.539 108.800 0.177 0.000 2.860 140 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.553 140 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.553 140 G C -1.001 173.977 174.900 0.131 0.000 1.439 140 G CA -0.104 45.050 45.100 0.090 0.000 0.879 140 G HN 0.485 nan 8.290 nan 0.000 0.545 141 F N 2.626 122.594 119.950 0.030 0.000 2.467 141 F HA 0.394 4.921 4.527 -0.000 0.000 0.349 141 F C 0.847 176.645 175.800 -0.004 0.000 1.182 141 F CA -1.460 56.550 58.000 0.017 0.000 1.279 141 F CB -0.385 38.627 39.000 0.020 0.000 1.626 141 F HN 0.429 nan 8.300 nan 0.000 0.596 142 N N 1.328 120.218 118.700 0.316 0.000 2.362 142 N HA 0.286 5.026 4.740 -0.000 0.000 0.299 142 N C -0.710 174.840 175.510 0.067 0.000 1.170 142 N CA -1.110 52.004 53.050 0.107 0.000 0.825 142 N CB 1.614 40.157 38.487 0.094 0.000 1.299 142 N HN 0.178 nan 8.380 nan 0.000 0.502 143 K N 0.657 121.044 120.400 -0.020 0.000 2.561 143 K HA 0.041 4.361 4.320 -0.000 0.000 0.280 143 K C -2.392 174.223 176.600 0.026 0.000 0.975 143 K CA -0.371 55.887 56.287 -0.047 0.000 1.024 143 K CB 0.329 32.801 32.500 -0.046 0.000 0.883 143 K HN 0.310 nan 8.250 nan 0.000 0.496 144 P HA 0.253 nan 4.420 nan 0.000 0.288 144 P C -0.022 177.309 177.300 0.052 0.000 1.297 144 P CA -0.714 62.432 63.100 0.077 0.000 0.864 144 P CB 1.129 32.899 31.700 0.116 0.000 1.237 145 T N -1.448 113.142 114.554 0.059 0.000 2.544 145 T HA -0.178 4.172 4.350 -0.000 0.000 0.264 145 T C 0.524 175.246 174.700 0.036 0.000 1.096 145 T CA 1.847 63.975 62.100 0.047 0.000 1.181 145 T CB -0.920 67.977 68.868 0.048 0.000 0.864 145 T HN 0.560 nan 8.240 nan 0.000 0.415 146 D N 0.572 120.995 120.400 0.038 0.000 2.225 146 D HA 0.292 4.932 4.640 -0.000 0.000 0.248 146 D C 1.086 177.401 176.300 0.025 0.000 1.096 146 D CA 0.034 54.050 54.000 0.028 0.000 0.863 146 D CB 1.417 42.234 40.800 0.029 0.000 1.156 146 D HN 0.265 nan 8.370 nan 0.000 0.450 147 T N -0.074 114.486 114.554 0.011 0.000 3.046 147 T HA 0.006 4.356 4.350 -0.000 0.000 0.242 147 T C 1.902 176.599 174.700 -0.005 0.000 1.018 147 T CA 0.591 62.689 62.100 -0.004 0.000 1.131 147 T CB -0.553 68.305 68.868 -0.017 0.000 0.904 147 T HN 0.206 nan 8.240 nan 0.000 0.459 148 V N 3.743 123.656 119.914 -0.002 0.000 2.225 148 V HA -0.286 3.834 4.120 -0.000 0.000 0.252 148 V C 2.243 178.338 176.094 0.002 0.000 1.055 148 V CA 2.346 64.645 62.300 -0.002 0.000 1.032 148 V CB -0.862 30.962 31.823 0.003 0.000 0.655 148 V HN 0.555 nan 8.190 nan 0.000 0.458 149 N N -0.976 117.730 118.700 0.011 0.000 2.461 149 N HA -0.001 4.739 4.740 -0.000 0.000 0.188 149 N C 0.453 175.979 175.510 0.027 0.000 1.134 149 N CA 0.797 53.857 53.050 0.016 0.000 0.878 149 N CB 0.098 38.595 38.487 0.018 0.000 0.972 149 N HN 0.650 nan 8.380 nan 0.000 0.456 150 T N 0.659 115.229 114.554 0.026 0.000 3.501 150 T HA -0.175 4.175 4.350 -0.000 0.000 0.411 150 T C 0.028 174.771 174.700 0.073 0.000 0.766 150 T CA 1.118 63.246 62.100 0.046 0.000 2.129 150 T CB -0.750 68.150 68.868 0.052 0.000 1.711 150 T HN 0.299 nan 8.240 nan 0.000 0.712 151 K N -0.583 119.853 120.400 0.061 0.000 2.283 151 K HA 0.881 5.201 4.320 -0.000 0.000 0.257 151 K C 0.930 177.569 176.600 0.065 0.000 1.066 151 K CA 0.550 56.876 56.287 0.064 0.000 0.891 151 K CB 1.340 33.866 32.500 0.045 0.000 1.438 151 K HN 0.645 nan 8.250 nan 0.000 0.464 152 G N 0.156 108.992 108.800 0.059 0.000 2.754 152 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.241 152 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.241 152 G C -1.115 173.826 174.900 0.068 0.000 1.281 152 G CA -0.115 45.019 45.100 0.056 0.000 0.971 152 G HN 0.405 nan 8.290 nan 0.000 0.569 153 I N 0.956 121.570 120.570 0.073 0.000 2.608 153 I HA 0.544 4.714 4.170 -0.000 0.000 0.295 153 I C 0.326 176.502 176.117 0.098 0.000 1.049 153 I CA -0.572 60.776 61.300 0.081 0.000 1.063 153 I CB 1.817 39.856 38.000 0.065 0.000 1.248 153 I HN 0.412 nan 8.210 nan 0.000 0.424 154 S N 3.632 119.401 115.700 0.115 0.000 3.065 154 S HA 0.088 4.558 4.470 -0.000 0.000 0.311 154 S C 0.197 174.854 174.600 0.095 0.000 1.204 154 S CA -0.149 58.135 58.200 0.140 0.000 1.040 154 S CB -0.593 62.721 63.200 0.191 0.000 1.436 154 S HN 0.628 nan 8.310 nan 0.000 0.532 155 T N 7.268 121.873 114.554 0.085 0.000 2.367 155 T HA -0.065 4.285 4.350 -0.000 0.000 0.207 155 T C -1.511 173.241 174.700 0.086 0.000 1.065 155 T CA -0.301 61.845 62.100 0.077 0.000 1.252 155 T CB -0.363 68.548 68.868 0.072 0.000 1.023 155 T HN 0.485 nan 8.240 nan 0.000 0.462 156 P HA 0.074 nan 4.420 nan 0.000 0.278 156 P C 0.055 177.425 177.300 0.117 0.000 1.270 156 P CA -0.469 62.683 63.100 0.087 0.000 0.800 156 P CB 0.378 32.116 31.700 0.063 0.000 1.142 157 V N -1.311 118.677 119.914 0.123 0.000 2.963 157 V HA 0.223 4.343 4.120 -0.000 0.000 0.306 157 V C 0.696 176.837 176.094 0.078 0.000 1.077 157 V CA 0.439 62.820 62.300 0.136 0.000 1.124 157 V CB -0.627 31.260 31.823 0.106 0.000 0.987 157 V HN 0.596 nan 8.190 nan 0.000 0.487 158 E N 0.272 120.502 120.200 0.050 0.000 2.422 158 E HA 0.580 4.930 4.350 -0.000 0.000 0.280 158 E C -0.254 176.244 176.600 -0.169 0.000 1.091 158 E CA -0.258 56.139 56.400 -0.005 0.000 0.849 158 E CB 2.231 31.979 29.700 0.080 0.000 1.353 158 E HN 1.280 nan 8.360 nan 0.000 0.449 159 G N 0.345 109.027 108.800 -0.197 0.000 2.434 159 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.671 159 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.671 159 G C -0.707 173.932 174.900 -0.435 0.000 1.280 159 G CA -0.494 44.380 45.100 -0.377 0.000 0.975 159 G HN 0.423 nan 8.290 nan 0.000 0.510 160 S N 0.523 115.961 115.700 -0.437 0.000 2.558 160 S HA 0.422 4.892 4.470 -0.000 0.000 0.291 160 S C 0.422 174.838 174.600 -0.306 0.000 1.306 160 S CA 0.608 58.644 58.200 -0.274 0.000 1.056 160 S CB 0.736 63.941 63.200 0.008 0.000 0.836 160 S HN 0.662 nan 8.310 nan 0.000 0.504 161 Q N 0.637 120.338 119.800 -0.165 0.000 2.484 161 Q HA 0.711 5.051 4.340 -0.000 0.000 0.285 161 Q C -1.603 174.409 176.000 0.021 0.000 1.097 161 Q CA -0.837 54.902 55.803 -0.107 0.000 0.802 161 Q CB 2.344 31.041 28.738 -0.068 0.000 1.444 161 Q HN 0.704 nan 8.270 nan 0.000 0.429 162 Y N 0.452 120.514 120.300 -0.397 0.000 2.424 162 Y HA 0.332 4.882 4.550 0.000 0.000 0.323 162 Y C -1.920 173.531 175.900 -0.748 0.000 1.174 162 Y CA -0.471 57.437 58.100 -0.322 0.000 1.060 162 Y CB 1.493 39.916 38.460 -0.062 0.000 1.314 162 Y HN 0.690 nan 8.280 nan 0.000 0.439 163 H N 4.957 124.007 119.070 -0.033 0.000 2.865 163 H HA 0.847 5.403 4.556 -0.000 0.000 0.362 163 H C -1.433 173.833 175.328 -0.104 0.000 1.114 163 H CA -0.853 55.182 56.048 -0.022 0.000 1.208 163 H CB 2.167 31.936 29.762 0.011 0.000 1.727 163 H HN 0.521 nan 8.280 nan 0.000 0.534 164 V N 2.512 122.520 119.914 0.157 0.000 3.204 164 V HA 0.489 4.609 4.120 -0.000 0.000 0.298 164 V C -1.179 175.282 176.094 0.612 0.000 1.328 164 V CA -1.021 61.454 62.300 0.291 0.000 1.035 164 V CB 2.686 34.599 31.823 0.150 0.000 1.095 164 V HN 0.798 nan 8.190 nan 0.000 0.442 165 F N -0.149 120.077 119.950 0.459 0.000 2.858 165 F HA 1.008 5.535 4.527 -0.000 0.000 0.319 165 F C -0.824 175.282 175.800 0.510 0.000 1.166 165 F CA -0.558 57.756 58.000 0.522 0.000 0.899 165 F CB 1.015 40.280 39.000 0.441 0.000 1.332 165 F HN 1.196 nan 8.300 nan 0.000 0.461 166 A N 0.451 123.444 122.820 0.289 0.000 2.586 166 A HA 0.779 5.099 4.320 -0.000 0.000 0.291 166 A C -2.394 175.398 177.584 0.347 0.000 1.062 166 A CA -0.567 51.520 52.037 0.085 0.000 0.666 166 A CB 1.506 20.513 19.000 0.012 0.000 1.281 166 A HN 1.573 nan 8.150 nan 0.000 0.421 167 V N 0.475 120.540 119.914 0.252 0.000 2.612 167 V HA 0.787 4.907 4.120 -0.000 0.000 0.301 167 V C 0.383 176.574 176.094 0.162 0.000 1.059 167 V CA 0.387 62.853 62.300 0.277 0.000 0.886 167 V CB 1.597 33.642 31.823 0.370 0.000 1.007 167 V HN 1.873 nan 8.190 nan 0.000 0.426 168 G N 2.240 111.124 108.800 0.140 0.000 2.687 168 G HA2 0.573 4.533 3.960 -0.000 0.000 0.291 168 G HA3 0.573 4.533 3.960 -0.000 0.000 0.291 168 G C 0.439 175.402 174.900 0.105 0.000 1.420 168 G CA 0.110 45.250 45.100 0.067 0.000 0.796 168 G HN 0.890 nan 8.290 nan 0.000 0.485 169 G N -1.206 107.599 108.800 0.009 0.000 3.042 169 G HA2 0.445 4.405 3.960 -0.000 0.000 0.212 169 G HA3 0.445 4.405 3.960 -0.000 0.000 0.212 169 G C 0.372 175.164 174.900 -0.181 0.000 1.166 169 G CA 0.664 45.792 45.100 0.047 0.000 0.767 169 G HN 0.825 nan 8.290 nan 0.000 0.546 170 E N -0.166 119.662 120.200 -0.620 0.000 2.449 170 E HA 0.446 4.796 4.350 -0.000 0.000 0.278 170 E C -3.117 172.628 176.600 -1.424 0.000 0.992 170 E CA -2.327 53.482 56.400 -0.985 0.000 0.807 170 E CB 1.615 31.064 29.700 -0.420 0.000 1.350 170 E HN -0.101 nan 8.360 nan 0.000 0.462 171 P HA 0.015 nan 4.420 nan 0.000 0.273 171 P C -0.057 177.000 177.300 -0.405 0.000 1.250 171 P CA -0.460 62.289 63.100 -0.585 0.000 0.793 171 P CB 0.826 32.375 31.700 -0.251 0.000 1.011 172 L N 1.682 122.702 121.223 -0.339 0.000 2.418 172 L HA 0.082 4.422 4.340 -0.000 0.000 0.274 172 L C -0.505 176.107 176.870 -0.430 0.000 1.135 172 L CA -0.057 54.542 54.840 -0.401 0.000 0.870 172 L CB -0.343 41.401 42.059 -0.524 0.000 1.154 172 L HN 0.282 nan 8.230 nan 0.000 0.462 173 D N 5.956 126.147 120.400 -0.348 0.000 2.339 173 D HA 0.390 5.030 4.640 -0.000 0.000 0.241 173 D C -0.606 175.529 176.300 -0.275 0.000 1.183 173 D CA -0.103 53.727 54.000 -0.283 0.000 0.859 173 D CB 0.895 41.579 40.800 -0.193 0.000 1.067 173 D HN 0.233 nan 8.370 nan 0.000 0.484 174 L N 0.535 121.601 121.223 -0.261 0.000 2.322 174 L HA 0.603 4.943 4.340 -0.000 0.000 0.269 174 L C -0.166 176.801 176.870 0.162 0.000 1.012 174 L CA -0.978 53.802 54.840 -0.101 0.000 0.815 174 L CB 0.850 42.824 42.059 -0.143 0.000 1.295 174 L HN 0.210 nan 8.230 nan 0.000 0.438 175 Q N 0.123 120.060 119.800 0.229 0.000 2.337 175 Q HA 0.705 5.045 4.340 -0.000 0.000 0.270 175 Q C -0.945 175.145 176.000 0.150 0.000 1.043 175 Q CA -0.535 55.397 55.803 0.216 0.000 0.794 175 Q CB 2.365 31.154 28.738 0.084 0.000 1.281 175 Q HN 1.004 nan 8.270 nan 0.000 0.446 176 G N 2.774 111.453 108.800 -0.202 0.000 2.441 176 G HA2 0.741 4.701 3.960 -0.000 0.000 0.334 176 G HA3 0.741 4.701 3.960 -0.000 0.000 0.334 176 G C -1.193 173.547 174.900 -0.266 0.000 1.161 176 G CA -0.449 44.366 45.100 -0.476 0.000 0.935 176 G HN 0.544 nan 8.290 nan 0.000 0.488 177 L N 0.507 121.648 121.223 -0.136 0.000 2.513 177 L HA 0.581 4.921 4.340 -0.000 0.000 0.261 177 L C -0.607 176.228 176.870 -0.059 0.000 0.945 177 L CA -0.925 53.848 54.840 -0.111 0.000 0.848 177 L CB 2.209 44.198 42.059 -0.117 0.000 1.334 177 L HN 0.500 nan 8.230 nan 0.000 0.407 178 V N 0.758 120.640 119.914 -0.053 0.000 3.158 178 V HA 0.544 4.664 4.120 -0.000 0.000 0.315 178 V C 0.732 176.833 176.094 0.012 0.000 1.148 178 V CA 0.262 62.563 62.300 0.002 0.000 1.042 178 V CB 2.380 34.223 31.823 0.034 0.000 1.101 178 V HN 0.953 nan 8.190 nan 0.000 0.448 179 T N -0.013 114.562 114.554 0.035 0.000 2.754 179 T HA 0.062 4.412 4.350 -0.000 0.000 0.238 179 T C 0.348 175.060 174.700 0.019 0.000 1.091 179 T CA 0.612 62.724 62.100 0.020 0.000 1.358 179 T CB -0.314 68.569 68.868 0.024 0.000 1.006 179 T HN 0.645 nan 8.240 nan 0.000 0.411 180 D N 1.560 121.974 120.400 0.024 0.000 2.347 180 D HA 0.524 5.164 4.640 -0.000 0.000 0.235 180 D C 0.771 177.086 176.300 0.026 0.000 1.149 180 D CA -0.114 53.892 54.000 0.010 0.000 0.850 180 D CB 1.441 42.232 40.800 -0.015 0.000 1.061 180 D HN 0.437 nan 8.370 nan 0.000 0.487 181 A N 4.066 126.899 122.820 0.021 0.000 2.216 181 A HA -0.174 4.146 4.320 -0.000 0.000 0.214 181 A C 1.817 179.417 177.584 0.026 0.000 1.160 181 A CA 0.739 52.796 52.037 0.033 0.000 0.725 181 A CB -0.185 18.825 19.000 0.016 0.000 0.784 181 A HN 0.625 nan 8.150 nan 0.000 0.472 182 R N -1.021 119.479 120.500 0.000 0.000 2.297 182 R HA 0.064 4.404 4.340 -0.000 0.000 0.197 182 R C -0.145 176.124 176.300 -0.052 0.000 0.943 182 R CA 0.534 56.623 56.100 -0.017 0.000 1.038 182 R CB -0.947 29.338 30.300 -0.025 0.000 0.957 182 R HN 0.175 nan 8.270 nan 0.000 0.484 183 T N 2.560 117.062 114.554 -0.088 0.000 2.905 183 T HA 0.012 4.362 4.350 -0.000 0.000 0.299 183 T C 0.135 174.669 174.700 -0.277 0.000 1.024 183 T CA 0.348 62.289 62.100 -0.265 0.000 1.151 183 T CB 0.691 69.239 68.868 -0.532 0.000 0.987 183 T HN 0.074 nan 8.240 nan 0.000 0.535 184 K N 3.195 123.424 120.400 -0.286 0.000 3.216 184 K HA 0.185 4.505 4.320 -0.000 0.000 0.277 184 K C -0.507 175.992 176.600 -0.167 0.000 1.246 184 K CA -0.076 56.113 56.287 -0.164 0.000 1.227 184 K CB -0.703 31.732 32.500 -0.110 0.000 1.487 184 K HN 0.468 nan 8.250 nan 0.000 0.341 185 Y N 0.837 121.149 120.300 0.020 0.000 2.597 185 Y HA -0.040 4.510 4.550 0.000 0.000 0.336 185 Y C 0.781 176.697 175.900 0.025 0.000 1.216 185 Y CA -0.024 58.093 58.100 0.028 0.000 1.463 185 Y CB 0.385 38.868 38.460 0.039 0.000 1.303 185 Y HN 0.039 nan 8.280 nan 0.000 0.576 186 K N 1.971 122.485 120.400 0.191 0.000 2.326 186 K HA 0.026 4.346 4.320 -0.000 0.000 0.275 186 K C 0.992 177.660 176.600 0.113 0.000 1.018 186 K CA -0.017 56.336 56.287 0.109 0.000 0.962 186 K CB 0.362 32.912 32.500 0.083 0.000 0.953 186 K HN 0.723 nan 8.250 nan 0.000 0.475 187 E N 0.765 121.011 120.200 0.077 0.000 2.285 187 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 187 E C -0.150 176.474 176.600 0.040 0.000 0.997 187 E CA 0.730 57.168 56.400 0.064 0.000 0.845 187 E CB 0.303 30.033 29.700 0.050 0.000 0.782 187 E HN 0.554 nan 8.360 nan 0.000 0.491 188 E N -0.787 119.434 120.200 0.034 0.000 2.238 188 E HA 0.403 4.753 4.350 -0.000 0.000 0.267 188 E C -0.361 176.248 176.600 0.015 0.000 0.887 188 E CA -0.180 56.229 56.400 0.016 0.000 0.769 188 E CB 1.605 31.312 29.700 0.013 0.000 1.187 188 E HN 0.243 nan 8.360 nan 0.000 0.416 189 G N 1.329 110.127 108.800 -0.003 0.000 2.132 189 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.228 189 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.228 189 G C -0.481 174.412 174.900 -0.012 0.000 1.000 189 G CA 0.130 45.228 45.100 -0.004 0.000 0.693 189 G HN 0.714 nan 8.290 nan 0.000 0.515 190 V N -1.156 118.736 119.914 -0.036 0.000 3.036 190 V HA 0.540 4.660 4.120 -0.000 0.000 0.280 190 V C -0.586 175.444 176.094 -0.107 0.000 1.497 190 V CA -0.280 61.985 62.300 -0.058 0.000 0.982 190 V CB 2.104 33.937 31.823 0.017 0.000 1.171 190 V HN 0.774 nan 8.190 nan 0.000 0.444 191 V N 5.141 124.919 119.914 -0.226 0.000 2.567 191 V HA 0.858 4.978 4.120 -0.000 0.000 0.289 191 V C 0.350 176.471 176.094 0.045 0.000 1.049 191 V CA 0.190 62.349 62.300 -0.235 0.000 0.969 191 V CB 1.764 33.150 31.823 -0.729 0.000 0.995 191 V HN 1.101 nan 8.190 nan 0.000 0.471 192 T N 1.850 116.497 114.554 0.155 0.000 2.843 192 T HA 0.428 4.778 4.350 -0.000 0.000 0.302 192 T C 0.866 175.740 174.700 0.290 0.000 1.232 192 T CA -0.611 61.603 62.100 0.190 0.000 1.009 192 T CB 1.490 70.365 68.868 0.012 0.000 1.254 192 T HN 0.332 nan 8.240 nan 0.000 0.504 193 I N 0.331 121.007 120.570 0.178 0.000 2.229 193 I HA -0.287 3.883 4.170 -0.000 0.000 0.250 193 I C 2.353 178.561 176.117 0.152 0.000 1.096 193 I CA 1.532 62.921 61.300 0.148 0.000 1.358 193 I CB -1.250 36.726 38.000 -0.041 0.000 1.047 193 I HN 0.665 nan 8.210 nan 0.000 0.422 194 K N 1.023 121.493 120.400 0.117 0.000 2.076 194 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 194 K C 1.800 178.456 176.600 0.094 0.000 1.051 194 K CA 1.795 58.139 56.287 0.095 0.000 0.949 194 K CB -1.910 30.640 32.500 0.084 0.000 0.726 194 K HN 0.396 nan 8.250 nan 0.000 0.443 195 T N 1.745 116.358 114.554 0.098 0.000 2.802 195 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 195 T C 1.814 176.556 174.700 0.071 0.000 1.062 195 T CA 1.651 63.790 62.100 0.066 0.000 1.133 195 T CB -0.188 68.704 68.868 0.040 0.000 0.852 195 T HN 0.307 nan 8.240 nan 0.000 0.485 196 I N -0.141 120.504 120.570 0.126 0.000 2.962 196 I HA 0.231 4.401 4.170 -0.000 0.000 0.246 196 I C 0.944 177.122 176.117 0.103 0.000 1.091 196 I CA 0.758 62.133 61.300 0.124 0.000 1.469 196 I CB -0.000 38.125 38.000 0.208 0.000 1.324 196 I HN 0.004 nan 8.210 nan 0.000 0.461 197 T N 1.416 116.039 114.554 0.116 0.000 2.743 197 T HA 0.174 4.524 4.350 -0.000 0.000 0.293 197 T C 1.076 175.814 174.700 0.064 0.000 0.945 197 T CA -0.584 61.563 62.100 0.080 0.000 1.030 197 T CB 0.407 69.319 68.868 0.073 0.000 0.912 197 T HN 0.111 nan 8.240 nan 0.000 0.483 198 K N 3.716 124.145 120.400 0.049 0.000 2.059 198 K HA -0.085 4.235 4.320 -0.000 0.000 0.212 198 K C 0.824 177.449 176.600 0.041 0.000 1.050 198 K CA 1.471 57.783 56.287 0.041 0.000 0.927 198 K CB -0.329 32.190 32.500 0.031 0.000 0.714 198 K HN 0.617 nan 8.250 nan 0.000 0.447 199 K N 1.546 121.968 120.400 0.038 0.000 2.336 199 K HA -0.016 4.304 4.320 -0.000 0.000 0.262 199 K C 0.550 177.174 176.600 0.040 0.000 0.992 199 K CA -0.007 56.300 56.287 0.034 0.000 0.927 199 K CB 0.313 32.830 32.500 0.029 0.000 0.956 199 K HN 0.081 nan 8.250 nan 0.000 0.495 200 D N 0.781 121.202 120.400 0.035 0.000 2.346 200 D HA 0.022 4.662 4.640 -0.000 0.000 0.249 200 D C 0.587 176.910 176.300 0.037 0.000 1.308 200 D CA 0.262 54.286 54.000 0.040 0.000 0.987 200 D CB 0.535 41.355 40.800 0.033 0.000 1.114 200 D HN 0.249 nan 8.370 nan 0.000 0.529 201 M N 0.208 119.832 119.600 0.040 0.000 2.202 201 M HA 0.258 4.738 4.480 -0.000 0.000 0.316 201 M C -0.143 176.168 176.300 0.020 0.000 1.138 201 M CA -0.275 55.044 55.300 0.031 0.000 1.151 201 M CB 1.134 33.761 32.600 0.045 0.000 1.422 201 M HN 0.054 nan 8.290 nan 0.000 0.471 202 V N 0.304 120.224 119.914 0.010 0.000 3.114 202 V HA 0.218 4.338 4.120 -0.000 0.000 0.308 202 V C 0.590 176.684 176.094 0.000 0.000 1.168 202 V CA -0.995 61.309 62.300 0.006 0.000 1.015 202 V CB 1.695 33.520 31.823 0.004 0.000 1.050 202 V HN 0.916 nan 8.190 nan 0.000 0.433 203 N N 1.655 120.354 118.700 -0.001 0.000 2.258 203 N HA -0.231 4.509 4.740 -0.000 0.000 0.187 203 N C 1.128 176.633 175.510 -0.009 0.000 1.012 203 N CA 1.880 54.928 53.050 -0.004 0.000 0.870 203 N CB -0.469 38.016 38.487 -0.004 0.000 0.977 203 N HN 0.793 nan 8.380 nan 0.000 0.434 204 K N -0.054 120.340 120.400 -0.009 0.000 2.097 204 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 204 K C 0.940 177.526 176.600 -0.024 0.000 1.049 204 K CA 1.576 57.855 56.287 -0.014 0.000 0.933 204 K CB -0.100 32.394 32.500 -0.010 0.000 0.717 204 K HN 0.241 nan 8.250 nan 0.000 0.442 205 D N 0.676 121.060 120.400 -0.026 0.000 2.264 205 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 205 D C 1.682 177.953 176.300 -0.048 0.000 0.966 205 D CA 0.776 54.748 54.000 -0.048 0.000 0.864 205 D CB -0.055 40.714 40.800 -0.053 0.000 0.933 205 D HN 0.209 nan 8.370 nan 0.000 0.499 206 Q N 0.141 119.924 119.800 -0.029 0.000 2.291 206 Q HA -0.113 4.227 4.340 -0.000 0.000 0.206 206 Q C 1.627 177.607 176.000 -0.033 0.000 0.976 206 Q CA 1.188 56.977 55.803 -0.023 0.000 0.875 206 Q CB 0.326 29.056 28.738 -0.012 0.000 0.927 206 Q HN 0.412 nan 8.270 nan 0.000 0.450 207 V N -3.615 116.277 119.914 -0.037 0.000 3.278 207 V HA 0.339 4.459 4.120 -0.000 0.000 0.215 207 V C 0.084 176.148 176.094 -0.050 0.000 1.287 207 V CA -0.111 62.164 62.300 -0.041 0.000 1.302 207 V CB 0.631 32.437 31.823 -0.029 0.000 1.228 207 V HN 0.118 nan 8.190 nan 0.000 0.523 208 L N 2.317 123.516 121.223 -0.040 0.000 2.564 208 L HA 0.592 4.931 4.340 -0.000 0.000 0.259 208 L C -1.241 175.611 176.870 -0.030 0.000 1.101 208 L CA -0.121 54.694 54.840 -0.040 0.000 0.900 208 L CB 1.071 43.111 42.059 -0.032 0.000 1.110 208 L HN 0.398 nan 8.230 nan 0.000 0.468 209 N N 4.512 123.190 118.700 -0.036 0.000 2.469 209 N HA 0.397 5.137 4.740 -0.000 0.000 0.239 209 N C -1.972 173.533 175.510 -0.008 0.000 1.053 209 N CA -2.249 50.788 53.050 -0.022 0.000 0.937 209 N CB 1.497 39.969 38.487 -0.025 0.000 1.163 209 N HN 0.267 nan 8.380 nan 0.000 0.509 210 P HA -0.073 nan 4.420 nan 0.000 0.226 210 P C 0.716 178.029 177.300 0.021 0.000 1.146 210 P CA 0.658 63.764 63.100 0.009 0.000 0.773 210 P CB 0.346 32.050 31.700 0.006 0.000 0.772 211 I N -1.472 119.112 120.570 0.023 0.000 2.385 211 I HA -0.069 4.101 4.170 -0.000 0.000 0.244 211 I C 1.020 177.175 176.117 0.063 0.000 1.089 211 I CA 1.057 62.379 61.300 0.036 0.000 1.410 211 I CB -1.320 36.699 38.000 0.031 0.000 1.117 211 I HN -0.286 nan 8.210 nan 0.000 0.429 212 S N 3.400 119.130 115.700 0.051 0.000 3.911 212 S HA 0.051 4.521 4.470 -0.000 0.000 0.188 212 S C 0.104 174.801 174.600 0.162 0.000 1.147 212 S CA 0.291 58.535 58.200 0.074 0.000 0.961 212 S CB -1.215 61.957 63.200 -0.046 0.000 1.582 212 S HN 0.231 nan 8.310 nan 0.000 0.458 213 K N 1.116 121.664 120.400 0.248 0.000 2.427 213 K HA 0.768 5.088 4.320 -0.000 0.000 0.252 213 K C -0.155 176.593 176.600 0.247 0.000 0.931 213 K CA -0.590 55.873 56.287 0.294 0.000 0.793 213 K CB 2.238 34.809 32.500 0.117 0.000 1.211 213 K HN 0.336 nan 8.250 nan 0.000 0.426 214 A N 2.321 125.215 122.820 0.124 0.000 2.973 214 A HA 0.706 5.026 4.320 -0.000 0.000 0.267 214 A C -1.174 176.213 177.584 -0.328 0.000 1.210 214 A CA -0.558 51.354 52.037 -0.208 0.000 0.749 214 A CB 1.157 19.798 19.000 -0.599 0.000 1.373 214 A HN 0.573 nan 8.150 nan 0.000 0.585 215 K N -0.808 119.314 120.400 -0.463 0.000 2.409 215 K HA 0.544 4.864 4.320 -0.000 0.000 0.252 215 K C -1.190 174.945 176.600 -0.776 0.000 1.036 215 K CA -0.715 55.286 56.287 -0.477 0.000 0.871 215 K CB 1.830 34.163 32.500 -0.278 0.000 1.374 215 K HN 0.403 nan 8.250 nan 0.000 0.459 216 L N 3.522 124.368 121.223 -0.628 0.000 2.865 216 L HA 0.040 4.380 4.340 -0.000 0.000 0.233 216 L C 0.578 177.292 176.870 -0.260 0.000 1.320 216 L CA -0.015 54.419 54.840 -0.677 0.000 1.225 216 L CB -0.332 41.434 42.059 -0.488 0.000 1.542 216 L HN 0.681 nan 8.230 nan 0.000 0.432 217 D N -0.245 120.075 120.400 -0.133 0.000 2.123 217 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 217 D C 0.816 177.186 176.300 0.116 0.000 0.976 217 D CA 0.937 54.955 54.000 0.031 0.000 0.831 217 D CB 0.364 41.185 40.800 0.034 0.000 0.974 217 D HN 0.180 nan 8.370 nan 0.000 0.469 218 K N 0.152 120.741 120.400 0.314 0.000 2.526 218 K HA 0.481 4.801 4.320 -0.000 0.000 0.256 218 K C -0.606 176.136 176.600 0.236 0.000 1.035 218 K CA -0.626 55.782 56.287 0.202 0.000 1.011 218 K CB 0.777 33.279 32.500 0.005 0.000 1.343 218 K HN 0.083 nan 8.250 nan 0.000 0.510 219 D N -2.537 117.944 120.400 0.134 0.000 2.753 219 D HA 0.440 5.080 4.640 -0.000 0.000 0.224 219 D C -0.082 176.282 176.300 0.106 0.000 1.213 219 D CA -0.156 53.927 54.000 0.138 0.000 0.833 219 D CB 1.353 42.200 40.800 0.079 0.000 1.607 219 D HN 0.482 nan 8.370 nan 0.000 0.463 220 G N 1.786 110.667 108.800 0.135 0.000 2.203 220 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 220 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 220 G C 0.492 175.437 174.900 0.076 0.000 1.012 220 G CA 1.118 46.278 45.100 0.101 0.000 0.749 220 G HN 0.465 nan 8.290 nan 0.000 0.512 221 M N -1.954 117.707 119.600 0.101 0.000 2.724 221 M HA 0.432 4.912 4.480 -0.000 0.000 0.231 221 M C 0.181 176.435 176.300 -0.075 0.000 1.568 221 M CA 0.227 55.503 55.300 -0.040 0.000 1.153 221 M CB 0.563 33.034 32.600 -0.214 0.000 1.345 221 M HN 0.121 nan 8.290 nan 0.000 0.555 222 Y N 2.691 123.013 120.300 0.037 0.000 2.393 222 Y HA 0.369 4.919 4.550 0.000 0.000 0.338 222 Y C -2.117 173.939 175.900 0.260 0.000 1.029 222 Y CA -3.214 54.929 58.100 0.073 0.000 1.239 222 Y CB -0.744 37.565 38.460 -0.252 0.000 1.170 222 Y HN 0.133 nan 8.280 nan 0.000 0.515 223 P HA -0.011 nan 4.420 nan 0.000 0.271 223 P C 0.564 177.979 177.300 0.192 0.000 1.216 223 P CA 0.040 63.240 63.100 0.167 0.000 0.776 223 P CB 1.694 33.434 31.700 0.066 0.000 0.881 224 V N 2.462 122.352 119.914 -0.039 0.000 2.970 224 V HA -0.160 3.960 4.120 -0.000 0.000 0.260 224 V C 2.425 178.394 176.094 -0.207 0.000 1.100 224 V CA 1.540 63.717 62.300 -0.206 0.000 1.122 224 V CB -1.554 29.919 31.823 -0.583 0.000 0.721 224 V HN 0.604 nan 8.190 nan 0.000 0.483 225 E N 0.026 120.165 120.200 -0.102 0.000 2.331 225 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 225 E C 1.789 178.360 176.600 -0.047 0.000 1.008 225 E CA 1.310 57.689 56.400 -0.035 0.000 0.843 225 E CB 0.054 29.806 29.700 0.088 0.000 0.761 225 E HN 0.697 nan 8.360 nan 0.000 0.507 226 I N -1.955 118.541 120.570 -0.123 0.000 3.650 226 I HA 0.078 4.248 4.170 -0.000 0.000 0.261 226 I C -0.041 175.843 176.117 -0.388 0.000 1.154 226 I CA -0.355 60.765 61.300 -0.299 0.000 1.418 226 I CB 0.109 37.774 38.000 -0.558 0.000 1.539 226 I HN -0.000 nan 8.210 nan 0.000 0.449 227 W N 3.131 124.432 121.300 0.002 0.000 2.304 227 W HA 0.286 4.946 4.660 -0.000 0.000 0.313 227 W C 0.165 176.626 176.519 -0.096 0.000 1.323 227 W CA 0.094 57.454 57.345 0.025 0.000 1.223 227 W CB 0.166 29.672 29.460 0.077 0.000 1.237 227 W HN 0.036 nan 8.180 nan 0.000 0.535 228 H N 3.549 122.800 119.070 0.301 0.000 2.679 228 H HA 0.253 4.809 4.556 -0.000 0.000 0.367 228 H C -2.150 173.191 175.328 0.022 0.000 1.162 228 H CA -2.212 53.977 56.048 0.235 0.000 1.181 228 H CB 1.880 31.731 29.762 0.147 0.000 1.693 228 H HN 0.056 nan 8.280 nan 0.000 0.538 229 P HA -0.031 nan 4.420 nan 0.000 0.268 229 P C -0.355 176.772 177.300 -0.289 0.000 1.282 229 P CA 0.055 62.882 63.100 -0.454 0.000 0.880 229 P CB 0.036 31.183 31.700 -0.921 0.000 0.971 230 D N 5.831 126.121 120.400 -0.182 0.000 2.308 230 D HA 0.134 4.774 4.640 -0.000 0.000 0.251 230 D C -1.959 174.301 176.300 -0.065 0.000 1.127 230 D CA -2.484 51.477 54.000 -0.065 0.000 0.876 230 D CB 0.409 41.198 40.800 -0.019 0.000 1.176 230 D HN 0.213 nan 8.370 nan 0.000 0.446 231 P HA 0.197 nan 4.420 nan 0.000 0.244 231 P C -0.661 176.650 177.300 0.018 0.000 1.769 231 P CA -0.418 62.718 63.100 0.060 0.000 1.102 231 P CB 0.182 31.933 31.700 0.085 0.000 1.937 232 A N 4.159 126.975 122.820 -0.006 0.000 2.477 232 A HA 0.109 4.429 4.320 -0.000 0.000 0.246 232 A C 1.455 179.037 177.584 -0.004 0.000 1.078 232 A CA -0.317 51.711 52.037 -0.015 0.000 0.770 232 A CB 0.438 19.415 19.000 -0.039 0.000 1.011 232 A HN 0.311 nan 8.150 nan 0.000 0.494 233 K N 1.981 122.379 120.400 -0.003 0.000 2.444 233 K HA -0.125 4.195 4.320 -0.000 0.000 0.200 233 K C 0.123 176.720 176.600 -0.004 0.000 1.045 233 K CA 1.582 57.868 56.287 -0.001 0.000 0.934 233 K CB -0.360 32.139 32.500 -0.001 0.000 0.756 233 K HN 0.551 nan 8.250 nan 0.000 0.477 234 N N 0.249 118.943 118.700 -0.010 0.000 2.249 234 N HA 0.303 5.043 4.740 -0.000 0.000 0.296 234 N C -1.583 173.913 175.510 -0.024 0.000 1.051 234 N CA -0.496 52.545 53.050 -0.014 0.000 0.815 234 N CB 2.049 40.527 38.487 -0.015 0.000 1.487 234 N HN 0.068 nan 8.380 nan 0.000 0.475 235 E N 0.562 120.748 120.200 -0.023 0.000 2.354 235 E HA 0.241 4.591 4.350 -0.000 0.000 0.283 235 E C -0.982 175.598 176.600 -0.032 0.000 0.938 235 E CA -0.386 55.995 56.400 -0.033 0.000 0.777 235 E CB 1.202 30.896 29.700 -0.011 0.000 1.222 235 E HN 0.441 nan 8.360 nan 0.000 0.423 236 N N 1.297 119.966 118.700 -0.051 0.000 2.177 236 N HA 0.167 4.907 4.740 -0.000 0.000 0.218 236 N C -1.155 174.334 175.510 -0.034 0.000 1.182 236 N CA 0.287 53.314 53.050 -0.039 0.000 0.882 236 N CB 0.797 39.252 38.487 -0.053 0.000 1.052 236 N HN 0.455 nan 8.380 nan 0.000 0.519 237 T N -0.802 113.727 114.554 -0.041 0.000 2.942 237 T HA 0.574 4.924 4.350 -0.000 0.000 0.289 237 T C -0.363 174.330 174.700 -0.011 0.000 1.044 237 T CA -0.843 61.244 62.100 -0.022 0.000 1.023 237 T CB 2.064 70.891 68.868 -0.068 0.000 1.123 237 T HN -0.146 nan 8.240 nan 0.000 0.512 238 R N 1.063 121.551 120.500 -0.019 0.000 2.534 238 R HA 0.583 4.923 4.340 -0.000 0.000 0.301 238 R C -1.348 174.682 176.300 -0.451 0.000 0.961 238 R CA -0.776 55.217 56.100 -0.179 0.000 0.871 238 R CB 1.490 31.843 30.300 0.088 0.000 1.170 238 R HN 0.953 nan 8.270 nan 0.000 0.446 239 Y N 0.131 119.712 120.300 -1.197 0.000 2.625 239 Y HA 0.820 5.370 4.550 -0.000 0.000 0.338 239 Y C -1.445 173.282 175.900 -1.955 0.000 1.123 239 Y CA -1.587 55.709 58.100 -1.339 0.000 1.046 239 Y CB 1.485 39.599 38.460 -0.577 0.000 1.299 239 Y HN 0.372 nan 8.280 nan 0.000 0.464 240 F N -0.217 119.596 119.950 -0.230 0.000 2.719 240 F HA 0.894 5.421 4.527 -0.000 0.000 0.309 240 F C 0.000 175.833 175.800 0.055 0.000 1.138 240 F CA -0.980 56.943 58.000 -0.128 0.000 0.943 240 F CB 1.793 40.706 39.000 -0.146 0.000 1.304 240 F HN 0.979 nan 8.300 nan 0.000 0.445 241 G N 0.878 109.845 108.800 0.277 0.000 2.349 241 G HA2 0.504 4.464 3.960 -0.000 0.000 0.294 241 G HA3 0.504 4.464 3.960 -0.000 0.000 0.294 241 G C -2.473 172.473 174.900 0.076 0.000 1.380 241 G CA -0.751 44.446 45.100 0.162 0.000 0.811 241 G HN 1.360 nan 8.290 nan 0.000 0.519 242 N N -2.110 116.579 118.700 -0.018 0.000 2.598 242 N HA 0.590 5.330 4.740 -0.000 0.000 0.263 242 N C -1.742 173.811 175.510 0.071 0.000 1.254 242 N CA -0.901 52.177 53.050 0.047 0.000 0.863 242 N CB 2.088 40.623 38.487 0.079 0.000 1.586 242 N HN 0.817 nan 8.380 nan 0.000 0.491 243 Y N 0.532 120.872 120.300 0.066 0.000 2.420 243 Y HA 0.688 5.238 4.550 -0.000 0.000 0.334 243 Y C -1.079 174.891 175.900 0.117 0.000 1.094 243 Y CA -0.524 57.685 58.100 0.182 0.000 1.126 243 Y CB 2.272 40.890 38.460 0.263 0.000 1.217 243 Y HN 0.661 nan 8.280 nan 0.000 0.462 244 T N 5.590 119.662 114.554 -0.803 0.000 3.038 244 T HA 0.416 4.766 4.350 -0.000 0.000 0.344 244 T C 0.091 174.170 174.700 -1.034 0.000 1.054 244 T CA -0.389 61.288 62.100 -0.704 0.000 1.092 244 T CB 0.166 68.871 68.868 -0.271 0.000 1.031 244 T HN 1.028 nan 8.240 nan 0.000 0.482 245 G N 1.068 109.131 108.800 -1.229 0.000 2.684 245 G HA2 0.617 4.577 3.960 -0.000 0.000 0.255 245 G HA3 0.617 4.577 3.960 -0.000 0.000 0.255 245 G C 0.373 175.182 174.900 -0.152 0.000 1.219 245 G CA 0.351 45.153 45.100 -0.498 0.000 0.901 245 G HN 1.109 nan 8.290 nan 0.000 0.548 246 G N -2.160 106.658 108.800 0.030 0.000 2.428 246 G HA2 0.341 4.301 3.960 -0.000 0.000 0.681 246 G HA3 0.341 4.301 3.960 -0.000 0.000 0.681 246 G C 0.513 175.476 174.900 0.104 0.000 1.340 246 G CA 0.619 45.742 45.100 0.039 0.000 0.915 246 G HN 1.481 nan 8.290 nan 0.000 0.645 247 T N -2.859 111.760 114.554 0.107 0.000 2.866 247 T HA 0.091 4.441 4.350 -0.000 0.000 0.250 247 T C 2.446 177.254 174.700 0.181 0.000 1.033 247 T CA 2.885 65.081 62.100 0.160 0.000 1.145 247 T CB -0.651 68.268 68.868 0.086 0.000 0.866 247 T HN 1.477 nan 8.240 nan 0.000 0.434 248 T N -0.003 114.610 114.554 0.098 0.000 2.914 248 T HA 0.133 4.483 4.350 -0.000 0.000 0.240 248 T C 0.822 175.539 174.700 0.029 0.000 1.025 248 T CA 0.736 62.883 62.100 0.078 0.000 1.198 248 T CB -1.398 67.503 68.868 0.055 0.000 0.892 248 T HN 0.403 nan 8.240 nan 0.000 0.417 249 T N 3.601 118.158 114.554 0.005 0.000 2.229 249 T HA -0.078 4.272 4.350 -0.000 0.000 0.536 249 T C -2.673 172.001 174.700 -0.044 0.000 0.847 249 T CA -0.152 61.928 62.100 -0.033 0.000 2.843 249 T CB -1.343 67.487 68.868 -0.064 0.000 1.698 249 T HN 0.378 nan 8.240 nan 0.000 0.408 250 P HA 0.218 nan 4.420 nan 0.000 0.265 250 P C -2.086 175.191 177.300 -0.039 0.000 1.193 250 P CA -1.069 62.016 63.100 -0.025 0.000 0.765 250 P CB 0.145 31.837 31.700 -0.014 0.000 0.823 251 P HA 0.170 nan 4.420 nan 0.000 0.272 251 P C -0.905 176.366 177.300 -0.049 0.000 1.223 251 P CA 0.131 63.206 63.100 -0.042 0.000 0.784 251 P CB 0.579 32.257 31.700 -0.036 0.000 0.923 252 V N -0.163 119.711 119.914 -0.067 0.000 3.147 252 V HA 0.711 4.831 4.120 -0.000 0.000 0.299 252 V C -0.955 175.044 176.094 -0.160 0.000 1.302 252 V CA -0.809 61.434 62.300 -0.096 0.000 1.015 252 V CB 1.863 33.640 31.823 -0.076 0.000 1.086 252 V HN 0.457 nan 8.190 nan 0.000 0.437 253 L N 0.604 121.699 121.223 -0.213 0.000 2.869 253 L HA 0.557 4.897 4.340 -0.000 0.000 0.265 253 L C -1.768 174.883 176.870 -0.366 0.000 1.011 253 L CA -0.434 54.209 54.840 -0.330 0.000 0.913 253 L CB 2.657 44.457 42.059 -0.432 0.000 1.490 253 L HN 0.766 nan 8.230 nan 0.000 0.410 254 Q N 1.996 121.553 119.800 -0.405 0.000 2.357 254 Q HA 0.423 4.763 4.340 -0.000 0.000 0.266 254 Q C -1.347 174.457 176.000 -0.326 0.000 1.021 254 Q CA -0.292 55.319 55.803 -0.319 0.000 0.784 254 Q CB 1.550 30.166 28.738 -0.203 0.000 1.243 254 Q HN 0.268 nan 8.270 nan 0.000 0.465 255 F N 1.650 121.529 119.950 -0.118 0.000 2.404 255 F HA 0.426 4.953 4.527 -0.000 0.000 0.359 255 F C 0.697 176.422 175.800 -0.124 0.000 1.134 255 F CA -0.030 57.896 58.000 -0.123 0.000 1.160 255 F CB 1.197 40.136 39.000 -0.101 0.000 1.186 255 F HN 0.215 nan 8.300 nan 0.000 0.526 256 T N 3.513 118.105 114.554 0.063 0.000 3.225 256 T HA 0.134 4.484 4.350 -0.000 0.000 0.356 256 T C 0.451 175.096 174.700 -0.091 0.000 1.460 256 T CA -0.716 61.372 62.100 -0.020 0.000 1.126 256 T CB 0.926 69.777 68.868 -0.029 0.000 1.321 256 T HN 0.467 nan 8.240 nan 0.000 0.478 257 N N 1.785 120.431 118.700 -0.089 0.000 2.038 257 N HA -0.113 4.627 4.740 -0.000 0.000 0.192 257 N C 2.085 177.540 175.510 -0.092 0.000 1.080 257 N CA 3.241 56.225 53.050 -0.110 0.000 0.867 257 N CB -0.921 37.517 38.487 -0.083 0.000 1.055 257 N HN 0.903 nan 8.380 nan 0.000 0.430 258 T N 0.351 114.866 114.554 -0.065 0.000 2.918 258 T HA -0.243 4.107 4.350 -0.000 0.000 0.249 258 T C 0.983 175.654 174.700 -0.049 0.000 1.040 258 T CA 0.985 63.055 62.100 -0.050 0.000 1.160 258 T CB -0.655 68.187 68.868 -0.043 0.000 0.819 258 T HN 0.146 nan 8.240 nan 0.000 0.495 259 L N 3.254 124.439 121.223 -0.063 0.000 2.325 259 L HA 0.372 4.712 4.340 -0.000 0.000 0.284 259 L C 0.356 177.188 176.870 -0.062 0.000 1.089 259 L CA 0.384 55.186 54.840 -0.064 0.000 0.836 259 L CB 0.223 42.236 42.059 -0.077 0.000 1.184 259 L HN 0.393 nan 8.230 nan 0.000 0.444 260 T N 1.438 115.968 114.554 -0.041 0.000 2.895 260 T HA 0.705 5.055 4.350 -0.000 0.000 0.283 260 T C 0.223 174.905 174.700 -0.031 0.000 1.014 260 T CA -0.603 61.482 62.100 -0.025 0.000 1.037 260 T CB 1.904 70.770 68.868 -0.002 0.000 1.006 260 T HN 0.495 nan 8.240 nan 0.000 0.468 261 T N 1.497 116.038 114.554 -0.022 0.000 2.876 261 T HA 0.574 4.924 4.350 -0.000 0.000 0.289 261 T C -0.145 174.568 174.700 0.022 0.000 1.014 261 T CA -0.847 61.236 62.100 -0.029 0.000 0.986 261 T CB 1.445 70.263 68.868 -0.084 0.000 1.021 261 T HN 0.609 nan 8.240 nan 0.000 0.458 262 V N 2.495 122.425 119.914 0.028 0.000 2.370 262 V HA 0.403 4.523 4.120 -0.000 0.000 0.279 262 V C 1.037 177.192 176.094 0.101 0.000 1.029 262 V CA -0.709 61.628 62.300 0.061 0.000 0.870 262 V CB 0.471 32.323 31.823 0.047 0.000 0.984 262 V HN 0.874 nan 8.190 nan 0.000 0.451 263 L N 2.984 124.279 121.223 0.119 0.000 2.395 263 L HA 0.130 4.470 4.340 -0.000 0.000 0.218 263 L C 0.983 177.913 176.870 0.099 0.000 1.130 263 L CA 0.265 55.190 54.840 0.141 0.000 0.826 263 L CB -0.209 41.936 42.059 0.143 0.000 0.941 263 L HN 0.466 nan 8.230 nan 0.000 0.451 264 L N 2.236 123.506 121.223 0.079 0.000 2.628 264 L HA -0.098 4.242 4.340 -0.000 0.000 0.274 264 L C 0.760 177.662 176.870 0.052 0.000 1.209 264 L CA 0.559 55.435 54.840 0.060 0.000 0.930 264 L CB -0.263 41.826 42.059 0.050 0.000 1.183 264 L HN 0.207 nan 8.230 nan 0.000 0.492 265 D N 2.791 123.217 120.400 0.043 0.000 2.414 265 D HA -0.033 4.607 4.640 -0.000 0.000 0.251 265 D C 0.703 177.017 176.300 0.024 0.000 1.252 265 D CA -0.144 53.874 54.000 0.031 0.000 0.999 265 D CB 0.473 41.287 40.800 0.024 0.000 1.093 265 D HN 0.612 nan 8.370 nan 0.000 0.515 266 E N -0.971 119.238 120.200 0.015 0.000 2.273 266 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 266 E C 0.532 177.140 176.600 0.014 0.000 1.002 266 E CA 0.951 57.358 56.400 0.012 0.000 0.828 266 E CB -0.037 29.666 29.700 0.006 0.000 0.747 266 E HN 0.364 nan 8.360 nan 0.000 0.491 267 N N -0.507 118.203 118.700 0.016 0.000 2.275 267 N HA 0.104 4.844 4.740 -0.000 0.000 0.236 267 N C 0.122 175.645 175.510 0.021 0.000 1.154 267 N CA 0.630 53.689 53.050 0.016 0.000 0.866 267 N CB 1.553 40.048 38.487 0.013 0.000 1.093 267 N HN 0.149 nan 8.380 nan 0.000 0.515 268 G N 0.506 109.321 108.800 0.025 0.000 2.298 268 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.287 268 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.287 268 G C 0.559 175.480 174.900 0.034 0.000 1.075 268 G CA 0.419 45.537 45.100 0.030 0.000 0.960 268 G HN 0.254 nan 8.290 nan 0.000 0.502 269 V N -0.485 119.449 119.914 0.033 0.000 3.013 269 V HA 0.599 4.719 4.120 -0.000 0.000 0.238 269 V C 2.129 178.249 176.094 0.043 0.000 1.161 269 V CA 2.018 64.339 62.300 0.035 0.000 1.170 269 V CB -0.084 31.756 31.823 0.028 0.000 0.917 269 V HN 2.261 nan 8.190 nan 0.000 0.478 270 G N 1.116 109.943 108.800 0.045 0.000 2.697 270 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.240 270 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.240 270 G C -2.952 171.982 174.900 0.056 0.000 1.346 270 G CA -0.287 44.847 45.100 0.058 0.000 0.887 270 G HN 0.353 nan 8.290 nan 0.000 0.569 271 P HA 0.701 nan 4.420 nan 0.000 0.285 271 P C -0.714 176.632 177.300 0.077 0.000 1.269 271 P CA -0.653 62.485 63.100 0.064 0.000 0.844 271 P CB 1.137 32.883 31.700 0.076 0.000 1.094 272 L N 0.947 122.211 121.223 0.069 0.000 2.385 272 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 272 L C -0.578 176.352 176.870 0.100 0.000 0.990 272 L CA -0.392 54.499 54.840 0.085 0.000 0.821 272 L CB 1.202 43.294 42.059 0.056 0.000 1.279 272 L HN 0.347 nan 8.230 nan 0.000 0.412 273 C N 2.565 121.954 119.300 0.149 0.000 2.610 273 C HA 0.201 4.661 4.460 -0.000 0.000 0.382 273 C C 0.751 175.826 174.990 0.142 0.000 1.287 273 C CA -0.936 58.187 59.018 0.175 0.000 1.640 273 C CB -1.518 26.358 27.740 0.225 0.000 2.335 273 C HN 0.624 nan 8.230 nan 0.000 0.577 274 K N 3.032 123.497 120.400 0.108 0.000 2.368 274 K HA 0.489 4.809 4.320 -0.000 0.000 0.282 274 K C 0.865 177.540 176.600 0.126 0.000 1.035 274 K CA 0.619 56.956 56.287 0.083 0.000 0.973 274 K CB 0.466 32.986 32.500 0.034 0.000 0.957 274 K HN 1.042 nan 8.250 nan 0.000 0.474 275 G N 2.031 110.895 108.800 0.106 0.000 2.828 275 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.463 275 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.463 275 G C -0.309 174.670 174.900 0.132 0.000 1.394 275 G CA -0.709 44.457 45.100 0.110 0.000 0.862 275 G HN 0.625 nan 8.290 nan 0.000 0.540 276 E N 0.352 120.623 120.200 0.120 0.000 2.370 276 E HA 0.324 4.674 4.350 -0.000 0.000 0.194 276 E C 1.179 177.856 176.600 0.128 0.000 1.057 276 E CA 0.579 57.080 56.400 0.170 0.000 1.011 276 E CB 0.181 29.981 29.700 0.166 0.000 1.132 276 E HN 0.956 nan 8.360 nan 0.000 0.450 277 G N 0.940 109.817 108.800 0.128 0.000 2.377 277 G HA2 0.439 4.399 3.960 -0.000 0.000 0.299 277 G HA3 0.439 4.399 3.960 -0.000 0.000 0.299 277 G C -0.606 174.358 174.900 0.107 0.000 1.150 277 G CA -0.463 44.663 45.100 0.043 0.000 0.847 277 G HN 0.192 nan 8.290 nan 0.000 0.501 278 L N 2.410 123.563 121.223 -0.116 0.000 2.333 278 L HA 0.555 4.895 4.340 -0.000 0.000 0.280 278 L C -1.396 175.389 176.870 -0.141 0.000 1.004 278 L CA -0.936 53.900 54.840 -0.007 0.000 0.820 278 L CB 1.532 43.538 42.059 -0.089 0.000 1.247 278 L HN 0.500 nan 8.230 nan 0.000 0.416 279 Y N 5.390 125.662 120.300 -0.047 0.000 2.345 279 Y HA 0.463 5.013 4.550 -0.000 0.000 0.331 279 Y C -0.030 175.847 175.900 -0.038 0.000 0.959 279 Y CA -0.797 57.267 58.100 -0.060 0.000 1.204 279 Y CB 1.371 39.794 38.460 -0.061 0.000 1.135 279 Y HN 0.350 nan 8.280 nan 0.000 0.477 280 L N 3.341 124.563 121.223 -0.002 0.000 2.322 280 L HA 0.807 5.147 4.340 -0.000 0.000 0.279 280 L C -0.282 176.610 176.870 0.037 0.000 1.036 280 L CA -0.614 54.200 54.840 -0.044 0.000 0.807 280 L CB 1.697 43.430 42.059 -0.543 0.000 1.226 280 L HN 0.541 nan 8.230 nan 0.000 0.433 281 S N 1.228 117.073 115.700 0.242 0.000 2.536 281 S HA 0.782 5.252 4.470 -0.000 0.000 0.271 281 S C -0.764 174.226 174.600 0.649 0.000 1.134 281 S CA -0.839 57.553 58.200 0.319 0.000 0.897 281 S CB 2.035 65.301 63.200 0.110 0.000 1.094 281 S HN 0.967 nan 8.310 nan 0.000 0.473 282 C N -0.163 119.600 119.300 0.773 0.000 3.167 282 C HA 0.895 5.355 4.460 -0.000 0.000 0.348 282 C C -1.770 173.362 174.990 0.237 0.000 1.394 282 C CA -0.584 58.849 59.018 0.692 0.000 1.204 282 C CB 0.326 28.472 27.740 0.676 0.000 1.467 282 C HN 1.518 nan 8.230 nan 0.000 0.446 283 V N -1.805 118.148 119.914 0.064 0.000 3.000 283 V HA 0.777 4.897 4.120 -0.000 0.000 0.300 283 V C -1.754 174.356 176.094 0.027 0.000 1.251 283 V CA -0.224 62.016 62.300 -0.100 0.000 0.972 283 V CB 2.100 33.707 31.823 -0.360 0.000 1.065 283 V HN 1.007 nan 8.190 nan 0.000 0.431 284 D N 3.959 124.359 120.400 -0.001 0.000 2.429 284 D HA 0.409 5.049 4.640 -0.000 0.000 0.255 284 D C -0.880 175.380 176.300 -0.066 0.000 1.257 284 D CA -0.048 54.006 54.000 0.091 0.000 0.890 284 D CB 1.968 42.932 40.800 0.273 0.000 1.267 284 D HN 0.511 nan 8.370 nan 0.000 0.521 285 I N 1.742 122.159 120.570 -0.255 0.000 2.352 285 I HA 0.106 4.276 4.170 -0.000 0.000 0.290 285 I C 1.693 177.731 176.117 -0.131 0.000 1.036 285 I CA -0.076 61.116 61.300 -0.180 0.000 1.336 285 I CB 0.919 38.835 38.000 -0.140 0.000 1.407 285 I HN 0.152 nan 8.210 nan 0.000 0.497 286 M N 3.796 123.369 119.600 -0.044 0.000 2.465 286 M HA 0.383 4.863 4.480 -0.000 0.000 0.249 286 M C 0.903 177.139 176.300 -0.107 0.000 1.130 286 M CA 0.160 55.446 55.300 -0.022 0.000 1.067 286 M CB -0.756 31.831 32.600 -0.023 0.000 1.394 286 M HN 0.839 nan 8.290 nan 0.000 0.483 287 G N 0.596 109.312 108.800 -0.140 0.000 2.373 287 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.634 287 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.634 287 G C -1.926 172.855 174.900 -0.199 0.000 1.267 287 G CA -0.911 43.903 45.100 -0.477 0.000 1.008 287 G HN 0.374 nan 8.290 nan 0.000 0.497 288 W N -0.184 121.185 121.300 0.115 0.000 2.438 288 W HA 0.822 5.482 4.660 0.000 0.000 0.324 288 W C 0.508 177.159 176.519 0.221 0.000 1.119 288 W CA -1.288 56.175 57.345 0.197 0.000 1.221 288 W CB 0.818 30.296 29.460 0.030 0.000 1.253 288 W HN 0.632 nan 8.180 nan 0.000 0.555 289 R N 1.935 122.737 120.500 0.503 0.000 2.349 289 R HA 0.579 4.919 4.340 -0.000 0.000 0.299 289 R C -1.394 175.007 176.300 0.169 0.000 1.027 289 R CA -0.549 55.724 56.100 0.288 0.000 0.958 289 R CB 1.006 31.437 30.300 0.218 0.000 1.047 289 R HN 0.588 nan 8.270 nan 0.000 0.468 290 V N 3.218 123.194 119.914 0.104 0.000 2.417 290 V HA 0.261 4.381 4.120 -0.000 0.000 0.291 290 V C 0.273 176.326 176.094 -0.069 0.000 1.024 290 V CA -1.005 61.280 62.300 -0.026 0.000 0.861 290 V CB 1.406 33.176 31.823 -0.088 0.000 0.985 290 V HN 0.942 nan 8.190 nan 0.000 0.436 291 T N 1.755 116.261 114.554 -0.080 0.000 2.851 291 T HA 0.256 4.606 4.350 -0.000 0.000 0.298 291 T C 0.367 175.000 174.700 -0.111 0.000 0.977 291 T CA -0.638 61.427 62.100 -0.059 0.000 1.126 291 T CB 0.766 69.633 68.868 -0.001 0.000 0.916 291 T HN 0.506 nan 8.240 nan 0.000 0.529 292 R N 3.120 123.510 120.500 -0.182 0.000 3.247 292 R HA 0.158 4.498 4.340 -0.000 0.000 0.212 292 R C 0.368 176.401 176.300 -0.444 0.000 1.604 292 R CA -0.145 55.717 56.100 -0.397 0.000 1.279 292 R CB -1.629 28.169 30.300 -0.837 0.000 1.277 292 R HN 0.980 nan 8.270 nan 0.000 0.669 293 N N 0.851 119.401 118.700 -0.250 0.000 2.587 293 N HA -0.089 4.651 4.740 -0.000 0.000 0.341 293 N C -0.963 174.457 175.510 -0.150 0.000 0.585 293 N CA 0.107 53.042 53.050 -0.192 0.000 1.401 293 N CB 0.339 38.781 38.487 -0.077 0.000 1.700 293 N HN 0.181 nan 8.380 nan 0.000 1.698 294 Y N 1.099 121.318 120.300 -0.135 0.000 3.141 294 Y HA 0.399 4.949 4.550 -0.000 0.000 0.290 294 Y C -0.908 174.897 175.900 -0.158 0.000 1.817 294 Y CA -0.658 57.368 58.100 -0.124 0.000 1.067 294 Y CB 0.528 38.931 38.460 -0.095 0.000 1.645 294 Y HN -0.007 nan 8.280 nan 0.000 0.470 295 D N 0.531 121.010 120.400 0.132 0.000 3.179 295 D HA 0.324 4.964 4.640 -0.000 0.000 0.267 295 D C -1.115 175.042 176.300 -0.238 0.000 1.348 295 D CA 0.202 54.101 54.000 -0.169 0.000 0.897 295 D CB 0.206 40.896 40.800 -0.183 0.000 1.062 295 D HN 0.032 nan 8.370 nan 0.000 0.494 296 V N 1.049 120.893 119.914 -0.117 0.000 2.405 296 V HA 0.052 4.172 4.120 -0.000 0.000 0.264 296 V C 0.731 176.827 176.094 0.004 0.000 1.048 296 V CA -0.120 62.164 62.300 -0.026 0.000 0.966 296 V CB 0.529 32.390 31.823 0.064 0.000 1.015 296 V HN 0.453 nan 8.190 nan 0.000 0.477 297 H N 2.953 122.019 119.070 -0.006 0.000 2.550 297 H HA 0.207 4.763 4.556 -0.000 0.000 0.304 297 H C 0.790 176.206 175.328 0.146 0.000 1.086 297 H CA -0.512 55.502 56.048 -0.057 0.000 1.089 297 H CB -0.162 29.361 29.762 -0.398 0.000 1.528 297 H HN 0.927 nan 8.280 nan 0.000 0.539 298 H N -1.446 117.759 119.070 0.224 0.000 3.004 298 H HA -0.022 4.534 4.556 -0.000 0.000 0.316 298 H C -0.135 175.627 175.328 0.724 0.000 1.014 298 H CA -0.851 55.447 56.048 0.416 0.000 1.454 298 H CB 0.113 30.009 29.762 0.224 0.000 1.472 298 H HN 0.450 nan 8.280 nan 0.000 0.571 299 W N 3.397 125.046 121.300 0.582 0.000 2.313 299 W HA 0.464 5.124 4.660 -0.000 0.000 0.328 299 W C -0.277 176.447 176.519 0.342 0.000 1.197 299 W CA -1.648 56.006 57.345 0.515 0.000 1.235 299 W CB 0.788 30.534 29.460 0.476 0.000 1.158 299 W HN 0.571 nan 8.180 nan 0.000 0.578 300 R N 2.108 122.786 120.500 0.296 0.000 2.536 300 R HA 0.708 5.048 4.340 -0.000 0.000 0.279 300 R C -0.255 175.866 176.300 -0.299 0.000 1.001 300 R CA -0.463 55.386 56.100 -0.419 0.000 1.027 300 R CB 1.340 31.174 30.300 -0.777 0.000 1.096 300 R HN 0.883 nan 8.270 nan 0.000 0.502 301 G N 2.661 111.209 108.800 -0.420 0.000 2.619 301 G HA2 0.568 4.528 3.960 -0.000 0.000 0.296 301 G HA3 0.568 4.528 3.960 -0.000 0.000 0.296 301 G C -1.548 173.195 174.900 -0.261 0.000 1.334 301 G CA -0.757 44.184 45.100 -0.266 0.000 0.934 301 G HN 0.453 nan 8.290 nan 0.000 0.476 302 L N 1.351 122.489 121.223 -0.141 0.000 2.303 302 L HA 0.614 4.954 4.340 -0.000 0.000 0.266 302 L C -1.911 174.931 176.870 -0.047 0.000 1.011 302 L CA -2.057 52.718 54.840 -0.110 0.000 0.818 302 L CB 3.118 45.128 42.059 -0.082 0.000 1.326 302 L HN 0.351 nan 8.230 nan 0.000 0.435 303 P HA 0.339 nan 4.420 nan 0.000 0.281 303 P C -1.585 175.779 177.300 0.107 0.000 1.281 303 P CA -0.748 62.391 63.100 0.064 0.000 0.811 303 P CB 1.567 33.302 31.700 0.058 0.000 1.154 304 R N -0.007 120.636 120.500 0.239 0.000 2.621 304 R HA 0.392 4.732 4.340 -0.000 0.000 0.284 304 R C -1.425 175.169 176.300 0.491 0.000 0.998 304 R CA -0.750 55.511 56.100 0.268 0.000 0.895 304 R CB 1.319 31.772 30.300 0.255 0.000 1.195 304 R HN 0.485 nan 8.270 nan 0.000 0.450 305 Y N 3.583 123.974 120.300 0.152 0.000 2.335 305 Y HA 0.551 5.101 4.550 -0.000 0.000 0.323 305 Y C -1.523 174.470 175.900 0.156 0.000 1.224 305 Y CA -0.365 57.881 58.100 0.242 0.000 1.241 305 Y CB 0.932 39.423 38.460 0.051 0.000 1.235 305 Y HN 0.485 nan 8.280 nan 0.000 0.492 306 F N 4.220 123.958 119.950 -0.353 0.000 2.573 306 F HA 0.377 4.904 4.527 -0.000 0.000 0.316 306 F C -0.692 174.893 175.800 -0.358 0.000 1.148 306 F CA -1.206 56.701 58.000 -0.155 0.000 0.940 306 F CB 1.951 40.898 39.000 -0.088 0.000 1.214 306 F HN 0.345 nan 8.300 nan 0.000 0.448 307 K N 4.714 125.211 120.400 0.162 0.000 2.527 307 K HA 0.569 4.889 4.320 -0.000 0.000 0.240 307 K C -1.483 175.193 176.600 0.127 0.000 0.989 307 K CA -0.512 55.857 56.287 0.136 0.000 0.985 307 K CB 0.585 33.299 32.500 0.358 0.000 1.221 307 K HN 0.530 nan 8.250 nan 0.000 0.458 308 I N 2.975 123.595 120.570 0.083 0.000 2.342 308 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 308 I C 0.061 176.196 176.117 0.030 0.000 1.010 308 I CA -0.069 61.277 61.300 0.077 0.000 1.308 308 I CB 1.755 39.794 38.000 0.065 0.000 1.400 308 I HN 0.400 nan 8.210 nan 0.000 0.488 309 T N 7.580 122.162 114.554 0.046 0.000 2.758 309 T HA 0.795 5.144 4.350 -0.000 0.000 0.285 309 T C -0.454 174.269 174.700 0.037 0.000 0.981 309 T CA -0.634 61.487 62.100 0.034 0.000 0.965 309 T CB 0.631 69.529 68.868 0.049 0.000 0.927 309 T HN 0.385 nan 8.240 nan 0.000 0.448 310 L N 0.537 121.772 121.223 0.020 0.000 2.469 310 L HA 0.888 5.228 4.340 -0.000 0.000 0.256 310 L C -0.501 176.455 176.870 0.144 0.000 1.006 310 L CA -1.398 53.480 54.840 0.064 0.000 0.832 310 L CB 1.838 43.920 42.059 0.038 0.000 1.421 310 L HN 0.697 nan 8.230 nan 0.000 0.410 311 R N -0.274 120.356 120.500 0.216 0.000 2.960 311 R HA 0.708 5.048 4.340 -0.000 0.000 0.249 311 R C -1.182 175.253 176.300 0.224 0.000 1.192 311 R CA -1.068 55.174 56.100 0.237 0.000 1.035 311 R CB 1.371 31.732 30.300 0.101 0.000 1.234 311 R HN 0.559 nan 8.270 nan 0.000 0.493 312 K N 1.519 121.906 120.400 -0.022 0.000 2.250 312 K HA 0.249 4.569 4.320 -0.000 0.000 0.280 312 K C -0.485 175.889 176.600 -0.376 0.000 1.098 312 K CA -0.365 55.709 56.287 -0.355 0.000 0.916 312 K CB 1.328 33.539 32.500 -0.481 0.000 1.209 312 K HN 0.343 nan 8.250 nan 0.000 0.461 313 R N 2.085 122.387 120.500 -0.330 0.000 2.474 313 R HA 0.244 4.584 4.340 -0.000 0.000 0.295 313 R C -0.908 175.198 176.300 -0.324 0.000 0.980 313 R CA -0.552 55.401 56.100 -0.246 0.000 0.934 313 R CB 0.918 31.176 30.300 -0.069 0.000 1.101 313 R HN 0.508 nan 8.270 nan 0.000 0.469 314 W N 3.952 125.230 121.300 -0.037 0.000 2.316 314 W HA 0.344 5.004 4.660 0.000 0.000 0.311 314 W C -0.254 176.244 176.519 -0.034 0.000 1.217 314 W CA -0.431 56.888 57.345 -0.042 0.000 1.199 314 W CB 1.178 30.616 29.460 -0.036 0.000 1.202 314 W HN 0.208 nan 8.180 nan 0.000 0.528 315 V N 1.737 121.849 119.914 0.329 0.000 3.105 315 V HA 0.614 4.734 4.120 -0.000 0.000 0.311 315 V C -0.800 175.371 176.094 0.128 0.000 1.282 315 V CA -1.394 60.998 62.300 0.154 0.000 1.065 315 V CB 1.792 33.667 31.823 0.086 0.000 1.136 315 V HN 0.299 nan 8.190 nan 0.000 0.469 316 K N 1.069 121.497 120.400 0.047 0.000 2.482 316 K HA 0.367 4.687 4.320 -0.000 0.000 0.251 316 K C -0.704 175.879 176.600 -0.028 0.000 0.936 316 K CA -0.412 55.879 56.287 0.008 0.000 0.791 316 K CB 1.589 34.078 32.500 -0.018 0.000 1.213 316 K HN 0.760 nan 8.250 nan 0.000 0.428 317 N N 5.814 124.500 118.700 -0.023 0.000 2.452 317 N HA 0.065 4.805 4.740 -0.000 0.000 0.266 317 N C -1.530 173.906 175.510 -0.124 0.000 1.175 317 N CA -1.320 51.699 53.050 -0.051 0.000 0.945 317 N CB 0.950 39.442 38.487 0.008 0.000 1.063 317 N HN 0.525 nan 8.380 nan 0.000 0.472 318 P HA -0.066 nan 4.420 nan 0.000 0.217 318 P C -0.040 177.071 177.300 -0.315 0.000 1.154 318 P CA 1.004 63.855 63.100 -0.415 0.000 0.841 318 P CB 0.110 31.330 31.700 -0.800 0.000 0.788 319 Y N 1.640 121.941 120.300 0.002 0.000 2.258 319 Y HA 0.343 4.893 4.550 -0.000 0.000 0.345 319 Y C -1.612 174.287 175.900 -0.001 0.000 1.303 319 Y CA -2.499 55.601 58.100 0.000 0.000 1.537 319 Y CB -1.174 37.285 38.460 -0.001 0.000 1.383 319 Y HN 0.039 nan 8.280 nan 0.000 0.606 320 P HA 0.220 nan 4.420 nan 0.000 0.306 320 P C 0.312 177.652 177.300 0.067 0.000 1.399 320 P CA -0.699 62.459 63.100 0.096 0.000 0.992 320 P CB 1.931 33.676 31.700 0.075 0.000 1.148 321 M N 3.246 122.872 119.600 0.044 0.000 2.270 321 M HA -0.364 4.116 4.480 -0.000 0.000 0.254 321 M C 1.736 178.045 176.300 0.014 0.000 1.072 321 M CA 3.244 58.557 55.300 0.022 0.000 1.077 321 M CB -0.927 31.682 32.600 0.015 0.000 1.288 321 M HN 0.519 nan 8.290 nan 0.000 0.424 322 A N -0.394 122.440 122.820 0.023 0.000 1.870 322 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 322 A C 2.166 179.762 177.584 0.019 0.000 1.286 322 A CA 3.321 55.374 52.037 0.026 0.000 0.682 322 A CB -1.727 17.291 19.000 0.030 0.000 0.844 322 A HN 0.714 nan 8.150 nan 0.000 0.460 323 S N -0.525 115.185 115.700 0.016 0.000 2.369 323 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 323 S C 1.955 176.537 174.600 -0.031 0.000 1.043 323 S CA 1.942 60.137 58.200 -0.008 0.000 1.074 323 S CB -0.776 62.412 63.200 -0.019 0.000 0.962 323 S HN 0.439 nan 8.310 nan 0.000 0.433 324 L N 0.329 121.534 121.223 -0.029 0.000 1.991 324 L HA -0.219 4.121 4.340 -0.000 0.000 0.221 324 L C 2.454 179.279 176.870 -0.074 0.000 1.079 324 L CA 1.707 56.518 54.840 -0.049 0.000 0.778 324 L CB -0.768 41.282 42.059 -0.016 0.000 0.893 324 L HN 0.343 nan 8.230 nan 0.000 0.437 325 I N -0.617 119.908 120.570 -0.076 0.000 2.076 325 I HA -0.344 3.826 4.170 -0.000 0.000 0.237 325 I C 2.849 178.910 176.117 -0.092 0.000 1.059 325 I CA 1.810 63.016 61.300 -0.157 0.000 1.317 325 I CB -0.676 37.263 38.000 -0.103 0.000 1.037 325 I HN 0.224 nan 8.210 nan 0.000 0.398 326 S N -0.151 115.572 115.700 0.040 0.000 2.380 326 S HA -0.307 4.163 4.470 -0.000 0.000 0.229 326 S C 2.315 176.965 174.600 0.083 0.000 1.050 326 S CA 2.412 60.685 58.200 0.122 0.000 1.100 326 S CB -0.562 62.682 63.200 0.073 0.000 0.984 326 S HN 0.512 nan 8.310 nan 0.000 0.434 327 S N 2.088 117.792 115.700 0.005 0.000 2.377 327 S HA -0.186 4.284 4.470 -0.000 0.000 0.224 327 S C 1.792 176.390 174.600 -0.003 0.000 1.042 327 S CA 1.619 59.809 58.200 -0.018 0.000 1.086 327 S CB -1.077 62.081 63.200 -0.071 0.000 0.995 327 S HN 0.608 nan 8.310 nan 0.000 0.428 328 L N 1.237 122.428 121.223 -0.053 0.000 1.991 328 L HA -0.184 4.156 4.340 -0.000 0.000 0.221 328 L C 1.963 178.835 176.870 0.003 0.000 1.079 328 L CA 2.030 56.819 54.840 -0.085 0.000 0.778 328 L CB -1.189 40.742 42.059 -0.213 0.000 0.893 328 L HN 0.179 nan 8.230 nan 0.000 0.437 329 F N 0.651 120.593 119.950 -0.013 0.000 2.046 329 F HA -0.189 4.338 4.527 -0.000 0.000 0.297 329 F C 2.521 178.313 175.800 -0.013 0.000 1.123 329 F CA 1.921 59.914 58.000 -0.011 0.000 1.199 329 F CB -1.397 37.597 39.000 -0.010 0.000 0.972 329 F HN 0.284 nan 8.300 nan 0.000 0.474 330 N N -0.167 118.663 118.700 0.218 0.000 2.322 330 N HA -0.233 4.507 4.740 -0.000 0.000 0.189 330 N C 1.175 176.726 175.510 0.068 0.000 1.012 330 N CA 1.312 54.422 53.050 0.100 0.000 0.880 330 N CB -0.308 38.216 38.487 0.061 0.000 0.967 330 N HN 0.366 nan 8.380 nan 0.000 0.439 331 N N -1.016 117.727 118.700 0.071 0.000 2.333 331 N HA 0.012 4.752 4.740 -0.000 0.000 0.178 331 N C 1.244 176.785 175.510 0.052 0.000 1.018 331 N CA 0.521 53.596 53.050 0.042 0.000 0.882 331 N CB 0.099 38.600 38.487 0.022 0.000 0.984 331 N HN 0.107 nan 8.380 nan 0.000 0.434 332 M N 0.618 120.272 119.600 0.091 0.000 2.066 332 M HA 0.008 4.488 4.480 -0.000 0.000 0.259 332 M C -0.153 176.182 176.300 0.059 0.000 1.074 332 M CA 0.970 56.325 55.300 0.092 0.000 1.114 332 M CB -0.376 32.330 32.600 0.177 0.000 1.306 332 M HN -0.010 nan 8.290 nan 0.000 0.411 333 L N 2.440 123.695 121.223 0.054 0.000 2.559 333 L HA 0.085 4.425 4.340 -0.000 0.000 0.274 333 L C -1.752 175.127 176.870 0.013 0.000 1.205 333 L CA -1.015 53.834 54.840 0.016 0.000 0.907 333 L CB -1.438 40.616 42.059 -0.009 0.000 1.153 333 L HN 0.211 nan 8.230 nan 0.000 0.490 334 P HA 0.025 nan 4.420 nan 0.000 0.272 334 P C -0.437 176.863 177.300 0.001 0.000 1.254 334 P CA -0.582 62.520 63.100 0.005 0.000 0.795 334 P CB 0.818 32.519 31.700 0.002 0.000 1.022 335 Q N 0.050 119.851 119.800 0.001 0.000 2.267 335 Q HA 0.357 4.697 4.340 -0.000 0.000 0.255 335 Q C -0.363 175.636 176.000 -0.002 0.000 0.923 335 Q CA -0.484 55.319 55.803 -0.000 0.000 0.925 335 Q CB 1.153 29.891 28.738 0.001 0.000 1.195 335 Q HN 0.274 nan 8.270 nan 0.000 0.417 336 V N 0.568 120.479 119.914 -0.004 0.000 2.715 336 V HA 0.448 4.568 4.120 -0.000 0.000 0.310 336 V C 0.334 176.426 176.094 -0.004 0.000 1.054 336 V CA -0.827 61.470 62.300 -0.005 0.000 0.928 336 V CB 1.836 33.654 31.823 -0.008 0.000 1.007 336 V HN 0.529 nan 8.190 nan 0.000 0.437 337 Q N 2.392 122.190 119.800 -0.004 0.000 1.786 337 Q HA 0.566 4.906 4.340 -0.000 0.000 0.353 337 Q C 1.220 177.218 176.000 -0.003 0.000 0.943 337 Q CA 1.574 57.375 55.803 -0.003 0.000 0.879 337 Q CB -0.767 27.970 28.738 -0.002 0.000 1.049 337 Q HN 1.676 nan 8.270 nan 0.000 0.435 338 G N 0.316 109.114 108.800 -0.003 0.000 2.907 338 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.242 338 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.242 338 G C -0.720 174.178 174.900 -0.003 0.000 1.448 338 G CA 0.083 45.180 45.100 -0.004 0.000 0.911 338 G HN 0.363 nan 8.290 nan 0.000 0.553 339 Q N 0.146 119.944 119.800 -0.003 0.000 2.492 339 Q HA 0.316 4.656 4.340 -0.000 0.000 0.238 339 Q C -1.938 174.061 176.000 -0.001 0.000 1.045 339 Q CA -0.675 55.127 55.803 -0.001 0.000 0.934 339 Q CB 0.297 29.034 28.738 -0.001 0.000 1.276 339 Q HN 0.371 nan 8.270 nan 0.000 0.521 340 P HA 0.091 nan 4.420 nan 0.000 0.268 340 P C -0.571 176.729 177.300 0.001 0.000 1.541 340 P CA 0.084 63.184 63.100 0.001 0.000 1.093 340 P CB 0.358 32.059 31.700 0.002 0.000 1.551 341 M N 1.174 120.773 119.600 -0.000 0.000 2.505 341 M HA 0.157 4.637 4.480 -0.000 0.000 0.230 341 M C 0.643 176.944 176.300 0.001 0.000 1.153 341 M CA 0.368 55.667 55.300 -0.000 0.000 0.997 341 M CB -0.958 31.641 32.600 -0.002 0.000 1.606 341 M HN 0.321 nan 8.290 nan 0.000 0.481 342 E N -1.153 119.049 120.200 0.002 0.000 2.437 342 E HA 0.561 4.911 4.350 -0.000 0.000 0.280 342 E C -0.198 176.405 176.600 0.004 0.000 1.044 342 E CA 0.180 56.582 56.400 0.003 0.000 0.826 342 E CB 1.702 31.403 29.700 0.002 0.000 1.358 342 E HN 0.210 nan 8.360 nan 0.000 0.459 343 G N 2.150 110.954 108.800 0.006 0.000 2.408 343 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.204 343 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.204 343 G C 0.246 175.150 174.900 0.007 0.000 1.186 343 G CA 0.213 45.317 45.100 0.006 0.000 1.139 343 G HN 0.478 nan 8.290 nan 0.000 0.563 344 E N 0.383 120.587 120.200 0.007 0.000 2.132 344 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 344 E C 1.394 177.999 176.600 0.008 0.000 0.951 344 E CA 0.688 57.092 56.400 0.008 0.000 0.843 344 E CB -0.128 29.576 29.700 0.007 0.000 0.807 344 E HN 0.383 nan 8.360 nan 0.000 0.467 345 N N 1.345 120.049 118.700 0.007 0.000 2.575 345 N HA 0.042 4.782 4.740 -0.000 0.000 0.275 345 N C -0.744 174.770 175.510 0.006 0.000 1.202 345 N CA 0.076 53.130 53.050 0.006 0.000 0.945 345 N CB 0.275 38.765 38.487 0.005 0.000 1.247 345 N HN -0.117 nan 8.380 nan 0.000 0.510 346 T N 1.333 115.892 114.554 0.007 0.000 2.822 346 T HA -0.039 4.311 4.350 -0.000 0.000 0.288 346 T C 1.301 176.005 174.700 0.007 0.000 0.991 346 T CA 0.253 62.357 62.100 0.006 0.000 1.176 346 T CB 0.560 69.433 68.868 0.008 0.000 0.951 346 T HN 0.268 nan 8.240 nan 0.000 0.526 347 Q N 1.551 121.354 119.800 0.005 0.000 2.291 347 Q HA 0.129 4.469 4.340 -0.000 0.000 0.211 347 Q C 0.074 176.077 176.000 0.005 0.000 0.925 347 Q CA -0.041 55.765 55.803 0.004 0.000 0.949 347 Q CB 0.036 28.775 28.738 0.003 0.000 1.015 347 Q HN 0.429 nan 8.270 nan 0.000 0.477 348 V N 1.148 121.065 119.914 0.006 0.000 2.465 348 V HA 0.045 4.165 4.120 -0.000 0.000 0.279 348 V C 0.955 177.055 176.094 0.010 0.000 1.045 348 V CA 0.088 62.392 62.300 0.007 0.000 0.938 348 V CB 1.656 33.483 31.823 0.006 0.000 0.986 348 V HN 0.287 nan 8.190 nan 0.000 0.467 349 E N 2.453 122.660 120.200 0.011 0.000 2.413 349 E HA 0.189 4.539 4.350 -0.000 0.000 0.203 349 E C 0.386 176.997 176.600 0.019 0.000 0.957 349 E CA 0.202 56.610 56.400 0.014 0.000 0.950 349 E CB 0.824 30.531 29.700 0.013 0.000 0.957 349 E HN 0.856 nan 8.360 nan 0.000 0.497 350 E N -1.173 119.036 120.200 0.017 0.000 2.389 350 E HA 0.287 4.637 4.350 -0.000 0.000 0.281 350 E C -1.890 174.718 176.600 0.013 0.000 1.111 350 E CA -0.651 55.760 56.400 0.018 0.000 0.869 350 E CB 1.338 31.054 29.700 0.026 0.000 1.259 350 E HN -0.116 nan 8.360 nan 0.000 0.434 351 V N 1.571 121.487 119.914 0.004 0.000 2.969 351 V HA 0.703 4.823 4.120 -0.000 0.000 0.304 351 V C -0.915 175.164 176.094 -0.025 0.000 1.192 351 V CA -0.818 61.480 62.300 -0.002 0.000 0.962 351 V CB 1.923 33.735 31.823 -0.017 0.000 1.045 351 V HN 0.813 nan 8.190 nan 0.000 0.428 352 R N 2.201 122.698 120.500 -0.006 0.000 2.799 352 R HA 0.936 5.276 4.340 -0.000 0.000 0.270 352 R C -2.048 174.234 176.300 -0.030 0.000 1.010 352 R CA -0.806 55.247 56.100 -0.077 0.000 0.916 352 R CB 2.239 32.492 30.300 -0.077 0.000 1.228 352 R HN 0.376 nan 8.270 nan 0.000 0.469 353 V N 1.631 121.449 119.914 -0.160 0.000 2.733 353 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 353 V C -1.553 174.474 176.094 -0.111 0.000 1.084 353 V CA -0.784 61.510 62.300 -0.010 0.000 0.905 353 V CB 1.704 33.503 31.823 -0.039 0.000 1.010 353 V HN 0.653 nan 8.190 nan 0.000 0.424 354 Y N 1.791 122.079 120.300 -0.020 0.000 2.598 354 Y HA 0.730 5.280 4.550 -0.000 0.000 0.340 354 Y C 0.567 176.461 175.900 -0.011 0.000 1.038 354 Y CA -1.341 56.751 58.100 -0.013 0.000 1.100 354 Y CB 1.824 40.280 38.460 -0.007 0.000 1.281 354 Y HN 0.638 nan 8.280 nan 0.000 0.488 355 D N -1.459 119.051 120.400 0.182 0.000 1.979 355 D HA 0.155 4.795 4.640 -0.000 0.000 0.399 355 D C 0.936 177.284 176.300 0.081 0.000 1.016 355 D CA 0.677 54.736 54.000 0.099 0.000 0.928 355 D CB 0.216 41.050 40.800 0.057 0.000 1.739 355 D HN 0.754 nan 8.370 nan 0.000 0.537 356 G N -0.603 108.250 108.800 0.088 0.000 2.546 356 G HA2 0.491 4.451 3.960 -0.000 0.000 0.239 356 G HA3 0.491 4.451 3.960 -0.000 0.000 0.239 356 G C -0.507 174.435 174.900 0.070 0.000 1.476 356 G CA 0.509 45.648 45.100 0.066 0.000 1.064 356 G HN 0.221 nan 8.290 nan 0.000 0.561 357 T N -0.911 113.677 114.554 0.056 0.000 3.505 357 T HA 0.400 4.750 4.350 -0.000 0.000 0.308 357 T C -0.522 174.203 174.700 0.042 0.000 0.767 357 T CA -0.672 61.456 62.100 0.048 0.000 1.194 357 T CB 0.828 69.714 68.868 0.030 0.000 0.997 357 T HN 0.777 nan 8.240 nan 0.000 0.504 358 E N 2.012 122.242 120.200 0.051 0.000 2.254 358 E HA 0.689 5.039 4.350 -0.000 0.000 0.261 358 E C -2.689 173.933 176.600 0.037 0.000 1.051 358 E CA -2.162 54.263 56.400 0.041 0.000 0.902 358 E CB 0.369 30.095 29.700 0.043 0.000 1.168 358 E HN 0.213 nan 8.360 nan 0.000 0.423 359 P HA 0.085 nan 4.420 nan 0.000 0.285 359 P C -0.884 176.435 177.300 0.031 0.000 1.259 359 P CA -0.627 62.489 63.100 0.026 0.000 0.794 359 P CB 1.049 32.761 31.700 0.021 0.000 0.940 360 V N 2.593 122.525 119.914 0.030 0.000 2.810 360 V HA -0.037 4.083 4.120 -0.000 0.000 0.290 360 V C -1.650 174.465 176.094 0.035 0.000 1.029 360 V CA -1.146 61.175 62.300 0.034 0.000 1.219 360 V CB -1.512 30.327 31.823 0.027 0.000 0.829 360 V HN 0.521 nan 8.190 nan 0.000 0.457 361 P HA 0.232 nan 4.420 nan 0.000 0.276 361 P C 1.173 178.498 177.300 0.043 0.000 1.230 361 P CA 0.398 63.524 63.100 0.043 0.000 0.776 361 P CB 1.582 33.314 31.700 0.053 0.000 0.888 362 G N 2.831 111.655 108.800 0.039 0.000 2.459 362 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 362 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 362 G C 0.413 175.340 174.900 0.044 0.000 1.183 362 G CA 0.642 45.764 45.100 0.037 0.000 0.776 362 G HN 0.583 nan 8.290 nan 0.000 0.552 363 D N -0.093 120.343 120.400 0.060 0.000 2.329 363 D HA 0.353 4.993 4.640 -0.000 0.000 0.232 363 D C -1.558 174.791 176.300 0.082 0.000 1.088 363 D CA -2.130 51.915 54.000 0.074 0.000 0.835 363 D CB 2.204 43.074 40.800 0.116 0.000 1.078 363 D HN -0.021 nan 8.370 nan 0.000 0.495 364 P HA -0.000 nan 4.420 nan 0.000 0.216 364 P C 0.124 177.469 177.300 0.075 0.000 1.156 364 P CA 0.363 63.502 63.100 0.064 0.000 0.855 364 P CB 0.309 32.033 31.700 0.040 0.000 0.786 365 D N 0.490 120.912 120.400 0.037 0.000 2.671 365 D HA 0.085 4.725 4.640 -0.000 0.000 0.228 365 D C -0.183 176.216 176.300 0.164 0.000 1.102 365 D CA 0.042 54.042 54.000 0.001 0.000 1.044 365 D CB -0.913 39.787 40.800 -0.167 0.000 1.113 365 D HN -0.015 nan 8.370 nan 0.000 0.480 366 M N 0.715 120.493 119.600 0.297 0.000 2.662 366 M HA 0.477 4.957 4.480 -0.000 0.000 0.310 366 M C -1.112 175.364 176.300 0.293 0.000 1.204 366 M CA -0.416 55.126 55.300 0.404 0.000 0.891 366 M CB 2.226 34.942 32.600 0.193 0.000 1.732 366 M HN -0.105 nan 8.290 nan 0.000 0.467 367 T N 2.012 116.622 114.554 0.095 0.000 2.942 367 T HA 0.703 5.053 4.350 -0.000 0.000 0.289 367 T C -1.278 173.397 174.700 -0.041 0.000 1.044 367 T CA -0.706 61.394 62.100 -0.001 0.000 1.023 367 T CB 1.700 70.497 68.868 -0.118 0.000 1.123 367 T HN 0.734 nan 8.240 nan 0.000 0.512 368 R N 1.240 121.723 120.500 -0.029 0.000 2.523 368 R HA 0.432 4.772 4.340 -0.000 0.000 0.278 368 R C -2.394 173.913 176.300 0.011 0.000 1.150 368 R CA -0.643 55.446 56.100 -0.018 0.000 0.987 368 R CB 1.134 31.403 30.300 -0.052 0.000 1.232 368 R HN 0.635 nan 8.270 nan 0.000 0.424 369 Y N 3.784 124.046 120.300 -0.063 0.000 2.386 369 Y HA 0.343 4.893 4.550 -0.000 0.000 0.334 369 Y C -1.025 174.851 175.900 -0.039 0.000 1.002 369 Y CA -0.974 57.094 58.100 -0.054 0.000 1.068 369 Y CB 1.977 40.405 38.460 -0.052 0.000 1.203 369 Y HN 0.289 nan 8.280 nan 0.000 0.443 370 V N 7.289 127.396 119.914 0.322 0.000 2.096 370 V HA 0.081 4.201 4.120 -0.000 0.000 0.259 370 V C 0.653 176.952 176.094 0.342 0.000 1.420 370 V CA -0.285 62.147 62.300 0.219 0.000 1.336 370 V CB -0.449 31.428 31.823 0.090 0.000 1.394 370 V HN 0.810 nan 8.190 nan 0.000 0.494 371 D N 3.371 123.934 120.400 0.271 0.000 2.708 371 D HA -0.253 4.387 4.640 -0.000 0.000 0.217 371 D C 1.925 178.160 176.300 -0.108 0.000 1.094 371 D CA 2.448 56.376 54.000 -0.120 0.000 0.941 371 D CB 0.022 40.715 40.800 -0.178 0.000 1.220 371 D HN 0.724 nan 8.370 nan 0.000 0.495 372 R N -2.225 118.121 120.500 -0.257 0.000 2.496 372 R HA 0.233 4.573 4.340 -0.000 0.000 0.369 372 R C 0.220 176.089 176.300 -0.719 0.000 0.896 372 R CA -0.085 55.714 56.100 -0.502 0.000 1.147 372 R CB 0.051 29.918 30.300 -0.721 0.000 1.697 372 R HN 0.217 nan 8.270 nan 0.000 0.518 373 F N 0.774 120.732 119.950 0.013 0.000 1.963 373 F HA 0.555 5.082 4.527 -0.000 0.000 0.218 373 F C 1.265 177.074 175.800 0.015 0.000 1.249 373 F CA 0.322 58.327 58.000 0.008 0.000 1.294 373 F CB -0.372 38.625 39.000 -0.005 0.000 1.877 373 F HN 0.038 nan 8.300 nan 0.000 0.210 374 G N 0.307 109.260 108.800 0.255 0.000 2.597 374 G HA2 0.479 4.439 3.960 -0.000 0.000 0.317 374 G HA3 0.479 4.439 3.960 -0.000 0.000 0.317 374 G C -1.253 173.714 174.900 0.110 0.000 1.230 374 G CA -0.748 44.433 45.100 0.134 0.000 0.996 374 G HN 0.214 nan 8.290 nan 0.000 0.490 375 K N -0.276 120.167 120.400 0.073 0.000 2.339 375 K HA 0.315 4.635 4.320 -0.000 0.000 0.286 375 K C -0.526 176.105 176.600 0.051 0.000 1.050 375 K CA -0.117 56.206 56.287 0.060 0.000 0.956 375 K CB 0.663 33.180 32.500 0.029 0.000 0.990 375 K HN 0.454 nan 8.250 nan 0.000 0.475 376 T N 1.082 115.671 114.554 0.058 0.000 2.794 376 T HA 0.353 4.703 4.350 -0.000 0.000 0.280 376 T C -0.544 174.161 174.700 0.007 0.000 0.987 376 T CA -1.028 61.091 62.100 0.031 0.000 0.993 376 T CB 1.244 70.129 68.868 0.029 0.000 0.939 376 T HN 0.546 nan 8.240 nan 0.000 0.449 377 K N 2.558 122.952 120.400 -0.010 0.000 2.263 377 K HA 0.523 4.843 4.320 -0.000 0.000 0.272 377 K C -0.481 176.083 176.600 -0.059 0.000 1.033 377 K CA -0.534 55.737 56.287 -0.026 0.000 0.884 377 K CB 1.323 33.818 32.500 -0.008 0.000 1.107 377 K HN 0.667 nan 8.250 nan 0.000 0.460 378 T N 1.496 115.976 114.554 -0.125 0.000 2.856 378 T HA 0.295 4.645 4.350 -0.000 0.000 0.283 378 T C 0.561 175.040 174.700 -0.368 0.000 1.008 378 T CA -0.940 61.035 62.100 -0.208 0.000 0.997 378 T CB 1.461 70.185 68.868 -0.240 0.000 0.992 378 T HN 0.356 nan 8.240 nan 0.000 0.454 379 V N 0.123 119.889 119.914 -0.246 0.000 3.851 379 V HA 0.670 4.790 4.120 -0.000 0.000 0.268 379 V C -0.646 175.151 176.094 -0.496 0.000 0.933 379 V CA -0.233 61.978 62.300 -0.147 0.000 0.934 379 V CB -0.186 31.653 31.823 0.027 0.000 1.231 379 V HN 0.675 nan 8.190 nan 0.000 0.412 380 F N -1.636 118.321 119.950 0.011 0.000 2.576 380 F HA 0.678 5.205 4.527 -0.000 0.000 0.313 380 F C -2.243 173.562 175.800 0.009 0.000 1.078 380 F CA -2.363 55.643 58.000 0.011 0.000 0.921 380 F CB 0.493 39.500 39.000 0.012 0.000 1.232 380 F HN 0.345 nan 8.300 nan 0.000 0.459 381 P HA -0.008 nan 4.420 nan 0.000 0.233 381 P C 0.470 177.813 177.300 0.073 0.000 1.040 381 P CA 1.374 64.524 63.100 0.084 0.000 0.831 381 P CB -0.296 31.453 31.700 0.082 0.000 0.734 382 G N 1.083 109.913 108.800 0.049 0.000 4.589 382 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 382 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 382 G C -0.015 174.900 174.900 0.024 0.000 0.678 382 G CA -0.146 44.977 45.100 0.039 0.000 0.859 382 G HN 0.660 nan 8.290 nan 0.000 0.650 383 N N 0.000 118.710 118.700 0.016 0.000 1.763 383 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 383 N CA 0.000 53.052 53.050 0.003 0.000 0.885 383 N CB 0.000 38.482 38.487 -0.009 0.000 1.341 383 N HN 0.000 nan 8.380 nan 0.000 0.667