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 1r4n_1_H DATA FIRST_RESID 12 DATA SEQUENCE DWEGRWNHVK KFLERSGPFT HPDFEPSTES LQFLLDTCKV LVIGAGGLGC DATA SEQUENCE ELLKNLALSG FRQIHVIDMD TIDVSNLNRQ FLFRPKDIGR PKAEVAAEFL DATA SEQUENCE NDRVPNCNVV PHFNKIQDFN DTFYRQFHII VCGLDSIIAR RWINGMLISL DATA SEQUENCE LNYEDGVLDP SSIVPLIDGG TEGFKGNARV ILPGMTACIE CTLELYPPQV DATA SEQUENCE NFPMATIASM PRLPEHCIEY VRMLQWPKEQ PFGEGVPLDG DDPEHIQWIF DATA SEQUENCE QKSLERASQY NIRGVTYRLT QGVVKRIIPA VASTNAVIAA VCATEVFKIA DATA SEQUENCE TSAYIPLNNY LVFNDVDGLY TYTFEAERKE NCPACSQLPQ NIQFSPSAKL DATA SEQUENCE QEVLDYLTNS ASLQMKSPAI TATXXXXNRT LYLQSXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXVT SIEERTRXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXKE LGLVDXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGQ EXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV ADVTTPQTVL DATA SEQUENCE FKLHFT 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 12 D HA 0.000 nan 4.640 nan 0.000 0.175 12 D C 0.000 176.421 176.300 0.201 0.000 2.045 12 D CA 0.000 54.081 54.000 0.136 0.000 0.868 12 D CB 0.000 40.916 40.800 0.193 0.000 0.688 13 W N 0.478 121.835 121.300 0.094 0.000 3.047 13 W HA 0.738 5.398 4.660 0.000 0.000 0.341 13 W C -0.884 175.663 176.519 0.047 0.000 1.225 13 W CA -0.806 56.569 57.345 0.050 0.000 1.150 13 W CB 0.222 29.690 29.460 0.014 0.000 1.470 13 W HN -0.356 nan 8.180 nan 0.000 0.578 14 E N 1.095 121.566 120.200 0.453 0.000 2.406 14 E HA 0.322 4.673 4.350 0.000 0.000 0.258 14 E C 1.090 177.876 176.600 0.309 0.000 1.043 14 E CA 1.904 58.479 56.400 0.292 0.000 0.929 14 E CB 0.526 30.351 29.700 0.209 0.000 0.969 14 E HN 1.035 nan 8.360 nan 0.000 0.462 15 G N 4.502 113.387 108.800 0.142 0.000 2.205 15 G HA2 -0.414 3.546 3.960 0.000 0.000 0.261 15 G HA3 -0.414 3.546 3.960 0.000 0.000 0.261 15 G C 1.250 176.163 174.900 0.021 0.000 0.980 15 G CA 0.674 45.846 45.100 0.120 0.000 0.632 15 G HN 0.578 nan 8.290 nan 0.000 0.533 16 R N -0.303 120.030 120.500 -0.279 0.000 2.122 16 R HA -0.134 4.206 4.340 0.000 0.000 0.236 16 R C 1.745 177.693 176.300 -0.586 0.000 1.129 16 R CA 2.339 57.987 56.100 -0.754 0.000 0.925 16 R CB -0.350 28.814 30.300 -1.892 0.000 0.850 16 R HN 0.551 nan 8.270 nan 0.000 0.431 17 W N 0.929 122.131 121.300 -0.163 0.000 3.433 17 W HA 0.194 4.854 4.660 0.000 0.000 0.376 17 W C 1.016 177.580 176.519 0.075 0.000 1.160 17 W CA -0.628 56.693 57.345 -0.039 0.000 1.832 17 W CB -0.090 29.338 29.460 -0.053 0.000 1.011 17 W HN 0.280 nan 8.180 nan 0.000 0.766 18 N N 0.004 118.849 118.700 0.242 0.000 2.205 18 N HA -0.185 4.555 4.740 0.000 0.000 0.186 18 N C 0.901 176.550 175.510 0.231 0.000 1.015 18 N CA 1.235 54.416 53.050 0.219 0.000 0.862 18 N CB -0.389 38.194 38.487 0.160 0.000 0.986 18 N HN 0.223 nan 8.380 nan 0.000 0.429 19 H N -1.243 117.916 119.070 0.149 0.000 2.574 19 H HA 0.172 4.728 4.556 0.000 0.000 0.277 19 H C 0.820 176.301 175.328 0.255 0.000 1.058 19 H CA 0.228 56.387 56.048 0.185 0.000 1.171 19 H CB 0.233 30.049 29.762 0.090 0.000 1.304 19 H HN 0.041 nan 8.280 nan 0.000 0.620 20 V N -1.558 118.595 119.914 0.397 0.000 3.193 20 V HA -0.034 4.086 4.120 0.000 0.000 0.237 20 V C 1.902 178.267 176.094 0.452 0.000 1.447 20 V CA -0.033 62.499 62.300 0.386 0.000 1.227 20 V CB 0.398 32.424 31.823 0.338 0.000 1.040 20 V HN 0.130 nan 8.190 nan 0.000 0.458 21 K N 1.283 121.885 120.400 0.335 0.000 2.044 21 K HA -0.223 4.097 4.320 0.000 0.000 0.210 21 K C 1.973 178.714 176.600 0.235 0.000 1.049 21 K CA 1.797 58.234 56.287 0.250 0.000 0.927 21 K CB -0.245 32.362 32.500 0.180 0.000 0.713 21 K HN 0.363 nan 8.250 nan 0.000 0.443 22 K N -0.200 120.309 120.400 0.181 0.000 2.362 22 K HA -0.152 4.168 4.320 0.000 0.000 0.202 22 K C 1.530 178.066 176.600 -0.106 0.000 1.045 22 K CA 1.317 57.596 56.287 -0.014 0.000 0.936 22 K CB -0.105 32.293 32.500 -0.170 0.000 0.747 22 K HN 0.117 nan 8.250 nan 0.000 0.467 23 F N -0.785 119.274 119.950 0.182 0.000 2.731 23 F HA 0.158 4.685 4.527 0.000 0.000 0.298 23 F C 1.476 177.432 175.800 0.259 0.000 1.106 23 F CA 0.190 58.319 58.000 0.214 0.000 1.329 23 F CB 0.260 39.472 39.000 0.354 0.000 1.100 23 F HN -0.133 nan 8.300 nan 0.000 0.592 24 L N -1.072 120.430 121.223 0.466 0.000 2.500 24 L HA 0.149 4.489 4.340 0.000 0.000 0.219 24 L C 1.859 178.915 176.870 0.310 0.000 1.057 24 L CA 0.501 55.596 54.840 0.424 0.000 0.854 24 L CB -0.224 42.006 42.059 0.285 0.000 1.078 24 L HN 0.003 nan 8.230 nan 0.000 0.480 25 E N 0.818 121.147 120.200 0.214 0.000 2.230 25 E HA 0.030 4.380 4.350 0.000 0.000 0.192 25 E C 0.339 177.018 176.600 0.133 0.000 0.987 25 E CA 0.315 56.792 56.400 0.128 0.000 0.841 25 E CB 0.378 30.131 29.700 0.089 0.000 0.783 25 E HN 0.389 nan 8.360 nan 0.000 0.481 26 R N 1.303 121.889 120.500 0.144 0.000 2.474 26 R HA 0.255 4.595 4.340 0.000 0.000 0.295 26 R C 0.151 176.540 176.300 0.148 0.000 0.980 26 R CA -0.366 55.791 56.100 0.095 0.000 0.934 26 R CB 1.600 31.899 30.300 -0.002 0.000 1.101 26 R HN -0.012 nan 8.270 nan 0.000 0.469 27 S N 0.301 116.080 115.700 0.132 0.000 2.634 27 S HA 0.734 5.204 4.470 0.000 0.000 0.261 27 S C 0.398 174.973 174.600 -0.040 0.000 1.271 27 S CA -0.420 57.860 58.200 0.133 0.000 0.985 27 S CB 1.565 64.840 63.200 0.125 0.000 0.968 27 S HN 0.769 nan 8.310 nan 0.000 0.568 28 G N -0.829 107.913 108.800 -0.098 0.000 2.608 28 G HA2 0.556 4.516 3.960 0.000 0.000 0.291 28 G HA3 0.556 4.516 3.960 0.000 0.000 0.291 28 G C -2.877 171.996 174.900 -0.045 0.000 1.425 28 G CA -1.046 44.003 45.100 -0.084 0.000 0.787 28 G HN 0.479 nan 8.290 nan 0.000 0.484 29 P HA 0.129 nan 4.420 nan 0.000 0.214 29 P C 1.069 178.289 177.300 -0.134 0.000 1.162 29 P CA 0.794 63.857 63.100 -0.063 0.000 0.871 29 P CB 0.091 31.757 31.700 -0.057 0.000 0.783 30 F N -1.516 118.439 119.950 0.008 0.000 2.773 30 F HA 0.156 4.683 4.527 0.000 0.000 0.304 30 F C 1.236 177.013 175.800 -0.038 0.000 1.129 30 F CA -0.003 58.034 58.000 0.062 0.000 1.378 30 F CB -1.496 37.636 39.000 0.220 0.000 1.095 30 F HN -0.197 nan 8.300 nan 0.000 0.565 31 T N 0.257 114.769 114.554 -0.070 0.000 2.933 31 T HA -0.137 4.213 4.350 0.000 0.000 0.306 31 T C 0.027 174.681 174.700 -0.076 0.000 1.045 31 T CA 0.011 61.925 62.100 -0.310 0.000 1.143 31 T CB -0.121 68.474 68.868 -0.454 0.000 1.003 31 T HN 0.348 nan 8.240 nan 0.000 0.540 32 H N 5.655 124.661 119.070 -0.107 0.000 2.897 32 H HA 0.193 4.749 4.556 0.000 0.000 0.347 32 H C -1.650 173.713 175.328 0.058 0.000 1.068 32 H CA -1.043 55.015 56.048 0.018 0.000 1.426 32 H CB 0.651 30.442 29.762 0.048 0.000 1.410 32 H HN 0.416 nan 8.280 nan 0.000 0.597 33 P HA -0.229 nan 4.420 nan 0.000 0.214 33 P C 0.575 177.723 177.300 -0.253 0.000 1.172 33 P CA 1.985 64.832 63.100 -0.422 0.000 0.925 33 P CB 0.156 31.580 31.700 -0.459 0.000 0.793 34 D N -1.407 118.806 120.400 -0.312 0.000 2.389 34 D HA -0.085 4.555 4.640 0.000 0.000 0.250 34 D C 0.223 176.575 176.300 0.086 0.000 1.136 34 D CA 0.395 54.389 54.000 -0.010 0.000 0.945 34 D CB -0.792 40.083 40.800 0.125 0.000 0.890 34 D HN 0.193 nan 8.370 nan 0.000 0.525 35 F N 1.885 121.810 119.950 -0.042 0.000 2.438 35 F HA 0.135 4.662 4.527 0.000 0.000 0.356 35 F C 0.375 176.140 175.800 -0.059 0.000 1.099 35 F CA -0.304 57.677 58.000 -0.031 0.000 1.185 35 F CB 0.779 39.759 39.000 -0.033 0.000 1.115 35 F HN -0.308 nan 8.300 nan 0.000 0.526 36 E N 7.980 127.635 120.200 -0.909 0.000 2.182 36 E HA 0.228 4.579 4.350 0.000 0.000 0.258 36 E C -2.534 173.438 176.600 -1.046 0.000 0.879 36 E CA -2.149 53.828 56.400 -0.703 0.000 0.754 36 E CB 1.451 30.907 29.700 -0.407 0.000 1.162 36 E HN 0.358 nan 8.360 nan 0.000 0.419 37 P HA 0.045 nan 4.420 nan 0.000 0.268 37 P C -0.340 176.845 177.300 -0.191 0.000 1.282 37 P CA 0.122 63.045 63.100 -0.296 0.000 0.880 37 P CB 0.569 32.329 31.700 0.101 0.000 0.971 38 S N 1.835 117.417 115.700 -0.196 0.000 2.599 38 S HA 0.368 4.838 4.470 0.000 0.000 0.294 38 S C 1.075 175.640 174.600 -0.059 0.000 1.094 38 S CA -0.368 57.756 58.200 -0.127 0.000 0.931 38 S CB 1.716 64.808 63.200 -0.179 0.000 1.093 38 S HN 0.342 nan 8.310 nan 0.000 0.488 39 T N 0.994 115.525 114.554 -0.039 0.000 3.067 39 T HA 0.116 4.466 4.350 0.000 0.000 0.261 39 T C 1.279 175.970 174.700 -0.015 0.000 1.110 39 T CA 1.380 63.475 62.100 -0.009 0.000 1.113 39 T CB -0.274 68.593 68.868 -0.002 0.000 0.917 39 T HN 0.701 nan 8.240 nan 0.000 0.499 40 E N -0.104 120.071 120.200 -0.041 0.000 2.140 40 E HA -0.023 4.327 4.350 0.000 0.000 0.191 40 E C 2.220 178.800 176.600 -0.032 0.000 0.973 40 E CA 0.562 56.942 56.400 -0.033 0.000 0.829 40 E CB -0.014 29.655 29.700 -0.052 0.000 0.781 40 E HN 0.413 nan 8.360 nan 0.000 0.466 41 S N 1.238 116.888 115.700 -0.084 0.000 2.429 41 S HA -0.283 4.187 4.470 0.000 0.000 0.251 41 S C 1.761 176.347 174.600 -0.025 0.000 1.104 41 S CA 1.722 59.866 58.200 -0.092 0.000 1.130 41 S CB -0.555 62.584 63.200 -0.102 0.000 1.000 41 S HN 0.314 nan 8.310 nan 0.000 0.449 42 L N 1.655 122.860 121.223 -0.029 0.000 1.948 42 L HA -0.123 4.217 4.340 0.000 0.000 0.212 42 L C 2.404 179.191 176.870 -0.138 0.000 1.074 42 L CA 2.301 57.087 54.840 -0.090 0.000 0.753 42 L CB -1.341 40.664 42.059 -0.090 0.000 0.888 42 L HN 0.204 nan 8.230 nan 0.000 0.432 43 Q N -0.916 118.825 119.800 -0.098 0.000 2.118 43 Q HA -0.308 4.032 4.340 0.000 0.000 0.211 43 Q C 2.093 178.055 176.000 -0.064 0.000 0.998 43 Q CA 2.519 58.265 55.803 -0.096 0.000 0.872 43 Q CB -0.824 27.894 28.738 -0.033 0.000 0.925 43 Q HN 0.542 nan 8.270 nan 0.000 0.414 44 F N -0.277 119.586 119.950 -0.144 0.000 2.025 44 F HA -0.294 4.233 4.527 0.000 0.000 0.297 44 F C 1.925 177.627 175.800 -0.163 0.000 1.132 44 F CA 1.849 59.769 58.000 -0.132 0.000 1.191 44 F CB -0.907 38.015 39.000 -0.131 0.000 0.963 44 F HN 0.295 nan 8.300 nan 0.000 0.481 45 L N 0.503 121.720 121.223 -0.009 0.000 2.010 45 L HA -0.284 4.056 4.340 0.000 0.000 0.219 45 L C 2.220 178.908 176.870 -0.303 0.000 1.077 45 L CA 2.030 56.741 54.840 -0.216 0.000 0.773 45 L CB -1.055 40.804 42.059 -0.334 0.000 0.892 45 L HN 0.298 nan 8.230 nan 0.000 0.436 46 L N -0.891 120.147 121.223 -0.308 0.000 2.131 46 L HA -0.201 4.139 4.340 0.000 0.000 0.210 46 L C 2.009 178.771 176.870 -0.180 0.000 1.092 46 L CA 1.340 56.013 54.840 -0.279 0.000 0.759 46 L CB -0.640 41.216 42.059 -0.339 0.000 0.903 46 L HN 0.402 nan 8.230 nan 0.000 0.435 47 D N -1.671 118.605 120.400 -0.207 0.000 2.369 47 D HA -0.055 4.585 4.640 0.000 0.000 0.231 47 D C 2.223 178.393 176.300 -0.216 0.000 0.967 47 D CA 1.791 55.680 54.000 -0.185 0.000 0.905 47 D CB 0.000 40.685 40.800 -0.191 0.000 1.044 47 D HN 0.315 nan 8.370 nan 0.000 0.487 48 T N -1.717 112.614 114.554 -0.371 0.000 3.031 48 T HA 0.015 4.365 4.350 0.000 0.000 0.254 48 T C 1.423 176.087 174.700 -0.059 0.000 1.060 48 T CA -0.129 61.772 62.100 -0.331 0.000 1.135 48 T CB -0.619 67.806 68.868 -0.738 0.000 0.896 48 T HN -0.003 nan 8.240 nan 0.000 0.472 49 C N 3.677 122.962 119.300 -0.024 0.000 2.667 49 C HA 0.334 4.794 4.460 0.000 0.000 0.385 49 C C 0.514 175.656 174.990 0.253 0.000 1.299 49 C CA -0.759 58.412 59.018 0.254 0.000 1.554 49 C CB -1.752 26.064 27.740 0.126 0.000 2.275 49 C HN 0.416 nan 8.230 nan 0.000 0.588 50 K N 4.210 124.674 120.400 0.106 0.000 2.248 50 K HA 0.546 4.866 4.320 0.000 0.000 0.281 50 K C -0.832 175.883 176.600 0.192 0.000 1.054 50 K CA -0.237 56.072 56.287 0.037 0.000 0.903 50 K CB 1.175 33.514 32.500 -0.268 0.000 1.077 50 K HN 0.485 nan 8.250 nan 0.000 0.474 51 V N 5.180 125.248 119.914 0.256 0.000 2.483 51 V HA 0.241 4.361 4.120 0.000 0.000 0.297 51 V C -0.795 175.206 176.094 -0.155 0.000 1.027 51 V CA -1.044 61.306 62.300 0.085 0.000 0.855 51 V CB 1.566 33.410 31.823 0.035 0.000 0.995 51 V HN 0.575 nan 8.190 nan 0.000 0.424 52 L N 6.479 127.339 121.223 -0.605 0.000 2.312 52 L HA 0.697 5.037 4.340 0.000 0.000 0.281 52 L C -0.419 176.215 176.870 -0.392 0.000 1.070 52 L CA 0.224 54.538 54.840 -0.877 0.000 0.805 52 L CB 1.677 42.691 42.059 -1.742 0.000 1.174 52 L HN 0.435 nan 8.230 nan 0.000 0.434 53 V N 7.107 126.879 119.914 -0.237 0.000 2.325 53 V HA 0.358 4.479 4.120 0.000 0.000 0.280 53 V C 0.243 176.280 176.094 -0.095 0.000 1.016 53 V CA -0.458 61.755 62.300 -0.145 0.000 0.818 53 V CB 0.954 32.712 31.823 -0.107 0.000 1.019 53 V HN 0.622 nan 8.190 nan 0.000 0.434 54 I N 4.885 125.407 120.570 -0.080 0.000 2.452 54 I HA 0.559 4.729 4.170 0.000 0.000 0.287 54 I C 0.992 177.093 176.117 -0.027 0.000 1.079 54 I CA 0.635 61.920 61.300 -0.025 0.000 1.387 54 I CB 0.668 38.675 38.000 0.013 0.000 1.404 54 I HN 0.835 nan 8.210 nan 0.000 0.522 55 G N 4.756 113.547 108.800 -0.015 0.000 2.712 55 G HA2 0.189 4.149 3.960 0.000 0.000 0.686 55 G HA3 0.189 4.149 3.960 0.000 0.000 0.686 55 G C -0.725 174.149 174.900 -0.042 0.000 1.181 55 G CA -0.382 44.701 45.100 -0.028 0.000 0.762 55 G HN 1.100 nan 8.290 nan 0.000 0.641 56 A N 0.693 123.491 122.820 -0.036 0.000 3.307 56 A HA 0.948 5.268 4.320 0.000 0.000 0.289 56 A C 0.358 177.924 177.584 -0.030 0.000 1.138 56 A CA 0.691 52.703 52.037 -0.042 0.000 0.860 56 A CB 0.551 19.560 19.000 0.015 0.000 1.318 56 A HN 2.630 nan 8.150 nan 0.000 0.551 57 G N -0.560 108.172 108.800 -0.114 0.000 2.717 57 G HA2 0.635 4.595 3.960 0.000 0.000 0.300 57 G HA3 0.635 4.595 3.960 0.000 0.000 0.300 57 G C 0.559 175.363 174.900 -0.161 0.000 1.424 57 G CA 0.802 45.822 45.100 -0.132 0.000 1.033 57 G HN 2.002 nan 8.290 nan 0.000 0.577 58 G N 1.022 109.697 108.800 -0.208 0.000 2.815 58 G HA2 -0.356 3.604 3.960 0.000 0.000 0.326 58 G HA3 -0.356 3.604 3.960 0.000 0.000 0.326 58 G C 1.607 176.418 174.900 -0.148 0.000 1.191 58 G CA 1.094 46.103 45.100 -0.151 0.000 0.965 58 G HN 1.356 nan 8.290 nan 0.000 0.564 59 L N 1.550 122.702 121.223 -0.118 0.000 1.971 59 L HA -0.035 4.305 4.340 0.000 0.000 0.215 59 L C 3.411 180.203 176.870 -0.130 0.000 1.072 59 L CA 2.396 57.169 54.840 -0.111 0.000 0.758 59 L CB -1.216 40.785 42.059 -0.096 0.000 0.889 59 L HN 0.748 nan 8.230 nan 0.000 0.433 60 G N -0.409 108.308 108.800 -0.139 0.000 2.672 60 G HA2 -0.348 3.612 3.960 0.000 0.000 0.218 60 G HA3 -0.348 3.612 3.960 0.000 0.000 0.218 60 G C 1.609 176.383 174.900 -0.210 0.000 1.238 60 G CA 1.343 46.353 45.100 -0.150 0.000 0.791 60 G HN 0.483 nan 8.290 nan 0.000 0.606 61 C N 0.009 119.101 119.300 -0.346 0.000 2.359 61 C HA -0.089 4.371 4.460 0.000 0.000 0.277 61 C C 2.704 177.509 174.990 -0.308 0.000 1.192 61 C CA 1.328 59.998 59.018 -0.580 0.000 1.759 61 C CB -1.217 25.872 27.740 -1.086 0.000 2.038 61 C HN 0.640 nan 8.230 nan 0.000 0.448 62 E N 0.491 120.633 120.200 -0.096 0.000 2.070 62 E HA -0.187 4.163 4.350 0.000 0.000 0.197 62 E C 2.028 178.628 176.600 0.001 0.000 1.004 62 E CA 1.172 57.643 56.400 0.118 0.000 0.805 62 E CB -0.446 29.287 29.700 0.055 0.000 0.744 62 E HN 0.580 nan 8.360 nan 0.000 0.451 63 L N -0.221 120.958 121.223 -0.073 0.000 1.989 63 L HA -0.243 4.097 4.340 0.000 0.000 0.211 63 L C 2.472 179.291 176.870 -0.085 0.000 1.071 63 L CA 1.221 56.006 54.840 -0.093 0.000 0.749 63 L CB -0.440 41.551 42.059 -0.114 0.000 0.890 63 L HN 0.265 nan 8.230 nan 0.000 0.431 64 L N -0.261 120.908 121.223 -0.090 0.000 2.013 64 L HA -0.310 4.030 4.340 0.000 0.000 0.212 64 L C 2.723 179.581 176.870 -0.020 0.000 1.073 64 L CA 1.620 56.419 54.840 -0.068 0.000 0.753 64 L CB -0.553 41.447 42.059 -0.098 0.000 0.890 64 L HN 0.313 nan 8.230 nan 0.000 0.432 65 K N 0.223 120.630 120.400 0.012 0.000 1.978 65 K HA -0.227 4.093 4.320 0.000 0.000 0.214 65 K C 1.974 178.590 176.600 0.027 0.000 1.049 65 K CA 1.966 58.286 56.287 0.055 0.000 0.939 65 K CB -0.097 32.486 32.500 0.138 0.000 0.721 65 K HN 0.262 nan 8.250 nan 0.000 0.441 66 N N 1.168 119.866 118.700 -0.004 0.000 2.037 66 N HA -0.223 4.517 4.740 0.000 0.000 0.196 66 N C 2.020 177.531 175.510 0.002 0.000 1.034 66 N CA 1.627 54.663 53.050 -0.024 0.000 0.861 66 N CB -0.602 37.849 38.487 -0.061 0.000 1.039 66 N HN 0.227 nan 8.380 nan 0.000 0.427 67 L N 0.853 122.050 121.223 -0.044 0.000 2.012 67 L HA -0.187 4.153 4.340 0.000 0.000 0.210 67 L C 2.499 179.469 176.870 0.167 0.000 1.073 67 L CA 1.374 56.170 54.840 -0.074 0.000 0.748 67 L CB -0.565 41.352 42.059 -0.235 0.000 0.891 67 L HN 0.153 nan 8.230 nan 0.000 0.431 68 A N 0.022 122.931 122.820 0.148 0.000 1.908 68 A HA -0.179 4.141 4.320 0.000 0.000 0.218 68 A C 2.094 179.880 177.584 0.338 0.000 1.181 68 A CA 1.639 53.815 52.037 0.231 0.000 0.627 68 A CB -0.704 18.391 19.000 0.159 0.000 0.818 68 A HN 0.442 nan 8.150 nan 0.000 0.445 69 L N -0.531 120.837 121.223 0.240 0.000 2.591 69 L HA 0.070 4.410 4.340 0.000 0.000 0.228 69 L C 1.904 178.982 176.870 0.346 0.000 1.133 69 L CA 0.399 55.377 54.840 0.230 0.000 0.880 69 L CB 0.055 42.141 42.059 0.045 0.000 1.033 69 L HN 0.230 nan 8.230 nan 0.000 0.450 70 S N -0.062 115.851 115.700 0.354 0.000 2.501 70 S HA 0.197 4.667 4.470 0.000 0.000 0.220 70 S C 1.379 176.206 174.600 0.378 0.000 0.997 70 S CA 0.810 59.181 58.200 0.285 0.000 0.919 70 S CB 0.553 63.932 63.200 0.298 0.000 0.778 70 S HN 0.612 nan 8.310 nan 0.000 0.523 71 G N 0.803 109.818 108.800 0.359 0.000 2.148 71 G HA2 -0.120 3.840 3.960 0.000 0.000 0.120 71 G HA3 -0.120 3.840 3.960 0.000 0.000 0.120 71 G C -0.358 174.358 174.900 -0.308 0.000 1.034 71 G CA -0.831 44.089 45.100 -0.299 0.000 0.710 71 G HN 0.294 nan 8.290 nan 0.000 0.495 72 F N 0.413 120.362 119.950 -0.002 0.000 2.436 72 F HA 0.711 5.238 4.527 0.000 0.000 0.340 72 F C 1.416 177.235 175.800 0.032 0.000 1.113 72 F CA -1.000 57.011 58.000 0.018 0.000 1.022 72 F CB 1.615 40.658 39.000 0.071 0.000 1.128 72 F HN -0.099 nan 8.300 nan 0.000 0.466 73 R N 0.131 120.721 120.500 0.149 0.000 2.167 73 R HA 0.128 4.469 4.340 0.000 0.000 0.195 73 R C -0.125 176.258 176.300 0.139 0.000 1.027 73 R CA 0.159 56.332 56.100 0.121 0.000 1.114 73 R CB 0.183 30.509 30.300 0.043 0.000 1.075 73 R HN 0.470 nan 8.270 nan 0.000 0.538 74 Q N 1.919 121.807 119.800 0.146 0.000 2.452 74 Q HA 0.315 4.655 4.340 0.000 0.000 0.230 74 Q C -0.364 175.794 176.000 0.264 0.000 1.180 74 Q CA 0.516 56.426 55.803 0.178 0.000 0.914 74 Q CB 0.221 29.042 28.738 0.138 0.000 1.408 74 Q HN 0.293 nan 8.270 nan 0.000 0.520 75 I N 1.789 122.502 120.570 0.238 0.000 2.545 75 I HA 0.350 4.520 4.170 0.000 0.000 0.292 75 I C 0.028 176.286 176.117 0.234 0.000 1.040 75 I CA -0.721 60.716 61.300 0.228 0.000 1.068 75 I CB 1.852 39.922 38.000 0.117 0.000 1.251 75 I HN 0.377 nan 8.210 nan 0.000 0.424 76 H N 4.555 123.671 119.070 0.076 0.000 2.524 76 H HA 0.614 5.170 4.556 0.000 0.000 0.353 76 H C -1.120 174.233 175.328 0.041 0.000 1.136 76 H CA -0.883 55.245 56.048 0.134 0.000 1.193 76 H CB 2.988 32.934 29.762 0.307 0.000 1.558 76 H HN 0.211 nan 8.280 nan 0.000 0.515 77 V N 5.079 125.100 119.914 0.179 0.000 2.487 77 V HA 0.318 4.438 4.120 0.000 0.000 0.298 77 V C 0.140 176.341 176.094 0.177 0.000 1.028 77 V CA -0.585 61.775 62.300 0.100 0.000 0.860 77 V CB 1.803 33.645 31.823 0.032 0.000 0.991 77 V HN 0.565 nan 8.190 nan 0.000 0.427 78 I N 3.709 124.354 120.570 0.125 0.000 2.525 78 I HA 0.642 4.812 4.170 0.000 0.000 0.301 78 I C -0.741 175.431 176.117 0.092 0.000 0.992 78 I CA -0.212 61.185 61.300 0.163 0.000 1.162 78 I CB 1.913 39.987 38.000 0.123 0.000 1.332 78 I HN 0.621 nan 8.210 nan 0.000 0.458 79 D N 5.443 125.897 120.400 0.090 0.000 2.205 79 D HA 0.111 4.751 4.640 0.000 0.000 0.168 79 D C 0.068 176.333 176.300 -0.058 0.000 1.167 79 D CA -0.391 53.611 54.000 0.002 0.000 0.834 79 D CB 1.185 41.962 40.800 -0.038 0.000 2.599 79 D HN 0.579 nan 8.370 nan 0.000 0.497 80 M N 0.155 119.735 119.600 -0.034 0.000 2.492 80 M HA 0.203 4.683 4.480 0.000 0.000 0.262 80 M C 0.414 176.624 176.300 -0.150 0.000 1.090 80 M CA 0.747 56.032 55.300 -0.025 0.000 1.110 80 M CB 0.131 32.740 32.600 0.015 0.000 1.407 80 M HN -0.027 nan 8.290 nan 0.000 0.470 81 D N 1.279 121.564 120.400 -0.191 0.000 2.388 81 D HA 0.275 4.915 4.640 0.000 0.000 0.254 81 D C -0.536 175.552 176.300 -0.354 0.000 1.111 81 D CA 0.081 53.955 54.000 -0.209 0.000 0.993 81 D CB 1.633 42.359 40.800 -0.124 0.000 1.118 81 D HN 0.004 nan 8.370 nan 0.000 0.502 82 T N 0.503 114.898 114.554 -0.265 0.000 2.807 82 T HA 0.435 4.785 4.350 0.000 0.000 0.279 82 T C 0.368 174.926 174.700 -0.238 0.000 0.993 82 T CA -0.704 61.224 62.100 -0.286 0.000 0.970 82 T CB 0.260 69.025 68.868 -0.170 0.000 0.950 82 T HN 0.199 nan 8.240 nan 0.000 0.441 83 I N 4.675 125.042 120.570 -0.339 0.000 2.919 83 I HA 0.032 4.202 4.170 0.000 0.000 0.303 83 I C 0.630 176.661 176.117 -0.143 0.000 1.221 83 I CA 0.640 61.755 61.300 -0.309 0.000 1.444 83 I CB 0.217 37.915 38.000 -0.503 0.000 1.331 83 I HN 0.604 nan 8.210 nan 0.000 0.572 84 D N 5.438 125.801 120.400 -0.061 0.000 2.780 84 D HA 0.105 4.745 4.640 0.000 0.000 0.242 84 D C 0.597 176.900 176.300 0.005 0.000 1.135 84 D CA -0.620 53.360 54.000 -0.032 0.000 0.859 84 D CB 2.371 43.152 40.800 -0.031 0.000 1.530 84 D HN 0.322 nan 8.370 nan 0.000 0.493 85 V N 3.991 123.907 119.914 0.004 0.000 2.277 85 V HA -0.302 3.818 4.120 0.000 0.000 0.255 85 V C 1.903 178.014 176.094 0.028 0.000 1.074 85 V CA 3.454 65.766 62.300 0.020 0.000 1.058 85 V CB -0.613 31.217 31.823 0.013 0.000 0.656 85 V HN 0.711 nan 8.190 nan 0.000 0.449 86 S N -0.487 115.223 115.700 0.016 0.000 2.805 86 S HA -0.024 4.446 4.470 0.000 0.000 0.230 86 S C 1.152 175.761 174.600 0.015 0.000 0.968 86 S CA 0.991 59.198 58.200 0.011 0.000 0.976 86 S CB -0.719 62.480 63.200 -0.001 0.000 0.787 86 S HN 0.796 nan 8.310 nan 0.000 0.533 87 N N 0.990 119.714 118.700 0.040 0.000 2.332 87 N HA 0.262 5.003 4.740 0.000 0.000 0.190 87 N C 1.142 176.676 175.510 0.040 0.000 1.117 87 N CA 0.223 53.301 53.050 0.048 0.000 0.883 87 N CB -0.307 38.260 38.487 0.134 0.000 1.089 87 N HN 0.380 nan 8.380 nan 0.000 0.480 88 L N 2.082 123.343 121.223 0.064 0.000 2.651 88 L HA -0.057 4.283 4.340 0.000 0.000 0.236 88 L C 1.386 178.278 176.870 0.036 0.000 1.173 88 L CA 0.662 55.540 54.840 0.062 0.000 0.843 88 L CB -0.541 41.562 42.059 0.075 0.000 0.964 88 L HN 0.274 nan 8.230 nan 0.000 0.454 89 N N 0.772 119.482 118.700 0.017 0.000 2.236 89 N HA -0.035 4.705 4.740 0.000 0.000 0.196 89 N C 1.217 176.728 175.510 0.001 0.000 1.114 89 N CA 0.141 53.198 53.050 0.011 0.000 0.859 89 N CB 0.441 38.930 38.487 0.003 0.000 0.982 89 N HN 0.550 nan 8.380 nan 0.000 0.493 90 R N -1.512 118.982 120.500 -0.010 0.000 2.366 90 R HA 0.117 4.457 4.340 0.000 0.000 0.223 90 R C -0.398 175.875 176.300 -0.044 0.000 0.861 90 R CA -0.276 55.817 56.100 -0.013 0.000 1.226 90 R CB -0.352 29.924 30.300 -0.041 0.000 1.693 90 R HN -0.039 nan 8.270 nan 0.000 0.451 91 Q N 2.069 121.774 119.800 -0.158 0.000 2.901 91 Q HA 0.195 4.535 4.340 0.000 0.000 0.265 91 Q C -0.060 175.606 176.000 -0.557 0.000 1.263 91 Q CA -0.542 54.977 55.803 -0.473 0.000 1.088 91 Q CB 0.363 28.775 28.738 -0.544 0.000 1.339 91 Q HN 0.378 nan 8.270 nan 0.000 0.546 92 F N -1.244 118.518 119.950 -0.312 0.000 2.271 92 F HA -0.202 4.325 4.527 0.000 0.000 0.302 92 F C 0.953 176.610 175.800 -0.239 0.000 1.063 92 F CA 0.919 58.788 58.000 -0.218 0.000 1.362 92 F CB -0.354 38.542 39.000 -0.174 0.000 1.060 92 F HN 0.274 nan 8.300 nan 0.000 0.521 93 L N -0.575 120.060 121.223 -0.981 0.000 2.622 93 L HA 0.089 4.429 4.340 0.000 0.000 0.233 93 L C -0.011 176.936 176.870 0.127 0.000 1.156 93 L CA 0.180 54.621 54.840 -0.665 0.000 0.866 93 L CB -0.660 40.843 42.059 -0.927 0.000 0.980 93 L HN 0.119 nan 8.230 nan 0.000 0.448 94 F N -0.447 119.492 119.950 -0.018 0.000 2.508 94 F HA 0.544 5.071 4.527 0.000 0.000 0.325 94 F C 0.536 176.375 175.800 0.066 0.000 1.090 94 F CA -1.388 56.629 58.000 0.029 0.000 0.945 94 F CB 1.402 40.379 39.000 -0.040 0.000 1.156 94 F HN -0.209 nan 8.300 nan 0.000 0.463 95 R N 1.993 122.650 120.500 0.261 0.000 2.873 95 R HA 0.364 4.704 4.340 0.000 0.000 0.264 95 R C -2.024 174.334 176.300 0.097 0.000 1.026 95 R CA -2.423 53.768 56.100 0.153 0.000 1.002 95 R CB 1.114 31.482 30.300 0.113 0.000 1.174 95 R HN 0.219 nan 8.270 nan 0.000 0.488 96 P HA -0.214 nan 4.420 nan 0.000 0.216 96 P C 0.840 178.151 177.300 0.017 0.000 1.150 96 P CA 1.815 64.938 63.100 0.037 0.000 0.843 96 P CB 0.226 31.944 31.700 0.030 0.000 0.787 97 K N -0.706 119.705 120.400 0.017 0.000 2.147 97 K HA -0.158 4.162 4.320 0.000 0.000 0.205 97 K C 1.214 177.807 176.600 -0.011 0.000 1.049 97 K CA 1.755 58.044 56.287 0.002 0.000 0.936 97 K CB -0.837 31.665 32.500 0.003 0.000 0.722 97 K HN 0.058 nan 8.250 nan 0.000 0.446 98 D N 1.184 121.580 120.400 -0.007 0.000 2.348 98 D HA 0.058 4.698 4.640 0.000 0.000 0.216 98 D C 0.755 176.995 176.300 -0.098 0.000 0.970 98 D CA 0.330 54.301 54.000 -0.049 0.000 0.889 98 D CB -0.138 40.639 40.800 -0.038 0.000 0.912 98 D HN 0.278 nan 8.370 nan 0.000 0.524 99 I N 0.432 120.963 120.570 -0.064 0.000 2.948 99 I HA -0.079 4.091 4.170 0.000 0.000 0.303 99 I C 1.828 177.893 176.117 -0.086 0.000 1.224 99 I CA 1.090 62.343 61.300 -0.078 0.000 1.442 99 I CB 0.393 38.370 38.000 -0.039 0.000 1.328 99 I HN 0.197 nan 8.210 nan 0.000 0.578 100 G N 4.770 113.507 108.800 -0.104 0.000 2.225 100 G HA2 -0.253 3.707 3.960 0.000 0.000 0.254 100 G HA3 -0.253 3.707 3.960 0.000 0.000 0.254 100 G C 0.463 175.305 174.900 -0.097 0.000 0.988 100 G CA -0.189 44.861 45.100 -0.084 0.000 0.625 100 G HN 0.618 nan 8.290 nan 0.000 0.527 101 R N 0.749 121.163 120.500 -0.144 0.000 2.541 101 R HA 0.484 4.824 4.340 0.000 0.000 0.263 101 R C -2.687 173.470 176.300 -0.239 0.000 1.112 101 R CA -1.811 54.202 56.100 -0.146 0.000 1.170 101 R CB 0.306 30.516 30.300 -0.150 0.000 1.167 101 R HN 0.059 nan 8.270 nan 0.000 0.582 102 P HA 0.071 nan 4.420 nan 0.000 0.276 102 P C -0.272 176.768 177.300 -0.432 0.000 1.264 102 P CA 0.102 62.948 63.100 -0.422 0.000 0.769 102 P CB 0.703 32.256 31.700 -0.245 0.000 0.840 103 K N 3.211 123.309 120.400 -0.503 0.000 2.015 103 K HA -0.253 4.067 4.320 0.000 0.000 0.216 103 K C 1.944 178.431 176.600 -0.188 0.000 1.052 103 K CA 2.153 58.162 56.287 -0.463 0.000 0.937 103 K CB -0.674 31.698 32.500 -0.213 0.000 0.719 103 K HN 0.442 nan 8.250 nan 0.000 0.446 104 A N 1.426 124.143 122.820 -0.171 0.000 1.917 104 A HA -0.293 4.027 4.320 0.000 0.000 0.219 104 A C 2.088 179.649 177.584 -0.040 0.000 1.182 104 A CA 2.017 54.017 52.037 -0.062 0.000 0.633 104 A CB -0.586 18.390 19.000 -0.040 0.000 0.819 104 A HN 0.464 nan 8.150 nan 0.000 0.448 105 E N -0.435 119.720 120.200 -0.074 0.000 2.007 105 E HA -0.152 4.198 4.350 0.000 0.000 0.194 105 E C 1.995 178.589 176.600 -0.009 0.000 0.999 105 E CA 1.736 58.118 56.400 -0.030 0.000 0.811 105 E CB -0.204 29.485 29.700 -0.019 0.000 0.762 105 E HN 0.319 nan 8.360 nan 0.000 0.450 106 V N 1.595 121.481 119.914 -0.047 0.000 2.282 106 V HA -0.343 3.777 4.120 0.000 0.000 0.249 106 V C 2.473 178.670 176.094 0.172 0.000 1.057 106 V CA 1.966 64.284 62.300 0.030 0.000 1.032 106 V CB -1.171 30.592 31.823 -0.099 0.000 0.645 106 V HN 0.474 nan 8.190 nan 0.000 0.447 107 A N 0.367 123.316 122.820 0.215 0.000 1.869 107 A HA -0.285 4.035 4.320 0.000 0.000 0.218 107 A C 2.467 180.103 177.584 0.088 0.000 1.203 107 A CA 3.100 55.245 52.037 0.180 0.000 0.638 107 A CB -1.172 17.898 19.000 0.118 0.000 0.831 107 A HN 0.666 nan 8.150 nan 0.000 0.450 108 A N -0.799 122.056 122.820 0.058 0.000 1.877 108 A HA -0.192 4.128 4.320 0.000 0.000 0.216 108 A C 2.050 179.688 177.584 0.089 0.000 1.186 108 A CA 1.968 54.031 52.037 0.045 0.000 0.620 108 A CB -0.688 18.311 19.000 -0.001 0.000 0.822 108 A HN 0.734 nan 8.150 nan 0.000 0.443 109 E N -0.832 119.426 120.200 0.095 0.000 2.048 109 E HA -0.271 4.079 4.350 0.000 0.000 0.202 109 E C 1.891 178.601 176.600 0.185 0.000 1.021 109 E CA 1.782 58.246 56.400 0.106 0.000 0.825 109 E CB -0.387 29.364 29.700 0.085 0.000 0.756 109 E HN 0.661 nan 8.360 nan 0.000 0.454 110 F N 0.788 120.765 119.950 0.044 0.000 2.046 110 F HA -0.245 4.282 4.527 0.000 0.000 0.297 110 F C 2.436 178.269 175.800 0.054 0.000 1.123 110 F CA 1.262 59.294 58.000 0.054 0.000 1.199 110 F CB -0.206 38.836 39.000 0.069 0.000 0.972 110 F HN 0.098 nan 8.300 nan 0.000 0.474 111 L N 0.884 122.335 121.223 0.381 0.000 2.043 111 L HA -0.324 4.016 4.340 0.000 0.000 0.212 111 L C 1.981 178.977 176.870 0.211 0.000 1.075 111 L CA 1.527 56.504 54.840 0.227 0.000 0.752 111 L CB -0.652 41.441 42.059 0.057 0.000 0.891 111 L HN 0.240 nan 8.230 nan 0.000 0.432 112 N N -0.505 118.292 118.700 0.162 0.000 2.573 112 N HA -0.188 4.552 4.740 0.000 0.000 0.187 112 N C 1.143 176.730 175.510 0.128 0.000 1.107 112 N CA 1.081 54.206 53.050 0.124 0.000 0.918 112 N CB -0.098 38.439 38.487 0.084 0.000 0.966 112 N HN 0.526 nan 8.380 nan 0.000 0.448 113 D N 0.502 120.996 120.400 0.157 0.000 2.566 113 D HA -0.017 4.623 4.640 0.000 0.000 0.253 113 D C 1.863 178.240 176.300 0.128 0.000 0.992 113 D CA 0.208 54.273 54.000 0.108 0.000 0.940 113 D CB 0.391 41.218 40.800 0.046 0.000 1.095 113 D HN -0.060 nan 8.370 nan 0.000 0.480 114 R N 0.518 121.149 120.500 0.218 0.000 2.120 114 R HA -0.016 4.324 4.340 0.000 0.000 0.234 114 R C 0.320 176.732 176.300 0.187 0.000 1.123 114 R CA 0.873 57.113 56.100 0.232 0.000 0.975 114 R CB -0.235 30.355 30.300 0.484 0.000 0.866 114 R HN 0.011 nan 8.270 nan 0.000 0.446 115 V N 2.406 122.434 119.914 0.190 0.000 2.259 115 V HA 0.227 4.347 4.120 0.000 0.000 0.267 115 V C -1.733 174.469 176.094 0.181 0.000 1.051 115 V CA -1.720 60.684 62.300 0.173 0.000 0.830 115 V CB 1.114 33.038 31.823 0.167 0.000 1.080 115 V HN 0.199 nan 8.190 nan 0.000 0.467 116 P HA -0.303 nan 4.420 nan 0.000 0.245 116 P C 0.786 178.195 177.300 0.182 0.000 0.756 116 P CA 1.920 65.151 63.100 0.219 0.000 1.075 116 P CB 0.013 31.924 31.700 0.351 0.000 0.774 117 N N -2.136 116.683 118.700 0.197 0.000 2.320 117 N HA 0.077 4.817 4.740 0.000 0.000 0.237 117 N C 0.114 175.713 175.510 0.149 0.000 1.129 117 N CA -0.116 53.031 53.050 0.162 0.000 0.854 117 N CB -0.475 38.108 38.487 0.160 0.000 1.083 117 N HN 0.197 nan 8.380 nan 0.000 0.504 118 C N 1.003 120.398 119.300 0.159 0.000 2.700 118 C HA 0.129 4.589 4.460 0.000 0.000 0.397 118 C C 1.145 176.196 174.990 0.102 0.000 1.301 118 C CA 0.141 59.246 59.018 0.145 0.000 2.219 118 C CB -0.273 27.558 27.740 0.152 0.000 2.699 118 C HN 0.472 nan 8.230 nan 0.000 0.669 119 N N 2.023 120.774 118.700 0.086 0.000 2.703 119 N HA 0.281 5.021 4.740 0.000 0.000 0.283 119 N C -1.131 174.393 175.510 0.022 0.000 1.851 119 N CA -0.275 52.806 53.050 0.051 0.000 0.826 119 N CB 0.592 39.108 38.487 0.049 0.000 1.239 119 N HN 0.418 nan 8.380 nan 0.000 0.495 120 V N 1.205 121.129 119.914 0.017 0.000 2.555 120 V HA 0.253 4.373 4.120 0.000 0.000 0.286 120 V C 0.170 176.198 176.094 -0.111 0.000 1.044 120 V CA -0.384 61.902 62.300 -0.023 0.000 1.026 120 V CB 1.271 33.098 31.823 0.007 0.000 0.981 120 V HN 0.125 nan 8.190 nan 0.000 0.480 121 V N 8.389 128.153 119.914 -0.250 0.000 2.357 121 V HA 0.372 4.492 4.120 0.000 0.000 0.284 121 V C -1.943 173.930 176.094 -0.368 0.000 1.018 121 V CA -1.552 60.516 62.300 -0.386 0.000 0.841 121 V CB 1.646 33.024 31.823 -0.741 0.000 0.991 121 V HN 0.753 nan 8.190 nan 0.000 0.437 122 P HA 0.348 nan 4.420 nan 0.000 0.276 122 P C -0.964 176.098 177.300 -0.396 0.000 1.252 122 P CA -0.295 62.685 63.100 -0.201 0.000 0.802 122 P CB 1.049 32.700 31.700 -0.082 0.000 1.035 123 H N 0.769 119.920 119.070 0.135 0.000 3.059 123 H HA 0.131 4.687 4.556 0.000 0.000 0.302 123 H C -0.909 174.571 175.328 0.253 0.000 1.264 123 H CA -0.437 55.740 56.048 0.215 0.000 1.615 123 H CB 0.004 29.918 29.762 0.253 0.000 1.795 123 H HN 0.297 nan 8.280 nan 0.000 0.556 124 F N 4.372 124.401 119.950 0.131 0.000 2.659 124 F HA 0.136 4.663 4.527 0.000 0.000 0.356 124 F C -0.432 175.410 175.800 0.069 0.000 1.273 124 F CA -0.182 57.857 58.000 0.066 0.000 1.243 124 F CB -0.631 38.376 39.000 0.012 0.000 1.683 124 F HN 0.370 nan 8.300 nan 0.000 0.679 125 N N 2.442 121.392 118.700 0.418 0.000 2.774 125 N HA 0.313 5.053 4.740 0.000 0.000 0.264 125 N C -1.413 174.217 175.510 0.200 0.000 1.415 125 N CA -0.883 52.327 53.050 0.267 0.000 0.815 125 N CB 1.958 40.579 38.487 0.223 0.000 1.514 125 N HN 0.253 nan 8.380 nan 0.000 0.523 126 K N 0.473 120.929 120.400 0.093 0.000 2.307 126 K HA 0.397 4.717 4.320 0.000 0.000 0.263 126 K C 1.521 178.138 176.600 0.028 0.000 0.973 126 K CA -0.654 55.649 56.287 0.027 0.000 0.846 126 K CB 1.454 33.922 32.500 -0.053 0.000 1.100 126 K HN 0.651 nan 8.250 nan 0.000 0.438 127 I N -0.650 119.966 120.570 0.076 0.000 2.210 127 I HA -0.473 3.697 4.170 0.000 0.000 0.249 127 I C 0.936 177.000 176.117 -0.088 0.000 1.047 127 I CA 1.535 62.934 61.300 0.165 0.000 1.323 127 I CB -0.700 37.361 38.000 0.102 0.000 1.017 127 I HN 0.617 nan 8.210 nan 0.000 0.427 128 Q N 1.135 120.537 119.800 -0.664 0.000 2.547 128 Q HA -0.079 4.261 4.340 0.000 0.000 0.217 128 Q C 1.161 177.023 176.000 -0.230 0.000 0.978 128 Q CA 1.006 56.251 55.803 -0.929 0.000 0.962 128 Q CB -0.381 27.772 28.738 -0.974 0.000 0.990 128 Q HN 0.631 nan 8.270 nan 0.000 0.538 129 D N -0.882 119.438 120.400 -0.134 0.000 2.301 129 D HA 0.020 4.660 4.640 0.000 0.000 0.206 129 D C -0.222 175.879 176.300 -0.332 0.000 0.979 129 D CA 0.443 54.262 54.000 -0.301 0.000 0.874 129 D CB 0.300 40.765 40.800 -0.559 0.000 0.968 129 D HN 0.134 nan 8.370 nan 0.000 0.510 130 F N 1.166 121.151 119.950 0.058 0.000 2.380 130 F HA 0.320 4.847 4.527 0.000 0.000 0.321 130 F C 0.842 176.913 175.800 0.451 0.000 1.103 130 F CA -1.160 56.904 58.000 0.107 0.000 1.067 130 F CB 0.476 39.375 39.000 -0.168 0.000 1.265 130 F HN -0.218 nan 8.300 nan 0.000 0.517 131 N N -1.282 117.752 118.700 0.556 0.000 2.312 131 N HA 0.226 4.966 4.740 0.000 0.000 0.296 131 N C 0.156 175.948 175.510 0.469 0.000 1.193 131 N CA -0.715 52.610 53.050 0.459 0.000 0.773 131 N CB 0.750 39.389 38.487 0.254 0.000 1.435 131 N HN 0.588 nan 8.380 nan 0.000 0.484 132 D N -0.008 120.587 120.400 0.326 0.000 3.000 132 D HA -0.396 4.244 4.640 0.000 0.000 0.196 132 D C 0.970 177.415 176.300 0.242 0.000 1.110 132 D CA 2.838 56.986 54.000 0.247 0.000 0.873 132 D CB -1.467 39.394 40.800 0.102 0.000 0.948 132 D HN 0.642 nan 8.370 nan 0.000 0.496 133 T N 0.478 115.146 114.554 0.189 0.000 2.624 133 T HA -0.273 4.077 4.350 0.000 0.000 0.266 133 T C 1.541 176.329 174.700 0.147 0.000 1.050 133 T CA 2.040 64.224 62.100 0.139 0.000 1.163 133 T CB -0.765 68.184 68.868 0.136 0.000 0.861 133 T HN 0.277 nan 8.240 nan 0.000 0.443 134 F N 0.875 120.852 119.950 0.045 0.000 2.075 134 F HA -0.075 4.452 4.527 0.000 0.000 0.297 134 F C 2.031 177.707 175.800 -0.207 0.000 1.113 134 F CA 0.959 58.890 58.000 -0.115 0.000 1.218 134 F CB -0.756 38.159 39.000 -0.140 0.000 0.984 134 F HN 0.228 nan 8.300 nan 0.000 0.472 135 Y N 0.132 120.402 120.300 -0.051 0.000 2.352 135 Y HA -0.059 4.491 4.550 0.000 0.000 0.292 135 Y C 2.478 178.301 175.900 -0.129 0.000 1.136 135 Y CA 1.139 59.174 58.100 -0.108 0.000 1.227 135 Y CB -0.639 37.851 38.460 0.051 0.000 0.991 135 Y HN -0.040 nan 8.280 nan 0.000 0.545 136 R N 0.341 120.849 120.500 0.013 0.000 2.170 136 R HA -0.227 4.113 4.340 0.000 0.000 0.242 136 R C 2.040 178.218 176.300 -0.202 0.000 1.145 136 R CA 1.468 57.537 56.100 -0.052 0.000 0.984 136 R CB -0.330 29.947 30.300 -0.038 0.000 0.869 136 R HN 0.555 nan 8.270 nan 0.000 0.455 137 Q N -0.117 119.410 119.800 -0.455 0.000 2.077 137 Q HA -0.159 4.181 4.340 0.000 0.000 0.206 137 Q C 0.155 175.676 176.000 -0.800 0.000 0.989 137 Q CA 1.230 56.576 55.803 -0.761 0.000 0.853 137 Q CB -0.220 27.711 28.738 -1.346 0.000 0.907 137 Q HN 0.214 nan 8.270 nan 0.000 0.418 138 F N -0.544 119.169 119.950 -0.394 0.000 2.410 138 F HA 0.062 4.589 4.527 0.000 0.000 0.334 138 F C 1.589 177.249 175.800 -0.234 0.000 1.134 138 F CA -0.456 57.314 58.000 -0.382 0.000 1.227 138 F CB 0.422 39.234 39.000 -0.312 0.000 1.194 138 F HN 0.024 nan 8.300 nan 0.000 0.571 139 H N 1.367 120.521 119.070 0.141 0.000 2.431 139 H HA 0.360 4.916 4.556 0.000 0.000 0.295 139 H C 0.305 175.679 175.328 0.076 0.000 1.038 139 H CA 0.895 56.992 56.048 0.082 0.000 1.360 139 H CB 0.335 30.146 29.762 0.081 0.000 1.433 139 H HN 0.322 nan 8.280 nan 0.000 0.536 140 I N 0.492 121.180 120.570 0.197 0.000 2.865 140 I HA 0.356 4.526 4.170 0.000 0.000 0.302 140 I C -0.851 175.257 176.117 -0.014 0.000 1.140 140 I CA -0.760 60.589 61.300 0.082 0.000 1.021 140 I CB 3.378 41.423 38.000 0.075 0.000 1.233 140 I HN -0.191 nan 8.210 nan 0.000 0.427 141 I N 4.264 124.802 120.570 -0.054 0.000 2.569 141 I HA 0.440 4.610 4.170 0.000 0.000 0.290 141 I C -1.030 175.026 176.117 -0.102 0.000 1.088 141 I CA -0.950 60.279 61.300 -0.119 0.000 1.047 141 I CB 2.353 40.298 38.000 -0.090 0.000 1.237 141 I HN 0.189 nan 8.210 nan 0.000 0.421 142 V N 2.435 122.274 119.914 -0.125 0.000 2.540 142 V HA 0.553 4.673 4.120 0.000 0.000 0.302 142 V C -0.177 175.862 176.094 -0.091 0.000 1.035 142 V CA -0.647 61.588 62.300 -0.108 0.000 0.873 142 V CB 1.328 33.074 31.823 -0.128 0.000 0.992 142 V HN 0.792 nan 8.190 nan 0.000 0.428 143 C N 3.040 122.297 119.300 -0.072 0.000 2.358 143 C HA 0.938 5.398 4.460 0.000 0.000 0.354 143 C C 1.107 176.062 174.990 -0.059 0.000 1.183 143 C CA 0.424 59.410 59.018 -0.052 0.000 2.150 143 C CB 1.291 29.014 27.740 -0.028 0.000 2.361 143 C HN 1.279 nan 8.230 nan 0.000 0.535 144 G N 1.855 110.625 108.800 -0.050 0.000 5.338 144 G HA2 0.342 4.302 3.960 0.000 0.000 0.198 144 G HA3 0.342 4.302 3.960 0.000 0.000 0.198 144 G C -0.605 174.268 174.900 -0.044 0.000 0.708 144 G CA -0.198 44.868 45.100 -0.057 0.000 0.626 144 G HN 0.574 nan 8.290 nan 0.000 0.419 145 L N 0.855 122.060 121.223 -0.030 0.000 2.418 145 L HA 0.377 4.717 4.340 0.000 0.000 0.265 145 L C 0.903 177.754 176.870 -0.031 0.000 1.143 145 L CA -0.738 54.086 54.840 -0.027 0.000 0.809 145 L CB 1.335 43.385 42.059 -0.015 0.000 1.124 145 L HN 0.336 nan 8.230 nan 0.000 0.456 146 D N -0.514 119.863 120.400 -0.038 0.000 2.424 146 D HA 0.040 4.680 4.640 0.000 0.000 0.220 146 D C 0.080 176.349 176.300 -0.052 0.000 1.150 146 D CA -0.082 53.894 54.000 -0.041 0.000 0.831 146 D CB 0.419 41.194 40.800 -0.042 0.000 0.981 146 D HN 0.430 nan 8.370 nan 0.000 0.500 147 S N -1.266 114.398 115.700 -0.060 0.000 2.704 147 S HA 0.548 5.018 4.470 0.000 0.000 0.296 147 S C 0.862 175.392 174.600 -0.118 0.000 1.138 147 S CA -0.857 57.293 58.200 -0.083 0.000 0.875 147 S CB 1.245 64.403 63.200 -0.070 0.000 1.151 147 S HN -0.036 nan 8.310 nan 0.000 0.500 148 I N 0.571 121.041 120.570 -0.167 0.000 2.512 148 I HA 0.029 4.199 4.170 0.000 0.000 0.247 148 I C 2.036 178.085 176.117 -0.113 0.000 1.094 148 I CA 0.307 61.460 61.300 -0.244 0.000 1.427 148 I CB -0.498 37.272 38.000 -0.383 0.000 1.149 148 I HN 0.640 nan 8.210 nan 0.000 0.438 149 I N 1.851 122.376 120.570 -0.075 0.000 2.093 149 I HA -0.405 3.765 4.170 0.000 0.000 0.239 149 I C 2.953 179.102 176.117 0.053 0.000 1.026 149 I CA 1.907 63.203 61.300 -0.006 0.000 1.295 149 I CB -0.974 37.020 38.000 -0.011 0.000 1.007 149 I HN 0.220 nan 8.210 nan 0.000 0.401 150 A N 0.921 123.753 122.820 0.020 0.000 1.881 150 A HA -0.296 4.024 4.320 0.000 0.000 0.219 150 A C 2.442 180.096 177.584 0.115 0.000 1.215 150 A CA 2.455 54.522 52.037 0.049 0.000 0.648 150 A CB -0.900 18.094 19.000 -0.009 0.000 0.832 150 A HN 0.400 nan 8.150 nan 0.000 0.455 151 R N -0.989 119.541 120.500 0.051 0.000 2.097 151 R HA -0.177 4.163 4.340 0.000 0.000 0.236 151 R C 2.543 178.890 176.300 0.078 0.000 1.135 151 R CA 1.856 57.990 56.100 0.057 0.000 0.934 151 R CB -0.438 29.881 30.300 0.031 0.000 0.846 151 R HN 0.578 nan 8.270 nan 0.000 0.431 152 R N -0.500 120.038 120.500 0.063 0.000 2.113 152 R HA -0.238 4.102 4.340 0.000 0.000 0.244 152 R C 2.086 178.432 176.300 0.076 0.000 1.142 152 R CA 2.021 58.154 56.100 0.055 0.000 0.953 152 R CB -0.601 29.723 30.300 0.039 0.000 0.860 152 R HN 0.389 nan 8.270 nan 0.000 0.438 153 W N 1.413 122.685 121.300 -0.046 0.000 2.332 153 W HA -0.211 4.449 4.660 0.000 0.000 0.321 153 W C 2.062 178.533 176.519 -0.080 0.000 1.219 153 W CA 1.185 58.501 57.345 -0.049 0.000 1.277 153 W CB -0.332 29.108 29.460 -0.032 0.000 1.161 153 W HN -0.024 nan 8.180 nan 0.000 0.476 154 I N 1.865 122.680 120.570 0.409 0.000 2.423 154 I HA -0.306 3.864 4.170 0.000 0.000 0.254 154 I C 1.878 177.919 176.117 -0.126 0.000 1.151 154 I CA 2.231 63.619 61.300 0.148 0.000 1.421 154 I CB -1.367 36.742 38.000 0.182 0.000 1.079 154 I HN 0.242 nan 8.210 nan 0.000 0.431 155 N N 0.787 119.444 118.700 -0.073 0.000 2.120 155 N HA -0.119 4.621 4.740 0.000 0.000 0.188 155 N C 1.932 177.338 175.510 -0.173 0.000 1.024 155 N CA 1.860 54.855 53.050 -0.092 0.000 0.852 155 N CB -0.464 38.002 38.487 -0.036 0.000 1.003 155 N HN 0.329 nan 8.380 nan 0.000 0.424 156 G N 0.610 109.256 108.800 -0.258 0.000 2.524 156 G HA2 -0.271 3.689 3.960 0.000 0.000 0.215 156 G HA3 -0.271 3.689 3.960 0.000 0.000 0.215 156 G C 1.453 176.118 174.900 -0.392 0.000 1.239 156 G CA 1.119 46.029 45.100 -0.318 0.000 0.798 156 G HN 0.392 nan 8.290 nan 0.000 0.557 157 M N 0.338 119.554 119.600 -0.641 0.000 2.146 157 M HA -0.112 4.368 4.480 0.000 0.000 0.251 157 M C 2.222 178.297 176.300 -0.375 0.000 1.083 157 M CA 1.457 56.385 55.300 -0.620 0.000 1.076 157 M CB -0.479 31.546 32.600 -0.958 0.000 1.332 157 M HN 0.176 nan 8.290 nan 0.000 0.400 158 L N -1.089 119.946 121.223 -0.314 0.000 2.465 158 L HA -0.096 4.244 4.340 0.000 0.000 0.224 158 L C 1.983 178.763 176.870 -0.149 0.000 1.145 158 L CA 0.540 55.265 54.840 -0.192 0.000 0.834 158 L CB -0.361 41.612 42.059 -0.143 0.000 0.944 158 L HN 0.437 nan 8.230 nan 0.000 0.451 159 I N -1.343 119.125 120.570 -0.170 0.000 2.628 159 I HA -0.165 4.005 4.170 0.000 0.000 0.255 159 I C 2.522 178.539 176.117 -0.167 0.000 1.119 159 I CA 0.826 62.037 61.300 -0.148 0.000 1.448 159 I CB -0.059 37.865 38.000 -0.127 0.000 1.133 159 I HN 0.214 nan 8.210 nan 0.000 0.438 160 S N 1.708 117.306 115.700 -0.171 0.000 2.440 160 S HA -0.145 4.325 4.470 0.000 0.000 0.240 160 S C 1.863 176.384 174.600 -0.132 0.000 1.014 160 S CA 1.011 59.122 58.200 -0.149 0.000 0.980 160 S CB -0.823 62.288 63.200 -0.147 0.000 0.775 160 S HN 0.418 nan 8.310 nan 0.000 0.499 161 L N 0.411 121.559 121.223 -0.125 0.000 2.291 161 L HA 0.179 4.519 4.340 0.000 0.000 0.214 161 L C 0.915 177.709 176.870 -0.127 0.000 1.120 161 L CA 0.242 55.025 54.840 -0.094 0.000 0.799 161 L CB -0.783 41.238 42.059 -0.063 0.000 0.925 161 L HN 0.291 nan 8.230 nan 0.000 0.446 162 L N 1.547 122.656 121.223 -0.190 0.000 2.578 162 L HA -0.089 4.251 4.340 0.000 0.000 0.279 162 L C 0.233 176.900 176.870 -0.338 0.000 1.227 162 L CA 0.232 54.897 54.840 -0.290 0.000 0.900 162 L CB -0.157 41.639 42.059 -0.439 0.000 1.144 162 L HN 0.162 nan 8.230 nan 0.000 0.496 163 N N 2.870 121.414 118.700 -0.260 0.000 2.417 163 N HA 0.258 4.998 4.740 0.000 0.000 0.274 163 N C -1.439 174.032 175.510 -0.066 0.000 0.987 163 N CA -0.333 52.627 53.050 -0.150 0.000 0.912 163 N CB 0.632 39.087 38.487 -0.053 0.000 1.177 163 N HN 0.298 nan 8.380 nan 0.000 0.490 164 Y N 1.709 122.008 120.300 -0.002 0.000 2.434 164 Y HA 0.212 4.762 4.550 0.000 0.000 0.341 164 Y C 0.211 176.112 175.900 0.001 0.000 0.965 164 Y CA -0.916 57.184 58.100 -0.000 0.000 1.205 164 Y CB 1.119 39.578 38.460 -0.001 0.000 1.121 164 Y HN 0.332 nan 8.280 nan 0.000 0.507 165 E N 4.717 125.024 120.200 0.178 0.000 1.852 165 E HA -0.014 4.336 4.350 0.000 0.000 0.276 165 E C -0.677 175.954 176.600 0.051 0.000 1.163 165 E CA 0.167 56.620 56.400 0.088 0.000 1.117 165 E CB -0.176 29.563 29.700 0.064 0.000 1.124 165 E HN 0.716 nan 8.360 nan 0.000 0.458 166 D N 1.931 122.358 120.400 0.044 0.000 2.812 166 D HA -0.206 4.434 4.640 0.000 0.000 0.237 166 D C 1.035 177.314 176.300 -0.034 0.000 1.162 166 D CA 1.219 55.223 54.000 0.008 0.000 0.740 166 D CB -0.963 39.841 40.800 0.005 0.000 1.000 166 D HN 0.826 nan 8.370 nan 0.000 0.416 167 G N -1.717 107.030 108.800 -0.088 0.000 2.347 167 G HA2 -0.365 3.595 3.960 0.000 0.000 0.247 167 G HA3 -0.365 3.595 3.960 0.000 0.000 0.247 167 G C 0.484 175.238 174.900 -0.245 0.000 1.037 167 G CA 0.312 45.293 45.100 -0.198 0.000 0.622 167 G HN 0.636 nan 8.290 nan 0.000 0.521 168 V N 2.172 122.025 119.914 -0.100 0.000 2.465 168 V HA 0.627 4.747 4.120 0.000 0.000 0.279 168 V C 0.555 176.708 176.094 0.098 0.000 1.045 168 V CA -0.487 61.793 62.300 -0.033 0.000 0.938 168 V CB 1.586 33.413 31.823 0.007 0.000 0.986 168 V HN 0.533 nan 8.190 nan 0.000 0.467 169 L N 4.442 125.760 121.223 0.157 0.000 2.319 169 L HA 0.429 4.769 4.340 0.000 0.000 0.280 169 L C 0.046 177.022 176.870 0.176 0.000 1.099 169 L CA 0.069 55.129 54.840 0.366 0.000 0.828 169 L CB 0.877 43.183 42.059 0.412 0.000 1.150 169 L HN 0.707 nan 8.230 nan 0.000 0.442 170 D N 7.560 128.043 120.400 0.138 0.000 2.338 170 D HA 0.164 4.804 4.640 0.000 0.000 0.255 170 D C -1.558 174.770 176.300 0.046 0.000 1.237 170 D CA -1.847 52.194 54.000 0.068 0.000 0.883 170 D CB 1.234 42.060 40.800 0.043 0.000 1.087 170 D HN 0.435 nan 8.370 nan 0.000 0.485 171 P HA -0.205 nan 4.420 nan 0.000 0.216 171 P C 0.548 177.860 177.300 0.020 0.000 1.154 171 P CA 1.068 64.187 63.100 0.032 0.000 0.865 171 P CB -0.084 31.633 31.700 0.029 0.000 0.789 172 S N -1.023 114.687 115.700 0.016 0.000 2.859 172 S HA 0.167 4.637 4.470 0.000 0.000 0.245 172 S C 1.157 175.762 174.600 0.008 0.000 1.008 172 S CA 0.198 58.405 58.200 0.013 0.000 1.089 172 S CB -1.178 62.029 63.200 0.012 0.000 0.798 172 S HN 0.313 nan 8.310 nan 0.000 0.477 173 S N 0.155 115.854 115.700 -0.002 0.000 2.847 173 S HA 0.390 4.860 4.470 0.000 0.000 0.254 173 S C 0.031 174.610 174.600 -0.034 0.000 1.039 173 S CA -0.727 57.459 58.200 -0.025 0.000 1.113 173 S CB -0.382 62.788 63.200 -0.050 0.000 1.092 173 S HN 0.544 nan 8.310 nan 0.000 0.620 174 I N 1.903 122.466 120.570 -0.013 0.000 2.354 174 I HA 0.558 4.728 4.170 0.000 0.000 0.292 174 I C -0.871 175.249 176.117 0.006 0.000 0.989 174 I CA -1.229 60.063 61.300 -0.013 0.000 1.188 174 I CB 1.881 39.880 38.000 -0.001 0.000 1.342 174 I HN -0.120 nan 8.210 nan 0.000 0.457 175 V N 7.524 127.438 119.914 0.001 0.000 2.313 175 V HA 0.287 4.407 4.120 0.000 0.000 0.278 175 V C -2.198 173.901 176.094 0.008 0.000 1.017 175 V CA -1.817 60.496 62.300 0.023 0.000 0.823 175 V CB 1.171 33.012 31.823 0.029 0.000 1.010 175 V HN 0.593 nan 8.190 nan 0.000 0.443 176 P HA 0.063 nan 4.420 nan 0.000 0.261 176 P C -0.739 176.553 177.300 -0.013 0.000 1.183 176 P CA 0.020 63.120 63.100 -0.001 0.000 0.761 176 P CB 0.399 32.102 31.700 0.006 0.000 0.785 177 L N 5.958 127.165 121.223 -0.026 0.000 2.318 177 L HA 0.475 4.815 4.340 0.000 0.000 0.277 177 L C -1.148 175.694 176.870 -0.048 0.000 1.008 177 L CA -0.445 54.372 54.840 -0.038 0.000 0.846 177 L CB 0.510 42.546 42.059 -0.039 0.000 1.220 177 L HN 0.104 nan 8.230 nan 0.000 0.423 178 I N 4.355 124.889 120.570 -0.061 0.000 2.331 178 I HA 0.385 4.555 4.170 0.000 0.000 0.292 178 I C -0.106 175.961 176.117 -0.084 0.000 0.998 178 I CA 0.008 61.261 61.300 -0.078 0.000 1.267 178 I CB 1.422 39.371 38.000 -0.086 0.000 1.386 178 I HN 0.652 nan 8.210 nan 0.000 0.476 179 D N 4.026 124.369 120.400 -0.095 0.000 2.252 179 D HA 0.732 5.372 4.640 0.000 0.000 0.245 179 D C -0.288 175.943 176.300 -0.116 0.000 1.009 179 D CA -0.512 53.437 54.000 -0.085 0.000 0.870 179 D CB 1.518 42.286 40.800 -0.052 0.000 1.251 179 D HN 0.651 nan 8.370 nan 0.000 0.460 180 G N 0.585 109.331 108.800 -0.091 0.000 2.482 180 G HA2 0.647 4.607 3.960 0.000 0.000 0.317 180 G HA3 0.647 4.607 3.960 0.000 0.000 0.317 180 G C -0.680 174.182 174.900 -0.064 0.000 1.241 180 G CA -0.823 44.216 45.100 -0.102 0.000 0.967 180 G HN 0.582 nan 8.290 nan 0.000 0.482 181 G N -0.571 108.190 108.800 -0.064 0.000 2.682 181 G HA2 0.652 4.612 3.960 0.000 0.000 0.300 181 G HA3 0.652 4.612 3.960 0.000 0.000 0.300 181 G C -1.122 173.769 174.900 -0.014 0.000 1.391 181 G CA -0.333 44.761 45.100 -0.009 0.000 0.990 181 G HN 0.689 nan 8.290 nan 0.000 0.501 182 T N -0.180 114.376 114.554 0.004 0.000 2.864 182 T HA 0.715 5.065 4.350 0.000 0.000 0.299 182 T C -1.426 173.285 174.700 0.017 0.000 1.166 182 T CA -0.477 61.622 62.100 -0.001 0.000 1.007 182 T CB 2.187 71.031 68.868 -0.041 0.000 1.219 182 T HN 0.641 nan 8.240 nan 0.000 0.506 183 E N 0.828 121.038 120.200 0.017 0.000 2.749 183 E HA 0.413 4.763 4.350 0.000 0.000 0.360 183 E C 0.200 176.808 176.600 0.013 0.000 1.037 183 E CA 0.447 56.858 56.400 0.019 0.000 0.684 183 E CB -0.318 29.416 29.700 0.057 0.000 1.422 183 E HN 1.084 nan 8.360 nan 0.000 0.407 184 G N 2.753 111.517 108.800 -0.061 0.000 2.531 184 G HA2 -0.376 3.584 3.960 0.000 0.000 0.274 184 G HA3 -0.376 3.584 3.960 0.000 0.000 0.274 184 G C 0.274 175.053 174.900 -0.202 0.000 1.159 184 G CA 0.414 45.431 45.100 -0.138 0.000 0.969 184 G HN 0.466 nan 8.290 nan 0.000 0.554 185 F N 2.379 122.385 119.950 0.092 0.000 2.765 185 F HA 0.341 4.868 4.527 0.000 0.000 0.302 185 F C 1.603 177.521 175.800 0.197 0.000 1.111 185 F CA 0.694 58.776 58.000 0.137 0.000 1.359 185 F CB 0.331 39.393 39.000 0.103 0.000 1.097 185 F HN 0.074 nan 8.300 nan 0.000 0.577 186 K N 0.044 120.614 120.400 0.283 0.000 2.110 186 K HA 0.672 4.992 4.320 0.000 0.000 0.263 186 K C 0.146 176.881 176.600 0.224 0.000 0.975 186 K CA -0.488 55.953 56.287 0.257 0.000 0.895 186 K CB 1.584 34.192 32.500 0.180 0.000 1.060 186 K HN 0.090 nan 8.250 nan 0.000 0.448 187 G N 1.014 109.962 108.800 0.247 0.000 2.660 187 G HA2 0.401 4.361 3.960 0.000 0.000 0.290 187 G HA3 0.401 4.361 3.960 0.000 0.000 0.290 187 G C -1.875 173.079 174.900 0.090 0.000 1.432 187 G CA -0.769 44.407 45.100 0.127 0.000 0.807 187 G HN 0.707 nan 8.290 nan 0.000 0.485 188 N N -0.962 117.725 118.700 -0.021 0.000 2.405 188 N HA 0.690 5.430 4.740 0.000 0.000 0.274 188 N C -1.141 174.217 175.510 -0.253 0.000 1.170 188 N CA -0.504 52.463 53.050 -0.137 0.000 0.848 188 N CB 2.225 40.626 38.487 -0.143 0.000 1.629 188 N HN 1.124 nan 8.380 nan 0.000 0.481 189 A N 1.179 123.773 122.820 -0.378 0.000 2.449 189 A HA 0.846 5.167 4.320 0.000 0.000 0.302 189 A C -0.651 176.633 177.584 -0.500 0.000 1.048 189 A CA -0.818 51.010 52.037 -0.347 0.000 0.708 189 A CB 1.782 20.639 19.000 -0.239 0.000 1.274 189 A HN 0.880 nan 8.150 nan 0.000 0.410 190 R N 0.650 120.915 120.500 -0.392 0.000 2.774 190 R HA 0.814 5.154 4.340 0.000 0.000 0.272 190 R C -1.991 174.199 176.300 -0.184 0.000 1.000 190 R CA -0.678 55.210 56.100 -0.353 0.000 0.906 190 R CB 1.486 31.555 30.300 -0.386 0.000 1.227 190 R HN 0.382 nan 8.270 nan 0.000 0.468 191 V N 2.631 122.468 119.914 -0.129 0.000 2.555 191 V HA 0.565 4.685 4.120 0.000 0.000 0.302 191 V C -0.141 175.926 176.094 -0.046 0.000 1.038 191 V CA -0.722 61.531 62.300 -0.079 0.000 0.887 191 V CB 1.802 33.586 31.823 -0.065 0.000 0.991 191 V HN 0.605 nan 8.190 nan 0.000 0.434 192 I N 4.979 125.529 120.570 -0.034 0.000 2.730 192 I HA 0.494 4.664 4.170 0.000 0.000 0.298 192 I C -0.946 175.164 176.117 -0.012 0.000 1.089 192 I CA -0.607 60.684 61.300 -0.016 0.000 1.041 192 I CB 2.427 40.418 38.000 -0.014 0.000 1.235 192 I HN 0.370 nan 8.210 nan 0.000 0.423 193 L N 6.794 128.016 121.223 -0.002 0.000 2.502 193 L HA 0.311 4.651 4.340 0.000 0.000 0.249 193 L C -2.351 174.522 176.870 0.005 0.000 1.446 193 L CA -1.550 53.290 54.840 0.001 0.000 0.887 193 L CB 0.993 43.056 42.059 0.008 0.000 1.126 193 L HN 0.289 nan 8.230 nan 0.000 0.509 194 P HA -0.127 nan 4.420 nan 0.000 0.255 194 P C 0.906 178.209 177.300 0.005 0.000 1.141 194 P CA 1.494 64.588 63.100 -0.011 0.000 0.767 194 P CB 0.483 32.158 31.700 -0.042 0.000 0.726 195 G N 2.518 111.340 108.800 0.037 0.000 2.131 195 G HA2 -0.223 3.737 3.960 0.000 0.000 0.201 195 G HA3 -0.223 3.737 3.960 0.000 0.000 0.201 195 G C 0.199 175.152 174.900 0.089 0.000 1.000 195 G CA 0.321 45.475 45.100 0.090 0.000 0.680 195 G HN 0.512 nan 8.290 nan 0.000 0.514 196 M N -1.958 117.677 119.600 0.059 0.000 1.528 196 M HA 0.104 4.584 4.480 0.000 0.000 0.169 196 M C 0.704 177.029 176.300 0.043 0.000 1.321 196 M CA 0.623 55.954 55.300 0.051 0.000 0.724 196 M CB 0.313 32.941 32.600 0.045 0.000 1.626 196 M HN 0.072 nan 8.290 nan 0.000 0.623 197 T N 1.736 116.312 114.554 0.036 0.000 2.874 197 T HA 0.581 4.931 4.350 0.000 0.000 0.281 197 T C -0.147 174.576 174.700 0.039 0.000 0.994 197 T CA -0.303 61.818 62.100 0.035 0.000 1.015 197 T CB 1.320 70.203 68.868 0.025 0.000 1.028 197 T HN 0.344 nan 8.240 nan 0.000 0.523 198 A N 1.122 123.971 122.820 0.049 0.000 2.520 198 A HA 0.339 4.659 4.320 0.000 0.000 0.245 198 A C 1.179 178.793 177.584 0.051 0.000 1.072 198 A CA -0.686 51.384 52.037 0.055 0.000 0.761 198 A CB -0.874 18.170 19.000 0.073 0.000 1.004 198 A HN 1.104 nan 8.150 nan 0.000 0.499 199 C N 2.494 121.820 119.300 0.044 0.000 2.694 199 C HA 0.495 4.955 4.460 0.000 0.000 0.324 199 C C 1.804 176.829 174.990 0.058 0.000 1.813 199 C CA -0.553 58.486 59.018 0.036 0.000 2.009 199 C CB -0.441 27.310 27.740 0.019 0.000 1.939 199 C HN 0.722 nan 8.230 nan 0.000 0.551 200 I N 0.360 120.963 120.570 0.055 0.000 2.406 200 I HA -0.039 4.131 4.170 0.000 0.000 0.249 200 I C 2.561 178.741 176.117 0.106 0.000 1.122 200 I CA 1.588 62.946 61.300 0.096 0.000 1.431 200 I CB -1.569 36.482 38.000 0.085 0.000 1.087 200 I HN 0.797 nan 8.210 nan 0.000 0.424 201 E N 0.292 120.530 120.200 0.063 0.000 2.268 201 E HA -0.130 4.220 4.350 0.000 0.000 0.195 201 E C 2.321 178.953 176.600 0.053 0.000 0.995 201 E CA 0.798 57.228 56.400 0.050 0.000 0.836 201 E CB -0.043 29.667 29.700 0.017 0.000 0.763 201 E HN 0.415 nan 8.360 nan 0.000 0.491 202 C N -0.299 119.034 119.300 0.056 0.000 2.548 202 C HA -0.102 4.358 4.460 0.000 0.000 0.284 202 C C 2.109 177.136 174.990 0.061 0.000 1.252 202 C CA 1.506 60.556 59.018 0.053 0.000 1.725 202 C CB -1.261 26.512 27.740 0.055 0.000 2.098 202 C HN 0.538 nan 8.230 nan 0.000 0.471 203 T N 0.342 114.944 114.554 0.079 0.000 3.667 203 T HA 0.137 4.487 4.350 0.000 0.000 0.240 203 T C 0.878 175.632 174.700 0.089 0.000 0.919 203 T CA 0.039 62.181 62.100 0.070 0.000 0.928 203 T CB -0.471 68.449 68.868 0.086 0.000 1.151 203 T HN 0.299 nan 8.240 nan 0.000 0.644 204 L N 0.973 122.263 121.223 0.112 0.000 2.201 204 L HA 0.150 4.490 4.340 0.000 0.000 0.212 204 L C 1.987 178.971 176.870 0.190 0.000 1.105 204 L CA 1.576 56.527 54.840 0.185 0.000 0.775 204 L CB -0.455 41.677 42.059 0.121 0.000 0.913 204 L HN 0.353 nan 8.230 nan 0.000 0.440 205 E N -0.753 119.503 120.200 0.094 0.000 2.489 205 E HA -0.011 4.339 4.350 0.000 0.000 0.193 205 E C 1.920 178.545 176.600 0.041 0.000 1.057 205 E CA 0.015 56.460 56.400 0.075 0.000 0.866 205 E CB -0.010 29.713 29.700 0.039 0.000 0.916 205 E HN 0.521 nan 8.360 nan 0.000 0.500 206 L N 0.385 121.595 121.223 -0.022 0.000 2.465 206 L HA -0.039 4.301 4.340 0.000 0.000 0.224 206 L C 0.386 177.174 176.870 -0.136 0.000 1.145 206 L CA 0.444 55.225 54.840 -0.099 0.000 0.834 206 L CB -0.164 41.800 42.059 -0.159 0.000 0.944 206 L HN 0.148 nan 8.230 nan 0.000 0.451 207 Y N 0.460 120.803 120.300 0.072 0.000 2.319 207 Y HA 0.181 4.731 4.550 0.000 0.000 0.328 207 Y C -1.497 174.433 175.900 0.050 0.000 1.133 207 Y CA -2.275 55.864 58.100 0.064 0.000 1.265 207 Y CB 0.021 38.512 38.460 0.051 0.000 1.218 207 Y HN -0.050 nan 8.280 nan 0.000 0.508 208 P HA 0.100 nan 4.420 nan 0.000 0.271 208 P C -2.581 174.788 177.300 0.114 0.000 1.244 208 P CA -0.993 62.184 63.100 0.128 0.000 0.793 208 P CB -0.030 31.740 31.700 0.117 0.000 0.984 209 P HA 0.188 nan 4.420 nan 0.000 0.293 209 P C -0.934 176.399 177.300 0.055 0.000 1.313 209 P CA -0.511 62.628 63.100 0.064 0.000 0.787 209 P CB 0.313 32.048 31.700 0.058 0.000 0.910 210 Q N 1.722 121.544 119.800 0.037 0.000 2.271 210 Q HA 0.177 4.517 4.340 0.000 0.000 0.273 210 Q C -0.501 175.508 176.000 0.014 0.000 1.051 210 Q CA -0.603 55.208 55.803 0.014 0.000 0.901 210 Q CB 0.105 28.835 28.738 -0.013 0.000 1.174 210 Q HN 0.147 nan 8.270 nan 0.000 0.385 211 V N 4.102 124.028 119.914 0.020 0.000 2.420 211 V HA -0.067 4.053 4.120 0.000 0.000 0.274 211 V C 0.131 176.210 176.094 -0.025 0.000 1.003 211 V CA 0.369 62.701 62.300 0.054 0.000 1.092 211 V CB -0.805 31.081 31.823 0.104 0.000 1.002 211 V HN 0.840 nan 8.190 nan 0.000 0.473 212 N N 4.884 123.611 118.700 0.045 0.000 2.443 212 N HA 0.441 5.181 4.740 0.000 0.000 0.269 212 N C -0.608 175.022 175.510 0.200 0.000 0.985 212 N CA -0.620 52.435 53.050 0.008 0.000 0.921 212 N CB 0.885 39.378 38.487 0.009 0.000 1.195 212 N HN 0.564 nan 8.380 nan 0.000 0.492 213 F N 2.925 122.892 119.950 0.028 0.000 2.504 213 F HA 0.204 4.731 4.527 0.000 0.000 0.369 213 F C -1.590 174.194 175.800 -0.026 0.000 1.082 213 F CA -1.893 56.107 58.000 -0.001 0.000 1.216 213 F CB 0.512 39.513 39.000 0.003 0.000 1.108 213 F HN 0.240 nan 8.300 nan 0.000 0.554 214 P HA 0.034 nan 4.420 nan 0.000 0.276 214 P C 0.732 178.053 177.300 0.036 0.000 1.264 214 P CA -0.076 63.059 63.100 0.058 0.000 0.769 214 P CB 0.804 32.514 31.700 0.017 0.000 0.840 215 M N 3.651 123.284 119.600 0.055 0.000 2.192 215 M HA -0.328 4.152 4.480 0.000 0.000 0.256 215 M C 1.639 177.954 176.300 0.025 0.000 1.076 215 M CA 2.372 57.706 55.300 0.056 0.000 1.075 215 M CB -0.346 32.290 32.600 0.059 0.000 1.368 215 M HN 0.445 nan 8.290 nan 0.000 0.406 216 A N 0.337 123.161 122.820 0.006 0.000 1.859 216 A HA -0.297 4.023 4.320 0.000 0.000 0.218 216 A C 2.175 179.729 177.584 -0.050 0.000 1.209 216 A CA 3.285 55.316 52.037 -0.010 0.000 0.639 216 A CB -1.767 17.226 19.000 -0.012 0.000 0.835 216 A HN 0.727 nan 8.150 nan 0.000 0.450 217 T N -1.435 113.057 114.554 -0.105 0.000 2.803 217 T HA -0.098 4.252 4.350 0.000 0.000 0.269 217 T C 1.740 176.296 174.700 -0.239 0.000 1.052 217 T CA 1.597 63.580 62.100 -0.196 0.000 1.136 217 T CB -0.718 67.953 68.868 -0.328 0.000 0.864 217 T HN 0.390 nan 8.240 nan 0.000 0.467 218 I N 1.136 121.604 120.570 -0.170 0.000 2.493 218 I HA 0.013 4.183 4.170 0.000 0.000 0.254 218 I C 2.854 178.937 176.117 -0.056 0.000 1.160 218 I CA 1.193 62.447 61.300 -0.076 0.000 1.445 218 I CB -0.337 37.722 38.000 0.097 0.000 1.086 218 I HN 0.431 nan 8.210 nan 0.000 0.433 219 A N -1.099 121.696 122.820 -0.041 0.000 2.127 219 A HA 0.143 4.463 4.320 0.000 0.000 0.204 219 A C 2.198 179.724 177.584 -0.096 0.000 1.243 219 A CA 0.334 52.344 52.037 -0.044 0.000 0.887 219 A CB 0.109 19.183 19.000 0.124 0.000 0.933 219 A HN 0.231 nan 8.150 nan 0.000 0.479 220 S N -0.110 115.548 115.700 -0.070 0.000 2.510 220 S HA 0.222 4.692 4.470 0.000 0.000 0.230 220 S C 0.782 175.375 174.600 -0.011 0.000 1.066 220 S CA 0.832 59.023 58.200 -0.016 0.000 0.941 220 S CB 0.001 63.202 63.200 0.001 0.000 0.829 220 S HN 0.656 nan 8.310 nan 0.000 0.530 221 M N 0.980 120.529 119.600 -0.085 0.000 1.949 221 M HA 0.536 5.016 4.480 0.000 0.000 0.234 221 M C -3.510 172.701 176.300 -0.148 0.000 0.855 221 M CA -1.866 53.395 55.300 -0.065 0.000 0.800 221 M CB 1.483 34.068 32.600 -0.025 0.000 1.697 221 M HN -0.235 nan 8.290 nan 0.000 0.357 222 P HA 0.462 nan 4.420 nan 0.000 0.276 222 P C -0.343 176.954 177.300 -0.006 0.000 1.244 222 P CA -0.312 62.680 63.100 -0.181 0.000 0.801 222 P CB 1.072 32.517 31.700 -0.425 0.000 1.006 223 R N 0.302 120.892 120.500 0.150 0.000 2.769 223 R HA 0.293 4.633 4.340 0.000 0.000 0.191 223 R C 0.056 176.311 176.300 -0.075 0.000 0.881 223 R CA -0.084 56.045 56.100 0.047 0.000 1.133 223 R CB 0.070 30.410 30.300 0.067 0.000 1.607 223 R HN 0.278 nan 8.270 nan 0.000 0.613 224 L N 1.793 122.848 121.223 -0.280 0.000 2.334 224 L HA 0.436 4.776 4.340 0.000 0.000 0.272 224 L C -1.946 174.775 176.870 -0.249 0.000 1.020 224 L CA -2.363 52.255 54.840 -0.370 0.000 0.812 224 L CB 1.392 43.050 42.059 -0.669 0.000 1.264 224 L HN -0.290 nan 8.230 nan 0.000 0.439 225 P HA -0.158 nan 4.420 nan 0.000 0.218 225 P C 0.854 178.145 177.300 -0.015 0.000 1.146 225 P CA 1.077 64.151 63.100 -0.042 0.000 0.813 225 P CB 0.344 32.042 31.700 -0.003 0.000 0.778 226 E N -1.382 118.782 120.200 -0.060 0.000 2.058 226 E HA -0.212 4.138 4.350 0.000 0.000 0.194 226 E C 1.860 178.583 176.600 0.204 0.000 0.997 226 E CA 1.272 57.724 56.400 0.086 0.000 0.801 226 E CB -0.964 28.819 29.700 0.138 0.000 0.746 226 E HN 0.531 nan 8.360 nan 0.000 0.450 227 H N -1.297 117.770 119.070 -0.005 0.000 2.457 227 H HA -0.091 4.465 4.556 0.000 0.000 0.297 227 H C 1.783 177.118 175.328 0.012 0.000 1.092 227 H CA 0.674 56.695 56.048 -0.045 0.000 1.309 227 H CB 0.002 29.632 29.762 -0.219 0.000 1.382 227 H HN 0.226 nan 8.280 nan 0.000 0.535 228 C N 0.262 119.626 119.300 0.106 0.000 2.518 228 C HA -0.064 4.396 4.460 0.000 0.000 0.279 228 C C 2.689 177.776 174.990 0.162 0.000 1.279 228 C CA 0.257 59.315 59.018 0.065 0.000 1.703 228 C CB -0.647 27.098 27.740 0.008 0.000 2.072 228 C HN 0.480 nan 8.230 nan 0.000 0.487 229 I N 1.188 121.844 120.570 0.143 0.000 2.069 229 I HA -0.257 3.913 4.170 0.000 0.000 0.237 229 I C 2.609 178.832 176.117 0.177 0.000 1.053 229 I CA 2.107 63.495 61.300 0.146 0.000 1.311 229 I CB -0.836 37.242 38.000 0.130 0.000 1.030 229 I HN 0.302 nan 8.210 nan 0.000 0.398 230 E N 0.414 120.745 120.200 0.219 0.000 2.253 230 E HA -0.308 4.042 4.350 0.000 0.000 0.202 230 E C 1.873 178.599 176.600 0.210 0.000 1.014 230 E CA 1.671 58.202 56.400 0.217 0.000 0.823 230 E CB -0.388 29.533 29.700 0.369 0.000 0.736 230 E HN 0.586 nan 8.360 nan 0.000 0.478 231 Y N -0.525 119.836 120.300 0.101 0.000 2.153 231 Y HA -0.057 4.493 4.550 0.000 0.000 0.289 231 Y C 2.016 177.970 175.900 0.090 0.000 1.119 231 Y CA 1.504 59.647 58.100 0.072 0.000 1.116 231 Y CB -0.493 37.980 38.460 0.022 0.000 1.004 231 Y HN -0.083 nan 8.280 nan 0.000 0.501 232 V N 2.213 122.198 119.914 0.118 0.000 2.944 232 V HA -0.273 3.847 4.120 0.000 0.000 0.265 232 V C 2.310 178.468 176.094 0.108 0.000 1.125 232 V CA 2.265 64.581 62.300 0.028 0.000 1.145 232 V CB -0.925 30.927 31.823 0.049 0.000 0.725 232 V HN 0.468 nan 8.190 nan 0.000 0.510 233 R N -0.360 120.184 120.500 0.075 0.000 2.076 233 R HA 0.135 4.475 4.340 0.000 0.000 0.203 233 R C 2.263 178.579 176.300 0.028 0.000 1.229 233 R CA 0.608 56.750 56.100 0.070 0.000 1.094 233 R CB -0.261 30.053 30.300 0.022 0.000 0.991 233 R HN 0.371 nan 8.270 nan 0.000 0.471 234 M N 0.716 120.319 119.600 0.006 0.000 2.446 234 M HA -0.063 4.417 4.480 0.000 0.000 0.263 234 M C 0.761 177.051 176.300 -0.017 0.000 1.066 234 M CA 1.536 56.836 55.300 0.000 0.000 1.087 234 M CB 0.306 32.921 32.600 0.026 0.000 1.406 234 M HN 0.353 nan 8.290 nan 0.000 0.459 235 L N -2.721 118.440 121.223 -0.103 0.000 2.678 235 L HA 0.053 4.393 4.340 0.000 0.000 0.187 235 L C 2.114 178.899 176.870 -0.141 0.000 1.073 235 L CA 0.071 54.819 54.840 -0.154 0.000 0.883 235 L CB -0.715 41.178 42.059 -0.277 0.000 1.501 235 L HN 0.067 nan 8.230 nan 0.000 0.488 236 Q N 0.290 119.898 119.800 -0.320 0.000 2.197 236 Q HA -0.266 4.074 4.340 0.000 0.000 0.207 236 Q C 2.011 178.159 176.000 0.247 0.000 0.984 236 Q CA 2.309 58.066 55.803 -0.076 0.000 0.869 236 Q CB -0.076 28.598 28.738 -0.107 0.000 0.906 236 Q HN 0.595 nan 8.270 nan 0.000 0.426 237 W N 0.981 122.363 121.300 0.136 0.000 2.413 237 W HA -0.008 4.652 4.660 0.000 0.000 0.315 237 W C -1.203 175.319 176.519 0.007 0.000 1.186 237 W CA 1.025 58.450 57.345 0.134 0.000 1.326 237 W CB -1.423 28.121 29.460 0.139 0.000 1.153 237 W HN 0.112 nan 8.180 nan 0.000 0.489 238 P HA -0.186 nan 4.420 nan 0.000 0.220 238 P C 1.330 178.667 177.300 0.060 0.000 1.144 238 P CA 2.320 65.544 63.100 0.206 0.000 0.800 238 P CB -0.114 31.681 31.700 0.158 0.000 0.772 239 K N 1.180 121.606 120.400 0.043 0.000 1.992 239 K HA -0.089 4.231 4.320 0.000 0.000 0.210 239 K C 1.160 177.739 176.600 -0.035 0.000 1.036 239 K CA 1.230 57.523 56.287 0.010 0.000 0.946 239 K CB -0.688 31.827 32.500 0.025 0.000 0.742 239 K HN 0.109 nan 8.250 nan 0.000 0.442 240 E N 2.097 122.271 120.200 -0.043 0.000 2.422 240 E HA 0.029 4.379 4.350 0.000 0.000 0.267 240 E C -0.779 175.654 176.600 -0.279 0.000 1.466 240 E CA -0.277 56.062 56.400 -0.101 0.000 1.767 240 E CB -0.263 29.424 29.700 -0.020 0.000 1.471 240 E HN 0.120 nan 8.360 nan 0.000 0.446 241 Q N 0.491 120.093 119.800 -0.330 0.000 2.524 241 Q HA -0.176 4.164 4.340 0.000 0.000 0.241 241 Q C -1.589 173.973 176.000 -0.730 0.000 1.234 241 Q CA 0.291 55.784 55.803 -0.517 0.000 0.852 241 Q CB -0.451 28.111 28.738 -0.293 0.000 0.965 241 Q HN 0.457 nan 8.270 nan 0.000 0.331 242 P HA -0.190 nan 4.420 nan 0.000 0.216 242 P C 0.124 176.671 177.300 -1.255 0.000 1.167 242 P CA 1.501 63.646 63.100 -1.591 0.000 0.914 242 P CB 0.102 30.209 31.700 -2.655 0.000 0.793 243 F N -0.874 118.544 119.950 -0.885 0.000 2.389 243 F HA 0.561 5.088 4.527 0.000 0.000 0.327 243 F C 1.070 176.703 175.800 -0.279 0.000 1.204 243 F CA -0.290 57.455 58.000 -0.425 0.000 1.209 243 F CB 0.194 39.066 39.000 -0.214 0.000 1.460 243 F HN -0.011 nan 8.300 nan 0.000 0.537 244 G N 0.989 109.690 108.800 -0.165 0.000 2.733 244 G HA2 -0.190 3.770 3.960 0.000 0.000 0.686 244 G HA3 -0.190 3.770 3.960 0.000 0.000 0.686 244 G C -0.485 174.343 174.900 -0.120 0.000 1.373 244 G CA -1.123 43.915 45.100 -0.103 0.000 0.838 244 G HN 0.419 nan 8.290 nan 0.000 0.588 245 E N 0.117 120.266 120.200 -0.085 0.000 2.392 245 E HA 0.423 4.773 4.350 0.000 0.000 0.259 245 E C 1.570 178.154 176.600 -0.027 0.000 1.108 245 E CA 0.695 57.053 56.400 -0.070 0.000 0.916 245 E CB 0.666 30.335 29.700 -0.051 0.000 0.989 245 E HN 2.075 nan 8.360 nan 0.000 0.432 246 G N 0.972 109.767 108.800 -0.009 0.000 2.451 246 G HA2 -0.353 3.607 3.960 0.000 0.000 0.253 246 G HA3 -0.353 3.607 3.960 0.000 0.000 0.253 246 G C 0.493 175.432 174.900 0.065 0.000 1.033 246 G CA 0.484 45.600 45.100 0.027 0.000 0.633 246 G HN 0.431 nan 8.290 nan 0.000 0.537 247 V N 3.444 123.398 119.914 0.068 0.000 2.509 247 V HA 0.297 4.417 4.120 0.000 0.000 0.297 247 V C -0.918 175.342 176.094 0.277 0.000 1.014 247 V CA -0.301 62.081 62.300 0.138 0.000 1.127 247 V CB 0.625 32.526 31.823 0.129 0.000 0.925 247 V HN 0.282 nan 8.190 nan 0.000 0.480 248 P HA 0.241 nan 4.420 nan 0.000 0.274 248 P C -0.606 176.829 177.300 0.225 0.000 1.256 248 P CA -0.721 62.519 63.100 0.233 0.000 0.795 248 P CB 0.500 32.256 31.700 0.095 0.000 1.038 249 L N 1.677 122.763 121.223 -0.228 0.000 2.312 249 L HA 0.265 4.605 4.340 0.000 0.000 0.287 249 L C -0.395 176.335 176.870 -0.234 0.000 1.091 249 L CA -0.239 54.109 54.840 -0.820 0.000 0.846 249 L CB -1.066 40.132 42.059 -1.435 0.000 1.219 249 L HN 0.167 nan 8.230 nan 0.000 0.439 250 D N 3.300 123.807 120.400 0.178 0.000 2.402 250 D HA 0.247 4.887 4.640 0.000 0.000 0.235 250 D C 1.508 177.793 176.300 -0.025 0.000 1.226 250 D CA 0.627 54.643 54.000 0.026 0.000 0.918 250 D CB 1.048 41.769 40.800 -0.132 0.000 1.043 250 D HN 0.729 nan 8.370 nan 0.000 0.506 251 G N 3.313 112.068 108.800 -0.076 0.000 2.517 251 G HA2 -0.299 3.661 3.960 0.000 0.000 0.222 251 G HA3 -0.299 3.661 3.960 0.000 0.000 0.222 251 G C 1.107 175.969 174.900 -0.063 0.000 1.109 251 G CA 0.606 45.661 45.100 -0.075 0.000 0.746 251 G HN 0.553 nan 8.290 nan 0.000 0.576 252 D N 0.069 120.422 120.400 -0.079 0.000 2.333 252 D HA -0.025 4.615 4.640 0.000 0.000 0.208 252 D C 0.340 176.587 176.300 -0.088 0.000 0.984 252 D CA 0.093 54.049 54.000 -0.074 0.000 0.873 252 D CB 0.166 40.922 40.800 -0.073 0.000 0.935 252 D HN 0.216 nan 8.370 nan 0.000 0.521 253 D N 1.523 121.820 120.400 -0.171 0.000 2.383 253 D HA 0.025 4.665 4.640 0.000 0.000 0.245 253 D C -1.600 174.641 176.300 -0.098 0.000 1.263 253 D CA -1.937 51.908 54.000 -0.259 0.000 0.936 253 D CB 1.776 42.154 40.800 -0.704 0.000 1.053 253 D HN -0.118 nan 8.370 nan 0.000 0.507 254 P HA -0.244 nan 4.420 nan 0.000 0.219 254 P C 0.947 178.385 177.300 0.231 0.000 1.159 254 P CA 1.605 64.795 63.100 0.150 0.000 0.944 254 P CB 0.203 31.964 31.700 0.101 0.000 0.792 255 E N -2.113 118.191 120.200 0.173 0.000 2.187 255 E HA -0.264 4.086 4.350 0.000 0.000 0.199 255 E C 2.002 178.953 176.600 0.585 0.000 1.004 255 E CA 1.113 57.713 56.400 0.332 0.000 0.813 255 E CB -0.504 29.356 29.700 0.266 0.000 0.736 255 E HN 0.577 nan 8.360 nan 0.000 0.468 256 H N -0.052 119.156 119.070 0.231 0.000 2.307 256 H HA -0.039 4.517 4.556 0.000 0.000 0.303 256 H C 2.347 177.977 175.328 0.503 0.000 1.073 256 H CA 0.916 57.197 56.048 0.388 0.000 1.338 256 H CB 0.096 29.895 29.762 0.061 0.000 1.389 256 H HN 0.099 nan 8.280 nan 0.000 0.503 257 I N 0.754 121.600 120.570 0.461 0.000 2.179 257 I HA -0.280 3.890 4.170 0.000 0.000 0.242 257 I C 2.715 179.169 176.117 0.562 0.000 1.088 257 I CA 1.111 62.633 61.300 0.370 0.000 1.357 257 I CB -0.243 37.851 38.000 0.157 0.000 1.051 257 I HN 0.217 nan 8.210 nan 0.000 0.409 258 Q N 0.612 120.795 119.800 0.637 0.000 2.133 258 Q HA -0.287 4.053 4.340 0.000 0.000 0.208 258 Q C 1.893 178.256 176.000 0.605 0.000 0.991 258 Q CA 2.240 58.410 55.803 0.611 0.000 0.867 258 Q CB -0.598 28.387 28.738 0.412 0.000 0.911 258 Q HN 0.585 nan 8.270 nan 0.000 0.417 259 W N 0.117 121.684 121.300 0.446 0.000 2.378 259 W HA -0.083 4.577 4.660 0.000 0.000 0.313 259 W C 1.780 178.498 176.519 0.332 0.000 1.197 259 W CA 1.783 59.346 57.345 0.363 0.000 1.304 259 W CB -0.420 29.294 29.460 0.424 0.000 1.148 259 W HN 0.178 nan 8.180 nan 0.000 0.494 260 I N 0.198 121.103 120.570 0.559 0.000 2.248 260 I HA -0.332 3.838 4.170 0.000 0.000 0.248 260 I C 2.431 178.630 176.117 0.137 0.000 1.107 260 I CA 1.691 63.146 61.300 0.258 0.000 1.373 260 I CB -0.942 37.274 38.000 0.360 0.000 1.055 260 I HN 0.056 nan 8.210 nan 0.000 0.418 261 F N 2.054 122.083 119.950 0.132 0.000 2.046 261 F HA -0.312 4.215 4.527 0.000 0.000 0.297 261 F C 2.651 178.475 175.800 0.039 0.000 1.123 261 F CA 2.186 60.260 58.000 0.124 0.000 1.199 261 F CB -0.758 38.418 39.000 0.292 0.000 0.972 261 F HN -0.026 nan 8.300 nan 0.000 0.474 262 Q N 0.893 120.617 119.800 -0.128 0.000 2.096 262 Q HA -0.227 4.113 4.340 0.000 0.000 0.208 262 Q C 2.095 177.879 176.000 -0.360 0.000 0.993 262 Q CA 2.273 57.893 55.803 -0.304 0.000 0.862 262 Q CB -0.290 28.380 28.738 -0.113 0.000 0.915 262 Q HN 0.242 nan 8.270 nan 0.000 0.416 263 K N -0.540 119.596 120.400 -0.440 0.000 2.148 263 K HA 0.046 4.366 4.320 0.000 0.000 0.204 263 K C 2.219 178.686 176.600 -0.222 0.000 1.050 263 K CA 1.187 57.218 56.287 -0.427 0.000 0.942 263 K CB -0.279 31.753 32.500 -0.779 0.000 0.724 263 K HN 0.132 nan 8.250 nan 0.000 0.446 264 S N 1.633 117.228 115.700 -0.175 0.000 2.428 264 S HA 0.014 4.484 4.470 0.000 0.000 0.230 264 S C 1.906 176.429 174.600 -0.128 0.000 1.014 264 S CA 0.389 58.547 58.200 -0.070 0.000 0.957 264 S CB -0.058 63.146 63.200 0.007 0.000 0.784 264 S HN 0.198 nan 8.310 nan 0.000 0.499 265 L N 1.299 122.357 121.223 -0.276 0.000 2.093 265 L HA -0.114 4.226 4.340 0.000 0.000 0.208 265 L C 2.327 179.094 176.870 -0.171 0.000 1.085 265 L CA 1.385 56.042 54.840 -0.305 0.000 0.755 265 L CB -0.246 41.478 42.059 -0.558 0.000 0.904 265 L HN 0.361 nan 8.230 nan 0.000 0.435 266 E N -0.745 119.361 120.200 -0.157 0.000 2.072 266 E HA -0.251 4.099 4.350 0.000 0.000 0.190 266 E C 2.136 178.716 176.600 -0.033 0.000 0.982 266 E CA 0.702 57.048 56.400 -0.090 0.000 0.803 266 E CB 0.011 29.655 29.700 -0.093 0.000 0.755 266 E HN 0.240 nan 8.360 nan 0.000 0.453 267 R N 1.375 121.862 120.500 -0.022 0.000 2.073 267 R HA -0.124 4.216 4.340 0.000 0.000 0.234 267 R C 2.135 178.468 176.300 0.055 0.000 1.134 267 R CA 1.642 57.758 56.100 0.026 0.000 0.952 267 R CB -0.619 29.682 30.300 0.003 0.000 0.850 267 R HN 0.155 nan 8.270 nan 0.000 0.433 268 A N -0.541 122.283 122.820 0.005 0.000 1.892 268 A HA -0.236 4.084 4.320 0.000 0.000 0.218 268 A C 2.302 179.915 177.584 0.048 0.000 1.188 268 A CA 2.205 54.253 52.037 0.018 0.000 0.631 268 A CB -1.241 17.753 19.000 -0.011 0.000 0.822 268 A HN 0.492 nan 8.150 nan 0.000 0.447 269 S N -0.995 114.714 115.700 0.016 0.000 2.370 269 S HA -0.254 4.216 4.470 0.000 0.000 0.226 269 S C 2.167 176.779 174.600 0.020 0.000 1.033 269 S CA 1.772 59.977 58.200 0.008 0.000 1.011 269 S CB -0.412 62.777 63.200 -0.018 0.000 0.852 269 S HN 0.678 nan 8.310 nan 0.000 0.457 270 Q N -0.819 119.010 119.800 0.048 0.000 2.014 270 Q HA -0.163 4.177 4.340 0.000 0.000 0.207 270 Q C 1.207 177.150 176.000 -0.096 0.000 0.993 270 Q CA 2.019 57.813 55.803 -0.014 0.000 0.850 270 Q CB -0.297 28.473 28.738 0.053 0.000 0.916 270 Q HN 0.714 nan 8.270 nan 0.000 0.417 271 Y N 1.378 121.644 120.300 -0.058 0.000 2.470 271 Y HA 0.046 4.596 4.550 0.000 0.000 0.284 271 Y C 0.160 176.037 175.900 -0.038 0.000 1.188 271 Y CA -0.102 57.968 58.100 -0.050 0.000 1.269 271 Y CB -0.707 37.718 38.460 -0.058 0.000 1.094 271 Y HN 0.284 nan 8.280 nan 0.000 0.518 272 N N 0.551 119.299 118.700 0.081 0.000 2.678 272 N HA -0.282 4.458 4.740 0.000 0.000 0.268 272 N C -0.851 174.685 175.510 0.044 0.000 1.010 272 N CA 0.696 53.770 53.050 0.040 0.000 0.784 272 N CB -1.651 36.842 38.487 0.010 0.000 0.905 272 N HN 0.498 nan 8.380 nan 0.000 0.552 273 I N 0.828 121.427 120.570 0.048 0.000 2.330 273 I HA 0.269 4.439 4.170 0.000 0.000 0.289 273 I C 1.021 177.146 176.117 0.013 0.000 1.001 273 I CA -0.719 60.596 61.300 0.025 0.000 1.193 273 I CB 1.010 39.017 38.000 0.012 0.000 1.345 273 I HN 0.042 nan 8.210 nan 0.000 0.461 274 R N 3.843 124.349 120.500 0.011 0.000 2.528 274 R HA 0.613 4.953 4.340 0.000 0.000 0.271 274 R C 0.771 177.081 176.300 0.016 0.000 1.056 274 R CA -0.166 55.943 56.100 0.015 0.000 1.117 274 R CB 0.879 31.189 30.300 0.016 0.000 1.085 274 R HN 0.939 nan 8.270 nan 0.000 0.530 275 G N 0.186 109.006 108.800 0.032 0.000 2.151 275 G HA2 -0.186 3.774 3.960 0.000 0.000 0.140 275 G HA3 -0.186 3.774 3.960 0.000 0.000 0.140 275 G C -0.458 174.482 174.900 0.067 0.000 1.020 275 G CA -0.631 44.494 45.100 0.041 0.000 0.688 275 G HN 0.370 nan 8.290 nan 0.000 0.500 276 V N 1.834 121.800 119.914 0.087 0.000 2.334 276 V HA 0.684 4.804 4.120 0.000 0.000 0.267 276 V C 0.671 176.946 176.094 0.300 0.000 1.040 276 V CA 0.508 62.897 62.300 0.148 0.000 0.866 276 V CB 1.156 33.028 31.823 0.081 0.000 1.019 276 V HN 0.448 nan 8.190 nan 0.000 0.468 277 T N 3.393 118.124 114.554 0.294 0.000 2.885 277 T HA 0.373 4.723 4.350 0.000 0.000 0.285 277 T C 0.612 175.426 174.700 0.190 0.000 1.019 277 T CA -0.346 61.927 62.100 0.289 0.000 1.010 277 T CB 1.116 70.064 68.868 0.134 0.000 1.022 277 T HN 0.530 nan 8.240 nan 0.000 0.466 278 Y N 4.254 124.336 120.300 -0.362 0.000 2.069 278 Y HA -0.184 4.366 4.550 0.000 0.000 0.278 278 Y C 2.681 178.460 175.900 -0.201 0.000 1.175 278 Y CA 2.543 60.237 58.100 -0.676 0.000 1.134 278 Y CB -0.157 37.828 38.460 -0.792 0.000 0.965 278 Y HN 0.747 nan 8.280 nan 0.000 0.498 279 R N -0.260 120.181 120.500 -0.098 0.000 2.117 279 R HA -0.223 4.117 4.340 0.000 0.000 0.243 279 R C 2.160 178.398 176.300 -0.103 0.000 1.143 279 R CA 1.877 57.913 56.100 -0.105 0.000 0.968 279 R CB -0.599 29.695 30.300 -0.010 0.000 0.863 279 R HN 0.492 nan 8.270 nan 0.000 0.444 280 L N 0.400 121.602 121.223 -0.035 0.000 2.131 280 L HA -0.032 4.308 4.340 0.000 0.000 0.206 280 L C 1.836 178.700 176.870 -0.011 0.000 1.087 280 L CA 1.914 56.755 54.840 0.002 0.000 0.767 280 L CB -0.518 41.575 42.059 0.056 0.000 0.917 280 L HN 0.094 nan 8.230 nan 0.000 0.441 281 T N -0.581 113.966 114.554 -0.013 0.000 2.759 281 T HA -0.221 4.129 4.350 0.000 0.000 0.269 281 T C 1.805 176.443 174.700 -0.103 0.000 1.042 281 T CA 1.779 63.882 62.100 0.006 0.000 1.140 281 T CB -0.192 68.732 68.868 0.093 0.000 0.864 281 T HN 0.487 nan 8.240 nan 0.000 0.455 282 Q N 0.289 119.945 119.800 -0.239 0.000 2.046 282 Q HA -0.016 4.324 4.340 0.000 0.000 0.200 282 Q C 2.822 178.754 176.000 -0.114 0.000 0.975 282 Q CA 1.320 56.992 55.803 -0.217 0.000 0.836 282 Q CB -0.588 27.979 28.738 -0.285 0.000 0.896 282 Q HN 0.602 nan 8.270 nan 0.000 0.428 283 G N 0.837 109.584 108.800 -0.087 0.000 2.553 283 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 283 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 283 G C 1.539 176.416 174.900 -0.038 0.000 1.195 283 G CA 1.480 46.550 45.100 -0.049 0.000 0.779 283 G HN 0.240 nan 8.290 nan 0.000 0.577 284 V N 0.410 120.314 119.914 -0.017 0.000 2.255 284 V HA -0.205 3.915 4.120 0.000 0.000 0.247 284 V C 3.042 179.115 176.094 -0.035 0.000 1.051 284 V CA 1.737 64.033 62.300 -0.006 0.000 1.018 284 V CB -0.813 31.039 31.823 0.048 0.000 0.641 284 V HN 0.253 nan 8.190 nan 0.000 0.445 285 V N -0.283 119.608 119.914 -0.037 0.000 2.261 285 V HA -0.252 3.868 4.120 0.000 0.000 0.246 285 V C 2.257 178.307 176.094 -0.074 0.000 1.047 285 V CA 2.113 64.379 62.300 -0.056 0.000 1.015 285 V CB -0.646 31.145 31.823 -0.054 0.000 0.642 285 V HN 0.517 nan 8.190 nan 0.000 0.446 286 K N -0.748 119.608 120.400 -0.074 0.000 2.444 286 K HA 0.124 4.444 4.320 0.000 0.000 0.193 286 K C 0.095 176.654 176.600 -0.068 0.000 1.024 286 K CA -0.206 56.037 56.287 -0.073 0.000 1.077 286 K CB 0.220 32.677 32.500 -0.072 0.000 0.833 286 K HN 0.164 nan 8.250 nan 0.000 0.517 287 R N 1.176 121.636 120.500 -0.067 0.000 3.205 287 R HA -0.174 4.166 4.340 0.000 0.000 0.249 287 R C -0.450 175.819 176.300 -0.053 0.000 0.937 287 R CA 0.600 56.662 56.100 -0.064 0.000 0.641 287 R CB -2.613 27.643 30.300 -0.073 0.000 1.114 287 R HN 0.325 nan 8.270 nan 0.000 0.451 288 I N 1.171 121.712 120.570 -0.047 0.000 2.696 288 I HA 0.163 4.333 4.170 0.000 0.000 0.284 288 I C 1.321 177.419 176.117 -0.032 0.000 1.129 288 I CA 0.026 61.301 61.300 -0.042 0.000 1.410 288 I CB 0.558 38.531 38.000 -0.044 0.000 1.399 288 I HN 0.070 nan 8.210 nan 0.000 0.579 289 I N 6.048 126.598 120.570 -0.032 0.000 2.382 289 I HA 0.305 4.475 4.170 0.000 0.000 0.285 289 I C -2.189 173.907 176.117 -0.037 0.000 1.007 289 I CA -1.925 59.359 61.300 -0.026 0.000 1.142 289 I CB 1.238 39.224 38.000 -0.024 0.000 1.289 289 I HN 0.323 nan 8.210 nan 0.000 0.453 290 P HA 0.263 nan 4.420 nan 0.000 0.264 290 P C -0.718 176.526 177.300 -0.094 0.000 1.183 290 P CA 0.022 63.089 63.100 -0.055 0.000 0.763 290 P CB 0.676 32.352 31.700 -0.039 0.000 0.807 291 A N 1.854 124.606 122.820 -0.114 0.000 2.612 291 A HA 0.728 5.048 4.320 0.000 0.000 0.293 291 A C -0.879 176.612 177.584 -0.156 0.000 1.075 291 A CA -0.426 51.522 52.037 -0.148 0.000 0.680 291 A CB 1.422 20.361 19.000 -0.102 0.000 1.279 291 A HN 0.491 nan 8.150 nan 0.000 0.411 292 V N -2.275 117.527 119.914 -0.187 0.000 3.206 292 V HA 0.871 4.991 4.120 0.000 0.000 0.305 292 V C 0.978 177.010 176.094 -0.102 0.000 1.257 292 V CA 0.002 62.218 62.300 -0.140 0.000 1.057 292 V CB 0.903 32.621 31.823 -0.176 0.000 1.075 292 V HN 2.244 nan 8.190 nan 0.000 0.443 293 A N 1.158 123.944 122.820 -0.055 0.000 1.849 293 A HA -0.093 4.227 4.320 0.000 0.000 0.217 293 A C 2.247 179.805 177.584 -0.043 0.000 1.202 293 A CA 3.180 55.195 52.037 -0.036 0.000 0.629 293 A CB -1.488 17.503 19.000 -0.015 0.000 0.834 293 A HN 1.587 nan 8.150 nan 0.000 0.447 294 S N -0.414 115.277 115.700 -0.014 0.000 2.411 294 S HA -0.357 4.113 4.470 0.000 0.000 0.293 294 S C 1.916 176.505 174.600 -0.019 0.000 1.146 294 S CA 2.499 60.714 58.200 0.026 0.000 1.337 294 S CB -1.641 61.639 63.200 0.134 0.000 1.258 294 S HN 0.717 nan 8.310 nan 0.000 0.453 295 T N 3.213 117.756 114.554 -0.018 0.000 2.580 295 T HA -0.158 4.192 4.350 0.000 0.000 0.265 295 T C 1.810 176.412 174.700 -0.164 0.000 1.063 295 T CA 1.569 63.623 62.100 -0.077 0.000 1.170 295 T CB -0.797 68.049 68.868 -0.037 0.000 0.863 295 T HN 0.333 nan 8.240 nan 0.000 0.418 296 N N 1.483 120.112 118.700 -0.120 0.000 2.060 296 N HA -0.164 4.576 4.740 0.000 0.000 0.195 296 N C 2.157 177.589 175.510 -0.130 0.000 1.028 296 N CA 1.592 54.572 53.050 -0.117 0.000 0.861 296 N CB -0.798 37.638 38.487 -0.086 0.000 1.029 296 N HN 0.457 nan 8.380 nan 0.000 0.428 297 A N 1.155 123.908 122.820 -0.112 0.000 1.884 297 A HA -0.191 4.129 4.320 0.000 0.000 0.219 297 A C 2.597 180.080 177.584 -0.168 0.000 1.197 297 A CA 2.190 54.158 52.037 -0.115 0.000 0.637 297 A CB -1.097 17.842 19.000 -0.102 0.000 0.827 297 A HN 0.127 nan 8.150 nan 0.000 0.450 298 V N 0.529 120.294 119.914 -0.249 0.000 2.214 298 V HA -0.306 3.814 4.120 0.000 0.000 0.245 298 V C 2.464 178.359 176.094 -0.333 0.000 1.047 298 V CA 2.042 64.119 62.300 -0.371 0.000 0.998 298 V CB -0.808 30.551 31.823 -0.774 0.000 0.633 298 V HN 0.544 nan 8.190 nan 0.000 0.446 299 I N 0.540 120.898 120.570 -0.353 0.000 2.087 299 I HA -0.341 3.829 4.170 0.000 0.000 0.240 299 I C 2.771 178.777 176.117 -0.186 0.000 1.054 299 I CA 2.390 63.539 61.300 -0.251 0.000 1.311 299 I CB -1.784 36.096 38.000 -0.199 0.000 1.024 299 I HN 0.382 nan 8.210 nan 0.000 0.402 300 A N 0.833 123.558 122.820 -0.159 0.000 1.903 300 A HA -0.237 4.083 4.320 0.000 0.000 0.219 300 A C 2.515 180.023 177.584 -0.126 0.000 1.191 300 A CA 2.723 54.683 52.037 -0.129 0.000 0.638 300 A CB -1.035 17.902 19.000 -0.105 0.000 0.823 300 A HN 0.502 nan 8.150 nan 0.000 0.451 301 A N -1.031 121.709 122.820 -0.134 0.000 2.076 301 A HA 0.076 4.396 4.320 0.000 0.000 0.220 301 A C 2.183 179.693 177.584 -0.124 0.000 1.160 301 A CA 1.757 53.719 52.037 -0.124 0.000 0.653 301 A CB -0.660 18.263 19.000 -0.128 0.000 0.801 301 A HN 0.379 nan 8.150 nan 0.000 0.455 302 V N -0.887 118.944 119.914 -0.138 0.000 2.256 302 V HA -0.262 3.858 4.120 0.000 0.000 0.240 302 V C 2.627 178.654 176.094 -0.112 0.000 1.036 302 V CA 1.885 64.109 62.300 -0.127 0.000 1.008 302 V CB -1.135 30.602 31.823 -0.143 0.000 0.648 302 V HN 0.706 nan 8.190 nan 0.000 0.453 303 C N 0.795 120.021 119.300 -0.123 0.000 2.391 303 C HA -0.219 4.241 4.460 0.000 0.000 0.276 303 C C 3.051 177.983 174.990 -0.097 0.000 1.217 303 C CA 0.749 59.699 59.018 -0.113 0.000 1.766 303 C CB -1.675 25.992 27.740 -0.122 0.000 2.046 303 C HN 0.647 nan 8.230 nan 0.000 0.475 304 A N 0.926 123.684 122.820 -0.103 0.000 1.859 304 A HA -0.284 4.036 4.320 0.000 0.000 0.218 304 A C 2.197 179.757 177.584 -0.039 0.000 1.209 304 A CA 3.114 55.092 52.037 -0.098 0.000 0.639 304 A CB -1.554 17.387 19.000 -0.097 0.000 0.835 304 A HN 0.564 nan 8.150 nan 0.000 0.450 305 T N -0.523 114.009 114.554 -0.036 0.000 2.624 305 T HA -0.209 4.141 4.350 0.000 0.000 0.268 305 T C 1.878 176.634 174.700 0.093 0.000 1.041 305 T CA 1.941 64.052 62.100 0.017 0.000 1.159 305 T CB -0.418 68.417 68.868 -0.055 0.000 0.863 305 T HN 0.527 nan 8.240 nan 0.000 0.434 306 E N 0.469 120.679 120.200 0.018 0.000 2.065 306 E HA -0.119 4.231 4.350 0.000 0.000 0.201 306 E C 2.280 178.907 176.600 0.045 0.000 1.016 306 E CA 0.867 57.278 56.400 0.017 0.000 0.818 306 E CB -0.875 28.803 29.700 -0.036 0.000 0.749 306 E HN 0.285 nan 8.360 nan 0.000 0.453 307 V N 0.497 120.423 119.914 0.021 0.000 2.231 307 V HA -0.281 3.839 4.120 0.000 0.000 0.248 307 V C 2.140 178.338 176.094 0.175 0.000 1.054 307 V CA 2.133 64.449 62.300 0.026 0.000 1.015 307 V CB -0.673 31.078 31.823 -0.120 0.000 0.638 307 V HN 0.321 nan 8.190 nan 0.000 0.444 308 F N 0.836 120.864 119.950 0.130 0.000 2.154 308 F HA -0.233 4.294 4.527 0.000 0.000 0.301 308 F C 2.306 178.216 175.800 0.184 0.000 1.087 308 F CA 1.983 60.159 58.000 0.294 0.000 1.274 308 F CB -0.241 38.885 39.000 0.209 0.000 1.009 308 F HN 0.056 nan 8.300 nan 0.000 0.485 309 K N 0.420 120.916 120.400 0.160 0.000 1.973 309 K HA -0.137 4.183 4.320 0.000 0.000 0.210 309 K C 2.140 178.715 176.600 -0.042 0.000 1.045 309 K CA 1.991 58.321 56.287 0.070 0.000 0.937 309 K CB -0.475 32.105 32.500 0.134 0.000 0.721 309 K HN 0.281 nan 8.250 nan 0.000 0.438 310 I N 1.267 121.830 120.570 -0.012 0.000 2.145 310 I HA -0.359 3.811 4.170 0.000 0.000 0.244 310 I C 2.542 178.633 176.117 -0.043 0.000 1.075 310 I CA 1.528 62.804 61.300 -0.039 0.000 1.332 310 I CB -0.481 37.514 38.000 -0.008 0.000 1.033 310 I HN 0.239 nan 8.210 nan 0.000 0.410 311 A N 0.452 123.271 122.820 -0.001 0.000 1.898 311 A HA -0.207 4.113 4.320 0.000 0.000 0.216 311 A C 2.367 179.868 177.584 -0.139 0.000 1.181 311 A CA 2.445 54.476 52.037 -0.010 0.000 0.620 311 A CB -0.959 18.137 19.000 0.161 0.000 0.819 311 A HN 0.560 nan 8.150 nan 0.000 0.442 312 T N -5.236 109.149 114.554 -0.282 0.000 3.037 312 T HA 0.185 4.535 4.350 0.000 0.000 0.252 312 T C 0.743 175.410 174.700 -0.055 0.000 1.073 312 T CA 0.961 62.898 62.100 -0.271 0.000 1.091 312 T CB -0.154 68.365 68.868 -0.580 0.000 0.935 312 T HN 0.669 nan 8.240 nan 0.000 0.488 313 S N 0.490 116.159 115.700 -0.051 0.000 3.698 313 S HA -0.153 4.317 4.470 0.000 0.000 0.338 313 S C 1.006 175.730 174.600 0.207 0.000 1.089 313 S CA 0.380 58.617 58.200 0.061 0.000 0.991 313 S CB -1.894 61.395 63.200 0.147 0.000 0.909 313 S HN 1.076 nan 8.310 nan 0.000 0.485 314 A N -1.065 121.791 122.820 0.059 0.000 2.275 314 A HA 0.580 4.900 4.320 0.000 0.000 0.212 314 A C 0.274 177.546 177.584 -0.520 0.000 1.201 314 A CA 0.671 52.580 52.037 -0.213 0.000 0.843 314 A CB 0.229 19.265 19.000 0.061 0.000 0.873 314 A HN 0.652 nan 8.150 nan 0.000 0.492 315 Y N -2.361 117.973 120.300 0.057 0.000 2.713 315 Y HA 0.429 4.979 4.550 0.000 0.000 0.335 315 Y C -0.927 175.022 175.900 0.081 0.000 1.222 315 Y CA -1.411 56.742 58.100 0.088 0.000 1.061 315 Y CB 0.928 39.444 38.460 0.093 0.000 1.314 315 Y HN 0.011 nan 8.280 nan 0.000 0.453 316 I N 2.145 122.897 120.570 0.302 0.000 2.396 316 I HA 0.346 4.516 4.170 0.000 0.000 0.289 316 I C -2.530 173.650 176.117 0.105 0.000 1.056 316 I CA -2.059 59.349 61.300 0.181 0.000 1.365 316 I CB -0.339 37.783 38.000 0.204 0.000 1.407 316 I HN 0.168 nan 8.210 nan 0.000 0.509 317 P HA 0.047 nan 4.420 nan 0.000 0.264 317 P C 0.002 177.306 177.300 0.007 0.000 1.183 317 P CA -0.380 62.722 63.100 0.004 0.000 0.763 317 P CB 0.446 32.125 31.700 -0.035 0.000 0.807 318 L N 3.140 124.355 121.223 -0.013 0.000 2.536 318 L HA -0.026 4.314 4.340 0.000 0.000 0.294 318 L C 0.576 177.425 176.870 -0.035 0.000 1.257 318 L CA 0.440 55.260 54.840 -0.034 0.000 0.850 318 L CB 0.232 42.248 42.059 -0.071 0.000 1.105 318 L HN 0.300 nan 8.230 nan 0.000 0.517 319 N N 3.013 121.689 118.700 -0.040 0.000 2.868 319 N HA 0.050 4.790 4.740 0.000 0.000 0.252 319 N C 0.036 175.507 175.510 -0.065 0.000 1.130 319 N CA 0.537 53.569 53.050 -0.030 0.000 1.026 319 N CB -0.457 38.028 38.487 -0.003 0.000 1.335 319 N HN 0.765 nan 8.380 nan 0.000 0.516 320 N N 0.523 119.187 118.700 -0.060 0.000 2.628 320 N HA -0.297 4.443 4.740 0.000 0.000 0.247 320 N C -0.982 174.478 175.510 -0.084 0.000 1.157 320 N CA 1.298 54.312 53.050 -0.060 0.000 0.729 320 N CB -1.731 36.758 38.487 0.003 0.000 1.083 320 N HN 0.532 nan 8.380 nan 0.000 0.554 321 Y N -2.261 117.810 120.300 -0.382 0.000 2.721 321 Y HA 0.502 5.052 4.550 0.000 0.000 0.357 321 Y C -1.816 173.768 175.900 -0.527 0.000 1.183 321 Y CA -1.253 56.503 58.100 -0.574 0.000 1.231 321 Y CB 0.877 38.646 38.460 -1.153 0.000 1.390 321 Y HN 0.337 nan 8.280 nan 0.000 0.488 322 L N 3.971 124.989 121.223 -0.342 0.000 2.735 322 L HA 0.761 5.101 4.340 0.000 0.000 0.258 322 L C -2.236 174.589 176.870 -0.073 0.000 0.920 322 L CA -0.655 54.083 54.840 -0.170 0.000 0.958 322 L CB 1.499 43.451 42.059 -0.178 0.000 1.499 322 L HN 0.309 nan 8.230 nan 0.000 0.441 323 V N 4.229 124.174 119.914 0.052 0.000 2.715 323 V HA 0.651 4.771 4.120 0.000 0.000 0.310 323 V C -0.765 175.367 176.094 0.062 0.000 1.054 323 V CA -0.510 61.851 62.300 0.100 0.000 0.928 323 V CB 1.754 33.682 31.823 0.175 0.000 1.007 323 V HN 0.730 nan 8.190 nan 0.000 0.437 324 F N 2.987 122.903 119.950 -0.057 0.000 2.563 324 F HA 0.659 5.186 4.527 0.000 0.000 0.316 324 F C -0.408 175.408 175.800 0.026 0.000 1.076 324 F CA -0.414 57.559 58.000 -0.045 0.000 0.921 324 F CB 1.959 40.944 39.000 -0.024 0.000 1.209 324 F HN 0.573 nan 8.300 nan 0.000 0.462 325 N N 4.024 122.289 118.700 -0.726 0.000 2.503 325 N HA 0.151 4.891 4.740 0.000 0.000 0.287 325 N C -0.901 174.338 175.510 -0.452 0.000 1.096 325 N CA -0.440 52.412 53.050 -0.331 0.000 0.936 325 N CB 1.277 39.755 38.487 -0.016 0.000 1.570 325 N HN 0.653 nan 8.380 nan 0.000 0.504 326 D N 1.901 122.194 120.400 -0.179 0.000 2.327 326 D HA -0.025 4.615 4.640 0.000 0.000 0.205 326 D C 2.129 178.289 176.300 -0.234 0.000 0.989 326 D CA 0.777 54.696 54.000 -0.135 0.000 0.873 326 D CB 0.561 41.458 40.800 0.161 0.000 0.955 326 D HN 0.450 nan 8.370 nan 0.000 0.515 327 V N -0.405 119.390 119.914 -0.198 0.000 2.278 327 V HA -0.157 3.963 4.120 0.000 0.000 0.251 327 V C 0.995 176.987 176.094 -0.169 0.000 1.062 327 V CA 1.486 63.648 62.300 -0.230 0.000 1.038 327 V CB -0.354 31.415 31.823 -0.090 0.000 0.646 327 V HN -0.019 nan 8.190 nan 0.000 0.447 328 D N 0.399 120.731 120.400 -0.115 0.000 2.446 328 D HA 0.475 5.115 4.640 0.000 0.000 0.251 328 D C 0.650 176.894 176.300 -0.093 0.000 1.137 328 D CA 1.007 54.949 54.000 -0.098 0.000 0.890 328 D CB 0.700 41.451 40.800 -0.082 0.000 1.071 328 D HN 0.634 nan 8.370 nan 0.000 0.528 329 G N 2.563 111.308 108.800 -0.092 0.000 2.601 329 G HA2 -0.246 3.714 3.960 0.000 0.000 0.261 329 G HA3 -0.246 3.714 3.960 0.000 0.000 0.261 329 G C -0.515 174.335 174.900 -0.083 0.000 1.289 329 G CA -0.231 44.826 45.100 -0.071 0.000 0.920 329 G HN 0.532 nan 8.290 nan 0.000 0.571 330 L N -0.227 120.964 121.223 -0.055 0.000 2.322 330 L HA 0.690 5.030 4.340 0.000 0.000 0.281 330 L C -0.587 176.279 176.870 -0.006 0.000 1.014 330 L CA -0.932 53.853 54.840 -0.092 0.000 0.815 330 L CB 1.897 43.946 42.059 -0.017 0.000 1.247 330 L HN 0.704 nan 8.230 nan 0.000 0.421 331 Y N 2.345 122.476 120.300 -0.281 0.000 2.470 331 Y HA 0.554 5.104 4.550 0.000 0.000 0.341 331 Y C -0.818 175.006 175.900 -0.127 0.000 1.021 331 Y CA -1.340 56.668 58.100 -0.152 0.000 1.025 331 Y CB 2.221 40.609 38.460 -0.120 0.000 1.266 331 Y HN 0.543 nan 8.280 nan 0.000 0.448 332 T N 3.549 117.942 114.554 -0.268 0.000 3.176 332 T HA 0.244 4.594 4.350 0.000 0.000 0.337 332 T C -1.557 173.039 174.700 -0.173 0.000 0.957 332 T CA -0.525 61.414 62.100 -0.268 0.000 1.092 332 T CB -0.186 68.697 68.868 0.024 0.000 1.018 332 T HN 0.549 nan 8.240 nan 0.000 0.473 333 Y N 3.150 123.165 120.300 -0.476 0.000 2.359 333 Y HA 0.534 5.084 4.550 0.000 0.000 0.330 333 Y C -0.228 175.687 175.900 0.025 0.000 1.143 333 Y CA -0.360 57.670 58.100 -0.116 0.000 1.318 333 Y CB 0.917 39.363 38.460 -0.024 0.000 1.234 333 Y HN 0.724 nan 8.280 nan 0.000 0.522 334 T N 9.269 123.632 114.554 -0.318 0.000 2.833 334 T HA 0.479 4.829 4.350 0.000 0.000 0.297 334 T C -1.101 173.291 174.700 -0.513 0.000 1.015 334 T CA -0.392 61.491 62.100 -0.361 0.000 0.963 334 T CB -0.176 68.611 68.868 -0.136 0.000 0.955 334 T HN 0.480 nan 8.240 nan 0.000 0.449 335 F N 0.014 119.618 119.950 -0.578 0.000 2.640 335 F HA 0.736 5.263 4.527 0.000 0.000 0.324 335 F C -0.211 175.498 175.800 -0.153 0.000 1.077 335 F CA -1.647 56.097 58.000 -0.425 0.000 0.965 335 F CB 1.480 40.136 39.000 -0.574 0.000 1.351 335 F HN 0.376 nan 8.300 nan 0.000 0.487 336 E N 1.954 122.322 120.200 0.281 0.000 2.167 336 E HA 0.523 4.873 4.350 0.000 0.000 0.247 336 E C -0.508 176.292 176.600 0.332 0.000 0.961 336 E CA -0.761 55.749 56.400 0.183 0.000 0.797 336 E CB 0.647 30.416 29.700 0.114 0.000 1.182 336 E HN 0.974 nan 8.360 nan 0.000 0.437 337 A N 4.284 127.341 122.820 0.394 0.000 2.561 337 A HA -0.018 4.302 4.320 0.000 0.000 0.234 337 A C 0.328 178.011 177.584 0.166 0.000 1.055 337 A CA 0.208 52.472 52.037 0.379 0.000 0.756 337 A CB 0.295 19.484 19.000 0.315 0.000 0.986 337 A HN 0.643 nan 8.150 nan 0.000 0.505 338 E N 0.866 121.130 120.200 0.106 0.000 2.331 338 E HA 0.134 4.484 4.350 0.000 0.000 0.272 338 E C 0.152 176.787 176.600 0.060 0.000 1.036 338 E CA -0.416 56.024 56.400 0.067 0.000 0.864 338 E CB 1.016 30.740 29.700 0.040 0.000 1.035 338 E HN 0.605 nan 8.360 nan 0.000 0.408 339 R N 3.287 123.819 120.500 0.053 0.000 2.248 339 R HA 0.056 4.396 4.340 0.000 0.000 0.337 339 R C -0.224 176.101 176.300 0.041 0.000 1.085 339 R CA -0.315 55.814 56.100 0.048 0.000 0.934 339 R CB 0.158 30.486 30.300 0.046 0.000 1.034 339 R HN 0.255 nan 8.270 nan 0.000 0.465 340 K N 3.535 123.958 120.400 0.039 0.000 2.440 340 K HA -0.116 4.204 4.320 0.000 0.000 0.275 340 K C 0.344 176.964 176.600 0.035 0.000 1.082 340 K CA 0.626 56.934 56.287 0.035 0.000 1.135 340 K CB 0.509 33.029 32.500 0.033 0.000 0.864 340 K HN 0.667 nan 8.250 nan 0.000 0.479 341 E N 1.672 121.891 120.200 0.033 0.000 2.515 341 E HA -0.168 4.182 4.350 0.000 0.000 0.201 341 E C 0.449 177.069 176.600 0.034 0.000 1.071 341 E CA 0.740 57.159 56.400 0.031 0.000 0.880 341 E CB -0.166 29.550 29.700 0.027 0.000 0.828 341 E HN 0.609 nan 8.360 nan 0.000 0.540 342 N N -0.778 117.944 118.700 0.038 0.000 2.377 342 N HA 0.095 4.835 4.740 0.000 0.000 0.259 342 N C -0.388 175.146 175.510 0.039 0.000 1.332 342 N CA -0.577 52.499 53.050 0.043 0.000 0.877 342 N CB 0.303 38.822 38.487 0.053 0.000 1.299 342 N HN -0.100 nan 8.380 nan 0.000 0.501 343 C N 2.321 121.642 119.300 0.034 0.000 2.592 343 C HA 0.091 4.551 4.460 0.000 0.000 0.408 343 C C -0.608 174.395 174.990 0.022 0.000 1.436 343 C CA -0.906 58.129 59.018 0.028 0.000 1.595 343 C CB 0.301 28.059 27.740 0.030 0.000 2.487 343 C HN 0.448 nan 8.230 nan 0.000 0.610 344 P HA -0.130 nan 4.420 nan 0.000 0.219 344 P C 0.948 178.248 177.300 -0.001 0.000 1.144 344 P CA 2.311 65.412 63.100 0.002 0.000 0.806 344 P CB 0.204 31.890 31.700 -0.022 0.000 0.771 345 A N -0.898 121.922 122.820 -0.001 0.000 2.010 345 A HA -0.012 4.308 4.320 0.000 0.000 0.210 345 A C 1.898 179.484 177.584 0.003 0.000 1.479 345 A CA 0.772 52.802 52.037 -0.011 0.000 0.748 345 A CB -1.010 17.975 19.000 -0.025 0.000 1.125 345 A HN 0.352 nan 8.150 nan 0.000 0.522 346 C N 1.896 121.205 119.300 0.015 0.000 2.460 346 C HA 0.428 4.888 4.460 0.000 0.000 0.322 346 C C 1.100 176.128 174.990 0.063 0.000 1.333 346 C CA -0.394 58.645 59.018 0.035 0.000 1.631 346 C CB -2.674 25.086 27.740 0.034 0.000 1.672 346 C HN 0.464 nan 8.230 nan 0.000 0.596 347 S N 0.295 116.028 115.700 0.056 0.000 2.405 347 S HA 0.152 4.622 4.470 0.000 0.000 0.291 347 S C 1.195 175.847 174.600 0.086 0.000 1.137 347 S CA -0.136 58.100 58.200 0.060 0.000 1.061 347 S CB 0.726 63.953 63.200 0.045 0.000 1.001 347 S HN 0.629 nan 8.310 nan 0.000 0.507 348 Q N 2.690 122.544 119.800 0.091 0.000 2.103 348 Q HA -0.178 4.162 4.340 0.000 0.000 0.213 348 Q C 0.519 176.559 176.000 0.067 0.000 1.008 348 Q CA 1.764 57.620 55.803 0.088 0.000 0.879 348 Q CB -0.316 28.361 28.738 -0.102 0.000 0.946 348 Q HN 0.840 nan 8.270 nan 0.000 0.413 349 L N -0.180 121.059 121.223 0.027 0.000 2.440 349 L HA 0.328 4.668 4.340 0.000 0.000 0.262 349 L C -1.933 174.960 176.870 0.038 0.000 1.072 349 L CA -2.195 52.660 54.840 0.026 0.000 0.798 349 L CB 0.170 42.233 42.059 0.007 0.000 1.307 349 L HN 0.015 nan 8.230 nan 0.000 0.475 350 P HA -0.015 nan 4.420 nan 0.000 0.274 350 P C -1.075 176.252 177.300 0.044 0.000 1.264 350 P CA -0.326 62.797 63.100 0.038 0.000 0.795 350 P CB 0.323 32.044 31.700 0.034 0.000 1.064 351 Q N 1.048 120.880 119.800 0.053 0.000 2.835 351 Q HA 0.122 4.462 4.340 0.000 0.000 0.235 351 Q C -0.499 175.550 176.000 0.082 0.000 1.313 351 Q CA -0.102 55.742 55.803 0.069 0.000 1.053 351 Q CB -1.660 27.126 28.738 0.080 0.000 1.443 351 Q HN 0.164 nan 8.270 nan 0.000 0.576 352 N N 3.728 122.468 118.700 0.066 0.000 2.416 352 N HA 0.003 4.743 4.740 0.000 0.000 0.291 352 N C -1.189 174.371 175.510 0.083 0.000 1.257 352 N CA 0.422 53.508 53.050 0.060 0.000 1.043 352 N CB -0.002 38.509 38.487 0.040 0.000 1.441 352 N HN 0.418 nan 8.380 nan 0.000 0.490 353 I N 2.502 123.139 120.570 0.113 0.000 2.560 353 I HA 0.099 4.269 4.170 0.000 0.000 0.283 353 I C -0.524 175.697 176.117 0.173 0.000 1.115 353 I CA -0.410 60.994 61.300 0.173 0.000 1.066 353 I CB 1.586 39.750 38.000 0.273 0.000 1.221 353 I HN 0.397 nan 8.210 nan 0.000 0.450 354 Q N 5.083 124.904 119.800 0.036 0.000 2.314 354 Q HA 0.339 4.679 4.340 0.000 0.000 0.257 354 Q C -0.975 174.869 176.000 -0.260 0.000 0.975 354 Q CA -0.175 55.595 55.803 -0.056 0.000 0.933 354 Q CB 1.309 29.974 28.738 -0.121 0.000 1.195 354 Q HN 0.335 nan 8.270 nan 0.000 0.426 355 F N 2.592 122.439 119.950 -0.172 0.000 2.387 355 F HA 0.179 4.706 4.527 0.000 0.000 0.332 355 F C -0.041 175.680 175.800 -0.132 0.000 1.174 355 F CA 0.052 57.913 58.000 -0.231 0.000 1.257 355 F CB 0.085 38.791 39.000 -0.491 0.000 1.569 355 F HN 0.609 nan 8.300 nan 0.000 0.554 356 S N 1.258 116.815 115.700 -0.238 0.000 3.721 356 S HA 0.111 4.581 4.470 0.000 0.000 0.632 356 S C -3.434 171.109 174.600 -0.095 0.000 0.694 356 S CA -1.352 56.763 58.200 -0.142 0.000 1.112 356 S CB -0.436 62.729 63.200 -0.059 0.000 0.915 356 S HN 0.236 nan 8.310 nan 0.000 0.456 357 P HA 0.575 nan 4.420 nan 0.000 0.172 357 P C -0.026 177.255 177.300 -0.032 0.000 1.796 357 P CA 0.406 63.478 63.100 -0.048 0.000 1.494 357 P CB 0.684 32.349 31.700 -0.059 0.000 1.425 358 S N 1.426 117.116 115.700 -0.018 0.000 1.235 358 S HA -0.091 4.379 4.470 0.000 0.000 0.253 358 S C 0.489 175.088 174.600 -0.002 0.000 0.613 358 S CA 0.247 58.441 58.200 -0.009 0.000 0.987 358 S CB -2.101 61.091 63.200 -0.012 0.000 0.951 358 S HN 0.659 nan 8.310 nan 0.000 0.486 359 A N 3.875 126.692 122.820 -0.005 0.000 2.450 359 A HA 0.615 4.935 4.320 0.000 0.000 0.255 359 A C 0.656 178.249 177.584 0.016 0.000 1.096 359 A CA 0.108 52.150 52.037 0.007 0.000 0.778 359 A CB 0.220 19.222 19.000 0.004 0.000 1.031 359 A HN 0.667 nan 8.150 nan 0.000 0.494 360 K N 1.231 121.647 120.400 0.028 0.000 2.863 360 K HA 0.263 4.583 4.320 0.000 0.000 0.315 360 K C 0.362 176.993 176.600 0.051 0.000 1.051 360 K CA -0.016 56.294 56.287 0.037 0.000 1.028 360 K CB -0.036 32.489 32.500 0.041 0.000 1.129 360 K HN 0.592 nan 8.250 nan 0.000 0.459 361 L N 0.563 121.823 121.223 0.062 0.000 2.728 361 L HA 0.126 4.466 4.340 0.000 0.000 0.238 361 L C 1.507 178.436 176.870 0.098 0.000 1.143 361 L CA 0.072 54.958 54.840 0.077 0.000 0.937 361 L CB -0.090 42.014 42.059 0.075 0.000 1.225 361 L HN 0.451 nan 8.230 nan 0.000 0.507 362 Q N 0.480 120.338 119.800 0.096 0.000 2.398 362 Q HA -0.038 4.302 4.340 0.000 0.000 0.204 362 Q C 0.823 176.885 176.000 0.103 0.000 0.932 362 Q CA 0.598 56.466 55.803 0.108 0.000 0.916 362 Q CB 0.105 28.896 28.738 0.087 0.000 1.024 362 Q HN 0.479 nan 8.270 nan 0.000 0.504 363 E N 0.481 120.739 120.200 0.097 0.000 2.437 363 E HA -0.017 4.333 4.350 0.000 0.000 0.189 363 E C 0.979 177.659 176.600 0.134 0.000 1.054 363 E CA 0.208 56.672 56.400 0.107 0.000 0.874 363 E CB 0.605 30.357 29.700 0.087 0.000 1.011 363 E HN 0.208 nan 8.360 nan 0.000 0.474 364 V N -1.765 118.227 119.914 0.131 0.000 3.612 364 V HA 0.123 4.243 4.120 0.000 0.000 0.268 364 V C 1.612 177.789 176.094 0.139 0.000 1.365 364 V CA -0.112 62.283 62.300 0.159 0.000 1.044 364 V CB 0.064 31.956 31.823 0.116 0.000 0.820 364 V HN 0.132 nan 8.190 nan 0.000 0.444 365 L N 0.761 122.042 121.223 0.097 0.000 2.130 365 L HA 0.178 4.519 4.340 0.000 0.000 0.200 365 L C 2.144 179.050 176.870 0.061 0.000 1.075 365 L CA 1.916 56.786 54.840 0.050 0.000 0.768 365 L CB -0.494 41.600 42.059 0.058 0.000 0.933 365 L HN 0.159 nan 8.230 nan 0.000 0.451 366 D N -1.300 119.154 120.400 0.090 0.000 2.265 366 D HA -0.250 4.390 4.640 0.000 0.000 0.208 366 D C 1.797 178.151 176.300 0.091 0.000 0.977 366 D CA 1.302 55.350 54.000 0.079 0.000 0.871 366 D CB 0.002 40.854 40.800 0.088 0.000 0.925 366 D HN 0.431 nan 8.370 nan 0.000 0.485 367 Y N 1.666 121.953 120.300 -0.022 0.000 2.130 367 Y HA -0.098 4.452 4.550 0.000 0.000 0.287 367 Y C 2.243 178.091 175.900 -0.087 0.000 1.124 367 Y CA 1.066 59.119 58.100 -0.079 0.000 1.118 367 Y CB -0.657 37.739 38.460 -0.106 0.000 0.994 367 Y HN -0.152 nan 8.280 nan 0.000 0.497 368 L N -0.593 120.493 121.223 -0.229 0.000 2.042 368 L HA -0.254 4.086 4.340 0.000 0.000 0.210 368 L C 2.263 179.001 176.870 -0.220 0.000 1.076 368 L CA 2.045 56.696 54.840 -0.315 0.000 0.749 368 L CB -1.060 40.921 42.059 -0.130 0.000 0.893 368 L HN 0.229 nan 8.230 nan 0.000 0.432 369 T N -0.745 113.740 114.554 -0.114 0.000 2.904 369 T HA -0.069 4.281 4.350 0.000 0.000 0.267 369 T C 1.602 176.257 174.700 -0.074 0.000 1.059 369 T CA 1.157 63.213 62.100 -0.073 0.000 1.137 369 T CB -0.069 68.785 68.868 -0.024 0.000 0.879 369 T HN 0.331 nan 8.240 nan 0.000 0.467 370 N N 0.375 119.027 118.700 -0.080 0.000 2.463 370 N HA 0.100 4.840 4.740 0.000 0.000 0.183 370 N C 0.711 176.167 175.510 -0.089 0.000 1.064 370 N CA 0.088 53.104 53.050 -0.057 0.000 0.879 370 N CB -0.055 38.426 38.487 -0.009 0.000 1.148 370 N HN 0.159 nan 8.380 nan 0.000 0.451 371 S N 1.431 117.027 115.700 -0.173 0.000 2.811 371 S HA 0.038 4.508 4.470 0.000 0.000 0.325 371 S C 1.303 175.812 174.600 -0.152 0.000 1.224 371 S CA -0.171 57.909 58.200 -0.201 0.000 1.125 371 S CB 0.077 62.957 63.200 -0.533 0.000 0.867 371 S HN 0.356 nan 8.310 nan 0.000 0.512 372 A N 4.219 126.996 122.820 -0.071 0.000 2.309 372 A HA -0.050 4.270 4.320 0.000 0.000 0.210 372 A C 1.918 179.476 177.584 -0.043 0.000 1.216 372 A CA 1.424 53.437 52.037 -0.040 0.000 0.731 372 A CB -0.624 18.371 19.000 -0.007 0.000 0.762 372 A HN 1.123 nan 8.150 nan 0.000 0.497 373 S N -2.140 113.508 115.700 -0.086 0.000 2.559 373 S HA 0.396 4.866 4.470 0.000 0.000 0.226 373 S C 1.092 175.632 174.600 -0.101 0.000 1.000 373 S CA 0.249 58.407 58.200 -0.071 0.000 0.948 373 S CB -0.097 63.069 63.200 -0.057 0.000 0.870 373 S HN 0.429 nan 8.310 nan 0.000 0.497 374 L N -0.536 120.594 121.223 -0.155 0.000 2.713 374 L HA 0.350 4.690 4.340 0.000 0.000 0.223 374 L C 0.909 177.711 176.870 -0.113 0.000 1.040 374 L CA -0.123 54.623 54.840 -0.156 0.000 0.894 374 L CB -0.758 41.139 42.059 -0.270 0.000 1.361 374 L HN 0.108 nan 8.230 nan 0.000 0.490 375 Q N 0.816 120.544 119.800 -0.120 0.000 2.397 375 Q HA -0.224 4.116 4.340 0.000 0.000 0.253 375 Q C 0.107 176.067 176.000 -0.067 0.000 1.026 375 Q CA 0.711 56.466 55.803 -0.079 0.000 1.066 375 Q CB -1.473 27.238 28.738 -0.045 0.000 1.553 375 Q HN 0.521 nan 8.270 nan 0.000 0.538 376 M N 0.462 120.013 119.600 -0.082 0.000 2.247 376 M HA 0.005 4.485 4.480 0.000 0.000 0.318 376 M C 0.490 176.765 176.300 -0.042 0.000 1.054 376 M CA 1.226 56.492 55.300 -0.058 0.000 1.117 376 M CB 0.205 32.764 32.600 -0.068 0.000 1.515 376 M HN 0.011 nan 8.290 nan 0.000 0.442 377 K N 1.004 121.389 120.400 -0.026 0.000 2.221 377 K HA 0.233 4.553 4.320 0.000 0.000 0.258 377 K C -0.161 176.433 176.600 -0.010 0.000 0.944 377 K CA -0.331 55.947 56.287 -0.015 0.000 0.823 377 K CB 1.190 33.684 32.500 -0.010 0.000 1.113 377 K HN 0.814 nan 8.250 nan 0.000 0.431 378 S N 2.166 117.865 115.700 -0.001 0.000 3.244 378 S HA -0.121 4.349 4.470 0.000 0.000 0.291 378 S C -2.377 172.216 174.600 -0.012 0.000 0.833 378 S CA -0.188 58.016 58.200 0.007 0.000 1.348 378 S CB -1.636 61.578 63.200 0.022 0.000 0.910 378 S HN 0.467 nan 8.310 nan 0.000 0.461 379 P HA 0.694 nan 4.420 nan 0.000 0.302 379 P C -0.274 176.967 177.300 -0.097 0.000 1.301 379 P CA -0.021 63.043 63.100 -0.059 0.000 0.745 379 P CB 0.352 32.010 31.700 -0.071 0.000 1.331 380 A N -0.349 122.405 122.820 -0.109 0.000 2.512 380 A HA 0.587 4.907 4.320 0.000 0.000 0.294 380 A C -1.160 176.354 177.584 -0.117 0.000 1.054 380 A CA -0.417 51.535 52.037 -0.142 0.000 0.756 380 A CB 0.443 19.398 19.000 -0.075 0.000 1.293 380 A HN 0.306 nan 8.150 nan 0.000 0.395 381 I N 1.811 122.290 120.570 -0.152 0.000 2.412 381 I HA 0.539 4.709 4.170 0.000 0.000 0.296 381 I C 0.106 176.194 176.117 -0.049 0.000 0.987 381 I CA -0.365 60.883 61.300 -0.086 0.000 1.180 381 I CB 2.230 40.179 38.000 -0.084 0.000 1.340 381 I HN 0.602 nan 8.210 nan 0.000 0.455 382 T N 4.235 118.776 114.554 -0.022 0.000 2.908 382 T HA 0.810 5.160 4.350 0.000 0.000 0.290 382 T C -0.377 174.326 174.700 0.005 0.000 1.034 382 T CA -0.505 61.592 62.100 -0.005 0.000 1.010 382 T CB 2.154 71.021 68.868 -0.001 0.000 1.068 382 T HN 0.755 nan 8.240 nan 0.000 0.481 383 A N 1.395 124.222 122.820 0.011 0.000 2.552 383 A HA 0.953 5.273 4.320 0.000 0.000 0.288 383 A C -0.433 177.160 177.584 0.015 0.000 1.193 383 A CA -0.710 51.336 52.037 0.015 0.000 0.713 383 A CB 1.474 20.485 19.000 0.019 0.000 1.305 383 A HN 0.712 nan 8.150 nan 0.000 0.424 390 R N 0.302 120.813 120.500 0.019 0.000 2.474 390 R HA 0.504 4.844 4.340 0.000 0.000 0.295 390 R C -0.079 176.236 176.300 0.026 0.000 0.980 390 R CA -0.484 55.630 56.100 0.023 0.000 0.934 390 R CB 1.249 31.564 30.300 0.026 0.000 1.101 390 R HN 0.112 nan 8.270 nan 0.000 0.469 391 T N 4.061 118.634 114.554 0.032 0.000 2.737 391 T HA 0.190 4.540 4.350 0.000 0.000 0.296 391 T C 0.487 175.220 174.700 0.056 0.000 0.922 391 T CA -0.305 61.817 62.100 0.036 0.000 1.079 391 T CB 0.272 69.165 68.868 0.041 0.000 0.892 391 T HN 0.261 nan 8.240 nan 0.000 0.514 392 L N 5.922 127.168 121.223 0.039 0.000 2.449 392 L HA 0.279 4.619 4.340 0.000 0.000 0.255 392 L C -0.003 176.892 176.870 0.041 0.000 1.167 392 L CA -1.050 53.830 54.840 0.068 0.000 1.090 392 L CB -0.757 41.319 42.059 0.028 0.000 1.385 392 L HN 0.847 nan 8.230 nan 0.000 0.411 393 Y N 1.536 121.848 120.300 0.019 0.000 2.533 393 Y HA -0.212 4.338 4.550 0.000 0.000 0.135 393 Y C -1.380 174.531 175.900 0.018 0.000 1.716 393 Y CA -0.250 57.861 58.100 0.018 0.000 1.400 393 Y CB -0.279 38.192 38.460 0.018 0.000 2.042 393 Y HN 0.446 nan 8.280 nan 0.000 0.260 394 L N 5.854 127.155 121.223 0.129 0.000 2.372 394 L HA 0.443 4.783 4.340 0.000 0.000 0.274 394 L C 0.442 177.388 176.870 0.127 0.000 0.988 394 L CA -0.749 54.111 54.840 0.033 0.000 0.833 394 L CB 1.811 43.879 42.059 0.015 0.000 1.236 394 L HN 0.823 nan 8.230 nan 0.000 0.410 395 Q N 1.619 121.501 119.800 0.137 0.000 2.576 395 Q HA -0.039 4.301 4.340 0.000 0.000 0.218 395 Q C 0.924 176.970 176.000 0.076 0.000 0.983 395 Q CA 0.815 56.700 55.803 0.137 0.000 0.920 395 Q CB -0.152 28.663 28.738 0.128 0.000 0.973 395 Q HN 0.776 nan 8.270 nan 0.000 0.528 601 T N -0.912 113.657 114.554 0.025 0.000 3.065 601 T HA 0.520 4.870 4.350 0.000 0.000 0.252 601 T C 1.740 176.456 174.700 0.027 0.000 1.099 601 T CA 2.278 64.390 62.100 0.021 0.000 1.063 601 T CB -0.155 68.722 68.868 0.015 0.000 0.948 601 T HN 1.582 nan 8.240 nan 0.000 0.506 602 S N 0.139 115.861 115.700 0.037 0.000 2.562 602 S HA 0.524 4.994 4.470 0.000 0.000 0.221 602 S C 2.106 176.748 174.600 0.071 0.000 0.975 602 S CA 0.965 59.193 58.200 0.046 0.000 0.918 602 S CB -0.726 62.500 63.200 0.044 0.000 0.772 602 S HN 0.750 nan 8.310 nan 0.000 0.531 603 I N 0.142 120.757 120.570 0.076 0.000 2.810 603 I HA 0.479 4.649 4.170 0.000 0.000 0.262 603 I C 2.390 178.528 176.117 0.034 0.000 1.131 603 I CA 1.501 62.869 61.300 0.113 0.000 1.453 603 I CB -1.523 36.560 38.000 0.140 0.000 1.161 603 I HN 0.507 nan 8.210 nan 0.000 0.444 604 E N 1.324 121.532 120.200 0.014 0.000 2.160 604 E HA -0.199 4.151 4.350 0.000 0.000 0.195 604 E C 1.945 178.534 176.600 -0.019 0.000 0.991 604 E CA 1.848 58.239 56.400 -0.016 0.000 0.810 604 E CB -1.343 28.354 29.700 -0.005 0.000 0.742 604 E HN 1.168 nan 8.360 nan 0.000 0.466 605 E N -0.846 119.357 120.200 0.004 0.000 2.512 605 E HA 0.356 4.706 4.350 0.000 0.000 0.195 605 E C 1.774 178.378 176.600 0.007 0.000 1.083 605 E CA 1.258 57.662 56.400 0.007 0.000 0.873 605 E CB -0.817 28.895 29.700 0.020 0.000 0.897 605 E HN 0.827 nan 8.360 nan 0.000 0.514 606 R N -1.698 118.795 120.500 -0.012 0.000 2.471 606 R HA 0.480 4.820 4.340 0.000 0.000 0.326 606 R C 1.573 177.739 176.300 -0.224 0.000 0.875 606 R CA 0.697 56.782 56.100 -0.026 0.000 1.102 606 R CB -1.256 29.111 30.300 0.112 0.000 1.749 606 R HN 0.633 nan 8.270 nan 0.000 0.487 607 T N 1.070 115.484 114.554 -0.234 0.000 4.622 607 T HA 0.589 4.939 4.350 0.000 0.000 0.223 607 T C 0.696 175.242 174.700 -0.257 0.000 0.939 607 T CA 1.160 63.044 62.100 -0.359 0.000 1.070 607 T CB -0.917 67.831 68.868 -0.200 0.000 1.391 607 T HN 1.644 nan 8.240 nan 0.000 1.063 701 E N 0.977 121.194 120.200 0.028 0.000 2.481 701 E HA 0.536 4.886 4.350 0.000 0.000 0.198 701 E C 2.073 178.687 176.600 0.023 0.000 1.027 701 E CA 1.302 57.717 56.400 0.026 0.000 0.900 701 E CB -0.575 29.137 29.700 0.020 0.000 0.993 701 E HN 1.795 nan 8.360 nan 0.000 0.482 702 L N 0.255 121.493 121.223 0.024 0.000 1.943 702 L HA 0.273 4.613 4.340 0.000 0.000 0.215 702 L C 2.920 179.805 176.870 0.024 0.000 1.074 702 L CA 2.587 57.440 54.840 0.022 0.000 0.759 702 L CB -1.453 40.620 42.059 0.022 0.000 0.888 702 L HN 0.494 nan 8.230 nan 0.000 0.433 703 G N -1.628 107.191 108.800 0.031 0.000 2.920 703 G HA2 0.328 4.288 3.960 0.000 0.000 0.208 703 G HA3 0.328 4.288 3.960 0.000 0.000 0.208 703 G C 1.465 176.384 174.900 0.032 0.000 1.159 703 G CA 1.169 46.288 45.100 0.032 0.000 0.784 703 G HN 1.309 nan 8.290 nan 0.000 0.535 704 L N -0.583 120.659 121.223 0.033 0.000 2.549 704 L HA 0.566 4.906 4.340 0.000 0.000 0.230 704 L C 2.520 179.403 176.870 0.022 0.000 1.162 704 L CA 2.146 57.005 54.840 0.031 0.000 0.834 704 L CB -1.192 40.886 42.059 0.032 0.000 0.947 704 L HN 0.439 nan 8.230 nan 0.000 0.452 705 V N -1.993 117.933 119.914 0.019 0.000 3.371 705 V HA 0.330 4.450 4.120 0.000 0.000 0.246 705 V C 1.211 177.313 176.094 0.014 0.000 1.303 705 V CA 1.303 63.612 62.300 0.014 0.000 1.156 705 V CB -0.884 30.945 31.823 0.011 0.000 0.929 705 V HN 0.568 nan 8.190 nan 0.000 0.459 801 Q N -1.452 118.355 119.800 0.011 0.000 1.254 801 Q HA 0.393 4.733 4.340 0.000 0.000 0.302 801 Q C 0.873 176.875 176.000 0.004 0.000 0.983 801 Q CA 2.990 58.797 55.803 0.007 0.000 0.783 801 Q CB -1.937 26.806 28.738 0.007 0.000 3.906 801 Q HN 2.726 nan 8.270 nan 0.000 0.494 901 V N -1.670 118.259 119.914 0.024 0.000 5.903 901 V HA 0.527 4.647 4.120 0.000 0.000 0.714 901 V C 0.836 176.944 176.094 0.023 0.000 2.035 901 V CA 0.601 62.916 62.300 0.025 0.000 3.737 901 V CB -2.171 29.664 31.823 0.021 0.000 0.115 901 V HN 2.729 nan 8.190 nan 0.000 0.592 902 A N -0.386 122.450 122.820 0.027 0.000 2.664 902 A HA 0.533 4.853 4.320 0.000 0.000 0.228 902 A C 0.556 178.152 177.584 0.020 0.000 1.091 902 A CA 1.883 53.934 52.037 0.024 0.000 0.793 902 A CB -0.036 18.983 19.000 0.032 0.000 1.003 902 A HN 2.560 nan 8.150 nan 0.000 0.510 903 D N -1.083 119.324 120.400 0.010 0.000 2.890 903 D HA 0.703 5.343 4.640 0.000 0.000 0.233 903 D C -0.633 175.662 176.300 -0.008 0.000 1.306 903 D CA 0.131 54.134 54.000 0.005 0.000 0.929 903 D CB 0.802 41.605 40.800 0.005 0.000 1.512 903 D HN 1.880 nan 8.370 nan 0.000 0.568 904 V N -1.143 118.765 119.914 -0.010 0.000 3.093 904 V HA 1.099 5.219 4.120 0.000 0.000 0.320 904 V C 0.645 176.725 176.094 -0.024 0.000 1.093 904 V CA -0.025 62.261 62.300 -0.025 0.000 1.016 904 V CB 1.878 33.684 31.823 -0.028 0.000 1.096 904 V HN 1.618 nan 8.190 nan 0.000 0.452 905 T N 1.021 115.559 114.554 -0.027 0.000 4.111 905 T HA 0.813 5.163 4.350 0.000 0.000 0.346 905 T C -0.267 174.425 174.700 -0.012 0.000 0.893 905 T CA 0.354 62.443 62.100 -0.017 0.000 1.011 905 T CB -0.078 68.785 68.868 -0.008 0.000 1.094 905 T HN 1.911 nan 8.240 nan 0.000 0.467 906 T N 2.156 116.706 114.554 -0.007 0.000 2.907 906 T HA 0.918 5.268 4.350 0.000 0.000 0.284 906 T C -1.319 173.402 174.700 0.035 0.000 1.004 906 T CA -0.786 61.315 62.100 0.003 0.000 1.063 906 T CB -0.041 68.822 68.868 -0.008 0.000 0.992 906 T HN 0.633 nan 8.240 nan 0.000 0.483 907 P HA 0.451 nan 4.420 nan 0.000 0.247 907 P C 0.949 178.297 177.300 0.079 0.000 1.147 907 P CA 1.729 64.859 63.100 0.049 0.000 0.964 907 P CB -1.607 30.110 31.700 0.028 0.000 0.944 908 Q N -0.022 119.867 119.800 0.149 0.000 2.224 908 Q HA -0.377 3.963 4.340 0.000 0.000 0.189 908 Q C 1.934 178.105 176.000 0.286 0.000 0.639 908 Q CA 3.455 59.424 55.803 0.277 0.000 1.436 908 Q CB -3.074 25.725 28.738 0.101 0.000 1.626 908 Q HN 1.122 nan 8.270 nan 0.000 0.768 909 T N -1.464 113.171 114.554 0.135 0.000 2.597 909 T HA 0.439 4.789 4.350 0.000 0.000 0.267 909 T C 1.825 176.577 174.700 0.087 0.000 1.053 909 T CA 3.957 66.107 62.100 0.082 0.000 1.165 909 T CB -0.448 68.433 68.868 0.023 0.000 0.863 909 T HN 2.407 nan 8.240 nan 0.000 0.427 910 V N -1.099 118.834 119.914 0.032 0.000 3.007 910 V HA 0.777 4.897 4.120 0.000 0.000 0.311 910 V C 1.608 177.566 176.094 -0.227 0.000 1.120 910 V CA -0.162 62.064 62.300 -0.123 0.000 0.980 910 V CB 1.371 33.121 31.823 -0.122 0.000 1.033 910 V HN 0.807 nan 8.190 nan 0.000 0.429 911 L N 2.101 122.954 121.223 -0.617 0.000 2.240 911 L HA 0.547 4.887 4.340 0.000 0.000 0.211 911 L C 1.679 178.387 176.870 -0.270 0.000 1.106 911 L CA 2.083 56.571 54.840 -0.587 0.000 0.793 911 L CB -1.805 39.566 42.059 -1.146 0.000 0.927 911 L HN 1.941 nan 8.230 nan 0.000 0.446 912 F N 0.151 119.951 119.950 -0.249 0.000 2.408 912 F HA 0.680 5.207 4.527 0.000 0.000 0.303 912 F C 0.904 176.653 175.800 -0.084 0.000 1.268 912 F CA -0.393 57.518 58.000 -0.147 0.000 1.218 912 F CB -0.415 38.502 39.000 -0.140 0.000 1.283 912 F HN 0.532 nan 8.300 nan 0.000 0.545 913 K N 0.796 121.162 120.400 -0.056 0.000 2.367 913 K HA 0.782 5.102 4.320 0.000 0.000 0.263 913 K C -0.678 175.906 176.600 -0.027 0.000 1.000 913 K CA 0.055 56.322 56.287 -0.032 0.000 0.891 913 K CB 0.230 32.718 32.500 -0.019 0.000 1.117 913 K HN 2.467 nan 8.250 nan 0.000 0.443 914 L N 0.838 122.047 121.223 -0.025 0.000 2.360 914 L HA 0.703 5.043 4.340 0.000 0.000 0.276 914 L C 0.610 177.480 176.870 -0.001 0.000 1.121 914 L CA 0.079 54.910 54.840 -0.015 0.000 0.845 914 L CB -0.831 41.216 42.059 -0.020 0.000 1.143 914 L HN 1.347 nan 8.230 nan 0.000 0.452 915 H N 1.932 121.008 119.070 0.010 0.000 2.725 915 H HA 0.759 5.315 4.556 0.000 0.000 0.283 915 H C -0.504 174.844 175.328 0.033 0.000 1.110 915 H CA -0.240 55.820 56.048 0.020 0.000 1.289 915 H CB 0.418 30.192 29.762 0.020 0.000 1.400 915 H HN 2.106 nan 8.280 nan 0.000 0.493 916 F N 1.402 121.378 119.950 0.042 0.000 2.469 916 F HA 0.962 5.489 4.527 0.000 0.000 0.332 916 F C 0.613 176.451 175.800 0.063 0.000 1.103 916 F CA -0.661 57.378 58.000 0.064 0.000 0.979 916 F CB 0.790 39.845 39.000 0.091 0.000 1.137 916 F HN 1.151 nan 8.300 nan 0.000 0.463 917 T N 0.000 114.592 114.554 0.063 0.000 3.816 917 T HA 0.000 4.350 4.350 0.000 0.000 0.228 917 T CA 0.000 62.130 62.100 0.051 0.000 1.349 917 T CB 0.000 68.890 68.868 0.037 0.000 0.612 917 T HN 0.000 nan 8.240 nan 0.000 0.658