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_D 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 0.000 176.418 176.300 0.197 0.000 2.045 12 D CA 0.000 54.078 54.000 0.130 0.000 0.868 12 D CB 0.000 40.912 40.800 0.186 0.000 0.688 13 W N 0.514 121.871 121.300 0.095 0.000 3.047 13 W HA 0.744 5.403 4.660 -0.000 0.000 0.341 13 W C -0.853 175.694 176.519 0.048 0.000 1.225 13 W CA -0.813 56.562 57.345 0.050 0.000 1.150 13 W CB 0.216 29.684 29.460 0.014 0.000 1.470 13 W HN -0.354 nan 8.180 nan 0.000 0.578 14 E N 1.087 121.560 120.200 0.456 0.000 2.406 14 E HA 0.319 4.668 4.350 -0.000 0.000 0.258 14 E C 1.103 177.894 176.600 0.320 0.000 1.043 14 E CA 1.921 58.500 56.400 0.298 0.000 0.929 14 E CB 0.519 30.345 29.700 0.210 0.000 0.969 14 E HN 1.034 nan 8.360 nan 0.000 0.462 15 G N 4.506 113.398 108.800 0.153 0.000 2.205 15 G HA2 -0.415 3.544 3.960 -0.000 0.000 0.261 15 G HA3 -0.415 3.544 3.960 -0.000 0.000 0.261 15 G C 1.252 176.174 174.900 0.037 0.000 0.980 15 G CA 0.687 45.865 45.100 0.130 0.000 0.632 15 G HN 0.578 nan 8.290 nan 0.000 0.533 16 R N -0.295 120.053 120.500 -0.253 0.000 2.122 16 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 16 R C 1.739 177.689 176.300 -0.584 0.000 1.129 16 R CA 2.315 57.974 56.100 -0.734 0.000 0.925 16 R CB -0.351 28.819 30.300 -1.884 0.000 0.850 16 R HN 0.550 nan 8.270 nan 0.000 0.431 17 W N 0.957 122.161 121.300 -0.160 0.000 3.433 17 W HA 0.192 4.852 4.660 -0.000 0.000 0.376 17 W C 1.012 177.577 176.519 0.077 0.000 1.160 17 W CA -0.629 56.694 57.345 -0.037 0.000 1.832 17 W CB -0.099 29.330 29.460 -0.053 0.000 1.011 17 W HN 0.281 nan 8.180 nan 0.000 0.766 18 N N -0.003 118.844 118.700 0.245 0.000 2.149 18 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 18 N C 0.898 176.546 175.510 0.230 0.000 1.019 18 N CA 1.220 54.401 53.050 0.219 0.000 0.857 18 N CB -0.389 38.194 38.487 0.159 0.000 0.997 18 N HN 0.220 nan 8.380 nan 0.000 0.426 19 H N -1.215 117.945 119.070 0.149 0.000 2.574 19 H HA 0.166 4.722 4.556 -0.000 0.000 0.277 19 H C 0.791 176.270 175.328 0.253 0.000 1.058 19 H CA 0.231 56.389 56.048 0.183 0.000 1.171 19 H CB 0.210 30.026 29.762 0.090 0.000 1.304 19 H HN 0.041 nan 8.280 nan 0.000 0.620 20 V N -1.613 118.539 119.914 0.397 0.000 3.193 20 V HA -0.035 4.085 4.120 -0.000 0.000 0.237 20 V C 1.898 178.262 176.094 0.451 0.000 1.447 20 V CA -0.050 62.484 62.300 0.389 0.000 1.227 20 V CB 0.405 32.433 31.823 0.343 0.000 1.040 20 V HN 0.131 nan 8.190 nan 0.000 0.458 21 K N 1.291 121.891 120.400 0.335 0.000 2.044 21 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 21 K C 1.971 178.711 176.600 0.233 0.000 1.049 21 K CA 1.773 58.209 56.287 0.249 0.000 0.927 21 K CB -0.236 32.371 32.500 0.179 0.000 0.713 21 K HN 0.365 nan 8.250 nan 0.000 0.443 22 K N -0.199 120.310 120.400 0.181 0.000 2.286 22 K HA -0.152 4.168 4.320 -0.000 0.000 0.203 22 K C 1.536 178.075 176.600 -0.102 0.000 1.045 22 K CA 1.323 57.602 56.287 -0.013 0.000 0.935 22 K CB -0.101 32.298 32.500 -0.169 0.000 0.737 22 K HN 0.115 nan 8.250 nan 0.000 0.460 23 F N -0.786 119.273 119.950 0.182 0.000 2.731 23 F HA 0.157 4.684 4.527 -0.000 0.000 0.298 23 F C 1.489 177.443 175.800 0.256 0.000 1.106 23 F CA 0.195 58.322 58.000 0.212 0.000 1.329 23 F CB 0.247 39.460 39.000 0.355 0.000 1.100 23 F HN -0.135 nan 8.300 nan 0.000 0.592 24 L N -1.042 120.460 121.223 0.464 0.000 2.500 24 L HA 0.144 4.484 4.340 -0.000 0.000 0.219 24 L C 1.881 178.937 176.870 0.311 0.000 1.057 24 L CA 0.511 55.606 54.840 0.425 0.000 0.854 24 L CB -0.227 42.004 42.059 0.286 0.000 1.078 24 L HN 0.005 nan 8.230 nan 0.000 0.480 25 E N 0.813 121.142 120.200 0.215 0.000 2.170 25 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 25 E C 0.347 177.027 176.600 0.134 0.000 0.981 25 E CA 0.329 56.806 56.400 0.128 0.000 0.830 25 E CB 0.363 30.117 29.700 0.090 0.000 0.775 25 E HN 0.390 nan 8.360 nan 0.000 0.470 26 R N 1.362 121.948 120.500 0.144 0.000 2.428 26 R HA 0.248 4.588 4.340 -0.000 0.000 0.294 26 R C 0.172 176.563 176.300 0.152 0.000 1.000 26 R CA -0.357 55.801 56.100 0.097 0.000 0.960 26 R CB 1.568 31.868 30.300 0.000 0.000 1.076 26 R HN -0.008 nan 8.270 nan 0.000 0.475 27 S N 0.347 116.130 115.700 0.138 0.000 2.634 27 S HA 0.730 5.200 4.470 -0.000 0.000 0.261 27 S C 0.403 174.984 174.600 -0.032 0.000 1.271 27 S CA -0.414 57.872 58.200 0.144 0.000 0.985 27 S CB 1.567 64.846 63.200 0.132 0.000 0.968 27 S HN 0.768 nan 8.310 nan 0.000 0.568 28 G N -0.832 107.914 108.800 -0.091 0.000 2.608 28 G HA2 0.557 4.517 3.960 -0.000 0.000 0.291 28 G HA3 0.557 4.517 3.960 -0.000 0.000 0.291 28 G C -2.875 172.000 174.900 -0.041 0.000 1.425 28 G CA -1.051 44.002 45.100 -0.080 0.000 0.787 28 G HN 0.479 nan 8.290 nan 0.000 0.484 29 P HA 0.130 nan 4.420 nan 0.000 0.214 29 P C 1.056 178.272 177.300 -0.139 0.000 1.162 29 P CA 0.796 63.859 63.100 -0.063 0.000 0.871 29 P CB 0.094 31.759 31.700 -0.057 0.000 0.783 30 F N -1.559 118.396 119.950 0.009 0.000 2.773 30 F HA 0.162 4.689 4.527 -0.000 0.000 0.304 30 F C 1.234 177.010 175.800 -0.040 0.000 1.129 30 F CA -0.030 58.007 58.000 0.062 0.000 1.378 30 F CB -1.488 37.645 39.000 0.220 0.000 1.095 30 F HN -0.201 nan 8.300 nan 0.000 0.565 31 T N 0.278 114.789 114.554 -0.071 0.000 2.933 31 T HA -0.140 4.209 4.350 -0.000 0.000 0.306 31 T C 0.033 174.687 174.700 -0.077 0.000 1.045 31 T CA 0.025 61.937 62.100 -0.313 0.000 1.143 31 T CB -0.121 68.476 68.868 -0.453 0.000 1.003 31 T HN 0.349 nan 8.240 nan 0.000 0.540 32 H N 5.630 124.634 119.070 -0.110 0.000 2.897 32 H HA 0.194 4.750 4.556 -0.000 0.000 0.347 32 H C -1.651 173.712 175.328 0.059 0.000 1.068 32 H CA -1.040 55.018 56.048 0.016 0.000 1.426 32 H CB 0.645 30.435 29.762 0.047 0.000 1.410 32 H HN 0.416 nan 8.280 nan 0.000 0.597 33 P HA -0.227 nan 4.420 nan 0.000 0.214 33 P C 0.583 177.736 177.300 -0.245 0.000 1.172 33 P CA 1.978 64.833 63.100 -0.408 0.000 0.925 33 P CB 0.153 31.584 31.700 -0.448 0.000 0.793 34 D N -1.398 118.816 120.400 -0.309 0.000 2.389 34 D HA -0.090 4.550 4.640 -0.000 0.000 0.250 34 D C 0.225 176.573 176.300 0.081 0.000 1.136 34 D CA 0.404 54.394 54.000 -0.017 0.000 0.945 34 D CB -0.798 40.070 40.800 0.114 0.000 0.890 34 D HN 0.190 nan 8.370 nan 0.000 0.525 35 F N 1.904 121.826 119.950 -0.045 0.000 2.438 35 F HA 0.132 4.659 4.527 -0.000 0.000 0.356 35 F C 0.383 176.148 175.800 -0.059 0.000 1.099 35 F CA -0.304 57.676 58.000 -0.033 0.000 1.185 35 F CB 0.760 39.739 39.000 -0.034 0.000 1.115 35 F HN -0.308 nan 8.300 nan 0.000 0.526 36 E N 8.024 127.671 120.200 -0.922 0.000 2.182 36 E HA 0.231 4.581 4.350 -0.000 0.000 0.258 36 E C -2.532 173.431 176.600 -1.063 0.000 0.879 36 E CA -2.163 53.809 56.400 -0.714 0.000 0.754 36 E CB 1.449 30.902 29.700 -0.413 0.000 1.162 36 E HN 0.357 nan 8.360 nan 0.000 0.419 37 P HA 0.048 nan 4.420 nan 0.000 0.268 37 P C -0.351 176.833 177.300 -0.193 0.000 1.282 37 P CA 0.117 63.034 63.100 -0.306 0.000 0.880 37 P CB 0.570 32.327 31.700 0.096 0.000 0.971 38 S N 1.815 117.398 115.700 -0.195 0.000 2.599 38 S HA 0.368 4.838 4.470 -0.000 0.000 0.287 38 S C 1.068 175.633 174.600 -0.059 0.000 1.105 38 S CA -0.365 57.759 58.200 -0.127 0.000 0.899 38 S CB 1.720 64.813 63.200 -0.178 0.000 1.100 38 S HN 0.339 nan 8.310 nan 0.000 0.482 39 T N 0.941 115.472 114.554 -0.039 0.000 3.067 39 T HA 0.115 4.464 4.350 -0.000 0.000 0.261 39 T C 1.272 175.963 174.700 -0.015 0.000 1.110 39 T CA 1.406 63.501 62.100 -0.009 0.000 1.113 39 T CB -0.278 68.588 68.868 -0.002 0.000 0.917 39 T HN 0.699 nan 8.240 nan 0.000 0.499 40 E N -0.129 120.046 120.200 -0.041 0.000 2.190 40 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 40 E C 2.220 178.802 176.600 -0.031 0.000 0.978 40 E CA 0.530 56.910 56.400 -0.033 0.000 0.839 40 E CB -0.010 29.659 29.700 -0.051 0.000 0.787 40 E HN 0.412 nan 8.360 nan 0.000 0.473 41 S N 1.253 116.904 115.700 -0.081 0.000 2.426 41 S HA -0.281 4.189 4.470 -0.000 0.000 0.253 41 S C 1.769 176.354 174.600 -0.025 0.000 1.104 41 S CA 1.726 59.872 58.200 -0.089 0.000 1.158 41 S CB -0.561 62.581 63.200 -0.098 0.000 1.043 41 S HN 0.318 nan 8.310 nan 0.000 0.443 42 L N 1.679 122.884 121.223 -0.031 0.000 1.943 42 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 42 L C 2.399 179.184 176.870 -0.141 0.000 1.074 42 L CA 2.318 57.102 54.840 -0.093 0.000 0.759 42 L CB -1.350 40.654 42.059 -0.091 0.000 0.888 42 L HN 0.212 nan 8.230 nan 0.000 0.433 43 Q N -0.938 118.802 119.800 -0.100 0.000 2.118 43 Q HA -0.305 4.035 4.340 -0.000 0.000 0.211 43 Q C 2.091 178.052 176.000 -0.066 0.000 0.998 43 Q CA 2.507 58.251 55.803 -0.099 0.000 0.872 43 Q CB -0.816 27.901 28.738 -0.035 0.000 0.925 43 Q HN 0.546 nan 8.270 nan 0.000 0.414 44 F N -0.261 119.601 119.950 -0.146 0.000 2.025 44 F HA -0.295 4.232 4.527 -0.000 0.000 0.297 44 F C 1.925 177.627 175.800 -0.164 0.000 1.132 44 F CA 1.848 59.768 58.000 -0.134 0.000 1.191 44 F CB -0.909 38.012 39.000 -0.132 0.000 0.963 44 F HN 0.294 nan 8.300 nan 0.000 0.481 45 L N 0.514 121.726 121.223 -0.017 0.000 2.010 45 L HA -0.286 4.053 4.340 -0.000 0.000 0.219 45 L C 2.219 178.908 176.870 -0.302 0.000 1.077 45 L CA 2.045 56.753 54.840 -0.220 0.000 0.773 45 L CB -1.057 40.797 42.059 -0.341 0.000 0.892 45 L HN 0.298 nan 8.230 nan 0.000 0.436 46 L N -0.868 120.169 121.223 -0.309 0.000 2.187 46 L HA -0.202 4.137 4.340 -0.000 0.000 0.213 46 L C 1.989 178.751 176.870 -0.181 0.000 1.100 46 L CA 1.336 56.009 54.840 -0.279 0.000 0.765 46 L CB -0.642 41.212 42.059 -0.341 0.000 0.904 46 L HN 0.408 nan 8.230 nan 0.000 0.437 47 D N -1.723 118.552 120.400 -0.208 0.000 2.490 47 D HA -0.052 4.588 4.640 -0.000 0.000 0.244 47 D C 2.228 178.397 176.300 -0.218 0.000 0.979 47 D CA 1.773 55.660 54.000 -0.187 0.000 0.924 47 D CB -0.013 40.671 40.800 -0.194 0.000 1.075 47 D HN 0.310 nan 8.370 nan 0.000 0.488 48 T N -1.675 112.654 114.554 -0.376 0.000 3.031 48 T HA 0.015 4.365 4.350 -0.000 0.000 0.254 48 T C 1.421 176.083 174.700 -0.063 0.000 1.060 48 T CA -0.110 61.789 62.100 -0.334 0.000 1.135 48 T CB -0.623 67.801 68.868 -0.740 0.000 0.896 48 T HN -0.007 nan 8.240 nan 0.000 0.472 49 C N 3.640 122.924 119.300 -0.025 0.000 2.667 49 C HA 0.334 4.794 4.460 -0.000 0.000 0.392 49 C C 0.521 175.663 174.990 0.254 0.000 1.332 49 C CA -0.747 58.424 59.018 0.254 0.000 1.594 49 C CB -1.703 26.119 27.740 0.136 0.000 2.345 49 C HN 0.421 nan 8.230 nan 0.000 0.594 50 K N 4.140 124.610 120.400 0.117 0.000 2.248 50 K HA 0.551 4.871 4.320 -0.000 0.000 0.281 50 K C -0.839 175.881 176.600 0.199 0.000 1.054 50 K CA -0.240 56.071 56.287 0.040 0.000 0.903 50 K CB 1.190 33.521 32.500 -0.281 0.000 1.077 50 K HN 0.476 nan 8.250 nan 0.000 0.474 51 V N 5.154 125.231 119.914 0.272 0.000 2.525 51 V HA 0.237 4.356 4.120 -0.000 0.000 0.299 51 V C -0.810 175.219 176.094 -0.108 0.000 1.034 51 V CA -1.039 61.327 62.300 0.109 0.000 0.863 51 V CB 1.586 33.429 31.823 0.033 0.000 0.999 51 V HN 0.574 nan 8.190 nan 0.000 0.423 52 L N 6.500 127.388 121.223 -0.557 0.000 2.312 52 L HA 0.693 5.033 4.340 -0.000 0.000 0.281 52 L C -0.421 176.219 176.870 -0.383 0.000 1.070 52 L CA 0.233 54.558 54.840 -0.858 0.000 0.805 52 L CB 1.670 42.650 42.059 -1.799 0.000 1.174 52 L HN 0.432 nan 8.230 nan 0.000 0.434 53 V N 7.115 126.891 119.914 -0.230 0.000 2.325 53 V HA 0.358 4.477 4.120 -0.000 0.000 0.280 53 V C 0.241 176.278 176.094 -0.094 0.000 1.016 53 V CA -0.457 61.757 62.300 -0.142 0.000 0.818 53 V CB 0.978 32.739 31.823 -0.104 0.000 1.019 53 V HN 0.621 nan 8.190 nan 0.000 0.434 54 I N 4.945 125.467 120.570 -0.079 0.000 2.452 54 I HA 0.557 4.727 4.170 -0.000 0.000 0.287 54 I C 0.986 177.088 176.117 -0.026 0.000 1.079 54 I CA 0.624 61.910 61.300 -0.023 0.000 1.387 54 I CB 0.642 38.650 38.000 0.013 0.000 1.404 54 I HN 0.834 nan 8.210 nan 0.000 0.522 55 G N 4.765 113.557 108.800 -0.013 0.000 2.712 55 G HA2 0.196 4.155 3.960 -0.000 0.000 0.686 55 G HA3 0.196 4.155 3.960 -0.000 0.000 0.686 55 G C -0.750 174.126 174.900 -0.041 0.000 1.181 55 G CA -0.388 44.696 45.100 -0.027 0.000 0.762 55 G HN 1.097 nan 8.290 nan 0.000 0.641 56 A N 0.673 123.471 122.820 -0.036 0.000 3.158 56 A HA 0.954 5.273 4.320 -0.000 0.000 0.302 56 A C 0.339 177.905 177.584 -0.029 0.000 1.162 56 A CA 0.676 52.688 52.037 -0.043 0.000 0.824 56 A CB 0.578 19.587 19.000 0.014 0.000 1.322 56 A HN 2.640 nan 8.150 nan 0.000 0.510 57 G N -0.468 108.264 108.800 -0.113 0.000 2.717 57 G HA2 0.639 4.598 3.960 -0.000 0.000 0.300 57 G HA3 0.639 4.598 3.960 -0.000 0.000 0.300 57 G C 0.555 175.360 174.900 -0.159 0.000 1.424 57 G CA 0.825 45.847 45.100 -0.129 0.000 1.033 57 G HN 2.032 nan 8.290 nan 0.000 0.577 58 G N 1.040 109.717 108.800 -0.205 0.000 2.815 58 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.326 58 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.326 58 G C 1.608 176.419 174.900 -0.148 0.000 1.191 58 G CA 1.085 46.096 45.100 -0.150 0.000 0.965 58 G HN 1.369 nan 8.290 nan 0.000 0.564 59 L N 1.556 122.708 121.223 -0.118 0.000 1.978 59 L HA -0.042 4.297 4.340 -0.000 0.000 0.218 59 L C 3.408 180.200 176.870 -0.130 0.000 1.075 59 L CA 2.402 57.175 54.840 -0.110 0.000 0.767 59 L CB -1.229 40.773 42.059 -0.096 0.000 0.890 59 L HN 0.754 nan 8.230 nan 0.000 0.434 60 G N -0.416 108.301 108.800 -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 1.609 176.382 174.900 -0.211 0.000 1.238 60 G CA 1.335 46.345 45.100 -0.150 0.000 0.791 60 G HN 0.479 nan 8.290 nan 0.000 0.606 61 C N 0.007 119.097 119.300 -0.349 0.000 2.336 61 C HA -0.099 4.361 4.460 -0.000 0.000 0.275 61 C C 2.710 177.512 174.990 -0.314 0.000 1.175 61 C CA 1.356 60.025 59.018 -0.582 0.000 1.771 61 C CB -1.217 25.869 27.740 -1.091 0.000 2.030 61 C HN 0.647 nan 8.230 nan 0.000 0.442 62 E N 0.442 120.579 120.200 -0.104 0.000 2.097 62 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 62 E C 2.019 178.620 176.600 0.002 0.000 1.000 62 E CA 1.188 57.659 56.400 0.118 0.000 0.804 62 E CB -0.439 29.295 29.700 0.057 0.000 0.740 62 E HN 0.584 nan 8.360 nan 0.000 0.454 63 L N -0.252 120.927 121.223 -0.072 0.000 1.989 63 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 63 L C 2.463 179.282 176.870 -0.084 0.000 1.071 63 L CA 1.170 55.956 54.840 -0.092 0.000 0.749 63 L CB -0.417 41.575 42.059 -0.113 0.000 0.890 63 L HN 0.261 nan 8.230 nan 0.000 0.431 64 L N -0.237 120.933 121.223 -0.089 0.000 2.013 64 L HA -0.307 4.033 4.340 -0.000 0.000 0.212 64 L C 2.722 179.580 176.870 -0.019 0.000 1.073 64 L CA 1.611 56.410 54.840 -0.068 0.000 0.753 64 L CB -0.543 41.457 42.059 -0.099 0.000 0.890 64 L HN 0.312 nan 8.230 nan 0.000 0.432 65 K N 0.227 120.635 120.400 0.013 0.000 1.978 65 K HA -0.224 4.095 4.320 -0.000 0.000 0.214 65 K C 1.969 178.587 176.600 0.030 0.000 1.049 65 K CA 1.948 58.270 56.287 0.058 0.000 0.939 65 K CB -0.095 32.490 32.500 0.142 0.000 0.721 65 K HN 0.258 nan 8.250 nan 0.000 0.441 66 N N 1.185 119.885 118.700 0.000 0.000 2.037 66 N HA -0.224 4.516 4.740 -0.000 0.000 0.196 66 N C 2.021 177.536 175.510 0.007 0.000 1.034 66 N CA 1.636 54.674 53.050 -0.020 0.000 0.861 66 N CB -0.606 37.847 38.487 -0.056 0.000 1.039 66 N HN 0.228 nan 8.380 nan 0.000 0.427 67 L N 0.850 122.050 121.223 -0.039 0.000 2.012 67 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 67 L C 2.505 179.481 176.870 0.177 0.000 1.073 67 L CA 1.368 56.169 54.840 -0.066 0.000 0.748 67 L CB -0.573 41.344 42.059 -0.236 0.000 0.891 67 L HN 0.153 nan 8.230 nan 0.000 0.431 68 A N 0.082 122.994 122.820 0.153 0.000 1.892 68 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 68 A C 2.092 179.881 177.584 0.342 0.000 1.188 68 A CA 1.666 53.843 52.037 0.235 0.000 0.631 68 A CB -0.744 18.352 19.000 0.160 0.000 0.822 68 A HN 0.441 nan 8.150 nan 0.000 0.447 69 L N -0.452 120.917 121.223 0.243 0.000 2.591 69 L HA 0.062 4.401 4.340 -0.000 0.000 0.228 69 L C 1.871 178.948 176.870 0.346 0.000 1.133 69 L CA 0.426 55.404 54.840 0.230 0.000 0.880 69 L CB 0.013 42.100 42.059 0.046 0.000 1.033 69 L HN 0.237 nan 8.230 nan 0.000 0.450 70 S N -0.080 115.838 115.700 0.362 0.000 2.524 70 S HA 0.206 4.675 4.470 -0.000 0.000 0.216 70 S C 1.354 176.182 174.600 0.380 0.000 0.987 70 S CA 0.776 59.153 58.200 0.294 0.000 0.909 70 S CB 0.575 63.967 63.200 0.319 0.000 0.781 70 S HN 0.614 nan 8.310 nan 0.000 0.521 71 G N 0.889 109.905 108.800 0.360 0.000 2.157 71 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.118 71 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.118 71 G C -0.366 174.345 174.900 -0.315 0.000 1.032 71 G CA -0.826 44.092 45.100 -0.304 0.000 0.697 71 G HN 0.297 nan 8.290 nan 0.000 0.495 72 F N 0.202 120.151 119.950 -0.002 0.000 2.469 72 F HA 0.719 5.246 4.527 -0.000 0.000 0.332 72 F C 1.402 177.219 175.800 0.029 0.000 1.103 72 F CA -1.024 56.986 58.000 0.017 0.000 0.979 72 F CB 1.643 40.686 39.000 0.071 0.000 1.137 72 F HN -0.094 nan 8.300 nan 0.000 0.463 73 R N 0.069 120.661 120.500 0.154 0.000 2.167 73 R HA 0.132 4.472 4.340 -0.000 0.000 0.195 73 R C -0.163 176.220 176.300 0.138 0.000 1.027 73 R CA 0.161 56.333 56.100 0.121 0.000 1.114 73 R CB 0.193 30.518 30.300 0.041 0.000 1.075 73 R HN 0.470 nan 8.270 nan 0.000 0.538 74 Q N 1.903 121.792 119.800 0.147 0.000 2.452 74 Q HA 0.327 4.667 4.340 -0.000 0.000 0.230 74 Q C -0.361 175.797 176.000 0.263 0.000 1.180 74 Q CA 0.494 56.403 55.803 0.177 0.000 0.914 74 Q CB 0.279 29.099 28.738 0.137 0.000 1.408 74 Q HN 0.289 nan 8.270 nan 0.000 0.520 75 I N 1.759 122.471 120.570 0.237 0.000 2.545 75 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 75 I C -0.010 176.245 176.117 0.231 0.000 1.040 75 I CA -0.725 60.713 61.300 0.230 0.000 1.068 75 I CB 1.908 39.977 38.000 0.116 0.000 1.251 75 I HN 0.379 nan 8.210 nan 0.000 0.424 76 H N 4.534 123.658 119.070 0.090 0.000 2.524 76 H HA 0.609 5.165 4.556 -0.000 0.000 0.353 76 H C -1.149 174.208 175.328 0.049 0.000 1.136 76 H CA -0.871 55.264 56.048 0.146 0.000 1.193 76 H CB 2.995 32.957 29.762 0.333 0.000 1.558 76 H HN 0.209 nan 8.280 nan 0.000 0.515 77 V N 5.145 125.168 119.914 0.182 0.000 2.487 77 V HA 0.324 4.444 4.120 -0.000 0.000 0.298 77 V C 0.144 176.348 176.094 0.184 0.000 1.028 77 V CA -0.585 61.776 62.300 0.103 0.000 0.860 77 V CB 1.832 33.674 31.823 0.032 0.000 0.991 77 V HN 0.568 nan 8.190 nan 0.000 0.427 78 I N 3.724 124.374 120.570 0.133 0.000 2.525 78 I HA 0.637 4.807 4.170 -0.000 0.000 0.301 78 I C -0.755 175.420 176.117 0.096 0.000 0.992 78 I CA -0.208 61.195 61.300 0.171 0.000 1.162 78 I CB 1.915 39.998 38.000 0.139 0.000 1.332 78 I HN 0.623 nan 8.210 nan 0.000 0.458 79 D N 5.571 126.027 120.400 0.092 0.000 2.414 79 D HA 0.111 4.751 4.640 -0.000 0.000 0.187 79 D C 0.088 176.357 176.300 -0.053 0.000 1.255 79 D CA -0.390 53.612 54.000 0.005 0.000 0.825 79 D CB 1.191 41.969 40.800 -0.037 0.000 1.912 79 D HN 0.580 nan 8.370 nan 0.000 0.530 80 M N 0.159 119.743 119.600 -0.027 0.000 2.476 80 M HA 0.195 4.674 4.480 -0.000 0.000 0.262 80 M C 0.389 176.610 176.300 -0.131 0.000 1.079 80 M CA 0.773 56.065 55.300 -0.013 0.000 1.104 80 M CB 0.117 32.728 32.600 0.018 0.000 1.409 80 M HN -0.030 nan 8.290 nan 0.000 0.467 81 D N 1.265 121.557 120.400 -0.180 0.000 2.388 81 D HA 0.277 4.917 4.640 -0.000 0.000 0.254 81 D C -0.544 175.550 176.300 -0.343 0.000 1.111 81 D CA 0.066 53.946 54.000 -0.200 0.000 0.993 81 D CB 1.649 42.378 40.800 -0.119 0.000 1.118 81 D HN 0.000 nan 8.370 nan 0.000 0.502 82 T N 0.578 114.977 114.554 -0.258 0.000 2.807 82 T HA 0.433 4.783 4.350 -0.000 0.000 0.279 82 T C 0.379 174.939 174.700 -0.233 0.000 0.993 82 T CA -0.705 61.227 62.100 -0.281 0.000 0.970 82 T CB 0.248 69.017 68.868 -0.165 0.000 0.950 82 T HN 0.198 nan 8.240 nan 0.000 0.441 83 I N 4.680 125.050 120.570 -0.334 0.000 2.906 83 I HA 0.030 4.200 4.170 -0.000 0.000 0.302 83 I C 0.627 176.659 176.117 -0.141 0.000 1.220 83 I CA 0.636 61.753 61.300 -0.305 0.000 1.441 83 I CB 0.213 37.914 38.000 -0.498 0.000 1.336 83 I HN 0.601 nan 8.210 nan 0.000 0.565 84 D N 5.461 125.824 120.400 -0.061 0.000 2.780 84 D HA 0.105 4.745 4.640 -0.000 0.000 0.242 84 D C 0.597 176.899 176.300 0.005 0.000 1.135 84 D CA -0.619 53.361 54.000 -0.032 0.000 0.859 84 D CB 2.372 43.154 40.800 -0.031 0.000 1.530 84 D HN 0.324 nan 8.370 nan 0.000 0.493 85 V N 4.019 123.935 119.914 0.003 0.000 2.277 85 V HA -0.304 3.815 4.120 -0.000 0.000 0.255 85 V C 1.895 178.006 176.094 0.027 0.000 1.074 85 V CA 3.467 65.779 62.300 0.020 0.000 1.058 85 V CB -0.615 31.215 31.823 0.013 0.000 0.656 85 V HN 0.712 nan 8.190 nan 0.000 0.449 86 S N -0.497 115.212 115.700 0.015 0.000 2.805 86 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 86 S C 1.149 175.758 174.600 0.014 0.000 0.968 86 S CA 0.983 59.190 58.200 0.011 0.000 0.976 86 S CB -0.729 62.469 63.200 -0.002 0.000 0.787 86 S HN 0.799 nan 8.310 nan 0.000 0.533 87 N N 1.031 119.755 118.700 0.039 0.000 2.397 87 N HA 0.258 4.998 4.740 -0.000 0.000 0.190 87 N C 1.162 176.696 175.510 0.039 0.000 1.099 87 N CA 0.241 53.319 53.050 0.047 0.000 0.876 87 N CB -0.335 38.231 38.487 0.131 0.000 1.143 87 N HN 0.379 nan 8.380 nan 0.000 0.468 88 L N 2.136 123.398 121.223 0.064 0.000 2.651 88 L HA -0.064 4.276 4.340 -0.000 0.000 0.236 88 L C 1.373 178.264 176.870 0.036 0.000 1.173 88 L CA 0.674 55.551 54.840 0.062 0.000 0.843 88 L CB -0.568 41.535 42.059 0.074 0.000 0.964 88 L HN 0.281 nan 8.230 nan 0.000 0.454 89 N N 0.754 119.464 118.700 0.017 0.000 2.236 89 N HA -0.033 4.707 4.740 -0.000 0.000 0.196 89 N C 1.226 176.738 175.510 0.002 0.000 1.114 89 N CA 0.139 53.196 53.050 0.011 0.000 0.859 89 N CB 0.443 38.932 38.487 0.003 0.000 0.982 89 N HN 0.553 nan 8.380 nan 0.000 0.493 90 R N -1.468 119.026 120.500 -0.009 0.000 2.390 90 R HA 0.117 4.456 4.340 -0.000 0.000 0.201 90 R C -0.372 175.901 176.300 -0.045 0.000 0.908 90 R CA -0.270 55.823 56.100 -0.012 0.000 1.480 90 R CB -0.351 29.925 30.300 -0.040 0.000 1.681 90 R HN -0.039 nan 8.270 nan 0.000 0.464 91 Q N 2.094 121.800 119.800 -0.158 0.000 2.901 91 Q HA 0.190 4.530 4.340 -0.000 0.000 0.265 91 Q C -0.037 175.625 176.000 -0.564 0.000 1.263 91 Q CA -0.532 54.987 55.803 -0.473 0.000 1.088 91 Q CB 0.319 28.732 28.738 -0.542 0.000 1.339 91 Q HN 0.377 nan 8.270 nan 0.000 0.546 92 F N -1.295 118.472 119.950 -0.306 0.000 2.271 92 F HA -0.223 4.303 4.527 -0.000 0.000 0.302 92 F C 0.951 176.610 175.800 -0.236 0.000 1.063 92 F CA 0.980 58.851 58.000 -0.214 0.000 1.362 92 F CB -0.392 38.505 39.000 -0.171 0.000 1.060 92 F HN 0.268 nan 8.300 nan 0.000 0.521 93 L N -0.625 120.017 121.223 -0.968 0.000 2.622 93 L HA 0.087 4.427 4.340 -0.000 0.000 0.233 93 L C -0.007 176.934 176.870 0.118 0.000 1.156 93 L CA 0.173 54.614 54.840 -0.666 0.000 0.866 93 L CB -0.685 40.818 42.059 -0.927 0.000 0.980 93 L HN 0.120 nan 8.230 nan 0.000 0.448 94 F N -0.497 119.443 119.950 -0.017 0.000 2.508 94 F HA 0.552 5.079 4.527 -0.000 0.000 0.325 94 F C 0.528 176.369 175.800 0.068 0.000 1.090 94 F CA -1.395 56.623 58.000 0.030 0.000 0.945 94 F CB 1.408 40.384 39.000 -0.039 0.000 1.156 94 F HN -0.216 nan 8.300 nan 0.000 0.463 95 R N 1.898 122.553 120.500 0.259 0.000 2.873 95 R HA 0.362 4.701 4.340 -0.000 0.000 0.264 95 R C -2.040 174.318 176.300 0.097 0.000 1.026 95 R CA -2.424 53.767 56.100 0.152 0.000 1.002 95 R CB 1.136 31.504 30.300 0.114 0.000 1.174 95 R HN 0.218 nan 8.270 nan 0.000 0.488 96 P HA -0.210 nan 4.420 nan 0.000 0.216 96 P C 0.828 178.139 177.300 0.018 0.000 1.150 96 P CA 1.763 64.886 63.100 0.038 0.000 0.843 96 P CB 0.236 31.955 31.700 0.031 0.000 0.787 97 K N -0.709 119.702 120.400 0.018 0.000 2.147 97 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 97 K C 1.198 177.792 176.600 -0.010 0.000 1.049 97 K CA 1.696 57.984 56.287 0.003 0.000 0.936 97 K CB -0.819 31.683 32.500 0.003 0.000 0.722 97 K HN 0.051 nan 8.250 nan 0.000 0.446 98 D N 1.205 121.602 120.400 -0.006 0.000 2.348 98 D HA 0.055 4.695 4.640 -0.000 0.000 0.216 98 D C 0.764 177.007 176.300 -0.096 0.000 0.970 98 D CA 0.337 54.309 54.000 -0.047 0.000 0.889 98 D CB -0.147 40.633 40.800 -0.034 0.000 0.912 98 D HN 0.276 nan 8.370 nan 0.000 0.524 99 I N 0.408 120.941 120.570 -0.062 0.000 2.948 99 I HA -0.080 4.090 4.170 -0.000 0.000 0.303 99 I C 1.838 177.904 176.117 -0.085 0.000 1.224 99 I CA 1.109 62.364 61.300 -0.076 0.000 1.442 99 I CB 0.409 38.387 38.000 -0.037 0.000 1.328 99 I HN 0.203 nan 8.210 nan 0.000 0.578 100 G N 4.735 113.473 108.800 -0.102 0.000 2.225 100 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 100 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 100 G C 0.465 175.308 174.900 -0.095 0.000 0.988 100 G CA -0.169 44.882 45.100 -0.082 0.000 0.625 100 G HN 0.617 nan 8.290 nan 0.000 0.527 101 R N 0.750 121.165 120.500 -0.142 0.000 2.541 101 R HA 0.486 4.826 4.340 -0.000 0.000 0.263 101 R C -2.693 173.462 176.300 -0.241 0.000 1.112 101 R CA -1.827 54.186 56.100 -0.145 0.000 1.170 101 R CB 0.316 30.527 30.300 -0.148 0.000 1.167 101 R HN 0.058 nan 8.270 nan 0.000 0.582 102 P HA 0.071 nan 4.420 nan 0.000 0.276 102 P C -0.264 176.774 177.300 -0.437 0.000 1.264 102 P CA 0.103 62.943 63.100 -0.433 0.000 0.769 102 P CB 0.706 32.243 31.700 -0.272 0.000 0.840 103 K N 3.220 123.317 120.400 -0.506 0.000 2.015 103 K HA -0.255 4.065 4.320 -0.000 0.000 0.216 103 K C 1.943 178.426 176.600 -0.195 0.000 1.052 103 K CA 2.165 58.172 56.287 -0.467 0.000 0.937 103 K CB -0.679 31.691 32.500 -0.217 0.000 0.719 103 K HN 0.444 nan 8.250 nan 0.000 0.446 104 A N 1.404 124.118 122.820 -0.178 0.000 1.917 104 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 104 A C 2.087 179.645 177.584 -0.044 0.000 1.182 104 A CA 2.028 54.025 52.037 -0.067 0.000 0.633 104 A CB -0.583 18.390 19.000 -0.045 0.000 0.819 104 A HN 0.467 nan 8.150 nan 0.000 0.448 105 E N -0.449 119.704 120.200 -0.080 0.000 2.007 105 E HA -0.144 4.205 4.350 -0.000 0.000 0.194 105 E C 1.996 178.589 176.600 -0.012 0.000 0.999 105 E CA 1.679 58.058 56.400 -0.034 0.000 0.811 105 E CB -0.192 29.494 29.700 -0.023 0.000 0.762 105 E HN 0.319 nan 8.360 nan 0.000 0.450 106 V N 1.633 121.517 119.914 -0.050 0.000 2.282 106 V HA -0.340 3.779 4.120 -0.000 0.000 0.249 106 V C 2.474 178.668 176.094 0.168 0.000 1.057 106 V CA 1.935 64.251 62.300 0.028 0.000 1.032 106 V CB -1.181 30.584 31.823 -0.097 0.000 0.645 106 V HN 0.471 nan 8.190 nan 0.000 0.447 107 A N 0.424 123.369 122.820 0.210 0.000 1.870 107 A HA -0.301 4.018 4.320 -0.000 0.000 0.219 107 A C 2.466 180.100 177.584 0.083 0.000 1.224 107 A CA 3.185 55.325 52.037 0.172 0.000 0.650 107 A CB -1.201 17.865 19.000 0.110 0.000 0.836 107 A HN 0.675 nan 8.150 nan 0.000 0.454 108 A N -0.867 121.986 122.820 0.056 0.000 1.902 108 A HA -0.186 4.133 4.320 -0.000 0.000 0.217 108 A C 2.049 179.686 177.584 0.088 0.000 1.181 108 A CA 1.966 54.029 52.037 0.043 0.000 0.623 108 A CB -0.679 18.320 19.000 -0.003 0.000 0.818 108 A HN 0.739 nan 8.150 nan 0.000 0.443 109 E N -0.814 119.443 120.200 0.095 0.000 2.035 109 E HA -0.269 4.081 4.350 -0.000 0.000 0.204 109 E C 1.890 178.601 176.600 0.185 0.000 1.025 109 E CA 1.772 58.236 56.400 0.107 0.000 0.835 109 E CB -0.389 29.363 29.700 0.087 0.000 0.764 109 E HN 0.659 nan 8.360 nan 0.000 0.457 110 F N 0.800 120.776 119.950 0.044 0.000 2.046 110 F HA -0.248 4.279 4.527 -0.000 0.000 0.297 110 F C 2.432 178.264 175.800 0.055 0.000 1.123 110 F CA 1.262 59.295 58.000 0.054 0.000 1.199 110 F CB -0.206 38.835 39.000 0.070 0.000 0.972 110 F HN 0.101 nan 8.300 nan 0.000 0.474 111 L N 0.895 122.344 121.223 0.375 0.000 2.043 111 L HA -0.325 4.015 4.340 -0.000 0.000 0.212 111 L C 1.987 178.983 176.870 0.210 0.000 1.075 111 L CA 1.539 56.514 54.840 0.225 0.000 0.752 111 L CB -0.659 41.434 42.059 0.055 0.000 0.891 111 L HN 0.239 nan 8.230 nan 0.000 0.432 112 N N -0.472 118.324 118.700 0.161 0.000 2.585 112 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 112 N C 1.142 176.729 175.510 0.128 0.000 1.102 112 N CA 1.085 54.209 53.050 0.124 0.000 0.920 112 N CB -0.111 38.426 38.487 0.083 0.000 0.963 112 N HN 0.531 nan 8.380 nan 0.000 0.447 113 D N 0.510 121.005 120.400 0.158 0.000 2.566 113 D HA -0.019 4.621 4.640 -0.000 0.000 0.253 113 D C 1.860 178.238 176.300 0.129 0.000 0.992 113 D CA 0.209 54.274 54.000 0.109 0.000 0.940 113 D CB 0.379 41.208 40.800 0.048 0.000 1.095 113 D HN -0.063 nan 8.370 nan 0.000 0.480 114 R N 0.535 121.165 120.500 0.217 0.000 2.105 114 R HA -0.023 4.316 4.340 -0.000 0.000 0.239 114 R C 0.335 176.748 176.300 0.188 0.000 1.135 114 R CA 0.877 57.116 56.100 0.231 0.000 0.967 114 R CB -0.259 30.330 30.300 0.480 0.000 0.861 114 R HN 0.019 nan 8.270 nan 0.000 0.442 115 V N 2.380 122.409 119.914 0.191 0.000 2.259 115 V HA 0.224 4.344 4.120 -0.000 0.000 0.267 115 V C -1.730 174.473 176.094 0.180 0.000 1.051 115 V CA -1.709 60.695 62.300 0.173 0.000 0.830 115 V CB 1.095 33.018 31.823 0.167 0.000 1.080 115 V HN 0.200 nan 8.190 nan 0.000 0.467 116 P HA -0.303 nan 4.420 nan 0.000 0.245 116 P C 0.779 178.187 177.300 0.180 0.000 0.756 116 P CA 1.928 65.159 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 -2.216 116.600 118.700 0.193 0.000 2.320 117 N HA 0.081 4.820 4.740 -0.000 0.000 0.237 117 N C 0.078 175.676 175.510 0.146 0.000 1.129 117 N CA -0.131 53.014 53.050 0.158 0.000 0.854 117 N CB -0.441 38.139 38.487 0.155 0.000 1.083 117 N HN 0.196 nan 8.380 nan 0.000 0.504 118 C N 1.038 120.432 119.300 0.157 0.000 2.700 118 C HA 0.131 4.591 4.460 -0.000 0.000 0.397 118 C C 1.124 176.174 174.990 0.101 0.000 1.301 118 C CA 0.144 59.248 59.018 0.144 0.000 2.219 118 C CB -0.302 27.529 27.740 0.152 0.000 2.699 118 C HN 0.465 nan 8.230 nan 0.000 0.669 119 N N 2.191 120.942 118.700 0.085 0.000 2.703 119 N HA 0.288 5.028 4.740 -0.000 0.000 0.283 119 N C -1.131 174.391 175.510 0.020 0.000 1.851 119 N CA -0.275 52.804 53.050 0.049 0.000 0.826 119 N CB 0.613 39.128 38.487 0.047 0.000 1.239 119 N HN 0.422 nan 8.380 nan 0.000 0.495 120 V N 1.266 121.188 119.914 0.014 0.000 2.508 120 V HA 0.267 4.387 4.120 -0.000 0.000 0.281 120 V C 0.156 176.182 176.094 -0.114 0.000 1.041 120 V CA -0.420 61.864 62.300 -0.026 0.000 1.016 120 V CB 1.285 33.112 31.823 0.006 0.000 0.984 120 V HN 0.130 nan 8.190 nan 0.000 0.478 121 V N 8.412 128.174 119.914 -0.253 0.000 2.357 121 V HA 0.370 4.490 4.120 -0.000 0.000 0.284 121 V C -1.950 173.918 176.094 -0.376 0.000 1.018 121 V CA -1.570 60.497 62.300 -0.388 0.000 0.841 121 V CB 1.655 33.033 31.823 -0.741 0.000 0.991 121 V HN 0.752 nan 8.190 nan 0.000 0.437 122 P HA 0.337 nan 4.420 nan 0.000 0.276 122 P C -0.960 176.112 177.300 -0.379 0.000 1.252 122 P CA -0.278 62.702 63.100 -0.200 0.000 0.802 122 P CB 1.035 32.686 31.700 -0.082 0.000 1.035 123 H N 0.987 120.137 119.070 0.134 0.000 3.021 123 H HA 0.133 4.689 4.556 -0.000 0.000 0.293 123 H C -0.857 174.620 175.328 0.249 0.000 1.244 123 H CA -0.453 55.723 56.048 0.213 0.000 1.596 123 H CB -0.004 29.912 29.762 0.256 0.000 1.720 123 H HN 0.300 nan 8.280 nan 0.000 0.537 124 F N 4.282 124.310 119.950 0.131 0.000 2.659 124 F HA 0.119 4.646 4.527 -0.000 0.000 0.356 124 F C -0.404 175.435 175.800 0.064 0.000 1.273 124 F CA -0.134 57.904 58.000 0.064 0.000 1.243 124 F CB -0.643 38.363 39.000 0.011 0.000 1.683 124 F HN 0.369 nan 8.300 nan 0.000 0.679 125 N N 2.355 121.299 118.700 0.406 0.000 2.774 125 N HA 0.311 5.051 4.740 -0.000 0.000 0.264 125 N C -1.402 174.223 175.510 0.191 0.000 1.415 125 N CA -0.887 52.315 53.050 0.253 0.000 0.815 125 N CB 1.986 40.589 38.487 0.193 0.000 1.514 125 N HN 0.244 nan 8.380 nan 0.000 0.523 126 K N 0.460 120.909 120.400 0.082 0.000 2.307 126 K HA 0.397 4.717 4.320 -0.000 0.000 0.263 126 K C 1.533 178.147 176.600 0.023 0.000 0.973 126 K CA -0.661 55.638 56.287 0.021 0.000 0.846 126 K CB 1.495 33.959 32.500 -0.059 0.000 1.100 126 K HN 0.649 nan 8.250 nan 0.000 0.438 127 I N -0.619 119.998 120.570 0.078 0.000 2.210 127 I HA -0.473 3.697 4.170 -0.000 0.000 0.249 127 I C 0.964 177.039 176.117 -0.070 0.000 1.047 127 I CA 1.538 62.945 61.300 0.179 0.000 1.323 127 I CB -0.701 37.370 38.000 0.118 0.000 1.017 127 I HN 0.620 nan 8.210 nan 0.000 0.427 128 Q N 1.153 120.552 119.800 -0.669 0.000 2.594 128 Q HA -0.093 4.247 4.340 -0.000 0.000 0.219 128 Q C 1.180 177.034 176.000 -0.244 0.000 0.980 128 Q CA 1.071 56.309 55.803 -0.941 0.000 0.962 128 Q CB -0.411 27.741 28.738 -0.978 0.000 0.987 128 Q HN 0.637 nan 8.270 nan 0.000 0.553 129 D N -0.916 119.393 120.400 -0.151 0.000 2.277 129 D HA 0.021 4.660 4.640 -0.000 0.000 0.209 129 D C -0.196 175.904 176.300 -0.334 0.000 0.970 129 D CA 0.439 54.251 54.000 -0.314 0.000 0.874 129 D CB 0.296 40.751 40.800 -0.574 0.000 0.982 129 D HN 0.134 nan 8.370 nan 0.000 0.504 130 F N 1.155 121.144 119.950 0.065 0.000 2.380 130 F HA 0.318 4.845 4.527 -0.000 0.000 0.321 130 F C 0.847 176.914 175.800 0.445 0.000 1.103 130 F CA -1.126 56.943 58.000 0.115 0.000 1.067 130 F CB 0.459 39.373 39.000 -0.142 0.000 1.265 130 F HN -0.215 nan 8.300 nan 0.000 0.517 131 N N -1.373 117.662 118.700 0.559 0.000 2.312 131 N HA 0.222 4.962 4.740 -0.000 0.000 0.296 131 N C 0.116 175.905 175.510 0.464 0.000 1.193 131 N CA -0.711 52.613 53.050 0.458 0.000 0.773 131 N CB 0.754 39.395 38.487 0.255 0.000 1.435 131 N HN 0.588 nan 8.380 nan 0.000 0.484 132 D N -0.017 120.575 120.400 0.321 0.000 3.000 132 D HA -0.399 4.241 4.640 -0.000 0.000 0.196 132 D C 0.963 177.406 176.300 0.237 0.000 1.110 132 D CA 2.863 57.007 54.000 0.241 0.000 0.873 132 D CB -1.468 39.392 40.800 0.099 0.000 0.948 132 D HN 0.641 nan 8.370 nan 0.000 0.496 133 T N 0.511 115.177 114.554 0.187 0.000 2.624 133 T HA -0.276 4.074 4.350 -0.000 0.000 0.266 133 T C 1.546 176.333 174.700 0.145 0.000 1.050 133 T CA 2.068 64.251 62.100 0.138 0.000 1.163 133 T CB -0.789 68.160 68.868 0.136 0.000 0.861 133 T HN 0.282 nan 8.240 nan 0.000 0.443 134 F N 0.906 120.881 119.950 0.042 0.000 2.075 134 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 134 F C 2.026 177.705 175.800 -0.201 0.000 1.113 134 F CA 0.996 58.925 58.000 -0.119 0.000 1.218 134 F CB -0.748 38.159 39.000 -0.155 0.000 0.984 134 F HN 0.235 nan 8.300 nan 0.000 0.472 135 Y N 0.082 120.350 120.300 -0.054 0.000 2.439 135 Y HA -0.042 4.508 4.550 -0.000 0.000 0.292 135 Y C 2.467 178.299 175.900 -0.113 0.000 1.130 135 Y CA 1.049 59.089 58.100 -0.101 0.000 1.254 135 Y CB -0.613 37.874 38.460 0.044 0.000 1.000 135 Y HN -0.038 nan 8.280 nan 0.000 0.554 136 R N 0.321 120.831 120.500 0.017 0.000 2.159 136 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 136 R C 2.046 178.229 176.300 -0.194 0.000 1.131 136 R CA 1.451 57.523 56.100 -0.048 0.000 0.982 136 R CB -0.326 29.952 30.300 -0.037 0.000 0.868 136 R HN 0.546 nan 8.270 nan 0.000 0.453 137 Q N -0.096 119.443 119.800 -0.434 0.000 2.096 137 Q HA -0.166 4.174 4.340 -0.000 0.000 0.208 137 Q C 0.146 175.665 176.000 -0.802 0.000 0.993 137 Q CA 1.250 56.608 55.803 -0.742 0.000 0.862 137 Q CB -0.236 27.715 28.738 -1.312 0.000 0.915 137 Q HN 0.212 nan 8.270 nan 0.000 0.416 138 F N -0.550 119.162 119.950 -0.397 0.000 2.410 138 F HA 0.060 4.587 4.527 -0.000 0.000 0.334 138 F C 1.589 177.243 175.800 -0.243 0.000 1.134 138 F CA -0.433 57.336 58.000 -0.384 0.000 1.227 138 F CB 0.439 39.252 39.000 -0.312 0.000 1.194 138 F HN 0.025 nan 8.300 nan 0.000 0.571 139 H N 1.432 120.584 119.070 0.136 0.000 2.451 139 H HA 0.361 4.917 4.556 -0.000 0.000 0.294 139 H C 0.326 175.699 175.328 0.076 0.000 1.028 139 H CA 0.898 56.994 56.048 0.080 0.000 1.349 139 H CB 0.359 30.168 29.762 0.079 0.000 1.444 139 H HN 0.323 nan 8.280 nan 0.000 0.538 140 I N 0.445 121.133 120.570 0.197 0.000 2.969 140 I HA 0.355 4.525 4.170 -0.000 0.000 0.307 140 I C -0.858 175.252 176.117 -0.011 0.000 1.149 140 I CA -0.786 60.564 61.300 0.084 0.000 1.008 140 I CB 3.383 41.428 38.000 0.075 0.000 1.232 140 I HN -0.192 nan 8.210 nan 0.000 0.435 141 I N 4.075 124.612 120.570 -0.055 0.000 2.569 141 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 141 I C -1.034 175.020 176.117 -0.105 0.000 1.088 141 I CA -0.936 60.291 61.300 -0.121 0.000 1.047 141 I CB 2.348 40.290 38.000 -0.097 0.000 1.237 141 I HN 0.181 nan 8.210 nan 0.000 0.421 142 V N 2.414 122.252 119.914 -0.127 0.000 2.495 142 V HA 0.556 4.676 4.120 -0.000 0.000 0.298 142 V C -0.168 175.871 176.094 -0.092 0.000 1.031 142 V CA -0.651 61.584 62.300 -0.109 0.000 0.871 142 V CB 1.343 33.089 31.823 -0.128 0.000 0.988 142 V HN 0.791 nan 8.190 nan 0.000 0.432 143 C N 3.026 122.283 119.300 -0.072 0.000 2.358 143 C HA 0.936 5.396 4.460 -0.000 0.000 0.354 143 C C 1.097 176.052 174.990 -0.059 0.000 1.183 143 C CA 0.412 59.398 59.018 -0.052 0.000 2.150 143 C CB 1.266 28.989 27.740 -0.028 0.000 2.361 143 C HN 1.279 nan 8.230 nan 0.000 0.535 144 G N 1.906 110.677 108.800 -0.049 0.000 5.338 144 G HA2 0.346 4.305 3.960 -0.000 0.000 0.198 144 G HA3 0.346 4.305 3.960 -0.000 0.000 0.198 144 G C -0.616 174.258 174.900 -0.043 0.000 0.708 144 G CA -0.197 44.870 45.100 -0.056 0.000 0.626 144 G HN 0.575 nan 8.290 nan 0.000 0.419 145 L N 0.833 122.039 121.223 -0.029 0.000 2.399 145 L HA 0.383 4.723 4.340 -0.000 0.000 0.266 145 L C 0.886 177.738 176.870 -0.029 0.000 1.114 145 L CA -0.757 54.067 54.840 -0.025 0.000 0.804 145 L CB 1.365 43.416 42.059 -0.014 0.000 1.146 145 L HN 0.338 nan 8.230 nan 0.000 0.451 146 D N -0.533 119.845 120.400 -0.036 0.000 2.424 146 D HA 0.040 4.680 4.640 -0.000 0.000 0.220 146 D C 0.070 176.340 176.300 -0.051 0.000 1.150 146 D CA -0.081 53.896 54.000 -0.039 0.000 0.831 146 D CB 0.423 41.198 40.800 -0.041 0.000 0.981 146 D HN 0.427 nan 8.370 nan 0.000 0.500 147 S N -1.251 114.413 115.700 -0.059 0.000 2.667 147 S HA 0.544 5.014 4.470 -0.000 0.000 0.292 147 S C 0.869 175.399 174.600 -0.116 0.000 1.126 147 S CA -0.860 57.290 58.200 -0.082 0.000 0.881 147 S CB 1.250 64.408 63.200 -0.070 0.000 1.132 147 S HN -0.037 nan 8.310 nan 0.000 0.492 148 I N 0.624 121.094 120.570 -0.167 0.000 2.556 148 I HA 0.019 4.188 4.170 -0.000 0.000 0.251 148 I C 2.039 178.087 176.117 -0.115 0.000 1.105 148 I CA 0.351 61.505 61.300 -0.244 0.000 1.436 148 I CB -0.507 37.263 38.000 -0.383 0.000 1.139 148 I HN 0.643 nan 8.210 nan 0.000 0.438 149 I N 1.836 122.360 120.570 -0.075 0.000 2.074 149 I HA -0.401 3.769 4.170 -0.000 0.000 0.238 149 I C 2.956 179.104 176.117 0.052 0.000 1.037 149 I CA 1.889 63.185 61.300 -0.007 0.000 1.301 149 I CB -0.985 37.007 38.000 -0.013 0.000 1.016 149 I HN 0.216 nan 8.210 nan 0.000 0.400 150 A N 0.960 123.791 122.820 0.019 0.000 1.881 150 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 150 A C 2.443 180.097 177.584 0.117 0.000 1.215 150 A CA 2.469 54.535 52.037 0.049 0.000 0.648 150 A CB -0.915 18.080 19.000 -0.009 0.000 0.832 150 A HN 0.398 nan 8.150 nan 0.000 0.455 151 R N -0.978 119.553 120.500 0.052 0.000 2.097 151 R HA -0.189 4.151 4.340 -0.000 0.000 0.236 151 R C 2.536 178.883 176.300 0.078 0.000 1.135 151 R CA 1.914 58.049 56.100 0.058 0.000 0.934 151 R CB -0.455 29.864 30.300 0.032 0.000 0.846 151 R HN 0.581 nan 8.270 nan 0.000 0.431 152 R N -0.518 120.019 120.500 0.063 0.000 2.113 152 R HA -0.239 4.101 4.340 -0.000 0.000 0.244 152 R C 2.094 178.440 176.300 0.077 0.000 1.142 152 R CA 2.026 58.159 56.100 0.055 0.000 0.953 152 R CB -0.604 29.720 30.300 0.039 0.000 0.860 152 R HN 0.395 nan 8.270 nan 0.000 0.438 153 W N 1.395 122.667 121.300 -0.047 0.000 2.332 153 W HA -0.206 4.454 4.660 -0.000 0.000 0.321 153 W C 2.060 178.531 176.519 -0.080 0.000 1.219 153 W CA 1.171 58.486 57.345 -0.050 0.000 1.277 153 W CB -0.312 29.127 29.460 -0.034 0.000 1.161 153 W HN -0.023 nan 8.180 nan 0.000 0.476 154 I N 1.826 122.633 120.570 0.394 0.000 2.423 154 I HA -0.302 3.868 4.170 -0.000 0.000 0.254 154 I C 1.877 177.914 176.117 -0.135 0.000 1.151 154 I CA 2.203 63.581 61.300 0.131 0.000 1.421 154 I CB -1.352 36.750 38.000 0.170 0.000 1.079 154 I HN 0.231 nan 8.210 nan 0.000 0.431 155 N N 0.787 119.440 118.700 -0.078 0.000 2.120 155 N HA -0.118 4.622 4.740 -0.000 0.000 0.188 155 N C 1.928 177.332 175.510 -0.176 0.000 1.024 155 N CA 1.838 54.831 53.050 -0.096 0.000 0.852 155 N CB -0.440 38.025 38.487 -0.037 0.000 1.003 155 N HN 0.332 nan 8.380 nan 0.000 0.424 156 G N 0.558 109.201 108.800 -0.262 0.000 2.505 156 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.214 156 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.214 156 G C 1.452 176.114 174.900 -0.397 0.000 1.237 156 G CA 1.080 45.988 45.100 -0.320 0.000 0.802 156 G HN 0.384 nan 8.290 nan 0.000 0.549 157 M N 0.358 119.569 119.600 -0.648 0.000 2.128 157 M HA -0.108 4.372 4.480 -0.000 0.000 0.253 157 M C 2.216 178.290 176.300 -0.376 0.000 1.079 157 M CA 1.453 56.378 55.300 -0.625 0.000 1.082 157 M CB -0.483 31.541 32.600 -0.960 0.000 1.335 157 M HN 0.172 nan 8.290 nan 0.000 0.401 158 L N -1.095 119.938 121.223 -0.316 0.000 2.465 158 L HA -0.092 4.248 4.340 -0.000 0.000 0.224 158 L C 1.976 178.756 176.870 -0.150 0.000 1.145 158 L CA 0.520 55.245 54.840 -0.193 0.000 0.834 158 L CB -0.365 41.607 42.059 -0.145 0.000 0.944 158 L HN 0.435 nan 8.230 nan 0.000 0.451 159 I N -1.341 119.127 120.570 -0.171 0.000 2.628 159 I HA -0.162 4.008 4.170 -0.000 0.000 0.255 159 I C 2.516 178.533 176.117 -0.167 0.000 1.119 159 I CA 0.811 62.021 61.300 -0.149 0.000 1.448 159 I CB -0.042 37.881 38.000 -0.128 0.000 1.133 159 I HN 0.214 nan 8.210 nan 0.000 0.438 160 S N 1.692 117.289 115.700 -0.172 0.000 2.440 160 S HA -0.142 4.328 4.470 -0.000 0.000 0.240 160 S C 1.860 176.381 174.600 -0.132 0.000 1.014 160 S CA 1.000 59.110 58.200 -0.149 0.000 0.980 160 S CB -0.808 62.303 63.200 -0.148 0.000 0.775 160 S HN 0.418 nan 8.310 nan 0.000 0.499 161 L N 0.405 121.553 121.223 -0.125 0.000 2.291 161 L HA 0.182 4.522 4.340 -0.000 0.000 0.214 161 L C 0.930 177.723 176.870 -0.127 0.000 1.120 161 L CA 0.240 55.023 54.840 -0.094 0.000 0.799 161 L CB -0.775 41.246 42.059 -0.064 0.000 0.925 161 L HN 0.291 nan 8.230 nan 0.000 0.446 162 L N 1.522 122.631 121.223 -0.190 0.000 2.578 162 L HA -0.089 4.251 4.340 -0.000 0.000 0.279 162 L C 0.230 176.899 176.870 -0.335 0.000 1.227 162 L CA 0.238 54.905 54.840 -0.288 0.000 0.900 162 L CB -0.139 41.658 42.059 -0.437 0.000 1.144 162 L HN 0.163 nan 8.230 nan 0.000 0.496 163 N N 2.814 121.359 118.700 -0.258 0.000 2.446 163 N HA 0.259 4.999 4.740 -0.000 0.000 0.265 163 N C -1.445 174.028 175.510 -0.062 0.000 0.975 163 N CA -0.339 52.622 53.050 -0.149 0.000 0.928 163 N CB 0.639 39.095 38.487 -0.052 0.000 1.160 163 N HN 0.298 nan 8.380 nan 0.000 0.495 164 Y N 1.697 121.996 120.300 -0.002 0.000 2.385 164 Y HA 0.214 4.764 4.550 -0.000 0.000 0.341 164 Y C 0.214 176.115 175.900 0.001 0.000 0.965 164 Y CA -0.913 57.187 58.100 -0.000 0.000 1.180 164 Y CB 1.126 39.585 38.460 -0.001 0.000 1.139 164 Y HN 0.330 nan 8.280 nan 0.000 0.502 165 E N 4.726 125.033 120.200 0.178 0.000 1.852 165 E HA -0.012 4.338 4.350 -0.000 0.000 0.276 165 E C -0.681 175.949 176.600 0.051 0.000 1.163 165 E CA 0.155 56.608 56.400 0.088 0.000 1.117 165 E CB -0.155 29.583 29.700 0.064 0.000 1.124 165 E HN 0.717 nan 8.360 nan 0.000 0.458 166 D N 1.958 122.384 120.400 0.044 0.000 2.812 166 D HA -0.206 4.434 4.640 -0.000 0.000 0.237 166 D C 1.032 177.311 176.300 -0.035 0.000 1.162 166 D CA 1.225 55.229 54.000 0.007 0.000 0.740 166 D CB -0.956 39.847 40.800 0.005 0.000 1.000 166 D HN 0.832 nan 8.370 nan 0.000 0.416 167 G N -1.731 107.016 108.800 -0.089 0.000 2.347 167 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.247 167 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.247 167 G C 0.483 175.235 174.900 -0.246 0.000 1.037 167 G CA 0.310 45.291 45.100 -0.199 0.000 0.622 167 G HN 0.633 nan 8.290 nan 0.000 0.521 168 V N 2.144 121.997 119.914 -0.102 0.000 2.465 168 V HA 0.629 4.749 4.120 -0.000 0.000 0.279 168 V C 0.545 176.698 176.094 0.098 0.000 1.045 168 V CA -0.496 61.783 62.300 -0.034 0.000 0.938 168 V CB 1.596 33.423 31.823 0.006 0.000 0.986 168 V HN 0.529 nan 8.190 nan 0.000 0.467 169 L N 4.428 125.746 121.223 0.157 0.000 2.319 169 L HA 0.428 4.768 4.340 -0.000 0.000 0.280 169 L C 0.052 177.027 176.870 0.175 0.000 1.099 169 L CA 0.055 55.114 54.840 0.365 0.000 0.828 169 L CB 0.860 43.164 42.059 0.407 0.000 1.150 169 L HN 0.707 nan 8.230 nan 0.000 0.442 170 D N 7.632 128.115 120.400 0.137 0.000 2.346 170 D HA 0.155 4.795 4.640 -0.000 0.000 0.260 170 D C -1.542 174.785 176.300 0.046 0.000 1.252 170 D CA -1.828 52.213 54.000 0.068 0.000 0.895 170 D CB 1.210 42.036 40.800 0.044 0.000 1.097 170 D HN 0.436 nan 8.370 nan 0.000 0.489 171 P HA -0.210 nan 4.420 nan 0.000 0.216 171 P C 0.556 177.868 177.300 0.021 0.000 1.154 171 P CA 1.084 64.204 63.100 0.033 0.000 0.865 171 P CB -0.090 31.628 31.700 0.030 0.000 0.789 172 S N -1.044 114.666 115.700 0.017 0.000 2.859 172 S HA 0.164 4.633 4.470 -0.000 0.000 0.245 172 S C 1.170 175.775 174.600 0.009 0.000 1.008 172 S CA 0.205 58.413 58.200 0.014 0.000 1.089 172 S CB -1.173 62.035 63.200 0.013 0.000 0.798 172 S HN 0.317 nan 8.310 nan 0.000 0.477 173 S N 0.161 115.860 115.700 -0.002 0.000 2.847 173 S HA 0.392 4.862 4.470 -0.000 0.000 0.254 173 S C 0.037 174.617 174.600 -0.034 0.000 1.039 173 S CA -0.724 57.462 58.200 -0.024 0.000 1.113 173 S CB -0.370 62.800 63.200 -0.050 0.000 1.092 173 S HN 0.543 nan 8.310 nan 0.000 0.620 174 I N 1.944 122.506 120.570 -0.013 0.000 2.354 174 I HA 0.557 4.726 4.170 -0.000 0.000 0.292 174 I C -0.883 175.237 176.117 0.005 0.000 0.989 174 I CA -1.216 60.076 61.300 -0.013 0.000 1.188 174 I CB 1.880 39.879 38.000 -0.001 0.000 1.342 174 I HN -0.116 nan 8.210 nan 0.000 0.457 175 V N 7.545 127.460 119.914 0.001 0.000 2.334 175 V HA 0.292 4.412 4.120 -0.000 0.000 0.281 175 V C -2.209 173.889 176.094 0.008 0.000 1.016 175 V CA -1.823 60.490 62.300 0.022 0.000 0.832 175 V CB 1.251 33.091 31.823 0.028 0.000 0.999 175 V HN 0.592 nan 8.190 nan 0.000 0.439 176 P HA 0.076 nan 4.420 nan 0.000 0.263 176 P C -0.747 176.545 177.300 -0.014 0.000 1.195 176 P CA -0.008 63.091 63.100 -0.001 0.000 0.762 176 P CB 0.412 32.115 31.700 0.005 0.000 0.799 177 L N 5.958 127.165 121.223 -0.027 0.000 2.318 177 L HA 0.465 4.805 4.340 -0.000 0.000 0.277 177 L C -1.145 175.696 176.870 -0.049 0.000 1.008 177 L CA -0.450 54.366 54.840 -0.040 0.000 0.846 177 L CB 0.432 42.467 42.059 -0.040 0.000 1.220 177 L HN 0.106 nan 8.230 nan 0.000 0.423 178 I N 4.307 124.841 120.570 -0.061 0.000 2.331 178 I HA 0.382 4.552 4.170 -0.000 0.000 0.292 178 I C -0.062 176.005 176.117 -0.084 0.000 0.998 178 I CA 0.028 61.281 61.300 -0.079 0.000 1.267 178 I CB 1.389 39.338 38.000 -0.086 0.000 1.386 178 I HN 0.645 nan 8.210 nan 0.000 0.476 179 D N 3.997 124.340 120.400 -0.095 0.000 2.252 179 D HA 0.744 5.383 4.640 -0.000 0.000 0.245 179 D C -0.329 175.902 176.300 -0.116 0.000 1.009 179 D CA -0.529 53.421 54.000 -0.085 0.000 0.870 179 D CB 1.558 42.328 40.800 -0.052 0.000 1.251 179 D HN 0.652 nan 8.370 nan 0.000 0.460 180 G N 0.481 109.226 108.800 -0.091 0.000 2.542 180 G HA2 0.638 4.597 3.960 -0.000 0.000 0.311 180 G HA3 0.638 4.597 3.960 -0.000 0.000 0.311 180 G C -0.713 174.150 174.900 -0.063 0.000 1.298 180 G CA -0.830 44.209 45.100 -0.102 0.000 0.973 180 G HN 0.575 nan 8.290 nan 0.000 0.487 181 G N -0.450 108.312 108.800 -0.063 0.000 2.638 181 G HA2 0.656 4.615 3.960 -0.000 0.000 0.302 181 G HA3 0.656 4.615 3.960 -0.000 0.000 0.302 181 G C -1.082 173.812 174.900 -0.011 0.000 1.365 181 G CA -0.347 44.749 45.100 -0.007 0.000 0.987 181 G HN 0.679 nan 8.290 nan 0.000 0.495 182 T N -0.136 114.422 114.554 0.006 0.000 2.864 182 T HA 0.716 5.065 4.350 -0.000 0.000 0.299 182 T C -1.389 173.323 174.700 0.019 0.000 1.166 182 T CA -0.475 61.625 62.100 0.001 0.000 1.007 182 T CB 2.178 71.023 68.868 -0.039 0.000 1.219 182 T HN 0.631 nan 8.240 nan 0.000 0.506 183 E N 0.823 121.035 120.200 0.020 0.000 2.749 183 E HA 0.414 4.763 4.350 -0.000 0.000 0.360 183 E C 0.200 176.809 176.600 0.015 0.000 1.037 183 E CA 0.436 56.848 56.400 0.021 0.000 0.684 183 E CB -0.299 29.436 29.700 0.058 0.000 1.422 183 E HN 1.075 nan 8.360 nan 0.000 0.407 184 G N 2.780 111.546 108.800 -0.058 0.000 2.531 184 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.274 184 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.274 184 G C 0.277 175.058 174.900 -0.198 0.000 1.159 184 G CA 0.417 45.436 45.100 -0.135 0.000 0.969 184 G HN 0.470 nan 8.290 nan 0.000 0.554 185 F N 2.389 122.395 119.950 0.093 0.000 2.765 185 F HA 0.343 4.870 4.527 -0.000 0.000 0.302 185 F C 1.595 177.513 175.800 0.197 0.000 1.111 185 F CA 0.695 58.777 58.000 0.137 0.000 1.359 185 F CB 0.328 39.389 39.000 0.102 0.000 1.097 185 F HN 0.073 nan 8.300 nan 0.000 0.577 186 K N 0.009 120.580 120.400 0.285 0.000 2.098 186 K HA 0.683 5.002 4.320 -0.000 0.000 0.258 186 K C 0.130 176.866 176.600 0.226 0.000 0.973 186 K CA -0.515 55.928 56.287 0.259 0.000 0.898 186 K CB 1.626 34.235 32.500 0.181 0.000 1.057 186 K HN 0.086 nan 8.250 nan 0.000 0.447 187 G N 0.999 109.948 108.800 0.247 0.000 2.677 187 G HA2 0.398 4.358 3.960 -0.000 0.000 0.291 187 G HA3 0.398 4.358 3.960 -0.000 0.000 0.291 187 G C -1.892 173.062 174.900 0.090 0.000 1.435 187 G CA -0.773 44.403 45.100 0.126 0.000 0.826 187 G HN 0.707 nan 8.290 nan 0.000 0.491 188 N N -0.912 117.777 118.700 -0.018 0.000 2.367 188 N HA 0.674 5.414 4.740 -0.000 0.000 0.278 188 N C -1.128 174.229 175.510 -0.253 0.000 1.117 188 N CA -0.507 52.464 53.050 -0.132 0.000 0.867 188 N CB 2.227 40.639 38.487 -0.125 0.000 1.649 188 N HN 1.083 nan 8.380 nan 0.000 0.479 189 A N 1.346 123.940 122.820 -0.377 0.000 2.414 189 A HA 0.857 5.176 4.320 -0.000 0.000 0.306 189 A C -0.579 176.698 177.584 -0.511 0.000 1.054 189 A CA -0.813 51.013 52.037 -0.352 0.000 0.724 189 A CB 1.721 20.574 19.000 -0.244 0.000 1.267 189 A HN 0.877 nan 8.150 nan 0.000 0.418 190 R N 0.677 120.938 120.500 -0.399 0.000 2.774 190 R HA 0.795 5.135 4.340 -0.000 0.000 0.272 190 R C -2.033 174.154 176.300 -0.188 0.000 1.000 190 R CA -0.665 55.218 56.100 -0.362 0.000 0.906 190 R CB 1.471 31.535 30.300 -0.394 0.000 1.227 190 R HN 0.375 nan 8.270 nan 0.000 0.468 191 V N 2.857 122.692 119.914 -0.132 0.000 2.555 191 V HA 0.564 4.683 4.120 -0.000 0.000 0.302 191 V C -0.116 175.951 176.094 -0.046 0.000 1.038 191 V CA -0.715 61.538 62.300 -0.080 0.000 0.887 191 V CB 1.777 33.560 31.823 -0.066 0.000 0.991 191 V HN 0.610 nan 8.190 nan 0.000 0.434 192 I N 5.013 125.563 120.570 -0.034 0.000 2.647 192 I HA 0.490 4.659 4.170 -0.000 0.000 0.295 192 I C -0.938 175.171 176.117 -0.012 0.000 1.078 192 I CA -0.597 60.694 61.300 -0.016 0.000 1.048 192 I CB 2.427 40.418 38.000 -0.015 0.000 1.239 192 I HN 0.375 nan 8.210 nan 0.000 0.421 193 L N 6.910 128.132 121.223 -0.002 0.000 2.502 193 L HA 0.313 4.653 4.340 -0.000 0.000 0.249 193 L C -2.342 174.531 176.870 0.005 0.000 1.446 193 L CA -1.557 53.283 54.840 0.001 0.000 0.887 193 L CB 0.969 43.033 42.059 0.008 0.000 1.126 193 L HN 0.290 nan 8.230 nan 0.000 0.509 194 P HA -0.129 nan 4.420 nan 0.000 0.255 194 P C 0.904 178.207 177.300 0.005 0.000 1.141 194 P CA 1.493 64.587 63.100 -0.011 0.000 0.767 194 P CB 0.474 32.149 31.700 -0.042 0.000 0.726 195 G N 2.520 111.342 108.800 0.037 0.000 2.131 195 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.201 195 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.201 195 G C 0.197 175.150 174.900 0.088 0.000 1.000 195 G CA 0.320 45.474 45.100 0.090 0.000 0.680 195 G HN 0.512 nan 8.290 nan 0.000 0.514 196 M N -1.969 117.666 119.600 0.059 0.000 1.528 196 M HA 0.104 4.584 4.480 -0.000 0.000 0.169 196 M C 0.692 177.018 176.300 0.043 0.000 1.321 196 M CA 0.617 55.947 55.300 0.051 0.000 0.724 196 M CB 0.327 32.954 32.600 0.046 0.000 1.626 196 M HN 0.073 nan 8.290 nan 0.000 0.623 197 T N 1.734 116.310 114.554 0.036 0.000 2.899 197 T HA 0.585 4.935 4.350 -0.000 0.000 0.284 197 T C -0.151 174.573 174.700 0.040 0.000 1.004 197 T CA -0.301 61.821 62.100 0.036 0.000 1.043 197 T CB 1.337 70.221 68.868 0.026 0.000 1.013 197 T HN 0.344 nan 8.240 nan 0.000 0.518 198 A N 1.173 124.023 122.820 0.050 0.000 2.520 198 A HA 0.333 4.652 4.320 -0.000 0.000 0.245 198 A C 1.171 178.786 177.584 0.052 0.000 1.072 198 A CA -0.680 51.391 52.037 0.056 0.000 0.761 198 A CB -0.874 18.171 19.000 0.074 0.000 1.004 198 A HN 1.101 nan 8.150 nan 0.000 0.499 199 C N 2.350 121.677 119.300 0.045 0.000 2.694 199 C HA 0.500 4.959 4.460 -0.000 0.000 0.324 199 C C 1.814 176.839 174.990 0.059 0.000 1.813 199 C CA -0.611 58.428 59.018 0.036 0.000 2.009 199 C CB -0.434 27.318 27.740 0.019 0.000 1.939 199 C HN 0.723 nan 8.230 nan 0.000 0.551 200 I N 0.349 120.953 120.570 0.056 0.000 2.353 200 I HA -0.047 4.123 4.170 -0.000 0.000 0.248 200 I C 2.555 178.736 176.117 0.106 0.000 1.119 200 I CA 1.603 62.961 61.300 0.097 0.000 1.417 200 I CB -1.528 36.523 38.000 0.086 0.000 1.078 200 I HN 0.804 nan 8.210 nan 0.000 0.421 201 E N 0.271 120.509 120.200 0.063 0.000 2.274 201 E HA -0.128 4.221 4.350 -0.000 0.000 0.194 201 E C 2.322 178.954 176.600 0.053 0.000 0.996 201 E CA 0.784 57.215 56.400 0.050 0.000 0.840 201 E CB -0.040 29.670 29.700 0.017 0.000 0.772 201 E HN 0.418 nan 8.360 nan 0.000 0.491 202 C N -0.315 119.019 119.300 0.056 0.000 2.548 202 C HA -0.098 4.361 4.460 -0.000 0.000 0.284 202 C C 2.108 177.135 174.990 0.061 0.000 1.252 202 C CA 1.488 60.538 59.018 0.053 0.000 1.725 202 C CB -1.256 26.517 27.740 0.055 0.000 2.098 202 C HN 0.537 nan 8.230 nan 0.000 0.471 203 T N 0.288 114.889 114.554 0.079 0.000 3.535 203 T HA 0.150 4.499 4.350 -0.000 0.000 0.238 203 T C 0.881 175.634 174.700 0.089 0.000 0.909 203 T CA 0.025 62.167 62.100 0.069 0.000 0.928 203 T CB -0.453 68.465 68.868 0.083 0.000 1.134 203 T HN 0.293 nan 8.240 nan 0.000 0.627 204 L N 1.000 122.291 121.223 0.113 0.000 2.201 204 L HA 0.149 4.489 4.340 -0.000 0.000 0.212 204 L C 1.989 178.975 176.870 0.194 0.000 1.105 204 L CA 1.587 56.540 54.840 0.188 0.000 0.775 204 L CB -0.462 41.669 42.059 0.121 0.000 0.913 204 L HN 0.354 nan 8.230 nan 0.000 0.440 205 E N -0.742 119.515 120.200 0.095 0.000 2.489 205 E HA -0.014 4.336 4.350 -0.000 0.000 0.193 205 E C 1.926 178.550 176.600 0.040 0.000 1.057 205 E CA 0.020 56.465 56.400 0.075 0.000 0.866 205 E CB -0.013 29.710 29.700 0.038 0.000 0.916 205 E HN 0.522 nan 8.360 nan 0.000 0.500 206 L N 0.390 121.599 121.223 -0.024 0.000 2.465 206 L HA -0.037 4.302 4.340 -0.000 0.000 0.224 206 L C 0.383 177.165 176.870 -0.146 0.000 1.145 206 L CA 0.438 55.214 54.840 -0.106 0.000 0.834 206 L CB -0.156 41.801 42.059 -0.170 0.000 0.944 206 L HN 0.148 nan 8.230 nan 0.000 0.451 207 Y N 0.473 120.815 120.300 0.069 0.000 2.319 207 Y HA 0.180 4.730 4.550 -0.000 0.000 0.328 207 Y C -1.505 174.424 175.900 0.049 0.000 1.133 207 Y CA -2.265 55.873 58.100 0.063 0.000 1.265 207 Y CB 0.046 38.536 38.460 0.050 0.000 1.218 207 Y HN -0.048 nan 8.280 nan 0.000 0.508 208 P HA 0.105 nan 4.420 nan 0.000 0.271 208 P C -2.579 174.790 177.300 0.114 0.000 1.244 208 P CA -1.012 62.165 63.100 0.128 0.000 0.793 208 P CB -0.028 31.742 31.700 0.117 0.000 0.984 209 P HA 0.185 nan 4.420 nan 0.000 0.293 209 P C -0.916 176.417 177.300 0.055 0.000 1.313 209 P CA -0.497 62.641 63.100 0.064 0.000 0.787 209 P CB 0.292 32.026 31.700 0.057 0.000 0.910 210 Q N 1.728 121.550 119.800 0.036 0.000 2.262 210 Q HA 0.173 4.513 4.340 -0.000 0.000 0.272 210 Q C -0.497 175.512 176.000 0.014 0.000 1.076 210 Q CA -0.603 55.208 55.803 0.014 0.000 0.905 210 Q CB 0.102 28.832 28.738 -0.013 0.000 1.182 210 Q HN 0.148 nan 8.270 nan 0.000 0.390 211 V N 4.102 124.027 119.914 0.020 0.000 2.420 211 V HA -0.071 4.049 4.120 -0.000 0.000 0.274 211 V C 0.137 176.216 176.094 -0.025 0.000 1.003 211 V CA 0.382 62.714 62.300 0.053 0.000 1.092 211 V CB -0.825 31.061 31.823 0.105 0.000 1.002 211 V HN 0.839 nan 8.190 nan 0.000 0.473 212 N N 4.890 123.616 118.700 0.044 0.000 2.443 212 N HA 0.440 5.180 4.740 -0.000 0.000 0.269 212 N C -0.602 175.027 175.510 0.198 0.000 0.985 212 N CA -0.620 52.434 53.050 0.008 0.000 0.921 212 N CB 0.877 39.369 38.487 0.009 0.000 1.195 212 N HN 0.565 nan 8.380 nan 0.000 0.492 213 F N 2.940 122.906 119.950 0.027 0.000 2.504 213 F HA 0.202 4.729 4.527 -0.000 0.000 0.369 213 F C -1.583 174.201 175.800 -0.026 0.000 1.082 213 F CA -1.892 56.107 58.000 -0.001 0.000 1.216 213 F CB 0.506 39.507 39.000 0.003 0.000 1.108 213 F HN 0.241 nan 8.300 nan 0.000 0.554 214 P HA 0.031 nan 4.420 nan 0.000 0.276 214 P C 0.742 178.063 177.300 0.035 0.000 1.264 214 P CA -0.060 63.074 63.100 0.057 0.000 0.769 214 P CB 0.786 32.497 31.700 0.017 0.000 0.840 215 M N 3.640 123.273 119.600 0.054 0.000 2.192 215 M HA -0.331 4.148 4.480 -0.000 0.000 0.256 215 M C 1.639 177.954 176.300 0.024 0.000 1.076 215 M CA 2.369 57.702 55.300 0.055 0.000 1.075 215 M CB -0.341 32.294 32.600 0.059 0.000 1.368 215 M HN 0.444 nan 8.290 nan 0.000 0.406 216 A N 0.329 123.153 122.820 0.005 0.000 1.859 216 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 216 A C 2.175 179.728 177.584 -0.052 0.000 1.209 216 A CA 3.298 55.328 52.037 -0.011 0.000 0.639 216 A CB -1.768 17.224 19.000 -0.013 0.000 0.835 216 A HN 0.727 nan 8.150 nan 0.000 0.450 217 T N -1.457 113.034 114.554 -0.106 0.000 2.803 217 T HA -0.098 4.251 4.350 -0.000 0.000 0.269 217 T C 1.743 176.297 174.700 -0.243 0.000 1.052 217 T CA 1.601 63.582 62.100 -0.198 0.000 1.136 217 T CB -0.717 67.953 68.868 -0.331 0.000 0.864 217 T HN 0.386 nan 8.240 nan 0.000 0.467 218 I N 1.147 121.613 120.570 -0.173 0.000 2.493 218 I HA 0.006 4.175 4.170 -0.000 0.000 0.254 218 I C 2.847 178.928 176.117 -0.059 0.000 1.160 218 I CA 1.198 62.452 61.300 -0.078 0.000 1.445 218 I CB -0.333 37.724 38.000 0.096 0.000 1.086 218 I HN 0.436 nan 8.210 nan 0.000 0.433 219 A N -1.148 121.644 122.820 -0.046 0.000 2.127 219 A HA 0.145 4.464 4.320 -0.000 0.000 0.204 219 A C 2.192 179.714 177.584 -0.104 0.000 1.243 219 A CA 0.325 52.330 52.037 -0.053 0.000 0.887 219 A CB 0.118 19.190 19.000 0.121 0.000 0.933 219 A HN 0.230 nan 8.150 nan 0.000 0.479 220 S N -0.127 115.528 115.700 -0.076 0.000 2.510 220 S HA 0.224 4.694 4.470 -0.000 0.000 0.230 220 S C 0.775 175.364 174.600 -0.018 0.000 1.066 220 S CA 0.825 59.013 58.200 -0.021 0.000 0.941 220 S CB 0.010 63.209 63.200 -0.002 0.000 0.829 220 S HN 0.657 nan 8.310 nan 0.000 0.530 221 M N 0.954 120.499 119.600 -0.091 0.000 1.949 221 M HA 0.534 5.014 4.480 -0.000 0.000 0.234 221 M C -3.512 172.698 176.300 -0.151 0.000 0.855 221 M CA -1.852 53.406 55.300 -0.071 0.000 0.800 221 M CB 1.471 34.055 32.600 -0.027 0.000 1.697 221 M HN -0.239 nan 8.290 nan 0.000 0.357 222 P HA 0.452 nan 4.420 nan 0.000 0.276 222 P C -0.337 176.962 177.300 -0.002 0.000 1.244 222 P CA -0.291 62.704 63.100 -0.176 0.000 0.801 222 P CB 1.034 32.484 31.700 -0.417 0.000 1.006 223 R N 0.268 120.860 120.500 0.154 0.000 2.769 223 R HA 0.290 4.630 4.340 -0.000 0.000 0.191 223 R C 0.041 176.293 176.300 -0.080 0.000 0.881 223 R CA -0.091 56.036 56.100 0.045 0.000 1.133 223 R CB 0.067 30.406 30.300 0.064 0.000 1.607 223 R HN 0.275 nan 8.270 nan 0.000 0.613 224 L N 1.764 122.812 121.223 -0.291 0.000 2.334 224 L HA 0.441 4.781 4.340 -0.000 0.000 0.272 224 L C -1.947 174.773 176.870 -0.249 0.000 1.020 224 L CA -2.367 52.248 54.840 -0.375 0.000 0.812 224 L CB 1.396 43.055 42.059 -0.667 0.000 1.264 224 L HN -0.294 nan 8.230 nan 0.000 0.439 225 P HA -0.156 nan 4.420 nan 0.000 0.218 225 P C 0.855 178.147 177.300 -0.013 0.000 1.146 225 P CA 1.071 64.147 63.100 -0.040 0.000 0.813 225 P CB 0.346 32.045 31.700 -0.002 0.000 0.778 226 E N -1.385 118.781 120.200 -0.057 0.000 2.058 226 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 226 E C 1.860 178.585 176.600 0.208 0.000 0.997 226 E CA 1.270 57.724 56.400 0.090 0.000 0.801 226 E CB -0.958 28.829 29.700 0.145 0.000 0.746 226 E HN 0.530 nan 8.360 nan 0.000 0.450 227 H N -1.300 117.769 119.070 -0.002 0.000 2.457 227 H HA -0.093 4.463 4.556 -0.000 0.000 0.297 227 H C 1.778 177.115 175.328 0.015 0.000 1.092 227 H CA 0.685 56.708 56.048 -0.042 0.000 1.309 227 H CB 0.004 29.636 29.762 -0.216 0.000 1.382 227 H HN 0.228 nan 8.280 nan 0.000 0.535 228 C N 0.248 119.614 119.300 0.110 0.000 2.518 228 C HA -0.059 4.400 4.460 -0.000 0.000 0.279 228 C C 2.685 177.774 174.990 0.165 0.000 1.279 228 C CA 0.221 59.281 59.018 0.070 0.000 1.703 228 C CB -0.643 27.103 27.740 0.010 0.000 2.072 228 C HN 0.479 nan 8.230 nan 0.000 0.487 229 I N 1.222 121.879 120.570 0.145 0.000 2.069 229 I HA -0.262 3.908 4.170 -0.000 0.000 0.237 229 I C 2.611 178.835 176.117 0.178 0.000 1.053 229 I CA 2.123 63.512 61.300 0.148 0.000 1.311 229 I CB -0.841 37.239 38.000 0.133 0.000 1.030 229 I HN 0.302 nan 8.210 nan 0.000 0.398 230 E N 0.391 120.722 120.200 0.220 0.000 2.253 230 E HA -0.309 4.040 4.350 -0.000 0.000 0.202 230 E C 1.870 178.596 176.600 0.211 0.000 1.014 230 E CA 1.686 58.217 56.400 0.217 0.000 0.823 230 E CB -0.387 29.533 29.700 0.367 0.000 0.736 230 E HN 0.588 nan 8.360 nan 0.000 0.478 231 Y N -0.554 119.807 120.300 0.102 0.000 2.153 231 Y HA -0.053 4.497 4.550 -0.000 0.000 0.289 231 Y C 2.015 177.969 175.900 0.091 0.000 1.119 231 Y CA 1.484 59.627 58.100 0.072 0.000 1.116 231 Y CB -0.486 37.988 38.460 0.023 0.000 1.004 231 Y HN -0.083 nan 8.280 nan 0.000 0.501 232 V N 2.191 122.175 119.914 0.117 0.000 2.944 232 V HA -0.272 3.848 4.120 -0.000 0.000 0.265 232 V C 2.314 178.473 176.094 0.108 0.000 1.125 232 V CA 2.266 64.583 62.300 0.028 0.000 1.145 232 V CB -0.913 30.940 31.823 0.050 0.000 0.725 232 V HN 0.465 nan 8.190 nan 0.000 0.510 233 R N -0.384 120.162 120.500 0.075 0.000 2.076 233 R HA 0.134 4.474 4.340 -0.000 0.000 0.203 233 R C 2.260 178.577 176.300 0.028 0.000 1.229 233 R CA 0.613 56.757 56.100 0.072 0.000 1.094 233 R CB -0.252 30.064 30.300 0.026 0.000 0.991 233 R HN 0.374 nan 8.270 nan 0.000 0.471 234 M N 0.708 120.311 119.600 0.005 0.000 2.446 234 M HA -0.056 4.423 4.480 -0.000 0.000 0.263 234 M C 0.776 177.066 176.300 -0.018 0.000 1.066 234 M CA 1.517 56.817 55.300 -0.001 0.000 1.087 234 M CB 0.314 32.929 32.600 0.025 0.000 1.406 234 M HN 0.345 nan 8.290 nan 0.000 0.459 235 L N -2.663 118.497 121.223 -0.106 0.000 2.678 235 L HA 0.055 4.394 4.340 -0.000 0.000 0.187 235 L C 2.126 178.911 176.870 -0.142 0.000 1.073 235 L CA 0.077 54.823 54.840 -0.157 0.000 0.883 235 L CB -0.715 41.173 42.059 -0.284 0.000 1.501 235 L HN 0.074 nan 8.230 nan 0.000 0.488 236 Q N 0.276 119.885 119.800 -0.319 0.000 2.197 236 Q HA -0.264 4.076 4.340 -0.000 0.000 0.207 236 Q C 2.022 178.171 176.000 0.247 0.000 0.984 236 Q CA 2.278 58.037 55.803 -0.074 0.000 0.869 236 Q CB -0.076 28.598 28.738 -0.106 0.000 0.906 236 Q HN 0.591 nan 8.270 nan 0.000 0.426 237 W N 1.016 122.399 121.300 0.138 0.000 2.413 237 W HA -0.011 4.649 4.660 -0.000 0.000 0.315 237 W C -1.203 175.321 176.519 0.007 0.000 1.186 237 W CA 1.029 58.456 57.345 0.137 0.000 1.326 237 W CB -1.423 28.121 29.460 0.140 0.000 1.153 237 W HN 0.113 nan 8.180 nan 0.000 0.489 238 P HA -0.180 nan 4.420 nan 0.000 0.221 238 P C 1.328 178.665 177.300 0.063 0.000 1.145 238 P CA 2.280 65.505 63.100 0.208 0.000 0.795 238 P CB -0.112 31.684 31.700 0.159 0.000 0.775 239 K N 1.226 121.653 120.400 0.045 0.000 1.992 239 K HA -0.089 4.231 4.320 -0.000 0.000 0.210 239 K C 1.160 177.740 176.600 -0.033 0.000 1.036 239 K CA 1.235 57.529 56.287 0.012 0.000 0.946 239 K CB -0.688 31.828 32.500 0.026 0.000 0.742 239 K HN 0.108 nan 8.250 nan 0.000 0.442 240 E N 2.088 122.263 120.200 -0.042 0.000 2.422 240 E HA 0.030 4.380 4.350 -0.000 0.000 0.267 240 E C -0.777 175.656 176.600 -0.279 0.000 1.466 240 E CA -0.279 56.061 56.400 -0.100 0.000 1.767 240 E CB -0.261 29.427 29.700 -0.019 0.000 1.471 240 E HN 0.120 nan 8.360 nan 0.000 0.446 241 Q N 0.497 120.100 119.800 -0.328 0.000 2.524 241 Q HA -0.176 4.164 4.340 -0.000 0.000 0.241 241 Q C -1.590 173.972 176.000 -0.730 0.000 1.234 241 Q CA 0.292 55.787 55.803 -0.513 0.000 0.852 241 Q CB -0.443 28.122 28.738 -0.288 0.000 0.965 241 Q HN 0.456 nan 8.270 nan 0.000 0.331 242 P HA -0.188 nan 4.420 nan 0.000 0.216 242 P C 0.123 176.668 177.300 -1.258 0.000 1.167 242 P CA 1.496 63.634 63.100 -1.602 0.000 0.914 242 P CB 0.104 30.195 31.700 -2.682 0.000 0.793 243 F N -0.868 118.550 119.950 -0.886 0.000 2.389 243 F HA 0.561 5.088 4.527 -0.000 0.000 0.327 243 F C 1.073 176.708 175.800 -0.275 0.000 1.204 243 F CA -0.285 57.461 58.000 -0.423 0.000 1.209 243 F CB 0.199 39.072 39.000 -0.212 0.000 1.460 243 F HN -0.013 nan 8.300 nan 0.000 0.537 244 G N 0.978 109.679 108.800 -0.164 0.000 2.733 244 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 244 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 244 G C -0.503 174.327 174.900 -0.117 0.000 1.373 244 G CA -1.126 43.913 45.100 -0.102 0.000 0.838 244 G HN 0.414 nan 8.290 nan 0.000 0.588 245 E N 0.106 120.256 120.200 -0.083 0.000 2.392 245 E HA 0.429 4.779 4.350 -0.000 0.000 0.259 245 E C 1.554 178.139 176.600 -0.024 0.000 1.108 245 E CA 0.679 57.038 56.400 -0.067 0.000 0.916 245 E CB 0.717 30.387 29.700 -0.050 0.000 0.989 245 E HN 2.076 nan 8.360 nan 0.000 0.432 246 G N 1.002 109.799 108.800 -0.006 0.000 2.451 246 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.253 246 G HA3 -0.351 3.608 3.960 -0.000 0.000 0.253 246 G C 0.488 175.428 174.900 0.067 0.000 1.033 246 G CA 0.460 45.577 45.100 0.028 0.000 0.633 246 G HN 0.433 nan 8.290 nan 0.000 0.537 247 V N 3.467 123.424 119.914 0.071 0.000 2.509 247 V HA 0.298 4.417 4.120 -0.000 0.000 0.297 247 V C -0.919 175.342 176.094 0.278 0.000 1.014 247 V CA -0.286 62.098 62.300 0.140 0.000 1.127 247 V CB 0.617 32.520 31.823 0.134 0.000 0.925 247 V HN 0.285 nan 8.190 nan 0.000 0.480 248 P HA 0.242 nan 4.420 nan 0.000 0.274 248 P C -0.605 176.816 177.300 0.202 0.000 1.256 248 P CA -0.721 62.511 63.100 0.221 0.000 0.795 248 P CB 0.502 32.254 31.700 0.087 0.000 1.038 249 L N 1.681 122.754 121.223 -0.250 0.000 2.312 249 L HA 0.264 4.604 4.340 -0.000 0.000 0.287 249 L C -0.386 176.338 176.870 -0.243 0.000 1.091 249 L CA -0.241 54.102 54.840 -0.829 0.000 0.846 249 L CB -1.063 40.139 42.059 -1.428 0.000 1.219 249 L HN 0.165 nan 8.230 nan 0.000 0.439 250 D N 3.301 123.796 120.400 0.158 0.000 2.435 250 D HA 0.240 4.880 4.640 -0.000 0.000 0.230 250 D C 1.519 177.800 176.300 -0.032 0.000 1.215 250 D CA 0.632 54.643 54.000 0.018 0.000 0.947 250 D CB 1.007 41.729 40.800 -0.130 0.000 1.048 250 D HN 0.729 nan 8.370 nan 0.000 0.512 251 G N 3.291 112.043 108.800 -0.079 0.000 2.517 251 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.222 251 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.222 251 G C 1.109 175.970 174.900 -0.064 0.000 1.109 251 G CA 0.622 45.676 45.100 -0.076 0.000 0.746 251 G HN 0.551 nan 8.290 nan 0.000 0.576 252 D N 0.051 120.403 120.400 -0.080 0.000 2.333 252 D HA -0.024 4.616 4.640 -0.000 0.000 0.208 252 D C 0.325 176.572 176.300 -0.089 0.000 0.984 252 D CA 0.088 54.044 54.000 -0.074 0.000 0.873 252 D CB 0.176 40.932 40.800 -0.073 0.000 0.935 252 D HN 0.218 nan 8.370 nan 0.000 0.521 253 D N 1.502 121.799 120.400 -0.171 0.000 2.383 253 D HA 0.029 4.669 4.640 -0.000 0.000 0.245 253 D C -1.604 174.636 176.300 -0.100 0.000 1.263 253 D CA -1.955 51.889 54.000 -0.260 0.000 0.936 253 D CB 1.802 42.179 40.800 -0.705 0.000 1.053 253 D HN -0.121 nan 8.370 nan 0.000 0.507 254 P HA -0.242 nan 4.420 nan 0.000 0.219 254 P C 0.944 178.383 177.300 0.231 0.000 1.159 254 P CA 1.598 64.789 63.100 0.151 0.000 0.944 254 P CB 0.207 31.968 31.700 0.102 0.000 0.792 255 E N -2.112 118.191 120.200 0.173 0.000 2.187 255 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 255 E C 1.998 178.950 176.600 0.587 0.000 1.004 255 E CA 1.114 57.714 56.400 0.333 0.000 0.813 255 E CB -0.501 29.360 29.700 0.268 0.000 0.736 255 E HN 0.578 nan 8.360 nan 0.000 0.468 256 H N -0.062 119.147 119.070 0.232 0.000 2.307 256 H HA -0.032 4.524 4.556 -0.000 0.000 0.303 256 H C 2.347 177.980 175.328 0.509 0.000 1.073 256 H CA 0.893 57.175 56.048 0.390 0.000 1.338 256 H CB 0.103 29.902 29.762 0.061 0.000 1.389 256 H HN 0.096 nan 8.280 nan 0.000 0.503 257 I N 0.774 121.623 120.570 0.465 0.000 2.179 257 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 257 I C 2.709 179.167 176.117 0.569 0.000 1.088 257 I CA 1.118 62.643 61.300 0.375 0.000 1.357 257 I CB -0.233 37.863 38.000 0.160 0.000 1.051 257 I HN 0.220 nan 8.210 nan 0.000 0.409 258 Q N 0.590 120.774 119.800 0.641 0.000 2.112 258 Q HA -0.284 4.055 4.340 -0.000 0.000 0.206 258 Q C 1.888 178.252 176.000 0.607 0.000 0.987 258 Q CA 2.211 58.381 55.803 0.612 0.000 0.858 258 Q CB -0.580 28.404 28.738 0.410 0.000 0.905 258 Q HN 0.585 nan 8.270 nan 0.000 0.420 259 W N 0.106 121.675 121.300 0.448 0.000 2.380 259 W HA -0.077 4.582 4.660 -0.001 0.000 0.317 259 W C 1.777 178.494 176.519 0.331 0.000 1.196 259 W CA 1.760 59.324 57.345 0.364 0.000 1.307 259 W CB -0.425 29.292 29.460 0.428 0.000 1.157 259 W HN 0.172 nan 8.180 nan 0.000 0.483 260 I N 0.229 121.140 120.570 0.568 0.000 2.248 260 I HA -0.332 3.838 4.170 -0.000 0.000 0.248 260 I C 2.432 178.631 176.117 0.137 0.000 1.107 260 I CA 1.687 63.143 61.300 0.260 0.000 1.373 260 I CB -0.926 37.296 38.000 0.369 0.000 1.055 260 I HN 0.057 nan 8.210 nan 0.000 0.418 261 F N 2.027 122.059 119.950 0.137 0.000 2.051 261 F HA -0.308 4.219 4.527 -0.000 0.000 0.296 261 F C 2.639 178.464 175.800 0.043 0.000 1.122 261 F CA 2.165 60.242 58.000 0.128 0.000 1.201 261 F CB -0.721 38.457 39.000 0.297 0.000 0.978 261 F HN -0.024 nan 8.300 nan 0.000 0.472 262 Q N 0.885 120.601 119.800 -0.140 0.000 2.077 262 Q HA -0.216 4.123 4.340 -0.000 0.000 0.206 262 Q C 2.095 177.875 176.000 -0.366 0.000 0.989 262 Q CA 2.199 57.816 55.803 -0.311 0.000 0.853 262 Q CB -0.277 28.391 28.738 -0.117 0.000 0.907 262 Q HN 0.232 nan 8.270 nan 0.000 0.418 263 K N -0.532 119.600 120.400 -0.447 0.000 2.155 263 K HA 0.050 4.369 4.320 -0.000 0.000 0.203 263 K C 2.207 178.672 176.600 -0.225 0.000 1.052 263 K CA 1.160 57.188 56.287 -0.433 0.000 0.948 263 K CB -0.251 31.778 32.500 -0.785 0.000 0.728 263 K HN 0.128 nan 8.250 nan 0.000 0.448 264 S N 1.628 117.221 115.700 -0.178 0.000 2.428 264 S HA 0.016 4.486 4.470 -0.000 0.000 0.230 264 S C 1.903 176.426 174.600 -0.129 0.000 1.014 264 S CA 0.384 58.542 58.200 -0.071 0.000 0.957 264 S CB -0.052 63.151 63.200 0.006 0.000 0.784 264 S HN 0.198 nan 8.310 nan 0.000 0.499 265 L N 1.294 122.350 121.223 -0.279 0.000 2.093 265 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 265 L C 2.322 179.088 176.870 -0.173 0.000 1.085 265 L CA 1.371 56.026 54.840 -0.308 0.000 0.755 265 L CB -0.239 41.477 42.059 -0.571 0.000 0.904 265 L HN 0.359 nan 8.230 nan 0.000 0.435 266 E N -0.727 119.378 120.200 -0.159 0.000 2.072 266 E HA -0.251 4.098 4.350 -0.000 0.000 0.190 266 E C 2.135 178.715 176.600 -0.033 0.000 0.982 266 E CA 0.706 57.051 56.400 -0.091 0.000 0.803 266 E CB 0.010 29.653 29.700 -0.096 0.000 0.755 266 E HN 0.241 nan 8.360 nan 0.000 0.453 267 R N 1.380 121.867 120.500 -0.021 0.000 2.073 267 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 267 R C 2.139 178.474 176.300 0.059 0.000 1.134 267 R CA 1.647 57.764 56.100 0.029 0.000 0.952 267 R CB -0.620 29.684 30.300 0.007 0.000 0.850 267 R HN 0.155 nan 8.270 nan 0.000 0.433 268 A N -0.530 122.295 122.820 0.008 0.000 1.892 268 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 268 A C 2.304 179.918 177.584 0.050 0.000 1.188 268 A CA 2.220 54.270 52.037 0.021 0.000 0.631 268 A CB -1.257 17.737 19.000 -0.010 0.000 0.822 268 A HN 0.495 nan 8.150 nan 0.000 0.447 269 S N -1.002 114.708 115.700 0.017 0.000 2.370 269 S HA -0.254 4.216 4.470 -0.000 0.000 0.226 269 S C 2.166 176.778 174.600 0.020 0.000 1.033 269 S CA 1.773 59.978 58.200 0.008 0.000 1.011 269 S CB -0.413 62.776 63.200 -0.018 0.000 0.852 269 S HN 0.678 nan 8.310 nan 0.000 0.457 270 Q N -0.823 119.005 119.800 0.047 0.000 2.014 270 Q HA -0.161 4.179 4.340 -0.000 0.000 0.207 270 Q C 1.200 177.140 176.000 -0.100 0.000 0.993 270 Q CA 2.010 57.804 55.803 -0.016 0.000 0.850 270 Q CB -0.293 28.475 28.738 0.050 0.000 0.916 270 Q HN 0.715 nan 8.270 nan 0.000 0.417 271 Y N 1.375 121.641 120.300 -0.057 0.000 2.470 271 Y HA 0.047 4.597 4.550 -0.000 0.000 0.284 271 Y C 0.152 176.029 175.900 -0.037 0.000 1.188 271 Y CA -0.109 57.962 58.100 -0.049 0.000 1.269 271 Y CB -0.692 37.734 38.460 -0.057 0.000 1.094 271 Y HN 0.283 nan 8.280 nan 0.000 0.518 272 N N 0.565 119.314 118.700 0.081 0.000 2.678 272 N HA -0.281 4.458 4.740 -0.000 0.000 0.268 272 N C -0.855 174.682 175.510 0.045 0.000 1.010 272 N CA 0.697 53.771 53.050 0.041 0.000 0.784 272 N CB -1.648 36.845 38.487 0.010 0.000 0.905 272 N HN 0.498 nan 8.380 nan 0.000 0.552 273 I N 0.842 121.441 120.570 0.049 0.000 2.330 273 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 273 I C 1.023 177.148 176.117 0.014 0.000 1.001 273 I CA -0.720 60.596 61.300 0.026 0.000 1.193 273 I CB 1.002 39.010 38.000 0.013 0.000 1.345 273 I HN 0.043 nan 8.210 nan 0.000 0.461 274 R N 3.839 124.346 120.500 0.012 0.000 2.528 274 R HA 0.612 4.951 4.340 -0.000 0.000 0.271 274 R C 0.787 177.097 176.300 0.017 0.000 1.056 274 R CA -0.150 55.960 56.100 0.016 0.000 1.117 274 R CB 0.858 31.168 30.300 0.017 0.000 1.085 274 R HN 0.939 nan 8.270 nan 0.000 0.530 275 G N 0.165 108.985 108.800 0.033 0.000 2.151 275 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.140 275 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.140 275 G C -0.440 174.501 174.900 0.068 0.000 1.020 275 G CA -0.623 44.503 45.100 0.042 0.000 0.688 275 G HN 0.370 nan 8.290 nan 0.000 0.500 276 V N 1.911 121.878 119.914 0.090 0.000 2.353 276 V HA 0.666 4.786 4.120 -0.000 0.000 0.264 276 V C 0.708 176.985 176.094 0.306 0.000 1.049 276 V CA 0.531 62.922 62.300 0.152 0.000 0.896 276 V CB 1.105 32.979 31.823 0.086 0.000 1.025 276 V HN 0.443 nan 8.190 nan 0.000 0.475 277 T N 3.400 118.128 114.554 0.290 0.000 2.888 277 T HA 0.370 4.719 4.350 -0.000 0.000 0.284 277 T C 0.630 175.439 174.700 0.181 0.000 1.017 277 T CA -0.342 61.926 62.100 0.280 0.000 1.022 277 T CB 1.102 70.047 68.868 0.129 0.000 1.013 277 T HN 0.529 nan 8.240 nan 0.000 0.465 278 Y N 4.232 124.303 120.300 -0.382 0.000 2.069 278 Y HA -0.182 4.367 4.550 -0.001 0.000 0.278 278 Y C 2.695 178.475 175.900 -0.199 0.000 1.175 278 Y CA 2.552 60.245 58.100 -0.678 0.000 1.134 278 Y CB -0.198 37.792 38.460 -0.784 0.000 0.965 278 Y HN 0.753 nan 8.280 nan 0.000 0.498 279 R N -0.242 120.195 120.500 -0.105 0.000 2.133 279 R HA -0.235 4.104 4.340 -0.000 0.000 0.247 279 R C 2.193 178.430 176.300 -0.105 0.000 1.151 279 R CA 1.982 58.016 56.100 -0.110 0.000 0.971 279 R CB -0.649 29.643 30.300 -0.013 0.000 0.866 279 R HN 0.495 nan 8.270 nan 0.000 0.447 280 L N 0.457 121.659 121.223 -0.035 0.000 2.109 280 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 280 L C 1.862 178.726 176.870 -0.009 0.000 1.086 280 L CA 1.967 56.809 54.840 0.002 0.000 0.760 280 L CB -0.548 41.544 42.059 0.056 0.000 0.910 280 L HN 0.114 nan 8.230 nan 0.000 0.437 281 T N -0.606 113.944 114.554 -0.007 0.000 2.759 281 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 281 T C 1.809 176.452 174.700 -0.094 0.000 1.042 281 T CA 1.790 63.898 62.100 0.014 0.000 1.140 281 T CB -0.204 68.728 68.868 0.108 0.000 0.864 281 T HN 0.491 nan 8.240 nan 0.000 0.455 282 Q N 0.284 119.947 119.800 -0.229 0.000 2.046 282 Q HA -0.016 4.324 4.340 -0.000 0.000 0.200 282 Q C 2.832 178.765 176.000 -0.112 0.000 0.975 282 Q CA 1.320 56.995 55.803 -0.212 0.000 0.836 282 Q CB -0.583 27.985 28.738 -0.284 0.000 0.896 282 Q HN 0.605 nan 8.270 nan 0.000 0.428 283 G N 0.777 109.526 108.800 -0.086 0.000 2.553 283 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 283 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 283 G C 1.535 176.413 174.900 -0.036 0.000 1.195 283 G CA 1.446 46.517 45.100 -0.048 0.000 0.779 283 G HN 0.239 nan 8.290 nan 0.000 0.577 284 V N 0.397 120.302 119.914 -0.015 0.000 2.255 284 V HA -0.197 3.922 4.120 -0.000 0.000 0.247 284 V C 3.036 179.110 176.094 -0.034 0.000 1.051 284 V CA 1.702 63.999 62.300 -0.004 0.000 1.018 284 V CB -0.769 31.084 31.823 0.051 0.000 0.641 284 V HN 0.253 nan 8.190 nan 0.000 0.445 285 V N -0.272 119.620 119.914 -0.035 0.000 2.261 285 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 285 V C 2.238 178.289 176.094 -0.073 0.000 1.047 285 V CA 2.070 64.337 62.300 -0.054 0.000 1.015 285 V CB -0.639 31.153 31.823 -0.051 0.000 0.642 285 V HN 0.513 nan 8.190 nan 0.000 0.446 286 K N -0.688 119.668 120.400 -0.073 0.000 2.444 286 K HA 0.124 4.444 4.320 -0.000 0.000 0.193 286 K C 0.103 176.663 176.600 -0.067 0.000 1.024 286 K CA -0.210 56.034 56.287 -0.073 0.000 1.077 286 K CB 0.210 32.667 32.500 -0.072 0.000 0.833 286 K HN 0.164 nan 8.250 nan 0.000 0.517 287 R N 1.161 121.622 120.500 -0.066 0.000 3.188 287 R HA -0.177 4.163 4.340 -0.000 0.000 0.247 287 R C -0.422 175.847 176.300 -0.052 0.000 0.918 287 R CA 0.615 56.676 56.100 -0.064 0.000 0.629 287 R CB -2.620 27.637 30.300 -0.073 0.000 1.087 287 R HN 0.332 nan 8.270 nan 0.000 0.462 288 I N 1.080 121.622 120.570 -0.047 0.000 2.696 288 I HA 0.144 4.314 4.170 -0.000 0.000 0.284 288 I C 1.325 177.423 176.117 -0.032 0.000 1.129 288 I CA 0.080 61.355 61.300 -0.042 0.000 1.410 288 I CB 0.525 38.498 38.000 -0.044 0.000 1.399 288 I HN 0.061 nan 8.210 nan 0.000 0.579 289 I N 6.094 126.644 120.570 -0.032 0.000 2.382 289 I HA 0.306 4.476 4.170 -0.000 0.000 0.285 289 I C -2.184 173.911 176.117 -0.036 0.000 1.007 289 I CA -1.932 59.353 61.300 -0.026 0.000 1.142 289 I CB 1.203 39.189 38.000 -0.024 0.000 1.289 289 I HN 0.324 nan 8.210 nan 0.000 0.453 290 P HA 0.256 nan 4.420 nan 0.000 0.264 290 P C -0.710 176.534 177.300 -0.093 0.000 1.183 290 P CA 0.031 63.098 63.100 -0.055 0.000 0.763 290 P CB 0.673 32.349 31.700 -0.040 0.000 0.807 291 A N 1.885 124.637 122.820 -0.113 0.000 2.612 291 A HA 0.738 5.057 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 -0.430 51.519 52.037 -0.147 0.000 0.680 291 A CB 1.453 20.393 19.000 -0.100 0.000 1.279 291 A HN 0.492 nan 8.150 nan 0.000 0.411 292 V N -2.323 117.479 119.914 -0.186 0.000 3.188 292 V HA 0.865 4.984 4.120 -0.000 0.000 0.305 292 V C 0.962 176.996 176.094 -0.101 0.000 1.232 292 V CA -0.002 62.215 62.300 -0.139 0.000 1.043 292 V CB 0.896 32.612 31.823 -0.178 0.000 1.068 292 V HN 2.245 nan 8.190 nan 0.000 0.439 293 A N 1.215 124.003 122.820 -0.053 0.000 1.849 293 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 293 A C 2.253 179.814 177.584 -0.039 0.000 1.202 293 A CA 3.212 55.229 52.037 -0.033 0.000 0.629 293 A CB -1.493 17.500 19.000 -0.012 0.000 0.834 293 A HN 1.605 nan 8.150 nan 0.000 0.447 294 S N -0.415 115.280 115.700 -0.010 0.000 2.411 294 S HA -0.356 4.113 4.470 -0.000 0.000 0.293 294 S C 1.916 176.509 174.600 -0.012 0.000 1.146 294 S CA 2.498 60.717 58.200 0.031 0.000 1.337 294 S CB -1.644 61.641 63.200 0.141 0.000 1.258 294 S HN 0.719 nan 8.310 nan 0.000 0.453 295 T N 3.224 117.771 114.554 -0.011 0.000 2.580 295 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 295 T C 1.809 176.413 174.700 -0.161 0.000 1.063 295 T CA 1.557 63.614 62.100 -0.071 0.000 1.170 295 T CB -0.802 68.048 68.868 -0.031 0.000 0.863 295 T HN 0.335 nan 8.240 nan 0.000 0.418 296 N N 1.507 120.137 118.700 -0.116 0.000 2.060 296 N HA -0.170 4.570 4.740 -0.000 0.000 0.195 296 N C 2.145 177.578 175.510 -0.128 0.000 1.028 296 N CA 1.598 54.579 53.050 -0.115 0.000 0.861 296 N CB -0.792 37.644 38.487 -0.084 0.000 1.029 296 N HN 0.460 nan 8.380 nan 0.000 0.428 297 A N 1.129 123.883 122.820 -0.110 0.000 1.884 297 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 297 A C 2.600 180.084 177.584 -0.167 0.000 1.197 297 A CA 2.169 54.138 52.037 -0.113 0.000 0.637 297 A CB -1.083 17.857 19.000 -0.099 0.000 0.827 297 A HN 0.126 nan 8.150 nan 0.000 0.450 298 V N 0.532 120.297 119.914 -0.249 0.000 2.214 298 V HA -0.302 3.818 4.120 -0.000 0.000 0.245 298 V C 2.467 178.359 176.094 -0.337 0.000 1.047 298 V CA 2.033 64.109 62.300 -0.373 0.000 0.998 298 V CB -0.805 30.548 31.823 -0.783 0.000 0.633 298 V HN 0.541 nan 8.190 nan 0.000 0.446 299 I N 0.567 120.923 120.570 -0.358 0.000 2.087 299 I HA -0.336 3.834 4.170 -0.000 0.000 0.240 299 I C 2.764 178.769 176.117 -0.186 0.000 1.054 299 I CA 2.383 63.531 61.300 -0.253 0.000 1.311 299 I CB -1.776 36.103 38.000 -0.201 0.000 1.024 299 I HN 0.377 nan 8.210 nan 0.000 0.402 300 A N 0.787 123.511 122.820 -0.159 0.000 1.892 300 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 300 A C 2.515 180.025 177.584 -0.125 0.000 1.188 300 A CA 2.584 54.545 52.037 -0.128 0.000 0.631 300 A CB -0.982 17.956 19.000 -0.103 0.000 0.822 300 A HN 0.494 nan 8.150 nan 0.000 0.447 301 A N -0.968 121.772 122.820 -0.132 0.000 2.070 301 A HA 0.084 4.403 4.320 -0.000 0.000 0.220 301 A C 2.182 179.693 177.584 -0.123 0.000 1.159 301 A CA 1.720 53.684 52.037 -0.122 0.000 0.656 301 A CB -0.649 18.275 19.000 -0.127 0.000 0.800 301 A HN 0.367 nan 8.150 nan 0.000 0.453 302 V N -0.869 118.963 119.914 -0.138 0.000 2.256 302 V HA -0.265 3.854 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 1.903 64.127 62.300 -0.127 0.000 1.008 302 V CB -1.145 30.591 31.823 -0.145 0.000 0.648 302 V HN 0.703 nan 8.190 nan 0.000 0.453 303 C N 0.765 119.992 119.300 -0.123 0.000 2.391 303 C HA -0.221 4.239 4.460 -0.000 0.000 0.276 303 C C 3.051 177.983 174.990 -0.095 0.000 1.217 303 C CA 0.762 59.712 59.018 -0.113 0.000 1.766 303 C CB -1.669 25.997 27.740 -0.122 0.000 2.046 303 C HN 0.650 nan 8.230 nan 0.000 0.475 304 A N 0.877 123.637 122.820 -0.101 0.000 1.852 304 A HA -0.279 4.040 4.320 -0.000 0.000 0.217 304 A C 2.193 179.757 177.584 -0.034 0.000 1.215 304 A CA 3.086 55.067 52.037 -0.093 0.000 0.641 304 A CB -1.556 17.389 19.000 -0.093 0.000 0.838 304 A HN 0.559 nan 8.150 nan 0.000 0.450 305 T N -0.494 114.040 114.554 -0.033 0.000 2.624 305 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 305 T C 1.875 176.634 174.700 0.098 0.000 1.041 305 T CA 1.977 64.089 62.100 0.020 0.000 1.159 305 T CB -0.438 68.398 68.868 -0.054 0.000 0.863 305 T HN 0.527 nan 8.240 nan 0.000 0.434 306 E N 0.442 120.655 120.200 0.021 0.000 2.065 306 E HA -0.123 4.227 4.350 -0.000 0.000 0.201 306 E C 2.282 178.911 176.600 0.049 0.000 1.016 306 E CA 0.897 57.309 56.400 0.019 0.000 0.818 306 E CB -0.899 28.780 29.700 -0.036 0.000 0.749 306 E HN 0.290 nan 8.360 nan 0.000 0.453 307 V N 0.511 120.441 119.914 0.025 0.000 2.231 307 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 307 V C 2.139 178.343 176.094 0.184 0.000 1.054 307 V CA 2.144 64.462 62.300 0.030 0.000 1.015 307 V CB -0.674 31.078 31.823 -0.118 0.000 0.638 307 V HN 0.318 nan 8.190 nan 0.000 0.444 308 F N 0.857 120.893 119.950 0.143 0.000 2.154 308 F HA -0.235 4.291 4.527 -0.000 0.000 0.301 308 F C 2.314 178.225 175.800 0.184 0.000 1.087 308 F CA 2.005 60.184 58.000 0.298 0.000 1.274 308 F CB -0.255 38.870 39.000 0.209 0.000 1.009 308 F HN 0.056 nan 8.300 nan 0.000 0.485 309 K N 0.439 120.935 120.400 0.160 0.000 1.973 309 K HA -0.148 4.172 4.320 -0.000 0.000 0.210 309 K C 2.142 178.715 176.600 -0.044 0.000 1.045 309 K CA 2.034 58.361 56.287 0.067 0.000 0.937 309 K CB -0.515 32.065 32.500 0.132 0.000 0.721 309 K HN 0.283 nan 8.250 nan 0.000 0.438 310 I N 1.285 121.847 120.570 -0.013 0.000 2.113 310 I HA -0.366 3.804 4.170 -0.000 0.000 0.242 310 I C 2.555 178.646 176.117 -0.044 0.000 1.064 310 I CA 1.552 62.828 61.300 -0.040 0.000 1.320 310 I CB -0.502 37.493 38.000 -0.007 0.000 1.028 310 I HN 0.248 nan 8.210 nan 0.000 0.406 311 A N 0.467 123.287 122.820 -0.000 0.000 1.902 311 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 311 A C 2.373 179.876 177.584 -0.136 0.000 1.181 311 A CA 2.491 54.524 52.037 -0.007 0.000 0.623 311 A CB -0.980 18.121 19.000 0.167 0.000 0.818 311 A HN 0.563 nan 8.150 nan 0.000 0.443 312 T N -5.230 109.156 114.554 -0.281 0.000 3.051 312 T HA 0.182 4.532 4.350 -0.000 0.000 0.255 312 T C 0.752 175.417 174.700 -0.059 0.000 1.085 312 T CA 0.983 62.920 62.100 -0.272 0.000 1.109 312 T CB -0.157 68.364 68.868 -0.579 0.000 0.921 312 T HN 0.688 nan 8.240 nan 0.000 0.488 313 S N 0.455 116.122 115.700 -0.055 0.000 3.698 313 S HA -0.153 4.317 4.470 -0.000 0.000 0.338 313 S C 1.012 175.730 174.600 0.198 0.000 1.089 313 S CA 0.379 58.614 58.200 0.057 0.000 0.991 313 S CB -1.905 61.385 63.200 0.151 0.000 0.909 313 S HN 1.078 nan 8.310 nan 0.000 0.485 314 A N -1.073 121.775 122.820 0.046 0.000 2.275 314 A HA 0.575 4.895 4.320 -0.000 0.000 0.212 314 A C 0.286 177.558 177.584 -0.520 0.000 1.201 314 A CA 0.708 52.614 52.037 -0.220 0.000 0.843 314 A CB 0.201 19.232 19.000 0.051 0.000 0.873 314 A HN 0.657 nan 8.150 nan 0.000 0.492 315 Y N -2.428 117.902 120.300 0.051 0.000 2.741 315 Y HA 0.425 4.975 4.550 -0.000 0.000 0.339 315 Y C -0.947 175.000 175.900 0.079 0.000 1.226 315 Y CA -1.423 56.729 58.100 0.085 0.000 1.072 315 Y CB 0.903 39.418 38.460 0.091 0.000 1.331 315 Y HN 0.008 nan 8.280 nan 0.000 0.453 316 I N 2.135 122.885 120.570 0.301 0.000 2.396 316 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 316 I C -2.534 173.646 176.117 0.104 0.000 1.056 316 I CA -2.099 59.309 61.300 0.180 0.000 1.365 316 I CB -0.317 37.806 38.000 0.204 0.000 1.407 316 I HN 0.166 nan 8.210 nan 0.000 0.509 317 P HA 0.047 nan 4.420 nan 0.000 0.264 317 P C -0.008 177.296 177.300 0.006 0.000 1.183 317 P CA -0.383 62.719 63.100 0.003 0.000 0.763 317 P CB 0.446 32.124 31.700 -0.036 0.000 0.807 318 L N 3.104 124.318 121.223 -0.014 0.000 2.536 318 L HA -0.021 4.319 4.340 -0.000 0.000 0.294 318 L C 0.581 177.429 176.870 -0.037 0.000 1.257 318 L CA 0.422 55.241 54.840 -0.035 0.000 0.850 318 L CB 0.226 42.240 42.059 -0.074 0.000 1.105 318 L HN 0.297 nan 8.230 nan 0.000 0.517 319 N N 3.036 121.711 118.700 -0.041 0.000 2.868 319 N HA 0.049 4.789 4.740 -0.000 0.000 0.252 319 N C 0.033 175.504 175.510 -0.065 0.000 1.130 319 N CA 0.542 53.573 53.050 -0.031 0.000 1.026 319 N CB -0.480 38.006 38.487 -0.002 0.000 1.335 319 N HN 0.766 nan 8.380 nan 0.000 0.516 320 N N 0.462 119.126 118.700 -0.061 0.000 2.628 320 N HA -0.297 4.443 4.740 -0.000 0.000 0.247 320 N C -0.992 174.466 175.510 -0.086 0.000 1.157 320 N CA 1.285 54.299 53.050 -0.061 0.000 0.729 320 N CB -1.755 36.736 38.487 0.006 0.000 1.083 320 N HN 0.526 nan 8.380 nan 0.000 0.554 321 Y N -2.206 117.865 120.300 -0.381 0.000 2.643 321 Y HA 0.499 5.049 4.550 -0.000 0.000 0.347 321 Y C -1.821 173.759 175.900 -0.533 0.000 1.208 321 Y CA -1.259 56.496 58.100 -0.575 0.000 1.245 321 Y CB 0.891 38.655 38.460 -1.159 0.000 1.369 321 Y HN 0.331 nan 8.280 nan 0.000 0.487 322 L N 4.206 125.198 121.223 -0.385 0.000 2.666 322 L HA 0.770 5.110 4.340 -0.000 0.000 0.259 322 L C -2.223 174.598 176.870 -0.082 0.000 0.919 322 L CA -0.668 54.059 54.840 -0.188 0.000 0.927 322 L CB 1.548 43.492 42.059 -0.191 0.000 1.423 322 L HN 0.303 nan 8.230 nan 0.000 0.426 323 V N 4.358 124.302 119.914 0.050 0.000 2.628 323 V HA 0.637 4.757 4.120 -0.000 0.000 0.306 323 V C -0.736 175.395 176.094 0.061 0.000 1.045 323 V CA -0.500 61.861 62.300 0.102 0.000 0.905 323 V CB 1.714 33.642 31.823 0.174 0.000 0.997 323 V HN 0.725 nan 8.190 nan 0.000 0.436 324 F N 3.166 123.083 119.950 -0.055 0.000 2.563 324 F HA 0.665 5.191 4.527 -0.000 0.000 0.316 324 F C -0.378 175.440 175.800 0.029 0.000 1.076 324 F CA -0.413 57.561 58.000 -0.043 0.000 0.921 324 F CB 1.937 40.924 39.000 -0.022 0.000 1.209 324 F HN 0.576 nan 8.300 nan 0.000 0.462 325 N N 4.006 122.270 118.700 -0.727 0.000 2.537 325 N HA 0.148 4.888 4.740 -0.000 0.000 0.281 325 N C -0.934 174.302 175.510 -0.457 0.000 1.097 325 N CA -0.441 52.411 53.050 -0.330 0.000 0.964 325 N CB 1.293 39.772 38.487 -0.013 0.000 1.588 325 N HN 0.653 nan 8.380 nan 0.000 0.511 326 D N 1.892 122.176 120.400 -0.193 0.000 2.327 326 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 326 D C 2.130 178.283 176.300 -0.245 0.000 0.989 326 D CA 0.772 54.681 54.000 -0.152 0.000 0.873 326 D CB 0.572 41.453 40.800 0.136 0.000 0.955 326 D HN 0.446 nan 8.370 nan 0.000 0.515 327 V N -0.364 119.427 119.914 -0.205 0.000 2.278 327 V HA -0.159 3.961 4.120 -0.000 0.000 0.251 327 V C 0.996 176.987 176.094 -0.172 0.000 1.062 327 V CA 1.494 63.654 62.300 -0.233 0.000 1.038 327 V CB -0.361 31.407 31.823 -0.091 0.000 0.646 327 V HN -0.019 nan 8.190 nan 0.000 0.447 328 D N 0.411 120.741 120.400 -0.117 0.000 2.438 328 D HA 0.475 5.115 4.640 -0.000 0.000 0.257 328 D C 0.652 176.895 176.300 -0.095 0.000 1.148 328 D CA 1.015 54.955 54.000 -0.099 0.000 0.902 328 D CB 0.679 41.429 40.800 -0.084 0.000 1.062 328 D HN 0.638 nan 8.370 nan 0.000 0.518 329 G N 2.560 111.304 108.800 -0.094 0.000 2.601 329 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.261 329 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.261 329 G C -0.522 174.327 174.900 -0.084 0.000 1.289 329 G CA -0.231 44.825 45.100 -0.072 0.000 0.920 329 G HN 0.531 nan 8.290 nan 0.000 0.571 330 L N -0.237 120.953 121.223 -0.055 0.000 2.322 330 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 330 L C -0.602 176.266 176.870 -0.003 0.000 1.014 330 L CA -0.930 53.855 54.840 -0.092 0.000 0.815 330 L CB 1.905 43.953 42.059 -0.019 0.000 1.247 330 L HN 0.701 nan 8.230 nan 0.000 0.421 331 Y N 2.355 122.491 120.300 -0.274 0.000 2.470 331 Y HA 0.560 5.110 4.550 -0.000 0.000 0.341 331 Y C -0.799 175.030 175.900 -0.119 0.000 1.021 331 Y CA -1.308 56.703 58.100 -0.148 0.000 1.025 331 Y CB 2.223 40.614 38.460 -0.116 0.000 1.266 331 Y HN 0.543 nan 8.280 nan 0.000 0.448 332 T N 3.555 117.939 114.554 -0.285 0.000 3.176 332 T HA 0.243 4.592 4.350 -0.000 0.000 0.337 332 T C -1.572 173.019 174.700 -0.183 0.000 0.957 332 T CA -0.528 61.407 62.100 -0.275 0.000 1.092 332 T CB -0.182 68.698 68.868 0.021 0.000 1.018 332 T HN 0.548 nan 8.240 nan 0.000 0.473 333 Y N 3.137 123.148 120.300 -0.482 0.000 2.359 333 Y HA 0.542 5.092 4.550 -0.000 0.000 0.330 333 Y C -0.246 175.665 175.900 0.019 0.000 1.143 333 Y CA -0.396 57.631 58.100 -0.121 0.000 1.318 333 Y CB 0.949 39.392 38.460 -0.028 0.000 1.234 333 Y HN 0.725 nan 8.280 nan 0.000 0.522 334 T N 9.244 123.595 114.554 -0.339 0.000 2.833 334 T HA 0.486 4.836 4.350 -0.000 0.000 0.297 334 T C -1.110 173.275 174.700 -0.525 0.000 1.015 334 T CA -0.390 61.485 62.100 -0.374 0.000 0.963 334 T CB -0.145 68.636 68.868 -0.146 0.000 0.955 334 T HN 0.480 nan 8.240 nan 0.000 0.449 335 F N -0.004 119.603 119.950 -0.573 0.000 2.640 335 F HA 0.740 5.266 4.527 -0.000 0.000 0.324 335 F C -0.248 175.464 175.800 -0.147 0.000 1.077 335 F CA -1.649 56.100 58.000 -0.418 0.000 0.965 335 F CB 1.485 40.151 39.000 -0.557 0.000 1.351 335 F HN 0.379 nan 8.300 nan 0.000 0.487 336 E N 1.923 122.300 120.200 0.295 0.000 2.167 336 E HA 0.530 4.880 4.350 -0.000 0.000 0.247 336 E C -0.550 176.255 176.600 0.340 0.000 0.961 336 E CA -0.772 55.743 56.400 0.192 0.000 0.797 336 E CB 0.703 30.473 29.700 0.117 0.000 1.182 336 E HN 0.975 nan 8.360 nan 0.000 0.437 337 A N 4.359 127.422 122.820 0.405 0.000 2.561 337 A HA -0.004 4.315 4.320 -0.000 0.000 0.234 337 A C 0.330 178.015 177.584 0.167 0.000 1.055 337 A CA 0.158 52.425 52.037 0.382 0.000 0.756 337 A CB 0.303 19.503 19.000 0.333 0.000 0.986 337 A HN 0.646 nan 8.150 nan 0.000 0.505 338 E N 0.873 121.136 120.200 0.105 0.000 2.331 338 E HA 0.127 4.476 4.350 -0.000 0.000 0.272 338 E C 0.154 176.790 176.600 0.060 0.000 1.036 338 E CA -0.395 56.045 56.400 0.067 0.000 0.864 338 E CB 0.986 30.710 29.700 0.040 0.000 1.035 338 E HN 0.606 nan 8.360 nan 0.000 0.408 339 R N 3.226 123.758 120.500 0.053 0.000 2.248 339 R HA 0.057 4.397 4.340 -0.000 0.000 0.337 339 R C -0.224 176.100 176.300 0.041 0.000 1.085 339 R CA -0.316 55.813 56.100 0.049 0.000 0.934 339 R CB 0.186 30.514 30.300 0.047 0.000 1.034 339 R HN 0.256 nan 8.270 nan 0.000 0.465 340 K N 3.554 123.978 120.400 0.039 0.000 2.437 340 K HA -0.109 4.211 4.320 -0.000 0.000 0.277 340 K C 0.353 176.974 176.600 0.035 0.000 1.073 340 K CA 0.598 56.906 56.287 0.034 0.000 1.105 340 K CB 0.529 33.048 32.500 0.033 0.000 0.881 340 K HN 0.667 nan 8.250 nan 0.000 0.475 341 E N 1.663 121.882 120.200 0.032 0.000 2.515 341 E HA -0.170 4.180 4.350 -0.000 0.000 0.201 341 E C 0.452 177.072 176.600 0.034 0.000 1.071 341 E CA 0.751 57.170 56.400 0.031 0.000 0.880 341 E CB -0.163 29.553 29.700 0.027 0.000 0.828 341 E HN 0.609 nan 8.360 nan 0.000 0.540 342 N N -0.752 117.971 118.700 0.038 0.000 2.365 342 N HA 0.091 4.831 4.740 -0.000 0.000 0.257 342 N C -0.344 175.189 175.510 0.038 0.000 1.287 342 N CA -0.578 52.498 53.050 0.043 0.000 0.882 342 N CB 0.307 38.826 38.487 0.053 0.000 1.250 342 N HN -0.096 nan 8.380 nan 0.000 0.507 343 C N 2.331 121.651 119.300 0.034 0.000 2.517 343 C HA 0.085 4.545 4.460 -0.000 0.000 0.403 343 C C -0.618 174.385 174.990 0.022 0.000 1.467 343 C CA -0.893 58.141 59.018 0.027 0.000 1.542 343 C CB 0.275 28.033 27.740 0.030 0.000 2.482 343 C HN 0.445 nan 8.230 nan 0.000 0.610 344 P HA -0.120 nan 4.420 nan 0.000 0.219 344 P C 0.960 178.259 177.300 -0.001 0.000 1.144 344 P CA 2.311 65.412 63.100 0.001 0.000 0.806 344 P CB 0.197 31.883 31.700 -0.023 0.000 0.771 345 A N -0.861 121.958 122.820 -0.002 0.000 2.010 345 A HA -0.014 4.305 4.320 -0.000 0.000 0.210 345 A C 1.865 179.450 177.584 0.002 0.000 1.479 345 A CA 0.758 52.788 52.037 -0.012 0.000 0.748 345 A CB -0.994 17.990 19.000 -0.025 0.000 1.125 345 A HN 0.340 nan 8.150 nan 0.000 0.522 346 C N 1.890 121.198 119.300 0.014 0.000 2.460 346 C HA 0.418 4.878 4.460 -0.000 0.000 0.322 346 C C 1.115 176.142 174.990 0.062 0.000 1.333 346 C CA -0.457 58.582 59.018 0.034 0.000 1.631 346 C CB -2.712 25.047 27.740 0.033 0.000 1.672 346 C HN 0.452 nan 8.230 nan 0.000 0.596 347 S N 0.229 115.963 115.700 0.055 0.000 2.405 347 S HA 0.158 4.628 4.470 -0.000 0.000 0.291 347 S C 1.183 175.835 174.600 0.086 0.000 1.137 347 S CA -0.157 58.079 58.200 0.060 0.000 1.061 347 S CB 0.779 64.006 63.200 0.045 0.000 1.001 347 S HN 0.590 nan 8.310 nan 0.000 0.507 348 Q N 2.701 122.556 119.800 0.091 0.000 2.103 348 Q HA -0.173 4.167 4.340 -0.000 0.000 0.213 348 Q C 0.505 176.546 176.000 0.068 0.000 1.008 348 Q CA 1.754 57.611 55.803 0.091 0.000 0.879 348 Q CB -0.314 28.365 28.738 -0.099 0.000 0.946 348 Q HN 0.839 nan 8.270 nan 0.000 0.413 349 L N -0.146 121.093 121.223 0.028 0.000 2.440 349 L HA 0.328 4.668 4.340 -0.000 0.000 0.262 349 L C -1.930 174.962 176.870 0.038 0.000 1.072 349 L CA -2.195 52.661 54.840 0.026 0.000 0.798 349 L CB 0.199 42.263 42.059 0.007 0.000 1.307 349 L HN 0.016 nan 8.230 nan 0.000 0.475 350 P HA -0.018 nan 4.420 nan 0.000 0.274 350 P C -1.070 176.256 177.300 0.043 0.000 1.264 350 P CA -0.321 62.801 63.100 0.038 0.000 0.795 350 P CB 0.323 32.043 31.700 0.034 0.000 1.064 351 Q N 1.030 120.861 119.800 0.052 0.000 2.835 351 Q HA 0.126 4.466 4.340 -0.000 0.000 0.235 351 Q C -0.513 175.535 176.000 0.081 0.000 1.313 351 Q CA -0.111 55.733 55.803 0.068 0.000 1.053 351 Q CB -1.646 27.139 28.738 0.078 0.000 1.443 351 Q HN 0.165 nan 8.270 nan 0.000 0.576 352 N N 3.731 122.470 118.700 0.065 0.000 2.416 352 N HA 0.007 4.747 4.740 -0.000 0.000 0.291 352 N C -1.188 174.372 175.510 0.083 0.000 1.257 352 N CA 0.418 53.504 53.050 0.060 0.000 1.043 352 N CB 0.004 38.515 38.487 0.040 0.000 1.441 352 N HN 0.417 nan 8.380 nan 0.000 0.490 353 I N 2.458 123.096 120.570 0.113 0.000 2.560 353 I HA 0.091 4.261 4.170 -0.000 0.000 0.283 353 I C -0.493 175.734 176.117 0.182 0.000 1.115 353 I CA -0.394 61.012 61.300 0.176 0.000 1.066 353 I CB 1.576 39.739 38.000 0.271 0.000 1.221 353 I HN 0.404 nan 8.210 nan 0.000 0.450 354 Q N 4.989 124.818 119.800 0.047 0.000 2.323 354 Q HA 0.311 4.651 4.340 -0.000 0.000 0.257 354 Q C -0.987 174.866 176.000 -0.245 0.000 1.022 354 Q CA -0.144 55.628 55.803 -0.052 0.000 0.919 354 Q CB 1.053 29.721 28.738 -0.117 0.000 1.220 354 Q HN 0.330 nan 8.270 nan 0.000 0.427 355 F N 2.606 122.453 119.950 -0.172 0.000 2.441 355 F HA 0.167 4.694 4.527 -0.000 0.000 0.337 355 F C -0.038 175.683 175.800 -0.132 0.000 1.182 355 F CA 0.032 57.894 58.000 -0.230 0.000 1.279 355 F CB 0.090 38.798 39.000 -0.487 0.000 1.614 355 F HN 0.571 nan 8.300 nan 0.000 0.574 356 S N 1.551 117.107 115.700 -0.240 0.000 3.371 356 S HA 0.091 4.561 4.470 -0.000 0.000 0.645 356 S C -3.455 171.090 174.600 -0.091 0.000 0.757 356 S CA -1.369 56.749 58.200 -0.137 0.000 1.253 356 S CB -0.515 62.650 63.200 -0.058 0.000 1.047 356 S HN 0.261 nan 8.310 nan 0.000 0.350 357 P HA 0.585 nan 4.420 nan 0.000 0.172 357 P C 0.037 177.318 177.300 -0.031 0.000 1.796 357 P CA 0.368 63.440 63.100 -0.047 0.000 1.494 357 P CB 0.634 32.299 31.700 -0.059 0.000 1.425 358 S N 1.321 117.011 115.700 -0.018 0.000 1.235 358 S HA -0.088 4.382 4.470 -0.000 0.000 0.253 358 S C 0.508 175.107 174.600 -0.002 0.000 0.613 358 S CA 0.219 58.413 58.200 -0.009 0.000 0.987 358 S CB -2.104 61.089 63.200 -0.012 0.000 0.951 358 S HN 0.644 nan 8.310 nan 0.000 0.486 359 A N 3.929 126.746 122.820 -0.005 0.000 2.450 359 A HA 0.606 4.925 4.320 -0.000 0.000 0.255 359 A C 0.667 178.261 177.584 0.016 0.000 1.096 359 A CA 0.113 52.154 52.037 0.007 0.000 0.778 359 A CB 0.202 19.204 19.000 0.003 0.000 1.031 359 A HN 0.660 nan 8.150 nan 0.000 0.494 360 K N 1.272 121.689 120.400 0.028 0.000 2.863 360 K HA 0.264 4.584 4.320 -0.000 0.000 0.315 360 K C 0.364 176.994 176.600 0.051 0.000 1.051 360 K CA -0.048 56.261 56.287 0.037 0.000 1.028 360 K CB -0.032 32.492 32.500 0.041 0.000 1.129 360 K HN 0.593 nan 8.250 nan 0.000 0.459 361 L N 0.573 121.833 121.223 0.062 0.000 2.728 361 L HA 0.120 4.460 4.340 -0.000 0.000 0.238 361 L C 1.532 178.460 176.870 0.097 0.000 1.143 361 L CA 0.078 54.964 54.840 0.076 0.000 0.937 361 L CB -0.101 42.002 42.059 0.074 0.000 1.225 361 L HN 0.460 nan 8.230 nan 0.000 0.507 362 Q N 0.479 120.336 119.800 0.095 0.000 2.398 362 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 362 Q C 0.823 176.884 176.000 0.102 0.000 0.932 362 Q CA 0.597 56.464 55.803 0.108 0.000 0.916 362 Q CB 0.077 28.868 28.738 0.087 0.000 1.024 362 Q HN 0.474 nan 8.270 nan 0.000 0.504 363 E N 0.524 120.781 120.200 0.096 0.000 2.445 363 E HA -0.017 4.332 4.350 -0.000 0.000 0.189 363 E C 0.952 177.632 176.600 0.133 0.000 1.069 363 E CA 0.232 56.696 56.400 0.106 0.000 0.871 363 E CB 0.583 30.335 29.700 0.087 0.000 0.991 363 E HN 0.223 nan 8.360 nan 0.000 0.481 364 V N -1.942 118.050 119.914 0.130 0.000 3.539 364 V HA 0.116 4.236 4.120 -0.000 0.000 0.262 364 V C 1.615 177.790 176.094 0.135 0.000 1.381 364 V CA -0.149 62.246 62.300 0.158 0.000 1.060 364 V CB 0.036 31.927 31.823 0.113 0.000 0.842 364 V HN 0.129 nan 8.190 nan 0.000 0.445 365 L N 0.885 122.163 121.223 0.091 0.000 2.084 365 L HA 0.150 4.490 4.340 -0.000 0.000 0.202 365 L C 2.157 179.061 176.870 0.056 0.000 1.074 365 L CA 1.992 56.858 54.840 0.043 0.000 0.757 365 L CB -0.548 41.539 42.059 0.047 0.000 0.918 365 L HN 0.176 nan 8.230 nan 0.000 0.444 366 D N -1.347 119.105 120.400 0.086 0.000 2.265 366 D HA -0.254 4.385 4.640 -0.000 0.000 0.208 366 D C 1.810 178.162 176.300 0.088 0.000 0.977 366 D CA 1.327 55.373 54.000 0.077 0.000 0.871 366 D CB -0.008 40.844 40.800 0.086 0.000 0.925 366 D HN 0.440 nan 8.370 nan 0.000 0.485 367 Y N 1.625 121.911 120.300 -0.024 0.000 2.130 367 Y HA -0.095 4.455 4.550 -0.000 0.000 0.287 367 Y C 2.243 178.089 175.900 -0.089 0.000 1.124 367 Y CA 1.062 59.113 58.100 -0.081 0.000 1.118 367 Y CB -0.646 37.748 38.460 -0.110 0.000 0.994 367 Y HN -0.151 nan 8.280 nan 0.000 0.497 368 L N -0.593 120.491 121.223 -0.232 0.000 2.042 368 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 368 L C 2.259 178.994 176.870 -0.223 0.000 1.076 368 L CA 2.031 56.680 54.840 -0.318 0.000 0.749 368 L CB -1.052 40.928 42.059 -0.133 0.000 0.893 368 L HN 0.228 nan 8.230 nan 0.000 0.432 369 T N -0.754 113.729 114.554 -0.118 0.000 2.904 369 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 369 T C 1.600 176.254 174.700 -0.077 0.000 1.059 369 T CA 1.141 63.196 62.100 -0.076 0.000 1.137 369 T CB -0.065 68.788 68.868 -0.026 0.000 0.879 369 T HN 0.332 nan 8.240 nan 0.000 0.467 370 N N 0.357 119.008 118.700 -0.083 0.000 2.463 370 N HA 0.102 4.841 4.740 -0.000 0.000 0.183 370 N C 0.698 176.153 175.510 -0.090 0.000 1.064 370 N CA 0.085 53.099 53.050 -0.059 0.000 0.879 370 N CB -0.035 38.446 38.487 -0.011 0.000 1.148 370 N HN 0.156 nan 8.380 nan 0.000 0.451 371 S N 1.408 117.002 115.700 -0.176 0.000 2.811 371 S HA 0.044 4.513 4.470 -0.000 0.000 0.325 371 S C 1.308 175.817 174.600 -0.153 0.000 1.224 371 S CA -0.173 57.906 58.200 -0.203 0.000 1.125 371 S CB 0.109 62.987 63.200 -0.537 0.000 0.867 371 S HN 0.357 nan 8.310 nan 0.000 0.512 372 A N 4.214 126.991 122.820 -0.072 0.000 2.285 372 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 372 A C 1.919 179.477 177.584 -0.044 0.000 1.188 372 A CA 1.437 53.450 52.037 -0.040 0.000 0.707 372 A CB -0.611 18.385 19.000 -0.008 0.000 0.771 372 A HN 1.107 nan 8.150 nan 0.000 0.488 373 S N -2.098 113.550 115.700 -0.087 0.000 2.559 373 S HA 0.395 4.864 4.470 -0.000 0.000 0.226 373 S C 1.103 175.643 174.600 -0.100 0.000 1.000 373 S CA 0.251 58.408 58.200 -0.070 0.000 0.948 373 S CB -0.094 63.072 63.200 -0.057 0.000 0.870 373 S HN 0.433 nan 8.310 nan 0.000 0.497 374 L N -0.515 120.615 121.223 -0.154 0.000 2.713 374 L HA 0.344 4.683 4.340 -0.000 0.000 0.223 374 L C 0.912 177.714 176.870 -0.114 0.000 1.040 374 L CA -0.120 54.626 54.840 -0.157 0.000 0.894 374 L CB -0.763 41.132 42.059 -0.272 0.000 1.361 374 L HN 0.107 nan 8.230 nan 0.000 0.490 375 Q N 0.806 120.534 119.800 -0.121 0.000 2.375 375 Q HA -0.226 4.114 4.340 -0.000 0.000 0.242 375 Q C 0.122 176.081 176.000 -0.067 0.000 0.956 375 Q CA 0.722 56.477 55.803 -0.080 0.000 1.163 375 Q CB -1.486 27.224 28.738 -0.046 0.000 1.680 375 Q HN 0.523 nan 8.270 nan 0.000 0.547 376 M N 0.457 120.008 119.600 -0.082 0.000 2.243 376 M HA 0.006 4.485 4.480 -0.000 0.000 0.309 376 M C 0.491 176.765 176.300 -0.043 0.000 1.050 376 M CA 1.225 56.490 55.300 -0.059 0.000 1.139 376 M CB 0.199 32.758 32.600 -0.069 0.000 1.457 376 M HN 0.010 nan 8.290 nan 0.000 0.440 377 K N 0.992 121.376 120.400 -0.027 0.000 2.221 377 K HA 0.232 4.552 4.320 -0.000 0.000 0.258 377 K C -0.194 176.399 176.600 -0.011 0.000 0.944 377 K CA -0.331 55.946 56.287 -0.017 0.000 0.823 377 K CB 1.197 33.690 32.500 -0.012 0.000 1.113 377 K HN 0.816 nan 8.250 nan 0.000 0.431 378 S N 2.196 117.894 115.700 -0.003 0.000 3.298 378 S HA -0.121 4.349 4.470 -0.000 0.000 0.273 378 S C -2.401 172.191 174.600 -0.013 0.000 0.804 378 S CA -0.199 58.004 58.200 0.006 0.000 1.369 378 S CB -1.615 61.598 63.200 0.022 0.000 0.993 378 S HN 0.465 nan 8.310 nan 0.000 0.449 379 P HA 0.709 nan 4.420 nan 0.000 0.302 379 P C -0.302 176.939 177.300 -0.098 0.000 1.301 379 P CA -0.060 63.004 63.100 -0.061 0.000 0.745 379 P CB 0.386 32.041 31.700 -0.074 0.000 1.331 380 A N -0.287 122.467 122.820 -0.109 0.000 2.491 380 A HA 0.599 4.919 4.320 -0.000 0.000 0.293 380 A C -1.167 176.347 177.584 -0.117 0.000 1.047 380 A CA -0.418 51.535 52.037 -0.140 0.000 0.735 380 A CB 0.473 19.430 19.000 -0.072 0.000 1.281 380 A HN 0.310 nan 8.150 nan 0.000 0.398 381 I N 1.769 122.248 120.570 -0.151 0.000 2.412 381 I HA 0.545 4.715 4.170 -0.000 0.000 0.296 381 I C 0.102 176.191 176.117 -0.047 0.000 0.987 381 I CA -0.376 60.873 61.300 -0.086 0.000 1.180 381 I CB 2.265 40.214 38.000 -0.085 0.000 1.340 381 I HN 0.604 nan 8.210 nan 0.000 0.455 382 T N 4.154 118.696 114.554 -0.020 0.000 2.908 382 T HA 0.815 5.165 4.350 -0.000 0.000 0.290 382 T C -0.386 174.317 174.700 0.005 0.000 1.034 382 T CA -0.508 61.590 62.100 -0.003 0.000 1.010 382 T CB 2.162 71.030 68.868 -0.000 0.000 1.068 382 T HN 0.755 nan 8.240 nan 0.000 0.481 383 A N 1.327 124.155 122.820 0.012 0.000 2.552 383 A HA 0.952 5.272 4.320 -0.000 0.000 0.288 383 A C -0.449 177.145 177.584 0.016 0.000 1.193 383 A CA -0.708 51.339 52.037 0.015 0.000 0.713 383 A CB 1.466 20.478 19.000 0.019 0.000 1.305 383 A HN 0.713 nan 8.150 nan 0.000 0.424 390 R N 0.310 120.821 120.500 0.019 0.000 2.474 390 R HA 0.501 4.841 4.340 -0.000 0.000 0.295 390 R C -0.073 176.243 176.300 0.027 0.000 0.980 390 R CA -0.473 55.641 56.100 0.024 0.000 0.934 390 R CB 1.232 31.548 30.300 0.026 0.000 1.101 390 R HN 0.111 nan 8.270 nan 0.000 0.469 391 T N 4.080 118.654 114.554 0.033 0.000 2.737 391 T HA 0.191 4.540 4.350 -0.000 0.000 0.296 391 T C 0.498 175.234 174.700 0.059 0.000 0.922 391 T CA -0.316 61.806 62.100 0.038 0.000 1.079 391 T CB 0.279 69.173 68.868 0.043 0.000 0.892 391 T HN 0.263 nan 8.240 nan 0.000 0.514 392 L N 5.930 127.180 121.223 0.043 0.000 2.449 392 L HA 0.278 4.618 4.340 -0.000 0.000 0.255 392 L C -0.003 176.903 176.870 0.059 0.000 1.167 392 L CA -1.038 53.847 54.840 0.075 0.000 1.090 392 L CB -0.798 41.281 42.059 0.033 0.000 1.385 392 L HN 0.848 nan 8.230 nan 0.000 0.411 393 Y N 1.422 121.733 120.300 0.019 0.000 2.533 393 Y HA -0.215 4.334 4.550 -0.000 0.000 0.135 393 Y C -1.378 174.533 175.900 0.018 0.000 1.716 393 Y CA -0.262 57.849 58.100 0.018 0.000 1.400 393 Y CB -0.294 38.176 38.460 0.017 0.000 2.042 393 Y HN 0.441 nan 8.280 nan 0.000 0.260 394 L N 5.893 127.203 121.223 0.146 0.000 2.372 394 L HA 0.442 4.782 4.340 -0.000 0.000 0.273 394 L C 0.465 177.416 176.870 0.134 0.000 0.989 394 L CA -0.725 54.142 54.840 0.046 0.000 0.841 394 L CB 1.773 43.845 42.059 0.022 0.000 1.225 394 L HN 0.826 nan 8.230 nan 0.000 0.414 395 Q N 1.588 121.475 119.800 0.145 0.000 2.576 395 Q HA -0.044 4.295 4.340 -0.000 0.000 0.218 395 Q C 0.924 176.970 176.000 0.077 0.000 0.983 395 Q CA 0.826 56.712 55.803 0.139 0.000 0.920 395 Q CB -0.140 28.676 28.738 0.130 0.000 0.973 395 Q HN 0.776 nan 8.270 nan 0.000 0.528 601 T N -0.894 113.675 114.554 0.024 0.000 3.065 601 T HA 0.521 4.871 4.350 -0.000 0.000 0.252 601 T C 1.734 176.450 174.700 0.026 0.000 1.099 601 T CA 2.276 64.388 62.100 0.020 0.000 1.063 601 T CB -0.158 68.718 68.868 0.014 0.000 0.948 601 T HN 1.584 nan 8.240 nan 0.000 0.506 602 S N 0.130 115.851 115.700 0.036 0.000 2.562 602 S HA 0.526 4.996 4.470 -0.000 0.000 0.221 602 S C 2.103 176.744 174.600 0.069 0.000 0.975 602 S CA 0.958 59.185 58.200 0.045 0.000 0.918 602 S CB -0.724 62.503 63.200 0.044 0.000 0.772 602 S HN 0.749 nan 8.310 nan 0.000 0.531 603 I N 0.142 120.756 120.570 0.072 0.000 2.810 603 I HA 0.480 4.649 4.170 -0.000 0.000 0.262 603 I C 2.389 178.521 176.117 0.025 0.000 1.131 603 I CA 1.500 62.863 61.300 0.106 0.000 1.453 603 I CB -1.522 36.558 38.000 0.132 0.000 1.161 603 I HN 0.506 nan 8.210 nan 0.000 0.444 604 E N 1.325 121.530 120.200 0.008 0.000 2.160 604 E HA -0.197 4.152 4.350 -0.000 0.000 0.195 604 E C 1.943 178.529 176.600 -0.023 0.000 0.991 604 E CA 1.845 58.233 56.400 -0.020 0.000 0.810 604 E CB -1.344 28.351 29.700 -0.008 0.000 0.742 604 E HN 1.167 nan 8.360 nan 0.000 0.466 605 E N -0.837 119.363 120.200 -0.000 0.000 2.512 605 E HA 0.358 4.708 4.350 -0.000 0.000 0.195 605 E C 1.672 178.274 176.600 0.003 0.000 1.083 605 E CA 1.145 57.547 56.400 0.003 0.000 0.873 605 E CB -0.801 28.909 29.700 0.017 0.000 0.897 605 E HN 0.857 nan 8.360 nan 0.000 0.514 606 R N -1.248 119.240 120.500 -0.020 0.000 2.508 606 R HA 0.530 4.870 4.340 -0.000 0.000 0.420 606 R C 1.338 177.495 176.300 -0.238 0.000 0.866 606 R CA 0.565 56.643 56.100 -0.036 0.000 1.103 606 R CB -1.374 28.986 30.300 0.101 0.000 1.657 606 R HN 0.620 nan 8.270 nan 0.000 0.562 607 T N 0.869 115.278 114.554 -0.242 0.000 4.454 607 T HA 0.528 4.877 4.350 -0.000 0.000 0.208 607 T C 0.804 175.325 174.700 -0.299 0.000 0.828 607 T CA 1.296 63.155 62.100 -0.401 0.000 1.476 607 T CB -0.919 67.804 68.868 -0.242 0.000 1.336 607 T HN 1.758 nan 8.240 nan 0.000 0.895 701 E N -0.193 120.024 120.200 0.029 0.000 2.474 701 E HA 0.534 4.884 4.350 -0.000 0.000 0.195 701 E C 2.096 178.710 176.600 0.024 0.000 1.039 701 E CA 1.478 57.894 56.400 0.026 0.000 0.881 701 E CB -0.855 28.857 29.700 0.020 0.000 0.970 701 E HN 1.873 nan 8.360 nan 0.000 0.486 702 L N 0.242 121.480 121.223 0.025 0.000 1.943 702 L HA 0.265 4.604 4.340 -0.000 0.000 0.215 702 L C 2.927 179.812 176.870 0.024 0.000 1.074 702 L CA 2.589 57.443 54.840 0.022 0.000 0.759 702 L CB -1.456 40.616 42.059 0.022 0.000 0.888 702 L HN 0.493 nan 8.230 nan 0.000 0.433 703 G N -1.630 107.189 108.800 0.031 0.000 2.920 703 G HA2 0.329 4.288 3.960 -0.000 0.000 0.208 703 G HA3 0.329 4.288 3.960 -0.000 0.000 0.208 703 G C 1.459 176.379 174.900 0.032 0.000 1.159 703 G CA 1.167 46.286 45.100 0.032 0.000 0.784 703 G HN 1.312 nan 8.290 nan 0.000 0.535 704 L N -0.595 120.648 121.223 0.033 0.000 2.549 704 L HA 0.578 4.918 4.340 -0.000 0.000 0.229 704 L C 2.507 179.390 176.870 0.022 0.000 1.158 704 L CA 2.113 56.972 54.840 0.031 0.000 0.842 704 L CB -1.185 40.893 42.059 0.032 0.000 0.952 704 L HN 0.436 nan 8.230 nan 0.000 0.452 705 V N -1.997 117.929 119.914 0.020 0.000 3.350 705 V HA 0.330 4.450 4.120 -0.000 0.000 0.246 705 V C 1.208 177.310 176.094 0.014 0.000 1.363 705 V CA 1.297 63.605 62.300 0.014 0.000 1.162 705 V CB -0.876 30.953 31.823 0.011 0.000 0.947 705 V HN 0.564 nan 8.190 nan 0.000 0.454 801 Q N -1.443 118.364 119.800 0.011 0.000 1.254 801 Q HA 0.390 4.730 4.340 -0.000 0.000 0.302 801 Q C 0.887 176.890 176.000 0.005 0.000 0.983 801 Q CA 3.024 58.831 55.803 0.007 0.000 0.783 801 Q CB -1.938 26.804 28.738 0.008 0.000 3.906 801 Q HN 2.729 nan 8.270 nan 0.000 0.494 901 V N -1.713 118.216 119.914 0.024 0.000 6.831 901 V HA 0.518 4.638 4.120 -0.000 0.000 0.370 901 V C 0.506 176.614 176.094 0.022 0.000 0.661 901 V CA 0.431 62.746 62.300 0.024 0.000 1.201 901 V CB -2.083 29.752 31.823 0.021 0.000 0.631 901 V HN 2.677 nan 8.190 nan 0.000 0.697 902 A N 0.150 122.986 122.820 0.027 0.000 2.492 902 A HA 0.783 5.103 4.320 -0.000 0.000 0.236 902 A C 0.542 178.138 177.584 0.020 0.000 1.078 902 A CA 1.272 53.323 52.037 0.023 0.000 0.773 902 A CB 0.351 19.370 19.000 0.031 0.000 1.023 902 A HN 2.570 nan 8.150 nan 0.000 0.504 903 D N -1.327 119.079 120.400 0.010 0.000 2.890 903 D HA 0.670 5.310 4.640 -0.000 0.000 0.233 903 D C -0.705 175.590 176.300 -0.008 0.000 1.306 903 D CA 0.155 54.158 54.000 0.005 0.000 0.929 903 D CB 0.763 41.566 40.800 0.005 0.000 1.512 903 D HN 1.717 nan 8.370 nan 0.000 0.568 904 V N -1.157 118.750 119.914 -0.011 0.000 3.093 904 V HA 1.100 5.220 4.120 -0.000 0.000 0.320 904 V C 0.647 176.727 176.094 -0.023 0.000 1.093 904 V CA -0.028 62.257 62.300 -0.025 0.000 1.016 904 V CB 1.883 33.689 31.823 -0.029 0.000 1.096 904 V HN 1.629 nan 8.190 nan 0.000 0.452 905 T N 0.999 115.537 114.554 -0.027 0.000 4.111 905 T HA 0.813 5.163 4.350 -0.000 0.000 0.346 905 T C -0.266 174.427 174.700 -0.011 0.000 0.893 905 T CA 0.357 62.447 62.100 -0.016 0.000 1.011 905 T CB -0.091 68.773 68.868 -0.007 0.000 1.094 905 T HN 1.916 nan 8.240 nan 0.000 0.467 906 T N 2.136 116.686 114.554 -0.006 0.000 2.907 906 T HA 0.918 5.268 4.350 -0.000 0.000 0.284 906 T C -1.328 173.393 174.700 0.036 0.000 1.004 906 T CA -0.783 61.319 62.100 0.003 0.000 1.063 906 T CB -0.051 68.812 68.868 -0.008 0.000 0.992 906 T HN 0.633 nan 8.240 nan 0.000 0.483 907 P HA 0.456 nan 4.420 nan 0.000 0.247 907 P C 0.948 178.294 177.300 0.077 0.000 1.147 907 P CA 1.706 64.835 63.100 0.048 0.000 0.964 907 P CB -1.579 30.137 31.700 0.026 0.000 0.944 908 Q N 0.050 119.938 119.800 0.146 0.000 2.224 908 Q HA -0.381 3.959 4.340 -0.000 0.000 0.189 908 Q C 1.949 178.120 176.000 0.284 0.000 0.639 908 Q CA 3.472 59.435 55.803 0.267 0.000 1.436 908 Q CB -3.075 25.715 28.738 0.086 0.000 1.626 908 Q HN 1.122 nan 8.270 nan 0.000 0.768 909 T N -1.429 113.206 114.554 0.136 0.000 2.597 909 T HA 0.434 4.783 4.350 -0.000 0.000 0.267 909 T C 1.832 176.588 174.700 0.093 0.000 1.053 909 T CA 3.972 66.123 62.100 0.084 0.000 1.165 909 T CB -0.468 68.415 68.868 0.025 0.000 0.863 909 T HN 2.412 nan 8.240 nan 0.000 0.427 910 V N -1.048 118.890 119.914 0.040 0.000 3.007 910 V HA 0.776 4.895 4.120 -0.000 0.000 0.311 910 V C 1.623 177.588 176.094 -0.215 0.000 1.120 910 V CA -0.161 62.070 62.300 -0.115 0.000 0.980 910 V CB 1.366 33.118 31.823 -0.118 0.000 1.033 910 V HN 0.814 nan 8.190 nan 0.000 0.429 911 L N 2.260 123.114 121.223 -0.614 0.000 2.217 911 L HA 0.526 4.866 4.340 -0.000 0.000 0.211 911 L C 1.697 178.408 176.870 -0.264 0.000 1.107 911 L CA 2.152 56.643 54.840 -0.583 0.000 0.783 911 L CB -1.824 39.546 42.059 -1.148 0.000 0.919 911 L HN 1.944 nan 8.230 nan 0.000 0.442 912 F N 0.140 119.942 119.950 -0.246 0.000 2.408 912 F HA 0.675 5.202 4.527 -0.000 0.000 0.303 912 F C 0.908 176.659 175.800 -0.082 0.000 1.268 912 F CA -0.388 57.525 58.000 -0.145 0.000 1.218 912 F CB -0.423 38.493 39.000 -0.139 0.000 1.283 912 F HN 0.541 nan 8.300 nan 0.000 0.545 913 K N 0.826 121.193 120.400 -0.055 0.000 2.367 913 K HA 0.780 5.100 4.320 -0.000 0.000 0.263 913 K C -0.672 175.913 176.600 -0.026 0.000 1.000 913 K CA 0.055 56.324 56.287 -0.031 0.000 0.891 913 K CB 0.228 32.717 32.500 -0.018 0.000 1.117 913 K HN 2.468 nan 8.250 nan 0.000 0.443 914 L N 0.890 122.099 121.223 -0.024 0.000 2.410 914 L HA 0.695 5.035 4.340 -0.000 0.000 0.273 914 L C 0.606 177.476 176.870 -0.001 0.000 1.144 914 L CA 0.089 54.920 54.840 -0.015 0.000 0.863 914 L CB -0.870 41.177 42.059 -0.020 0.000 1.140 914 L HN 1.341 nan 8.230 nan 0.000 0.463 915 H N 1.953 121.028 119.070 0.009 0.000 2.725 915 H HA 0.761 5.317 4.556 -0.000 0.000 0.283 915 H C -0.500 174.848 175.328 0.032 0.000 1.110 915 H CA -0.242 55.818 56.048 0.020 0.000 1.289 915 H CB 0.427 30.201 29.762 0.020 0.000 1.400 915 H HN 2.101 nan 8.280 nan 0.000 0.493 916 F N 1.397 121.371 119.950 0.041 0.000 2.469 916 F HA 0.964 5.491 4.527 -0.000 0.000 0.332 916 F C 0.612 176.449 175.800 0.062 0.000 1.103 916 F CA -0.655 57.382 58.000 0.063 0.000 0.979 916 F CB 0.806 39.859 39.000 0.089 0.000 1.137 916 F HN 1.154 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