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 1ded_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKNMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDFRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV NVNWQP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.564 177.584 -0.034 0.000 1.274 1 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 1 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 2 P HA 0.116 nan 4.420 nan 0.000 0.272 2 P C 0.139 177.408 177.300 -0.051 0.000 1.230 2 P CA -0.587 62.486 63.100 -0.044 0.000 0.788 2 P CB 0.346 32.017 31.700 -0.049 0.000 0.949 3 D N -0.252 120.123 120.400 -0.040 0.000 2.221 3 D HA -0.385 nan 4.640 nan 0.000 0.204 3 D C 0.444 176.706 176.300 -0.063 0.000 0.982 3 D CA 3.191 57.175 54.000 -0.026 0.000 0.857 3 D CB -0.609 40.214 40.800 0.038 0.000 0.934 3 D HN 0.055 8.402 8.370 -0.039 0.000 0.475 4 T N -8.669 105.834 114.554 -0.085 0.000 3.107 4 T HA 0.175 nan 4.350 nan 0.000 0.249 4 T C 0.883 175.502 174.700 -0.136 0.000 1.096 4 T CA -0.755 61.270 62.100 -0.125 0.000 1.012 4 T CB -0.498 68.299 68.868 -0.118 0.000 0.977 4 T HN -0.096 8.071 8.240 -0.072 0.030 0.527 5 S N 3.249 118.878 115.700 -0.119 0.000 2.558 5 S HA -0.131 nan 4.470 nan 0.000 0.287 5 S C 1.145 175.639 174.600 -0.177 0.000 1.321 5 S CA 1.155 59.278 58.200 -0.129 0.000 1.048 5 S CB 0.354 63.489 63.200 -0.109 0.000 0.844 5 S HN -0.488 7.656 8.310 -0.099 0.107 0.512 6 V N 1.340 121.142 119.914 -0.187 0.000 2.867 6 V HA -0.320 nan 4.120 nan 0.000 0.260 6 V C -0.551 175.376 176.094 -0.278 0.000 1.099 6 V CA 2.108 64.261 62.300 -0.244 0.000 1.122 6 V CB -0.349 31.344 31.823 -0.216 0.000 0.708 6 V HN 0.753 8.849 8.190 -0.157 0.000 0.490 7 S N -5.278 110.294 115.700 -0.213 0.000 2.561 7 S HA -0.212 nan 4.470 nan 0.000 0.225 7 S C -0.037 174.489 174.600 -0.123 0.000 0.977 7 S CA 0.493 58.588 58.200 -0.174 0.000 0.926 7 S CB -0.387 62.739 63.200 -0.124 0.000 0.769 7 S HN -0.390 7.778 8.310 -0.178 0.035 0.533 8 N N 2.153 120.770 118.700 -0.138 0.000 2.895 8 N HA -0.069 nan 4.740 nan 0.000 0.277 8 N C -0.514 174.960 175.510 -0.061 0.000 1.185 8 N CA -0.575 52.418 53.050 -0.096 0.000 1.106 8 N CB -0.371 38.046 38.487 -0.116 0.000 1.422 8 N HN -0.254 7.849 8.380 -0.174 0.172 0.521 9 K N 2.624 123.048 120.400 0.039 0.000 2.362 9 K HA -0.384 nan 4.320 nan 0.000 0.200 9 K C 1.503 178.311 176.600 0.347 0.000 1.046 9 K CA 3.326 59.751 56.287 0.230 0.000 0.952 9 K CB -0.058 32.541 32.500 0.165 0.000 0.753 9 K HN -0.129 8.073 8.250 0.005 0.052 0.466 10 Q N -4.430 115.493 119.800 0.205 0.000 2.212 10 Q HA -0.125 nan 4.340 nan 0.000 0.199 10 Q C 0.042 176.196 176.000 0.256 0.000 0.950 10 Q CA 1.495 57.426 55.803 0.213 0.000 0.863 10 Q CB 0.300 29.107 28.738 0.116 0.000 0.944 10 Q HN 0.384 8.684 8.270 0.115 0.039 0.465 11 N N -2.693 116.123 118.700 0.194 0.000 2.249 11 N HA 0.154 nan 4.740 nan 0.000 0.296 11 N C -1.403 174.138 175.510 0.052 0.000 1.051 11 N CA 0.121 53.226 53.050 0.091 0.000 0.815 11 N CB 2.318 40.830 38.487 0.042 0.000 1.487 11 N HN -0.847 7.627 8.380 0.156 0.000 0.475 12 F N 0.217 119.810 119.950 -0.595 0.000 2.724 12 F HA 0.281 nan 4.527 nan 0.000 0.310 12 F C 0.506 176.025 175.800 -0.468 0.000 1.107 12 F CA -1.341 56.297 58.000 -0.604 0.000 1.218 12 F CB 0.597 38.996 39.000 -1.003 0.000 1.042 12 F HN 0.565 8.627 8.300 -0.397 0.000 0.540 13 S N -0.046 115.523 115.700 -0.217 0.000 2.555 13 S HA -0.144 nan 4.470 nan 0.000 0.230 13 S C 0.894 175.292 174.600 -0.338 0.000 0.978 13 S CA 2.732 60.783 58.200 -0.249 0.000 0.934 13 S CB -0.201 62.890 63.200 -0.182 0.000 0.766 13 S HN 0.204 8.428 8.310 -0.144 0.000 0.533 14 T N -4.169 110.181 114.554 -0.339 0.000 3.169 14 T HA 0.206 nan 4.350 nan 0.000 0.250 14 T C -0.321 174.219 174.700 -0.265 0.000 1.111 14 T CA -1.162 60.732 62.100 -0.344 0.000 1.010 14 T CB -0.533 68.146 68.868 -0.315 0.000 0.984 14 T HN 0.070 8.101 8.240 -0.286 0.037 0.537 15 D N 1.577 121.833 120.400 -0.241 0.000 2.326 15 D HA 0.496 nan 4.640 nan 0.000 0.248 15 D C -1.065 175.164 176.300 -0.117 0.000 1.001 15 D CA -0.148 53.738 54.000 -0.190 0.000 0.961 15 D CB 3.276 43.944 40.800 -0.219 0.000 1.183 15 D HN -0.367 7.689 8.370 -0.239 0.171 0.502 16 V N -0.822 119.052 119.914 -0.066 0.000 2.588 16 V HA 0.519 nan 4.120 nan 0.000 0.304 16 V C -1.145 174.994 176.094 0.076 0.000 1.042 16 V CA -1.340 60.953 62.300 -0.013 0.000 0.877 16 V CB 2.552 34.352 31.823 -0.039 0.000 0.996 16 V HN 0.157 8.303 8.190 -0.074 0.000 0.425 17 I N 4.832 125.492 120.570 0.151 0.000 2.392 17 I HA 0.460 nan 4.170 nan 0.000 0.295 17 I C -1.774 174.538 176.117 0.325 0.000 0.985 17 I CA -1.250 60.212 61.300 0.270 0.000 1.221 17 I CB 2.642 40.848 38.000 0.343 0.000 1.366 17 I HN 0.562 8.846 8.210 0.123 0.000 0.467 18 Y N 8.266 128.672 120.300 0.178 0.000 2.356 18 Y HA 0.238 nan 4.550 nan 0.000 0.334 18 Y C -2.151 173.842 175.900 0.155 0.000 0.958 18 Y CA -2.123 56.061 58.100 0.140 0.000 1.196 18 Y CB 2.266 40.765 38.460 0.065 0.000 1.137 18 Y HN 0.804 9.215 8.280 0.393 0.105 0.485 19 Q N 8.865 128.584 119.800 -0.135 0.000 2.344 19 Q HA 0.264 nan 4.340 nan 0.000 0.253 19 Q C -1.396 174.388 176.000 -0.361 0.000 1.050 19 Q CA -0.410 55.226 55.803 -0.278 0.000 0.912 19 Q CB 0.890 29.395 28.738 -0.387 0.000 1.258 19 Q HN 0.947 9.030 8.270 -0.128 0.110 0.443 20 I N 7.487 127.821 120.570 -0.394 0.000 2.321 20 I HA 0.075 nan 4.170 nan 0.000 0.291 20 I C -1.732 174.123 176.117 -0.437 0.000 0.998 20 I CA -1.268 59.754 61.300 -0.463 0.000 1.227 20 I CB 1.582 39.304 38.000 -0.464 0.000 1.368 20 I HN 0.766 8.675 8.210 -0.327 0.105 0.466 21 F N 7.834 127.364 119.950 -0.700 0.000 2.439 21 F HA -0.008 nan 4.527 nan 0.000 0.356 21 F C 1.102 176.663 175.800 -0.398 0.000 1.161 21 F CA 0.612 58.328 58.000 -0.473 0.000 1.151 21 F CB 0.064 38.841 39.000 -0.371 0.000 1.222 21 F HN 0.496 8.314 8.300 -0.803 0.000 0.558 22 T N 8.690 123.054 114.554 -0.316 0.000 2.721 22 T HA -0.478 nan 4.350 nan 0.000 0.268 22 T C 1.611 176.268 174.700 -0.071 0.000 1.038 22 T CA 4.671 66.609 62.100 -0.270 0.000 1.145 22 T CB -0.490 67.959 68.868 -0.698 0.000 0.858 22 T HN -0.001 7.969 8.240 -0.451 0.000 0.459 23 D N -0.474 119.957 120.400 0.051 0.000 2.312 23 D HA -0.108 nan 4.640 nan 0.000 0.211 23 D C 1.047 177.449 176.300 0.170 0.000 0.964 23 D CA 2.517 56.647 54.000 0.216 0.000 0.877 23 D CB 0.128 41.139 40.800 0.352 0.000 0.924 23 D HN 0.270 8.637 8.370 0.039 0.027 0.515 24 R N -3.418 117.156 120.500 0.122 0.000 2.509 24 R HA 0.266 nan 4.340 nan 0.000 0.300 24 R C -0.495 175.896 176.300 0.152 0.000 0.985 24 R CA -1.058 55.102 56.100 0.101 0.000 1.092 24 R CB -0.466 29.889 30.300 0.092 0.000 1.237 24 R HN 0.087 8.235 8.270 0.078 0.169 0.546 25 F N 1.112 121.056 119.950 -0.010 0.000 2.484 25 F HA 0.161 nan 4.527 nan 0.000 0.268 25 F C -1.046 174.887 175.800 0.221 0.000 0.965 25 F CA 1.146 59.207 58.000 0.103 0.000 1.119 25 F CB 2.062 41.094 39.000 0.054 0.000 1.153 25 F HN -0.779 7.587 8.300 0.226 0.069 0.689 26 S N -1.717 114.108 115.700 0.208 0.000 2.566 26 S HA 0.145 nan 4.470 nan 0.000 0.273 26 S C -2.313 172.355 174.600 0.114 0.000 1.157 26 S CA -0.752 57.496 58.200 0.080 0.000 0.938 26 S CB 1.926 65.076 63.200 -0.084 0.000 1.087 26 S HN -0.395 8.130 8.310 0.359 0.000 0.474 27 D N 8.758 129.213 120.400 0.092 0.000 2.453 27 D HA 0.108 nan 4.640 nan 0.000 0.223 27 D C 0.335 176.672 176.300 0.062 0.000 1.183 27 D CA -1.248 52.811 54.000 0.097 0.000 0.933 27 D CB -0.708 40.164 40.800 0.121 0.000 1.038 27 D HN 0.364 8.780 8.370 0.077 0.000 0.513 28 G N 3.272 112.110 108.800 0.064 0.000 2.623 28 G HA2 -0.203 nan 3.960 nan 0.000 0.214 28 G HA3 -0.203 nan 3.960 nan 0.000 0.214 28 G C -0.431 174.495 174.900 0.044 0.000 1.138 28 G CA 0.178 45.306 45.100 0.047 0.000 0.794 28 G HN -0.003 8.470 8.290 0.086 -0.131 0.535 29 N N -0.682 118.045 118.700 0.046 0.000 2.533 29 N HA 0.237 nan 4.740 nan 0.000 0.289 29 N C -2.212 173.303 175.510 0.008 0.000 1.103 29 N CA -2.513 50.554 53.050 0.028 0.000 0.877 29 N CB 1.870 40.378 38.487 0.035 0.000 1.419 29 N HN -0.474 8.269 8.380 0.057 -0.330 0.517 30 P HA 0.060 nan 4.420 nan 0.000 0.227 30 P C 0.271 177.516 177.300 -0.092 0.000 1.161 30 P CA 0.795 63.871 63.100 -0.039 0.000 0.788 30 P CB 0.922 32.611 31.700 -0.019 0.000 0.822 31 A N -0.458 122.322 122.820 -0.067 0.000 2.121 31 A HA -0.194 nan 4.320 nan 0.000 0.218 31 A C 0.587 178.110 177.584 -0.101 0.000 1.154 31 A CA 2.368 54.356 52.037 -0.082 0.000 0.679 31 A CB -0.807 18.163 19.000 -0.049 0.000 0.795 31 A HN -0.204 8.112 8.150 -0.040 -0.190 0.458 32 N N -4.111 114.534 118.700 -0.092 0.000 2.314 32 N HA -0.038 nan 4.740 nan 0.000 0.200 32 N C -0.537 174.866 175.510 -0.178 0.000 1.135 32 N CA -0.814 52.169 53.050 -0.111 0.000 0.835 32 N CB -0.362 38.084 38.487 -0.070 0.000 0.989 32 N HN -0.138 8.184 8.380 -0.064 0.020 0.478 33 N N 2.184 120.738 118.700 -0.244 0.000 2.497 33 N HA 0.221 nan 4.740 nan 0.000 0.271 33 N C -1.916 173.306 175.510 -0.479 0.000 1.142 33 N CA -1.558 51.255 53.050 -0.396 0.000 0.965 33 N CB -0.584 37.483 38.487 -0.700 0.000 1.077 33 N HN -0.387 7.699 8.380 -0.237 0.151 0.462 34 P HA -0.037 nan 4.420 nan 0.000 0.267 34 P C -1.378 175.736 177.300 -0.311 0.000 1.195 34 P CA 0.319 63.229 63.100 -0.317 0.000 0.773 34 P CB 0.806 32.321 31.700 -0.307 0.000 0.837 35 T N -3.058 111.406 114.554 -0.150 0.000 2.927 35 T HA 0.185 nan 4.350 nan 0.000 0.286 35 T C -0.167 174.556 174.700 0.039 0.000 1.040 35 T CA -1.496 60.553 62.100 -0.086 0.000 1.010 35 T CB 2.157 70.957 68.868 -0.112 0.000 1.177 35 T HN -0.390 7.778 8.240 -0.119 0.000 0.546 36 G N 0.495 109.333 108.800 0.062 0.000 2.528 36 G HA2 -0.351 nan 3.960 nan 0.000 0.262 36 G HA3 -0.351 nan 3.960 nan 0.000 0.262 36 G C 0.325 175.293 174.900 0.113 0.000 1.200 36 G CA 0.363 45.506 45.100 0.071 0.000 0.951 36 G HN -0.043 8.282 8.290 0.057 0.000 0.566 37 A N 1.627 124.502 122.820 0.092 0.000 2.168 37 A HA 0.049 nan 4.320 nan 0.000 0.215 37 A C 0.055 177.718 177.584 0.133 0.000 1.152 37 A CA 1.432 53.528 52.037 0.097 0.000 0.716 37 A CB -0.480 18.563 19.000 0.073 0.000 0.794 37 A HN 0.269 8.462 8.150 0.071 0.000 0.465 38 A N -3.577 119.344 122.820 0.169 0.000 2.238 38 A HA 0.032 nan 4.320 nan 0.000 0.208 38 A C -1.157 176.630 177.584 0.339 0.000 1.177 38 A CA 0.817 53.001 52.037 0.244 0.000 0.804 38 A CB 0.726 19.861 19.000 0.225 0.000 0.823 38 A HN -0.590 7.599 8.150 0.146 0.048 0.482 39 F N -2.906 117.100 119.950 0.093 0.000 2.565 39 F HA 0.434 nan 4.527 nan 0.000 0.313 39 F C -1.912 173.922 175.800 0.056 0.000 1.091 39 F CA -0.942 57.109 58.000 0.085 0.000 0.915 39 F CB 3.769 42.791 39.000 0.037 0.000 1.208 39 F HN -0.748 7.646 8.300 0.273 0.070 0.453 40 D N 6.288 126.160 120.400 -0.879 0.000 2.527 40 D HA 0.239 nan 4.640 nan 0.000 0.242 40 D C 0.502 176.294 176.300 -0.846 0.000 1.285 40 D CA -0.218 53.390 54.000 -0.653 0.000 0.886 40 D CB 1.197 41.816 40.800 -0.301 0.000 1.402 40 D HN 0.726 8.355 8.370 -1.235 0.000 0.528 41 G N 1.636 109.859 108.800 -0.962 0.000 2.501 41 G HA2 -0.302 nan 3.960 nan 0.000 0.220 41 G HA3 -0.302 nan 3.960 nan 0.000 0.220 41 G C 0.742 175.536 174.900 -0.176 0.000 1.114 41 G CA 1.984 46.842 45.100 -0.403 0.000 0.757 41 G HN 0.394 8.112 8.290 -0.953 0.000 0.559 42 S N 0.174 115.778 115.700 -0.160 0.000 2.522 42 S HA -0.053 nan 4.470 nan 0.000 0.227 42 S C 0.613 175.149 174.600 -0.107 0.000 0.986 42 S CA 0.229 58.371 58.200 -0.096 0.000 0.929 42 S CB 0.469 63.627 63.200 -0.070 0.000 0.769 42 S HN -0.724 7.579 8.310 -0.182 -0.102 0.529 43 c N 3.543 122.046 118.600 -0.162 0.000 3.886 43 c HA -0.204 nan 4.570 nan 0.000 0.295 43 c C 1.005 175.024 174.090 -0.119 0.000 1.411 43 c CA 0.650 56.885 56.329 -0.157 0.000 2.059 43 c CB -1.804 40.632 42.510 -0.125 0.000 1.329 43 c HN 0.107 8.005 8.230 -0.227 0.196 0.670 44 T N -3.992 110.498 114.554 -0.106 0.000 3.044 44 T HA -0.088 nan 4.350 nan 0.000 0.255 44 T C 0.580 175.232 174.700 -0.079 0.000 1.073 44 T CA 0.983 63.036 62.100 -0.078 0.000 1.125 44 T CB 0.665 69.498 68.868 -0.058 0.000 0.908 44 T HN -0.295 8.024 8.240 -0.115 -0.148 0.480 45 N N 2.707 121.349 118.700 -0.096 0.000 2.500 45 N HA 0.140 nan 4.740 nan 0.000 0.236 45 N C 0.097 175.521 175.510 -0.143 0.000 1.022 45 N CA -1.327 51.670 53.050 -0.088 0.000 0.935 45 N CB 0.261 38.709 38.487 -0.065 0.000 1.147 45 N HN -0.328 8.305 8.380 -0.111 -0.320 0.512 46 L N 3.767 124.901 121.223 -0.147 0.000 2.622 46 L HA -0.072 nan 4.340 nan 0.000 0.233 46 L C 0.759 177.406 176.870 -0.371 0.000 1.156 46 L CA 0.553 55.246 54.840 -0.244 0.000 0.866 46 L CB -0.687 41.276 42.059 -0.160 0.000 0.980 46 L HN 0.577 8.746 8.230 -0.102 0.000 0.448 47 R N -2.450 117.929 120.500 -0.202 0.000 2.334 47 R HA 0.093 nan 4.340 nan 0.000 0.216 47 R C -0.555 175.668 176.300 -0.129 0.000 0.905 47 R CA -0.608 55.435 56.100 -0.096 0.000 1.064 47 R CB 0.027 30.393 30.300 0.112 0.000 1.046 47 R HN -0.661 7.707 8.270 -0.118 -0.169 0.508 48 L N 0.100 121.193 121.223 -0.218 0.000 2.376 48 L HA 0.354 nan 4.340 nan 0.000 0.267 48 L C -1.664 175.112 176.870 -0.157 0.000 1.035 48 L CA -1.356 53.426 54.840 -0.097 0.000 0.800 48 L CB 2.368 44.390 42.059 -0.061 0.000 1.290 48 L HN -0.644 7.338 8.230 -0.294 0.072 0.462 49 Y N -1.757 118.533 120.300 -0.017 0.000 2.346 49 Y HA -0.147 nan 4.550 nan 0.000 0.330 49 Y C 0.940 176.743 175.900 -0.160 0.000 1.178 49 Y CA 2.080 60.206 58.100 0.044 0.000 1.331 49 Y CB 0.454 39.055 38.460 0.235 0.000 1.253 49 Y HN -0.142 8.340 8.280 0.335 0.000 0.529 50 c N 1.799 120.430 118.600 0.051 0.000 2.791 50 c HA 0.238 nan 4.570 nan 0.000 0.288 50 c C 0.619 174.838 174.090 0.215 0.000 1.271 50 c CA -0.186 56.078 56.329 -0.107 0.000 1.726 50 c CB 0.927 43.392 42.510 -0.075 0.000 2.145 50 c HN 0.633 9.386 8.230 0.093 -0.467 0.572 51 G N -1.394 107.660 108.800 0.423 0.000 2.211 51 G HA2 -0.234 nan 3.960 nan 0.000 0.201 51 G HA3 -0.234 nan 3.960 nan 0.000 0.201 51 G C -0.366 174.689 174.900 0.259 0.000 0.997 51 G CA -0.117 45.248 45.100 0.442 0.000 0.652 51 G HN 0.001 8.878 8.290 0.414 -0.339 0.500 52 G N 0.423 109.360 108.800 0.228 0.000 2.474 52 G HA2 -0.207 nan 3.960 nan 0.000 0.233 52 G HA3 -0.207 nan 3.960 nan 0.000 0.233 52 G C -1.498 173.486 174.900 0.140 0.000 1.278 52 G CA 0.589 45.794 45.100 0.176 0.000 0.861 52 G HN -0.760 7.669 8.290 0.231 0.000 0.567 53 D N 1.118 121.575 120.400 0.095 0.000 2.838 53 D HA 0.365 nan 4.640 nan 0.000 0.334 53 D C -0.420 175.944 176.300 0.107 0.000 1.315 53 D CA -0.951 53.048 54.000 -0.000 0.000 0.917 53 D CB 1.274 42.093 40.800 0.030 0.000 1.435 53 D HN -0.014 8.440 8.370 0.140 0.000 0.517 54 W N -1.072 120.285 121.300 0.094 0.000 2.418 54 W HA -0.150 nan 4.660 nan 0.000 0.292 54 W C 1.857 178.417 176.519 0.068 0.000 1.213 54 W CA 2.436 59.825 57.345 0.073 0.000 1.283 54 W CB -0.110 29.421 29.460 0.118 0.000 1.119 54 W HN 0.090 8.237 8.180 -0.055 0.000 0.542 55 Q N -0.180 119.785 119.800 0.275 0.000 2.170 55 Q HA -0.315 nan 4.340 nan 0.000 0.203 55 Q C 2.479 178.558 176.000 0.132 0.000 0.976 55 Q CA 2.980 58.884 55.803 0.168 0.000 0.858 55 Q CB -0.927 27.887 28.738 0.126 0.000 0.907 55 Q HN 0.158 8.587 8.270 0.264 0.000 0.433 56 G N -2.742 106.147 108.800 0.149 0.000 2.484 56 G HA2 -0.132 nan 3.960 nan 0.000 0.218 56 G HA3 -0.132 nan 3.960 nan 0.000 0.218 56 G C 0.988 176.010 174.900 0.204 0.000 1.130 56 G CA 1.636 46.812 45.100 0.127 0.000 0.784 56 G HN -0.055 8.366 8.290 0.175 -0.026 0.543 57 I N 2.039 122.769 120.570 0.266 0.000 2.429 57 I HA -0.329 nan 4.170 nan 0.000 0.247 57 I C 1.227 177.432 176.117 0.146 0.000 1.099 57 I CA 2.688 64.160 61.300 0.287 0.000 1.422 57 I CB 0.277 38.402 38.000 0.208 0.000 1.112 57 I HN -0.749 7.470 8.210 0.256 0.145 0.430 58 I N 0.708 121.335 120.570 0.095 0.000 2.185 58 I HA -0.706 nan 4.170 nan 0.000 0.246 58 I C 1.961 178.078 176.117 0.001 0.000 1.088 58 I CA 4.713 66.031 61.300 0.029 0.000 1.347 58 I CB -0.624 37.403 38.000 0.045 0.000 1.041 58 I HN 0.039 8.329 8.210 0.132 0.000 0.415 59 N N -0.698 118.011 118.700 0.015 0.000 2.142 59 N HA -0.227 nan 4.740 nan 0.000 0.186 59 N C 1.814 177.288 175.510 -0.060 0.000 1.023 59 N CA 3.247 56.278 53.050 -0.032 0.000 0.852 59 N CB -0.605 37.848 38.487 -0.056 0.000 0.998 59 N HN 0.027 8.434 8.380 0.045 0.000 0.424 60 K N -0.497 119.895 120.400 -0.014 0.000 2.444 60 K HA 0.005 nan 4.320 nan 0.000 0.193 60 K C 1.627 178.275 176.600 0.080 0.000 1.024 60 K CA 0.289 56.583 56.287 0.012 0.000 1.077 60 K CB -0.679 31.870 32.500 0.080 0.000 0.833 60 K HN -0.587 7.604 8.250 0.062 0.097 0.517 61 I N 1.944 122.509 120.570 -0.008 0.000 2.270 61 I HA -0.427 nan 4.170 nan 0.000 0.239 61 I C 2.123 178.092 176.117 -0.246 0.000 1.080 61 I CA 4.016 65.234 61.300 -0.137 0.000 1.383 61 I CB 0.169 38.042 38.000 -0.211 0.000 1.097 61 I HN 0.138 8.315 8.210 0.002 0.035 0.420 62 N N 0.306 118.871 118.700 -0.225 0.000 2.069 62 N HA -0.294 nan 4.740 nan 0.000 0.191 62 N C 1.536 177.016 175.510 -0.049 0.000 1.031 62 N CA 2.734 55.694 53.050 -0.150 0.000 0.852 62 N CB -0.105 38.344 38.487 -0.064 0.000 1.018 62 N HN 0.002 8.282 8.380 -0.166 0.000 0.423 63 D N -4.217 116.159 120.400 -0.040 0.000 2.363 63 D HA -0.039 nan 4.640 nan 0.000 0.226 63 D C 1.019 177.332 176.300 0.022 0.000 1.020 63 D CA -0.260 53.731 54.000 -0.014 0.000 0.892 63 D CB -0.330 40.442 40.800 -0.047 0.000 0.900 63 D HN -0.340 7.996 8.370 -0.055 0.000 0.531 64 G N -1.184 107.629 108.800 0.022 0.000 2.148 64 G HA2 -0.419 nan 3.960 nan 0.000 0.254 64 G HA3 -0.419 nan 3.960 nan 0.000 0.254 64 G C 0.061 175.025 174.900 0.106 0.000 0.981 64 G CA 0.592 45.721 45.100 0.050 0.000 0.670 64 G HN -0.160 7.904 8.290 -0.019 0.215 0.528 65 Y N 2.279 122.591 120.300 0.019 0.000 2.242 65 Y HA -0.271 nan 4.550 nan 0.000 0.291 65 Y C 0.422 176.402 175.900 0.134 0.000 1.137 65 Y CA 4.018 62.185 58.100 0.111 0.000 1.181 65 Y CB 0.348 38.850 38.460 0.069 0.000 0.989 65 Y HN -0.414 8.185 8.280 0.199 -0.200 0.527 66 L N -2.071 119.179 121.223 0.044 0.000 2.084 66 L HA -0.197 nan 4.340 nan 0.000 0.202 66 L C 2.242 179.017 176.870 -0.159 0.000 1.074 66 L CA 2.636 57.395 54.840 -0.135 0.000 0.757 66 L CB -1.062 40.980 42.059 -0.028 0.000 0.918 66 L HN 0.087 8.412 8.230 0.158 0.000 0.444 67 T N -3.761 110.753 114.554 -0.067 0.000 2.833 67 T HA -0.232 nan 4.350 nan 0.000 0.269 67 T C 2.639 177.309 174.700 -0.050 0.000 1.054 67 T CA 3.534 65.608 62.100 -0.043 0.000 1.135 67 T CB -0.703 68.176 68.868 0.018 0.000 0.869 67 T HN 0.104 8.324 8.240 -0.033 0.000 0.466 68 G N 1.914 110.703 108.800 -0.020 0.000 2.448 68 G HA2 -0.232 nan 3.960 nan 0.000 0.219 68 G HA3 -0.232 nan 3.960 nan 0.000 0.219 68 G C 0.283 175.155 174.900 -0.047 0.000 1.127 68 G CA 1.481 46.606 45.100 0.043 0.000 0.766 68 G HN 0.247 8.416 8.290 -0.002 0.120 0.552 69 M N 0.189 119.616 119.600 -0.288 0.000 2.558 69 M HA 0.002 nan 4.480 nan 0.000 0.255 69 M C -0.491 175.607 176.300 -0.337 0.000 1.113 69 M CA 0.380 55.323 55.300 -0.595 0.000 1.097 69 M CB 0.995 33.069 32.600 -0.876 0.000 1.426 69 M HN -0.655 7.335 8.290 -0.266 0.141 0.488 70 G N -2.298 106.377 108.800 -0.208 0.000 2.141 70 G HA2 -0.289 nan 3.960 nan 0.000 0.231 70 G HA3 -0.289 nan 3.960 nan 0.000 0.231 70 G C -0.472 174.349 174.900 -0.132 0.000 0.984 70 G CA -0.149 44.864 45.100 -0.146 0.000 0.660 70 G HN -0.514 7.489 8.290 -0.178 0.181 0.525 71 I N -0.012 120.469 120.570 -0.148 0.000 2.618 71 I HA -0.117 nan 4.170 nan 0.000 0.284 71 I C 0.775 176.858 176.117 -0.058 0.000 1.146 71 I CA 0.298 61.542 61.300 -0.094 0.000 1.425 71 I CB -0.535 37.383 38.000 -0.137 0.000 1.383 71 I HN -0.717 7.336 8.210 -0.193 0.042 0.562 72 T N 3.358 117.889 114.554 -0.039 0.000 3.043 72 T HA 0.297 nan 4.350 nan 0.000 0.272 72 T C -1.151 173.534 174.700 -0.025 0.000 0.990 72 T CA -0.528 61.539 62.100 -0.056 0.000 0.897 72 T CB 1.228 70.026 68.868 -0.116 0.000 1.111 72 T HN 0.452 8.676 8.240 -0.027 0.000 0.529 73 A N 0.862 123.720 122.820 0.064 0.000 2.486 73 A HA 0.883 nan 4.320 nan 0.000 0.300 73 A C -3.249 174.481 177.584 0.244 0.000 1.048 73 A CA -0.668 51.470 52.037 0.168 0.000 0.696 73 A CB 2.881 22.047 19.000 0.277 0.000 1.278 73 A HN -0.176 8.022 8.150 0.081 0.000 0.405 74 I N 1.139 121.865 120.570 0.260 0.000 2.433 74 I HA 0.691 nan 4.170 nan 0.000 0.292 74 I C -2.906 173.421 176.117 0.350 0.000 1.001 74 I CA -1.470 59.985 61.300 0.258 0.000 1.119 74 I CB 4.285 42.370 38.000 0.141 0.000 1.289 74 I HN 0.605 8.968 8.210 0.255 0.000 0.438 75 W N 9.780 131.157 121.300 0.129 0.000 2.318 75 W HA 0.661 nan 4.660 nan 0.000 0.315 75 W C -2.457 174.073 176.519 0.018 0.000 1.033 75 W CA -3.250 54.166 57.345 0.119 0.000 1.275 75 W CB 1.327 30.900 29.460 0.188 0.000 1.250 75 W HN 0.733 9.119 8.180 0.344 0.000 0.421 76 I N 1.094 121.808 120.570 0.240 0.000 2.822 76 I HA 0.682 nan 4.170 nan 0.000 0.312 76 I C -1.079 174.992 176.117 -0.076 0.000 1.011 76 I CA -2.697 58.595 61.300 -0.014 0.000 1.105 76 I CB 3.016 41.044 38.000 0.047 0.000 1.291 76 I HN 0.695 9.126 8.210 0.368 0.000 0.474 77 S N 0.183 115.707 115.700 -0.293 0.000 2.566 77 S HA -0.250 nan 4.470 nan 0.000 0.280 77 S C -0.364 174.149 174.600 -0.145 0.000 1.343 77 S CA 1.838 59.797 58.200 -0.403 0.000 1.036 77 S CB 0.202 63.070 63.200 -0.553 0.000 0.866 77 S HN -0.207 7.887 8.310 -0.358 0.000 0.526 78 Q N 3.301 122.988 119.800 -0.188 0.000 2.269 78 Q HA -0.100 nan 4.340 nan 0.000 0.300 78 Q C -0.732 175.283 176.000 0.024 0.000 1.070 78 Q CA -0.576 55.171 55.803 -0.094 0.000 0.957 78 Q CB 0.350 28.992 28.738 -0.159 0.000 1.131 78 Q HN 0.424 8.458 8.270 -0.394 0.000 0.377 79 P HA 0.008 nan 4.420 nan 0.000 0.241 79 P C -1.437 175.921 177.300 0.097 0.000 1.191 79 P CA 0.698 63.875 63.100 0.129 0.000 0.771 79 P CB 0.322 31.758 31.700 -0.440 0.000 0.929 80 V N 0.555 120.425 119.914 -0.075 0.000 2.649 80 V HA -0.045 nan 4.120 nan 0.000 0.292 80 V C -0.509 175.535 176.094 -0.084 0.000 1.055 80 V CA -0.214 62.073 62.300 -0.023 0.000 1.023 80 V CB 0.181 31.880 31.823 -0.206 0.000 0.992 80 V HN -0.409 7.604 8.190 -0.126 0.102 0.480 81 E N 7.174 127.358 120.200 -0.027 0.000 2.480 81 E HA -0.259 nan 4.350 nan 0.000 0.258 81 E C -1.365 175.099 176.600 -0.227 0.000 0.984 81 E CA 0.825 57.149 56.400 -0.127 0.000 0.930 81 E CB 1.414 31.086 29.700 -0.046 0.000 0.936 81 E HN 0.082 8.417 8.360 0.089 0.078 0.466 82 N N 3.234 121.735 118.700 -0.333 0.000 2.518 82 N HA 0.667 nan 4.740 nan 0.000 0.284 82 N C -0.092 175.156 175.510 -0.437 0.000 1.230 82 N CA -0.615 52.256 53.050 -0.298 0.000 0.941 82 N CB 2.830 41.169 38.487 -0.248 0.000 1.219 82 N HN -0.060 8.084 8.380 -0.393 0.000 0.560 83 I N -3.613 116.839 120.570 -0.197 0.000 2.692 83 I HA -0.108 nan 4.170 nan 0.000 0.284 83 I C 0.015 175.983 176.117 -0.248 0.000 1.159 83 I CA 0.803 61.995 61.300 -0.180 0.000 1.423 83 I CB 0.231 38.235 38.000 0.007 0.000 1.380 83 I HN -0.144 8.052 8.210 -0.024 0.000 0.580 84 Y N 3.866 124.184 120.300 0.031 0.000 2.523 84 Y HA -0.112 nan 4.550 nan 0.000 0.279 84 Y C 0.282 176.209 175.900 0.045 0.000 1.139 84 Y CA 1.052 59.166 58.100 0.024 0.000 1.296 84 Y CB 0.075 38.520 38.460 -0.025 0.000 1.045 84 Y HN 0.159 8.722 8.280 0.002 -0.282 0.538 85 S N -0.188 115.600 115.700 0.145 0.000 2.576 85 S HA -0.042 nan 4.470 nan 0.000 0.276 85 S C -0.591 174.072 174.600 0.106 0.000 1.339 85 S CA 0.024 58.271 58.200 0.079 0.000 1.039 85 S CB 0.882 64.059 63.200 -0.039 0.000 0.902 85 S HN -0.730 7.600 8.310 0.101 0.041 0.516 86 V N 2.546 122.509 119.914 0.082 0.000 2.432 86 V HA 0.080 nan 4.120 nan 0.000 0.275 86 V C -0.848 175.266 176.094 0.034 0.000 1.043 86 V CA -0.429 61.935 62.300 0.106 0.000 0.925 86 V CB 0.375 32.257 31.823 0.099 0.000 0.985 86 V HN 0.082 8.303 8.190 0.052 0.000 0.466 87 I N 8.163 128.763 120.570 0.050 0.000 2.377 87 I HA 0.163 nan 4.170 nan 0.000 0.293 87 I C -1.490 174.576 176.117 -0.084 0.000 0.987 87 I CA -1.209 60.019 61.300 -0.121 0.000 1.185 87 I CB 2.475 40.320 38.000 -0.258 0.000 1.341 87 I HN 0.839 9.150 8.210 0.169 0.000 0.455 88 N N 5.445 124.071 118.700 -0.123 0.000 2.455 88 N HA 0.086 nan 4.740 nan 0.000 0.280 88 N C -1.404 174.025 175.510 -0.135 0.000 1.055 88 N CA -0.280 52.745 53.050 -0.042 0.000 0.961 88 N CB 1.550 40.038 38.487 0.002 0.000 1.121 88 N HN 0.297 8.603 8.380 -0.123 0.000 0.476 89 Y N 4.775 125.146 120.300 0.119 0.000 2.373 89 Y HA 0.102 nan 4.550 nan 0.000 0.327 89 Y C -0.811 175.129 175.900 0.066 0.000 1.036 89 Y CA -0.893 57.266 58.100 0.098 0.000 1.265 89 Y CB 2.237 40.763 38.460 0.110 0.000 1.108 89 Y HN 0.677 8.967 8.280 0.221 0.122 0.471 90 S N 4.838 120.645 115.700 0.179 0.000 3.711 90 S HA -0.549 nan 4.470 nan 0.000 0.374 90 S C 0.594 175.249 174.600 0.092 0.000 0.969 90 S CA 0.274 58.541 58.200 0.111 0.000 1.198 90 S CB -1.636 61.626 63.200 0.103 0.000 0.903 90 S HN 1.086 9.488 8.310 0.154 0.000 0.493 91 G N -2.901 105.948 108.800 0.082 0.000 2.396 91 G HA2 -0.536 nan 3.960 nan 0.000 0.242 91 G HA3 -0.536 nan 3.960 nan 0.000 0.242 91 G C -0.686 174.264 174.900 0.084 0.000 1.069 91 G CA 0.434 45.574 45.100 0.067 0.000 0.633 91 G HN 0.001 8.553 8.290 0.080 -0.214 0.517 92 V N 4.316 124.301 119.914 0.118 0.000 2.455 92 V HA -0.056 nan 4.120 nan 0.000 0.273 92 V C -0.130 176.064 176.094 0.167 0.000 1.045 92 V CA -0.093 62.286 62.300 0.131 0.000 0.976 92 V CB -0.731 31.177 31.823 0.142 0.000 0.993 92 V HN -0.243 7.850 8.190 0.135 0.178 0.475 93 N N 8.967 127.745 118.700 0.129 0.000 2.525 93 N HA 0.191 nan 4.740 nan 0.000 0.271 93 N C -1.349 174.276 175.510 0.192 0.000 1.194 93 N CA 0.270 53.404 53.050 0.139 0.000 0.964 93 N CB 1.228 39.774 38.487 0.099 0.000 1.126 93 N HN 0.256 8.695 8.380 0.099 0.000 0.452 94 N N 0.170 119.023 118.700 0.255 0.000 2.264 94 N HA 0.486 nan 4.740 nan 0.000 0.288 94 N C -1.621 174.087 175.510 0.330 0.000 1.094 94 N CA -0.271 52.984 53.050 0.342 0.000 0.817 94 N CB 4.855 43.699 38.487 0.595 0.000 1.604 94 N HN 0.278 8.705 8.380 0.225 0.088 0.473 95 T N -2.866 111.814 114.554 0.210 0.000 2.883 95 T HA 0.621 nan 4.350 nan 0.000 0.284 95 T C -1.801 172.679 174.700 -0.365 0.000 1.041 95 T CA -2.269 59.897 62.100 0.109 0.000 1.007 95 T CB 2.863 71.808 68.868 0.130 0.000 1.220 95 T HN 0.490 8.838 8.240 0.181 0.000 0.552 96 A N -0.190 122.371 122.820 -0.431 0.000 2.648 96 A HA 0.345 nan 4.320 nan 0.000 0.269 96 A C 1.044 177.895 177.584 -1.221 0.000 1.392 96 A CA -0.274 51.204 52.037 -0.931 0.000 1.019 96 A CB -0.966 17.877 19.000 -0.261 0.000 1.009 96 A HN 0.580 8.702 8.150 -0.046 0.000 0.565 97 Y N -1.593 117.891 120.300 -1.360 0.000 2.207 97 Y HA -0.503 nan 4.550 nan 0.000 0.287 97 Y C 0.266 175.833 175.900 -0.555 0.000 1.156 97 Y CA 2.859 60.225 58.100 -1.223 0.000 1.182 97 Y CB -1.157 36.783 38.460 -0.867 0.000 0.979 97 Y HN -0.678 6.945 8.280 -0.948 0.089 0.521 98 H N -4.922 113.351 119.070 -1.327 0.000 2.545 98 H HA -0.208 nan 4.556 nan 0.000 0.282 98 H C 1.670 176.479 175.328 -0.864 0.000 1.020 98 H CA -0.617 54.854 56.048 -0.962 0.000 1.243 98 H CB -0.599 28.690 29.762 -0.788 0.000 1.377 98 H HN -0.341 6.235 8.280 -2.812 0.016 0.581 99 G N -1.105 107.381 108.800 -0.524 0.000 2.205 99 G HA2 -0.421 nan 3.960 nan 0.000 0.261 99 G HA3 -0.421 nan 3.960 nan 0.000 0.261 99 G C 0.145 174.907 174.900 -0.231 0.000 0.980 99 G CA 1.027 45.930 45.100 -0.329 0.000 0.632 99 G HN -0.060 7.620 8.290 -0.734 0.170 0.533 100 Y N -4.070 116.275 120.300 0.075 0.000 2.583 100 Y HA -0.060 nan 4.550 nan 0.000 0.293 100 Y C -0.639 175.468 175.900 0.344 0.000 1.157 100 Y CA -0.439 57.725 58.100 0.108 0.000 1.315 100 Y CB 0.021 38.454 38.460 -0.045 0.000 1.021 100 Y HN -0.838 7.214 8.280 -0.182 0.119 0.536 101 W N -1.562 119.879 121.300 0.234 0.000 2.227 101 W HA 0.313 nan 4.660 nan 0.000 0.308 101 W C -1.390 175.118 176.519 -0.018 0.000 0.882 101 W CA -3.410 54.017 57.345 0.137 0.000 1.707 101 W CB -1.683 27.847 29.460 0.116 0.000 1.782 101 W HN -0.640 7.622 8.180 0.217 0.049 0.385 102 A N 1.920 124.804 122.820 0.106 0.000 2.366 102 A HA 0.337 nan 4.320 nan 0.000 0.249 102 A C -0.795 176.758 177.584 -0.052 0.000 1.084 102 A CA 0.704 52.632 52.037 -0.180 0.000 0.794 102 A CB 1.034 19.588 19.000 -0.744 0.000 1.034 102 A HN -0.023 8.239 8.150 0.186 0.000 0.491 103 R N -4.060 116.404 120.500 -0.060 0.000 2.676 103 R HA 0.245 nan 4.340 nan 0.000 0.241 103 R C -1.294 175.154 176.300 0.246 0.000 0.964 103 R CA 0.460 56.649 56.100 0.149 0.000 1.054 103 R CB 3.052 33.436 30.300 0.140 0.000 1.603 103 R HN 0.639 8.813 8.270 -0.159 0.000 0.577 104 D N -0.553 119.921 120.400 0.125 0.000 2.616 104 D HA 0.320 nan 4.640 nan 0.000 0.238 104 D C -1.636 174.827 176.300 0.271 0.000 1.354 104 D CA -0.472 53.713 54.000 0.308 0.000 0.970 104 D CB 2.321 43.253 40.800 0.221 0.000 1.369 104 D HN -0.507 7.841 8.370 -0.037 0.000 0.585 105 F N 2.923 123.100 119.950 0.379 0.000 2.748 105 F HA -0.143 nan 4.527 nan 0.000 0.299 105 F C 0.662 176.720 175.800 0.432 0.000 1.154 105 F CA 1.602 59.816 58.000 0.357 0.000 1.446 105 F CB 0.358 39.522 39.000 0.272 0.000 1.112 105 F HN 0.383 9.285 8.300 1.003 0.000 0.584 106 K N -2.554 118.113 120.400 0.444 0.000 2.372 106 K HA 0.057 nan 4.320 nan 0.000 0.200 106 K C -0.348 176.352 176.600 0.167 0.000 1.022 106 K CA 0.095 56.517 56.287 0.225 0.000 1.125 106 K CB 0.450 33.048 32.500 0.164 0.000 0.855 106 K HN -0.522 8.178 8.250 0.468 -0.169 0.524 107 K N -1.785 118.775 120.400 0.266 0.000 2.400 107 K HA 0.307 nan 4.320 nan 0.000 0.246 107 K C -1.461 175.328 176.600 0.314 0.000 0.995 107 K CA -1.212 55.201 56.287 0.210 0.000 0.840 107 K CB 4.104 36.693 32.500 0.148 0.000 1.293 107 K HN -0.810 7.591 8.250 0.345 0.057 0.445 108 T N -3.122 111.616 114.554 0.306 0.000 2.882 108 T HA 0.147 nan 4.350 nan 0.000 0.287 108 T C -0.598 174.179 174.700 0.127 0.000 1.014 108 T CA -1.489 60.829 62.100 0.364 0.000 1.049 108 T CB 0.540 69.722 68.868 0.524 0.000 1.001 108 T HN -0.236 8.148 8.240 0.241 0.000 0.525 109 N N 2.381 121.076 118.700 -0.009 0.000 2.405 109 N HA 0.197 nan 4.740 nan 0.000 0.260 109 N C 0.086 175.435 175.510 -0.268 0.000 1.152 109 N CA -2.984 49.907 53.050 -0.266 0.000 0.948 109 N CB 0.178 38.296 38.487 -0.614 0.000 1.111 109 N HN -0.017 8.417 8.380 0.091 0.000 0.485 110 P HA -0.060 nan 4.420 nan 0.000 0.230 110 P C -0.664 176.535 177.300 -0.168 0.000 1.158 110 P CA 1.299 64.343 63.100 -0.093 0.000 0.769 110 P CB -0.166 31.529 31.700 -0.008 0.000 0.807 111 A N -1.893 120.759 122.820 -0.281 0.000 2.014 111 A HA -0.185 nan 4.320 nan 0.000 0.218 111 A C 0.768 178.266 177.584 -0.143 0.000 1.163 111 A CA 2.259 54.128 52.037 -0.279 0.000 0.652 111 A CB -0.149 18.559 19.000 -0.487 0.000 0.808 111 A HN -0.414 7.717 8.150 -0.345 -0.188 0.449 112 Y N -4.369 115.667 120.300 -0.440 0.000 2.301 112 Y HA -0.047 nan 4.550 nan 0.000 0.295 112 Y C -0.133 175.257 175.900 -0.851 0.000 1.119 112 Y CA -0.205 57.386 58.100 -0.849 0.000 1.162 112 Y CB 1.318 38.906 38.460 -1.454 0.000 1.046 112 Y HN -0.484 7.376 8.280 -0.463 0.142 0.538 113 G N -6.068 102.470 108.800 -0.438 0.000 2.337 113 G HA2 -0.103 nan 3.960 nan 0.000 0.298 113 G HA3 -0.103 nan 3.960 nan 0.000 0.298 113 G C -2.519 172.508 174.900 0.212 0.000 1.335 113 G CA 0.075 45.179 45.100 0.007 0.000 0.875 113 G HN -0.457 7.567 8.290 -0.443 0.000 0.579 114 T N -4.463 110.283 114.554 0.320 0.000 2.814 114 T HA 0.376 nan 4.350 nan 0.000 0.284 114 T C 1.155 176.118 174.700 0.439 0.000 0.998 114 T CA -1.100 61.176 62.100 0.295 0.000 0.935 114 T CB 2.442 71.424 68.868 0.190 0.000 1.167 114 T HN -0.119 8.567 8.240 0.314 -0.257 0.545 115 M N 1.519 121.302 119.600 0.305 0.000 2.132 115 M HA -0.288 nan 4.480 nan 0.000 0.263 115 M C 1.308 177.767 176.300 0.265 0.000 1.065 115 M CA 3.734 59.200 55.300 0.276 0.000 1.122 115 M CB -0.516 32.171 32.600 0.144 0.000 1.365 115 M HN 0.390 8.814 8.290 0.222 0.000 0.411 116 Q N -1.482 118.440 119.800 0.204 0.000 2.124 116 Q HA -0.347 nan 4.340 nan 0.000 0.202 116 Q C 1.905 178.019 176.000 0.191 0.000 0.977 116 Q CA 3.271 59.170 55.803 0.160 0.000 0.850 116 Q CB -1.197 27.613 28.738 0.120 0.000 0.901 116 Q HN 0.060 8.438 8.270 0.181 0.000 0.429 117 D N -0.100 120.468 120.400 0.280 0.000 2.144 117 D HA -0.276 nan 4.640 nan 0.000 0.199 117 D C 2.416 178.905 176.300 0.315 0.000 0.984 117 D CA 3.316 57.520 54.000 0.340 0.000 0.834 117 D CB -0.401 40.698 40.800 0.499 0.000 0.955 117 D HN -0.225 8.248 8.370 0.297 0.076 0.465 118 F N 1.051 121.061 119.950 0.100 0.000 2.113 118 F HA -0.399 nan 4.527 nan 0.000 0.297 118 F C 0.973 176.667 175.800 -0.177 0.000 1.103 118 F CA 3.623 61.404 58.000 -0.364 0.000 1.248 118 F CB 0.513 39.297 39.000 -0.360 0.000 0.999 118 F HN -0.320 8.225 8.300 0.543 0.080 0.475 119 K N -1.162 119.280 120.400 0.070 0.000 2.044 119 K HA -0.547 nan 4.320 nan 0.000 0.210 119 K C 2.377 178.913 176.600 -0.106 0.000 1.049 119 K CA 3.864 60.138 56.287 -0.023 0.000 0.927 119 K CB -0.410 32.122 32.500 0.053 0.000 0.713 119 K HN -0.009 8.379 8.250 0.229 0.000 0.443 120 N N -0.627 118.049 118.700 -0.041 0.000 2.205 120 N HA -0.298 nan 4.740 nan 0.000 0.186 120 N C 2.129 177.572 175.510 -0.111 0.000 1.015 120 N CA 2.833 55.859 53.050 -0.040 0.000 0.862 120 N CB -0.424 38.079 38.487 0.026 0.000 0.986 120 N HN -0.179 8.215 8.380 0.024 0.000 0.429 121 L N 0.637 121.733 121.223 -0.211 0.000 2.093 121 L HA -0.181 nan 4.340 nan 0.000 0.208 121 L C 1.545 178.186 176.870 -0.381 0.000 1.085 121 L CA 3.175 57.838 54.840 -0.295 0.000 0.755 121 L CB -0.193 41.576 42.059 -0.484 0.000 0.904 121 L HN -0.482 7.505 8.230 -0.219 0.112 0.435 122 I N -0.604 119.656 120.570 -0.516 0.000 2.202 122 I HA -0.501 nan 4.170 nan 0.000 0.242 122 I C 2.313 178.100 176.117 -0.551 0.000 1.091 122 I CA 2.839 63.776 61.300 -0.606 0.000 1.368 122 I CB -1.685 35.973 38.000 -0.570 0.000 1.058 122 I HN -0.132 7.664 8.210 -0.536 0.093 0.410 123 D N -0.275 119.944 120.400 -0.302 0.000 2.117 123 D HA -0.232 nan 4.640 nan 0.000 0.197 123 D C 2.666 178.941 176.300 -0.042 0.000 0.987 123 D CA 3.818 57.735 54.000 -0.138 0.000 0.829 123 D CB -0.267 40.495 40.800 -0.063 0.000 0.961 123 D HN 0.268 8.483 8.370 -0.260 0.000 0.460 124 T N -4.163 110.376 114.554 -0.025 0.000 3.023 124 T HA 0.036 nan 4.350 nan 0.000 0.266 124 T C 1.797 176.582 174.700 0.142 0.000 1.093 124 T CA 2.818 64.976 62.100 0.097 0.000 1.129 124 T CB -0.321 68.583 68.868 0.060 0.000 0.899 124 T HN -0.180 8.015 8.240 -0.075 0.000 0.491 125 A N 1.936 124.760 122.820 0.007 0.000 1.898 125 A HA -0.236 nan 4.320 nan 0.000 0.216 125 A C 1.982 179.672 177.584 0.176 0.000 1.181 125 A CA 2.877 54.942 52.037 0.046 0.000 0.620 125 A CB -0.653 18.323 19.000 -0.039 0.000 0.819 125 A HN -0.106 7.988 8.150 -0.093 0.000 0.442 126 H N -1.028 118.050 119.070 0.013 0.000 2.395 126 H HA -0.117 nan 4.556 nan 0.000 0.299 126 H C 2.868 178.193 175.328 -0.005 0.000 1.070 126 H CA 1.037 57.082 56.048 -0.004 0.000 1.356 126 H CB -0.445 29.305 29.762 -0.020 0.000 1.401 126 H HN 0.110 8.317 8.280 0.015 0.081 0.524 127 A N -1.259 121.641 122.820 0.133 0.000 2.070 127 A HA -0.195 nan 4.320 nan 0.000 0.220 127 A C 0.515 178.010 177.584 -0.148 0.000 1.159 127 A CA 2.530 54.559 52.037 -0.013 0.000 0.656 127 A CB -0.583 18.393 19.000 -0.040 0.000 0.800 127 A HN 0.023 8.264 8.150 0.151 0.000 0.453 128 H N -4.026 115.054 119.070 0.017 0.000 2.487 128 H HA 0.172 nan 4.556 nan 0.000 0.290 128 H C -1.193 174.128 175.328 -0.011 0.000 1.081 128 H CA -0.395 55.653 56.048 0.001 0.000 1.116 128 H CB 0.574 30.338 29.762 0.004 0.000 1.560 128 H HN -0.729 7.531 8.280 0.235 0.161 0.548 129 N N -1.630 117.100 118.700 0.050 0.000 2.727 129 N HA -0.383 nan 4.740 nan 0.000 0.249 129 N C -1.279 174.226 175.510 -0.009 0.000 1.048 129 N CA 1.748 54.792 53.050 -0.011 0.000 0.714 129 N CB -1.529 36.930 38.487 -0.047 0.000 0.959 129 N HN -0.041 8.190 8.380 0.033 0.169 0.544 130 I N -0.442 120.159 120.570 0.052 0.000 2.474 130 I HA 0.156 nan 4.170 nan 0.000 0.294 130 I C -1.764 174.415 176.117 0.104 0.000 1.005 130 I CA -1.033 60.295 61.300 0.047 0.000 1.113 130 I CB 2.705 40.742 38.000 0.062 0.000 1.289 130 I HN 0.267 8.443 8.210 0.108 0.099 0.436 131 K N 5.515 125.945 120.400 0.050 0.000 2.098 131 K HA 0.553 nan 4.320 nan 0.000 0.261 131 K C -1.444 175.292 176.600 0.226 0.000 0.987 131 K CA -0.695 55.665 56.287 0.120 0.000 0.916 131 K CB 1.540 33.993 32.500 -0.079 0.000 1.039 131 K HN 0.583 8.721 8.250 -0.002 0.110 0.455 132 V N 1.951 122.025 119.914 0.267 0.000 2.443 132 V HA 0.665 nan 4.120 nan 0.000 0.293 132 V C -1.281 174.967 176.094 0.257 0.000 1.021 132 V CA -0.958 61.454 62.300 0.186 0.000 0.848 132 V CB 1.492 33.312 31.823 -0.004 0.000 0.998 132 V HN 0.421 9.073 8.190 0.328 -0.266 0.424 133 I N 7.207 127.949 120.570 0.286 0.000 2.377 133 I HA 0.666 nan 4.170 nan 0.000 0.293 133 I C -1.250 175.008 176.117 0.235 0.000 0.987 133 I CA -0.997 60.450 61.300 0.245 0.000 1.185 133 I CB 2.046 40.202 38.000 0.261 0.000 1.341 133 I HN 0.836 9.225 8.210 0.298 0.000 0.455 134 I N 0.939 121.604 120.570 0.160 0.000 2.562 134 I HA 0.667 nan 4.170 nan 0.000 0.301 134 I C -1.187 175.001 176.117 0.117 0.000 1.003 134 I CA -2.587 58.807 61.300 0.157 0.000 1.127 134 I CB 2.054 40.097 38.000 0.071 0.000 1.304 134 I HN 0.041 8.315 8.210 0.107 0.000 0.446 135 D N 3.633 124.136 120.400 0.172 0.000 2.372 135 D HA 0.225 nan 4.640 nan 0.000 0.243 135 D C -1.454 174.970 176.300 0.206 0.000 1.121 135 D CA 0.908 55.009 54.000 0.169 0.000 0.898 135 D CB 0.949 41.824 40.800 0.126 0.000 1.202 135 D HN -0.255 8.220 8.370 0.176 0.000 0.428 136 F N 1.729 121.708 119.950 0.047 0.000 2.588 136 F HA 0.259 nan 4.527 nan 0.000 0.318 136 F C -2.493 173.396 175.800 0.148 0.000 1.155 136 F CA -0.530 57.532 58.000 0.104 0.000 0.967 136 F CB 3.872 42.949 39.000 0.129 0.000 1.236 136 F HN 0.295 8.743 8.300 0.247 0.000 0.455 137 A N 6.914 129.632 122.820 -0.170 0.000 3.105 137 A HA 0.404 nan 4.320 nan 0.000 0.336 137 A C -2.194 175.270 177.584 -0.200 0.000 1.042 137 A CA -2.923 49.056 52.037 -0.097 0.000 0.851 137 A CB -0.065 18.936 19.000 0.002 0.000 1.068 137 A HN 0.381 8.303 8.150 -0.379 0.000 0.477 138 P HA 0.013 nan 4.420 nan 0.000 0.253 138 P C 0.025 177.253 177.300 -0.121 0.000 1.260 138 P CA 1.104 64.060 63.100 -0.241 0.000 0.800 138 P CB -0.018 31.589 31.700 -0.155 0.000 1.162 139 N N -0.715 117.894 118.700 -0.153 0.000 2.331 139 N HA -0.238 nan 4.740 nan 0.000 0.180 139 N C -0.985 174.498 175.510 -0.045 0.000 1.019 139 N CA 1.485 54.503 53.050 -0.053 0.000 0.881 139 N CB 0.915 39.388 38.487 -0.022 0.000 0.972 139 N HN 0.508 8.665 8.380 -0.222 0.090 0.435 140 H N -8.621 110.491 119.070 0.071 0.000 2.967 140 H HA 0.364 nan 4.556 nan 0.000 0.318 140 H C -0.929 174.522 175.328 0.206 0.000 1.375 140 H CA -0.920 55.179 56.048 0.084 0.000 1.132 140 H CB 2.115 31.904 29.762 0.046 0.000 1.848 140 H HN -0.768 7.290 8.280 -0.303 0.040 0.524 141 T N -4.854 109.946 114.554 0.410 0.000 3.538 141 T HA 0.186 nan 4.350 nan 0.000 0.204 141 T C -0.832 174.046 174.700 0.297 0.000 0.870 141 T CA -0.458 61.863 62.100 0.368 0.000 1.727 141 T CB 1.215 70.301 68.868 0.363 0.000 1.685 141 T HN 0.223 8.682 8.240 0.364 0.000 0.454 142 S N -0.156 115.582 115.700 0.065 0.000 2.627 142 S HA 0.455 nan 4.470 nan 0.000 0.283 142 S C -2.339 172.051 174.600 -0.350 0.000 1.127 142 S CA -2.404 55.715 58.200 -0.136 0.000 0.863 142 S CB 1.332 64.494 63.200 -0.064 0.000 1.121 142 S HN -0.384 7.940 8.310 0.022 0.000 0.479 143 P HA -0.179 nan 4.420 nan 0.000 0.260 143 P C -2.112 175.077 177.300 -0.185 0.000 1.172 143 P CA 1.224 64.113 63.100 -0.351 0.000 0.760 143 P CB -0.441 30.985 31.700 -0.456 0.000 0.773 144 A N 4.397 127.164 122.820 -0.088 0.000 2.587 144 A HA 0.498 nan 4.320 nan 0.000 0.293 144 A C -2.343 175.248 177.584 0.011 0.000 1.087 144 A CA -0.847 51.151 52.037 -0.066 0.000 0.692 144 A CB 3.948 22.680 19.000 -0.447 0.000 1.291 144 A HN 0.038 8.107 8.150 -0.134 0.000 0.407 145 S N -0.622 115.174 115.700 0.161 0.000 2.614 145 S HA 0.227 nan 4.470 nan 0.000 0.288 145 S C -0.466 174.262 174.600 0.213 0.000 1.137 145 S CA -1.779 56.486 58.200 0.110 0.000 0.992 145 S CB 1.406 64.577 63.200 -0.048 0.000 1.026 145 S HN -0.013 8.431 8.310 0.224 0.000 0.486 146 S N 4.695 120.548 115.700 0.254 0.000 2.436 146 S HA -0.106 nan 4.470 nan 0.000 0.228 146 S C 1.778 176.385 174.600 0.012 0.000 1.014 146 S CA 1.603 59.856 58.200 0.088 0.000 0.950 146 S CB 0.193 63.343 63.200 -0.082 0.000 0.784 146 S HN 0.445 8.941 8.310 0.310 0.000 0.504 147 D N 2.308 122.713 120.400 0.008 0.000 2.097 147 D HA -0.096 nan 4.640 nan 0.000 0.195 147 D C 0.028 176.322 176.300 -0.010 0.000 0.989 147 D CA 2.429 56.418 54.000 -0.019 0.000 0.827 147 D CB 0.140 40.920 40.800 -0.033 0.000 0.966 147 D HN -0.081 8.290 8.370 0.026 0.014 0.456 148 D N -1.744 118.659 120.400 0.006 0.000 2.485 148 D HA 0.400 nan 4.640 nan 0.000 0.229 148 D C -0.752 175.593 176.300 0.074 0.000 1.101 148 D CA -3.515 50.501 54.000 0.027 0.000 0.906 148 D CB 0.777 41.581 40.800 0.007 0.000 1.019 148 D HN -0.662 7.713 8.370 0.007 0.000 0.516 149 P HA -0.065 nan 4.420 nan 0.000 0.236 149 P C -0.164 177.168 177.300 0.053 0.000 1.172 149 P CA 0.979 64.109 63.100 0.049 0.000 0.759 149 P CB -0.045 31.667 31.700 0.019 0.000 0.843 150 S N -2.727 113.013 115.700 0.067 0.000 2.524 150 S HA -0.028 nan 4.470 nan 0.000 0.215 150 S C 0.086 174.724 174.600 0.064 0.000 0.986 150 S CA -0.542 57.688 58.200 0.049 0.000 0.911 150 S CB 0.474 63.698 63.200 0.039 0.000 0.805 150 S HN -0.612 7.912 8.310 0.073 -0.171 0.501 151 F N 4.781 124.702 119.950 -0.049 0.000 2.495 151 F HA -0.163 nan 4.527 nan 0.000 0.365 151 F C -0.600 175.149 175.800 -0.084 0.000 1.090 151 F CA 0.956 58.910 58.000 -0.077 0.000 1.235 151 F CB 1.034 39.981 39.000 -0.089 0.000 1.119 151 F HN -0.694 7.694 8.300 0.232 0.051 0.562 152 A N 8.015 130.321 122.820 -0.857 0.000 5.481 152 A HA -0.470 nan 4.320 nan 0.000 0.318 152 A C -0.739 176.673 177.584 -0.287 0.000 1.837 152 A CA 2.169 53.802 52.037 -0.673 0.000 0.717 152 A CB -0.875 17.543 19.000 -0.971 0.000 1.349 152 A HN 0.564 8.233 8.150 -0.802 0.000 0.388 153 E N 0.398 120.480 120.200 -0.196 0.000 2.569 153 E HA 0.127 nan 4.350 nan 0.000 0.205 153 E C -0.295 176.280 176.600 -0.042 0.000 1.006 153 E CA -1.527 54.840 56.400 -0.055 0.000 0.985 153 E CB 0.505 30.223 29.700 0.030 0.000 1.060 153 E HN 0.326 8.537 8.360 -0.248 0.000 0.460 154 N N 0.137 118.786 118.700 -0.084 0.000 2.735 154 N HA -0.420 nan 4.740 nan 0.000 0.248 154 N C -0.126 175.317 175.510 -0.110 0.000 1.083 154 N CA 0.968 53.990 53.050 -0.046 0.000 0.703 154 N CB -0.568 37.920 38.487 0.001 0.000 1.005 154 N HN 0.019 8.232 8.380 -0.141 0.082 0.550 155 G N -5.223 103.478 108.800 -0.166 0.000 2.180 155 G HA2 -0.615 nan 3.960 nan 0.000 0.263 155 G HA3 -0.615 nan 3.960 nan 0.000 0.263 155 G C -0.257 174.619 174.900 -0.040 0.000 0.989 155 G CA 0.485 45.457 45.100 -0.214 0.000 0.692 155 G HN -0.010 8.163 8.290 -0.161 0.020 0.526 156 R N -0.174 120.349 120.500 0.039 0.000 2.638 156 R HA -0.110 nan 4.340 nan 0.000 0.268 156 R C -1.378 175.060 176.300 0.230 0.000 1.006 156 R CA 1.209 57.379 56.100 0.116 0.000 1.088 156 R CB 0.461 30.816 30.300 0.091 0.000 0.950 156 R HN -0.454 7.783 8.270 0.018 0.044 0.419 157 L N 2.650 123.960 121.223 0.146 0.000 2.362 157 L HA 0.529 nan 4.340 nan 0.000 0.275 157 L C -2.404 174.457 176.870 -0.016 0.000 0.998 157 L CA -0.838 54.112 54.840 0.184 0.000 0.820 157 L CB 3.670 45.803 42.059 0.123 0.000 1.270 157 L HN 0.063 8.332 8.230 0.065 0.000 0.415 158 Y N 3.811 124.166 120.300 0.092 0.000 2.485 158 Y HA 0.514 nan 4.550 nan 0.000 0.345 158 Y C -1.872 174.109 175.900 0.134 0.000 0.998 158 Y CA -2.013 56.136 58.100 0.083 0.000 1.059 158 Y CB 4.015 42.547 38.460 0.120 0.000 1.234 158 Y HN 1.082 9.687 8.280 0.542 0.000 0.461 159 D N 2.098 122.663 120.400 0.275 0.000 2.473 159 D HA 0.140 nan 4.640 nan 0.000 0.226 159 D C -0.325 176.166 176.300 0.318 0.000 1.089 159 D CA -2.321 51.916 54.000 0.396 0.000 0.883 159 D CB 0.270 41.226 40.800 0.260 0.000 1.029 159 D HN 0.692 9.078 8.370 0.195 0.102 0.517 160 N N 7.593 126.484 118.700 0.318 0.000 2.714 160 N HA -0.466 nan 4.740 nan 0.000 0.252 160 N C -0.128 175.484 175.510 0.170 0.000 1.014 160 N CA 0.889 54.061 53.050 0.204 0.000 0.735 160 N CB -0.758 37.822 38.487 0.154 0.000 0.924 160 N HN 0.177 9.035 8.380 0.399 -0.238 0.540 161 G N -4.638 104.282 108.800 0.201 0.000 2.313 161 G HA2 -0.419 nan 3.960 nan 0.000 0.215 161 G HA3 -0.419 nan 3.960 nan 0.000 0.215 161 G C -1.190 173.889 174.900 0.299 0.000 1.023 161 G CA -0.131 45.074 45.100 0.176 0.000 0.626 161 G HN 0.150 8.828 8.290 0.253 -0.237 0.503 162 N N 2.937 121.794 118.700 0.262 0.000 2.408 162 N HA 0.095 nan 4.740 nan 0.000 0.257 162 N C -0.479 175.124 175.510 0.155 0.000 1.064 162 N CA -1.125 52.044 53.050 0.197 0.000 0.952 162 N CB 0.728 39.285 38.487 0.117 0.000 1.093 162 N HN -0.391 7.965 8.380 0.227 0.161 0.490 163 L N 5.897 127.138 121.223 0.030 0.000 2.525 163 L HA -0.148 nan 4.340 nan 0.000 0.278 163 L C -0.537 176.200 176.870 -0.221 0.000 1.218 163 L CA 1.636 56.245 54.840 -0.384 0.000 0.878 163 L CB 0.442 42.281 42.059 -0.367 0.000 1.127 163 L HN 0.415 8.715 8.230 0.116 0.000 0.492 164 L N 4.170 125.232 121.223 -0.269 0.000 2.435 164 L HA 0.386 nan 4.340 nan 0.000 0.195 164 L C -0.112 176.676 176.870 -0.137 0.000 1.072 164 L CA 0.321 55.054 54.840 -0.179 0.000 0.833 164 L CB 1.260 43.180 42.059 -0.232 0.000 1.081 164 L HN 0.937 8.933 8.230 -0.391 0.000 0.485 165 G N -4.799 103.934 108.800 -0.111 0.000 2.322 165 G HA2 0.023 nan 3.960 nan 0.000 0.295 165 G HA3 0.023 nan 3.960 nan 0.000 0.295 165 G C -2.763 172.207 174.900 0.116 0.000 1.369 165 G CA 0.229 45.327 45.100 -0.004 0.000 0.821 165 G HN -0.816 7.388 8.290 -0.143 0.000 0.536 166 G N -2.414 106.444 108.800 0.098 0.000 3.016 166 G HA2 0.595 nan 3.960 nan 0.000 0.270 166 G HA3 0.595 nan 3.960 nan 0.000 0.270 166 G C -1.579 173.285 174.900 -0.059 0.000 1.352 166 G CA -1.423 43.689 45.100 0.020 0.000 1.060 166 G HN -0.093 8.238 8.290 0.068 0.000 0.538 167 Y N -1.485 118.577 120.300 -0.395 0.000 2.269 167 Y HA 0.006 nan 4.550 nan 0.000 0.294 167 Y C 0.237 176.089 175.900 -0.080 0.000 1.120 167 Y CA 2.230 60.086 58.100 -0.406 0.000 1.159 167 Y CB 1.756 39.950 38.460 -0.445 0.000 1.024 167 Y HN 0.036 8.380 8.280 -0.088 -0.117 0.532 168 T N 1.996 116.526 114.554 -0.040 0.000 2.907 168 T HA -0.022 nan 4.350 nan 0.000 0.298 168 T C -0.710 173.935 174.700 -0.092 0.000 1.017 168 T CA 1.948 63.996 62.100 -0.086 0.000 1.118 168 T CB 0.106 68.958 68.868 -0.027 0.000 0.948 168 T HN -0.675 7.867 8.240 0.015 -0.293 0.531 169 N N 1.061 119.683 118.700 -0.129 0.000 2.738 169 N HA -0.358 nan 4.740 nan 0.000 0.249 169 N C -1.470 173.997 175.510 -0.072 0.000 1.047 169 N CA 0.935 53.924 53.050 -0.102 0.000 0.707 169 N CB -0.022 38.427 38.487 -0.063 0.000 0.937 169 N HN 0.337 8.616 8.380 -0.168 0.000 0.545 170 D N -1.551 118.790 120.400 -0.099 0.000 2.558 170 D HA 0.176 nan 4.640 nan 0.000 0.221 170 D C 1.223 177.498 176.300 -0.042 0.000 1.143 170 D CA -1.360 52.642 54.000 0.004 0.000 1.010 170 D CB -0.155 40.740 40.800 0.158 0.000 1.068 170 D HN 0.026 8.280 8.370 -0.193 0.000 0.511 171 T N 0.343 114.872 114.554 -0.042 0.000 2.995 171 T HA -0.076 nan 4.350 nan 0.000 0.269 171 T C 1.154 175.834 174.700 -0.033 0.000 1.091 171 T CA 2.061 64.131 62.100 -0.050 0.000 1.128 171 T CB -0.234 68.607 68.868 -0.045 0.000 0.891 171 T HN -0.017 8.163 8.240 -0.033 0.040 0.492 172 Q N -0.189 119.601 119.800 -0.017 0.000 2.425 172 Q HA 0.070 nan 4.340 nan 0.000 0.204 172 Q C -0.317 175.670 176.000 -0.021 0.000 0.933 172 Q CA -0.426 55.364 55.803 -0.023 0.000 0.939 172 Q CB 0.576 29.293 28.738 -0.035 0.000 1.044 172 Q HN -0.172 8.075 8.270 -0.008 0.019 0.513 173 N N -1.517 117.188 118.700 0.009 0.000 2.714 173 N HA -0.260 nan 4.740 nan 0.000 0.253 173 N C 0.143 175.624 175.510 -0.048 0.000 1.024 173 N CA 0.983 54.052 53.050 0.031 0.000 0.726 173 N CB -0.645 37.849 38.487 0.012 0.000 0.908 173 N HN -0.565 7.652 8.380 0.016 0.173 0.542 174 L N -5.373 115.787 121.223 -0.105 0.000 2.291 174 L HA -0.132 nan 4.340 nan 0.000 0.214 174 L C -0.375 176.068 176.870 -0.713 0.000 1.120 174 L CA 1.676 56.251 54.840 -0.442 0.000 0.799 174 L CB 0.717 42.406 42.059 -0.617 0.000 0.925 174 L HN -0.217 8.399 8.230 0.013 -0.378 0.446 175 F N -4.644 115.229 119.950 -0.129 0.000 2.593 175 F HA 0.395 nan 4.527 nan 0.000 0.320 175 F C -0.911 174.737 175.800 -0.253 0.000 1.060 175 F CA -2.033 55.833 58.000 -0.223 0.000 0.940 175 F CB 3.381 42.321 39.000 -0.100 0.000 1.268 175 F HN -0.715 7.789 8.300 0.083 -0.154 0.475 176 H N 0.072 119.108 119.070 -0.056 0.000 2.652 176 H HA -0.033 nan 4.556 nan 0.000 0.349 176 H C -0.839 174.219 175.328 -0.450 0.000 1.099 176 H CA -0.622 55.334 56.048 -0.153 0.000 1.417 176 H CB 1.391 31.223 29.762 0.116 0.000 1.457 176 H HN 0.282 8.514 8.280 -0.080 0.000 0.568 177 H N 1.966 120.786 119.070 -0.416 0.000 2.439 177 H HA 0.221 nan 4.556 nan 0.000 0.230 177 H C -0.837 174.178 175.328 -0.521 0.000 1.420 177 H CA -0.261 55.555 56.048 -0.386 0.000 1.305 177 H CB -0.094 29.409 29.762 -0.431 0.000 1.667 177 H HN 0.459 8.261 8.280 -0.797 0.000 0.515 178 Y N -0.550 119.796 120.300 0.076 0.000 2.467 178 Y HA 0.107 nan 4.550 nan 0.000 0.250 178 Y C -0.365 175.529 175.900 -0.010 0.000 1.155 178 Y CA -0.573 57.524 58.100 -0.004 0.000 1.249 178 Y CB 0.490 38.916 38.460 -0.057 0.000 1.146 178 Y HN 0.171 8.462 8.280 0.018 0.000 0.524 179 G N -2.388 106.479 108.800 0.112 0.000 2.526 179 G HA2 -0.250 nan 3.960 nan 0.000 0.250 179 G HA3 -0.250 nan 3.960 nan 0.000 0.250 179 G C -2.110 172.800 174.900 0.016 0.000 1.289 179 G CA -0.838 44.295 45.100 0.054 0.000 0.947 179 G HN -0.559 7.804 8.290 0.122 0.000 0.517 180 G N -2.760 106.013 108.800 -0.044 0.000 2.410 180 G HA2 0.580 nan 3.960 nan 0.000 0.330 180 G HA3 0.580 nan 3.960 nan 0.000 0.330 180 G C -1.650 173.136 174.900 -0.191 0.000 1.142 180 G CA -1.479 43.548 45.100 -0.123 0.000 0.902 180 G HN -0.134 8.134 8.290 -0.038 0.000 0.491 181 T N 1.060 115.409 114.554 -0.342 0.000 2.926 181 T HA -0.078 nan 4.350 nan 0.000 0.307 181 T C 0.767 175.175 174.700 -0.488 0.000 1.059 181 T CA 0.490 62.309 62.100 -0.469 0.000 1.122 181 T CB 0.519 68.939 68.868 -0.748 0.000 0.972 181 T HN 0.167 8.173 8.240 -0.391 0.000 0.545 182 D N 5.154 125.362 120.400 -0.320 0.000 2.395 182 D HA 0.104 nan 4.640 nan 0.000 0.213 182 D C 0.645 176.952 176.300 0.013 0.000 1.110 182 D CA -1.316 52.609 54.000 -0.124 0.000 0.835 182 D CB 0.012 40.783 40.800 -0.047 0.000 0.965 182 D HN -0.128 8.310 8.370 -0.261 -0.224 0.505 183 F N -3.472 116.423 119.950 -0.092 0.000 3.069 183 F HA -0.453 nan 4.527 nan 0.000 0.285 183 F C 0.068 175.828 175.800 -0.066 0.000 0.827 183 F CA 1.347 59.291 58.000 -0.095 0.000 1.108 183 F CB -2.534 36.410 39.000 -0.093 0.000 1.252 183 F HN 0.086 7.948 8.300 -0.596 0.080 0.483 184 S N -2.182 113.550 115.700 0.053 0.000 2.406 184 S HA -0.161 nan 4.470 nan 0.000 0.228 184 S C 0.381 174.997 174.600 0.027 0.000 1.020 184 S CA 1.367 59.591 58.200 0.039 0.000 0.965 184 S CB 1.155 64.359 63.200 0.006 0.000 0.798 184 S HN -0.276 8.282 8.310 -0.010 -0.254 0.488 185 T N 1.193 115.744 114.554 -0.005 0.000 2.896 185 T HA 0.285 nan 4.350 nan 0.000 0.297 185 T C -0.612 174.065 174.700 -0.038 0.000 1.108 185 T CA -0.822 61.270 62.100 -0.012 0.000 1.004 185 T CB 3.228 72.063 68.868 -0.054 0.000 1.159 185 T HN -0.510 7.673 8.240 -0.027 0.041 0.499 186 I N 3.812 124.384 120.570 0.003 0.000 2.179 186 I HA -0.515 nan 4.170 nan 0.000 0.242 186 I C 1.410 177.404 176.117 -0.205 0.000 1.088 186 I CA 3.961 65.250 61.300 -0.017 0.000 1.357 186 I CB 0.116 38.224 38.000 0.181 0.000 1.051 186 I HN 0.464 8.713 8.210 0.065 0.000 0.409 187 E N 0.386 120.362 120.200 -0.373 0.000 2.070 187 E HA -0.464 nan 4.350 nan 0.000 0.197 187 E C 2.051 178.482 176.600 -0.281 0.000 1.004 187 E CA 3.664 59.678 56.400 -0.643 0.000 0.805 187 E CB -0.677 28.529 29.700 -0.823 0.000 0.744 187 E HN 0.052 8.248 8.360 -0.274 0.000 0.451 188 N N -1.332 117.240 118.700 -0.214 0.000 2.149 188 N HA -0.241 nan 4.740 nan 0.000 0.188 188 N C 2.398 177.784 175.510 -0.206 0.000 1.019 188 N CA 2.775 55.723 53.050 -0.170 0.000 0.857 188 N CB -0.341 38.059 38.487 -0.145 0.000 0.997 188 N HN 0.122 8.309 8.380 -0.203 0.071 0.426 189 G N -1.567 107.097 108.800 -0.226 0.000 2.511 189 G HA2 -0.050 nan 3.960 nan 0.000 0.217 189 G HA3 -0.050 nan 3.960 nan 0.000 0.217 189 G C 0.813 175.552 174.900 -0.269 0.000 1.133 189 G CA 1.035 45.975 45.100 -0.267 0.000 0.792 189 G HN -0.214 7.858 8.290 -0.195 0.101 0.539 190 I N 0.149 120.518 120.570 -0.334 0.000 2.277 190 I HA -0.279 nan 4.170 nan 0.000 0.243 190 I C 0.695 176.514 176.117 -0.497 0.000 1.094 190 I CA 2.919 63.919 61.300 -0.499 0.000 1.393 190 I CB 0.514 38.013 38.000 -0.835 0.000 1.078 190 I HN -0.658 7.217 8.210 -0.329 0.138 0.417 191 Y N -4.595 115.619 120.300 -0.144 0.000 2.509 191 Y HA -0.054 nan 4.550 nan 0.000 0.270 191 Y C 0.414 176.295 175.900 -0.031 0.000 1.103 191 Y CA 1.252 59.234 58.100 -0.196 0.000 1.278 191 Y CB 0.834 39.029 38.460 -0.442 0.000 1.087 191 Y HN -0.711 7.437 8.280 -0.220 0.000 0.542 192 K N -0.865 119.560 120.400 0.041 0.000 2.098 192 K HA 0.039 nan 4.320 nan 0.000 0.244 192 K C -0.354 176.228 176.600 -0.029 0.000 1.014 192 K CA -0.830 55.480 56.287 0.039 0.000 0.917 192 K CB 0.976 33.432 32.500 -0.072 0.000 1.072 192 K HN -0.737 7.481 8.250 -0.054 0.000 0.477 193 N N -0.258 118.411 118.700 -0.050 0.000 2.518 193 N HA -0.001 nan 4.740 nan 0.000 0.266 193 N C -0.597 174.742 175.510 -0.285 0.000 1.196 193 N CA 0.073 53.051 53.050 -0.120 0.000 0.947 193 N CB 0.557 38.978 38.487 -0.110 0.000 1.098 193 N HN 0.345 8.611 8.380 -0.015 0.104 0.450 194 L N 4.879 125.902 121.223 -0.333 0.000 2.342 194 L HA -0.044 nan 4.340 nan 0.000 0.285 194 L C 0.101 176.632 176.870 -0.564 0.000 1.095 194 L CA 0.979 55.441 54.840 -0.630 0.000 0.843 194 L CB -0.797 40.945 42.059 -0.529 0.000 1.201 194 L HN 0.369 8.463 8.230 -0.226 0.000 0.445 195 Y N 2.296 122.516 120.300 -0.133 0.000 2.780 195 Y HA -0.601 nan 4.550 nan 0.000 0.474 195 Y C -0.453 175.376 175.900 -0.118 0.000 1.117 195 Y CA 2.585 60.627 58.100 -0.096 0.000 2.819 195 Y CB -1.638 36.775 38.460 -0.077 0.000 1.131 195 Y HN 0.416 8.296 8.280 -0.666 0.000 0.611 196 D N -3.782 116.646 120.400 0.046 0.000 2.562 196 D HA 0.042 nan 4.640 nan 0.000 0.246 196 D C -0.885 175.312 176.300 -0.172 0.000 1.347 196 D CA -0.944 53.022 54.000 -0.058 0.000 0.800 196 D CB 1.748 42.558 40.800 0.017 0.000 1.111 196 D HN -0.262 8.182 8.370 0.123 0.000 0.508 197 L N 1.135 122.241 121.223 -0.195 0.000 2.410 197 L HA 0.074 nan 4.340 nan 0.000 0.273 197 L C -0.341 176.350 176.870 -0.297 0.000 1.152 197 L CA -0.703 53.961 54.840 -0.294 0.000 0.855 197 L CB -0.586 41.222 42.059 -0.418 0.000 1.129 197 L HN -0.224 7.922 8.230 -0.139 0.000 0.463 198 A N 6.187 128.787 122.820 -0.367 0.000 2.444 198 A HA -0.133 nan 4.320 nan 0.000 0.287 198 A C -0.966 176.613 177.584 -0.009 0.000 1.195 198 A CA -0.533 51.207 52.037 -0.495 0.000 0.858 198 A CB 0.093 18.651 19.000 -0.736 0.000 1.117 198 A HN 0.262 8.201 8.150 -0.352 0.000 0.521 199 D N 6.179 126.579 120.400 0.001 0.000 2.412 199 D HA -0.056 nan 4.640 nan 0.000 0.257 199 D C -0.686 175.550 176.300 -0.107 0.000 1.217 199 D CA 0.671 54.674 54.000 0.006 0.000 0.897 199 D CB 0.528 41.341 40.800 0.022 0.000 1.132 199 D HN -0.394 8.107 8.370 -0.086 -0.183 0.493 200 L N 3.727 124.781 121.223 -0.281 0.000 2.461 200 L HA -0.021 nan 4.340 nan 0.000 0.272 200 L C -0.242 176.000 176.870 -1.047 0.000 1.197 200 L CA 0.366 54.813 54.840 -0.656 0.000 0.836 200 L CB 0.539 42.171 42.059 -0.713 0.000 1.105 200 L HN -0.222 7.914 8.230 -0.157 0.000 0.477 201 N N 1.254 119.410 118.700 -0.907 0.000 2.589 201 N HA 0.176 nan 4.740 nan 0.000 0.232 201 N C 0.097 175.265 175.510 -0.569 0.000 1.015 201 N CA -1.602 51.057 53.050 -0.652 0.000 0.931 201 N CB 0.335 38.659 38.487 -0.273 0.000 1.150 201 N HN 0.281 8.177 8.380 -0.807 0.000 0.512 202 H N 5.606 124.442 119.070 -0.391 0.000 2.524 202 H HA -0.198 nan 4.556 nan 0.000 0.282 202 H C 1.183 176.373 175.328 -0.229 0.000 1.016 202 H CA 2.917 58.613 56.048 -0.587 0.000 1.270 202 H CB 0.071 29.102 29.762 -1.220 0.000 1.394 202 H HN 0.380 8.367 8.280 -0.487 0.000 0.568 203 N N -1.581 117.143 118.700 0.039 0.000 2.494 203 N HA -0.198 nan 4.740 nan 0.000 0.182 203 N C -0.980 174.565 175.510 0.059 0.000 1.076 203 N CA 0.774 53.894 53.050 0.117 0.000 0.908 203 N CB 0.477 39.068 38.487 0.173 0.000 0.967 203 N HN -0.520 8.025 8.380 0.058 -0.129 0.449 204 N N 0.056 118.744 118.700 -0.020 0.000 2.430 204 N HA -0.026 nan 4.740 nan 0.000 0.265 204 N C 0.683 176.195 175.510 0.003 0.000 1.100 204 N CA 0.129 53.163 53.050 -0.027 0.000 0.961 204 N CB 0.812 39.239 38.487 -0.100 0.000 1.075 204 N HN -0.477 7.685 8.380 -0.091 0.164 0.478 205 S N 7.246 122.970 115.700 0.041 0.000 2.420 205 S HA -0.383 nan 4.470 nan 0.000 0.237 205 S C 1.968 176.606 174.600 0.063 0.000 1.023 205 S CA 3.287 61.530 58.200 0.071 0.000 0.991 205 S CB -0.207 63.034 63.200 0.069 0.000 0.792 205 S HN 0.768 9.104 8.310 0.043 0.000 0.488 206 S N 1.744 117.455 115.700 0.018 0.000 2.371 206 S HA -0.131 nan 4.470 nan 0.000 0.224 206 S C 1.584 176.199 174.600 0.025 0.000 1.029 206 S CA 3.827 62.036 58.200 0.016 0.000 0.978 206 S CB 0.003 63.180 63.200 -0.039 0.000 0.833 206 S HN 0.160 8.744 8.310 -0.007 -0.278 0.466 207 V N 2.974 122.856 119.914 -0.052 0.000 2.307 207 V HA -0.407 nan 4.120 nan 0.000 0.245 207 V C 1.315 177.456 176.094 0.078 0.000 1.045 207 V CA 4.351 66.602 62.300 -0.081 0.000 1.024 207 V CB -0.593 31.056 31.823 -0.290 0.000 0.651 207 V HN -0.717 7.610 8.190 -0.085 -0.188 0.449 208 D N -0.958 119.516 120.400 0.122 0.000 2.108 208 D HA -0.352 nan 4.640 nan 0.000 0.190 208 D C 1.830 178.331 176.300 0.334 0.000 0.995 208 D CA 4.104 58.306 54.000 0.338 0.000 0.834 208 D CB 0.227 41.229 40.800 0.336 0.000 0.967 208 D HN -0.070 8.334 8.370 0.056 0.000 0.446 209 V N -2.881 117.170 119.914 0.228 0.000 2.548 209 V HA -0.201 nan 4.120 nan 0.000 0.249 209 V C 1.274 177.488 176.094 0.200 0.000 1.055 209 V CA 3.121 65.534 62.300 0.189 0.000 1.065 209 V CB -0.996 30.905 31.823 0.130 0.000 0.681 209 V HN -0.412 7.890 8.190 0.185 0.000 0.462 210 Y N 2.575 122.925 120.300 0.084 0.000 2.145 210 Y HA -0.430 nan 4.550 nan 0.000 0.286 210 Y C 1.240 177.209 175.900 0.116 0.000 1.145 210 Y CA 3.864 62.011 58.100 0.078 0.000 1.148 210 Y CB 0.082 38.564 38.460 0.038 0.000 0.981 210 Y HN -0.272 8.191 8.280 0.305 0.000 0.507 211 L N -1.958 119.361 121.223 0.160 0.000 2.131 211 L HA -0.369 nan 4.340 nan 0.000 0.210 211 L C 2.172 179.217 176.870 0.292 0.000 1.092 211 L CA 2.613 57.539 54.840 0.143 0.000 0.759 211 L CB -0.796 41.432 42.059 0.281 0.000 0.903 211 L HN 0.124 8.537 8.230 0.304 0.000 0.435 212 K N -0.973 119.596 120.400 0.282 0.000 2.228 212 K HA -0.263 nan 4.320 nan 0.000 0.202 212 K C 2.517 179.137 176.600 0.034 0.000 1.051 212 K CA 3.499 59.906 56.287 0.201 0.000 0.960 212 K CB -0.367 32.233 32.500 0.166 0.000 0.743 212 K HN -0.446 7.883 8.250 0.290 0.095 0.458 213 D N 0.223 120.626 120.400 0.004 0.000 2.149 213 D HA -0.148 nan 4.640 nan 0.000 0.201 213 D C 1.981 178.234 176.300 -0.078 0.000 0.972 213 D CA 2.991 56.955 54.000 -0.061 0.000 0.835 213 D CB -0.325 40.453 40.800 -0.037 0.000 0.966 213 D HN 0.063 8.263 8.370 0.041 0.194 0.476 214 A N 0.202 122.977 122.820 -0.074 0.000 1.873 214 A HA -0.201 nan 4.320 nan 0.000 0.215 214 A C 2.073 179.762 177.584 0.175 0.000 1.186 214 A CA 3.129 55.184 52.037 0.031 0.000 0.616 214 A CB -0.448 18.607 19.000 0.092 0.000 0.823 214 A HN 0.062 8.141 8.150 -0.119 0.000 0.442 215 I N -2.119 118.516 120.570 0.108 0.000 2.361 215 I HA -0.421 nan 4.170 nan 0.000 0.251 215 I C 1.355 177.467 176.117 -0.009 0.000 1.133 215 I CA 1.438 62.693 61.300 -0.075 0.000 1.413 215 I CB -0.126 37.714 38.000 -0.266 0.000 1.073 215 I HN -0.417 7.883 8.210 0.150 0.000 0.424 216 K N -0.818 119.551 120.400 -0.051 0.000 2.097 216 K HA -0.385 nan 4.320 nan 0.000 0.205 216 K C 2.416 179.033 176.600 0.029 0.000 1.050 216 K CA 3.506 59.770 56.287 -0.039 0.000 0.938 216 K CB -0.365 31.955 32.500 -0.300 0.000 0.718 216 K HN -0.734 7.470 8.250 -0.076 0.000 0.442 217 M N 0.358 119.913 119.600 -0.075 0.000 2.108 217 M HA -0.416 nan 4.480 nan 0.000 0.261 217 M C 1.872 178.034 176.300 -0.232 0.000 1.066 217 M CA 4.001 59.187 55.300 -0.190 0.000 1.107 217 M CB 0.001 32.393 32.600 -0.346 0.000 1.356 217 M HN -0.362 7.803 8.290 -0.089 0.071 0.406 218 W N -2.779 118.528 121.300 0.011 0.000 2.436 218 W HA -0.326 nan 4.660 nan 0.000 0.284 218 W C 2.212 178.775 176.519 0.073 0.000 1.225 218 W CA 2.866 60.223 57.345 0.019 0.000 1.271 218 W CB -0.072 29.369 29.460 -0.031 0.000 1.114 218 W HN -0.475 7.703 8.180 -0.004 0.000 0.559 219 L N -1.990 119.369 121.223 0.228 0.000 2.093 219 L HA -0.441 nan 4.340 nan 0.000 0.208 219 L C 2.594 179.554 176.870 0.151 0.000 1.085 219 L CA 2.975 57.925 54.840 0.182 0.000 0.755 219 L CB -0.669 41.498 42.059 0.179 0.000 0.904 219 L HN -0.101 8.246 8.230 0.195 0.000 0.435 220 D N -0.113 120.374 120.400 0.144 0.000 2.219 220 D HA -0.192 nan 4.640 nan 0.000 0.205 220 D C 1.687 178.035 176.300 0.079 0.000 0.970 220 D CA 2.698 56.756 54.000 0.098 0.000 0.851 220 D CB -0.245 40.604 40.800 0.082 0.000 0.943 220 D HN 0.220 8.600 8.370 0.151 0.080 0.488 221 L N -2.529 118.755 121.223 0.101 0.000 2.627 221 L HA -0.024 nan 4.340 nan 0.000 0.233 221 L C 0.700 177.685 176.870 0.191 0.000 1.144 221 L CA -0.487 54.441 54.840 0.146 0.000 0.892 221 L CB -0.114 42.057 42.059 0.186 0.000 1.039 221 L HN -0.545 7.624 8.230 0.095 0.118 0.442 222 G N -2.882 106.022 108.800 0.173 0.000 2.157 222 G HA2 -0.384 nan 3.960 nan 0.000 0.239 222 G HA3 -0.384 nan 3.960 nan 0.000 0.239 222 G C -1.017 174.011 174.900 0.212 0.000 0.982 222 G CA -0.104 45.096 45.100 0.168 0.000 0.650 222 G HN -0.397 7.803 8.290 0.158 0.185 0.527 223 V N -4.066 116.010 119.914 0.269 0.000 3.139 223 V HA 0.104 nan 4.120 nan 0.000 0.307 223 V C -0.242 175.998 176.094 0.243 0.000 1.095 223 V CA -0.320 62.140 62.300 0.266 0.000 1.160 223 V CB -0.144 31.869 31.823 0.317 0.000 1.003 223 V HN -0.840 7.537 8.190 0.313 0.000 0.489 224 D N 0.207 120.774 120.400 0.280 0.000 2.449 224 D HA 0.265 nan 4.640 nan 0.000 0.210 224 D C -0.537 175.979 176.300 0.360 0.000 1.094 224 D CA 1.188 55.385 54.000 0.329 0.000 0.846 224 D CB 2.542 43.575 40.800 0.388 0.000 1.003 224 D HN 0.558 9.098 8.370 0.284 0.000 0.504 225 G N -2.872 106.073 108.800 0.242 0.000 2.677 225 G HA2 0.621 nan 3.960 nan 0.000 0.291 225 G HA3 0.621 nan 3.960 nan 0.000 0.291 225 G C -3.140 171.765 174.900 0.008 0.000 1.435 225 G CA 0.126 45.276 45.100 0.083 0.000 0.826 225 G HN -0.781 7.644 8.290 0.225 0.000 0.491 226 I N -0.950 119.539 120.570 -0.134 0.000 2.571 226 I HA 0.467 nan 4.170 nan 0.000 0.289 226 I C -2.469 173.332 176.117 -0.527 0.000 1.115 226 I CA -0.542 60.637 61.300 -0.202 0.000 1.045 226 I CB 4.668 42.587 38.000 -0.134 0.000 1.238 226 I HN 0.296 8.400 8.210 -0.176 0.000 0.424 227 R N 7.450 127.564 120.500 -0.645 0.000 2.265 227 R HA 0.700 nan 4.340 nan 0.000 0.328 227 R C -2.616 173.466 176.300 -0.363 0.000 0.969 227 R CA -2.001 53.439 56.100 -1.100 0.000 0.832 227 R CB 1.725 31.284 30.300 -1.235 0.000 1.139 227 R HN 0.467 8.525 8.270 -0.353 0.000 0.457 228 V N 6.595 126.374 119.914 -0.225 0.000 2.427 228 V HA 0.601 nan 4.120 nan 0.000 0.286 228 V C -2.263 173.866 176.094 0.059 0.000 1.034 228 V CA -3.192 59.139 62.300 0.053 0.000 0.893 228 V CB 2.992 34.939 31.823 0.206 0.000 0.982 228 V HN 0.648 8.628 8.190 -0.350 0.000 0.452 229 D N 8.697 129.166 120.400 0.116 0.000 2.341 229 D HA 0.064 nan 4.640 nan 0.000 0.245 229 D C -0.227 176.115 176.300 0.069 0.000 1.106 229 D CA -0.099 53.974 54.000 0.122 0.000 0.905 229 D CB 1.923 42.819 40.800 0.161 0.000 1.202 229 D HN 0.461 8.917 8.370 0.143 0.000 0.426 230 A N 2.155 125.011 122.820 0.058 0.000 2.415 230 A HA -0.318 nan 4.320 nan 0.000 0.292 230 A C 0.904 178.464 177.584 -0.040 0.000 1.452 230 A CA 0.953 52.993 52.037 0.004 0.000 0.750 230 A CB -1.358 17.655 19.000 0.023 0.000 1.099 230 A HN 0.300 8.504 8.150 0.091 0.000 0.391 231 V N 0.187 120.066 119.914 -0.060 0.000 2.594 231 V HA -0.404 nan 4.120 nan 0.000 0.253 231 V C 1.496 177.457 176.094 -0.221 0.000 1.069 231 V CA 3.625 65.855 62.300 -0.116 0.000 1.082 231 V CB -0.349 31.372 31.823 -0.170 0.000 0.680 231 V HN -0.164 8.010 8.190 -0.027 0.000 0.469 232 K N -1.976 118.158 120.400 -0.444 0.000 2.283 232 K HA -0.271 nan 4.320 nan 0.000 0.202 232 K C 0.520 176.965 176.600 -0.260 0.000 1.048 232 K CA 2.296 58.140 56.287 -0.738 0.000 0.948 232 K CB 0.009 31.846 32.500 -1.105 0.000 0.742 232 K HN -0.103 7.884 8.250 -0.386 0.031 0.458 233 N N -3.443 115.158 118.700 -0.166 0.000 2.275 233 N HA 0.137 nan 4.740 nan 0.000 0.236 233 N C -1.087 174.350 175.510 -0.121 0.000 1.154 233 N CA 0.096 53.053 53.050 -0.154 0.000 0.866 233 N CB 0.954 39.362 38.487 -0.131 0.000 1.093 233 N HN -0.425 7.679 8.380 -0.139 0.192 0.515 234 M N -0.634 118.936 119.600 -0.050 0.000 2.644 234 M HA 0.341 nan 4.480 nan 0.000 0.304 234 M C -3.110 173.162 176.300 -0.046 0.000 1.215 234 M CA -2.665 52.605 55.300 -0.050 0.000 0.871 234 M CB 3.026 35.633 32.600 0.012 0.000 1.740 234 M HN -0.949 7.308 8.290 0.051 0.063 0.464 235 P HA 0.084 nan 4.420 nan 0.000 0.271 235 P C -0.073 177.374 177.300 0.245 0.000 1.226 235 P CA -0.198 62.866 63.100 -0.060 0.000 0.765 235 P CB 0.195 31.947 31.700 0.086 0.000 0.835 236 F N 4.609 124.685 119.950 0.209 0.000 2.216 236 F HA -0.261 nan 4.527 nan 0.000 0.300 236 F C 2.135 178.042 175.800 0.177 0.000 1.085 236 F CA 2.335 60.514 58.000 0.297 0.000 1.326 236 F CB -0.971 38.241 39.000 0.353 0.000 1.027 236 F HN 0.495 8.516 8.300 -0.465 0.000 0.497 237 G N -1.923 107.033 108.800 0.259 0.000 2.422 237 G HA2 -0.376 nan 3.960 nan 0.000 0.218 237 G HA3 -0.376 nan 3.960 nan 0.000 0.218 237 G C 0.545 175.571 174.900 0.210 0.000 1.140 237 G CA 1.492 46.710 45.100 0.196 0.000 0.775 237 G HN 0.181 8.536 8.290 0.126 0.010 0.545 238 W N 2.202 123.568 121.300 0.110 0.000 2.443 238 W HA -0.219 nan 4.660 nan 0.000 0.296 238 W C 1.285 177.875 176.519 0.117 0.000 1.202 238 W CA 3.412 60.811 57.345 0.090 0.000 1.312 238 W CB 0.381 29.848 29.460 0.011 0.000 1.120 238 W HN -0.486 7.785 8.180 0.372 0.133 0.536 239 Q N -1.213 118.689 119.800 0.170 0.000 2.112 239 Q HA -0.592 nan 4.340 nan 0.000 0.206 239 Q C 2.193 178.193 176.000 -0.001 0.000 0.987 239 Q CA 3.760 59.615 55.803 0.087 0.000 0.858 239 Q CB -0.398 28.569 28.738 0.381 0.000 0.905 239 Q HN 0.291 8.802 8.270 0.401 0.000 0.420 240 K N -0.901 119.504 120.400 0.009 0.000 2.148 240 K HA -0.327 nan 4.320 nan 0.000 0.204 240 K C 2.179 178.722 176.600 -0.095 0.000 1.050 240 K CA 3.619 59.877 56.287 -0.048 0.000 0.942 240 K CB -0.166 32.325 32.500 -0.015 0.000 0.724 240 K HN 0.095 8.399 8.250 0.089 0.000 0.446 241 S N -0.061 115.555 115.700 -0.139 0.000 2.406 241 S HA -0.222 nan 4.470 nan 0.000 0.228 241 S C 1.816 176.277 174.600 -0.233 0.000 1.020 241 S CA 3.032 61.136 58.200 -0.160 0.000 0.965 241 S CB -0.784 62.336 63.200 -0.132 0.000 0.798 241 S HN -0.655 7.576 8.310 -0.132 0.000 0.488 242 F N 5.427 125.015 119.950 -0.603 0.000 2.084 242 F HA -0.216 nan 4.527 nan 0.000 0.296 242 F C 1.122 176.737 175.800 -0.307 0.000 1.111 242 F CA 3.543 61.186 58.000 -0.595 0.000 1.224 242 F CB 0.163 38.583 39.000 -0.967 0.000 0.991 242 F HN 0.015 8.026 8.300 -0.482 0.000 0.471 243 M N -1.819 117.644 119.600 -0.227 0.000 2.149 243 M HA -0.459 nan 4.480 nan 0.000 0.261 243 M C 2.367 178.538 176.300 -0.214 0.000 1.064 243 M CA 1.264 56.418 55.300 -0.243 0.000 1.102 243 M CB -1.617 30.906 32.600 -0.129 0.000 1.369 243 M HN 0.423 8.560 8.290 -0.077 0.107 0.408 244 A N -1.853 120.867 122.820 -0.166 0.000 2.015 244 A HA -0.251 nan 4.320 nan 0.000 0.219 244 A C 2.139 179.649 177.584 -0.123 0.000 1.163 244 A CA 3.310 55.275 52.037 -0.120 0.000 0.646 244 A CB -0.924 18.024 19.000 -0.086 0.000 0.806 244 A HN 0.257 8.316 8.150 -0.152 0.000 0.448 245 T N 1.808 116.254 114.554 -0.180 0.000 2.777 245 T HA -0.273 nan 4.350 nan 0.000 0.266 245 T C 1.905 176.510 174.700 -0.158 0.000 1.040 245 T CA 4.806 66.805 62.100 -0.169 0.000 1.141 245 T CB -0.347 68.394 68.868 -0.211 0.000 0.868 245 T HN -0.487 7.502 8.240 -0.224 0.116 0.444 246 I N -0.689 119.725 120.570 -0.261 0.000 2.333 246 I HA -0.377 nan 4.170 nan 0.000 0.246 246 I C 0.946 177.026 176.117 -0.061 0.000 1.106 246 I CA 3.381 64.583 61.300 -0.164 0.000 1.411 246 I CB -0.320 37.505 38.000 -0.293 0.000 1.082 246 I HN -0.453 7.521 8.210 -0.393 0.000 0.420 247 N N 1.513 120.163 118.700 -0.085 0.000 2.223 247 N HA -0.324 nan 4.740 nan 0.000 0.185 247 N C 1.624 177.134 175.510 0.000 0.000 1.016 247 N CA 2.748 55.776 53.050 -0.036 0.000 0.863 247 N CB -0.085 38.372 38.487 -0.049 0.000 0.983 247 N HN 0.246 8.544 8.380 -0.136 0.000 0.429 248 N N -2.947 115.758 118.700 0.009 0.000 2.412 248 N HA -0.031 nan 4.740 nan 0.000 0.184 248 N C -1.090 174.480 175.510 0.100 0.000 1.101 248 N CA 0.941 54.013 53.050 0.037 0.000 0.881 248 N CB 0.342 38.843 38.487 0.023 0.000 0.969 248 N HN -0.187 8.080 8.380 -0.017 0.103 0.459 249 Y N -0.231 120.035 120.300 -0.057 0.000 2.259 249 Y HA -0.046 nan 4.550 nan 0.000 0.285 249 Y C -0.660 175.220 175.900 -0.033 0.000 1.130 249 Y CA 1.055 59.127 58.100 -0.047 0.000 1.144 249 Y CB 2.707 41.127 38.460 -0.066 0.000 1.093 249 Y HN -0.579 7.605 8.280 0.135 0.177 0.507 250 K N -1.813 118.517 120.400 -0.118 0.000 2.803 250 K HA 0.350 nan 4.320 nan 0.000 0.229 250 K C -2.891 173.679 176.600 -0.051 0.000 1.084 250 K CA -2.916 53.255 56.287 -0.194 0.000 1.063 250 K CB 2.020 34.336 32.500 -0.308 0.000 1.254 250 K HN -0.243 8.052 8.250 0.075 0.000 0.551 251 P HA 0.011 nan 4.420 nan 0.000 0.271 251 P C -1.233 176.090 177.300 0.039 0.000 1.226 251 P CA -0.305 62.799 63.100 0.006 0.000 0.765 251 P CB 0.431 32.145 31.700 0.023 0.000 0.835 252 V N -4.177 115.766 119.914 0.048 0.000 2.962 252 V HA 0.610 nan 4.120 nan 0.000 0.313 252 V C -0.576 175.584 176.094 0.109 0.000 1.099 252 V CA -3.234 59.134 62.300 0.113 0.000 0.971 252 V CB 3.382 35.268 31.823 0.104 0.000 1.028 252 V HN -0.092 8.102 8.190 0.007 0.000 0.430 253 F N 5.034 124.967 119.950 -0.028 0.000 2.569 253 F HA -0.074 nan 4.527 nan 0.000 0.395 253 F C -1.452 174.278 175.800 -0.117 0.000 1.028 253 F CA 1.572 59.485 58.000 -0.144 0.000 1.158 253 F CB 0.841 39.534 39.000 -0.512 0.000 1.023 253 F HN 0.363 8.863 8.300 0.334 0.000 0.547 254 T N 8.727 123.034 114.554 -0.413 0.000 2.824 254 T HA 0.806 nan 4.350 nan 0.000 0.282 254 T C -1.437 173.015 174.700 -0.413 0.000 0.993 254 T CA -0.679 61.209 62.100 -0.354 0.000 0.967 254 T CB 1.769 70.521 68.868 -0.192 0.000 0.960 254 T HN -0.019 7.985 8.240 -0.394 0.000 0.441 255 F N 0.827 120.433 119.950 -0.572 0.000 2.613 255 F HA 0.956 nan 4.527 nan 0.000 0.314 255 F C -2.388 173.318 175.800 -0.157 0.000 1.075 255 F CA -2.566 55.184 58.000 -0.416 0.000 0.945 255 F CB 3.033 41.698 39.000 -0.559 0.000 1.310 255 F HN 0.690 8.617 8.300 -0.622 0.000 0.467 256 G N -2.414 106.440 108.800 0.090 0.000 2.605 256 G HA2 0.523 nan 3.960 nan 0.000 0.296 256 G HA3 0.523 nan 3.960 nan 0.000 0.296 256 G C -3.145 171.875 174.900 0.200 0.000 1.304 256 G CA -1.689 43.454 45.100 0.072 0.000 0.941 256 G HN 0.264 8.688 8.290 0.224 0.000 0.475 257 E N 0.194 120.513 120.200 0.198 0.000 2.115 257 E HA 0.355 nan 4.350 nan 0.000 0.282 257 E C -1.445 175.318 176.600 0.272 0.000 0.987 257 E CA -2.013 54.590 56.400 0.338 0.000 0.797 257 E CB 2.244 32.162 29.700 0.364 0.000 1.086 257 E HN 0.047 8.483 8.360 0.127 0.000 0.397 258 W N 7.234 128.581 121.300 0.078 0.000 2.463 258 W HA 0.123 nan 4.660 nan 0.000 0.316 258 W C -2.576 173.801 176.519 -0.238 0.000 1.004 258 W CA -2.043 55.284 57.345 -0.030 0.000 1.309 258 W CB 1.868 31.313 29.460 -0.026 0.000 1.288 258 W HN 0.156 8.645 8.180 0.516 0.000 0.423 259 F N 6.071 125.822 119.950 -0.331 0.000 2.471 259 F HA -0.166 nan 4.527 nan 0.000 0.353 259 F C -1.934 173.591 175.800 -0.459 0.000 1.113 259 F CA 0.853 58.334 58.000 -0.865 0.000 1.262 259 F CB 1.826 40.556 39.000 -0.451 0.000 1.146 259 F HN 0.104 8.407 8.300 0.005 0.000 0.578 260 L N 5.737 126.518 121.223 -0.738 0.000 2.408 260 L HA 0.490 nan 4.340 nan 0.000 0.268 260 L C -1.204 175.610 176.870 -0.093 0.000 0.986 260 L CA -1.343 53.365 54.840 -0.220 0.000 0.820 260 L CB 3.358 45.229 42.059 -0.315 0.000 1.303 260 L HN -0.181 7.027 8.230 -1.704 0.000 0.411 261 G N 3.603 112.448 108.800 0.075 0.000 2.588 261 G HA2 0.053 nan 3.960 nan 0.000 0.278 261 G HA3 0.053 nan 3.960 nan 0.000 0.278 261 G C 0.982 175.926 174.900 0.073 0.000 1.307 261 G CA -0.752 44.430 45.100 0.137 0.000 1.016 261 G HN -0.048 8.577 8.290 0.057 -0.301 0.503 262 V N -0.308 119.655 119.914 0.081 0.000 2.220 262 V HA -0.362 nan 4.120 nan 0.000 0.250 262 V C 0.714 176.826 176.094 0.031 0.000 1.056 262 V CA 2.677 65.009 62.300 0.054 0.000 1.016 262 V CB -0.150 31.699 31.823 0.044 0.000 0.639 262 V HN 0.295 8.545 8.190 0.100 0.000 0.446 263 N N -2.826 115.889 118.700 0.025 0.000 2.328 263 N HA 0.164 nan 4.740 nan 0.000 0.247 263 N C -1.646 173.872 175.510 0.013 0.000 1.165 263 N CA -0.407 52.653 53.050 0.017 0.000 0.873 263 N CB 0.377 38.873 38.487 0.015 0.000 1.125 263 N HN -0.179 8.220 8.380 0.030 0.000 0.513 264 E N 1.489 121.692 120.200 0.005 0.000 2.180 264 E HA -0.010 nan 4.350 nan 0.000 0.283 264 E C -1.201 175.372 176.600 -0.044 0.000 1.061 264 E CA -0.169 56.228 56.400 -0.005 0.000 0.861 264 E CB 0.433 30.135 29.700 0.002 0.000 1.056 264 E HN -0.818 7.473 8.360 0.005 0.072 0.407 265 I N 5.737 126.302 120.570 -0.009 0.000 2.339 265 I HA 0.157 nan 4.170 nan 0.000 0.290 265 I C -0.619 175.512 176.117 0.025 0.000 0.994 265 I CA -1.345 59.958 61.300 0.006 0.000 1.191 265 I CB 0.390 38.423 38.000 0.055 0.000 1.343 265 I HN 0.058 8.277 8.210 0.014 0.000 0.458 266 S N 7.111 122.802 115.700 -0.015 0.000 2.502 266 S HA 0.495 nan 4.470 nan 0.000 0.304 266 S C -1.416 173.257 174.600 0.122 0.000 1.097 266 S CA -4.146 54.084 58.200 0.050 0.000 1.045 266 S CB 1.640 64.859 63.200 0.032 0.000 1.019 266 S HN -0.051 8.198 8.310 -0.103 0.000 0.481 267 P HA -0.093 nan 4.420 nan 0.000 0.217 267 P C 0.902 178.267 177.300 0.109 0.000 1.154 267 P CA 2.112 65.304 63.100 0.154 0.000 0.841 267 P CB 0.491 32.270 31.700 0.133 0.000 0.788 268 E N -2.142 118.130 120.200 0.120 0.000 2.110 268 E HA -0.309 nan 4.350 nan 0.000 0.193 268 E C 2.159 178.566 176.600 -0.322 0.000 0.988 268 E CA 2.833 59.287 56.400 0.090 0.000 0.804 268 E CB -1.040 28.893 29.700 0.388 0.000 0.745 268 E HN 0.170 8.634 8.360 0.173 0.000 0.458 269 Y N 0.532 120.376 120.300 -0.759 0.000 2.097 269 Y HA -0.512 nan 4.550 nan 0.000 0.282 269 Y C 1.803 177.287 175.900 -0.692 0.000 1.152 269 Y CA 3.972 61.267 58.100 -1.341 0.000 1.136 269 Y CB -0.020 37.777 38.460 -1.105 0.000 0.975 269 Y HN -0.782 7.390 8.280 -0.181 0.000 0.498 270 H N -2.115 116.805 119.070 -0.250 0.000 2.357 270 H HA -0.317 nan 4.556 nan 0.000 0.301 270 H C 2.487 177.683 175.328 -0.219 0.000 1.082 270 H CA 3.963 59.843 56.048 -0.280 0.000 1.342 270 H CB -0.108 29.547 29.762 -0.178 0.000 1.389 270 H HN -0.689 7.517 8.280 -0.124 0.000 0.511 271 Q N -0.282 119.496 119.800 -0.037 0.000 2.135 271 Q HA -0.373 nan 4.340 nan 0.000 0.204 271 Q C 2.259 178.191 176.000 -0.113 0.000 0.981 271 Q CA 3.288 59.068 55.803 -0.038 0.000 0.856 271 Q CB -0.233 28.519 28.738 0.023 0.000 0.902 271 Q HN 0.049 8.316 8.270 -0.005 0.000 0.425 272 F N 0.524 120.278 119.950 -0.328 0.000 2.113 272 F HA -0.378 nan 4.527 nan 0.000 0.297 272 F C 1.141 176.792 175.800 -0.248 0.000 1.103 272 F CA 3.141 60.929 58.000 -0.353 0.000 1.248 272 F CB 0.017 38.652 39.000 -0.608 0.000 0.999 272 F HN 0.050 8.015 8.300 -0.208 0.210 0.475 273 A N -1.549 121.193 122.820 -0.129 0.000 1.969 273 A HA -0.319 nan 4.320 nan 0.000 0.218 273 A C 1.727 179.278 177.584 -0.054 0.000 1.169 273 A CA 2.936 54.946 52.037 -0.045 0.000 0.635 273 A CB -0.835 18.218 19.000 0.088 0.000 0.810 273 A HN -0.043 7.975 8.150 -0.219 0.000 0.445 274 N N -3.073 115.588 118.700 -0.064 0.000 2.354 274 N HA -0.075 nan 4.740 nan 0.000 0.179 274 N C 1.201 176.658 175.510 -0.088 0.000 1.021 274 N CA 2.175 55.200 53.050 -0.042 0.000 0.887 274 N CB 0.492 38.965 38.487 -0.023 0.000 0.974 274 N HN 0.003 8.317 8.380 -0.080 0.018 0.437 275 E N -3.439 116.662 120.200 -0.165 0.000 2.571 275 E HA 0.254 nan 4.350 nan 0.000 0.222 275 E C 0.227 176.677 176.600 -0.251 0.000 0.904 275 E CA 0.317 56.618 56.400 -0.165 0.000 1.157 275 E CB 1.855 31.491 29.700 -0.107 0.000 1.158 275 E HN -0.218 8.012 8.360 -0.217 0.000 0.540 276 S N -1.081 114.342 115.700 -0.462 0.000 2.428 276 S HA -0.181 nan 4.470 nan 0.000 0.230 276 S C 1.066 175.489 174.600 -0.296 0.000 1.014 276 S CA 2.455 60.338 58.200 -0.529 0.000 0.957 276 S CB 0.741 63.227 63.200 -1.190 0.000 0.784 276 S HN -0.199 7.769 8.310 -0.570 0.000 0.499 277 G N 0.390 109.049 108.800 -0.236 0.000 2.179 277 G HA2 -0.163 nan 3.960 nan 0.000 0.220 277 G HA3 -0.163 nan 3.960 nan 0.000 0.220 277 G C -1.391 173.435 174.900 -0.123 0.000 0.990 277 G CA -0.273 44.734 45.100 -0.156 0.000 0.646 277 G HN 0.210 8.350 8.290 -0.250 0.000 0.517 278 M N -2.778 116.743 119.600 -0.131 0.000 2.572 278 M HA 0.618 nan 4.480 nan 0.000 0.299 278 M C -2.195 174.082 176.300 -0.037 0.000 1.205 278 M CA -1.104 54.153 55.300 -0.072 0.000 0.876 278 M CB 3.525 36.129 32.600 0.008 0.000 1.728 278 M HN -0.741 7.383 8.290 -0.207 0.042 0.458 279 S N -2.084 113.591 115.700 -0.042 0.000 2.623 279 S HA 0.617 nan 4.470 nan 0.000 0.278 279 S C -1.116 173.546 174.600 0.104 0.000 1.148 279 S CA -0.916 57.293 58.200 0.015 0.000 1.028 279 S CB 1.469 64.663 63.200 -0.010 0.000 1.145 279 S HN -0.080 8.146 8.310 -0.140 0.000 0.523 280 L N -1.890 119.397 121.223 0.108 0.000 2.350 280 L HA 0.666 nan 4.340 nan 0.000 0.260 280 L C -1.800 175.229 176.870 0.264 0.000 1.015 280 L CA -1.485 53.474 54.840 0.198 0.000 0.821 280 L CB 4.078 46.180 42.059 0.070 0.000 1.370 280 L HN 0.012 8.564 8.230 0.041 -0.297 0.416 281 L N 1.461 122.953 121.223 0.447 0.000 2.410 281 L HA 0.033 nan 4.340 nan 0.000 0.273 281 L C -0.237 177.019 176.870 0.642 0.000 1.144 281 L CA -0.398 54.750 54.840 0.514 0.000 0.863 281 L CB -0.681 41.692 42.059 0.523 0.000 1.140 281 L HN 0.073 8.596 8.230 0.488 0.000 0.463 282 D N 7.843 128.510 120.400 0.445 0.000 2.545 282 D HA -0.017 nan 4.640 nan 0.000 0.227 282 D C 0.618 177.058 176.300 0.233 0.000 1.150 282 D CA -0.776 53.432 54.000 0.347 0.000 1.046 282 D CB -1.054 39.763 40.800 0.029 0.000 1.098 282 D HN 0.521 8.974 8.370 0.326 0.112 0.502 283 F N 3.073 123.247 119.950 0.374 0.000 2.269 283 F HA -0.424 nan 4.527 nan 0.000 0.301 283 F C 1.292 177.117 175.800 0.041 0.000 1.082 283 F CA 3.823 61.921 58.000 0.162 0.000 1.360 283 F CB 0.071 39.137 39.000 0.111 0.000 1.041 283 F HN 0.056 8.901 8.300 0.999 0.055 0.512 284 R N -0.166 120.513 120.500 0.299 0.000 2.075 284 R HA -0.366 nan 4.340 nan 0.000 0.232 284 R C 1.776 178.202 176.300 0.211 0.000 1.126 284 R CA 3.247 59.470 56.100 0.205 0.000 0.963 284 R CB -0.495 29.972 30.300 0.279 0.000 0.858 284 R HN -0.612 7.977 8.270 0.454 -0.047 0.435 285 F N 0.474 120.473 119.950 0.082 0.000 2.039 285 F HA -0.382 nan 4.527 nan 0.000 0.294 285 F C 0.857 176.622 175.800 -0.059 0.000 1.130 285 F CA 3.456 61.477 58.000 0.035 0.000 1.189 285 F CB 0.260 39.248 39.000 -0.020 0.000 0.983 285 F HN -0.465 8.341 8.300 0.413 -0.258 0.471 286 A N -1.898 120.943 122.820 0.035 0.000 1.903 286 A HA -0.477 nan 4.320 nan 0.000 0.219 286 A C 2.244 179.782 177.584 -0.077 0.000 1.191 286 A CA 3.473 55.365 52.037 -0.242 0.000 0.638 286 A CB -0.996 17.402 19.000 -1.005 0.000 0.823 286 A HN 0.394 8.518 8.150 -0.044 0.000 0.451 287 Q N -2.751 117.037 119.800 -0.021 0.000 2.119 287 Q HA -0.260 nan 4.340 nan 0.000 0.201 287 Q C 2.698 178.701 176.000 0.005 0.000 0.972 287 Q CA 2.727 58.545 55.803 0.025 0.000 0.847 287 Q CB -0.139 28.631 28.738 0.052 0.000 0.903 287 Q HN 0.122 8.281 8.270 -0.002 0.110 0.433 288 K N 0.290 120.677 120.400 -0.021 0.000 2.155 288 K HA -0.194 nan 4.320 nan 0.000 0.203 288 K C 1.894 178.437 176.600 -0.094 0.000 1.052 288 K CA 1.724 57.976 56.287 -0.058 0.000 0.948 288 K CB -0.451 32.013 32.500 -0.060 0.000 0.728 288 K HN -0.416 7.828 8.250 -0.010 0.000 0.448 289 A N -0.153 122.615 122.820 -0.086 0.000 1.877 289 A HA -0.273 nan 4.320 nan 0.000 0.216 289 A C 2.233 179.972 177.584 0.257 0.000 1.186 289 A CA 3.306 55.383 52.037 0.066 0.000 0.620 289 A CB -0.732 18.314 19.000 0.075 0.000 0.822 289 A HN 0.270 8.345 8.150 -0.125 0.000 0.443 290 R N -2.332 118.294 120.500 0.210 0.000 2.115 290 R HA -0.383 nan 4.340 nan 0.000 0.230 290 R C 2.485 178.789 176.300 0.006 0.000 1.111 290 R CA 3.691 59.879 56.100 0.146 0.000 0.976 290 R CB -0.208 30.132 30.300 0.066 0.000 0.870 290 R HN -0.282 8.074 8.270 0.144 0.000 0.445 291 Q N -0.605 119.181 119.800 -0.023 0.000 2.119 291 Q HA -0.289 nan 4.340 nan 0.000 0.201 291 Q C 2.747 178.683 176.000 -0.106 0.000 0.972 291 Q CA 3.492 59.258 55.803 -0.061 0.000 0.847 291 Q CB 0.014 28.716 28.738 -0.059 0.000 0.903 291 Q HN -0.308 7.874 8.270 -0.012 0.081 0.433 292 V N 0.065 119.871 119.914 -0.179 0.000 2.300 292 V HA -0.240 nan 4.120 nan 0.000 0.241 292 V C 2.208 178.105 176.094 -0.328 0.000 1.034 292 V CA 4.581 66.673 62.300 -0.348 0.000 1.021 292 V CB -0.254 31.203 31.823 -0.609 0.000 0.662 292 V HN -0.022 8.070 8.190 -0.164 0.000 0.458 293 F N -3.505 116.435 119.950 -0.017 0.000 2.615 293 F HA -0.097 nan 4.527 nan 0.000 0.297 293 F C 0.926 176.815 175.800 0.148 0.000 1.124 293 F CA 3.093 61.156 58.000 0.104 0.000 1.451 293 F CB 0.182 39.312 39.000 0.218 0.000 1.103 293 F HN 0.120 8.351 8.300 -0.114 0.000 0.569 294 R N -1.617 118.936 120.500 0.087 0.000 2.144 294 R HA 0.082 nan 4.340 nan 0.000 0.195 294 R C 0.299 176.513 176.300 -0.143 0.000 1.077 294 R CA 1.759 57.720 56.100 -0.231 0.000 1.120 294 R CB 2.207 32.031 30.300 -0.794 0.000 1.060 294 R HN -0.290 7.908 8.270 0.050 0.102 0.520 295 D N -1.126 119.202 120.400 -0.120 0.000 2.379 295 D HA 0.025 nan 4.640 nan 0.000 0.208 295 D C -0.469 175.794 176.300 -0.060 0.000 1.065 295 D CA 1.033 54.980 54.000 -0.089 0.000 0.848 295 D CB 0.500 41.250 40.800 -0.083 0.000 0.949 295 D HN -0.129 8.173 8.370 -0.113 0.000 0.509 296 N N -1.419 117.245 118.700 -0.061 0.000 2.714 296 N HA -0.295 nan 4.740 nan 0.000 0.252 296 N C 0.458 175.937 175.510 -0.052 0.000 1.014 296 N CA 0.523 53.537 53.050 -0.060 0.000 0.735 296 N CB -0.399 38.064 38.487 -0.040 0.000 0.924 296 N HN 0.027 8.369 8.380 -0.064 0.000 0.540 297 T N -6.917 107.603 114.554 -0.056 0.000 3.086 297 T HA 0.244 nan 4.350 nan 0.000 0.250 297 T C -0.362 174.311 174.700 -0.045 0.000 1.074 297 T CA 0.143 62.217 62.100 -0.042 0.000 0.988 297 T CB 0.704 69.551 68.868 -0.035 0.000 0.988 297 T HN 0.006 8.105 8.240 -0.064 0.102 0.530 298 D N 0.837 121.197 120.400 -0.066 0.000 2.615 298 D HA 0.300 nan 4.640 nan 0.000 0.267 298 D C -2.557 173.681 176.300 -0.102 0.000 1.236 298 D CA -1.474 52.486 54.000 -0.066 0.000 0.839 298 D CB 3.022 43.782 40.800 -0.066 0.000 1.380 298 D HN -0.707 7.568 8.370 -0.085 0.044 0.433 299 N N -2.139 116.511 118.700 -0.083 0.000 2.989 299 N HA 0.468 nan 4.740 nan 0.000 0.338 299 N C 1.057 176.465 175.510 -0.171 0.000 1.369 299 N CA -0.961 52.021 53.050 -0.113 0.000 0.794 299 N CB 1.450 39.920 38.487 -0.028 0.000 1.359 299 N HN -0.103 8.249 8.380 -0.046 0.000 0.609 300 M N -1.315 118.151 119.600 -0.223 0.000 2.374 300 M HA -0.200 nan 4.480 nan 0.000 0.264 300 M C 2.104 178.229 176.300 -0.292 0.000 1.067 300 M CA 1.937 57.055 55.300 -0.303 0.000 1.103 300 M CB -0.811 31.590 32.600 -0.333 0.000 1.402 300 M HN -0.144 8.028 8.290 -0.197 0.000 0.444 301 Y N -0.739 119.515 120.300 -0.077 0.000 2.263 301 Y HA -0.384 nan 4.550 nan 0.000 0.292 301 Y C 2.061 177.930 175.900 -0.050 0.000 1.130 301 Y CA 3.470 61.538 58.100 -0.054 0.000 1.179 301 Y CB -0.435 37.994 38.460 -0.051 0.000 0.998 301 Y HN 0.088 8.550 8.280 -0.079 -0.229 0.532 302 G N -0.828 108.014 108.800 0.071 0.000 2.418 302 G HA2 -0.395 nan 3.960 nan 0.000 0.217 302 G HA3 -0.395 nan 3.960 nan 0.000 0.217 302 G C 0.730 175.609 174.900 -0.035 0.000 1.158 302 G CA 1.836 46.942 45.100 0.009 0.000 0.771 302 G HN -0.476 8.070 8.290 0.078 -0.209 0.545 303 L N 1.693 122.851 121.223 -0.109 0.000 1.994 303 L HA -0.331 nan 4.340 nan 0.000 0.208 303 L C 1.295 178.142 176.870 -0.037 0.000 1.071 303 L CA 3.058 57.813 54.840 -0.143 0.000 0.745 303 L CB -0.139 41.748 42.059 -0.288 0.000 0.892 303 L HN -0.443 7.626 8.230 -0.144 0.074 0.431 304 K N -0.963 119.424 120.400 -0.022 0.000 2.020 304 K HA -0.493 nan 4.320 nan 0.000 0.212 304 K C 1.978 178.619 176.600 0.069 0.000 1.050 304 K CA 3.544 59.854 56.287 0.038 0.000 0.929 304 K CB -0.053 32.469 32.500 0.035 0.000 0.714 304 K HN 0.157 8.259 8.250 -0.068 0.106 0.443 305 A N -1.148 121.715 122.820 0.072 0.000 1.908 305 A HA -0.300 nan 4.320 nan 0.000 0.218 305 A C 2.321 179.947 177.584 0.069 0.000 1.181 305 A CA 3.185 55.265 52.037 0.071 0.000 0.627 305 A CB -0.888 18.150 19.000 0.063 0.000 0.818 305 A HN 0.316 8.403 8.150 0.076 0.108 0.445 306 M N -0.865 118.775 119.600 0.066 0.000 2.132 306 M HA -0.227 nan 4.480 nan 0.000 0.263 306 M C 1.941 178.322 176.300 0.135 0.000 1.065 306 M CA 2.884 58.240 55.300 0.094 0.000 1.122 306 M CB -0.357 32.286 32.600 0.073 0.000 1.365 306 M HN -0.406 7.911 8.290 0.046 0.000 0.411 307 L N -1.771 119.527 121.223 0.124 0.000 2.156 307 L HA -0.264 nan 4.340 nan 0.000 0.208 307 L C 2.676 179.624 176.870 0.129 0.000 1.095 307 L CA 2.479 57.407 54.840 0.146 0.000 0.770 307 L CB -1.749 40.376 42.059 0.110 0.000 0.914 307 L HN -0.121 8.085 8.230 0.096 0.082 0.439 308 E N -0.473 119.791 120.200 0.107 0.000 2.046 308 E HA -0.267 nan 4.350 nan 0.000 0.190 308 E C 2.742 179.391 176.600 0.081 0.000 0.982 308 E CA 2.845 59.302 56.400 0.094 0.000 0.800 308 E CB -0.030 29.722 29.700 0.087 0.000 0.756 308 E HN 0.258 8.662 8.360 0.100 0.017 0.449 309 G N -1.609 107.235 108.800 0.075 0.000 2.418 309 G HA2 -0.289 nan 3.960 nan 0.000 0.217 309 G HA3 -0.289 nan 3.960 nan 0.000 0.217 309 G C 1.294 176.228 174.900 0.056 0.000 1.158 309 G CA 2.124 47.252 45.100 0.047 0.000 0.771 309 G HN 0.317 8.548 8.290 0.079 0.107 0.545 310 S N 0.372 116.156 115.700 0.139 0.000 2.453 310 S HA -0.240 nan 4.470 nan 0.000 0.231 310 S C 1.710 176.470 174.600 0.268 0.000 1.005 310 S CA 3.540 61.887 58.200 0.246 0.000 0.949 310 S CB -0.100 63.368 63.200 0.446 0.000 0.774 310 S HN -0.065 8.340 8.310 0.158 0.000 0.510 311 E N 1.256 121.560 120.200 0.173 0.000 2.338 311 E HA -0.119 nan 4.350 nan 0.000 0.197 311 E C 0.917 177.575 176.600 0.096 0.000 1.007 311 E CA 2.268 58.753 56.400 0.140 0.000 0.849 311 E CB 0.009 29.773 29.700 0.106 0.000 0.774 311 E HN -0.490 7.937 8.360 0.147 0.021 0.506 312 V N -1.991 117.955 119.914 0.054 0.000 2.672 312 V HA -0.128 nan 4.120 nan 0.000 0.242 312 V C 1.627 177.695 176.094 -0.043 0.000 1.059 312 V CA 2.257 64.558 62.300 0.003 0.000 1.081 312 V CB 0.077 31.890 31.823 -0.017 0.000 0.752 312 V HN -0.497 7.578 8.190 0.055 0.149 0.472 313 D N -0.828 119.499 120.400 -0.121 0.000 2.144 313 D HA -0.142 nan 4.640 nan 0.000 0.200 313 D C 0.387 176.532 176.300 -0.258 0.000 0.978 313 D CA 2.674 56.479 54.000 -0.325 0.000 0.833 313 D CB 0.390 40.769 40.800 -0.702 0.000 0.961 313 D HN -0.430 7.887 8.370 -0.089 0.000 0.470 314 Y N -1.285 119.017 120.300 0.002 0.000 2.336 314 Y HA -0.201 nan 4.550 nan 0.000 0.335 314 Y C -0.011 175.892 175.900 0.005 0.000 1.046 314 Y CA 0.111 58.244 58.100 0.056 0.000 1.198 314 Y CB -0.085 38.427 38.460 0.087 0.000 1.182 314 Y HN -0.767 7.590 8.280 0.130 0.000 0.502 315 A N 5.995 128.893 122.820 0.130 0.000 1.933 315 A HA -0.225 nan 4.320 nan 0.000 0.218 315 A C 0.164 177.771 177.584 0.038 0.000 1.175 315 A CA 2.143 54.207 52.037 0.045 0.000 0.628 315 A CB 0.195 19.206 19.000 0.018 0.000 0.814 315 A HN 0.519 9.129 8.150 0.129 -0.382 0.444 316 Q N -3.396 116.468 119.800 0.106 0.000 2.907 316 Q HA 0.251 nan 4.340 nan 0.000 0.262 316 Q C -0.117 175.940 176.000 0.095 0.000 0.997 316 Q CA -1.363 54.499 55.803 0.098 0.000 0.797 316 Q CB -0.000 28.839 28.738 0.169 0.000 1.228 316 Q HN -0.187 8.179 8.270 0.161 0.000 0.466 317 V N 2.689 122.654 119.914 0.086 0.000 2.688 317 V HA -0.409 nan 4.120 nan 0.000 0.256 317 V C -0.010 176.046 176.094 -0.064 0.000 1.084 317 V CA 2.700 64.991 62.300 -0.015 0.000 1.103 317 V CB -0.005 31.870 31.823 0.088 0.000 0.688 317 V HN 0.335 8.587 8.190 0.103 0.000 0.480 318 N N -3.412 115.307 118.700 0.032 0.000 2.571 318 N HA -0.151 nan 4.740 nan 0.000 0.189 318 N C 0.312 175.834 175.510 0.020 0.000 1.154 318 N CA 1.830 54.899 53.050 0.032 0.000 0.907 318 N CB -0.800 37.767 38.487 0.134 0.000 0.977 318 N HN 0.126 8.525 8.380 0.086 0.033 0.449 319 D N -2.151 118.267 120.400 0.029 0.000 2.433 319 D HA 0.243 nan 4.640 nan 0.000 0.211 319 D C -1.054 175.284 176.300 0.063 0.000 1.114 319 D CA 0.014 54.084 54.000 0.118 0.000 0.837 319 D CB 1.534 42.452 40.800 0.197 0.000 0.984 319 D HN -0.254 7.934 8.370 0.002 0.183 0.505 320 Q N -1.162 118.559 119.800 -0.131 0.000 2.259 320 Q HA 0.279 nan 4.340 nan 0.000 0.249 320 Q C -0.436 175.452 176.000 -0.186 0.000 0.914 320 Q CA -1.113 54.561 55.803 -0.216 0.000 0.904 320 Q CB 0.624 29.046 28.738 -0.527 0.000 1.213 320 Q HN -0.582 7.582 8.270 -0.177 0.000 0.428 321 V N 4.643 124.464 119.914 -0.156 0.000 2.385 321 V HA 0.363 nan 4.120 nan 0.000 0.269 321 V C -0.698 175.373 176.094 -0.039 0.000 1.043 321 V CA -0.408 61.783 62.300 -0.182 0.000 0.906 321 V CB -0.621 30.916 31.823 -0.477 0.000 0.995 321 V HN 0.136 8.264 8.190 -0.103 0.000 0.467 322 T N 3.753 118.196 114.554 -0.186 0.000 2.934 322 T HA 0.780 nan 4.350 nan 0.000 0.283 322 T C -1.795 172.902 174.700 -0.006 0.000 1.005 322 T CA -2.704 59.158 62.100 -0.396 0.000 1.041 322 T CB 1.635 69.782 68.868 -1.201 0.000 1.042 322 T HN 0.376 8.375 8.240 -0.222 0.107 0.505 323 F N -2.768 117.172 119.950 -0.017 0.000 2.770 323 F HA 0.456 nan 4.527 nan 0.000 0.313 323 F C -2.060 173.854 175.800 0.190 0.000 1.154 323 F CA -0.565 57.481 58.000 0.078 0.000 0.923 323 F CB 2.108 41.139 39.000 0.053 0.000 1.301 323 F HN -0.044 7.958 8.300 -0.496 0.000 0.449 324 I N -7.204 113.519 120.570 0.255 0.000 4.181 324 I HA 0.324 nan 4.170 nan 0.000 0.331 324 I C -1.720 174.628 176.117 0.384 0.000 1.312 324 I CA -0.156 61.285 61.300 0.234 0.000 1.146 324 I CB 1.766 39.806 38.000 0.068 0.000 1.074 324 I HN 0.495 8.896 8.210 0.318 0.000 0.402 325 D N -2.824 117.840 120.400 0.441 0.000 2.692 325 D HA 0.061 nan 4.640 nan 0.000 0.290 325 D C -2.414 173.985 176.300 0.165 0.000 1.281 325 D CA -1.181 53.032 54.000 0.356 0.000 0.804 325 D CB 2.606 43.606 40.800 0.333 0.000 1.331 325 D HN -0.447 8.201 8.370 0.462 0.000 0.432 326 N N -4.537 114.065 118.700 -0.164 0.000 3.441 326 N HA 0.047 nan 4.740 nan 0.000 0.313 326 N C 0.814 175.864 175.510 -0.766 0.000 1.526 326 N CA -0.813 51.806 53.050 -0.718 0.000 0.871 326 N CB 1.531 39.724 38.487 -0.490 0.000 1.779 326 N HN -0.106 8.243 8.380 -0.052 0.000 0.529 327 H N -4.182 114.465 119.070 -0.706 0.000 2.567 327 H HA -0.062 nan 4.556 nan 0.000 0.276 327 H C 0.268 175.632 175.328 0.059 0.000 1.016 327 H CA 2.021 57.977 56.048 -0.154 0.000 1.186 327 H CB -0.611 29.288 29.762 0.229 0.000 1.351 327 H HN 0.492 8.595 8.280 -0.295 0.000 0.605 328 D N -0.137 120.120 120.400 -0.237 0.000 2.469 328 D HA 0.196 nan 4.640 nan 0.000 0.213 328 D C -0.895 175.510 176.300 0.176 0.000 1.135 328 D CA 0.331 54.343 54.000 0.020 0.000 0.834 328 D CB 0.849 41.759 40.800 0.183 0.000 1.009 328 D HN 0.072 8.529 8.370 -0.323 -0.281 0.507 329 M N -1.009 118.670 119.600 0.133 0.000 2.644 329 M HA 0.218 nan 4.480 nan 0.000 0.304 329 M C -1.121 175.256 176.300 0.129 0.000 1.215 329 M CA -1.113 54.294 55.300 0.179 0.000 0.871 329 M CB 3.791 36.514 32.600 0.204 0.000 1.740 329 M HN -0.688 7.627 8.290 0.042 0.000 0.464 330 E N -0.452 119.817 120.200 0.116 0.000 2.415 330 E HA 0.022 nan 4.350 nan 0.000 0.262 330 E C -0.388 176.289 176.600 0.129 0.000 1.038 330 E CA 0.360 56.817 56.400 0.095 0.000 0.921 330 E CB 0.448 30.182 29.700 0.057 0.000 0.950 330 E HN 0.328 8.760 8.360 0.121 0.000 0.438 331 R N 1.418 122.004 120.500 0.143 0.000 2.623 331 R HA -0.198 nan 4.340 nan 0.000 0.271 331 R C 1.264 177.688 176.300 0.208 0.000 1.043 331 R CA 1.078 57.301 56.100 0.205 0.000 1.083 331 R CB 0.375 30.780 30.300 0.175 0.000 0.974 331 R HN 0.245 8.585 8.270 0.117 0.000 0.436 332 F N 4.919 124.957 119.950 0.146 0.000 2.095 332 F HA -0.365 nan 4.527 nan 0.000 0.298 332 F C 0.420 176.300 175.800 0.134 0.000 1.104 332 F CA 3.570 61.653 58.000 0.137 0.000 1.232 332 F CB 0.608 39.698 39.000 0.150 0.000 0.987 332 F HN 0.305 9.220 8.300 0.433 -0.355 0.475 333 H N 0.163 119.457 119.070 0.373 0.000 2.955 333 H HA 0.016 nan 4.556 nan 0.000 0.290 333 H C -1.159 174.250 175.328 0.135 0.000 1.047 333 H CA 0.551 56.763 56.048 0.273 0.000 1.484 333 H CB 0.766 30.689 29.762 0.267 0.000 1.501 333 H HN 0.003 8.604 8.280 0.534 0.000 0.521 334 T N 2.224 116.479 114.554 -0.498 0.000 2.884 334 T HA 0.255 nan 4.350 nan 0.000 0.277 334 T C 1.370 175.851 174.700 -0.365 0.000 0.976 334 T CA -1.755 60.157 62.100 -0.313 0.000 0.956 334 T CB 1.472 70.221 68.868 -0.198 0.000 1.113 334 T HN 0.032 7.961 8.240 -0.518 0.000 0.554 335 S N -0.362 115.246 115.700 -0.153 0.000 2.383 335 S HA -0.209 nan 4.470 nan 0.000 0.227 335 S C 0.454 175.017 174.600 -0.063 0.000 1.026 335 S CA 2.361 60.516 58.200 -0.075 0.000 0.981 335 S CB -0.178 63.002 63.200 -0.035 0.000 0.818 335 S HN 0.417 8.662 8.310 -0.108 0.000 0.472 336 N N 0.135 118.790 118.700 -0.074 0.000 2.214 336 N HA 0.062 nan 4.740 nan 0.000 0.214 336 N C -0.837 174.649 175.510 -0.040 0.000 1.132 336 N CA -0.519 52.507 53.050 -0.040 0.000 0.856 336 N CB -0.278 38.192 38.487 -0.029 0.000 1.020 336 N HN -0.222 8.104 8.380 -0.090 0.000 0.509 337 G N -0.090 108.654 108.800 -0.094 0.000 2.338 337 G HA2 -0.045 nan 3.960 nan 0.000 0.298 337 G HA3 -0.045 nan 3.960 nan 0.000 0.298 337 G C -1.362 173.595 174.900 0.095 0.000 1.140 337 G CA -0.752 44.326 45.100 -0.037 0.000 0.860 337 G HN -0.842 7.168 8.290 -0.189 0.166 0.470 338 D N 3.468 123.943 120.400 0.126 0.000 2.458 338 D HA -0.148 nan 4.640 nan 0.000 0.243 338 D C 1.276 177.726 176.300 0.250 0.000 1.146 338 D CA -0.295 53.799 54.000 0.156 0.000 0.877 338 D CB 1.371 42.238 40.800 0.111 0.000 1.176 338 D HN 0.197 8.621 8.370 0.090 0.000 0.461 339 R N 5.718 126.342 120.500 0.207 0.000 2.249 339 R HA -0.358 nan 4.340 nan 0.000 0.230 339 R C 1.936 178.364 176.300 0.213 0.000 1.121 339 R CA 2.727 58.944 56.100 0.194 0.000 0.997 339 R CB -0.106 30.128 30.300 -0.109 0.000 0.867 339 R HN 0.524 8.869 8.270 0.125 0.000 0.465 340 R N -0.233 120.362 120.500 0.157 0.000 2.092 340 R HA -0.233 nan 4.340 nan 0.000 0.231 340 R C 1.418 177.812 176.300 0.158 0.000 1.119 340 R CA 2.111 58.290 56.100 0.132 0.000 0.970 340 R CB -0.839 29.524 30.300 0.104 0.000 0.864 340 R HN -0.143 8.471 8.270 0.133 -0.264 0.440 341 K N -0.431 120.107 120.400 0.230 0.000 2.044 341 K HA -0.354 nan 4.320 nan 0.000 0.210 341 K C 2.236 179.000 176.600 0.272 0.000 1.049 341 K CA 3.681 60.162 56.287 0.323 0.000 0.927 341 K CB -0.620 32.121 32.500 0.402 0.000 0.713 341 K HN -0.426 7.951 8.250 0.232 0.012 0.443 342 L N -1.167 120.222 121.223 0.277 0.000 2.056 342 L HA -0.353 nan 4.340 nan 0.000 0.207 342 L C 1.736 178.527 176.870 -0.131 0.000 1.078 342 L CA 3.017 57.862 54.840 0.008 0.000 0.749 342 L CB -0.435 41.719 42.059 0.157 0.000 0.901 342 L HN -0.679 7.681 8.230 0.364 0.088 0.433 343 E N -0.937 119.265 120.200 0.003 0.000 2.051 343 E HA -0.477 nan 4.350 nan 0.000 0.192 343 E C 2.543 179.084 176.600 -0.097 0.000 0.991 343 E CA 3.764 60.148 56.400 -0.026 0.000 0.799 343 E CB -0.301 29.433 29.700 0.057 0.000 0.748 343 E HN -0.318 8.036 8.360 0.108 0.071 0.449 344 Q N -0.767 118.971 119.800 -0.103 0.000 2.050 344 Q HA -0.333 nan 4.340 nan 0.000 0.202 344 Q C 2.506 178.248 176.000 -0.430 0.000 0.980 344 Q CA 3.054 58.745 55.803 -0.185 0.000 0.840 344 Q CB -0.113 28.549 28.738 -0.126 0.000 0.898 344 Q HN 0.198 8.446 8.270 -0.037 0.000 0.424 345 A N 0.270 122.728 122.820 -0.603 0.000 1.940 345 A HA -0.271 nan 4.320 nan 0.000 0.219 345 A C 2.169 179.530 177.584 -0.372 0.000 1.176 345 A CA 3.161 54.741 52.037 -0.761 0.000 0.631 345 A CB -0.846 17.617 19.000 -0.895 0.000 0.814 345 A HN -0.131 7.757 8.150 -0.436 0.000 0.446 346 L N -2.153 118.893 121.223 -0.294 0.000 2.072 346 L HA -0.390 nan 4.340 nan 0.000 0.205 346 L C 2.189 179.004 176.870 -0.091 0.000 1.079 346 L CA 2.755 57.500 54.840 -0.157 0.000 0.752 346 L CB -0.358 41.611 42.059 -0.149 0.000 0.906 346 L HN -0.009 8.021 8.230 -0.334 0.000 0.436 347 A N -0.041 122.723 122.820 -0.093 0.000 1.908 347 A HA -0.339 nan 4.320 nan 0.000 0.218 347 A C 1.800 179.409 177.584 0.042 0.000 1.181 347 A CA 3.122 55.133 52.037 -0.044 0.000 0.627 347 A CB -0.965 18.004 19.000 -0.051 0.000 0.818 347 A HN -0.057 7.945 8.150 -0.132 0.069 0.445 348 F N -1.487 118.400 119.950 -0.105 0.000 2.069 348 F HA -0.452 nan 4.527 nan 0.000 0.298 348 F C 1.854 177.728 175.800 0.123 0.000 1.113 348 F CA 3.543 61.559 58.000 0.028 0.000 1.214 348 F CB 0.096 38.989 39.000 -0.178 0.000 0.978 348 F HN 0.440 8.758 8.300 0.031 0.000 0.474 349 T N 1.687 116.265 114.554 0.040 0.000 2.867 349 T HA -0.280 nan 4.350 nan 0.000 0.268 349 T C 2.601 177.238 174.700 -0.105 0.000 1.057 349 T CA 4.228 66.337 62.100 0.014 0.000 1.136 349 T CB -0.414 68.525 68.868 0.119 0.000 0.874 349 T HN -0.329 7.980 8.240 0.114 0.000 0.466 350 L N -0.013 121.167 121.223 -0.072 0.000 2.217 350 L HA -0.052 nan 4.340 nan 0.000 0.211 350 L C 1.976 178.793 176.870 -0.088 0.000 1.107 350 L CA 2.285 57.074 54.840 -0.085 0.000 0.783 350 L CB -0.902 41.112 42.059 -0.075 0.000 0.919 350 L HN 0.159 8.262 8.230 -0.043 0.101 0.442 351 T N -5.634 108.890 114.554 -0.049 0.000 3.069 351 T HA 0.075 nan 4.350 nan 0.000 0.252 351 T C 0.632 175.346 174.700 0.024 0.000 1.053 351 T CA 0.325 62.426 62.100 0.001 0.000 0.964 351 T CB 0.313 69.216 68.868 0.057 0.000 1.005 351 T HN -0.091 8.134 8.240 -0.026 0.000 0.532 352 S N 2.969 118.593 115.700 -0.127 0.000 2.669 352 S HA 0.213 nan 4.470 nan 0.000 0.270 352 S C -0.631 173.854 174.600 -0.192 0.000 1.225 352 S CA 0.030 58.104 58.200 -0.211 0.000 0.991 352 S CB 1.355 64.316 63.200 -0.399 0.000 0.987 352 S HN -0.553 7.490 8.310 -0.176 0.161 0.552 353 R N 0.387 120.790 120.500 -0.161 0.000 2.694 353 R HA 0.029 nan 4.340 nan 0.000 0.268 353 R C 0.215 176.372 176.300 -0.237 0.000 1.061 353 R CA -0.032 55.982 56.100 -0.142 0.000 1.133 353 R CB 0.158 30.421 30.300 -0.061 0.000 1.020 353 R HN 0.423 8.613 8.270 -0.134 0.000 0.475 354 G N -1.688 106.991 108.800 -0.202 0.000 2.378 354 G HA2 -0.274 nan 3.960 nan 0.000 0.198 354 G HA3 -0.274 nan 3.960 nan 0.000 0.198 354 G C -2.623 172.142 174.900 -0.226 0.000 1.223 354 G CA -0.714 44.243 45.100 -0.239 0.000 1.088 354 G HN 0.019 8.217 8.290 -0.153 0.000 0.530 355 V N 0.613 120.387 119.914 -0.233 0.000 2.419 355 V HA 0.379 nan 4.120 nan 0.000 0.287 355 V C -1.814 174.174 176.094 -0.176 0.000 1.017 355 V CA -3.301 58.874 62.300 -0.208 0.000 0.844 355 V CB 2.535 34.214 31.823 -0.241 0.000 1.011 355 V HN 0.015 8.054 8.190 -0.251 0.000 0.429 356 P HA 0.415 nan 4.420 nan 0.000 0.276 356 P C -2.114 175.204 177.300 0.029 0.000 1.230 356 P CA -0.693 62.352 63.100 -0.092 0.000 0.776 356 P CB 0.649 32.285 31.700 -0.107 0.000 0.888 357 A N 2.720 125.616 122.820 0.127 0.000 2.355 357 A HA 0.778 nan 4.320 nan 0.000 0.317 357 A C -1.367 176.367 177.584 0.249 0.000 1.094 357 A CA -1.622 50.564 52.037 0.249 0.000 0.764 357 A CB 2.883 22.118 19.000 0.391 0.000 1.230 357 A HN 0.206 8.435 8.150 0.132 0.000 0.448 358 I N 2.058 122.766 120.570 0.231 0.000 2.406 358 I HA 0.237 nan 4.170 nan 0.000 0.290 358 I C -1.515 174.686 176.117 0.139 0.000 0.999 358 I CA -1.115 60.302 61.300 0.195 0.000 1.124 358 I CB 3.115 41.243 38.000 0.214 0.000 1.289 358 I HN 0.807 9.061 8.210 0.252 0.107 0.441 359 Y N 9.236 129.526 120.300 -0.018 0.000 2.377 359 Y HA 0.075 nan 4.550 nan 0.000 0.330 359 Y C -0.629 175.139 175.900 -0.221 0.000 1.108 359 Y CA -2.114 55.932 58.100 -0.090 0.000 1.308 359 Y CB 0.632 39.091 38.460 -0.002 0.000 1.216 359 Y HN 0.432 8.874 8.280 0.270 0.000 0.518 360 Y N 4.943 124.839 120.300 -0.673 0.000 2.903 360 Y HA -0.488 nan 4.550 nan 0.000 0.338 360 Y C 0.349 176.090 175.900 -0.265 0.000 1.265 360 Y CA -0.294 57.412 58.100 -0.657 0.000 1.532 360 Y CB -0.893 37.285 38.460 -0.469 0.000 1.293 360 Y HN 0.282 8.497 8.280 -0.108 0.000 0.609 361 G N 4.340 113.101 108.800 -0.066 0.000 2.179 361 G HA2 -0.582 nan 3.960 nan 0.000 0.260 361 G HA3 -0.582 nan 3.960 nan 0.000 0.260 361 G C 0.998 175.785 174.900 -0.188 0.000 0.977 361 G CA 0.952 45.923 45.100 -0.214 0.000 0.641 361 G HN 0.274 9.040 8.290 0.445 -0.209 0.533 362 S N 2.327 117.943 115.700 -0.140 0.000 2.359 362 S HA -0.364 nan 4.470 nan 0.000 0.224 362 S C 1.597 176.040 174.600 -0.261 0.000 1.035 362 S CA 4.694 62.814 58.200 -0.134 0.000 1.018 362 S CB -0.327 62.840 63.200 -0.054 0.000 0.876 362 S HN -0.444 7.713 8.310 -0.137 0.071 0.448 363 E N -1.429 118.681 120.200 -0.150 0.000 2.396 363 E HA -0.286 nan 4.350 nan 0.000 0.200 363 E C 0.427 176.890 176.600 -0.229 0.000 1.023 363 E CA 2.138 58.424 56.400 -0.191 0.000 0.857 363 E CB -1.204 28.517 29.700 0.036 0.000 0.775 363 E HN 0.490 8.838 8.360 -0.020 0.000 0.525 364 Q N -2.649 117.054 119.800 -0.161 0.000 2.175 364 Q HA 0.064 nan 4.340 nan 0.000 0.225 364 Q C -0.788 175.229 176.000 0.028 0.000 0.837 364 Q CA -2.121 53.670 55.803 -0.020 0.000 1.032 364 Q CB -0.760 27.979 28.738 0.001 0.000 1.137 364 Q HN -0.499 7.483 8.270 -0.150 0.198 0.483 365 Y N -5.013 115.239 120.300 -0.081 0.000 3.225 365 Y HA -0.536 nan 4.550 nan 0.000 0.211 365 Y C -0.416 175.458 175.900 -0.043 0.000 1.223 365 Y CA 0.979 58.972 58.100 -0.178 0.000 1.284 365 Y CB -3.368 34.886 38.460 -0.343 0.000 1.367 365 Y HN -0.339 7.341 8.280 -0.718 0.170 0.566 366 M N -0.766 118.853 119.600 0.031 0.000 2.248 366 M HA -0.247 nan 4.480 nan 0.000 0.345 366 M C -0.730 175.656 176.300 0.143 0.000 1.243 366 M CA 1.860 57.181 55.300 0.036 0.000 1.090 366 M CB 0.454 32.988 32.600 -0.110 0.000 1.683 366 M HN -0.929 7.312 8.290 -0.061 0.012 0.450 367 S N 1.292 117.080 115.700 0.147 0.000 2.726 367 S HA 0.654 nan 4.470 nan 0.000 0.308 367 S C -0.516 174.122 174.600 0.064 0.000 1.115 367 S CA -1.843 56.438 58.200 0.135 0.000 0.965 367 S CB 2.725 65.996 63.200 0.119 0.000 1.145 367 S HN 0.047 8.425 8.310 0.113 0.000 0.532 368 G N -2.023 106.807 108.800 0.049 0.000 2.306 368 G HA2 -0.134 nan 3.960 nan 0.000 0.340 368 G HA3 -0.134 nan 3.960 nan 0.000 0.340 368 G C -1.623 173.300 174.900 0.040 0.000 1.630 368 G CA -0.296 44.823 45.100 0.032 0.000 0.937 368 G HN -0.094 8.225 8.290 0.049 0.000 0.693 369 G N -1.490 107.326 108.800 0.026 0.000 2.481 369 G HA2 -0.060 nan 3.960 nan 0.000 0.251 369 G HA3 -0.060 nan 3.960 nan 0.000 0.251 369 G C -0.991 173.933 174.900 0.040 0.000 1.492 369 G CA -1.483 43.634 45.100 0.028 0.000 1.060 369 G HN 0.107 8.408 8.290 0.017 0.000 0.553 370 N N -0.919 117.800 118.700 0.031 0.000 2.340 370 N HA -0.252 nan 4.740 nan 0.000 0.236 370 N C -0.002 175.525 175.510 0.028 0.000 1.296 370 N CA 0.530 53.599 53.050 0.032 0.000 0.896 370 N CB 0.541 39.036 38.487 0.013 0.000 1.127 370 N HN 0.071 8.464 8.380 0.022 0.000 0.442 371 D N -0.480 119.940 120.400 0.034 0.000 2.772 371 D HA -0.172 nan 4.640 nan 0.000 0.227 371 D C -0.246 176.073 176.300 0.031 0.000 1.114 371 D CA 0.228 54.254 54.000 0.044 0.000 0.832 371 D CB 0.584 41.413 40.800 0.049 0.000 1.154 371 D HN 0.364 8.756 8.370 0.037 0.000 0.514 372 P HA 0.141 nan 4.420 nan 0.000 0.267 372 P C -0.097 177.207 177.300 0.006 0.000 1.289 372 P CA 0.108 63.236 63.100 0.045 0.000 0.866 372 P CB 0.822 32.550 31.700 0.047 0.000 1.309 373 D N 1.274 121.679 120.400 0.008 0.000 2.264 373 D HA -0.269 nan 4.640 nan 0.000 0.208 373 D C 0.852 177.159 176.300 0.012 0.000 0.966 373 D CA 3.177 57.178 54.000 0.002 0.000 0.864 373 D CB -0.752 40.052 40.800 0.007 0.000 0.933 373 D HN 0.342 8.574 8.370 0.015 0.147 0.499 374 N N -1.624 117.099 118.700 0.039 0.000 2.461 374 N HA -0.141 nan 4.740 nan 0.000 0.188 374 N C -0.073 175.474 175.510 0.062 0.000 1.134 374 N CA 0.271 53.372 53.050 0.084 0.000 0.878 374 N CB -0.647 37.935 38.487 0.159 0.000 0.972 374 N HN -0.452 7.935 8.380 0.044 0.020 0.456 375 R N -0.874 119.616 120.500 -0.016 0.000 2.903 375 R HA 0.277 nan 4.340 nan 0.000 0.363 375 R C -1.913 174.378 176.300 -0.015 0.000 1.161 375 R CA -1.554 54.503 56.100 -0.071 0.000 1.109 375 R CB -0.515 29.619 30.300 -0.277 0.000 1.399 375 R HN 0.136 8.212 8.270 -0.017 0.184 0.587 376 A N -1.589 121.224 122.820 -0.012 0.000 2.313 376 A HA 0.129 nan 4.320 nan 0.000 0.261 376 A C -1.234 176.382 177.584 0.053 0.000 1.090 376 A CA -1.670 50.356 52.037 -0.019 0.000 0.807 376 A CB 1.104 20.078 19.000 -0.043 0.000 1.055 376 A HN -0.056 8.069 8.150 -0.042 0.000 0.492 377 R N 0.032 120.546 120.500 0.023 0.000 2.543 377 R HA 0.187 nan 4.340 nan 0.000 0.277 377 R C -0.236 176.085 176.300 0.035 0.000 1.074 377 R CA -0.327 55.813 56.100 0.065 0.000 1.076 377 R CB 0.927 31.230 30.300 0.004 0.000 0.993 377 R HN 0.361 8.617 8.270 -0.022 0.000 0.459 378 L N 5.768 127.034 121.223 0.072 0.000 2.380 378 L HA 0.338 nan 4.340 nan 0.000 0.273 378 L C -1.518 175.191 176.870 -0.270 0.000 1.138 378 L CA -1.630 53.149 54.840 -0.102 0.000 0.832 378 L CB 0.003 42.028 42.059 -0.056 0.000 1.124 378 L HN 0.138 8.477 8.230 0.182 0.000 0.454 379 P HA -0.057 nan 4.420 nan 0.000 0.227 379 P C -1.043 176.125 177.300 -0.220 0.000 1.161 379 P CA 0.682 63.679 63.100 -0.172 0.000 0.788 379 P CB 0.405 32.046 31.700 -0.100 0.000 0.822 380 S N -4.567 110.925 115.700 -0.346 0.000 2.552 380 S HA 0.074 nan 4.470 nan 0.000 0.272 380 S C -1.697 172.601 174.600 -0.504 0.000 1.150 380 S CA -1.050 56.973 58.200 -0.295 0.000 0.849 380 S CB 1.537 64.671 63.200 -0.111 0.000 1.113 380 S HN -0.856 7.144 8.310 -0.445 0.043 0.458 381 F N 2.386 122.231 119.950 -0.176 0.000 2.923 381 F HA 0.211 nan 4.527 nan 0.000 0.314 381 F C -1.364 174.420 175.800 -0.027 0.000 1.196 381 F CA -1.223 56.580 58.000 -0.330 0.000 1.320 381 F CB 0.194 38.830 39.000 -0.606 0.000 0.953 381 F HN 0.179 8.472 8.300 -0.011 0.000 0.505 382 S N 0.904 116.686 115.700 0.136 0.000 2.537 382 S HA -0.114 nan 4.470 nan 0.000 0.286 382 S C 0.595 175.209 174.600 0.024 0.000 1.299 382 S CA 0.579 58.825 58.200 0.077 0.000 1.067 382 S CB 1.293 64.523 63.200 0.049 0.000 0.864 382 S HN -0.699 7.567 8.310 0.059 0.080 0.494 383 T N 7.009 121.444 114.554 -0.199 0.000 3.134 383 T HA 0.126 nan 4.350 nan 0.000 0.260 383 T C -0.148 174.169 174.700 -0.637 0.000 1.027 383 T CA 0.327 61.950 62.100 -0.795 0.000 0.913 383 T CB -0.401 68.209 68.868 -0.430 0.000 1.046 383 T HN 0.231 8.405 8.240 -0.111 0.000 0.553 384 T N -1.548 112.863 114.554 -0.239 0.000 3.170 384 T HA 0.421 nan 4.350 nan 0.000 0.288 384 T C -0.076 174.637 174.700 0.022 0.000 0.992 384 T CA -0.451 61.598 62.100 -0.085 0.000 0.909 384 T CB 0.736 69.573 68.868 -0.050 0.000 1.133 384 T HN -0.458 7.619 8.240 -0.152 0.071 0.530 385 T N -0.353 114.250 114.554 0.082 0.000 2.860 385 T HA 0.071 nan 4.350 nan 0.000 0.299 385 T C 1.605 176.426 174.700 0.202 0.000 1.045 385 T CA -0.687 61.526 62.100 0.188 0.000 1.071 385 T CB 1.640 70.684 68.868 0.294 0.000 0.985 385 T HN -0.542 7.729 8.240 0.051 0.000 0.537 386 T N 3.553 118.240 114.554 0.221 0.000 2.720 386 T HA -0.265 nan 4.350 nan 0.000 0.268 386 T C 1.428 176.219 174.700 0.153 0.000 1.037 386 T CA 4.675 66.878 62.100 0.172 0.000 1.144 386 T CB -0.509 68.461 68.868 0.169 0.000 0.864 386 T HN 0.616 8.999 8.240 0.238 0.000 0.444 387 A N 1.629 124.544 122.820 0.157 0.000 1.930 387 A HA -0.203 nan 4.320 nan 0.000 0.217 387 A C 1.288 178.862 177.584 -0.017 0.000 1.175 387 A CA 2.886 54.900 52.037 -0.038 0.000 0.627 387 A CB -0.959 17.818 19.000 -0.372 0.000 0.815 387 A HN -0.303 8.036 8.150 0.315 0.000 0.443 388 Y N -0.432 119.832 120.300 -0.060 0.000 2.165 388 Y HA -0.539 nan 4.550 nan 0.000 0.286 388 Y C 2.005 177.867 175.900 -0.064 0.000 1.155 388 Y CA 4.093 62.152 58.100 -0.067 0.000 1.164 388 Y CB 0.244 38.682 38.460 -0.038 0.000 0.978 388 Y HN -0.211 8.189 8.280 0.200 0.000 0.513 389 Q N -2.221 117.700 119.800 0.201 0.000 2.079 389 Q HA -0.389 nan 4.340 nan 0.000 0.200 389 Q C 2.403 178.407 176.000 0.006 0.000 0.974 389 Q CA 3.490 59.362 55.803 0.114 0.000 0.840 389 Q CB 0.150 28.953 28.738 0.108 0.000 0.898 389 Q HN -0.255 8.148 8.270 0.232 0.006 0.430 390 V N -1.658 118.246 119.914 -0.017 0.000 2.515 390 V HA -0.267 nan 4.120 nan 0.000 0.250 390 V C 1.389 177.430 176.094 -0.089 0.000 1.058 390 V CA 3.720 65.990 62.300 -0.050 0.000 1.064 390 V CB -0.935 30.858 31.823 -0.050 0.000 0.675 390 V HN -0.058 8.135 8.190 0.005 0.000 0.461 391 I N 0.546 121.038 120.570 -0.130 0.000 2.286 391 I HA -0.534 nan 4.170 nan 0.000 0.245 391 I C 1.565 177.569 176.117 -0.188 0.000 1.104 391 I CA 4.084 65.283 61.300 -0.168 0.000 1.397 391 I CB -0.401 37.466 38.000 -0.222 0.000 1.072 391 I HN -0.597 7.534 8.210 -0.132 0.000 0.417 392 Q N 1.249 120.919 119.800 -0.216 0.000 2.112 392 Q HA -0.347 nan 4.340 nan 0.000 0.206 392 Q C 1.769 177.714 176.000 -0.093 0.000 0.987 392 Q CA 3.444 59.152 55.803 -0.159 0.000 0.858 392 Q CB -0.155 28.537 28.738 -0.076 0.000 0.905 392 Q HN -0.088 8.026 8.270 -0.259 0.000 0.420 393 K N -3.089 117.267 120.400 -0.072 0.000 2.076 393 K HA -0.162 nan 4.320 nan 0.000 0.204 393 K C 1.764 178.319 176.600 -0.075 0.000 1.051 393 K CA 2.727 58.977 56.287 -0.060 0.000 0.949 393 K CB 0.509 32.980 32.500 -0.049 0.000 0.726 393 K HN -0.431 7.777 8.250 -0.071 0.000 0.443 394 L N -3.151 118.020 121.223 -0.087 0.000 2.253 394 L HA 0.065 nan 4.340 nan 0.000 0.205 394 L C 1.771 178.582 176.870 -0.099 0.000 1.078 394 L CA 1.638 56.423 54.840 -0.091 0.000 0.805 394 L CB 0.518 42.523 42.059 -0.090 0.000 0.963 394 L HN -0.389 7.786 8.230 -0.092 0.000 0.459 395 A N -0.351 122.404 122.820 -0.109 0.000 1.948 395 A HA -0.158 nan 4.320 nan 0.000 0.220 395 A C -1.105 176.410 177.584 -0.115 0.000 1.177 395 A CA 4.859 56.828 52.037 -0.113 0.000 0.636 395 A CB -2.607 16.320 19.000 -0.121 0.000 0.815 395 A HN 0.487 8.460 8.150 -0.115 0.107 0.449 396 P HA -0.113 nan 4.420 nan 0.000 0.226 396 P C 0.973 178.209 177.300 -0.107 0.000 1.153 396 P CA 1.998 65.037 63.100 -0.102 0.000 0.777 396 P CB -0.517 31.133 31.700 -0.084 0.000 0.794 397 L N -1.931 119.229 121.223 -0.105 0.000 2.362 397 L HA -0.260 nan 4.340 nan 0.000 0.219 397 L C 2.022 178.807 176.870 -0.141 0.000 1.134 397 L CA 2.124 56.900 54.840 -0.107 0.000 0.807 397 L CB -0.951 41.052 42.059 -0.093 0.000 0.927 397 L HN 0.192 8.209 8.230 -0.101 0.152 0.447 398 R N -1.841 118.561 120.500 -0.162 0.000 2.153 398 R HA -0.173 nan 4.340 nan 0.000 0.218 398 R C 1.188 177.342 176.300 -0.244 0.000 1.072 398 R CA 2.567 58.535 56.100 -0.220 0.000 0.990 398 R CB -0.174 29.999 30.300 -0.212 0.000 0.889 398 R HN -0.570 7.573 8.270 -0.146 0.039 0.452 399 K N -3.156 117.130 120.400 -0.189 0.000 2.211 399 K HA 0.021 nan 4.320 nan 0.000 0.201 399 K C 1.607 178.117 176.600 -0.151 0.000 1.052 399 K CA 1.782 57.963 56.287 -0.177 0.000 0.973 399 K CB 0.567 32.981 32.500 -0.144 0.000 0.766 399 K HN -0.443 7.585 8.250 -0.161 0.126 0.466 400 S N -2.751 112.871 115.700 -0.131 0.000 2.475 400 S HA -0.077 nan 4.470 nan 0.000 0.224 400 S C 0.448 174.987 174.600 -0.102 0.000 1.042 400 S CA 1.980 60.118 58.200 -0.104 0.000 0.935 400 S CB 1.319 64.468 63.200 -0.084 0.000 0.801 400 S HN -0.354 7.877 8.310 -0.133 0.000 0.509 401 N N 3.122 121.752 118.700 -0.117 0.000 2.485 401 N HA 0.468 nan 4.740 nan 0.000 0.243 401 N C -1.493 173.932 175.510 -0.140 0.000 0.987 401 N CA -3.376 49.615 53.050 -0.097 0.000 0.940 401 N CB 1.557 39.998 38.487 -0.078 0.000 1.122 401 N HN -0.341 7.845 8.380 -0.136 0.113 0.509 402 P HA -0.051 nan 4.420 nan 0.000 0.226 402 P C 0.247 177.429 177.300 -0.196 0.000 1.153 402 P CA 1.406 64.391 63.100 -0.191 0.000 0.777 402 P CB 0.346 32.074 31.700 0.047 0.000 0.794 403 A N -0.765 122.064 122.820 0.014 0.000 1.930 403 A HA -0.220 nan 4.320 nan 0.000 0.217 403 A C 2.180 179.748 177.584 -0.026 0.000 1.175 403 A CA 3.165 55.258 52.037 0.093 0.000 0.627 403 A CB -0.719 18.361 19.000 0.134 0.000 0.815 403 A HN 0.276 8.689 8.150 0.037 -0.241 0.443 404 I N -1.665 118.844 120.570 -0.101 0.000 2.286 404 I HA -0.381 nan 4.170 nan 0.000 0.245 404 I C 2.106 178.079 176.117 -0.241 0.000 1.104 404 I CA 1.761 62.986 61.300 -0.124 0.000 1.397 404 I CB -1.101 36.823 38.000 -0.127 0.000 1.072 404 I HN -0.514 7.753 8.210 -0.110 -0.122 0.417 405 A N -0.646 121.914 122.820 -0.433 0.000 1.930 405 A HA -0.214 nan 4.320 nan 0.000 0.217 405 A C 1.484 178.659 177.584 -0.682 0.000 1.175 405 A CA 2.858 54.461 52.037 -0.723 0.000 0.627 405 A CB 0.057 18.308 19.000 -1.249 0.000 0.815 405 A HN -0.492 7.407 8.150 -0.418 0.000 0.443 406 Y N -5.982 114.107 120.300 -0.352 0.000 2.610 406 Y HA 0.113 nan 4.550 nan 0.000 0.254 406 Y C 0.479 176.293 175.900 -0.143 0.000 1.110 406 Y CA -1.187 56.681 58.100 -0.386 0.000 1.238 406 Y CB 2.222 40.135 38.460 -0.912 0.000 1.322 406 Y HN -0.113 7.790 8.280 -0.469 0.096 0.547 407 G N 0.728 109.587 108.800 0.098 0.000 2.537 407 G HA2 0.263 nan 3.960 nan 0.000 0.273 407 G HA3 0.263 nan 3.960 nan 0.000 0.273 407 G C -1.120 173.897 174.900 0.196 0.000 1.189 407 G CA -0.741 44.515 45.100 0.259 0.000 0.881 407 G HN -0.206 8.000 8.290 -0.002 0.082 0.535 408 S N -0.707 115.119 115.700 0.210 0.000 2.608 408 S HA 0.125 nan 4.470 nan 0.000 0.261 408 S C -0.245 174.460 174.600 0.176 0.000 1.314 408 S CA 0.545 58.843 58.200 0.163 0.000 0.992 408 S CB 0.901 64.183 63.200 0.137 0.000 0.935 408 S HN -0.227 8.228 8.310 0.241 0.000 0.564 409 T N 2.085 116.741 114.554 0.170 0.000 2.815 409 T HA 0.314 nan 4.350 nan 0.000 0.289 409 T C -1.646 173.211 174.700 0.263 0.000 1.000 409 T CA -0.129 62.098 62.100 0.211 0.000 0.958 409 T CB 1.293 70.236 68.868 0.125 0.000 0.944 409 T HN -0.054 8.548 8.240 0.145 -0.274 0.442 410 H N 6.571 125.753 119.070 0.187 0.000 2.539 410 H HA 0.268 nan 4.556 nan 0.000 0.332 410 H C -1.618 173.832 175.328 0.204 0.000 1.031 410 H CA -1.748 54.399 56.048 0.165 0.000 1.206 410 H CB 2.537 32.385 29.762 0.144 0.000 1.446 410 H HN 0.914 9.429 8.280 0.391 0.000 0.496 411 E N 8.025 128.373 120.200 0.247 0.000 2.217 411 E HA -0.110 nan 4.350 nan 0.000 0.279 411 E C -0.496 176.081 176.600 -0.038 0.000 1.068 411 E CA -0.151 56.336 56.400 0.146 0.000 0.882 411 E CB -0.012 29.774 29.700 0.144 0.000 1.039 411 E HN 0.567 9.117 8.360 0.317 0.000 0.418 412 R N 5.520 126.006 120.500 -0.023 0.000 2.189 412 R HA 0.215 nan 4.340 nan 0.000 0.203 412 R C -0.289 176.102 176.300 0.153 0.000 1.012 412 R CA -0.046 56.029 56.100 -0.042 0.000 1.015 412 R CB 1.277 31.577 30.300 0.000 0.000 0.938 412 R HN 0.450 8.777 8.270 0.095 0.000 0.472 413 W N -2.591 118.711 121.300 0.004 0.000 3.213 413 W HA 0.109 nan 4.660 nan 0.000 0.318 413 W C -2.407 174.107 176.519 -0.008 0.000 1.248 413 W CA 0.324 57.669 57.345 0.001 0.000 1.187 413 W CB 2.854 32.313 29.460 -0.002 0.000 1.403 413 W HN -0.527 7.804 8.180 0.253 0.000 0.556 414 I N 2.755 123.149 120.570 -0.294 0.000 2.947 414 I HA 0.437 nan 4.170 nan 0.000 0.301 414 I C -2.860 172.950 176.117 -0.511 0.000 1.453 414 I CA -0.950 60.202 61.300 -0.246 0.000 0.984 414 I CB 3.676 41.482 38.000 -0.322 0.000 1.333 414 I HN 0.002 7.573 8.210 -1.065 0.000 0.475 415 N N 3.912 122.433 118.700 -0.299 0.000 3.378 415 N HA 0.106 nan 4.740 nan 0.000 0.294 415 N C -0.889 174.504 175.510 -0.195 0.000 1.544 415 N CA -0.486 52.449 53.050 -0.193 0.000 0.872 415 N CB 0.621 39.094 38.487 -0.024 0.000 1.670 415 N HN 0.370 8.619 8.380 -0.219 0.000 0.551 416 N N -1.849 116.834 118.700 -0.028 0.000 2.258 416 N HA -0.294 nan 4.740 nan 0.000 0.187 416 N C 0.352 175.820 175.510 -0.070 0.000 1.012 416 N CA 2.919 55.955 53.050 -0.023 0.000 0.870 416 N CB -0.263 38.249 38.487 0.041 0.000 0.977 416 N HN 0.447 8.861 8.380 0.057 0.000 0.434 417 D N -3.517 116.864 120.400 -0.032 0.000 2.520 417 D HA 0.271 nan 4.640 nan 0.000 0.223 417 D C -1.685 174.624 176.300 0.016 0.000 1.186 417 D CA 0.710 54.697 54.000 -0.021 0.000 0.821 417 D CB 2.578 43.389 40.800 0.018 0.000 1.072 417 D HN 0.072 8.751 8.370 0.001 -0.309 0.518 418 V N -0.976 118.972 119.914 0.056 0.000 2.709 418 V HA 0.689 nan 4.120 nan 0.000 0.308 418 V C -2.169 174.010 176.094 0.141 0.000 1.062 418 V CA -1.191 61.195 62.300 0.144 0.000 0.901 418 V CB 3.505 35.493 31.823 0.274 0.000 1.003 418 V HN -0.264 8.060 8.190 0.024 -0.120 0.425 419 I N 5.443 126.118 120.570 0.174 0.000 2.569 419 I HA 0.826 nan 4.170 nan 0.000 0.290 419 I C -2.838 173.460 176.117 0.301 0.000 1.088 419 I CA -1.998 59.429 61.300 0.211 0.000 1.047 419 I CB 3.850 41.950 38.000 0.167 0.000 1.237 419 I HN -0.186 8.134 8.210 0.184 0.000 0.421 420 I N 5.947 126.710 120.570 0.322 0.000 2.465 420 I HA 0.978 nan 4.170 nan 0.000 0.291 420 I C -2.870 173.413 176.117 0.277 0.000 1.014 420 I CA -2.257 59.196 61.300 0.256 0.000 1.093 420 I CB 2.760 40.923 38.000 0.272 0.000 1.267 420 I HN 0.618 9.029 8.210 0.336 0.000 0.431 421 Y N 3.490 123.903 120.300 0.189 0.000 2.570 421 Y HA 0.828 nan 4.550 nan 0.000 0.345 421 Y C -2.746 173.245 175.900 0.151 0.000 1.014 421 Y CA -3.279 54.917 58.100 0.160 0.000 1.063 421 Y CB 3.139 41.712 38.460 0.188 0.000 1.272 421 Y HN 0.827 8.986 8.280 -0.202 0.000 0.477 422 E N -0.366 120.010 120.200 0.293 0.000 2.210 422 E HA 0.588 nan 4.350 nan 0.000 0.266 422 E C -1.356 175.413 176.600 0.281 0.000 0.883 422 E CA -2.247 54.280 56.400 0.212 0.000 0.761 422 E CB 3.344 33.151 29.700 0.178 0.000 1.156 422 E HN 0.559 9.138 8.360 0.366 0.000 0.412 423 R N 5.102 125.737 120.500 0.224 0.000 2.460 423 R HA 0.676 nan 4.340 nan 0.000 0.303 423 R C -1.835 174.578 176.300 0.188 0.000 0.968 423 R CA -2.074 54.154 56.100 0.214 0.000 0.889 423 R CB 2.251 32.654 30.300 0.171 0.000 1.123 423 R HN 0.770 9.137 8.270 0.162 0.000 0.455 424 K N 3.054 123.578 120.400 0.207 0.000 2.507 424 K HA 0.484 nan 4.320 nan 0.000 0.251 424 K C -2.380 174.388 176.600 0.280 0.000 0.943 424 K CA -0.586 55.826 56.287 0.207 0.000 0.794 424 K CB 3.817 36.422 32.500 0.174 0.000 1.188 424 K HN -0.047 8.331 8.250 0.214 0.000 0.428 425 F N 7.107 127.109 119.950 0.086 0.000 2.902 425 F HA 0.177 nan 4.527 nan 0.000 0.368 425 F C -0.853 174.985 175.800 0.063 0.000 1.202 425 F CA -1.066 56.985 58.000 0.084 0.000 1.109 425 F CB 1.659 40.727 39.000 0.113 0.000 1.418 425 F HN 0.585 9.055 8.300 0.284 0.000 0.527 426 G N 7.917 116.584 108.800 -0.222 0.000 2.559 426 G HA2 -0.517 nan 3.960 nan 0.000 0.282 426 G HA3 -0.517 nan 3.960 nan 0.000 0.282 426 G C -0.164 174.722 174.900 -0.022 0.000 1.177 426 G CA 1.352 46.330 45.100 -0.202 0.000 0.960 426 G HN 0.179 8.375 8.290 -0.156 0.000 0.540 427 N N 5.314 124.029 118.700 0.025 0.000 2.236 427 N HA 0.103 nan 4.740 nan 0.000 0.196 427 N C -0.962 174.651 175.510 0.171 0.000 1.114 427 N CA -0.542 52.572 53.050 0.107 0.000 0.859 427 N CB 0.723 39.284 38.487 0.124 0.000 0.982 427 N HN 0.153 8.533 8.380 -0.001 0.000 0.493 428 N N -0.146 118.638 118.700 0.140 0.000 2.518 428 N HA 0.125 nan 4.740 nan 0.000 0.283 428 N C -2.231 173.378 175.510 0.166 0.000 1.119 428 N CA 0.734 53.865 53.050 0.135 0.000 0.983 428 N CB 2.031 40.598 38.487 0.132 0.000 1.139 428 N HN -0.583 7.702 8.380 0.130 0.174 0.465 429 V N 0.492 120.496 119.914 0.151 0.000 3.087 429 V HA 0.889 nan 4.120 nan 0.000 0.306 429 V C -2.882 173.259 176.094 0.079 0.000 1.187 429 V CA -2.162 60.214 62.300 0.126 0.000 0.999 429 V CB 4.558 36.454 31.823 0.121 0.000 1.049 429 V HN 0.220 8.496 8.190 0.142 0.000 0.431 430 A N 4.973 127.834 122.820 0.068 0.000 2.435 430 A HA 0.965 nan 4.320 nan 0.000 0.304 430 A C -2.607 174.996 177.584 0.032 0.000 1.064 430 A CA -1.832 50.224 52.037 0.032 0.000 0.727 430 A CB 3.698 22.704 19.000 0.010 0.000 1.284 430 A HN 0.279 8.485 8.150 0.093 0.000 0.415 431 V N 1.609 121.543 119.914 0.033 0.000 2.656 431 V HA 0.771 nan 4.120 nan 0.000 0.307 431 V C -1.998 174.060 176.094 -0.060 0.000 1.051 431 V CA -0.742 61.590 62.300 0.053 0.000 0.893 431 V CB 3.420 35.367 31.823 0.206 0.000 0.999 431 V HN 0.496 8.715 8.190 0.049 0.000 0.426 432 V N 5.285 125.014 119.914 -0.308 0.000 2.808 432 V HA 0.978 nan 4.120 nan 0.000 0.308 432 V C -2.954 172.956 176.094 -0.306 0.000 1.099 432 V CA -2.568 59.469 62.300 -0.437 0.000 0.920 432 V CB 4.506 35.989 31.823 -0.566 0.000 1.014 432 V HN 0.903 8.857 8.190 -0.393 0.000 0.425 433 A N 6.930 129.640 122.820 -0.184 0.000 2.365 433 A HA 1.174 nan 4.320 nan 0.000 0.318 433 A C -2.857 174.742 177.584 0.023 0.000 1.091 433 A CA -2.399 49.662 52.037 0.041 0.000 0.763 433 A CB 2.966 22.117 19.000 0.252 0.000 1.248 433 A HN 0.598 8.526 8.150 -0.370 0.000 0.442 434 I N -1.208 119.437 120.570 0.126 0.000 2.722 434 I HA 0.672 nan 4.170 nan 0.000 0.295 434 I C -3.094 173.113 176.117 0.151 0.000 1.161 434 I CA -1.072 60.312 61.300 0.140 0.000 1.032 434 I CB 4.231 42.363 38.000 0.219 0.000 1.244 434 I HN 0.062 8.374 8.210 0.169 0.000 0.421 435 N N 5.358 124.134 118.700 0.127 0.000 2.564 435 N HA 0.431 nan 4.740 nan 0.000 0.248 435 N C 0.259 175.838 175.510 0.115 0.000 0.986 435 N CA -1.481 51.633 53.050 0.107 0.000 0.921 435 N CB 1.897 40.434 38.487 0.084 0.000 1.136 435 N HN 0.501 8.950 8.380 0.117 0.000 0.509 436 R N 3.286 123.853 120.500 0.111 0.000 2.357 436 R HA -0.250 nan 4.340 nan 0.000 0.202 436 R C -0.629 175.721 176.300 0.083 0.000 1.047 436 R CA 1.270 57.445 56.100 0.125 0.000 1.034 436 R CB -0.157 30.174 30.300 0.052 0.000 0.875 436 R HN -0.016 8.302 8.270 0.080 0.000 0.473 437 N N -0.845 117.893 118.700 0.063 0.000 2.472 437 N HA -0.033 nan 4.740 nan 0.000 0.277 437 N C -0.525 175.019 175.510 0.057 0.000 1.081 437 N CA -0.013 53.068 53.050 0.051 0.000 0.973 437 N CB 1.270 39.782 38.487 0.042 0.000 1.105 437 N HN -0.329 8.017 8.380 0.066 0.074 0.470 438 M N 3.576 123.208 119.600 0.054 0.000 2.382 438 M HA 0.106 nan 4.480 nan 0.000 0.247 438 M C 0.485 176.810 176.300 0.042 0.000 1.104 438 M CA 0.527 55.859 55.300 0.053 0.000 1.030 438 M CB -0.422 32.213 32.600 0.058 0.000 1.424 438 M HN 0.512 8.832 8.290 0.049 0.000 0.486 439 N N -1.555 117.167 118.700 0.037 0.000 2.499 439 N HA 0.021 nan 4.740 nan 0.000 0.182 439 N C 0.201 175.729 175.510 0.031 0.000 1.034 439 N CA 0.758 53.826 53.050 0.031 0.000 0.882 439 N CB 1.581 40.084 38.487 0.026 0.000 1.125 439 N HN 0.140 8.867 8.380 0.037 -0.325 0.436 440 T N 3.971 118.545 114.554 0.033 0.000 2.733 440 T HA 0.434 nan 4.350 nan 0.000 0.294 440 T C -2.359 172.363 174.700 0.036 0.000 0.956 440 T CA -1.878 60.241 62.100 0.032 0.000 0.987 440 T CB -0.043 68.844 68.868 0.033 0.000 0.920 440 T HN -0.194 8.460 8.240 0.035 -0.393 0.470 441 P HA -0.066 nan 4.420 nan 0.000 0.269 441 P C -2.034 175.276 177.300 0.017 0.000 1.211 441 P CA -0.171 62.946 63.100 0.028 0.000 0.781 441 P CB 0.672 32.388 31.700 0.026 0.000 0.877 442 A N 2.227 125.042 122.820 -0.007 0.000 2.304 442 A HA 0.351 nan 4.320 nan 0.000 0.314 442 A C -1.098 176.391 177.584 -0.157 0.000 1.187 442 A CA -1.387 50.620 52.037 -0.050 0.000 0.810 442 A CB 2.415 21.382 19.000 -0.055 0.000 1.183 442 A HN 0.500 8.545 8.150 0.000 0.105 0.487 443 S N 3.924 119.546 115.700 -0.129 0.000 2.423 443 S HA 0.128 nan 4.470 nan 0.000 0.302 443 S C -0.399 173.968 174.600 -0.389 0.000 1.143 443 S CA -1.046 57.039 58.200 -0.192 0.000 1.080 443 S CB -0.108 63.053 63.200 -0.065 0.000 1.081 443 S HN 0.482 8.766 8.310 -0.043 0.000 0.522 444 I N 9.631 129.757 120.570 -0.739 0.000 2.337 444 I HA 0.093 nan 4.170 nan 0.000 0.291 444 I C -1.283 174.454 176.117 -0.634 0.000 1.046 444 I CA -1.317 59.284 61.300 -1.165 0.000 1.324 444 I CB -1.116 35.829 38.000 -1.759 0.000 1.409 444 I HN 0.427 8.200 8.210 -0.729 0.000 0.494 445 T N 2.073 116.468 114.554 -0.264 0.000 2.841 445 T HA 0.467 nan 4.350 nan 0.000 0.285 445 T C 0.273 175.029 174.700 0.094 0.000 0.991 445 T CA -1.800 60.267 62.100 -0.055 0.000 0.966 445 T CB 2.117 71.008 68.868 0.038 0.000 0.962 445 T HN 0.309 8.500 8.240 -0.083 0.000 0.438 446 G N 4.080 112.916 108.800 0.059 0.000 2.140 446 G HA2 -0.387 nan 3.960 nan 0.000 0.211 446 G HA3 -0.387 nan 3.960 nan 0.000 0.211 446 G C -1.486 173.511 174.900 0.162 0.000 1.013 446 G CA 0.361 45.535 45.100 0.122 0.000 0.705 446 G HN 0.151 8.563 8.290 0.000 -0.122 0.508 447 L N 1.463 122.742 121.223 0.094 0.000 2.360 447 L HA 0.188 nan 4.340 nan 0.000 0.276 447 L C -1.533 175.388 176.870 0.086 0.000 1.121 447 L CA 0.513 55.424 54.840 0.119 0.000 0.845 447 L CB 1.051 43.129 42.059 0.032 0.000 1.143 447 L HN -0.457 7.779 8.230 0.009 0.000 0.452 448 V N 0.900 120.865 119.914 0.085 0.000 2.769 448 V HA 0.782 nan 4.120 nan 0.000 0.312 448 V C -1.662 174.459 176.094 0.046 0.000 1.061 448 V CA -2.447 59.886 62.300 0.055 0.000 0.931 448 V CB 3.623 35.480 31.823 0.057 0.000 1.010 448 V HN -0.027 8.226 8.190 0.105 0.000 0.433 449 T N -1.347 113.226 114.554 0.032 0.000 2.696 449 T HA 0.486 nan 4.350 nan 0.000 0.291 449 T C -0.376 174.345 174.700 0.035 0.000 1.095 449 T CA -1.319 60.800 62.100 0.032 0.000 1.026 449 T CB 2.618 71.486 68.868 0.000 0.000 1.390 449 T HN 0.068 8.203 8.240 0.024 0.119 0.513 450 S N -0.872 114.854 115.700 0.043 0.000 2.597 450 S HA 0.253 nan 4.470 nan 0.000 0.224 450 S C -0.057 174.538 174.600 -0.008 0.000 0.955 450 S CA 0.231 58.456 58.200 0.041 0.000 0.933 450 S CB 0.269 63.518 63.200 0.082 0.000 0.788 450 S HN 0.290 8.957 8.310 0.051 -0.326 0.488 451 L N 4.345 125.534 121.223 -0.057 0.000 2.416 451 L HA 0.118 nan 4.340 nan 0.000 0.272 451 L C -1.637 175.169 176.870 -0.107 0.000 1.161 451 L CA -1.729 53.023 54.840 -0.145 0.000 0.845 451 L CB -0.398 41.498 42.059 -0.272 0.000 1.119 451 L HN -0.801 7.312 8.230 -0.046 0.089 0.464 452 P HA 0.017 nan 4.420 nan 0.000 0.271 452 P C -1.575 175.708 177.300 -0.029 0.000 1.244 452 P CA -0.753 62.248 63.100 -0.165 0.000 0.793 452 P CB 0.600 32.092 31.700 -0.348 0.000 0.984 453 R N -0.451 120.020 120.500 -0.049 0.000 2.583 453 R HA -0.315 nan 4.340 nan 0.000 0.274 453 R C -0.282 175.951 176.300 -0.111 0.000 0.998 453 R CA 1.360 57.432 56.100 -0.046 0.000 1.081 453 R CB 0.217 30.483 30.300 -0.056 0.000 0.940 453 R HN 0.136 8.368 8.270 -0.065 0.000 0.413 454 G N 4.019 112.711 108.800 -0.181 0.000 2.313 454 G HA2 -0.072 nan 3.960 nan 0.000 0.296 454 G HA3 -0.072 nan 3.960 nan 0.000 0.296 454 G C -3.111 171.505 174.900 -0.473 0.000 1.356 454 G CA -0.192 44.648 45.100 -0.434 0.000 0.833 454 G HN 0.331 8.556 8.290 -0.109 0.000 0.552 455 S N 0.858 116.238 115.700 -0.533 0.000 2.532 455 S HA 0.538 nan 4.470 nan 0.000 0.256 455 S C -1.372 173.014 174.600 -0.356 0.000 1.298 455 S CA -0.348 57.646 58.200 -0.343 0.000 1.166 455 S CB 0.654 63.736 63.200 -0.197 0.000 1.022 455 S HN 0.092 8.076 8.310 -0.543 0.000 0.480 456 Y N 4.890 125.134 120.300 -0.093 0.000 2.436 456 Y HA -0.143 nan 4.550 nan 0.000 0.336 456 Y C -0.874 175.087 175.900 0.103 0.000 1.049 456 Y CA 0.081 58.185 58.100 0.006 0.000 1.294 456 Y CB 0.458 38.910 38.460 -0.014 0.000 1.179 456 Y HN 0.772 8.969 8.280 -0.138 0.000 0.520 457 N N 5.304 124.162 118.700 0.263 0.000 2.488 457 N HA -0.060 nan 4.740 nan 0.000 0.274 457 N C -1.531 174.153 175.510 0.290 0.000 1.111 457 N CA -0.137 53.050 53.050 0.227 0.000 0.974 457 N CB 1.029 39.585 38.487 0.115 0.000 1.089 457 N HN 0.268 8.779 8.380 0.217 0.000 0.465 458 D N 1.980 122.521 120.400 0.235 0.000 2.451 458 D HA -0.157 nan 4.640 nan 0.000 0.254 458 D C 1.374 177.649 176.300 -0.043 0.000 1.204 458 D CA 0.857 54.840 54.000 -0.029 0.000 0.896 458 D CB 0.460 41.201 40.800 -0.098 0.000 1.136 458 D HN -0.105 8.425 8.370 0.266 0.000 0.499 459 V N 6.920 126.784 119.914 -0.083 0.000 2.469 459 V HA -0.360 nan 4.120 nan 0.000 0.251 459 V C 0.596 176.646 176.094 -0.074 0.000 1.064 459 V CA 3.029 65.293 62.300 -0.059 0.000 1.066 459 V CB -0.402 31.377 31.823 -0.073 0.000 0.667 459 V HN 0.370 8.487 8.190 -0.122 0.000 0.461 460 L N -4.720 116.434 121.223 -0.115 0.000 2.622 460 L HA -0.045 nan 4.340 nan 0.000 0.233 460 L C 0.977 177.817 176.870 -0.051 0.000 1.156 460 L CA -0.037 54.751 54.840 -0.087 0.000 0.866 460 L CB -0.339 41.652 42.059 -0.112 0.000 0.980 460 L HN -0.416 7.928 8.230 -0.174 -0.218 0.448 461 G N -2.230 106.548 108.800 -0.036 0.000 2.283 461 G HA2 -0.377 nan 3.960 nan 0.000 0.280 461 G HA3 -0.377 nan 3.960 nan 0.000 0.280 461 G C 0.526 175.420 174.900 -0.010 0.000 1.029 461 G CA 0.455 45.547 45.100 -0.013 0.000 0.840 461 G HN 0.047 8.129 8.290 -0.039 0.185 0.505 462 G N -2.242 106.546 108.800 -0.020 0.000 2.168 462 G HA2 -0.399 nan 3.960 nan 0.000 0.263 462 G HA3 -0.399 nan 3.960 nan 0.000 0.263 462 G C 0.928 175.823 174.900 -0.009 0.000 0.977 462 G CA 0.619 45.712 45.100 -0.011 0.000 0.659 462 G HN -0.160 8.342 8.290 -0.037 -0.234 0.533 463 I N -4.582 115.980 120.570 -0.012 0.000 2.756 463 I HA -0.283 nan 4.170 nan 0.000 0.262 463 I C -0.577 175.541 176.117 0.002 0.000 1.225 463 I CA 2.468 63.768 61.300 0.001 0.000 1.472 463 I CB -0.080 37.925 38.000 0.008 0.000 1.094 463 I HN -0.334 7.820 8.210 -0.018 0.046 0.454 464 L N -1.605 119.610 121.223 -0.013 0.000 3.154 464 L HA 0.220 nan 4.340 nan 0.000 0.266 464 L C -1.347 175.521 176.870 -0.004 0.000 1.300 464 L CA -1.325 53.512 54.840 -0.006 0.000 1.028 464 L CB -0.834 41.213 42.059 -0.020 0.000 1.412 464 L HN -0.494 7.694 8.230 -0.030 0.024 0.564 465 N N -2.086 116.616 118.700 0.003 0.000 2.725 465 N HA -0.449 nan 4.740 nan 0.000 0.249 465 N C -0.586 174.931 175.510 0.012 0.000 1.103 465 N CA 1.307 54.366 53.050 0.014 0.000 0.707 465 N CB -1.739 36.766 38.487 0.029 0.000 1.043 465 N HN -0.197 8.105 8.380 0.004 0.081 0.553 466 G N -3.695 105.091 108.800 -0.024 0.000 2.621 466 G HA2 -0.061 nan 3.960 nan 0.000 0.271 466 G HA3 -0.061 nan 3.960 nan 0.000 0.271 466 G C -1.648 173.265 174.900 0.022 0.000 1.236 466 G CA -0.798 44.272 45.100 -0.050 0.000 0.958 466 G HN -0.041 8.201 8.290 -0.035 0.027 0.512 467 N N -4.967 113.792 118.700 0.098 0.000 3.204 467 N HA 0.026 nan 4.740 nan 0.000 0.285 467 N C -1.447 174.231 175.510 0.280 0.000 1.536 467 N CA -0.791 52.339 53.050 0.134 0.000 0.832 467 N CB 1.400 39.930 38.487 0.071 0.000 1.645 467 N HN -0.184 8.263 8.380 0.112 0.000 0.586 468 T N -0.342 114.285 114.554 0.120 0.000 2.913 468 T HA 0.307 nan 4.350 nan 0.000 0.287 468 T C -0.881 173.677 174.700 -0.235 0.000 1.008 468 T CA 0.675 62.822 62.100 0.078 0.000 1.067 468 T CB 0.576 69.446 68.868 0.004 0.000 0.996 468 T HN 0.045 8.310 8.240 0.041 0.000 0.513 469 L N 5.213 126.139 121.223 -0.495 0.000 2.305 469 L HA 0.334 nan 4.340 nan 0.000 0.284 469 L C -1.814 174.842 176.870 -0.357 0.000 1.013 469 L CA -1.196 53.149 54.840 -0.825 0.000 0.819 469 L CB 3.074 44.200 42.059 -1.555 0.000 1.227 469 L HN 0.869 8.812 8.230 -0.293 0.112 0.417 470 T N 8.185 122.571 114.554 -0.279 0.000 2.801 470 T HA 0.298 nan 4.350 nan 0.000 0.306 470 T C -1.684 172.949 174.700 -0.111 0.000 1.020 470 T CA -0.065 61.940 62.100 -0.158 0.000 0.948 470 T CB 0.141 68.935 68.868 -0.123 0.000 0.962 470 T HN 0.322 8.368 8.240 -0.324 0.000 0.465 471 V N 8.783 128.662 119.914 -0.058 0.000 2.350 471 V HA 0.712 nan 4.120 nan 0.000 0.276 471 V C -0.526 175.552 176.094 -0.026 0.000 1.028 471 V CA -1.303 60.989 62.300 -0.013 0.000 0.860 471 V CB 0.766 32.648 31.823 0.099 0.000 0.990 471 V HN 0.863 9.016 8.190 -0.062 0.000 0.453 472 G N 5.966 114.751 108.800 -0.025 0.000 2.829 472 G HA2 0.198 nan 3.960 nan 0.000 0.173 472 G HA3 0.198 nan 3.960 nan 0.000 0.173 472 G C -2.150 172.738 174.900 -0.019 0.000 1.476 472 G CA -1.046 44.039 45.100 -0.026 0.000 1.072 472 G HN 0.813 9.090 8.290 -0.022 0.000 0.577 473 A N -0.870 121.941 122.820 -0.014 0.000 2.492 473 A HA 0.038 nan 4.320 nan 0.000 0.254 473 A C 0.803 178.385 177.584 -0.003 0.000 1.091 473 A CA 0.957 52.987 52.037 -0.010 0.000 0.768 473 A CB -0.586 18.410 19.000 -0.007 0.000 1.028 473 A HN 0.018 8.160 8.150 -0.014 0.000 0.498 474 G N 2.438 111.236 108.800 -0.003 0.000 2.246 474 G HA2 -0.334 nan 3.960 nan 0.000 0.273 474 G HA3 -0.334 nan 3.960 nan 0.000 0.273 474 G C 0.434 175.338 174.900 0.007 0.000 1.055 474 G CA 0.041 45.143 45.100 0.004 0.000 0.851 474 G HN 0.681 8.966 8.290 -0.008 0.000 0.500 475 G N -3.604 105.196 108.800 -0.001 0.000 2.196 475 G HA2 -0.535 nan 3.960 nan 0.000 0.268 475 G HA3 -0.535 nan 3.960 nan 0.000 0.268 475 G C -0.495 174.408 174.900 0.004 0.000 0.975 475 G CA 0.197 45.297 45.100 -0.000 0.000 0.648 475 G HN -0.112 8.174 8.290 -0.008 0.000 0.538 476 A N 0.707 123.531 122.820 0.007 0.000 2.488 476 A HA 0.261 nan 4.320 nan 0.000 0.249 476 A C -1.701 175.882 177.584 -0.001 0.000 1.083 476 A CA -0.454 51.590 52.037 0.012 0.000 0.768 476 A CB 0.579 19.587 19.000 0.014 0.000 1.017 476 A HN -0.803 7.257 8.150 0.007 0.094 0.496 477 A N 3.275 126.096 122.820 0.001 0.000 2.325 477 A HA 0.750 nan 4.320 nan 0.000 0.333 477 A C -0.832 176.759 177.584 0.012 0.000 1.155 477 A CA -1.825 50.202 52.037 -0.016 0.000 0.814 477 A CB 1.579 20.557 19.000 -0.036 0.000 1.206 477 A HN 0.168 8.328 8.150 0.016 0.000 0.482 478 S N 2.082 117.784 115.700 0.002 0.000 2.533 478 S HA -0.159 nan 4.470 nan 0.000 0.282 478 S C 0.149 174.812 174.600 0.104 0.000 1.304 478 S CA 0.442 58.657 58.200 0.026 0.000 1.063 478 S CB 0.234 63.434 63.200 0.001 0.000 0.881 478 S HN 0.243 8.533 8.310 -0.033 0.000 0.493 479 N N 3.328 122.063 118.700 0.059 0.000 2.294 479 N HA -0.089 nan 4.740 nan 0.000 0.248 479 N C -0.987 174.608 175.510 0.141 0.000 1.242 479 N CA 1.177 54.238 53.050 0.018 0.000 0.848 479 N CB 0.209 38.673 38.487 -0.039 0.000 1.084 479 N HN 0.308 8.702 8.380 0.024 0.000 0.457 480 F N -1.969 117.913 119.950 -0.113 0.000 2.685 480 F HA 0.385 nan 4.527 nan 0.000 0.315 480 F C -1.832 173.915 175.800 -0.088 0.000 1.126 480 F CA -1.524 56.426 58.000 -0.084 0.000 0.950 480 F CB 2.546 41.502 39.000 -0.074 0.000 1.360 480 F HN -0.170 7.859 8.300 -0.451 0.000 0.469 481 T N 1.560 116.197 114.554 0.138 0.000 2.758 481 T HA 0.398 nan 4.350 nan 0.000 0.285 481 T C -1.482 173.312 174.700 0.157 0.000 0.981 481 T CA -0.165 61.949 62.100 0.023 0.000 0.965 481 T CB 0.678 69.566 68.868 0.033 0.000 0.927 481 T HN 0.079 8.464 8.240 0.240 0.000 0.448 482 L N 7.103 128.372 121.223 0.078 0.000 2.290 482 L HA 0.202 nan 4.340 nan 0.000 0.284 482 L C -1.333 175.596 176.870 0.098 0.000 1.078 482 L CA -1.917 53.026 54.840 0.172 0.000 0.815 482 L CB 2.021 44.152 42.059 0.120 0.000 1.162 482 L HN 0.859 8.934 8.230 -0.083 0.105 0.435 483 A N 7.601 130.483 122.820 0.103 0.000 2.483 483 A HA 0.099 nan 4.320 nan 0.000 0.238 483 A C -2.064 175.557 177.584 0.061 0.000 1.070 483 A CA -2.096 49.983 52.037 0.070 0.000 0.770 483 A CB -1.032 18.006 19.000 0.063 0.000 1.008 483 A HN 0.434 8.660 8.150 0.128 0.000 0.497 484 P HA -0.263 nan 4.420 nan 0.000 0.261 484 P C 0.018 177.352 177.300 0.056 0.000 1.183 484 P CA 0.985 64.116 63.100 0.051 0.000 0.761 484 P CB -0.478 31.248 31.700 0.043 0.000 0.785 485 G N 4.115 112.955 108.800 0.066 0.000 2.184 485 G HA2 -0.395 nan 3.960 nan 0.000 0.264 485 G HA3 -0.395 nan 3.960 nan 0.000 0.264 485 G C 0.475 175.414 174.900 0.066 0.000 0.975 485 G CA 0.116 45.260 45.100 0.073 0.000 0.642 485 G HN 0.445 8.777 8.290 0.070 0.000 0.536 486 G N 0.910 109.748 108.800 0.063 0.000 2.483 486 G HA2 0.071 nan 3.960 nan 0.000 0.248 486 G HA3 0.071 nan 3.960 nan 0.000 0.248 486 G C -2.500 172.422 174.900 0.036 0.000 1.248 486 G CA 0.198 45.328 45.100 0.050 0.000 0.838 486 G HN -0.008 8.197 8.290 0.069 0.126 0.566 487 T N 3.818 118.362 114.554 -0.018 0.000 3.032 487 T HA 0.593 nan 4.350 nan 0.000 0.312 487 T C -2.508 172.072 174.700 -0.200 0.000 1.078 487 T CA -0.159 61.897 62.100 -0.074 0.000 1.028 487 T CB 2.662 71.502 68.868 -0.048 0.000 1.091 487 T HN 0.062 8.286 8.240 -0.027 0.000 0.457 488 A N 4.035 126.619 122.820 -0.393 0.000 2.515 488 A HA 0.766 nan 4.320 nan 0.000 0.298 488 A C -3.052 173.949 177.584 -0.971 0.000 1.059 488 A CA -1.336 50.255 52.037 -0.744 0.000 0.698 488 A CB 3.595 21.935 19.000 -1.101 0.000 1.289 488 A HN 0.648 8.581 8.150 -0.362 0.000 0.404 489 V N 0.121 119.487 119.914 -0.913 0.000 2.577 489 V HA 0.746 nan 4.120 nan 0.000 0.303 489 V C -1.971 173.772 176.094 -0.586 0.000 1.042 489 V CA -0.682 61.248 62.300 -0.615 0.000 0.872 489 V CB 2.681 34.314 31.823 -0.317 0.000 0.998 489 V HN -0.063 7.858 8.190 -0.854 -0.243 0.423 490 W N 6.215 127.457 121.300 -0.097 0.000 2.702 490 W HA 0.532 nan 4.660 nan 0.000 0.331 490 W C -2.141 174.290 176.519 -0.147 0.000 1.049 490 W CA -1.405 55.879 57.345 -0.102 0.000 1.230 490 W CB 3.163 32.539 29.460 -0.141 0.000 1.408 490 W HN 1.147 9.305 8.180 -0.038 0.000 0.492 491 Q N -0.767 119.082 119.800 0.081 0.000 2.511 491 Q HA 0.668 nan 4.340 nan 0.000 0.289 491 Q C -2.632 173.418 176.000 0.083 0.000 1.021 491 Q CA -1.255 54.564 55.803 0.026 0.000 0.785 491 Q CB 3.803 32.560 28.738 0.031 0.000 1.472 491 Q HN 0.123 8.497 8.270 0.174 0.000 0.411 492 Y N -0.007 120.266 120.300 -0.044 0.000 2.441 492 Y HA 0.179 nan 4.550 nan 0.000 0.334 492 Y C -2.786 173.139 175.900 0.042 0.000 1.061 492 Y CA -0.413 57.706 58.100 0.033 0.000 1.032 492 Y CB 4.290 42.749 38.460 -0.002 0.000 1.266 492 Y HN 0.264 8.600 8.280 0.093 0.000 0.441 493 T N 3.059 117.187 114.554 -0.711 0.000 2.876 493 T HA 0.695 nan 4.350 nan 0.000 0.289 493 T C -1.534 172.823 174.700 -0.573 0.000 1.014 493 T CA -1.842 59.980 62.100 -0.463 0.000 0.986 493 T CB 2.473 71.210 68.868 -0.218 0.000 1.021 493 T HN -0.161 7.594 8.240 -0.808 0.000 0.458 494 T N 2.936 117.319 114.554 -0.285 0.000 2.792 494 T HA 0.212 nan 4.350 nan 0.000 0.303 494 T C -1.600 173.067 174.700 -0.056 0.000 1.310 494 T CA -0.284 61.728 62.100 -0.147 0.000 1.007 494 T CB 2.880 71.727 68.868 -0.035 0.000 1.335 494 T HN 0.198 8.658 8.240 -0.173 -0.324 0.504 495 D N 1.104 121.487 120.400 -0.028 0.000 2.372 495 D HA 0.187 nan 4.640 nan 0.000 0.243 495 D C -0.689 175.606 176.300 -0.009 0.000 1.121 495 D CA 0.202 54.192 54.000 -0.017 0.000 0.898 495 D CB 0.452 41.246 40.800 -0.009 0.000 1.202 495 D HN 0.150 8.505 8.370 -0.025 0.000 0.428 496 A N 1.719 124.524 122.820 -0.025 0.000 2.305 496 A HA 0.358 nan 4.320 nan 0.000 0.322 496 A C -0.422 177.147 177.584 -0.024 0.000 1.187 496 A CA -0.731 51.283 52.037 -0.039 0.000 0.825 496 A CB 1.566 20.510 19.000 -0.093 0.000 1.164 496 A HN 0.208 8.338 8.150 -0.034 0.000 0.498 497 T N -2.656 111.892 114.554 -0.010 0.000 3.010 497 T HA 0.049 nan 4.350 nan 0.000 0.252 497 T C 0.542 175.256 174.700 0.023 0.000 1.047 497 T CA 0.486 62.593 62.100 0.012 0.000 1.140 497 T CB 0.054 68.932 68.868 0.016 0.000 0.885 497 T HN 0.210 8.442 8.240 -0.013 0.000 0.464 498 T N 5.308 119.864 114.554 0.003 0.000 2.907 498 T HA 0.220 nan 4.350 nan 0.000 0.298 498 T C -2.355 172.361 174.700 0.028 0.000 1.017 498 T CA -1.990 60.120 62.100 0.016 0.000 1.118 498 T CB 0.394 69.253 68.868 -0.015 0.000 0.948 498 T HN -0.411 7.818 8.240 -0.017 0.000 0.531 499 P HA 0.042 nan 4.420 nan 0.000 0.271 499 P C -1.530 175.830 177.300 0.100 0.000 1.220 499 P CA -0.153 63.075 63.100 0.213 0.000 0.768 499 P CB 0.480 32.386 31.700 0.344 0.000 0.848 500 I N 1.948 122.538 120.570 0.034 0.000 2.478 500 I HA 0.354 nan 4.170 nan 0.000 0.287 500 I C -1.022 175.197 176.117 0.170 0.000 1.042 500 I CA -1.599 59.653 61.300 -0.081 0.000 1.067 500 I CB 2.791 40.412 38.000 -0.632 0.000 1.233 500 I HN 0.649 8.851 8.210 -0.013 0.000 0.431 501 I N 6.995 127.705 120.570 0.233 0.000 2.342 501 I HA 0.170 nan 4.170 nan 0.000 0.291 501 I C -0.411 175.860 176.117 0.257 0.000 1.010 501 I CA -0.002 61.434 61.300 0.227 0.000 1.308 501 I CB 0.710 38.780 38.000 0.116 0.000 1.400 501 I HN 0.781 9.509 8.210 0.171 -0.416 0.488 502 G N 6.263 115.047 108.800 -0.026 0.000 2.850 502 G HA2 0.206 nan 3.960 nan 0.000 0.211 502 G HA3 0.206 nan 3.960 nan 0.000 0.211 502 G C -1.506 173.283 174.900 -0.185 0.000 1.124 502 G CA -0.510 44.466 45.100 -0.206 0.000 0.769 502 G HN 0.656 8.819 8.290 -0.212 0.000 0.535 503 N N -2.037 116.420 118.700 -0.405 0.000 3.171 503 N HA 0.143 nan 4.740 nan 0.000 0.239 503 N C -2.511 172.671 175.510 -0.546 0.000 1.275 503 N CA 0.210 53.040 53.050 -0.366 0.000 0.920 503 N CB 3.272 41.715 38.487 -0.073 0.000 1.554 503 N HN -0.634 7.458 8.380 -0.480 0.000 0.504 504 V N 0.734 120.336 119.914 -0.519 0.000 2.888 504 V HA 0.729 nan 4.120 nan 0.000 0.309 504 V C -1.928 174.142 176.094 -0.041 0.000 1.114 504 V CA -1.542 60.563 62.300 -0.326 0.000 0.940 504 V CB 4.061 35.656 31.823 -0.380 0.000 1.021 504 V HN 0.358 8.340 8.190 -0.348 0.000 0.426 505 G N 2.183 111.002 108.800 0.032 0.000 2.766 505 G HA2 0.529 nan 3.960 nan 0.000 0.297 505 G HA3 0.529 nan 3.960 nan 0.000 0.297 505 G C -3.704 171.269 174.900 0.122 0.000 1.431 505 G CA -1.492 43.676 45.100 0.113 0.000 1.042 505 G HN 0.233 8.516 8.290 -0.013 0.000 0.542 506 P HA 0.185 nan 4.420 nan 0.000 0.275 506 P C -1.027 176.405 177.300 0.219 0.000 1.266 506 P CA -0.399 62.786 63.100 0.141 0.000 0.793 506 P CB 1.229 32.977 31.700 0.080 0.000 1.074 507 M N -3.035 116.603 119.600 0.064 0.000 2.356 507 M HA 0.257 nan 4.480 nan 0.000 0.262 507 M C -0.791 175.176 176.300 -0.555 0.000 1.097 507 M CA -0.700 54.556 55.300 -0.074 0.000 0.991 507 M CB 0.552 33.172 32.600 0.033 0.000 1.450 507 M HN 0.440 8.739 8.290 0.017 0.000 0.495 508 M N -2.147 117.186 119.600 -0.445 0.000 2.265 508 M HA 0.303 nan 4.480 nan 0.000 0.262 508 M C -2.615 173.559 176.300 -0.209 0.000 1.026 508 M CA 0.058 55.109 55.300 -0.415 0.000 0.987 508 M CB 3.226 35.685 32.600 -0.235 0.000 1.937 508 M HN -0.926 7.173 8.290 -0.215 0.062 0.481 509 A N 4.220 126.960 122.820 -0.134 0.000 2.586 509 A HA 0.663 nan 4.320 nan 0.000 0.291 509 A C -2.676 174.929 177.584 0.035 0.000 1.062 509 A CA -0.293 51.747 52.037 0.004 0.000 0.666 509 A CB 4.219 23.279 19.000 0.100 0.000 1.281 509 A HN 0.505 8.533 8.150 -0.203 0.000 0.421 510 K N -1.253 119.161 120.400 0.022 0.000 2.090 510 K HA 0.582 nan 4.320 nan 0.000 0.250 510 K C -2.328 174.275 176.600 0.005 0.000 1.004 510 K CA -2.583 53.712 56.287 0.014 0.000 0.919 510 K CB -0.935 31.566 32.500 0.002 0.000 1.045 510 K HN 0.185 8.758 8.250 0.016 -0.313 0.471 511 P HA -0.355 nan 4.420 nan 0.000 0.266 511 P C -0.266 177.000 177.300 -0.057 0.000 1.195 511 P CA 1.249 64.305 63.100 -0.074 0.000 0.768 511 P CB -0.355 31.292 31.700 -0.088 0.000 0.838 512 G N 1.442 110.196 108.800 -0.076 0.000 2.258 512 G HA2 -0.475 nan 3.960 nan 0.000 0.233 512 G HA3 -0.475 nan 3.960 nan 0.000 0.233 512 G C -0.725 174.157 174.900 -0.031 0.000 1.006 512 G CA -0.037 45.033 45.100 -0.050 0.000 0.620 512 G HN 0.249 8.468 8.290 -0.118 0.000 0.511 513 V N 3.486 123.393 119.914 -0.011 0.000 2.614 513 V HA -0.003 nan 4.120 nan 0.000 0.291 513 V C 0.245 176.347 176.094 0.014 0.000 1.049 513 V CA 0.683 62.991 62.300 0.013 0.000 1.038 513 V CB 0.403 32.254 31.823 0.047 0.000 0.980 513 V HN -0.596 7.523 8.190 -0.009 0.065 0.481 514 T N 8.188 122.746 114.554 0.006 0.000 2.752 514 T HA 0.105 nan 4.350 nan 0.000 0.295 514 T C -0.809 173.906 174.700 0.025 0.000 0.923 514 T CA 0.585 62.688 62.100 0.003 0.000 1.112 514 T CB -0.477 68.384 68.868 -0.012 0.000 0.884 514 T HN 0.203 8.442 8.240 -0.002 0.000 0.525 515 I N 8.297 128.886 120.570 0.031 0.000 2.577 515 I HA 0.210 nan 4.170 nan 0.000 0.300 515 I C -1.158 174.939 176.117 -0.033 0.000 0.990 515 I CA -1.418 59.903 61.300 0.036 0.000 1.283 515 I CB 3.248 41.270 38.000 0.035 0.000 1.411 515 I HN 0.614 8.836 8.210 0.021 0.000 0.515 516 T N 8.064 122.594 114.554 -0.041 0.000 2.791 516 T HA 0.557 nan 4.350 nan 0.000 0.288 516 T C -1.299 173.319 174.700 -0.137 0.000 0.999 516 T CA -0.454 61.598 62.100 -0.080 0.000 0.952 516 T CB 0.374 69.220 68.868 -0.037 0.000 0.938 516 T HN 0.505 8.743 8.240 -0.002 0.000 0.444 517 I N 7.932 128.377 120.570 -0.208 0.000 2.378 517 I HA 0.502 nan 4.170 nan 0.000 0.291 517 I C -1.925 174.110 176.117 -0.137 0.000 0.992 517 I CA -0.989 60.148 61.300 -0.271 0.000 1.154 517 I CB 1.722 39.461 38.000 -0.435 0.000 1.315 517 I HN 0.920 8.998 8.210 -0.219 0.000 0.448 518 D N 6.628 126.951 120.400 -0.128 0.000 2.248 518 D HA 0.768 nan 4.640 nan 0.000 0.246 518 D C -0.978 175.196 176.300 -0.209 0.000 1.027 518 D CA -1.586 52.361 54.000 -0.089 0.000 0.853 518 D CB 3.291 44.008 40.800 -0.139 0.000 1.243 518 D HN 0.551 8.781 8.370 -0.233 0.000 0.462 519 G N 0.765 109.396 108.800 -0.280 0.000 2.441 519 G HA2 0.314 nan 3.960 nan 0.000 0.225 519 G HA3 0.314 nan 3.960 nan 0.000 0.225 519 G C -2.601 171.995 174.900 -0.506 0.000 1.200 519 G CA 0.910 45.797 45.100 -0.355 0.000 0.947 519 G HN 0.434 8.477 8.290 -0.240 0.103 0.484 520 R N -0.542 119.669 120.500 -0.482 0.000 2.808 520 R HA 0.445 nan 4.340 nan 0.000 0.272 520 R C -0.606 175.368 176.300 -0.543 0.000 0.995 520 R CA -2.414 53.415 56.100 -0.452 0.000 0.917 520 R CB 3.795 34.079 30.300 -0.027 0.000 1.217 520 R HN 0.140 8.203 8.270 -0.345 0.000 0.471 521 G N 0.557 109.153 108.800 -0.340 0.000 2.141 521 G HA2 -0.334 nan 3.960 nan 0.000 0.242 521 G HA3 -0.334 nan 3.960 nan 0.000 0.242 521 G C -0.377 174.586 174.900 0.105 0.000 0.982 521 G CA 0.556 45.596 45.100 -0.099 0.000 0.662 521 G HN 0.428 8.907 8.290 -0.293 -0.365 0.527 522 F N -1.203 118.776 119.950 0.048 0.000 2.325 522 F HA -0.194 nan 4.527 nan 0.000 0.299 522 F C 0.734 176.767 175.800 0.388 0.000 1.090 522 F CA 0.311 58.392 58.000 0.134 0.000 1.392 522 F CB 0.494 39.371 39.000 -0.206 0.000 1.053 522 F HN -0.721 7.290 8.300 -0.403 0.047 0.521 523 G N -1.783 107.252 108.800 0.393 0.000 2.829 523 G HA2 -0.345 nan 3.960 nan 0.000 0.628 523 G HA3 -0.345 nan 3.960 nan 0.000 0.628 523 G C -1.040 174.102 174.900 0.404 0.000 1.412 523 G CA -0.295 44.991 45.100 0.311 0.000 0.864 523 G HN -0.602 8.051 8.290 0.239 -0.220 0.544 524 S N -0.640 115.202 115.700 0.236 0.000 2.501 524 S HA -0.079 nan 4.470 nan 0.000 0.220 524 S C 0.253 174.942 174.600 0.149 0.000 0.997 524 S CA 0.863 59.193 58.200 0.216 0.000 0.919 524 S CB 0.256 63.523 63.200 0.112 0.000 0.778 524 S HN 0.263 8.668 8.310 0.157 0.000 0.523 525 G N 0.743 109.552 108.800 0.014 0.000 2.325 525 G HA2 0.056 nan 3.960 nan 0.000 0.298 525 G HA3 0.056 nan 3.960 nan 0.000 0.298 525 G C -1.814 172.726 174.900 -0.601 0.000 1.134 525 G CA -1.005 43.989 45.100 -0.177 0.000 0.876 525 G HN -0.508 7.771 8.290 0.064 0.050 0.452 526 K N 4.656 124.663 120.400 -0.654 0.000 2.405 526 K HA -0.252 nan 4.320 nan 0.000 0.273 526 K C -0.121 175.719 176.600 -1.266 0.000 1.116 526 K CA 0.663 56.304 56.287 -1.076 0.000 1.155 526 K CB 0.208 32.458 32.500 -0.417 0.000 0.858 526 K HN 0.217 8.257 8.250 -0.350 0.000 0.477 527 G N 3.920 111.361 108.800 -2.265 0.000 3.022 527 G HA2 0.476 nan 3.960 nan 0.000 0.157 527 G HA3 0.476 nan 3.960 nan 0.000 0.157 527 G C -1.560 172.931 174.900 -0.681 0.000 1.468 527 G CA -0.719 43.693 45.100 -1.146 0.000 1.058 527 G HN -0.039 5.382 8.290 -4.782 0.000 0.581 528 T N 2.473 116.877 114.554 -0.250 0.000 2.876 528 T HA 0.324 nan 4.350 nan 0.000 0.289 528 T C -1.420 173.207 174.700 -0.121 0.000 1.014 528 T CA -0.364 61.606 62.100 -0.216 0.000 0.986 528 T CB 2.650 71.288 68.868 -0.382 0.000 1.021 528 T HN 0.151 8.232 8.240 -0.076 0.114 0.458 529 V N 3.784 123.595 119.914 -0.173 0.000 2.495 529 V HA 0.741 nan 4.120 nan 0.000 0.298 529 V C -1.418 174.527 176.094 -0.248 0.000 1.031 529 V CA -1.373 60.829 62.300 -0.163 0.000 0.871 529 V CB 2.033 33.825 31.823 -0.053 0.000 0.988 529 V HN 0.835 8.924 8.190 -0.169 0.000 0.432 530 Y N 5.144 125.426 120.300 -0.030 0.000 2.331 530 Y HA 0.447 nan 4.550 nan 0.000 0.338 530 Y C -0.874 174.971 175.900 -0.092 0.000 0.992 530 Y CA -2.439 55.675 58.100 0.023 0.000 1.121 530 Y CB 2.444 40.913 38.460 0.015 0.000 1.184 530 Y HN 0.878 9.142 8.280 -0.028 0.000 0.469 531 F N 3.606 123.630 119.950 0.123 0.000 2.347 531 F HA 0.255 nan 4.527 nan 0.000 0.366 531 F C 0.579 176.537 175.800 0.263 0.000 1.107 531 F CA -0.709 57.338 58.000 0.078 0.000 1.058 531 F CB -0.001 38.904 39.000 -0.158 0.000 1.236 531 F HN 0.723 9.335 8.300 0.520 0.000 0.456 532 G N 7.267 116.339 108.800 0.452 0.000 2.596 532 G HA2 -0.440 nan 3.960 nan 0.000 0.304 532 G HA3 -0.440 nan 3.960 nan 0.000 0.304 532 G C -0.740 174.303 174.900 0.238 0.000 1.189 532 G CA 1.800 47.105 45.100 0.342 0.000 0.986 532 G HN 0.424 8.921 8.290 0.346 0.000 0.548 533 T N -0.654 114.032 114.554 0.221 0.000 3.134 533 T HA 0.188 nan 4.350 nan 0.000 0.260 533 T C 0.230 175.096 174.700 0.275 0.000 1.027 533 T CA -0.809 61.394 62.100 0.172 0.000 0.913 533 T CB -0.243 68.674 68.868 0.082 0.000 1.046 533 T HN -0.014 8.369 8.240 0.237 0.000 0.553 534 T N 6.563 121.299 114.554 0.305 0.000 2.856 534 T HA 0.172 nan 4.350 nan 0.000 0.292 534 T C -1.750 173.112 174.700 0.270 0.000 0.980 534 T CA 0.440 62.681 62.100 0.235 0.000 1.091 534 T CB 1.215 70.177 68.868 0.157 0.000 0.936 534 T HN 0.007 8.285 8.240 0.335 0.164 0.503 535 A N 4.273 127.175 122.820 0.137 0.000 2.330 535 A HA 0.830 nan 4.320 nan 0.000 0.313 535 A C -1.307 176.241 177.584 -0.061 0.000 1.124 535 A CA -1.236 50.776 52.037 -0.042 0.000 0.774 535 A CB 1.903 20.858 19.000 -0.075 0.000 1.198 535 A HN 0.066 8.278 8.150 0.103 0.000 0.465 536 V N -0.390 119.480 119.914 -0.072 0.000 2.483 536 V HA 0.619 nan 4.120 nan 0.000 0.295 536 V C -1.332 174.713 176.094 -0.082 0.000 1.035 536 V CA -1.749 60.519 62.300 -0.052 0.000 0.896 536 V CB 1.344 33.163 31.823 -0.006 0.000 0.986 536 V HN 0.685 8.818 8.190 -0.095 0.000 0.447 537 T N 0.113 114.622 114.554 -0.076 0.000 2.696 537 T HA 0.551 nan 4.350 nan 0.000 0.291 537 T C 0.010 174.670 174.700 -0.066 0.000 1.095 537 T CA -1.725 60.319 62.100 -0.093 0.000 1.026 537 T CB 2.976 71.775 68.868 -0.114 0.000 1.390 537 T HN 0.021 8.222 8.240 -0.065 0.000 0.513 538 G N 1.366 110.119 108.800 -0.080 0.000 2.583 538 G HA2 -0.487 nan 3.960 nan 0.000 0.292 538 G HA3 -0.487 nan 3.960 nan 0.000 0.292 538 G C 0.397 175.275 174.900 -0.037 0.000 1.203 538 G CA 1.450 46.514 45.100 -0.061 0.000 0.987 538 G HN 0.471 8.694 8.290 -0.112 0.000 0.554 539 A N 3.029 125.831 122.820 -0.031 0.000 2.168 539 A HA -0.034 nan 4.320 nan 0.000 0.215 539 A C 0.827 178.400 177.584 -0.018 0.000 1.152 539 A CA 1.910 53.934 52.037 -0.021 0.000 0.716 539 A CB -0.292 18.694 19.000 -0.023 0.000 0.794 539 A HN 0.376 8.505 8.150 -0.035 0.000 0.465 540 D N -3.368 117.018 120.400 -0.023 0.000 2.317 540 D HA 0.005 nan 4.640 nan 0.000 0.211 540 D C -0.504 175.794 176.300 -0.004 0.000 0.966 540 D CA 1.636 55.620 54.000 -0.026 0.000 0.876 540 D CB 0.383 41.156 40.800 -0.045 0.000 0.927 540 D HN -0.660 7.644 8.370 -0.029 0.049 0.519 541 I N 0.316 120.898 120.570 0.020 0.000 2.322 541 I HA 0.003 nan 4.170 nan 0.000 0.292 541 I C 0.541 176.687 176.117 0.049 0.000 1.060 541 I CA -0.549 60.792 61.300 0.069 0.000 1.309 541 I CB -0.919 37.168 38.000 0.145 0.000 1.415 541 I HN -0.694 7.470 8.210 0.009 0.052 0.492 542 V N 2.013 121.946 119.914 0.031 0.000 2.788 542 V HA 0.217 nan 4.120 nan 0.000 0.251 542 V C -0.805 175.311 176.094 0.037 0.000 1.068 542 V CA 0.289 62.600 62.300 0.019 0.000 1.090 542 V CB 0.424 32.247 31.823 -0.000 0.000 0.710 542 V HN 0.502 8.612 8.190 0.022 0.093 0.467 543 A N -0.350 122.502 122.820 0.054 0.000 2.520 543 A HA 0.480 nan 4.320 nan 0.000 0.298 543 A C -2.719 174.944 177.584 0.132 0.000 1.051 543 A CA -0.044 52.035 52.037 0.071 0.000 0.690 543 A CB 2.786 21.797 19.000 0.018 0.000 1.281 543 A HN -0.223 7.958 8.150 0.051 0.000 0.402 544 W N 2.249 123.539 121.300 -0.016 0.000 3.097 544 W HA 0.531 nan 4.660 nan 0.000 0.335 544 W C -1.886 174.653 176.519 0.035 0.000 1.114 544 W CA -0.728 56.616 57.345 -0.002 0.000 1.231 544 W CB 3.298 32.745 29.460 -0.020 0.000 1.388 544 W HN 0.173 8.488 8.180 0.226 0.000 0.485 545 E N 2.416 122.660 120.200 0.073 0.000 2.442 545 E HA 0.259 nan 4.350 nan 0.000 0.278 545 E C -1.044 175.628 176.600 0.120 0.000 1.082 545 E CA -1.019 55.485 56.400 0.173 0.000 0.861 545 E CB 1.759 31.513 29.700 0.091 0.000 1.462 545 E HN -0.278 7.947 8.360 -0.225 0.000 0.458 546 D N -0.758 119.697 120.400 0.091 0.000 2.218 546 D HA -0.222 nan 4.640 nan 0.000 0.204 546 D C 0.805 176.951 176.300 -0.257 0.000 0.976 546 D CA 3.495 57.496 54.000 0.002 0.000 0.853 546 D CB 0.339 41.126 40.800 -0.022 0.000 0.939 546 D HN 0.572 8.993 8.370 0.085 0.000 0.481 547 T N -9.624 104.832 114.554 -0.163 0.000 3.001 547 T HA 0.099 nan 4.350 nan 0.000 0.251 547 T C -0.726 173.943 174.700 -0.052 0.000 1.040 547 T CA -0.274 61.676 62.100 -0.249 0.000 0.985 547 T CB 0.676 69.474 68.868 -0.117 0.000 1.011 547 T HN -0.038 8.135 8.240 -0.057 0.032 0.509 548 Q N 0.253 120.124 119.800 0.118 0.000 2.327 548 Q HA 0.598 nan 4.340 nan 0.000 0.265 548 Q C -2.766 173.173 176.000 -0.102 0.000 0.993 548 Q CA -0.072 55.777 55.803 0.078 0.000 0.885 548 Q CB 4.071 32.799 28.738 -0.016 0.000 1.379 548 Q HN -0.616 7.729 8.270 0.125 0.000 0.408 549 I N 2.072 122.457 120.570 -0.309 0.000 2.608 549 I HA 0.687 nan 4.170 nan 0.000 0.295 549 I C -2.731 173.228 176.117 -0.263 0.000 1.049 549 I CA -2.038 58.988 61.300 -0.456 0.000 1.063 549 I CB 4.146 41.504 38.000 -1.070 0.000 1.248 549 I HN 0.678 8.725 8.210 -0.272 0.000 0.424 550 Q N 4.932 124.643 119.800 -0.147 0.000 2.330 550 Q HA 0.730 nan 4.340 nan 0.000 0.269 550 Q C -2.512 173.459 176.000 -0.048 0.000 1.022 550 Q CA -1.386 54.364 55.803 -0.089 0.000 0.796 550 Q CB 3.637 32.344 28.738 -0.052 0.000 1.271 550 Q HN 0.375 8.468 8.270 -0.109 0.112 0.450 551 V N 3.295 123.184 119.914 -0.041 0.000 2.971 551 V HA 0.597 nan 4.120 nan 0.000 0.309 551 V C -2.466 173.626 176.094 -0.002 0.000 1.130 551 V CA -1.930 60.367 62.300 -0.005 0.000 0.964 551 V CB 4.473 36.304 31.823 0.013 0.000 1.029 551 V HN 0.424 8.583 8.190 -0.051 0.000 0.427 552 K N 6.788 127.172 120.400 -0.027 0.000 2.322 552 K HA 0.237 nan 4.320 nan 0.000 0.283 552 K C -0.285 176.219 176.600 -0.160 0.000 1.042 552 K CA -0.166 56.081 56.287 -0.066 0.000 0.958 552 K CB 0.872 33.328 32.500 -0.073 0.000 0.984 552 K HN 0.238 8.474 8.250 -0.024 0.000 0.473 553 I N 5.846 126.294 120.570 -0.203 0.000 2.668 553 I HA 0.019 nan 4.170 nan 0.000 0.285 553 I C -0.699 175.114 176.117 -0.506 0.000 1.168 553 I CA -1.549 59.447 61.300 -0.505 0.000 1.424 553 I CB -0.408 37.455 38.000 -0.229 0.000 1.377 553 I HN 0.252 8.402 8.210 -0.099 0.000 0.560 554 P HA 0.076 nan 4.420 nan 0.000 0.276 554 P C -1.245 175.858 177.300 -0.330 0.000 1.252 554 P CA -1.071 61.766 63.100 -0.438 0.000 0.802 554 P CB 0.855 32.285 31.700 -0.450 0.000 1.035 555 A N 1.047 123.750 122.820 -0.195 0.000 3.048 555 A HA 0.019 nan 4.320 nan 0.000 0.264 555 A C -0.418 177.108 177.584 -0.097 0.000 1.796 555 A CA -0.332 51.631 52.037 -0.123 0.000 1.445 555 A CB -1.464 17.490 19.000 -0.077 0.000 1.074 555 A HN 0.250 8.299 8.150 -0.168 0.000 0.621 556 V N -1.493 118.341 119.914 -0.134 0.000 2.713 556 V HA 0.380 nan 4.120 nan 0.000 0.307 556 V C -2.399 173.713 176.094 0.030 0.000 1.052 556 V CA -3.506 58.760 62.300 -0.057 0.000 0.967 556 V CB 0.214 31.932 31.823 -0.174 0.000 1.019 556 V HN -0.048 7.975 8.190 -0.199 0.047 0.459 557 P HA -0.020 nan 4.420 nan 0.000 0.263 557 P C -0.315 177.117 177.300 0.220 0.000 1.168 557 P CA 0.409 63.602 63.100 0.155 0.000 0.759 557 P CB 0.406 32.207 31.700 0.167 0.000 0.782 558 G N 1.679 110.568 108.800 0.149 0.000 2.484 558 G HA2 -0.100 nan 3.960 nan 0.000 0.235 558 G HA3 -0.100 nan 3.960 nan 0.000 0.235 558 G C -1.335 173.691 174.900 0.209 0.000 1.282 558 G CA -0.119 45.078 45.100 0.162 0.000 0.857 558 G HN 0.232 8.583 8.290 0.101 0.000 0.571 559 G N 0.697 109.647 108.800 0.249 0.000 2.362 559 G HA2 -0.179 nan 3.960 nan 0.000 0.288 559 G HA3 -0.179 nan 3.960 nan 0.000 0.288 559 G C -3.303 171.734 174.900 0.229 0.000 1.305 559 G CA -0.379 44.814 45.100 0.155 0.000 0.910 559 G HN -0.245 8.206 8.290 0.269 0.000 0.518 560 I N -3.348 117.249 120.570 0.045 0.000 2.474 560 I HA 0.934 nan 4.170 nan 0.000 0.294 560 I C -1.743 174.358 176.117 -0.027 0.000 1.005 560 I CA -1.739 59.653 61.300 0.153 0.000 1.113 560 I CB 2.478 40.523 38.000 0.075 0.000 1.289 560 I HN -0.055 8.114 8.210 -0.068 0.000 0.436 561 Y N 5.102 125.539 120.300 0.227 0.000 2.524 561 Y HA 0.230 nan 4.550 nan 0.000 0.344 561 Y C -0.953 175.057 175.900 0.184 0.000 1.012 561 Y CA -1.295 56.942 58.100 0.228 0.000 1.068 561 Y CB 3.421 42.084 38.460 0.339 0.000 1.249 561 Y HN 0.854 9.400 8.280 0.623 0.108 0.468 562 D N 1.123 121.671 120.400 0.248 0.000 2.210 562 D HA 0.481 nan 4.640 nan 0.000 0.249 562 D C -1.133 175.219 176.300 0.087 0.000 1.078 562 D CA -0.229 53.860 54.000 0.149 0.000 0.875 562 D CB 1.357 42.207 40.800 0.083 0.000 1.175 562 D HN 0.176 8.683 8.370 0.228 0.000 0.440 563 I N 1.864 122.439 120.570 0.008 0.000 2.525 563 I HA 0.639 nan 4.170 nan 0.000 0.301 563 I C -1.609 174.474 176.117 -0.055 0.000 0.992 563 I CA -1.080 60.105 61.300 -0.191 0.000 1.162 563 I CB 2.640 40.424 38.000 -0.361 0.000 1.332 563 I HN 0.656 8.802 8.210 0.092 0.119 0.458 564 R N 3.598 124.066 120.500 -0.053 0.000 2.643 564 R HA 0.691 nan 4.340 nan 0.000 0.269 564 R C -2.578 173.761 176.300 0.066 0.000 1.037 564 R CA -0.850 55.280 56.100 0.051 0.000 0.894 564 R CB 4.657 35.026 30.300 0.115 0.000 1.238 564 R HN 0.132 8.333 8.270 -0.115 0.000 0.459 565 V N 2.302 122.249 119.914 0.056 0.000 2.715 565 V HA 0.871 nan 4.120 nan 0.000 0.310 565 V C -2.255 173.944 176.094 0.176 0.000 1.054 565 V CA -1.996 60.322 62.300 0.030 0.000 0.928 565 V CB 4.137 35.837 31.823 -0.205 0.000 1.007 565 V HN 0.574 8.805 8.190 0.067 0.000 0.437 566 A N 3.817 126.768 122.820 0.218 0.000 2.343 566 A HA 0.807 nan 4.320 nan 0.000 0.308 566 A C -2.091 175.624 177.584 0.219 0.000 1.092 566 A CA -2.073 50.092 52.037 0.214 0.000 0.751 566 A CB 2.718 21.850 19.000 0.219 0.000 1.203 566 A HN 0.929 9.208 8.150 0.216 0.000 0.452 567 N N 2.986 121.818 118.700 0.219 0.000 2.347 567 N HA 0.171 nan 4.740 nan 0.000 0.253 567 N C 1.355 176.865 175.510 0.000 0.000 1.274 567 N CA -1.347 51.829 53.050 0.209 0.000 0.941 567 N CB 0.394 39.020 38.487 0.232 0.000 1.200 567 N HN 0.495 8.990 8.380 0.191 0.000 0.514 568 A N -1.399 121.355 122.820 -0.109 0.000 2.131 568 A HA -0.197 nan 4.320 nan 0.000 0.220 568 A C 0.391 177.934 177.584 -0.068 0.000 1.158 568 A CA 2.417 54.360 52.037 -0.156 0.000 0.665 568 A CB -0.894 17.995 19.000 -0.184 0.000 0.795 568 A HN 0.652 8.747 8.150 -0.092 0.000 0.460 569 A N -3.294 119.516 122.820 -0.016 0.000 2.345 569 A HA 0.100 nan 4.320 nan 0.000 0.225 569 A C 0.283 177.878 177.584 0.018 0.000 1.243 569 A CA -0.504 51.535 52.037 0.003 0.000 0.875 569 A CB 0.223 19.235 19.000 0.018 0.000 0.929 569 A HN -0.447 7.812 8.150 0.007 -0.105 0.502 570 G N -1.487 107.328 108.800 0.025 0.000 2.184 570 G HA2 -0.408 nan 3.960 nan 0.000 0.264 570 G HA3 -0.408 nan 3.960 nan 0.000 0.264 570 G C -0.711 174.231 174.900 0.069 0.000 0.975 570 G CA -0.015 45.115 45.100 0.050 0.000 0.642 570 G HN 0.030 8.156 8.290 0.013 0.172 0.536 571 A N 1.277 124.140 122.820 0.072 0.000 2.409 571 A HA 0.114 nan 4.320 nan 0.000 0.262 571 A C -1.725 175.923 177.584 0.107 0.000 1.113 571 A CA -0.008 52.075 52.037 0.077 0.000 0.790 571 A CB 0.968 20.010 19.000 0.071 0.000 1.046 571 A HN -0.211 8.229 8.150 0.069 -0.249 0.496 572 A N 1.976 124.852 122.820 0.094 0.000 2.325 572 A HA 0.770 nan 4.320 nan 0.000 0.333 572 A C -0.665 176.972 177.584 0.088 0.000 1.155 572 A CA -1.485 50.619 52.037 0.111 0.000 0.814 572 A CB 1.595 20.649 19.000 0.090 0.000 1.206 572 A HN 0.164 8.356 8.150 0.069 0.000 0.482 573 S N 2.579 118.341 115.700 0.103 0.000 2.632 573 S HA 0.105 nan 4.470 nan 0.000 0.267 573 S C -0.040 174.597 174.600 0.062 0.000 1.193 573 S CA -0.759 57.494 58.200 0.088 0.000 1.003 573 S CB 1.436 64.704 63.200 0.114 0.000 1.073 573 S HN 0.636 9.019 8.310 0.122 0.000 0.553 574 N N -0.949 117.788 118.700 0.061 0.000 2.424 574 N HA -0.061 nan 4.740 nan 0.000 0.257 574 N C -0.627 174.930 175.510 0.078 0.000 1.250 574 N CA -0.266 52.818 53.050 0.057 0.000 0.946 574 N CB 0.534 39.057 38.487 0.059 0.000 1.175 574 N HN 0.168 8.587 8.380 0.065 0.000 0.477 575 I N -1.000 119.607 120.570 0.062 0.000 2.371 575 I HA -0.063 nan 4.170 nan 0.000 0.290 575 I C -0.870 175.305 176.117 0.095 0.000 1.028 575 I CA -0.998 60.340 61.300 0.064 0.000 1.345 575 I CB -0.462 37.553 38.000 0.026 0.000 1.407 575 I HN -0.030 8.206 8.210 0.043 0.000 0.501 576 Y N 9.814 130.115 120.300 0.003 0.000 2.491 576 Y HA 0.113 nan 4.550 nan 0.000 0.334 576 Y C -1.752 174.174 175.900 0.043 0.000 0.969 576 Y CA -1.490 56.622 58.100 0.020 0.000 1.241 576 Y CB 1.526 39.984 38.460 -0.003 0.000 1.105 576 Y HN 0.837 9.117 8.280 0.179 0.107 0.503 577 D N 5.517 125.881 120.400 -0.061 0.000 2.478 577 D HA 0.035 nan 4.640 nan 0.000 0.274 577 D C -0.310 176.038 176.300 0.079 0.000 1.234 577 D CA -1.068 52.952 54.000 0.032 0.000 1.069 577 D CB 0.943 41.734 40.800 -0.013 0.000 1.113 577 D HN 0.061 8.289 8.370 -0.237 0.000 0.571 578 N N -3.656 115.103 118.700 0.098 0.000 2.747 578 N HA -0.414 nan 4.740 nan 0.000 0.249 578 N C -0.996 174.617 175.510 0.171 0.000 1.107 578 N CA 1.249 54.358 53.050 0.097 0.000 0.707 578 N CB -0.344 38.163 38.487 0.034 0.000 1.054 578 N HN 0.253 8.684 8.380 0.085 0.000 0.555 579 F N 0.180 120.224 119.950 0.158 0.000 2.467 579 F HA -0.106 nan 4.527 nan 0.000 0.362 579 F C -1.841 174.087 175.800 0.213 0.000 1.090 579 F CA -0.103 58.011 58.000 0.189 0.000 1.202 579 F CB 1.326 40.449 39.000 0.205 0.000 1.113 579 F HN -0.171 8.345 8.300 0.406 0.027 0.541 580 E N 8.788 128.670 120.200 -0.531 0.000 2.081 580 E HA 0.425 nan 4.350 nan 0.000 0.281 580 E C -1.626 174.823 176.600 -0.251 0.000 0.986 580 E CA -1.367 54.897 56.400 -0.227 0.000 0.796 580 E CB 1.673 31.258 29.700 -0.192 0.000 1.085 580 E HN 0.578 8.304 8.360 -0.877 0.108 0.398 581 V N 7.619 127.623 119.914 0.150 0.000 2.498 581 V HA 0.255 nan 4.120 nan 0.000 0.279 581 V C -0.617 175.526 176.094 0.082 0.000 1.048 581 V CA -0.070 62.323 62.300 0.155 0.000 0.967 581 V CB 0.501 32.413 31.823 0.147 0.000 0.988 581 V HN 0.728 9.135 8.190 0.362 0.000 0.473 582 L N 7.126 128.366 121.223 0.028 0.000 2.379 582 L HA 0.230 nan 4.340 nan 0.000 0.269 582 L C 0.615 177.501 176.870 0.026 0.000 1.084 582 L CA 0.010 54.858 54.840 0.014 0.000 0.802 582 L CB 1.006 43.058 42.059 -0.010 0.000 1.175 582 L HN 0.311 8.457 8.230 0.024 0.099 0.448 583 T N 1.110 115.679 114.554 0.025 0.000 2.929 583 T HA -0.123 nan 4.350 nan 0.000 0.271 583 T C 0.108 174.816 174.700 0.013 0.000 1.085 583 T CA 1.616 63.730 62.100 0.023 0.000 1.125 583 T CB 0.041 68.922 68.868 0.021 0.000 0.874 583 T HN 0.402 8.863 8.240 0.023 -0.207 0.494 584 G N 0.191 108.996 108.800 0.008 0.000 2.404 584 G HA2 -0.042 nan 3.960 nan 0.000 0.253 584 G HA3 -0.042 nan 3.960 nan 0.000 0.253 584 G C -2.669 172.232 174.900 0.001 0.000 1.253 584 G CA -0.642 44.460 45.100 0.004 0.000 0.917 584 G HN -0.753 7.520 8.290 0.007 0.021 0.480 585 D N 2.215 122.616 120.400 0.001 0.000 2.399 585 D HA 0.059 nan 4.640 nan 0.000 0.241 585 D C -0.487 175.815 176.300 0.003 0.000 1.133 585 D CA 0.681 54.680 54.000 -0.002 0.000 0.890 585 D CB 0.892 41.691 40.800 -0.001 0.000 1.201 585 D HN 0.100 8.472 8.370 0.003 0.000 0.432 586 Q N -0.949 118.850 119.800 -0.002 0.000 2.241 586 Q HA 0.824 nan 4.340 nan 0.000 0.262 586 Q C -0.506 175.509 176.000 0.026 0.000 1.014 586 Q CA -1.267 54.542 55.803 0.010 0.000 0.885 586 Q CB 2.761 31.494 28.738 -0.007 0.000 1.311 586 Q HN 0.167 8.428 8.270 -0.014 0.000 0.461 587 V N -6.974 112.974 119.914 0.056 0.000 3.048 587 V HA 0.571 nan 4.120 nan 0.000 0.303 587 V C -2.067 174.104 176.094 0.128 0.000 1.214 587 V CA -1.994 60.360 62.300 0.090 0.000 0.984 587 V CB 3.364 35.243 31.823 0.094 0.000 1.054 587 V HN 0.582 8.811 8.190 0.064 0.000 0.430 588 T N 3.962 118.622 114.554 0.177 0.000 2.771 588 T HA 0.583 nan 4.350 nan 0.000 0.281 588 T C -1.334 173.495 174.700 0.214 0.000 0.982 588 T CA -1.463 60.770 62.100 0.223 0.000 0.978 588 T CB 1.052 70.109 68.868 0.314 0.000 0.930 588 T HN 0.147 8.504 8.240 0.195 0.000 0.447 589 V N 9.146 129.178 119.914 0.197 0.000 2.495 589 V HA 0.598 nan 4.120 nan 0.000 0.298 589 V C -1.692 174.448 176.094 0.077 0.000 1.031 589 V CA -1.350 60.990 62.300 0.068 0.000 0.871 589 V CB 3.136 34.941 31.823 -0.031 0.000 0.988 589 V HN 0.750 9.087 8.190 0.246 0.000 0.432 590 R N 6.396 126.901 120.500 0.008 0.000 2.265 590 R HA 0.355 nan 4.340 nan 0.000 0.314 590 R C -1.584 174.650 176.300 -0.110 0.000 1.053 590 R CA -1.193 54.969 56.100 0.103 0.000 0.931 590 R CB 1.410 31.791 30.300 0.134 0.000 1.024 590 R HN 0.750 9.004 8.270 -0.027 0.000 0.457 591 F N 7.153 127.185 119.950 0.136 0.000 2.411 591 F HA 0.542 nan 4.527 nan 0.000 0.352 591 F C -1.429 174.455 175.800 0.139 0.000 1.123 591 F CA -0.453 57.631 58.000 0.140 0.000 1.044 591 F CB 2.052 41.202 39.000 0.251 0.000 1.135 591 F HN 0.494 9.102 8.300 0.514 0.000 0.461 592 V N 5.434 125.411 119.914 0.104 0.000 2.448 592 V HA 0.681 nan 4.120 nan 0.000 0.295 592 V C -2.007 174.019 176.094 -0.113 0.000 1.025 592 V CA -1.425 60.813 62.300 -0.103 0.000 0.859 592 V CB 2.348 33.919 31.823 -0.421 0.000 0.988 592 V HN 0.994 9.215 8.190 0.053 0.000 0.431 593 I N 7.148 127.623 120.570 -0.158 0.000 2.478 593 I HA 0.523 nan 4.170 nan 0.000 0.287 593 I C -2.599 173.472 176.117 -0.078 0.000 1.042 593 I CA -1.857 59.298 61.300 -0.241 0.000 1.067 593 I CB 3.670 41.248 38.000 -0.704 0.000 1.233 593 I HN 0.548 8.710 8.210 -0.079 0.000 0.431 594 N N 9.357 128.028 118.700 -0.048 0.000 2.495 594 N HA 0.273 nan 4.740 nan 0.000 0.280 594 N C -0.794 174.740 175.510 0.040 0.000 1.168 594 N CA 0.274 53.320 53.050 -0.006 0.000 0.978 594 N CB 1.025 39.502 38.487 -0.016 0.000 1.191 594 N HN 0.762 9.002 8.380 -0.057 0.106 0.497 595 N N -3.562 115.140 118.700 0.003 0.000 2.735 595 N HA -0.452 nan 4.740 nan 0.000 0.248 595 N C -1.479 174.014 175.510 -0.028 0.000 1.083 595 N CA 1.315 54.354 53.050 -0.018 0.000 0.703 595 N CB -1.935 36.573 38.487 0.035 0.000 1.005 595 N HN 0.719 9.081 8.380 -0.030 0.000 0.550 596 A N -0.195 122.604 122.820 -0.034 0.000 2.774 596 A HA 0.232 nan 4.320 nan 0.000 0.326 596 A C -1.256 176.269 177.584 -0.099 0.000 1.478 596 A CA -1.145 50.765 52.037 -0.211 0.000 1.099 596 A CB 0.094 18.982 19.000 -0.186 0.000 1.148 596 A HN -0.176 7.980 8.150 0.042 0.019 0.519 597 T N 6.459 120.887 114.554 -0.210 0.000 2.884 597 T HA 0.227 nan 4.350 nan 0.000 0.298 597 T C -0.741 174.004 174.700 0.075 0.000 0.998 597 T CA 1.233 63.321 62.100 -0.021 0.000 1.124 597 T CB 0.318 69.140 68.868 -0.077 0.000 0.931 597 T HN -0.077 7.955 8.240 -0.347 0.000 0.531 598 T N 2.276 117.029 114.554 0.331 0.000 2.912 598 T HA 0.357 nan 4.350 nan 0.000 0.299 598 T C -1.266 173.502 174.700 0.112 0.000 1.052 598 T CA -1.961 60.238 62.100 0.165 0.000 0.996 598 T CB 2.642 71.666 68.868 0.261 0.000 1.070 598 T HN 0.103 8.733 8.240 0.650 0.000 0.465 599 A N 2.900 125.747 122.820 0.046 0.000 2.292 599 A HA 0.230 nan 4.320 nan 0.000 0.265 599 A C -0.308 177.289 177.584 0.022 0.000 1.133 599 A CA -0.761 51.293 52.037 0.028 0.000 0.807 599 A CB 0.857 19.866 19.000 0.016 0.000 1.102 599 A HN 0.285 8.447 8.150 0.020 0.000 0.502 600 L N -2.098 119.130 121.223 0.007 0.000 2.455 600 L HA -0.163 nan 4.340 nan 0.000 0.272 600 L C 0.329 177.212 176.870 0.022 0.000 1.174 600 L CA 1.637 56.479 54.840 0.004 0.000 0.869 600 L CB -0.016 42.041 42.059 -0.003 0.000 1.130 600 L HN 0.003 8.237 8.230 0.007 0.000 0.474 601 G N 2.587 111.408 108.800 0.035 0.000 2.159 601 G HA2 -0.429 nan 3.960 nan 0.000 0.256 601 G HA3 -0.429 nan 3.960 nan 0.000 0.256 601 G C -1.851 173.091 174.900 0.070 0.000 0.977 601 G CA -0.191 44.940 45.100 0.052 0.000 0.652 601 G HN 0.446 8.755 8.290 0.031 0.000 0.531 602 Q N 0.142 119.988 119.800 0.076 0.000 2.316 602 Q HA 0.296 nan 4.340 nan 0.000 0.264 602 Q C -1.673 174.387 176.000 0.100 0.000 0.987 602 Q CA -1.316 54.529 55.803 0.071 0.000 0.852 602 Q CB 2.426 31.181 28.738 0.028 0.000 1.287 602 Q HN -0.567 7.710 8.270 0.074 0.037 0.448 603 N N 5.086 123.824 118.700 0.063 0.000 2.262 603 N HA 0.236 nan 4.740 nan 0.000 0.295 603 N C -2.247 173.001 175.510 -0.437 0.000 1.161 603 N CA -0.628 52.316 53.050 -0.177 0.000 0.767 603 N CB 4.670 43.107 38.487 -0.084 0.000 1.499 603 N HN 0.025 8.492 8.380 0.144 0.000 0.476 604 V N 0.408 119.624 119.914 -1.163 0.000 2.567 604 V HA 0.642 nan 4.120 nan 0.000 0.289 604 V C -0.776 174.961 176.094 -0.595 0.000 1.049 604 V CA 0.454 62.303 62.300 -0.751 0.000 0.969 604 V CB 0.308 31.486 31.823 -1.074 0.000 0.995 604 V HN 0.240 7.182 8.190 -2.080 0.000 0.471 605 F N 3.974 123.796 119.950 -0.213 0.000 2.664 605 F HA 0.882 nan 4.527 nan 0.000 0.329 605 F C -1.831 173.920 175.800 -0.081 0.000 1.090 605 F CA -2.135 55.750 58.000 -0.190 0.000 0.978 605 F CB 4.280 43.152 39.000 -0.212 0.000 1.378 605 F HN 0.498 8.921 8.300 0.204 0.000 0.495 606 L N -1.378 119.842 121.223 -0.005 0.000 2.386 606 L HA 0.790 nan 4.340 nan 0.000 0.271 606 L C -2.364 174.385 176.870 -0.201 0.000 0.993 606 L CA -1.024 53.670 54.840 -0.243 0.000 0.819 606 L CB 3.380 45.152 42.059 -0.478 0.000 1.294 606 L HN 0.489 8.605 8.230 -0.015 0.105 0.414 607 T N 4.834 119.288 114.554 -0.167 0.000 2.812 607 T HA 0.811 nan 4.350 nan 0.000 0.294 607 T C -2.069 172.495 174.700 -0.227 0.000 1.159 607 T CA -1.824 60.206 62.100 -0.117 0.000 1.008 607 T CB 3.384 72.286 68.868 0.058 0.000 1.289 607 T HN 0.371 8.518 8.240 -0.155 0.000 0.514 608 G N -0.377 108.098 108.800 -0.542 0.000 2.430 608 G HA2 0.320 nan 3.960 nan 0.000 0.300 608 G HA3 0.320 nan 3.960 nan 0.000 0.300 608 G C -2.028 172.036 174.900 -1.392 0.000 1.330 608 G CA 0.511 45.000 45.100 -1.018 0.000 0.813 608 G HN -0.495 7.525 8.290 -0.449 0.000 0.487 609 N N -2.483 115.583 118.700 -1.056 0.000 2.313 609 N HA 0.007 nan 4.740 nan 0.000 0.207 609 N C -0.977 174.373 175.510 -0.268 0.000 1.141 609 N CA 0.357 52.998 53.050 -0.682 0.000 0.830 609 N CB 0.019 38.458 38.487 -0.080 0.000 1.008 609 N HN 0.294 8.279 8.380 -0.659 0.000 0.481 610 V N -1.684 118.087 119.914 -0.238 0.000 3.040 610 V HA 0.335 nan 4.120 nan 0.000 0.312 610 V C -0.355 175.684 176.094 -0.092 0.000 1.115 610 V CA -1.986 60.255 62.300 -0.099 0.000 0.998 610 V CB 3.961 35.748 31.823 -0.060 0.000 1.042 610 V HN -0.725 7.194 8.190 -0.327 0.075 0.433 611 S N 4.426 120.105 115.700 -0.034 0.000 2.447 611 S HA -0.268 nan 4.470 nan 0.000 0.233 611 S C 2.226 176.807 174.600 -0.031 0.000 1.006 611 S CA 3.540 61.726 58.200 -0.023 0.000 0.957 611 S CB 0.079 63.291 63.200 0.020 0.000 0.773 611 S HN 0.920 9.226 8.310 -0.007 0.000 0.507 612 E N 2.305 122.487 120.200 -0.030 0.000 2.204 612 E HA -0.200 nan 4.350 nan 0.000 0.195 612 E C 0.989 177.559 176.600 -0.050 0.000 0.990 612 E CA 2.620 59.005 56.400 -0.025 0.000 0.821 612 E CB -0.268 29.427 29.700 -0.008 0.000 0.750 612 E HN 0.373 8.678 8.360 -0.026 0.039 0.477 613 L N -3.637 117.527 121.223 -0.098 0.000 2.640 613 L HA 0.121 nan 4.340 nan 0.000 0.230 613 L C -0.268 176.518 176.870 -0.139 0.000 1.123 613 L CA -1.485 53.263 54.840 -0.153 0.000 0.900 613 L CB -0.050 41.871 42.059 -0.230 0.000 1.146 613 L HN -0.518 7.502 8.230 -0.105 0.147 0.484 614 G N -2.126 106.618 108.800 -0.093 0.000 2.176 614 G HA2 -0.439 nan 3.960 nan 0.000 0.232 614 G HA3 -0.439 nan 3.960 nan 0.000 0.232 614 G C -0.269 174.603 174.900 -0.047 0.000 0.986 614 G CA -0.148 44.920 45.100 -0.053 0.000 0.643 614 G HN -0.113 7.940 8.290 -0.078 0.190 0.522 615 N N 0.404 119.029 118.700 -0.125 0.000 2.688 615 N HA -0.485 nan 4.740 nan 0.000 0.258 615 N C -0.081 175.462 175.510 0.054 0.000 1.016 615 N CA 1.309 54.287 53.050 -0.119 0.000 0.747 615 N CB -1.448 37.038 38.487 -0.001 0.000 0.895 615 N HN -0.317 7.903 8.380 -0.175 0.054 0.543 616 W N -7.622 113.732 121.300 0.090 0.000 3.207 616 W HA -0.529 nan 4.660 nan 0.000 0.291 616 W C -0.533 176.104 176.519 0.197 0.000 1.105 616 W CA 0.940 58.378 57.345 0.154 0.000 0.612 616 W CB -1.532 27.974 29.460 0.078 0.000 2.140 616 W HN 0.117 8.074 8.180 -0.372 0.000 1.420 617 D N 0.460 121.028 120.400 0.279 0.000 2.313 617 D HA 0.395 nan 4.640 nan 0.000 0.239 617 D C -0.362 176.010 176.300 0.119 0.000 1.142 617 D CA -3.147 50.971 54.000 0.196 0.000 0.847 617 D CB 0.641 41.504 40.800 0.105 0.000 1.082 617 D HN -0.578 7.725 8.370 0.173 0.171 0.480 618 P HA -0.205 nan 4.420 nan 0.000 0.221 618 P C 1.020 178.220 177.300 -0.167 0.000 1.145 618 P CA 1.704 64.743 63.100 -0.101 0.000 0.795 618 P CB 0.299 31.924 31.700 -0.125 0.000 0.775 619 N N -2.241 116.411 118.700 -0.081 0.000 2.457 619 N HA -0.135 nan 4.740 nan 0.000 0.180 619 N C 0.767 176.240 175.510 -0.061 0.000 1.050 619 N CA 1.794 54.793 53.050 -0.086 0.000 0.906 619 N CB 0.144 38.606 38.487 -0.041 0.000 0.968 619 N HN -0.134 8.462 8.380 -0.022 -0.230 0.445 620 N N -1.759 116.919 118.700 -0.036 0.000 2.282 620 N HA 0.062 nan 4.740 nan 0.000 0.240 620 N C -1.697 173.805 175.510 -0.013 0.000 1.182 620 N CA -0.646 52.396 53.050 -0.013 0.000 0.874 620 N CB 0.715 39.201 38.487 -0.002 0.000 1.126 620 N HN -0.264 7.932 8.380 -0.028 0.167 0.516 621 A N -0.496 122.303 122.820 -0.035 0.000 2.407 621 A HA 0.019 nan 4.320 nan 0.000 0.248 621 A C 0.407 178.040 177.584 0.081 0.000 1.082 621 A CA -0.260 51.772 52.037 -0.008 0.000 0.785 621 A CB 0.960 19.929 19.000 -0.053 0.000 1.020 621 A HN -0.840 7.188 8.150 -0.085 0.071 0.489 622 I N 2.076 122.653 120.570 0.011 0.000 2.421 622 I HA -0.056 nan 4.170 nan 0.000 0.291 622 I C -0.304 175.712 176.117 -0.169 0.000 1.089 622 I CA -1.275 60.002 61.300 -0.039 0.000 1.354 622 I CB -2.465 35.478 38.000 -0.095 0.000 1.413 622 I HN 0.324 8.506 8.210 -0.048 0.000 0.513 623 G N 6.675 115.320 108.800 -0.258 0.000 2.345 623 G HA2 -0.012 nan 3.960 nan 0.000 0.285 623 G HA3 -0.012 nan 3.960 nan 0.000 0.285 623 G C -3.094 171.509 174.900 -0.496 0.000 1.297 623 G CA -0.009 44.629 45.100 -0.771 0.000 0.875 623 G HN -0.659 7.596 8.290 -0.058 0.000 0.506 624 P HA 0.021 nan 4.420 nan 0.000 0.265 624 P C -1.246 175.562 177.300 -0.820 0.000 1.193 624 P CA 0.149 62.632 63.100 -1.029 0.000 0.765 624 P CB 0.282 31.705 31.700 -0.462 0.000 0.823 625 M N 2.241 121.424 119.600 -0.695 0.000 2.167 625 M HA -0.049 nan 4.480 nan 0.000 0.300 625 M C -0.085 176.270 176.300 0.092 0.000 1.171 625 M CA 1.413 56.472 55.300 -0.403 0.000 1.171 625 M CB 1.048 33.609 32.600 -0.065 0.000 1.396 625 M HN -0.052 7.766 8.290 -0.788 0.000 0.466 626 Y N -1.461 118.854 120.300 0.025 0.000 2.432 626 Y HA 0.065 nan 4.550 nan 0.000 0.322 626 Y C -0.285 175.436 175.900 -0.299 0.000 1.246 626 Y CA -1.492 56.463 58.100 -0.242 0.000 1.268 626 Y CB 1.555 39.630 38.460 -0.643 0.000 1.276 626 Y HN 0.592 8.823 8.280 -0.083 0.000 0.499 627 N N -2.181 116.434 118.700 -0.142 0.000 2.498 627 N HA 0.143 nan 4.740 nan 0.000 0.272 627 N C -0.696 174.759 175.510 -0.091 0.000 1.534 627 N CA -0.131 52.785 53.050 -0.223 0.000 0.873 627 N CB -0.216 37.694 38.487 -0.963 0.000 1.415 627 N HN 0.176 8.622 8.380 -0.107 -0.130 0.496 628 Q N -0.910 118.897 119.800 0.011 0.000 2.577 628 Q HA 0.214 nan 4.340 nan 0.000 0.242 628 Q C 0.560 176.503 176.000 -0.096 0.000 0.818 628 Q CA 1.591 57.358 55.803 -0.060 0.000 0.962 628 Q CB 2.372 31.049 28.738 -0.102 0.000 1.272 628 Q HN -0.275 8.310 8.270 0.134 -0.234 0.593 629 V N -1.370 118.461 119.914 -0.138 0.000 2.423 629 V HA -0.032 nan 4.120 nan 0.000 0.233 629 V C 1.081 176.771 176.094 -0.673 0.000 1.067 629 V CA 2.387 64.464 62.300 -0.372 0.000 1.073 629 V CB 0.776 32.341 31.823 -0.430 0.000 0.715 629 V HN -0.302 8.180 8.190 -0.031 -0.311 0.485 630 V N -2.342 116.981 119.914 -0.985 0.000 2.548 630 V HA -0.227 nan 4.120 nan 0.000 0.249 630 V C -0.216 175.125 176.094 -1.255 0.000 1.055 630 V CA 2.102 63.603 62.300 -1.332 0.000 1.065 630 V CB 0.471 31.253 31.823 -1.734 0.000 0.681 630 V HN -0.557 7.129 8.190 -0.839 0.000 0.462 631 Y N -4.923 115.030 120.300 -0.580 0.000 2.562 631 Y HA 0.198 nan 4.550 nan 0.000 0.345 631 Y C -2.027 173.823 175.900 -0.082 0.000 1.045 631 Y CA -2.132 55.821 58.100 -0.246 0.000 1.028 631 Y CB 3.771 42.141 38.460 -0.150 0.000 1.297 631 Y HN -0.498 7.486 8.280 -0.449 0.027 0.463 632 Q N -2.089 117.757 119.800 0.078 0.000 2.301 632 Q HA 0.283 nan 4.340 nan 0.000 0.267 632 Q C -1.045 174.954 176.000 -0.001 0.000 1.035 632 Q CA -1.941 53.874 55.803 0.019 0.000 0.856 632 Q CB 2.152 30.886 28.738 -0.006 0.000 1.337 632 Q HN 0.230 8.558 8.270 0.097 0.000 0.450 633 Y N 5.426 125.607 120.300 -0.198 0.000 2.805 633 Y HA -0.210 nan 4.550 nan 0.000 0.337 633 Y C -1.458 174.386 175.900 -0.093 0.000 1.252 633 Y CA 0.115 58.060 58.100 -0.258 0.000 1.515 633 Y CB 0.314 38.572 38.460 -0.337 0.000 1.305 633 Y HN -0.195 8.095 8.280 0.017 0.000 0.600 634 P HA 0.130 nan 4.420 nan 0.000 0.255 634 P C -1.672 175.509 177.300 -0.200 0.000 1.427 634 P CA -0.165 62.402 63.100 -0.889 0.000 0.863 634 P CB -0.196 30.982 31.700 -0.870 0.000 1.444 635 T N 2.998 117.486 114.554 -0.110 0.000 2.856 635 T HA 0.159 nan 4.350 nan 0.000 0.292 635 T C -0.903 173.856 174.700 0.098 0.000 0.980 635 T CA 1.532 63.656 62.100 0.039 0.000 1.091 635 T CB 0.401 69.285 68.868 0.026 0.000 0.936 635 T HN -0.266 7.715 8.240 -0.138 0.176 0.503 636 W N 4.656 125.964 121.300 0.014 0.000 2.781 636 W HA 0.456 nan 4.660 nan 0.000 0.345 636 W C -1.471 175.130 176.519 0.137 0.000 1.085 636 W CA -1.880 55.516 57.345 0.084 0.000 1.198 636 W CB 3.185 32.639 29.460 -0.010 0.000 1.423 636 W HN 0.601 8.988 8.180 0.345 0.000 0.532 637 Y N -4.810 115.673 120.300 0.305 0.000 2.588 637 Y HA 0.831 nan 4.550 nan 0.000 0.343 637 Y C -3.145 173.005 175.900 0.416 0.000 1.065 637 Y CA -2.534 55.722 58.100 0.259 0.000 1.038 637 Y CB 3.116 41.701 38.460 0.209 0.000 1.297 637 Y HN 0.903 9.180 8.280 0.174 0.108 0.467 638 Y N -1.274 119.167 120.300 0.236 0.000 2.521 638 Y HA 0.095 nan 4.550 nan 0.000 0.328 638 Y C -2.675 173.407 175.900 0.305 0.000 1.151 638 Y CA -0.594 57.572 58.100 0.109 0.000 1.054 638 Y CB 4.129 42.568 38.460 -0.035 0.000 1.338 638 Y HN 0.005 8.622 8.280 0.561 0.000 0.453 639 D N 4.977 125.440 120.400 0.105 0.000 2.274 639 D HA 0.499 nan 4.640 nan 0.000 0.239 639 D C -2.038 174.374 176.300 0.187 0.000 1.104 639 D CA 0.413 54.546 54.000 0.221 0.000 0.840 639 D CB 1.648 42.595 40.800 0.244 0.000 1.100 639 D HN 0.337 8.546 8.370 -0.269 0.000 0.477 640 V N 3.165 123.267 119.914 0.313 0.000 2.638 640 V HA 0.302 nan 4.120 nan 0.000 0.306 640 V C -0.967 175.272 176.094 0.240 0.000 1.052 640 V CA -1.824 60.644 62.300 0.280 0.000 0.885 640 V CB 3.737 35.734 31.823 0.290 0.000 0.999 640 V HN 0.658 9.064 8.190 0.360 0.000 0.424 641 S N 5.268 121.067 115.700 0.165 0.000 2.528 641 S HA 0.503 nan 4.470 nan 0.000 0.277 641 S C -1.107 173.556 174.600 0.105 0.000 1.297 641 S CA 1.043 59.313 58.200 0.118 0.000 1.052 641 S CB 0.662 63.901 63.200 0.064 0.000 0.917 641 S HN 0.258 8.660 8.310 0.153 0.000 0.492 642 V N 6.003 125.981 119.914 0.106 0.000 3.087 642 V HA 0.406 nan 4.120 nan 0.000 0.306 642 V C -2.793 173.344 176.094 0.072 0.000 1.187 642 V CA -3.150 59.211 62.300 0.102 0.000 0.999 642 V CB 4.510 36.443 31.823 0.185 0.000 1.049 642 V HN 0.502 8.753 8.190 0.101 0.000 0.431 643 P HA 0.048 nan 4.420 nan 0.000 0.265 643 P C -2.043 175.277 177.300 0.034 0.000 1.193 643 P CA 0.235 63.355 63.100 0.034 0.000 0.765 643 P CB 0.232 31.948 31.700 0.027 0.000 0.823 644 A N 4.175 127.009 122.820 0.022 0.000 2.289 644 A HA 0.252 nan 4.320 nan 0.000 0.298 644 A C -0.166 177.418 177.584 -0.000 0.000 1.208 644 A CA -0.706 51.341 52.037 0.017 0.000 0.845 644 A CB 0.094 19.104 19.000 0.017 0.000 1.125 644 A HN 0.211 8.371 8.150 0.017 0.000 0.517 645 G N 3.281 112.070 108.800 -0.019 0.000 2.248 645 G HA2 -0.369 nan 3.960 nan 0.000 0.263 645 G HA3 -0.369 nan 3.960 nan 0.000 0.263 645 G C -1.116 173.763 174.900 -0.036 0.000 1.082 645 G CA 0.163 45.242 45.100 -0.036 0.000 0.863 645 G HN -0.108 8.085 8.290 -0.024 0.082 0.495 646 Q N -2.219 117.554 119.800 -0.044 0.000 2.416 646 Q HA 0.295 nan 4.340 nan 0.000 0.281 646 Q C -1.742 174.237 176.000 -0.035 0.000 1.067 646 Q CA -1.655 54.135 55.803 -0.022 0.000 0.809 646 Q CB 3.877 32.618 28.738 0.005 0.000 1.418 646 Q HN 0.064 8.296 8.270 -0.064 0.000 0.411 647 T N 4.633 119.184 114.554 -0.004 0.000 2.743 647 T HA 0.559 nan 4.350 nan 0.000 0.293 647 T C -0.784 173.968 174.700 0.088 0.000 0.945 647 T CA 0.125 62.241 62.100 0.026 0.000 1.030 647 T CB -0.287 68.602 68.868 0.035 0.000 0.912 647 T HN 0.093 8.337 8.240 0.007 0.000 0.483 648 I N 1.546 122.211 120.570 0.159 0.000 2.750 648 I HA 0.752 nan 4.170 nan 0.000 0.308 648 I C -1.803 174.501 176.117 0.312 0.000 1.016 648 I CA -2.781 58.633 61.300 0.190 0.000 1.098 648 I CB 3.067 41.173 38.000 0.177 0.000 1.279 648 I HN 0.632 8.958 8.210 0.193 0.000 0.454 649 E N 0.175 120.529 120.200 0.258 0.000 2.227 649 E HA 0.863 nan 4.350 nan 0.000 0.268 649 E C -1.525 175.239 176.600 0.274 0.000 0.907 649 E CA -1.488 55.097 56.400 0.309 0.000 0.786 649 E CB 3.281 33.203 29.700 0.369 0.000 1.191 649 E HN 0.317 9.167 8.360 0.139 -0.407 0.411 650 F N -2.094 117.933 119.950 0.128 0.000 2.741 650 F HA 0.798 nan 4.527 nan 0.000 0.311 650 F C -2.691 173.193 175.800 0.139 0.000 1.149 650 F CA -1.231 56.751 58.000 -0.031 0.000 0.930 650 F CB 3.012 41.889 39.000 -0.204 0.000 1.312 650 F HN 0.522 8.747 8.300 -0.126 0.000 0.450 651 K N -2.974 117.534 120.400 0.180 0.000 2.533 651 K HA 0.508 nan 4.320 nan 0.000 0.272 651 K C -1.892 174.690 176.600 -0.030 0.000 0.985 651 K CA -1.267 55.072 56.287 0.086 0.000 0.876 651 K CB 5.223 37.925 32.500 0.335 0.000 1.452 651 K HN -0.028 8.368 8.250 0.244 0.000 0.439 652 F N -2.358 117.674 119.950 0.137 0.000 2.461 652 F HA 0.874 nan 4.527 nan 0.000 0.332 652 F C -0.998 174.849 175.800 0.078 0.000 1.073 652 F CA -1.052 57.016 58.000 0.112 0.000 1.017 652 F CB 2.400 41.497 39.000 0.162 0.000 1.301 652 F HN -0.337 8.337 8.300 0.246 -0.227 0.492 653 L N -7.707 113.710 121.223 0.324 0.000 2.775 653 L HA 0.712 nan 4.340 nan 0.000 0.263 653 L C -2.293 174.674 176.870 0.162 0.000 1.017 653 L CA -0.453 54.481 54.840 0.157 0.000 0.891 653 L CB 3.451 45.223 42.059 -0.478 0.000 1.482 653 L HN 0.172 8.635 8.230 0.388 0.000 0.410 654 K N -1.632 118.800 120.400 0.054 0.000 2.207 654 K HA 0.668 nan 4.320 nan 0.000 0.255 654 K C -1.286 175.273 176.600 -0.068 0.000 0.941 654 K CA -1.050 55.211 56.287 -0.043 0.000 0.825 654 K CB 2.795 35.200 32.500 -0.158 0.000 1.119 654 K HN 0.444 8.619 8.250 0.056 0.108 0.430 655 K N 1.584 121.972 120.400 -0.020 0.000 2.443 655 K HA 0.548 nan 4.320 nan 0.000 0.252 655 K C -2.148 174.443 176.600 -0.015 0.000 0.933 655 K CA -0.897 55.315 56.287 -0.126 0.000 0.792 655 K CB 3.426 35.674 32.500 -0.421 0.000 1.185 655 K HN 0.447 8.771 8.250 0.123 0.000 0.425 656 Q N 4.511 124.291 119.800 -0.034 0.000 2.337 656 Q HA 0.348 nan 4.340 nan 0.000 0.264 656 Q C 0.082 176.072 176.000 -0.016 0.000 1.007 656 Q CA -1.609 54.193 55.803 -0.002 0.000 0.727 656 Q CB 2.189 30.926 28.738 -0.001 0.000 1.256 656 Q HN 0.348 8.581 8.270 -0.062 0.000 0.467 657 G N 7.536 116.331 108.800 -0.008 0.000 2.629 657 G HA2 -0.464 nan 3.960 nan 0.000 0.313 657 G HA3 -0.464 nan 3.960 nan 0.000 0.313 657 G C -0.671 174.207 174.900 -0.037 0.000 1.217 657 G CA 1.025 46.117 45.100 -0.013 0.000 0.994 657 G HN 0.644 8.939 8.290 0.009 0.000 0.549 658 S N 3.458 119.140 115.700 -0.030 0.000 2.593 658 S HA 0.117 nan 4.470 nan 0.000 0.217 658 S C -0.219 174.355 174.600 -0.043 0.000 0.966 658 S CA 0.494 58.671 58.200 -0.039 0.000 0.914 658 S CB 0.134 63.322 63.200 -0.020 0.000 0.776 658 S HN 0.210 8.509 8.310 -0.018 0.000 0.523 659 T N 5.458 119.987 114.554 -0.041 0.000 2.799 659 T HA 0.196 nan 4.350 nan 0.000 0.286 659 T C -1.840 172.821 174.700 -0.065 0.000 0.973 659 T CA 0.319 62.401 62.100 -0.030 0.000 1.035 659 T CB 1.466 70.327 68.868 -0.011 0.000 0.932 659 T HN -0.330 7.713 8.240 -0.042 0.172 0.469 660 V N 4.676 124.556 119.914 -0.057 0.000 2.495 660 V HA 0.551 nan 4.120 nan 0.000 0.298 660 V C -0.505 175.564 176.094 -0.042 0.000 1.031 660 V CA -0.944 61.279 62.300 -0.128 0.000 0.871 660 V CB 1.813 33.540 31.823 -0.160 0.000 0.988 660 V HN 0.389 8.572 8.190 -0.012 0.000 0.432 661 T N 8.285 122.811 114.554 -0.048 0.000 2.864 661 T HA 0.408 nan 4.350 nan 0.000 0.310 661 T C -1.114 173.699 174.700 0.189 0.000 1.040 661 T CA -0.568 61.602 62.100 0.117 0.000 0.977 661 T CB 0.563 69.505 68.868 0.123 0.000 0.976 661 T HN 0.454 8.631 8.240 -0.105 0.000 0.459 662 W N 5.585 126.988 121.300 0.171 0.000 2.251 662 W HA 0.067 nan 4.660 nan 0.000 0.329 662 W C -0.321 176.253 176.519 0.092 0.000 1.234 662 W CA -0.640 56.783 57.345 0.130 0.000 1.228 662 W CB 0.699 30.180 29.460 0.034 0.000 1.135 662 W HN 0.352 8.835 8.180 0.506 0.000 0.576 663 E N 1.031 121.274 120.200 0.072 0.000 2.383 663 E HA 0.064 nan 4.350 nan 0.000 0.264 663 E C 0.469 176.998 176.600 -0.118 0.000 1.050 663 E CA -0.515 55.642 56.400 -0.404 0.000 0.896 663 E CB 0.471 29.487 29.700 -1.139 0.000 0.982 663 E HN -0.165 8.268 8.360 0.122 0.000 0.424 664 G N 0.881 109.613 108.800 -0.113 0.000 2.611 664 G HA2 -0.110 nan 3.960 nan 0.000 0.273 664 G HA3 -0.110 nan 3.960 nan 0.000 0.273 664 G C -0.414 174.422 174.900 -0.107 0.000 1.305 664 G CA -0.713 44.349 45.100 -0.063 0.000 1.010 664 G HN -0.326 7.798 8.290 -0.151 0.075 0.509 665 G N -2.966 105.783 108.800 -0.084 0.000 2.728 665 G HA2 -0.279 nan 3.960 nan 0.000 0.294 665 G HA3 -0.279 nan 3.960 nan 0.000 0.294 665 G C -1.390 173.448 174.900 -0.103 0.000 1.342 665 G CA -0.722 44.325 45.100 -0.088 0.000 0.866 665 G HN -0.135 8.115 8.290 -0.068 0.000 0.534 666 A N -0.395 122.369 122.820 -0.093 0.000 2.287 666 A HA 0.159 nan 4.320 nan 0.000 0.273 666 A C -0.651 176.867 177.584 -0.110 0.000 1.091 666 A CA -0.448 51.529 52.037 -0.100 0.000 0.817 666 A CB 0.781 19.738 19.000 -0.073 0.000 1.069 666 A HN 0.165 8.267 8.150 -0.080 0.000 0.492 667 N N -0.149 118.486 118.700 -0.108 0.000 2.454 667 N HA -0.095 nan 4.740 nan 0.000 0.260 667 N C -0.590 174.838 175.510 -0.136 0.000 1.218 667 N CA 0.386 53.386 53.050 -0.083 0.000 0.904 667 N CB 0.282 38.772 38.487 0.005 0.000 1.065 667 N HN 0.019 8.333 8.380 -0.110 0.000 0.462 668 R N 1.754 122.059 120.500 -0.325 0.000 2.615 668 R HA 0.120 nan 4.340 nan 0.000 0.270 668 R C -0.840 175.223 176.300 -0.394 0.000 1.081 668 R CA 0.023 55.846 56.100 -0.463 0.000 1.154 668 R CB 0.898 30.662 30.300 -0.893 0.000 1.063 668 R HN 0.230 8.273 8.270 -0.378 0.000 0.519 669 T N 0.057 114.575 114.554 -0.059 0.000 2.906 669 T HA 0.729 nan 4.350 nan 0.000 0.295 669 T C -1.892 173.126 174.700 0.530 0.000 1.075 669 T CA -1.952 60.275 62.100 0.212 0.000 1.005 669 T CB 1.978 70.924 68.868 0.131 0.000 1.136 669 T HN -0.242 7.996 8.240 -0.003 0.000 0.498 670 F N 4.023 124.182 119.950 0.348 0.000 2.639 670 F HA 0.259 nan 4.527 nan 0.000 0.320 670 F C -2.562 173.333 175.800 0.159 0.000 1.128 670 F CA -0.256 57.909 58.000 0.274 0.000 1.037 670 F CB 2.962 42.163 39.000 0.334 0.000 1.288 670 F HN 0.198 8.777 8.300 0.464 0.000 0.463 671 T N 8.867 123.046 114.554 -0.625 0.000 2.747 671 T HA 0.253 nan 4.350 nan 0.000 0.301 671 T C -0.614 173.582 174.700 -0.839 0.000 0.952 671 T CA -0.256 61.526 62.100 -0.529 0.000 0.983 671 T CB -0.592 68.108 68.868 -0.281 0.000 0.930 671 T HN -0.114 7.777 8.240 -0.581 0.000 0.494 672 T N 6.539 120.785 114.554 -0.512 0.000 2.900 672 T HA 0.191 nan 4.350 nan 0.000 0.307 672 T C -1.096 173.497 174.700 -0.179 0.000 1.065 672 T CA -2.605 59.308 62.100 -0.313 0.000 1.105 672 T CB -0.761 68.083 68.868 -0.040 0.000 0.979 672 T HN 0.433 8.410 8.240 -0.284 0.093 0.544 673 P HA 0.153 nan 4.420 nan 0.000 0.272 673 P C 0.351 177.650 177.300 -0.000 0.000 1.240 673 P CA -0.968 62.120 63.100 -0.019 0.000 0.791 673 P CB 1.250 32.970 31.700 0.033 0.000 0.978 674 T N -6.770 107.786 114.554 0.003 0.000 3.043 674 T HA -0.087 nan 4.350 nan 0.000 0.263 674 T C -0.715 173.998 174.700 0.022 0.000 1.094 674 T CA 0.948 63.053 62.100 0.009 0.000 1.127 674 T CB 0.245 69.115 68.868 0.004 0.000 0.905 674 T HN 0.251 8.492 8.240 0.002 0.000 0.490 675 S N -1.634 114.087 115.700 0.035 0.000 2.537 675 S HA 0.214 nan 4.470 nan 0.000 0.270 675 S C -1.192 173.451 174.600 0.071 0.000 1.142 675 S CA -0.932 57.298 58.200 0.050 0.000 0.870 675 S CB 2.706 65.930 63.200 0.041 0.000 1.112 675 S HN -0.859 7.471 8.310 0.034 0.000 0.466 676 G N 2.267 111.127 108.800 0.100 0.000 2.472 676 G HA2 -0.284 nan 3.960 nan 0.000 0.205 676 G HA3 -0.284 nan 3.960 nan 0.000 0.205 676 G C -2.086 172.901 174.900 0.145 0.000 1.270 676 G CA -0.409 44.763 45.100 0.120 0.000 0.974 676 G HN -0.167 8.187 8.290 0.108 0.000 0.542 677 T N 2.523 117.160 114.554 0.139 0.000 2.942 677 T HA 0.785 nan 4.350 nan 0.000 0.289 677 T C -1.753 173.023 174.700 0.128 0.000 1.044 677 T CA -0.884 61.306 62.100 0.149 0.000 1.023 677 T CB 2.433 71.393 68.868 0.152 0.000 1.123 677 T HN -0.254 8.057 8.240 0.118 0.000 0.512 678 A N 0.119 123.014 122.820 0.125 0.000 2.606 678 A HA 0.383 nan 4.320 nan 0.000 0.293 678 A C -2.701 174.892 177.584 0.016 0.000 1.082 678 A CA -0.482 51.627 52.037 0.120 0.000 0.685 678 A CB 2.505 21.661 19.000 0.259 0.000 1.284 678 A HN -0.064 8.159 8.150 0.123 0.000 0.408 679 T N 0.706 115.239 114.554 -0.034 0.000 2.824 679 T HA 0.667 nan 4.350 nan 0.000 0.282 679 T C -1.008 173.512 174.700 -0.300 0.000 0.993 679 T CA -0.683 61.333 62.100 -0.141 0.000 0.967 679 T CB 1.543 70.396 68.868 -0.026 0.000 0.960 679 T HN -0.198 8.055 8.240 0.022 0.000 0.441 680 V N 2.776 122.392 119.914 -0.497 0.000 2.384 680 V HA 0.525 nan 4.120 nan 0.000 0.287 680 V C -2.102 173.872 176.094 -0.199 0.000 1.020 680 V CA -2.263 59.736 62.300 -0.500 0.000 0.850 680 V CB 1.874 33.225 31.823 -0.787 0.000 0.987 680 V HN 0.763 8.641 8.190 -0.520 0.000 0.436 681 N N 7.274 125.913 118.700 -0.101 0.000 2.443 681 N HA 0.624 nan 4.740 nan 0.000 0.269 681 N C -0.378 175.130 175.510 -0.003 0.000 0.985 681 N CA -0.088 52.926 53.050 -0.060 0.000 0.921 681 N CB 1.931 40.385 38.487 -0.055 0.000 1.195 681 N HN 0.094 8.418 8.380 -0.092 0.000 0.492 682 V N 0.828 120.752 119.914 0.016 0.000 3.156 682 V HA 0.574 nan 4.120 nan 0.000 0.310 682 V C -2.025 174.073 176.094 0.007 0.000 1.234 682 V CA -2.249 60.082 62.300 0.052 0.000 1.065 682 V CB 3.561 35.485 31.823 0.168 0.000 1.088 682 V HN 0.643 8.820 8.190 -0.021 0.000 0.451 683 N N -1.634 117.081 118.700 0.025 0.000 2.238 683 N HA 0.588 nan 4.740 nan 0.000 0.302 683 N C -1.573 173.973 175.510 0.059 0.000 1.072 683 N CA -0.605 52.468 53.050 0.038 0.000 0.792 683 N CB 2.468 40.981 38.487 0.044 0.000 1.425 683 N HN 0.017 8.421 8.380 0.039 0.000 0.478 684 W N 3.733 125.001 121.300 -0.054 0.000 2.417 684 W HA -0.340 nan 4.660 nan 0.000 0.332 684 W C -1.208 175.322 176.519 0.018 0.000 1.413 684 W CA 1.052 58.381 57.345 -0.026 0.000 1.299 684 W CB 0.161 29.596 29.460 -0.041 0.000 1.304 684 W HN 0.379 8.706 8.180 0.244 0.000 0.565 685 Q N 8.243 127.729 119.800 -0.523 0.000 2.337 685 Q HA 0.281 nan 4.340 nan 0.000 0.255 685 Q C -1.852 173.894 176.000 -0.423 0.000 0.997 685 Q CA -2.058 53.549 55.803 -0.327 0.000 0.925 685 Q CB 0.250 28.833 28.738 -0.259 0.000 1.212 685 Q HN -0.226 7.869 8.270 -0.714 -0.253 0.436 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.181 63.100 0.135 0.000 0.800 686 P CB 0.000 31.844 31.700 0.239 0.000 0.726