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 1uks_1_B 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 TDLSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWLL 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 0.000 177.563 177.584 -0.036 0.000 1.274 1 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 1 A CB 0.000 18.968 19.000 -0.054 0.000 0.831 2 P HA 0.204 nan 4.420 nan 0.000 0.274 2 P C 0.022 177.290 177.300 -0.054 0.000 1.246 2 P CA 0.247 63.322 63.100 -0.041 0.000 0.795 2 P CB 0.618 32.293 31.700 -0.042 0.000 1.006 3 D N 0.346 120.720 120.400 -0.043 0.000 2.190 3 D HA -0.170 4.473 4.640 0.005 0.000 0.200 3 D C 1.152 177.407 176.300 -0.076 0.000 0.992 3 D CA 2.137 56.115 54.000 -0.038 0.000 0.854 3 D CB -1.443 39.371 40.800 0.024 0.000 0.936 3 D HN 0.458 nan 8.370 nan 0.000 0.462 4 T N -2.605 111.896 114.554 -0.088 0.000 3.118 4 T HA 0.032 4.385 4.350 0.005 0.000 0.260 4 T C 1.108 175.725 174.700 -0.139 0.000 1.139 4 T CA 0.030 62.055 62.100 -0.124 0.000 1.085 4 T CB -0.244 68.559 68.868 -0.108 0.000 0.934 4 T HN 0.132 nan 8.240 nan 0.000 0.518 5 S N 0.378 116.002 115.700 -0.126 0.000 2.568 5 S HA 0.142 4.615 4.470 0.005 0.000 0.282 5 S C 1.423 175.916 174.600 -0.177 0.000 1.338 5 S CA -0.327 57.794 58.200 -0.131 0.000 1.045 5 S CB 1.082 64.216 63.200 -0.111 0.000 0.873 5 S HN 0.231 nan 8.310 nan 0.000 0.516 6 V N 4.346 124.155 119.914 -0.175 0.000 2.759 6 V HA -0.073 4.050 4.120 0.005 0.000 0.256 6 V C 2.104 178.046 176.094 -0.255 0.000 1.080 6 V CA 2.416 64.586 62.300 -0.216 0.000 1.101 6 V CB -0.731 30.987 31.823 -0.176 0.000 0.698 6 V HN 1.014 nan 8.190 nan 0.000 0.477 7 S N 0.064 115.638 115.700 -0.209 0.000 2.607 7 S HA 0.013 4.486 4.470 0.005 0.000 0.224 7 S C 1.042 175.549 174.600 -0.156 0.000 0.969 7 S CA 0.347 58.432 58.200 -0.192 0.000 0.927 7 S CB -0.678 62.436 63.200 -0.144 0.000 0.772 7 S HN 0.628 nan 8.310 nan 0.000 0.533 8 N N 2.359 120.952 118.700 -0.177 0.000 2.508 8 N HA 0.192 4.935 4.740 0.005 0.000 0.253 8 N C 0.334 175.747 175.510 -0.161 0.000 1.145 8 N CA -0.090 52.870 53.050 -0.151 0.000 0.973 8 N CB 0.380 38.769 38.487 -0.164 0.000 1.305 8 N HN 0.372 nan 8.380 nan 0.000 0.506 9 K N 1.692 122.068 120.400 -0.040 0.000 2.459 9 K HA 0.004 4.327 4.320 0.005 0.000 0.193 9 K C 0.885 177.650 176.600 0.275 0.000 1.030 9 K CA 0.590 56.952 56.287 0.124 0.000 1.026 9 K CB 0.476 33.055 32.500 0.131 0.000 0.809 9 K HN 0.417 nan 8.250 nan 0.000 0.504 10 Q N 0.188 120.078 119.800 0.151 0.000 2.250 10 Q HA 0.095 4.438 4.340 0.005 0.000 0.200 10 Q C -0.101 176.025 176.000 0.210 0.000 0.941 10 Q CA 0.747 56.666 55.803 0.192 0.000 0.872 10 Q CB 0.441 29.239 28.738 0.100 0.000 0.965 10 Q HN 0.127 nan 8.270 nan 0.000 0.480 11 N N -0.715 118.038 118.700 0.089 0.000 2.249 11 N HA 0.252 4.995 4.740 0.005 0.000 0.296 11 N C -1.069 174.366 175.510 -0.125 0.000 1.051 11 N CA -0.323 52.709 53.050 -0.031 0.000 0.815 11 N CB 1.273 39.745 38.487 -0.025 0.000 1.487 11 N HN -0.029 nan 8.380 nan 0.000 0.475 12 F N 0.205 119.765 119.950 -0.651 0.000 2.683 12 F HA 0.197 4.726 4.527 0.004 0.000 0.306 12 F C 1.787 177.323 175.800 -0.440 0.000 1.102 12 F CA -0.210 57.444 58.000 -0.577 0.000 1.244 12 F CB 0.260 38.749 39.000 -0.852 0.000 1.029 12 F HN 0.327 nan 8.300 nan 0.000 0.545 13 S N -0.668 114.893 115.700 -0.232 0.000 2.442 13 S HA -0.183 4.290 4.470 0.005 0.000 0.236 13 S C 2.148 176.550 174.600 -0.331 0.000 1.007 13 S CA 1.795 59.837 58.200 -0.263 0.000 0.965 13 S CB -0.672 62.374 63.200 -0.257 0.000 0.773 13 S HN 0.545 nan 8.310 nan 0.000 0.504 14 T N -0.598 113.758 114.554 -0.331 0.000 3.129 14 T HA 0.105 4.458 4.350 0.005 0.000 0.251 14 T C 0.161 174.722 174.700 -0.233 0.000 1.117 14 T CA -0.053 61.855 62.100 -0.320 0.000 1.034 14 T CB -0.076 68.616 68.868 -0.293 0.000 0.968 14 T HN 0.123 nan 8.240 nan 0.000 0.526 15 D N 0.800 121.079 120.400 -0.201 0.000 2.326 15 D HA 0.526 5.169 4.640 0.005 0.000 0.251 15 D C -0.871 175.389 176.300 -0.067 0.000 1.023 15 D CA -0.477 53.444 54.000 -0.132 0.000 0.966 15 D CB 2.459 43.188 40.800 -0.118 0.000 1.156 15 D HN 0.009 nan 8.370 nan 0.000 0.494 16 V N 1.981 121.884 119.914 -0.017 0.000 2.443 16 V HA 0.309 4.432 4.120 0.005 0.000 0.293 16 V C 0.170 176.331 176.094 0.112 0.000 1.021 16 V CA -0.650 61.663 62.300 0.022 0.000 0.848 16 V CB 1.440 33.257 31.823 -0.010 0.000 0.998 16 V HN 0.355 nan 8.190 nan 0.000 0.424 17 I N 4.669 125.344 120.570 0.177 0.000 2.472 17 I HA 0.334 4.507 4.170 0.005 0.000 0.290 17 I C -0.761 175.551 176.117 0.326 0.000 1.016 17 I CA -0.437 61.035 61.300 0.287 0.000 1.348 17 I CB 0.910 39.118 38.000 0.346 0.000 1.417 17 I HN 0.605 nan 8.210 nan 0.000 0.521 18 Y N 5.916 126.328 120.300 0.187 0.000 2.328 18 Y HA 0.252 4.802 4.550 -0.001 0.000 0.333 18 Y C -0.064 175.924 175.900 0.147 0.000 0.958 18 Y CA -0.559 57.625 58.100 0.139 0.000 1.167 18 Y CB 1.027 39.528 38.460 0.069 0.000 1.151 18 Y HN 0.498 nan 8.280 nan 0.000 0.470 19 Q N 7.249 126.967 119.800 -0.136 0.000 2.314 19 Q HA 0.408 4.751 4.340 0.005 0.000 0.257 19 Q C -1.328 174.508 176.000 -0.273 0.000 0.975 19 Q CA -0.261 55.403 55.803 -0.233 0.000 0.933 19 Q CB 0.539 29.068 28.738 -0.347 0.000 1.195 19 Q HN 0.766 nan 8.270 nan 0.000 0.426 20 I N 3.891 124.290 120.570 -0.285 0.000 2.378 20 I HA 0.239 4.412 4.170 0.005 0.000 0.291 20 I C -0.708 175.213 176.117 -0.327 0.000 0.992 20 I CA -0.791 60.291 61.300 -0.363 0.000 1.154 20 I CB 1.065 38.819 38.000 -0.411 0.000 1.315 20 I HN 0.553 nan 8.210 nan 0.000 0.448 21 F N 4.946 124.541 119.950 -0.591 0.000 2.405 21 F HA 0.158 4.691 4.527 0.009 0.000 0.358 21 F C 1.722 177.308 175.800 -0.357 0.000 1.151 21 F CA 0.030 57.809 58.000 -0.368 0.000 1.161 21 F CB 0.855 39.735 39.000 -0.201 0.000 1.245 21 F HN 0.524 nan 8.300 nan 0.000 0.545 22 T N 1.332 115.702 114.554 -0.306 0.000 2.685 22 T HA -0.309 4.044 4.350 0.005 0.000 0.268 22 T C 1.701 176.349 174.700 -0.087 0.000 1.034 22 T CA 2.105 64.038 62.100 -0.278 0.000 1.149 22 T CB -0.217 68.236 68.868 -0.692 0.000 0.860 22 T HN 0.597 nan 8.240 nan 0.000 0.449 23 D N 0.278 120.693 120.400 0.025 0.000 2.264 23 D HA -0.072 4.571 4.640 0.005 0.000 0.208 23 D C 1.935 178.336 176.300 0.169 0.000 0.966 23 D CA 0.666 54.795 54.000 0.214 0.000 0.864 23 D CB 0.168 41.186 40.800 0.363 0.000 0.933 23 D HN 0.071 nan 8.370 nan 0.000 0.499 24 R N -0.737 119.833 120.500 0.116 0.000 2.393 24 R HA 0.131 4.474 4.340 0.005 0.000 0.244 24 R C 0.652 176.997 176.300 0.075 0.000 0.920 24 R CA -0.128 56.015 56.100 0.071 0.000 1.076 24 R CB -0.287 30.055 30.300 0.070 0.000 1.119 24 R HN 0.282 nan 8.270 nan 0.000 0.524 25 F N 0.055 119.958 119.950 -0.079 0.000 2.394 25 F HA 0.316 4.845 4.527 0.003 0.000 0.269 25 F C 0.269 176.178 175.800 0.182 0.000 1.012 25 F CA 0.194 58.210 58.000 0.027 0.000 1.138 25 F CB 0.322 39.321 39.000 -0.001 0.000 1.140 25 F HN -0.226 nan 8.300 nan 0.000 0.623 26 S N -0.013 115.806 115.700 0.199 0.000 2.614 26 S HA 0.242 4.715 4.470 0.005 0.000 0.275 26 S C -1.830 172.839 174.600 0.114 0.000 1.161 26 S CA -0.746 57.502 58.200 0.080 0.000 0.969 26 S CB 0.853 64.010 63.200 -0.071 0.000 1.059 26 S HN 0.255 nan 8.310 nan 0.000 0.482 27 D N 3.527 123.985 120.400 0.097 0.000 2.435 27 D HA 0.393 5.036 4.640 0.005 0.000 0.230 27 D C 1.184 177.524 176.300 0.067 0.000 1.215 27 D CA 0.030 54.090 54.000 0.101 0.000 0.947 27 D CB 0.442 41.316 40.800 0.123 0.000 1.048 27 D HN 0.670 nan 8.370 nan 0.000 0.512 28 G N 3.179 112.020 108.800 0.067 0.000 2.777 28 G HA2 -0.101 3.862 3.960 0.005 0.000 0.211 28 G HA3 -0.101 3.862 3.960 0.005 0.000 0.211 28 G C 0.602 175.527 174.900 0.043 0.000 1.149 28 G CA -0.255 44.873 45.100 0.046 0.000 0.785 28 G HN 0.457 nan 8.290 nan 0.000 0.536 29 N N -0.326 118.402 118.700 0.046 0.000 2.549 29 N HA 0.356 5.099 4.740 0.005 0.000 0.281 29 N C -2.424 173.091 175.510 0.007 0.000 1.084 29 N CA -1.943 51.123 53.050 0.027 0.000 0.862 29 N CB 2.461 40.968 38.487 0.033 0.000 1.333 29 N HN -0.237 nan 8.380 nan 0.000 0.523 30 P HA 0.112 nan 4.420 nan 0.000 0.231 30 P C 0.723 177.967 177.300 -0.092 0.000 1.168 30 P CA 0.460 63.537 63.100 -0.038 0.000 0.779 30 P CB 0.370 32.060 31.700 -0.017 0.000 0.844 31 A N 1.000 123.780 122.820 -0.066 0.000 2.119 31 A HA -0.142 4.181 4.320 0.005 0.000 0.217 31 A C 1.628 179.150 177.584 -0.102 0.000 1.153 31 A CA 1.388 53.377 52.037 -0.080 0.000 0.692 31 A CB -1.249 17.723 19.000 -0.047 0.000 0.799 31 A HN 0.284 nan 8.150 nan 0.000 0.458 32 N N -0.431 118.210 118.700 -0.099 0.000 2.270 32 N HA 0.027 4.770 4.740 0.005 0.000 0.198 32 N C -0.634 174.763 175.510 -0.189 0.000 1.117 32 N CA -0.304 52.675 53.050 -0.120 0.000 0.845 32 N CB -0.548 37.889 38.487 -0.082 0.000 0.980 32 N HN 0.134 nan 8.380 nan 0.000 0.486 33 N N 2.300 120.849 118.700 -0.251 0.000 2.497 33 N HA 0.242 4.985 4.740 0.005 0.000 0.268 33 N C -2.311 172.904 175.510 -0.492 0.000 1.171 33 N CA -1.207 51.593 53.050 -0.417 0.000 0.948 33 N CB 0.347 38.415 38.487 -0.698 0.000 1.069 33 N HN 0.187 nan 8.380 nan 0.000 0.460 34 P HA 0.005 nan 4.420 nan 0.000 0.269 34 P C -0.098 177.011 177.300 -0.319 0.000 1.211 34 P CA 0.069 62.977 63.100 -0.319 0.000 0.781 34 P CB 0.426 31.937 31.700 -0.315 0.000 0.877 35 T N -2.093 112.373 114.554 -0.147 0.000 2.949 35 T HA 0.662 5.015 4.350 0.005 0.000 0.287 35 T C 0.664 175.394 174.700 0.050 0.000 1.034 35 T CA -0.092 61.958 62.100 -0.083 0.000 1.018 35 T CB 1.314 70.125 68.868 -0.095 0.000 1.135 35 T HN 0.733 nan 8.240 nan 0.000 0.532 36 G N 1.081 109.927 108.800 0.076 0.000 2.583 36 G HA2 -0.101 3.862 3.960 0.005 0.000 0.292 36 G HA3 -0.101 3.862 3.960 0.005 0.000 0.292 36 G C 1.243 176.214 174.900 0.119 0.000 1.203 36 G CA 0.833 45.982 45.100 0.082 0.000 0.987 36 G HN 1.789 nan 8.290 nan 0.000 0.554 37 A N -0.344 122.529 122.820 0.088 0.000 2.070 37 A HA 0.362 4.685 4.320 0.005 0.000 0.220 37 A C 2.773 180.430 177.584 0.122 0.000 1.159 37 A CA 2.919 55.009 52.037 0.088 0.000 0.656 37 A CB -0.710 18.329 19.000 0.065 0.000 0.800 37 A HN 2.225 nan 8.150 nan 0.000 0.453 38 A N -2.194 120.722 122.820 0.161 0.000 2.208 38 A HA 0.434 4.757 4.320 0.005 0.000 0.209 38 A C 0.396 178.176 177.584 0.327 0.000 1.161 38 A CA 0.252 52.428 52.037 0.231 0.000 0.782 38 A CB -0.220 18.905 19.000 0.210 0.000 0.816 38 A HN 0.553 nan 8.150 nan 0.000 0.477 39 F N -0.309 119.692 119.950 0.086 0.000 2.540 39 F HA 0.583 5.114 4.527 0.007 0.000 0.317 39 F C -1.628 174.203 175.800 0.052 0.000 1.104 39 F CA -1.552 56.497 58.000 0.082 0.000 0.913 39 F CB 1.842 40.864 39.000 0.038 0.000 1.170 39 F HN -0.030 nan 8.300 nan 0.000 0.450 40 D N 3.447 123.393 120.400 -0.757 0.000 2.402 40 D HA 0.296 4.939 4.640 0.005 0.000 0.252 40 D C 0.808 176.554 176.300 -0.924 0.000 1.294 40 D CA -0.122 53.497 54.000 -0.635 0.000 0.948 40 D CB 1.421 42.044 40.800 -0.295 0.000 1.202 40 D HN 0.710 nan 8.370 nan 0.000 0.561 41 G N 1.648 109.835 108.800 -1.022 0.000 2.443 41 G HA2 -0.198 3.765 3.960 0.005 0.000 0.219 41 G HA3 -0.198 3.765 3.960 0.005 0.000 0.219 41 G C 1.297 176.068 174.900 -0.215 0.000 1.131 41 G CA 1.007 45.781 45.100 -0.543 0.000 0.775 41 G HN 0.518 nan 8.290 nan 0.000 0.547 42 S N -1.509 114.081 115.700 -0.182 0.000 2.522 42 S HA -0.004 4.469 4.470 0.005 0.000 0.227 42 S C 1.330 175.859 174.600 -0.118 0.000 0.986 42 S CA 0.523 58.659 58.200 -0.107 0.000 0.929 42 S CB -0.600 62.553 63.200 -0.078 0.000 0.769 42 S HN 0.801 nan 8.310 nan 0.000 0.529 43 c N 1.677 120.172 118.600 -0.176 0.000 4.235 43 c HA -0.186 4.387 4.570 0.005 0.000 0.301 43 c C 1.540 175.558 174.090 -0.121 0.000 1.409 43 c CA 0.981 57.214 56.329 -0.159 0.000 2.024 43 c CB -2.880 39.560 42.510 -0.117 0.000 1.286 43 c HN 0.777 nan 8.230 nan 0.000 0.746 44 T N -0.347 114.140 114.554 -0.113 0.000 2.978 44 T HA -0.039 4.314 4.350 0.005 0.000 0.262 44 T C 0.747 175.396 174.700 -0.086 0.000 1.063 44 T CA 1.425 63.475 62.100 -0.082 0.000 1.140 44 T CB -0.172 68.656 68.868 -0.066 0.000 0.886 44 T HN 0.730 nan 8.240 nan 0.000 0.470 45 N N 1.877 120.513 118.700 -0.106 0.000 2.485 45 N HA 0.135 4.878 4.740 0.005 0.000 0.243 45 N C 0.102 175.520 175.510 -0.152 0.000 0.987 45 N CA -0.462 52.530 53.050 -0.098 0.000 0.940 45 N CB 0.710 39.151 38.487 -0.077 0.000 1.122 45 N HN -0.087 nan 8.380 nan 0.000 0.509 46 L N 3.299 124.432 121.223 -0.150 0.000 2.675 46 L HA 0.145 4.488 4.340 0.005 0.000 0.238 46 L C 1.635 178.279 176.870 -0.376 0.000 1.155 46 L CA 0.745 55.443 54.840 -0.236 0.000 0.881 46 L CB -0.556 41.417 42.059 -0.144 0.000 1.008 46 L HN 0.535 nan 8.230 nan 0.000 0.443 47 R N -1.920 118.427 120.500 -0.256 0.000 2.397 47 R HA 0.308 4.651 4.340 0.005 0.000 0.241 47 R C 0.082 176.271 176.300 -0.185 0.000 0.914 47 R CA -0.080 55.905 56.100 -0.191 0.000 1.071 47 R CB 0.622 30.937 30.300 0.025 0.000 1.116 47 R HN 0.196 nan 8.270 nan 0.000 0.524 48 L N -0.498 120.587 121.223 -0.232 0.000 2.335 48 L HA 0.397 4.740 4.340 0.005 0.000 0.268 48 L C -0.373 176.410 176.870 -0.145 0.000 1.016 48 L CA -1.243 53.540 54.840 -0.096 0.000 0.805 48 L CB 0.634 42.670 42.059 -0.038 0.000 1.311 48 L HN -0.087 nan 8.230 nan 0.000 0.456 49 Y N -0.730 119.569 120.300 -0.000 0.000 2.442 49 Y HA -0.002 4.552 4.550 0.005 0.000 0.330 49 Y C 0.873 176.736 175.900 -0.063 0.000 1.129 49 Y CA -0.068 58.078 58.100 0.078 0.000 1.365 49 Y CB 0.820 39.421 38.460 0.234 0.000 1.233 49 Y HN 0.525 nan 8.280 nan 0.000 0.529 50 c N 0.890 119.551 118.600 0.102 0.000 2.780 50 c HA 0.328 4.901 4.570 0.005 0.000 0.267 50 c C 1.755 175.969 174.090 0.207 0.000 1.266 50 c CA 0.476 56.765 56.329 -0.066 0.000 1.709 50 c CB -0.504 41.967 42.510 -0.065 0.000 1.975 50 c HN 1.219 nan 8.230 nan 0.000 0.582 51 G N 0.197 109.256 108.800 0.432 0.000 2.211 51 G HA2 -0.031 3.932 3.960 0.005 0.000 0.201 51 G HA3 -0.031 3.932 3.960 0.005 0.000 0.201 51 G C 0.377 175.428 174.900 0.253 0.000 0.997 51 G CA -0.140 45.215 45.100 0.425 0.000 0.652 51 G HN 0.764 nan 8.290 nan 0.000 0.500 52 G N 0.777 109.714 108.800 0.229 0.000 2.432 52 G HA2 0.540 4.503 3.960 0.005 0.000 0.239 52 G HA3 0.540 4.503 3.960 0.005 0.000 0.239 52 G C -0.024 174.964 174.900 0.147 0.000 1.291 52 G CA 1.106 46.312 45.100 0.176 0.000 0.863 52 G HN 1.008 nan 8.290 nan 0.000 0.560 53 D N -0.413 120.051 120.400 0.107 0.000 2.759 53 D HA 0.223 4.866 4.640 0.005 0.000 0.321 53 D C 0.435 176.804 176.300 0.116 0.000 1.267 53 D CA -0.892 53.121 54.000 0.022 0.000 0.933 53 D CB 0.230 41.053 40.800 0.039 0.000 1.431 53 D HN 0.302 nan 8.370 nan 0.000 0.504 54 W N -0.467 120.903 121.300 0.116 0.000 2.388 54 W HA -0.006 4.656 4.660 0.003 0.000 0.294 54 W C 2.082 178.644 176.519 0.072 0.000 1.212 54 W CA 0.887 58.284 57.345 0.087 0.000 1.271 54 W CB -0.942 28.598 29.460 0.134 0.000 1.126 54 W HN 0.541 nan 8.180 nan 0.000 0.535 55 Q N 0.350 120.315 119.800 0.275 0.000 2.181 55 Q HA -0.088 4.255 4.340 0.005 0.000 0.205 55 Q C 2.348 178.425 176.000 0.129 0.000 0.980 55 Q CA 2.311 58.215 55.803 0.167 0.000 0.862 55 Q CB -0.932 27.880 28.738 0.124 0.000 0.905 55 Q HN 0.173 nan 8.270 nan 0.000 0.429 56 G N -0.019 108.869 108.800 0.147 0.000 2.408 56 G HA2 -0.163 3.800 3.960 0.005 0.000 0.217 56 G HA3 -0.163 3.800 3.960 0.005 0.000 0.217 56 G C 1.381 176.389 174.900 0.181 0.000 1.150 56 G CA 0.806 45.980 45.100 0.124 0.000 0.776 56 G HN 0.422 nan 8.290 nan 0.000 0.542 57 I N 0.312 121.037 120.570 0.259 0.000 2.286 57 I HA -0.048 4.125 4.170 0.005 0.000 0.245 57 I C 2.578 178.774 176.117 0.133 0.000 1.104 57 I CA 0.541 62.000 61.300 0.265 0.000 1.397 57 I CB -0.167 37.950 38.000 0.195 0.000 1.072 57 I HN 0.117 nan 8.210 nan 0.000 0.417 58 I N 1.163 121.788 120.570 0.093 0.000 2.163 58 I HA -0.317 3.856 4.170 0.005 0.000 0.243 58 I C 2.189 178.306 176.117 -0.001 0.000 1.085 58 I CA 1.392 62.709 61.300 0.029 0.000 1.347 58 I CB -0.515 37.513 38.000 0.046 0.000 1.044 58 I HN 0.304 nan 8.210 nan 0.000 0.408 59 N N 0.882 119.587 118.700 0.007 0.000 2.149 59 N HA -0.158 4.585 4.740 0.005 0.000 0.188 59 N C 1.650 177.118 175.510 -0.071 0.000 1.019 59 N CA 1.134 54.161 53.050 -0.039 0.000 0.857 59 N CB -0.240 38.213 38.487 -0.057 0.000 0.997 59 N HN 0.281 nan 8.380 nan 0.000 0.426 60 K N 0.476 120.854 120.400 -0.036 0.000 2.366 60 K HA 0.145 4.468 4.320 0.005 0.000 0.198 60 K C 1.926 178.548 176.600 0.037 0.000 1.044 60 K CA 0.129 56.409 56.287 -0.012 0.000 0.973 60 K CB 0.129 32.705 32.500 0.126 0.000 0.767 60 K HN 0.293 nan 8.250 nan 0.000 0.475 61 I N 0.813 121.363 120.570 -0.033 0.000 2.277 61 I HA -0.218 3.955 4.170 0.005 0.000 0.243 61 I C 1.571 177.522 176.117 -0.276 0.000 1.094 61 I CA 1.074 62.277 61.300 -0.162 0.000 1.393 61 I CB -0.218 37.653 38.000 -0.215 0.000 1.078 61 I HN 0.174 nan 8.210 nan 0.000 0.417 62 N N 0.826 119.392 118.700 -0.223 0.000 2.244 62 N HA -0.199 4.545 4.740 0.005 0.000 0.183 62 N C 1.001 176.469 175.510 -0.069 0.000 1.016 62 N CA 1.339 54.293 53.050 -0.160 0.000 0.866 62 N CB -0.050 38.396 38.487 -0.069 0.000 0.980 62 N HN 0.454 nan 8.380 nan 0.000 0.430 63 D N -0.947 119.420 120.400 -0.055 0.000 2.340 63 D HA 0.102 4.745 4.640 0.005 0.000 0.220 63 D C 1.175 177.479 176.300 0.007 0.000 1.039 63 D CA 0.468 54.452 54.000 -0.028 0.000 0.866 63 D CB -0.078 40.688 40.800 -0.056 0.000 0.913 63 D HN 0.210 nan 8.370 nan 0.000 0.523 64 G N -0.541 108.264 108.800 0.009 0.000 2.176 64 G HA2 -0.400 3.563 3.960 0.005 0.000 0.232 64 G HA3 -0.400 3.563 3.960 0.005 0.000 0.232 64 G C 0.572 175.518 174.900 0.076 0.000 0.986 64 G CA 0.261 45.381 45.100 0.033 0.000 0.643 64 G HN 0.352 nan 8.290 nan 0.000 0.522 65 Y N 0.580 120.882 120.300 0.003 0.000 2.133 65 Y HA 0.198 4.746 4.550 -0.003 0.000 0.287 65 Y C 2.504 178.474 175.900 0.117 0.000 1.134 65 Y CA 2.218 60.372 58.100 0.089 0.000 1.133 65 Y CB -0.187 38.281 38.460 0.014 0.000 0.987 65 Y HN 0.208 nan 8.280 nan 0.000 0.502 66 L N -0.094 121.125 121.223 -0.007 0.000 2.109 66 L HA -0.119 4.224 4.340 0.005 0.000 0.207 66 L C 2.669 179.433 176.870 -0.178 0.000 1.086 66 L CA 2.367 57.105 54.840 -0.170 0.000 0.760 66 L CB -1.672 40.346 42.059 -0.068 0.000 0.910 66 L HN 0.508 nan 8.230 nan 0.000 0.437 67 T N -4.246 110.254 114.554 -0.090 0.000 2.904 67 T HA -0.046 4.307 4.350 0.005 0.000 0.267 67 T C 1.948 176.608 174.700 -0.067 0.000 1.059 67 T CA 0.825 62.888 62.100 -0.061 0.000 1.137 67 T CB -0.880 67.987 68.868 -0.002 0.000 0.879 67 T HN 0.288 nan 8.240 nan 0.000 0.467 68 G N 0.700 109.479 108.800 -0.035 0.000 2.471 68 G HA2 -0.056 3.907 3.960 0.005 0.000 0.219 68 G HA3 -0.056 3.907 3.960 0.005 0.000 0.219 68 G C 1.481 176.333 174.900 -0.080 0.000 1.125 68 G CA 0.509 45.624 45.100 0.025 0.000 0.775 68 G HN 0.495 nan 8.290 nan 0.000 0.548 69 M N 0.038 119.431 119.600 -0.345 0.000 2.492 69 M HA 0.195 4.678 4.480 0.005 0.000 0.262 69 M C 1.792 177.866 176.300 -0.377 0.000 1.090 69 M CA 1.080 55.952 55.300 -0.714 0.000 1.110 69 M CB 0.258 32.305 32.600 -0.922 0.000 1.407 69 M HN 0.368 nan 8.290 nan 0.000 0.470 70 G N 1.144 109.808 108.800 -0.226 0.000 2.141 70 G HA2 -0.189 3.774 3.960 0.005 0.000 0.231 70 G HA3 -0.189 3.774 3.960 0.005 0.000 0.231 70 G C -0.002 174.821 174.900 -0.128 0.000 0.984 70 G CA -0.295 44.715 45.100 -0.150 0.000 0.660 70 G HN 0.357 nan 8.290 nan 0.000 0.525 71 I N 1.975 122.458 120.570 -0.146 0.000 2.648 71 I HA 0.263 4.436 4.170 0.005 0.000 0.284 71 I C 1.783 177.874 176.117 -0.043 0.000 1.153 71 I CA 1.483 62.734 61.300 -0.081 0.000 1.426 71 I CB 0.941 38.862 38.000 -0.131 0.000 1.381 71 I HN 0.393 nan 8.210 nan 0.000 0.571 72 T N 1.841 116.388 114.554 -0.011 0.000 3.091 72 T HA 0.655 5.008 4.350 0.005 0.000 0.277 72 T C 0.126 174.840 174.700 0.023 0.000 0.996 72 T CA -0.076 62.012 62.100 -0.020 0.000 0.897 72 T CB 0.292 69.116 68.868 -0.073 0.000 1.109 72 T HN 0.700 nan 8.240 nan 0.000 0.534 73 A N 0.541 123.427 122.820 0.110 0.000 2.574 73 A HA 0.799 5.122 4.320 0.005 0.000 0.297 73 A C -1.797 175.941 177.584 0.257 0.000 1.062 73 A CA -0.810 51.357 52.037 0.215 0.000 0.686 73 A CB 1.383 20.609 19.000 0.377 0.000 1.285 73 A HN 0.375 nan 8.150 nan 0.000 0.403 74 I N 1.133 121.864 120.570 0.268 0.000 2.509 74 I HA 0.618 4.791 4.170 0.005 0.000 0.293 74 I C -1.472 174.853 176.117 0.345 0.000 1.020 74 I CA -0.186 61.271 61.300 0.262 0.000 1.088 74 I CB 1.757 39.842 38.000 0.141 0.000 1.267 74 I HN 0.762 nan 8.210 nan 0.000 0.430 75 W N 9.606 130.983 121.300 0.128 0.000 2.475 75 W HA 0.644 5.310 4.660 0.010 0.000 0.320 75 W C -1.383 175.145 176.519 0.016 0.000 1.022 75 W CA -1.597 55.809 57.345 0.102 0.000 1.240 75 W CB 0.768 30.326 29.460 0.162 0.000 1.328 75 W HN 0.337 nan 8.180 nan 0.000 0.439 76 I N 2.384 123.104 120.570 0.249 0.000 2.863 76 I HA 0.656 4.829 4.170 0.005 0.000 0.311 76 I C 0.425 176.510 176.117 -0.053 0.000 1.026 76 I CA -0.983 60.317 61.300 0.000 0.000 1.077 76 I CB 1.675 39.705 38.000 0.050 0.000 1.262 76 I HN 0.161 nan 8.210 nan 0.000 0.461 77 S N 1.853 117.386 115.700 -0.279 0.000 2.566 77 S HA -0.044 4.429 4.470 0.005 0.000 0.280 77 S C 0.013 174.530 174.600 -0.138 0.000 1.343 77 S CA -0.285 57.686 58.200 -0.382 0.000 1.036 77 S CB 0.267 63.141 63.200 -0.544 0.000 0.866 77 S HN 0.727 nan 8.310 nan 0.000 0.526 78 Q N 3.162 122.853 119.800 -0.183 0.000 2.269 78 Q HA -0.020 4.323 4.340 0.005 0.000 0.300 78 Q C -1.519 174.492 176.000 0.018 0.000 1.070 78 Q CA -0.931 54.811 55.803 -0.101 0.000 0.957 78 Q CB 0.576 29.217 28.738 -0.162 0.000 1.131 78 Q HN 0.347 nan 8.270 nan 0.000 0.377 79 P HA -0.027 nan 4.420 nan 0.000 0.245 79 P C 0.364 177.720 177.300 0.092 0.000 1.206 79 P CA 0.276 63.479 63.100 0.172 0.000 0.781 79 P CB -0.013 31.515 31.700 -0.287 0.000 0.994 80 V N -1.527 118.336 119.914 -0.085 0.000 3.003 80 V HA 0.251 4.374 4.120 0.005 0.000 0.305 80 V C 0.427 176.477 176.094 -0.074 0.000 1.078 80 V CA -0.934 61.377 62.300 0.019 0.000 1.083 80 V CB 0.301 32.088 31.823 -0.060 0.000 1.039 80 V HN -0.038 nan 8.190 nan 0.000 0.481 81 E N 2.961 123.136 120.200 -0.041 0.000 2.417 81 E HA 0.104 4.457 4.350 0.005 0.000 0.261 81 E C -0.161 176.302 176.600 -0.230 0.000 1.000 81 E CA 0.053 56.374 56.400 -0.131 0.000 0.919 81 E CB 0.270 29.945 29.700 -0.040 0.000 0.955 81 E HN 0.883 nan 8.360 nan 0.000 0.455 82 N N 3.105 121.605 118.700 -0.334 0.000 2.483 82 N HA 0.294 5.037 4.740 0.005 0.000 0.285 82 N C 0.022 175.281 175.510 -0.419 0.000 1.210 82 N CA -0.757 52.124 53.050 -0.280 0.000 0.931 82 N CB 1.005 39.359 38.487 -0.222 0.000 1.220 82 N HN 0.458 nan 8.380 nan 0.000 0.542 83 I N -0.777 119.686 120.570 -0.178 0.000 2.813 83 I HA -0.031 4.142 4.170 0.005 0.000 0.287 83 I C 0.075 176.038 176.117 -0.258 0.000 1.196 83 I CA 0.049 61.254 61.300 -0.158 0.000 1.421 83 I CB 0.197 38.190 38.000 -0.012 0.000 1.365 83 I HN 0.601 nan 8.210 nan 0.000 0.591 84 Y N 2.414 122.725 120.300 0.018 0.000 2.482 84 Y HA 0.119 4.672 4.550 0.005 0.000 0.270 84 Y C 1.501 177.418 175.900 0.028 0.000 1.152 84 Y CA -0.090 58.017 58.100 0.011 0.000 1.292 84 Y CB -0.257 38.179 38.460 -0.040 0.000 1.070 84 Y HN 0.585 nan 8.280 nan 0.000 0.528 85 S N 0.617 116.387 115.700 0.118 0.000 2.558 85 S HA 0.163 4.636 4.470 0.005 0.000 0.288 85 S C -0.029 174.614 174.600 0.072 0.000 1.318 85 S CA -0.482 57.741 58.200 0.038 0.000 1.056 85 S CB 1.077 64.217 63.200 -0.100 0.000 0.853 85 S HN -0.047 nan 8.310 nan 0.000 0.505 86 V N 4.303 124.247 119.914 0.050 0.000 2.370 86 V HA 0.357 4.480 4.120 0.005 0.000 0.279 86 V C 0.082 176.173 176.094 -0.005 0.000 1.029 86 V CA -0.419 61.928 62.300 0.078 0.000 0.870 86 V CB 0.591 32.463 31.823 0.083 0.000 0.984 86 V HN 0.713 nan 8.190 nan 0.000 0.451 87 I N 4.655 125.218 120.570 -0.013 0.000 2.392 87 I HA 0.379 4.552 4.170 0.005 0.000 0.295 87 I C 0.184 176.212 176.117 -0.148 0.000 0.985 87 I CA -0.354 60.835 61.300 -0.185 0.000 1.221 87 I CB 1.467 39.250 38.000 -0.361 0.000 1.366 87 I HN 0.540 nan 8.210 nan 0.000 0.467 88 N N 6.110 124.712 118.700 -0.162 0.000 2.469 88 N HA 0.229 4.972 4.740 0.005 0.000 0.253 88 N C -1.745 173.701 175.510 -0.107 0.000 0.970 88 N CA -0.330 52.681 53.050 -0.065 0.000 0.940 88 N CB 0.802 39.286 38.487 -0.004 0.000 1.128 88 N HN 0.341 nan 8.380 nan 0.000 0.503 89 Y N 1.772 122.143 120.300 0.119 0.000 2.402 89 Y HA 0.175 4.728 4.550 0.005 0.000 0.332 89 Y C 0.784 176.722 175.900 0.064 0.000 0.960 89 Y CA -0.602 57.555 58.100 0.094 0.000 1.228 89 Y CB 1.003 39.526 38.460 0.105 0.000 1.120 89 Y HN 0.502 nan 8.280 nan 0.000 0.491 90 S N 2.346 118.154 115.700 0.180 0.000 3.631 90 S HA -0.188 4.285 4.470 0.005 0.000 0.366 90 S C 1.340 175.992 174.600 0.087 0.000 0.993 90 S CA 1.121 59.387 58.200 0.110 0.000 1.167 90 S CB -1.515 61.746 63.200 0.102 0.000 0.909 90 S HN 1.570 nan 8.310 nan 0.000 0.478 91 G N -2.021 106.826 108.800 0.078 0.000 2.199 91 G HA2 -0.273 3.690 3.960 0.005 0.000 0.254 91 G HA3 -0.273 3.690 3.960 0.005 0.000 0.254 91 G C 0.046 174.988 174.900 0.070 0.000 0.982 91 G CA -0.067 45.069 45.100 0.060 0.000 0.632 91 G HN 1.409 nan 8.290 nan 0.000 0.529 92 V N 1.759 121.735 119.914 0.102 0.000 2.370 92 V HA 0.509 4.632 4.120 0.005 0.000 0.279 92 V C 0.101 176.272 176.094 0.129 0.000 1.029 92 V CA -1.435 60.930 62.300 0.108 0.000 0.870 92 V CB 1.504 33.401 31.823 0.123 0.000 0.984 92 V HN 0.277 nan 8.190 nan 0.000 0.451 93 N N 4.013 122.772 118.700 0.099 0.000 2.530 93 N HA 0.331 5.074 4.740 0.005 0.000 0.273 93 N C -0.440 175.160 175.510 0.150 0.000 1.173 93 N CA 0.075 53.186 53.050 0.102 0.000 0.967 93 N CB 0.623 39.155 38.487 0.076 0.000 1.109 93 N HN 0.718 nan 8.380 nan 0.000 0.453 94 N N -0.317 118.503 118.700 0.199 0.000 2.235 94 N HA 0.390 5.133 4.740 0.005 0.000 0.293 94 N C -0.781 174.911 175.510 0.304 0.000 1.083 94 N CA -0.398 52.832 53.050 0.299 0.000 0.801 94 N CB 2.248 41.065 38.487 0.550 0.000 1.559 94 N HN 0.553 nan 8.380 nan 0.000 0.472 95 T N -2.564 112.111 114.554 0.202 0.000 2.888 95 T HA 0.571 4.924 4.350 0.005 0.000 0.288 95 T C 0.455 174.976 174.700 -0.297 0.000 1.063 95 T CA -0.728 61.463 62.100 0.151 0.000 1.010 95 T CB 1.585 70.555 68.868 0.171 0.000 1.214 95 T HN 0.352 nan 8.240 nan 0.000 0.533 96 A N 0.342 122.972 122.820 -0.318 0.000 2.416 96 A HA 0.265 4.588 4.320 0.005 0.000 0.252 96 A C 1.325 178.246 177.584 -1.104 0.000 1.353 96 A CA -0.132 51.424 52.037 -0.801 0.000 0.996 96 A CB -1.750 17.171 19.000 -0.132 0.000 0.961 96 A HN 0.951 nan 8.150 nan 0.000 0.523 97 Y N -0.043 119.447 120.300 -1.350 0.000 2.241 97 Y HA -0.344 4.209 4.550 0.005 0.000 0.286 97 Y C 1.867 177.463 175.900 -0.506 0.000 1.166 97 Y CA 1.807 59.154 58.100 -1.255 0.000 1.203 97 Y CB -1.046 36.872 38.460 -0.903 0.000 0.977 97 Y HN 0.636 nan 8.280 nan 0.000 0.529 98 H N -1.146 117.126 119.070 -1.330 0.000 2.547 98 H HA 0.321 4.880 4.556 0.004 0.000 0.272 98 H C 2.010 176.786 175.328 -0.920 0.000 0.989 98 H CA -0.181 55.248 56.048 -1.031 0.000 1.214 98 H CB -0.662 28.578 29.762 -0.871 0.000 1.389 98 H HN 0.488 nan 8.280 nan 0.000 0.577 99 G N -0.032 108.497 108.800 -0.453 0.000 2.205 99 G HA2 -0.408 3.555 3.960 0.005 0.000 0.261 99 G HA3 -0.408 3.555 3.960 0.005 0.000 0.261 99 G C 0.642 175.366 174.900 -0.294 0.000 0.980 99 G CA 0.504 45.410 45.100 -0.323 0.000 0.632 99 G HN 0.526 nan 8.290 nan 0.000 0.533 100 Y N -1.066 119.256 120.300 0.036 0.000 2.632 100 Y HA 0.258 4.810 4.550 0.003 0.000 0.301 100 Y C 1.113 177.212 175.900 0.331 0.000 1.172 100 Y CA 0.223 58.353 58.100 0.049 0.000 1.328 100 Y CB 0.113 38.478 38.460 -0.159 0.000 1.016 100 Y HN 0.380 nan 8.280 nan 0.000 0.529 101 W N 1.177 122.603 121.300 0.210 0.000 2.101 101 W HA 0.674 5.339 4.660 0.008 0.000 0.301 101 W C -0.035 176.468 176.519 -0.027 0.000 0.846 101 W CA -2.125 55.302 57.345 0.137 0.000 1.823 101 W CB -0.453 29.077 29.460 0.117 0.000 2.007 101 W HN -0.200 nan 8.180 nan 0.000 0.373 102 A N 2.157 125.027 122.820 0.084 0.000 2.425 102 A HA 0.479 4.802 4.320 0.005 0.000 0.249 102 A C 1.332 178.838 177.584 -0.130 0.000 1.084 102 A CA -0.103 51.789 52.037 -0.242 0.000 0.781 102 A CB 0.599 19.066 19.000 -0.889 0.000 1.019 102 A HN 0.648 nan 8.150 nan 0.000 0.490 103 R N 0.354 120.781 120.500 -0.122 0.000 2.435 103 R HA 0.278 4.621 4.340 0.005 0.000 0.221 103 R C -0.786 175.605 176.300 0.152 0.000 0.885 103 R CA 0.143 56.292 56.100 0.082 0.000 1.018 103 R CB 0.588 30.968 30.300 0.133 0.000 1.259 103 R HN 0.509 nan 8.270 nan 0.000 0.597 104 D N -0.007 120.400 120.400 0.012 0.000 2.616 104 D HA 0.169 4.812 4.640 0.005 0.000 0.238 104 D C -0.632 175.759 176.300 0.151 0.000 1.354 104 D CA -0.729 53.397 54.000 0.209 0.000 0.970 104 D CB 1.067 41.998 40.800 0.218 0.000 1.369 104 D HN -0.010 nan 8.370 nan 0.000 0.585 105 F N 1.841 122.026 119.950 0.392 0.000 2.802 105 F HA 0.146 4.676 4.527 0.005 0.000 0.300 105 F C 2.018 178.084 175.800 0.443 0.000 1.168 105 F CA 0.542 58.761 58.000 0.365 0.000 1.433 105 F CB 0.346 39.511 39.000 0.275 0.000 1.115 105 F HN 0.132 nan 8.300 nan 0.000 0.582 106 K N -0.300 120.364 120.400 0.440 0.000 2.387 106 K HA 0.183 4.506 4.320 0.005 0.000 0.203 106 K C 0.283 176.982 176.600 0.165 0.000 1.030 106 K CA 0.106 56.535 56.287 0.237 0.000 1.099 106 K CB 0.694 33.292 32.500 0.163 0.000 0.863 106 K HN 0.136 nan 8.250 nan 0.000 0.529 107 K N 0.923 121.474 120.400 0.252 0.000 2.352 107 K HA 0.257 4.580 4.320 0.005 0.000 0.240 107 K C -0.081 176.697 176.600 0.298 0.000 1.017 107 K CA -0.618 55.785 56.287 0.193 0.000 0.851 107 K CB 1.892 34.475 32.500 0.138 0.000 1.261 107 K HN -0.041 nan 8.250 nan 0.000 0.451 108 T N -1.482 113.237 114.554 0.275 0.000 2.902 108 T HA 0.174 4.527 4.350 0.005 0.000 0.280 108 T C 0.178 174.951 174.700 0.120 0.000 0.992 108 T CA -0.843 61.463 62.100 0.343 0.000 1.015 108 T CB 0.802 69.960 68.868 0.483 0.000 1.044 108 T HN 0.445 nan 8.240 nan 0.000 0.520 109 N N 2.465 121.156 118.700 -0.014 0.000 2.401 109 N HA 0.179 4.922 4.740 0.005 0.000 0.255 109 N C -1.350 173.990 175.510 -0.283 0.000 1.110 109 N CA -2.441 50.447 53.050 -0.269 0.000 0.949 109 N CB 0.974 39.096 38.487 -0.608 0.000 1.110 109 N HN 0.370 nan 8.380 nan 0.000 0.490 110 P HA -0.120 nan 4.420 nan 0.000 0.223 110 P C 0.719 177.901 177.300 -0.196 0.000 1.144 110 P CA 0.773 63.807 63.100 -0.111 0.000 0.783 110 P CB 0.229 31.916 31.700 -0.022 0.000 0.771 111 A N -1.087 121.541 122.820 -0.319 0.000 2.014 111 A HA -0.149 4.174 4.320 0.005 0.000 0.218 111 A C 1.925 179.398 177.584 -0.186 0.000 1.163 111 A CA 0.965 52.816 52.037 -0.309 0.000 0.652 111 A CB -1.306 17.384 19.000 -0.517 0.000 0.808 111 A HN 0.068 nan 8.150 nan 0.000 0.449 112 Y N -0.662 119.367 120.300 -0.452 0.000 2.314 112 Y HA 0.375 4.928 4.550 0.006 0.000 0.294 112 Y C 1.574 176.955 175.900 -0.865 0.000 1.119 112 Y CA 0.128 57.716 58.100 -0.853 0.000 1.179 112 Y CB -0.623 36.956 38.460 -1.468 0.000 1.025 112 Y HN 0.418 nan 8.280 nan 0.000 0.541 113 G N -1.063 107.476 108.800 -0.435 0.000 2.359 113 G HA2 0.290 4.253 3.960 0.005 0.000 0.293 113 G HA3 0.290 4.253 3.960 0.005 0.000 0.293 113 G C -0.667 174.347 174.900 0.191 0.000 1.300 113 G CA -0.506 44.594 45.100 0.001 0.000 0.888 113 G HN 0.172 nan 8.290 nan 0.000 0.541 114 T N -2.302 112.441 114.554 0.314 0.000 2.849 114 T HA 0.484 4.837 4.350 0.005 0.000 0.276 114 T C 1.611 176.581 174.700 0.449 0.000 0.971 114 T CA 0.469 62.748 62.100 0.298 0.000 0.949 114 T CB 1.278 70.259 68.868 0.189 0.000 1.093 114 T HN 0.688 nan 8.240 nan 0.000 0.545 115 M N 0.345 120.132 119.600 0.312 0.000 2.213 115 M HA -0.017 4.466 4.480 0.005 0.000 0.263 115 M C 2.150 178.615 176.300 0.276 0.000 1.062 115 M CA 1.649 57.120 55.300 0.286 0.000 1.105 115 M CB -1.020 31.666 32.600 0.144 0.000 1.385 115 M HN 0.736 nan 8.290 nan 0.000 0.417 116 Q N -0.175 119.755 119.800 0.217 0.000 2.187 116 Q HA -0.091 4.252 4.340 0.005 0.000 0.199 116 Q C 1.655 177.770 176.000 0.192 0.000 0.957 116 Q CA 1.493 57.395 55.803 0.165 0.000 0.857 116 Q CB -0.220 28.590 28.738 0.119 0.000 0.929 116 Q HN 0.479 nan 8.270 nan 0.000 0.453 117 D N -0.301 120.268 120.400 0.283 0.000 2.178 117 D HA -0.142 4.501 4.640 0.005 0.000 0.202 117 D C 1.412 177.889 176.300 0.295 0.000 0.974 117 D CA 0.731 54.927 54.000 0.326 0.000 0.841 117 D CB -0.174 40.913 40.800 0.478 0.000 0.953 117 D HN 0.190 nan 8.370 nan 0.000 0.478 118 F N 1.585 121.623 119.950 0.148 0.000 2.113 118 F HA -0.168 4.362 4.527 0.005 0.000 0.297 118 F C 2.203 177.917 175.800 -0.143 0.000 1.103 118 F CA 1.256 59.103 58.000 -0.256 0.000 1.248 118 F CB 0.194 39.053 39.000 -0.236 0.000 0.999 118 F HN -0.246 nan 8.300 nan 0.000 0.475 119 K N 0.669 121.104 120.400 0.057 0.000 2.032 119 K HA -0.205 4.118 4.320 0.005 0.000 0.209 119 K C 1.607 178.135 176.600 -0.119 0.000 1.048 119 K CA 1.875 58.141 56.287 -0.034 0.000 0.927 119 K CB -0.477 32.050 32.500 0.046 0.000 0.712 119 K HN 0.203 nan 8.250 nan 0.000 0.441 120 N N 0.340 119.008 118.700 -0.054 0.000 2.223 120 N HA -0.144 4.599 4.740 0.005 0.000 0.185 120 N C 1.510 176.951 175.510 -0.115 0.000 1.016 120 N CA 0.726 53.747 53.050 -0.049 0.000 0.863 120 N CB -0.255 38.243 38.487 0.019 0.000 0.983 120 N HN 0.072 nan 8.380 nan 0.000 0.429 121 L N 0.779 121.877 121.223 -0.208 0.000 2.027 121 L HA -0.023 4.320 4.340 0.005 0.000 0.206 121 L C 1.772 178.414 176.870 -0.379 0.000 1.074 121 L CA 1.343 56.011 54.840 -0.286 0.000 0.745 121 L CB -0.481 41.305 42.059 -0.454 0.000 0.898 121 L HN 0.021 nan 8.230 nan 0.000 0.433 122 I N 0.059 120.305 120.570 -0.540 0.000 2.163 122 I HA -0.280 3.893 4.170 0.005 0.000 0.243 122 I C 2.186 177.983 176.117 -0.534 0.000 1.085 122 I CA 1.442 62.377 61.300 -0.609 0.000 1.347 122 I CB -1.449 36.223 38.000 -0.546 0.000 1.044 122 I HN 0.334 nan 8.210 nan 0.000 0.408 123 D N 0.427 120.658 120.400 -0.281 0.000 2.097 123 D HA -0.116 4.527 4.640 0.005 0.000 0.197 123 D C 2.191 178.463 176.300 -0.047 0.000 0.984 123 D CA 1.562 55.485 54.000 -0.127 0.000 0.826 123 D CB -0.318 40.450 40.800 -0.054 0.000 0.973 123 D HN 0.265 nan 8.370 nan 0.000 0.460 124 T N 0.753 115.287 114.554 -0.033 0.000 2.788 124 T HA -0.084 4.269 4.350 0.005 0.000 0.268 124 T C 2.002 176.782 174.700 0.133 0.000 1.044 124 T CA 1.353 63.501 62.100 0.080 0.000 1.139 124 T CB -0.210 68.674 68.868 0.028 0.000 0.867 124 T HN 0.181 nan 8.240 nan 0.000 0.454 125 A N 1.471 124.286 122.820 -0.008 0.000 1.873 125 A HA -0.156 4.167 4.320 0.005 0.000 0.215 125 A C 2.104 179.781 177.584 0.154 0.000 1.186 125 A CA 1.472 53.528 52.037 0.031 0.000 0.616 125 A CB -0.813 18.149 19.000 -0.063 0.000 0.823 125 A HN 0.455 nan 8.150 nan 0.000 0.442 126 H N -0.080 118.995 119.070 0.008 0.000 2.353 126 H HA 0.029 4.588 4.556 0.005 0.000 0.300 126 H C 2.450 177.769 175.328 -0.014 0.000 1.090 126 H CA 1.079 57.120 56.048 -0.010 0.000 1.327 126 H CB -0.804 28.943 29.762 -0.025 0.000 1.383 126 H HN 0.484 nan 8.280 nan 0.000 0.508 127 A N 0.546 123.437 122.820 0.119 0.000 2.076 127 A HA -0.169 4.154 4.320 0.005 0.000 0.220 127 A C 1.269 178.750 177.584 -0.171 0.000 1.160 127 A CA 1.356 53.373 52.037 -0.032 0.000 0.653 127 A CB -0.427 18.535 19.000 -0.064 0.000 0.801 127 A HN 0.521 nan 8.150 nan 0.000 0.455 128 H N -0.589 118.490 119.070 0.016 0.000 2.486 128 H HA 0.117 4.677 4.556 0.006 0.000 0.284 128 H C -0.201 175.122 175.328 -0.008 0.000 1.103 128 H CA -0.131 55.916 56.048 -0.000 0.000 1.089 128 H CB 0.039 29.800 29.762 -0.002 0.000 1.603 128 H HN 0.481 nan 8.280 nan 0.000 0.557 129 N N 1.054 119.789 118.700 0.058 0.000 2.727 129 N HA -0.189 4.554 4.740 0.005 0.000 0.249 129 N C -0.427 175.091 175.510 0.012 0.000 1.048 129 N CA 0.687 53.741 53.050 0.006 0.000 0.714 129 N CB -1.387 37.080 38.487 -0.033 0.000 0.959 129 N HN 0.481 nan 8.380 nan 0.000 0.544 130 I N 0.672 121.283 120.570 0.070 0.000 2.406 130 I HA 0.202 4.375 4.170 0.005 0.000 0.290 130 I C 0.578 176.774 176.117 0.131 0.000 0.999 130 I CA -0.594 60.748 61.300 0.070 0.000 1.124 130 I CB 1.529 39.569 38.000 0.068 0.000 1.289 130 I HN -0.181 nan 8.210 nan 0.000 0.441 131 K N 4.407 124.863 120.400 0.093 0.000 2.154 131 K HA 0.575 4.898 4.320 0.005 0.000 0.264 131 K C -0.926 175.823 176.600 0.248 0.000 1.008 131 K CA -0.557 55.829 56.287 0.165 0.000 0.937 131 K CB 1.670 34.181 32.500 0.019 0.000 1.002 131 K HN 0.269 nan 8.250 nan 0.000 0.469 132 V N 3.949 124.026 119.914 0.271 0.000 2.448 132 V HA 0.384 4.507 4.120 0.005 0.000 0.295 132 V C -0.285 175.962 176.094 0.255 0.000 1.025 132 V CA -0.749 61.665 62.300 0.189 0.000 0.859 132 V CB 1.234 33.066 31.823 0.016 0.000 0.988 132 V HN 0.597 nan 8.190 nan 0.000 0.431 133 I N 5.836 126.562 120.570 0.260 0.000 2.493 133 I HA 0.570 4.743 4.170 0.005 0.000 0.298 133 I C -0.268 175.959 176.117 0.183 0.000 0.998 133 I CA -0.664 60.757 61.300 0.200 0.000 1.137 133 I CB 1.889 39.997 38.000 0.179 0.000 1.310 133 I HN 0.610 nan 8.210 nan 0.000 0.445 134 I N 0.966 121.599 120.570 0.105 0.000 2.603 134 I HA 0.556 4.729 4.170 0.005 0.000 0.300 134 I C -0.699 175.447 176.117 0.049 0.000 1.017 134 I CA -0.885 60.476 61.300 0.102 0.000 1.098 134 I CB 1.562 39.580 38.000 0.030 0.000 1.279 134 I HN 0.296 nan 8.210 nan 0.000 0.437 135 D N 3.772 124.237 120.400 0.110 0.000 2.399 135 D HA 0.339 4.982 4.640 0.005 0.000 0.241 135 D C -1.308 175.085 176.300 0.155 0.000 1.133 135 D CA 0.732 54.790 54.000 0.098 0.000 0.890 135 D CB 1.271 42.116 40.800 0.074 0.000 1.201 135 D HN 0.507 nan 8.370 nan 0.000 0.432 136 F N 0.294 120.235 119.950 -0.015 0.000 2.573 136 F HA 0.465 4.995 4.527 0.004 0.000 0.316 136 F C -0.970 174.881 175.800 0.084 0.000 1.148 136 F CA -0.687 57.340 58.000 0.044 0.000 0.940 136 F CB 1.522 40.564 39.000 0.070 0.000 1.214 136 F HN 0.309 nan 8.300 nan 0.000 0.448 137 A N 7.085 129.768 122.820 -0.228 0.000 2.978 137 A HA 0.443 4.766 4.320 0.005 0.000 0.341 137 A C -2.391 175.021 177.584 -0.286 0.000 1.105 137 A CA -1.156 50.795 52.037 -0.143 0.000 0.819 137 A CB -0.179 18.805 19.000 -0.026 0.000 1.080 137 A HN 0.464 nan 8.150 nan 0.000 0.476 138 P HA -0.027 nan 4.420 nan 0.000 0.245 138 P C 0.587 177.801 177.300 -0.143 0.000 1.212 138 P CA 0.515 63.411 63.100 -0.341 0.000 0.774 138 P CB 0.238 31.789 31.700 -0.248 0.000 0.999 139 N N 0.764 119.391 118.700 -0.121 0.000 2.409 139 N HA -0.085 4.659 4.740 0.005 0.000 0.179 139 N C 0.619 176.159 175.510 0.050 0.000 1.032 139 N CA 0.479 53.553 53.050 0.040 0.000 0.898 139 N CB -0.062 38.497 38.487 0.121 0.000 0.971 139 N HN 0.340 nan 8.380 nan 0.000 0.441 140 H N -4.837 114.286 119.070 0.088 0.000 2.981 140 H HA 0.259 4.818 4.556 0.005 0.000 0.327 140 H C -0.093 175.366 175.328 0.218 0.000 1.342 140 H CA -0.156 55.959 56.048 0.111 0.000 1.123 140 H CB 0.775 30.592 29.762 0.091 0.000 1.851 140 H HN 0.008 nan 8.280 nan 0.000 0.531 141 T N -0.535 114.255 114.554 0.393 0.000 3.523 141 T HA 0.304 4.657 4.350 0.005 0.000 0.216 141 T C 0.733 175.626 174.700 0.322 0.000 0.922 141 T CA 0.859 63.168 62.100 0.348 0.000 1.558 141 T CB -0.534 68.538 68.868 0.340 0.000 1.424 141 T HN 0.819 nan 8.240 nan 0.000 0.452 142 S N 0.663 116.419 115.700 0.094 0.000 2.705 142 S HA 0.661 5.134 4.470 0.005 0.000 0.280 142 S C -3.349 171.053 174.600 -0.330 0.000 1.174 142 S CA -1.636 56.483 58.200 -0.135 0.000 0.823 142 S CB 1.036 64.166 63.200 -0.116 0.000 1.162 142 S HN 0.219 nan 8.310 nan 0.000 0.487 143 P HA 0.425 nan 4.420 nan 0.000 0.262 143 P C -0.995 176.205 177.300 -0.166 0.000 1.182 143 P CA 0.478 63.388 63.100 -0.316 0.000 0.761 143 P CB 0.330 31.807 31.700 -0.373 0.000 0.795 144 A N 2.464 125.255 122.820 -0.048 0.000 2.594 144 A HA 0.696 5.019 4.320 0.005 0.000 0.295 144 A C -1.007 176.630 177.584 0.089 0.000 1.071 144 A CA -0.475 51.550 52.037 -0.019 0.000 0.685 144 A CB 1.613 20.381 19.000 -0.388 0.000 1.285 144 A HN 0.330 nan 8.150 nan 0.000 0.405 145 S N 0.078 115.916 115.700 0.231 0.000 2.707 145 S HA 0.472 4.945 4.470 0.005 0.000 0.303 145 S C 1.001 175.744 174.600 0.238 0.000 1.132 145 S CA 0.214 58.517 58.200 0.172 0.000 1.046 145 S CB 1.085 64.289 63.200 0.007 0.000 1.004 145 S HN 1.721 nan 8.310 nan 0.000 0.483 146 S N 3.225 119.086 115.700 0.269 0.000 2.423 146 S HA -0.075 4.398 4.470 0.005 0.000 0.231 146 S C 1.031 175.619 174.600 -0.021 0.000 1.014 146 S CA 0.896 59.107 58.200 0.020 0.000 0.965 146 S CB -0.306 62.730 63.200 -0.272 0.000 0.785 146 S HN 0.744 nan 8.310 nan 0.000 0.495 147 D N 1.747 122.146 120.400 -0.002 0.000 2.149 147 D HA 0.024 4.667 4.640 0.005 0.000 0.201 147 D C 0.093 176.388 176.300 -0.008 0.000 0.972 147 D CA 1.087 55.074 54.000 -0.021 0.000 0.835 147 D CB -0.202 40.583 40.800 -0.025 0.000 0.966 147 D HN 0.430 nan 8.370 nan 0.000 0.476 148 D N -0.136 120.274 120.400 0.017 0.000 2.458 148 D HA 0.115 4.758 4.640 0.005 0.000 0.258 148 D C -1.800 174.546 176.300 0.078 0.000 1.134 148 D CA -2.123 51.899 54.000 0.036 0.000 0.915 148 D CB 1.455 42.270 40.800 0.025 0.000 1.028 148 D HN -0.081 nan 8.370 nan 0.000 0.508 149 P HA -0.135 nan 4.420 nan 0.000 0.223 149 P C 0.903 178.232 177.300 0.048 0.000 1.144 149 P CA 0.668 63.794 63.100 0.044 0.000 0.783 149 P CB 0.184 31.892 31.700 0.012 0.000 0.771 150 S N -1.756 113.980 115.700 0.059 0.000 2.558 150 S HA 0.017 4.490 4.470 0.005 0.000 0.217 150 S C 0.500 175.139 174.600 0.066 0.000 0.975 150 S CA -0.660 57.567 58.200 0.046 0.000 0.912 150 S CB -1.225 61.998 63.200 0.038 0.000 0.776 150 S HN 0.068 nan 8.310 nan 0.000 0.526 151 F N 3.500 123.422 119.950 -0.047 0.000 2.504 151 F HA 0.472 5.002 4.527 0.004 0.000 0.369 151 F C 1.062 176.809 175.800 -0.089 0.000 1.082 151 F CA 0.055 58.010 58.000 -0.074 0.000 1.216 151 F CB 0.044 38.998 39.000 -0.077 0.000 1.108 151 F HN 0.491 nan 8.300 nan 0.000 0.554 152 A N 4.696 127.001 122.820 -0.859 0.000 5.481 152 A HA -0.363 3.960 4.320 0.005 0.000 0.318 152 A C 0.892 178.280 177.584 -0.326 0.000 1.837 152 A CA 1.532 53.139 52.037 -0.717 0.000 0.717 152 A CB -1.332 17.017 19.000 -1.084 0.000 1.349 152 A HN 0.839 nan 8.150 nan 0.000 0.388 153 E N 1.158 121.220 120.200 -0.231 0.000 2.496 153 E HA 0.222 4.575 4.350 0.005 0.000 0.202 153 E C 0.371 176.935 176.600 -0.060 0.000 1.021 153 E CA 0.326 56.679 56.400 -0.078 0.000 1.015 153 E CB -0.146 29.559 29.700 0.010 0.000 1.102 153 E HN 0.649 nan 8.360 nan 0.000 0.452 154 N N 0.983 119.624 118.700 -0.098 0.000 2.710 154 N HA -0.252 4.491 4.740 0.005 0.000 0.249 154 N C 0.692 176.139 175.510 -0.105 0.000 1.059 154 N CA 0.513 53.532 53.050 -0.052 0.000 0.720 154 N CB -0.857 37.626 38.487 -0.006 0.000 0.983 154 N HN 0.601 nan 8.380 nan 0.000 0.544 155 G N 0.075 108.786 108.800 -0.149 0.000 2.233 155 G HA2 -0.367 3.596 3.960 0.005 0.000 0.270 155 G HA3 -0.367 3.596 3.960 0.005 0.000 0.270 155 G C 0.278 175.159 174.900 -0.031 0.000 1.011 155 G CA 0.807 45.806 45.100 -0.167 0.000 0.762 155 G HN 0.681 nan 8.290 nan 0.000 0.511 156 R N -0.823 119.694 120.500 0.028 0.000 2.640 156 R HA 0.355 4.698 4.340 0.005 0.000 0.270 156 R C 0.493 176.868 176.300 0.124 0.000 1.024 156 R CA 0.053 56.189 56.100 0.059 0.000 1.085 156 R CB 0.424 30.726 30.300 0.003 0.000 0.963 156 R HN 0.301 nan 8.270 nan 0.000 0.426 157 L N 4.242 125.487 121.223 0.036 0.000 2.313 157 L HA 0.406 4.749 4.340 0.005 0.000 0.283 157 L C -1.139 175.605 176.870 -0.209 0.000 1.013 157 L CA -0.681 54.178 54.840 0.031 0.000 0.816 157 L CB 0.901 42.945 42.059 -0.025 0.000 1.236 157 L HN 0.586 nan 8.230 nan 0.000 0.419 158 Y N 1.844 122.173 120.300 0.049 0.000 2.528 158 Y HA 0.334 4.887 4.550 0.005 0.000 0.335 158 Y C -0.171 175.783 175.900 0.090 0.000 1.093 158 Y CA -0.794 57.338 58.100 0.054 0.000 1.134 158 Y CB 1.706 40.223 38.460 0.094 0.000 1.253 158 Y HN 0.429 nan 8.280 nan 0.000 0.478 159 D N 1.905 122.463 120.400 0.263 0.000 2.454 159 D HA 0.122 4.765 4.640 0.005 0.000 0.247 159 D C -0.433 176.053 176.300 0.310 0.000 1.129 159 D CA -0.457 53.760 54.000 0.362 0.000 0.877 159 D CB 0.033 40.968 40.800 0.226 0.000 1.082 159 D HN 0.602 nan 8.370 nan 0.000 0.537 160 N N 3.432 122.321 118.700 0.315 0.000 2.716 160 N HA -0.256 4.488 4.740 0.005 0.000 0.250 160 N C 0.982 176.591 175.510 0.166 0.000 1.033 160 N CA 2.059 55.231 53.050 0.203 0.000 0.727 160 N CB -1.011 37.569 38.487 0.155 0.000 0.950 160 N HN 0.824 nan 8.380 nan 0.000 0.541 161 G N -1.754 107.166 108.800 0.201 0.000 2.254 161 G HA2 -0.290 3.673 3.960 0.005 0.000 0.225 161 G HA3 -0.290 3.673 3.960 0.005 0.000 0.225 161 G C -0.105 174.974 174.900 0.299 0.000 1.003 161 G CA 0.100 45.298 45.100 0.163 0.000 0.622 161 G HN 0.543 nan 8.290 nan 0.000 0.507 162 N N 1.413 120.272 118.700 0.264 0.000 2.444 162 N HA 0.356 5.099 4.740 0.005 0.000 0.271 162 N C 0.042 175.646 175.510 0.157 0.000 1.069 162 N CA -0.369 52.802 53.050 0.202 0.000 0.965 162 N CB 1.650 40.207 38.487 0.116 0.000 1.092 162 N HN 0.315 nan 8.380 nan 0.000 0.476 163 L N 3.489 124.742 121.223 0.050 0.000 2.418 163 L HA 0.012 4.355 4.340 0.005 0.000 0.274 163 L C 0.670 177.418 176.870 -0.204 0.000 1.135 163 L CA -0.101 54.550 54.840 -0.316 0.000 0.870 163 L CB 0.720 42.605 42.059 -0.290 0.000 1.154 163 L HN 0.447 nan 8.230 nan 0.000 0.462 164 L N 5.263 126.325 121.223 -0.269 0.000 2.145 164 L HA 0.399 4.743 4.340 0.005 0.000 0.201 164 L C 1.001 177.787 176.870 -0.140 0.000 1.075 164 L CA 1.104 55.830 54.840 -0.190 0.000 0.773 164 L CB -0.376 41.528 42.059 -0.258 0.000 0.936 164 L HN 0.824 nan 8.230 nan 0.000 0.451 165 G N -2.693 106.036 108.800 -0.118 0.000 2.338 165 G HA2 0.478 4.441 3.960 0.005 0.000 0.295 165 G HA3 0.478 4.441 3.960 0.005 0.000 0.295 165 G C -1.129 173.845 174.900 0.123 0.000 1.461 165 G CA -0.241 44.867 45.100 0.013 0.000 0.817 165 G HN 0.307 nan 8.290 nan 0.000 0.556 166 G N -1.706 107.159 108.800 0.108 0.000 2.735 166 G HA2 0.506 4.469 3.960 0.005 0.000 0.301 166 G HA3 0.506 4.469 3.960 0.005 0.000 0.301 166 G C 0.177 175.038 174.900 -0.065 0.000 1.279 166 G CA -0.349 44.764 45.100 0.021 0.000 1.019 166 G HN 0.640 nan 8.290 nan 0.000 0.497 167 Y N 0.188 120.220 120.300 -0.447 0.000 2.286 167 Y HA 0.133 4.686 4.550 0.006 0.000 0.293 167 Y C 1.858 177.683 175.900 -0.126 0.000 1.124 167 Y CA 1.041 58.847 58.100 -0.491 0.000 1.178 167 Y CB -0.067 38.083 38.460 -0.517 0.000 1.010 167 Y HN 0.313 nan 8.280 nan 0.000 0.536 168 T N 2.475 116.978 114.554 -0.085 0.000 2.884 168 T HA 0.045 4.398 4.350 0.005 0.000 0.298 168 T C 0.195 174.829 174.700 -0.110 0.000 0.998 168 T CA -0.131 61.893 62.100 -0.127 0.000 1.124 168 T CB 0.212 69.045 68.868 -0.058 0.000 0.931 168 T HN 0.381 nan 8.240 nan 0.000 0.531 169 N N 1.903 120.513 118.700 -0.150 0.000 2.756 169 N HA -0.162 4.581 4.740 0.005 0.000 0.248 169 N C -0.861 174.606 175.510 -0.072 0.000 1.062 169 N CA 0.127 53.110 53.050 -0.111 0.000 0.696 169 N CB -0.449 37.996 38.487 -0.070 0.000 0.946 169 N HN 0.707 nan 8.380 nan 0.000 0.548 170 D N 0.220 120.568 120.400 -0.087 0.000 2.551 170 D HA 0.169 4.812 4.640 0.005 0.000 0.223 170 D C 1.197 177.492 176.300 -0.009 0.000 1.144 170 D CA 0.148 54.169 54.000 0.036 0.000 1.025 170 D CB 0.359 41.285 40.800 0.211 0.000 1.085 170 D HN 0.164 nan 8.370 nan 0.000 0.506 171 T N 1.374 115.915 114.554 -0.022 0.000 2.904 171 T HA -0.115 4.238 4.350 0.005 0.000 0.267 171 T C 1.563 176.254 174.700 -0.015 0.000 1.059 171 T CA 1.125 63.205 62.100 -0.032 0.000 1.137 171 T CB 0.145 68.993 68.868 -0.034 0.000 0.879 171 T HN 0.414 nan 8.240 nan 0.000 0.467 172 Q N 0.303 120.102 119.800 -0.003 0.000 2.435 172 Q HA 0.114 4.457 4.340 0.005 0.000 0.207 172 Q C 0.384 176.376 176.000 -0.014 0.000 0.956 172 Q CA 0.076 55.871 55.803 -0.014 0.000 0.917 172 Q CB 0.010 28.730 28.738 -0.030 0.000 0.997 172 Q HN 0.484 nan 8.270 nan 0.000 0.497 173 N N -0.333 118.378 118.700 0.019 0.000 2.740 173 N HA -0.183 4.560 4.740 0.005 0.000 0.248 173 N C 0.119 175.591 175.510 -0.063 0.000 1.062 173 N CA -0.002 53.066 53.050 0.029 0.000 0.704 173 N CB -0.889 37.606 38.487 0.014 0.000 0.968 173 N HN 0.251 nan 8.380 nan 0.000 0.547 174 L N -1.594 119.562 121.223 -0.112 0.000 2.362 174 L HA 0.028 4.371 4.340 0.005 0.000 0.219 174 L C 0.385 176.858 176.870 -0.661 0.000 1.134 174 L CA 0.966 55.552 54.840 -0.424 0.000 0.807 174 L CB -0.182 41.518 42.059 -0.598 0.000 0.927 174 L HN 0.174 nan 8.230 nan 0.000 0.447 175 F N -2.564 117.273 119.950 -0.188 0.000 2.611 175 F HA 0.385 4.915 4.527 0.005 0.000 0.324 175 F C 0.322 175.859 175.800 -0.440 0.000 1.061 175 F CA -0.968 56.851 58.000 -0.301 0.000 0.954 175 F CB 0.962 39.894 39.000 -0.113 0.000 1.301 175 F HN -0.221 nan 8.300 nan 0.000 0.482 176 H N 0.702 119.705 119.070 -0.111 0.000 2.548 176 H HA 0.304 4.863 4.556 0.005 0.000 0.331 176 H C -0.619 174.438 175.328 -0.450 0.000 1.093 176 H CA -0.333 55.588 56.048 -0.211 0.000 1.367 176 H CB 0.654 30.462 29.762 0.077 0.000 1.455 176 H HN 0.450 nan 8.280 nan 0.000 0.519 177 H N 4.296 123.186 119.070 -0.300 0.000 2.535 177 H HA 0.037 4.596 4.556 0.005 0.000 0.232 177 H C -0.506 174.574 175.328 -0.415 0.000 1.405 177 H CA -0.041 55.835 56.048 -0.286 0.000 1.224 177 H CB 0.132 29.693 29.762 -0.334 0.000 1.763 177 H HN 0.757 nan 8.280 nan 0.000 0.529 178 Y N 0.151 120.518 120.300 0.112 0.000 2.507 178 Y HA 0.332 4.885 4.550 0.005 0.000 0.254 178 Y C 1.635 177.554 175.900 0.032 0.000 1.171 178 Y CA 0.304 58.424 58.100 0.033 0.000 1.238 178 Y CB 0.970 39.418 38.460 -0.020 0.000 1.148 178 Y HN 0.600 nan 8.280 nan 0.000 0.525 179 G N -0.166 108.723 108.800 0.150 0.000 2.685 179 G HA2 0.059 4.022 3.960 0.005 0.000 0.387 179 G HA3 0.059 4.022 3.960 0.005 0.000 0.387 179 G C 0.097 175.047 174.900 0.082 0.000 1.324 179 G CA -0.736 44.425 45.100 0.102 0.000 0.878 179 G HN 0.565 nan 8.290 nan 0.000 0.527 180 G N -0.999 107.821 108.800 0.034 0.000 2.448 180 G HA2 0.664 4.627 3.960 0.005 0.000 0.285 180 G HA3 0.664 4.627 3.960 0.005 0.000 0.285 180 G C 0.345 175.228 174.900 -0.029 0.000 1.176 180 G CA 0.951 46.046 45.100 -0.009 0.000 0.852 180 G HN 1.334 nan 8.290 nan 0.000 0.530 181 T N -0.638 113.874 114.554 -0.070 0.000 2.907 181 T HA 0.243 4.596 4.350 0.005 0.000 0.298 181 T C 0.961 175.606 174.700 -0.090 0.000 1.017 181 T CA 0.003 62.054 62.100 -0.082 0.000 1.118 181 T CB 0.816 69.611 68.868 -0.121 0.000 0.948 181 T HN 0.595 nan 8.240 nan 0.000 0.531 182 D N 3.369 123.726 120.400 -0.071 0.000 2.369 182 D HA 0.063 4.707 4.640 0.005 0.000 0.211 182 D C 1.324 177.582 176.300 -0.071 0.000 1.077 182 D CA -0.093 53.867 54.000 -0.067 0.000 0.842 182 D CB -0.590 40.181 40.800 -0.049 0.000 0.947 182 D HN 0.660 nan 8.370 nan 0.000 0.509 183 L N 0.750 121.927 121.223 -0.076 0.000 4.001 183 L HA -0.288 4.055 4.340 0.005 0.000 0.413 183 L C 1.438 178.276 176.870 -0.053 0.000 1.185 183 L CA 0.552 55.353 54.840 -0.065 0.000 0.963 183 L CB -2.415 39.602 42.059 -0.071 0.000 1.976 183 L HN 0.212 nan 8.230 nan 0.000 0.939 184 S N -2.519 113.150 115.700 -0.052 0.000 2.414 184 S HA 0.020 4.493 4.470 0.005 0.000 0.227 184 S C 0.901 175.477 174.600 -0.040 0.000 1.022 184 S CA 0.932 59.107 58.200 -0.043 0.000 0.958 184 S CB 0.028 63.203 63.200 -0.042 0.000 0.797 184 S HN 0.661 nan 8.310 nan 0.000 0.493 185 T N -2.198 112.323 114.554 -0.054 0.000 2.865 185 T HA 0.642 4.995 4.350 0.005 0.000 0.294 185 T C 0.815 175.467 174.700 -0.080 0.000 1.119 185 T CA -0.868 61.199 62.100 -0.054 0.000 1.007 185 T CB 0.852 69.679 68.868 -0.068 0.000 1.225 185 T HN -0.013 nan 8.240 nan 0.000 0.515 186 I N 0.502 121.031 120.570 -0.069 0.000 2.252 186 I HA -0.086 4.087 4.170 0.005 0.000 0.245 186 I C 2.832 178.842 176.117 -0.179 0.000 1.102 186 I CA 1.493 62.731 61.300 -0.104 0.000 1.385 186 I CB -0.236 37.766 38.000 0.004 0.000 1.064 186 I HN 0.911 nan 8.210 nan 0.000 0.414 187 E N 1.323 121.332 120.200 -0.318 0.000 2.097 187 E HA -0.310 4.043 4.350 0.005 0.000 0.196 187 E C 2.047 178.524 176.600 -0.207 0.000 1.000 187 E CA 1.527 57.590 56.400 -0.563 0.000 0.804 187 E CB -0.157 29.017 29.700 -0.876 0.000 0.740 187 E HN 0.412 nan 8.360 nan 0.000 0.454 188 N N 0.025 118.635 118.700 -0.150 0.000 2.120 188 N HA -0.120 4.623 4.740 0.005 0.000 0.188 188 N C 1.925 177.398 175.510 -0.061 0.000 1.024 188 N CA 1.493 54.493 53.050 -0.082 0.000 0.852 188 N CB -0.309 38.131 38.487 -0.078 0.000 1.003 188 N HN 0.249 nan 8.380 nan 0.000 0.424 189 G N 0.480 109.245 108.800 -0.059 0.000 2.534 189 G HA2 -0.043 3.920 3.960 0.005 0.000 0.217 189 G HA3 -0.043 3.920 3.960 0.005 0.000 0.217 189 G C 1.692 176.629 174.900 0.061 0.000 1.128 189 G CA 0.090 45.208 45.100 0.030 0.000 0.784 189 G HN 0.309 nan 8.290 nan 0.000 0.542 190 I N -1.216 119.286 120.570 -0.113 0.000 2.296 190 I HA 0.020 4.193 4.170 0.005 0.000 0.242 190 I C 1.895 177.801 176.117 -0.352 0.000 1.087 190 I CA 0.732 61.865 61.300 -0.279 0.000 1.393 190 I CB 0.025 37.707 38.000 -0.531 0.000 1.093 190 I HN 0.096 nan 8.210 nan 0.000 0.421 191 Y N 0.876 121.127 120.300 -0.083 0.000 2.500 191 Y HA 0.208 4.761 4.550 0.006 0.000 0.270 191 Y C 0.903 176.759 175.900 -0.073 0.000 1.134 191 Y CA 0.005 57.962 58.100 -0.238 0.000 1.293 191 Y CB -0.048 38.195 38.460 -0.363 0.000 1.063 191 Y HN -0.079 nan 8.280 nan 0.000 0.534 192 K N 0.934 121.386 120.400 0.087 0.000 2.095 192 K HA 0.247 4.570 4.320 0.005 0.000 0.252 192 K C -0.598 176.030 176.600 0.048 0.000 0.977 192 K CA -0.872 55.475 56.287 0.101 0.000 0.900 192 K CB 0.785 33.311 32.500 0.044 0.000 1.060 192 K HN 0.013 nan 8.250 nan 0.000 0.449 193 N N 0.845 119.571 118.700 0.043 0.000 2.503 193 N HA 0.167 4.910 4.740 0.005 0.000 0.267 193 N C -0.978 174.455 175.510 -0.127 0.000 1.214 193 N CA -0.443 52.595 53.050 -0.019 0.000 0.959 193 N CB 0.351 38.824 38.487 -0.023 0.000 1.142 193 N HN 0.230 nan 8.380 nan 0.000 0.455 194 L N 2.792 123.891 121.223 -0.208 0.000 2.317 194 L HA 0.404 4.747 4.340 0.005 0.000 0.281 194 L C -0.675 176.019 176.870 -0.294 0.000 1.024 194 L CA 0.020 54.617 54.840 -0.405 0.000 0.810 194 L CB -0.150 41.566 42.059 -0.571 0.000 1.240 194 L HN 0.633 nan 8.230 nan 0.000 0.427 195 Y N 1.352 121.562 120.300 -0.148 0.000 2.877 195 Y HA -0.378 4.175 4.550 0.005 0.000 0.467 195 Y C 0.971 176.798 175.900 -0.121 0.000 1.184 195 Y CA 1.458 59.477 58.100 -0.135 0.000 2.567 195 Y CB -1.220 37.152 38.460 -0.146 0.000 1.217 195 Y HN 0.808 nan 8.280 nan 0.000 0.629 196 D N -0.531 119.919 120.400 0.083 0.000 2.623 196 D HA 0.303 4.946 4.640 0.005 0.000 0.252 196 D C -0.684 175.553 176.300 -0.104 0.000 1.294 196 D CA -0.041 53.949 54.000 -0.016 0.000 0.824 196 D CB -0.196 40.619 40.800 0.024 0.000 1.070 196 D HN 0.174 nan 8.370 nan 0.000 0.487 197 L N 1.505 122.657 121.223 -0.118 0.000 2.380 197 L HA 0.499 4.842 4.340 0.005 0.000 0.273 197 L C 0.806 177.515 176.870 -0.267 0.000 1.138 197 L CA -0.966 53.753 54.840 -0.201 0.000 0.832 197 L CB 0.371 42.281 42.059 -0.248 0.000 1.124 197 L HN 0.186 nan 8.230 nan 0.000 0.454 198 A N 3.107 125.705 122.820 -0.371 0.000 2.444 198 A HA 0.183 4.506 4.320 0.005 0.000 0.287 198 A C -0.074 177.513 177.584 0.005 0.000 1.195 198 A CA -0.377 51.343 52.037 -0.529 0.000 0.858 198 A CB -0.665 17.913 19.000 -0.702 0.000 1.117 198 A HN 0.659 nan 8.150 nan 0.000 0.521 199 D N 2.127 122.554 120.400 0.044 0.000 2.312 199 D HA 0.349 4.992 4.640 0.005 0.000 0.252 199 D C 0.108 176.416 176.300 0.014 0.000 1.150 199 D CA -0.034 54.029 54.000 0.105 0.000 0.870 199 D CB 0.854 41.736 40.800 0.138 0.000 1.153 199 D HN 0.273 nan 8.370 nan 0.000 0.457 200 L N 3.006 124.127 121.223 -0.170 0.000 2.456 200 L HA 0.092 4.435 4.340 0.005 0.000 0.272 200 L C 0.516 176.823 176.870 -0.938 0.000 1.189 200 L CA 0.142 54.639 54.840 -0.571 0.000 0.846 200 L CB 0.149 41.833 42.059 -0.625 0.000 1.111 200 L HN 0.299 nan 8.230 nan 0.000 0.475 201 N N 1.534 119.680 118.700 -0.922 0.000 2.558 201 N HA 0.092 4.835 4.740 0.005 0.000 0.233 201 N C 0.572 175.702 175.510 -0.633 0.000 1.038 201 N CA -0.044 52.510 53.050 -0.826 0.000 0.934 201 N CB 0.154 38.350 38.487 -0.485 0.000 1.175 201 N HN 0.484 nan 8.380 nan 0.000 0.512 202 H N 1.135 119.951 119.070 -0.423 0.000 2.559 202 H HA 0.008 4.567 4.556 0.005 0.000 0.273 202 H C 1.121 176.309 175.328 -0.234 0.000 1.000 202 H CA 0.601 56.296 56.048 -0.589 0.000 1.195 202 H CB 0.242 29.278 29.762 -1.209 0.000 1.368 202 H HN 0.529 nan 8.280 nan 0.000 0.592 203 N N 0.716 119.436 118.700 0.034 0.000 2.467 203 N HA -0.105 4.638 4.740 0.005 0.000 0.184 203 N C -0.036 175.510 175.510 0.060 0.000 1.106 203 N CA -0.012 53.109 53.050 0.118 0.000 0.892 203 N CB 0.070 38.666 38.487 0.181 0.000 0.969 203 N HN 0.292 nan 8.380 nan 0.000 0.454 204 N N -0.594 118.092 118.700 -0.024 0.000 2.411 204 N HA 0.076 4.819 4.740 0.005 0.000 0.259 204 N C 0.568 176.078 175.510 0.001 0.000 1.103 204 N CA -0.192 52.839 53.050 -0.032 0.000 0.954 204 N CB 0.773 39.191 38.487 -0.116 0.000 1.085 204 N HN -0.026 nan 8.380 nan 0.000 0.485 205 S N 1.713 117.438 115.700 0.042 0.000 2.387 205 S HA -0.199 4.274 4.470 0.005 0.000 0.230 205 S C 1.737 176.375 174.600 0.063 0.000 1.035 205 S CA 1.524 59.767 58.200 0.072 0.000 1.014 205 S CB -0.217 63.026 63.200 0.071 0.000 0.836 205 S HN 0.705 nan 8.310 nan 0.000 0.466 206 S N 1.334 117.048 115.700 0.023 0.000 2.370 206 S HA -0.083 4.390 4.470 0.005 0.000 0.226 206 S C 1.991 176.612 174.600 0.035 0.000 1.033 206 S CA 1.253 59.465 58.200 0.020 0.000 1.011 206 S CB -0.578 62.601 63.200 -0.036 0.000 0.852 206 S HN 0.349 nan 8.310 nan 0.000 0.457 207 V N 2.226 122.116 119.914 -0.040 0.000 2.323 207 V HA -0.174 3.949 4.120 0.005 0.000 0.244 207 V C 2.366 178.514 176.094 0.089 0.000 1.041 207 V CA 2.071 64.332 62.300 -0.065 0.000 1.025 207 V CB -0.790 30.860 31.823 -0.288 0.000 0.656 207 V HN 0.475 nan 8.190 nan 0.000 0.451 208 D N 0.086 120.557 120.400 0.119 0.000 2.106 208 D HA -0.184 4.459 4.640 0.005 0.000 0.191 208 D C 1.989 178.480 176.300 0.319 0.000 0.997 208 D CA 1.969 56.161 54.000 0.321 0.000 0.834 208 D CB -0.132 40.865 40.800 0.329 0.000 0.956 208 D HN 0.188 nan 8.370 nan 0.000 0.448 209 V N -0.211 119.835 119.914 0.220 0.000 2.358 209 V HA -0.211 3.912 4.120 0.005 0.000 0.246 209 V C 2.102 178.307 176.094 0.185 0.000 1.047 209 V CA 1.826 64.231 62.300 0.176 0.000 1.035 209 V CB -0.916 30.985 31.823 0.130 0.000 0.658 209 V HN 0.350 nan 8.190 nan 0.000 0.452 210 Y N 0.312 120.664 120.300 0.086 0.000 2.097 210 Y HA -0.257 4.296 4.550 0.005 0.000 0.282 210 Y C 2.200 178.177 175.900 0.127 0.000 1.152 210 Y CA 1.761 59.911 58.100 0.084 0.000 1.136 210 Y CB -0.300 38.186 38.460 0.043 0.000 0.975 210 Y HN 0.146 nan 8.280 nan 0.000 0.498 211 L N 0.686 121.976 121.223 0.112 0.000 2.141 211 L HA -0.136 4.207 4.340 0.005 0.000 0.209 211 L C 2.199 179.236 176.870 0.280 0.000 1.094 211 L CA 1.669 56.571 54.840 0.104 0.000 0.763 211 L CB -0.866 41.334 42.059 0.234 0.000 0.908 211 L HN 0.215 nan 8.230 nan 0.000 0.437 212 K N -0.908 119.657 120.400 0.275 0.000 2.116 212 K HA -0.100 4.223 4.320 0.005 0.000 0.203 212 K C 1.652 178.251 176.600 -0.001 0.000 1.052 212 K CA 1.053 57.448 56.287 0.181 0.000 0.952 212 K CB -0.027 32.558 32.500 0.142 0.000 0.729 212 K HN 0.198 nan 8.250 nan 0.000 0.446 213 D N 0.799 121.183 120.400 -0.026 0.000 2.144 213 D HA -0.108 4.535 4.640 0.005 0.000 0.200 213 D C 1.785 178.027 176.300 -0.097 0.000 0.978 213 D CA 1.134 55.081 54.000 -0.089 0.000 0.833 213 D CB -0.094 40.671 40.800 -0.058 0.000 0.961 213 D HN 0.185 nan 8.370 nan 0.000 0.470 214 A N 0.667 123.434 122.820 -0.090 0.000 1.898 214 A HA -0.137 4.186 4.320 0.005 0.000 0.216 214 A C 2.206 179.884 177.584 0.155 0.000 1.181 214 A CA 0.831 52.885 52.037 0.029 0.000 0.620 214 A CB -0.610 18.449 19.000 0.098 0.000 0.819 214 A HN 0.195 nan 8.150 nan 0.000 0.442 215 I N -0.046 120.564 120.570 0.066 0.000 2.286 215 I HA -0.191 3.982 4.170 0.005 0.000 0.248 215 I C 2.132 178.206 176.117 -0.071 0.000 1.115 215 I CA 1.594 62.810 61.300 -0.139 0.000 1.392 215 I CB -0.268 37.537 38.000 -0.325 0.000 1.065 215 I HN 0.254 nan 8.210 nan 0.000 0.418 216 K N -0.388 119.936 120.400 -0.126 0.000 2.097 216 K HA -0.209 4.114 4.320 0.005 0.000 0.206 216 K C 2.175 178.755 176.600 -0.033 0.000 1.049 216 K CA 1.835 58.037 56.287 -0.142 0.000 0.933 216 K CB -0.355 31.875 32.500 -0.450 0.000 0.717 216 K HN 0.407 nan 8.250 nan 0.000 0.442 217 M N -0.206 119.332 119.600 -0.105 0.000 2.108 217 M HA -0.203 4.280 4.480 0.005 0.000 0.261 217 M C 1.435 177.592 176.300 -0.240 0.000 1.066 217 M CA 1.864 57.047 55.300 -0.195 0.000 1.107 217 M CB -0.179 32.226 32.600 -0.324 0.000 1.356 217 M HN 0.220 nan 8.290 nan 0.000 0.406 218 W N 0.495 121.795 121.300 0.000 0.000 2.402 218 W HA -0.090 4.574 4.660 0.006 0.000 0.286 218 W C 2.044 178.601 176.519 0.063 0.000 1.221 218 W CA 0.627 57.983 57.345 0.018 0.000 1.257 218 W CB -0.383 29.063 29.460 -0.023 0.000 1.120 218 W HN 0.201 nan 8.180 nan 0.000 0.551 219 L N -0.142 121.205 121.223 0.207 0.000 2.056 219 L HA -0.214 4.129 4.340 0.005 0.000 0.207 219 L C 1.884 178.850 176.870 0.160 0.000 1.078 219 L CA 1.155 56.103 54.840 0.180 0.000 0.749 219 L CB -0.753 41.419 42.059 0.190 0.000 0.901 219 L HN -0.108 nan 8.230 nan 0.000 0.433 220 D N 0.171 120.659 120.400 0.147 0.000 2.218 220 D HA -0.116 4.527 4.640 0.005 0.000 0.204 220 D C 2.121 178.471 176.300 0.083 0.000 0.976 220 D CA 1.055 55.117 54.000 0.102 0.000 0.853 220 D CB -0.053 40.794 40.800 0.080 0.000 0.939 220 D HN 0.294 nan 8.370 nan 0.000 0.481 221 L N -0.587 120.700 121.223 0.107 0.000 2.610 221 L HA 0.138 4.481 4.340 0.005 0.000 0.232 221 L C 1.341 178.327 176.870 0.193 0.000 1.149 221 L CA 0.377 55.313 54.840 0.160 0.000 0.872 221 L CB -0.125 42.079 42.059 0.242 0.000 0.992 221 L HN 0.120 nan 8.230 nan 0.000 0.447 222 G N 0.314 109.222 108.800 0.181 0.000 2.131 222 G HA2 -0.237 3.726 3.960 0.005 0.000 0.223 222 G HA3 -0.237 3.726 3.960 0.005 0.000 0.223 222 G C 0.290 175.324 174.900 0.224 0.000 0.990 222 G CA 0.045 45.256 45.100 0.185 0.000 0.671 222 G HN 0.213 nan 8.290 nan 0.000 0.521 223 V N -2.280 117.788 119.914 0.257 0.000 2.924 223 V HA 0.577 4.700 4.120 0.005 0.000 0.305 223 V C 0.882 177.120 176.094 0.241 0.000 1.073 223 V CA 0.535 62.989 62.300 0.256 0.000 1.098 223 V CB 1.406 33.411 31.823 0.304 0.000 1.000 223 V HN 0.112 nan 8.190 nan 0.000 0.484 224 D N 2.433 123.002 120.400 0.283 0.000 2.389 224 D HA 0.314 4.957 4.640 0.005 0.000 0.206 224 D C 0.684 177.229 176.300 0.410 0.000 1.055 224 D CA 1.236 55.443 54.000 0.345 0.000 0.856 224 D CB 1.261 42.303 40.800 0.402 0.000 0.957 224 D HN 0.940 nan 8.370 nan 0.000 0.509 225 G N 0.326 109.283 108.800 0.261 0.000 2.646 225 G HA2 0.595 4.558 3.960 0.005 0.000 0.291 225 G HA3 0.595 4.558 3.960 0.005 0.000 0.291 225 G C -1.681 173.219 174.900 -0.001 0.000 1.445 225 G CA -0.628 44.534 45.100 0.104 0.000 0.814 225 G HN -0.005 nan 8.290 nan 0.000 0.495 226 I N 0.840 121.331 120.570 -0.132 0.000 2.512 226 I HA 0.434 4.607 4.170 0.005 0.000 0.287 226 I C -0.340 175.467 176.117 -0.517 0.000 1.069 226 I CA -0.889 60.284 61.300 -0.212 0.000 1.056 226 I CB 2.290 40.204 38.000 -0.142 0.000 1.229 226 I HN 0.229 nan 8.210 nan 0.000 0.429 227 R N 6.117 126.216 120.500 -0.669 0.000 2.229 227 R HA 0.490 4.833 4.340 0.005 0.000 0.332 227 R C -1.379 174.684 176.300 -0.394 0.000 0.989 227 R CA -0.414 55.030 56.100 -1.094 0.000 0.842 227 R CB 1.569 31.049 30.300 -1.367 0.000 1.119 227 R HN 0.513 nan 8.270 nan 0.000 0.456 228 V N 3.614 123.380 119.914 -0.247 0.000 2.427 228 V HA 0.319 4.442 4.120 0.005 0.000 0.286 228 V C -0.349 175.767 176.094 0.037 0.000 1.034 228 V CA -0.776 61.533 62.300 0.015 0.000 0.893 228 V CB 1.626 33.538 31.823 0.149 0.000 0.982 228 V HN 0.811 nan 8.190 nan 0.000 0.452 229 D N 5.438 125.897 120.400 0.098 0.000 2.341 229 D HA 0.519 5.162 4.640 0.005 0.000 0.245 229 D C 0.738 177.101 176.300 0.106 0.000 1.106 229 D CA 0.801 54.881 54.000 0.134 0.000 0.905 229 D CB 1.262 42.174 40.800 0.187 0.000 1.202 229 D HN 1.680 nan 8.370 nan 0.000 0.426 230 A N 2.390 125.278 122.820 0.112 0.000 2.687 230 A HA -0.186 4.137 4.320 0.005 0.000 0.299 230 A C 1.521 179.102 177.584 -0.005 0.000 1.497 230 A CA 0.729 52.834 52.037 0.112 0.000 0.751 230 A CB -1.953 17.163 19.000 0.193 0.000 1.048 230 A HN 0.494 nan 8.150 nan 0.000 0.464 231 V N -0.104 119.760 119.914 -0.082 0.000 2.594 231 V HA -0.205 3.918 4.120 0.005 0.000 0.253 231 V C 2.371 178.196 176.094 -0.449 0.000 1.069 231 V CA 2.608 64.793 62.300 -0.191 0.000 1.082 231 V CB -0.296 31.447 31.823 -0.134 0.000 0.680 231 V HN 0.774 nan 8.190 nan 0.000 0.469 232 K N -1.294 118.675 120.400 -0.718 0.000 2.486 232 K HA -0.087 4.236 4.320 0.005 0.000 0.194 232 K C 1.140 177.153 176.600 -0.978 0.000 1.033 232 K CA 0.723 56.270 56.287 -1.232 0.000 1.004 232 K CB 0.023 31.444 32.500 -1.798 0.000 0.798 232 K HN 0.561 nan 8.250 nan 0.000 0.495 233 H N -0.732 118.158 119.070 -0.299 0.000 2.581 233 H HA 0.272 4.831 4.556 0.005 0.000 0.275 233 H C -0.309 174.934 175.328 -0.143 0.000 1.126 233 H CA 0.012 55.934 56.048 -0.210 0.000 1.097 233 H CB 0.294 29.960 29.762 -0.160 0.000 1.626 233 H HN 0.104 nan 8.280 nan 0.000 0.565 234 M N 0.723 120.283 119.600 -0.066 0.000 2.572 234 M HA 0.362 4.845 4.480 0.005 0.000 0.299 234 M C -2.669 173.645 176.300 0.024 0.000 1.205 234 M CA -1.884 53.398 55.300 -0.030 0.000 0.876 234 M CB 2.924 35.514 32.600 -0.018 0.000 1.728 234 M HN -0.204 nan 8.290 nan 0.000 0.458 235 P HA 0.004 nan 4.420 nan 0.000 0.267 235 P C 0.092 177.569 177.300 0.294 0.000 1.209 235 P CA -0.003 63.197 63.100 0.167 0.000 0.763 235 P CB 0.203 32.032 31.700 0.216 0.000 0.816 236 F N 4.547 124.612 119.950 0.192 0.000 2.120 236 F HA -0.197 4.333 4.527 0.005 0.000 0.300 236 F C 2.119 178.026 175.800 0.178 0.000 1.095 236 F CA 2.567 60.730 58.000 0.272 0.000 1.249 236 F CB -0.947 38.237 39.000 0.306 0.000 0.995 236 F HN 0.372 nan 8.300 nan 0.000 0.480 237 G N -0.987 108.064 108.800 0.418 0.000 2.422 237 G HA2 -0.354 3.609 3.960 0.005 0.000 0.218 237 G HA3 -0.354 3.609 3.960 0.005 0.000 0.218 237 G C 1.444 176.444 174.900 0.167 0.000 1.146 237 G CA 0.735 46.012 45.100 0.294 0.000 0.769 237 G HN 0.631 nan 8.290 nan 0.000 0.547 238 W N 1.127 122.472 121.300 0.074 0.000 2.409 238 W HA 0.029 4.692 4.660 0.004 0.000 0.299 238 W C 2.770 179.288 176.519 -0.003 0.000 1.203 238 W CA 1.385 58.751 57.345 0.036 0.000 1.298 238 W CB -0.006 29.448 29.460 -0.010 0.000 1.127 238 W HN 0.267 nan 8.180 nan 0.000 0.528 239 Q N 0.266 120.024 119.800 -0.071 0.000 2.124 239 Q HA -0.245 4.098 4.340 0.005 0.000 0.202 239 Q C 2.193 178.010 176.000 -0.305 0.000 0.977 239 Q CA 1.782 57.461 55.803 -0.207 0.000 0.850 239 Q CB -0.410 28.363 28.738 0.058 0.000 0.901 239 Q HN 0.305 nan 8.270 nan 0.000 0.429 240 K N 0.664 120.832 120.400 -0.386 0.000 2.057 240 K HA -0.168 4.155 4.320 0.005 0.000 0.207 240 K C 2.260 178.699 176.600 -0.268 0.000 1.049 240 K CA 1.630 57.684 56.287 -0.389 0.000 0.931 240 K CB -0.056 32.203 32.500 -0.401 0.000 0.714 240 K HN 0.207 nan 8.250 nan 0.000 0.440 241 S N -0.164 115.380 115.700 -0.259 0.000 2.406 241 S HA -0.140 4.333 4.470 0.005 0.000 0.228 241 S C 1.868 176.292 174.600 -0.292 0.000 1.020 241 S CA 0.569 58.632 58.200 -0.229 0.000 0.965 241 S CB -0.534 62.561 63.200 -0.176 0.000 0.798 241 S HN 0.406 nan 8.310 nan 0.000 0.488 242 F N 2.228 121.774 119.950 -0.672 0.000 2.113 242 F HA 0.090 4.620 4.527 0.005 0.000 0.297 242 F C 2.278 177.858 175.800 -0.367 0.000 1.103 242 F CA 1.304 58.924 58.000 -0.633 0.000 1.248 242 F CB -0.354 38.060 39.000 -0.978 0.000 0.999 242 F HN 0.101 nan 8.300 nan 0.000 0.475 243 M N 0.413 119.836 119.600 -0.295 0.000 2.117 243 M HA -0.110 4.373 4.480 0.005 0.000 0.262 243 M C 2.531 178.670 176.300 -0.268 0.000 1.065 243 M CA 1.617 56.735 55.300 -0.303 0.000 1.114 243 M CB -1.998 30.462 32.600 -0.234 0.000 1.361 243 M HN 0.299 nan 8.290 nan 0.000 0.408 244 A N -0.392 122.294 122.820 -0.223 0.000 1.933 244 A HA -0.139 4.184 4.320 0.005 0.000 0.218 244 A C 2.296 179.785 177.584 -0.158 0.000 1.175 244 A CA 2.200 54.141 52.037 -0.161 0.000 0.628 244 A CB -1.110 17.816 19.000 -0.123 0.000 0.814 244 A HN 0.491 nan 8.150 nan 0.000 0.444 245 T N 0.430 114.858 114.554 -0.211 0.000 2.720 245 T HA -0.138 4.215 4.350 0.005 0.000 0.268 245 T C 1.788 176.371 174.700 -0.195 0.000 1.037 245 T CA 1.653 63.634 62.100 -0.199 0.000 1.144 245 T CB -0.422 68.293 68.868 -0.254 0.000 0.864 245 T HN 0.445 nan 8.240 nan 0.000 0.444 246 I N 1.404 121.787 120.570 -0.312 0.000 2.163 246 I HA -0.166 4.007 4.170 0.005 0.000 0.240 246 I C 2.385 178.453 176.117 -0.082 0.000 1.081 246 I CA 1.017 62.184 61.300 -0.222 0.000 1.353 246 I CB -0.349 37.440 38.000 -0.352 0.000 1.054 246 I HN 0.138 nan 8.210 nan 0.000 0.407 247 N N 0.963 119.601 118.700 -0.104 0.000 2.309 247 N HA -0.131 4.612 4.740 0.005 0.000 0.182 247 N C 1.291 176.791 175.510 -0.016 0.000 1.018 247 N CA 1.012 54.031 53.050 -0.051 0.000 0.876 247 N CB -0.478 37.970 38.487 -0.066 0.000 0.972 247 N HN 0.330 nan 8.380 nan 0.000 0.434 248 N N -0.635 118.058 118.700 -0.011 0.000 2.398 248 N HA -0.026 4.717 4.740 0.005 0.000 0.188 248 N C 0.871 176.424 175.510 0.071 0.000 1.122 248 N CA 0.136 53.196 53.050 0.016 0.000 0.866 248 N CB 0.241 38.731 38.487 0.005 0.000 0.970 248 N HN 0.452 nan 8.380 nan 0.000 0.462 249 Y N 0.475 120.733 120.300 -0.071 0.000 2.687 249 Y HA 0.311 4.864 4.550 0.005 0.000 0.246 249 Y C -0.305 175.567 175.900 -0.047 0.000 1.061 249 Y CA 0.179 58.242 58.100 -0.061 0.000 1.400 249 Y CB 0.778 39.190 38.460 -0.082 0.000 1.325 249 Y HN -0.316 nan 8.280 nan 0.000 0.498 250 K N 2.462 122.771 120.400 -0.150 0.000 2.756 250 K HA 0.292 4.615 4.320 0.005 0.000 0.218 250 K C -2.919 173.653 176.600 -0.047 0.000 1.057 250 K CA -2.116 54.054 56.287 -0.194 0.000 1.056 250 K CB 1.664 34.008 32.500 -0.259 0.000 1.235 250 K HN 0.090 nan 8.250 nan 0.000 0.547 251 P HA 0.056 nan 4.420 nan 0.000 0.267 251 P C -0.500 176.828 177.300 0.047 0.000 1.205 251 P CA -0.179 62.927 63.100 0.009 0.000 0.765 251 P CB 1.280 32.994 31.700 0.023 0.000 0.828 252 V N 5.111 125.065 119.914 0.067 0.000 2.971 252 V HA 0.265 4.388 4.120 0.005 0.000 0.309 252 V C -0.491 175.705 176.094 0.170 0.000 1.130 252 V CA -1.086 61.297 62.300 0.138 0.000 0.964 252 V CB 2.402 34.281 31.823 0.093 0.000 1.029 252 V HN 0.488 nan 8.190 nan 0.000 0.427 253 F N 4.505 124.500 119.950 0.074 0.000 2.571 253 F HA 0.405 4.935 4.527 0.004 0.000 0.390 253 F C 0.542 176.318 175.800 -0.040 0.000 1.043 253 F CA 1.116 59.106 58.000 -0.018 0.000 1.164 253 F CB 0.597 39.498 39.000 -0.166 0.000 1.049 253 F HN 0.608 nan 8.300 nan 0.000 0.552 254 T N 6.380 120.701 114.554 -0.388 0.000 2.900 254 T HA 0.692 5.045 4.350 0.005 0.000 0.295 254 T C -1.036 173.438 174.700 -0.377 0.000 1.044 254 T CA -0.632 61.246 62.100 -0.370 0.000 0.995 254 T CB 1.221 69.970 68.868 -0.199 0.000 1.072 254 T HN 0.595 nan 8.240 nan 0.000 0.473 255 F N 0.150 119.756 119.950 -0.573 0.000 2.613 255 F HA 0.886 5.415 4.527 0.004 0.000 0.310 255 F C -0.075 175.631 175.800 -0.156 0.000 1.085 255 F CA -1.234 56.525 58.000 -0.401 0.000 0.945 255 F CB 1.241 39.917 39.000 -0.540 0.000 1.298 255 F HN 0.876 nan 8.300 nan 0.000 0.455 256 G N 0.168 109.022 108.800 0.090 0.000 2.568 256 G HA2 0.523 4.486 3.960 0.005 0.000 0.313 256 G HA3 0.523 4.486 3.960 0.005 0.000 0.313 256 G C -2.085 172.943 174.900 0.213 0.000 1.227 256 G CA -0.909 44.248 45.100 0.095 0.000 0.979 256 G HN 0.922 nan 8.290 nan 0.000 0.486 257 E N 0.073 120.403 120.200 0.217 0.000 2.113 257 E HA 0.313 4.666 4.350 0.005 0.000 0.273 257 E C -1.402 175.373 176.600 0.291 0.000 0.924 257 E CA -0.931 55.682 56.400 0.355 0.000 0.764 257 E CB 1.084 31.002 29.700 0.362 0.000 1.104 257 E HN 0.433 nan 8.360 nan 0.000 0.406 258 W N 7.795 129.160 121.300 0.109 0.000 2.499 258 W HA 0.348 5.010 4.660 0.004 0.000 0.320 258 W C -1.799 174.638 176.519 -0.138 0.000 1.010 258 W CA -1.155 56.181 57.345 -0.016 0.000 1.267 258 W CB 0.750 30.225 29.460 0.026 0.000 1.316 258 W HN 0.522 nan 8.180 nan 0.000 0.431 259 L N 5.826 126.978 121.223 -0.119 0.000 2.426 259 L HA 0.289 4.632 4.340 0.005 0.000 0.271 259 L C -0.656 176.044 176.870 -0.283 0.000 1.169 259 L CA 0.011 54.452 54.840 -0.665 0.000 0.836 259 L CB 0.698 42.499 42.059 -0.431 0.000 1.112 259 L HN 0.341 nan 8.230 nan 0.000 0.465 260 L N 3.074 124.046 121.223 -0.418 0.000 2.401 260 L HA 0.648 4.991 4.340 0.005 0.000 0.266 260 L C 0.226 177.090 176.870 -0.010 0.000 0.991 260 L CA -0.005 54.760 54.840 -0.124 0.000 0.818 260 L CB 1.873 43.829 42.059 -0.172 0.000 1.321 260 L HN 0.594 nan 8.230 nan 0.000 0.413 261 G N 1.740 110.540 108.800 0.001 0.000 2.588 261 G HA2 0.422 4.385 3.960 0.005 0.000 0.281 261 G HA3 0.422 4.385 3.960 0.005 0.000 0.281 261 G C 0.916 175.846 174.900 0.051 0.000 1.236 261 G CA -0.228 44.893 45.100 0.035 0.000 0.969 261 G HN 0.476 nan 8.290 nan 0.000 0.504 262 V N 0.629 120.573 119.914 0.050 0.000 2.231 262 V HA -0.170 3.953 4.120 0.005 0.000 0.248 262 V C 1.563 177.674 176.094 0.027 0.000 1.054 262 V CA 1.741 64.067 62.300 0.044 0.000 1.015 262 V CB -0.281 31.560 31.823 0.030 0.000 0.638 262 V HN 0.633 nan 8.190 nan 0.000 0.444 263 N N 0.420 119.128 118.700 0.014 0.000 2.538 263 N HA 0.158 4.901 4.740 0.005 0.000 0.291 263 N C -0.120 175.391 175.510 0.002 0.000 1.323 263 N CA 0.012 53.067 53.050 0.008 0.000 0.934 263 N CB 0.611 39.101 38.487 0.004 0.000 1.255 263 N HN 0.587 nan 8.380 nan 0.000 0.509 264 E N 1.223 121.419 120.200 -0.007 0.000 2.174 264 E HA 0.393 4.746 4.350 0.005 0.000 0.282 264 E C -0.779 175.786 176.600 -0.059 0.000 0.992 264 E CA -0.332 56.052 56.400 -0.025 0.000 0.803 264 E CB 1.062 30.744 29.700 -0.031 0.000 1.090 264 E HN 0.184 nan 8.360 nan 0.000 0.396 265 I N 2.965 123.514 120.570 -0.036 0.000 2.498 265 I HA 0.207 4.380 4.170 0.005 0.000 0.290 265 I C -0.499 175.613 176.117 -0.008 0.000 1.032 265 I CA -0.646 60.636 61.300 -0.030 0.000 1.073 265 I CB 2.120 40.143 38.000 0.038 0.000 1.251 265 I HN 0.322 nan 8.210 nan 0.000 0.426 266 S N 6.555 122.231 115.700 -0.040 0.000 2.532 266 S HA 0.544 5.017 4.470 0.005 0.000 0.299 266 S C -2.257 172.400 174.600 0.096 0.000 1.105 266 S CA -1.520 56.695 58.200 0.025 0.000 1.018 266 S CB 1.905 65.113 63.200 0.013 0.000 1.021 266 S HN 0.298 nan 8.310 nan 0.000 0.483 267 P HA 0.049 nan 4.420 nan 0.000 0.218 267 P C 0.733 178.103 177.300 0.118 0.000 1.152 267 P CA 0.838 64.027 63.100 0.148 0.000 0.826 267 P CB 0.201 31.965 31.700 0.106 0.000 0.790 268 E N -1.472 118.797 120.200 0.115 0.000 2.106 268 E HA -0.196 4.157 4.350 0.005 0.000 0.192 268 E C 1.893 178.368 176.600 -0.207 0.000 0.984 268 E CA 0.877 57.352 56.400 0.125 0.000 0.806 268 E CB -1.140 28.779 29.700 0.366 0.000 0.750 268 E HN 0.314 nan 8.360 nan 0.000 0.458 269 Y N 0.764 120.618 120.300 -0.744 0.000 2.081 269 Y HA -0.326 4.227 4.550 0.004 0.000 0.280 269 Y C 1.993 177.531 175.900 -0.604 0.000 1.163 269 Y CA 2.298 59.620 58.100 -1.297 0.000 1.135 269 Y CB -0.380 37.403 38.460 -1.128 0.000 0.970 269 Y HN 0.167 nan 8.280 nan 0.000 0.498 270 H N -0.783 118.252 119.070 -0.058 0.000 2.357 270 H HA -0.158 4.401 4.556 0.005 0.000 0.301 270 H C 2.355 177.666 175.328 -0.028 0.000 1.082 270 H CA 1.649 57.655 56.048 -0.070 0.000 1.342 270 H CB -0.196 29.533 29.762 -0.054 0.000 1.389 270 H HN 0.452 nan 8.280 nan 0.000 0.511 271 Q N -0.075 119.790 119.800 0.108 0.000 2.096 271 Q HA -0.202 4.141 4.340 0.005 0.000 0.204 271 Q C 1.851 177.960 176.000 0.181 0.000 0.982 271 Q CA 1.554 57.429 55.803 0.119 0.000 0.850 271 Q CB -0.127 28.671 28.738 0.101 0.000 0.901 271 Q HN 0.471 nan 8.270 nan 0.000 0.422 272 F N 0.349 120.321 119.950 0.035 0.000 2.102 272 F HA -0.134 4.396 4.527 0.005 0.000 0.298 272 F C 2.059 177.897 175.800 0.063 0.000 1.105 272 F CA 1.484 59.576 58.000 0.154 0.000 1.239 272 F CB -0.441 38.599 39.000 0.066 0.000 0.991 272 F HN 0.142 nan 8.300 nan 0.000 0.474 273 A N 0.271 123.134 122.820 0.070 0.000 1.933 273 A HA -0.208 4.115 4.320 0.005 0.000 0.218 273 A C 1.912 179.514 177.584 0.030 0.000 1.175 273 A CA 1.962 54.023 52.037 0.040 0.000 0.628 273 A CB -0.803 18.277 19.000 0.133 0.000 0.814 273 A HN 0.512 nan 8.150 nan 0.000 0.444 274 N N -0.475 118.269 118.700 0.073 0.000 2.416 274 N HA -0.023 4.720 4.740 0.005 0.000 0.177 274 N C 1.124 176.660 175.510 0.043 0.000 1.036 274 N CA 1.224 54.319 53.050 0.075 0.000 0.901 274 N CB -0.024 38.519 38.487 0.094 0.000 0.976 274 N HN 0.705 nan 8.380 nan 0.000 0.444 275 E N -0.937 119.294 120.200 0.052 0.000 2.572 275 E HA 0.101 4.454 4.350 0.005 0.000 0.220 275 E C 1.230 177.825 176.600 -0.009 0.000 0.945 275 E CA -0.016 56.450 56.400 0.110 0.000 1.070 275 E CB 0.462 30.328 29.700 0.277 0.000 1.090 275 E HN 0.234 nan 8.360 nan 0.000 0.506 276 S N -0.484 115.014 115.700 -0.336 0.000 2.414 276 S HA 0.094 4.567 4.470 0.005 0.000 0.227 276 S C 1.770 176.066 174.600 -0.507 0.000 1.022 276 S CA 0.850 58.584 58.200 -0.778 0.000 0.958 276 S CB 0.334 62.653 63.200 -1.468 0.000 0.797 276 S HN 0.314 nan 8.310 nan 0.000 0.493 277 G N 1.179 109.780 108.800 -0.332 0.000 2.231 277 G HA2 -0.161 3.802 3.960 0.005 0.000 0.206 277 G HA3 -0.161 3.802 3.960 0.005 0.000 0.206 277 G C -0.052 174.735 174.900 -0.188 0.000 0.996 277 G CA -0.018 44.944 45.100 -0.230 0.000 0.645 277 G HN 0.849 nan 8.290 nan 0.000 0.498 278 M N 0.349 119.816 119.600 -0.222 0.000 2.690 278 M HA 0.857 5.340 4.480 0.005 0.000 0.302 278 M C 0.445 176.695 176.300 -0.083 0.000 1.234 278 M CA -0.277 54.943 55.300 -0.134 0.000 0.853 278 M CB 1.997 34.553 32.600 -0.075 0.000 1.748 278 M HN 0.511 nan 8.290 nan 0.000 0.469 279 S N 1.208 116.879 115.700 -0.049 0.000 2.647 279 S HA 0.867 5.340 4.470 0.005 0.000 0.284 279 S C -0.407 174.252 174.600 0.098 0.000 1.134 279 S CA -0.844 57.360 58.200 0.007 0.000 1.027 279 S CB 0.918 64.117 63.200 -0.002 0.000 1.180 279 S HN 0.757 nan 8.310 nan 0.000 0.521 280 L N -0.124 121.160 121.223 0.101 0.000 2.376 280 L HA 0.489 4.832 4.340 0.005 0.000 0.258 280 L C -0.917 176.114 176.870 0.268 0.000 1.013 280 L CA -1.001 53.962 54.840 0.206 0.000 0.822 280 L CB 1.802 43.911 42.059 0.082 0.000 1.388 280 L HN 0.590 nan 8.230 nan 0.000 0.413 281 L N 1.519 123.015 121.223 0.454 0.000 2.490 281 L HA 0.035 4.378 4.340 0.005 0.000 0.274 281 L C 0.060 177.300 176.870 0.617 0.000 1.201 281 L CA 0.222 55.382 54.840 0.533 0.000 0.869 281 L CB 0.190 42.599 42.059 0.583 0.000 1.123 281 L HN 0.510 nan 8.230 nan 0.000 0.484 282 D N 2.833 123.521 120.400 0.480 0.000 2.522 282 D HA 0.081 4.724 4.640 0.005 0.000 0.218 282 D C 0.797 177.301 176.300 0.340 0.000 1.149 282 D CA -0.042 54.209 54.000 0.420 0.000 0.981 282 D CB 0.251 41.138 40.800 0.146 0.000 1.041 282 D HN 0.275 nan 8.370 nan 0.000 0.518 283 F N 1.233 121.477 119.950 0.491 0.000 2.234 283 F HA -0.041 4.490 4.527 0.006 0.000 0.299 283 F C 2.535 178.432 175.800 0.161 0.000 1.087 283 F CA 0.695 58.879 58.000 0.307 0.000 1.340 283 F CB 0.049 39.261 39.000 0.353 0.000 1.031 283 F HN 0.282 nan 8.300 nan 0.000 0.500 284 R N -0.239 120.482 120.500 0.368 0.000 2.091 284 R HA -0.242 4.101 4.340 0.005 0.000 0.238 284 R C 2.304 178.756 176.300 0.254 0.000 1.136 284 R CA 1.843 58.087 56.100 0.241 0.000 0.959 284 R CB -0.680 29.785 30.300 0.274 0.000 0.856 284 R HN 0.346 nan 8.270 nan 0.000 0.437 285 F N 0.708 120.742 119.950 0.139 0.000 2.084 285 F HA -0.070 4.458 4.527 0.003 0.000 0.296 285 F C 2.181 177.977 175.800 -0.007 0.000 1.111 285 F CA 1.591 59.642 58.000 0.085 0.000 1.224 285 F CB -0.400 38.630 39.000 0.049 0.000 0.991 285 F HN 0.102 nan 8.300 nan 0.000 0.471 286 A N 0.110 122.951 122.820 0.034 0.000 1.902 286 A HA -0.203 4.120 4.320 0.005 0.000 0.217 286 A C 2.142 179.699 177.584 -0.045 0.000 1.181 286 A CA 1.649 53.556 52.037 -0.215 0.000 0.623 286 A CB -0.783 17.626 19.000 -0.986 0.000 0.818 286 A HN 0.514 nan 8.150 nan 0.000 0.443 287 Q N -0.446 119.371 119.800 0.028 0.000 2.050 287 Q HA -0.179 4.164 4.340 0.005 0.000 0.202 287 Q C 2.107 178.124 176.000 0.029 0.000 0.980 287 Q CA 1.925 57.772 55.803 0.073 0.000 0.840 287 Q CB -0.404 28.402 28.738 0.115 0.000 0.898 287 Q HN 0.612 nan 8.270 nan 0.000 0.424 288 K N 0.926 121.325 120.400 -0.002 0.000 2.097 288 K HA -0.007 4.316 4.320 0.005 0.000 0.205 288 K C 1.868 178.413 176.600 -0.091 0.000 1.050 288 K CA 1.282 57.538 56.287 -0.051 0.000 0.938 288 K CB -0.509 31.957 32.500 -0.057 0.000 0.718 288 K HN 0.137 nan 8.250 nan 0.000 0.442 289 A N 0.812 123.572 122.820 -0.099 0.000 1.908 289 A HA -0.175 4.148 4.320 0.005 0.000 0.218 289 A C 2.121 179.840 177.584 0.225 0.000 1.181 289 A CA 1.752 53.811 52.037 0.038 0.000 0.627 289 A CB -0.463 18.575 19.000 0.063 0.000 0.818 289 A HN 0.356 nan 8.150 nan 0.000 0.445 290 R N -0.684 119.934 120.500 0.197 0.000 2.092 290 R HA -0.111 4.232 4.340 0.005 0.000 0.231 290 R C 2.468 178.782 176.300 0.023 0.000 1.119 290 R CA 1.489 57.691 56.100 0.170 0.000 0.970 290 R CB -0.320 30.035 30.300 0.091 0.000 0.864 290 R HN 0.680 nan 8.270 nan 0.000 0.440 291 Q N 0.011 119.801 119.800 -0.015 0.000 2.096 291 Q HA -0.141 4.202 4.340 0.005 0.000 0.204 291 Q C 2.148 178.081 176.000 -0.112 0.000 0.982 291 Q CA 1.591 57.358 55.803 -0.060 0.000 0.850 291 Q CB 0.041 28.743 28.738 -0.059 0.000 0.901 291 Q HN 0.199 nan 8.270 nan 0.000 0.422 292 V N -0.605 119.189 119.914 -0.199 0.000 2.379 292 V HA -0.139 3.984 4.120 0.005 0.000 0.243 292 V C 1.553 177.400 176.094 -0.412 0.000 1.035 292 V CA 1.528 63.585 62.300 -0.404 0.000 1.035 292 V CB -0.312 31.098 31.823 -0.688 0.000 0.673 292 V HN 0.260 nan 8.190 nan 0.000 0.457 293 F N -0.798 119.163 119.950 0.019 0.000 2.698 293 F HA 0.214 4.744 4.527 0.005 0.000 0.295 293 F C 2.386 178.295 175.800 0.181 0.000 1.124 293 F CA 0.575 58.655 58.000 0.133 0.000 1.426 293 F CB 0.193 39.331 39.000 0.231 0.000 1.120 293 F HN -0.077 nan 8.300 nan 0.000 0.583 294 R N 0.049 120.625 120.500 0.126 0.000 2.125 294 R HA 0.036 4.379 4.340 0.005 0.000 0.195 294 R C 1.054 177.277 176.300 -0.128 0.000 1.138 294 R CA 0.752 56.734 56.100 -0.196 0.000 1.123 294 R CB 0.086 29.921 30.300 -0.775 0.000 1.049 294 R HN 0.005 nan 8.270 nan 0.000 0.503 295 D N 0.383 120.715 120.400 -0.113 0.000 2.346 295 D HA -0.037 4.606 4.640 0.005 0.000 0.206 295 D C -0.083 176.182 176.300 -0.058 0.000 1.001 295 D CA 0.314 54.263 54.000 -0.085 0.000 0.871 295 D CB -0.088 40.664 40.800 -0.080 0.000 0.943 295 D HN 0.189 nan 8.370 nan 0.000 0.518 296 N N 0.842 119.507 118.700 -0.059 0.000 2.738 296 N HA -0.169 4.574 4.740 0.005 0.000 0.249 296 N C 0.127 175.607 175.510 -0.051 0.000 1.047 296 N CA 1.086 54.102 53.050 -0.057 0.000 0.707 296 N CB -1.557 36.908 38.487 -0.035 0.000 0.937 296 N HN 0.250 nan 8.380 nan 0.000 0.545 297 T N -3.933 110.588 114.554 -0.056 0.000 3.134 297 T HA 0.341 4.694 4.350 0.005 0.000 0.260 297 T C 0.075 174.747 174.700 -0.046 0.000 1.027 297 T CA -0.126 61.948 62.100 -0.043 0.000 0.913 297 T CB 0.736 69.582 68.868 -0.036 0.000 1.046 297 T HN 0.264 nan 8.240 nan 0.000 0.553 298 D N 0.815 121.176 120.400 -0.065 0.000 2.671 298 D HA 0.337 4.980 4.640 0.005 0.000 0.273 298 D C -1.440 174.804 176.300 -0.093 0.000 1.264 298 D CA -0.453 53.508 54.000 -0.065 0.000 0.788 298 D CB 1.901 42.659 40.800 -0.070 0.000 1.324 298 D HN 0.304 nan 8.370 nan 0.000 0.424 299 N N -0.487 118.171 118.700 -0.071 0.000 3.100 299 N HA 0.283 5.026 4.740 0.005 0.000 0.344 299 N C 0.928 176.353 175.510 -0.142 0.000 1.413 299 N CA -0.472 52.522 53.050 -0.094 0.000 0.752 299 N CB 0.203 38.687 38.487 -0.005 0.000 1.519 299 N HN 0.179 nan 8.380 nan 0.000 0.620 300 M N -0.893 118.597 119.600 -0.184 0.000 2.279 300 M HA -0.031 4.452 4.480 0.005 0.000 0.264 300 M C 1.220 177.355 176.300 -0.276 0.000 1.062 300 M CA 1.378 56.518 55.300 -0.266 0.000 1.099 300 M CB -1.390 31.043 32.600 -0.278 0.000 1.394 300 M HN 0.536 nan 8.290 nan 0.000 0.426 301 Y N 0.142 120.400 120.300 -0.069 0.000 2.274 301 Y HA -0.122 4.431 4.550 0.006 0.000 0.290 301 Y C 2.583 178.453 175.900 -0.049 0.000 1.145 301 Y CA 1.359 59.429 58.100 -0.049 0.000 1.203 301 Y CB -0.814 37.617 38.460 -0.048 0.000 0.984 301 Y HN 0.324 nan 8.280 nan 0.000 0.533 302 G N -0.656 108.179 108.800 0.058 0.000 2.403 302 G HA2 -0.208 3.755 3.960 0.005 0.000 0.216 302 G HA3 -0.208 3.755 3.960 0.005 0.000 0.216 302 G C 1.549 176.427 174.900 -0.038 0.000 1.154 302 G CA 0.663 45.768 45.100 0.008 0.000 0.784 302 G HN 0.292 nan 8.290 nan 0.000 0.538 303 L N 0.814 121.972 121.223 -0.108 0.000 2.027 303 L HA 0.088 4.431 4.340 0.005 0.000 0.206 303 L C 2.735 179.580 176.870 -0.043 0.000 1.074 303 L CA 2.313 57.072 54.840 -0.135 0.000 0.745 303 L CB -0.448 41.444 42.059 -0.278 0.000 0.898 303 L HN 0.238 nan 8.230 nan 0.000 0.433 304 K N -0.590 119.786 120.400 -0.039 0.000 2.044 304 K HA -0.248 4.075 4.320 0.005 0.000 0.210 304 K C 1.919 178.552 176.600 0.054 0.000 1.049 304 K CA 1.749 58.045 56.287 0.016 0.000 0.927 304 K CB -0.307 32.190 32.500 -0.006 0.000 0.713 304 K HN 0.424 nan 8.250 nan 0.000 0.443 305 A N 1.543 124.397 122.820 0.057 0.000 1.930 305 A HA -0.159 4.164 4.320 0.005 0.000 0.217 305 A C 2.136 179.757 177.584 0.061 0.000 1.175 305 A CA 1.481 53.555 52.037 0.062 0.000 0.627 305 A CB -0.527 18.507 19.000 0.058 0.000 0.815 305 A HN 0.498 nan 8.150 nan 0.000 0.443 306 M N -0.696 118.939 119.600 0.059 0.000 2.086 306 M HA -0.102 4.381 4.480 0.005 0.000 0.261 306 M C 1.860 178.241 176.300 0.135 0.000 1.067 306 M CA 1.734 57.088 55.300 0.090 0.000 1.116 306 M CB -0.756 31.887 32.600 0.072 0.000 1.348 306 M HN 0.305 nan 8.290 nan 0.000 0.407 307 L N 0.897 122.198 121.223 0.129 0.000 2.017 307 L HA -0.174 4.169 4.340 0.005 0.000 0.208 307 L C 2.288 179.241 176.870 0.138 0.000 1.073 307 L CA 1.937 56.871 54.840 0.156 0.000 0.745 307 L CB -1.177 40.955 42.059 0.122 0.000 0.894 307 L HN 0.379 nan 8.230 nan 0.000 0.432 308 E N -1.409 118.856 120.200 0.108 0.000 2.046 308 E HA -0.104 4.249 4.350 0.005 0.000 0.190 308 E C 2.133 178.779 176.600 0.076 0.000 0.982 308 E CA 0.853 57.309 56.400 0.093 0.000 0.800 308 E CB -0.426 29.323 29.700 0.082 0.000 0.756 308 E HN 0.540 nan 8.360 nan 0.000 0.449 309 G N 1.092 109.930 108.800 0.063 0.000 2.422 309 G HA2 -0.301 3.662 3.960 0.005 0.000 0.218 309 G HA3 -0.301 3.662 3.960 0.005 0.000 0.218 309 G C 1.735 176.647 174.900 0.021 0.000 1.146 309 G CA 1.224 46.340 45.100 0.027 0.000 0.769 309 G HN 0.376 nan 8.290 nan 0.000 0.547 310 S N 0.072 115.834 115.700 0.102 0.000 2.428 310 S HA 0.029 4.502 4.470 0.005 0.000 0.230 310 S C 1.901 176.644 174.600 0.238 0.000 1.014 310 S CA 1.294 59.594 58.200 0.167 0.000 0.957 310 S CB -0.038 63.400 63.200 0.396 0.000 0.784 310 S HN 0.506 nan 8.310 nan 0.000 0.499 311 E N 0.906 121.214 120.200 0.179 0.000 2.150 311 E HA -0.102 4.251 4.350 0.005 0.000 0.193 311 E C 2.031 178.694 176.600 0.104 0.000 0.985 311 E CA 1.357 57.851 56.400 0.158 0.000 0.814 311 E CB -0.088 29.685 29.700 0.123 0.000 0.752 311 E HN 0.649 nan 8.360 nan 0.000 0.466 312 V N -2.174 117.769 119.914 0.049 0.000 2.825 312 V HA -0.020 4.103 4.120 0.005 0.000 0.246 312 V C 1.363 177.433 176.094 -0.040 0.000 1.068 312 V CA 1.180 63.485 62.300 0.007 0.000 1.088 312 V CB -0.008 31.808 31.823 -0.011 0.000 0.733 312 V HN -0.005 nan 8.190 nan 0.000 0.468 313 D N -0.478 119.844 120.400 -0.130 0.000 2.194 313 D HA 0.013 4.656 4.640 0.005 0.000 0.204 313 D C 0.192 176.361 176.300 -0.218 0.000 0.964 313 D CA 1.053 54.859 54.000 -0.323 0.000 0.846 313 D CB -0.181 40.170 40.800 -0.749 0.000 0.962 313 D HN 0.557 nan 8.370 nan 0.000 0.490 314 Y N 0.269 120.590 120.300 0.035 0.000 2.350 314 Y HA 0.381 4.934 4.550 0.005 0.000 0.340 314 Y C 1.252 177.177 175.900 0.042 0.000 1.006 314 Y CA -0.756 57.404 58.100 0.101 0.000 1.166 314 Y CB 1.447 39.984 38.460 0.128 0.000 1.168 314 Y HN -0.173 nan 8.280 nan 0.000 0.502 315 A N 2.798 125.730 122.820 0.188 0.000 1.969 315 A HA -0.113 4.210 4.320 0.005 0.000 0.218 315 A C 0.711 178.326 177.584 0.051 0.000 1.169 315 A CA 1.044 53.129 52.037 0.081 0.000 0.635 315 A CB -0.163 18.872 19.000 0.057 0.000 0.810 315 A HN 0.776 nan 8.150 nan 0.000 0.445 316 Q N -0.999 118.864 119.800 0.106 0.000 2.907 316 Q HA 0.393 4.736 4.340 0.005 0.000 0.262 316 Q C 0.386 176.433 176.000 0.078 0.000 0.997 316 Q CA -0.142 55.715 55.803 0.089 0.000 0.797 316 Q CB 1.255 30.084 28.738 0.151 0.000 1.228 316 Q HN 0.118 nan 8.270 nan 0.000 0.466 317 V N 1.404 121.364 119.914 0.078 0.000 2.720 317 V HA -0.218 3.905 4.120 0.005 0.000 0.256 317 V C 0.961 177.027 176.094 -0.046 0.000 1.082 317 V CA 1.707 64.003 62.300 -0.007 0.000 1.101 317 V CB 0.065 31.955 31.823 0.111 0.000 0.693 317 V HN 0.708 nan 8.190 nan 0.000 0.479 318 N N 0.408 119.133 118.700 0.042 0.000 2.550 318 N HA -0.060 4.683 4.740 0.005 0.000 0.186 318 N C 0.969 176.480 175.510 0.002 0.000 1.110 318 N CA 0.923 53.992 53.050 0.031 0.000 0.912 318 N CB -0.127 38.441 38.487 0.136 0.000 0.968 318 N HN 0.538 nan 8.380 nan 0.000 0.448 319 D N -0.043 120.373 120.400 0.027 0.000 2.369 319 D HA 0.037 4.680 4.640 0.005 0.000 0.211 319 D C 0.090 176.416 176.300 0.043 0.000 1.077 319 D CA 0.220 54.281 54.000 0.101 0.000 0.842 319 D CB 0.394 41.318 40.800 0.207 0.000 0.947 319 D HN 0.096 nan 8.370 nan 0.000 0.509 320 Q N 0.585 120.299 119.800 -0.143 0.000 2.293 320 Q HA 0.256 4.599 4.340 0.005 0.000 0.251 320 Q C -0.045 175.847 176.000 -0.179 0.000 0.930 320 Q CA -0.352 55.317 55.803 -0.223 0.000 0.893 320 Q CB 2.058 30.494 28.738 -0.503 0.000 1.215 320 Q HN -0.121 nan 8.270 nan 0.000 0.425 321 V N 3.092 122.929 119.914 -0.128 0.000 2.348 321 V HA 0.262 4.385 4.120 0.005 0.000 0.270 321 V C 0.533 176.649 176.094 0.037 0.000 1.037 321 V CA -0.478 61.745 62.300 -0.127 0.000 0.872 321 V CB 0.816 32.431 31.823 -0.346 0.000 1.002 321 V HN 0.890 nan 8.190 nan 0.000 0.464 322 T N 2.752 117.243 114.554 -0.105 0.000 2.927 322 T HA 0.894 5.247 4.350 0.005 0.000 0.281 322 T C -0.626 174.162 174.700 0.146 0.000 0.998 322 T CA -0.517 61.438 62.100 -0.241 0.000 1.019 322 T CB 1.728 70.021 68.868 -0.958 0.000 1.061 322 T HN 0.740 nan 8.240 nan 0.000 0.518 323 F N -1.244 118.737 119.950 0.052 0.000 2.842 323 F HA 0.488 5.016 4.527 0.002 0.000 0.319 323 F C -0.121 175.821 175.800 0.237 0.000 1.159 323 F CA -1.336 56.741 58.000 0.127 0.000 0.902 323 F CB 0.664 39.721 39.000 0.095 0.000 1.311 323 F HN 0.572 nan 8.300 nan 0.000 0.453 324 I N -1.592 119.167 120.570 0.315 0.000 4.181 324 I HA 0.466 4.639 4.170 0.005 0.000 0.331 324 I C -0.891 175.483 176.117 0.429 0.000 1.312 324 I CA 0.068 61.528 61.300 0.267 0.000 1.146 324 I CB 0.582 38.633 38.000 0.086 0.000 1.074 324 I HN 0.643 nan 8.210 nan 0.000 0.402 325 D N 0.667 121.373 120.400 0.511 0.000 2.710 325 D HA 0.393 5.036 4.640 0.005 0.000 0.276 325 D C -1.095 175.261 176.300 0.093 0.000 1.267 325 D CA -0.615 53.600 54.000 0.357 0.000 0.772 325 D CB 0.791 41.769 40.800 0.296 0.000 1.299 325 D HN 0.274 nan 8.370 nan 0.000 0.421 326 N N -2.576 115.934 118.700 -0.317 0.000 3.441 326 N HA 0.114 4.857 4.740 0.005 0.000 0.313 326 N C 0.856 175.762 175.510 -1.006 0.000 1.526 326 N CA -0.350 52.153 53.050 -0.911 0.000 0.871 326 N CB -0.231 37.885 38.487 -0.618 0.000 1.779 326 N HN 0.550 nan 8.380 nan 0.000 0.529 327 H N -1.683 116.887 119.070 -0.833 0.000 2.518 327 H HA 0.015 4.573 4.556 0.004 0.000 0.294 327 H C -0.666 174.628 175.328 -0.057 0.000 1.083 327 H CA 1.385 57.277 56.048 -0.260 0.000 1.264 327 H CB -0.309 29.585 29.762 0.220 0.000 1.370 327 H HN 0.526 nan 8.280 nan 0.000 0.560 328 D N 0.370 120.481 120.400 -0.482 0.000 2.463 328 D HA 0.287 4.930 4.640 0.005 0.000 0.224 328 D C 0.200 176.486 176.300 -0.024 0.000 1.174 328 D CA 0.040 53.922 54.000 -0.197 0.000 0.829 328 D CB 0.429 41.116 40.800 -0.188 0.000 0.993 328 D HN 0.388 nan 8.370 nan 0.000 0.497 329 M N -0.192 119.389 119.600 -0.033 0.000 2.575 329 M HA 0.276 4.759 4.480 0.005 0.000 0.284 329 M C -0.338 175.987 176.300 0.042 0.000 1.253 329 M CA -0.848 54.485 55.300 0.056 0.000 0.861 329 M CB 2.742 35.420 32.600 0.130 0.000 1.733 329 M HN -0.297 nan 8.290 nan 0.000 0.462 330 E N 1.625 121.859 120.200 0.057 0.000 2.413 330 E HA 0.103 4.456 4.350 0.005 0.000 0.263 330 E C -0.563 176.092 176.600 0.090 0.000 1.015 330 E CA 0.122 56.555 56.400 0.055 0.000 0.916 330 E CB 0.589 30.308 29.700 0.031 0.000 0.947 330 E HN 0.358 nan 8.360 nan 0.000 0.440 331 R N 1.707 122.275 120.500 0.114 0.000 2.679 331 R HA -0.048 4.295 4.340 0.005 0.000 0.268 331 R C 0.919 177.343 176.300 0.207 0.000 1.044 331 R CA -0.074 56.139 56.100 0.188 0.000 1.105 331 R CB 0.262 30.668 30.300 0.177 0.000 0.989 331 R HN 0.612 nan 8.270 nan 0.000 0.447 332 F N 1.870 121.907 119.950 0.145 0.000 2.102 332 F HA -0.164 4.359 4.527 -0.008 0.000 0.298 332 F C 1.472 177.379 175.800 0.177 0.000 1.105 332 F CA 1.359 59.450 58.000 0.152 0.000 1.239 332 F CB -0.017 39.081 39.000 0.164 0.000 0.991 332 F HN 0.483 nan 8.300 nan 0.000 0.474 333 H N 1.087 120.391 119.070 0.390 0.000 2.803 333 H HA 0.156 4.692 4.556 -0.033 0.000 0.330 333 H C -0.359 175.052 175.328 0.139 0.000 1.057 333 H CA 0.206 56.426 56.048 0.287 0.000 1.458 333 H CB 0.699 30.645 29.762 0.307 0.000 1.470 333 H HN 0.198 nan 8.280 nan 0.000 0.560 334 T N 1.688 116.025 114.554 -0.361 0.000 2.943 334 T HA 0.277 4.630 4.350 0.005 0.000 0.284 334 T C 0.074 174.473 174.700 -0.502 0.000 1.015 334 T CA -1.047 60.870 62.100 -0.306 0.000 1.042 334 T CB 1.219 69.978 68.868 -0.182 0.000 1.055 334 T HN 0.577 nan 8.240 nan 0.000 0.500 335 S N 2.145 117.704 115.700 -0.235 0.000 2.533 335 S HA 0.182 4.655 4.470 0.005 0.000 0.282 335 S C 0.514 175.040 174.600 -0.122 0.000 1.304 335 S CA -0.785 57.327 58.200 -0.147 0.000 1.063 335 S CB -0.330 62.839 63.200 -0.051 0.000 0.881 335 S HN 0.823 nan 8.310 nan 0.000 0.493 336 N N 0.569 119.227 118.700 -0.069 0.000 2.725 336 N HA -0.123 4.620 4.740 0.005 0.000 0.249 336 N C 0.292 175.780 175.510 -0.037 0.000 1.103 336 N CA 1.171 54.206 53.050 -0.025 0.000 0.707 336 N CB -1.348 37.129 38.487 -0.017 0.000 1.043 336 N HN 0.973 nan 8.380 nan 0.000 0.553 337 G N -0.510 108.232 108.800 -0.097 0.000 2.462 337 G HA2 0.326 4.289 3.960 0.005 0.000 0.319 337 G HA3 0.326 4.289 3.960 0.005 0.000 0.319 337 G C -0.490 174.492 174.900 0.137 0.000 1.171 337 G CA -0.289 44.787 45.100 -0.040 0.000 0.920 337 G HN 0.113 nan 8.290 nan 0.000 0.499 338 D N -0.268 120.221 120.400 0.148 0.000 2.338 338 D HA 0.094 4.737 4.640 0.005 0.000 0.255 338 D C 1.626 178.072 176.300 0.243 0.000 1.237 338 D CA -0.192 53.905 54.000 0.162 0.000 0.883 338 D CB 0.799 41.674 40.800 0.124 0.000 1.087 338 D HN 0.344 nan 8.370 nan 0.000 0.485 339 R N 2.573 123.172 120.500 0.165 0.000 2.159 339 R HA -0.168 4.175 4.340 0.005 0.000 0.237 339 R C 1.694 178.091 176.300 0.161 0.000 1.131 339 R CA 0.796 56.941 56.100 0.074 0.000 0.982 339 R CB 0.098 30.231 30.300 -0.278 0.000 0.868 339 R HN 0.218 nan 8.270 nan 0.000 0.453 340 R N 1.655 122.233 120.500 0.130 0.000 2.189 340 R HA -0.075 4.268 4.340 0.005 0.000 0.223 340 R C 1.390 177.785 176.300 0.158 0.000 1.092 340 R CA 1.488 57.663 56.100 0.125 0.000 0.989 340 R CB -0.054 30.304 30.300 0.096 0.000 0.876 340 R HN 0.113 nan 8.270 nan 0.000 0.457 341 K N -0.087 120.454 120.400 0.235 0.000 2.057 341 K HA -0.102 4.221 4.320 0.005 0.000 0.207 341 K C 1.855 178.631 176.600 0.293 0.000 1.049 341 K CA 1.306 57.791 56.287 0.330 0.000 0.931 341 K CB -0.328 32.436 32.500 0.440 0.000 0.714 341 K HN 0.173 nan 8.250 nan 0.000 0.440 342 L N 1.712 123.110 121.223 0.292 0.000 2.027 342 L HA -0.184 4.159 4.340 0.005 0.000 0.206 342 L C 1.759 178.567 176.870 -0.103 0.000 1.074 342 L CA 1.919 56.772 54.840 0.021 0.000 0.745 342 L CB -0.391 41.794 42.059 0.211 0.000 0.898 342 L HN 0.240 nan 8.230 nan 0.000 0.433 343 E N -0.398 119.818 120.200 0.027 0.000 2.051 343 E HA -0.267 4.086 4.350 0.005 0.000 0.192 343 E C 2.150 178.707 176.600 -0.073 0.000 0.991 343 E CA 1.449 57.846 56.400 -0.004 0.000 0.799 343 E CB -0.095 29.646 29.700 0.070 0.000 0.748 343 E HN 0.605 nan 8.360 nan 0.000 0.449 344 Q N 0.126 119.877 119.800 -0.081 0.000 2.084 344 Q HA -0.148 4.195 4.340 0.005 0.000 0.202 344 Q C 2.254 178.023 176.000 -0.386 0.000 0.978 344 Q CA 1.334 57.029 55.803 -0.180 0.000 0.844 344 Q CB -0.173 28.472 28.738 -0.156 0.000 0.898 344 Q HN 0.254 nan 8.270 nan 0.000 0.426 345 A N 0.492 123.017 122.820 -0.492 0.000 1.969 345 A HA -0.138 4.185 4.320 0.005 0.000 0.218 345 A C 1.960 179.392 177.584 -0.253 0.000 1.169 345 A CA 0.837 52.543 52.037 -0.553 0.000 0.635 345 A CB -0.323 18.295 19.000 -0.637 0.000 0.810 345 A HN 0.208 nan 8.150 nan 0.000 0.445 346 L N -0.282 120.799 121.223 -0.238 0.000 2.017 346 L HA -0.121 4.222 4.340 0.005 0.000 0.208 346 L C 2.969 179.792 176.870 -0.078 0.000 1.073 346 L CA 1.953 56.714 54.840 -0.133 0.000 0.745 346 L CB -1.326 40.655 42.059 -0.130 0.000 0.894 346 L HN 0.405 nan 8.230 nan 0.000 0.432 347 A N -1.245 121.528 122.820 -0.079 0.000 1.908 347 A HA -0.290 4.033 4.320 0.005 0.000 0.218 347 A C 2.286 179.887 177.584 0.029 0.000 1.181 347 A CA 1.805 53.817 52.037 -0.042 0.000 0.627 347 A CB -1.006 17.964 19.000 -0.050 0.000 0.818 347 A HN 0.410 nan 8.150 nan 0.000 0.445 348 F N 1.511 121.395 119.950 -0.109 0.000 2.102 348 F HA -0.153 4.375 4.527 0.002 0.000 0.298 348 F C 2.436 178.314 175.800 0.130 0.000 1.105 348 F CA 2.354 60.364 58.000 0.017 0.000 1.239 348 F CB -0.856 38.015 39.000 -0.214 0.000 0.991 348 F HN 0.207 nan 8.300 nan 0.000 0.474 349 T N 1.525 116.036 114.554 -0.072 0.000 2.777 349 T HA -0.148 4.205 4.350 0.005 0.000 0.266 349 T C 2.182 176.801 174.700 -0.135 0.000 1.040 349 T CA 1.681 63.745 62.100 -0.060 0.000 1.141 349 T CB -0.580 68.342 68.868 0.090 0.000 0.868 349 T HN 0.251 nan 8.240 nan 0.000 0.444 350 L N 1.349 122.520 121.223 -0.086 0.000 2.191 350 L HA -0.066 4.277 4.340 0.005 0.000 0.212 350 L C 2.628 179.442 176.870 -0.092 0.000 1.103 350 L CA 1.379 56.167 54.840 -0.087 0.000 0.769 350 L CB -0.722 41.295 42.059 -0.070 0.000 0.908 350 L HN 0.433 nan 8.230 nan 0.000 0.438 351 T N -5.489 109.026 114.554 -0.065 0.000 3.105 351 T HA 0.198 4.551 4.350 0.005 0.000 0.253 351 T C 0.710 175.419 174.700 0.015 0.000 1.047 351 T CA -0.315 61.778 62.100 -0.013 0.000 0.944 351 T CB 0.274 69.165 68.868 0.038 0.000 1.016 351 T HN -0.005 nan 8.240 nan 0.000 0.544 352 S N 2.132 117.753 115.700 -0.131 0.000 2.745 352 S HA 0.622 5.095 4.470 0.005 0.000 0.292 352 S C 0.324 174.817 174.600 -0.178 0.000 1.133 352 S CA -1.085 57.008 58.200 -0.179 0.000 0.998 352 S CB 0.998 63.982 63.200 -0.360 0.000 1.087 352 S HN 0.617 nan 8.310 nan 0.000 0.551 353 R N 0.704 121.122 120.500 -0.137 0.000 2.738 353 R HA 0.547 4.890 4.340 0.005 0.000 0.268 353 R C 0.619 176.785 176.300 -0.223 0.000 1.062 353 R CA 0.594 56.618 56.100 -0.127 0.000 1.158 353 R CB -1.374 28.904 30.300 -0.037 0.000 1.046 353 R HN 0.970 nan 8.270 nan 0.000 0.493 354 G N -0.109 108.579 108.800 -0.187 0.000 2.451 354 G HA2 -0.169 3.794 3.960 0.005 0.000 0.208 354 G HA3 -0.169 3.794 3.960 0.005 0.000 0.208 354 G C -1.449 173.320 174.900 -0.218 0.000 1.248 354 G CA -0.313 44.659 45.100 -0.214 0.000 0.989 354 G HN 0.710 nan 8.290 nan 0.000 0.559 355 V N 3.015 122.799 119.914 -0.216 0.000 2.349 355 V HA 0.550 4.673 4.120 0.005 0.000 0.284 355 V C -1.905 174.098 176.094 -0.150 0.000 1.014 355 V CA -0.875 61.313 62.300 -0.187 0.000 0.826 355 V CB 1.759 33.457 31.823 -0.209 0.000 1.009 355 V HN 0.704 nan 8.190 nan 0.000 0.431 356 P HA 0.439 nan 4.420 nan 0.000 0.280 356 P C -0.765 176.569 177.300 0.056 0.000 1.244 356 P CA -0.121 62.943 63.100 -0.061 0.000 0.784 356 P CB 1.766 33.416 31.700 -0.084 0.000 0.913 357 A N 4.728 127.638 122.820 0.150 0.000 2.331 357 A HA 0.649 4.972 4.320 0.005 0.000 0.320 357 A C -0.469 177.253 177.584 0.230 0.000 1.138 357 A CA -0.710 51.479 52.037 0.253 0.000 0.790 357 A CB 0.704 19.947 19.000 0.405 0.000 1.206 357 A HN 0.373 nan 8.150 nan 0.000 0.470 358 I N 2.521 123.204 120.570 0.188 0.000 2.354 358 I HA 0.173 4.346 4.170 0.005 0.000 0.292 358 I C -0.606 175.540 176.117 0.048 0.000 0.989 358 I CA -0.541 60.838 61.300 0.133 0.000 1.188 358 I CB 1.047 39.137 38.000 0.149 0.000 1.342 358 I HN 0.701 nan 8.210 nan 0.000 0.457 359 Y N 8.393 128.634 120.300 -0.098 0.000 2.377 359 Y HA 0.132 4.685 4.550 0.006 0.000 0.330 359 Y C 0.212 175.911 175.900 -0.336 0.000 1.108 359 Y CA -0.918 57.069 58.100 -0.189 0.000 1.308 359 Y CB 0.246 38.642 38.460 -0.107 0.000 1.216 359 Y HN 0.480 nan 8.280 nan 0.000 0.518 360 Y N 3.714 123.571 120.300 -0.739 0.000 2.904 360 Y HA 0.302 4.859 4.550 0.013 0.000 0.336 360 Y C 1.110 176.841 175.900 -0.282 0.000 1.263 360 Y CA -0.222 57.473 58.100 -0.674 0.000 1.547 360 Y CB -0.047 38.148 38.460 -0.443 0.000 1.272 360 Y HN 0.921 nan 8.280 nan 0.000 0.596 361 G N 1.681 110.457 108.800 -0.040 0.000 2.199 361 G HA2 -0.373 3.590 3.960 0.005 0.000 0.254 361 G HA3 -0.373 3.590 3.960 0.005 0.000 0.254 361 G C 1.141 175.958 174.900 -0.138 0.000 0.982 361 G CA 0.482 45.503 45.100 -0.132 0.000 0.632 361 G HN 0.786 nan 8.290 nan 0.000 0.529 362 S N 1.145 116.771 115.700 -0.124 0.000 2.383 362 S HA -0.121 4.352 4.470 0.005 0.000 0.229 362 S C 2.079 176.550 174.600 -0.216 0.000 1.030 362 S CA 1.790 59.929 58.200 -0.103 0.000 1.002 362 S CB -0.232 62.941 63.200 -0.045 0.000 0.829 362 S HN 0.877 nan 8.310 nan 0.000 0.467 363 E N 0.878 121.014 120.200 -0.107 0.000 2.478 363 E HA -0.112 4.241 4.350 0.005 0.000 0.198 363 E C 0.735 177.219 176.600 -0.194 0.000 1.046 363 E CA 0.715 57.025 56.400 -0.150 0.000 0.870 363 E CB -0.186 29.578 29.700 0.106 0.000 0.818 363 E HN 0.408 nan 8.360 nan 0.000 0.527 364 Q N -0.159 119.565 119.800 -0.126 0.000 2.194 364 Q HA 0.091 4.434 4.340 0.005 0.000 0.214 364 Q C -0.594 175.457 176.000 0.086 0.000 0.838 364 Q CA -0.457 55.348 55.803 0.003 0.000 0.972 364 Q CB -0.212 28.545 28.738 0.031 0.000 1.131 364 Q HN 0.327 nan 8.270 nan 0.000 0.498 365 Y N -0.702 119.588 120.300 -0.017 0.000 3.125 365 Y HA -0.270 4.312 4.550 0.054 0.000 0.200 365 Y C 0.262 176.201 175.900 0.065 0.000 1.373 365 Y CA 0.136 58.192 58.100 -0.074 0.000 1.180 365 Y CB -2.398 35.907 38.460 -0.258 0.000 1.381 365 Y HN 0.201 nan 8.280 nan 0.000 0.501 366 M N 0.356 120.026 119.600 0.116 0.000 2.239 366 M HA 0.210 4.693 4.480 0.005 0.000 0.348 366 M C 0.663 177.065 176.300 0.169 0.000 1.239 366 M CA 0.799 56.152 55.300 0.089 0.000 1.114 366 M CB 0.627 33.188 32.600 -0.064 0.000 1.641 366 M HN 0.333 nan 8.290 nan 0.000 0.453 367 S N 0.940 116.727 115.700 0.145 0.000 2.664 367 S HA 0.951 5.424 4.470 0.005 0.000 0.304 367 S C -0.142 174.492 174.600 0.056 0.000 1.099 367 S CA -0.622 57.644 58.200 0.110 0.000 1.003 367 S CB 2.109 65.351 63.200 0.069 0.000 1.092 367 S HN 0.944 nan 8.310 nan 0.000 0.525 368 G N -0.286 108.540 108.800 0.043 0.000 2.368 368 G HA2 0.457 4.420 3.960 0.005 0.000 0.303 368 G HA3 0.457 4.420 3.960 0.005 0.000 0.303 368 G C -0.304 174.615 174.900 0.032 0.000 1.590 368 G CA -0.313 44.804 45.100 0.029 0.000 0.938 368 G HN 0.903 nan 8.290 nan 0.000 0.675 369 G N -0.018 108.794 108.800 0.020 0.000 2.546 369 G HA2 0.464 4.427 3.960 0.005 0.000 0.239 369 G HA3 0.464 4.427 3.960 0.005 0.000 0.239 369 G C 0.321 175.238 174.900 0.028 0.000 1.476 369 G CA -0.490 44.621 45.100 0.020 0.000 1.064 369 G HN 0.690 nan 8.290 nan 0.000 0.561 370 N N 0.370 119.085 118.700 0.024 0.000 2.381 370 N HA 0.088 4.831 4.740 0.005 0.000 0.254 370 N C -0.105 175.422 175.510 0.028 0.000 1.264 370 N CA -0.347 52.719 53.050 0.027 0.000 0.942 370 N CB 0.556 39.058 38.487 0.025 0.000 1.190 370 N HN 0.452 nan 8.380 nan 0.000 0.495 371 D N 0.908 121.328 120.400 0.034 0.000 3.139 371 D HA -0.105 4.538 4.640 0.005 0.000 0.212 371 D C -1.545 174.782 176.300 0.045 0.000 1.084 371 D CA -0.266 53.763 54.000 0.050 0.000 0.777 371 D CB 0.517 41.346 40.800 0.049 0.000 1.156 371 D HN 0.325 nan 8.370 nan 0.000 0.537 372 P HA 0.135 nan 4.420 nan 0.000 0.268 372 P C 0.087 177.398 177.300 0.017 0.000 1.329 372 P CA -0.160 62.976 63.100 0.059 0.000 0.899 372 P CB 0.571 32.306 31.700 0.059 0.000 1.378 373 D N 1.382 121.791 120.400 0.015 0.000 2.310 373 D HA -0.095 4.548 4.640 0.005 0.000 0.212 373 D C 1.212 177.522 176.300 0.016 0.000 0.965 373 D CA 0.894 54.898 54.000 0.007 0.000 0.879 373 D CB -0.255 40.550 40.800 0.009 0.000 0.921 373 D HN 0.365 nan 8.370 nan 0.000 0.510 374 N N 0.302 119.024 118.700 0.036 0.000 2.461 374 N HA -0.063 4.680 4.740 0.005 0.000 0.188 374 N C 0.447 175.997 175.510 0.067 0.000 1.134 374 N CA 0.113 53.209 53.050 0.077 0.000 0.878 374 N CB -0.109 38.441 38.487 0.106 0.000 0.972 374 N HN 0.037 nan 8.380 nan 0.000 0.456 375 R N 0.046 120.546 120.500 0.000 0.000 2.816 375 R HA 0.459 4.802 4.340 0.005 0.000 0.382 375 R C -0.217 176.097 176.300 0.024 0.000 1.140 375 R CA -0.323 55.757 56.100 -0.034 0.000 1.050 375 R CB 0.824 31.023 30.300 -0.169 0.000 1.396 375 R HN 0.149 nan 8.270 nan 0.000 0.583 376 A N 1.216 124.045 122.820 0.014 0.000 2.346 376 A HA 0.231 4.554 4.320 0.005 0.000 0.252 376 A C 0.155 177.790 177.584 0.084 0.000 1.089 376 A CA -0.386 51.656 52.037 0.008 0.000 0.797 376 A CB 0.301 19.291 19.000 -0.016 0.000 1.047 376 A HN 0.472 nan 8.150 nan 0.000 0.494 377 R N 0.434 120.959 120.500 0.041 0.000 2.590 377 R HA 0.294 4.637 4.340 0.005 0.000 0.274 377 R C -0.049 176.288 176.300 0.061 0.000 1.061 377 R CA -0.280 55.860 56.100 0.067 0.000 1.081 377 R CB 0.033 30.332 30.300 -0.003 0.000 0.984 377 R HN 0.741 nan 8.270 nan 0.000 0.448 378 L N 5.042 126.326 121.223 0.103 0.000 2.380 378 L HA 0.376 4.719 4.340 0.005 0.000 0.273 378 L C -1.771 174.955 176.870 -0.240 0.000 1.138 378 L CA -1.264 53.559 54.840 -0.029 0.000 0.832 378 L CB 1.214 43.324 42.059 0.086 0.000 1.124 378 L HN 0.629 nan 8.230 nan 0.000 0.454 379 P HA 0.033 nan 4.420 nan 0.000 0.236 379 P C 0.093 177.240 177.300 -0.256 0.000 1.177 379 P CA 0.317 63.308 63.100 -0.182 0.000 0.773 379 P CB 0.488 32.134 31.700 -0.089 0.000 0.878 380 S N -1.316 114.134 115.700 -0.416 0.000 2.565 380 S HA 0.495 4.968 4.470 0.005 0.000 0.274 380 S C -1.485 172.757 174.600 -0.596 0.000 1.144 380 S CA -0.523 57.465 58.200 -0.353 0.000 0.849 380 S CB 0.158 63.282 63.200 -0.127 0.000 1.103 380 S HN -0.193 nan 8.310 nan 0.000 0.455 381 F N 2.195 122.028 119.950 -0.195 0.000 2.855 381 F HA 0.418 4.958 4.527 0.020 0.000 0.317 381 F C 1.104 176.885 175.800 -0.031 0.000 1.169 381 F CA -0.364 57.412 58.000 -0.373 0.000 1.299 381 F CB 0.740 39.403 39.000 -0.563 0.000 0.962 381 F HN 0.480 nan 8.300 nan 0.000 0.506 382 S N -0.097 115.682 115.700 0.132 0.000 2.549 382 S HA 0.035 4.508 4.470 0.005 0.000 0.286 382 S C 1.382 175.988 174.600 0.010 0.000 1.314 382 S CA 0.283 58.529 58.200 0.076 0.000 1.062 382 S CB 0.769 63.995 63.200 0.043 0.000 0.865 382 S HN 0.320 nan 8.310 nan 0.000 0.498 383 T N 2.656 117.084 114.554 -0.210 0.000 3.069 383 T HA 0.101 4.454 4.350 0.005 0.000 0.252 383 T C 1.322 175.676 174.700 -0.577 0.000 1.053 383 T CA 0.749 62.370 62.100 -0.799 0.000 0.964 383 T CB -0.137 68.443 68.868 -0.480 0.000 1.005 383 T HN 0.836 nan 8.240 nan 0.000 0.532 384 T N 0.157 114.584 114.554 -0.212 0.000 3.176 384 T HA 0.173 4.526 4.350 0.005 0.000 0.263 384 T C 0.908 175.622 174.700 0.022 0.000 1.021 384 T CA -0.419 61.636 62.100 -0.075 0.000 0.905 384 T CB -0.367 68.477 68.868 -0.040 0.000 1.057 384 T HN 0.359 nan 8.240 nan 0.000 0.558 385 T N -0.643 113.954 114.554 0.071 0.000 2.898 385 T HA 0.216 4.569 4.350 0.005 0.000 0.301 385 T C 1.400 176.218 174.700 0.198 0.000 1.049 385 T CA -0.225 61.988 62.100 0.189 0.000 1.095 385 T CB 1.055 70.085 68.868 0.270 0.000 0.976 385 T HN 0.065 nan 8.240 nan 0.000 0.539 386 T N 1.916 116.605 114.554 0.226 0.000 2.788 386 T HA -0.046 4.307 4.350 0.005 0.000 0.268 386 T C 2.388 177.181 174.700 0.156 0.000 1.044 386 T CA 1.310 63.515 62.100 0.176 0.000 1.139 386 T CB -0.737 68.233 68.868 0.170 0.000 0.867 386 T HN 0.826 nan 8.240 nan 0.000 0.454 387 A N 0.425 123.333 122.820 0.145 0.000 1.902 387 A HA -0.107 4.217 4.320 0.005 0.000 0.217 387 A C 2.064 179.659 177.584 0.017 0.000 1.181 387 A CA 1.461 53.478 52.037 -0.033 0.000 0.623 387 A CB -1.037 17.731 19.000 -0.387 0.000 0.818 387 A HN 0.618 nan 8.150 nan 0.000 0.443 388 Y N 0.396 120.665 120.300 -0.052 0.000 2.181 388 Y HA -0.268 4.282 4.550 -0.001 0.000 0.288 388 Y C 2.615 178.489 175.900 -0.043 0.000 1.146 388 Y CA 2.340 60.412 58.100 -0.047 0.000 1.164 388 Y CB -0.191 38.256 38.460 -0.022 0.000 0.982 388 Y HN 0.425 nan 8.280 nan 0.000 0.515 389 Q N -0.761 119.182 119.800 0.238 0.000 2.119 389 Q HA -0.166 4.177 4.340 0.005 0.000 0.201 389 Q C 2.471 178.490 176.000 0.031 0.000 0.972 389 Q CA 1.919 57.805 55.803 0.138 0.000 0.847 389 Q CB -0.326 28.482 28.738 0.116 0.000 0.903 389 Q HN 0.576 nan 8.270 nan 0.000 0.433 390 V N -0.860 119.060 119.914 0.010 0.000 2.427 390 V HA -0.200 3.923 4.120 0.005 0.000 0.248 390 V C 1.866 177.920 176.094 -0.066 0.000 1.051 390 V CA 1.383 63.666 62.300 -0.029 0.000 1.048 390 V CB -0.442 31.363 31.823 -0.030 0.000 0.666 390 V HN 0.284 nan 8.190 nan 0.000 0.456 391 I N 0.404 120.914 120.570 -0.100 0.000 2.179 391 I HA -0.258 3.915 4.170 0.005 0.000 0.242 391 I C 2.863 178.883 176.117 -0.162 0.000 1.088 391 I CA 2.287 63.502 61.300 -0.141 0.000 1.357 391 I CB -0.564 37.319 38.000 -0.195 0.000 1.051 391 I HN 0.426 nan 8.210 nan 0.000 0.409 392 Q N 1.454 121.140 119.800 -0.191 0.000 2.181 392 Q HA -0.250 4.093 4.340 0.005 0.000 0.205 392 Q C 2.029 177.979 176.000 -0.083 0.000 0.980 392 Q CA 1.693 57.406 55.803 -0.150 0.000 0.862 392 Q CB 0.092 28.777 28.738 -0.089 0.000 0.905 392 Q HN 0.463 nan 8.270 nan 0.000 0.429 393 K N -0.503 119.859 120.400 -0.063 0.000 2.186 393 K HA 0.023 4.346 4.320 0.005 0.000 0.202 393 K C 1.855 178.416 176.600 -0.066 0.000 1.052 393 K CA 0.669 56.925 56.287 -0.052 0.000 0.965 393 K CB 0.310 32.786 32.500 -0.041 0.000 0.746 393 K HN 0.243 nan 8.250 nan 0.000 0.457 394 L N -0.605 120.571 121.223 -0.078 0.000 2.425 394 L HA 0.175 4.518 4.340 0.005 0.000 0.215 394 L C 2.340 179.157 176.870 -0.088 0.000 1.065 394 L CA 0.180 54.971 54.840 -0.082 0.000 0.842 394 L CB -0.194 41.817 42.059 -0.081 0.000 1.033 394 L HN 0.041 nan 8.230 nan 0.000 0.474 395 A N 1.341 124.105 122.820 -0.094 0.000 1.908 395 A HA -0.126 4.197 4.320 0.005 0.000 0.218 395 A C -0.145 177.380 177.584 -0.099 0.000 1.181 395 A CA 1.721 53.700 52.037 -0.097 0.000 0.627 395 A CB -1.753 17.186 19.000 -0.102 0.000 0.818 395 A HN 0.243 nan 8.150 nan 0.000 0.445 396 P HA -0.142 nan 4.420 nan 0.000 0.217 396 P C 1.104 178.348 177.300 -0.094 0.000 1.148 396 P CA 0.724 63.772 63.100 -0.088 0.000 0.828 396 P CB -0.073 31.584 31.700 -0.073 0.000 0.783 397 L N -0.954 120.213 121.223 -0.092 0.000 2.265 397 L HA -0.099 4.244 4.340 0.005 0.000 0.215 397 L C 2.277 179.072 176.870 -0.124 0.000 1.117 397 L CA 1.597 56.380 54.840 -0.094 0.000 0.782 397 L CB -1.054 40.954 42.059 -0.084 0.000 0.914 397 L HN -0.043 nan 8.230 nan 0.000 0.441 398 R N -0.908 119.506 120.500 -0.144 0.000 2.189 398 R HA -0.069 4.274 4.340 0.005 0.000 0.218 398 R C 1.844 178.012 176.300 -0.220 0.000 1.074 398 R CA 0.525 56.505 56.100 -0.199 0.000 0.991 398 R CB -0.050 30.134 30.300 -0.195 0.000 0.883 398 R HN 0.251 nan 8.270 nan 0.000 0.457 399 K N 0.163 120.462 120.400 -0.167 0.000 2.166 399 K HA 0.021 4.344 4.320 0.005 0.000 0.201 399 K C 2.115 178.637 176.600 -0.130 0.000 1.052 399 K CA 1.395 57.590 56.287 -0.153 0.000 0.969 399 K CB 0.104 32.530 32.500 -0.123 0.000 0.761 399 K HN 0.149 nan 8.250 nan 0.000 0.459 400 S N -0.162 115.472 115.700 -0.110 0.000 2.470 400 S HA 0.012 4.485 4.470 0.005 0.000 0.222 400 S C 0.829 175.379 174.600 -0.083 0.000 1.024 400 S CA -0.111 58.037 58.200 -0.087 0.000 0.931 400 S CB -0.186 62.972 63.200 -0.071 0.000 0.791 400 S HN 0.231 nan 8.310 nan 0.000 0.513 401 N N 2.643 121.285 118.700 -0.097 0.000 2.558 401 N HA 0.337 5.080 4.740 0.005 0.000 0.242 401 N C -2.155 173.289 175.510 -0.110 0.000 0.979 401 N CA -2.179 50.825 53.050 -0.077 0.000 0.931 401 N CB 1.708 40.159 38.487 -0.060 0.000 1.122 401 N HN 0.022 nan 8.380 nan 0.000 0.508 402 P HA -0.120 nan 4.420 nan 0.000 0.228 402 P C 0.845 178.056 177.300 -0.150 0.000 1.151 402 P CA 0.651 63.655 63.100 -0.160 0.000 0.770 402 P CB 0.304 32.039 31.700 0.058 0.000 0.786 403 A N 0.286 123.128 122.820 0.037 0.000 1.898 403 A HA -0.117 4.206 4.320 0.005 0.000 0.216 403 A C 2.313 179.893 177.584 -0.007 0.000 1.181 403 A CA 1.123 53.223 52.037 0.105 0.000 0.620 403 A CB -1.334 17.746 19.000 0.134 0.000 0.819 403 A HN 0.134 nan 8.150 nan 0.000 0.442 404 I N -0.529 119.996 120.570 -0.076 0.000 2.286 404 I HA -0.202 3.971 4.170 0.005 0.000 0.245 404 I C 2.933 178.915 176.117 -0.226 0.000 1.104 404 I CA 0.950 62.186 61.300 -0.108 0.000 1.397 404 I CB -0.291 37.645 38.000 -0.106 0.000 1.072 404 I HN 0.350 nan 8.210 nan 0.000 0.417 405 A N -0.009 122.573 122.820 -0.397 0.000 1.930 405 A HA -0.166 4.157 4.320 0.005 0.000 0.217 405 A C 1.664 178.791 177.584 -0.762 0.000 1.175 405 A CA 1.600 53.228 52.037 -0.683 0.000 0.627 405 A CB -0.505 17.845 19.000 -1.084 0.000 0.815 405 A HN 0.564 nan 8.150 nan 0.000 0.443 406 Y N -1.573 118.514 120.300 -0.355 0.000 2.610 406 Y HA 0.340 4.894 4.550 0.006 0.000 0.254 406 Y C 1.500 177.305 175.900 -0.158 0.000 1.110 406 Y CA -0.575 57.293 58.100 -0.386 0.000 1.238 406 Y CB 0.113 38.041 38.460 -0.885 0.000 1.322 406 Y HN 0.292 nan 8.280 nan 0.000 0.547 407 G N 1.083 109.921 108.800 0.063 0.000 2.572 407 G HA2 0.324 4.288 3.960 0.005 0.000 0.261 407 G HA3 0.324 4.288 3.960 0.005 0.000 0.261 407 G C 0.191 175.214 174.900 0.205 0.000 1.197 407 G CA -0.227 45.018 45.100 0.242 0.000 0.870 407 G HN 0.207 nan 8.290 nan 0.000 0.548 408 S N -0.694 115.143 115.700 0.229 0.000 2.589 408 S HA 0.460 4.933 4.470 0.005 0.000 0.265 408 S C 0.112 174.829 174.600 0.195 0.000 1.342 408 S CA -0.273 58.038 58.200 0.186 0.000 1.005 408 S CB 1.155 64.454 63.200 0.165 0.000 0.909 408 S HN 0.575 nan 8.310 nan 0.000 0.555 409 T N 1.612 116.281 114.554 0.191 0.000 2.824 409 T HA 0.508 4.861 4.350 0.005 0.000 0.282 409 T C -1.075 173.798 174.700 0.288 0.000 0.993 409 T CA -0.341 61.897 62.100 0.229 0.000 0.967 409 T CB 0.905 69.867 68.868 0.157 0.000 0.960 409 T HN 0.820 nan 8.240 nan 0.000 0.441 410 H N 1.822 121.010 119.070 0.198 0.000 3.018 410 H HA 0.330 4.889 4.556 0.005 0.000 0.334 410 H C -0.713 174.742 175.328 0.210 0.000 0.983 410 H CA -0.816 55.335 56.048 0.172 0.000 1.363 410 H CB 1.234 31.085 29.762 0.147 0.000 1.668 410 H HN 0.535 nan 8.280 nan 0.000 0.513 411 E N 4.249 124.621 120.200 0.287 0.000 2.344 411 E HA 0.104 4.457 4.350 0.005 0.000 0.270 411 E C -0.079 176.551 176.600 0.049 0.000 1.021 411 E CA -0.163 56.347 56.400 0.184 0.000 0.887 411 E CB 0.544 30.342 29.700 0.164 0.000 0.997 411 E HN 0.684 nan 8.360 nan 0.000 0.429 412 R N 3.283 123.807 120.500 0.040 0.000 2.342 412 R HA 0.136 4.479 4.340 0.005 0.000 0.204 412 R C -0.193 176.225 176.300 0.197 0.000 0.882 412 R CA 0.153 56.269 56.100 0.027 0.000 1.041 412 R CB 0.438 30.734 30.300 -0.006 0.000 1.188 412 R HN 0.583 nan 8.270 nan 0.000 0.598 413 W N 0.198 121.516 121.300 0.030 0.000 3.372 413 W HA 0.624 5.286 4.660 0.004 0.000 0.315 413 W C -1.673 174.850 176.519 0.007 0.000 1.223 413 W CA -0.622 56.738 57.345 0.025 0.000 1.202 413 W CB 1.319 30.797 29.460 0.030 0.000 1.367 413 W HN -0.162 nan 8.180 nan 0.000 0.531 414 I N 5.870 126.245 120.570 -0.325 0.000 2.842 414 I HA 0.411 4.585 4.170 0.005 0.000 0.297 414 I C -1.265 174.528 176.117 -0.540 0.000 1.380 414 I CA -0.486 60.646 61.300 -0.280 0.000 1.018 414 I CB 1.713 39.518 38.000 -0.326 0.000 1.311 414 I HN 0.740 nan 8.210 nan 0.000 0.439 415 N N 3.058 121.581 118.700 -0.295 0.000 3.418 415 N HA 0.359 5.102 4.740 0.005 0.000 0.316 415 N C -0.562 174.890 175.510 -0.097 0.000 1.601 415 N CA -0.854 52.098 53.050 -0.163 0.000 0.805 415 N CB 0.563 39.008 38.487 -0.071 0.000 1.873 415 N HN 0.355 nan 8.380 nan 0.000 0.615 416 N N 0.058 118.791 118.700 0.055 0.000 2.149 416 N HA -0.099 4.644 4.740 0.005 0.000 0.188 416 N C -0.076 175.428 175.510 -0.010 0.000 1.019 416 N CA 1.465 54.547 53.050 0.053 0.000 0.857 416 N CB -0.364 38.170 38.487 0.079 0.000 0.997 416 N HN 0.475 nan 8.380 nan 0.000 0.426 417 D N -0.720 119.693 120.400 0.022 0.000 2.433 417 D HA 0.160 4.803 4.640 0.005 0.000 0.211 417 D C -0.299 176.035 176.300 0.056 0.000 1.114 417 D CA 0.134 54.145 54.000 0.020 0.000 0.837 417 D CB 1.308 42.136 40.800 0.046 0.000 0.984 417 D HN -0.089 nan 8.370 nan 0.000 0.505 418 V N 1.665 121.643 119.914 0.106 0.000 2.656 418 V HA 0.477 4.600 4.120 0.005 0.000 0.307 418 V C -0.431 175.778 176.094 0.191 0.000 1.051 418 V CA -0.858 61.557 62.300 0.191 0.000 0.893 418 V CB 3.097 35.118 31.823 0.329 0.000 0.999 418 V HN -0.075 nan 8.190 nan 0.000 0.426 419 I N 4.771 125.467 120.570 0.210 0.000 2.647 419 I HA 0.608 4.781 4.170 0.005 0.000 0.295 419 I C -1.469 174.837 176.117 0.314 0.000 1.078 419 I CA -0.754 60.689 61.300 0.238 0.000 1.048 419 I CB 2.035 40.150 38.000 0.191 0.000 1.239 419 I HN 0.554 nan 8.210 nan 0.000 0.421 420 I N 7.926 128.696 120.570 0.333 0.000 2.439 420 I HA 0.311 4.484 4.170 0.005 0.000 0.285 420 I C -1.295 174.984 176.117 0.270 0.000 1.021 420 I CA -0.654 60.800 61.300 0.258 0.000 1.091 420 I CB 1.439 39.607 38.000 0.280 0.000 1.242 420 I HN 0.441 nan 8.210 nan 0.000 0.439 421 Y N 3.165 123.567 120.300 0.169 0.000 2.549 421 Y HA 0.761 5.313 4.550 0.003 0.000 0.339 421 Y C -0.579 175.389 175.900 0.113 0.000 1.053 421 Y CA -1.349 56.833 58.100 0.136 0.000 1.105 421 Y CB 1.058 39.625 38.460 0.179 0.000 1.258 421 Y HN 0.485 nan 8.280 nan 0.000 0.478 422 E N 2.042 122.383 120.200 0.235 0.000 2.222 422 E HA 0.475 4.828 4.350 0.005 0.000 0.267 422 E C -1.188 175.565 176.600 0.255 0.000 0.884 422 E CA -1.149 55.344 56.400 0.156 0.000 0.764 422 E CB 1.066 30.807 29.700 0.069 0.000 1.169 422 E HN 0.627 nan 8.360 nan 0.000 0.413 423 R N 3.385 124.009 120.500 0.207 0.000 2.445 423 R HA 0.449 4.793 4.340 0.005 0.000 0.308 423 R C -0.737 175.676 176.300 0.188 0.000 0.961 423 R CA -0.640 55.584 56.100 0.207 0.000 0.862 423 R CB 1.518 31.917 30.300 0.165 0.000 1.144 423 R HN 0.512 nan 8.270 nan 0.000 0.447 424 K N 2.249 122.779 120.400 0.217 0.000 2.501 424 K HA 0.460 4.783 4.320 0.005 0.000 0.252 424 K C -1.841 174.939 176.600 0.300 0.000 0.934 424 K CA -0.600 55.820 56.287 0.222 0.000 0.797 424 K CB 1.478 34.094 32.500 0.194 0.000 1.270 424 K HN 0.405 nan 8.250 nan 0.000 0.431 425 F N 4.186 124.192 119.950 0.094 0.000 2.831 425 F HA 0.410 4.941 4.527 0.006 0.000 0.346 425 F C 0.252 176.092 175.800 0.067 0.000 1.224 425 F CA 0.696 58.749 58.000 0.089 0.000 1.048 425 F CB 1.177 40.246 39.000 0.115 0.000 1.339 425 F HN 0.849 nan 8.300 nan 0.000 0.514 426 G N 5.322 113.951 108.800 -0.284 0.000 2.561 426 G HA2 -0.365 3.598 3.960 0.005 0.000 0.289 426 G HA3 -0.365 3.598 3.960 0.005 0.000 0.289 426 G C 0.544 175.433 174.900 -0.018 0.000 1.169 426 G CA 0.452 45.428 45.100 -0.206 0.000 0.980 426 G HN 0.637 nan 8.290 nan 0.000 0.550 427 N N 2.385 121.107 118.700 0.036 0.000 2.214 427 N HA 0.087 4.830 4.740 0.005 0.000 0.214 427 N C -0.007 175.620 175.510 0.195 0.000 1.132 427 N CA -0.026 53.097 53.050 0.121 0.000 0.856 427 N CB 0.061 38.634 38.487 0.143 0.000 1.020 427 N HN 0.481 nan 8.380 nan 0.000 0.509 428 N N 1.039 119.831 118.700 0.154 0.000 2.499 428 N HA 0.263 5.006 4.740 0.005 0.000 0.281 428 N C -0.476 175.140 175.510 0.176 0.000 1.098 428 N CA 0.054 53.192 53.050 0.148 0.000 0.979 428 N CB 2.340 40.911 38.487 0.140 0.000 1.121 428 N HN -0.222 nan 8.380 nan 0.000 0.466 429 V N 0.337 120.351 119.914 0.168 0.000 2.841 429 V HA 0.755 4.878 4.120 0.005 0.000 0.310 429 V C -0.604 175.546 176.094 0.094 0.000 1.090 429 V CA -0.927 61.456 62.300 0.139 0.000 0.930 429 V CB 1.854 33.754 31.823 0.128 0.000 1.014 429 V HN 0.806 nan 8.190 nan 0.000 0.425 430 A N 3.012 125.874 122.820 0.071 0.000 2.449 430 A HA 0.945 5.268 4.320 0.005 0.000 0.302 430 A C -1.405 176.189 177.584 0.016 0.000 1.048 430 A CA -0.604 51.452 52.037 0.031 0.000 0.708 430 A CB 2.070 21.076 19.000 0.011 0.000 1.274 430 A HN 0.771 nan 8.150 nan 0.000 0.410 431 V N 2.110 122.026 119.914 0.003 0.000 2.638 431 V HA 0.597 4.720 4.120 0.005 0.000 0.306 431 V C -0.728 175.280 176.094 -0.142 0.000 1.052 431 V CA -0.503 61.805 62.300 0.013 0.000 0.885 431 V CB 1.795 33.738 31.823 0.200 0.000 0.999 431 V HN 0.746 nan 8.190 nan 0.000 0.424 432 V N 3.253 122.931 119.914 -0.393 0.000 2.588 432 V HA 0.880 5.003 4.120 0.005 0.000 0.304 432 V C 0.042 175.905 176.094 -0.386 0.000 1.042 432 V CA -0.574 61.394 62.300 -0.553 0.000 0.877 432 V CB 1.843 33.165 31.823 -0.836 0.000 0.996 432 V HN 1.007 nan 8.190 nan 0.000 0.425 433 A N 6.043 128.706 122.820 -0.261 0.000 2.330 433 A HA 0.943 5.266 4.320 0.005 0.000 0.313 433 A C -0.918 176.678 177.584 0.021 0.000 1.124 433 A CA -0.469 51.568 52.037 0.001 0.000 0.774 433 A CB 0.850 19.968 19.000 0.198 0.000 1.198 433 A HN 0.778 nan 8.150 nan 0.000 0.465 434 I N 2.355 123.002 120.570 0.129 0.000 2.478 434 I HA 0.269 4.442 4.170 0.005 0.000 0.287 434 I C -0.670 175.550 176.117 0.172 0.000 1.042 434 I CA -0.711 60.685 61.300 0.159 0.000 1.067 434 I CB 2.285 40.442 38.000 0.263 0.000 1.233 434 I HN 0.645 nan 8.210 nan 0.000 0.431 435 N N 5.652 124.437 118.700 0.141 0.000 2.546 435 N HA 0.221 4.964 4.740 0.005 0.000 0.238 435 N C 0.867 176.461 175.510 0.140 0.000 0.984 435 N CA -0.716 52.410 53.050 0.125 0.000 0.935 435 N CB 0.806 39.349 38.487 0.093 0.000 1.122 435 N HN 0.600 nan 8.380 nan 0.000 0.510 436 R N 2.021 122.611 120.500 0.150 0.000 2.316 436 R HA 0.047 4.390 4.340 0.005 0.000 0.202 436 R C 0.001 176.364 176.300 0.106 0.000 1.029 436 R CA 0.152 56.349 56.100 0.162 0.000 1.018 436 R CB -0.129 30.237 30.300 0.110 0.000 0.888 436 R HN 0.283 nan 8.270 nan 0.000 0.471 437 N N 1.327 120.076 118.700 0.081 0.000 2.420 437 N HA 0.012 4.755 4.740 0.005 0.000 0.262 437 N C 0.380 175.930 175.510 0.068 0.000 1.144 437 N CA -0.068 53.020 53.050 0.065 0.000 0.952 437 N CB 0.941 39.462 38.487 0.056 0.000 1.081 437 N HN 0.152 nan 8.380 nan 0.000 0.480 438 M N 2.854 122.493 119.600 0.065 0.000 2.618 438 M HA 0.015 4.498 4.480 0.005 0.000 0.240 438 M C 0.238 176.568 176.300 0.050 0.000 1.123 438 M CA 0.744 56.081 55.300 0.063 0.000 1.060 438 M CB -0.859 31.780 32.600 0.065 0.000 1.535 438 M HN 0.508 nan 8.290 nan 0.000 0.507 439 N N -0.838 117.888 118.700 0.044 0.000 2.239 439 N HA 0.048 4.791 4.740 0.005 0.000 0.208 439 N C -0.513 175.018 175.510 0.035 0.000 1.200 439 N CA 0.119 53.191 53.050 0.037 0.000 0.895 439 N CB 0.929 39.435 38.487 0.031 0.000 1.085 439 N HN 0.035 nan 8.380 nan 0.000 0.500 440 T N 2.579 117.156 114.554 0.039 0.000 2.812 440 T HA 0.369 4.722 4.350 0.005 0.000 0.282 440 T C -2.790 171.933 174.700 0.038 0.000 0.990 440 T CA -1.501 60.621 62.100 0.036 0.000 0.960 440 T CB 2.398 71.289 68.868 0.038 0.000 0.948 440 T HN -0.097 nan 8.240 nan 0.000 0.438 441 P HA 0.416 nan 4.420 nan 0.000 0.272 441 P C -1.219 176.087 177.300 0.011 0.000 1.230 441 P CA -0.513 62.601 63.100 0.023 0.000 0.788 441 P CB 0.671 32.383 31.700 0.021 0.000 0.949 442 A N 1.743 124.551 122.820 -0.021 0.000 2.318 442 A HA 0.493 4.816 4.320 0.005 0.000 0.317 442 A C -0.030 177.447 177.584 -0.179 0.000 1.159 442 A CA -0.538 51.463 52.037 -0.059 0.000 0.799 442 A CB 0.593 19.557 19.000 -0.061 0.000 1.194 442 A HN 0.401 nan 8.150 nan 0.000 0.479 443 S N 2.797 118.406 115.700 -0.152 0.000 2.416 443 S HA 0.354 4.827 4.470 0.005 0.000 0.287 443 S C -0.026 174.326 174.600 -0.413 0.000 1.139 443 S CA -0.304 57.760 58.200 -0.227 0.000 1.058 443 S CB -0.102 63.044 63.200 -0.089 0.000 0.967 443 S HN 0.485 nan 8.310 nan 0.000 0.495 444 I N 4.234 124.339 120.570 -0.776 0.000 2.297 444 I HA 0.313 4.486 4.170 0.005 0.000 0.291 444 I C 0.377 176.119 176.117 -0.625 0.000 1.033 444 I CA -0.195 60.433 61.300 -1.120 0.000 1.253 444 I CB 0.167 37.124 38.000 -1.738 0.000 1.396 444 I HN 0.407 nan 8.210 nan 0.000 0.476 445 T N 3.317 117.717 114.554 -0.257 0.000 2.861 445 T HA 0.615 4.968 4.350 0.005 0.000 0.287 445 T C 0.722 175.516 174.700 0.156 0.000 1.003 445 T CA -0.229 61.853 62.100 -0.030 0.000 0.977 445 T CB 1.941 70.837 68.868 0.046 0.000 0.996 445 T HN 0.923 nan 8.240 nan 0.000 0.448 446 G N 1.573 110.442 108.800 0.115 0.000 2.141 446 G HA2 -0.180 3.783 3.960 0.005 0.000 0.231 446 G HA3 -0.180 3.783 3.960 0.005 0.000 0.231 446 G C -0.128 174.900 174.900 0.213 0.000 0.984 446 G CA -0.279 44.926 45.100 0.175 0.000 0.660 446 G HN 0.740 nan 8.290 nan 0.000 0.525 447 L N 1.543 122.853 121.223 0.145 0.000 2.418 447 L HA 0.651 4.994 4.340 0.005 0.000 0.274 447 L C 0.236 177.166 176.870 0.100 0.000 1.135 447 L CA -0.385 54.547 54.840 0.153 0.000 0.870 447 L CB 1.324 43.430 42.059 0.078 0.000 1.154 447 L HN 0.090 nan 8.230 nan 0.000 0.462 448 V N 4.770 124.743 119.914 0.099 0.000 2.555 448 V HA 0.735 4.858 4.120 0.005 0.000 0.302 448 V C 0.261 176.376 176.094 0.034 0.000 1.038 448 V CA -0.071 62.264 62.300 0.058 0.000 0.887 448 V CB 1.853 33.718 31.823 0.070 0.000 0.991 448 V HN 0.978 nan 8.190 nan 0.000 0.434 449 T N 0.282 114.840 114.554 0.007 0.000 2.864 449 T HA 0.378 4.731 4.350 0.005 0.000 0.289 449 T C 0.401 175.102 174.700 0.000 0.000 1.082 449 T CA -0.497 61.596 62.100 -0.010 0.000 1.009 449 T CB 1.877 70.711 68.868 -0.057 0.000 1.234 449 T HN 0.319 nan 8.240 nan 0.000 0.526 450 S N 0.273 115.980 115.700 0.011 0.000 2.634 450 S HA 0.243 4.716 4.470 0.005 0.000 0.221 450 S C 0.260 174.839 174.600 -0.035 0.000 0.952 450 S CA -0.437 57.774 58.200 0.018 0.000 0.930 450 S CB -0.591 62.649 63.200 0.067 0.000 0.780 450 S HN 0.442 nan 8.310 nan 0.000 0.498 451 L N 2.987 124.150 121.223 -0.100 0.000 2.426 451 L HA 0.353 4.696 4.340 0.005 0.000 0.271 451 L C -2.193 174.597 176.870 -0.134 0.000 1.169 451 L CA -2.319 52.405 54.840 -0.193 0.000 0.836 451 L CB -0.538 41.272 42.059 -0.414 0.000 1.112 451 L HN -0.025 nan 8.230 nan 0.000 0.465 452 P HA 0.079 nan 4.420 nan 0.000 0.268 452 P C -0.962 176.340 177.300 0.002 0.000 1.208 452 P CA -0.400 62.602 63.100 -0.165 0.000 0.777 452 P CB 0.306 31.763 31.700 -0.404 0.000 0.875 453 R N 1.112 121.598 120.500 -0.024 0.000 2.590 453 R HA 0.602 4.945 4.340 0.005 0.000 0.274 453 R C 0.464 176.739 176.300 -0.042 0.000 1.061 453 R CA -0.087 56.010 56.100 -0.005 0.000 1.081 453 R CB -0.237 30.047 30.300 -0.027 0.000 0.984 453 R HN 0.702 nan 8.270 nan 0.000 0.448 454 G N 0.750 109.505 108.800 -0.075 0.000 2.356 454 G HA2 0.247 4.210 3.960 0.005 0.000 0.288 454 G HA3 0.247 4.210 3.960 0.005 0.000 0.288 454 G C -1.441 173.259 174.900 -0.334 0.000 1.302 454 G CA -0.458 44.502 45.100 -0.233 0.000 0.887 454 G HN 0.928 nan 8.290 nan 0.000 0.521 455 S N -1.122 114.305 115.700 -0.456 0.000 2.536 455 S HA 0.834 5.307 4.470 0.005 0.000 0.298 455 S C -1.447 172.837 174.600 -0.528 0.000 1.083 455 S CA -0.772 57.217 58.200 -0.353 0.000 0.995 455 S CB 2.018 65.104 63.200 -0.191 0.000 1.058 455 S HN 0.792 nan 8.310 nan 0.000 0.488 456 Y N 0.700 120.934 120.300 -0.111 0.000 2.361 456 Y HA 0.417 4.969 4.550 0.004 0.000 0.337 456 Y C 0.371 176.330 175.900 0.099 0.000 0.965 456 Y CA -0.830 57.272 58.100 0.004 0.000 1.091 456 Y CB 1.519 39.976 38.460 -0.005 0.000 1.182 456 Y HN 0.733 nan 8.280 nan 0.000 0.450 457 N N 1.628 120.475 118.700 0.244 0.000 2.508 457 N HA 0.022 4.765 4.740 0.005 0.000 0.264 457 N C -0.996 174.707 175.510 0.322 0.000 1.216 457 N CA -0.498 52.683 53.050 0.219 0.000 0.943 457 N CB 0.492 39.050 38.487 0.118 0.000 1.113 457 N HN 0.591 nan 8.380 nan 0.000 0.447 458 D N 1.361 121.899 120.400 0.231 0.000 2.450 458 D HA -0.028 4.615 4.640 0.005 0.000 0.247 458 D C 0.862 177.147 176.300 -0.026 0.000 1.162 458 D CA -0.122 53.879 54.000 0.002 0.000 0.879 458 D CB 0.911 41.691 40.800 -0.033 0.000 1.163 458 D HN 0.160 nan 8.370 nan 0.000 0.472 459 V N 4.364 124.228 119.914 -0.082 0.000 2.594 459 V HA -0.203 3.920 4.120 0.005 0.000 0.253 459 V C 2.204 178.262 176.094 -0.059 0.000 1.069 459 V CA 1.249 63.519 62.300 -0.051 0.000 1.082 459 V CB -0.495 31.287 31.823 -0.068 0.000 0.680 459 V HN 0.645 nan 8.190 nan 0.000 0.469 460 L N 0.483 121.651 121.223 -0.092 0.000 2.610 460 L HA 0.167 4.510 4.340 0.005 0.000 0.232 460 L C 1.813 178.662 176.870 -0.034 0.000 1.149 460 L CA 0.835 55.635 54.840 -0.067 0.000 0.872 460 L CB -0.756 41.248 42.059 -0.092 0.000 0.992 460 L HN 0.539 nan 8.230 nan 0.000 0.447 461 G N -0.060 108.727 108.800 -0.021 0.000 2.203 461 G HA2 -0.278 3.686 3.960 0.005 0.000 0.263 461 G HA3 -0.278 3.686 3.960 0.005 0.000 0.263 461 G C 0.986 175.890 174.900 0.005 0.000 1.012 461 G CA 0.340 45.440 45.100 0.001 0.000 0.749 461 G HN 0.703 nan 8.290 nan 0.000 0.512 462 G N -0.758 108.040 108.800 -0.003 0.000 2.179 462 G HA2 -0.273 3.690 3.960 0.005 0.000 0.260 462 G HA3 -0.273 3.690 3.960 0.005 0.000 0.260 462 G C 1.294 176.199 174.900 0.008 0.000 0.977 462 G CA 1.100 46.205 45.100 0.008 0.000 0.641 462 G HN 1.975 nan 8.290 nan 0.000 0.533 463 I N -1.934 118.638 120.570 0.003 0.000 2.756 463 I HA 0.281 4.454 4.170 0.005 0.000 0.262 463 I C 1.485 177.611 176.117 0.015 0.000 1.225 463 I CA 1.055 62.363 61.300 0.013 0.000 1.472 463 I CB -0.137 37.874 38.000 0.018 0.000 1.094 463 I HN 0.184 nan 8.210 nan 0.000 0.454 464 L N 2.326 123.550 121.223 0.002 0.000 3.094 464 L HA 0.359 4.702 4.340 0.005 0.000 0.254 464 L C -0.128 176.749 176.870 0.011 0.000 1.298 464 L CA -0.295 54.549 54.840 0.008 0.000 1.050 464 L CB -0.490 41.565 42.059 -0.006 0.000 1.420 464 L HN 0.241 nan 8.230 nan 0.000 0.548 465 N N 0.032 118.743 118.700 0.018 0.000 2.741 465 N HA -0.143 4.600 4.740 0.005 0.000 0.250 465 N C 0.581 176.114 175.510 0.039 0.000 1.115 465 N CA 1.026 54.095 53.050 0.032 0.000 0.724 465 N CB -1.186 37.326 38.487 0.042 0.000 1.090 465 N HN 0.601 nan 8.380 nan 0.000 0.558 466 G N -0.015 108.793 108.800 0.013 0.000 2.599 466 G HA2 0.460 4.423 3.960 0.005 0.000 0.264 466 G HA3 0.460 4.423 3.960 0.005 0.000 0.264 466 G C 0.410 175.353 174.900 0.070 0.000 1.200 466 G CA 0.045 45.151 45.100 0.011 0.000 0.896 466 G HN 0.557 nan 8.290 nan 0.000 0.536 467 N N -1.993 116.797 118.700 0.151 0.000 2.761 467 N HA 0.530 5.273 4.740 0.005 0.000 0.283 467 N C -0.765 174.896 175.510 0.252 0.000 1.377 467 N CA -0.815 52.329 53.050 0.157 0.000 0.791 467 N CB 1.371 39.935 38.487 0.129 0.000 1.540 467 N HN 0.315 nan 8.380 nan 0.000 0.539 468 T N 0.722 115.341 114.554 0.108 0.000 2.856 468 T HA 0.322 4.675 4.350 0.005 0.000 0.292 468 T C -0.595 173.977 174.700 -0.215 0.000 0.980 468 T CA -0.267 61.866 62.100 0.055 0.000 1.091 468 T CB 0.279 69.151 68.868 0.007 0.000 0.936 468 T HN 0.377 nan 8.240 nan 0.000 0.503 469 L N 3.561 124.497 121.223 -0.480 0.000 2.309 469 L HA 0.521 4.864 4.340 0.005 0.000 0.282 469 L C -0.022 176.624 176.870 -0.374 0.000 1.036 469 L CA 0.082 54.421 54.840 -0.835 0.000 0.806 469 L CB 1.602 42.673 42.059 -1.646 0.000 1.220 469 L HN 0.584 nan 8.230 nan 0.000 0.429 470 T N 4.215 118.597 114.554 -0.286 0.000 2.786 470 T HA 0.592 4.945 4.350 0.005 0.000 0.283 470 T C -0.790 173.846 174.700 -0.106 0.000 0.992 470 T CA -0.374 61.640 62.100 -0.143 0.000 0.954 470 T CB 1.273 70.076 68.868 -0.108 0.000 0.934 470 T HN 0.308 nan 8.240 nan 0.000 0.440 471 V N 3.041 122.935 119.914 -0.033 0.000 2.459 471 V HA 0.756 4.879 4.120 0.005 0.000 0.295 471 V C 0.846 176.932 176.094 -0.012 0.000 1.029 471 V CA -0.552 61.740 62.300 -0.014 0.000 0.874 471 V CB 1.706 33.563 31.823 0.057 0.000 0.985 471 V HN 1.000 nan 8.190 nan 0.000 0.438 472 G N 2.435 111.225 108.800 -0.017 0.000 2.641 472 G HA2 0.674 4.637 3.960 0.005 0.000 0.239 472 G HA3 0.674 4.637 3.960 0.005 0.000 0.239 472 G C 0.002 174.895 174.900 -0.012 0.000 1.402 472 G CA -0.169 44.921 45.100 -0.016 0.000 1.046 472 G HN 1.040 nan 8.290 nan 0.000 0.565 473 A N -1.889 120.925 122.820 -0.010 0.000 2.425 473 A HA 0.531 4.854 4.320 0.005 0.000 0.249 473 A C 1.409 178.991 177.584 -0.003 0.000 1.084 473 A CA 1.042 53.074 52.037 -0.008 0.000 0.781 473 A CB -0.233 18.763 19.000 -0.006 0.000 1.019 473 A HN 2.492 nan 8.150 nan 0.000 0.490 474 G N 0.343 109.141 108.800 -0.003 0.000 2.148 474 G HA2 0.154 4.117 3.960 0.005 0.000 0.254 474 G HA3 0.154 4.117 3.960 0.005 0.000 0.254 474 G C 1.614 176.517 174.900 0.005 0.000 0.981 474 G CA 0.986 46.088 45.100 0.004 0.000 0.670 474 G HN 2.795 nan 8.290 nan 0.000 0.528 475 G N -1.392 107.404 108.800 -0.006 0.000 2.162 475 G HA2 0.159 4.122 3.960 0.005 0.000 0.260 475 G HA3 0.159 4.122 3.960 0.005 0.000 0.260 475 G C 0.768 175.662 174.900 -0.010 0.000 0.976 475 G CA 1.232 46.324 45.100 -0.014 0.000 0.655 475 G HN 2.341 nan 8.290 nan 0.000 0.533 476 A N 0.112 122.932 122.820 0.001 0.000 2.404 476 A HA 0.811 5.134 4.320 0.005 0.000 0.273 476 A C 0.815 178.396 177.584 -0.004 0.000 1.144 476 A CA 0.933 52.976 52.037 0.010 0.000 0.806 476 A CB 0.502 19.513 19.000 0.018 0.000 1.080 476 A HN 2.029 nan 8.150 nan 0.000 0.509 477 A N 3.163 125.980 122.820 -0.004 0.000 2.327 477 A HA 0.585 4.908 4.320 0.005 0.000 0.283 477 A C 0.767 178.363 177.584 0.021 0.000 1.127 477 A CA -0.336 51.687 52.037 -0.024 0.000 0.810 477 A CB 0.075 19.049 19.000 -0.044 0.000 1.066 477 A HN 0.929 nan 8.150 nan 0.000 0.492 478 S N 2.008 117.713 115.700 0.007 0.000 2.568 478 S HA 0.081 4.554 4.470 0.005 0.000 0.282 478 S C 0.369 175.042 174.600 0.122 0.000 1.338 478 S CA -0.475 57.747 58.200 0.037 0.000 1.045 478 S CB 0.028 63.233 63.200 0.007 0.000 0.873 478 S HN 0.740 nan 8.310 nan 0.000 0.516 479 N N 2.023 120.770 118.700 0.077 0.000 2.412 479 N HA 0.370 5.113 4.740 0.005 0.000 0.254 479 N C -0.417 175.174 175.510 0.136 0.000 1.232 479 N CA 0.331 53.404 53.050 0.038 0.000 0.880 479 N CB -0.317 38.161 38.487 -0.016 0.000 1.076 479 N HN 0.595 nan 8.380 nan 0.000 0.458 480 F N -2.603 117.286 119.950 -0.101 0.000 2.711 480 F HA 0.599 5.128 4.527 0.004 0.000 0.313 480 F C -0.616 175.136 175.800 -0.080 0.000 1.141 480 F CA -1.117 56.835 58.000 -0.079 0.000 0.941 480 F CB 1.047 39.997 39.000 -0.085 0.000 1.349 480 F HN 0.049 nan 8.300 nan 0.000 0.464 481 T N 2.842 117.459 114.554 0.105 0.000 2.771 481 T HA 0.446 4.799 4.350 0.005 0.000 0.281 481 T C -0.743 174.051 174.700 0.156 0.000 0.982 481 T CA -0.437 61.665 62.100 0.004 0.000 0.978 481 T CB 1.133 70.020 68.868 0.031 0.000 0.930 481 T HN 0.618 nan 8.240 nan 0.000 0.447 482 L N 3.555 124.798 121.223 0.034 0.000 2.260 482 L HA 0.549 4.892 4.340 0.005 0.000 0.289 482 L C 0.879 177.796 176.870 0.078 0.000 1.057 482 L CA -0.746 54.175 54.840 0.136 0.000 0.811 482 L CB 0.559 42.661 42.059 0.071 0.000 1.184 482 L HN 0.769 nan 8.230 nan 0.000 0.429 483 A N 7.133 130.012 122.820 0.099 0.000 2.536 483 A HA 0.236 4.559 4.320 0.005 0.000 0.234 483 A C -2.280 175.341 177.584 0.062 0.000 1.076 483 A CA -0.798 51.281 52.037 0.070 0.000 0.769 483 A CB -0.599 18.443 19.000 0.070 0.000 1.020 483 A HN 0.535 nan 8.150 nan 0.000 0.508 484 P HA 0.184 nan 4.420 nan 0.000 0.261 484 P C 0.989 178.327 177.300 0.062 0.000 1.183 484 P CA 1.905 65.039 63.100 0.056 0.000 0.761 484 P CB 0.335 32.064 31.700 0.048 0.000 0.785 485 G N 2.385 111.230 108.800 0.074 0.000 2.175 485 G HA2 -0.221 3.742 3.960 0.005 0.000 0.265 485 G HA3 -0.221 3.742 3.960 0.005 0.000 0.265 485 G C 0.660 175.603 174.900 0.071 0.000 0.979 485 G CA -0.056 45.093 45.100 0.081 0.000 0.663 485 G HN 0.893 nan 8.290 nan 0.000 0.533 486 G N -0.299 108.542 108.800 0.069 0.000 2.365 486 G HA2 0.538 4.501 3.960 0.005 0.000 0.249 486 G HA3 0.538 4.501 3.960 0.005 0.000 0.249 486 G C -0.009 174.917 174.900 0.044 0.000 1.288 486 G CA 0.939 46.074 45.100 0.059 0.000 0.887 486 G HN 0.732 nan 8.290 nan 0.000 0.524 487 T N 0.436 114.989 114.554 -0.002 0.000 2.881 487 T HA 0.697 5.050 4.350 0.005 0.000 0.290 487 T C -0.200 174.404 174.700 -0.159 0.000 1.000 487 T CA -0.141 61.924 62.100 -0.058 0.000 0.978 487 T CB 1.900 70.740 68.868 -0.047 0.000 0.997 487 T HN 1.050 nan 8.240 nan 0.000 0.443 488 A N 2.235 124.858 122.820 -0.328 0.000 2.475 488 A HA 0.901 5.224 4.320 0.005 0.000 0.301 488 A C -1.308 175.713 177.584 -0.939 0.000 1.059 488 A CA -0.741 50.913 52.037 -0.638 0.000 0.710 488 A CB 1.671 20.211 19.000 -0.766 0.000 1.288 488 A HN 0.678 nan 8.150 nan 0.000 0.408 489 V N 1.997 121.339 119.914 -0.953 0.000 2.623 489 V HA 0.590 4.713 4.120 0.005 0.000 0.304 489 V C -1.278 174.395 176.094 -0.702 0.000 1.054 489 V CA -0.491 61.385 62.300 -0.706 0.000 0.882 489 V CB 1.642 33.260 31.823 -0.341 0.000 1.002 489 V HN 0.843 nan 8.190 nan 0.000 0.424 490 W N 3.897 125.139 121.300 -0.096 0.000 2.819 490 W HA 0.751 5.417 4.660 0.009 0.000 0.337 490 W C -0.316 176.134 176.519 -0.115 0.000 1.077 490 W CA -0.608 56.683 57.345 -0.090 0.000 1.226 490 W CB 2.134 31.495 29.460 -0.164 0.000 1.419 490 W HN 0.728 nan 8.180 nan 0.000 0.502 491 Q N 1.164 121.056 119.800 0.152 0.000 2.565 491 Q HA 0.689 5.032 4.340 0.005 0.000 0.294 491 Q C -2.268 173.850 176.000 0.197 0.000 1.005 491 Q CA -1.098 54.763 55.803 0.097 0.000 0.771 491 Q CB 3.474 32.251 28.738 0.065 0.000 1.486 491 Q HN 0.362 nan 8.270 nan 0.000 0.422 492 Y N 0.751 121.076 120.300 0.043 0.000 2.401 492 Y HA 0.517 5.070 4.550 0.005 0.000 0.330 492 Y C -1.652 174.293 175.900 0.075 0.000 1.071 492 Y CA -0.126 58.035 58.100 0.102 0.000 1.049 492 Y CB 2.302 40.816 38.460 0.090 0.000 1.239 492 Y HN 0.910 nan 8.280 nan 0.000 0.437 493 T N 1.691 115.839 114.554 -0.677 0.000 2.887 493 T HA 0.796 5.149 4.350 0.005 0.000 0.288 493 T C -0.629 173.637 174.700 -0.725 0.000 1.021 493 T CA -0.813 61.001 62.100 -0.477 0.000 1.000 493 T CB 2.053 70.787 68.868 -0.222 0.000 1.034 493 T HN 0.707 nan 8.240 nan 0.000 0.467 494 T N 0.521 114.871 114.554 -0.339 0.000 2.853 494 T HA 0.410 4.763 4.350 0.005 0.000 0.311 494 T C -1.625 173.041 174.700 -0.056 0.000 1.307 494 T CA -0.648 61.348 62.100 -0.174 0.000 1.019 494 T CB 1.643 70.507 68.868 -0.007 0.000 1.264 494 T HN 0.691 nan 8.240 nan 0.000 0.497 495 D N 1.561 121.944 120.400 -0.027 0.000 2.357 495 D HA 0.556 5.199 4.640 0.005 0.000 0.242 495 D C -0.021 176.275 176.300 -0.007 0.000 1.153 495 D CA 0.038 54.028 54.000 -0.017 0.000 0.918 495 D CB 1.196 41.989 40.800 -0.011 0.000 1.181 495 D HN 0.717 nan 8.370 nan 0.000 0.435 496 A N 0.173 122.980 122.820 -0.022 0.000 2.317 496 A HA 0.468 4.791 4.320 0.005 0.000 0.327 496 A C 1.040 178.609 177.584 -0.024 0.000 1.178 496 A CA -0.448 51.567 52.037 -0.037 0.000 0.817 496 A CB 0.768 19.716 19.000 -0.087 0.000 1.189 496 A HN 0.559 nan 8.150 nan 0.000 0.489 497 T N -0.555 113.991 114.554 -0.013 0.000 2.901 497 T HA 0.074 4.427 4.350 0.005 0.000 0.252 497 T C 0.857 175.567 174.700 0.016 0.000 1.035 497 T CA 1.307 63.411 62.100 0.007 0.000 1.142 497 T CB -0.428 68.447 68.868 0.011 0.000 0.869 497 T HN 0.518 nan 8.240 nan 0.000 0.442 498 T N 4.077 118.629 114.554 -0.004 0.000 2.882 498 T HA 0.454 4.807 4.350 0.005 0.000 0.287 498 T C -2.744 171.956 174.700 0.001 0.000 0.992 498 T CA -1.244 60.861 62.100 0.008 0.000 1.076 498 T CB 1.262 70.121 68.868 -0.015 0.000 0.961 498 T HN 0.097 nan 8.240 nan 0.000 0.490 499 P HA 0.291 nan 4.420 nan 0.000 0.267 499 P C -0.852 176.485 177.300 0.062 0.000 1.209 499 P CA 0.088 63.287 63.100 0.165 0.000 0.763 499 P CB 0.150 32.040 31.700 0.316 0.000 0.816 500 I N 3.917 124.467 120.570 -0.033 0.000 2.534 500 I HA 0.350 4.523 4.170 0.005 0.000 0.288 500 I C -0.082 176.097 176.117 0.104 0.000 1.077 500 I CA -0.711 60.535 61.300 -0.090 0.000 1.051 500 I CB 1.905 39.583 38.000 -0.537 0.000 1.234 500 I HN 0.119 nan 8.210 nan 0.000 0.425 501 I N 4.952 125.646 120.570 0.207 0.000 2.352 501 I HA 0.261 4.434 4.170 0.005 0.000 0.290 501 I C 1.230 177.455 176.117 0.181 0.000 1.036 501 I CA 0.241 61.656 61.300 0.192 0.000 1.336 501 I CB 1.437 39.501 38.000 0.107 0.000 1.407 501 I HN 0.852 nan 8.210 nan 0.000 0.497 502 G N 5.073 113.785 108.800 -0.147 0.000 2.608 502 G HA2 0.024 3.987 3.960 0.005 0.000 0.210 502 G HA3 0.024 3.987 3.960 0.005 0.000 0.210 502 G C 0.429 175.135 174.900 -0.323 0.000 1.139 502 G CA 0.285 45.097 45.100 -0.480 0.000 0.812 502 G HN 0.532 nan 8.290 nan 0.000 0.529 503 N N -1.326 117.092 118.700 -0.471 0.000 2.859 503 N HA 0.460 5.203 4.740 0.005 0.000 0.250 503 N C -1.940 173.241 175.510 -0.547 0.000 1.341 503 N CA -0.281 52.565 53.050 -0.340 0.000 0.881 503 N CB 2.127 40.595 38.487 -0.032 0.000 1.516 503 N HN -0.133 nan 8.380 nan 0.000 0.503 504 V N 0.078 119.686 119.914 -0.510 0.000 2.841 504 V HA 0.944 5.067 4.120 0.005 0.000 0.310 504 V C 0.051 176.139 176.094 -0.009 0.000 1.090 504 V CA -0.582 61.535 62.300 -0.306 0.000 0.930 504 V CB 1.842 33.439 31.823 -0.375 0.000 1.014 504 V HN 0.818 nan 8.190 nan 0.000 0.425 505 G N 3.890 112.720 108.800 0.050 0.000 2.766 505 G HA2 0.703 4.666 3.960 0.005 0.000 0.297 505 G HA3 0.703 4.666 3.960 0.005 0.000 0.297 505 G C -3.328 171.653 174.900 0.135 0.000 1.431 505 G CA -1.113 44.065 45.100 0.131 0.000 1.042 505 G HN 0.495 nan 8.290 nan 0.000 0.542 506 P HA 0.201 nan 4.420 nan 0.000 0.274 506 P C 0.263 177.697 177.300 0.225 0.000 1.256 506 P CA -0.350 62.840 63.100 0.149 0.000 0.795 506 P CB 1.299 33.048 31.700 0.082 0.000 1.038 507 M N 0.124 119.770 119.600 0.077 0.000 2.419 507 M HA 0.280 4.763 4.480 0.005 0.000 0.252 507 M C 0.501 176.460 176.300 -0.568 0.000 1.143 507 M CA 0.321 55.587 55.300 -0.057 0.000 0.985 507 M CB -0.545 32.089 32.600 0.057 0.000 1.489 507 M HN 0.457 nan 8.290 nan 0.000 0.484 508 M N 0.902 120.242 119.600 -0.433 0.000 2.265 508 M HA 0.593 5.076 4.480 0.005 0.000 0.262 508 M C -2.181 173.984 176.300 -0.225 0.000 1.026 508 M CA -0.148 54.900 55.300 -0.421 0.000 0.987 508 M CB 2.022 34.471 32.600 -0.251 0.000 1.937 508 M HN 0.052 nan 8.290 nan 0.000 0.481 509 A N 3.772 126.496 122.820 -0.160 0.000 2.544 509 A HA 0.629 4.952 4.320 0.005 0.000 0.291 509 A C -1.868 175.726 177.584 0.017 0.000 1.055 509 A CA -0.963 51.060 52.037 -0.023 0.000 0.651 509 A CB 1.577 20.613 19.000 0.061 0.000 1.296 509 A HN 0.874 nan 8.150 nan 0.000 0.431 510 K N 0.092 120.498 120.400 0.009 0.000 2.090 510 K HA 0.658 4.981 4.320 0.005 0.000 0.250 510 K C -2.721 173.872 176.600 -0.011 0.000 1.004 510 K CA -1.633 54.656 56.287 0.003 0.000 0.919 510 K CB 0.232 32.729 32.500 -0.005 0.000 1.045 510 K HN 0.249 nan 8.250 nan 0.000 0.471 511 P HA -0.090 nan 4.420 nan 0.000 0.261 511 P C 0.471 177.725 177.300 -0.075 0.000 1.173 511 P CA 1.673 64.718 63.100 -0.092 0.000 0.760 511 P CB 0.433 32.079 31.700 -0.091 0.000 0.783 512 G N 1.232 109.972 108.800 -0.100 0.000 2.254 512 G HA2 -0.221 3.742 3.960 0.005 0.000 0.225 512 G HA3 -0.221 3.742 3.960 0.005 0.000 0.225 512 G C 0.201 175.069 174.900 -0.053 0.000 1.003 512 G CA 0.041 45.097 45.100 -0.073 0.000 0.622 512 G HN 0.742 nan 8.290 nan 0.000 0.507 513 V N 0.783 120.677 119.914 -0.034 0.000 2.834 513 V HA 0.773 4.896 4.120 0.005 0.000 0.301 513 V C 0.515 176.603 176.094 -0.011 0.000 1.066 513 V CA 0.508 62.799 62.300 -0.015 0.000 1.052 513 V CB 1.378 33.206 31.823 0.010 0.000 1.021 513 V HN 0.430 nan 8.190 nan 0.000 0.480 514 T N 7.349 121.896 114.554 -0.012 0.000 2.794 514 T HA 0.534 4.887 4.350 0.005 0.000 0.296 514 T C 0.084 174.794 174.700 0.018 0.000 0.949 514 T CA 0.226 62.320 62.100 -0.010 0.000 1.101 514 T CB 0.195 69.048 68.868 -0.025 0.000 0.905 514 T HN 0.873 nan 8.240 nan 0.000 0.516 515 I N 0.036 120.622 120.570 0.026 0.000 2.750 515 I HA 0.715 4.888 4.170 0.005 0.000 0.308 515 I C -0.256 175.846 176.117 -0.025 0.000 1.016 515 I CA -0.818 60.506 61.300 0.040 0.000 1.098 515 I CB 1.980 40.029 38.000 0.082 0.000 1.279 515 I HN 0.296 nan 8.210 nan 0.000 0.454 516 T N 5.476 120.010 114.554 -0.032 0.000 2.779 516 T HA 0.603 4.956 4.350 0.005 0.000 0.280 516 T C -0.212 174.408 174.700 -0.134 0.000 0.987 516 T CA -0.195 61.858 62.100 -0.078 0.000 0.966 516 T CB 0.850 69.690 68.868 -0.046 0.000 0.933 516 T HN 0.373 nan 8.240 nan 0.000 0.442 517 I N 3.405 123.855 120.570 -0.202 0.000 2.362 517 I HA 0.382 4.555 4.170 0.005 0.000 0.289 517 I C -0.537 175.492 176.117 -0.145 0.000 0.994 517 I CA -0.821 60.317 61.300 -0.269 0.000 1.158 517 I CB 1.519 39.262 38.000 -0.429 0.000 1.315 517 I HN 0.445 nan 8.210 nan 0.000 0.451 518 D N 4.545 124.865 120.400 -0.134 0.000 2.248 518 D HA 0.790 5.433 4.640 0.005 0.000 0.246 518 D C 0.206 176.355 176.300 -0.252 0.000 1.027 518 D CA -0.026 53.908 54.000 -0.111 0.000 0.853 518 D CB 2.498 43.199 40.800 -0.166 0.000 1.243 518 D HN 0.790 nan 8.370 nan 0.000 0.462 519 G N 0.732 109.328 108.800 -0.340 0.000 2.498 519 G HA2 0.313 4.276 3.960 0.005 0.000 0.181 519 G HA3 0.313 4.276 3.960 0.005 0.000 0.181 519 G C -1.318 173.285 174.900 -0.494 0.000 1.169 519 G CA -0.612 44.211 45.100 -0.462 0.000 0.992 519 G HN 0.290 nan 8.290 nan 0.000 0.490 520 R N -0.945 119.236 120.500 -0.533 0.000 2.774 520 R HA 0.636 4.979 4.340 0.005 0.000 0.272 520 R C 0.526 176.482 176.300 -0.574 0.000 1.000 520 R CA -0.028 55.805 56.100 -0.446 0.000 0.906 520 R CB 1.234 31.508 30.300 -0.043 0.000 1.227 520 R HN 2.224 nan 8.270 nan 0.000 0.468 521 G N 0.582 109.177 108.800 -0.341 0.000 2.143 521 G HA2 -0.283 3.680 3.960 0.005 0.000 0.249 521 G HA3 -0.283 3.680 3.960 0.005 0.000 0.249 521 G C 0.607 175.534 174.900 0.046 0.000 0.981 521 G CA 0.411 45.432 45.100 -0.130 0.000 0.665 521 G HN 0.569 nan 8.290 nan 0.000 0.528 522 F N 1.062 121.028 119.950 0.027 0.000 2.407 522 F HA 0.300 4.830 4.527 0.005 0.000 0.299 522 F C 2.070 178.103 175.800 0.388 0.000 1.097 522 F CA 0.721 58.776 58.000 0.090 0.000 1.422 522 F CB 0.084 38.904 39.000 -0.301 0.000 1.067 522 F HN 0.824 nan 8.300 nan 0.000 0.539 523 G N 0.328 109.371 108.800 0.405 0.000 2.829 523 G HA2 -0.242 3.721 3.960 0.005 0.000 0.628 523 G HA3 -0.242 3.721 3.960 0.005 0.000 0.628 523 G C 0.417 175.562 174.900 0.408 0.000 1.412 523 G CA -0.281 45.016 45.100 0.327 0.000 0.864 523 G HN 0.113 nan 8.290 nan 0.000 0.544 524 S N -0.008 115.828 115.700 0.228 0.000 2.470 524 S HA 0.334 4.807 4.470 0.005 0.000 0.225 524 S C 1.377 176.038 174.600 0.103 0.000 1.006 524 S CA 1.127 59.445 58.200 0.196 0.000 0.934 524 S CB 0.257 63.516 63.200 0.098 0.000 0.778 524 S HN 1.524 nan 8.310 nan 0.000 0.517 525 G N 1.463 110.230 108.800 -0.054 0.000 2.371 525 G HA2 0.446 4.409 3.960 0.005 0.000 0.326 525 G HA3 0.446 4.409 3.960 0.005 0.000 0.326 525 G C -0.697 173.748 174.900 -0.758 0.000 1.127 525 G CA -0.724 44.221 45.100 -0.259 0.000 0.885 525 G HN 0.152 nan 8.290 nan 0.000 0.477 526 K N 0.874 120.773 120.400 -0.835 0.000 2.524 526 K HA 0.217 4.540 4.320 0.005 0.000 0.279 526 K C 0.918 176.775 176.600 -1.237 0.000 0.993 526 K CA 0.594 56.089 56.287 -1.321 0.000 1.030 526 K CB 0.968 33.130 32.500 -0.563 0.000 0.891 526 K HN 0.551 nan 8.250 nan 0.000 0.488 527 G N 1.004 108.686 108.800 -1.862 0.000 3.414 527 G HA2 0.293 4.256 3.960 0.005 0.000 0.189 527 G HA3 0.293 4.256 3.960 0.005 0.000 0.189 527 G C -0.683 173.958 174.900 -0.431 0.000 1.329 527 G CA -0.052 44.562 45.100 -0.811 0.000 0.851 527 G HN 0.537 nan 8.290 nan 0.000 0.671 528 T N -1.897 112.611 114.554 -0.077 0.000 2.916 528 T HA 0.527 4.880 4.350 0.005 0.000 0.305 528 T C -1.693 172.992 174.700 -0.025 0.000 1.119 528 T CA -0.375 61.675 62.100 -0.084 0.000 1.008 528 T CB 1.587 70.332 68.868 -0.204 0.000 1.129 528 T HN 1.179 nan 8.240 nan 0.000 0.480 529 V N 5.341 125.161 119.914 -0.157 0.000 2.656 529 V HA 0.769 4.892 4.120 0.005 0.000 0.307 529 V C -1.991 173.912 176.094 -0.317 0.000 1.051 529 V CA -0.695 61.501 62.300 -0.174 0.000 0.893 529 V CB 1.490 33.227 31.823 -0.142 0.000 0.999 529 V HN 0.952 nan 8.190 nan 0.000 0.426 530 Y N 5.457 125.704 120.300 -0.089 0.000 2.360 530 Y HA 0.652 5.205 4.550 0.005 0.000 0.337 530 Y C -0.453 175.348 175.900 -0.164 0.000 1.039 530 Y CA -0.554 57.531 58.100 -0.025 0.000 1.109 530 Y CB 1.893 40.348 38.460 -0.009 0.000 1.201 530 Y HN 0.625 nan 8.280 nan 0.000 0.458 531 F N 2.452 122.445 119.950 0.073 0.000 2.325 531 F HA 0.527 5.057 4.527 0.005 0.000 0.369 531 F C 0.918 176.849 175.800 0.218 0.000 1.095 531 F CA -0.329 57.684 58.000 0.023 0.000 1.082 531 F CB 0.906 39.763 39.000 -0.239 0.000 1.289 531 F HN 0.796 nan 8.300 nan 0.000 0.462 532 G N 2.484 111.532 108.800 0.414 0.000 2.561 532 G HA2 -0.378 3.585 3.960 0.005 0.000 0.289 532 G HA3 -0.378 3.585 3.960 0.005 0.000 0.289 532 G C 1.027 176.096 174.900 0.281 0.000 1.169 532 G CA 0.489 45.812 45.100 0.372 0.000 0.980 532 G HN 0.804 nan 8.290 nan 0.000 0.550 533 T N -1.914 112.797 114.554 0.262 0.000 3.086 533 T HA 0.444 4.797 4.350 0.005 0.000 0.250 533 T C 0.867 175.763 174.700 0.327 0.000 1.074 533 T CA 1.306 63.549 62.100 0.239 0.000 0.988 533 T CB 0.182 69.137 68.868 0.144 0.000 0.988 533 T HN 0.739 nan 8.240 nan 0.000 0.530 534 T N 3.395 118.131 114.554 0.304 0.000 2.723 534 T HA 0.626 4.979 4.350 0.005 0.000 0.297 534 T C 0.307 175.091 174.700 0.140 0.000 0.925 534 T CA -0.501 61.717 62.100 0.197 0.000 1.030 534 T CB 0.672 69.616 68.868 0.127 0.000 0.905 534 T HN 0.519 nan 8.240 nan 0.000 0.502 535 A N 3.795 126.616 122.820 0.002 0.000 2.363 535 A HA 0.621 4.944 4.320 0.005 0.000 0.270 535 A C -0.100 177.379 177.584 -0.175 0.000 1.121 535 A CA -0.548 51.291 52.037 -0.330 0.000 0.800 535 A CB 0.447 19.261 19.000 -0.310 0.000 1.052 535 A HN 0.673 nan 8.150 nan 0.000 0.493 536 V N 2.975 122.775 119.914 -0.191 0.000 2.487 536 V HA 0.688 4.811 4.120 0.005 0.000 0.298 536 V C 0.329 176.360 176.094 -0.105 0.000 1.028 536 V CA 0.098 62.344 62.300 -0.091 0.000 0.860 536 V CB 1.356 33.183 31.823 0.007 0.000 0.991 536 V HN 1.212 nan 8.190 nan 0.000 0.427 537 T N 0.796 115.298 114.554 -0.088 0.000 2.778 537 T HA 0.861 5.214 4.350 0.005 0.000 0.293 537 T C 0.584 175.243 174.700 -0.068 0.000 1.144 537 T CA 0.049 62.096 62.100 -0.089 0.000 1.010 537 T CB 1.442 70.244 68.868 -0.109 0.000 1.325 537 T HN 1.630 nan 8.240 nan 0.000 0.515 538 G N 1.066 109.819 108.800 -0.079 0.000 2.634 538 G HA2 -0.084 3.879 3.960 0.005 0.000 0.309 538 G HA3 -0.084 3.879 3.960 0.005 0.000 0.309 538 G C 1.346 176.219 174.900 -0.044 0.000 1.265 538 G CA 1.313 46.374 45.100 -0.066 0.000 0.998 538 G HN 1.916 nan 8.290 nan 0.000 0.551 539 A N -0.828 121.968 122.820 -0.039 0.000 2.076 539 A HA 0.031 4.354 4.320 0.005 0.000 0.220 539 A C 1.886 179.453 177.584 -0.027 0.000 1.160 539 A CA 2.451 54.470 52.037 -0.031 0.000 0.653 539 A CB -0.387 18.594 19.000 -0.031 0.000 0.801 539 A HN 0.619 nan 8.150 nan 0.000 0.455 540 D N -0.635 119.746 120.400 -0.032 0.000 2.355 540 D HA 0.102 4.745 4.640 0.005 0.000 0.218 540 D C 0.246 176.538 176.300 -0.013 0.000 1.004 540 D CA 0.400 54.379 54.000 -0.034 0.000 0.880 540 D CB 0.095 40.864 40.800 -0.052 0.000 0.911 540 D HN 0.439 nan 8.370 nan 0.000 0.528 541 I N 1.400 121.976 120.570 0.010 0.000 2.297 541 I HA -0.001 4.172 4.170 0.005 0.000 0.291 541 I C 1.456 177.597 176.117 0.040 0.000 1.033 541 I CA -0.402 60.930 61.300 0.053 0.000 1.253 541 I CB 2.110 40.188 38.000 0.129 0.000 1.396 541 I HN -0.294 nan 8.210 nan 0.000 0.476 542 V N 6.243 126.170 119.914 0.022 0.000 2.548 542 V HA 0.000 4.123 4.120 0.005 0.000 0.249 542 V C 0.899 177.009 176.094 0.027 0.000 1.055 542 V CA 1.385 63.691 62.300 0.010 0.000 1.065 542 V CB -0.186 31.631 31.823 -0.010 0.000 0.681 542 V HN 0.851 nan 8.190 nan 0.000 0.462 543 A N -1.621 121.229 122.820 0.051 0.000 2.566 543 A HA 0.619 4.942 4.320 0.005 0.000 0.297 543 A C -2.081 175.586 177.584 0.139 0.000 1.059 543 A CA -0.398 51.682 52.037 0.072 0.000 0.691 543 A CB 1.521 20.534 19.000 0.022 0.000 1.282 543 A HN 0.205 nan 8.150 nan 0.000 0.401 544 W N 2.895 124.179 121.300 -0.026 0.000 3.405 544 W HA 0.562 5.226 4.660 0.006 0.000 0.329 544 W C -1.135 175.398 176.519 0.022 0.000 1.142 544 W CA -0.216 57.120 57.345 -0.015 0.000 1.235 544 W CB 1.719 31.159 29.460 -0.034 0.000 1.341 544 W HN 1.101 nan 8.180 nan 0.000 0.481 545 E N 1.394 121.667 120.200 0.121 0.000 2.456 545 E HA 0.219 4.572 4.350 0.005 0.000 0.278 545 E C -0.602 176.078 176.600 0.133 0.000 1.034 545 E CA -0.563 55.961 56.400 0.207 0.000 0.846 545 E CB 1.530 31.295 29.700 0.108 0.000 1.460 545 E HN 0.150 nan 8.360 nan 0.000 0.463 546 D N -0.401 120.075 120.400 0.127 0.000 2.219 546 D HA -0.108 4.535 4.640 0.005 0.000 0.205 546 D C 1.466 177.688 176.300 -0.129 0.000 0.970 546 D CA 2.208 56.246 54.000 0.062 0.000 0.851 546 D CB 0.236 41.054 40.800 0.029 0.000 0.943 546 D HN 0.528 nan 8.370 nan 0.000 0.488 547 T N -3.583 110.921 114.554 -0.082 0.000 3.044 547 T HA 0.166 4.519 4.350 0.005 0.000 0.260 547 T C 0.428 175.120 174.700 -0.014 0.000 1.019 547 T CA -0.566 61.427 62.100 -0.179 0.000 0.921 547 T CB 0.404 69.215 68.868 -0.096 0.000 1.053 547 T HN 0.089 nan 8.240 nan 0.000 0.533 548 Q N 0.269 120.136 119.800 0.112 0.000 2.327 548 Q HA 0.612 4.955 4.340 0.005 0.000 0.265 548 Q C -2.168 173.755 176.000 -0.129 0.000 0.993 548 Q CA -0.766 55.064 55.803 0.045 0.000 0.885 548 Q CB 1.894 30.618 28.738 -0.023 0.000 1.379 548 Q HN 0.449 nan 8.270 nan 0.000 0.408 549 I N 2.697 123.084 120.570 -0.306 0.000 2.509 549 I HA 0.373 4.546 4.170 0.005 0.000 0.293 549 I C -0.645 175.327 176.117 -0.242 0.000 1.020 549 I CA -0.656 60.380 61.300 -0.439 0.000 1.088 549 I CB 2.193 39.667 38.000 -0.876 0.000 1.267 549 I HN 0.508 nan 8.210 nan 0.000 0.430 550 Q N 4.947 124.668 119.800 -0.132 0.000 2.331 550 Q HA 0.695 5.038 4.340 0.005 0.000 0.267 550 Q C -1.333 174.637 176.000 -0.050 0.000 1.006 550 Q CA -0.627 55.127 55.803 -0.083 0.000 0.818 550 Q CB 3.405 32.113 28.738 -0.051 0.000 1.276 550 Q HN 0.481 nan 8.270 nan 0.000 0.450 551 V N 2.412 122.302 119.914 -0.040 0.000 2.971 551 V HA 0.398 4.521 4.120 0.005 0.000 0.309 551 V C -1.440 174.648 176.094 -0.009 0.000 1.130 551 V CA -0.778 61.519 62.300 -0.006 0.000 0.964 551 V CB 2.344 34.179 31.823 0.020 0.000 1.029 551 V HN 0.661 nan 8.190 nan 0.000 0.427 552 K N 5.600 125.976 120.400 -0.040 0.000 2.249 552 K HA 0.503 4.826 4.320 0.005 0.000 0.280 552 K C -0.364 176.118 176.600 -0.195 0.000 1.033 552 K CA -0.268 55.967 56.287 -0.086 0.000 0.946 552 K CB 1.171 33.620 32.500 -0.086 0.000 1.005 552 K HN 0.593 nan 8.250 nan 0.000 0.469 553 I N 6.060 126.469 120.570 -0.269 0.000 2.668 553 I HA -0.005 4.168 4.170 0.005 0.000 0.285 553 I C -1.509 174.285 176.117 -0.539 0.000 1.168 553 I CA -1.514 59.416 61.300 -0.616 0.000 1.424 553 I CB 0.132 37.925 38.000 -0.345 0.000 1.377 553 I HN 0.403 nan 8.210 nan 0.000 0.560 554 P HA 0.062 nan 4.420 nan 0.000 0.274 554 P C -0.659 176.456 177.300 -0.309 0.000 1.246 554 P CA -0.551 62.306 63.100 -0.404 0.000 0.795 554 P CB 0.798 32.273 31.700 -0.375 0.000 1.006 555 A N 1.986 124.696 122.820 -0.183 0.000 3.026 555 A HA 0.368 4.691 4.320 0.005 0.000 0.272 555 A C 0.693 178.223 177.584 -0.089 0.000 1.782 555 A CA -0.355 51.612 52.037 -0.115 0.000 1.451 555 A CB -1.565 17.392 19.000 -0.073 0.000 1.081 555 A HN 0.391 nan 8.150 nan 0.000 0.611 556 V N -1.160 118.682 119.914 -0.121 0.000 2.834 556 V HA 0.651 4.774 4.120 0.005 0.000 0.313 556 V C -2.511 173.615 176.094 0.053 0.000 1.060 556 V CA -2.715 59.561 62.300 -0.040 0.000 0.989 556 V CB 0.541 32.270 31.823 -0.156 0.000 1.041 556 V HN 0.435 nan 8.190 nan 0.000 0.459 557 P HA 0.193 nan 4.420 nan 0.000 0.266 557 P C 0.398 177.841 177.300 0.239 0.000 1.186 557 P CA 0.640 63.843 63.100 0.170 0.000 0.767 557 P CB 0.085 31.888 31.700 0.171 0.000 0.820 558 G N 0.900 109.797 108.800 0.162 0.000 2.432 558 G HA2 0.463 4.426 3.960 0.005 0.000 0.239 558 G HA3 0.463 4.426 3.960 0.005 0.000 0.239 558 G C 0.198 175.218 174.900 0.200 0.000 1.291 558 G CA 0.472 45.675 45.100 0.171 0.000 0.863 558 G HN 0.797 nan 8.290 nan 0.000 0.560 559 G N 0.491 109.437 108.800 0.244 0.000 2.343 559 G HA2 0.483 4.446 3.960 0.005 0.000 0.289 559 G HA3 0.483 4.446 3.960 0.005 0.000 0.289 559 G C -1.021 173.959 174.900 0.133 0.000 1.295 559 G CA -0.330 44.828 45.100 0.098 0.000 0.869 559 G HN 1.499 nan 8.290 nan 0.000 0.522 560 I N -2.034 118.510 120.570 -0.042 0.000 2.441 560 I HA 0.880 5.053 4.170 0.005 0.000 0.295 560 I C -1.346 174.725 176.117 -0.077 0.000 0.994 560 I CA -1.191 60.161 61.300 0.086 0.000 1.144 560 I CB 1.729 39.771 38.000 0.070 0.000 1.314 560 I HN 0.491 nan 8.210 nan 0.000 0.445 561 Y N 2.966 123.411 120.300 0.242 0.000 2.524 561 Y HA 0.504 5.057 4.550 0.005 0.000 0.344 561 Y C -0.395 175.624 175.900 0.199 0.000 1.012 561 Y CA -0.763 57.480 58.100 0.239 0.000 1.068 561 Y CB 1.514 40.182 38.460 0.345 0.000 1.249 561 Y HN 0.535 nan 8.280 nan 0.000 0.468 562 D N 2.516 123.082 120.400 0.275 0.000 2.210 562 D HA 0.392 5.035 4.640 0.005 0.000 0.249 562 D C -0.448 175.905 176.300 0.088 0.000 1.062 562 D CA 0.071 54.168 54.000 0.162 0.000 0.891 562 D CB 1.720 42.579 40.800 0.099 0.000 1.186 562 D HN 0.374 nan 8.370 nan 0.000 0.432 563 I N 1.616 122.192 120.570 0.010 0.000 2.460 563 I HA 0.413 4.586 4.170 0.005 0.000 0.298 563 I C 0.329 176.403 176.117 -0.071 0.000 0.989 563 I CA -0.625 60.558 61.300 -0.195 0.000 1.173 563 I CB 1.780 39.566 38.000 -0.357 0.000 1.338 563 I HN 0.045 nan 8.210 nan 0.000 0.456 564 R N 3.817 124.274 120.500 -0.071 0.000 2.707 564 R HA 0.757 5.100 4.340 0.005 0.000 0.272 564 R C -1.977 174.351 176.300 0.046 0.000 1.011 564 R CA -0.576 55.535 56.100 0.018 0.000 0.893 564 R CB 2.560 32.887 30.300 0.045 0.000 1.233 564 R HN 0.389 nan 8.270 nan 0.000 0.464 565 V N 1.587 121.525 119.914 0.040 0.000 2.769 565 V HA 0.821 4.944 4.120 0.005 0.000 0.312 565 V C -0.821 175.381 176.094 0.180 0.000 1.061 565 V CA -0.621 61.696 62.300 0.028 0.000 0.931 565 V CB 1.840 33.519 31.823 -0.240 0.000 1.010 565 V HN 0.900 nan 8.190 nan 0.000 0.433 566 A N 3.425 126.405 122.820 0.267 0.000 2.343 566 A HA 0.742 5.065 4.320 0.005 0.000 0.308 566 A C -0.240 177.515 177.584 0.285 0.000 1.092 566 A CA -0.764 51.426 52.037 0.256 0.000 0.751 566 A CB 0.933 20.103 19.000 0.284 0.000 1.203 566 A HN 0.941 nan 8.150 nan 0.000 0.452 567 N N 1.820 120.682 118.700 0.271 0.000 2.294 567 N HA 0.331 5.074 4.740 0.005 0.000 0.248 567 N C 1.107 176.646 175.510 0.049 0.000 1.300 567 N CA 0.184 53.399 53.050 0.276 0.000 0.925 567 N CB 0.412 39.069 38.487 0.284 0.000 1.188 567 N HN 0.602 nan 8.380 nan 0.000 0.512 568 A N -0.891 121.888 122.820 -0.068 0.000 2.070 568 A HA 0.068 4.391 4.320 0.005 0.000 0.220 568 A C 1.910 179.466 177.584 -0.046 0.000 1.159 568 A CA 1.709 53.671 52.037 -0.126 0.000 0.656 568 A CB -1.213 17.685 19.000 -0.169 0.000 0.800 568 A HN 0.880 nan 8.150 nan 0.000 0.453 569 A N -2.115 120.705 122.820 0.001 0.000 2.251 569 A HA 0.437 4.760 4.320 0.005 0.000 0.209 569 A C 1.715 179.315 177.584 0.025 0.000 1.187 569 A CA 1.111 53.155 52.037 0.012 0.000 0.823 569 A CB -0.670 18.344 19.000 0.022 0.000 0.846 569 A HN 1.780 nan 8.150 nan 0.000 0.486 570 G N -1.939 106.885 108.800 0.041 0.000 2.175 570 G HA2 0.091 4.054 3.960 0.005 0.000 0.244 570 G HA3 0.091 4.054 3.960 0.005 0.000 0.244 570 G C 0.405 175.345 174.900 0.066 0.000 0.982 570 G CA 0.136 45.270 45.100 0.056 0.000 0.641 570 G HN 1.577 nan 8.290 nan 0.000 0.527 571 A N 0.221 123.084 122.820 0.072 0.000 2.409 571 A HA 0.842 5.165 4.320 0.005 0.000 0.267 571 A C 0.746 178.388 177.584 0.096 0.000 1.127 571 A CA 1.040 53.119 52.037 0.070 0.000 0.795 571 A CB 0.580 19.620 19.000 0.067 0.000 1.061 571 A HN 2.030 nan 8.150 nan 0.000 0.502 572 A N 2.678 125.542 122.820 0.072 0.000 2.303 572 A HA 0.705 5.028 4.320 0.005 0.000 0.317 572 A C 0.783 178.407 177.584 0.067 0.000 1.149 572 A CA 0.101 52.183 52.037 0.076 0.000 0.822 572 A CB 0.425 19.439 19.000 0.024 0.000 1.131 572 A HN 1.668 nan 8.150 nan 0.000 0.493 573 S N 1.769 117.517 115.700 0.081 0.000 2.671 573 S HA 0.349 4.822 4.470 0.005 0.000 0.272 573 S C 0.302 174.931 174.600 0.048 0.000 1.174 573 S CA -0.599 57.647 58.200 0.075 0.000 1.004 573 S CB 0.161 63.430 63.200 0.114 0.000 1.077 573 S HN 0.921 nan 8.310 nan 0.000 0.553 574 N N -0.006 118.725 118.700 0.051 0.000 2.415 574 N HA 0.093 4.836 4.740 0.005 0.000 0.248 574 N C -0.455 175.098 175.510 0.072 0.000 1.271 574 N CA -0.271 52.810 53.050 0.052 0.000 0.913 574 N CB -0.124 38.401 38.487 0.064 0.000 1.129 574 N HN 0.696 nan 8.380 nan 0.000 0.444 575 I N 0.673 121.278 120.570 0.059 0.000 2.441 575 I HA 0.019 4.192 4.170 0.005 0.000 0.287 575 I C -0.487 175.697 176.117 0.112 0.000 1.049 575 I CA -0.468 60.872 61.300 0.067 0.000 1.381 575 I CB 0.298 38.318 38.000 0.033 0.000 1.409 575 I HN 0.485 nan 8.210 nan 0.000 0.523 576 Y N 7.069 127.373 120.300 0.006 0.000 2.478 576 Y HA 0.171 4.723 4.550 0.005 0.000 0.329 576 Y C 0.209 176.139 175.900 0.051 0.000 0.967 576 Y CA -1.001 57.116 58.100 0.028 0.000 1.255 576 Y CB 0.279 38.742 38.460 0.006 0.000 1.103 576 Y HN 0.600 nan 8.280 nan 0.000 0.497 577 D N 2.899 123.290 120.400 -0.015 0.000 2.433 577 D HA 0.036 4.679 4.640 0.005 0.000 0.255 577 D C 0.076 176.437 176.300 0.102 0.000 1.226 577 D CA -0.231 53.801 54.000 0.054 0.000 1.015 577 D CB 0.612 41.413 40.800 0.002 0.000 1.091 577 D HN 0.753 nan 8.370 nan 0.000 0.527 578 N N -1.571 117.207 118.700 0.131 0.000 2.780 578 N HA -0.226 4.517 4.740 0.005 0.000 0.248 578 N C -1.190 174.445 175.510 0.208 0.000 1.102 578 N CA -0.205 52.923 53.050 0.130 0.000 0.697 578 N CB -1.286 37.240 38.487 0.066 0.000 1.028 578 N HN 0.396 nan 8.380 nan 0.000 0.554 579 F N 2.112 122.169 119.950 0.177 0.000 2.410 579 F HA 0.319 4.849 4.527 0.005 0.000 0.348 579 F C 0.485 176.429 175.800 0.241 0.000 1.106 579 F CA -0.228 57.900 58.000 0.213 0.000 1.163 579 F CB 0.892 40.038 39.000 0.242 0.000 1.129 579 F HN 0.079 nan 8.300 nan 0.000 0.516 580 E N 5.633 125.547 120.200 -0.476 0.000 2.133 580 E HA 0.403 4.756 4.350 0.005 0.000 0.274 580 E C -1.552 174.927 176.600 -0.200 0.000 0.930 580 E CA -0.745 55.552 56.400 -0.172 0.000 0.770 580 E CB 1.328 30.944 29.700 -0.141 0.000 1.104 580 E HN 0.508 nan 8.360 nan 0.000 0.403 581 V N 6.398 126.422 119.914 0.182 0.000 2.432 581 V HA 0.212 4.335 4.120 0.005 0.000 0.275 581 V C 0.372 176.526 176.094 0.100 0.000 1.043 581 V CA -0.451 61.955 62.300 0.176 0.000 0.925 581 V CB 0.889 32.845 31.823 0.222 0.000 0.985 581 V HN 0.684 nan 8.190 nan 0.000 0.466 582 L N 3.934 125.179 121.223 0.036 0.000 2.399 582 L HA 0.288 4.631 4.340 0.005 0.000 0.266 582 L C 1.679 178.571 176.870 0.037 0.000 1.114 582 L CA -0.245 54.610 54.840 0.024 0.000 0.804 582 L CB 0.996 43.051 42.059 -0.006 0.000 1.146 582 L HN 0.659 nan 8.230 nan 0.000 0.451 583 T N 0.360 114.937 114.554 0.037 0.000 2.929 583 T HA 0.090 4.443 4.350 0.005 0.000 0.271 583 T C 0.659 175.372 174.700 0.022 0.000 1.085 583 T CA 0.998 63.119 62.100 0.036 0.000 1.125 583 T CB -0.013 68.877 68.868 0.036 0.000 0.874 583 T HN 0.907 nan 8.240 nan 0.000 0.494 584 G N 0.010 108.819 108.800 0.015 0.000 2.356 584 G HA2 0.297 4.260 3.960 0.005 0.000 0.281 584 G HA3 0.297 4.260 3.960 0.005 0.000 0.281 584 G C -2.138 172.764 174.900 0.003 0.000 1.246 584 G CA -0.867 44.237 45.100 0.008 0.000 0.889 584 G HN 0.026 nan 8.290 nan 0.000 0.486 585 D N 0.918 121.319 120.400 0.002 0.000 2.382 585 D HA 0.345 4.988 4.640 0.005 0.000 0.240 585 D C -0.077 176.225 176.300 0.003 0.000 1.146 585 D CA 0.491 54.489 54.000 -0.003 0.000 0.897 585 D CB 0.954 41.753 40.800 -0.001 0.000 1.197 585 D HN 0.179 nan 8.370 nan 0.000 0.432 586 Q N 0.453 120.249 119.800 -0.006 0.000 2.306 586 Q HA 0.525 4.868 4.340 0.005 0.000 0.265 586 Q C -0.309 175.705 176.000 0.024 0.000 1.022 586 Q CA -0.949 54.858 55.803 0.007 0.000 0.853 586 Q CB 2.258 30.984 28.738 -0.021 0.000 1.327 586 Q HN 0.316 nan 8.270 nan 0.000 0.449 587 V N -1.621 118.330 119.914 0.062 0.000 2.914 587 V HA 0.711 4.834 4.120 0.005 0.000 0.314 587 V C -0.196 175.977 176.094 0.133 0.000 1.084 587 V CA -0.855 61.502 62.300 0.095 0.000 0.963 587 V CB 1.940 33.827 31.823 0.107 0.000 1.025 587 V HN 0.660 nan 8.190 nan 0.000 0.432 588 T N 2.769 117.431 114.554 0.180 0.000 2.767 588 T HA 0.634 4.987 4.350 0.005 0.000 0.288 588 T C -0.248 174.577 174.700 0.208 0.000 0.963 588 T CA -0.243 61.993 62.100 0.227 0.000 1.019 588 T CB 1.294 70.365 68.868 0.338 0.000 0.923 588 T HN 0.674 nan 8.240 nan 0.000 0.468 589 V N 3.703 123.725 119.914 0.181 0.000 2.513 589 V HA 0.505 4.628 4.120 0.005 0.000 0.299 589 V C 0.218 176.313 176.094 0.002 0.000 1.035 589 V CA -1.098 61.210 62.300 0.014 0.000 0.889 589 V CB 1.805 33.526 31.823 -0.170 0.000 0.988 589 V HN 0.742 nan 8.190 nan 0.000 0.440 590 R N 3.594 124.069 120.500 -0.041 0.000 2.234 590 R HA 0.446 4.789 4.340 0.005 0.000 0.324 590 R C -1.383 174.863 176.300 -0.090 0.000 1.054 590 R CA -0.023 56.132 56.100 0.092 0.000 0.912 590 R CB 0.317 30.716 30.300 0.166 0.000 1.030 590 R HN 0.486 nan 8.270 nan 0.000 0.455 591 F N 4.175 124.217 119.950 0.153 0.000 2.420 591 F HA 0.419 4.949 4.527 0.005 0.000 0.342 591 F C -0.295 175.624 175.800 0.197 0.000 1.113 591 F CA -0.646 57.447 58.000 0.156 0.000 1.059 591 F CB 1.856 40.987 39.000 0.219 0.000 1.128 591 F HN 0.130 nan 8.300 nan 0.000 0.475 592 V N 5.179 125.217 119.914 0.206 0.000 2.531 592 V HA 0.472 4.595 4.120 0.005 0.000 0.301 592 V C -0.918 175.122 176.094 -0.089 0.000 1.034 592 V CA -0.752 61.533 62.300 -0.025 0.000 0.865 592 V CB 1.976 33.595 31.823 -0.340 0.000 0.995 592 V HN 0.563 nan 8.190 nan 0.000 0.424 593 I N 4.814 125.271 120.570 -0.189 0.000 2.436 593 I HA 0.575 4.748 4.170 0.005 0.000 0.289 593 I C -0.415 175.642 176.117 -0.100 0.000 1.010 593 I CA 0.048 61.148 61.300 -0.334 0.000 1.098 593 I CB 1.615 39.076 38.000 -0.898 0.000 1.266 593 I HN 0.591 nan 8.210 nan 0.000 0.434 594 N N 5.140 123.806 118.700 -0.057 0.000 2.472 594 N HA 0.363 5.106 4.740 0.005 0.000 0.289 594 N C -0.290 175.240 175.510 0.032 0.000 1.156 594 N CA -0.469 52.574 53.050 -0.012 0.000 0.940 594 N CB 1.145 39.621 38.487 -0.018 0.000 1.200 594 N HN 0.663 nan 8.380 nan 0.000 0.511 595 N N -0.943 117.752 118.700 -0.008 0.000 2.721 595 N HA -0.216 4.527 4.740 0.005 0.000 0.249 595 N C -0.916 174.553 175.510 -0.069 0.000 1.072 595 N CA 0.531 53.561 53.050 -0.033 0.000 0.710 595 N CB -0.781 37.722 38.487 0.026 0.000 0.993 595 N HN 0.592 nan 8.380 nan 0.000 0.547 596 A N 0.786 123.559 122.820 -0.079 0.000 2.798 596 A HA 0.413 4.736 4.320 0.005 0.000 0.316 596 A C 0.723 178.227 177.584 -0.132 0.000 1.506 596 A CA -0.201 51.681 52.037 -0.258 0.000 1.162 596 A CB -0.132 18.718 19.000 -0.250 0.000 1.138 596 A HN 0.298 nan 8.150 nan 0.000 0.532 597 T N -0.104 114.325 114.554 -0.209 0.000 2.897 597 T HA 0.564 4.917 4.350 0.005 0.000 0.294 597 T C 0.229 174.978 174.700 0.081 0.000 1.004 597 T CA -0.292 61.807 62.100 -0.002 0.000 1.106 597 T CB 1.392 70.246 68.868 -0.024 0.000 0.949 597 T HN 0.323 nan 8.240 nan 0.000 0.520 598 T N 0.939 115.696 114.554 0.338 0.000 2.916 598 T HA 0.711 5.064 4.350 0.005 0.000 0.292 598 T C 0.082 174.851 174.700 0.115 0.000 1.055 598 T CA -0.429 61.784 62.100 0.188 0.000 1.009 598 T CB 1.485 70.592 68.868 0.398 0.000 1.118 598 T HN 1.012 nan 8.240 nan 0.000 0.497 599 A N 1.531 124.381 122.820 0.049 0.000 2.274 599 A HA 0.779 5.102 4.320 0.005 0.000 0.297 599 A C 0.207 177.802 177.584 0.019 0.000 1.191 599 A CA -0.799 51.254 52.037 0.027 0.000 0.889 599 A CB -0.128 18.880 19.000 0.013 0.000 1.294 599 A HN 0.990 nan 8.150 nan 0.000 0.506 600 L N -1.237 119.990 121.223 0.008 0.000 2.615 600 L HA 0.456 4.799 4.340 0.005 0.000 0.271 600 L C 0.817 177.695 176.870 0.014 0.000 1.183 600 L CA 0.397 55.238 54.840 0.002 0.000 0.933 600 L CB -1.001 41.058 42.059 -0.000 0.000 1.199 600 L HN 1.554 nan 8.230 nan 0.000 0.487 601 G N 2.103 110.915 108.800 0.020 0.000 2.283 601 G HA2 -0.346 3.617 3.960 0.005 0.000 0.280 601 G HA3 -0.346 3.617 3.960 0.005 0.000 0.280 601 G C 0.154 175.086 174.900 0.054 0.000 1.029 601 G CA 0.792 45.915 45.100 0.039 0.000 0.840 601 G HN 0.985 nan 8.290 nan 0.000 0.505 602 Q N -0.225 119.608 119.800 0.056 0.000 2.241 602 Q HA 0.545 4.888 4.340 0.005 0.000 0.254 602 Q C -0.234 175.803 176.000 0.062 0.000 0.917 602 Q CA -0.793 55.037 55.803 0.044 0.000 0.919 602 Q CB 0.621 29.368 28.738 0.014 0.000 1.237 602 Q HN 0.355 nan 8.270 nan 0.000 0.434 603 N N 1.574 120.292 118.700 0.031 0.000 2.321 603 N HA 0.408 5.151 4.740 0.005 0.000 0.290 603 N C -1.457 173.782 175.510 -0.452 0.000 1.212 603 N CA -0.440 52.513 53.050 -0.162 0.000 0.767 603 N CB 2.190 40.639 38.487 -0.063 0.000 1.494 603 N HN 0.311 nan 8.380 nan 0.000 0.479 604 V N 1.725 120.936 119.914 -1.173 0.000 2.539 604 V HA 0.557 4.680 4.120 0.005 0.000 0.292 604 V C -0.702 174.940 176.094 -0.754 0.000 1.045 604 V CA -0.157 61.622 62.300 -0.868 0.000 0.945 604 V CB 0.464 31.456 31.823 -1.385 0.000 0.993 604 V HN 0.473 nan 8.190 nan 0.000 0.464 605 F N 3.386 123.210 119.950 -0.211 0.000 2.613 605 F HA 0.714 5.244 4.527 0.005 0.000 0.314 605 F C -0.476 175.286 175.800 -0.065 0.000 1.075 605 F CA -0.858 57.040 58.000 -0.171 0.000 0.945 605 F CB 1.934 40.807 39.000 -0.211 0.000 1.310 605 F HN 0.316 nan 8.300 nan 0.000 0.467 606 L N 1.140 122.374 121.223 0.019 0.000 2.346 606 L HA 0.864 5.207 4.340 0.005 0.000 0.276 606 L C -0.543 176.210 176.870 -0.195 0.000 1.006 606 L CA 0.180 54.889 54.840 -0.218 0.000 0.817 606 L CB 1.881 43.685 42.059 -0.425 0.000 1.272 606 L HN 0.659 nan 8.230 nan 0.000 0.421 607 T N 2.400 116.836 114.554 -0.198 0.000 2.816 607 T HA 0.938 5.291 4.350 0.005 0.000 0.299 607 T C -0.714 173.759 174.700 -0.379 0.000 1.230 607 T CA -0.012 61.978 62.100 -0.183 0.000 1.007 607 T CB 1.516 70.399 68.868 0.025 0.000 1.289 607 T HN 1.131 nan 8.240 nan 0.000 0.508 608 G N 1.114 109.476 108.800 -0.730 0.000 2.489 608 G HA2 0.319 4.282 3.960 0.005 0.000 0.305 608 G HA3 0.319 4.282 3.960 0.005 0.000 0.305 608 G C -0.528 173.503 174.900 -1.448 0.000 1.311 608 G CA -0.135 44.200 45.100 -1.276 0.000 0.813 608 G HN 0.743 nan 8.290 nan 0.000 0.480 609 N N -0.694 117.409 118.700 -0.994 0.000 2.313 609 N HA 0.116 4.859 4.740 0.005 0.000 0.207 609 N C 0.377 175.782 175.510 -0.175 0.000 1.141 609 N CA 0.558 53.317 53.050 -0.485 0.000 0.830 609 N CB 0.281 38.816 38.487 0.080 0.000 1.008 609 N HN 0.923 nan 8.380 nan 0.000 0.481 610 V N -3.305 116.504 119.914 -0.175 0.000 3.001 610 V HA 0.499 4.622 4.120 0.005 0.000 0.314 610 V C 1.345 177.397 176.094 -0.069 0.000 1.099 610 V CA -0.445 61.816 62.300 -0.063 0.000 0.989 610 V CB 1.202 33.012 31.823 -0.022 0.000 1.040 610 V HN 0.073 nan 8.190 nan 0.000 0.434 611 S N 0.358 116.048 115.700 -0.016 0.000 2.399 611 S HA -0.185 4.288 4.470 0.005 0.000 0.231 611 S C 1.306 175.899 174.600 -0.012 0.000 1.022 611 S CA 1.562 59.758 58.200 -0.007 0.000 0.983 611 S CB -0.631 62.587 63.200 0.030 0.000 0.803 611 S HN 0.896 nan 8.310 nan 0.000 0.480 612 E N 0.785 120.983 120.200 -0.003 0.000 2.333 612 E HA 0.052 4.405 4.350 0.005 0.000 0.198 612 E C 1.051 177.636 176.600 -0.025 0.000 1.007 612 E CA 0.496 56.903 56.400 0.010 0.000 0.845 612 E CB -0.223 29.495 29.700 0.030 0.000 0.766 612 E HN 0.345 nan 8.360 nan 0.000 0.507 613 L N -1.121 120.048 121.223 -0.089 0.000 2.667 613 L HA 0.328 4.671 4.340 0.005 0.000 0.232 613 L C 1.206 177.982 176.870 -0.157 0.000 1.138 613 L CA 0.727 55.468 54.840 -0.165 0.000 0.921 613 L CB 0.127 42.029 42.059 -0.263 0.000 1.180 613 L HN 0.204 nan 8.230 nan 0.000 0.487 614 G N 0.136 108.879 108.800 -0.096 0.000 2.143 614 G HA2 -0.361 3.602 3.960 0.005 0.000 0.249 614 G HA3 -0.361 3.602 3.960 0.005 0.000 0.249 614 G C 0.660 175.530 174.900 -0.051 0.000 0.981 614 G CA 0.212 45.276 45.100 -0.060 0.000 0.665 614 G HN 0.458 nan 8.290 nan 0.000 0.528 615 N N -1.511 117.120 118.700 -0.115 0.000 2.699 615 N HA -0.244 4.499 4.740 0.005 0.000 0.256 615 N C 0.973 176.527 175.510 0.074 0.000 0.993 615 N CA 1.320 54.314 53.050 -0.094 0.000 0.759 615 N CB -1.112 37.385 38.487 0.017 0.000 0.906 615 N HN 1.011 nan 8.380 nan 0.000 0.541 616 W N -3.219 118.131 121.300 0.084 0.000 2.902 616 W HA -0.282 4.381 4.660 0.005 0.000 0.278 616 W C 0.460 177.092 176.519 0.189 0.000 1.066 616 W CA 0.424 57.863 57.345 0.157 0.000 0.570 616 W CB -1.260 28.256 29.460 0.095 0.000 2.092 616 W HN 0.362 nan 8.180 nan 0.000 1.423 617 D N 0.263 120.815 120.400 0.253 0.000 2.325 617 D HA 0.166 4.809 4.640 0.005 0.000 0.251 617 D C -0.977 175.377 176.300 0.090 0.000 1.196 617 D CA -1.994 52.108 54.000 0.170 0.000 0.866 617 D CB 1.278 42.128 40.800 0.084 0.000 1.101 617 D HN -0.186 nan 8.370 nan 0.000 0.476 618 P HA -0.101 nan 4.420 nan 0.000 0.216 618 P C 0.486 177.659 177.300 -0.212 0.000 1.150 618 P CA 0.863 63.871 63.100 -0.154 0.000 0.837 618 P CB 0.260 31.844 31.700 -0.193 0.000 0.786 619 N N -1.368 117.257 118.700 -0.125 0.000 2.571 619 N HA -0.037 4.706 4.740 0.005 0.000 0.189 619 N C 0.771 176.219 175.510 -0.104 0.000 1.154 619 N CA 0.642 53.613 53.050 -0.131 0.000 0.907 619 N CB -0.656 37.786 38.487 -0.076 0.000 0.977 619 N HN 0.227 nan 8.380 nan 0.000 0.449 620 N N -0.476 118.173 118.700 -0.084 0.000 2.241 620 N HA 0.192 4.935 4.740 0.005 0.000 0.238 620 N C -0.596 174.876 175.510 -0.063 0.000 1.244 620 N CA -0.096 52.919 53.050 -0.057 0.000 0.880 620 N CB 1.073 39.544 38.487 -0.026 0.000 1.179 620 N HN 0.053 nan 8.380 nan 0.000 0.513 621 A N 1.054 123.815 122.820 -0.099 0.000 2.386 621 A HA 0.322 4.645 4.320 0.005 0.000 0.248 621 A C 0.427 178.032 177.584 0.034 0.000 1.082 621 A CA -0.096 51.904 52.037 -0.062 0.000 0.789 621 A CB 0.431 19.360 19.000 -0.117 0.000 1.025 621 A HN 0.111 nan 8.150 nan 0.000 0.490 622 I N 1.757 122.320 120.570 -0.011 0.000 2.471 622 I HA 0.465 4.638 4.170 0.005 0.000 0.286 622 I C 1.048 177.046 176.117 -0.198 0.000 1.079 622 I CA 1.594 62.837 61.300 -0.096 0.000 1.398 622 I CB -0.591 37.321 38.000 -0.146 0.000 1.403 622 I HN 1.009 nan 8.210 nan 0.000 0.530 623 G N 8.646 117.218 108.800 -0.380 0.000 2.320 623 G HA2 0.064 4.027 3.960 0.005 0.000 0.274 623 G HA3 0.064 4.027 3.960 0.005 0.000 0.274 623 G C -3.095 171.520 174.900 -0.476 0.000 1.324 623 G CA -0.878 43.738 45.100 -0.807 0.000 0.957 623 G HN 0.426 nan 8.290 nan 0.000 0.481 624 P HA 0.343 nan 4.420 nan 0.000 0.269 624 P C 0.241 177.104 177.300 -0.728 0.000 1.209 624 P CA 0.070 62.563 63.100 -1.013 0.000 0.776 624 P CB 0.463 31.845 31.700 -0.530 0.000 0.876 625 M N 1.685 120.916 119.600 -0.615 0.000 2.157 625 M HA 0.160 4.643 4.480 0.005 0.000 0.304 625 M C 0.242 176.620 176.300 0.131 0.000 1.171 625 M CA 0.176 55.274 55.300 -0.336 0.000 1.157 625 M CB 0.012 32.575 32.600 -0.062 0.000 1.403 625 M HN 0.270 nan 8.290 nan 0.000 0.473 626 Y N 1.129 121.437 120.300 0.014 0.000 2.354 626 Y HA 0.261 4.814 4.550 0.005 0.000 0.322 626 Y C 0.619 176.346 175.900 -0.289 0.000 1.253 626 Y CA -1.321 56.640 58.100 -0.232 0.000 1.272 626 Y CB 0.549 38.656 38.460 -0.588 0.000 1.255 626 Y HN 0.699 nan 8.280 nan 0.000 0.500 627 N N -1.602 117.065 118.700 -0.055 0.000 2.228 627 N HA 0.082 4.825 4.740 0.005 0.000 0.237 627 N C -0.324 175.167 175.510 -0.031 0.000 1.382 627 N CA -0.084 52.890 53.050 -0.127 0.000 0.787 627 N CB -0.107 37.927 38.487 -0.755 0.000 1.320 627 N HN 0.631 nan 8.380 nan 0.000 0.507 628 Q N -0.327 119.500 119.800 0.044 0.000 2.606 628 Q HA 0.313 4.656 4.340 0.005 0.000 0.215 628 Q C 1.197 177.160 176.000 -0.063 0.000 0.908 628 Q CA 0.654 56.439 55.803 -0.030 0.000 0.908 628 Q CB 0.592 29.285 28.738 -0.074 0.000 1.120 628 Q HN 0.092 nan 8.270 nan 0.000 0.628 629 V N 0.292 120.148 119.914 -0.097 0.000 2.278 629 V HA -0.118 4.005 4.120 0.005 0.000 0.238 629 V C 2.104 177.786 176.094 -0.687 0.000 1.039 629 V CA 1.215 63.303 62.300 -0.353 0.000 1.017 629 V CB -0.367 31.242 31.823 -0.356 0.000 0.657 629 V HN 0.119 nan 8.190 nan 0.000 0.462 630 V N -1.744 117.573 119.914 -0.995 0.000 2.453 630 V HA -0.056 4.067 4.120 0.005 0.000 0.247 630 V C 0.647 176.045 176.094 -1.161 0.000 1.048 630 V CA 1.370 62.874 62.300 -1.327 0.000 1.049 630 V CB -0.553 30.265 31.823 -1.675 0.000 0.672 630 V HN 0.490 nan 8.190 nan 0.000 0.457 631 Y N -1.471 118.448 120.300 -0.635 0.000 2.576 631 Y HA 0.691 5.245 4.550 0.005 0.000 0.346 631 Y C -0.264 175.593 175.900 -0.072 0.000 1.018 631 Y CA -1.264 56.691 58.100 -0.240 0.000 1.050 631 Y CB 1.683 40.077 38.460 -0.110 0.000 1.280 631 Y HN -0.024 nan 8.280 nan 0.000 0.474 632 Q N 0.405 120.267 119.800 0.103 0.000 2.377 632 Q HA 0.319 4.662 4.340 0.005 0.000 0.271 632 Q C -1.462 174.539 176.000 0.003 0.000 1.077 632 Q CA -1.035 54.789 55.803 0.035 0.000 0.820 632 Q CB 1.626 30.367 28.738 0.005 0.000 1.347 632 Q HN 0.567 nan 8.270 nan 0.000 0.444 633 Y N 4.228 124.404 120.300 -0.207 0.000 2.987 633 Y HA -0.051 4.502 4.550 0.005 0.000 0.339 633 Y C -1.162 174.673 175.900 -0.108 0.000 1.272 633 Y CA -0.422 57.508 58.100 -0.285 0.000 1.562 633 Y CB 0.694 38.939 38.460 -0.357 0.000 1.253 633 Y HN 0.579 nan 8.280 nan 0.000 0.604 634 P HA 0.029 nan 4.420 nan 0.000 0.255 634 P C -0.510 176.643 177.300 -0.245 0.000 1.301 634 P CA 0.204 62.736 63.100 -0.947 0.000 0.817 634 P CB -0.008 31.220 31.700 -0.787 0.000 1.259 635 T N 0.882 115.355 114.554 -0.136 0.000 2.856 635 T HA 0.293 4.646 4.350 0.005 0.000 0.292 635 T C -0.662 174.091 174.700 0.089 0.000 0.980 635 T CA 0.159 62.278 62.100 0.032 0.000 1.091 635 T CB 0.563 69.439 68.868 0.013 0.000 0.936 635 T HN 0.035 nan 8.240 nan 0.000 0.503 636 W N 2.809 124.120 121.300 0.019 0.000 2.761 636 W HA 0.620 5.283 4.660 0.005 0.000 0.340 636 W C -0.773 175.839 176.519 0.156 0.000 1.072 636 W CA -1.049 56.354 57.345 0.098 0.000 1.215 636 W CB 0.959 30.417 29.460 -0.004 0.000 1.420 636 W HN 0.707 nan 8.180 nan 0.000 0.519 637 Y N -0.269 120.238 120.300 0.346 0.000 2.588 637 Y HA 0.823 5.375 4.550 0.005 0.000 0.343 637 Y C -1.927 174.243 175.900 0.451 0.000 1.065 637 Y CA -2.758 55.532 58.100 0.316 0.000 1.038 637 Y CB 1.678 40.329 38.460 0.320 0.000 1.297 637 Y HN 0.537 nan 8.280 nan 0.000 0.467 638 Y N 0.495 120.941 120.300 0.243 0.000 2.565 638 Y HA 0.346 4.899 4.550 0.005 0.000 0.330 638 Y C -1.730 174.371 175.900 0.335 0.000 1.150 638 Y CA -1.112 57.061 58.100 0.121 0.000 1.055 638 Y CB 1.876 40.327 38.460 -0.015 0.000 1.337 638 Y HN 0.761 nan 8.280 nan 0.000 0.457 639 D N 3.943 124.371 120.400 0.048 0.000 2.329 639 D HA 0.478 5.121 4.640 0.005 0.000 0.232 639 D C -1.069 175.360 176.300 0.214 0.000 1.088 639 D CA 0.057 54.190 54.000 0.222 0.000 0.835 639 D CB 1.978 42.942 40.800 0.274 0.000 1.078 639 D HN 0.184 nan 8.370 nan 0.000 0.495 640 V N 1.304 121.431 119.914 0.355 0.000 2.604 640 V HA 0.295 4.418 4.120 0.005 0.000 0.305 640 V C 0.375 176.644 176.094 0.291 0.000 1.043 640 V CA -0.896 61.615 62.300 0.352 0.000 0.888 640 V CB 2.097 34.144 31.823 0.374 0.000 0.995 640 V HN 0.460 nan 8.190 nan 0.000 0.429 641 S N 2.950 118.785 115.700 0.226 0.000 2.505 641 S HA 0.584 5.057 4.470 0.005 0.000 0.276 641 S C -0.590 174.096 174.600 0.144 0.000 1.274 641 S CA -0.110 58.179 58.200 0.149 0.000 1.053 641 S CB 0.766 64.013 63.200 0.077 0.000 0.919 641 S HN 0.656 nan 8.310 nan 0.000 0.490 642 V N 6.793 126.789 119.914 0.138 0.000 3.114 642 V HA 0.662 4.785 4.120 0.005 0.000 0.308 642 V C -2.422 173.728 176.094 0.093 0.000 1.168 642 V CA -2.193 60.184 62.300 0.129 0.000 1.015 642 V CB 2.754 34.706 31.823 0.215 0.000 1.050 642 V HN 0.787 nan 8.190 nan 0.000 0.433 643 P HA 0.246 nan 4.420 nan 0.000 0.271 643 P C -0.821 176.509 177.300 0.050 0.000 1.216 643 P CA 0.067 63.196 63.100 0.049 0.000 0.771 643 P CB 0.983 32.707 31.700 0.040 0.000 0.864 644 A N 2.823 125.664 122.820 0.035 0.000 2.354 644 A HA 0.539 4.862 4.320 0.005 0.000 0.269 644 A C 1.297 178.885 177.584 0.008 0.000 1.109 644 A CA 0.241 52.294 52.037 0.026 0.000 0.800 644 A CB -0.807 18.207 19.000 0.025 0.000 1.045 644 A HN 0.828 nan 8.150 nan 0.000 0.489 645 G N 0.737 109.530 108.800 -0.012 0.000 2.198 645 G HA2 -0.114 3.849 3.960 0.005 0.000 0.257 645 G HA3 -0.114 3.849 3.960 0.005 0.000 0.257 645 G C -0.120 174.763 174.900 -0.030 0.000 1.042 645 G CA 0.686 45.770 45.100 -0.027 0.000 0.791 645 G HN 1.725 nan 8.290 nan 0.000 0.502 646 Q N -1.703 118.076 119.800 -0.035 0.000 2.534 646 Q HA 0.698 5.041 4.340 0.005 0.000 0.290 646 Q C -0.774 175.215 176.000 -0.018 0.000 0.991 646 Q CA -0.878 54.916 55.803 -0.016 0.000 0.783 646 Q CB 0.857 29.602 28.738 0.012 0.000 1.470 646 Q HN 0.107 nan 8.270 nan 0.000 0.406 647 T N 2.587 117.148 114.554 0.011 0.000 2.749 647 T HA 0.482 4.835 4.350 0.005 0.000 0.295 647 T C 0.170 174.939 174.700 0.114 0.000 0.936 647 T CA -0.445 61.685 62.100 0.050 0.000 1.060 647 T CB -0.208 68.691 68.868 0.052 0.000 0.904 647 T HN 0.468 nan 8.240 nan 0.000 0.500 648 I N 0.240 120.928 120.570 0.197 0.000 2.607 648 I HA 0.713 4.886 4.170 0.005 0.000 0.305 648 I C -0.240 176.089 176.117 0.353 0.000 0.995 648 I CA -1.030 60.412 61.300 0.237 0.000 1.148 648 I CB 1.832 39.981 38.000 0.247 0.000 1.323 648 I HN 0.397 nan 8.210 nan 0.000 0.461 649 E N 4.043 124.414 120.200 0.285 0.000 2.212 649 E HA 0.664 5.017 4.350 0.005 0.000 0.268 649 E C -1.536 175.222 176.600 0.264 0.000 0.902 649 E CA -0.619 55.963 56.400 0.303 0.000 0.779 649 E CB 2.520 32.435 29.700 0.359 0.000 1.172 649 E HN 0.600 nan 8.360 nan 0.000 0.409 650 F N -0.534 119.485 119.950 0.115 0.000 2.713 650 F HA 0.669 5.200 4.527 0.005 0.000 0.311 650 F C -1.181 174.687 175.800 0.112 0.000 1.141 650 F CA -1.080 56.866 58.000 -0.089 0.000 0.939 650 F CB 1.513 40.379 39.000 -0.224 0.000 1.325 650 F HN 0.111 nan 8.300 nan 0.000 0.453 651 K N 0.833 121.361 120.400 0.213 0.000 2.533 651 K HA 0.605 4.928 4.320 0.005 0.000 0.272 651 K C -2.032 174.571 176.600 0.004 0.000 0.985 651 K CA -0.796 55.598 56.287 0.179 0.000 0.876 651 K CB 2.830 35.608 32.500 0.464 0.000 1.452 651 K HN 0.563 nan 8.250 nan 0.000 0.439 652 F N 1.576 121.641 119.950 0.193 0.000 2.483 652 F HA 0.591 5.121 4.527 0.005 0.000 0.329 652 F C -0.044 175.859 175.800 0.172 0.000 1.064 652 F CA -0.801 57.304 58.000 0.176 0.000 0.986 652 F CB 1.118 40.257 39.000 0.233 0.000 1.218 652 F HN 0.267 nan 8.300 nan 0.000 0.484 653 L N -0.690 120.739 121.223 0.344 0.000 2.469 653 L HA 0.712 5.055 4.340 0.005 0.000 0.256 653 L C -1.594 175.388 176.870 0.187 0.000 1.006 653 L CA -1.189 53.739 54.840 0.147 0.000 0.832 653 L CB 2.163 43.959 42.059 -0.439 0.000 1.421 653 L HN 0.399 nan 8.230 nan 0.000 0.410 654 K N 1.120 121.577 120.400 0.095 0.000 2.221 654 K HA 0.611 4.934 4.320 0.005 0.000 0.258 654 K C -1.180 175.394 176.600 -0.044 0.000 0.944 654 K CA -0.809 55.469 56.287 -0.016 0.000 0.823 654 K CB 2.200 34.615 32.500 -0.141 0.000 1.113 654 K HN 0.482 nan 8.250 nan 0.000 0.431 655 K N 2.845 123.249 120.400 0.006 0.000 2.450 655 K HA 0.199 4.522 4.320 0.005 0.000 0.257 655 K C -1.052 175.535 176.600 -0.022 0.000 0.953 655 K CA -0.815 55.411 56.287 -0.102 0.000 0.844 655 K CB 1.764 34.072 32.500 -0.320 0.000 1.103 655 K HN 0.384 nan 8.250 nan 0.000 0.429 656 Q N 1.618 121.396 119.800 -0.036 0.000 2.569 656 Q HA 0.278 4.621 4.340 0.005 0.000 0.226 656 Q C 0.843 176.828 176.000 -0.025 0.000 1.136 656 Q CA 0.012 55.808 55.803 -0.012 0.000 0.947 656 Q CB 1.187 29.920 28.738 -0.008 0.000 1.218 656 Q HN 0.916 nan 8.270 nan 0.000 0.547 657 G N 1.675 110.461 108.800 -0.024 0.000 3.024 657 G HA2 -0.468 3.495 3.960 0.005 0.000 0.339 657 G HA3 -0.468 3.495 3.960 0.005 0.000 0.339 657 G C 1.234 176.096 174.900 -0.064 0.000 1.200 657 G CA 1.029 46.109 45.100 -0.034 0.000 0.968 657 G HN 0.751 nan 8.290 nan 0.000 0.593 658 S N -0.516 115.154 115.700 -0.049 0.000 2.458 658 S HA 0.297 4.770 4.470 0.005 0.000 0.223 658 S C 1.051 175.617 174.600 -0.056 0.000 1.019 658 S CA 1.487 59.656 58.200 -0.052 0.000 0.937 658 S CB 0.071 63.253 63.200 -0.030 0.000 0.788 658 S HN 0.978 nan 8.310 nan 0.000 0.511 659 T N 2.970 117.495 114.554 -0.048 0.000 2.780 659 T HA 0.521 4.874 4.350 0.005 0.000 0.294 659 T C -0.521 174.131 174.700 -0.079 0.000 0.949 659 T CA -0.402 61.675 62.100 -0.039 0.000 1.074 659 T CB 1.599 70.458 68.868 -0.015 0.000 0.910 659 T HN 0.196 nan 8.240 nan 0.000 0.501 660 V N 4.244 124.101 119.914 -0.095 0.000 2.417 660 V HA 0.596 4.719 4.120 0.005 0.000 0.291 660 V C -0.403 175.618 176.094 -0.122 0.000 1.024 660 V CA -0.285 61.897 62.300 -0.197 0.000 0.861 660 V CB 1.606 33.235 31.823 -0.325 0.000 0.985 660 V HN 0.972 nan 8.190 nan 0.000 0.436 661 T N 7.184 121.683 114.554 -0.092 0.000 2.772 661 T HA 0.444 4.797 4.350 0.005 0.000 0.288 661 T C -0.796 173.982 174.700 0.131 0.000 0.994 661 T CA -0.004 62.144 62.100 0.080 0.000 0.951 661 T CB 0.525 69.458 68.868 0.108 0.000 0.933 661 T HN 0.738 nan 8.240 nan 0.000 0.447 662 W N 1.924 123.321 121.300 0.161 0.000 2.303 662 W HA 0.406 5.069 4.660 0.005 0.000 0.334 662 W C 0.906 177.471 176.519 0.077 0.000 1.197 662 W CA -0.871 56.547 57.345 0.122 0.000 1.262 662 W CB 0.521 29.998 29.460 0.029 0.000 1.153 662 W HN 0.614 nan 8.180 nan 0.000 0.596 663 E N 1.221 121.489 120.200 0.113 0.000 2.383 663 E HA 0.347 4.700 4.350 0.005 0.000 0.264 663 E C 0.648 177.158 176.600 -0.149 0.000 1.050 663 E CA -0.134 55.988 56.400 -0.463 0.000 0.896 663 E CB 0.573 29.822 29.700 -0.752 0.000 0.982 663 E HN 0.568 nan 8.360 nan 0.000 0.424 664 G N 1.690 110.375 108.800 -0.192 0.000 2.588 664 G HA2 0.544 4.507 3.960 0.005 0.000 0.281 664 G HA3 0.544 4.507 3.960 0.005 0.000 0.281 664 G C 0.281 175.102 174.900 -0.131 0.000 1.236 664 G CA -0.065 44.975 45.100 -0.101 0.000 0.969 664 G HN 0.954 nan 8.290 nan 0.000 0.504 665 G N -1.653 107.088 108.800 -0.100 0.000 2.698 665 G HA2 0.408 4.371 3.960 0.005 0.000 0.225 665 G HA3 0.408 4.371 3.960 0.005 0.000 0.225 665 G C 0.200 175.034 174.900 -0.110 0.000 1.345 665 G CA 0.032 45.075 45.100 -0.095 0.000 0.871 665 G HN 1.986 nan 8.290 nan 0.000 0.540 666 A N -0.192 122.569 122.820 -0.098 0.000 2.287 666 A HA 0.678 5.001 4.320 0.005 0.000 0.273 666 A C 0.689 178.206 177.584 -0.110 0.000 1.091 666 A CA -0.077 51.897 52.037 -0.105 0.000 0.817 666 A CB 0.224 19.177 19.000 -0.077 0.000 1.069 666 A HN 0.963 nan 8.150 nan 0.000 0.492 667 N N 0.875 119.510 118.700 -0.108 0.000 2.479 667 N HA 0.118 4.861 4.740 0.005 0.000 0.257 667 N C -0.107 175.322 175.510 -0.136 0.000 1.232 667 N CA 0.335 53.341 53.050 -0.074 0.000 0.920 667 N CB 0.385 38.888 38.487 0.027 0.000 1.105 667 N HN 0.542 nan 8.380 nan 0.000 0.444 668 R N 0.557 120.857 120.500 -0.334 0.000 2.459 668 R HA 0.408 4.751 4.340 0.005 0.000 0.281 668 R C -0.133 175.901 176.300 -0.444 0.000 1.050 668 R CA -0.273 55.486 56.100 -0.568 0.000 1.055 668 R CB 0.618 30.186 30.300 -1.221 0.000 1.045 668 R HN 0.365 nan 8.270 nan 0.000 0.495 669 T N 2.300 116.798 114.554 -0.093 0.000 2.863 669 T HA 0.562 4.915 4.350 0.005 0.000 0.285 669 T C -1.491 173.487 174.700 0.464 0.000 1.009 669 T CA -0.438 61.776 62.100 0.189 0.000 0.989 669 T CB 0.901 69.841 68.868 0.119 0.000 1.004 669 T HN 0.417 nan 8.240 nan 0.000 0.455 670 F N 1.631 121.792 119.950 0.352 0.000 2.635 670 F HA 0.460 4.990 4.527 0.005 0.000 0.314 670 F C -0.909 174.999 175.800 0.180 0.000 1.119 670 F CA -0.600 57.572 58.000 0.287 0.000 1.000 670 F CB 1.571 40.785 39.000 0.357 0.000 1.278 670 F HN 0.429 nan 8.300 nan 0.000 0.446 671 T N 4.126 118.361 114.554 -0.532 0.000 2.733 671 T HA 0.386 4.739 4.350 0.005 0.000 0.294 671 T C 0.077 174.221 174.700 -0.925 0.000 0.956 671 T CA -0.341 61.476 62.100 -0.472 0.000 0.987 671 T CB 0.483 69.199 68.868 -0.253 0.000 0.920 671 T HN 0.742 nan 8.240 nan 0.000 0.470 672 T N 3.155 117.376 114.554 -0.555 0.000 2.900 672 T HA 0.312 4.665 4.350 0.005 0.000 0.307 672 T C -2.267 172.313 174.700 -0.200 0.000 1.065 672 T CA -1.548 60.342 62.100 -0.350 0.000 1.105 672 T CB 0.249 69.112 68.868 -0.007 0.000 0.979 672 T HN 0.248 nan 8.240 nan 0.000 0.544 673 P HA 0.124 nan 4.420 nan 0.000 0.272 673 P C 1.094 178.397 177.300 0.004 0.000 1.230 673 P CA -0.342 62.750 63.100 -0.014 0.000 0.788 673 P CB 0.593 32.324 31.700 0.051 0.000 0.949 674 T N -2.424 112.133 114.554 0.006 0.000 3.023 674 T HA 0.069 4.422 4.350 0.005 0.000 0.266 674 T C 0.845 175.561 174.700 0.027 0.000 1.093 674 T CA 0.572 62.679 62.100 0.012 0.000 1.129 674 T CB -0.419 68.453 68.868 0.007 0.000 0.899 674 T HN 0.676 nan 8.240 nan 0.000 0.491 675 S N -1.251 114.474 115.700 0.041 0.000 2.588 675 S HA 0.675 5.148 4.470 0.005 0.000 0.269 675 S C 0.139 174.785 174.600 0.077 0.000 1.157 675 S CA -0.394 57.839 58.200 0.055 0.000 0.824 675 S CB 1.350 64.577 63.200 0.044 0.000 1.126 675 S HN 1.456 nan 8.310 nan 0.000 0.464 676 G N 0.597 109.459 108.800 0.102 0.000 2.632 676 G HA2 0.129 4.092 3.960 0.005 0.000 0.224 676 G HA3 0.129 4.092 3.960 0.005 0.000 0.224 676 G C -0.336 174.649 174.900 0.142 0.000 1.341 676 G CA -0.150 45.022 45.100 0.121 0.000 0.880 676 G HN 1.477 nan 8.290 nan 0.000 0.566 677 T N -0.021 114.616 114.554 0.139 0.000 2.926 677 T HA 0.946 5.299 4.350 0.005 0.000 0.289 677 T C 0.285 175.067 174.700 0.135 0.000 1.054 677 T CA 0.651 62.842 62.100 0.152 0.000 1.015 677 T CB 1.682 70.644 68.868 0.157 0.000 1.167 677 T HN 2.192 nan 8.240 nan 0.000 0.526 678 A N 0.626 123.522 122.820 0.126 0.000 2.610 678 A HA 0.782 5.105 4.320 0.005 0.000 0.291 678 A C -0.967 176.610 177.584 -0.012 0.000 1.086 678 A CA -0.774 51.333 52.037 0.116 0.000 0.677 678 A CB 1.518 20.695 19.000 0.295 0.000 1.278 678 A HN 0.655 nan 8.150 nan 0.000 0.414 679 T N 0.682 115.196 114.554 -0.068 0.000 2.861 679 T HA 0.588 4.941 4.350 0.005 0.000 0.287 679 T C -1.009 173.513 174.700 -0.297 0.000 1.003 679 T CA -0.381 61.629 62.100 -0.149 0.000 0.977 679 T CB 1.497 70.360 68.868 -0.008 0.000 0.996 679 T HN 0.686 nan 8.240 nan 0.000 0.448 680 V N 4.187 123.835 119.914 -0.442 0.000 2.384 680 V HA 0.517 4.640 4.120 0.005 0.000 0.287 680 V C -0.184 175.839 176.094 -0.118 0.000 1.020 680 V CA -0.881 61.173 62.300 -0.410 0.000 0.850 680 V CB 1.440 32.843 31.823 -0.701 0.000 0.987 680 V HN 0.775 nan 8.190 nan 0.000 0.436 681 N N 3.963 122.642 118.700 -0.035 0.000 2.399 681 N HA 0.682 5.425 4.740 0.005 0.000 0.280 681 N C -1.550 173.982 175.510 0.037 0.000 1.008 681 N CA -0.057 52.981 53.050 -0.020 0.000 0.894 681 N CB 2.220 40.686 38.487 -0.034 0.000 1.273 681 N HN 0.443 nan 8.380 nan 0.000 0.486 682 V N 2.992 122.934 119.914 0.047 0.000 3.188 682 V HA 0.456 4.579 4.120 0.005 0.000 0.305 682 V C -0.952 175.160 176.094 0.031 0.000 1.232 682 V CA -0.850 61.504 62.300 0.090 0.000 1.043 682 V CB 2.600 34.578 31.823 0.258 0.000 1.068 682 V HN 0.675 nan 8.190 nan 0.000 0.439 683 N N 1.835 120.566 118.700 0.052 0.000 2.405 683 N HA 0.341 5.084 4.740 0.005 0.000 0.299 683 N C -0.943 174.624 175.510 0.096 0.000 1.075 683 N CA -0.474 52.614 53.050 0.063 0.000 0.884 683 N CB 1.346 39.872 38.487 0.064 0.000 1.194 683 N HN 0.744 nan 8.380 nan 0.000 0.491 684 W N 2.629 123.901 121.300 -0.046 0.000 2.264 684 W HA 0.043 4.706 4.660 0.005 0.000 0.331 684 W C -0.771 175.763 176.519 0.024 0.000 1.364 684 W CA 0.208 57.543 57.345 -0.017 0.000 1.253 684 W CB 0.564 30.002 29.460 -0.037 0.000 1.215 684 W HN 0.298 nan 8.180 nan 0.000 0.561 685 Q N 7.222 126.708 119.800 -0.524 0.000 2.368 685 Q HA 0.303 4.647 4.340 0.005 0.000 0.256 685 Q C -1.962 173.744 176.000 -0.490 0.000 0.980 685 Q CA -1.766 53.826 55.803 -0.351 0.000 0.887 685 Q CB 1.499 30.074 28.738 -0.271 0.000 1.221 685 Q HN 0.234 nan 8.270 nan 0.000 0.458 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.204 63.100 0.174 0.000 0.800 686 P CB 0.000 31.838 31.700 0.230 0.000 0.726