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 1ukt_1_B DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGL DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDFRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV NVNWQP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.561 177.584 -0.039 0.000 1.274 1 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 1 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 2 P HA 0.291 nan 4.420 nan 0.000 0.277 2 P C -0.083 177.189 177.300 -0.047 0.000 1.240 2 P CA -0.016 63.065 63.100 -0.033 0.000 0.798 2 P CB 0.628 32.309 31.700 -0.032 0.000 0.979 3 D N 0.061 120.443 120.400 -0.031 0.000 2.228 3 D HA -0.154 4.476 4.640 -0.016 0.000 0.203 3 D C 0.698 176.965 176.300 -0.055 0.000 0.988 3 D CA 1.772 55.755 54.000 -0.029 0.000 0.864 3 D CB -1.436 39.377 40.800 0.022 0.000 0.928 3 D HN 0.231 nan 8.370 nan 0.000 0.469 4 T N -0.203 114.315 114.554 -0.059 0.000 3.148 4 T HA 0.033 4.373 4.350 -0.016 0.000 0.253 4 T C 0.765 175.392 174.700 -0.122 0.000 1.134 4 T CA 0.381 62.426 62.100 -0.092 0.000 1.051 4 T CB -0.277 68.549 68.868 -0.069 0.000 0.959 4 T HN 0.387 nan 8.240 nan 0.000 0.525 5 S N 0.764 116.391 115.700 -0.120 0.000 2.592 5 S HA 0.293 4.753 4.470 -0.016 0.000 0.271 5 S C 1.435 175.921 174.600 -0.191 0.000 1.326 5 S CA -0.787 57.333 58.200 -0.134 0.000 1.024 5 S CB 1.565 64.700 63.200 -0.108 0.000 0.921 5 S HN 0.007 nan 8.310 nan 0.000 0.527 6 V N 2.273 122.069 119.914 -0.198 0.000 2.867 6 V HA -0.111 3.999 4.120 -0.016 0.000 0.260 6 V C 1.777 177.693 176.094 -0.296 0.000 1.099 6 V CA 2.193 64.333 62.300 -0.266 0.000 1.122 6 V CB -1.044 30.631 31.823 -0.246 0.000 0.708 6 V HN 0.975 nan 8.190 nan 0.000 0.490 7 S N 0.606 116.175 115.700 -0.218 0.000 2.561 7 S HA 0.043 4.503 4.470 -0.016 0.000 0.225 7 S C 0.977 175.488 174.600 -0.147 0.000 0.977 7 S CA 0.178 58.275 58.200 -0.172 0.000 0.926 7 S CB -0.467 62.662 63.200 -0.118 0.000 0.769 7 S HN 0.676 nan 8.310 nan 0.000 0.533 8 N N 2.360 120.950 118.700 -0.184 0.000 2.439 8 N HA 0.142 4.873 4.740 -0.016 0.000 0.243 8 N C 0.373 175.766 175.510 -0.194 0.000 1.088 8 N CA 0.058 53.009 53.050 -0.165 0.000 0.940 8 N CB 0.393 38.769 38.487 -0.186 0.000 1.180 8 N HN 0.222 nan 8.380 nan 0.000 0.505 9 K N 2.133 122.503 120.400 -0.050 0.000 2.367 9 K HA 0.068 4.378 4.320 -0.016 0.000 0.194 9 K C 0.856 177.638 176.600 0.303 0.000 1.027 9 K CA 0.223 56.583 56.287 0.122 0.000 1.075 9 K CB 0.654 33.231 32.500 0.128 0.000 0.845 9 K HN 0.382 nan 8.250 nan 0.000 0.529 10 Q N 0.966 120.858 119.800 0.154 0.000 2.123 10 Q HA 0.026 4.356 4.340 -0.016 0.000 0.196 10 Q C -0.140 175.975 176.000 0.192 0.000 0.958 10 Q CA 1.054 56.966 55.803 0.181 0.000 0.841 10 Q CB 0.229 29.020 28.738 0.087 0.000 0.915 10 Q HN 0.274 nan 8.270 nan 0.000 0.455 11 N N -0.706 118.034 118.700 0.067 0.000 2.321 11 N HA 0.337 5.067 4.740 -0.016 0.000 0.299 11 N C -1.068 174.360 175.510 -0.137 0.000 1.048 11 N CA -0.329 52.702 53.050 -0.032 0.000 0.836 11 N CB 1.074 39.560 38.487 -0.001 0.000 1.269 11 N HN -0.050 nan 8.380 nan 0.000 0.486 12 F N 0.194 119.719 119.950 -0.707 0.000 2.706 12 F HA 0.226 4.743 4.527 -0.017 0.000 0.313 12 F C 1.656 177.161 175.800 -0.493 0.000 1.096 12 F CA -0.281 57.325 58.000 -0.657 0.000 1.219 12 F CB 0.320 38.725 39.000 -0.992 0.000 1.051 12 F HN 0.422 nan 8.300 nan 0.000 0.568 13 S N -0.680 114.833 115.700 -0.313 0.000 2.420 13 S HA -0.197 4.263 4.470 -0.016 0.000 0.237 13 S C 1.879 176.224 174.600 -0.425 0.000 1.023 13 S CA 2.019 59.987 58.200 -0.386 0.000 0.991 13 S CB -0.610 62.276 63.200 -0.524 0.000 0.792 13 S HN 0.357 nan 8.310 nan 0.000 0.488 14 T N 1.731 116.040 114.554 -0.408 0.000 3.148 14 T HA 0.087 4.427 4.350 -0.016 0.000 0.253 14 T C 0.302 174.854 174.700 -0.248 0.000 1.134 14 T CA 0.394 62.290 62.100 -0.340 0.000 1.051 14 T CB -0.050 68.651 68.868 -0.279 0.000 0.959 14 T HN 0.409 nan 8.240 nan 0.000 0.525 15 D N 0.711 120.977 120.400 -0.224 0.000 2.384 15 D HA 0.429 5.059 4.640 -0.016 0.000 0.250 15 D C -0.862 175.390 176.300 -0.080 0.000 1.029 15 D CA -0.470 53.440 54.000 -0.149 0.000 0.990 15 D CB 2.737 43.449 40.800 -0.148 0.000 1.175 15 D HN -0.067 nan 8.370 nan 0.000 0.532 16 V N 2.307 122.203 119.914 -0.029 0.000 2.380 16 V HA 0.270 4.380 4.120 -0.016 0.000 0.268 16 V C -0.262 175.893 176.094 0.101 0.000 1.008 16 V CA -0.503 61.804 62.300 0.012 0.000 0.823 16 V CB -0.196 31.614 31.823 -0.022 0.000 1.053 16 V HN 0.406 nan 8.190 nan 0.000 0.446 17 I N 5.065 125.734 120.570 0.165 0.000 2.948 17 I HA 0.116 4.276 4.170 -0.016 0.000 0.290 17 I C -0.390 175.936 176.117 0.349 0.000 1.226 17 I CA 0.382 61.847 61.300 0.276 0.000 1.413 17 I CB 0.307 38.500 38.000 0.322 0.000 1.352 17 I HN 0.665 nan 8.210 nan 0.000 0.597 18 Y N 4.693 125.122 120.300 0.215 0.000 2.332 18 Y HA 0.258 4.795 4.550 -0.022 0.000 0.326 18 Y C -0.134 175.884 175.900 0.195 0.000 0.978 18 Y CA -0.814 57.389 58.100 0.171 0.000 1.205 18 Y CB 1.176 39.688 38.460 0.087 0.000 1.131 18 Y HN 0.527 nan 8.280 nan 0.000 0.462 19 Q N 6.878 126.663 119.800 -0.025 0.000 2.307 19 Q HA 0.439 4.769 4.340 -0.016 0.000 0.259 19 Q C -1.443 174.365 176.000 -0.321 0.000 0.998 19 Q CA -0.113 55.603 55.803 -0.145 0.000 0.923 19 Q CB 0.487 29.099 28.738 -0.209 0.000 1.196 19 Q HN 0.754 nan 8.270 nan 0.000 0.416 20 I N 4.212 124.601 120.570 -0.301 0.000 2.378 20 I HA 0.260 4.420 4.170 -0.016 0.000 0.291 20 I C -0.831 175.066 176.117 -0.367 0.000 0.992 20 I CA -0.838 60.224 61.300 -0.398 0.000 1.154 20 I CB 1.116 38.891 38.000 -0.375 0.000 1.315 20 I HN 0.616 nan 8.210 nan 0.000 0.448 21 F N 5.001 124.556 119.950 -0.658 0.000 2.368 21 F HA 0.175 4.695 4.527 -0.012 0.000 0.362 21 F C 1.698 177.291 175.800 -0.346 0.000 1.137 21 F CA -0.090 57.671 58.000 -0.398 0.000 1.161 21 F CB 0.962 39.814 39.000 -0.246 0.000 1.265 21 F HN 0.537 nan 8.300 nan 0.000 0.530 22 T N 1.144 115.543 114.554 -0.258 0.000 2.653 22 T HA -0.328 4.012 4.350 -0.016 0.000 0.267 22 T C 1.857 176.533 174.700 -0.041 0.000 1.037 22 T CA 2.077 64.037 62.100 -0.234 0.000 1.159 22 T CB -0.184 68.250 68.868 -0.723 0.000 0.859 22 T HN 0.638 nan 8.240 nan 0.000 0.449 23 D N 0.236 120.682 120.400 0.077 0.000 2.348 23 D HA -0.077 4.554 4.640 -0.016 0.000 0.216 23 D C 1.556 177.954 176.300 0.164 0.000 0.970 23 D CA 0.557 54.700 54.000 0.238 0.000 0.889 23 D CB 0.154 41.185 40.800 0.385 0.000 0.912 23 D HN 0.189 nan 8.370 nan 0.000 0.524 24 R N -0.572 119.983 120.500 0.093 0.000 2.432 24 R HA 0.086 4.416 4.340 -0.016 0.000 0.260 24 R C 1.010 177.321 176.300 0.018 0.000 0.935 24 R CA -0.338 55.778 56.100 0.026 0.000 1.080 24 R CB -0.353 29.952 30.300 0.010 0.000 1.155 24 R HN 0.209 nan 8.270 nan 0.000 0.531 25 F N 0.570 120.442 119.950 -0.131 0.000 2.213 25 F HA 0.315 4.829 4.527 -0.021 0.000 0.272 25 F C 0.355 176.238 175.800 0.138 0.000 1.095 25 F CA 0.069 58.055 58.000 -0.024 0.000 1.128 25 F CB 0.118 39.116 39.000 -0.003 0.000 1.091 25 F HN -0.232 nan 8.300 nan 0.000 0.530 26 S N -0.171 115.562 115.700 0.055 0.000 2.572 26 S HA 0.231 4.691 4.470 -0.016 0.000 0.274 26 S C 0.097 174.740 174.600 0.071 0.000 1.150 26 S CA -0.714 57.476 58.200 -0.017 0.000 0.944 26 S CB 1.046 64.133 63.200 -0.188 0.000 1.071 26 S HN 0.339 nan 8.310 nan 0.000 0.479 27 D N 3.886 124.328 120.400 0.071 0.000 2.104 27 D HA 0.022 4.652 4.640 -0.016 0.000 0.194 27 D C 1.673 178.020 176.300 0.077 0.000 0.994 27 D CA 2.571 56.627 54.000 0.094 0.000 0.830 27 D CB -0.453 40.407 40.800 0.101 0.000 0.959 27 D HN 0.971 nan 8.370 nan 0.000 0.452 28 G N 0.635 109.466 108.800 0.051 0.000 3.099 28 G HA2 -0.396 3.554 3.960 -0.016 0.000 0.331 28 G HA3 -0.396 3.554 3.960 -0.016 0.000 0.331 28 G C 0.385 175.313 174.900 0.046 0.000 1.216 28 G CA 0.593 45.722 45.100 0.048 0.000 0.977 28 G HN 0.622 nan 8.290 nan 0.000 0.600 29 N N 3.061 121.794 118.700 0.054 0.000 2.415 29 N HA 0.505 5.236 4.740 -0.016 0.000 0.246 29 N C -1.424 174.098 175.510 0.019 0.000 1.078 29 N CA -1.886 51.186 53.050 0.037 0.000 0.942 29 N CB 1.599 40.113 38.487 0.045 0.000 1.140 29 N HN 0.107 nan 8.380 nan 0.000 0.501 30 P HA 0.091 nan 4.420 nan 0.000 0.227 30 P C 0.661 177.917 177.300 -0.073 0.000 1.161 30 P CA 0.497 63.587 63.100 -0.017 0.000 0.788 30 P CB 0.253 31.951 31.700 -0.004 0.000 0.822 31 A N 1.176 123.963 122.820 -0.055 0.000 2.131 31 A HA -0.191 4.120 4.320 -0.016 0.000 0.220 31 A C 1.673 179.199 177.584 -0.096 0.000 1.158 31 A CA 1.801 53.795 52.037 -0.073 0.000 0.665 31 A CB -1.298 17.676 19.000 -0.043 0.000 0.795 31 A HN 0.299 nan 8.150 nan 0.000 0.460 32 N N -0.584 118.062 118.700 -0.090 0.000 2.280 32 N HA 0.026 4.756 4.740 -0.016 0.000 0.192 32 N C -0.560 174.848 175.510 -0.170 0.000 1.109 32 N CA -0.324 52.660 53.050 -0.110 0.000 0.855 32 N CB -0.596 37.848 38.487 -0.072 0.000 0.974 32 N HN 0.164 nan 8.380 nan 0.000 0.482 33 N N 2.251 120.826 118.700 -0.209 0.000 2.492 33 N HA 0.208 4.938 4.740 -0.016 0.000 0.262 33 N C -2.238 173.004 175.510 -0.447 0.000 1.202 33 N CA -0.897 51.959 53.050 -0.323 0.000 0.926 33 N CB 0.244 38.425 38.487 -0.510 0.000 1.078 33 N HN 0.202 nan 8.380 nan 0.000 0.454 34 P HA 0.190 nan 4.420 nan 0.000 0.273 34 P C -0.186 176.900 177.300 -0.355 0.000 1.250 34 P CA -0.120 62.788 63.100 -0.319 0.000 0.793 34 P CB 0.607 32.121 31.700 -0.310 0.000 1.011 35 T N -3.620 110.840 114.554 -0.157 0.000 2.804 35 T HA 0.698 5.038 4.350 -0.016 0.000 0.290 35 T C 0.379 175.108 174.700 0.048 0.000 1.099 35 T CA -0.137 61.909 62.100 -0.090 0.000 1.011 35 T CB 1.267 70.049 68.868 -0.142 0.000 1.291 35 T HN 0.732 nan 8.240 nan 0.000 0.523 36 G N 0.851 109.692 108.800 0.068 0.000 2.509 36 G HA2 0.089 4.039 3.960 -0.016 0.000 0.256 36 G HA3 0.089 4.039 3.960 -0.016 0.000 0.256 36 G C 0.946 175.914 174.900 0.113 0.000 1.152 36 G CA 0.578 45.722 45.100 0.073 0.000 0.951 36 G HN 1.837 nan 8.290 nan 0.000 0.559 37 A N 0.007 122.887 122.820 0.098 0.000 2.275 37 A HA 0.692 5.002 4.320 -0.016 0.000 0.212 37 A C 2.141 179.807 177.584 0.137 0.000 1.201 37 A CA 1.570 53.667 52.037 0.101 0.000 0.843 37 A CB -0.259 18.785 19.000 0.075 0.000 0.873 37 A HN 2.220 nan 8.150 nan 0.000 0.492 38 A N -1.165 121.761 122.820 0.177 0.000 2.370 38 A HA 0.575 4.885 4.320 -0.016 0.000 0.238 38 A C -0.111 177.693 177.584 0.368 0.000 1.289 38 A CA -0.076 52.112 52.037 0.251 0.000 0.885 38 A CB -0.484 18.652 19.000 0.227 0.000 0.961 38 A HN 0.567 nan 8.150 nan 0.000 0.499 39 F N -0.845 119.168 119.950 0.106 0.000 2.628 39 F HA 0.543 5.062 4.527 -0.014 0.000 0.309 39 F C -2.234 173.604 175.800 0.063 0.000 1.108 39 F CA -1.077 56.982 58.000 0.098 0.000 0.971 39 F CB 1.753 40.778 39.000 0.043 0.000 1.279 39 F HN -0.025 nan 8.300 nan 0.000 0.441 40 D N 3.015 122.894 120.400 -0.868 0.000 2.375 40 D HA 0.329 4.960 4.640 -0.016 0.000 0.241 40 D C 0.557 176.284 176.300 -0.955 0.000 1.361 40 D CA 0.079 53.696 54.000 -0.640 0.000 0.995 40 D CB 1.542 42.164 40.800 -0.296 0.000 1.312 40 D HN 0.724 nan 8.370 nan 0.000 0.576 41 G N 1.442 109.725 108.800 -0.863 0.000 2.534 41 G HA2 -0.141 3.809 3.960 -0.016 0.000 0.217 41 G HA3 -0.141 3.809 3.960 -0.016 0.000 0.217 41 G C 1.274 176.068 174.900 -0.176 0.000 1.128 41 G CA 0.876 45.729 45.100 -0.412 0.000 0.784 41 G HN 0.498 nan 8.290 nan 0.000 0.542 42 S N -1.311 114.293 115.700 -0.159 0.000 2.561 42 S HA -0.035 4.425 4.470 -0.016 0.000 0.225 42 S C 1.463 176.000 174.600 -0.104 0.000 0.977 42 S CA 0.628 58.774 58.200 -0.091 0.000 0.926 42 S CB -0.681 62.480 63.200 -0.065 0.000 0.769 42 S HN 0.740 nan 8.310 nan 0.000 0.533 43 c N 1.730 120.233 118.600 -0.162 0.000 4.185 43 c HA -0.200 4.360 4.570 -0.016 0.000 0.297 43 c C 1.555 175.579 174.090 -0.110 0.000 1.463 43 c CA 1.170 57.410 56.329 -0.147 0.000 2.032 43 c CB -2.888 39.557 42.510 -0.109 0.000 1.282 43 c HN 0.785 nan 8.230 nan 0.000 0.770 44 T N -0.777 113.718 114.554 -0.098 0.000 3.067 44 T HA -0.028 4.313 4.350 -0.016 0.000 0.261 44 T C 0.652 175.307 174.700 -0.075 0.000 1.110 44 T CA 1.218 63.276 62.100 -0.071 0.000 1.113 44 T CB -0.192 68.644 68.868 -0.053 0.000 0.917 44 T HN 0.727 nan 8.240 nan 0.000 0.499 45 N N 1.724 120.366 118.700 -0.097 0.000 2.527 45 N HA 0.170 4.900 4.740 -0.016 0.000 0.236 45 N C 0.101 175.526 175.510 -0.142 0.000 0.999 45 N CA -0.537 52.457 53.050 -0.093 0.000 0.935 45 N CB 0.603 39.044 38.487 -0.077 0.000 1.132 45 N HN -0.075 nan 8.380 nan 0.000 0.511 46 L N 2.772 123.910 121.223 -0.143 0.000 2.675 46 L HA 0.143 4.473 4.340 -0.016 0.000 0.238 46 L C 1.750 178.422 176.870 -0.331 0.000 1.155 46 L CA 0.640 55.346 54.840 -0.224 0.000 0.881 46 L CB -0.449 41.516 42.059 -0.156 0.000 1.008 46 L HN 0.434 nan 8.230 nan 0.000 0.443 47 R N -1.869 118.497 120.500 -0.222 0.000 2.334 47 R HA 0.303 4.633 4.340 -0.016 0.000 0.212 47 R C 0.475 176.681 176.300 -0.158 0.000 0.897 47 R CA 0.204 56.213 56.100 -0.152 0.000 1.056 47 R CB 0.331 30.634 30.300 0.006 0.000 1.046 47 R HN 0.182 nan 8.270 nan 0.000 0.513 48 L N -1.457 119.644 121.223 -0.204 0.000 2.687 48 L HA 0.389 4.719 4.340 -0.016 0.000 0.252 48 L C -0.399 176.370 176.870 -0.169 0.000 1.115 48 L CA -1.141 53.638 54.840 -0.102 0.000 0.893 48 L CB 0.201 42.234 42.059 -0.043 0.000 1.670 48 L HN -0.090 nan 8.230 nan 0.000 0.531 49 Y N -1.367 118.916 120.300 -0.029 0.000 2.323 49 Y HA 0.170 4.710 4.550 -0.016 0.000 0.331 49 Y C 0.530 176.350 175.900 -0.133 0.000 1.092 49 Y CA -0.340 57.788 58.100 0.046 0.000 1.150 49 Y CB 1.466 40.054 38.460 0.214 0.000 1.200 49 Y HN 0.433 nan 8.280 nan 0.000 0.472 50 c N 0.452 119.113 118.600 0.102 0.000 3.065 50 c HA 0.420 4.980 4.570 -0.016 0.000 0.285 50 c C 1.666 175.840 174.090 0.141 0.000 1.257 50 c CA 0.434 56.713 56.329 -0.084 0.000 1.691 50 c CB -0.221 42.252 42.510 -0.062 0.000 2.089 50 c HN 1.215 nan 8.230 nan 0.000 0.630 51 G N 0.461 109.487 108.800 0.377 0.000 2.481 51 G HA2 -0.027 3.923 3.960 -0.016 0.000 0.200 51 G HA3 -0.027 3.923 3.960 -0.016 0.000 0.200 51 G C 0.501 175.551 174.900 0.251 0.000 1.012 51 G CA -0.063 45.270 45.100 0.389 0.000 0.676 51 G HN 0.816 nan 8.290 nan 0.000 0.488 52 G N 1.322 110.252 108.800 0.217 0.000 2.238 52 G HA2 0.433 4.383 3.960 -0.016 0.000 0.234 52 G HA3 0.433 4.383 3.960 -0.016 0.000 0.234 52 G C 0.099 175.097 174.900 0.164 0.000 1.181 52 G CA 1.543 46.749 45.100 0.177 0.000 0.871 52 G HN 1.397 nan 8.290 nan 0.000 0.490 53 D N -0.182 120.290 120.400 0.120 0.000 2.759 53 D HA 0.206 4.837 4.640 -0.016 0.000 0.321 53 D C 0.548 176.935 176.300 0.144 0.000 1.267 53 D CA -0.916 53.105 54.000 0.035 0.000 0.933 53 D CB -0.016 40.803 40.800 0.031 0.000 1.431 53 D HN 0.297 nan 8.370 nan 0.000 0.504 54 W N 0.039 121.430 121.300 0.150 0.000 2.363 54 W HA -0.043 4.606 4.660 -0.018 0.000 0.296 54 W C 2.008 178.601 176.519 0.124 0.000 1.212 54 W CA 0.710 58.138 57.345 0.138 0.000 1.260 54 W CB -1.024 28.547 29.460 0.184 0.000 1.131 54 W HN 0.417 nan 8.180 nan 0.000 0.530 55 Q N -0.140 119.850 119.800 0.317 0.000 2.014 55 Q HA -0.148 4.183 4.340 -0.016 0.000 0.207 55 Q C 2.450 178.546 176.000 0.160 0.000 0.993 55 Q CA 2.327 58.251 55.803 0.202 0.000 0.850 55 Q CB -1.310 27.514 28.738 0.142 0.000 0.916 55 Q HN 0.347 nan 8.270 nan 0.000 0.417 56 G N 0.611 109.501 108.800 0.151 0.000 2.450 56 G HA2 -0.213 3.738 3.960 -0.016 0.000 0.220 56 G HA3 -0.213 3.738 3.960 -0.016 0.000 0.220 56 G C 1.596 176.607 174.900 0.185 0.000 1.130 56 G CA 0.751 45.913 45.100 0.103 0.000 0.760 56 G HN 0.323 nan 8.290 nan 0.000 0.557 57 I N 0.427 121.186 120.570 0.316 0.000 2.142 57 I HA -0.158 4.002 4.170 -0.016 0.000 0.240 57 I C 2.686 178.937 176.117 0.224 0.000 1.078 57 I CA 0.897 62.425 61.300 0.380 0.000 1.343 57 I CB -0.295 37.893 38.000 0.313 0.000 1.046 57 I HN 0.145 nan 8.210 nan 0.000 0.405 58 I N 1.007 121.676 120.570 0.165 0.000 2.118 58 I HA -0.376 3.784 4.170 -0.016 0.000 0.241 58 I C 2.157 178.304 176.117 0.050 0.000 1.070 58 I CA 2.012 63.368 61.300 0.094 0.000 1.327 58 I CB -0.714 37.346 38.000 0.100 0.000 1.034 58 I HN 0.324 nan 8.210 nan 0.000 0.405 59 N N 0.383 119.109 118.700 0.044 0.000 2.205 59 N HA -0.218 4.512 4.740 -0.016 0.000 0.186 59 N C 1.659 177.139 175.510 -0.050 0.000 1.015 59 N CA 0.936 53.979 53.050 -0.012 0.000 0.862 59 N CB -0.047 38.419 38.487 -0.036 0.000 0.986 59 N HN 0.183 nan 8.380 nan 0.000 0.429 60 K N 0.810 121.198 120.400 -0.019 0.000 2.366 60 K HA 0.160 4.470 4.320 -0.016 0.000 0.198 60 K C 1.537 178.165 176.600 0.047 0.000 1.044 60 K CA 0.283 56.564 56.287 -0.011 0.000 0.973 60 K CB 0.179 32.731 32.500 0.087 0.000 0.767 60 K HN 0.215 nan 8.250 nan 0.000 0.475 61 I N -0.242 120.327 120.570 -0.003 0.000 2.400 61 I HA -0.173 3.987 4.170 -0.016 0.000 0.248 61 I C 1.293 177.255 176.117 -0.258 0.000 1.109 61 I CA 0.867 62.089 61.300 -0.129 0.000 1.425 61 I CB -0.133 37.769 38.000 -0.164 0.000 1.094 61 I HN 0.201 nan 8.210 nan 0.000 0.425 62 N N 1.091 119.688 118.700 -0.172 0.000 2.142 62 N HA -0.205 4.525 4.740 -0.016 0.000 0.186 62 N C 1.205 176.678 175.510 -0.062 0.000 1.023 62 N CA 1.495 54.474 53.050 -0.118 0.000 0.852 62 N CB -0.070 38.400 38.487 -0.028 0.000 0.998 62 N HN 0.420 nan 8.380 nan 0.000 0.424 63 D N -0.419 119.950 120.400 -0.051 0.000 2.349 63 D HA 0.036 4.667 4.640 -0.016 0.000 0.224 63 D C 1.114 177.410 176.300 -0.006 0.000 1.029 63 D CA 0.648 54.629 54.000 -0.032 0.000 0.879 63 D CB -0.187 40.579 40.800 -0.057 0.000 0.906 63 D HN 0.305 nan 8.370 nan 0.000 0.528 64 G N -0.016 108.779 108.800 -0.008 0.000 2.141 64 G HA2 -0.396 3.554 3.960 -0.016 0.000 0.242 64 G HA3 -0.396 3.554 3.960 -0.016 0.000 0.242 64 G C 0.481 175.431 174.900 0.083 0.000 0.982 64 G CA 0.330 45.443 45.100 0.021 0.000 0.662 64 G HN 0.399 nan 8.290 nan 0.000 0.527 65 Y N 0.654 120.957 120.300 0.004 0.000 2.184 65 Y HA 0.223 4.758 4.550 -0.025 0.000 0.290 65 Y C 2.627 178.607 175.900 0.132 0.000 1.129 65 Y CA 2.249 60.413 58.100 0.105 0.000 1.144 65 Y CB -0.181 38.311 38.460 0.053 0.000 0.995 65 Y HN 0.279 nan 8.280 nan 0.000 0.513 66 L N -0.773 120.496 121.223 0.076 0.000 2.095 66 L HA -0.139 4.191 4.340 -0.016 0.000 0.204 66 L C 2.529 179.301 176.870 -0.164 0.000 1.080 66 L CA 1.656 56.432 54.840 -0.107 0.000 0.759 66 L CB -1.075 40.958 42.059 -0.042 0.000 0.914 66 L HN 0.315 nan 8.230 nan 0.000 0.439 67 T N -2.929 111.569 114.554 -0.094 0.000 2.821 67 T HA -0.086 4.254 4.350 -0.016 0.000 0.267 67 T C 1.870 176.514 174.700 -0.094 0.000 1.046 67 T CA 0.933 62.985 62.100 -0.080 0.000 1.139 67 T CB -0.908 67.937 68.868 -0.040 0.000 0.871 67 T HN 0.360 nan 8.240 nan 0.000 0.454 68 G N 0.460 109.221 108.800 -0.064 0.000 2.653 68 G HA2 0.044 3.994 3.960 -0.016 0.000 0.212 68 G HA3 0.044 3.994 3.960 -0.016 0.000 0.212 68 G C 1.257 176.031 174.900 -0.209 0.000 1.138 68 G CA 0.452 45.535 45.100 -0.029 0.000 0.782 68 G HN 0.558 nan 8.290 nan 0.000 0.535 69 M N -0.577 118.785 119.600 -0.396 0.000 2.308 69 M HA 0.305 4.775 4.480 -0.016 0.000 0.269 69 M C 1.596 177.675 176.300 -0.368 0.000 1.040 69 M CA 0.988 55.894 55.300 -0.658 0.000 1.024 69 M CB 0.713 32.812 32.600 -0.835 0.000 1.465 69 M HN 0.319 nan 8.290 nan 0.000 0.517 70 G N 1.625 110.285 108.800 -0.234 0.000 2.175 70 G HA2 -0.191 3.759 3.960 -0.016 0.000 0.244 70 G HA3 -0.191 3.759 3.960 -0.016 0.000 0.244 70 G C 0.066 174.887 174.900 -0.131 0.000 0.982 70 G CA -0.052 44.953 45.100 -0.159 0.000 0.641 70 G HN 0.394 nan 8.290 nan 0.000 0.527 71 I N 2.174 122.652 120.570 -0.154 0.000 2.775 71 I HA 0.212 4.372 4.170 -0.016 0.000 0.290 71 I C 1.716 177.800 176.117 -0.056 0.000 1.203 71 I CA 1.921 63.164 61.300 -0.096 0.000 1.433 71 I CB 0.738 38.638 38.000 -0.167 0.000 1.354 71 I HN 0.463 nan 8.210 nan 0.000 0.579 72 T N 1.708 116.251 114.554 -0.019 0.000 3.209 72 T HA 0.663 5.004 4.350 -0.016 0.000 0.295 72 T C -0.027 174.676 174.700 0.006 0.000 0.977 72 T CA -0.027 62.056 62.100 -0.028 0.000 0.922 72 T CB 0.218 69.040 68.868 -0.076 0.000 1.152 72 T HN 0.803 nan 8.240 nan 0.000 0.527 73 A N 1.604 124.477 122.820 0.088 0.000 2.577 73 A HA 0.706 5.016 4.320 -0.016 0.000 0.297 73 A C -1.257 176.473 177.584 0.243 0.000 1.060 73 A CA -1.156 50.987 52.037 0.177 0.000 0.697 73 A CB 0.904 20.061 19.000 0.261 0.000 1.281 73 A HN 0.855 nan 8.150 nan 0.000 0.402 74 I N -1.755 118.972 120.570 0.261 0.000 2.465 74 I HA 0.826 4.986 4.170 -0.016 0.000 0.291 74 I C -1.055 175.273 176.117 0.352 0.000 1.014 74 I CA -0.690 60.780 61.300 0.283 0.000 1.093 74 I CB 1.848 39.960 38.000 0.188 0.000 1.267 74 I HN 0.726 nan 8.210 nan 0.000 0.431 75 W N 9.169 130.546 121.300 0.130 0.000 2.361 75 W HA 0.751 5.403 4.660 -0.014 0.000 0.314 75 W C -1.219 175.306 176.519 0.011 0.000 1.041 75 W CA -1.826 55.574 57.345 0.092 0.000 1.241 75 W CB 0.924 30.464 29.460 0.134 0.000 1.279 75 W HN 0.637 nan 8.180 nan 0.000 0.436 76 I N 2.611 123.309 120.570 0.214 0.000 2.957 76 I HA 0.657 4.818 4.170 -0.016 0.000 0.310 76 I C 0.267 176.318 176.117 -0.110 0.000 1.063 76 I CA -1.125 60.151 61.300 -0.040 0.000 1.033 76 I CB 1.711 39.741 38.000 0.051 0.000 1.230 76 I HN 0.252 nan 8.210 nan 0.000 0.447 77 S N 1.761 117.286 115.700 -0.292 0.000 2.568 77 S HA 0.010 4.470 4.470 -0.016 0.000 0.282 77 S C -0.002 174.571 174.600 -0.045 0.000 1.338 77 S CA -0.456 57.566 58.200 -0.295 0.000 1.045 77 S CB 0.424 63.381 63.200 -0.405 0.000 0.873 77 S HN 0.747 nan 8.310 nan 0.000 0.516 78 Q N 2.846 122.639 119.800 -0.012 0.000 2.368 78 Q HA -0.057 4.273 4.340 -0.016 0.000 0.331 78 Q C -1.383 174.684 176.000 0.112 0.000 1.086 78 Q CA -0.738 55.073 55.803 0.014 0.000 1.031 78 Q CB 0.554 29.290 28.738 -0.003 0.000 1.125 78 Q HN 0.433 nan 8.270 nan 0.000 0.389 79 P HA -0.038 nan 4.420 nan 0.000 0.235 79 P C 0.385 177.777 177.300 0.153 0.000 1.177 79 P CA 0.382 63.587 63.100 0.176 0.000 0.785 79 P CB -0.099 31.357 31.700 -0.406 0.000 0.885 80 V N -1.100 118.819 119.914 0.008 0.000 3.139 80 V HA 0.134 4.244 4.120 -0.016 0.000 0.307 80 V C 0.471 176.561 176.094 -0.007 0.000 1.095 80 V CA -0.735 61.645 62.300 0.133 0.000 1.160 80 V CB -0.098 31.769 31.823 0.073 0.000 1.003 80 V HN 0.007 nan 8.190 nan 0.000 0.489 81 E N 2.945 123.137 120.200 -0.012 0.000 2.376 81 E HA 0.148 4.488 4.350 -0.016 0.000 0.266 81 E C -0.119 176.341 176.600 -0.233 0.000 1.009 81 E CA -0.097 56.229 56.400 -0.122 0.000 0.902 81 E CB 0.326 29.988 29.700 -0.063 0.000 0.972 81 E HN 0.890 nan 8.360 nan 0.000 0.439 82 N N 3.141 121.643 118.700 -0.330 0.000 2.485 82 N HA 0.298 5.029 4.740 -0.016 0.000 0.280 82 N C 0.106 175.343 175.510 -0.454 0.000 1.205 82 N CA -0.702 52.169 53.050 -0.298 0.000 0.959 82 N CB 1.038 39.375 38.487 -0.249 0.000 1.206 82 N HN 0.481 nan 8.380 nan 0.000 0.545 83 I N -0.967 119.464 120.570 -0.231 0.000 2.754 83 I HA 0.016 4.177 4.170 -0.016 0.000 0.285 83 I C -0.060 175.865 176.117 -0.321 0.000 1.166 83 I CA -0.068 61.093 61.300 -0.231 0.000 1.417 83 I CB 0.268 38.228 38.000 -0.066 0.000 1.382 83 I HN 0.577 nan 8.210 nan 0.000 0.588 84 Y N 2.556 122.862 120.300 0.009 0.000 2.466 84 Y HA 0.111 4.651 4.550 -0.016 0.000 0.272 84 Y C 1.499 177.420 175.900 0.036 0.000 1.169 84 Y CA -0.172 57.934 58.100 0.010 0.000 1.285 84 Y CB -0.419 38.018 38.460 -0.039 0.000 1.078 84 Y HN 0.648 nan 8.280 nan 0.000 0.523 85 S N 0.060 115.830 115.700 0.117 0.000 2.585 85 S HA 0.338 4.798 4.470 -0.016 0.000 0.273 85 S C -0.179 174.486 174.600 0.108 0.000 1.339 85 S CA -0.790 57.451 58.200 0.069 0.000 1.028 85 S CB 1.671 64.846 63.200 -0.042 0.000 0.906 85 S HN -0.054 nan 8.310 nan 0.000 0.528 86 V N 3.298 123.263 119.914 0.084 0.000 2.293 86 V HA 0.305 4.415 4.120 -0.016 0.000 0.275 86 V C 0.033 176.153 176.094 0.044 0.000 1.021 86 V CA -0.535 61.830 62.300 0.109 0.000 0.815 86 V CB 0.091 31.978 31.823 0.107 0.000 1.025 86 V HN 0.784 nan 8.190 nan 0.000 0.448 87 I N 3.840 124.428 120.570 0.030 0.000 2.519 87 I HA 0.242 4.402 4.170 -0.016 0.000 0.287 87 I C 0.367 176.414 176.117 -0.116 0.000 1.047 87 I CA -0.034 61.196 61.300 -0.117 0.000 1.381 87 I CB 0.942 38.775 38.000 -0.279 0.000 1.417 87 I HN 0.606 nan 8.210 nan 0.000 0.540 88 N N 5.042 123.650 118.700 -0.154 0.000 2.511 88 N HA 0.273 5.003 4.740 -0.016 0.000 0.249 88 N C -1.609 173.834 175.510 -0.112 0.000 0.971 88 N CA -0.389 52.617 53.050 -0.072 0.000 0.938 88 N CB 0.519 39.001 38.487 -0.008 0.000 1.131 88 N HN 0.261 nan 8.380 nan 0.000 0.505 89 Y N 2.389 122.749 120.300 0.100 0.000 2.342 89 Y HA 0.264 4.803 4.550 -0.017 0.000 0.338 89 Y C 0.452 176.376 175.900 0.041 0.000 0.965 89 Y CA -0.961 57.180 58.100 0.068 0.000 1.159 89 Y CB 1.247 39.754 38.460 0.079 0.000 1.157 89 Y HN 0.600 nan 8.280 nan 0.000 0.486 90 S N 2.334 118.140 115.700 0.176 0.000 3.447 90 S HA -0.163 4.298 4.470 -0.016 0.000 0.371 90 S C 1.104 175.749 174.600 0.076 0.000 0.951 90 S CA 0.841 59.101 58.200 0.099 0.000 1.269 90 S CB -1.611 61.639 63.200 0.083 0.000 0.919 90 S HN 1.640 nan 8.310 nan 0.000 0.516 91 G N -1.479 107.358 108.800 0.063 0.000 2.221 91 G HA2 -0.131 3.819 3.960 -0.016 0.000 0.265 91 G HA3 -0.131 3.819 3.960 -0.016 0.000 0.265 91 G C -0.051 174.883 174.900 0.056 0.000 1.041 91 G CA -0.011 45.118 45.100 0.048 0.000 0.807 91 G HN 1.669 nan 8.290 nan 0.000 0.502 92 V N -0.916 119.046 119.914 0.079 0.000 2.711 92 V HA 0.477 4.587 4.120 -0.016 0.000 0.304 92 V C -0.322 175.833 176.094 0.102 0.000 1.097 92 V CA -1.805 60.547 62.300 0.087 0.000 0.906 92 V CB 1.894 33.779 31.823 0.103 0.000 1.015 92 V HN 0.217 nan 8.190 nan 0.000 0.427 93 N N 3.066 121.816 118.700 0.084 0.000 2.530 93 N HA 0.439 5.169 4.740 -0.016 0.000 0.277 93 N C -0.680 174.910 175.510 0.135 0.000 1.168 93 N CA -0.026 53.078 53.050 0.091 0.000 0.979 93 N CB 1.175 39.706 38.487 0.073 0.000 1.141 93 N HN 0.809 nan 8.380 nan 0.000 0.459 94 N N -0.109 118.696 118.700 0.176 0.000 2.310 94 N HA 0.362 5.092 4.740 -0.016 0.000 0.292 94 N C -1.048 174.642 175.510 0.299 0.000 1.049 94 N CA -0.346 52.868 53.050 0.275 0.000 0.849 94 N CB 1.833 40.609 38.487 0.481 0.000 1.532 94 N HN 0.389 nan 8.380 nan 0.000 0.479 95 T N -0.180 114.498 114.554 0.206 0.000 2.905 95 T HA 0.471 4.811 4.350 -0.016 0.000 0.283 95 T C 0.541 175.108 174.700 -0.222 0.000 1.031 95 T CA -0.561 61.636 62.100 0.162 0.000 1.002 95 T CB 1.616 70.609 68.868 0.208 0.000 1.200 95 T HN 0.463 nan 8.240 nan 0.000 0.560 96 A N 0.257 122.884 122.820 -0.323 0.000 2.797 96 A HA 0.297 4.607 4.320 -0.016 0.000 0.287 96 A C 1.276 178.177 177.584 -1.139 0.000 1.369 96 A CA -0.488 50.980 52.037 -0.949 0.000 0.968 96 A CB -1.452 17.317 19.000 -0.386 0.000 1.069 96 A HN 0.920 nan 8.150 nan 0.000 0.571 97 Y N 0.045 119.626 120.300 -1.198 0.000 2.283 97 Y HA -0.349 4.192 4.550 -0.016 0.000 0.285 97 Y C 1.693 177.316 175.900 -0.462 0.000 1.176 97 Y CA 1.952 59.382 58.100 -1.117 0.000 1.229 97 Y CB -1.083 36.881 38.460 -0.827 0.000 0.975 97 Y HN 0.673 nan 8.280 nan 0.000 0.537 98 H N -1.548 116.773 119.070 -1.248 0.000 2.547 98 H HA 0.388 4.934 4.556 -0.017 0.000 0.266 98 H C 1.916 176.979 175.328 -0.441 0.000 0.988 98 H CA -0.065 55.490 56.048 -0.820 0.000 1.147 98 H CB -0.351 28.902 29.762 -0.848 0.000 1.365 98 H HN 0.403 nan 8.280 nan 0.000 0.589 99 G N 0.702 109.243 108.800 -0.431 0.000 2.168 99 G HA2 -0.323 3.627 3.960 -0.016 0.000 0.263 99 G HA3 -0.323 3.627 3.960 -0.016 0.000 0.263 99 G C 0.815 175.667 174.900 -0.081 0.000 0.977 99 G CA 0.589 45.593 45.100 -0.160 0.000 0.659 99 G HN 0.498 nan 8.290 nan 0.000 0.533 100 L N -1.082 120.167 121.223 0.042 0.000 2.592 100 L HA 0.271 4.601 4.340 -0.016 0.000 0.227 100 L C 0.809 177.923 176.870 0.406 0.000 1.127 100 L CA -0.266 54.700 54.840 0.209 0.000 0.884 100 L CB 0.050 42.261 42.059 0.253 0.000 1.065 100 L HN 0.260 nan 8.230 nan 0.000 0.457 101 W N 1.725 123.059 121.300 0.057 0.000 1.818 101 W HA 0.462 5.114 4.660 -0.014 0.000 0.334 101 W C 0.541 176.991 176.519 -0.115 0.000 0.753 101 W CA -1.918 55.438 57.345 0.020 0.000 1.826 101 W CB -0.839 28.610 29.460 -0.019 0.000 2.001 101 W HN -0.081 nan 8.180 nan 0.000 0.324 102 A N 1.756 124.585 122.820 0.016 0.000 2.540 102 A HA 0.170 4.480 4.320 -0.016 0.000 0.239 102 A C 1.519 178.987 177.584 -0.192 0.000 1.061 102 A CA 0.535 52.380 52.037 -0.320 0.000 0.758 102 A CB 0.507 18.947 19.000 -0.932 0.000 0.991 102 A HN 0.633 nan 8.150 nan 0.000 0.502 103 R N 0.388 120.769 120.500 -0.199 0.000 2.215 103 R HA 0.111 4.441 4.340 -0.016 0.000 0.190 103 R C -0.828 175.528 176.300 0.093 0.000 0.968 103 R CA 0.456 56.554 56.100 -0.003 0.000 1.122 103 R CB 0.561 30.828 30.300 -0.054 0.000 1.151 103 R HN 0.736 nan 8.270 nan 0.000 0.582 104 D N -0.482 119.904 120.400 -0.022 0.000 2.788 104 D HA 0.151 4.781 4.640 -0.016 0.000 0.247 104 D C -0.630 175.724 176.300 0.089 0.000 1.236 104 D CA -0.521 53.573 54.000 0.156 0.000 0.898 104 D CB 1.321 42.214 40.800 0.155 0.000 1.401 104 D HN 0.063 nan 8.370 nan 0.000 0.549 105 F N 1.838 121.981 119.950 0.321 0.000 2.797 105 F HA 0.189 4.706 4.527 -0.016 0.000 0.302 105 F C 1.939 177.978 175.800 0.399 0.000 1.130 105 F CA 0.359 58.561 58.000 0.336 0.000 1.387 105 F CB 0.456 39.605 39.000 0.250 0.000 1.107 105 F HN 0.137 nan 8.300 nan 0.000 0.577 106 K N -0.214 120.417 120.400 0.385 0.000 2.374 106 K HA 0.181 4.491 4.320 -0.016 0.000 0.202 106 K C 0.207 176.865 176.600 0.096 0.000 1.040 106 K CA 0.134 56.522 56.287 0.168 0.000 1.085 106 K CB 0.646 33.221 32.500 0.126 0.000 0.873 106 K HN 0.131 nan 8.250 nan 0.000 0.539 107 K N 0.851 121.370 120.400 0.198 0.000 2.352 107 K HA 0.263 4.574 4.320 -0.016 0.000 0.240 107 K C 0.003 176.762 176.600 0.264 0.000 1.017 107 K CA -0.725 55.657 56.287 0.157 0.000 0.851 107 K CB 1.744 34.311 32.500 0.112 0.000 1.261 107 K HN -0.066 nan 8.250 nan 0.000 0.451 108 T N -1.762 112.938 114.554 0.244 0.000 2.862 108 T HA 0.199 4.539 4.350 -0.016 0.000 0.276 108 T C 0.051 174.830 174.700 0.131 0.000 0.974 108 T CA -0.827 61.465 62.100 0.320 0.000 0.966 108 T CB 0.835 69.961 68.868 0.430 0.000 1.072 108 T HN 0.479 nan 8.240 nan 0.000 0.538 109 N N 1.300 120.017 118.700 0.030 0.000 2.439 109 N HA 0.296 5.027 4.740 -0.016 0.000 0.249 109 N C -2.062 173.288 175.510 -0.266 0.000 1.003 109 N CA -2.333 50.583 53.050 -0.224 0.000 0.942 109 N CB 1.322 39.492 38.487 -0.530 0.000 1.115 109 N HN 0.239 nan 8.380 nan 0.000 0.505 110 P HA -0.136 nan 4.420 nan 0.000 0.216 110 P C 0.882 178.060 177.300 -0.203 0.000 1.150 110 P CA 1.544 64.577 63.100 -0.111 0.000 0.843 110 P CB 0.241 31.919 31.700 -0.037 0.000 0.787 111 A N -1.870 120.764 122.820 -0.309 0.000 1.978 111 A HA -0.229 4.081 4.320 -0.016 0.000 0.220 111 A C 1.857 179.335 177.584 -0.178 0.000 1.170 111 A CA 1.558 53.407 52.037 -0.314 0.000 0.636 111 A CB -1.598 17.086 19.000 -0.528 0.000 0.810 111 A HN 0.131 nan 8.150 nan 0.000 0.448 112 Y N -0.958 119.077 120.300 -0.441 0.000 2.201 112 Y HA 0.383 4.923 4.550 -0.016 0.000 0.292 112 Y C 1.640 177.009 175.900 -0.884 0.000 1.119 112 Y CA 0.229 57.796 58.100 -0.889 0.000 1.127 112 Y CB -0.877 36.677 38.460 -1.510 0.000 1.019 112 Y HN 0.435 nan 8.280 nan 0.000 0.514 113 G N -1.304 107.164 108.800 -0.552 0.000 2.324 113 G HA2 0.338 4.288 3.960 -0.016 0.000 0.293 113 G HA3 0.338 4.288 3.960 -0.016 0.000 0.293 113 G C -0.764 174.271 174.900 0.226 0.000 1.297 113 G CA -0.448 44.627 45.100 -0.041 0.000 0.853 113 G HN 0.189 nan 8.290 nan 0.000 0.535 114 T N -1.660 113.095 114.554 0.336 0.000 2.810 114 T HA 0.472 4.813 4.350 -0.016 0.000 0.277 114 T C 1.559 176.514 174.700 0.425 0.000 0.973 114 T CA -0.358 61.923 62.100 0.302 0.000 0.949 114 T CB 0.987 69.976 68.868 0.202 0.000 1.075 114 T HN 0.297 nan 8.240 nan 0.000 0.537 115 M N 0.105 119.881 119.600 0.293 0.000 2.296 115 M HA -0.043 4.427 4.480 -0.016 0.000 0.265 115 M C 2.337 178.793 176.300 0.261 0.000 1.064 115 M CA 1.283 56.749 55.300 0.277 0.000 1.109 115 M CB -1.266 31.427 32.600 0.156 0.000 1.396 115 M HN 0.670 nan 8.290 nan 0.000 0.430 116 Q N 0.473 120.400 119.800 0.212 0.000 2.046 116 Q HA -0.156 4.174 4.340 -0.016 0.000 0.200 116 Q C 1.436 177.551 176.000 0.191 0.000 0.975 116 Q CA 1.555 57.455 55.803 0.162 0.000 0.836 116 Q CB -0.260 28.554 28.738 0.127 0.000 0.896 116 Q HN 0.482 nan 8.270 nan 0.000 0.428 117 D N -0.353 120.220 120.400 0.289 0.000 2.178 117 D HA -0.100 4.530 4.640 -0.016 0.000 0.202 117 D C 1.547 178.035 176.300 0.313 0.000 0.974 117 D CA 0.483 54.690 54.000 0.344 0.000 0.841 117 D CB -0.344 40.750 40.800 0.490 0.000 0.953 117 D HN 0.170 nan 8.370 nan 0.000 0.478 118 F N 1.631 121.662 119.950 0.135 0.000 2.060 118 F HA -0.154 4.363 4.527 -0.017 0.000 0.295 118 F C 1.999 177.703 175.800 -0.160 0.000 1.120 118 F CA 1.315 59.158 58.000 -0.261 0.000 1.205 118 F CB 0.163 39.028 39.000 -0.225 0.000 0.986 118 F HN -0.204 nan 8.300 nan 0.000 0.470 119 K N -0.036 120.299 120.400 -0.108 0.000 2.147 119 K HA -0.220 4.090 4.320 -0.016 0.000 0.205 119 K C 1.810 178.295 176.600 -0.192 0.000 1.049 119 K CA 1.267 57.438 56.287 -0.194 0.000 0.936 119 K CB -0.449 32.034 32.500 -0.029 0.000 0.722 119 K HN 0.228 nan 8.250 nan 0.000 0.446 120 N N 1.546 120.194 118.700 -0.087 0.000 2.166 120 N HA -0.153 4.577 4.740 -0.016 0.000 0.186 120 N C 1.555 177.009 175.510 -0.093 0.000 1.019 120 N CA 0.840 53.864 53.050 -0.044 0.000 0.856 120 N CB -0.095 38.417 38.487 0.043 0.000 0.993 120 N HN 0.131 nan 8.380 nan 0.000 0.426 121 L N 0.263 121.380 121.223 -0.177 0.000 2.044 121 L HA -0.085 4.245 4.340 -0.016 0.000 0.205 121 L C 1.860 178.555 176.870 -0.291 0.000 1.075 121 L CA 1.135 55.850 54.840 -0.208 0.000 0.747 121 L CB -0.728 41.138 42.059 -0.322 0.000 0.903 121 L HN 0.049 nan 8.230 nan 0.000 0.435 122 I N 0.952 121.225 120.570 -0.496 0.000 2.076 122 I HA -0.323 3.837 4.170 -0.016 0.000 0.237 122 I C 2.389 178.200 176.117 -0.510 0.000 1.059 122 I CA 1.592 62.550 61.300 -0.569 0.000 1.317 122 I CB -1.558 36.046 38.000 -0.661 0.000 1.037 122 I HN 0.262 nan 8.210 nan 0.000 0.398 123 D N 0.535 120.722 120.400 -0.356 0.000 2.116 123 D HA -0.169 4.461 4.640 -0.016 0.000 0.193 123 D C 2.177 178.431 176.300 -0.078 0.000 0.998 123 D CA 1.872 55.751 54.000 -0.202 0.000 0.836 123 D CB -0.491 40.236 40.800 -0.123 0.000 0.951 123 D HN 0.284 nan 8.370 nan 0.000 0.449 124 T N 0.042 114.573 114.554 -0.038 0.000 2.867 124 T HA -0.048 4.292 4.350 -0.016 0.000 0.268 124 T C 1.908 176.725 174.700 0.194 0.000 1.057 124 T CA 1.222 63.373 62.100 0.085 0.000 1.136 124 T CB -0.218 68.700 68.868 0.084 0.000 0.874 124 T HN 0.217 nan 8.240 nan 0.000 0.466 125 A N 1.293 124.171 122.820 0.097 0.000 1.840 125 A HA -0.113 4.198 4.320 -0.016 0.000 0.214 125 A C 1.933 179.658 177.584 0.235 0.000 1.198 125 A CA 1.354 53.487 52.037 0.159 0.000 0.608 125 A CB -1.016 18.050 19.000 0.111 0.000 0.839 125 A HN 0.643 nan 8.150 nan 0.000 0.443 126 H N -0.557 118.520 119.070 0.012 0.000 2.353 126 H HA -0.148 4.398 4.556 -0.017 0.000 0.298 126 H C 2.389 177.698 175.328 -0.032 0.000 1.103 126 H CA 0.796 56.834 56.048 -0.015 0.000 1.293 126 H CB -0.034 29.707 29.762 -0.034 0.000 1.372 126 H HN 0.560 nan 8.280 nan 0.000 0.501 127 A N 0.650 123.516 122.820 0.077 0.000 2.125 127 A HA -0.175 4.136 4.320 -0.016 0.000 0.219 127 A C 1.006 178.425 177.584 -0.274 0.000 1.156 127 A CA 1.448 53.417 52.037 -0.113 0.000 0.671 127 A CB -0.409 18.483 19.000 -0.179 0.000 0.794 127 A HN 0.499 nan 8.150 nan 0.000 0.459 128 H N -0.976 118.107 119.070 0.022 0.000 2.512 128 H HA 0.246 4.793 4.556 -0.015 0.000 0.276 128 H C 0.012 175.334 175.328 -0.010 0.000 1.126 128 H CA -0.264 55.787 56.048 0.005 0.000 1.060 128 H CB 0.023 29.791 29.762 0.011 0.000 1.646 128 H HN 0.429 nan 8.280 nan 0.000 0.571 129 N N 1.086 119.815 118.700 0.048 0.000 2.740 129 N HA -0.180 4.550 4.740 -0.016 0.000 0.248 129 N C -0.902 174.598 175.510 -0.017 0.000 1.062 129 N CA 0.670 53.710 53.050 -0.016 0.000 0.704 129 N CB -0.994 37.468 38.487 -0.041 0.000 0.968 129 N HN 0.440 nan 8.380 nan 0.000 0.547 130 I N 0.975 121.564 120.570 0.032 0.000 2.418 130 I HA 0.220 4.380 4.170 -0.016 0.000 0.287 130 I C 0.443 176.595 176.117 0.060 0.000 1.008 130 I CA -0.598 60.727 61.300 0.041 0.000 1.104 130 I CB 1.624 39.674 38.000 0.082 0.000 1.264 130 I HN -0.159 nan 8.210 nan 0.000 0.438 131 K N 4.557 124.965 120.400 0.013 0.000 2.126 131 K HA 0.590 4.900 4.320 -0.016 0.000 0.257 131 K C -0.902 175.824 176.600 0.211 0.000 1.007 131 K CA -0.611 55.708 56.287 0.053 0.000 0.928 131 K CB 1.692 34.162 32.500 -0.050 0.000 1.013 131 K HN 0.258 nan 8.250 nan 0.000 0.473 132 V N 3.792 123.868 119.914 0.270 0.000 2.444 132 V HA 0.380 4.491 4.120 -0.016 0.000 0.294 132 V C -0.329 175.922 176.094 0.262 0.000 1.022 132 V CA -0.820 61.622 62.300 0.237 0.000 0.850 132 V CB 1.173 33.075 31.823 0.132 0.000 0.992 132 V HN 0.686 nan 8.190 nan 0.000 0.426 133 I N 6.134 126.862 120.570 0.263 0.000 2.603 133 I HA 0.852 5.012 4.170 -0.016 0.000 0.300 133 I C -0.723 175.516 176.117 0.202 0.000 1.017 133 I CA -0.710 60.708 61.300 0.197 0.000 1.098 133 I CB 1.935 40.013 38.000 0.130 0.000 1.279 133 I HN 0.716 nan 8.210 nan 0.000 0.437 134 I N 1.584 122.227 120.570 0.121 0.000 2.934 134 I HA 0.595 4.755 4.170 -0.016 0.000 0.306 134 I C -1.016 175.159 176.117 0.096 0.000 1.110 134 I CA -0.799 60.578 61.300 0.130 0.000 1.019 134 I CB 1.912 39.925 38.000 0.023 0.000 1.227 134 I HN 0.429 nan 8.210 nan 0.000 0.434 135 D N 2.659 123.149 120.400 0.149 0.000 2.341 135 D HA 0.371 5.002 4.640 -0.016 0.000 0.245 135 D C -1.473 174.938 176.300 0.185 0.000 1.106 135 D CA 0.599 54.691 54.000 0.153 0.000 0.905 135 D CB 1.761 42.635 40.800 0.124 0.000 1.202 135 D HN 0.503 nan 8.370 nan 0.000 0.426 136 F N 0.539 120.493 119.950 0.008 0.000 2.585 136 F HA 0.441 4.958 4.527 -0.017 0.000 0.319 136 F C -1.013 174.844 175.800 0.094 0.000 1.165 136 F CA -0.675 57.358 58.000 0.057 0.000 0.949 136 F CB 1.429 40.470 39.000 0.069 0.000 1.218 136 F HN 0.308 nan 8.300 nan 0.000 0.453 137 A N 7.460 130.128 122.820 -0.253 0.000 2.786 137 A HA 0.477 4.787 4.320 -0.016 0.000 0.346 137 A C -2.441 174.934 177.584 -0.349 0.000 1.265 137 A CA -1.227 50.685 52.037 -0.208 0.000 0.858 137 A CB -0.114 18.793 19.000 -0.156 0.000 1.118 137 A HN 0.473 nan 8.150 nan 0.000 0.482 138 P HA 0.027 nan 4.420 nan 0.000 0.257 138 P C 0.508 177.693 177.300 -0.192 0.000 1.325 138 P CA 0.324 63.152 63.100 -0.454 0.000 0.850 138 P CB 0.183 31.636 31.700 -0.411 0.000 1.324 139 N N 0.913 119.528 118.700 -0.142 0.000 2.333 139 N HA -0.095 4.635 4.740 -0.016 0.000 0.178 139 N C 0.502 176.045 175.510 0.055 0.000 1.018 139 N CA 0.637 53.702 53.050 0.026 0.000 0.882 139 N CB -0.147 38.430 38.487 0.150 0.000 0.984 139 N HN 0.286 nan 8.380 nan 0.000 0.434 140 H N -4.575 114.530 119.070 0.058 0.000 2.966 140 H HA 0.512 5.058 4.556 -0.017 0.000 0.330 140 H C 0.403 175.828 175.328 0.162 0.000 1.292 140 H CA -0.368 55.722 56.048 0.071 0.000 1.127 140 H CB 0.880 30.672 29.762 0.051 0.000 1.863 140 H HN -0.049 nan 8.280 nan 0.000 0.543 141 T N -1.375 113.371 114.554 0.319 0.000 3.507 141 T HA 0.441 4.781 4.350 -0.016 0.000 0.197 141 T C 0.300 175.135 174.700 0.226 0.000 0.847 141 T CA 0.474 62.726 62.100 0.253 0.000 1.531 141 T CB -0.665 68.363 68.868 0.267 0.000 1.834 141 T HN 0.810 nan 8.240 nan 0.000 0.433 142 S N 0.901 116.618 115.700 0.028 0.000 2.685 142 S HA 0.648 5.108 4.470 -0.016 0.000 0.282 142 S C -3.307 171.062 174.600 -0.385 0.000 1.159 142 S CA -1.680 56.396 58.200 -0.207 0.000 0.833 142 S CB 1.147 64.214 63.200 -0.223 0.000 1.151 142 S HN 0.182 nan 8.310 nan 0.000 0.485 143 P HA 0.388 nan 4.420 nan 0.000 0.261 143 P C -1.063 176.027 177.300 -0.350 0.000 1.203 143 P CA 0.539 63.380 63.100 -0.433 0.000 0.767 143 P CB 0.090 31.454 31.700 -0.559 0.000 0.785 144 A N 2.865 125.581 122.820 -0.174 0.000 2.498 144 A HA 0.743 5.053 4.320 -0.016 0.000 0.298 144 A C -0.797 176.896 177.584 0.181 0.000 1.075 144 A CA -0.520 51.470 52.037 -0.078 0.000 0.714 144 A CB 1.723 20.527 19.000 -0.327 0.000 1.299 144 A HN 0.313 nan 8.150 nan 0.000 0.407 145 S N -0.132 115.768 115.700 0.333 0.000 2.561 145 S HA 0.487 4.947 4.470 -0.016 0.000 0.303 145 S C 0.831 175.569 174.600 0.230 0.000 1.110 145 S CA -0.012 58.358 58.200 0.283 0.000 1.034 145 S CB 1.385 64.694 63.200 0.182 0.000 1.010 145 S HN 0.769 nan 8.310 nan 0.000 0.482 146 S N 3.394 119.176 115.700 0.137 0.000 2.383 146 S HA -0.092 4.368 4.470 -0.016 0.000 0.227 146 S C 1.156 175.711 174.600 -0.074 0.000 1.026 146 S CA 1.039 59.171 58.200 -0.114 0.000 0.981 146 S CB -0.234 62.805 63.200 -0.268 0.000 0.818 146 S HN 0.783 nan 8.310 nan 0.000 0.472 147 D N 0.968 121.346 120.400 -0.036 0.000 2.149 147 D HA -0.011 4.619 4.640 -0.016 0.000 0.201 147 D C 0.351 176.640 176.300 -0.018 0.000 0.972 147 D CA 0.975 54.952 54.000 -0.039 0.000 0.835 147 D CB -0.125 40.651 40.800 -0.040 0.000 0.966 147 D HN 0.265 nan 8.370 nan 0.000 0.476 148 D N 0.183 120.592 120.400 0.015 0.000 2.458 148 D HA 0.112 4.742 4.640 -0.016 0.000 0.258 148 D C -1.956 174.392 176.300 0.080 0.000 1.134 148 D CA -2.141 51.881 54.000 0.036 0.000 0.915 148 D CB 1.446 42.264 40.800 0.030 0.000 1.028 148 D HN -0.074 nan 8.370 nan 0.000 0.508 149 P HA -0.016 nan 4.420 nan 0.000 0.244 149 P C 0.295 177.617 177.300 0.036 0.000 1.211 149 P CA 0.294 63.414 63.100 0.034 0.000 0.760 149 P CB 0.337 32.038 31.700 0.002 0.000 0.961 150 S N -1.230 114.505 115.700 0.060 0.000 2.539 150 S HA 0.144 4.604 4.470 -0.016 0.000 0.221 150 S C 0.271 174.921 174.600 0.083 0.000 0.987 150 S CA -0.557 57.673 58.200 0.050 0.000 0.929 150 S CB -0.454 62.772 63.200 0.042 0.000 0.832 150 S HN 0.189 nan 8.310 nan 0.000 0.492 151 F N 3.172 123.095 119.950 -0.045 0.000 2.427 151 F HA 0.548 5.064 4.527 -0.017 0.000 0.352 151 F C 0.967 176.716 175.800 -0.085 0.000 1.100 151 F CA -0.090 57.868 58.000 -0.069 0.000 1.191 151 F CB 0.208 39.168 39.000 -0.067 0.000 1.128 151 F HN 0.316 nan 8.300 nan 0.000 0.533 152 A N 4.686 127.010 122.820 -0.828 0.000 5.481 152 A HA -0.360 3.951 4.320 -0.016 0.000 0.318 152 A C 0.815 178.193 177.584 -0.342 0.000 1.837 152 A CA 1.566 53.171 52.037 -0.720 0.000 0.717 152 A CB -1.328 17.015 19.000 -1.094 0.000 1.349 152 A HN 0.847 nan 8.150 nan 0.000 0.388 153 E N 1.042 121.072 120.200 -0.283 0.000 2.685 153 E HA 0.239 4.579 4.350 -0.016 0.000 0.208 153 E C 0.292 176.836 176.600 -0.092 0.000 0.996 153 E CA 0.331 56.662 56.400 -0.115 0.000 1.054 153 E CB -0.060 29.619 29.700 -0.034 0.000 1.075 153 E HN 0.647 nan 8.360 nan 0.000 0.460 154 N N 1.073 119.688 118.700 -0.141 0.000 2.721 154 N HA -0.207 4.523 4.740 -0.016 0.000 0.249 154 N C 0.550 175.991 175.510 -0.115 0.000 1.072 154 N CA 0.407 53.408 53.050 -0.083 0.000 0.710 154 N CB -0.822 37.649 38.487 -0.027 0.000 0.993 154 N HN 0.567 nan 8.380 nan 0.000 0.547 155 G N 0.712 109.406 108.800 -0.176 0.000 2.441 155 G HA2 -0.348 3.603 3.960 -0.016 0.000 0.298 155 G HA3 -0.348 3.603 3.960 -0.016 0.000 0.298 155 G C 0.245 175.135 174.900 -0.017 0.000 0.949 155 G CA 0.879 45.882 45.100 -0.163 0.000 1.072 155 G HN 0.638 nan 8.290 nan 0.000 0.512 156 R N -1.128 119.392 120.500 0.033 0.000 2.442 156 R HA 0.399 4.729 4.340 -0.016 0.000 0.291 156 R C 0.194 176.548 176.300 0.091 0.000 1.069 156 R CA -0.613 55.513 56.100 0.043 0.000 1.022 156 R CB 0.643 30.925 30.300 -0.031 0.000 0.976 156 R HN 0.242 nan 8.270 nan 0.000 0.443 157 L N 4.643 125.884 121.223 0.029 0.000 2.287 157 L HA 0.351 4.682 4.340 -0.016 0.000 0.287 157 L C -1.389 175.386 176.870 -0.158 0.000 1.022 157 L CA -0.291 54.572 54.840 0.039 0.000 0.814 157 L CB 0.733 42.792 42.059 -0.001 0.000 1.217 157 L HN 0.446 nan 8.230 nan 0.000 0.420 158 Y N 2.227 122.552 120.300 0.040 0.000 2.534 158 Y HA 0.508 5.048 4.550 -0.016 0.000 0.329 158 Y C -0.217 175.727 175.900 0.073 0.000 1.154 158 Y CA -0.529 57.596 58.100 0.041 0.000 1.192 158 Y CB 1.500 40.005 38.460 0.076 0.000 1.275 158 Y HN 0.558 nan 8.280 nan 0.000 0.491 159 D N 1.430 121.980 120.400 0.250 0.000 2.375 159 D HA 0.161 4.791 4.640 -0.016 0.000 0.259 159 D C -0.518 175.945 176.300 0.273 0.000 1.235 159 D CA -0.279 53.908 54.000 0.311 0.000 0.924 159 D CB -0.144 40.747 40.800 0.150 0.000 1.143 159 D HN 0.552 nan 8.370 nan 0.000 0.529 160 N N 2.964 121.830 118.700 0.277 0.000 2.725 160 N HA -0.239 4.492 4.740 -0.016 0.000 0.249 160 N C 0.913 176.513 175.510 0.150 0.000 1.103 160 N CA 1.767 54.924 53.050 0.177 0.000 0.707 160 N CB -0.894 37.676 38.487 0.138 0.000 1.043 160 N HN 0.881 nan 8.380 nan 0.000 0.553 161 G N -1.326 107.589 108.800 0.192 0.000 2.491 161 G HA2 -0.258 3.692 3.960 -0.016 0.000 0.203 161 G HA3 -0.258 3.692 3.960 -0.016 0.000 0.203 161 G C -0.065 175.012 174.900 0.295 0.000 1.052 161 G CA 0.054 45.257 45.100 0.173 0.000 0.675 161 G HN 0.391 nan 8.290 nan 0.000 0.504 162 N N 1.684 120.517 118.700 0.222 0.000 2.452 162 N HA 0.350 5.080 4.740 -0.016 0.000 0.266 162 N C 0.021 175.603 175.510 0.120 0.000 1.175 162 N CA -0.093 53.052 53.050 0.158 0.000 0.945 162 N CB 1.724 40.263 38.487 0.086 0.000 1.063 162 N HN 0.423 nan 8.380 nan 0.000 0.472 163 L N 3.278 124.507 121.223 0.010 0.000 2.453 163 L HA 0.075 4.405 4.340 -0.016 0.000 0.272 163 L C 0.884 177.612 176.870 -0.237 0.000 1.182 163 L CA 0.535 55.151 54.840 -0.372 0.000 0.858 163 L CB 0.368 42.215 42.059 -0.353 0.000 1.120 163 L HN 0.547 nan 8.230 nan 0.000 0.474 164 L N 3.848 124.898 121.223 -0.289 0.000 2.388 164 L HA 0.481 4.811 4.340 -0.016 0.000 0.209 164 L C 0.940 177.725 176.870 -0.141 0.000 1.061 164 L CA 0.488 55.209 54.840 -0.197 0.000 0.834 164 L CB 0.001 41.906 42.059 -0.257 0.000 1.029 164 L HN 0.841 nan 8.230 nan 0.000 0.473 165 G N -1.238 107.486 108.800 -0.127 0.000 2.328 165 G HA2 0.446 4.397 3.960 -0.016 0.000 0.295 165 G HA3 0.446 4.397 3.960 -0.016 0.000 0.295 165 G C -1.525 173.427 174.900 0.086 0.000 1.413 165 G CA -0.051 45.047 45.100 -0.003 0.000 0.817 165 G HN 0.120 nan 8.290 nan 0.000 0.546 166 G N -1.961 106.921 108.800 0.137 0.000 3.015 166 G HA2 0.513 4.463 3.960 -0.016 0.000 0.281 166 G HA3 0.513 4.463 3.960 -0.016 0.000 0.281 166 G C 0.126 175.063 174.900 0.061 0.000 1.386 166 G CA -0.265 44.886 45.100 0.085 0.000 0.959 166 G HN 0.607 nan 8.290 nan 0.000 0.522 167 Y N 0.487 120.574 120.300 -0.354 0.000 2.220 167 Y HA 0.116 4.656 4.550 -0.016 0.000 0.291 167 Y C 1.953 177.780 175.900 -0.121 0.000 1.129 167 Y CA 1.176 59.014 58.100 -0.438 0.000 1.161 167 Y CB -0.262 37.918 38.460 -0.466 0.000 0.997 167 Y HN 0.315 nan 8.280 nan 0.000 0.522 168 T N 2.158 116.655 114.554 -0.095 0.000 2.907 168 T HA 0.027 4.367 4.350 -0.016 0.000 0.298 168 T C 0.429 175.052 174.700 -0.129 0.000 1.017 168 T CA -0.092 61.915 62.100 -0.155 0.000 1.118 168 T CB 0.295 69.113 68.868 -0.084 0.000 0.948 168 T HN 0.369 nan 8.240 nan 0.000 0.531 169 N N 1.499 120.094 118.700 -0.175 0.000 2.721 169 N HA -0.184 4.547 4.740 -0.016 0.000 0.249 169 N C -0.735 174.719 175.510 -0.093 0.000 1.072 169 N CA 0.237 53.208 53.050 -0.132 0.000 0.710 169 N CB -0.514 37.922 38.487 -0.085 0.000 0.993 169 N HN 0.769 nan 8.380 nan 0.000 0.547 170 D N -0.095 120.239 120.400 -0.109 0.000 2.545 170 D HA 0.122 4.753 4.640 -0.016 0.000 0.227 170 D C 1.564 177.862 176.300 -0.004 0.000 1.150 170 D CA 0.340 54.360 54.000 0.034 0.000 1.046 170 D CB 0.355 41.298 40.800 0.238 0.000 1.098 170 D HN 0.278 nan 8.370 nan 0.000 0.502 171 T N 0.755 115.297 114.554 -0.020 0.000 2.915 171 T HA -0.236 4.105 4.350 -0.016 0.000 0.269 171 T C 1.375 176.071 174.700 -0.007 0.000 1.071 171 T CA 0.759 62.842 62.100 -0.029 0.000 1.132 171 T CB -0.185 68.663 68.868 -0.033 0.000 0.878 171 T HN 0.573 nan 8.240 nan 0.000 0.479 172 Q N 1.166 120.970 119.800 0.007 0.000 2.237 172 Q HA 0.328 4.659 4.340 -0.016 0.000 0.252 172 Q C -0.283 175.722 176.000 0.008 0.000 0.877 172 Q CA -0.583 55.220 55.803 0.000 0.000 1.011 172 Q CB -0.555 28.173 28.738 -0.017 0.000 1.118 172 Q HN 0.172 nan 8.270 nan 0.000 0.458 173 N N 1.033 119.764 118.700 0.052 0.000 2.718 173 N HA -0.203 4.527 4.740 -0.016 0.000 0.268 173 N C 0.008 175.514 175.510 -0.006 0.000 0.965 173 N CA 0.361 53.465 53.050 0.090 0.000 0.817 173 N CB -0.638 37.897 38.487 0.078 0.000 0.914 173 N HN 0.573 nan 8.380 nan 0.000 0.558 174 L N -1.305 119.887 121.223 -0.051 0.000 2.291 174 L HA 0.025 4.356 4.340 -0.016 0.000 0.214 174 L C 0.369 176.844 176.870 -0.657 0.000 1.120 174 L CA 0.787 55.391 54.840 -0.393 0.000 0.799 174 L CB -0.137 41.583 42.059 -0.564 0.000 0.925 174 L HN 0.195 nan 8.230 nan 0.000 0.446 175 F N -2.760 117.111 119.950 -0.132 0.000 2.679 175 F HA 0.383 4.901 4.527 -0.017 0.000 0.341 175 F C 0.311 175.883 175.800 -0.380 0.000 1.095 175 F CA -1.076 56.767 58.000 -0.262 0.000 1.004 175 F CB 0.650 39.614 39.000 -0.060 0.000 1.388 175 F HN -0.249 nan 8.300 nan 0.000 0.505 176 H N -1.347 117.677 119.070 -0.078 0.000 2.487 176 H HA 0.371 4.918 4.556 -0.016 0.000 0.333 176 H C -1.128 173.901 175.328 -0.498 0.000 1.114 176 H CA -0.476 55.470 56.048 -0.170 0.000 1.310 176 H CB 0.784 30.646 29.762 0.167 0.000 1.462 176 H HN 0.522 nan 8.280 nan 0.000 0.516 177 H N 3.412 122.323 119.070 -0.264 0.000 2.379 177 H HA 0.121 4.668 4.556 -0.016 0.000 0.229 177 H C -0.861 174.144 175.328 -0.540 0.000 1.423 177 H CA -0.078 55.777 56.048 -0.321 0.000 1.375 177 H CB 0.122 29.675 29.762 -0.348 0.000 1.592 177 H HN 0.668 nan 8.280 nan 0.000 0.507 178 Y N -0.052 120.300 120.300 0.087 0.000 2.626 178 Y HA 0.377 4.917 4.550 -0.016 0.000 0.248 178 Y C 1.409 177.312 175.900 0.005 0.000 1.147 178 Y CA 0.116 58.223 58.100 0.013 0.000 1.219 178 Y CB 1.079 39.514 38.460 -0.041 0.000 1.279 178 Y HN 0.661 nan 8.280 nan 0.000 0.541 179 G N 0.151 109.030 108.800 0.131 0.000 2.660 179 G HA2 0.089 4.040 3.960 -0.016 0.000 0.247 179 G HA3 0.089 4.040 3.960 -0.016 0.000 0.247 179 G C 0.054 174.978 174.900 0.040 0.000 1.328 179 G CA -0.694 44.450 45.100 0.074 0.000 0.884 179 G HN 0.573 nan 8.290 nan 0.000 0.531 180 G N -1.005 107.782 108.800 -0.022 0.000 2.425 180 G HA2 0.667 4.617 3.960 -0.016 0.000 0.302 180 G HA3 0.667 4.617 3.960 -0.016 0.000 0.302 180 G C 0.326 175.119 174.900 -0.178 0.000 1.159 180 G CA 0.991 46.030 45.100 -0.103 0.000 0.865 180 G HN 1.358 nan 8.290 nan 0.000 0.515 181 T N -0.848 113.509 114.554 -0.328 0.000 2.910 181 T HA 0.269 4.609 4.350 -0.016 0.000 0.293 181 T C 0.871 175.245 174.700 -0.543 0.000 1.015 181 T CA 0.027 61.858 62.100 -0.448 0.000 1.094 181 T CB 0.756 69.238 68.868 -0.643 0.000 0.968 181 T HN 0.560 nan 8.240 nan 0.000 0.521 182 D N 2.296 122.483 120.400 -0.355 0.000 2.369 182 D HA 0.144 4.774 4.640 -0.016 0.000 0.211 182 D C 0.609 176.881 176.300 -0.046 0.000 1.077 182 D CA -0.244 53.643 54.000 -0.188 0.000 0.842 182 D CB -0.506 40.246 40.800 -0.080 0.000 0.947 182 D HN 0.644 nan 8.370 nan 0.000 0.509 183 F N 0.173 120.072 119.950 -0.085 0.000 2.953 183 F HA -0.327 4.191 4.527 -0.015 0.000 0.292 183 F C 1.800 177.571 175.800 -0.048 0.000 0.747 183 F CA 0.546 58.507 58.000 -0.065 0.000 1.222 183 F CB -2.206 36.747 39.000 -0.078 0.000 1.457 183 F HN 0.174 nan 8.300 nan 0.000 0.383 184 S N -1.436 114.305 115.700 0.068 0.000 2.423 184 S HA 0.059 4.519 4.470 -0.016 0.000 0.231 184 S C 0.862 175.477 174.600 0.024 0.000 1.014 184 S CA 1.268 59.490 58.200 0.037 0.000 0.965 184 S CB -0.029 63.169 63.200 -0.003 0.000 0.785 184 S HN 0.541 nan 8.310 nan 0.000 0.495 185 T N -1.774 112.785 114.554 0.007 0.000 2.787 185 T HA 0.597 4.938 4.350 -0.016 0.000 0.297 185 T C 0.751 175.437 174.700 -0.024 0.000 1.221 185 T CA -0.820 61.274 62.100 -0.009 0.000 1.006 185 T CB 0.724 69.562 68.868 -0.049 0.000 1.328 185 T HN -0.091 nan 8.240 nan 0.000 0.509 186 I N 0.993 121.546 120.570 -0.027 0.000 2.133 186 I HA -0.070 4.090 4.170 -0.016 0.000 0.238 186 I C 2.738 178.785 176.117 -0.116 0.000 1.074 186 I CA 2.168 63.438 61.300 -0.049 0.000 1.342 186 I CB -1.385 36.647 38.000 0.054 0.000 1.053 186 I HN 1.043 nan 8.210 nan 0.000 0.404 187 E N 1.727 121.767 120.200 -0.267 0.000 2.130 187 E HA -0.283 4.058 4.350 -0.016 0.000 0.196 187 E C 2.002 178.526 176.600 -0.127 0.000 0.998 187 E CA 1.962 58.069 56.400 -0.488 0.000 0.806 187 E CB -0.417 28.621 29.700 -1.104 0.000 0.738 187 E HN 0.470 nan 8.360 nan 0.000 0.459 188 N N 0.311 118.937 118.700 -0.122 0.000 2.051 188 N HA -0.120 4.610 4.740 -0.016 0.000 0.192 188 N C 2.060 177.528 175.510 -0.071 0.000 1.049 188 N CA 1.772 54.772 53.050 -0.085 0.000 0.845 188 N CB -0.622 37.809 38.487 -0.094 0.000 1.031 188 N HN 0.341 nan 8.380 nan 0.000 0.425 189 G N 0.937 109.701 108.800 -0.060 0.000 2.498 189 G HA2 -0.115 3.835 3.960 -0.016 0.000 0.219 189 G HA3 -0.115 3.835 3.960 -0.016 0.000 0.219 189 G C 1.710 176.661 174.900 0.087 0.000 1.119 189 G CA 0.270 45.379 45.100 0.014 0.000 0.766 189 G HN 0.349 nan 8.290 nan 0.000 0.552 190 I N -1.254 119.289 120.570 -0.044 0.000 2.296 190 I HA -0.021 4.139 4.170 -0.016 0.000 0.242 190 I C 2.122 178.078 176.117 -0.269 0.000 1.087 190 I CA 0.808 62.005 61.300 -0.171 0.000 1.393 190 I CB -0.072 37.749 38.000 -0.298 0.000 1.093 190 I HN 0.117 nan 8.210 nan 0.000 0.421 191 Y N 0.956 121.250 120.300 -0.009 0.000 2.490 191 Y HA 0.130 4.671 4.550 -0.016 0.000 0.285 191 Y C 0.965 176.841 175.900 -0.039 0.000 1.117 191 Y CA 0.293 58.332 58.100 -0.101 0.000 1.262 191 Y CB -0.042 38.236 38.460 -0.305 0.000 1.043 191 Y HN -0.063 nan 8.280 nan 0.000 0.553 192 K N 1.153 121.591 120.400 0.063 0.000 2.098 192 K HA 0.187 4.497 4.320 -0.016 0.000 0.258 192 K C -0.345 176.257 176.600 0.003 0.000 0.973 192 K CA -0.693 55.630 56.287 0.059 0.000 0.898 192 K CB 0.859 33.341 32.500 -0.030 0.000 1.057 192 K HN 0.174 nan 8.250 nan 0.000 0.447 193 N N 1.242 119.950 118.700 0.013 0.000 2.374 193 N HA -0.040 4.690 4.740 -0.016 0.000 0.241 193 N C -0.519 174.870 175.510 -0.202 0.000 1.262 193 N CA 0.105 53.119 53.050 -0.059 0.000 0.880 193 N CB 0.427 38.885 38.487 -0.048 0.000 1.105 193 N HN 0.183 nan 8.380 nan 0.000 0.438 194 L N 3.934 125.021 121.223 -0.227 0.000 2.288 194 L HA 0.193 4.523 4.340 -0.016 0.000 0.283 194 L C -0.501 176.257 176.870 -0.187 0.000 1.072 194 L CA -0.200 54.411 54.840 -0.382 0.000 0.862 194 L CB -0.613 41.255 42.059 -0.319 0.000 1.245 194 L HN 0.716 nan 8.230 nan 0.000 0.432 195 Y N 0.897 121.081 120.300 -0.193 0.000 2.896 195 Y HA -0.372 4.168 4.550 -0.016 0.000 0.466 195 Y C 0.770 176.594 175.900 -0.127 0.000 1.197 195 Y CA 0.910 58.929 58.100 -0.137 0.000 2.513 195 Y CB -0.812 37.576 38.460 -0.120 0.000 1.232 195 Y HN 0.750 nan 8.280 nan 0.000 0.632 196 D N 2.269 122.736 120.400 0.111 0.000 2.505 196 D HA 0.481 5.111 4.640 -0.016 0.000 0.242 196 D C -1.024 175.232 176.300 -0.073 0.000 1.136 196 D CA 0.119 54.132 54.000 0.023 0.000 0.954 196 D CB -0.005 40.860 40.800 0.109 0.000 1.002 196 D HN 0.519 nan 8.370 nan 0.000 0.512 197 L N 1.224 122.353 121.223 -0.156 0.000 2.541 197 L HA 0.452 4.782 4.340 -0.016 0.000 0.266 197 L C 0.089 176.789 176.870 -0.283 0.000 0.966 197 L CA -1.124 53.578 54.840 -0.230 0.000 0.871 197 L CB 2.025 43.920 42.059 -0.273 0.000 1.232 197 L HN 0.341 nan 8.230 nan 0.000 0.408 198 A N 1.707 124.255 122.820 -0.454 0.000 2.563 198 A HA -0.013 4.298 4.320 -0.016 0.000 0.256 198 A C -0.053 177.467 177.584 -0.106 0.000 1.056 198 A CA 0.358 51.978 52.037 -0.696 0.000 0.775 198 A CB -0.260 18.194 19.000 -0.910 0.000 0.973 198 A HN 0.730 nan 8.150 nan 0.000 0.516 199 D N 2.794 123.162 120.400 -0.053 0.000 2.339 199 D HA 0.408 5.038 4.640 -0.016 0.000 0.241 199 D C 0.075 176.358 176.300 -0.029 0.000 1.183 199 D CA -0.106 53.914 54.000 0.034 0.000 0.859 199 D CB 0.274 41.113 40.800 0.065 0.000 1.067 199 D HN 0.495 nan 8.370 nan 0.000 0.484 200 L N 3.446 124.572 121.223 -0.163 0.000 2.485 200 L HA 0.086 4.416 4.340 -0.016 0.000 0.275 200 L C 0.644 176.988 176.870 -0.877 0.000 1.207 200 L CA -0.118 54.393 54.840 -0.549 0.000 0.855 200 L CB 0.279 41.984 42.059 -0.590 0.000 1.114 200 L HN 0.454 nan 8.230 nan 0.000 0.485 201 N N 0.838 119.022 118.700 -0.860 0.000 2.500 201 N HA 0.134 4.864 4.740 -0.016 0.000 0.236 201 N C 0.392 175.513 175.510 -0.648 0.000 1.022 201 N CA -0.249 52.346 53.050 -0.759 0.000 0.935 201 N CB 0.488 38.710 38.487 -0.442 0.000 1.147 201 N HN 0.417 nan 8.380 nan 0.000 0.512 202 H N 1.219 120.037 119.070 -0.420 0.000 2.555 202 H HA 0.039 4.585 4.556 -0.016 0.000 0.269 202 H C 1.014 176.230 175.328 -0.187 0.000 0.988 202 H CA 0.485 56.218 56.048 -0.525 0.000 1.178 202 H CB 0.271 29.329 29.762 -1.174 0.000 1.373 202 H HN 0.552 nan 8.280 nan 0.000 0.588 203 N N 0.560 119.277 118.700 0.028 0.000 2.412 203 N HA -0.104 4.626 4.740 -0.016 0.000 0.184 203 N C 0.002 175.557 175.510 0.076 0.000 1.101 203 N CA -0.010 53.113 53.050 0.123 0.000 0.881 203 N CB 0.183 38.783 38.487 0.189 0.000 0.969 203 N HN 0.127 nan 8.380 nan 0.000 0.459 204 N N 0.164 118.863 118.700 -0.002 0.000 2.414 204 N HA 0.084 4.814 4.740 -0.016 0.000 0.256 204 N C 0.164 175.682 175.510 0.014 0.000 1.029 204 N CA 0.077 53.119 53.050 -0.013 0.000 0.948 204 N CB 1.136 39.570 38.487 -0.089 0.000 1.102 204 N HN 0.021 nan 8.380 nan 0.000 0.496 205 S N 2.136 117.868 115.700 0.052 0.000 2.407 205 S HA -0.166 4.294 4.470 -0.016 0.000 0.235 205 S C 1.808 176.453 174.600 0.074 0.000 1.036 205 S CA 1.341 59.589 58.200 0.081 0.000 1.013 205 S CB -0.033 63.211 63.200 0.075 0.000 0.820 205 S HN 0.647 nan 8.310 nan 0.000 0.476 206 S N 1.220 116.936 115.700 0.026 0.000 2.344 206 S HA -0.090 4.371 4.470 -0.016 0.000 0.217 206 S C 2.109 176.739 174.600 0.051 0.000 1.033 206 S CA 1.440 59.650 58.200 0.016 0.000 1.017 206 S CB -0.570 62.593 63.200 -0.062 0.000 0.941 206 S HN 0.382 nan 8.310 nan 0.000 0.430 207 V N 2.204 122.094 119.914 -0.040 0.000 2.392 207 V HA -0.228 3.883 4.120 -0.016 0.000 0.249 207 V C 2.153 178.323 176.094 0.128 0.000 1.059 207 V CA 2.153 64.431 62.300 -0.036 0.000 1.051 207 V CB -0.884 30.763 31.823 -0.293 0.000 0.658 207 V HN 0.465 nan 8.190 nan 0.000 0.455 208 D N 0.758 121.254 120.400 0.160 0.000 2.088 208 D HA -0.177 4.453 4.640 -0.016 0.000 0.196 208 D C 2.122 178.610 176.300 0.313 0.000 0.983 208 D CA 2.283 56.488 54.000 0.342 0.000 0.846 208 D CB -0.284 40.712 40.800 0.326 0.000 0.992 208 D HN 0.287 nan 8.370 nan 0.000 0.448 209 V N -0.843 119.204 119.914 0.221 0.000 2.594 209 V HA -0.173 3.937 4.120 -0.016 0.000 0.253 209 V C 2.240 178.440 176.094 0.176 0.000 1.069 209 V CA 1.815 64.218 62.300 0.172 0.000 1.082 209 V CB -1.372 30.525 31.823 0.123 0.000 0.680 209 V HN 0.435 nan 8.190 nan 0.000 0.469 210 Y N 0.428 120.782 120.300 0.091 0.000 2.200 210 Y HA -0.024 4.516 4.550 -0.016 0.000 0.290 210 Y C 2.286 178.254 175.900 0.112 0.000 1.137 210 Y CA 1.748 59.897 58.100 0.082 0.000 1.163 210 Y CB -0.162 38.327 38.460 0.048 0.000 0.988 210 Y HN 0.179 nan 8.280 nan 0.000 0.518 211 L N 0.745 122.012 121.223 0.075 0.000 2.201 211 L HA -0.151 4.179 4.340 -0.016 0.000 0.212 211 L C 2.037 179.030 176.870 0.205 0.000 1.105 211 L CA 1.725 56.581 54.840 0.026 0.000 0.775 211 L CB -0.994 41.158 42.059 0.156 0.000 0.913 211 L HN 0.350 nan 8.230 nan 0.000 0.440 212 K N -0.579 119.956 120.400 0.225 0.000 2.076 212 K HA -0.099 4.211 4.320 -0.016 0.000 0.204 212 K C 1.644 178.256 176.600 0.020 0.000 1.051 212 K CA 0.958 57.363 56.287 0.197 0.000 0.949 212 K CB 0.051 32.640 32.500 0.149 0.000 0.726 212 K HN 0.162 nan 8.250 nan 0.000 0.443 213 D N 1.173 121.562 120.400 -0.018 0.000 2.117 213 D HA -0.135 4.496 4.640 -0.016 0.000 0.197 213 D C 1.815 178.061 176.300 -0.090 0.000 0.987 213 D CA 1.298 55.252 54.000 -0.076 0.000 0.829 213 D CB -0.226 40.549 40.800 -0.041 0.000 0.961 213 D HN 0.191 nan 8.370 nan 0.000 0.460 214 A N 0.444 123.205 122.820 -0.099 0.000 1.972 214 A HA -0.145 4.165 4.320 -0.016 0.000 0.219 214 A C 2.162 179.825 177.584 0.132 0.000 1.169 214 A CA 0.835 52.864 52.037 -0.012 0.000 0.635 214 A CB -0.527 18.441 19.000 -0.054 0.000 0.810 214 A HN 0.208 nan 8.150 nan 0.000 0.446 215 I N -0.547 120.071 120.570 0.080 0.000 2.439 215 I HA -0.122 4.038 4.170 -0.016 0.000 0.251 215 I C 1.925 178.002 176.117 -0.067 0.000 1.139 215 I CA 1.214 62.463 61.300 -0.086 0.000 1.438 215 I CB -0.220 37.647 38.000 -0.221 0.000 1.085 215 I HN 0.089 nan 8.210 nan 0.000 0.427 216 K N -0.095 120.224 120.400 -0.134 0.000 2.032 216 K HA -0.212 4.098 4.320 -0.016 0.000 0.209 216 K C 2.130 178.700 176.600 -0.050 0.000 1.048 216 K CA 1.796 57.959 56.287 -0.207 0.000 0.927 216 K CB -0.833 31.429 32.500 -0.397 0.000 0.712 216 K HN 0.386 nan 8.250 nan 0.000 0.441 217 M N -0.870 118.668 119.600 -0.102 0.000 2.195 217 M HA -0.190 4.280 4.480 -0.016 0.000 0.260 217 M C 1.565 177.735 176.300 -0.218 0.000 1.066 217 M CA 1.751 56.938 55.300 -0.188 0.000 1.089 217 M CB -0.171 32.239 32.600 -0.317 0.000 1.377 217 M HN 0.198 nan 8.290 nan 0.000 0.411 218 W N -0.281 121.036 121.300 0.028 0.000 2.576 218 W HA 0.008 4.659 4.660 -0.015 0.000 0.270 218 W C 1.845 178.420 176.519 0.094 0.000 1.255 218 W CA 0.255 57.640 57.345 0.066 0.000 1.314 218 W CB -0.216 29.257 29.460 0.021 0.000 1.101 218 W HN 0.133 nan 8.180 nan 0.000 0.595 219 L N -0.166 121.204 121.223 0.244 0.000 2.109 219 L HA -0.159 4.171 4.340 -0.016 0.000 0.207 219 L C 1.820 178.800 176.870 0.184 0.000 1.086 219 L CA 1.016 55.981 54.840 0.208 0.000 0.760 219 L CB -0.616 41.580 42.059 0.227 0.000 0.910 219 L HN -0.107 nan 8.230 nan 0.000 0.437 220 D N 0.153 120.653 120.400 0.166 0.000 2.219 220 D HA -0.084 4.547 4.640 -0.016 0.000 0.205 220 D C 2.221 178.577 176.300 0.094 0.000 0.970 220 D CA 1.008 55.078 54.000 0.117 0.000 0.851 220 D CB 0.123 40.977 40.800 0.091 0.000 0.943 220 D HN 0.313 nan 8.370 nan 0.000 0.488 221 L N -0.497 120.805 121.223 0.133 0.000 2.552 221 L HA 0.109 4.439 4.340 -0.016 0.000 0.227 221 L C 1.231 178.188 176.870 0.143 0.000 1.146 221 L CA 0.473 55.416 54.840 0.171 0.000 0.858 221 L CB 0.020 42.283 42.059 0.340 0.000 0.969 221 L HN 0.108 nan 8.230 nan 0.000 0.451 222 G N 0.619 109.509 108.800 0.150 0.000 2.141 222 G HA2 -0.207 3.743 3.960 -0.016 0.000 0.195 222 G HA3 -0.207 3.743 3.960 -0.016 0.000 0.195 222 G C 0.140 175.143 174.900 0.172 0.000 1.012 222 G CA -0.038 45.135 45.100 0.122 0.000 0.696 222 G HN 0.156 nan 8.290 nan 0.000 0.508 223 V N -2.126 117.924 119.914 0.226 0.000 2.614 223 V HA 0.582 4.692 4.120 -0.016 0.000 0.291 223 V C 0.935 177.165 176.094 0.227 0.000 1.049 223 V CA 0.287 62.729 62.300 0.237 0.000 1.038 223 V CB 1.484 33.462 31.823 0.258 0.000 0.980 223 V HN 0.117 nan 8.190 nan 0.000 0.481 224 D N 3.215 123.776 120.400 0.268 0.000 2.327 224 D HA 0.250 4.881 4.640 -0.016 0.000 0.205 224 D C 0.809 177.355 176.300 0.410 0.000 0.989 224 D CA 1.428 55.618 54.000 0.317 0.000 0.873 224 D CB 0.988 41.971 40.800 0.306 0.000 0.955 224 D HN 0.900 nan 8.370 nan 0.000 0.515 225 G N 0.224 109.186 108.800 0.269 0.000 2.720 225 G HA2 0.575 4.525 3.960 -0.016 0.000 0.295 225 G HA3 0.575 4.525 3.960 -0.016 0.000 0.295 225 G C -1.479 173.406 174.900 -0.026 0.000 1.437 225 G CA -0.624 44.531 45.100 0.092 0.000 0.886 225 G HN -0.027 nan 8.290 nan 0.000 0.509 226 I N 1.277 121.757 120.570 -0.150 0.000 2.406 226 I HA 0.454 4.614 4.170 -0.016 0.000 0.290 226 I C -0.186 175.657 176.117 -0.457 0.000 0.999 226 I CA -0.938 60.234 61.300 -0.213 0.000 1.124 226 I CB 2.089 39.991 38.000 -0.164 0.000 1.289 226 I HN 0.136 nan 8.210 nan 0.000 0.441 227 R N 6.260 126.450 120.500 -0.516 0.000 2.239 227 R HA 0.434 4.764 4.340 -0.016 0.000 0.332 227 R C -1.298 174.823 176.300 -0.299 0.000 0.988 227 R CA -0.600 54.977 56.100 -0.872 0.000 0.859 227 R CB 1.163 30.843 30.300 -1.034 0.000 1.148 227 R HN 0.382 nan 8.270 nan 0.000 0.482 228 V N 4.320 124.114 119.914 -0.201 0.000 2.498 228 V HA 0.106 4.217 4.120 -0.016 0.000 0.279 228 V C 0.869 177.035 176.094 0.120 0.000 1.048 228 V CA -0.471 61.871 62.300 0.070 0.000 0.967 228 V CB 1.333 33.260 31.823 0.174 0.000 0.988 228 V HN 0.587 nan 8.190 nan 0.000 0.473 229 D N 3.883 124.376 120.400 0.156 0.000 2.304 229 D HA 0.354 4.984 4.640 -0.016 0.000 0.247 229 D C 0.651 177.075 176.300 0.206 0.000 1.089 229 D CA 0.405 54.523 54.000 0.196 0.000 0.910 229 D CB 1.543 42.452 40.800 0.181 0.000 1.199 229 D HN 0.960 nan 8.370 nan 0.000 0.426 230 A N 2.771 125.740 122.820 0.249 0.000 2.261 230 A HA -0.191 4.119 4.320 -0.016 0.000 0.282 230 A C 1.514 179.189 177.584 0.151 0.000 1.403 230 A CA 1.013 53.209 52.037 0.266 0.000 0.753 230 A CB -2.110 17.086 19.000 0.326 0.000 1.125 230 A HN 0.772 nan 8.150 nan 0.000 0.358 231 V N -1.131 118.843 119.914 0.099 0.000 2.626 231 V HA -0.138 3.972 4.120 -0.016 0.000 0.252 231 V C 1.906 177.831 176.094 -0.281 0.000 1.067 231 V CA 2.403 64.717 62.300 0.023 0.000 1.081 231 V CB -0.558 31.360 31.823 0.160 0.000 0.686 231 V HN 0.713 nan 8.190 nan 0.000 0.468 232 K N -0.670 119.403 120.400 -0.545 0.000 2.432 232 K HA -0.054 4.256 4.320 -0.016 0.000 0.196 232 K C 1.232 177.294 176.600 -0.896 0.000 1.038 232 K CA 0.820 56.437 56.287 -1.117 0.000 0.986 232 K CB -0.091 31.398 32.500 -1.685 0.000 0.782 232 K HN 0.708 nan 8.250 nan 0.000 0.485 233 H N -0.496 118.446 119.070 -0.213 0.000 2.486 233 H HA 0.261 4.807 4.556 -0.017 0.000 0.284 233 H C -0.348 174.924 175.328 -0.094 0.000 1.103 233 H CA -0.007 55.962 56.048 -0.131 0.000 1.089 233 H CB 0.220 29.942 29.762 -0.067 0.000 1.603 233 H HN 0.104 nan 8.280 nan 0.000 0.557 234 M N 1.840 121.421 119.600 -0.032 0.000 2.446 234 M HA 0.293 4.763 4.480 -0.016 0.000 0.294 234 M C -2.647 173.676 176.300 0.037 0.000 1.158 234 M CA -1.854 53.435 55.300 -0.018 0.000 0.899 234 M CB 3.374 35.975 32.600 0.002 0.000 1.687 234 M HN -0.172 nan 8.290 nan 0.000 0.455 235 P HA -0.046 nan 4.420 nan 0.000 0.262 235 P C 0.313 177.801 177.300 0.313 0.000 1.199 235 P CA 0.270 63.475 63.100 0.175 0.000 0.763 235 P CB 0.321 32.125 31.700 0.174 0.000 0.790 236 F N 5.016 125.106 119.950 0.233 0.000 2.115 236 F HA -0.202 4.315 4.527 -0.017 0.000 0.300 236 F C 2.279 178.226 175.800 0.245 0.000 1.092 236 F CA 2.592 60.794 58.000 0.337 0.000 1.245 236 F CB -0.776 38.457 39.000 0.389 0.000 0.995 236 F HN 0.395 nan 8.300 nan 0.000 0.481 237 G N -1.486 107.516 108.800 0.336 0.000 2.470 237 G HA2 -0.343 3.608 3.960 -0.016 0.000 0.220 237 G HA3 -0.343 3.608 3.960 -0.016 0.000 0.220 237 G C 1.316 176.310 174.900 0.156 0.000 1.121 237 G CA 0.713 45.940 45.100 0.211 0.000 0.766 237 G HN 0.654 nan 8.290 nan 0.000 0.553 238 W N 0.576 121.891 121.300 0.025 0.000 2.576 238 W HA 0.177 4.826 4.660 -0.017 0.000 0.275 238 W C 2.592 179.102 176.519 -0.015 0.000 1.241 238 W CA 0.642 57.987 57.345 -0.001 0.000 1.328 238 W CB 0.273 29.703 29.460 -0.050 0.000 1.092 238 W HN 0.215 nan 8.180 nan 0.000 0.586 239 Q N 0.429 120.287 119.800 0.096 0.000 2.224 239 Q HA -0.217 4.113 4.340 -0.016 0.000 0.203 239 Q C 2.026 177.908 176.000 -0.197 0.000 0.970 239 Q CA 1.542 57.340 55.803 -0.008 0.000 0.865 239 Q CB -0.204 28.653 28.738 0.197 0.000 0.922 239 Q HN 0.304 nan 8.270 nan 0.000 0.445 240 K N 0.568 120.791 120.400 -0.296 0.000 2.116 240 K HA -0.100 4.210 4.320 -0.016 0.000 0.203 240 K C 2.267 178.717 176.600 -0.250 0.000 1.052 240 K CA 1.346 57.440 56.287 -0.322 0.000 0.952 240 K CB 0.051 32.341 32.500 -0.349 0.000 0.729 240 K HN 0.154 nan 8.250 nan 0.000 0.446 241 S N -0.023 115.525 115.700 -0.253 0.000 2.402 241 S HA -0.143 4.318 4.470 -0.016 0.000 0.229 241 S C 1.871 176.274 174.600 -0.327 0.000 1.021 241 S CA 0.569 58.622 58.200 -0.246 0.000 0.974 241 S CB -0.529 62.539 63.200 -0.219 0.000 0.800 241 S HN 0.380 nan 8.310 nan 0.000 0.484 242 F N 2.186 121.708 119.950 -0.712 0.000 2.128 242 F HA 0.165 4.682 4.527 -0.017 0.000 0.295 242 F C 2.268 177.831 175.800 -0.395 0.000 1.100 242 F CA 1.113 58.677 58.000 -0.726 0.000 1.260 242 F CB -0.444 37.883 39.000 -1.121 0.000 1.009 242 F HN 0.095 nan 8.300 nan 0.000 0.476 243 M N 0.529 119.899 119.600 -0.382 0.000 2.159 243 M HA -0.112 4.358 4.480 -0.016 0.000 0.263 243 M C 2.512 178.633 176.300 -0.299 0.000 1.063 243 M CA 1.571 56.653 55.300 -0.363 0.000 1.110 243 M CB -2.016 30.430 32.600 -0.258 0.000 1.374 243 M HN 0.283 nan 8.290 nan 0.000 0.411 244 A N -0.682 121.990 122.820 -0.247 0.000 1.978 244 A HA -0.158 4.152 4.320 -0.016 0.000 0.220 244 A C 2.334 179.818 177.584 -0.167 0.000 1.170 244 A CA 2.269 54.202 52.037 -0.174 0.000 0.636 244 A CB -1.063 17.854 19.000 -0.139 0.000 0.810 244 A HN 0.489 nan 8.150 nan 0.000 0.448 245 T N 0.128 114.541 114.554 -0.234 0.000 2.812 245 T HA -0.023 4.318 4.350 -0.016 0.000 0.264 245 T C 1.796 176.379 174.700 -0.194 0.000 1.042 245 T CA 1.348 63.321 62.100 -0.212 0.000 1.140 245 T CB -0.328 68.387 68.868 -0.257 0.000 0.870 245 T HN 0.444 nan 8.240 nan 0.000 0.445 246 I N 1.589 121.976 120.570 -0.304 0.000 2.163 246 I HA -0.176 3.985 4.170 -0.016 0.000 0.240 246 I C 2.415 178.490 176.117 -0.069 0.000 1.081 246 I CA 1.000 62.177 61.300 -0.206 0.000 1.353 246 I CB -0.485 37.321 38.000 -0.323 0.000 1.054 246 I HN 0.169 nan 8.210 nan 0.000 0.407 247 N N 1.409 120.048 118.700 -0.102 0.000 2.104 247 N HA -0.175 4.555 4.740 -0.016 0.000 0.190 247 N C 1.252 176.755 175.510 -0.011 0.000 1.024 247 N CA 1.343 54.364 53.050 -0.048 0.000 0.853 247 N CB -0.676 37.771 38.487 -0.067 0.000 1.008 247 N HN 0.337 nan 8.380 nan 0.000 0.424 248 N N -0.506 118.188 118.700 -0.010 0.000 2.434 248 N HA -0.021 4.709 4.740 -0.016 0.000 0.196 248 N C 0.621 176.182 175.510 0.085 0.000 1.183 248 N CA 0.114 53.175 53.050 0.019 0.000 0.849 248 N CB 0.105 38.593 38.487 0.003 0.000 0.992 248 N HN 0.482 nan 8.380 nan 0.000 0.460 249 Y N 0.200 120.461 120.300 -0.065 0.000 3.208 249 Y HA 0.326 4.866 4.550 -0.017 0.000 0.205 249 Y C -0.535 175.340 175.900 -0.041 0.000 0.923 249 Y CA 0.028 58.095 58.100 -0.055 0.000 1.596 249 Y CB 0.867 39.285 38.460 -0.070 0.000 1.478 249 Y HN -0.293 nan 8.280 nan 0.000 0.409 250 K N 1.892 122.250 120.400 -0.069 0.000 2.895 250 K HA 0.312 4.622 4.320 -0.016 0.000 0.191 250 K C -2.889 173.704 176.600 -0.012 0.000 1.117 250 K CA -1.932 54.277 56.287 -0.130 0.000 0.988 250 K CB 1.584 33.987 32.500 -0.162 0.000 1.181 250 K HN 0.021 nan 8.250 nan 0.000 0.598 251 P HA -0.129 nan 4.420 nan 0.000 0.255 251 P C -0.700 176.628 177.300 0.048 0.000 1.151 251 P CA 0.347 63.457 63.100 0.016 0.000 0.767 251 P CB 0.475 32.191 31.700 0.026 0.000 0.736 252 V N 5.030 124.974 119.914 0.051 0.000 2.962 252 V HA 0.354 4.464 4.120 -0.016 0.000 0.313 252 V C -0.388 175.784 176.094 0.131 0.000 1.099 252 V CA -0.950 61.415 62.300 0.108 0.000 0.971 252 V CB 2.130 33.997 31.823 0.073 0.000 1.028 252 V HN 0.348 nan 8.190 nan 0.000 0.430 253 F N 3.071 123.031 119.950 0.017 0.000 2.494 253 F HA 0.397 4.914 4.527 -0.017 0.000 0.369 253 F C 0.322 176.063 175.800 -0.099 0.000 1.098 253 F CA 0.516 58.470 58.000 -0.078 0.000 1.154 253 F CB 0.300 39.141 39.000 -0.265 0.000 1.103 253 F HN 0.510 nan 8.300 nan 0.000 0.549 254 T N 7.745 122.053 114.554 -0.410 0.000 2.841 254 T HA 0.580 4.920 4.350 -0.016 0.000 0.283 254 T C -1.133 173.352 174.700 -0.358 0.000 1.000 254 T CA -0.384 61.493 62.100 -0.371 0.000 0.977 254 T CB 1.250 69.989 68.868 -0.216 0.000 0.979 254 T HN 0.472 nan 8.240 nan 0.000 0.446 255 F N -0.659 118.981 119.950 -0.518 0.000 2.588 255 F HA 0.810 5.326 4.527 -0.018 0.000 0.314 255 F C -0.092 175.639 175.800 -0.114 0.000 1.134 255 F CA -1.182 56.608 58.000 -0.351 0.000 0.961 255 F CB 0.930 39.630 39.000 -0.500 0.000 1.239 255 F HN 0.748 nan 8.300 nan 0.000 0.448 256 G N 1.121 110.011 108.800 0.151 0.000 2.521 256 G HA2 0.516 4.467 3.960 -0.016 0.000 0.323 256 G HA3 0.516 4.467 3.960 -0.016 0.000 0.323 256 G C -1.848 173.261 174.900 0.348 0.000 1.211 256 G CA -0.855 44.363 45.100 0.197 0.000 0.979 256 G HN 0.945 nan 8.290 nan 0.000 0.490 257 E N -0.555 119.872 120.200 0.379 0.000 2.166 257 E HA 0.354 4.695 4.350 -0.016 0.000 0.275 257 E C -1.517 175.400 176.600 0.527 0.000 0.941 257 E CA -0.972 55.748 56.400 0.533 0.000 0.784 257 E CB 1.500 31.533 29.700 0.556 0.000 1.115 257 E HN 0.445 nan 8.360 nan 0.000 0.399 258 W N 8.038 129.567 121.300 0.381 0.000 2.451 258 W HA 0.260 4.910 4.660 -0.017 0.000 0.285 258 W C -1.813 174.806 176.519 0.166 0.000 1.024 258 W CA -1.580 55.918 57.345 0.256 0.000 1.421 258 W CB 0.047 29.660 29.460 0.256 0.000 1.319 258 W HN 0.539 nan 8.180 nan 0.000 0.366 259 F N 5.102 125.061 119.950 0.015 0.000 2.623 259 F HA 0.112 4.628 4.527 -0.018 0.000 0.386 259 F C -0.220 175.418 175.800 -0.271 0.000 1.068 259 F CA 1.236 58.916 58.000 -0.533 0.000 1.265 259 F CB 0.600 39.358 39.000 -0.403 0.000 1.026 259 F HN 0.164 nan 8.300 nan 0.000 0.568 260 L N 6.021 126.686 121.223 -0.930 0.000 2.406 260 L HA 0.429 4.760 4.340 -0.016 0.000 0.272 260 L C 0.388 176.984 176.870 -0.457 0.000 0.980 260 L CA -0.729 53.854 54.840 -0.429 0.000 0.831 260 L CB 1.524 43.357 42.059 -0.375 0.000 1.253 260 L HN 0.760 nan 8.230 nan 0.000 0.406 261 G N 2.136 110.858 108.800 -0.130 0.000 2.580 261 G HA2 0.415 4.365 3.960 -0.016 0.000 0.278 261 G HA3 0.415 4.365 3.960 -0.016 0.000 0.278 261 G C -0.016 174.870 174.900 -0.022 0.000 1.212 261 G CA -0.497 44.599 45.100 -0.006 0.000 0.939 261 G HN 0.298 nan 8.290 nan 0.000 0.513 262 V N 1.060 120.982 119.914 0.015 0.000 2.720 262 V HA -0.042 4.068 4.120 -0.016 0.000 0.307 262 V C 0.905 176.995 176.094 -0.006 0.000 1.071 262 V CA 0.904 63.207 62.300 0.005 0.000 1.199 262 V CB -0.019 31.810 31.823 0.011 0.000 0.900 262 V HN 0.979 nan 8.190 nan 0.000 0.494 263 N N 1.382 120.074 118.700 -0.014 0.000 2.727 263 N HA -0.201 4.530 4.740 -0.016 0.000 0.249 263 N C -0.145 175.354 175.510 -0.018 0.000 1.048 263 N CA 1.145 54.186 53.050 -0.015 0.000 0.714 263 N CB -0.585 37.895 38.487 -0.012 0.000 0.959 263 N HN 0.893 nan 8.380 nan 0.000 0.544 264 E N 0.929 121.108 120.200 -0.035 0.000 2.222 264 E HA 0.523 4.863 4.350 -0.016 0.000 0.267 264 E C -1.036 175.511 176.600 -0.088 0.000 0.884 264 E CA -0.969 55.404 56.400 -0.047 0.000 0.764 264 E CB 0.957 30.628 29.700 -0.048 0.000 1.169 264 E HN 0.277 nan 8.360 nan 0.000 0.413 265 I N 0.770 121.306 120.570 -0.056 0.000 2.854 265 I HA 0.253 4.413 4.170 -0.016 0.000 0.280 265 I C -0.669 175.456 176.117 0.012 0.000 1.482 265 I CA -0.777 60.494 61.300 -0.047 0.000 0.884 265 I CB 0.867 38.895 38.000 0.046 0.000 1.600 265 I HN 0.107 nan 8.210 nan 0.000 0.585 266 S N 5.364 121.042 115.700 -0.035 0.000 2.537 266 S HA 0.192 4.652 4.470 -0.016 0.000 0.286 266 S C -1.260 173.404 174.600 0.107 0.000 1.299 266 S CA -0.453 57.782 58.200 0.058 0.000 1.067 266 S CB 0.349 63.622 63.200 0.122 0.000 0.864 266 S HN 0.548 nan 8.310 nan 0.000 0.494 267 P HA 0.006 nan 4.420 nan 0.000 0.231 267 P C 0.581 177.941 177.300 0.099 0.000 1.168 267 P CA 0.659 63.845 63.100 0.144 0.000 0.779 267 P CB 0.286 32.042 31.700 0.094 0.000 0.844 268 E N -0.621 119.629 120.200 0.082 0.000 2.107 268 E HA -0.168 4.172 4.350 -0.016 0.000 0.191 268 E C 2.006 178.431 176.600 -0.292 0.000 0.982 268 E CA 0.905 57.344 56.400 0.066 0.000 0.809 268 E CB -1.156 28.736 29.700 0.320 0.000 0.756 268 E HN 0.300 nan 8.360 nan 0.000 0.459 269 Y N 0.622 120.460 120.300 -0.770 0.000 2.165 269 Y HA -0.298 4.242 4.550 -0.017 0.000 0.286 269 Y C 2.139 177.656 175.900 -0.639 0.000 1.155 269 Y CA 1.951 59.237 58.100 -1.357 0.000 1.164 269 Y CB -0.033 37.751 38.460 -1.126 0.000 0.978 269 Y HN 0.181 nan 8.280 nan 0.000 0.513 270 H N -0.272 118.703 119.070 -0.158 0.000 2.343 270 H HA -0.138 4.409 4.556 -0.016 0.000 0.303 270 H C 2.202 177.491 175.328 -0.066 0.000 1.068 270 H CA 1.625 57.594 56.048 -0.131 0.000 1.359 270 H CB -0.559 29.153 29.762 -0.083 0.000 1.402 270 H HN 0.499 nan 8.280 nan 0.000 0.515 271 Q N 0.194 120.045 119.800 0.085 0.000 2.197 271 Q HA -0.188 4.142 4.340 -0.016 0.000 0.207 271 Q C 2.044 178.116 176.000 0.121 0.000 0.984 271 Q CA 1.325 57.169 55.803 0.068 0.000 0.869 271 Q CB -0.140 28.616 28.738 0.030 0.000 0.906 271 Q HN 0.300 nan 8.270 nan 0.000 0.426 272 F N 0.312 120.250 119.950 -0.019 0.000 2.098 272 F HA 0.015 4.532 4.527 -0.017 0.000 0.294 272 F C 2.146 178.042 175.800 0.160 0.000 1.107 272 F CA 1.387 59.509 58.000 0.202 0.000 1.234 272 F CB -0.647 38.431 39.000 0.131 0.000 1.002 272 F HN 0.108 nan 8.300 nan 0.000 0.472 273 A N 0.279 123.117 122.820 0.031 0.000 2.024 273 A HA -0.211 4.099 4.320 -0.016 0.000 0.220 273 A C 1.835 179.417 177.584 -0.002 0.000 1.164 273 A CA 2.061 54.084 52.037 -0.023 0.000 0.643 273 A CB -0.764 18.258 19.000 0.037 0.000 0.806 273 A HN 0.554 nan 8.150 nan 0.000 0.451 274 N N -0.753 117.972 118.700 0.042 0.000 2.402 274 N HA 0.006 4.736 4.740 -0.016 0.000 0.174 274 N C 1.261 176.797 175.510 0.042 0.000 1.027 274 N CA 0.982 54.064 53.050 0.054 0.000 0.891 274 N CB -0.042 38.490 38.487 0.076 0.000 1.016 274 N HN 0.653 nan 8.380 nan 0.000 0.439 275 E N -0.012 120.241 120.200 0.089 0.000 2.473 275 E HA 0.076 4.417 4.350 -0.016 0.000 0.204 275 E C 1.400 178.101 176.600 0.169 0.000 0.994 275 E CA 0.094 56.607 56.400 0.190 0.000 0.945 275 E CB 0.382 30.263 29.700 0.302 0.000 0.990 275 E HN 0.274 nan 8.360 nan 0.000 0.493 276 S N -0.461 115.167 115.700 -0.119 0.000 2.395 276 S HA 0.068 4.528 4.470 -0.016 0.000 0.225 276 S C 1.776 176.132 174.600 -0.407 0.000 1.027 276 S CA 0.944 58.794 58.200 -0.584 0.000 0.965 276 S CB 0.293 62.743 63.200 -1.251 0.000 0.812 276 S HN 0.315 nan 8.310 nan 0.000 0.482 277 G N 1.279 109.913 108.800 -0.277 0.000 2.284 277 G HA2 -0.160 3.790 3.960 -0.016 0.000 0.201 277 G HA3 -0.160 3.790 3.960 -0.016 0.000 0.201 277 G C -0.008 174.792 174.900 -0.167 0.000 0.998 277 G CA -0.039 44.941 45.100 -0.200 0.000 0.651 277 G HN 0.868 nan 8.290 nan 0.000 0.489 278 M N 0.493 119.970 119.600 -0.205 0.000 2.664 278 M HA 0.879 5.349 4.480 -0.016 0.000 0.314 278 M C 0.475 176.711 176.300 -0.106 0.000 1.200 278 M CA -0.540 54.675 55.300 -0.142 0.000 0.916 278 M CB 1.964 34.504 32.600 -0.101 0.000 1.717 278 M HN 0.020 nan 8.290 nan 0.000 0.470 279 S N 1.272 116.932 115.700 -0.066 0.000 2.298 279 S HA 0.780 5.240 4.470 -0.016 0.000 0.245 279 S C -0.192 174.457 174.600 0.081 0.000 1.230 279 S CA -0.707 57.481 58.200 -0.020 0.000 1.009 279 S CB 0.331 63.497 63.200 -0.058 0.000 1.019 279 S HN 0.698 nan 8.310 nan 0.000 0.459 280 L N 0.020 121.300 121.223 0.094 0.000 2.794 280 L HA 0.305 4.635 4.340 -0.016 0.000 0.261 280 L C -1.478 175.539 176.870 0.244 0.000 0.989 280 L CA -0.931 54.052 54.840 0.238 0.000 0.900 280 L CB 1.248 43.408 42.059 0.168 0.000 1.473 280 L HN 0.307 nan 8.230 nan 0.000 0.414 281 L N 1.302 122.786 121.223 0.435 0.000 2.461 281 L HA 0.089 4.419 4.340 -0.016 0.000 0.272 281 L C 0.348 177.493 176.870 0.458 0.000 1.197 281 L CA 0.593 55.696 54.840 0.438 0.000 0.836 281 L CB 0.340 42.700 42.059 0.502 0.000 1.105 281 L HN 0.607 nan 8.230 nan 0.000 0.477 282 D N 2.555 123.150 120.400 0.326 0.000 2.563 282 D HA 0.036 4.666 4.640 -0.016 0.000 0.222 282 D C 0.959 177.366 176.300 0.178 0.000 1.145 282 D CA -0.175 53.974 54.000 0.249 0.000 1.001 282 D CB 0.246 41.039 40.800 -0.011 0.000 1.049 282 D HN 0.331 nan 8.370 nan 0.000 0.515 283 F N 1.046 121.216 119.950 0.368 0.000 2.293 283 F HA -0.055 4.462 4.527 -0.016 0.000 0.300 283 F C 2.590 178.421 175.800 0.052 0.000 1.086 283 F CA 0.645 58.752 58.000 0.178 0.000 1.375 283 F CB 0.011 39.062 39.000 0.085 0.000 1.045 283 F HN 0.253 nan 8.300 nan 0.000 0.516 284 R N -0.420 120.252 120.500 0.287 0.000 2.096 284 R HA -0.221 4.109 4.340 -0.016 0.000 0.235 284 R C 2.250 178.680 176.300 0.217 0.000 1.127 284 R CA 1.695 57.918 56.100 0.205 0.000 0.968 284 R CB -0.579 29.901 30.300 0.301 0.000 0.861 284 R HN 0.345 nan 8.270 nan 0.000 0.440 285 F N 0.475 120.465 119.950 0.067 0.000 2.149 285 F HA 0.059 4.575 4.527 -0.018 0.000 0.294 285 F C 2.129 177.894 175.800 -0.059 0.000 1.095 285 F CA 1.260 59.273 58.000 0.021 0.000 1.276 285 F CB -0.263 38.725 39.000 -0.020 0.000 1.023 285 F HN 0.086 nan 8.300 nan 0.000 0.480 286 A N 0.161 122.998 122.820 0.030 0.000 1.902 286 A HA -0.193 4.117 4.320 -0.016 0.000 0.217 286 A C 2.120 179.690 177.584 -0.023 0.000 1.181 286 A CA 1.590 53.528 52.037 -0.165 0.000 0.623 286 A CB -0.721 17.793 19.000 -0.810 0.000 0.818 286 A HN 0.496 nan 8.150 nan 0.000 0.443 287 Q N -0.417 119.391 119.800 0.013 0.000 2.084 287 Q HA -0.177 4.153 4.340 -0.016 0.000 0.202 287 Q C 2.068 178.060 176.000 -0.013 0.000 0.978 287 Q CA 1.868 57.689 55.803 0.030 0.000 0.844 287 Q CB -0.386 28.374 28.738 0.037 0.000 0.898 287 Q HN 0.606 nan 8.270 nan 0.000 0.426 288 K N 0.981 121.350 120.400 -0.050 0.000 2.062 288 K HA 0.008 4.318 4.320 -0.016 0.000 0.205 288 K C 1.917 178.422 176.600 -0.158 0.000 1.051 288 K CA 1.245 57.467 56.287 -0.108 0.000 0.941 288 K CB -0.539 31.887 32.500 -0.123 0.000 0.719 288 K HN 0.132 nan 8.250 nan 0.000 0.440 289 A N 1.082 123.810 122.820 -0.153 0.000 1.892 289 A HA -0.219 4.091 4.320 -0.016 0.000 0.218 289 A C 2.124 179.797 177.584 0.149 0.000 1.188 289 A CA 1.929 53.948 52.037 -0.029 0.000 0.631 289 A CB -0.529 18.510 19.000 0.066 0.000 0.822 289 A HN 0.366 nan 8.150 nan 0.000 0.447 290 R N -0.758 119.823 120.500 0.135 0.000 2.092 290 R HA -0.127 4.203 4.340 -0.016 0.000 0.231 290 R C 2.433 178.727 176.300 -0.010 0.000 1.119 290 R CA 1.496 57.664 56.100 0.114 0.000 0.970 290 R CB -0.355 29.982 30.300 0.062 0.000 0.864 290 R HN 0.689 nan 8.270 nan 0.000 0.440 291 Q N 0.084 119.852 119.800 -0.053 0.000 2.170 291 Q HA -0.112 4.218 4.340 -0.016 0.000 0.203 291 Q C 2.097 178.016 176.000 -0.135 0.000 0.976 291 Q CA 1.393 57.143 55.803 -0.087 0.000 0.858 291 Q CB 0.160 28.845 28.738 -0.088 0.000 0.907 291 Q HN 0.199 nan 8.270 nan 0.000 0.433 292 V N -0.794 118.980 119.914 -0.233 0.000 2.374 292 V HA -0.107 4.004 4.120 -0.016 0.000 0.241 292 V C 1.571 177.459 176.094 -0.343 0.000 1.034 292 V CA 1.370 63.429 62.300 -0.400 0.000 1.037 292 V CB -0.350 31.017 31.823 -0.760 0.000 0.682 292 V HN 0.255 nan 8.190 nan 0.000 0.463 293 F N -0.375 119.570 119.950 -0.007 0.000 2.569 293 F HA 0.142 4.660 4.527 -0.015 0.000 0.295 293 F C 2.443 178.363 175.800 0.200 0.000 1.115 293 F CA 0.934 59.005 58.000 0.119 0.000 1.450 293 F CB 0.130 39.245 39.000 0.193 0.000 1.107 293 F HN -0.046 nan 8.300 nan 0.000 0.563 294 R N 0.258 120.859 120.500 0.168 0.000 2.055 294 R HA 0.018 4.349 4.340 -0.016 0.000 0.190 294 R C 1.468 177.695 176.300 -0.122 0.000 1.443 294 R CA 0.691 56.689 56.100 -0.169 0.000 1.188 294 R CB -0.207 29.652 30.300 -0.736 0.000 1.068 294 R HN -0.044 nan 8.270 nan 0.000 0.475 295 D N 0.612 120.940 120.400 -0.121 0.000 2.183 295 D HA -0.102 4.529 4.640 -0.016 0.000 0.203 295 D C 0.158 176.425 176.300 -0.056 0.000 0.969 295 D CA 0.906 54.854 54.000 -0.086 0.000 0.842 295 D CB -0.243 40.509 40.800 -0.080 0.000 0.957 295 D HN 0.302 nan 8.370 nan 0.000 0.484 296 N N -0.335 118.331 118.700 -0.057 0.000 2.816 296 N HA -0.154 4.577 4.740 -0.016 0.000 0.247 296 N C -0.068 175.411 175.510 -0.052 0.000 1.100 296 N CA 1.105 54.123 53.050 -0.053 0.000 0.687 296 N CB -1.792 36.678 38.487 -0.030 0.000 1.003 296 N HN 0.240 nan 8.380 nan 0.000 0.554 297 T N -3.680 110.838 114.554 -0.060 0.000 3.176 297 T HA 0.389 4.729 4.350 -0.016 0.000 0.263 297 T C 0.002 174.668 174.700 -0.057 0.000 1.021 297 T CA -0.024 62.046 62.100 -0.050 0.000 0.905 297 T CB 0.626 69.469 68.868 -0.043 0.000 1.057 297 T HN 0.283 nan 8.240 nan 0.000 0.558 298 D N 0.695 121.050 120.400 -0.075 0.000 2.742 298 D HA 0.258 4.888 4.640 -0.016 0.000 0.262 298 D C -1.460 174.776 176.300 -0.106 0.000 1.240 298 D CA -0.431 53.521 54.000 -0.081 0.000 0.752 298 D CB 1.703 42.446 40.800 -0.095 0.000 1.290 298 D HN 0.333 nan 8.370 nan 0.000 0.420 299 N N -0.248 118.402 118.700 -0.083 0.000 2.989 299 N HA 0.303 5.033 4.740 -0.016 0.000 0.338 299 N C 1.015 176.435 175.510 -0.150 0.000 1.369 299 N CA -0.475 52.519 53.050 -0.094 0.000 0.794 299 N CB 0.184 38.670 38.487 -0.001 0.000 1.359 299 N HN 0.193 nan 8.380 nan 0.000 0.609 300 M N -0.991 118.504 119.600 -0.175 0.000 2.446 300 M HA -0.015 4.455 4.480 -0.016 0.000 0.263 300 M C 0.915 177.027 176.300 -0.313 0.000 1.066 300 M CA 1.277 56.407 55.300 -0.283 0.000 1.087 300 M CB -1.310 31.114 32.600 -0.293 0.000 1.406 300 M HN 0.522 nan 8.290 nan 0.000 0.459 301 Y N -0.104 120.129 120.300 -0.112 0.000 2.439 301 Y HA -0.009 4.532 4.550 -0.016 0.000 0.292 301 Y C 2.503 178.350 175.900 -0.087 0.000 1.130 301 Y CA 1.125 59.172 58.100 -0.088 0.000 1.254 301 Y CB -0.653 37.760 38.460 -0.078 0.000 1.000 301 Y HN 0.296 nan 8.280 nan 0.000 0.554 302 G N -0.475 108.326 108.800 0.002 0.000 2.396 302 G HA2 -0.147 3.804 3.960 -0.016 0.000 0.214 302 G HA3 -0.147 3.804 3.960 -0.016 0.000 0.214 302 G C 1.643 176.492 174.900 -0.085 0.000 1.166 302 G CA 0.345 45.422 45.100 -0.039 0.000 0.793 302 G HN 0.293 nan 8.290 nan 0.000 0.533 303 L N 0.281 121.406 121.223 -0.164 0.000 1.989 303 L HA -0.105 4.226 4.340 -0.016 0.000 0.211 303 L C 2.886 179.695 176.870 -0.103 0.000 1.071 303 L CA 1.893 56.616 54.840 -0.195 0.000 0.749 303 L CB -0.318 41.543 42.059 -0.329 0.000 0.890 303 L HN 0.268 nan 8.230 nan 0.000 0.431 304 K N 0.020 120.356 120.400 -0.106 0.000 2.044 304 K HA -0.259 4.051 4.320 -0.016 0.000 0.210 304 K C 1.971 178.572 176.600 0.003 0.000 1.049 304 K CA 1.754 58.010 56.287 -0.052 0.000 0.927 304 K CB -0.137 32.315 32.500 -0.080 0.000 0.713 304 K HN 0.333 nan 8.250 nan 0.000 0.443 305 A N 1.380 124.205 122.820 0.009 0.000 1.930 305 A HA -0.158 4.152 4.320 -0.016 0.000 0.217 305 A C 2.142 179.743 177.584 0.028 0.000 1.175 305 A CA 1.507 53.559 52.037 0.025 0.000 0.627 305 A CB -0.522 18.492 19.000 0.023 0.000 0.815 305 A HN 0.492 nan 8.150 nan 0.000 0.443 306 M N -0.164 119.448 119.600 0.020 0.000 2.099 306 M HA -0.034 4.437 4.480 -0.016 0.000 0.262 306 M C 2.010 178.373 176.300 0.105 0.000 1.067 306 M CA 1.644 56.975 55.300 0.052 0.000 1.124 306 M CB -0.894 31.719 32.600 0.023 0.000 1.353 306 M HN 0.410 nan 8.290 nan 0.000 0.410 307 L N 0.262 121.541 121.223 0.094 0.000 2.042 307 L HA -0.250 4.080 4.340 -0.016 0.000 0.210 307 L C 2.325 179.272 176.870 0.128 0.000 1.076 307 L CA 1.677 56.598 54.840 0.136 0.000 0.749 307 L CB -0.590 41.525 42.059 0.094 0.000 0.893 307 L HN 0.393 nan 8.230 nan 0.000 0.432 308 E N -0.610 119.646 120.200 0.093 0.000 2.112 308 E HA -0.100 4.240 4.350 -0.016 0.000 0.190 308 E C 2.206 178.848 176.600 0.071 0.000 0.979 308 E CA 0.854 57.305 56.400 0.085 0.000 0.814 308 E CB -0.236 29.507 29.700 0.071 0.000 0.762 308 E HN 0.540 nan 8.360 nan 0.000 0.460 309 G N 0.921 109.755 108.800 0.058 0.000 2.408 309 G HA2 -0.221 3.729 3.960 -0.016 0.000 0.217 309 G HA3 -0.221 3.729 3.960 -0.016 0.000 0.217 309 G C 1.694 176.610 174.900 0.026 0.000 1.150 309 G CA 0.625 45.738 45.100 0.023 0.000 0.776 309 G HN 0.117 nan 8.290 nan 0.000 0.542 310 S N 0.755 116.526 115.700 0.120 0.000 2.351 310 S HA -0.136 4.324 4.470 -0.016 0.000 0.220 310 S C 2.113 176.882 174.600 0.281 0.000 1.035 310 S CA 1.425 59.778 58.200 0.255 0.000 1.031 310 S CB -0.340 63.119 63.200 0.432 0.000 0.928 310 S HN 0.556 nan 8.310 nan 0.000 0.433 311 E N 0.180 120.508 120.200 0.212 0.000 2.333 311 E HA -0.125 4.215 4.350 -0.016 0.000 0.200 311 E C 1.730 178.392 176.600 0.103 0.000 1.010 311 E CA 0.983 57.480 56.400 0.162 0.000 0.841 311 E CB -0.112 29.660 29.700 0.119 0.000 0.757 311 E HN 0.322 nan 8.360 nan 0.000 0.508 312 V N 0.948 120.895 119.914 0.054 0.000 3.085 312 V HA -0.084 4.026 4.120 -0.016 0.000 0.245 312 V C 1.387 177.455 176.094 -0.044 0.000 1.114 312 V CA 1.041 63.343 62.300 0.004 0.000 1.108 312 V CB 0.124 31.939 31.823 -0.013 0.000 0.798 312 V HN 0.097 nan 8.190 nan 0.000 0.471 313 D N -0.934 119.394 120.400 -0.120 0.000 2.249 313 D HA -0.009 4.621 4.640 -0.016 0.000 0.205 313 D C 0.146 176.340 176.300 -0.177 0.000 0.962 313 D CA 0.711 54.528 54.000 -0.305 0.000 0.860 313 D CB 0.071 40.444 40.800 -0.712 0.000 0.955 313 D HN 0.401 nan 8.370 nan 0.000 0.505 314 Y N 0.665 120.983 120.300 0.030 0.000 2.404 314 Y HA 0.399 4.939 4.550 -0.016 0.000 0.344 314 Y C 1.306 177.222 175.900 0.026 0.000 0.970 314 Y CA -0.918 57.229 58.100 0.078 0.000 1.180 314 Y CB 1.361 39.882 38.460 0.100 0.000 1.138 314 Y HN -0.158 nan 8.280 nan 0.000 0.510 315 A N 3.010 125.930 122.820 0.168 0.000 1.986 315 A HA -0.204 4.106 4.320 -0.016 0.000 0.220 315 A C 0.757 178.360 177.584 0.031 0.000 1.171 315 A CA 1.537 53.614 52.037 0.067 0.000 0.640 315 A CB -0.218 18.813 19.000 0.053 0.000 0.811 315 A HN 0.754 nan 8.150 nan 0.000 0.451 316 Q N -1.764 118.086 119.800 0.083 0.000 3.255 316 Q HA 0.373 4.704 4.340 -0.016 0.000 0.231 316 Q C 0.227 176.254 176.000 0.045 0.000 0.935 316 Q CA -0.107 55.734 55.803 0.063 0.000 0.714 316 Q CB 1.298 30.110 28.738 0.123 0.000 1.345 316 Q HN 0.096 nan 8.270 nan 0.000 0.463 317 V N 1.521 121.458 119.914 0.039 0.000 2.867 317 V HA -0.173 3.937 4.120 -0.016 0.000 0.260 317 V C 0.988 177.012 176.094 -0.117 0.000 1.099 317 V CA 1.662 63.913 62.300 -0.082 0.000 1.122 317 V CB 0.046 31.892 31.823 0.037 0.000 0.708 317 V HN 0.705 nan 8.190 nan 0.000 0.490 318 N N 0.219 118.908 118.700 -0.018 0.000 2.461 318 N HA -0.027 4.703 4.740 -0.016 0.000 0.188 318 N C 0.700 176.184 175.510 -0.044 0.000 1.134 318 N CA 0.704 53.737 53.050 -0.028 0.000 0.878 318 N CB 0.052 38.582 38.487 0.073 0.000 0.972 318 N HN 0.517 nan 8.380 nan 0.000 0.456 319 D N 0.250 120.639 120.400 -0.017 0.000 2.424 319 D HA 0.086 4.716 4.640 -0.016 0.000 0.220 319 D C -0.200 176.087 176.300 -0.022 0.000 1.150 319 D CA 0.113 54.146 54.000 0.055 0.000 0.831 319 D CB 0.494 41.386 40.800 0.155 0.000 0.981 319 D HN 0.057 nan 8.370 nan 0.000 0.500 320 Q N 0.633 120.325 119.800 -0.180 0.000 2.271 320 Q HA 0.320 4.650 4.340 -0.016 0.000 0.258 320 Q C -0.059 175.784 176.000 -0.261 0.000 0.936 320 Q CA -0.667 54.977 55.803 -0.265 0.000 0.909 320 Q CB 2.690 31.139 28.738 -0.482 0.000 1.253 320 Q HN -0.113 nan 8.270 nan 0.000 0.440 321 V N 3.096 122.851 119.914 -0.265 0.000 2.455 321 V HA 0.273 4.383 4.120 -0.016 0.000 0.273 321 V C 0.737 176.787 176.094 -0.073 0.000 1.045 321 V CA -0.228 61.917 62.300 -0.258 0.000 0.976 321 V CB 0.654 32.162 31.823 -0.526 0.000 0.993 321 V HN 0.900 nan 8.190 nan 0.000 0.475 322 T N 2.506 116.976 114.554 -0.140 0.000 2.948 322 T HA 0.936 5.276 4.350 -0.016 0.000 0.285 322 T C -0.705 174.063 174.700 0.114 0.000 1.019 322 T CA -0.626 61.322 62.100 -0.253 0.000 1.013 322 T CB 2.042 70.415 68.868 -0.825 0.000 1.117 322 T HN 0.828 nan 8.240 nan 0.000 0.533 323 F N -1.522 118.440 119.950 0.020 0.000 2.878 323 F HA 0.472 4.987 4.527 -0.020 0.000 0.322 323 F C -0.139 175.792 175.800 0.218 0.000 1.154 323 F CA -1.289 56.780 58.000 0.116 0.000 0.896 323 F CB 0.450 39.514 39.000 0.107 0.000 1.313 323 F HN 0.577 nan 8.300 nan 0.000 0.451 324 I N -1.637 119.137 120.570 0.339 0.000 4.187 324 I HA 0.450 4.610 4.170 -0.016 0.000 0.326 324 I C -0.806 175.589 176.117 0.463 0.000 1.302 324 I CA 0.139 61.636 61.300 0.330 0.000 1.196 324 I CB 0.572 38.713 38.000 0.234 0.000 1.095 324 I HN 0.626 nan 8.210 nan 0.000 0.411 325 D N 0.886 121.593 120.400 0.511 0.000 2.683 325 D HA 0.362 4.992 4.640 -0.016 0.000 0.246 325 D C -1.179 175.201 176.300 0.134 0.000 1.238 325 D CA -0.628 53.582 54.000 0.349 0.000 0.759 325 D CB 0.804 41.765 40.800 0.268 0.000 1.349 325 D HN 0.464 nan 8.370 nan 0.000 0.426 326 N N -2.224 116.359 118.700 -0.195 0.000 3.378 326 N HA 0.163 4.893 4.740 -0.016 0.000 0.294 326 N C 0.829 175.894 175.510 -0.741 0.000 1.544 326 N CA -0.809 51.884 53.050 -0.596 0.000 0.872 326 N CB 0.632 38.913 38.487 -0.343 0.000 1.670 326 N HN 0.472 nan 8.380 nan 0.000 0.551 327 H N -1.139 117.508 119.070 -0.705 0.000 2.489 327 H HA -0.024 4.521 4.556 -0.018 0.000 0.295 327 H C -0.217 175.072 175.328 -0.066 0.000 1.082 327 H CA 1.397 57.271 56.048 -0.291 0.000 1.295 327 H CB -0.433 29.443 29.762 0.190 0.000 1.380 327 H HN 0.547 nan 8.280 nan 0.000 0.548 328 D N 0.745 120.836 120.400 -0.514 0.000 2.358 328 D HA 0.178 4.808 4.640 -0.016 0.000 0.224 328 D C 0.603 176.974 176.300 0.119 0.000 1.123 328 D CA 0.112 54.009 54.000 -0.171 0.000 0.833 328 D CB 0.169 40.969 40.800 -0.000 0.000 0.946 328 D HN 0.604 nan 8.370 nan 0.000 0.505 329 M N -1.212 118.412 119.600 0.040 0.000 2.534 329 M HA 0.357 4.827 4.480 -0.016 0.000 0.280 329 M C -0.900 175.415 176.300 0.026 0.000 1.217 329 M CA -1.074 54.293 55.300 0.112 0.000 0.893 329 M CB 2.138 34.880 32.600 0.238 0.000 1.730 329 M HN -0.249 nan 8.290 nan 0.000 0.483 330 E N 1.110 121.335 120.200 0.042 0.000 2.418 330 E HA 0.299 4.639 4.350 -0.016 0.000 0.261 330 E C -0.708 175.917 176.600 0.041 0.000 1.070 330 E CA -0.684 55.729 56.400 0.022 0.000 0.931 330 E CB 0.601 30.310 29.700 0.015 0.000 0.954 330 E HN 0.495 nan 8.360 nan 0.000 0.439 331 R N 0.695 121.227 120.500 0.053 0.000 2.817 331 R HA -0.037 4.293 4.340 -0.016 0.000 0.264 331 R C 0.378 176.769 176.300 0.150 0.000 1.009 331 R CA 0.261 56.432 56.100 0.119 0.000 1.133 331 R CB -0.071 30.307 30.300 0.129 0.000 1.013 331 R HN 0.732 nan 8.270 nan 0.000 0.453 332 F N 0.797 120.812 119.950 0.108 0.000 2.118 332 F HA -0.037 4.473 4.527 -0.029 0.000 0.293 332 F C 1.165 177.051 175.800 0.144 0.000 1.102 332 F CA 1.064 59.138 58.000 0.124 0.000 1.247 332 F CB -0.063 39.019 39.000 0.135 0.000 1.017 332 F HN 0.455 nan 8.300 nan 0.000 0.475 333 H N 1.339 120.648 119.070 0.397 0.000 2.722 333 H HA 0.174 4.701 4.556 -0.049 0.000 0.328 333 H C -0.525 174.896 175.328 0.155 0.000 1.067 333 H CA 0.397 56.623 56.048 0.297 0.000 1.447 333 H CB 0.769 30.711 29.762 0.300 0.000 1.469 333 H HN 0.227 nan 8.280 nan 0.000 0.544 334 T N 1.434 115.742 114.554 -0.409 0.000 2.945 334 T HA 0.247 4.588 4.350 -0.016 0.000 0.286 334 T C 0.054 174.475 174.700 -0.465 0.000 1.025 334 T CA -0.970 60.943 62.100 -0.312 0.000 1.039 334 T CB 1.095 69.860 68.868 -0.171 0.000 1.068 334 T HN 0.586 nan 8.240 nan 0.000 0.497 335 S N 2.384 117.964 115.700 -0.201 0.000 2.571 335 S HA 0.098 4.558 4.470 -0.016 0.000 0.297 335 S C 0.547 175.088 174.600 -0.098 0.000 1.234 335 S CA -0.535 57.600 58.200 -0.107 0.000 1.120 335 S CB -0.867 62.310 63.200 -0.038 0.000 0.923 335 S HN 0.863 nan 8.310 nan 0.000 0.504 336 N N 0.857 119.525 118.700 -0.053 0.000 2.776 336 N HA -0.115 4.615 4.740 -0.016 0.000 0.249 336 N C 0.395 175.901 175.510 -0.008 0.000 1.111 336 N CA 0.951 54.004 53.050 0.004 0.000 0.711 336 N CB -1.379 37.112 38.487 0.006 0.000 1.065 336 N HN 0.935 nan 8.380 nan 0.000 0.556 337 G N -0.168 108.584 108.800 -0.080 0.000 2.557 337 G HA2 0.346 4.297 3.960 -0.016 0.000 0.292 337 G HA3 0.346 4.297 3.960 -0.016 0.000 0.292 337 G C -0.456 174.545 174.900 0.168 0.000 1.237 337 G CA -0.191 44.900 45.100 -0.016 0.000 0.978 337 G HN 0.154 nan 8.290 nan 0.000 0.498 338 D N -0.946 119.563 120.400 0.182 0.000 2.365 338 D HA 0.221 4.851 4.640 -0.016 0.000 0.237 338 D C 1.717 178.193 176.300 0.294 0.000 1.190 338 D CA -0.218 53.903 54.000 0.202 0.000 0.867 338 D CB 0.730 41.621 40.800 0.151 0.000 1.050 338 D HN 0.303 nan 8.370 nan 0.000 0.491 339 R N 2.277 122.939 120.500 0.269 0.000 2.117 339 R HA -0.200 4.131 4.340 -0.016 0.000 0.243 339 R C 1.686 178.133 176.300 0.245 0.000 1.143 339 R CA 0.930 57.194 56.100 0.274 0.000 0.968 339 R CB -0.001 30.355 30.300 0.094 0.000 0.863 339 R HN 0.248 nan 8.270 nan 0.000 0.444 340 R N 1.504 122.109 120.500 0.175 0.000 2.200 340 R HA -0.098 4.232 4.340 -0.016 0.000 0.234 340 R C 1.543 177.921 176.300 0.130 0.000 1.127 340 R CA 1.527 57.705 56.100 0.131 0.000 0.989 340 R CB -0.089 30.275 30.300 0.107 0.000 0.869 340 R HN 0.137 nan 8.270 nan 0.000 0.459 341 K N -0.613 119.913 120.400 0.211 0.000 2.025 341 K HA -0.117 4.193 4.320 -0.016 0.000 0.207 341 K C 1.822 178.496 176.600 0.123 0.000 1.049 341 K CA 1.358 57.815 56.287 0.283 0.000 0.933 341 K CB -0.265 32.510 32.500 0.457 0.000 0.714 341 K HN 0.105 nan 8.250 nan 0.000 0.438 342 L N 2.048 123.330 121.223 0.099 0.000 1.994 342 L HA -0.177 4.153 4.340 -0.016 0.000 0.208 342 L C 1.785 178.484 176.870 -0.284 0.000 1.071 342 L CA 1.835 56.503 54.840 -0.288 0.000 0.745 342 L CB -0.366 41.672 42.059 -0.036 0.000 0.892 342 L HN 0.131 nan 8.230 nan 0.000 0.431 343 E N -0.764 119.376 120.200 -0.099 0.000 2.049 343 E HA -0.307 4.033 4.350 -0.016 0.000 0.198 343 E C 2.187 178.700 176.600 -0.145 0.000 1.007 343 E CA 1.943 58.290 56.400 -0.088 0.000 0.809 343 E CB -0.262 29.448 29.700 0.016 0.000 0.749 343 E HN 0.637 nan 8.360 nan 0.000 0.450 344 Q N -0.014 119.692 119.800 -0.156 0.000 2.050 344 Q HA -0.170 4.160 4.340 -0.016 0.000 0.202 344 Q C 2.326 178.038 176.000 -0.479 0.000 0.980 344 Q CA 1.362 57.016 55.803 -0.249 0.000 0.840 344 Q CB -0.230 28.384 28.738 -0.206 0.000 0.898 344 Q HN 0.277 nan 8.270 nan 0.000 0.424 345 A N 0.576 123.022 122.820 -0.624 0.000 1.972 345 A HA -0.170 4.140 4.320 -0.016 0.000 0.219 345 A C 1.991 179.401 177.584 -0.290 0.000 1.169 345 A CA 1.009 52.654 52.037 -0.654 0.000 0.635 345 A CB -0.435 18.175 19.000 -0.650 0.000 0.810 345 A HN 0.243 nan 8.150 nan 0.000 0.446 346 L N -0.467 120.584 121.223 -0.286 0.000 2.027 346 L HA -0.057 4.273 4.340 -0.016 0.000 0.206 346 L C 2.886 179.696 176.870 -0.099 0.000 1.074 346 L CA 1.944 56.685 54.840 -0.166 0.000 0.745 346 L CB -1.064 40.890 42.059 -0.176 0.000 0.898 346 L HN 0.383 nan 8.230 nan 0.000 0.433 347 A N -1.629 121.127 122.820 -0.107 0.000 1.969 347 A HA -0.258 4.053 4.320 -0.016 0.000 0.218 347 A C 2.239 179.828 177.584 0.009 0.000 1.169 347 A CA 1.585 53.584 52.037 -0.062 0.000 0.635 347 A CB -0.919 18.039 19.000 -0.070 0.000 0.810 347 A HN 0.447 nan 8.150 nan 0.000 0.445 348 F N 1.118 120.988 119.950 -0.133 0.000 2.259 348 F HA -0.052 4.464 4.527 -0.019 0.000 0.298 348 F C 2.257 178.128 175.800 0.119 0.000 1.088 348 F CA 1.993 59.991 58.000 -0.004 0.000 1.358 348 F CB -0.417 38.484 39.000 -0.165 0.000 1.040 348 F HN 0.172 nan 8.300 nan 0.000 0.505 349 T N 1.333 115.875 114.554 -0.020 0.000 2.857 349 T HA -0.082 4.258 4.350 -0.016 0.000 0.266 349 T C 2.137 176.756 174.700 -0.135 0.000 1.048 349 T CA 1.544 63.621 62.100 -0.038 0.000 1.139 349 T CB -0.384 68.524 68.868 0.067 0.000 0.874 349 T HN 0.229 nan 8.240 nan 0.000 0.455 350 L N 1.380 122.546 121.223 -0.095 0.000 2.093 350 L HA -0.037 4.293 4.340 -0.016 0.000 0.208 350 L C 2.683 179.486 176.870 -0.110 0.000 1.085 350 L CA 1.339 56.120 54.840 -0.099 0.000 0.755 350 L CB -0.874 41.137 42.059 -0.080 0.000 0.904 350 L HN 0.378 nan 8.230 nan 0.000 0.435 351 T N -4.367 110.133 114.554 -0.090 0.000 3.219 351 T HA 0.155 4.496 4.350 -0.016 0.000 0.249 351 T C 0.626 175.313 174.700 -0.021 0.000 1.099 351 T CA -0.237 61.832 62.100 -0.052 0.000 0.988 351 T CB 0.055 68.915 68.868 -0.014 0.000 0.999 351 T HN 0.019 nan 8.240 nan 0.000 0.550 352 S N 1.163 116.781 115.700 -0.137 0.000 2.648 352 S HA 0.614 5.074 4.470 -0.016 0.000 0.305 352 S C 0.124 174.615 174.600 -0.182 0.000 1.094 352 S CA -1.271 56.835 58.200 -0.156 0.000 0.983 352 S CB 1.513 64.507 63.200 -0.343 0.000 1.101 352 S HN 0.646 nan 8.310 nan 0.000 0.514 353 R N 0.628 121.046 120.500 -0.138 0.000 2.861 353 R HA 0.542 4.872 4.340 -0.016 0.000 0.268 353 R C 0.827 176.966 176.300 -0.268 0.000 1.027 353 R CA 0.098 56.103 56.100 -0.159 0.000 1.163 353 R CB -0.626 29.630 30.300 -0.073 0.000 1.060 353 R HN 0.968 nan 8.270 nan 0.000 0.483 354 G N -0.861 107.792 108.800 -0.244 0.000 2.728 354 G HA2 -0.173 3.777 3.960 -0.016 0.000 0.294 354 G HA3 -0.173 3.777 3.960 -0.016 0.000 0.294 354 G C -1.003 173.734 174.900 -0.271 0.000 1.342 354 G CA -0.476 44.457 45.100 -0.278 0.000 0.866 354 G HN 0.609 nan 8.290 nan 0.000 0.534 355 V N 3.042 122.806 119.914 -0.251 0.000 2.304 355 V HA 0.451 4.561 4.120 -0.016 0.000 0.269 355 V C -1.496 174.495 176.094 -0.170 0.000 1.036 355 V CA -0.867 61.306 62.300 -0.211 0.000 0.840 355 V CB 1.249 32.948 31.823 -0.206 0.000 1.036 355 V HN 0.692 nan 8.190 nan 0.000 0.466 356 P HA 0.322 nan 4.420 nan 0.000 0.271 356 P C -0.598 176.730 177.300 0.047 0.000 1.216 356 P CA 0.095 63.152 63.100 -0.073 0.000 0.771 356 P CB 1.427 33.072 31.700 -0.092 0.000 0.864 357 A N 4.737 127.644 122.820 0.145 0.000 2.355 357 A HA 0.664 4.974 4.320 -0.016 0.000 0.317 357 A C -0.560 177.187 177.584 0.271 0.000 1.094 357 A CA -0.696 51.498 52.037 0.263 0.000 0.764 357 A CB 0.894 20.127 19.000 0.389 0.000 1.230 357 A HN 0.360 nan 8.150 nan 0.000 0.448 358 I N 2.243 122.960 120.570 0.246 0.000 2.362 358 I HA 0.172 4.332 4.170 -0.016 0.000 0.289 358 I C -0.652 175.517 176.117 0.087 0.000 0.994 358 I CA -0.592 60.823 61.300 0.192 0.000 1.158 358 I CB 0.966 39.100 38.000 0.223 0.000 1.315 358 I HN 0.715 nan 8.210 nan 0.000 0.451 359 Y N 8.268 128.542 120.300 -0.043 0.000 2.496 359 Y HA 0.094 4.631 4.550 -0.021 0.000 0.334 359 Y C 0.365 176.071 175.900 -0.324 0.000 1.080 359 Y CA -0.625 57.382 58.100 -0.154 0.000 1.355 359 Y CB 0.097 38.504 38.460 -0.088 0.000 1.193 359 Y HN 0.492 nan 8.280 nan 0.000 0.523 360 Y N 4.167 123.927 120.300 -0.899 0.000 2.969 360 Y HA 0.230 4.774 4.550 -0.010 0.000 0.339 360 Y C 1.079 176.796 175.900 -0.304 0.000 1.272 360 Y CA 0.014 57.636 58.100 -0.798 0.000 1.577 360 Y CB -0.108 37.955 38.460 -0.662 0.000 1.234 360 Y HN 0.943 nan 8.280 nan 0.000 0.590 361 G N 1.980 110.779 108.800 -0.002 0.000 2.175 361 G HA2 -0.360 3.591 3.960 -0.016 0.000 0.244 361 G HA3 -0.360 3.591 3.960 -0.016 0.000 0.244 361 G C 1.090 175.972 174.900 -0.030 0.000 0.982 361 G CA 0.397 45.478 45.100 -0.032 0.000 0.641 361 G HN 0.771 nan 8.290 nan 0.000 0.527 362 S N 0.975 116.660 115.700 -0.024 0.000 2.370 362 S HA -0.109 4.351 4.470 -0.016 0.000 0.226 362 S C 2.121 176.630 174.600 -0.152 0.000 1.033 362 S CA 1.742 59.916 58.200 -0.044 0.000 1.011 362 S CB -0.237 62.962 63.200 -0.002 0.000 0.852 362 S HN 0.858 nan 8.310 nan 0.000 0.457 363 E N 0.752 120.943 120.200 -0.015 0.000 2.463 363 E HA -0.143 4.197 4.350 -0.016 0.000 0.201 363 E C 0.699 177.311 176.600 0.020 0.000 1.045 363 E CA 0.831 57.218 56.400 -0.021 0.000 0.872 363 E CB -0.150 29.682 29.700 0.221 0.000 0.797 363 E HN 0.390 nan 8.360 nan 0.000 0.538 364 Q N -0.181 119.657 119.800 0.062 0.000 2.179 364 Q HA 0.087 4.417 4.340 -0.016 0.000 0.213 364 Q C -0.628 175.539 176.000 0.278 0.000 0.833 364 Q CA -0.481 55.446 55.803 0.207 0.000 0.990 364 Q CB -0.231 28.597 28.738 0.150 0.000 1.132 364 Q HN 0.358 nan 8.270 nan 0.000 0.493 365 Y N -0.595 119.699 120.300 -0.009 0.000 3.078 365 Y HA -0.285 4.303 4.550 0.064 0.000 0.202 365 Y C 0.368 176.297 175.900 0.049 0.000 1.322 365 Y CA 0.092 58.130 58.100 -0.103 0.000 1.118 365 Y CB -2.158 36.095 38.460 -0.345 0.000 1.343 365 Y HN 0.209 nan 8.280 nan 0.000 0.499 366 M N 0.611 120.305 119.600 0.156 0.000 2.233 366 M HA 0.298 4.768 4.480 -0.016 0.000 0.350 366 M C 0.393 176.810 176.300 0.196 0.000 1.176 366 M CA 0.502 55.882 55.300 0.133 0.000 1.150 366 M CB 0.814 33.422 32.600 0.012 0.000 1.530 366 M HN 0.308 nan 8.290 nan 0.000 0.459 367 S N 1.048 116.848 115.700 0.166 0.000 2.566 367 S HA 0.949 5.409 4.470 -0.016 0.000 0.298 367 S C -0.282 174.360 174.600 0.069 0.000 1.083 367 S CA -0.871 57.409 58.200 0.134 0.000 0.978 367 S CB 2.159 65.425 63.200 0.109 0.000 1.073 367 S HN 0.959 nan 8.310 nan 0.000 0.491 368 G N -0.105 108.725 108.800 0.049 0.000 2.433 368 G HA2 0.512 4.463 3.960 -0.016 0.000 0.306 368 G HA3 0.512 4.463 3.960 -0.016 0.000 0.306 368 G C -0.184 174.726 174.900 0.017 0.000 1.627 368 G CA -0.257 44.859 45.100 0.026 0.000 0.893 368 G HN 0.879 nan 8.290 nan 0.000 0.648 369 G N 0.501 109.303 108.800 0.004 0.000 2.679 369 G HA2 0.395 4.345 3.960 -0.016 0.000 0.202 369 G HA3 0.395 4.345 3.960 -0.016 0.000 0.202 369 G C 0.305 175.203 174.900 -0.004 0.000 1.566 369 G CA -0.401 44.698 45.100 -0.002 0.000 1.074 369 G HN 0.648 nan 8.290 nan 0.000 0.564 370 N N 0.499 119.193 118.700 -0.009 0.000 2.445 370 N HA 0.133 4.863 4.740 -0.016 0.000 0.264 370 N C -0.240 175.258 175.510 -0.021 0.000 1.227 370 N CA -0.448 52.593 53.050 -0.015 0.000 0.963 370 N CB 0.870 39.346 38.487 -0.018 0.000 1.188 370 N HN 0.375 nan 8.380 nan 0.000 0.491 371 D N 0.995 121.379 120.400 -0.027 0.000 3.139 371 D HA -0.114 4.516 4.640 -0.016 0.000 0.212 371 D C -1.639 174.653 176.300 -0.013 0.000 1.084 371 D CA -0.193 53.796 54.000 -0.018 0.000 0.777 371 D CB 0.539 41.321 40.800 -0.029 0.000 1.156 371 D HN 0.331 nan 8.370 nan 0.000 0.537 372 P HA 0.152 nan 4.420 nan 0.000 0.263 372 P C 0.089 177.371 177.300 -0.030 0.000 1.448 372 P CA -0.213 62.884 63.100 -0.005 0.000 0.983 372 P CB 0.536 32.228 31.700 -0.013 0.000 1.481 373 D N 1.059 121.446 120.400 -0.022 0.000 2.309 373 D HA -0.128 4.502 4.640 -0.016 0.000 0.212 373 D C 1.632 177.928 176.300 -0.007 0.000 0.968 373 D CA 1.020 55.010 54.000 -0.018 0.000 0.882 373 D CB -0.097 40.695 40.800 -0.013 0.000 0.918 373 D HN 0.304 nan 8.370 nan 0.000 0.503 374 N N 0.804 119.500 118.700 -0.005 0.000 2.197 374 N HA -0.136 4.595 4.740 -0.016 0.000 0.184 374 N C 0.902 176.439 175.510 0.046 0.000 1.030 374 N CA 0.593 53.657 53.050 0.023 0.000 0.851 374 N CB -0.751 37.736 38.487 -0.001 0.000 1.003 374 N HN 0.084 nan 8.380 nan 0.000 0.430 375 R N 1.540 122.039 120.500 -0.001 0.000 4.559 375 R HA 0.431 4.761 4.340 -0.016 0.000 0.177 375 R C -0.375 175.944 176.300 0.032 0.000 1.875 375 R CA -0.287 55.804 56.100 -0.015 0.000 1.509 375 R CB -1.473 28.616 30.300 -0.350 0.000 1.395 375 R HN 0.249 nan 8.270 nan 0.000 0.830 376 A N 1.882 124.736 122.820 0.056 0.000 2.286 376 A HA 0.408 4.718 4.320 -0.016 0.000 0.286 376 A C 0.154 177.814 177.584 0.127 0.000 1.097 376 A CA -0.790 51.270 52.037 0.038 0.000 0.821 376 A CB 0.665 19.672 19.000 0.011 0.000 1.076 376 A HN 0.652 nan 8.150 nan 0.000 0.490 377 R N 0.660 121.200 120.500 0.066 0.000 2.590 377 R HA 0.177 4.507 4.340 -0.016 0.000 0.274 377 R C -0.589 175.755 176.300 0.073 0.000 1.061 377 R CA -0.562 55.588 56.100 0.083 0.000 1.081 377 R CB 0.135 30.441 30.300 0.010 0.000 0.984 377 R HN 0.586 nan 8.270 nan 0.000 0.448 378 L N 7.618 128.894 121.223 0.087 0.000 2.584 378 L HA 0.049 4.379 4.340 -0.016 0.000 0.272 378 L C -1.450 175.279 176.870 -0.234 0.000 1.195 378 L CA -0.890 53.910 54.840 -0.067 0.000 0.920 378 L CB 0.727 42.667 42.059 -0.198 0.000 1.173 378 L HN 0.699 nan 8.230 nan 0.000 0.489 379 P HA 0.000 nan 4.420 nan 0.000 0.211 379 P C 0.089 177.256 177.300 -0.222 0.000 1.191 379 P CA 0.454 63.465 63.100 -0.147 0.000 0.909 379 P CB 0.317 31.981 31.700 -0.061 0.000 0.770 380 S N -1.223 114.356 115.700 -0.202 0.000 2.722 380 S HA 0.487 4.948 4.470 -0.016 0.000 0.292 380 S C -0.193 174.209 174.600 -0.329 0.000 1.135 380 S CA -0.316 57.785 58.200 -0.166 0.000 1.003 380 S CB 0.608 63.791 63.200 -0.027 0.000 1.067 380 S HN -0.006 nan 8.310 nan 0.000 0.546 381 F N 0.950 120.839 119.950 -0.101 0.000 2.810 381 F HA 0.340 4.864 4.527 -0.004 0.000 0.353 381 F C 0.646 176.459 175.800 0.022 0.000 1.227 381 F CA -0.538 57.315 58.000 -0.246 0.000 1.210 381 F CB 0.058 38.826 39.000 -0.388 0.000 1.039 381 F HN 0.308 nan 8.300 nan 0.000 0.509 382 S N -0.126 115.692 115.700 0.197 0.000 2.572 382 S HA 0.097 4.557 4.470 -0.016 0.000 0.279 382 S C 1.338 175.910 174.600 -0.046 0.000 1.341 382 S CA 0.229 58.482 58.200 0.088 0.000 1.043 382 S CB 1.164 64.394 63.200 0.049 0.000 0.887 382 S HN 0.263 nan 8.310 nan 0.000 0.516 383 T N 1.042 115.436 114.554 -0.267 0.000 3.054 383 T HA 0.075 4.416 4.350 -0.016 0.000 0.255 383 T C 1.398 175.774 174.700 -0.541 0.000 1.035 383 T CA 0.330 61.918 62.100 -0.852 0.000 0.941 383 T CB -0.013 68.577 68.868 -0.463 0.000 1.026 383 T HN 0.806 nan 8.240 nan 0.000 0.533 384 T N 0.639 115.076 114.554 -0.195 0.000 3.214 384 T HA 0.178 4.518 4.350 -0.016 0.000 0.264 384 T C 0.766 175.497 174.700 0.051 0.000 1.012 384 T CA -0.546 61.532 62.100 -0.036 0.000 0.901 384 T CB -0.484 68.377 68.868 -0.013 0.000 1.070 384 T HN 0.315 nan 8.240 nan 0.000 0.561 385 T N -0.676 113.943 114.554 0.108 0.000 2.897 385 T HA 0.256 4.596 4.350 -0.016 0.000 0.294 385 T C 1.417 176.267 174.700 0.251 0.000 1.004 385 T CA -0.418 61.819 62.100 0.228 0.000 1.106 385 T CB 1.243 70.342 68.868 0.385 0.000 0.949 385 T HN 0.099 nan 8.240 nan 0.000 0.520 386 T N 2.106 116.803 114.554 0.239 0.000 2.803 386 T HA -0.101 4.239 4.350 -0.016 0.000 0.269 386 T C 2.316 177.123 174.700 0.179 0.000 1.052 386 T CA 1.306 63.519 62.100 0.188 0.000 1.136 386 T CB -0.595 68.371 68.868 0.163 0.000 0.864 386 T HN 0.845 nan 8.240 nan 0.000 0.467 387 A N 0.224 123.174 122.820 0.216 0.000 1.969 387 A HA -0.020 4.290 4.320 -0.016 0.000 0.218 387 A C 2.047 179.663 177.584 0.053 0.000 1.169 387 A CA 1.018 53.065 52.037 0.017 0.000 0.635 387 A CB -0.875 17.935 19.000 -0.316 0.000 0.810 387 A HN 0.555 nan 8.150 nan 0.000 0.445 388 Y N 0.165 120.471 120.300 0.010 0.000 2.224 388 Y HA -0.231 4.307 4.550 -0.020 0.000 0.289 388 Y C 2.587 178.470 175.900 -0.028 0.000 1.146 388 Y CA 2.253 60.343 58.100 -0.017 0.000 1.182 388 Y CB -0.179 38.285 38.460 0.007 0.000 0.983 388 Y HN 0.342 nan 8.280 nan 0.000 0.524 389 Q N -0.409 119.487 119.800 0.160 0.000 2.020 389 Q HA -0.163 4.167 4.340 -0.016 0.000 0.202 389 Q C 2.404 178.397 176.000 -0.011 0.000 0.982 389 Q CA 2.253 58.099 55.803 0.072 0.000 0.838 389 Q CB -0.773 28.015 28.738 0.083 0.000 0.899 389 Q HN 0.375 nan 8.270 nan 0.000 0.423 390 V N 0.588 120.496 119.914 -0.011 0.000 2.324 390 V HA -0.302 3.808 4.120 -0.016 0.000 0.250 390 V C 2.048 178.093 176.094 -0.081 0.000 1.060 390 V CA 1.965 64.239 62.300 -0.045 0.000 1.042 390 V CB -0.619 31.178 31.823 -0.044 0.000 0.650 390 V HN 0.356 nan 8.190 nan 0.000 0.450 391 I N -0.663 119.839 120.570 -0.112 0.000 2.193 391 I HA -0.262 3.898 4.170 -0.016 0.000 0.240 391 I C 2.631 178.643 176.117 -0.176 0.000 1.084 391 I CA 1.762 62.975 61.300 -0.146 0.000 1.365 391 I CB -0.599 37.290 38.000 -0.186 0.000 1.064 391 I HN 0.317 nan 8.210 nan 0.000 0.410 392 Q N 1.659 121.318 119.800 -0.235 0.000 2.152 392 Q HA -0.258 4.072 4.340 -0.016 0.000 0.206 392 Q C 2.076 178.003 176.000 -0.120 0.000 0.985 392 Q CA 1.863 57.537 55.803 -0.215 0.000 0.863 392 Q CB 0.079 28.693 28.738 -0.205 0.000 0.904 392 Q HN 0.471 nan 8.270 nan 0.000 0.422 393 K N -0.472 119.875 120.400 -0.088 0.000 2.167 393 K HA 0.010 4.320 4.320 -0.016 0.000 0.203 393 K C 1.917 178.474 176.600 -0.071 0.000 1.052 393 K CA 0.683 56.931 56.287 -0.064 0.000 0.956 393 K CB 0.266 32.739 32.500 -0.045 0.000 0.735 393 K HN 0.260 nan 8.250 nan 0.000 0.451 394 L N -0.300 120.873 121.223 -0.083 0.000 2.515 394 L HA 0.155 4.485 4.340 -0.016 0.000 0.223 394 L C 2.370 179.186 176.870 -0.089 0.000 1.079 394 L CA 0.138 54.927 54.840 -0.085 0.000 0.857 394 L CB -0.260 41.747 42.059 -0.086 0.000 1.050 394 L HN 0.077 nan 8.230 nan 0.000 0.476 395 A N 1.563 124.324 122.820 -0.097 0.000 1.883 395 A HA -0.137 4.173 4.320 -0.016 0.000 0.217 395 A C -0.093 177.434 177.584 -0.096 0.000 1.186 395 A CA 1.729 53.706 52.037 -0.099 0.000 0.624 395 A CB -1.778 17.156 19.000 -0.109 0.000 0.822 395 A HN 0.243 nan 8.150 nan 0.000 0.444 396 P HA -0.140 nan 4.420 nan 0.000 0.217 396 P C 1.114 178.367 177.300 -0.079 0.000 1.148 396 P CA 0.752 63.804 63.100 -0.080 0.000 0.828 396 P CB -0.121 31.539 31.700 -0.067 0.000 0.783 397 L N -0.789 120.387 121.223 -0.077 0.000 2.189 397 L HA -0.173 4.157 4.340 -0.016 0.000 0.214 397 L C 2.300 179.115 176.870 -0.091 0.000 1.097 397 L CA 1.746 56.541 54.840 -0.073 0.000 0.764 397 L CB -1.077 40.940 42.059 -0.071 0.000 0.900 397 L HN -0.029 nan 8.230 nan 0.000 0.436 398 R N -0.724 119.707 120.500 -0.115 0.000 2.189 398 R HA -0.100 4.231 4.340 -0.016 0.000 0.223 398 R C 1.971 178.176 176.300 -0.158 0.000 1.092 398 R CA 0.808 56.814 56.100 -0.157 0.000 0.989 398 R CB -0.133 30.060 30.300 -0.178 0.000 0.876 398 R HN 0.421 nan 8.270 nan 0.000 0.457 399 K N -0.519 119.809 120.400 -0.119 0.000 2.244 399 K HA 0.123 4.433 4.320 -0.016 0.000 0.200 399 K C 2.026 178.586 176.600 -0.067 0.000 1.052 399 K CA 0.634 56.862 56.287 -0.099 0.000 0.980 399 K CB 0.398 32.841 32.500 -0.095 0.000 0.838 399 K HN -0.034 nan 8.250 nan 0.000 0.481 400 S N 1.102 116.765 115.700 -0.061 0.000 2.377 400 S HA -0.077 4.384 4.470 -0.016 0.000 0.223 400 S C 0.740 175.320 174.600 -0.034 0.000 1.030 400 S CA 0.561 58.734 58.200 -0.044 0.000 0.970 400 S CB -0.170 63.005 63.200 -0.042 0.000 0.830 400 S HN 0.310 nan 8.310 nan 0.000 0.473 401 N N 2.109 120.786 118.700 -0.038 0.000 2.501 401 N HA 0.211 4.942 4.740 -0.016 0.000 0.245 401 N C -2.330 173.171 175.510 -0.015 0.000 0.974 401 N CA -2.013 51.026 53.050 -0.018 0.000 0.941 401 N CB 1.563 40.040 38.487 -0.017 0.000 1.122 401 N HN -0.002 nan 8.380 nan 0.000 0.507 402 P HA -0.047 nan 4.420 nan 0.000 0.234 402 P C 0.708 178.018 177.300 0.017 0.000 1.167 402 P CA 0.468 63.606 63.100 0.064 0.000 0.763 402 P CB 0.328 32.167 31.700 0.230 0.000 0.835 403 A N 0.421 123.294 122.820 0.088 0.000 1.897 403 A HA -0.073 4.238 4.320 -0.016 0.000 0.215 403 A C 2.251 179.841 177.584 0.010 0.000 1.181 403 A CA 0.929 53.039 52.037 0.122 0.000 0.620 403 A CB -1.245 17.839 19.000 0.140 0.000 0.821 403 A HN 0.110 nan 8.150 nan 0.000 0.443 404 I N -0.526 120.018 120.570 -0.042 0.000 2.439 404 I HA -0.188 3.972 4.170 -0.016 0.000 0.251 404 I C 2.855 178.859 176.117 -0.188 0.000 1.139 404 I CA 0.881 62.130 61.300 -0.086 0.000 1.438 404 I CB -0.240 37.706 38.000 -0.090 0.000 1.085 404 I HN 0.371 nan 8.210 nan 0.000 0.427 405 A N 0.215 122.862 122.820 -0.289 0.000 1.855 405 A HA -0.129 4.181 4.320 -0.016 0.000 0.213 405 A C 1.726 178.879 177.584 -0.718 0.000 1.195 405 A CA 1.400 53.099 52.037 -0.564 0.000 0.610 405 A CB -0.560 17.992 19.000 -0.745 0.000 0.837 405 A HN 0.456 nan 8.150 nan 0.000 0.444 406 Y N -0.526 119.540 120.300 -0.391 0.000 2.453 406 Y HA 0.348 4.889 4.550 -0.015 0.000 0.247 406 Y C 1.609 177.281 175.900 -0.380 0.000 1.124 406 Y CA -0.548 57.249 58.100 -0.505 0.000 1.243 406 Y CB 0.038 37.904 38.460 -0.990 0.000 1.213 406 Y HN 0.310 nan 8.280 nan 0.000 0.523 407 G N 1.075 109.815 108.800 -0.099 0.000 2.544 407 G HA2 0.292 4.242 3.960 -0.016 0.000 0.242 407 G HA3 0.292 4.242 3.960 -0.016 0.000 0.242 407 G C 0.237 175.216 174.900 0.131 0.000 1.247 407 G CA -0.255 44.917 45.100 0.119 0.000 0.840 407 G HN 0.241 nan 8.290 nan 0.000 0.578 408 S N -0.123 115.690 115.700 0.189 0.000 2.617 408 S HA 0.511 4.971 4.470 -0.016 0.000 0.259 408 S C 0.091 174.796 174.600 0.175 0.000 1.301 408 S CA -0.430 57.867 58.200 0.161 0.000 0.984 408 S CB 1.223 64.514 63.200 0.152 0.000 0.954 408 S HN 0.601 nan 8.310 nan 0.000 0.572 409 T N 1.190 115.853 114.554 0.181 0.000 2.791 409 T HA 0.376 4.716 4.350 -0.016 0.000 0.288 409 T C -0.787 174.084 174.700 0.285 0.000 0.999 409 T CA -0.366 61.874 62.100 0.234 0.000 0.952 409 T CB 0.334 69.312 68.868 0.183 0.000 0.938 409 T HN 0.779 nan 8.240 nan 0.000 0.444 410 H N 2.528 121.716 119.070 0.197 0.000 2.646 410 H HA 0.256 4.802 4.556 -0.016 0.000 0.328 410 H C -0.590 174.865 175.328 0.211 0.000 0.998 410 H CA -0.616 55.534 56.048 0.170 0.000 1.225 410 H CB 1.094 30.941 29.762 0.141 0.000 1.457 410 H HN 0.517 nan 8.280 nan 0.000 0.505 411 E N 4.864 125.118 120.200 0.090 0.000 2.166 411 E HA -0.001 4.340 4.350 -0.016 0.000 0.279 411 E C -0.021 176.445 176.600 -0.224 0.000 1.095 411 E CA -0.221 56.187 56.400 0.013 0.000 0.888 411 E CB 0.680 30.410 29.700 0.049 0.000 1.041 411 E HN 0.666 nan 8.360 nan 0.000 0.414 412 R N 3.518 123.946 120.500 -0.119 0.000 2.105 412 R HA 0.166 4.496 4.340 -0.016 0.000 0.214 412 R C -0.307 176.076 176.300 0.138 0.000 1.091 412 R CA 0.720 56.771 56.100 -0.082 0.000 1.007 412 R CB 0.074 30.386 30.300 0.020 0.000 0.912 412 R HN 0.566 nan 8.270 nan 0.000 0.450 413 W N -0.557 120.729 121.300 -0.024 0.000 3.097 413 W HA 0.536 5.186 4.660 -0.017 0.000 0.335 413 W C -1.373 175.129 176.519 -0.029 0.000 1.114 413 W CA -0.941 56.397 57.345 -0.013 0.000 1.231 413 W CB 1.061 30.525 29.460 0.007 0.000 1.388 413 W HN -0.146 nan 8.180 nan 0.000 0.485 414 I N 4.999 125.375 120.570 -0.323 0.000 3.002 414 I HA 0.632 4.792 4.170 -0.016 0.000 0.310 414 I C -0.938 174.836 176.117 -0.572 0.000 1.087 414 I CA -0.438 60.655 61.300 -0.344 0.000 1.017 414 I CB 2.019 39.751 38.000 -0.447 0.000 1.226 414 I HN 0.521 nan 8.210 nan 0.000 0.443 415 N N 2.367 120.839 118.700 -0.380 0.000 3.348 415 N HA 0.282 5.012 4.740 -0.016 0.000 0.233 415 N C -0.521 174.923 175.510 -0.110 0.000 1.440 415 N CA -0.476 52.459 53.050 -0.192 0.000 0.887 415 N CB 0.639 39.131 38.487 0.008 0.000 1.410 415 N HN 0.456 nan 8.380 nan 0.000 0.502 416 N N -0.186 118.552 118.700 0.063 0.000 2.289 416 N HA -0.008 4.722 4.740 -0.016 0.000 0.184 416 N C -0.480 175.035 175.510 0.008 0.000 1.016 416 N CA 1.216 54.317 53.050 0.085 0.000 0.872 416 N CB 0.072 38.617 38.487 0.096 0.000 0.973 416 N HN 0.480 nan 8.380 nan 0.000 0.433 417 D N -0.949 119.465 120.400 0.024 0.000 2.540 417 D HA 0.211 4.842 4.640 -0.016 0.000 0.229 417 D C -0.742 175.590 176.300 0.053 0.000 1.250 417 D CA 0.119 54.132 54.000 0.022 0.000 0.817 417 D CB 1.389 42.217 40.800 0.046 0.000 1.060 417 D HN -0.160 nan 8.370 nan 0.000 0.508 418 V N 1.594 121.554 119.914 0.076 0.000 2.733 418 V HA 0.469 4.579 4.120 -0.016 0.000 0.306 418 V C -0.757 175.433 176.094 0.160 0.000 1.084 418 V CA -0.810 61.585 62.300 0.159 0.000 0.905 418 V CB 3.208 35.208 31.823 0.294 0.000 1.010 418 V HN -0.054 nan 8.190 nan 0.000 0.424 419 I N 5.027 125.709 120.570 0.187 0.000 2.582 419 I HA 0.635 4.795 4.170 -0.016 0.000 0.292 419 I C -1.521 174.803 176.117 0.345 0.000 1.066 419 I CA -0.727 60.702 61.300 0.215 0.000 1.053 419 I CB 2.004 40.079 38.000 0.126 0.000 1.241 419 I HN 0.577 nan 8.210 nan 0.000 0.421 420 I N 8.046 128.839 120.570 0.372 0.000 2.468 420 I HA 0.329 4.489 4.170 -0.016 0.000 0.285 420 I C -1.381 174.940 176.117 0.339 0.000 1.039 420 I CA -0.556 60.936 61.300 0.320 0.000 1.074 420 I CB 1.547 39.721 38.000 0.289 0.000 1.228 420 I HN 0.442 nan 8.210 nan 0.000 0.436 421 Y N 3.885 124.269 120.300 0.139 0.000 2.602 421 Y HA 0.801 5.340 4.550 -0.018 0.000 0.342 421 Y C -0.676 175.293 175.900 0.115 0.000 1.029 421 Y CA -1.696 56.470 58.100 0.110 0.000 1.080 421 Y CB 0.963 39.507 38.460 0.140 0.000 1.284 421 Y HN 0.542 nan 8.280 nan 0.000 0.485 422 E N 1.554 121.864 120.200 0.182 0.000 2.272 422 E HA 0.547 4.887 4.350 -0.016 0.000 0.269 422 E C -1.237 175.486 176.600 0.206 0.000 0.877 422 E CA -1.235 55.235 56.400 0.117 0.000 0.755 422 E CB 1.731 31.507 29.700 0.126 0.000 1.192 422 E HN 0.584 nan 8.360 nan 0.000 0.422 423 R N 2.877 123.467 120.500 0.149 0.000 2.368 423 R HA 0.434 4.765 4.340 -0.016 0.000 0.302 423 R C -0.539 175.861 176.300 0.165 0.000 1.002 423 R CA -0.634 55.566 56.100 0.166 0.000 0.929 423 R CB 1.265 31.634 30.300 0.113 0.000 1.073 423 R HN 0.581 nan 8.270 nan 0.000 0.464 424 K N 2.678 123.194 120.400 0.194 0.000 2.541 424 K HA 0.370 4.681 4.320 -0.016 0.000 0.250 424 K C -1.762 175.005 176.600 0.278 0.000 0.950 424 K CA -0.572 55.834 56.287 0.199 0.000 0.805 424 K CB 1.217 33.814 32.500 0.161 0.000 1.166 424 K HN 0.361 nan 8.250 nan 0.000 0.430 425 F N 3.785 123.776 119.950 0.070 0.000 2.659 425 F HA 0.371 4.889 4.527 -0.015 0.000 0.342 425 F C 0.420 176.241 175.800 0.035 0.000 1.168 425 F CA 0.516 58.550 58.000 0.056 0.000 1.003 425 F CB 1.130 40.173 39.000 0.072 0.000 1.267 425 F HN 0.880 nan 8.300 nan 0.000 0.463 426 G N 5.466 114.098 108.800 -0.280 0.000 2.565 426 G HA2 -0.367 3.583 3.960 -0.016 0.000 0.295 426 G HA3 -0.367 3.583 3.960 -0.016 0.000 0.295 426 G C 0.703 175.580 174.900 -0.039 0.000 1.165 426 G CA 0.466 45.431 45.100 -0.225 0.000 0.977 426 G HN 0.635 nan 8.290 nan 0.000 0.546 427 N N 2.118 120.825 118.700 0.013 0.000 2.214 427 N HA 0.080 4.810 4.740 -0.016 0.000 0.214 427 N C -0.109 175.524 175.510 0.207 0.000 1.132 427 N CA -0.154 52.969 53.050 0.121 0.000 0.856 427 N CB 0.024 38.602 38.487 0.153 0.000 1.020 427 N HN 0.417 nan 8.380 nan 0.000 0.509 428 N N 1.059 119.841 118.700 0.138 0.000 2.518 428 N HA 0.259 4.989 4.740 -0.016 0.000 0.283 428 N C -0.575 175.044 175.510 0.182 0.000 1.119 428 N CA 0.148 53.282 53.050 0.141 0.000 0.983 428 N CB 2.362 40.927 38.487 0.131 0.000 1.139 428 N HN -0.218 nan 8.380 nan 0.000 0.465 429 V N 0.278 120.301 119.914 0.182 0.000 2.888 429 V HA 0.695 4.805 4.120 -0.016 0.000 0.309 429 V C -0.724 175.429 176.094 0.099 0.000 1.114 429 V CA -0.952 61.436 62.300 0.146 0.000 0.940 429 V CB 1.825 33.732 31.823 0.140 0.000 1.021 429 V HN 0.802 nan 8.190 nan 0.000 0.426 430 A N 3.233 126.092 122.820 0.066 0.000 2.393 430 A HA 0.939 5.249 4.320 -0.016 0.000 0.306 430 A C -1.361 176.212 177.584 -0.017 0.000 1.050 430 A CA -0.625 51.420 52.037 0.014 0.000 0.724 430 A CB 2.020 21.017 19.000 -0.005 0.000 1.248 430 A HN 0.795 nan 8.150 nan 0.000 0.424 431 V N 2.816 122.703 119.914 -0.045 0.000 2.525 431 V HA 0.502 4.613 4.120 -0.016 0.000 0.299 431 V C -0.730 175.226 176.094 -0.229 0.000 1.034 431 V CA -0.450 61.815 62.300 -0.058 0.000 0.863 431 V CB 1.736 33.646 31.823 0.146 0.000 0.999 431 V HN 0.729 nan 8.190 nan 0.000 0.423 432 V N 3.720 123.331 119.914 -0.504 0.000 2.540 432 V HA 0.852 4.962 4.120 -0.016 0.000 0.302 432 V C 0.174 176.058 176.094 -0.350 0.000 1.035 432 V CA -0.576 61.378 62.300 -0.576 0.000 0.873 432 V CB 1.875 33.274 31.823 -0.706 0.000 0.992 432 V HN 0.960 nan 8.190 nan 0.000 0.428 433 A N 6.434 129.114 122.820 -0.233 0.000 2.291 433 A HA 0.880 5.191 4.320 -0.016 0.000 0.311 433 A C -0.781 176.833 177.584 0.049 0.000 1.224 433 A CA -0.398 51.647 52.037 0.014 0.000 0.821 433 A CB 0.471 19.561 19.000 0.150 0.000 1.172 433 A HN 0.768 nan 8.150 nan 0.000 0.494 434 I N 2.820 123.489 120.570 0.166 0.000 2.433 434 I HA 0.342 4.502 4.170 -0.016 0.000 0.292 434 I C -0.384 175.837 176.117 0.173 0.000 1.001 434 I CA -0.710 60.697 61.300 0.179 0.000 1.119 434 I CB 2.061 40.233 38.000 0.287 0.000 1.289 434 I HN 0.675 nan 8.210 nan 0.000 0.438 435 N N 6.118 124.904 118.700 0.144 0.000 2.524 435 N HA 0.212 4.942 4.740 -0.016 0.000 0.261 435 N C 0.607 176.198 175.510 0.135 0.000 0.998 435 N CA -0.618 52.508 53.050 0.126 0.000 0.915 435 N CB 1.333 39.879 38.487 0.098 0.000 1.187 435 N HN 0.695 nan 8.380 nan 0.000 0.507 436 R N 2.221 122.805 120.500 0.140 0.000 2.276 436 R HA 0.091 4.422 4.340 -0.016 0.000 0.203 436 R C 0.297 176.663 176.300 0.109 0.000 1.017 436 R CA 0.175 56.368 56.100 0.155 0.000 1.010 436 R CB -0.035 30.340 30.300 0.125 0.000 0.900 436 R HN 0.263 nan 8.270 nan 0.000 0.469 437 N N 1.224 119.975 118.700 0.085 0.000 2.470 437 N HA 0.018 4.748 4.740 -0.016 0.000 0.268 437 N C 0.136 175.688 175.510 0.071 0.000 1.136 437 N CA -0.042 53.050 53.050 0.069 0.000 0.961 437 N CB 0.900 39.422 38.487 0.059 0.000 1.067 437 N HN 0.152 nan 8.380 nan 0.000 0.468 438 M N 2.550 122.190 119.600 0.068 0.000 2.505 438 M HA 0.043 4.514 4.480 -0.016 0.000 0.230 438 M C 0.722 177.054 176.300 0.053 0.000 1.153 438 M CA 0.249 55.588 55.300 0.065 0.000 0.997 438 M CB -1.273 31.368 32.600 0.069 0.000 1.606 438 M HN 0.601 nan 8.290 nan 0.000 0.481 439 N N 0.420 119.149 118.700 0.049 0.000 3.166 439 N HA 0.026 4.756 4.740 -0.016 0.000 0.242 439 N C -0.225 175.309 175.510 0.040 0.000 1.017 439 N CA 0.444 53.519 53.050 0.041 0.000 1.113 439 N CB 0.492 39.001 38.487 0.036 0.000 1.629 439 N HN -0.050 nan 8.380 nan 0.000 0.601 440 T N 4.133 118.711 114.554 0.041 0.000 2.750 440 T HA 0.234 4.575 4.350 -0.016 0.000 0.286 440 T C -2.637 172.089 174.700 0.043 0.000 0.911 440 T CA -0.757 61.368 62.100 0.040 0.000 1.130 440 T CB 0.980 69.873 68.868 0.041 0.000 0.873 440 T HN 0.272 nan 8.240 nan 0.000 0.536 441 P HA 0.353 nan 4.420 nan 0.000 0.276 441 P C -0.433 176.880 177.300 0.021 0.000 1.253 441 P CA -0.426 62.694 63.100 0.034 0.000 0.766 441 P CB 0.663 32.382 31.700 0.033 0.000 0.845 442 A N 3.675 126.499 122.820 0.007 0.000 2.272 442 A HA 0.533 4.844 4.320 -0.016 0.000 0.275 442 A C 0.166 177.688 177.584 -0.104 0.000 1.096 442 A CA -0.242 51.781 52.037 -0.025 0.000 0.822 442 A CB 0.230 19.212 19.000 -0.030 0.000 1.088 442 A HN 0.485 nan 8.150 nan 0.000 0.495 443 S N 0.161 115.772 115.700 -0.150 0.000 2.652 443 S HA 0.387 4.847 4.470 -0.016 0.000 0.252 443 S C -0.959 173.409 174.600 -0.386 0.000 1.219 443 S CA -0.288 57.778 58.200 -0.223 0.000 1.151 443 S CB 0.305 63.451 63.200 -0.090 0.000 1.080 443 S HN 0.461 nan 8.310 nan 0.000 0.481 444 I N 2.957 123.056 120.570 -0.786 0.000 2.396 444 I HA 0.414 4.574 4.170 -0.016 0.000 0.289 444 I C 0.727 176.459 176.117 -0.643 0.000 1.056 444 I CA 0.600 61.231 61.300 -1.115 0.000 1.365 444 I CB 1.075 38.075 38.000 -1.667 0.000 1.407 444 I HN 0.465 nan 8.210 nan 0.000 0.509 445 T N 3.752 118.096 114.554 -0.350 0.000 2.933 445 T HA 0.573 4.913 4.350 -0.016 0.000 0.305 445 T C 0.425 175.169 174.700 0.073 0.000 1.092 445 T CA 0.054 62.098 62.100 -0.093 0.000 1.008 445 T CB 1.142 70.003 68.868 -0.012 0.000 1.102 445 T HN 0.971 nan 8.240 nan 0.000 0.469 446 G N 2.402 111.247 108.800 0.074 0.000 2.176 446 G HA2 -0.173 3.778 3.960 -0.016 0.000 0.253 446 G HA3 -0.173 3.778 3.960 -0.016 0.000 0.253 446 G C 0.014 175.020 174.900 0.177 0.000 0.979 446 G CA 0.137 45.325 45.100 0.146 0.000 0.641 446 G HN 1.056 nan 8.290 nan 0.000 0.530 447 L N 1.677 122.955 121.223 0.091 0.000 2.462 447 L HA 0.586 4.916 4.340 -0.016 0.000 0.272 447 L C 0.226 177.151 176.870 0.090 0.000 1.166 447 L CA -0.197 54.704 54.840 0.101 0.000 0.880 447 L CB 1.190 43.231 42.059 -0.031 0.000 1.142 447 L HN 0.146 nan 8.230 nan 0.000 0.473 448 V N 5.414 125.393 119.914 0.109 0.000 2.448 448 V HA 0.635 4.745 4.120 -0.016 0.000 0.295 448 V C 0.413 176.548 176.094 0.068 0.000 1.025 448 V CA 0.022 62.368 62.300 0.076 0.000 0.859 448 V CB 1.460 33.334 31.823 0.086 0.000 0.988 448 V HN 1.011 nan 8.190 nan 0.000 0.431 449 T N 0.622 115.198 114.554 0.038 0.000 2.768 449 T HA 0.417 4.757 4.350 -0.016 0.000 0.268 449 T C 0.529 175.248 174.700 0.031 0.000 0.969 449 T CA -0.126 61.993 62.100 0.032 0.000 1.008 449 T CB 1.871 70.730 68.868 -0.015 0.000 1.371 449 T HN 0.394 nan 8.240 nan 0.000 0.587 450 S N -0.771 114.942 115.700 0.022 0.000 2.749 450 S HA 0.423 4.883 4.470 -0.016 0.000 0.246 450 S C -0.007 174.570 174.600 -0.040 0.000 1.023 450 S CA -0.685 57.527 58.200 0.019 0.000 1.012 450 S CB -0.797 62.445 63.200 0.069 0.000 0.942 450 S HN 0.499 nan 8.310 nan 0.000 0.531 451 L N 2.695 123.860 121.223 -0.097 0.000 2.350 451 L HA 0.442 4.772 4.340 -0.016 0.000 0.275 451 L C -2.048 174.732 176.870 -0.150 0.000 1.099 451 L CA -2.098 52.627 54.840 -0.192 0.000 0.808 451 L CB 0.673 42.489 42.059 -0.405 0.000 1.149 451 L HN 0.099 nan 8.230 nan 0.000 0.442 452 P HA 0.105 nan 4.420 nan 0.000 0.274 452 P C -0.868 176.441 177.300 0.016 0.000 1.264 452 P CA -0.337 62.663 63.100 -0.166 0.000 0.795 452 P CB 0.439 31.922 31.700 -0.361 0.000 1.064 453 R N 0.081 120.566 120.500 -0.024 0.000 2.490 453 R HA 0.627 4.957 4.340 -0.016 0.000 0.278 453 R C 0.518 176.790 176.300 -0.048 0.000 1.069 453 R CA 0.054 56.149 56.100 -0.009 0.000 1.080 453 R CB 0.083 30.363 30.300 -0.034 0.000 1.030 453 R HN 0.801 nan 8.270 nan 0.000 0.491 454 G N 0.284 109.043 108.800 -0.069 0.000 2.347 454 G HA2 -0.076 3.874 3.960 -0.016 0.000 0.341 454 G HA3 -0.076 3.874 3.960 -0.016 0.000 0.341 454 G C -1.185 173.559 174.900 -0.259 0.000 1.287 454 G CA -0.964 44.012 45.100 -0.207 0.000 0.984 454 G HN 0.465 nan 8.290 nan 0.000 0.526 455 S N -0.795 114.692 115.700 -0.356 0.000 2.617 455 S HA 0.827 5.287 4.470 -0.016 0.000 0.283 455 S C -1.279 173.023 174.600 -0.497 0.000 1.189 455 S CA -0.199 57.832 58.200 -0.281 0.000 1.036 455 S CB 1.068 64.161 63.200 -0.178 0.000 1.014 455 S HN 0.523 nan 8.310 nan 0.000 0.522 456 Y N 0.757 120.968 120.300 -0.147 0.000 2.396 456 Y HA 0.336 4.876 4.550 -0.017 0.000 0.332 456 Y C 0.449 176.362 175.900 0.021 0.000 1.034 456 Y CA -0.929 57.140 58.100 -0.053 0.000 1.057 456 Y CB 1.255 39.675 38.460 -0.066 0.000 1.220 456 Y HN 0.586 nan 8.280 nan 0.000 0.440 457 N N 1.525 120.354 118.700 0.215 0.000 2.467 457 N HA -0.001 4.729 4.740 -0.016 0.000 0.262 457 N C -1.058 174.642 175.510 0.317 0.000 1.234 457 N CA -0.264 52.903 53.050 0.195 0.000 0.952 457 N CB 0.851 39.406 38.487 0.113 0.000 1.158 457 N HN 0.669 nan 8.380 nan 0.000 0.463 458 D N 0.773 121.321 120.400 0.247 0.000 2.343 458 D HA 0.042 4.672 4.640 -0.016 0.000 0.255 458 D C 1.051 177.372 176.300 0.036 0.000 1.187 458 D CA -0.346 53.729 54.000 0.126 0.000 0.875 458 D CB 1.006 41.844 40.800 0.063 0.000 1.136 458 D HN 0.131 nan 8.370 nan 0.000 0.469 459 V N 4.291 124.193 119.914 -0.020 0.000 2.469 459 V HA -0.199 3.911 4.120 -0.016 0.000 0.251 459 V C 1.963 178.034 176.094 -0.037 0.000 1.064 459 V CA 0.897 63.184 62.300 -0.021 0.000 1.066 459 V CB -0.468 31.326 31.823 -0.048 0.000 0.667 459 V HN 0.664 nan 8.190 nan 0.000 0.461 460 L N 0.647 121.831 121.223 -0.066 0.000 2.650 460 L HA 0.171 4.501 4.340 -0.016 0.000 0.235 460 L C 1.960 178.820 176.870 -0.017 0.000 1.149 460 L CA 1.498 56.308 54.840 -0.050 0.000 0.887 460 L CB -1.514 40.502 42.059 -0.072 0.000 1.021 460 L HN 0.605 nan 8.230 nan 0.000 0.441 461 G N 0.121 108.921 108.800 -0.001 0.000 2.212 461 G HA2 -0.310 3.640 3.960 -0.016 0.000 0.267 461 G HA3 -0.310 3.640 3.960 -0.016 0.000 0.267 461 G C 1.171 176.083 174.900 0.021 0.000 1.002 461 G CA 0.601 45.711 45.100 0.017 0.000 0.729 461 G HN 0.768 nan 8.290 nan 0.000 0.517 462 G N -0.620 108.190 108.800 0.016 0.000 2.153 462 G HA2 -0.281 3.669 3.960 -0.016 0.000 0.252 462 G HA3 -0.281 3.669 3.960 -0.016 0.000 0.252 462 G C 1.273 176.186 174.900 0.022 0.000 0.994 462 G CA 1.198 46.313 45.100 0.025 0.000 0.698 462 G HN 1.975 nan 8.290 nan 0.000 0.521 463 I N -2.668 117.910 120.570 0.015 0.000 2.353 463 I HA 0.183 4.344 4.170 -0.016 0.000 0.248 463 I C 1.840 177.971 176.117 0.023 0.000 1.119 463 I CA 1.039 62.352 61.300 0.022 0.000 1.417 463 I CB -0.214 37.800 38.000 0.025 0.000 1.078 463 I HN 0.166 nan 8.210 nan 0.000 0.421 464 L N 2.512 123.742 121.223 0.011 0.000 2.805 464 L HA 0.244 4.574 4.340 -0.016 0.000 0.237 464 L C 0.038 176.921 176.870 0.021 0.000 1.252 464 L CA 0.047 54.895 54.840 0.014 0.000 1.064 464 L CB -1.314 40.741 42.059 -0.007 0.000 1.361 464 L HN 0.425 nan 8.230 nan 0.000 0.474 465 N N 0.687 119.406 118.700 0.031 0.000 2.735 465 N HA -0.144 4.587 4.740 -0.016 0.000 0.248 465 N C 0.703 176.247 175.510 0.056 0.000 1.083 465 N CA 0.448 53.525 53.050 0.045 0.000 0.703 465 N CB -0.612 37.906 38.487 0.051 0.000 1.005 465 N HN 0.622 nan 8.380 nan 0.000 0.550 466 G N 0.358 109.183 108.800 0.042 0.000 2.535 466 G HA2 0.506 4.456 3.960 -0.016 0.000 0.282 466 G HA3 0.506 4.456 3.960 -0.016 0.000 0.282 466 G C 0.254 175.222 174.900 0.114 0.000 1.350 466 G CA 0.091 45.227 45.100 0.060 0.000 1.039 466 G HN 0.485 nan 8.290 nan 0.000 0.509 467 N N -2.772 116.044 118.700 0.195 0.000 2.732 467 N HA 0.385 5.115 4.740 -0.016 0.000 0.259 467 N C -0.823 174.827 175.510 0.233 0.000 1.402 467 N CA -0.744 52.407 53.050 0.168 0.000 0.829 467 N CB 0.725 39.279 38.487 0.111 0.000 1.495 467 N HN 0.351 nan 8.380 nan 0.000 0.511 468 T N 0.471 115.063 114.554 0.064 0.000 2.918 468 T HA 0.360 4.701 4.350 -0.016 0.000 0.302 468 T C -0.484 174.022 174.700 -0.323 0.000 1.045 468 T CA -0.041 62.046 62.100 -0.022 0.000 1.114 468 T CB 0.128 68.968 68.868 -0.047 0.000 0.965 468 T HN 0.449 nan 8.240 nan 0.000 0.540 469 L N 2.924 123.812 121.223 -0.560 0.000 2.356 469 L HA 0.477 4.807 4.340 -0.016 0.000 0.277 469 L C -0.287 176.333 176.870 -0.416 0.000 0.996 469 L CA -0.131 54.169 54.840 -0.899 0.000 0.822 469 L CB 1.780 42.765 42.059 -1.790 0.000 1.256 469 L HN 0.613 nan 8.230 nan 0.000 0.413 470 T N 4.250 118.604 114.554 -0.334 0.000 2.767 470 T HA 0.654 4.994 4.350 -0.016 0.000 0.284 470 T C -0.448 174.173 174.700 -0.130 0.000 0.973 470 T CA -0.404 61.596 62.100 -0.166 0.000 0.996 470 T CB 1.388 70.178 68.868 -0.130 0.000 0.927 470 T HN 0.327 nan 8.240 nan 0.000 0.456 471 V N 2.295 122.181 119.914 -0.046 0.000 2.715 471 V HA 0.858 4.968 4.120 -0.016 0.000 0.310 471 V C 0.686 176.767 176.094 -0.022 0.000 1.054 471 V CA -0.596 61.687 62.300 -0.029 0.000 0.928 471 V CB 2.112 33.952 31.823 0.029 0.000 1.007 471 V HN 1.037 nan 8.190 nan 0.000 0.437 472 G N 1.193 109.979 108.800 -0.022 0.000 3.016 472 G HA2 0.726 4.676 3.960 -0.016 0.000 0.270 472 G HA3 0.726 4.676 3.960 -0.016 0.000 0.270 472 G C -0.173 174.718 174.900 -0.015 0.000 1.352 472 G CA -0.282 44.806 45.100 -0.020 0.000 1.060 472 G HN 1.072 nan 8.290 nan 0.000 0.538 473 A N -1.733 121.079 122.820 -0.014 0.000 2.492 473 A HA 0.484 4.794 4.320 -0.016 0.000 0.236 473 A C 1.721 179.301 177.584 -0.006 0.000 1.078 473 A CA 1.465 53.495 52.037 -0.012 0.000 0.773 473 A CB -0.564 18.430 19.000 -0.010 0.000 1.023 473 A HN 2.626 nan 8.150 nan 0.000 0.504 474 G N -0.448 108.349 108.800 -0.006 0.000 2.189 474 G HA2 0.104 4.055 3.960 -0.016 0.000 0.267 474 G HA3 0.104 4.055 3.960 -0.016 0.000 0.267 474 G C 1.725 176.628 174.900 0.005 0.000 0.975 474 G CA 1.247 46.349 45.100 0.002 0.000 0.644 474 G HN 2.837 nan 8.290 nan 0.000 0.537 475 G N -1.115 107.681 108.800 -0.006 0.000 2.199 475 G HA2 0.165 4.115 3.960 -0.016 0.000 0.254 475 G HA3 0.165 4.115 3.960 -0.016 0.000 0.254 475 G C 0.953 175.850 174.900 -0.004 0.000 0.982 475 G CA 1.171 46.266 45.100 -0.009 0.000 0.632 475 G HN 2.333 nan 8.290 nan 0.000 0.529 476 A N 0.464 123.287 122.820 0.005 0.000 2.553 476 A HA 0.599 4.909 4.320 -0.016 0.000 0.258 476 A C 0.976 178.556 177.584 -0.006 0.000 1.069 476 A CA 1.365 53.408 52.037 0.011 0.000 0.767 476 A CB -0.044 18.964 19.000 0.013 0.000 0.997 476 A HN 2.111 nan 8.150 nan 0.000 0.512 477 A N 3.688 126.506 122.820 -0.004 0.000 2.301 477 A HA 0.558 4.869 4.320 -0.016 0.000 0.298 477 A C 0.708 178.297 177.584 0.008 0.000 1.185 477 A CA -0.353 51.667 52.037 -0.029 0.000 0.830 477 A CB 0.160 19.140 19.000 -0.033 0.000 1.112 477 A HN 0.926 nan 8.150 nan 0.000 0.508 478 S N 2.333 118.023 115.700 -0.016 0.000 2.509 478 S HA 0.023 4.483 4.470 -0.016 0.000 0.287 478 S C 0.664 175.326 174.600 0.103 0.000 1.248 478 S CA -0.149 58.060 58.200 0.015 0.000 1.089 478 S CB -0.304 62.882 63.200 -0.023 0.000 0.900 478 S HN 0.877 nan 8.310 nan 0.000 0.496 479 N N 3.002 121.747 118.700 0.074 0.000 1.920 479 N HA -0.060 4.670 4.740 -0.016 0.000 0.307 479 N C -0.537 175.055 175.510 0.137 0.000 1.305 479 N CA 0.728 53.809 53.050 0.051 0.000 0.800 479 N CB -0.356 38.138 38.487 0.011 0.000 1.035 479 N HN 0.501 nan 8.380 nan 0.000 0.498 480 F N -0.351 119.532 119.950 -0.112 0.000 2.643 480 F HA 0.558 5.074 4.527 -0.018 0.000 0.314 480 F C -0.622 175.131 175.800 -0.078 0.000 1.096 480 F CA -1.146 56.802 58.000 -0.087 0.000 0.953 480 F CB 1.070 40.016 39.000 -0.091 0.000 1.345 480 F HN 0.094 nan 8.300 nan 0.000 0.468 481 T N 3.613 118.233 114.554 0.109 0.000 2.738 481 T HA 0.369 4.709 4.350 -0.016 0.000 0.298 481 T C -0.898 173.882 174.700 0.133 0.000 0.962 481 T CA -0.250 61.859 62.100 0.016 0.000 0.972 481 T CB 0.503 69.401 68.868 0.050 0.000 0.928 481 T HN 0.578 nan 8.240 nan 0.000 0.474 482 L N 5.550 126.771 121.223 -0.002 0.000 2.312 482 L HA 0.599 4.929 4.340 -0.016 0.000 0.287 482 L C 0.679 177.603 176.870 0.090 0.000 1.091 482 L CA -0.624 54.300 54.840 0.140 0.000 0.846 482 L CB -0.785 41.315 42.059 0.068 0.000 1.219 482 L HN 0.723 nan 8.230 nan 0.000 0.439 483 A N 8.036 130.925 122.820 0.116 0.000 2.639 483 A HA 0.183 4.494 4.320 -0.016 0.000 0.229 483 A C -2.091 175.537 177.584 0.072 0.000 1.062 483 A CA -0.441 51.646 52.037 0.084 0.000 0.761 483 A CB -1.018 18.033 19.000 0.085 0.000 0.988 483 A HN 0.698 nan 8.150 nan 0.000 0.510 484 P HA 0.143 nan 4.420 nan 0.000 0.261 484 P C 0.769 178.110 177.300 0.068 0.000 1.203 484 P CA 1.512 64.648 63.100 0.061 0.000 0.767 484 P CB 0.237 31.969 31.700 0.053 0.000 0.785 485 G N 2.594 111.440 108.800 0.078 0.000 2.179 485 G HA2 -0.186 3.765 3.960 -0.016 0.000 0.257 485 G HA3 -0.186 3.765 3.960 -0.016 0.000 0.257 485 G C 0.519 175.464 174.900 0.075 0.000 1.010 485 G CA -0.146 45.005 45.100 0.084 0.000 0.736 485 G HN 0.878 nan 8.290 nan 0.000 0.513 486 G N -0.984 107.862 108.800 0.076 0.000 2.476 486 G HA2 0.618 4.569 3.960 -0.016 0.000 0.269 486 G HA3 0.618 4.569 3.960 -0.016 0.000 0.269 486 G C -0.158 174.773 174.900 0.051 0.000 1.195 486 G CA 0.585 45.726 45.100 0.068 0.000 0.843 486 G HN 0.688 nan 8.290 nan 0.000 0.545 487 T N 0.054 114.613 114.554 0.009 0.000 2.879 487 T HA 0.658 4.999 4.350 -0.016 0.000 0.290 487 T C -0.370 174.243 174.700 -0.144 0.000 0.993 487 T CA -0.154 61.919 62.100 -0.045 0.000 0.975 487 T CB 1.755 70.596 68.868 -0.044 0.000 0.981 487 T HN 1.024 nan 8.240 nan 0.000 0.439 488 A N 2.714 125.348 122.820 -0.310 0.000 2.381 488 A HA 0.801 5.112 4.320 -0.016 0.000 0.299 488 A C -0.887 176.070 177.584 -1.045 0.000 1.049 488 A CA -0.658 50.984 52.037 -0.658 0.000 0.715 488 A CB 1.274 19.838 19.000 -0.728 0.000 1.222 488 A HN 0.666 nan 8.150 nan 0.000 0.428 489 V N 2.838 122.216 119.914 -0.893 0.000 2.513 489 V HA 0.649 4.760 4.120 -0.016 0.000 0.299 489 V C -0.684 174.950 176.094 -0.767 0.000 1.035 489 V CA -0.480 61.401 62.300 -0.697 0.000 0.889 489 V CB 1.361 32.983 31.823 -0.334 0.000 0.988 489 V HN 0.861 nan 8.190 nan 0.000 0.440 490 W N 2.880 124.121 121.300 -0.097 0.000 3.029 490 W HA 0.758 5.410 4.660 -0.013 0.000 0.339 490 W C -0.468 175.984 176.519 -0.112 0.000 1.198 490 W CA -0.723 56.560 57.345 -0.104 0.000 1.148 490 W CB 2.111 31.455 29.460 -0.193 0.000 1.451 490 W HN 0.728 nan 8.180 nan 0.000 0.564 491 Q N 0.621 120.510 119.800 0.149 0.000 2.702 491 Q HA 0.621 4.951 4.340 -0.016 0.000 0.289 491 Q C -2.340 173.789 176.000 0.216 0.000 0.923 491 Q CA -1.061 54.807 55.803 0.107 0.000 0.787 491 Q CB 3.193 31.977 28.738 0.077 0.000 1.476 491 Q HN 0.366 nan 8.270 nan 0.000 0.402 492 Y N 0.162 120.497 120.300 0.058 0.000 2.479 492 Y HA 0.699 5.239 4.550 -0.017 0.000 0.338 492 Y C -1.681 174.266 175.900 0.077 0.000 1.055 492 Y CA -0.165 58.002 58.100 0.111 0.000 1.023 492 Y CB 2.693 41.226 38.460 0.122 0.000 1.287 492 Y HN 1.004 nan 8.280 nan 0.000 0.447 493 T N 3.360 117.517 114.554 -0.661 0.000 2.906 493 T HA 0.780 5.121 4.350 -0.016 0.000 0.295 493 T C -1.588 172.654 174.700 -0.763 0.000 1.075 493 T CA -0.235 61.571 62.100 -0.489 0.000 1.005 493 T CB 1.820 70.563 68.868 -0.209 0.000 1.136 493 T HN 0.847 nan 8.240 nan 0.000 0.498 494 T N 2.257 116.584 114.554 -0.378 0.000 3.289 494 T HA 0.298 4.638 4.350 -0.016 0.000 0.370 494 T C -1.884 172.755 174.700 -0.102 0.000 1.546 494 T CA -0.665 61.291 62.100 -0.240 0.000 1.144 494 T CB 0.944 69.703 68.868 -0.183 0.000 1.379 494 T HN 0.726 nan 8.240 nan 0.000 0.478 495 D N 2.451 122.809 120.400 -0.071 0.000 2.571 495 D HA 0.282 4.912 4.640 -0.016 0.000 0.231 495 D C 0.509 176.778 176.300 -0.051 0.000 1.133 495 D CA 0.422 54.391 54.000 -0.051 0.000 0.862 495 D CB 0.583 41.361 40.800 -0.036 0.000 1.179 495 D HN 0.753 nan 8.370 nan 0.000 0.474 496 A N 2.709 125.486 122.820 -0.073 0.000 2.444 496 A HA 0.224 4.534 4.320 -0.016 0.000 0.273 496 A C 1.388 178.922 177.584 -0.083 0.000 1.136 496 A CA -0.281 51.693 52.037 -0.105 0.000 0.799 496 A CB 0.174 19.067 19.000 -0.177 0.000 1.081 496 A HN 0.539 nan 8.150 nan 0.000 0.509 497 T N 1.511 116.024 114.554 -0.068 0.000 2.698 497 T HA -0.017 4.323 4.350 -0.016 0.000 0.260 497 T C 1.190 175.861 174.700 -0.049 0.000 1.044 497 T CA 1.831 63.905 62.100 -0.043 0.000 1.149 497 T CB -0.223 68.627 68.868 -0.029 0.000 0.864 497 T HN 0.735 nan 8.240 nan 0.000 0.419 498 T N 3.113 117.623 114.554 -0.073 0.000 2.929 498 T HA 0.401 4.741 4.350 -0.016 0.000 0.284 498 T C -2.826 171.800 174.700 -0.124 0.000 1.014 498 T CA -2.462 59.598 62.100 -0.067 0.000 1.051 498 T CB 1.297 70.129 68.868 -0.059 0.000 1.028 498 T HN -0.069 nan 8.240 nan 0.000 0.485 499 P HA 0.370 nan 4.420 nan 0.000 0.276 499 P C -1.038 176.145 177.300 -0.195 0.000 1.235 499 P CA -0.121 62.880 63.100 -0.165 0.000 0.772 499 P CB 0.389 32.131 31.700 0.069 0.000 0.871 500 I N 4.144 124.494 120.570 -0.367 0.000 2.503 500 I HA 0.317 4.477 4.170 -0.016 0.000 0.282 500 I C 0.502 176.578 176.117 -0.069 0.000 1.059 500 I CA -0.888 60.245 61.300 -0.279 0.000 1.081 500 I CB 1.647 39.225 38.000 -0.704 0.000 1.210 500 I HN 0.154 nan 8.210 nan 0.000 0.450 501 I N 5.270 125.923 120.570 0.137 0.000 2.578 501 I HA 0.055 4.215 4.170 -0.016 0.000 0.286 501 I C 1.478 177.696 176.117 0.169 0.000 1.126 501 I CA 0.525 61.945 61.300 0.201 0.000 1.380 501 I CB 0.929 38.999 38.000 0.117 0.000 1.408 501 I HN 0.827 nan 8.210 nan 0.000 0.532 502 G N 5.153 113.903 108.800 -0.084 0.000 2.662 502 G HA2 -0.028 3.922 3.960 -0.016 0.000 0.212 502 G HA3 -0.028 3.922 3.960 -0.016 0.000 0.212 502 G C 0.402 175.140 174.900 -0.269 0.000 1.141 502 G CA 0.279 45.135 45.100 -0.406 0.000 0.797 502 G HN 0.576 nan 8.290 nan 0.000 0.531 503 N N -1.241 117.203 118.700 -0.427 0.000 3.217 503 N HA 0.239 4.969 4.740 -0.016 0.000 0.236 503 N C -1.768 173.458 175.510 -0.474 0.000 1.136 503 N CA -0.348 52.504 53.050 -0.330 0.000 0.997 503 N CB 1.537 40.085 38.487 0.102 0.000 1.658 503 N HN -0.133 nan 8.380 nan 0.000 0.527 504 V N 0.554 120.167 119.914 -0.501 0.000 2.864 504 V HA 1.025 5.135 4.120 -0.016 0.000 0.314 504 V C 0.423 176.523 176.094 0.011 0.000 1.073 504 V CA -0.337 61.804 62.300 -0.264 0.000 0.956 504 V CB 1.774 33.440 31.823 -0.261 0.000 1.023 504 V HN 0.871 nan 8.190 nan 0.000 0.435 505 G N 3.233 112.070 108.800 0.061 0.000 2.717 505 G HA2 0.567 4.517 3.960 -0.016 0.000 0.300 505 G HA3 0.567 4.517 3.960 -0.016 0.000 0.300 505 G C -3.363 171.612 174.900 0.126 0.000 1.424 505 G CA -0.753 44.424 45.100 0.129 0.000 1.033 505 G HN 0.505 nan 8.290 nan 0.000 0.577 506 P HA 0.226 nan 4.420 nan 0.000 0.274 506 P C 0.206 177.636 177.300 0.217 0.000 1.260 506 P CA -0.280 62.906 63.100 0.142 0.000 0.793 506 P CB 1.307 33.059 31.700 0.087 0.000 1.048 507 M N -0.235 119.395 119.600 0.049 0.000 2.346 507 M HA 0.341 4.811 4.480 -0.016 0.000 0.280 507 M C 0.065 176.042 176.300 -0.538 0.000 1.075 507 M CA 0.152 55.404 55.300 -0.081 0.000 0.989 507 M CB -0.195 32.430 32.600 0.042 0.000 1.447 507 M HN 0.311 nan 8.290 nan 0.000 0.511 508 M N 0.901 120.243 119.600 -0.429 0.000 2.265 508 M HA 0.633 5.103 4.480 -0.016 0.000 0.262 508 M C -2.188 173.982 176.300 -0.217 0.000 1.026 508 M CA -0.163 54.894 55.300 -0.404 0.000 0.987 508 M CB 1.235 33.692 32.600 -0.239 0.000 1.937 508 M HN 0.072 nan 8.290 nan 0.000 0.481 509 A N 3.736 126.459 122.820 -0.162 0.000 2.511 509 A HA 0.765 5.075 4.320 -0.016 0.000 0.293 509 A C -2.081 175.516 177.584 0.022 0.000 1.098 509 A CA -0.752 51.273 52.037 -0.020 0.000 0.643 509 A CB 1.635 20.675 19.000 0.067 0.000 1.302 509 A HN 0.762 nan 8.150 nan 0.000 0.446 510 K N -0.233 120.180 120.400 0.021 0.000 2.280 510 K HA 0.686 4.997 4.320 -0.016 0.000 0.234 510 K C -2.968 173.626 176.600 -0.009 0.000 1.028 510 K CA -1.909 54.383 56.287 0.009 0.000 0.882 510 K CB 1.119 33.617 32.500 -0.004 0.000 1.194 510 K HN 0.273 nan 8.250 nan 0.000 0.458 511 P HA -0.008 nan 4.420 nan 0.000 0.261 511 P C 0.326 177.582 177.300 -0.073 0.000 1.173 511 P CA 1.886 64.931 63.100 -0.092 0.000 0.760 511 P CB 0.130 31.778 31.700 -0.088 0.000 0.783 512 G N 1.186 109.928 108.800 -0.096 0.000 2.213 512 G HA2 -0.207 3.743 3.960 -0.016 0.000 0.236 512 G HA3 -0.207 3.743 3.960 -0.016 0.000 0.236 512 G C 0.062 174.931 174.900 -0.052 0.000 0.991 512 G CA -0.159 44.899 45.100 -0.070 0.000 0.629 512 G HN 0.524 nan 8.290 nan 0.000 0.517 513 V N 2.264 122.157 119.914 -0.036 0.000 2.530 513 V HA 0.473 4.583 4.120 -0.016 0.000 0.282 513 V C 0.923 177.013 176.094 -0.007 0.000 1.048 513 V CA 0.382 62.675 62.300 -0.011 0.000 0.997 513 V CB 1.424 33.260 31.823 0.022 0.000 0.987 513 V HN 0.281 nan 8.190 nan 0.000 0.477 514 T N 7.059 121.605 114.554 -0.014 0.000 2.743 514 T HA 0.375 4.715 4.350 -0.016 0.000 0.290 514 T C 0.125 174.827 174.700 0.002 0.000 0.908 514 T CA 0.097 62.187 62.100 -0.017 0.000 1.092 514 T CB -0.412 68.436 68.868 -0.033 0.000 0.882 514 T HN 0.603 nan 8.240 nan 0.000 0.531 515 I N 0.692 121.270 120.570 0.013 0.000 2.488 515 I HA 0.595 4.755 4.170 -0.016 0.000 0.299 515 I C -0.074 176.012 176.117 -0.052 0.000 0.984 515 I CA -0.707 60.607 61.300 0.023 0.000 1.250 515 I CB 1.425 39.465 38.000 0.067 0.000 1.389 515 I HN 0.238 nan 8.210 nan 0.000 0.488 516 T N 6.641 121.161 114.554 -0.056 0.000 2.837 516 T HA 0.605 4.946 4.350 -0.016 0.000 0.285 516 T C -0.108 174.489 174.700 -0.172 0.000 0.984 516 T CA -0.218 61.813 62.100 -0.114 0.000 1.049 516 T CB 1.165 69.987 68.868 -0.077 0.000 0.947 516 T HN 0.424 nan 8.240 nan 0.000 0.472 517 I N 3.081 123.491 120.570 -0.267 0.000 2.439 517 I HA 0.312 4.472 4.170 -0.016 0.000 0.283 517 I C -0.705 175.242 176.117 -0.284 0.000 1.023 517 I CA -0.848 60.245 61.300 -0.345 0.000 1.100 517 I CB 1.681 39.371 38.000 -0.516 0.000 1.238 517 I HN 0.438 nan 8.210 nan 0.000 0.445 518 D N 4.577 124.845 120.400 -0.219 0.000 2.163 518 D HA 0.787 5.417 4.640 -0.016 0.000 0.248 518 D C 0.307 176.466 176.300 -0.234 0.000 1.035 518 D CA 0.122 54.011 54.000 -0.185 0.000 0.872 518 D CB 2.277 42.939 40.800 -0.230 0.000 1.183 518 D HN 0.771 nan 8.370 nan 0.000 0.445 519 G N 0.832 109.564 108.800 -0.114 0.000 2.441 519 G HA2 0.384 4.334 3.960 -0.016 0.000 0.225 519 G HA3 0.384 4.334 3.960 -0.016 0.000 0.225 519 G C -1.305 173.383 174.900 -0.352 0.000 1.200 519 G CA -0.636 44.299 45.100 -0.276 0.000 0.947 519 G HN 0.277 nan 8.290 nan 0.000 0.484 520 R N -1.180 118.958 120.500 -0.604 0.000 2.799 520 R HA 0.652 4.982 4.340 -0.016 0.000 0.270 520 R C 0.600 176.463 176.300 -0.727 0.000 1.010 520 R CA -0.076 55.736 56.100 -0.480 0.000 0.916 520 R CB 1.067 31.271 30.300 -0.160 0.000 1.228 520 R HN 2.204 nan 8.270 nan 0.000 0.469 521 G N 0.616 109.166 108.800 -0.416 0.000 2.153 521 G HA2 -0.306 3.644 3.960 -0.016 0.000 0.252 521 G HA3 -0.306 3.644 3.960 -0.016 0.000 0.252 521 G C 0.618 175.425 174.900 -0.153 0.000 0.994 521 G CA 0.715 45.655 45.100 -0.266 0.000 0.698 521 G HN 0.546 nan 8.290 nan 0.000 0.521 522 F N 0.896 120.851 119.950 0.008 0.000 2.293 522 F HA 0.310 4.828 4.527 -0.016 0.000 0.297 522 F C 2.149 178.169 175.800 0.368 0.000 1.089 522 F CA 0.982 59.020 58.000 0.063 0.000 1.377 522 F CB 0.010 38.844 39.000 -0.277 0.000 1.051 522 F HN 0.794 nan 8.300 nan 0.000 0.511 523 G N 0.556 109.593 108.800 0.396 0.000 2.855 523 G HA2 -0.219 3.731 3.960 -0.016 0.000 0.352 523 G HA3 -0.219 3.731 3.960 -0.016 0.000 0.352 523 G C -0.377 174.799 174.900 0.459 0.000 1.415 523 G CA -0.350 44.949 45.100 0.331 0.000 0.871 523 G HN 0.377 nan 8.290 nan 0.000 0.543 524 S N -0.709 115.127 115.700 0.227 0.000 2.713 524 S HA 0.806 5.266 4.470 -0.016 0.000 0.283 524 S C 0.815 175.377 174.600 -0.062 0.000 1.161 524 S CA 1.188 59.484 58.200 0.159 0.000 0.999 524 S CB 0.878 64.129 63.200 0.084 0.000 1.039 524 S HN 2.777 nan 8.310 nan 0.000 0.548 525 G N 3.610 112.324 108.800 -0.143 0.000 3.445 525 G HA2 -0.138 3.812 3.960 -0.016 0.000 0.634 525 G HA3 -0.138 3.812 3.960 -0.016 0.000 0.634 525 G C -0.313 174.153 174.900 -0.724 0.000 0.909 525 G CA -0.032 44.892 45.100 -0.293 0.000 0.740 525 G HN 0.858 nan 8.290 nan 0.000 0.441 526 K N 1.992 121.986 120.400 -0.676 0.000 2.580 526 K HA 0.378 4.688 4.320 -0.016 0.000 0.278 526 K C 1.009 176.887 176.600 -1.205 0.000 0.960 526 K CA 1.484 57.171 56.287 -1.000 0.000 0.988 526 K CB 0.456 32.749 32.500 -0.344 0.000 0.887 526 K HN 1.288 nan 8.250 nan 0.000 0.509 527 G N 0.691 108.499 108.800 -1.654 0.000 3.359 527 G HA2 0.278 4.228 3.960 -0.016 0.000 0.187 527 G HA3 0.278 4.228 3.960 -0.016 0.000 0.187 527 G C -0.971 173.724 174.900 -0.342 0.000 1.294 527 G CA 0.146 44.714 45.100 -0.887 0.000 0.769 527 G HN 0.739 nan 8.290 nan 0.000 0.733 528 T N -0.801 113.708 114.554 -0.074 0.000 2.952 528 T HA 0.555 4.896 4.350 -0.016 0.000 0.305 528 T C -1.794 172.825 174.700 -0.135 0.000 1.064 528 T CA -0.355 61.659 62.100 -0.143 0.000 1.008 528 T CB 1.694 70.370 68.868 -0.321 0.000 1.078 528 T HN 0.446 nan 8.240 nan 0.000 0.459 529 V N 6.171 125.966 119.914 -0.199 0.000 2.444 529 V HA 0.521 4.632 4.120 -0.016 0.000 0.294 529 V C -1.127 174.831 176.094 -0.226 0.000 1.022 529 V CA -0.770 61.420 62.300 -0.183 0.000 0.850 529 V CB 1.067 32.823 31.823 -0.112 0.000 0.992 529 V HN 0.896 nan 8.190 nan 0.000 0.426 530 Y N 3.966 124.237 120.300 -0.049 0.000 2.403 530 Y HA 0.657 5.197 4.550 -0.016 0.000 0.323 530 Y C -0.318 175.510 175.900 -0.120 0.000 1.226 530 Y CA -0.893 57.222 58.100 0.025 0.000 1.235 530 Y CB 1.313 39.794 38.460 0.035 0.000 1.248 530 Y HN 0.512 nan 8.280 nan 0.000 0.489 531 F N 1.543 121.586 119.950 0.154 0.000 2.809 531 F HA 0.516 5.033 4.527 -0.016 0.000 0.369 531 F C 0.685 176.639 175.800 0.258 0.000 1.225 531 F CA -0.316 57.741 58.000 0.095 0.000 1.201 531 F CB 1.043 39.971 39.000 -0.121 0.000 1.527 531 F HN 0.819 nan 8.300 nan 0.000 0.565 532 G N 1.600 110.630 108.800 0.384 0.000 2.596 532 G HA2 -0.325 3.625 3.960 -0.016 0.000 0.258 532 G HA3 -0.325 3.625 3.960 -0.016 0.000 0.258 532 G C 0.889 175.929 174.900 0.233 0.000 1.207 532 G CA 0.194 45.486 45.100 0.319 0.000 0.954 532 G HN 0.694 nan 8.290 nan 0.000 0.551 533 T N -1.409 113.280 114.554 0.224 0.000 3.145 533 T HA 0.502 4.842 4.350 -0.016 0.000 0.255 533 T C 0.658 175.493 174.700 0.225 0.000 1.039 533 T CA 1.252 63.462 62.100 0.182 0.000 0.928 533 T CB 0.323 69.266 68.868 0.125 0.000 1.029 533 T HN 0.711 nan 8.240 nan 0.000 0.554 534 T N 3.085 117.798 114.554 0.265 0.000 2.744 534 T HA 0.651 4.991 4.350 -0.016 0.000 0.291 534 T C 0.056 174.885 174.700 0.216 0.000 0.957 534 T CA -0.527 61.698 62.100 0.208 0.000 1.002 534 T CB 0.998 69.956 68.868 0.151 0.000 0.919 534 T HN 0.468 nan 8.240 nan 0.000 0.468 535 A N 3.697 126.590 122.820 0.120 0.000 2.276 535 A HA 0.610 4.920 4.320 -0.016 0.000 0.300 535 A C -0.190 177.370 177.584 -0.040 0.000 1.235 535 A CA -0.546 51.474 52.037 -0.028 0.000 0.867 535 A CB 0.300 19.284 19.000 -0.026 0.000 1.137 535 A HN 0.680 nan 8.150 nan 0.000 0.527 536 V N 3.885 123.763 119.914 -0.061 0.000 2.326 536 V HA 0.592 4.702 4.120 -0.016 0.000 0.281 536 V C 0.467 176.534 176.094 -0.045 0.000 1.015 536 V CA 0.173 62.459 62.300 -0.023 0.000 0.823 536 V CB 0.935 32.794 31.823 0.061 0.000 1.009 536 V HN 1.124 nan 8.190 nan 0.000 0.436 537 T N 1.513 116.036 114.554 -0.052 0.000 2.864 537 T HA 0.838 5.178 4.350 -0.016 0.000 0.289 537 T C 0.749 175.420 174.700 -0.048 0.000 1.082 537 T CA 0.469 62.533 62.100 -0.059 0.000 1.009 537 T CB 1.829 70.640 68.868 -0.095 0.000 1.234 537 T HN 1.575 nan 8.240 nan 0.000 0.526 538 G N 1.467 110.230 108.800 -0.062 0.000 2.646 538 G HA2 -0.207 3.743 3.960 -0.016 0.000 0.324 538 G HA3 -0.207 3.743 3.960 -0.016 0.000 0.324 538 G C 1.426 176.307 174.900 -0.031 0.000 1.195 538 G CA 1.897 46.963 45.100 -0.056 0.000 0.976 538 G HN 1.881 nan 8.290 nan 0.000 0.546 539 A N -0.232 122.569 122.820 -0.032 0.000 1.884 539 A HA -0.143 4.168 4.320 -0.016 0.000 0.219 539 A C 2.021 179.593 177.584 -0.021 0.000 1.197 539 A CA 2.847 54.869 52.037 -0.026 0.000 0.637 539 A CB -0.902 18.080 19.000 -0.030 0.000 0.827 539 A HN 0.753 nan 8.150 nan 0.000 0.450 540 D N -0.232 120.153 120.400 -0.025 0.000 2.271 540 D HA -0.089 4.541 4.640 -0.016 0.000 0.207 540 D C 0.584 176.881 176.300 -0.005 0.000 0.983 540 D CA 0.823 54.807 54.000 -0.026 0.000 0.878 540 D CB -0.278 40.499 40.800 -0.037 0.000 0.920 540 D HN 0.492 nan 8.370 nan 0.000 0.479 541 I N 2.006 122.587 120.570 0.019 0.000 2.291 541 I HA -0.022 4.138 4.170 -0.016 0.000 0.292 541 I C 1.635 177.775 176.117 0.039 0.000 1.064 541 I CA -0.430 60.903 61.300 0.055 0.000 1.269 541 I CB 1.752 39.844 38.000 0.154 0.000 1.418 541 I HN -0.227 nan 8.210 nan 0.000 0.485 542 V N 3.290 123.212 119.914 0.013 0.000 3.129 542 V HA 0.359 4.470 4.120 -0.016 0.000 0.259 542 V C 0.805 176.907 176.094 0.014 0.000 1.116 542 V CA 0.632 62.934 62.300 0.003 0.000 1.127 542 V CB -0.305 31.508 31.823 -0.017 0.000 0.742 542 V HN 0.710 nan 8.190 nan 0.000 0.474 543 A N -0.902 121.933 122.820 0.025 0.000 2.517 543 A HA 0.644 4.954 4.320 -0.016 0.000 0.297 543 A C -1.978 175.655 177.584 0.081 0.000 1.050 543 A CA -0.343 51.715 52.037 0.036 0.000 0.694 543 A CB 1.631 20.621 19.000 -0.017 0.000 1.277 543 A HN 0.524 nan 8.150 nan 0.000 0.400 544 W N 2.849 124.109 121.300 -0.067 0.000 3.326 544 W HA 0.565 5.216 4.660 -0.016 0.000 0.333 544 W C -1.230 175.274 176.519 -0.025 0.000 1.108 544 W CA -0.312 56.991 57.345 -0.069 0.000 1.245 544 W CB 1.595 31.012 29.460 -0.073 0.000 1.331 544 W HN 1.076 nan 8.180 nan 0.000 0.464 545 E N 1.846 122.099 120.200 0.088 0.000 2.416 545 E HA 0.172 4.513 4.350 -0.016 0.000 0.280 545 E C -0.363 176.323 176.600 0.144 0.000 1.055 545 E CA -0.633 55.891 56.400 0.206 0.000 0.825 545 E CB 1.515 31.283 29.700 0.113 0.000 1.312 545 E HN 0.108 nan 8.360 nan 0.000 0.452 546 D N 0.284 120.792 120.400 0.181 0.000 2.170 546 D HA -0.211 4.419 4.640 -0.016 0.000 0.193 546 D C 1.587 177.949 176.300 0.103 0.000 1.004 546 D CA 2.910 56.992 54.000 0.137 0.000 0.860 546 D CB 0.129 40.962 40.800 0.055 0.000 0.931 546 D HN 0.584 nan 8.370 nan 0.000 0.448 547 T N -3.317 111.291 114.554 0.091 0.000 3.092 547 T HA 0.187 4.527 4.350 -0.016 0.000 0.258 547 T C 0.277 175.034 174.700 0.096 0.000 1.031 547 T CA -0.526 61.617 62.100 0.070 0.000 0.925 547 T CB 0.365 69.240 68.868 0.012 0.000 1.036 547 T HN 0.164 nan 8.240 nan 0.000 0.544 548 Q N 0.148 119.985 119.800 0.060 0.000 2.468 548 Q HA 0.558 4.888 4.340 -0.016 0.000 0.263 548 Q C -2.321 173.488 176.000 -0.318 0.000 0.979 548 Q CA -0.749 54.984 55.803 -0.115 0.000 0.932 548 Q CB 1.770 30.454 28.738 -0.090 0.000 1.462 548 Q HN 0.475 nan 8.270 nan 0.000 0.403 549 I N 2.791 123.076 120.570 -0.475 0.000 2.569 549 I HA 0.318 4.478 4.170 -0.016 0.000 0.290 549 I C -0.960 174.945 176.117 -0.353 0.000 1.088 549 I CA -0.603 60.355 61.300 -0.570 0.000 1.047 549 I CB 2.370 39.728 38.000 -1.070 0.000 1.237 549 I HN 0.529 nan 8.210 nan 0.000 0.421 550 Q N 5.453 125.126 119.800 -0.211 0.000 2.348 550 Q HA 0.650 4.980 4.340 -0.016 0.000 0.265 550 Q C -1.308 174.638 176.000 -0.090 0.000 0.998 550 Q CA -0.623 55.100 55.803 -0.132 0.000 0.831 550 Q CB 3.080 31.767 28.738 -0.084 0.000 1.251 550 Q HN 0.375 nan 8.270 nan 0.000 0.456 551 V N 2.676 122.543 119.914 -0.078 0.000 2.789 551 V HA 0.331 4.441 4.120 -0.016 0.000 0.311 551 V C -0.520 175.574 176.094 0.001 0.000 1.073 551 V CA -1.065 61.222 62.300 -0.020 0.000 0.921 551 V CB 2.307 34.131 31.823 0.002 0.000 1.009 551 V HN 0.652 nan 8.190 nan 0.000 0.426 552 K N 3.908 124.293 120.400 -0.024 0.000 2.322 552 K HA 0.510 4.820 4.320 -0.016 0.000 0.283 552 K C -0.440 176.052 176.600 -0.181 0.000 1.042 552 K CA -0.228 56.016 56.287 -0.073 0.000 0.958 552 K CB 1.006 33.459 32.500 -0.078 0.000 0.984 552 K HN 0.494 nan 8.250 nan 0.000 0.473 553 I N 5.152 125.577 120.570 -0.242 0.000 2.683 553 I HA 0.003 4.163 4.170 -0.016 0.000 0.286 553 I C -1.895 173.908 176.117 -0.523 0.000 1.175 553 I CA -1.783 59.185 61.300 -0.554 0.000 1.429 553 I CB 0.183 38.026 38.000 -0.260 0.000 1.371 553 I HN 0.326 nan 8.210 nan 0.000 0.569 554 P HA 0.047 nan 4.420 nan 0.000 0.273 554 P C -0.549 176.569 177.300 -0.303 0.000 1.250 554 P CA -0.428 62.403 63.100 -0.450 0.000 0.793 554 P CB 0.573 31.981 31.700 -0.487 0.000 1.011 555 A N 0.954 123.663 122.820 -0.186 0.000 3.135 555 A HA 0.373 4.683 4.320 -0.016 0.000 0.253 555 A C 0.330 177.860 177.584 -0.089 0.000 1.638 555 A CA -0.287 51.680 52.037 -0.117 0.000 1.295 555 A CB -1.445 17.510 19.000 -0.075 0.000 1.106 555 A HN 0.379 nan 8.150 nan 0.000 0.648 556 V N -2.498 117.339 119.914 -0.128 0.000 2.837 556 V HA 0.646 4.756 4.120 -0.016 0.000 0.310 556 V C -2.501 173.607 176.094 0.023 0.000 1.059 556 V CA -2.426 59.842 62.300 -0.055 0.000 1.004 556 V CB 0.498 32.243 31.823 -0.130 0.000 1.045 556 V HN 0.347 nan 8.190 nan 0.000 0.465 557 P HA 0.298 nan 4.420 nan 0.000 0.270 557 P C 0.344 177.774 177.300 0.218 0.000 1.223 557 P CA 0.413 63.595 63.100 0.138 0.000 0.785 557 P CB 0.193 31.977 31.700 0.139 0.000 0.923 558 G N -0.077 108.820 108.800 0.162 0.000 2.544 558 G HA2 0.497 4.447 3.960 -0.016 0.000 0.242 558 G HA3 0.497 4.447 3.960 -0.016 0.000 0.242 558 G C 0.045 175.085 174.900 0.233 0.000 1.247 558 G CA 0.349 45.563 45.100 0.190 0.000 0.840 558 G HN 0.785 nan 8.290 nan 0.000 0.578 559 G N -0.209 108.758 108.800 0.279 0.000 2.356 559 G HA2 0.308 4.258 3.960 -0.016 0.000 0.288 559 G HA3 0.308 4.258 3.960 -0.016 0.000 0.288 559 G C -1.209 173.791 174.900 0.166 0.000 1.302 559 G CA -0.942 44.237 45.100 0.131 0.000 0.887 559 G HN 0.608 nan 8.290 nan 0.000 0.521 560 I N 0.415 120.963 120.570 -0.037 0.000 2.440 560 I HA 0.623 4.784 4.170 -0.016 0.000 0.294 560 I C -0.519 175.509 176.117 -0.147 0.000 0.995 560 I CA -0.571 60.752 61.300 0.039 0.000 1.306 560 I CB 0.822 38.829 38.000 0.011 0.000 1.407 560 I HN 0.490 nan 8.210 nan 0.000 0.501 561 Y N 2.246 122.680 120.300 0.223 0.000 2.581 561 Y HA 0.371 4.911 4.550 -0.016 0.000 0.345 561 Y C -0.538 175.495 175.900 0.220 0.000 1.036 561 Y CA -1.041 57.204 58.100 0.242 0.000 1.042 561 Y CB 1.590 40.264 38.460 0.357 0.000 1.289 561 Y HN 0.494 nan 8.280 nan 0.000 0.471 562 D N 1.774 122.350 120.400 0.293 0.000 2.185 562 D HA 0.572 5.202 4.640 -0.016 0.000 0.247 562 D C -1.026 175.349 176.300 0.125 0.000 1.027 562 D CA -0.480 53.629 54.000 0.182 0.000 0.861 562 D CB 1.857 42.720 40.800 0.105 0.000 1.202 562 D HN 0.476 nan 8.370 nan 0.000 0.453 563 I N -1.383 119.205 120.570 0.031 0.000 2.569 563 I HA 0.683 4.843 4.170 -0.016 0.000 0.296 563 I C -0.972 175.113 176.117 -0.054 0.000 1.028 563 I CA -0.661 60.531 61.300 -0.181 0.000 1.082 563 I CB 1.784 39.459 38.000 -0.542 0.000 1.264 563 I HN 0.216 nan 8.210 nan 0.000 0.429 564 R N 4.004 124.496 120.500 -0.012 0.000 2.771 564 R HA 0.812 5.142 4.340 -0.016 0.000 0.274 564 R C -2.076 174.333 176.300 0.180 0.000 0.987 564 R CA -0.927 55.228 56.100 0.091 0.000 0.908 564 R CB 2.505 32.840 30.300 0.058 0.000 1.213 564 R HN 0.633 nan 8.270 nan 0.000 0.468 565 V N 2.168 122.183 119.914 0.168 0.000 2.444 565 V HA 0.736 4.846 4.120 -0.016 0.000 0.294 565 V C -1.114 175.161 176.094 0.303 0.000 1.022 565 V CA -0.358 62.044 62.300 0.170 0.000 0.850 565 V CB 1.581 33.397 31.823 -0.011 0.000 0.992 565 V HN 0.872 nan 8.190 nan 0.000 0.426 566 A N 5.883 128.923 122.820 0.367 0.000 2.285 566 A HA 0.679 4.989 4.320 -0.016 0.000 0.310 566 A C 0.023 177.794 177.584 0.312 0.000 1.266 566 A CA -0.759 51.480 52.037 0.337 0.000 0.832 566 A CB 0.462 19.707 19.000 0.408 0.000 1.163 566 A HN 0.979 nan 8.150 nan 0.000 0.499 567 N N 2.411 121.299 118.700 0.313 0.000 2.288 567 N HA 0.256 4.986 4.740 -0.016 0.000 0.237 567 N C 1.251 176.785 175.510 0.040 0.000 1.311 567 N CA 0.298 53.517 53.050 0.283 0.000 0.909 567 N CB 0.294 38.955 38.487 0.289 0.000 1.167 567 N HN 0.545 nan 8.380 nan 0.000 0.476 568 A N 0.511 123.276 122.820 -0.091 0.000 1.881 568 A HA -0.180 4.131 4.320 -0.016 0.000 0.219 568 A C 2.261 179.812 177.584 -0.056 0.000 1.215 568 A CA 3.234 55.186 52.037 -0.142 0.000 0.648 568 A CB -1.723 17.178 19.000 -0.166 0.000 0.832 568 A HN 1.008 nan 8.150 nan 0.000 0.455 569 A N -2.501 120.310 122.820 -0.016 0.000 2.019 569 A HA 0.297 4.608 4.320 -0.016 0.000 0.219 569 A C 2.061 179.656 177.584 0.017 0.000 1.164 569 A CA 1.937 53.974 52.037 0.000 0.000 0.644 569 A CB -0.861 18.145 19.000 0.011 0.000 0.805 569 A HN 2.160 nan 8.150 nan 0.000 0.449 570 G N -3.212 105.611 108.800 0.040 0.000 2.164 570 G HA2 0.253 4.203 3.960 -0.016 0.000 0.154 570 G HA3 0.253 4.203 3.960 -0.016 0.000 0.154 570 G C 0.192 175.140 174.900 0.080 0.000 1.014 570 G CA 0.066 45.203 45.100 0.062 0.000 0.683 570 G HN 1.473 nan 8.290 nan 0.000 0.500 571 A N 0.304 123.174 122.820 0.083 0.000 2.362 571 A HA 0.877 5.187 4.320 -0.016 0.000 0.276 571 A C 0.786 178.436 177.584 0.110 0.000 1.153 571 A CA 0.832 52.915 52.037 0.077 0.000 0.813 571 A CB 0.639 19.674 19.000 0.058 0.000 1.081 571 A HN 1.984 nan 8.150 nan 0.000 0.507 572 A N 2.736 125.609 122.820 0.089 0.000 2.316 572 A HA 0.654 4.964 4.320 -0.016 0.000 0.284 572 A C 0.888 178.517 177.584 0.074 0.000 1.115 572 A CA 0.161 52.258 52.037 0.100 0.000 0.812 572 A CB 0.185 19.211 19.000 0.044 0.000 1.064 572 A HN 1.607 nan 8.150 nan 0.000 0.489 573 S N 1.344 117.102 115.700 0.097 0.000 2.690 573 S HA 0.434 4.894 4.470 -0.016 0.000 0.285 573 S C 0.221 174.851 174.600 0.050 0.000 1.135 573 S CA -0.255 57.987 58.200 0.070 0.000 1.020 573 S CB 0.026 63.303 63.200 0.128 0.000 1.159 573 S HN 1.009 nan 8.310 nan 0.000 0.534 574 N N -0.855 117.874 118.700 0.049 0.000 2.399 574 N HA 0.349 5.079 4.740 -0.016 0.000 0.250 574 N C -0.919 174.647 175.510 0.094 0.000 1.272 574 N CA -0.643 52.442 53.050 0.059 0.000 0.928 574 N CB -0.131 38.398 38.487 0.071 0.000 1.158 574 N HN 0.498 nan 8.380 nan 0.000 0.463 575 I N 0.167 120.786 120.570 0.082 0.000 2.396 575 I HA 0.175 4.335 4.170 -0.016 0.000 0.292 575 I C -0.805 175.398 176.117 0.143 0.000 0.999 575 I CA -0.317 61.037 61.300 0.090 0.000 1.310 575 I CB 0.390 38.416 38.000 0.043 0.000 1.404 575 I HN 0.527 nan 8.210 nan 0.000 0.496 576 Y N 4.433 124.752 120.300 0.032 0.000 2.376 576 Y HA 0.400 4.939 4.550 -0.017 0.000 0.326 576 Y C -0.376 175.565 175.900 0.070 0.000 0.970 576 Y CA -0.712 57.419 58.100 0.051 0.000 1.248 576 Y CB 1.077 39.559 38.460 0.037 0.000 1.117 576 Y HN 0.687 nan 8.280 nan 0.000 0.476 577 D N 1.978 122.357 120.400 -0.036 0.000 2.387 577 D HA 0.294 4.924 4.640 -0.016 0.000 0.255 577 D C -0.215 176.126 176.300 0.068 0.000 1.081 577 D CA 0.046 54.076 54.000 0.049 0.000 0.994 577 D CB 0.757 41.564 40.800 0.011 0.000 1.127 577 D HN 0.524 nan 8.370 nan 0.000 0.513 578 N N -0.051 118.725 118.700 0.126 0.000 2.995 578 N HA -0.201 4.529 4.740 -0.016 0.000 0.247 578 N C -1.534 174.081 175.510 0.174 0.000 1.129 578 N CA 0.109 53.229 53.050 0.117 0.000 0.721 578 N CB -1.668 36.852 38.487 0.056 0.000 1.079 578 N HN 0.326 nan 8.380 nan 0.000 0.553 579 F N 1.532 121.586 119.950 0.174 0.000 2.411 579 F HA 0.449 4.966 4.527 -0.016 0.000 0.350 579 F C 0.590 176.533 175.800 0.238 0.000 1.114 579 F CA -0.467 57.658 58.000 0.208 0.000 1.135 579 F CB 0.845 39.987 39.000 0.238 0.000 1.120 579 F HN 0.078 nan 8.300 nan 0.000 0.495 580 E N 5.677 125.568 120.200 -0.514 0.000 2.151 580 E HA 0.475 4.815 4.350 -0.016 0.000 0.275 580 E C -1.476 174.992 176.600 -0.220 0.000 0.936 580 E CA -0.922 55.367 56.400 -0.184 0.000 0.777 580 E CB 1.582 31.196 29.700 -0.144 0.000 1.108 580 E HN 0.546 nan 8.360 nan 0.000 0.401 581 V N 3.350 123.337 119.914 0.122 0.000 2.328 581 V HA 0.377 4.487 4.120 -0.016 0.000 0.278 581 V C -0.478 175.661 176.094 0.076 0.000 1.021 581 V CA -1.027 61.345 62.300 0.120 0.000 0.838 581 V CB 0.672 32.569 31.823 0.123 0.000 0.999 581 V HN 0.500 nan 8.190 nan 0.000 0.447 582 L N 4.907 126.142 121.223 0.020 0.000 2.485 582 L HA 0.279 4.610 4.340 -0.016 0.000 0.275 582 L C 1.898 178.784 176.870 0.027 0.000 1.207 582 L CA 0.777 55.626 54.840 0.014 0.000 0.855 582 L CB 0.408 42.461 42.059 -0.011 0.000 1.114 582 L HN 0.863 nan 8.230 nan 0.000 0.485 583 T N 0.965 115.538 114.554 0.032 0.000 3.007 583 T HA 0.210 4.550 4.350 -0.016 0.000 0.270 583 T C 0.855 175.566 174.700 0.019 0.000 1.107 583 T CA 1.062 63.181 62.100 0.032 0.000 1.118 583 T CB -0.069 68.819 68.868 0.034 0.000 0.889 583 T HN 0.881 nan 8.240 nan 0.000 0.506 584 G N -0.048 108.759 108.800 0.012 0.000 2.393 584 G HA2 0.280 4.230 3.960 -0.016 0.000 0.264 584 G HA3 0.280 4.230 3.960 -0.016 0.000 0.264 584 G C -2.144 172.756 174.900 0.001 0.000 1.221 584 G CA -0.823 44.281 45.100 0.006 0.000 0.912 584 G HN 0.052 nan 8.290 nan 0.000 0.483 585 D N 0.949 121.350 120.400 0.001 0.000 2.339 585 D HA 0.398 5.028 4.640 -0.016 0.000 0.245 585 D C -0.188 176.111 176.300 -0.001 0.000 1.115 585 D CA 0.270 54.268 54.000 -0.005 0.000 0.917 585 D CB 1.198 41.997 40.800 -0.002 0.000 1.192 585 D HN 0.181 nan 8.370 nan 0.000 0.428 586 Q N 0.481 120.272 119.800 -0.014 0.000 2.266 586 Q HA 0.546 4.876 4.340 -0.016 0.000 0.261 586 Q C -0.236 175.767 176.000 0.006 0.000 0.985 586 Q CA -0.958 54.842 55.803 -0.005 0.000 0.873 586 Q CB 2.380 31.098 28.738 -0.033 0.000 1.306 586 Q HN 0.358 nan 8.270 nan 0.000 0.447 587 V N -1.810 118.128 119.914 0.040 0.000 3.007 587 V HA 0.680 4.790 4.120 -0.016 0.000 0.311 587 V C -0.393 175.764 176.094 0.106 0.000 1.120 587 V CA -0.815 61.527 62.300 0.070 0.000 0.980 587 V CB 2.041 33.913 31.823 0.082 0.000 1.033 587 V HN 0.660 nan 8.190 nan 0.000 0.429 588 T N 3.031 117.674 114.554 0.148 0.000 2.771 588 T HA 0.651 4.992 4.350 -0.016 0.000 0.291 588 T C -0.258 174.545 174.700 0.171 0.000 0.954 588 T CA -0.216 62.000 62.100 0.193 0.000 1.045 588 T CB 1.186 70.239 68.868 0.308 0.000 0.917 588 T HN 0.728 nan 8.240 nan 0.000 0.484 589 V N 3.910 123.908 119.914 0.140 0.000 2.628 589 V HA 0.526 4.636 4.120 -0.016 0.000 0.306 589 V C 0.171 176.213 176.094 -0.086 0.000 1.045 589 V CA -1.094 61.190 62.300 -0.027 0.000 0.905 589 V CB 1.942 33.661 31.823 -0.174 0.000 0.997 589 V HN 0.753 nan 8.190 nan 0.000 0.436 590 R N 3.638 124.042 120.500 -0.159 0.000 2.229 590 R HA 0.516 4.847 4.340 -0.016 0.000 0.332 590 R C -1.568 174.598 176.300 -0.223 0.000 0.989 590 R CA -0.312 55.776 56.100 -0.021 0.000 0.842 590 R CB 0.558 30.929 30.300 0.119 0.000 1.119 590 R HN 0.514 nan 8.270 nan 0.000 0.456 591 F N 3.619 123.618 119.950 0.081 0.000 2.404 591 F HA 0.437 4.954 4.527 -0.016 0.000 0.339 591 F C -0.142 175.745 175.800 0.145 0.000 1.105 591 F CA -0.738 57.317 58.000 0.092 0.000 1.087 591 F CB 2.028 41.099 39.000 0.120 0.000 1.143 591 F HN 0.093 nan 8.300 nan 0.000 0.491 592 V N 4.827 124.869 119.914 0.212 0.000 2.524 592 V HA 0.376 4.486 4.120 -0.016 0.000 0.297 592 V C -1.058 175.012 176.094 -0.040 0.000 1.035 592 V CA -0.630 61.662 62.300 -0.013 0.000 0.867 592 V CB 1.907 33.519 31.823 -0.352 0.000 1.004 592 V HN 0.551 nan 8.190 nan 0.000 0.426 593 I N 5.521 126.005 120.570 -0.144 0.000 2.355 593 I HA 0.547 4.707 4.170 -0.016 0.000 0.288 593 I C -0.050 176.028 176.117 -0.064 0.000 0.999 593 I CA -0.008 61.120 61.300 -0.286 0.000 1.163 593 I CB 1.328 38.771 38.000 -0.928 0.000 1.316 593 I HN 0.557 nan 8.210 nan 0.000 0.454 594 N N 5.559 124.252 118.700 -0.011 0.000 2.483 594 N HA 0.189 4.919 4.740 -0.016 0.000 0.269 594 N C -0.217 175.306 175.510 0.021 0.000 1.209 594 N CA -0.058 53.004 53.050 0.019 0.000 0.969 594 N CB 0.380 38.885 38.487 0.030 0.000 1.173 594 N HN 0.682 nan 8.380 nan 0.000 0.475 595 N N -1.856 116.820 118.700 -0.039 0.000 2.686 595 N HA -0.219 4.511 4.740 -0.016 0.000 0.261 595 N C -1.061 174.319 175.510 -0.217 0.000 1.001 595 N CA 0.779 53.764 53.050 -0.110 0.000 0.764 595 N CB -1.637 36.814 38.487 -0.059 0.000 0.898 595 N HN 0.582 nan 8.380 nan 0.000 0.544 596 A N -0.108 122.581 122.820 -0.218 0.000 2.801 596 A HA 0.555 4.866 4.320 -0.016 0.000 0.344 596 A C 0.663 178.167 177.584 -0.133 0.000 1.322 596 A CA -0.166 51.635 52.037 -0.394 0.000 0.913 596 A CB -0.053 18.713 19.000 -0.390 0.000 1.140 596 A HN 0.556 nan 8.150 nan 0.000 0.487 597 T N 0.365 114.808 114.554 -0.186 0.000 2.913 597 T HA 0.552 4.893 4.350 -0.016 0.000 0.297 597 T C 0.287 175.076 174.700 0.149 0.000 1.029 597 T CA 0.171 62.326 62.100 0.090 0.000 1.104 597 T CB 1.007 69.901 68.868 0.043 0.000 0.964 597 T HN 0.906 nan 8.240 nan 0.000 0.532 598 T N -1.643 113.105 114.554 0.324 0.000 2.916 598 T HA 0.666 5.006 4.350 -0.016 0.000 0.298 598 T C -0.252 174.505 174.700 0.095 0.000 1.031 598 T CA -1.006 61.193 62.100 0.164 0.000 0.993 598 T CB 1.359 70.361 68.868 0.222 0.000 1.045 598 T HN 0.982 nan 8.240 nan 0.000 0.454 599 A N 5.136 127.987 122.820 0.052 0.000 2.438 599 A HA 0.455 4.765 4.320 -0.016 0.000 0.280 599 A C 0.921 178.522 177.584 0.029 0.000 1.160 599 A CA -0.646 51.410 52.037 0.032 0.000 0.821 599 A CB -0.425 18.589 19.000 0.023 0.000 1.101 599 A HN 1.027 nan 8.150 nan 0.000 0.515 600 L N 2.536 123.765 121.223 0.011 0.000 3.187 600 L HA -0.185 4.145 4.340 -0.016 0.000 0.348 600 L C 1.390 178.274 176.870 0.023 0.000 1.142 600 L CA 2.801 57.644 54.840 0.005 0.000 0.826 600 L CB -1.011 41.042 42.059 -0.010 0.000 1.209 600 L HN 1.592 nan 8.230 nan 0.000 0.589 601 G N 2.989 111.812 108.800 0.038 0.000 2.284 601 G HA2 -0.294 3.657 3.960 -0.016 0.000 0.230 601 G HA3 -0.294 3.657 3.960 -0.016 0.000 0.230 601 G C 0.414 175.359 174.900 0.075 0.000 1.021 601 G CA 0.393 45.523 45.100 0.051 0.000 0.619 601 G HN 0.688 nan 8.290 nan 0.000 0.510 602 Q N 1.117 120.960 119.800 0.071 0.000 2.304 602 Q HA 0.510 4.840 4.340 -0.016 0.000 0.260 602 Q C -0.585 175.473 176.000 0.097 0.000 0.965 602 Q CA -0.219 55.627 55.803 0.073 0.000 0.898 602 Q CB 0.300 29.066 28.738 0.046 0.000 1.196 602 Q HN 0.406 nan 8.270 nan 0.000 0.402 603 N N 1.911 120.654 118.700 0.072 0.000 2.262 603 N HA 0.381 5.111 4.740 -0.016 0.000 0.295 603 N C -1.422 173.852 175.510 -0.393 0.000 1.161 603 N CA -0.458 52.506 53.050 -0.145 0.000 0.767 603 N CB 2.156 40.587 38.487 -0.093 0.000 1.499 603 N HN 0.280 nan 8.380 nan 0.000 0.476 604 V N 1.978 121.181 119.914 -1.186 0.000 2.509 604 V HA 0.546 4.656 4.120 -0.016 0.000 0.284 604 V C -0.557 175.153 176.094 -0.640 0.000 1.047 604 V CA -0.069 61.722 62.300 -0.848 0.000 0.952 604 V CB 0.031 31.028 31.823 -1.377 0.000 0.988 604 V HN 0.463 nan 8.190 nan 0.000 0.469 605 F N 3.969 123.812 119.950 -0.179 0.000 2.643 605 F HA 0.772 5.289 4.527 -0.016 0.000 0.314 605 F C -0.434 175.366 175.800 -0.000 0.000 1.096 605 F CA -1.027 56.898 58.000 -0.125 0.000 0.953 605 F CB 1.896 40.793 39.000 -0.171 0.000 1.345 605 F HN 0.335 nan 8.300 nan 0.000 0.468 606 L N 0.067 121.341 121.223 0.085 0.000 2.333 606 L HA 0.943 5.273 4.340 -0.016 0.000 0.263 606 L C -0.868 175.903 176.870 -0.165 0.000 1.014 606 L CA -0.563 54.167 54.840 -0.184 0.000 0.820 606 L CB 1.162 42.886 42.059 -0.560 0.000 1.352 606 L HN 0.677 nan 8.230 nan 0.000 0.421 607 T N -0.109 114.336 114.554 -0.182 0.000 2.853 607 T HA 0.862 5.203 4.350 -0.016 0.000 0.311 607 T C -0.593 173.873 174.700 -0.391 0.000 1.307 607 T CA 0.278 62.267 62.100 -0.184 0.000 1.019 607 T CB 1.739 70.618 68.868 0.018 0.000 1.264 607 T HN 1.425 nan 8.240 nan 0.000 0.497 608 G N 1.373 109.784 108.800 -0.648 0.000 2.827 608 G HA2 0.422 4.372 3.960 -0.016 0.000 0.296 608 G HA3 0.422 4.372 3.960 -0.016 0.000 0.296 608 G C 0.232 174.327 174.900 -1.341 0.000 1.362 608 G CA -0.251 44.227 45.100 -1.036 0.000 0.809 608 G HN 0.715 nan 8.290 nan 0.000 0.522 609 N N -0.996 117.134 118.700 -0.949 0.000 2.461 609 N HA -0.025 4.705 4.740 -0.016 0.000 0.188 609 N C 0.796 176.189 175.510 -0.195 0.000 1.134 609 N CA 0.812 53.564 53.050 -0.496 0.000 0.878 609 N CB -0.082 38.476 38.487 0.119 0.000 0.972 609 N HN 0.667 nan 8.380 nan 0.000 0.456 610 V N -3.460 116.346 119.914 -0.180 0.000 2.850 610 V HA 0.431 4.542 4.120 -0.016 0.000 0.315 610 V C 1.604 177.652 176.094 -0.077 0.000 1.064 610 V CA -0.491 61.766 62.300 -0.072 0.000 0.979 610 V CB 1.173 32.985 31.823 -0.020 0.000 1.039 610 V HN 0.056 nan 8.190 nan 0.000 0.452 611 S N 1.067 116.755 115.700 -0.020 0.000 2.407 611 S HA -0.210 4.250 4.470 -0.016 0.000 0.235 611 S C 1.603 176.197 174.600 -0.010 0.000 1.036 611 S CA 2.179 60.378 58.200 -0.003 0.000 1.013 611 S CB -0.474 62.750 63.200 0.040 0.000 0.820 611 S HN 0.936 nan 8.310 nan 0.000 0.476 612 E N 0.440 120.634 120.200 -0.009 0.000 2.106 612 E HA -0.050 4.290 4.350 -0.016 0.000 0.192 612 E C 1.594 178.178 176.600 -0.026 0.000 0.984 612 E CA 0.687 57.089 56.400 0.004 0.000 0.806 612 E CB -0.459 29.254 29.700 0.022 0.000 0.750 612 E HN 0.457 nan 8.360 nan 0.000 0.458 613 L N -0.358 120.809 121.223 -0.094 0.000 2.611 613 L HA 0.227 4.558 4.340 -0.016 0.000 0.229 613 L C 1.432 178.202 176.870 -0.167 0.000 1.137 613 L CA 1.014 55.754 54.840 -0.168 0.000 0.901 613 L CB 0.054 41.950 42.059 -0.272 0.000 1.098 613 L HN 0.333 nan 8.230 nan 0.000 0.456 614 G N -0.438 108.295 108.800 -0.111 0.000 2.254 614 G HA2 -0.336 3.614 3.960 -0.016 0.000 0.225 614 G HA3 -0.336 3.614 3.960 -0.016 0.000 0.225 614 G C 0.667 175.517 174.900 -0.083 0.000 1.003 614 G CA 0.051 45.104 45.100 -0.080 0.000 0.622 614 G HN 0.339 nan 8.290 nan 0.000 0.507 615 N N -1.505 117.085 118.700 -0.184 0.000 2.753 615 N HA -0.169 4.562 4.740 -0.016 0.000 0.252 615 N C 0.583 176.088 175.510 -0.009 0.000 1.071 615 N CA 1.212 54.161 53.050 -0.168 0.000 0.690 615 N CB -1.474 36.997 38.487 -0.027 0.000 0.906 615 N HN 1.120 nan 8.380 nan 0.000 0.552 616 W N -2.048 119.290 121.300 0.064 0.000 5.271 616 W HA -0.283 4.368 4.660 -0.016 0.000 0.364 616 W C 0.203 176.814 176.519 0.153 0.000 1.342 616 W CA 0.589 57.993 57.345 0.097 0.000 0.899 616 W CB -1.261 28.204 29.460 0.009 0.000 2.450 616 W HN 0.475 nan 8.180 nan 0.000 1.508 617 D N -1.108 119.451 120.400 0.265 0.000 2.462 617 D HA 0.330 4.960 4.640 -0.016 0.000 0.245 617 D C -1.368 174.984 176.300 0.087 0.000 1.122 617 D CA -2.356 51.754 54.000 0.183 0.000 0.864 617 D CB 1.623 42.482 40.800 0.097 0.000 1.098 617 D HN -0.309 nan 8.370 nan 0.000 0.541 618 P HA -0.048 nan 4.420 nan 0.000 0.229 618 P C 0.214 177.388 177.300 -0.210 0.000 1.150 618 P CA 0.772 63.774 63.100 -0.164 0.000 0.765 618 P CB 0.244 31.800 31.700 -0.240 0.000 0.783 619 N N -1.667 116.967 118.700 -0.110 0.000 2.424 619 N HA 0.016 4.747 4.740 -0.016 0.000 0.178 619 N C 0.602 176.058 175.510 -0.090 0.000 1.060 619 N CA 0.524 53.507 53.050 -0.111 0.000 0.901 619 N CB -0.092 38.359 38.487 -0.059 0.000 0.979 619 N HN 0.051 nan 8.380 nan 0.000 0.451 620 N N 0.268 118.929 118.700 -0.065 0.000 2.553 620 N HA 0.259 4.990 4.740 -0.016 0.000 0.298 620 N C -1.086 174.399 175.510 -0.043 0.000 1.596 620 N CA -0.015 53.011 53.050 -0.040 0.000 0.910 620 N CB 1.186 39.663 38.487 -0.017 0.000 1.336 620 N HN 0.070 nan 8.380 nan 0.000 0.497 621 A N 0.671 123.446 122.820 -0.076 0.000 2.279 621 A HA 0.563 4.873 4.320 -0.016 0.000 0.303 621 A C 0.177 177.780 177.584 0.030 0.000 1.108 621 A CA -0.362 51.644 52.037 -0.052 0.000 0.830 621 A CB 0.871 19.802 19.000 -0.115 0.000 1.106 621 A HN 0.143 nan 8.150 nan 0.000 0.493 622 I N 1.456 122.040 120.570 0.023 0.000 2.325 622 I HA 0.577 4.738 4.170 -0.016 0.000 0.291 622 I C 0.852 176.940 176.117 -0.049 0.000 1.019 622 I CA 0.852 62.157 61.300 0.008 0.000 1.302 622 I CB -0.085 37.911 38.000 -0.005 0.000 1.401 622 I HN 0.913 nan 8.210 nan 0.000 0.485 623 G N 7.765 116.471 108.800 -0.156 0.000 2.324 623 G HA2 0.356 4.306 3.960 -0.016 0.000 0.293 623 G HA3 0.356 4.306 3.960 -0.016 0.000 0.293 623 G C -3.303 171.370 174.900 -0.378 0.000 1.297 623 G CA -0.725 44.029 45.100 -0.577 0.000 0.853 623 G HN 0.312 nan 8.290 nan 0.000 0.535 624 P HA 0.436 nan 4.420 nan 0.000 0.271 624 P C 0.134 177.034 177.300 -0.667 0.000 1.218 624 P CA -0.055 62.530 63.100 -0.859 0.000 0.780 624 P CB 0.494 31.980 31.700 -0.357 0.000 0.901 625 M N 1.565 120.864 119.600 -0.501 0.000 2.247 625 M HA 0.243 4.713 4.480 -0.016 0.000 0.326 625 M C -0.072 176.333 176.300 0.175 0.000 1.134 625 M CA -0.182 54.942 55.300 -0.293 0.000 1.136 625 M CB 0.268 32.862 32.600 -0.009 0.000 1.454 625 M HN 0.262 nan 8.290 nan 0.000 0.467 626 Y N 1.446 121.717 120.300 -0.048 0.000 2.300 626 Y HA 0.218 4.758 4.550 -0.016 0.000 0.328 626 Y C 0.650 176.426 175.900 -0.206 0.000 1.270 626 Y CA -1.192 56.758 58.100 -0.249 0.000 1.352 626 Y CB 0.294 38.380 38.460 -0.623 0.000 1.286 626 Y HN 0.685 nan 8.280 nan 0.000 0.536 627 N N -1.121 117.571 118.700 -0.013 0.000 2.498 627 N HA 0.135 4.865 4.740 -0.016 0.000 0.272 627 N C -0.599 174.872 175.510 -0.065 0.000 1.534 627 N CA -0.190 52.773 53.050 -0.145 0.000 0.873 627 N CB -0.047 37.948 38.487 -0.819 0.000 1.415 627 N HN 0.587 nan 8.380 nan 0.000 0.496 628 Q N -0.940 118.879 119.800 0.032 0.000 2.534 628 Q HA 0.384 4.714 4.340 -0.016 0.000 0.207 628 Q C 1.176 177.110 176.000 -0.109 0.000 0.735 628 Q CA 0.199 55.968 55.803 -0.058 0.000 0.904 628 Q CB 0.642 29.321 28.738 -0.098 0.000 1.294 628 Q HN 0.042 nan 8.270 nan 0.000 0.553 629 V N 0.565 120.379 119.914 -0.167 0.000 2.284 629 V HA -0.128 3.982 4.120 -0.016 0.000 0.236 629 V C 2.080 177.792 176.094 -0.636 0.000 1.044 629 V CA 1.475 63.542 62.300 -0.388 0.000 1.019 629 V CB -0.503 31.045 31.823 -0.458 0.000 0.657 629 V HN 0.154 nan 8.190 nan 0.000 0.465 630 V N -1.623 117.781 119.914 -0.850 0.000 2.287 630 V HA -0.169 3.941 4.120 -0.016 0.000 0.248 630 V C 0.846 176.369 176.094 -0.951 0.000 1.053 630 V CA 1.675 63.354 62.300 -1.035 0.000 1.027 630 V CB -0.635 30.459 31.823 -1.215 0.000 0.646 630 V HN 0.486 nan 8.190 nan 0.000 0.447 631 Y N -1.558 118.322 120.300 -0.701 0.000 2.570 631 Y HA 0.670 5.210 4.550 -0.016 0.000 0.345 631 Y C -0.171 175.651 175.900 -0.129 0.000 1.014 631 Y CA -1.127 56.783 58.100 -0.318 0.000 1.063 631 Y CB 1.676 39.997 38.460 -0.231 0.000 1.272 631 Y HN 0.034 nan 8.280 nan 0.000 0.477 632 Q N 0.385 120.222 119.800 0.063 0.000 2.377 632 Q HA 0.308 4.638 4.340 -0.016 0.000 0.271 632 Q C -1.464 174.520 176.000 -0.026 0.000 1.077 632 Q CA -1.016 54.790 55.803 0.004 0.000 0.820 632 Q CB 1.728 30.455 28.738 -0.019 0.000 1.347 632 Q HN 0.572 nan 8.270 nan 0.000 0.444 633 Y N 3.827 124.001 120.300 -0.211 0.000 2.805 633 Y HA 0.070 4.611 4.550 -0.016 0.000 0.337 633 Y C -1.419 174.415 175.900 -0.110 0.000 1.252 633 Y CA -0.820 57.115 58.100 -0.275 0.000 1.515 633 Y CB 0.711 38.970 38.460 -0.335 0.000 1.305 633 Y HN 0.521 nan 8.280 nan 0.000 0.600 634 P HA 0.098 nan 4.420 nan 0.000 0.220 634 P C -1.119 175.997 177.300 -0.306 0.000 1.793 634 P CA -0.004 62.404 63.100 -1.153 0.000 0.917 634 P CB -0.169 30.896 31.700 -1.057 0.000 1.755 635 T N 0.849 115.296 114.554 -0.177 0.000 2.892 635 T HA 0.307 4.648 4.350 -0.016 0.000 0.311 635 T C -0.697 174.060 174.700 0.096 0.000 1.033 635 T CA -0.257 61.862 62.100 0.033 0.000 0.991 635 T CB 0.391 69.290 68.868 0.053 0.000 0.981 635 T HN 0.036 nan 8.240 nan 0.000 0.457 636 W N 3.239 124.540 121.300 0.001 0.000 2.415 636 W HA 0.691 5.341 4.660 -0.016 0.000 0.355 636 W C -0.256 176.332 176.519 0.116 0.000 1.161 636 W CA -0.818 56.578 57.345 0.086 0.000 1.315 636 W CB 0.482 29.941 29.460 -0.003 0.000 1.261 636 W HN 0.656 nan 8.180 nan 0.000 0.636 637 Y N -1.141 119.305 120.300 0.243 0.000 2.624 637 Y HA 0.718 5.258 4.550 -0.016 0.000 0.334 637 Y C -2.075 174.024 175.900 0.332 0.000 1.155 637 Y CA -2.789 55.405 58.100 0.156 0.000 1.046 637 Y CB 1.201 39.651 38.460 -0.017 0.000 1.316 637 Y HN 0.565 nan 8.280 nan 0.000 0.457 638 Y N 0.674 121.030 120.300 0.094 0.000 2.521 638 Y HA 0.374 4.914 4.550 -0.016 0.000 0.328 638 Y C -1.767 174.268 175.900 0.225 0.000 1.151 638 Y CA -1.076 57.011 58.100 -0.021 0.000 1.054 638 Y CB 1.838 40.245 38.460 -0.089 0.000 1.338 638 Y HN 0.776 nan 8.280 nan 0.000 0.453 639 D N 4.331 124.593 120.400 -0.230 0.000 2.412 639 D HA 0.447 5.077 4.640 -0.016 0.000 0.224 639 D C -1.011 175.319 176.300 0.050 0.000 1.093 639 D CA 0.140 54.163 54.000 0.039 0.000 0.850 639 D CB 1.451 42.330 40.800 0.133 0.000 1.046 639 D HN 0.251 nan 8.370 nan 0.000 0.507 640 V N 0.474 120.545 119.914 0.262 0.000 2.604 640 V HA 0.415 4.525 4.120 -0.016 0.000 0.305 640 V C 0.696 176.947 176.094 0.260 0.000 1.043 640 V CA -1.055 61.414 62.300 0.283 0.000 0.888 640 V CB 1.968 33.972 31.823 0.302 0.000 0.995 640 V HN 0.328 nan 8.190 nan 0.000 0.429 641 S N 2.231 118.042 115.700 0.185 0.000 2.568 641 S HA 0.587 5.047 4.470 -0.016 0.000 0.282 641 S C -0.213 174.468 174.600 0.136 0.000 1.338 641 S CA -0.128 58.148 58.200 0.127 0.000 1.045 641 S CB 0.631 63.867 63.200 0.061 0.000 0.873 641 S HN 1.371 nan 8.310 nan 0.000 0.516 642 V N 1.903 121.888 119.914 0.118 0.000 3.120 642 V HA 0.603 4.714 4.120 -0.016 0.000 0.303 642 V C -3.123 173.018 176.094 0.079 0.000 1.238 642 V CA -2.686 59.685 62.300 0.117 0.000 1.008 642 V CB 1.242 33.180 31.823 0.191 0.000 1.064 642 V HN 0.576 nan 8.190 nan 0.000 0.434 643 P HA 0.398 nan 4.420 nan 0.000 0.271 643 P C -0.070 177.253 177.300 0.039 0.000 1.220 643 P CA 0.474 63.599 63.100 0.041 0.000 0.768 643 P CB 0.692 32.413 31.700 0.036 0.000 0.848 644 A N 3.787 126.624 122.820 0.027 0.000 2.498 644 A HA 0.439 4.749 4.320 -0.016 0.000 0.239 644 A C 1.514 179.100 177.584 0.003 0.000 1.068 644 A CA 0.501 52.550 52.037 0.019 0.000 0.766 644 A CB -1.135 17.875 19.000 0.017 0.000 1.003 644 A HN 0.849 nan 8.150 nan 0.000 0.497 645 G N 0.781 109.572 108.800 -0.015 0.000 2.258 645 G HA2 -0.238 3.713 3.960 -0.016 0.000 0.274 645 G HA3 -0.238 3.713 3.960 -0.016 0.000 0.274 645 G C 0.180 175.059 174.900 -0.034 0.000 1.021 645 G CA 0.958 46.038 45.100 -0.033 0.000 0.798 645 G HN 0.943 nan 8.290 nan 0.000 0.507 646 Q N -0.836 118.945 119.800 -0.031 0.000 2.297 646 Q HA 0.569 4.899 4.340 -0.016 0.000 0.268 646 Q C -0.409 175.576 176.000 -0.025 0.000 1.045 646 Q CA -0.505 55.291 55.803 -0.012 0.000 0.861 646 Q CB 1.469 30.219 28.738 0.019 0.000 1.344 646 Q HN 0.188 nan 8.270 nan 0.000 0.452 647 T N 2.827 117.386 114.554 0.010 0.000 2.753 647 T HA 0.433 4.774 4.350 -0.016 0.000 0.297 647 T C 0.040 174.807 174.700 0.112 0.000 0.981 647 T CA -0.388 61.735 62.100 0.038 0.000 0.956 647 T CB -0.165 68.727 68.868 0.040 0.000 0.936 647 T HN 0.398 nan 8.240 nan 0.000 0.463 648 I N 0.206 120.895 120.570 0.198 0.000 2.707 648 I HA 0.738 4.899 4.170 -0.016 0.000 0.309 648 I C -0.358 175.985 176.117 0.376 0.000 1.001 648 I CA -1.014 60.443 61.300 0.260 0.000 1.129 648 I CB 1.887 40.053 38.000 0.276 0.000 1.308 648 I HN 0.383 nan 8.210 nan 0.000 0.466 649 E N 3.390 123.789 120.200 0.331 0.000 2.238 649 E HA 0.646 4.986 4.350 -0.016 0.000 0.267 649 E C -1.436 175.378 176.600 0.356 0.000 0.887 649 E CA -0.546 56.054 56.400 0.332 0.000 0.769 649 E CB 2.556 32.466 29.700 0.350 0.000 1.187 649 E HN 0.621 nan 8.360 nan 0.000 0.416 650 F N -0.073 119.965 119.950 0.147 0.000 3.129 650 F HA 0.719 5.236 4.527 -0.016 0.000 0.326 650 F C -1.111 174.759 175.800 0.117 0.000 1.202 650 F CA -1.002 56.971 58.000 -0.045 0.000 0.929 650 F CB 1.618 40.467 39.000 -0.252 0.000 1.473 650 F HN 0.289 nan 8.300 nan 0.000 0.512 651 K N -0.291 120.174 120.400 0.109 0.000 2.931 651 K HA 0.454 4.765 4.320 -0.016 0.000 0.292 651 K C -2.461 174.070 176.600 -0.116 0.000 1.077 651 K CA -0.659 55.651 56.287 0.038 0.000 0.829 651 K CB 1.731 34.394 32.500 0.270 0.000 1.488 651 K HN 0.623 nan 8.250 nan 0.000 0.358 652 F N 1.636 121.680 119.950 0.157 0.000 2.523 652 F HA 0.622 5.139 4.527 -0.016 0.000 0.329 652 F C -0.366 175.512 175.800 0.130 0.000 1.061 652 F CA -0.895 57.192 58.000 0.144 0.000 0.967 652 F CB 1.510 40.617 39.000 0.180 0.000 1.218 652 F HN 0.333 nan 8.300 nan 0.000 0.480 653 L N -0.115 121.288 121.223 0.299 0.000 2.505 653 L HA 0.626 4.956 4.340 -0.016 0.000 0.266 653 L C -1.216 175.744 176.870 0.149 0.000 0.954 653 L CA -0.965 53.922 54.840 0.079 0.000 0.852 653 L CB 1.680 43.420 42.059 -0.531 0.000 1.282 653 L HN 0.431 nan 8.230 nan 0.000 0.403 654 K N 2.113 122.615 120.400 0.170 0.000 2.168 654 K HA 0.527 4.837 4.320 -0.016 0.000 0.258 654 K C -0.707 175.895 176.600 0.003 0.000 1.010 654 K CA -0.625 55.695 56.287 0.055 0.000 0.929 654 K CB 0.990 33.484 32.500 -0.010 0.000 0.998 654 K HN 0.642 nan 8.250 nan 0.000 0.479 655 K N 1.882 122.312 120.400 0.050 0.000 2.652 655 K HA 0.080 4.391 4.320 -0.016 0.000 0.249 655 K C -1.308 175.294 176.600 0.004 0.000 0.986 655 K CA -0.235 56.016 56.287 -0.059 0.000 0.867 655 K CB 1.347 33.662 32.500 -0.309 0.000 1.201 655 K HN 0.440 nan 8.250 nan 0.000 0.450 656 Q N 2.837 122.620 119.800 -0.027 0.000 2.571 656 Q HA 0.200 4.530 4.340 -0.016 0.000 0.222 656 Q C 0.748 176.735 176.000 -0.021 0.000 1.167 656 Q CA 0.555 56.355 55.803 -0.005 0.000 0.966 656 Q CB 1.032 29.767 28.738 -0.004 0.000 1.274 656 Q HN 1.016 nan 8.270 nan 0.000 0.552 657 G N 1.713 110.505 108.800 -0.013 0.000 4.230 657 G HA2 -0.392 3.558 3.960 -0.016 0.000 0.340 657 G HA3 -0.392 3.558 3.960 -0.016 0.000 0.340 657 G C 0.664 175.528 174.900 -0.059 0.000 1.315 657 G CA 0.788 45.873 45.100 -0.024 0.000 1.033 657 G HN 0.540 nan 8.290 nan 0.000 0.741 658 S N 1.177 116.845 115.700 -0.053 0.000 2.754 658 S HA 0.478 4.938 4.470 -0.016 0.000 0.247 658 S C -0.105 174.455 174.600 -0.067 0.000 1.031 658 S CA 0.680 58.841 58.200 -0.065 0.000 1.014 658 S CB 1.044 64.219 63.200 -0.042 0.000 0.918 658 S HN 1.049 nan 8.310 nan 0.000 0.519 659 T N 1.354 115.864 114.554 -0.073 0.000 2.809 659 T HA 0.463 4.803 4.350 -0.016 0.000 0.296 659 T C -0.195 174.433 174.700 -0.119 0.000 1.015 659 T CA -0.555 61.505 62.100 -0.066 0.000 0.954 659 T CB 1.548 70.397 68.868 -0.031 0.000 0.950 659 T HN -0.041 nan 8.240 nan 0.000 0.450 660 V N 4.298 124.114 119.914 -0.164 0.000 2.353 660 V HA 0.255 4.366 4.120 -0.016 0.000 0.264 660 V C 0.543 176.472 176.094 -0.275 0.000 1.049 660 V CA -0.540 61.559 62.300 -0.334 0.000 0.896 660 V CB 0.220 31.750 31.823 -0.488 0.000 1.025 660 V HN 1.003 nan 8.190 nan 0.000 0.475 661 T N 4.868 119.311 114.554 -0.185 0.000 2.811 661 T HA 0.272 4.612 4.350 -0.016 0.000 0.309 661 T C -0.290 174.449 174.700 0.065 0.000 1.005 661 T CA -0.244 61.861 62.100 0.008 0.000 0.955 661 T CB -0.086 68.837 68.868 0.091 0.000 0.970 661 T HN 0.590 nan 8.240 nan 0.000 0.496 662 W N 2.336 123.705 121.300 0.115 0.000 2.238 662 W HA 0.263 4.913 4.660 -0.016 0.000 0.321 662 W C 1.056 177.590 176.519 0.026 0.000 1.293 662 W CA -0.798 56.587 57.345 0.066 0.000 1.204 662 W CB 0.515 29.981 29.460 0.010 0.000 1.167 662 W HN 0.602 nan 8.180 nan 0.000 0.553 663 E N 1.842 122.155 120.200 0.189 0.000 2.408 663 E HA 0.253 4.593 4.350 -0.016 0.000 0.259 663 E C 0.867 177.397 176.600 -0.116 0.000 1.110 663 E CA 0.041 56.260 56.400 -0.301 0.000 0.929 663 E CB 0.640 29.975 29.700 -0.608 0.000 0.971 663 E HN 0.584 nan 8.360 nan 0.000 0.438 664 G N 1.350 110.044 108.800 -0.177 0.000 2.546 664 G HA2 0.412 4.362 3.960 -0.016 0.000 0.239 664 G HA3 0.412 4.362 3.960 -0.016 0.000 0.239 664 G C 0.670 175.497 174.900 -0.122 0.000 1.476 664 G CA 0.057 45.103 45.100 -0.090 0.000 1.064 664 G HN 0.940 nan 8.290 nan 0.000 0.561 665 G N -0.480 108.264 108.800 -0.093 0.000 2.634 665 G HA2 0.245 4.195 3.960 -0.016 0.000 0.318 665 G HA3 0.245 4.195 3.960 -0.016 0.000 0.318 665 G C 0.446 175.274 174.900 -0.119 0.000 1.207 665 G CA 1.895 46.939 45.100 -0.094 0.000 0.987 665 G HN 2.231 nan 8.290 nan 0.000 0.547 666 A N -1.191 121.552 122.820 -0.129 0.000 2.593 666 A HA 0.700 5.010 4.320 -0.016 0.000 0.290 666 A C -0.313 177.177 177.584 -0.156 0.000 1.126 666 A CA 0.254 52.199 52.037 -0.153 0.000 0.695 666 A CB 0.787 19.714 19.000 -0.122 0.000 1.290 666 A HN 1.193 nan 8.150 nan 0.000 0.414 667 N N 1.279 119.879 118.700 -0.166 0.000 2.353 667 N HA 0.140 4.870 4.740 -0.016 0.000 0.248 667 N C -0.336 175.076 175.510 -0.163 0.000 1.240 667 N CA 0.473 53.463 53.050 -0.100 0.000 0.862 667 N CB 0.146 38.645 38.487 0.019 0.000 1.086 667 N HN 0.512 nan 8.380 nan 0.000 0.453 668 R N 1.056 121.327 120.500 -0.381 0.000 2.297 668 R HA 0.317 4.647 4.340 -0.016 0.000 0.308 668 R C -0.232 175.771 176.300 -0.495 0.000 1.029 668 R CA -0.314 55.444 56.100 -0.570 0.000 0.929 668 R CB 0.743 30.434 30.300 -1.015 0.000 1.046 668 R HN 0.469 nan 8.270 nan 0.000 0.461 669 T N 3.099 117.602 114.554 -0.085 0.000 2.929 669 T HA 0.547 4.887 4.350 -0.016 0.000 0.284 669 T C -0.955 173.998 174.700 0.422 0.000 1.014 669 T CA -0.248 61.957 62.100 0.176 0.000 1.051 669 T CB 0.762 69.707 68.868 0.129 0.000 1.028 669 T HN 0.408 nan 8.240 nan 0.000 0.485 670 F N 0.980 121.125 119.950 0.326 0.000 2.650 670 F HA 0.443 4.961 4.527 -0.016 0.000 0.310 670 F C -1.203 174.717 175.800 0.200 0.000 1.112 670 F CA -0.686 57.494 58.000 0.301 0.000 0.986 670 F CB 1.528 40.804 39.000 0.461 0.000 1.285 670 F HN 0.456 nan 8.300 nan 0.000 0.440 671 T N 3.385 117.583 114.554 -0.593 0.000 2.874 671 T HA 0.351 4.691 4.350 -0.016 0.000 0.321 671 T C -0.069 174.115 174.700 -0.861 0.000 1.075 671 T CA -0.416 61.384 62.100 -0.500 0.000 0.966 671 T CB 0.387 69.115 68.868 -0.232 0.000 1.001 671 T HN 0.814 nan 8.240 nan 0.000 0.476 672 T N 3.310 117.478 114.554 -0.644 0.000 2.906 672 T HA 0.207 4.547 4.350 -0.016 0.000 0.320 672 T C -2.153 172.431 174.700 -0.193 0.000 1.088 672 T CA -1.177 60.696 62.100 -0.378 0.000 1.120 672 T CB 0.138 68.987 68.868 -0.032 0.000 1.000 672 T HN 0.232 nan 8.240 nan 0.000 0.550 673 P HA 0.180 nan 4.420 nan 0.000 0.274 673 P C 0.984 178.284 177.300 -0.000 0.000 1.256 673 P CA -0.416 62.670 63.100 -0.023 0.000 0.795 673 P CB 0.637 32.356 31.700 0.032 0.000 1.038 674 T N -3.358 111.200 114.554 0.006 0.000 3.067 674 T HA 0.116 4.456 4.350 -0.016 0.000 0.257 674 T C 0.852 175.567 174.700 0.025 0.000 1.105 674 T CA 0.403 62.510 62.100 0.012 0.000 1.104 674 T CB -0.404 68.469 68.868 0.009 0.000 0.925 674 T HN 0.650 nan 8.240 nan 0.000 0.498 675 S N -1.231 114.492 115.700 0.038 0.000 2.643 675 S HA 0.701 5.161 4.470 -0.016 0.000 0.270 675 S C 0.422 175.066 174.600 0.073 0.000 1.166 675 S CA -0.485 57.746 58.200 0.052 0.000 0.815 675 S CB 1.176 64.403 63.200 0.045 0.000 1.139 675 S HN 1.267 nan 8.310 nan 0.000 0.472 676 G N 0.786 109.643 108.800 0.095 0.000 2.552 676 G HA2 0.094 4.044 3.960 -0.016 0.000 0.265 676 G HA3 0.094 4.044 3.960 -0.016 0.000 0.265 676 G C 0.025 175.007 174.900 0.136 0.000 1.234 676 G CA 0.723 45.893 45.100 0.117 0.000 0.944 676 G HN 2.222 nan 8.290 nan 0.000 0.568 677 T N -2.462 112.170 114.554 0.130 0.000 2.831 677 T HA 1.011 5.351 4.350 -0.016 0.000 0.287 677 T C -0.143 174.631 174.700 0.124 0.000 1.070 677 T CA 0.401 62.585 62.100 0.140 0.000 1.010 677 T CB 1.782 70.740 68.868 0.150 0.000 1.264 677 T HN 2.627 nan 8.240 nan 0.000 0.532 678 A N 0.211 123.103 122.820 0.121 0.000 2.605 678 A HA 0.724 5.035 4.320 -0.016 0.000 0.294 678 A C -0.766 176.834 177.584 0.027 0.000 1.062 678 A CA -0.883 51.233 52.037 0.132 0.000 0.682 678 A CB 1.393 20.560 19.000 0.279 0.000 1.278 678 A HN 0.880 nan 8.150 nan 0.000 0.410 679 T N 1.178 115.729 114.554 -0.005 0.000 2.824 679 T HA 0.577 4.917 4.350 -0.016 0.000 0.282 679 T C -0.792 173.785 174.700 -0.204 0.000 0.993 679 T CA -0.365 61.676 62.100 -0.098 0.000 0.967 679 T CB 1.359 70.238 68.868 0.020 0.000 0.960 679 T HN 0.733 nan 8.240 nan 0.000 0.441 680 V N 3.956 123.645 119.914 -0.375 0.000 2.370 680 V HA 0.462 4.572 4.120 -0.016 0.000 0.283 680 V C -0.043 176.008 176.094 -0.072 0.000 1.023 680 V CA -0.877 61.217 62.300 -0.343 0.000 0.857 680 V CB 1.240 32.686 31.823 -0.627 0.000 0.985 680 V HN 0.850 nan 8.190 nan 0.000 0.443 681 N N 3.116 121.823 118.700 0.011 0.000 2.524 681 N HA 0.667 5.398 4.740 -0.016 0.000 0.261 681 N C -0.871 174.699 175.510 0.100 0.000 0.998 681 N CA -0.424 52.654 53.050 0.046 0.000 0.915 681 N CB 1.692 40.205 38.487 0.044 0.000 1.187 681 N HN 0.668 nan 8.380 nan 0.000 0.507 682 V N 0.530 120.522 119.914 0.131 0.000 2.914 682 V HA 0.679 4.789 4.120 -0.016 0.000 0.314 682 V C -0.541 175.612 176.094 0.098 0.000 1.084 682 V CA -0.945 61.447 62.300 0.152 0.000 0.963 682 V CB 2.039 34.031 31.823 0.281 0.000 1.025 682 V HN 0.467 nan 8.190 nan 0.000 0.432 683 N N 2.218 120.981 118.700 0.105 0.000 2.399 683 N HA 0.322 5.052 4.740 -0.016 0.000 0.295 683 N C -0.690 174.917 175.510 0.163 0.000 1.048 683 N CA -0.540 52.580 53.050 0.118 0.000 0.886 683 N CB 1.407 39.955 38.487 0.101 0.000 1.185 683 N HN 0.982 nan 8.380 nan 0.000 0.487 684 W N 2.921 124.213 121.300 -0.013 0.000 2.435 684 W HA -0.058 4.592 4.660 -0.016 0.000 0.337 684 W C -0.463 176.082 176.519 0.043 0.000 1.300 684 W CA 0.290 57.641 57.345 0.010 0.000 1.298 684 W CB 0.272 29.725 29.460 -0.013 0.000 1.217 684 W HN 0.392 nan 8.180 nan 0.000 0.565 685 Q N 7.336 126.951 119.800 -0.309 0.000 2.294 685 Q HA 0.151 4.481 4.340 -0.016 0.000 0.257 685 Q C -1.701 174.155 176.000 -0.239 0.000 0.955 685 Q CA -1.583 54.099 55.803 -0.202 0.000 0.936 685 Q CB 0.870 29.481 28.738 -0.212 0.000 1.188 685 Q HN 0.205 nan 8.270 nan 0.000 0.420 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.198 63.100 0.164 0.000 0.800 686 P CB 0.000 31.773 31.700 0.122 0.000 0.726